NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
483067 |
1uwo   |
5377 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uwo
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 445
_Distance_constraint_stats_list.Viol_count 180
_Distance_constraint_stats_list.Viol_total 1051.281
_Distance_constraint_stats_list.Viol_max 1.483
_Distance_constraint_stats_list.Viol_rms 0.0650
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0059
_Distance_constraint_stats_list.Viol_average_violations_only 0.2920
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 LEU 0.190 0.190 15 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 HIS 0.591 0.109 11 0 "[ . 1 . 2]"
1 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 0.333 0.045 9 0 "[ . 1 . 2]"
1 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 1.052 0.390 7 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.023 0.009 4 0 "[ . 1 . 2]"
1 57 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 CYS 6.345 0.650 13 7 "[ - .****1 + * 2]"
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 14.741 1.483 15 13 "[-* **** *1 *+* ***]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.478 0.044 20 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 1.443 0.445 13 0 "[ . 1 . 2]"
1 90 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 HIS 0.620 0.118 11 0 "[ . 1 . 2]"
2 16 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 ARG 0.396 0.045 17 0 "[ . 1 . 2]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 33 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 LEU 2.050 0.471 15 0 "[ . 1 . 2]"
2 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 41 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 42 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 45 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 50 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 VAL 0.021 0.015 1 0 "[ . 1 . 2]"
2 57 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 THR 0.013 0.013 15 0 "[ . 1 . 2]"
2 60 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 63 ASP 0.194 0.079 14 0 "[ . 1 . 2]"
2 68 CYS 7.228 0.663 8 7 "[** - *+ 1 * * 2]"
2 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 GLN 14.717 1.436 3 14 "[* +*.* *** ****** -]"
2 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 VAL 0.442 0.038 15 0 "[ . 1 . 2]"
2 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 GLU 1.688 0.379 19 0 "[ . 1 . 2]"
2 90 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 MET H 1 7 MET HA 2.660 . 3.560 2.918 2.765 2.954 . 0 0 "[ . 1 . 2]" 1
2 1 7 MET H 1 7 MET QB 3.060 . 4.370 2.275 2.092 2.655 . 0 0 "[ . 1 . 2]" 1
3 1 76 PHE H 1 76 PHE HA 2.710 . 3.670 2.884 2.844 2.927 . 0 0 "[ . 1 . 2]" 1
4 1 76 PHE H 1 76 PHE QB 3.060 . 4.370 2.193 2.044 2.432 . 0 0 "[ . 1 . 2]" 1
5 1 79 MET H 1 79 MET HA 2.770 . 3.790 2.914 2.866 2.941 . 0 0 "[ . 1 . 2]" 1
6 1 79 MET H 1 79 MET QB 2.960 . 4.170 2.500 2.324 2.664 . 0 0 "[ . 1 . 2]" 1
7 1 84 CYS H 1 84 CYS HA 2.740 . 3.730 2.912 2.826 2.956 . 0 0 "[ . 1 . 2]" 1
8 1 84 CYS H 1 84 CYS QB 3.000 . 4.250 2.281 2.239 2.340 . 0 0 "[ . 1 . 2]" 1
9 1 10 LEU H 1 10 LEU HA 2.700 . 3.650 2.795 2.761 2.908 . 0 0 "[ . 1 . 2]" 1
10 1 10 LEU H 1 10 LEU QB 3.060 . 4.370 2.252 2.065 2.608 . 0 0 "[ . 1 . 2]" 1
11 1 69 ASP H 1 69 ASP HA 2.940 . 4.130 2.990 2.967 2.995 . 0 0 "[ . 1 . 2]" 1
12 1 85 HIS H 1 85 HIS HA 2.880 . 4.000 2.844 2.769 2.905 . 0 0 "[ . 1 . 2]" 1
13 1 85 HIS H 1 85 HIS QB 2.770 . 3.790 2.175 2.066 2.327 . 0 0 "[ . 1 . 2]" 1
14 1 13 VAL HA 1 13 VAL HB 2.770 . 3.840 2.955 2.787 3.010 . 0 0 "[ . 1 . 2]" 1
15 1 13 VAL H 1 13 VAL HA 2.840 . 3.940 2.930 2.853 2.954 . 0 0 "[ . 1 . 2]" 1
16 1 13 VAL H 1 13 VAL HB 2.830 . 3.920 2.199 2.082 2.258 . 0 0 "[ . 1 . 2]" 1
17 1 55 LYS H 1 55 LYS HA 2.800 . 3.850 2.919 2.867 2.951 . 0 0 "[ . 1 . 2]" 1
18 1 55 LYS H 1 55 LYS QB 2.980 . 4.210 2.218 2.080 2.491 . 0 0 "[ . 1 . 2]" 1
19 1 62 ASN H 1 62 ASN QB 2.670 . 3.600 2.294 2.145 2.456 . 0 0 "[ . 1 . 2]" 1
20 1 70 PHE HA 1 70 PHE HB3 2.880 . 4.060 2.906 2.805 2.962 . 0 0 "[ . 1 . 2]" 1
21 1 70 PHE HA 1 70 PHE HB2 2.880 . 4.050 2.773 2.687 2.885 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU HA 1 3 LEU HG 3.250 . 4.790 2.770 2.210 3.645 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU H 1 3 LEU HA 2.940 . 4.130 2.885 2.769 2.926 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU H 1 3 LEU QB 3.240 . 4.730 2.365 2.149 2.688 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU H 1 3 LEU HG 3.070 . 4.390 3.369 1.870 4.580 0.190 15 0 "[ . 1 . 2]" 1
26 1 32 LEU HA 1 32 LEU HG 3.850 . 6.000 2.734 2.049 3.588 . 0 0 "[ . 1 . 2]" 1
27 1 32 LEU H 1 32 LEU HG 3.590 . 5.450 2.362 1.860 3.772 . 0 0 "[ . 1 . 2]" 1
28 1 35 LEU HA 1 35 LEU HG 3.140 . 4.580 2.685 1.955 3.590 . 0 0 "[ . 1 . 2]" 1
29 1 35 LEU H 1 35 LEU HA 2.930 . 4.110 2.800 2.746 2.903 . 0 0 "[ . 1 . 2]" 1
30 1 35 LEU H 1 35 LEU QB 2.790 . 3.830 2.229 2.056 2.577 . 0 0 "[ . 1 . 2]" 1
31 1 35 LEU H 1 35 LEU HG 2.960 . 4.170 3.435 1.917 4.560 0.390 7 0 "[ . 1 . 2]" 1
32 1 40 LEU HA 1 40 LEU HG 2.730 . 3.750 2.620 2.032 3.593 . 0 0 "[ . 1 . 2]" 1
33 1 40 LEU H 1 40 LEU HA 2.780 . 3.810 2.931 2.753 2.993 . 0 0 "[ . 1 . 2]" 1
34 1 46 GLU HA 1 46 GLU QG 3.210 . 4.720 2.412 1.988 3.313 . 0 0 "[ . 1 . 2]" 1
35 1 46 GLU H 1 46 GLU QB 2.860 . 3.970 2.864 2.212 3.479 . 0 0 "[ . 1 . 2]" 1
36 1 46 GLU H 1 46 GLU QG 3.120 . 4.500 3.426 2.235 4.420 . 0 0 "[ . 1 . 2]" 1
37 1 47 ILE HA 1 47 ILE HB 2.940 . 4.170 3.008 2.961 3.032 . 0 0 "[ . 1 . 2]" 1
38 1 47 ILE HA 1 47 ILE QG 3.110 . 4.520 2.094 1.993 2.310 . 0 0 "[ . 1 . 2]" 1
39 1 47 ILE H 1 47 ILE HA 2.720 . 3.690 2.657 2.339 2.994 . 0 0 "[ . 1 . 2]" 1
40 1 47 ILE H 1 47 ILE HB 3.020 . 4.290 3.161 2.210 3.859 . 0 0 "[ . 1 . 2]" 1
41 1 47 ILE H 1 47 ILE QG 3.450 . 5.200 2.439 1.841 2.827 . 0 0 "[ . 1 . 2]" 1
42 1 50 GLN H 1 50 GLN QB 2.740 . 3.710 3.221 2.606 3.516 . 0 0 "[ . 1 . 2]" 1
43 1 50 GLN HA 1 50 GLN QG 3.310 . 4.910 2.617 1.919 3.456 . 0 0 "[ . 1 . 2]" 1
44 1 50 GLN H 1 50 GLN QG 3.450 . 5.200 2.922 2.172 4.223 . 0 0 "[ . 1 . 2]" 1
45 1 52 VAL HA 1 52 VAL HB 2.970 . 4.240 2.999 2.972 3.021 . 0 0 "[ . 1 . 2]" 1
46 1 52 VAL HA 1 52 VAL QG 2.910 . 4.120 1.988 1.924 2.095 . 0 0 "[ . 1 . 2]" 1
47 1 52 VAL H 1 52 VAL HA 2.940 . 4.130 2.955 2.931 2.972 . 0 0 "[ . 1 . 2]" 1
48 1 52 VAL H 1 52 VAL HB 3.290 . 4.840 2.827 2.687 2.957 . 0 0 "[ . 1 . 2]" 1
49 1 52 VAL H 1 52 VAL QG 3.600 . 5.500 2.027 1.834 2.210 . 0 0 "[ . 1 . 2]" 1
50 1 59 THR HA 1 59 THR HB 2.840 . 3.980 2.872 2.555 3.036 . 0 0 "[ . 1 . 2]" 1
51 1 59 THR HA 1 59 THR HG1 3.010 . 4.320 2.403 2.035 2.857 . 0 0 "[ . 1 . 2]" 1
52 1 59 THR H 1 59 THR HB 2.750 . 3.750 2.428 2.346 2.698 . 0 0 "[ . 1 . 2]" 1
53 1 59 THR H 1 59 THR HG1 3.100 . 4.450 2.639 1.917 3.364 . 0 0 "[ . 1 . 2]" 1
54 1 68 CYS HA 1 68 CYS HG 2.880 . 4.060 3.565 2.994 4.058 . 0 0 "[ . 1 . 2]" 1
55 1 68 CYS H 1 68 CYS HG 2.980 . 4.210 4.352 2.477 4.860 0.650 13 7 "[ - .****1 + * 2]" 1
56 1 73 PHE H 1 73 PHE HA 2.900 . 4.050 2.864 2.808 2.910 . 0 0 "[ . 1 . 2]" 1
57 1 87 PHE H 1 87 PHE HA 2.930 . 4.110 2.828 2.764 2.933 . 0 0 "[ . 1 . 2]" 1
58 1 87 PHE H 1 87 PHE QB 2.910 . 4.070 2.161 2.071 2.297 . 0 0 "[ . 1 . 2]" 1
59 1 90 HIS H 1 90 HIS HA 2.790 . 3.830 2.830 2.346 2.987 . 0 0 "[ . 1 . 2]" 1
60 1 90 HIS H 1 90 HIS QB 3.250 . 4.780 2.707 2.145 3.303 . 0 0 "[ . 1 . 2]" 1
61 1 15 HIS HA 1 15 HIS HB3 2.940 . 4.180 2.797 2.511 3.034 . 0 0 "[ . 1 . 2]" 1
62 1 15 HIS HA 1 15 HIS HB2 2.850 . 4.000 2.817 2.414 3.033 . 0 0 "[ . 1 . 2]" 1
63 1 15 HIS HA 1 15 HIS HD1 2.770 . 3.830 2.509 1.907 3.350 . 0 0 "[ . 1 . 2]" 1
64 1 15 HIS H 1 15 HIS HA 2.790 . 3.830 2.917 2.877 2.932 . 0 0 "[ . 1 . 2]" 1
65 1 44 LEU H 1 44 LEU QB 2.770 . 3.790 2.913 2.234 3.389 . 0 0 "[ . 1 . 2]" 1
66 1 71 GLN HA 1 71 GLN QE 2.890 . 4.080 4.808 3.909 5.563 1.483 15 13 "[-* **** *1 *+* ***]" 1
67 1 71 GLN H 1 71 GLN HA 2.810 . 3.870 2.813 2.772 2.861 . 0 0 "[ . 1 . 2]" 1
68 1 71 GLN H 1 71 GLN QB 2.380 . 3.020 2.619 2.328 2.785 . 0 0 "[ . 1 . 2]" 1
69 1 74 MET H 1 74 MET HA 2.830 . 3.900 2.867 2.832 2.891 . 0 0 "[ . 1 . 2]" 1
70 1 74 MET H 1 74 MET QB 2.730 . 3.710 2.187 2.072 2.689 . 0 0 "[ . 1 . 2]" 1
71 1 77 VAL H 1 77 VAL HA 2.750 . 3.750 2.843 2.809 2.894 . 0 0 "[ . 1 . 2]" 1
72 1 88 PHE H 1 88 PHE HA 2.900 . 4.050 2.861 2.763 2.953 . 0 0 "[ . 1 . 2]" 1
73 1 88 PHE H 1 88 PHE QB 2.630 . 3.520 2.215 2.079 2.330 . 0 0 "[ . 1 . 2]" 1
74 1 89 GLU HA 1 89 GLU HB2 2.770 . 3.830 2.740 2.394 3.013 . 0 0 "[ . 1 . 2]" 1
75 1 89 GLU HA 1 89 GLU HB3 2.840 . 3.980 2.752 2.335 3.016 . 0 0 "[ . 1 . 2]" 1
76 1 89 GLU H 1 89 GLU HA 2.790 . 3.830 2.743 2.346 2.992 . 0 0 "[ . 1 . 2]" 1
77 1 89 GLU H 1 89 GLU HB2 2.850 . 3.950 2.890 2.110 3.961 0.011 20 0 "[ . 1 . 2]" 1
78 1 89 GLU H 1 89 GLU HB3 2.720 . 3.690 3.331 2.355 4.135 0.445 13 0 "[ . 1 . 2]" 1
79 1 20 ARG H 1 20 ARG HA 2.330 . 2.910 2.891 2.747 2.955 0.045 9 0 "[ . 1 . 2]" 1
80 1 16 GLN H 1 16 GLN HA 2.750 . 3.750 2.858 2.773 2.925 . 0 0 "[ . 1 . 2]" 1
81 1 16 GLN H 1 16 GLN QB 2.670 . 3.590 2.300 2.258 2.748 . 0 0 "[ . 1 . 2]" 1
82 1 86 GLU H 1 86 GLU HA 2.810 . 3.870 2.902 2.793 2.955 . 0 0 "[ . 1 . 2]" 1
83 1 86 GLU H 1 86 GLU QB 2.980 . 4.210 2.259 2.084 2.650 . 0 0 "[ . 1 . 2]" 1
84 1 48 LYS HA 1 48 LYS QD 3.380 . 5.050 4.002 3.303 4.509 . 0 0 "[ . 1 . 2]" 1
85 1 48 LYS HA 1 48 LYS QG 3.320 . 4.280 3.141 2.555 3.393 . 0 0 "[ . 1 . 2]" 1
86 1 30 SER HA 1 30 SER HG 3.280 . 4.860 3.258 2.266 4.046 . 0 0 "[ . 1 . 2]" 1
87 1 34 GLU HA 1 34 GLU QG 3.010 . 4.320 2.148 1.897 3.229 . 0 0 "[ . 1 . 2]" 1
88 1 34 GLU H 1 34 GLU HA 2.840 . 3.930 2.860 2.775 2.922 . 0 0 "[ . 1 . 2]" 1
89 1 34 GLU H 1 34 GLU QB 2.760 . 3.780 2.112 2.056 2.747 . 0 0 "[ . 1 . 2]" 1
90 1 34 GLU H 1 34 GLU QG 3.710 . 5.710 3.623 1.862 3.810 . 0 0 "[ . 1 . 2]" 1
91 1 49 GLU H 1 49 GLU QB 3.550 . 5.400 2.921 2.285 3.316 . 0 0 "[ . 1 . 2]" 1
92 1 49 GLU HA 1 49 GLU QG 3.370 . 5.040 2.444 1.951 3.304 . 0 0 "[ . 1 . 2]" 1
93 1 6 ALA H 1 6 ALA HA 2.920 . 4.090 2.880 2.845 2.935 . 0 0 "[ . 1 . 2]" 1
94 1 6 ALA H 1 6 ALA MB 2.960 . 4.170 2.220 2.058 2.267 . 0 0 "[ . 1 . 2]" 1
95 1 56 VAL HA 1 56 VAL HB 2.770 . 3.850 2.561 2.422 2.799 . 0 0 "[ . 1 . 2]" 1
96 1 56 VAL H 1 56 VAL HA 2.930 . 4.110 2.844 2.812 2.951 . 0 0 "[ . 1 . 2]" 1
97 1 56 VAL H 1 56 VAL HB 2.690 . 3.630 3.054 2.225 3.592 . 0 0 "[ . 1 . 2]" 1
98 1 56 VAL H 1 56 VAL QG 3.440 . 5.130 2.091 1.741 2.878 0.009 4 0 "[ . 1 . 2]" 1
99 1 11 ILE HA 1 11 ILE HB 2.870 . 4.040 2.885 2.539 3.031 . 0 0 "[ . 1 . 2]" 1
100 1 11 ILE HA 1 11 ILE MD 3.090 . 4.480 3.308 1.997 3.814 . 0 0 "[ . 1 . 2]" 1
101 1 11 ILE H 1 11 ILE HA 3.000 . 4.290 2.844 2.746 2.911 . 0 0 "[ . 1 . 2]" 1
102 1 11 ILE HB 1 11 ILE MD 3.140 . 4.580 2.411 1.955 3.193 . 0 0 "[ . 1 . 2]" 1
103 1 11 ILE H 1 11 ILE HB 3.070 . 4.440 2.413 2.330 2.516 . 0 0 "[ . 1 . 2]" 1
104 1 11 ILE H 1 11 ILE MD 3.060 . 4.410 3.537 1.782 4.341 . 0 0 "[ . 1 . 2]" 1
105 1 28 LYS HA 1 28 LYS QD 3.660 . 5.620 3.986 2.087 4.541 . 0 0 "[ . 1 . 2]" 1
106 1 28 LYS H 1 28 LYS QD 3.880 . 6.000 4.009 2.829 4.799 . 0 0 "[ . 1 . 2]" 1
107 1 4 GLU HA 1 4 GLU HB2 2.830 . 3.960 2.673 2.419 3.002 . 0 0 "[ . 1 . 2]" 1
108 1 4 GLU H 1 4 GLU HA 2.870 . 3.980 2.856 2.811 2.952 . 0 0 "[ . 1 . 2]" 1
109 1 4 GLU H 1 4 GLU HB3 2.930 . 4.160 2.942 2.476 3.553 . 0 0 "[ . 1 . 2]" 1
110 1 4 GLU H 1 4 GLU HB2 3.050 . 4.400 2.318 2.106 2.645 . 0 0 "[ . 1 . 2]" 1
111 1 33 LYS HA 1 33 LYS QD 3.310 . 4.920 3.344 1.873 4.151 . 0 0 "[ . 1 . 2]" 1
112 1 33 LYS H 1 33 LYS HA 2.790 . 3.830 2.757 2.732 2.809 . 0 0 "[ . 1 . 2]" 1
113 1 33 LYS QB 1 33 LYS QD 3.150 . 4.590 2.098 1.878 2.382 . 0 0 "[ . 1 . 2]" 1
114 1 33 LYS H 1 33 LYS QB 2.710 . 3.680 2.259 2.107 2.463 . 0 0 "[ . 1 . 2]" 1
115 1 33 LYS H 1 33 LYS QD 3.540 . 5.380 4.387 3.741 4.759 . 0 0 "[ . 1 . 2]" 1
116 1 36 ILE HA 1 36 ILE MD 3.790 . 5.880 3.139 1.849 3.835 . 0 0 "[ . 1 . 2]" 1
117 1 36 ILE H 1 36 ILE HA 2.900 . 4.050 2.875 2.763 2.967 . 0 0 "[ . 1 . 2]" 1
118 1 36 ILE H 1 36 ILE HB 2.710 . 3.670 2.517 2.282 2.967 . 0 0 "[ . 1 . 2]" 1
119 1 36 ILE H 1 36 ILE MD 3.740 . 5.730 2.835 1.850 3.574 . 0 0 "[ . 1 . 2]" 1
120 1 41 SER H 1 41 SER HA 2.980 . 4.210 2.832 2.350 2.993 . 0 0 "[ . 1 . 2]" 1
121 1 41 SER HA 1 41 SER HG 3.100 . 4.500 3.269 2.130 4.042 . 0 0 "[ . 1 . 2]" 1
122 1 45 GLU H 1 45 GLU QB 3.060 . 4.410 2.705 2.098 3.108 . 0 0 "[ . 1 . 2]" 1
123 1 61 ASP HA 1 61 ASP HB2 2.850 . 4.000 2.753 2.389 3.027 . 0 0 "[ . 1 . 2]" 1
124 1 61 ASP HA 1 61 ASP HB3 2.800 . 3.900 2.673 2.326 3.034 . 0 0 "[ . 1 . 2]" 1
125 1 61 ASP H 1 61 ASP HA 2.850 . 3.950 2.880 2.763 2.956 . 0 0 "[ . 1 . 2]" 1
126 1 61 ASP H 1 61 ASP HB2 2.980 . 4.210 2.707 2.103 3.659 . 0 0 "[ . 1 . 2]" 1
127 1 61 ASP H 1 61 ASP HB3 3.040 . 4.330 3.119 2.366 3.661 . 0 0 "[ . 1 . 2]" 1
128 1 58 GLU HA 1 58 GLU QG 3.330 . 4.950 2.209 1.918 3.406 . 0 0 "[ . 1 . 2]" 1
129 1 58 GLU H 1 58 GLU HA 2.760 . 3.770 2.889 2.825 2.952 . 0 0 "[ . 1 . 2]" 1
130 1 58 GLU H 1 58 GLU QB 2.810 . 3.870 2.178 2.064 2.529 . 0 0 "[ . 1 . 2]" 1
131 1 80 VAL HA 1 80 VAL HB 2.850 . 4.000 2.855 2.737 2.997 . 0 0 "[ . 1 . 2]" 1
132 1 80 VAL HA 1 80 VAL QG 2.980 . 4.260 1.946 1.873 2.116 . 0 0 "[ . 1 . 2]" 1
133 1 80 VAL H 1 80 VAL HA 2.810 . 3.870 2.781 2.751 2.868 . 0 0 "[ . 1 . 2]" 1
134 1 80 VAL H 1 80 VAL HB 2.830 . 3.910 3.410 2.895 3.583 . 0 0 "[ . 1 . 2]" 1
135 1 80 VAL H 1 80 VAL QG 3.060 . 4.370 1.729 1.706 1.791 0.044 20 0 "[ . 1 . 2]" 1
136 1 38 ASN H 1 38 ASN HA 2.860 . 3.970 2.935 2.740 2.993 . 0 0 "[ . 1 . 2]" 1
137 1 38 ASN QB 1 38 ASN HD21 2.960 . 4.210 2.400 2.214 2.858 . 0 0 "[ . 1 . 2]" 1
138 1 38 ASN H 1 38 ASN QB 2.710 . 3.670 2.366 2.094 2.687 . 0 0 "[ . 1 . 2]" 1
139 1 39 GLU H 1 39 GLU QB 2.790 . 3.830 2.678 2.276 3.215 . 0 0 "[ . 1 . 2]" 1
140 1 63 ASP HA 1 63 ASP HB2 2.730 . 3.750 2.831 2.546 3.026 . 0 0 "[ . 1 . 2]" 1
141 1 63 ASP H 1 63 ASP HA 2.960 . 4.170 2.949 2.832 2.993 . 0 0 "[ . 1 . 2]" 1
142 1 63 ASP H 1 63 ASP HB2 2.720 . 3.690 2.742 2.240 3.610 . 0 0 "[ . 1 . 2]" 1
143 1 17 TYR H 1 17 TYR HA 2.810 . 3.870 2.844 2.792 2.985 . 0 0 "[ . 1 . 2]" 1
144 1 17 TYR H 1 17 TYR QB 2.840 . 3.960 2.345 2.273 3.214 . 0 0 "[ . 1 . 2]" 1
145 1 51 GLU HA 1 51 GLU QG 2.980 . 4.260 2.268 1.935 3.217 . 0 0 "[ . 1 . 2]" 1
146 1 72 GLU HA 1 72 GLU QG 3.170 . 4.640 2.974 2.487 3.456 . 0 0 "[ . 1 . 2]" 1
147 1 72 GLU H 1 72 GLU HA 2.980 . 4.210 2.914 2.867 2.935 . 0 0 "[ . 1 . 2]" 1
148 1 72 GLU H 1 72 GLU QB 2.880 . 4.000 2.456 2.036 2.882 . 0 0 "[ . 1 . 2]" 1
149 1 72 GLU H 1 72 GLU QG 3.170 . 4.590 2.560 1.750 3.945 . 0 0 "[ . 1 . 2]" 1
150 1 21 GLU HA 1 21 GLU QG 2.890 . 4.080 2.294 1.897 3.304 . 0 0 "[ . 1 . 2]" 1
151 1 21 GLU H 1 21 GLU HA 2.830 . 3.910 2.942 2.889 2.993 . 0 0 "[ . 1 . 2]" 1
152 1 21 GLU H 1 21 GLU QB 3.320 . 4.890 2.338 2.093 2.829 . 0 0 "[ . 1 . 2]" 1
153 1 21 GLU H 1 21 GLU QG 2.960 . 4.170 3.630 2.184 3.965 . 0 0 "[ . 1 . 2]" 1
154 1 42 HIS H 1 42 HIS HA 3.000 . 4.250 2.895 2.354 2.993 . 0 0 "[ . 1 . 2]" 1
155 1 42 HIS H 1 42 HIS QB 3.050 . 4.370 2.639 2.261 3.510 . 0 0 "[ . 1 . 2]" 1
156 1 60 LEU H 1 60 LEU HA 2.790 . 3.820 2.857 2.725 2.968 . 0 0 "[ . 1 . 2]" 1
157 1 82 THR HA 1 82 THR HB 2.750 . 3.800 2.741 2.596 3.020 . 0 0 "[ . 1 . 2]" 1
158 1 82 THR HA 1 82 THR MG 3.290 . 4.880 2.995 2.519 3.188 . 0 0 "[ . 1 . 2]" 1
159 1 82 THR H 1 82 THR HB 3.270 . 4.830 2.381 2.229 2.505 . 0 0 "[ . 1 . 2]" 1
160 1 82 THR H 1 82 THR MG 3.500 . 5.300 2.786 2.335 3.686 . 0 0 "[ . 1 . 2]" 1
161 1 83 ALA H 1 83 ALA HA 2.870 . 4.040 2.729 2.713 2.742 . 0 0 "[ . 1 . 2]" 1
162 1 14 PHE H 1 14 PHE HA 2.950 . 4.150 2.878 2.821 2.946 . 0 0 "[ . 1 . 2]" 1
163 1 53 VAL HA 1 53 VAL HB 2.800 . 3.900 3.006 2.608 3.036 . 0 0 "[ . 1 . 2]" 1
164 1 53 VAL HA 1 53 VAL QG 2.900 . 4.090 2.067 1.928 2.145 . 0 0 "[ . 1 . 2]" 1
165 1 53 VAL H 1 53 VAL HA 2.780 . 3.810 2.925 2.902 2.944 . 0 0 "[ . 1 . 2]" 1
166 1 53 VAL H 1 53 VAL HB 2.590 . 3.440 2.426 2.327 2.920 . 0 0 "[ . 1 . 2]" 1
167 1 53 VAL H 1 53 VAL QG 3.100 . 4.450 2.459 1.843 2.710 . 0 0 "[ . 1 . 2]" 1
168 1 54 ASP H 1 54 ASP HA 2.980 . 4.210 2.948 2.909 2.959 . 0 0 "[ . 1 . 2]" 1
169 1 57 MET HA 1 57 MET QG 2.840 . 3.980 2.602 1.962 3.220 . 0 0 "[ . 1 . 2]" 1
170 1 57 MET H 1 57 MET HA 2.690 . 3.630 2.766 2.730 2.904 . 0 0 "[ . 1 . 2]" 1
171 1 57 MET H 1 57 MET QG 3.000 . 4.250 3.735 2.888 4.105 . 0 0 "[ . 1 . 2]" 1
172 1 78 ALA H 1 78 ALA HA 2.860 . 3.970 2.865 2.833 2.886 . 0 0 "[ . 1 . 2]" 1
173 1 9 ALA H 1 9 ALA HA 2.840 . 3.930 2.909 2.862 2.943 . 0 0 "[ . 1 . 2]" 1
174 1 81 THR HA 1 81 THR HB 2.800 . 3.900 2.962 2.579 3.036 . 0 0 "[ . 1 . 2]" 1
175 1 81 THR HA 1 81 THR HG1 3.060 . 4.420 2.697 2.097 3.485 . 0 0 "[ . 1 . 2]" 1
176 1 81 THR HA 1 81 THR MG 2.890 . 4.080 2.566 2.371 3.190 . 0 0 "[ . 1 . 2]" 1
177 1 81 THR H 1 81 THR HA 2.760 . 3.770 2.934 2.913 2.955 . 0 0 "[ . 1 . 2]" 1
178 1 81 THR H 1 81 THR HB 2.670 . 3.590 2.398 2.318 2.604 . 0 0 "[ . 1 . 2]" 1
179 1 81 THR HG1 1 81 THR MG 3.320 . 4.940 2.358 1.882 2.997 . 0 0 "[ . 1 . 2]" 1
180 1 81 THR H 1 81 THR HG1 3.880 . 6.000 3.624 2.618 4.476 . 0 0 "[ . 1 . 2]" 1
181 1 81 THR H 1 81 THR MG 2.980 . 4.210 3.517 2.217 3.773 . 0 0 "[ . 1 . 2]" 1
182 1 18 SER H 1 18 SER HA 2.830 . 3.910 2.854 2.364 2.953 . 0 0 "[ . 1 . 2]" 1
183 1 15 HIS H 1 15 HIS HB2 2.710 . 3.630 2.346 2.104 2.812 . 0 0 "[ . 1 . 2]" 1
184 1 15 HIS H 1 15 HIS HB3 2.660 . 3.520 3.185 2.390 3.629 0.109 11 0 "[ . 1 . 2]" 1
185 1 15 HIS H 1 15 HIS HD1 3.120 . 4.450 3.723 2.524 4.481 0.031 15 0 "[ . 1 . 2]" 1
186 1 18 SER H 1 18 SER QB 2.890 . 3.610 2.361 2.083 2.790 . 0 0 "[ . 1 . 2]" 1
187 1 26 LYS H 1 26 LYS QB 2.780 . 3.760 3.015 2.570 3.415 . 0 0 "[ . 1 . 2]" 1
188 1 26 LYS H 1 26 LYS HA 2.790 . 3.790 2.959 2.887 2.994 . 0 0 "[ . 1 . 2]" 1
189 1 27 LEU H 1 27 LEU HA 2.790 . 3.790 2.978 2.945 2.995 . 0 0 "[ . 1 . 2]" 1
190 1 27 LEU H 1 27 LEU QB 2.790 . 3.770 2.454 2.239 2.681 . 0 0 "[ . 1 . 2]" 1
191 1 28 LYS H 1 28 LYS QB 3.380 . 4.960 2.781 2.186 3.147 . 0 0 "[ . 1 . 2]" 1
192 1 29 LYS H 1 29 LYS QB 2.620 . 3.450 2.787 2.118 2.996 . 0 0 "[ . 1 . 2]" 1
193 1 29 LYS H 1 29 LYS HA 2.800 . 3.800 2.443 2.325 2.774 . 0 0 "[ . 1 . 2]" 1
194 1 30 SER H 1 30 SER QB 2.480 . 3.170 2.388 2.095 2.824 . 0 0 "[ . 1 . 2]" 1
195 1 30 SER H 1 30 SER HA 2.790 . 3.790 2.804 2.743 2.927 . 0 0 "[ . 1 . 2]" 1
196 1 31 GLU H 1 31 GLU QB 3.580 . 5.370 2.268 2.144 2.469 . 0 0 "[ . 1 . 2]" 1
197 1 31 GLU H 1 31 GLU HA 2.770 . 3.740 2.830 2.769 2.876 . 0 0 "[ . 1 . 2]" 1
198 1 32 LEU H 1 32 LEU QB 2.630 . 3.460 2.471 2.200 2.623 . 0 0 "[ . 1 . 2]" 1
199 1 39 GLU H 1 39 GLU HA 2.790 . 3.780 2.971 2.875 2.994 . 0 0 "[ . 1 . 2]" 1
200 1 40 LEU H 1 40 LEU QB 2.770 . 3.730 2.349 2.129 2.759 . 0 0 "[ . 1 . 2]" 1
201 1 43 PHE H 1 43 PHE HA 2.830 . 3.860 2.856 2.339 2.993 . 0 0 "[ . 1 . 2]" 1
202 1 43 PHE H 1 43 PHE QB 2.850 . 3.900 2.397 2.066 3.368 . 0 0 "[ . 1 . 2]" 1
203 1 44 LEU H 1 44 LEU HA 2.820 . 3.840 2.843 2.360 2.993 . 0 0 "[ . 1 . 2]" 1
204 1 48 LYS H 1 48 LYS HA 2.790 . 3.780 2.643 2.328 2.957 . 0 0 "[ . 1 . 2]" 1
205 1 49 GLU H 1 49 GLU HA 2.810 . 3.820 2.815 2.368 2.990 . 0 0 "[ . 1 . 2]" 1
206 1 50 GLN H 1 50 GLN HA 2.770 . 3.750 2.530 2.346 2.943 . 0 0 "[ . 1 . 2]" 1
207 1 58 GLU H 1 58 GLU QG 3.280 . 4.760 3.452 2.178 4.030 . 0 0 "[ . 1 . 2]" 1
208 1 59 THR H 1 59 THR HA 2.770 . 3.740 2.902 2.857 2.955 . 0 0 "[ . 1 . 2]" 1
209 1 62 ASN H 1 62 ASN HA 2.780 . 3.760 2.909 2.763 2.994 . 0 0 "[ . 1 . 2]" 1
210 1 63 ASP H 1 63 ASP HB3 3.040 . 4.280 3.385 2.835 3.934 . 0 0 "[ . 1 . 2]" 1
211 1 68 CYS H 1 68 CYS QB 3.040 . 4.290 2.217 2.036 2.669 . 0 0 "[ . 1 . 2]" 1
212 1 68 CYS H 1 68 CYS HA 2.770 . 3.750 2.887 2.880 2.917 . 0 0 "[ . 1 . 2]" 1
213 1 69 ASP H 1 69 ASP QB 2.730 . 3.520 2.541 2.267 3.224 . 0 0 "[ . 1 . 2]" 1
214 1 70 PHE H 1 70 PHE HA 2.870 . 3.930 2.836 2.796 2.873 . 0 0 "[ . 1 . 2]" 1
215 1 70 PHE H 1 70 PHE HB2 2.710 . 3.620 2.126 2.087 2.201 . 0 0 "[ . 1 . 2]" 1
216 1 88 PHE H 1 88 PHE QD 3.210 . 4.630 3.601 1.971 4.207 . 0 0 "[ . 1 . 2]" 1
217 1 91 GLU H 1 91 GLU QB 3.210 . 4.620 2.691 2.148 3.173 . 0 0 "[ . 1 . 2]" 1
218 1 91 GLU H 1 91 GLU HA 2.770 . 3.730 2.786 2.347 2.993 . 0 0 "[ . 1 . 2]" 1
219 1 70 PHE H 1 70 PHE HB3 3.900 . 6.000 3.194 3.027 3.413 . 0 0 "[ . 1 . 2]" 1
220 1 15 HIS HB3 1 15 HIS HD1 2.400 . 3.100 2.752 2.464 2.965 . 0 0 "[ . 1 . 2]" 1
221 1 15 HIS HB2 1 15 HIS HD1 2.540 . 3.380 2.767 2.461 2.955 . 0 0 "[ . 1 . 2]" 1
222 2 7 MET H 2 7 MET HA 2.660 . 3.560 2.910 2.766 2.945 . 0 0 "[ . 1 . 2]" 1
223 2 7 MET H 2 7 MET QB 3.060 . 4.370 2.262 2.092 2.660 . 0 0 "[ . 1 . 2]" 1
224 2 76 PHE H 2 76 PHE HA 2.710 . 3.670 2.873 2.795 2.929 . 0 0 "[ . 1 . 2]" 1
225 2 76 PHE H 2 76 PHE QB 3.060 . 4.370 2.196 2.038 2.466 . 0 0 "[ . 1 . 2]" 1
226 2 79 MET H 2 79 MET HA 2.770 . 3.790 2.902 2.835 2.933 . 0 0 "[ . 1 . 2]" 1
227 2 79 MET H 2 79 MET QB 2.960 . 4.170 2.455 2.227 2.655 . 0 0 "[ . 1 . 2]" 1
228 2 84 CYS H 2 84 CYS HA 2.740 . 3.730 2.925 2.857 2.955 . 0 0 "[ . 1 . 2]" 1
229 2 84 CYS H 2 84 CYS QB 3.000 . 4.250 2.283 2.237 2.331 . 0 0 "[ . 1 . 2]" 1
230 2 10 LEU H 2 10 LEU HA 2.700 . 3.650 2.815 2.762 2.883 . 0 0 "[ . 1 . 2]" 1
231 2 10 LEU H 2 10 LEU QB 3.060 . 4.370 2.211 2.063 2.609 . 0 0 "[ . 1 . 2]" 1
232 2 69 ASP H 2 69 ASP HA 2.940 . 4.130 2.988 2.959 2.995 . 0 0 "[ . 1 . 2]" 1
233 2 85 HIS H 2 85 HIS HA 2.880 . 4.000 2.861 2.788 2.889 . 0 0 "[ . 1 . 2]" 1
234 2 85 HIS H 2 85 HIS QB 2.770 . 3.790 2.161 2.067 2.284 . 0 0 "[ . 1 . 2]" 1
235 2 13 VAL HA 2 13 VAL HB 2.770 . 3.840 2.861 2.278 3.019 . 0 0 "[ . 1 . 2]" 1
236 2 13 VAL H 2 13 VAL HA 2.840 . 3.940 2.906 2.767 2.953 . 0 0 "[ . 1 . 2]" 1
237 2 13 VAL H 2 13 VAL HB 2.830 . 3.920 2.345 2.128 3.575 . 0 0 "[ . 1 . 2]" 1
238 2 55 LYS H 2 55 LYS HA 2.800 . 3.850 2.904 2.832 2.945 . 0 0 "[ . 1 . 2]" 1
239 2 55 LYS H 2 55 LYS QB 2.980 . 4.210 2.295 2.092 2.561 . 0 0 "[ . 1 . 2]" 1
240 2 62 ASN H 2 62 ASN QB 2.670 . 3.600 2.463 2.089 2.985 . 0 0 "[ . 1 . 2]" 1
241 2 70 PHE HA 2 70 PHE HB3 2.880 . 4.060 2.923 2.884 2.972 . 0 0 "[ . 1 . 2]" 1
242 2 70 PHE HA 2 70 PHE HB2 2.880 . 4.050 2.750 2.664 2.804 . 0 0 "[ . 1 . 2]" 1
243 2 3 LEU HA 2 3 LEU HG 3.250 . 4.790 2.970 2.190 3.641 . 0 0 "[ . 1 . 2]" 1
244 2 3 LEU H 2 3 LEU HA 2.940 . 4.130 2.890 2.832 2.922 . 0 0 "[ . 1 . 2]" 1
245 2 3 LEU H 2 3 LEU QB 3.240 . 4.730 2.401 2.097 2.721 . 0 0 "[ . 1 . 2]" 1
246 2 3 LEU H 2 3 LEU HG 3.070 . 4.390 3.181 1.866 4.252 . 0 0 "[ . 1 . 2]" 1
247 2 32 LEU HA 2 32 LEU HG 3.850 . 6.000 2.935 2.141 3.621 . 0 0 "[ . 1 . 2]" 1
248 2 32 LEU H 2 32 LEU HG 3.590 . 5.450 2.149 1.848 3.662 . 0 0 "[ . 1 . 2]" 1
249 2 35 LEU HA 2 35 LEU HG 3.140 . 4.580 2.766 1.955 3.593 . 0 0 "[ . 1 . 2]" 1
250 2 35 LEU H 2 35 LEU HA 2.930 . 4.110 2.778 2.744 2.838 . 0 0 "[ . 1 . 2]" 1
251 2 35 LEU H 2 35 LEU QB 2.790 . 3.830 2.219 2.063 2.560 . 0 0 "[ . 1 . 2]" 1
252 2 35 LEU H 2 35 LEU HG 2.960 . 4.170 3.680 1.947 4.641 0.471 15 0 "[ . 1 . 2]" 1
253 2 40 LEU HA 2 40 LEU HG 2.730 . 3.750 2.814 1.960 3.612 . 0 0 "[ . 1 . 2]" 1
254 2 40 LEU H 2 40 LEU HA 2.780 . 3.810 2.948 2.807 2.991 . 0 0 "[ . 1 . 2]" 1
255 2 46 GLU HA 2 46 GLU QG 3.210 . 4.720 2.448 1.915 3.420 . 0 0 "[ . 1 . 2]" 1
256 2 46 GLU H 2 46 GLU QB 2.860 . 3.970 2.897 2.090 3.347 . 0 0 "[ . 1 . 2]" 1
257 2 46 GLU H 2 46 GLU QG 3.120 . 4.500 2.988 1.901 4.237 . 0 0 "[ . 1 . 2]" 1
258 2 47 ILE HA 2 47 ILE HB 2.940 . 4.170 3.015 2.959 3.035 . 0 0 "[ . 1 . 2]" 1
259 2 47 ILE HA 2 47 ILE QG 3.110 . 4.520 2.152 2.054 2.250 . 0 0 "[ . 1 . 2]" 1
260 2 47 ILE H 2 47 ILE HA 2.720 . 3.690 2.645 2.340 2.993 . 0 0 "[ . 1 . 2]" 1
261 2 47 ILE H 2 47 ILE HB 3.020 . 4.290 3.161 2.333 3.828 . 0 0 "[ . 1 . 2]" 1
262 2 47 ILE H 2 47 ILE QG 3.450 . 5.200 2.323 1.776 3.046 . 0 0 "[ . 1 . 2]" 1
263 2 50 GLN H 2 50 GLN QB 2.740 . 3.710 3.172 2.570 3.514 . 0 0 "[ . 1 . 2]" 1
264 2 50 GLN HA 2 50 GLN QG 3.310 . 4.910 2.553 1.914 3.305 . 0 0 "[ . 1 . 2]" 1
265 2 50 GLN H 2 50 GLN QG 3.450 . 5.200 3.069 2.113 4.115 . 0 0 "[ . 1 . 2]" 1
266 2 52 VAL HA 2 52 VAL HB 2.970 . 4.240 3.002 2.988 3.034 . 0 0 "[ . 1 . 2]" 1
267 2 52 VAL HA 2 52 VAL QG 2.910 . 4.120 1.984 1.940 2.058 . 0 0 "[ . 1 . 2]" 1
268 2 52 VAL H 2 52 VAL HA 2.940 . 4.130 2.952 2.940 2.967 . 0 0 "[ . 1 . 2]" 1
269 2 52 VAL H 2 52 VAL HB 3.290 . 4.840 2.804 2.557 2.889 . 0 0 "[ . 1 . 2]" 1
270 2 52 VAL H 2 52 VAL QG 3.600 . 5.500 2.011 1.832 2.271 . 0 0 "[ . 1 . 2]" 1
271 2 59 THR HA 2 59 THR HB 2.840 . 3.980 2.898 2.302 3.034 . 0 0 "[ . 1 . 2]" 1
272 2 59 THR HA 2 59 THR HG1 3.010 . 4.320 2.321 1.981 2.820 . 0 0 "[ . 1 . 2]" 1
273 2 59 THR H 2 59 THR HB 2.750 . 3.750 2.499 2.294 3.578 . 0 0 "[ . 1 . 2]" 1
274 2 59 THR H 2 59 THR HG1 3.100 . 4.450 2.598 1.737 3.296 0.013 15 0 "[ . 1 . 2]" 1
275 2 68 CYS HA 2 68 CYS HG 2.880 . 4.060 3.529 2.748 4.161 0.101 17 0 "[ . 1 . 2]" 1
276 2 68 CYS H 2 68 CYS HG 2.980 . 4.210 4.329 2.680 4.873 0.663 8 7 "[** - *+ 1 * * 2]" 1
277 2 73 PHE H 2 73 PHE HA 2.900 . 4.050 2.877 2.793 2.910 . 0 0 "[ . 1 . 2]" 1
278 2 87 PHE H 2 87 PHE HA 2.930 . 4.110 2.833 2.763 2.928 . 0 0 "[ . 1 . 2]" 1
279 2 87 PHE H 2 87 PHE QB 2.910 . 4.070 2.165 2.062 2.285 . 0 0 "[ . 1 . 2]" 1
280 2 90 HIS H 2 90 HIS HA 2.790 . 3.830 2.707 2.345 2.993 . 0 0 "[ . 1 . 2]" 1
281 2 90 HIS H 2 90 HIS QB 3.250 . 4.780 2.804 2.108 3.471 . 0 0 "[ . 1 . 2]" 1
282 2 15 HIS HA 2 15 HIS HB3 2.940 . 4.180 2.786 2.431 3.033 . 0 0 "[ . 1 . 2]" 1
283 2 15 HIS HA 2 15 HIS HB2 2.850 . 4.000 2.807 2.432 3.035 . 0 0 "[ . 1 . 2]" 1
284 2 15 HIS HA 2 15 HIS HD1 2.770 . 3.830 2.659 1.963 3.328 . 0 0 "[ . 1 . 2]" 1
285 2 15 HIS H 2 15 HIS HA 2.790 . 3.830 2.905 2.868 2.930 . 0 0 "[ . 1 . 2]" 1
286 2 44 LEU H 2 44 LEU QB 2.770 . 3.790 2.666 2.198 3.346 . 0 0 "[ . 1 . 2]" 1
287 2 71 GLN HA 2 71 GLN QE 2.890 . 4.080 4.816 4.324 5.516 1.436 3 14 "[* +*.* *** ****** -]" 1
288 2 71 GLN H 2 71 GLN HA 2.810 . 3.870 2.821 2.761 2.857 . 0 0 "[ . 1 . 2]" 1
289 2 71 GLN H 2 71 GLN QB 2.380 . 3.020 2.660 2.359 2.777 . 0 0 "[ . 1 . 2]" 1
290 2 74 MET H 2 74 MET HA 2.830 . 3.900 2.861 2.814 2.909 . 0 0 "[ . 1 . 2]" 1
291 2 74 MET H 2 74 MET QB 2.730 . 3.710 2.230 2.064 2.747 . 0 0 "[ . 1 . 2]" 1
292 2 77 VAL H 2 77 VAL HA 2.750 . 3.750 2.826 2.793 2.862 . 0 0 "[ . 1 . 2]" 1
293 2 88 PHE H 2 88 PHE HA 2.900 . 4.050 2.845 2.766 2.955 . 0 0 "[ . 1 . 2]" 1
294 2 88 PHE H 2 88 PHE QB 2.630 . 3.520 2.225 2.070 2.642 . 0 0 "[ . 1 . 2]" 1
295 2 89 GLU HA 2 89 GLU HB2 2.770 . 3.830 2.770 2.471 3.032 . 0 0 "[ . 1 . 2]" 1
296 2 89 GLU HA 2 89 GLU HB3 2.840 . 3.980 2.713 2.333 3.030 . 0 0 "[ . 1 . 2]" 1
297 2 89 GLU H 2 89 GLU HA 2.790 . 3.830 2.752 2.347 2.993 . 0 0 "[ . 1 . 2]" 1
298 2 89 GLU H 2 89 GLU HB2 2.850 . 3.950 2.976 2.110 3.810 . 0 0 "[ . 1 . 2]" 1
299 2 89 GLU H 2 89 GLU HB3 2.720 . 3.690 3.487 2.526 4.069 0.379 19 0 "[ . 1 . 2]" 1
300 2 20 ARG H 2 20 ARG HA 2.330 . 2.910 2.875 2.757 2.955 0.045 17 0 "[ . 1 . 2]" 1
301 2 16 GLN H 2 16 GLN HA 2.750 . 3.750 2.852 2.757 2.957 . 0 0 "[ . 1 . 2]" 1
302 2 16 GLN H 2 16 GLN QB 2.670 . 3.590 2.348 2.256 2.748 . 0 0 "[ . 1 . 2]" 1
303 2 86 GLU HA 2 86 GLU HB2 2.870 . 4.040 2.758 2.396 3.034 . 0 0 "[ . 1 . 2]" 1
304 2 86 GLU HA 2 86 GLU HB3 2.830 . 3.950 2.780 2.425 3.028 . 0 0 "[ . 1 . 2]" 1
305 2 86 GLU H 2 86 GLU HA 2.810 . 3.870 2.913 2.765 2.955 . 0 0 "[ . 1 . 2]" 1
306 2 86 GLU H 2 86 GLU HB2 2.980 . 4.210 2.514 2.102 3.669 . 0 0 "[ . 1 . 2]" 1
307 2 86 GLU H 2 86 GLU HB3 3.040 . 4.330 3.112 2.370 3.626 . 0 0 "[ . 1 . 2]" 1
308 2 48 LYS HA 2 48 LYS QD 3.380 . 5.050 3.785 2.322 4.422 . 0 0 "[ . 1 . 2]" 1
309 2 48 LYS HA 2 48 LYS QG 3.320 . 4.280 3.028 2.441 3.354 . 0 0 "[ . 1 . 2]" 1
310 2 30 SER HA 2 30 SER HG 3.280 . 4.860 3.260 2.404 4.054 . 0 0 "[ . 1 . 2]" 1
311 2 34 GLU HA 2 34 GLU QG 3.010 . 4.320 2.409 1.900 3.338 . 0 0 "[ . 1 . 2]" 1
312 2 34 GLU H 2 34 GLU HA 2.840 . 3.930 2.855 2.762 2.941 . 0 0 "[ . 1 . 2]" 1
313 2 34 GLU H 2 34 GLU QB 2.760 . 3.780 2.264 2.068 2.885 . 0 0 "[ . 1 . 2]" 1
314 2 34 GLU H 2 34 GLU QG 3.710 . 5.710 3.138 1.797 3.798 . 0 0 "[ . 1 . 2]" 1
315 2 49 GLU H 2 49 GLU QB 3.550 . 5.400 3.059 2.498 3.349 . 0 0 "[ . 1 . 2]" 1
316 2 49 GLU HA 2 49 GLU QG 3.370 . 5.040 2.459 1.910 3.297 . 0 0 "[ . 1 . 2]" 1
317 2 6 ALA H 2 6 ALA HA 2.920 . 4.090 2.877 2.821 2.940 . 0 0 "[ . 1 . 2]" 1
318 2 6 ALA H 2 6 ALA MB 2.960 . 4.170 2.177 2.044 2.302 . 0 0 "[ . 1 . 2]" 1
319 2 56 VAL HA 2 56 VAL HB 2.770 . 3.850 2.540 2.436 2.659 . 0 0 "[ . 1 . 2]" 1
320 2 56 VAL H 2 56 VAL HA 2.930 . 4.110 2.833 2.797 2.876 . 0 0 "[ . 1 . 2]" 1
321 2 56 VAL H 2 56 VAL HB 2.690 . 3.630 3.187 2.235 3.588 . 0 0 "[ . 1 . 2]" 1
322 2 56 VAL H 2 56 VAL QG 3.440 . 5.130 1.990 1.735 2.577 0.015 1 0 "[ . 1 . 2]" 1
323 2 11 ILE HA 2 11 ILE HB 2.870 . 4.040 2.934 2.559 3.035 . 0 0 "[ . 1 . 2]" 1
324 2 11 ILE HA 2 11 ILE MD 3.090 . 4.480 3.174 1.983 3.846 . 0 0 "[ . 1 . 2]" 1
325 2 11 ILE H 2 11 ILE HA 3.000 . 4.290 2.842 2.755 2.913 . 0 0 "[ . 1 . 2]" 1
326 2 11 ILE HB 2 11 ILE MD 3.140 . 4.580 2.543 1.930 3.193 . 0 0 "[ . 1 . 2]" 1
327 2 11 ILE H 2 11 ILE HB 3.070 . 4.440 2.435 2.305 2.608 . 0 0 "[ . 1 . 2]" 1
328 2 11 ILE H 2 11 ILE MD 3.060 . 4.410 3.541 2.866 4.175 . 0 0 "[ . 1 . 2]" 1
329 2 28 LYS HA 2 28 LYS QD 3.660 . 5.620 4.053 3.553 4.563 . 0 0 "[ . 1 . 2]" 1
330 2 28 LYS H 2 28 LYS QD 3.880 . 6.000 4.085 3.041 4.896 . 0 0 "[ . 1 . 2]" 1
331 2 4 GLU HA 2 4 GLU HB2 2.830 . 3.960 2.649 2.404 2.998 . 0 0 "[ . 1 . 2]" 1
332 2 4 GLU H 2 4 GLU HA 2.870 . 3.980 2.860 2.799 2.910 . 0 0 "[ . 1 . 2]" 1
333 2 4 GLU H 2 4 GLU HB3 2.930 . 4.160 2.886 2.394 3.569 . 0 0 "[ . 1 . 2]" 1
334 2 4 GLU H 2 4 GLU HB2 3.050 . 4.400 2.400 2.085 2.749 . 0 0 "[ . 1 . 2]" 1
335 2 33 LYS HA 2 33 LYS QD 3.310 . 4.920 3.431 2.803 3.988 . 0 0 "[ . 1 . 2]" 1
336 2 33 LYS H 2 33 LYS HA 2.790 . 3.830 2.761 2.727 2.818 . 0 0 "[ . 1 . 2]" 1
337 2 33 LYS QB 2 33 LYS QD 3.150 . 4.590 2.036 1.885 2.295 . 0 0 "[ . 1 . 2]" 1
338 2 33 LYS H 2 33 LYS QB 2.710 . 3.680 2.199 2.075 2.556 . 0 0 "[ . 1 . 2]" 1
339 2 33 LYS H 2 33 LYS QD 3.540 . 5.380 4.325 3.782 4.638 . 0 0 "[ . 1 . 2]" 1
340 2 36 ILE HA 2 36 ILE MD 3.790 . 5.880 3.153 1.842 3.830 . 0 0 "[ . 1 . 2]" 1
341 2 36 ILE H 2 36 ILE HA 2.900 . 4.050 2.872 2.761 2.935 . 0 0 "[ . 1 . 2]" 1
342 2 36 ILE H 2 36 ILE HB 2.710 . 3.670 2.581 2.203 3.049 . 0 0 "[ . 1 . 2]" 1
343 2 36 ILE H 2 36 ILE MD 3.740 . 5.730 2.727 1.876 3.817 . 0 0 "[ . 1 . 2]" 1
344 2 41 SER H 2 41 SER HA 2.980 . 4.210 2.821 2.347 2.994 . 0 0 "[ . 1 . 2]" 1
345 2 41 SER HA 2 41 SER HG 3.100 . 4.500 3.130 1.967 4.046 . 0 0 "[ . 1 . 2]" 1
346 2 45 GLU H 2 45 GLU QB 3.060 . 4.410 2.756 2.110 3.402 . 0 0 "[ . 1 . 2]" 1
347 2 61 ASP HA 2 61 ASP HB2 2.850 . 4.000 2.728 2.403 3.035 . 0 0 "[ . 1 . 2]" 1
348 2 61 ASP HA 2 61 ASP HB3 2.800 . 3.900 2.753 2.380 3.035 . 0 0 "[ . 1 . 2]" 1
349 2 61 ASP H 2 61 ASP HA 2.850 . 3.950 2.900 2.758 2.956 . 0 0 "[ . 1 . 2]" 1
350 2 61 ASP H 2 61 ASP HB2 2.980 . 4.210 2.641 2.093 3.677 . 0 0 "[ . 1 . 2]" 1
351 2 61 ASP H 2 61 ASP HB3 3.040 . 4.330 3.043 2.433 3.676 . 0 0 "[ . 1 . 2]" 1
352 2 58 GLU HA 2 58 GLU QG 3.330 . 4.950 2.162 1.926 2.456 . 0 0 "[ . 1 . 2]" 1
353 2 58 GLU H 2 58 GLU HA 2.760 . 3.770 2.892 2.825 2.958 . 0 0 "[ . 1 . 2]" 1
354 2 58 GLU H 2 58 GLU QB 2.810 . 3.870 2.217 2.072 2.609 . 0 0 "[ . 1 . 2]" 1
355 2 80 VAL HA 2 80 VAL HB 2.850 . 4.000 2.859 2.728 2.961 . 0 0 "[ . 1 . 2]" 1
356 2 80 VAL HA 2 80 VAL QG 2.980 . 4.260 1.937 1.877 2.109 . 0 0 "[ . 1 . 2]" 1
357 2 80 VAL H 2 80 VAL HA 2.810 . 3.870 2.773 2.752 2.798 . 0 0 "[ . 1 . 2]" 1
358 2 80 VAL H 2 80 VAL HB 2.830 . 3.910 3.423 3.191 3.586 . 0 0 "[ . 1 . 2]" 1
359 2 80 VAL H 2 80 VAL QG 3.060 . 4.370 1.731 1.712 1.800 0.038 15 0 "[ . 1 . 2]" 1
360 2 38 ASN H 2 38 ASN HA 2.860 . 3.970 2.941 2.744 2.994 . 0 0 "[ . 1 . 2]" 1
361 2 38 ASN QB 2 38 ASN HD21 2.960 . 4.210 2.391 2.211 2.893 . 0 0 "[ . 1 . 2]" 1
362 2 38 ASN H 2 38 ASN QB 2.710 . 3.670 2.371 2.103 2.658 . 0 0 "[ . 1 . 2]" 1
363 2 39 GLU H 2 39 GLU QB 2.790 . 3.830 2.565 2.264 3.033 . 0 0 "[ . 1 . 2]" 1
364 2 63 ASP HA 2 63 ASP HB2 2.730 . 3.750 2.737 2.424 3.012 . 0 0 "[ . 1 . 2]" 1
365 2 63 ASP H 2 63 ASP HA 2.960 . 4.170 2.954 2.842 2.994 . 0 0 "[ . 1 . 2]" 1
366 2 63 ASP H 2 63 ASP HB2 2.720 . 3.690 2.950 2.258 3.769 0.079 14 0 "[ . 1 . 2]" 1
367 2 17 TYR H 2 17 TYR HA 2.810 . 3.870 2.850 2.756 2.971 . 0 0 "[ . 1 . 2]" 1
368 2 17 TYR H 2 17 TYR QB 2.840 . 3.960 2.362 2.278 2.643 . 0 0 "[ . 1 . 2]" 1
369 2 51 GLU HA 2 51 GLU QG 2.980 . 4.260 2.242 1.917 2.907 . 0 0 "[ . 1 . 2]" 1
370 2 72 GLU HA 2 72 GLU QG 3.170 . 4.640 2.862 2.483 3.414 . 0 0 "[ . 1 . 2]" 1
371 2 72 GLU H 2 72 GLU HA 2.980 . 4.210 2.917 2.884 2.941 . 0 0 "[ . 1 . 2]" 1
372 2 72 GLU H 2 72 GLU QB 2.880 . 4.000 2.617 2.011 2.900 . 0 0 "[ . 1 . 2]" 1
373 2 72 GLU H 2 72 GLU QG 3.170 . 4.590 2.201 1.796 3.923 . 0 0 "[ . 1 . 2]" 1
374 2 21 GLU HA 2 21 GLU QG 2.890 . 4.080 2.514 1.903 3.320 . 0 0 "[ . 1 . 2]" 1
375 2 21 GLU H 2 21 GLU HA 2.830 . 3.910 2.942 2.886 2.992 . 0 0 "[ . 1 . 2]" 1
376 2 21 GLU H 2 21 GLU QB 3.320 . 4.890 2.662 2.099 3.409 . 0 0 "[ . 1 . 2]" 1
377 2 21 GLU H 2 21 GLU QG 2.960 . 4.170 3.156 2.009 3.952 . 0 0 "[ . 1 . 2]" 1
378 2 42 HIS H 2 42 HIS HA 3.000 . 4.250 2.894 2.355 2.993 . 0 0 "[ . 1 . 2]" 1
379 2 42 HIS H 2 42 HIS QB 3.050 . 4.370 2.599 2.143 3.453 . 0 0 "[ . 1 . 2]" 1
380 2 60 LEU H 2 60 LEU HA 2.790 . 3.820 2.822 2.693 2.971 . 0 0 "[ . 1 . 2]" 1
381 2 82 THR HA 2 82 THR HB 2.750 . 3.800 2.677 2.595 3.004 . 0 0 "[ . 1 . 2]" 1
382 2 82 THR HA 2 82 THR MG 3.290 . 4.880 3.105 2.637 3.188 . 0 0 "[ . 1 . 2]" 1
383 2 82 THR H 2 82 THR HB 3.270 . 4.830 2.382 2.162 2.442 . 0 0 "[ . 1 . 2]" 1
384 2 82 THR H 2 82 THR MG 3.500 . 5.300 2.587 2.342 3.629 . 0 0 "[ . 1 . 2]" 1
385 2 83 ALA H 2 83 ALA HA 2.870 . 4.040 2.727 2.715 2.740 . 0 0 "[ . 1 . 2]" 1
386 2 14 PHE H 2 14 PHE HA 2.950 . 4.150 2.866 2.784 2.939 . 0 0 "[ . 1 . 2]" 1
387 2 53 VAL HA 2 53 VAL HB 2.800 . 3.900 3.026 3.001 3.035 . 0 0 "[ . 1 . 2]" 1
388 2 53 VAL HA 2 53 VAL QG 2.900 . 4.090 2.062 1.985 2.132 . 0 0 "[ . 1 . 2]" 1
389 2 53 VAL H 2 53 VAL HA 2.780 . 3.810 2.921 2.882 2.943 . 0 0 "[ . 1 . 2]" 1
390 2 53 VAL H 2 53 VAL HB 2.590 . 3.440 2.405 2.229 2.794 . 0 0 "[ . 1 . 2]" 1
391 2 53 VAL H 2 53 VAL QG 3.100 . 4.450 2.470 1.840 2.709 . 0 0 "[ . 1 . 2]" 1
392 2 54 ASP H 2 54 ASP HA 2.980 . 4.210 2.947 2.914 2.960 . 0 0 "[ . 1 . 2]" 1
393 2 57 MET HA 2 57 MET QG 2.840 . 3.980 2.472 1.942 3.250 . 0 0 "[ . 1 . 2]" 1
394 2 57 MET H 2 57 MET HA 2.690 . 3.630 2.755 2.736 2.772 . 0 0 "[ . 1 . 2]" 1
395 2 57 MET H 2 57 MET QG 3.000 . 4.250 3.719 3.167 4.084 . 0 0 "[ . 1 . 2]" 1
396 2 78 ALA H 2 78 ALA HA 2.860 . 3.970 2.856 2.806 2.886 . 0 0 "[ . 1 . 2]" 1
397 2 9 ALA H 2 9 ALA HA 2.840 . 3.930 2.900 2.839 2.935 . 0 0 "[ . 1 . 2]" 1
398 2 81 THR HA 2 81 THR HB 2.800 . 3.900 2.990 2.595 3.033 . 0 0 "[ . 1 . 2]" 1
399 2 81 THR HA 2 81 THR HG1 3.060 . 4.420 2.941 2.109 3.968 . 0 0 "[ . 1 . 2]" 1
400 2 81 THR HA 2 81 THR MG 2.890 . 4.080 2.419 2.062 2.509 . 0 0 "[ . 1 . 2]" 1
401 2 81 THR H 2 81 THR HA 2.760 . 3.770 2.920 2.896 2.942 . 0 0 "[ . 1 . 2]" 1
402 2 81 THR H 2 81 THR HB 2.670 . 3.590 2.474 2.319 3.582 . 0 0 "[ . 1 . 2]" 1
403 2 81 THR HG1 2 81 THR MG 3.320 . 4.940 2.369 1.874 2.988 . 0 0 "[ . 1 . 2]" 1
404 2 81 THR H 2 81 THR HG1 3.880 . 6.000 3.407 2.566 3.873 . 0 0 "[ . 1 . 2]" 1
405 2 81 THR H 2 81 THR MG 2.980 . 4.210 3.644 2.607 3.763 . 0 0 "[ . 1 . 2]" 1
406 2 18 SER H 2 18 SER HA 2.830 . 3.910 2.840 2.366 2.950 . 0 0 "[ . 1 . 2]" 1
407 2 15 HIS H 2 15 HIS HB2 2.710 . 3.630 2.384 2.099 2.729 . 0 0 "[ . 1 . 2]" 1
408 2 15 HIS H 2 15 HIS HB3 2.660 . 3.520 3.169 2.428 3.638 0.118 11 0 "[ . 1 . 2]" 1
409 2 15 HIS H 2 15 HIS HD1 3.120 . 4.450 3.608 2.388 4.476 0.026 4 0 "[ . 1 . 2]" 1
410 2 18 SER H 2 18 SER QB 2.890 . 3.610 2.462 2.090 2.878 . 0 0 "[ . 1 . 2]" 1
411 2 26 LYS H 2 26 LYS QB 2.780 . 3.760 3.053 2.422 3.418 . 0 0 "[ . 1 . 2]" 1
412 2 26 LYS H 2 26 LYS HA 2.790 . 3.790 2.952 2.887 2.994 . 0 0 "[ . 1 . 2]" 1
413 2 27 LEU H 2 27 LEU HA 2.790 . 3.790 2.977 2.941 2.995 . 0 0 "[ . 1 . 2]" 1
414 2 27 LEU H 2 27 LEU QB 2.790 . 3.770 2.496 2.244 2.723 . 0 0 "[ . 1 . 2]" 1
415 2 28 LYS H 2 28 LYS QB 3.380 . 4.960 2.663 2.194 3.142 . 0 0 "[ . 1 . 2]" 1
416 2 29 LYS H 2 29 LYS QB 2.620 . 3.450 2.737 2.257 3.009 . 0 0 "[ . 1 . 2]" 1
417 2 29 LYS H 2 29 LYS HA 2.800 . 3.800 2.529 2.332 2.779 . 0 0 "[ . 1 . 2]" 1
418 2 30 SER H 2 30 SER QB 2.480 . 3.170 2.368 2.103 2.883 . 0 0 "[ . 1 . 2]" 1
419 2 30 SER H 2 30 SER HA 2.790 . 3.790 2.827 2.737 2.925 . 0 0 "[ . 1 . 2]" 1
420 2 31 GLU H 2 31 GLU QB 3.580 . 5.370 2.304 2.206 2.542 . 0 0 "[ . 1 . 2]" 1
421 2 31 GLU H 2 31 GLU HA 2.770 . 3.740 2.810 2.753 2.852 . 0 0 "[ . 1 . 2]" 1
422 2 32 LEU H 2 32 LEU QB 2.630 . 3.460 2.548 2.294 2.787 . 0 0 "[ . 1 . 2]" 1
423 2 39 GLU H 2 39 GLU HA 2.790 . 3.780 2.982 2.901 2.994 . 0 0 "[ . 1 . 2]" 1
424 2 40 LEU H 2 40 LEU QB 2.770 . 3.730 2.393 2.150 2.741 . 0 0 "[ . 1 . 2]" 1
425 2 43 PHE H 2 43 PHE HA 2.830 . 3.860 2.861 2.361 2.990 . 0 0 "[ . 1 . 2]" 1
426 2 43 PHE H 2 43 PHE QB 2.850 . 3.900 2.426 2.074 3.510 . 0 0 "[ . 1 . 2]" 1
427 2 44 LEU H 2 44 LEU HA 2.820 . 3.840 2.903 2.360 2.993 . 0 0 "[ . 1 . 2]" 1
428 2 48 LYS H 2 48 LYS HA 2.790 . 3.780 2.592 2.354 2.991 . 0 0 "[ . 1 . 2]" 1
429 2 49 GLU H 2 49 GLU HA 2.810 . 3.820 2.716 2.348 2.991 . 0 0 "[ . 1 . 2]" 1
430 2 50 GLN H 2 50 GLN HA 2.770 . 3.750 2.599 2.346 2.941 . 0 0 "[ . 1 . 2]" 1
431 2 58 GLU H 2 58 GLU QG 3.280 . 4.760 3.440 2.038 4.021 . 0 0 "[ . 1 . 2]" 1
432 2 59 THR H 2 59 THR HA 2.770 . 3.740 2.900 2.855 2.945 . 0 0 "[ . 1 . 2]" 1
433 2 62 ASN H 2 62 ASN HA 2.780 . 3.760 2.939 2.758 2.992 . 0 0 "[ . 1 . 2]" 1
434 2 63 ASP H 2 63 ASP HB3 3.040 . 4.280 3.247 2.706 3.802 . 0 0 "[ . 1 . 2]" 1
435 2 68 CYS H 2 68 CYS QB 3.040 . 4.290 2.283 2.049 2.674 . 0 0 "[ . 1 . 2]" 1
436 2 68 CYS H 2 68 CYS HA 2.770 . 3.750 2.899 2.878 2.966 . 0 0 "[ . 1 . 2]" 1
437 2 69 ASP H 2 69 ASP QB 2.730 . 3.520 2.405 2.227 2.741 . 0 0 "[ . 1 . 2]" 1
438 2 70 PHE H 2 70 PHE HA 2.870 . 3.930 2.837 2.793 2.875 . 0 0 "[ . 1 . 2]" 1
439 2 70 PHE H 2 70 PHE HB2 2.710 . 3.620 2.141 2.090 2.262 . 0 0 "[ . 1 . 2]" 1
440 2 88 PHE H 2 88 PHE QD 3.210 . 4.630 3.330 1.872 4.208 . 0 0 "[ . 1 . 2]" 1
441 2 91 GLU H 2 91 GLU QB 3.210 . 4.620 2.787 2.068 3.377 . 0 0 "[ . 1 . 2]" 1
442 2 91 GLU H 2 91 GLU HA 2.770 . 3.730 2.819 2.350 2.991 . 0 0 "[ . 1 . 2]" 1
443 2 70 PHE H 2 70 PHE HB3 3.900 . 6.000 3.155 2.975 3.264 . 0 0 "[ . 1 . 2]" 1
444 2 15 HIS HB3 2 15 HIS HD1 2.400 . 3.100 2.719 2.460 2.944 . 0 0 "[ . 1 . 2]" 1
445 2 15 HIS HB2 2 15 HIS HD1 2.540 . 3.380 2.737 2.463 2.958 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 399
_Distance_constraint_stats_list.Viol_count 643
_Distance_constraint_stats_list.Viol_total 7418.083
_Distance_constraint_stats_list.Viol_max 2.843
_Distance_constraint_stats_list.Viol_rms 0.2193
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0465
_Distance_constraint_stats_list.Viol_average_violations_only 0.5768
_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 1.409 0.089 1 0 "[ . 1 . 2]"
1 3 LEU 1.409 0.089 1 0 "[ . 1 . 2]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 HIS 7.567 0.737 3 7 "[ + ** * 1 *. -*]"
1 16 GLN 7.567 0.737 3 7 "[ + ** * 1 *. -*]"
1 17 TYR 0.014 0.014 20 0 "[ . 1 . 2]"
1 18 SER 0.014 0.014 20 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 22.873 1.899 7 17 "[* **.*+-******.*****]"
1 21 GLU 36.496 1.899 7 18 "[* **.*+-************]"
1 22 GLY 13.623 1.046 11 12 "[ **.** *+** * -**]"
1 25 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 21.265 1.147 11 20 [*******-**+*********]
1 27 LEU 21.265 1.147 11 20 [*******-**+*********]
1 28 LYS 0.454 0.095 8 0 "[ . 1 . 2]"
1 29 LYS 13.153 0.680 17 20 [****************+-**]
1 30 SER 12.699 0.680 17 20 [****************+-**]
1 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LEU 21.145 1.330 9 18 "[*******-+******* **2]"
1 33 LYS 21.145 1.330 9 18 "[*******-+******* **2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.921 0.201 6 0 "[ . 1 . 2]"
1 41 SER 0.921 0.201 6 0 "[ . 1 . 2]"
1 42 HIS 0.152 0.152 18 0 "[ . 1 . 2]"
1 43 PHE 0.152 0.152 18 0 "[ . 1 . 2]"
1 44 LEU 3.339 1.050 12 4 "[ * . - * + . 2]"
1 45 GLU 3.339 1.050 12 4 "[ * . - * + . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 6.791 1.580 3 5 "[ -+*. * 1 . * 2]"
1 49 GLU 7.690 1.580 3 6 "[ -+*. * 1 . * *]"
1 50 GLN 0.899 0.899 20 1 "[ . 1 . +]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 3.531 0.464 4 0 "[ . 1 . 2]"
1 57 MET 3.531 0.464 4 0 "[ . 1 . 2]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 THR 0.074 0.074 18 0 "[ . 1 . 2]"
1 60 LEU 0.074 0.074 18 0 "[ . 1 . 2]"
1 61 ASP 11.317 0.741 11 12 "[ * .* * *+** .***-*]"
1 62 ASN 16.761 0.741 11 12 "[ * .* * *+** .***-*]"
1 63 ASP 6.103 0.466 16 0 "[ . 1 . 2]"
1 64 GLY 0.732 0.323 20 0 "[ . 1 . 2]"
1 65 ASP 0.092 0.049 16 0 "[ . 1 . 2]"
1 66 GLY 0.019 0.013 19 0 "[ . 1 . 2]"
1 67 GLU 48.929 2.753 6 19 [***-.+**************]
1 68 CYS 48.929 2.753 6 19 [***-.+**************]
1 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 GLN 8.834 0.875 18 11 "[ * * * ** **- +**]"
1 72 GLU 8.834 0.875 18 11 "[ * * * ** **- +**]"
1 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 GLU 0.590 0.211 14 0 "[ . 1 . 2]"
1 90 HIS 0.590 0.211 14 0 "[ . 1 . 2]"
1 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 GLU 1.451 0.089 1 0 "[ . 1 . 2]"
2 3 LEU 1.451 0.089 1 0 "[ . 1 . 2]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 HIS 6.849 0.690 7 7 "[* .*+* 1 -.* *2]"
2 16 GLN 6.849 0.690 7 7 "[* .*+* 1 -.* *2]"
2 17 TYR 0.038 0.038 3 0 "[ . 1 . 2]"
2 18 SER 0.038 0.038 3 0 "[ . 1 . 2]"
2 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 ARG 11.540 1.808 2 11 "[*+*** *** * . -*]"
2 21 GLU 23.019 1.808 2 17 "[*+*** ***** *-** ***]"
2 22 GLY 11.479 1.050 8 13 "[ *. *+*** *-** ***]"
2 25 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 LYS 21.218 1.153 13 20 [*********-**+*******]
2 27 LEU 21.218 1.153 13 20 [*********-**+*******]
2 28 LYS 0.258 0.060 13 0 "[ . 1 . 2]"
2 29 LYS 12.756 0.670 9 20 [-*******+***********]
2 30 SER 12.498 0.670 9 20 [-*******+***********]
2 31 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 32 LEU 19.421 1.262 19 15 "[ ******** - ****+*]"
2 33 LYS 19.421 1.262 19 15 "[ ******** - ****+*]"
2 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 36 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 37 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 38 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 39 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 40 LEU 0.603 0.154 3 0 "[ . 1 . 2]"
2 41 SER 0.882 0.279 8 0 "[ . 1 . 2]"
2 42 HIS 0.664 0.286 19 0 "[ . 1 . 2]"
2 43 PHE 0.385 0.286 19 0 "[ . 1 . 2]"
2 44 LEU 3.943 1.065 11 4 "[ * - 1+ .* 2]"
2 45 GLU 3.943 1.065 11 4 "[ * - 1+ .* 2]"
2 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 47 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 48 LYS 9.092 1.659 1 7 "[+ * 1*- ** *]"
2 49 GLU 10.113 1.659 1 8 "[+ * 1*- ** * *]"
2 50 GLN 1.021 1.021 17 1 "[ . 1 . + 2]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 56 VAL 3.989 0.569 17 2 "[ . 1 - . + 2]"
2 57 MET 3.989 0.569 17 2 "[ . 1 - . + 2]"
2 58 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 59 THR 0.063 0.063 8 0 "[ . 1 . 2]"
2 60 LEU 0.063 0.063 8 0 "[ . 1 . 2]"
2 61 ASP 10.390 0.745 1 13 "[+**** * * *** **-]"
2 62 ASN 15.146 0.745 1 13 "[+**** * * *** **-]"
2 63 ASP 5.304 0.454 19 0 "[ . 1 . 2]"
2 64 GLY 0.636 0.260 1 0 "[ . 1 . 2]"
2 65 ASP 0.090 0.061 18 0 "[ . 1 . 2]"
2 66 GLY 0.001 0.001 10 0 "[ . 1 . 2]"
2 67 GLU 48.026 2.843 17 17 "[***** **** * *-*+***]"
2 68 CYS 48.026 2.843 17 17 "[***** **** * *-*+***]"
2 69 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 70 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 71 GLN 9.883 0.932 7 13 "[ *-***+ *** *.* * *]"
2 72 GLU 9.883 0.932 7 13 "[ *-***+ *** *.* * *]"
2 73 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 74 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 75 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 MET 0.000 0.000 . 0 "[ . 1 . 2]"
2 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 81 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 84 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 85 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 86 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 87 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 89 GLU 0.464 0.207 1 0 "[ . 1 . 2]"
2 90 HIS 0.464 0.207 1 0 "[ . 1 . 2]"
2 91 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 76 PHE QB 1 77 VAL H 3.270 . 4.790 2.217 1.847 2.611 . 0 0 "[ . 1 . 2]" 2
2 1 79 MET QB 1 80 VAL H 3.150 . 4.550 1.985 1.870 2.292 . 0 0 "[ . 1 . 2]" 2
3 1 84 CYS QB 1 85 HIS H 3.270 . 4.790 2.506 2.223 2.858 . 0 0 "[ . 1 . 2]" 2
4 1 10 LEU HA 1 11 ILE H 3.020 . 4.290 3.562 3.489 3.589 . 0 0 "[ . 1 . 2]" 2
5 1 10 LEU QB 1 11 ILE H 3.200 . 4.650 2.566 2.143 2.945 . 0 0 "[ . 1 . 2]" 2
6 1 69 ASP HA 1 70 PHE H 2.360 . 2.970 2.523 2.496 2.550 . 0 0 "[ . 1 . 2]" 2
7 1 13 VAL HB 1 14 PHE H 3.010 . 4.300 3.169 2.880 3.461 . 0 0 "[ . 1 . 2]" 2
8 1 55 LYS HA 1 56 VAL H 3.310 . 4.910 3.568 3.490 3.601 . 0 0 "[ . 1 . 2]" 2
9 1 55 LYS QB 1 56 VAL H 3.030 . 4.290 2.577 2.341 2.907 . 0 0 "[ . 1 . 2]" 2
10 1 70 PHE HA 1 71 GLN H 2.830 . 3.910 3.580 3.565 3.596 . 0 0 "[ . 1 . 2]" 2
11 1 70 PHE HB3 1 71 GLN H 2.810 . 3.870 2.458 2.168 2.752 . 0 0 "[ . 1 . 2]" 2
12 1 70 PHE HB2 1 71 GLN H 2.850 . 3.950 3.175 2.934 3.319 . 0 0 "[ . 1 . 2]" 2
13 1 35 LEU QB 1 36 ILE H 3.150 . 4.550 2.594 2.207 3.052 . 0 0 "[ . 1 . 2]" 2
14 1 40 LEU HA 1 41 SER H 3.000 . 4.300 2.997 2.440 3.587 . 0 0 "[ . 1 . 2]" 2
15 1 47 ILE HA 1 48 LYS H 3.500 . 5.300 2.793 2.192 3.580 . 0 0 "[ . 1 . 2]" 2
16 1 52 VAL HA 1 53 VAL H 3.140 . 4.530 3.449 3.379 3.515 . 0 0 "[ . 1 . 2]" 2
17 1 52 VAL HB 1 53 VAL H 3.400 . 5.050 3.169 2.918 3.392 . 0 0 "[ . 1 . 2]" 2
18 1 59 THR HA 1 60 LEU H 3.480 . 5.260 3.479 3.364 3.593 . 0 0 "[ . 1 . 2]" 2
19 1 59 THR HB 1 60 LEU H 3.100 . 4.450 3.097 2.092 4.140 . 0 0 "[ . 1 . 2]" 2
20 1 87 PHE HA 1 88 PHE H 3.210 . 4.670 3.522 3.447 3.585 . 0 0 "[ . 1 . 2]" 2
21 1 87 PHE QB 1 88 PHE H 3.250 . 4.750 2.740 2.048 3.054 . 0 0 "[ . 1 . 2]" 2
22 1 90 HIS HA 1 91 GLU H 3.170 . 4.590 2.454 2.198 2.831 . 0 0 "[ . 1 . 2]" 2
23 1 15 HIS HA 1 16 GLN H 3.040 . 4.330 3.537 3.383 3.588 . 0 0 "[ . 1 . 2]" 2
24 1 71 GLN HA 1 72 GLU H 3.020 . 4.290 3.534 3.483 3.581 . 0 0 "[ . 1 . 2]" 2
25 1 71 GLN QB 1 72 GLU H 2.190 . 2.670 3.038 2.467 3.545 0.875 18 11 "[ * * * ** **- +**]" 2
26 1 88 PHE HA 1 89 GLU H 3.190 . 4.630 3.557 3.443 3.588 . 0 0 "[ . 1 . 2]" 2
27 1 88 PHE QB 1 89 GLU H 2.980 . 4.260 2.481 1.929 3.316 . 0 0 "[ . 1 . 2]" 2
28 1 89 GLU HA 1 90 HIS H 2.900 . 4.050 2.614 2.207 3.582 . 0 0 "[ . 1 . 2]" 2
29 1 48 LYS HA 1 49 GLU QG 3.620 . 5.540 5.220 4.460 6.534 0.994 8 2 "[ - . + 1 . 2]" 2
30 1 48 LYS HA 1 49 GLU H 2.690 . 3.630 3.408 2.580 3.580 . 0 0 "[ . 1 . 2]" 2
31 1 48 LYS QG 1 49 GLU QG 3.520 . 5.330 4.257 1.897 6.910 1.580 3 3 "[ +*. 1 . - 2]" 2
32 1 27 LEU HA 1 28 LYS H 2.940 . 4.130 2.345 2.184 2.504 . 0 0 "[ . 1 . 2]" 2
33 1 34 GLU QB 1 35 LEU H 3.000 . 4.230 2.376 1.922 2.732 . 0 0 "[ . 1 . 2]" 2
34 1 49 GLU QB 1 50 GLN H 3.720 . 5.740 3.477 1.997 4.022 . 0 0 "[ . 1 . 2]" 2
35 1 49 GLU QG 1 50 GLN H 3.850 . 6.000 3.765 1.978 4.576 . 0 0 "[ . 1 . 2]" 2
36 1 6 ALA HA 1 7 MET H 3.010 . 4.270 3.443 3.382 3.585 . 0 0 "[ . 1 . 2]" 2
37 1 6 ALA MB 1 7 MET H 3.230 . 4.710 2.937 2.015 3.107 . 0 0 "[ . 1 . 2]" 2
38 1 56 VAL HA 1 57 MET H 3.310 . 4.870 3.569 3.489 3.600 . 0 0 "[ . 1 . 2]" 2
39 1 56 VAL HB 1 57 MET H 3.060 . 4.410 3.517 3.156 3.670 . 0 0 "[ . 1 . 2]" 2
40 1 11 ILE HB 1 12 ASP H 3.100 . 4.500 2.874 2.273 3.717 . 0 0 "[ . 1 . 2]" 2
41 1 28 LYS HA 1 29 LYS H 3.020 . 4.290 2.446 2.271 2.501 . 0 0 "[ . 1 . 2]" 2
42 1 28 LYS QD 1 29 LYS H 3.790 . 5.830 5.132 1.968 5.925 0.095 8 0 "[ . 1 . 2]" 2
43 1 33 LYS HA 1 34 GLU H 3.110 . 4.470 3.540 3.501 3.595 . 0 0 "[ . 1 . 2]" 2
44 1 33 LYS QB 1 34 GLU H 2.920 . 4.130 2.706 2.309 2.923 . 0 0 "[ . 1 . 2]" 2
45 1 36 ILE HA 1 37 ASN H 3.720 . 5.740 3.534 3.383 3.590 . 0 0 "[ . 1 . 2]" 2
46 1 41 SER HA 1 42 HIS H 2.900 . 4.050 3.220 2.519 3.590 . 0 0 "[ . 1 . 2]" 2
47 1 45 GLU QB 1 46 GLU H 3.110 . 4.520 3.271 1.834 4.044 . 0 0 "[ . 1 . 2]" 2
48 1 61 ASP HA 1 62 ASN H 3.170 . 4.590 2.255 2.188 2.500 . 0 0 "[ . 1 . 2]" 2
49 1 61 ASP HB2 1 62 ASN H 3.190 . 4.630 4.343 3.651 4.697 0.067 3 0 "[ . 1 . 2]" 2
50 1 58 GLU HA 1 59 THR H 3.100 . 4.500 3.569 3.529 3.601 . 0 0 "[ . 1 . 2]" 2
51 1 80 VAL HB 1 81 THR MG 3.850 . 6.000 5.594 5.056 5.816 . 0 0 "[ . 1 . 2]" 2
52 1 80 VAL HB 1 81 THR H 3.000 . 4.250 3.423 3.253 3.550 . 0 0 "[ . 1 . 2]" 2
53 1 38 ASN QB 1 39 GLU H 2.980 . 4.210 2.917 2.188 3.680 . 0 0 "[ . 1 . 2]" 2
54 1 39 GLU QB 1 40 LEU H 3.170 . 4.590 2.965 2.154 3.715 . 0 0 "[ . 1 . 2]" 2
55 1 63 ASP HA 1 64 GLY H 3.500 . 5.300 3.316 2.843 3.576 . 0 0 "[ . 1 . 2]" 2
56 1 63 ASP HB2 1 64 GLY H 2.990 . 4.230 3.722 2.564 4.553 0.323 20 0 "[ . 1 . 2]" 2
57 1 17 TYR HA 1 18 SER H 3.170 . 4.590 3.530 2.901 3.586 . 0 0 "[ . 1 . 2]" 2
58 1 51 GLU HA 1 52 VAL H 3.210 . 4.670 3.583 3.552 3.594 . 0 0 "[ . 1 . 2]" 2
59 1 51 GLU QB 1 52 VAL H 3.810 . 5.920 2.172 1.896 2.761 . 0 0 "[ . 1 . 2]" 2
60 1 51 GLU QG 1 52 VAL H 3.850 . 6.000 3.820 1.844 4.447 . 0 0 "[ . 1 . 2]" 2
61 1 72 GLU QB 1 73 PHE H 3.150 . 4.550 3.207 2.573 3.639 . 0 0 "[ . 1 . 2]" 2
62 1 72 GLU QG 1 73 PHE H 3.850 . 6.000 3.143 2.023 3.729 . 0 0 "[ . 1 . 2]" 2
63 1 71 GLN H 1 72 GLU QG 3.850 . 6.000 4.640 3.655 6.373 0.373 14 0 "[ . 1 . 2]" 2
64 1 21 GLU HA 1 22 GLY H 3.120 . 4.500 2.381 2.191 2.501 . 0 0 "[ . 1 . 2]" 2
65 1 21 GLU QB 1 22 GLY H 3.850 . 6.000 3.403 2.473 4.068 . 0 0 "[ . 1 . 2]" 2
66 1 2 GLU QB 1 3 LEU H 2.870 . 3.980 2.243 1.855 3.273 . 0 0 "[ . 1 . 2]" 2
67 1 31 GLU QB 1 32 LEU H 3.230 . 4.710 2.586 2.476 2.687 . 0 0 "[ . 1 . 2]" 2
68 1 60 LEU HA 1 61 ASP H 3.230 . 4.710 3.447 2.790 3.588 . 0 0 "[ . 1 . 2]" 2
69 1 14 PHE HA 1 15 HIS H 3.480 . 5.210 3.569 3.554 3.583 . 0 0 "[ . 1 . 2]" 2
70 1 53 VAL HA 1 54 ASP H 2.870 . 3.980 3.503 3.447 3.564 . 0 0 "[ . 1 . 2]" 2
71 1 54 ASP HA 1 55 LYS H 3.080 . 4.410 3.522 3.457 3.578 . 0 0 "[ . 1 . 2]" 2
72 1 9 ALA HA 1 10 LEU H 3.440 . 5.130 3.584 3.543 3.590 . 0 0 "[ . 1 . 2]" 2
73 1 81 THR HA 1 82 THR H 3.140 . 4.530 3.590 3.575 3.606 . 0 0 "[ . 1 . 2]" 2
74 1 81 THR HB 1 82 THR H 2.930 . 4.160 2.398 2.135 3.665 . 0 0 "[ . 1 . 2]" 2
75 1 3 LEU H 1 4 GLU H 3.020 . 4.250 2.553 2.408 2.863 . 0 0 "[ . 1 . 2]" 2
76 1 2 GLU HA 1 3 LEU H 2.650 . 3.500 3.570 3.492 3.589 0.089 1 0 "[ . 1 . 2]" 2
77 1 4 GLU H 1 5 LYS H 2.960 . 4.120 2.900 2.488 3.029 . 0 0 "[ . 1 . 2]" 2
78 1 5 LYS H 1 6 ALA H 2.960 . 4.130 2.689 2.594 2.829 . 0 0 "[ . 1 . 2]" 2
79 1 4 GLU HA 1 5 LYS H 3.120 . 4.450 3.586 3.582 3.589 . 0 0 "[ . 1 . 2]" 2
80 1 6 ALA H 1 7 MET H 2.940 . 4.080 2.595 2.350 2.958 . 0 0 "[ . 1 . 2]" 2
81 1 10 LEU H 1 11 ILE H 3.300 . 4.800 2.916 2.662 3.226 . 0 0 "[ . 1 . 2]" 2
82 1 11 ILE H 1 12 ASP H 2.750 . 3.710 2.782 2.559 2.962 . 0 0 "[ . 1 . 2]" 2
83 1 12 ASP H 1 13 VAL H 2.790 . 3.780 2.682 2.596 2.830 . 0 0 "[ . 1 . 2]" 2
84 1 13 VAL H 1 14 PHE H 2.790 . 3.770 2.408 2.296 2.704 . 0 0 "[ . 1 . 2]" 2
85 1 13 VAL HA 1 14 PHE H 3.300 . 4.800 3.523 3.434 3.576 . 0 0 "[ . 1 . 2]" 2
86 1 14 PHE H 1 15 HIS H 2.870 . 3.930 2.680 2.395 3.007 . 0 0 "[ . 1 . 2]" 2
87 1 15 HIS H 1 16 GLN H 2.900 . 4.000 2.498 2.425 2.785 . 0 0 "[ . 1 . 2]" 2
88 1 15 HIS HD1 1 16 GLN H 3.020 . 4.240 4.559 3.230 4.977 0.737 3 7 "[ + ** * 1 *. -*]" 2
89 1 16 GLN QB 1 17 TYR H 3.150 . 4.500 2.159 2.020 2.658 . 0 0 "[ . 1 . 2]" 2
90 1 17 TYR H 1 18 SER H 2.860 . 3.920 2.801 2.627 2.959 . 0 0 "[ . 1 . 2]" 2
91 1 16 GLN HA 1 17 TYR H 3.620 . 5.440 3.586 3.541 3.622 . 0 0 "[ . 1 . 2]" 2
92 1 18 SER H 1 19 GLY H 2.670 . 3.530 2.608 2.230 2.939 . 0 0 "[ . 1 . 2]" 2
93 1 17 TYR QB 1 18 SER H 2.900 . 4.000 2.600 1.838 4.014 0.014 20 0 "[ . 1 . 2]" 2
94 1 19 GLY H 1 20 ARG H 2.830 . 3.850 2.648 2.535 2.801 . 0 0 "[ . 1 . 2]" 2
95 1 18 SER QB 1 19 GLY H 3.180 . 4.560 3.289 2.792 4.041 . 0 0 "[ . 1 . 2]" 2
96 1 18 SER HA 1 19 GLY H 3.230 . 4.670 3.426 2.991 3.569 . 0 0 "[ . 1 . 2]" 2
97 1 20 ARG H 1 21 GLU H 2.850 . 3.900 2.593 2.283 2.985 . 0 0 "[ . 1 . 2]" 2
98 1 20 ARG H 1 21 GLU QG 3.240 . 4.680 5.724 3.491 6.579 1.899 7 17 "[* **.*+-******.*****]" 2
99 1 20 ARG HA 1 21 GLU H 3.070 . 4.340 3.542 3.422 3.589 . 0 0 "[ . 1 . 2]" 2
100 1 21 GLU H 1 22 GLY H 2.710 . 3.630 4.308 3.595 4.676 1.046 11 12 "[ **.** *+** * -**]" 2
101 1 25 HIS HA 1 26 LYS H 2.980 . 4.160 3.413 2.947 3.591 . 0 0 "[ . 1 . 2]" 2
102 1 26 LYS H 1 27 LEU H 2.590 . 3.380 4.443 4.381 4.527 1.147 11 20 [*******-**+*********] 2
103 1 26 LYS HA 1 27 LEU H 2.850 . 3.890 2.469 2.271 2.505 . 0 0 "[ . 1 . 2]" 2
104 1 26 LYS QB 1 27 LEU H 3.170 . 4.540 2.410 2.312 2.962 . 0 0 "[ . 1 . 2]" 2
105 1 27 LEU QB 1 28 LYS H 3.600 . 5.410 2.748 2.351 3.261 . 0 0 "[ . 1 . 2]" 2
106 1 28 LYS QB 1 29 LYS H 2.910 . 4.020 3.708 2.433 4.084 0.064 2 0 "[ . 1 . 2]" 2
107 1 30 SER H 1 31 GLU H 3.600 . 5.400 2.882 2.497 3.150 . 0 0 "[ . 1 . 2]" 2
108 1 29 LYS HA 1 30 SER H 2.350 . 2.900 3.535 3.491 3.580 0.680 17 20 [****************+-**] 2
109 1 30 SER QB 1 31 GLU H 3.570 . 5.340 2.733 2.216 3.534 . 0 0 "[ . 1 . 2]" 2
110 1 31 GLU H 1 32 LEU H 3.420 . 5.040 2.719 2.564 2.927 . 0 0 "[ . 1 . 2]" 2
111 1 30 SER HA 1 31 GLU H 3.900 . 6.000 3.571 3.519 3.599 . 0 0 "[ . 1 . 2]" 2
112 1 31 GLU HA 1 32 LEU H 3.020 . 4.240 3.515 3.499 3.530 . 0 0 "[ . 1 . 2]" 2
113 1 32 LEU H 1 33 LYS H 2.700 . 3.600 2.993 2.798 3.141 . 0 0 "[ . 1 . 2]" 2
114 1 32 LEU HA 1 33 LYS H 2.580 . 3.370 3.588 3.581 3.595 0.225 18 0 "[ . 1 . 2]" 2
115 1 32 LEU QB 1 33 LYS H 2.810 . 3.830 2.103 1.928 2.324 . 0 0 "[ . 1 . 2]" 2
116 1 34 GLU H 1 35 LEU H 2.940 . 4.080 2.847 2.680 3.031 . 0 0 "[ . 1 . 2]" 2
117 1 35 LEU H 1 36 ILE H 2.730 . 3.650 2.889 2.549 3.086 . 0 0 "[ . 1 . 2]" 2
118 1 34 GLU HA 1 35 LEU H 3.260 . 4.720 3.576 3.538 3.587 . 0 0 "[ . 1 . 2]" 2
119 1 36 ILE H 1 37 ASN H 2.680 . 3.560 2.668 2.404 3.034 . 0 0 "[ . 1 . 2]" 2
120 1 35 LEU HA 1 36 ILE H 3.070 . 4.340 3.554 3.470 3.597 . 0 0 "[ . 1 . 2]" 2
121 1 37 ASN HA 1 38 ASN H 3.290 . 4.780 3.367 3.136 3.586 . 0 0 "[ . 1 . 2]" 2
122 1 38 ASN H 1 39 GLU H 2.650 . 3.500 2.321 1.903 3.336 . 0 0 "[ . 1 . 2]" 2
123 1 39 GLU H 1 40 LEU H 2.630 . 3.460 2.112 1.846 2.829 . 0 0 "[ . 1 . 2]" 2
124 1 38 ASN HA 1 39 GLU H 3.060 . 4.330 3.448 3.083 3.594 . 0 0 "[ . 1 . 2]" 2
125 1 39 GLU HA 1 40 LEU H 3.120 . 4.440 3.515 3.383 3.587 . 0 0 "[ . 1 . 2]" 2
126 1 40 LEU H 1 41 SER H 2.590 . 3.380 3.098 2.093 3.581 0.201 6 0 "[ . 1 . 2]" 2
127 1 41 SER H 1 42 HIS H 2.680 . 3.560 2.561 1.951 3.416 . 0 0 "[ . 1 . 2]" 2
128 1 42 HIS H 1 43 PHE HA 3.590 . 5.380 4.898 4.315 5.532 0.152 18 0 "[ . 1 . 2]" 2
129 1 41 SER QB 1 42 HIS H 3.310 . 4.820 3.387 2.147 3.977 . 0 0 "[ . 1 . 2]" 2
130 1 42 HIS H 1 43 PHE H 3.000 . 4.200 2.406 1.855 3.222 . 0 0 "[ . 1 . 2]" 2
131 1 43 PHE H 1 44 LEU H 2.690 . 3.570 2.671 1.865 3.486 . 0 0 "[ . 1 . 2]" 2
132 1 42 HIS HA 1 43 PHE H 3.450 . 5.100 3.498 3.047 3.589 . 0 0 "[ . 1 . 2]" 2
133 1 44 LEU H 1 45 GLU H 2.720 . 3.640 3.121 1.957 4.690 1.050 12 4 "[ * . - * + . 2]" 2
134 1 45 GLU H 1 46 GLU H 3.770 . 5.750 3.336 1.981 4.456 . 0 0 "[ . 1 . 2]" 2
135 1 44 LEU QB 1 45 GLU H 3.750 . 5.700 3.290 1.861 3.997 . 0 0 "[ . 1 . 2]" 2
136 1 47 ILE H 1 48 LYS H 3.900 . 6.000 3.594 1.896 4.688 . 0 0 "[ . 1 . 2]" 2
137 1 49 GLU H 1 50 GLN H 2.690 . 3.580 2.570 1.836 4.479 0.899 20 1 "[ . 1 . +]" 2
138 1 49 GLU HA 1 50 GLN H 2.860 . 3.920 3.064 2.339 3.570 . 0 0 "[ . 1 . 2]" 2
139 1 52 VAL H 1 53 VAL H 2.980 . 4.160 2.291 2.199 2.442 . 0 0 "[ . 1 . 2]" 2
140 1 54 ASP H 1 55 LYS H 2.870 . 3.940 2.317 2.203 2.574 . 0 0 "[ . 1 . 2]" 2
141 1 55 LYS H 1 56 VAL H 2.880 . 3.960 2.529 2.347 2.754 . 0 0 "[ . 1 . 2]" 2
142 1 56 VAL H 1 57 MET H 2.810 . 3.830 2.753 2.346 2.970 . 0 0 "[ . 1 . 2]" 2
143 1 56 VAL H 1 57 MET QG 3.900 . 6.000 6.040 5.281 6.464 0.464 4 0 "[ . 1 . 2]" 2
144 1 56 VAL QG 1 57 MET H 3.540 . 5.280 1.837 1.727 2.501 0.073 10 0 "[ . 1 . 2]" 2
145 1 57 MET QG 1 58 GLU H 3.560 . 5.330 4.029 3.083 4.693 . 0 0 "[ . 1 . 2]" 2
146 1 58 GLU H 1 59 THR H 2.920 . 4.040 2.632 2.339 2.927 . 0 0 "[ . 1 . 2]" 2
147 1 57 MET HA 1 58 GLU H 3.060 . 4.320 3.535 3.484 3.583 . 0 0 "[ . 1 . 2]" 2
148 1 59 THR H 1 60 LEU H 2.890 . 3.980 2.665 2.306 2.964 . 0 0 "[ . 1 . 2]" 2
149 1 59 THR HG1 1 60 LEU H 3.620 . 5.450 2.827 1.726 3.675 0.074 18 0 "[ . 1 . 2]" 2
150 1 61 ASP H 1 62 ASN H 2.770 . 3.730 4.284 3.727 4.471 0.741 11 12 "[ * .* * *+** .***-*]" 2
151 1 61 ASP HB3 1 62 ASN H 3.210 . 4.620 4.179 3.652 4.616 . 0 0 "[ . 1 . 2]" 2
152 1 62 ASN H 1 63 ASP H 3.640 . 5.480 2.550 1.870 3.001 . 0 0 "[ . 1 . 2]" 2
153 1 63 ASP H 1 64 GLY H 2.650 . 3.500 2.033 1.852 2.498 . 0 0 "[ . 1 . 2]" 2
154 1 62 ASN HA 1 63 ASP H 2.460 . 3.120 3.383 3.023 3.586 0.466 16 0 "[ . 1 . 2]" 2
155 1 64 GLY H 1 65 ASP H 2.580 . 3.350 3.122 2.639 3.399 0.049 16 0 "[ . 1 . 2]" 2
156 1 65 ASP H 1 66 GLY H 2.730 . 3.660 1.843 1.787 1.865 0.013 19 0 "[ . 1 . 2]" 2
157 1 66 GLY H 1 67 GLU H 2.680 . 3.560 2.401 2.002 3.113 . 0 0 "[ . 1 . 2]" 2
158 1 67 GLU H 1 68 CYS H 2.700 . 3.600 4.234 3.523 4.600 1.000 14 15 "[***-.* **1***+* * **]" 2
159 1 68 CYS H 1 69 ASP H 3.400 . 5.000 4.638 4.533 4.664 . 0 0 "[ . 1 . 2]" 2
160 1 68 CYS HA 1 69 ASP H 2.460 . 3.120 2.312 2.156 2.469 . 0 0 "[ . 1 . 2]" 2
161 1 68 CYS QB 1 69 ASP H 3.360 . 4.920 3.263 2.408 3.675 . 0 0 "[ . 1 . 2]" 2
162 1 69 ASP QB 1 70 PHE H 2.790 . 3.790 2.509 2.320 3.170 . 0 0 "[ . 1 . 2]" 2
163 1 69 ASP H 1 70 PHE H 3.420 . 5.040 4.513 4.468 4.584 . 0 0 "[ . 1 . 2]" 2
164 1 71 GLN H 1 72 GLU H 2.900 . 4.000 2.784 2.640 2.913 . 0 0 "[ . 1 . 2]" 2
165 1 72 GLU H 1 73 PHE H 2.770 . 3.750 2.457 2.346 2.570 . 0 0 "[ . 1 . 2]" 2
166 1 72 GLU HA 1 73 PHE H 3.170 . 4.550 3.480 3.392 3.588 . 0 0 "[ . 1 . 2]" 2
167 1 73 PHE QB 1 74 MET H 2.900 . 4.000 2.325 2.006 2.500 . 0 0 "[ . 1 . 2]" 2
168 1 74 MET H 1 75 ALA H 2.780 . 3.760 2.703 2.561 2.966 . 0 0 "[ . 1 . 2]" 2
169 1 74 MET QB 1 75 ALA H 3.000 . 4.200 2.623 2.279 3.432 . 0 0 "[ . 1 . 2]" 2
170 1 74 MET HA 1 75 ALA H 3.120 . 4.450 3.570 3.530 3.595 . 0 0 "[ . 1 . 2]" 2
171 1 75 ALA H 1 76 PHE H 2.900 . 4.000 2.589 2.471 2.689 . 0 0 "[ . 1 . 2]" 2
172 1 77 VAL H 1 78 ALA H 2.700 . 3.600 2.655 2.519 2.789 . 0 0 "[ . 1 . 2]" 2
173 1 76 PHE HA 1 77 VAL H 2.940 . 4.080 3.581 3.565 3.590 . 0 0 "[ . 1 . 2]" 2
174 1 77 VAL HA 1 78 ALA H 3.210 . 4.620 3.480 3.436 3.542 . 0 0 "[ . 1 . 2]" 2
175 1 78 ALA HA 1 79 MET H 3.340 . 4.880 3.554 3.495 3.580 . 0 0 "[ . 1 . 2]" 2
176 1 79 MET H 1 80 VAL H 2.830 . 3.870 2.851 2.737 2.962 . 0 0 "[ . 1 . 2]" 2
177 1 80 VAL H 1 81 THR H 2.810 . 3.810 2.875 2.655 2.951 . 0 0 "[ . 1 . 2]" 2
178 1 79 MET HA 1 80 VAL H 3.250 . 4.700 3.575 3.560 3.593 . 0 0 "[ . 1 . 2]" 2
179 1 81 THR H 1 82 THR H 2.900 . 4.000 2.731 2.442 2.874 . 0 0 "[ . 1 . 2]" 2
180 1 80 VAL HA 1 81 THR H 3.240 . 4.680 3.472 3.372 3.498 . 0 0 "[ . 1 . 2]" 2
181 1 82 THR H 1 83 ALA H 3.030 . 4.260 2.505 2.335 2.603 . 0 0 "[ . 1 . 2]" 2
182 1 83 ALA H 1 84 CYS H 3.090 . 4.380 3.003 2.929 3.050 . 0 0 "[ . 1 . 2]" 2
183 1 83 ALA HA 1 84 CYS H 3.280 . 4.760 3.553 3.514 3.575 . 0 0 "[ . 1 . 2]" 2
184 1 84 CYS H 1 85 HIS H 2.790 . 3.790 2.547 2.279 2.886 . 0 0 "[ . 1 . 2]" 2
185 1 84 CYS HA 1 85 HIS H 2.960 . 4.130 3.563 3.506 3.590 . 0 0 "[ . 1 . 2]" 2
186 1 86 GLU H 1 87 PHE H 2.980 . 4.170 2.520 2.269 2.874 . 0 0 "[ . 1 . 2]" 2
187 1 86 GLU QB 1 87 PHE H 3.150 . 4.500 2.819 2.347 3.727 . 0 0 "[ . 1 . 2]" 2
188 1 87 PHE H 1 88 PHE H 2.870 . 3.930 2.759 2.373 3.120 . 0 0 "[ . 1 . 2]" 2
189 1 86 GLU HA 1 87 PHE H 3.060 . 4.330 3.518 3.383 3.581 . 0 0 "[ . 1 . 2]" 2
190 1 88 PHE QD 1 89 GLU H 3.330 . 4.870 3.883 2.518 4.677 . 0 0 "[ . 1 . 2]" 2
191 1 89 GLU HB2 1 90 HIS H 3.140 . 4.480 3.833 2.387 4.691 0.211 14 0 "[ . 1 . 2]" 2
192 1 89 GLU HB3 1 90 HIS H 3.180 . 4.560 3.372 1.967 4.676 0.116 17 0 "[ . 1 . 2]" 2
193 1 90 HIS QB 1 91 GLU H 3.860 . 5.920 3.249 2.154 3.944 . 0 0 "[ . 1 . 2]" 2
194 1 32 LEU H 1 33 LYS QD 3.900 . 6.000 6.839 6.239 7.330 1.330 9 18 "[*******-+******* **2]" 2
195 1 42 HIS QB 1 43 PHE H 3.900 . 6.000 2.603 1.893 4.012 . 0 0 "[ . 1 . 2]" 2
196 1 67 GLU H 1 68 CYS HG 3.900 . 6.000 7.760 5.027 8.753 2.753 6 18 "[ ***.+***********-**]" 2
197 1 68 CYS H 1 69 ASP HA 3.900 . 6.000 5.430 5.352 5.464 . 0 0 "[ . 1 . 2]" 2
198 1 70 PHE H 1 71 GLN H 3.900 . 6.000 2.903 2.809 3.174 . 0 0 "[ . 1 . 2]" 2
199 1 73 PHE H 1 74 MET H 3.900 . 6.000 2.796 2.591 2.935 . 0 0 "[ . 1 . 2]" 2
200 2 76 PHE QB 2 77 VAL H 3.270 . 4.790 2.224 1.873 2.747 . 0 0 "[ . 1 . 2]" 2
201 2 79 MET QB 2 80 VAL H 3.150 . 4.550 2.015 1.910 2.183 . 0 0 "[ . 1 . 2]" 2
202 2 84 CYS QB 2 85 HIS H 3.270 . 4.790 2.569 2.313 2.886 . 0 0 "[ . 1 . 2]" 2
203 2 10 LEU HA 2 11 ILE H 3.020 . 4.290 3.558 3.466 3.591 . 0 0 "[ . 1 . 2]" 2
204 2 10 LEU QB 2 11 ILE H 3.200 . 4.650 2.585 2.232 3.047 . 0 0 "[ . 1 . 2]" 2
205 2 69 ASP HA 2 70 PHE H 2.360 . 2.970 2.526 2.511 2.551 . 0 0 "[ . 1 . 2]" 2
206 2 13 VAL HB 2 14 PHE H 3.010 . 4.300 3.290 2.762 4.037 . 0 0 "[ . 1 . 2]" 2
207 2 55 LYS HA 2 56 VAL H 3.310 . 4.910 3.570 3.535 3.590 . 0 0 "[ . 1 . 2]" 2
208 2 55 LYS QB 2 56 VAL H 3.030 . 4.290 2.534 2.333 2.760 . 0 0 "[ . 1 . 2]" 2
209 2 70 PHE HA 2 71 GLN H 2.830 . 3.910 3.581 3.558 3.595 . 0 0 "[ . 1 . 2]" 2
210 2 70 PHE HB3 2 71 GLN H 2.810 . 3.870 2.415 2.001 2.610 . 0 0 "[ . 1 . 2]" 2
211 2 70 PHE HB2 2 71 GLN H 2.850 . 3.950 3.225 3.136 3.345 . 0 0 "[ . 1 . 2]" 2
212 2 35 LEU QB 2 36 ILE H 3.150 . 4.550 2.606 2.161 3.075 . 0 0 "[ . 1 . 2]" 2
213 2 40 LEU HA 2 41 SER H 3.000 . 4.300 2.982 2.410 3.585 . 0 0 "[ . 1 . 2]" 2
214 2 47 ILE HA 2 48 LYS H 3.500 . 5.300 2.900 2.202 3.546 . 0 0 "[ . 1 . 2]" 2
215 2 52 VAL HA 2 53 VAL H 3.140 . 4.530 3.446 3.379 3.496 . 0 0 "[ . 1 . 2]" 2
216 2 52 VAL HB 2 53 VAL H 3.400 . 5.050 3.167 2.976 3.361 . 0 0 "[ . 1 . 2]" 2
217 2 59 THR HA 2 60 LEU H 3.480 . 5.260 3.516 3.361 3.594 . 0 0 "[ . 1 . 2]" 2
218 2 59 THR HB 2 60 LEU H 3.100 . 4.450 2.852 1.995 4.123 . 0 0 "[ . 1 . 2]" 2
219 2 87 PHE HA 2 88 PHE H 3.210 . 4.670 3.531 3.450 3.587 . 0 0 "[ . 1 . 2]" 2
220 2 87 PHE QB 2 88 PHE H 3.250 . 4.750 2.714 2.241 3.051 . 0 0 "[ . 1 . 2]" 2
221 2 90 HIS HA 2 91 GLU H 3.170 . 4.590 2.418 2.191 2.834 . 0 0 "[ . 1 . 2]" 2
222 2 15 HIS HA 2 16 GLN H 3.040 . 4.330 3.529 3.380 3.589 . 0 0 "[ . 1 . 2]" 2
223 2 71 GLN HA 2 72 GLU H 3.020 . 4.290 3.528 3.445 3.582 . 0 0 "[ . 1 . 2]" 2
224 2 71 GLN QB 2 72 GLU H 2.190 . 2.670 3.099 2.343 3.602 0.932 7 13 "[ *-***+ *** *.* * *]" 2
225 2 88 PHE HA 2 89 GLU H 3.190 . 4.630 3.544 3.383 3.588 . 0 0 "[ . 1 . 2]" 2
226 2 88 PHE QB 2 89 GLU H 2.980 . 4.260 2.572 1.899 3.613 . 0 0 "[ . 1 . 2]" 2
227 2 89 GLU HA 2 90 HIS H 2.900 . 4.050 2.516 2.191 3.560 . 0 0 "[ . 1 . 2]" 2
228 2 48 LYS HA 2 49 GLU QG 3.620 . 5.540 5.003 3.587 6.138 0.598 15 1 "[ . 1 + 2]" 2
229 2 48 LYS HA 2 49 GLU H 2.690 . 3.630 3.300 2.595 3.592 . 0 0 "[ . 1 . 2]" 2
230 2 48 LYS QG 2 49 GLU QG 3.520 . 5.330 4.593 1.855 6.989 1.659 1 6 "[+ * 1*- *. *]" 2
231 2 27 LEU HA 2 28 LYS H 2.940 . 4.130 2.255 2.186 2.455 . 0 0 "[ . 1 . 2]" 2
232 2 34 GLU QB 2 35 LEU H 3.000 . 4.230 2.428 1.895 3.525 . 0 0 "[ . 1 . 2]" 2
233 2 49 GLU QB 2 50 GLN H 3.720 . 5.740 3.364 2.018 4.067 . 0 0 "[ . 1 . 2]" 2
234 2 49 GLU QG 2 50 GLN H 3.850 . 6.000 3.844 1.847 4.887 . 0 0 "[ . 1 . 2]" 2
235 2 6 ALA HA 2 7 MET H 3.010 . 4.270 3.451 3.381 3.588 . 0 0 "[ . 1 . 2]" 2
236 2 6 ALA MB 2 7 MET H 3.230 . 4.710 2.923 2.138 3.172 . 0 0 "[ . 1 . 2]" 2
237 2 56 VAL HA 2 57 MET H 3.310 . 4.870 3.576 3.544 3.601 . 0 0 "[ . 1 . 2]" 2
238 2 56 VAL HB 2 57 MET H 3.060 . 4.410 3.497 3.148 3.645 . 0 0 "[ . 1 . 2]" 2
239 2 11 ILE HB 2 12 ASP H 3.100 . 4.500 2.762 2.175 3.694 . 0 0 "[ . 1 . 2]" 2
240 2 28 LYS HA 2 29 LYS H 3.020 . 4.290 2.409 2.172 2.529 . 0 0 "[ . 1 . 2]" 2
241 2 28 LYS QD 2 29 LYS H 3.790 . 5.830 5.102 3.751 5.878 0.048 2 0 "[ . 1 . 2]" 2
242 2 33 LYS HA 2 34 GLU H 3.110 . 4.470 3.537 3.487 3.593 . 0 0 "[ . 1 . 2]" 2
243 2 33 LYS QB 2 34 GLU H 2.920 . 4.130 2.649 1.915 3.032 . 0 0 "[ . 1 . 2]" 2
244 2 36 ILE HA 2 37 ASN H 3.720 . 5.740 3.556 3.414 3.590 . 0 0 "[ . 1 . 2]" 2
245 2 41 SER HA 2 42 HIS H 2.900 . 4.050 3.148 2.486 3.590 . 0 0 "[ . 1 . 2]" 2
246 2 45 GLU QB 2 46 GLU H 3.110 . 4.520 3.340 1.870 4.066 . 0 0 "[ . 1 . 2]" 2
247 2 61 ASP HA 2 62 ASN H 3.170 . 4.590 2.274 2.194 2.497 . 0 0 "[ . 1 . 2]" 2
248 2 61 ASP HB2 2 62 ASN H 3.190 . 4.630 4.437 3.675 4.694 0.064 12 0 "[ . 1 . 2]" 2
249 2 58 GLU HA 2 59 THR H 3.100 . 4.500 3.569 3.527 3.588 . 0 0 "[ . 1 . 2]" 2
250 2 80 VAL HB 2 81 THR MG 3.850 . 6.000 5.489 3.853 5.815 . 0 0 "[ . 1 . 2]" 2
251 2 80 VAL HB 2 81 THR H 3.000 . 4.250 3.373 3.213 3.572 . 0 0 "[ . 1 . 2]" 2
252 2 38 ASN QB 2 39 GLU H 2.980 . 4.210 2.971 2.438 3.886 . 0 0 "[ . 1 . 2]" 2
253 2 39 GLU QB 2 40 LEU H 3.170 . 4.590 2.928 1.976 3.500 . 0 0 "[ . 1 . 2]" 2
254 2 63 ASP HA 2 64 GLY H 3.500 . 5.300 3.368 2.957 3.583 . 0 0 "[ . 1 . 2]" 2
255 2 63 ASP HB2 2 64 GLY H 2.990 . 4.230 3.752 2.856 4.490 0.260 1 0 "[ . 1 . 2]" 2
256 2 17 TYR HA 2 18 SER H 3.170 . 4.590 3.513 3.081 3.589 . 0 0 "[ . 1 . 2]" 2
257 2 51 GLU HA 2 52 VAL H 3.210 . 4.670 3.584 3.575 3.592 . 0 0 "[ . 1 . 2]" 2
258 2 51 GLU QB 2 52 VAL H 3.810 . 5.920 2.016 1.887 2.240 . 0 0 "[ . 1 . 2]" 2
259 2 51 GLU QG 2 52 VAL H 3.850 . 6.000 3.780 2.777 4.255 . 0 0 "[ . 1 . 2]" 2
260 2 72 GLU QB 2 73 PHE H 3.150 . 4.550 3.133 2.527 3.608 . 0 0 "[ . 1 . 2]" 2
261 2 72 GLU QG 2 73 PHE H 3.850 . 6.000 3.404 1.950 3.741 . 0 0 "[ . 1 . 2]" 2
262 2 71 GLN H 2 72 GLU QG 3.850 . 6.000 4.211 3.624 6.310 0.310 19 0 "[ . 1 . 2]" 2
263 2 21 GLU HA 2 22 GLY H 3.120 . 4.500 2.348 2.191 2.503 . 0 0 "[ . 1 . 2]" 2
264 2 21 GLU QB 2 22 GLY H 3.850 . 6.000 3.219 2.335 4.069 . 0 0 "[ . 1 . 2]" 2
265 2 2 GLU QB 2 3 LEU H 2.870 . 3.980 2.193 1.810 2.733 . 0 0 "[ . 1 . 2]" 2
266 2 31 GLU QB 2 32 LEU H 3.230 . 4.710 2.582 2.484 2.741 . 0 0 "[ . 1 . 2]" 2
267 2 60 LEU HA 2 61 ASP H 3.230 . 4.710 3.526 3.374 3.589 . 0 0 "[ . 1 . 2]" 2
268 2 14 PHE HA 2 15 HIS H 3.480 . 5.210 3.571 3.552 3.586 . 0 0 "[ . 1 . 2]" 2
269 2 53 VAL HA 2 54 ASP H 2.870 . 3.980 3.490 3.422 3.541 . 0 0 "[ . 1 . 2]" 2
270 2 54 ASP HA 2 55 LYS H 3.080 . 4.410 3.536 3.488 3.586 . 0 0 "[ . 1 . 2]" 2
271 2 9 ALA HA 2 10 LEU H 3.440 . 5.130 3.581 3.565 3.589 . 0 0 "[ . 1 . 2]" 2
272 2 81 THR HA 2 82 THR H 3.140 . 4.530 3.589 3.572 3.596 . 0 0 "[ . 1 . 2]" 2
273 2 81 THR HB 2 82 THR H 2.930 . 4.160 2.207 2.085 2.782 . 0 0 "[ . 1 . 2]" 2
274 2 3 LEU H 2 4 GLU H 3.020 . 4.250 2.551 2.421 2.716 . 0 0 "[ . 1 . 2]" 2
275 2 2 GLU HA 2 3 LEU H 2.650 . 3.500 3.572 3.497 3.589 0.089 1 0 "[ . 1 . 2]" 2
276 2 4 GLU H 2 5 LYS H 2.960 . 4.120 2.892 2.653 3.057 . 0 0 "[ . 1 . 2]" 2
277 2 5 LYS H 2 6 ALA H 2.960 . 4.130 2.708 2.436 2.871 . 0 0 "[ . 1 . 2]" 2
278 2 4 GLU HA 2 5 LYS H 3.120 . 4.450 3.583 3.530 3.589 . 0 0 "[ . 1 . 2]" 2
279 2 6 ALA H 2 7 MET H 2.940 . 4.080 2.611 2.352 2.972 . 0 0 "[ . 1 . 2]" 2
280 2 10 LEU H 2 11 ILE H 3.300 . 4.800 2.873 2.665 3.049 . 0 0 "[ . 1 . 2]" 2
281 2 11 ILE H 2 12 ASP H 2.750 . 3.710 2.782 2.573 2.974 . 0 0 "[ . 1 . 2]" 2
282 2 12 ASP H 2 13 VAL H 2.790 . 3.780 2.723 2.574 2.972 . 0 0 "[ . 1 . 2]" 2
283 2 13 VAL H 2 14 PHE H 2.790 . 3.770 2.507 2.300 2.883 . 0 0 "[ . 1 . 2]" 2
284 2 13 VAL HA 2 14 PHE H 3.300 . 4.800 3.535 3.434 3.603 . 0 0 "[ . 1 . 2]" 2
285 2 14 PHE H 2 15 HIS H 2.870 . 3.930 2.738 2.446 3.073 . 0 0 "[ . 1 . 2]" 2
286 2 15 HIS H 2 16 GLN H 2.900 . 4.000 2.575 2.408 2.940 . 0 0 "[ . 1 . 2]" 2
287 2 15 HIS HD1 2 16 GLN H 3.020 . 4.240 4.485 3.234 4.930 0.690 7 7 "[* .*+* 1 -.* *2]" 2
288 2 16 GLN QB 2 17 TYR H 3.150 . 4.500 2.164 1.880 2.615 . 0 0 "[ . 1 . 2]" 2
289 2 17 TYR H 2 18 SER H 2.860 . 3.920 2.781 2.614 2.926 . 0 0 "[ . 1 . 2]" 2
290 2 16 GLN HA 2 17 TYR H 3.620 . 5.440 3.580 3.543 3.588 . 0 0 "[ . 1 . 2]" 2
291 2 18 SER H 2 19 GLY H 2.670 . 3.530 2.751 2.317 3.358 . 0 0 "[ . 1 . 2]" 2
292 2 17 TYR QB 2 18 SER H 2.900 . 4.000 2.666 1.846 4.038 0.038 3 0 "[ . 1 . 2]" 2
293 2 19 GLY H 2 20 ARG H 2.830 . 3.850 2.538 2.203 3.412 . 0 0 "[ . 1 . 2]" 2
294 2 18 SER QB 2 19 GLY H 3.180 . 4.560 3.519 2.530 4.053 . 0 0 "[ . 1 . 2]" 2
295 2 18 SER HA 2 19 GLY H 3.230 . 4.670 3.290 2.721 3.583 . 0 0 "[ . 1 . 2]" 2
296 2 20 ARG H 2 21 GLU H 2.850 . 3.900 2.652 2.266 3.003 . 0 0 "[ . 1 . 2]" 2
297 2 20 ARG H 2 21 GLU QG 3.240 . 4.680 5.050 3.658 6.488 1.808 2 11 "[*+*** *** * . -*]" 2
298 2 20 ARG HA 2 21 GLU H 3.070 . 4.340 3.531 3.384 3.589 . 0 0 "[ . 1 . 2]" 2
299 2 21 GLU H 2 22 GLY H 2.710 . 3.630 4.197 3.515 4.680 1.050 8 13 "[ *. *+*** *-** ***]" 2
300 2 25 HIS HA 2 26 LYS H 2.980 . 4.160 3.355 3.006 3.549 . 0 0 "[ . 1 . 2]" 2
301 2 26 LYS H 2 27 LEU H 2.590 . 3.380 4.441 4.238 4.533 1.153 13 20 [*********-**+*******] 2
302 2 26 LYS HA 2 27 LEU H 2.850 . 3.890 2.461 2.271 2.510 . 0 0 "[ . 1 . 2]" 2
303 2 26 LYS QB 2 27 LEU H 3.170 . 4.540 2.446 2.325 2.922 . 0 0 "[ . 1 . 2]" 2
304 2 27 LEU QB 2 28 LYS H 3.600 . 5.410 2.987 2.368 3.373 . 0 0 "[ . 1 . 2]" 2
305 2 28 LYS QB 2 29 LYS H 2.910 . 4.020 3.469 2.395 4.080 0.060 13 0 "[ . 1 . 2]" 2
306 2 30 SER H 2 31 GLU H 3.600 . 5.400 2.864 2.574 3.216 . 0 0 "[ . 1 . 2]" 2
307 2 29 LYS HA 2 30 SER H 2.350 . 2.900 3.525 3.487 3.570 0.670 9 20 [-*******+***********] 2
308 2 30 SER QB 2 31 GLU H 3.570 . 5.340 2.581 2.097 3.091 . 0 0 "[ . 1 . 2]" 2
309 2 31 GLU H 2 32 LEU H 3.420 . 5.040 2.782 2.626 3.057 . 0 0 "[ . 1 . 2]" 2
310 2 30 SER HA 2 31 GLU H 3.900 . 6.000 3.584 3.523 3.609 . 0 0 "[ . 1 . 2]" 2
311 2 31 GLU HA 2 32 LEU H 3.020 . 4.240 3.518 3.496 3.556 . 0 0 "[ . 1 . 2]" 2
312 2 32 LEU H 2 33 LYS H 2.700 . 3.600 2.973 2.515 3.169 . 0 0 "[ . 1 . 2]" 2
313 2 32 LEU HA 2 33 LYS H 2.580 . 3.370 3.584 3.544 3.597 0.227 1 0 "[ . 1 . 2]" 2
314 2 32 LEU QB 2 33 LYS H 2.810 . 3.830 2.147 1.922 3.432 . 0 0 "[ . 1 . 2]" 2
315 2 34 GLU H 2 35 LEU H 2.940 . 4.080 2.905 2.518 3.063 . 0 0 "[ . 1 . 2]" 2
316 2 35 LEU H 2 36 ILE H 2.730 . 3.650 2.933 2.787 3.181 . 0 0 "[ . 1 . 2]" 2
317 2 34 GLU HA 2 35 LEU H 3.260 . 4.720 3.577 3.501 3.588 . 0 0 "[ . 1 . 2]" 2
318 2 36 ILE H 2 37 ASN H 2.680 . 3.560 2.705 2.438 2.973 . 0 0 "[ . 1 . 2]" 2
319 2 35 LEU HA 2 36 ILE H 3.070 . 4.340 3.551 3.470 3.586 . 0 0 "[ . 1 . 2]" 2
320 2 37 ASN HA 2 38 ASN H 3.290 . 4.780 3.338 3.085 3.588 . 0 0 "[ . 1 . 2]" 2
321 2 38 ASN H 2 39 GLU H 2.650 . 3.500 2.293 1.831 2.944 . 0 0 "[ . 1 . 2]" 2
322 2 39 GLU H 2 40 LEU H 2.630 . 3.460 2.035 1.837 2.857 . 0 0 "[ . 1 . 2]" 2
323 2 38 ASN HA 2 39 GLU H 3.060 . 4.330 3.449 3.000 3.582 . 0 0 "[ . 1 . 2]" 2
324 2 39 GLU HA 2 40 LEU H 3.120 . 4.440 3.494 3.380 3.585 . 0 0 "[ . 1 . 2]" 2
325 2 40 LEU H 2 41 SER H 2.590 . 3.380 3.072 2.208 3.534 0.154 3 0 "[ . 1 . 2]" 2
326 2 41 SER H 2 42 HIS H 2.680 . 3.560 2.671 1.859 3.839 0.279 8 0 "[ . 1 . 2]" 2
327 2 42 HIS H 2 43 PHE HA 3.590 . 5.380 4.977 4.388 5.666 0.286 19 0 "[ . 1 . 2]" 2
328 2 41 SER QB 2 42 HIS H 3.310 . 4.820 3.428 1.945 4.058 . 0 0 "[ . 1 . 2]" 2
329 2 42 HIS H 2 43 PHE H 3.000 . 4.200 2.584 1.818 3.628 . 0 0 "[ . 1 . 2]" 2
330 2 43 PHE H 2 44 LEU H 2.690 . 3.570 2.546 1.869 3.088 . 0 0 "[ . 1 . 2]" 2
331 2 42 HIS HA 2 43 PHE H 3.450 . 5.100 3.404 2.231 3.585 . 0 0 "[ . 1 . 2]" 2
332 2 44 LEU H 2 45 GLU H 2.720 . 3.640 3.055 1.847 4.705 1.065 11 4 "[ * - 1+ .* 2]" 2
333 2 45 GLU H 2 46 GLU H 3.770 . 5.750 3.612 2.570 4.694 . 0 0 "[ . 1 . 2]" 2
334 2 44 LEU QB 2 45 GLU H 3.750 . 5.700 3.348 1.941 4.054 . 0 0 "[ . 1 . 2]" 2
335 2 47 ILE H 2 48 LYS H 3.900 . 6.000 3.408 2.147 4.484 . 0 0 "[ . 1 . 2]" 2
336 2 49 GLU H 2 50 GLN H 2.690 . 3.580 2.522 1.854 4.601 1.021 17 1 "[ . 1 . + 2]" 2
337 2 49 GLU HA 2 50 GLN H 2.860 . 3.920 3.073 2.330 3.576 . 0 0 "[ . 1 . 2]" 2
338 2 52 VAL H 2 53 VAL H 2.980 . 4.160 2.301 2.178 2.392 . 0 0 "[ . 1 . 2]" 2
339 2 54 ASP H 2 55 LYS H 2.870 . 3.940 2.348 2.218 2.501 . 0 0 "[ . 1 . 2]" 2
340 2 55 LYS H 2 56 VAL H 2.880 . 3.960 2.576 2.419 2.783 . 0 0 "[ . 1 . 2]" 2
341 2 56 VAL H 2 57 MET H 2.810 . 3.830 2.791 2.626 2.993 . 0 0 "[ . 1 . 2]" 2
342 2 56 VAL H 2 57 MET QG 3.900 . 6.000 6.091 5.440 6.569 0.569 17 2 "[ . 1 - . + 2]" 2
343 2 56 VAL QG 2 57 MET H 3.540 . 5.280 1.792 1.738 1.862 0.062 13 0 "[ . 1 . 2]" 2
344 2 57 MET QG 2 58 GLU H 3.560 . 5.330 4.242 2.919 4.704 . 0 0 "[ . 1 . 2]" 2
345 2 58 GLU H 2 59 THR H 2.920 . 4.040 2.618 2.274 2.949 . 0 0 "[ . 1 . 2]" 2
346 2 57 MET HA 2 58 GLU H 3.060 . 4.320 3.531 3.485 3.590 . 0 0 "[ . 1 . 2]" 2
347 2 59 THR H 2 60 LEU H 2.890 . 3.980 2.716 2.543 2.877 . 0 0 "[ . 1 . 2]" 2
348 2 59 THR HG1 2 60 LEU H 3.620 . 5.450 2.891 1.737 3.681 0.063 8 0 "[ . 1 . 2]" 2
349 2 61 ASP H 2 62 ASN H 2.770 . 3.730 4.236 3.729 4.475 0.745 1 13 "[+**** * * *** **-]" 2
350 2 61 ASP HB3 2 62 ASN H 3.210 . 4.620 4.155 3.645 4.616 . 0 0 "[ . 1 . 2]" 2
351 2 62 ASN H 2 63 ASP H 3.640 . 5.480 2.379 1.864 2.986 . 0 0 "[ . 1 . 2]" 2
352 2 63 ASP H 2 64 GLY H 2.650 . 3.500 2.108 1.870 2.547 . 0 0 "[ . 1 . 2]" 2
353 2 62 ASN HA 2 63 ASP H 2.460 . 3.120 3.348 3.010 3.574 0.454 19 0 "[ . 1 . 2]" 2
354 2 64 GLY H 2 65 ASP H 2.580 . 3.350 3.125 2.507 3.411 0.061 18 0 "[ . 1 . 2]" 2
355 2 65 ASP H 2 66 GLY H 2.730 . 3.660 1.851 1.799 1.862 0.001 10 0 "[ . 1 . 2]" 2
356 2 66 GLY H 2 67 GLU H 2.680 . 3.560 2.221 1.988 2.801 . 0 0 "[ . 1 . 2]" 2
357 2 67 GLU H 2 68 CYS H 2.700 . 3.600 4.252 3.870 4.581 0.981 17 14 "[ ***. **** * *-*+ **]" 2
358 2 68 CYS H 2 69 ASP H 3.400 . 5.000 4.636 4.548 4.667 . 0 0 "[ . 1 . 2]" 2
359 2 68 CYS HA 2 69 ASP H 2.460 . 3.120 2.309 2.180 2.428 . 0 0 "[ . 1 . 2]" 2
360 2 68 CYS QB 2 69 ASP H 3.360 . 4.920 3.274 2.421 3.622 . 0 0 "[ . 1 . 2]" 2
361 2 69 ASP QB 2 70 PHE H 2.790 . 3.790 2.543 2.341 3.172 . 0 0 "[ . 1 . 2]" 2
362 2 69 ASP H 2 70 PHE H 3.420 . 5.040 4.518 4.463 4.591 . 0 0 "[ . 1 . 2]" 2
363 2 71 GLN H 2 72 GLU H 2.900 . 4.000 2.763 2.609 2.934 . 0 0 "[ . 1 . 2]" 2
364 2 72 GLU H 2 73 PHE H 2.770 . 3.750 2.445 2.325 2.563 . 0 0 "[ . 1 . 2]" 2
365 2 72 GLU HA 2 73 PHE H 3.170 . 4.550 3.464 3.398 3.583 . 0 0 "[ . 1 . 2]" 2
366 2 73 PHE QB 2 74 MET H 2.900 . 4.000 2.348 2.182 2.755 . 0 0 "[ . 1 . 2]" 2
367 2 74 MET H 2 75 ALA H 2.780 . 3.760 2.705 2.523 2.870 . 0 0 "[ . 1 . 2]" 2
368 2 74 MET QB 2 75 ALA H 3.000 . 4.200 2.670 2.214 3.244 . 0 0 "[ . 1 . 2]" 2
369 2 74 MET HA 2 75 ALA H 3.120 . 4.450 3.566 3.483 3.597 . 0 0 "[ . 1 . 2]" 2
370 2 75 ALA H 2 76 PHE H 2.900 . 4.000 2.593 2.457 2.760 . 0 0 "[ . 1 . 2]" 2
371 2 77 VAL H 2 78 ALA H 2.700 . 3.600 2.706 2.599 2.831 . 0 0 "[ . 1 . 2]" 2
372 2 76 PHE HA 2 77 VAL H 2.940 . 4.080 3.581 3.567 3.589 . 0 0 "[ . 1 . 2]" 2
373 2 77 VAL HA 2 78 ALA H 3.210 . 4.620 3.492 3.443 3.575 . 0 0 "[ . 1 . 2]" 2
374 2 78 ALA HA 2 79 MET H 3.340 . 4.880 3.565 3.519 3.587 . 0 0 "[ . 1 . 2]" 2
375 2 79 MET H 2 80 VAL H 2.830 . 3.870 2.893 2.794 3.035 . 0 0 "[ . 1 . 2]" 2
376 2 80 VAL H 2 81 THR H 2.810 . 3.810 2.885 2.823 2.949 . 0 0 "[ . 1 . 2]" 2
377 2 79 MET HA 2 80 VAL H 3.250 . 4.700 3.577 3.563 3.591 . 0 0 "[ . 1 . 2]" 2
378 2 81 THR H 2 82 THR H 2.900 . 4.000 2.848 2.713 2.947 . 0 0 "[ . 1 . 2]" 2
379 2 80 VAL HA 2 81 THR H 3.240 . 4.680 3.481 3.461 3.502 . 0 0 "[ . 1 . 2]" 2
380 2 82 THR H 2 83 ALA H 3.030 . 4.260 2.533 2.465 2.607 . 0 0 "[ . 1 . 2]" 2
381 2 83 ALA H 2 84 CYS H 3.090 . 4.380 3.001 2.939 3.108 . 0 0 "[ . 1 . 2]" 2
382 2 83 ALA HA 2 84 CYS H 3.280 . 4.760 3.551 3.515 3.577 . 0 0 "[ . 1 . 2]" 2
383 2 84 CYS H 2 85 HIS H 2.790 . 3.790 2.474 2.279 2.787 . 0 0 "[ . 1 . 2]" 2
384 2 84 CYS HA 2 85 HIS H 2.960 . 4.130 3.554 3.501 3.586 . 0 0 "[ . 1 . 2]" 2
385 2 86 GLU H 2 87 PHE H 2.980 . 4.170 2.454 2.268 2.941 . 0 0 "[ . 1 . 2]" 2
386 2 86 GLU HB2 2 87 PHE H 3.150 . 4.500 3.518 2.711 4.247 . 0 0 "[ . 1 . 2]" 2
387 2 86 GLU HB3 2 87 PHE H 3.490 . 5.180 3.377 2.648 4.124 . 0 0 "[ . 1 . 2]" 2
388 2 87 PHE H 2 88 PHE H 2.870 . 3.930 2.748 2.408 3.067 . 0 0 "[ . 1 . 2]" 2
389 2 86 GLU HA 2 87 PHE H 3.060 . 4.330 3.492 3.380 3.571 . 0 0 "[ . 1 . 2]" 2
390 2 88 PHE QD 2 89 GLU H 3.330 . 4.870 3.804 1.883 4.790 . 0 0 "[ . 1 . 2]" 2
391 2 89 GLU HB2 2 90 HIS H 3.140 . 4.480 3.743 1.904 4.687 0.207 1 0 "[ . 1 . 2]" 2
392 2 89 GLU HB3 2 90 HIS H 3.180 . 4.560 3.308 1.868 4.339 . 0 0 "[ . 1 . 2]" 2
393 2 90 HIS QB 2 91 GLU H 3.860 . 5.920 3.297 2.233 4.005 . 0 0 "[ . 1 . 2]" 2
394 2 32 LEU H 2 33 LYS QD 3.900 . 6.000 6.757 6.255 7.262 1.262 19 15 "[ ******** - ****+*]" 2
395 2 42 HIS QB 2 43 PHE H 3.900 . 6.000 2.664 1.830 4.004 . 0 0 "[ . 1 . 2]" 2
396 2 67 GLU H 2 68 CYS HG 3.900 . 6.000 7.672 4.920 8.843 2.843 17 16 "[*** * **** - ***+***]" 2
397 2 68 CYS H 2 69 ASP HA 3.900 . 6.000 5.396 5.177 5.454 . 0 0 "[ . 1 . 2]" 2
398 2 70 PHE H 2 71 GLN H 3.900 . 6.000 2.905 2.792 3.218 . 0 0 "[ . 1 . 2]" 2
399 2 73 PHE H 2 74 MET H 3.900 . 6.000 2.776 2.506 2.900 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 66
_Distance_constraint_stats_list.Viol_count 1265
_Distance_constraint_stats_list.Viol_total 127738.719
_Distance_constraint_stats_list.Viol_max 11.311
_Distance_constraint_stats_list.Viol_rms 2.6585
_Distance_constraint_stats_list.Viol_average_all_restraints 4.8386
_Distance_constraint_stats_list.Viol_average_violations_only 5.0490
_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 1.124 0.644 16 1 "[ . 1 .+ 2]"
1 7 MET 134.266 6.355 8 20 [*******+***********-]
1 10 LEU 30.816 2.137 2 19 "[*+******** ********-]"
1 11 ILE 105.851 6.695 14 20 [**********-**+******]
1 15 HIS 297.655 9.472 20 20 [******-************+]
1 18 SER 270.144 5.764 12 20 [***********+***-****]
1 19 GLY 75.287 5.682 13 19 "[************+ *-****]"
1 21 GLU 92.642 7.263 10 20 [-********+**********]
1 22 GLY 160.977 11.311 10 20 [*********+*-********]
1 27 LEU 158.268 4.993 20 20 [*************-*****+]
1 28 LYS 905.626 6.973 2 20 [*+*************-****]
1 29 LYS 109.025 6.070 7 20 [*-****+*************]
1 32 LEU 253.619 11.311 10 20 [-********+**********]
1 33 LYS 166.359 8.754 7 20 [******+*****-*******]
1 34 GLU 155.994 9.412 14 20 [******-******+******]
1 36 ILE 510.761 8.151 15 20 [****-*********+*****]
1 48 LYS 300.029 9.412 14 20 [*****-*******+******]
1 53 VAL 24.543 2.066 17 20 [******-*********+***]
1 54 ASP 317.380 10.442 15 20 [*****-********+*****]
1 57 MET 496.305 11.262 16 20 [**************-+****]
1 69 ASP 863.401 8.754 7 20 [******+******-******]
1 70 PHE 89.798 4.993 20 20 [*********-*********+]
1 71 GLN 179.332 9.472 20 20 [************-******+]
1 80 VAL 24.543 2.066 17 20 [******-*********+***]
1 81 THR 669.650 11.262 16 20 [**************-+****]
1 83 ALA 11.565 2.827 5 6 "[ - +* 1 * .* *]"
2 3 LEU 1.736 0.393 4 0 "[ . 1 . 2]"
2 7 MET 134.931 6.695 14 20 [*************+*****-]
2 10 LEU 30.320 2.147 1 20 [+**************-****]
2 11 ILE 105.070 6.355 8 20 [*****-*+************]
2 15 HIS 305.555 9.205 16 20 [*************-*+****]
2 18 SER 275.601 6.459 3 20 [**+-****************]
2 19 GLY 66.132 6.228 17 19 "[* ***-**********+***]"
2 21 GLU 95.590 7.045 7 20 [*-****+*************]
2 22 GLY 156.680 10.379 7 20 [******+***********-*]
2 27 LEU 153.031 4.869 19 20 [************-*****+*]
2 28 LYS 896.951 6.897 16 20 [*****-*********+****]
2 29 LYS 111.990 6.450 2 20 [*+****-*************]
2 32 LEU 252.271 10.379 7 20 [*-****+*************]
2 33 LYS 165.531 8.977 15 20 [**************+****-]
2 34 GLU 156.044 9.586 15 20 [************-*+*****]
2 36 ILE 520.337 8.402 17 20 [***-************+***]
2 48 LYS 286.031 9.586 15 20 [**************+*****]
2 53 VAL 23.718 1.710 1 19 [+***********-******2]
2 54 ASP 300.661 9.696 1 20 [+*************-*****]
2 57 MET 494.724 11.113 12 20 [**********-+********]
2 69 ASP 863.061 8.977 15 20 [************-*+*****]
2 70 PHE 86.077 4.869 19 20 [************-*****+*]
2 71 GLN 180.398 9.205 16 20 [**-************+****]
2 80 VAL 23.718 1.710 1 19 [+***********-******2]
2 81 THR 665.399 11.113 12 20 [**********-+********]
2 83 ALA 17.348 2.810 10 9 "[ * * + -*** * *]"
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 27 LEU HA 1 70 PHE HA 3.350 . 5.000 9.490 9.160 9.993 4.993 20 20 [*********-*********+] 3
2 1 28 LYS QB 1 69 ASP QB 3.040 . 4.380 9.987 9.311 10.591 6.211 18 20 [*********-*******+**] 3
3 1 28 LYS QD 1 69 ASP QB 3.850 . 6.000 11.494 10.319 12.306 6.306 4 20 [***+-***************] 3
4 1 15 HIS HA 1 36 ILE MD 3.850 . 6.000 12.784 11.055 14.151 8.151 15 20 [******-*******+*****] 3
5 1 34 GLU HA 1 48 LYS QD 3.620 . 5.540 13.340 11.231 14.952 9.412 14 20 [******-******+******] 3
6 1 48 LYS QD 1 54 ASP HA 3.630 . 5.560 11.299 9.039 12.753 7.193 10 20 [*********+*-********] 3
7 1 48 LYS QG 1 54 ASP H 3.850 . 6.000 7.463 6.206 8.570 2.570 1 18 "[+****-***** * ******]" 3
8 1 28 LYS QD 1 36 ILE MD 3.850 . 6.000 10.495 9.166 11.608 5.608 14 20 [*************+****-*] 3
9 1 18 SER QB 1 36 ILE MD 3.850 . 6.000 10.026 8.436 11.667 5.667 15 20 [****-*********+*****] 3
10 1 53 VAL QG 1 80 VAL HB 2.910 . 4.120 5.347 4.738 6.186 2.066 17 20 [******-*********+***] 3
11 1 57 MET QG 1 81 THR HG1 3.500 . 5.290 14.908 12.869 16.552 11.262 16 20 [************-**+****] 3
12 1 57 MET QG 1 81 THR MG 3.850 . 6.000 13.573 11.398 14.871 8.871 18 20 [**************-**+**] 3
13 1 18 SER QB 1 28 LYS QD 3.850 . 6.000 7.793 6.415 9.272 3.272 19 19 "[***************- *+*]" 3
14 1 15 HIS H 1 71 GLN QE 3.380 . 4.960 13.059 10.241 14.432 9.472 20 20 [*******-***********+] 3
15 1 18 SER H 1 28 LYS QD 3.900 . 6.000 9.353 7.999 10.803 4.803 13 20 [************+*-*****] 3
16 1 18 SER H 1 36 ILE MD 3.900 . 6.000 10.335 9.090 11.764 5.764 12 20 [****-******+********] 3
17 1 19 GLY H 1 28 LYS QD 3.590 . 5.380 9.144 5.411 11.062 5.682 13 19 "[************+ *-****]" 3
18 1 21 GLU H 1 32 LEU HG 3.480 . 5.160 9.792 8.859 12.423 7.263 10 20 [-********+**********] 3
19 1 22 GLY H 1 32 LEU HG 3.180 . 4.560 12.609 10.900 15.871 11.311 10 20 [*********+*-********] 3
20 1 28 LYS H 1 69 ASP QB 3.900 . 6.000 10.163 9.658 10.455 4.455 4 20 [***+*****-**********] 3
21 1 54 ASP H 1 81 THR HG1 3.630 . 5.460 14.127 12.811 15.902 10.442 15 20 [**************+*-***] 3
22 1 57 MET H 1 81 THR HG1 3.900 . 6.000 13.625 11.872 15.229 9.229 8 20 [*******+***-********] 3
23 1 28 LYS QB 1 69 ASP H 2.860 . 3.920 9.464 9.007 9.835 5.915 18 20 [*************-***+**] 3
24 1 29 LYS HA 1 69 ASP H 2.990 . 4.180 9.631 8.811 10.250 6.070 7 20 [*-****+*************] 3
25 1 27 LEU QB 1 69 ASP H 3.040 . 4.290 5.769 5.476 6.022 1.732 16 20 [*************-*+****] 3
26 1 28 LYS QD 1 36 ILE H 3.900 . 6.000 11.898 10.867 12.973 6.973 2 20 [*+************-*****] 3
27 1 28 LYS QD 1 69 ASP H 3.900 . 6.000 11.169 9.703 11.824 5.824 4 20 [***+-***************] 3
28 1 33 LYS QD 1 69 ASP H 3.900 . 6.000 14.318 13.494 14.754 8.754 7 20 [******+*****-*******] 3
29 1 27 LEU HA 1 69 ASP H 3.900 . 6.000 7.945 7.644 8.253 2.253 7 20 [******+**********-**] 3
30 2 27 LEU HA 2 70 PHE HA 3.350 . 5.000 9.304 8.285 9.869 4.869 19 20 [************-*****+*] 3
31 2 28 LYS QB 2 69 ASP QB 3.040 . 4.380 10.005 9.255 10.624 6.244 3 20 [**+******-**********] 3
32 2 28 LYS QD 2 69 ASP QB 3.850 . 6.000 11.480 10.790 12.074 6.074 20 20 [*************-*****+] 3
33 2 15 HIS HA 2 36 ILE MD 3.850 . 6.000 12.836 11.447 14.402 8.402 17 20 [*************-**+***] 3
34 2 34 GLU HA 2 48 LYS QD 3.620 . 5.540 13.342 9.713 15.126 9.586 15 20 [************-*+*****] 3
35 2 48 LYS QD 2 54 ASP HA 3.630 . 5.560 10.852 7.768 13.462 7.902 2 20 [*+***************-**] 3
36 2 48 LYS QG 2 54 ASP H 3.850 . 6.000 7.196 5.771 9.174 3.174 2 18 "[*+**** *******-** **]" 3
37 2 28 LYS QD 2 36 ILE MD 3.850 . 6.000 10.456 8.936 11.092 5.092 3 20 [**+-****************] 3
38 2 18 SER QB 2 36 ILE MD 3.850 . 6.000 10.213 9.130 12.312 6.312 17 20 [*************-**+***] 3
39 2 53 VAL QG 2 80 VAL HB 2.910 . 4.120 5.306 4.496 5.830 1.710 1 19 [+***********-******2] 3
40 2 57 MET QG 2 81 THR HG1 3.500 . 5.290 14.775 11.971 16.403 11.113 12 20 [***-*******+********] 3
41 2 57 MET QG 2 81 THR MG 3.850 . 6.000 13.732 12.343 14.735 8.735 18 20 [***-*************+**] 3
42 2 18 SER QB 2 28 LYS QD 3.850 . 6.000 7.785 6.246 10.330 4.330 17 19 "[***-*** ********+***]" 3
43 2 15 HIS H 2 71 GLN QE 3.380 . 4.960 13.402 11.791 14.165 9.205 16 20 [*********-*****+****] 3
44 2 18 SER H 2 28 LYS QD 3.900 . 6.000 9.320 7.436 11.621 5.621 17 20 [*-**************+***] 3
45 2 18 SER H 2 36 ILE MD 3.900 . 6.000 10.461 9.080 12.459 6.459 3 20 [*-+*****************] 3
46 2 19 GLY H 2 28 LYS QD 3.590 . 5.380 8.659 4.834 11.608 6.228 17 19 "[* ***-**********+***]" 3
47 2 21 GLU H 2 32 LEU HG 3.480 . 5.160 9.940 8.935 12.205 7.045 7 20 [*-****+*************] 3
48 2 22 GLY H 2 32 LEU HG 3.180 . 4.560 12.394 10.409 14.939 10.379 7 20 [******+***********-*] 3
49 2 28 LYS H 2 69 ASP QB 3.900 . 6.000 10.104 9.636 10.495 4.495 16 20 [******-********+****] 3
50 2 54 ASP H 2 81 THR HG1 3.630 . 5.460 13.994 12.699 15.156 9.696 1 20 [+***********-*******] 3
51 2 57 MET H 2 81 THR HG1 3.900 . 6.000 13.519 11.563 14.815 8.815 1 20 [+*********-*********] 3
52 2 28 LYS QB 2 69 ASP H 2.860 . 3.920 9.454 9.009 9.955 6.035 3 20 [**+*****-***********] 3
53 2 29 LYS HA 2 69 ASP H 2.990 . 4.180 9.780 8.939 10.630 6.450 2 20 [*+****-*************] 3
54 2 27 LEU QB 2 69 ASP H 3.040 . 4.290 5.752 5.498 6.001 1.711 1 20 [+***********-*******] 3
55 2 28 LYS QD 2 36 ILE H 3.900 . 6.000 12.050 10.648 12.897 6.897 16 20 [***-***********+****] 3
56 2 28 LYS QD 2 69 ASP H 3.900 . 6.000 11.187 10.601 11.668 5.668 20 20 [*-*****************+] 3
57 2 33 LYS QD 2 69 ASP H 3.900 . 6.000 14.277 13.401 14.977 8.977 15 20 [**************+****-] 3
58 2 27 LEU HA 2 69 ASP H 3.900 . 6.000 7.885 7.649 8.132 2.132 1 20 [+***********-*******] 3
59 1 7 MET QB 2 10 LEU QB 3.850 . 6.000 7.460 6.906 8.147 2.147 1 20 [+******************-] 3
60 1 7 MET QB 2 11 ILE MD 3.850 . 6.000 11.254 10.495 12.355 6.355 8 20 [*****-*+************] 3
61 1 3 LEU HG 2 10 LEU QB 3.850 . 6.000 5.198 3.945 6.644 0.644 16 1 "[ . 1 .+ 2]" 3
62 1 83 ALA HA 2 71 GLN QE 3.850 . 6.000 5.747 3.169 8.827 2.827 5 6 "[ - +* 1 * .* *]" 3
63 1 10 LEU QB 2 7 MET QB 3.850 . 6.000 7.454 6.091 8.137 2.137 2 19 "[*+******** ********-]" 3
64 1 11 ILE MD 2 7 MET QB 3.850 . 6.000 11.293 8.649 12.695 6.695 14 20 [**********-**+******] 3
65 1 10 LEU QB 2 3 LEU HG 3.850 . 6.000 5.421 4.070 6.393 0.393 4 0 "[ . 1 . 2]" 3
66 1 71 GLN QE 2 83 ALA HA 3.850 . 6.000 6.160 4.043 8.810 2.810 10 9 "[ * * + -*** * *]" 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 348
_Distance_constraint_stats_list.Viol_count 1492
_Distance_constraint_stats_list.Viol_total 39750.879
_Distance_constraint_stats_list.Viol_max 5.644
_Distance_constraint_stats_list.Viol_rms 0.7754
_Distance_constraint_stats_list.Viol_average_all_restraints 0.2856
_Distance_constraint_stats_list.Viol_average_violations_only 1.3321
_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 5.801 0.513 10 2 "[ . + . - 2]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLU 0.049 0.049 3 0 "[ . 1 . 2]"
1 5 LYS 5.752 0.513 10 2 "[ . + . - 2]"
1 6 ALA 0.182 0.182 19 0 "[ . 1 . 2]"
1 7 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.182 0.182 19 0 "[ . 1 . 2]"
1 10 LEU 0.238 0.072 20 0 "[ . 1 . 2]"
1 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 PHE 2.022 1.785 20 1 "[ . 1 . +]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 GLN 6.016 3.383 14 2 "[ . 1 +. *]"
1 17 TYR 1.785 1.785 20 1 "[ . 1 . +]"
1 18 SER 0.752 0.752 14 1 "[ . 1 +. 2]"
1 19 GLY 5.264 3.383 14 2 "[ . 1 +. -]"
1 20 ARG 90.627 4.711 6 20 [*****+************-*]
1 22 GLY 16.681 1.653 20 13 "[ **.*** **** * *-+]"
1 25 HIS 121.624 4.711 6 20 [***-*+**************]
1 27 LEU 47.678 2.582 17 20 [***-************+***]
1 28 LYS 259.286 5.496 1 20 [+*********-*********]
1 29 LYS 65.395 2.638 15 20 [*-************+*****]
1 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 GLU 14.812 0.988 9 17 "[ *****+*******-***]"
1 32 LEU 71.087 2.638 15 20 [*-************+*****]
1 33 LYS 268.433 5.496 1 20 [+***************-***]
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 ILE 0.149 0.090 6 0 "[ . 1 . 2]"
1 37 ASN 8.062 1.612 2 7 "[ +* . -* * . ** 2]"
1 38 ASN 11.565 3.164 13 6 "[ . -* 1 *+*. *2]"
1 39 GLU 17.172 2.242 8 11 "[ * .**+ 1 ***.- ***]"
1 40 LEU 4.401 0.901 8 4 "[ . + 1 -**. 2]"
1 41 SER 36.900 4.232 12 13 "[ ** .-** **+**. ***2]"
1 42 HIS 28.188 3.601 12 10 "[ * . ** * +**.- **]"
1 43 PHE 0.908 0.764 10 1 "[ . + . 2]"
1 45 GLU 24.887 4.232 12 7 "[ * . * - +**. *2]"
1 48 LYS 11.039 2.008 20 11 "[ * ** *1****.* *+]"
1 50 GLN 11.039 2.008 20 11 "[ * ** *1****.* *+]"
1 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 7.818 0.915 10 7 "[* - . + .****2]"
1 54 ASP 0.042 0.032 15 0 "[ . 1 . 2]"
1 55 LYS 0.424 0.369 15 0 "[ . 1 . 2]"
1 56 VAL 7.407 0.915 10 7 "[* - . + .****2]"
1 57 MET 0.961 0.504 9 1 "[ . +1 . 2]"
1 58 GLU 4.717 0.621 17 4 "[* *-. 1 . + 2]"
1 59 THR 50.523 3.899 16 20 [***-***********+****]
1 60 LEU 4.293 0.621 17 4 "[* *-. 1 . + 2]"
1 61 ASP 0.504 0.504 9 1 "[ . +1 . 2]"
1 62 ASN 143.541 3.899 16 20 [***************+**-*]
1 63 ASP 0.224 0.208 3 0 "[ . 1 . 2]"
1 64 GLY 11.570 1.091 8 11 "[ * ** + *** .** -*]"
1 65 ASP 89.703 2.483 17 20 [*********-******+***]
1 66 GLY 30.673 2.465 19 20 [***************-**+*]
1 67 GLU 23.436 3.231 14 11 "[***** - 1 *+* **2]"
1 68 CYS 62.136 2.465 19 20 [*********-********+*]
1 69 ASP 32.885 1.780 20 20 [********-**********+]
1 70 PHE 36.640 1.643 18 20 [*******-*********+**]
1 71 GLN 11.365 1.028 16 7 "[*** . - 1 * .+ *]"
1 72 GLU 0.111 0.058 1 0 "[ . 1 . 2]"
1 73 PHE 27.032 1.643 18 20 [********-********+**]
1 74 MET 53.757 1.780 20 20 [*******-***********+]
1 75 ALA 6.479 0.540 14 1 "[ . 1 +. 2]"
1 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 VAL 6.489 0.540 14 1 "[ . 1 +. 2]"
1 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 MET 13.413 1.012 16 14 "[* * * * **** **+* -*]"
1 80 VAL 19.117 1.022 4 20 [***+****-***********]
1 81 THR 24.208 2.130 9 14 "[******* +*-** . * *]"
1 82 THR 13.413 1.012 16 14 "[* * * * **** **+* -*]"
1 83 ALA 19.247 1.022 4 20 [***+****-***********]
1 84 CYS 5.060 0.836 5 5 "[ + * - * . *]"
1 85 HIS 19.147 2.130 9 14 "[******* +*-** . * *]"
1 86 GLU 0.460 0.198 20 0 "[ . 1 . 2]"
1 87 PHE 43.183 3.439 9 17 "[*** -***+* ***** ***]"
1 88 PHE 0.330 0.198 20 0 "[ . 1 . 2]"
1 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 HIS 43.183 3.439 9 17 "[*** -***+* ***** ***]"
2 2 GLU 6.150 0.516 7 2 "[ . + 1 . - 2]"
2 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 LYS 6.150 0.516 7 2 "[ . + 1 . - 2]"
2 6 ALA 0.027 0.019 13 0 "[ . 1 . 2]"
2 7 MET 0.035 0.035 15 0 "[ . 1 . 2]"
2 9 ALA 0.027 0.019 13 0 "[ . 1 . 2]"
2 10 LEU 2.358 1.065 15 2 "[ . 1 - + 2]"
2 11 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 VAL 2.088 1.065 15 2 "[ . 1 - + 2]"
2 14 PHE 1.509 1.274 3 1 "[ + . 1 . 2]"
2 15 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 GLN 12.614 3.472 2 5 "[ +* .* 1 *. *]"
2 17 TYR 1.274 1.274 3 1 "[ + . 1 . 2]"
2 18 SER 2.618 0.748 6 4 "[ * .+ * 1 . -]"
2 19 GLY 11.244 3.472 2 5 "[ +* .* 1 *. -]"
2 20 ARG 96.262 5.488 20 20 [*******************+]
2 22 GLY 19.472 1.844 10 13 "[ *. ***+***-** **2]"
2 25 HIS 122.204 5.488 20 20 [*********-*********+]
2 27 LEU 46.662 2.539 6 20 [*****+***-**********]
2 28 LYS 259.037 5.644 14 20 [*************+****-*]
2 29 LYS 74.942 2.997 5 20 [****+****-**********]
2 30 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 31 GLU 14.381 1.013 14 18 "[************ +* *-**]"
2 32 LEU 77.166 2.997 5 20 [****+*************-*]
2 33 LYS 270.419 5.644 14 20 [*************+***-**]
2 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 35 LEU 0.650 0.650 19 1 "[ . 1 . +2]"
2 36 ILE 0.002 0.002 6 0 "[ . 1 . 2]"
2 37 ASN 8.065 1.909 14 7 "[ * 1 -+.* ***]"
2 38 ASN 9.289 2.926 10 7 "[ **- * +* . *2]"
2 39 GLU 19.680 2.361 4 13 "[* -+.******* ** * 2]"
2 40 LEU 2.239 0.977 4 1 "[ +. 1 . 2]"
2 41 SER 29.655 4.434 11 14 "[ * **- * *+ **** ***]"
2 42 HIS 28.433 2.361 4 17 "[**-+******** ***** 2]"
2 43 PHE 2.700 1.365 11 2 "[ . 1+ .- 2]"
2 45 GLU 22.165 4.434 11 10 "[ - ** * *+* *** 2]"
2 48 LYS 16.816 2.077 17 15 "[ ********-** **+ *2]"
2 50 GLN 16.816 2.077 17 15 "[ ********-** **+ *2]"
2 51 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 52 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 53 VAL 6.763 0.558 12 6 "[ - . **1 + .** 2]"
2 54 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 55 LYS 0.244 0.166 4 0 "[ . 1 . 2]"
2 56 VAL 6.582 0.558 12 6 "[ - . **1 + .** 2]"
2 57 MET 0.181 0.181 17 0 "[ . 1 . 2]"
2 58 GLU 6.300 0.638 3 8 "[* + . *1 * *.**- 2]"
2 59 THR 43.753 3.337 19 20 [********-*********+*]
2 60 LEU 6.056 0.638 3 8 "[* + . *1 * *.**- 2]"
2 61 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
2 62 ASN 140.023 3.939 16 20 [*************-*+****]
2 63 ASP 0.574 0.304 6 0 "[ . 1 . 2]"
2 64 GLY 7.644 1.050 5 8 "[* +* - .** **]"
2 65 ASP 94.169 2.285 6 20 [*****+*******-******]
2 66 GLY 29.715 2.124 10 20 [*********+*******-**]
2 67 GLU 29.581 3.939 16 15 "[ ***.****1** -*+** *]"
2 68 CYS 64.265 2.261 7 20 [******+**********-**]
2 69 ASP 32.098 1.828 16 20 [************-**+****]
2 70 PHE 35.729 1.621 16 20 [*******-*******+****]
2 71 GLN 10.785 0.887 2 9 "[*+* . *1 -* ** *]"
2 72 GLU 0.183 0.161 9 0 "[ . 1 . 2]"
2 73 PHE 26.472 1.621 16 20 [**************-+****]
2 74 MET 52.323 1.828 16 20 [*******-*******+****]
2 75 ALA 5.801 0.510 7 1 "[ . + 1 . 2]"
2 76 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 77 VAL 6.483 0.510 7 1 "[ . + 1 . 2]"
2 78 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 79 MET 17.478 1.007 1 17 "[+*****- *** ****** *]"
2 80 VAL 19.083 1.004 8 20 [******-+************]
2 81 THR 28.599 2.001 19 18 "[************-** * +*]"
2 82 THR 17.163 1.007 1 17 "[+*****- *** ****** *]"
2 83 ALA 21.090 1.004 8 20 [**-****+************]
2 84 CYS 9.014 1.060 1 10 "[+ * .* *1 - ** * **]"
2 85 HIS 19.772 2.001 19 16 "[ ********** -** * +*]"
2 86 GLU 2.298 0.768 13 3 "[ - . *1 + . 2]"
2 87 PHE 49.887 3.817 2 20 [*+***********-******]
2 88 PHE 0.478 0.236 1 0 "[ . 1 . 2]"
2 89 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 90 HIS 49.887 3.817 2 20 [*+***********-******]
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 7 MET HA 1 10 LEU QB 2.910 . 4.120 2.944 2.472 3.529 . 0 0 "[ . 1 . 2]" 4
2 1 7 MET HA 1 10 LEU H 3.070 . 4.390 3.883 3.490 4.232 . 0 0 "[ . 1 . 2]" 4
3 1 76 PHE HA 1 79 MET QB 2.910 . 4.120 3.535 2.840 3.952 . 0 0 "[ . 1 . 2]" 4
4 1 76 PHE HA 1 79 MET H 2.920 . 4.090 3.607 3.448 3.903 . 0 0 "[ . 1 . 2]" 4
5 1 79 MET HA 1 82 THR HB 2.760 . 3.820 4.402 3.351 4.832 1.012 16 14 "[* * * * **** **+* -*]" 4
6 1 79 MET HA 1 82 THR H 2.890 . 4.030 3.592 3.363 3.671 . 0 0 "[ . 1 . 2]" 4
7 1 84 CYS HA 1 87 PHE QB 3.210 . 4.710 2.979 1.885 4.041 . 0 0 "[ . 1 . 2]" 4
8 1 81 THR HA 1 84 CYS QB 3.140 . 4.580 3.824 3.604 4.135 . 0 0 "[ . 1 . 2]" 4
9 1 81 THR HG1 1 84 CYS QB 3.850 . 6.000 6.100 5.439 6.836 0.836 5 5 "[ + * - * . *]" 4
10 1 81 THR MG 1 84 CYS QB 3.850 . 6.000 4.942 4.622 5.401 . 0 0 "[ . 1 . 2]" 4
11 1 10 LEU HA 1 13 VAL HB 2.640 . 3.580 2.598 2.209 3.154 . 0 0 "[ . 1 . 2]" 4
12 1 10 LEU HA 1 13 VAL H 2.940 . 4.130 3.463 3.151 3.755 . 0 0 "[ . 1 . 2]" 4
13 1 10 LEU HA 1 14 PHE H 3.170 . 4.590 4.488 4.143 4.662 0.072 20 0 "[ . 1 . 2]" 4
14 1 85 HIS HA 1 88 PHE QB 3.250 . 4.790 3.477 2.487 4.758 . 0 0 "[ . 1 . 2]" 4
15 1 82 THR HA 1 85 HIS QB 3.220 . 4.740 2.362 1.909 3.020 . 0 0 "[ . 1 . 2]" 4
16 1 81 THR HG1 1 85 HIS QB 3.850 . 6.000 6.817 4.740 8.130 2.130 9 14 "[******* +*-** . * *]" 4
17 1 13 VAL HA 1 16 GLN QB 3.100 . 4.500 2.227 1.761 2.821 . 0 0 "[ . 1 . 2]" 4
18 1 13 VAL HA 1 16 GLN H 2.920 . 4.090 3.420 3.120 3.714 . 0 0 "[ . 1 . 2]" 4
19 1 55 LYS HA 1 58 GLU QB 3.000 . 4.290 3.350 2.840 3.807 . 0 0 "[ . 1 . 2]" 4
20 1 55 LYS HA 1 58 GLU H 2.810 . 3.870 3.765 3.570 4.239 0.369 15 0 "[ . 1 . 2]" 4
21 1 3 LEU HA 1 6 ALA MB 3.120 . 4.540 2.209 1.855 2.718 . 0 0 "[ . 1 . 2]" 4
22 1 3 LEU HA 1 6 ALA H 3.340 . 4.930 3.490 3.176 3.723 . 0 0 "[ . 1 . 2]" 4
23 1 32 LEU HA 1 35 LEU H 3.500 . 5.250 3.483 3.202 3.721 . 0 0 "[ . 1 . 2]" 4
24 1 35 LEU HA 1 38 ASN QB 3.060 . 4.420 2.833 2.097 3.991 . 0 0 "[ . 1 . 2]" 4
25 1 35 LEU HA 1 38 ASN H 3.320 . 4.890 3.710 2.986 4.574 . 0 0 "[ . 1 . 2]" 4
26 1 32 LEU HA 1 35 LEU QB 3.500 . 5.290 2.904 2.331 3.302 . 0 0 "[ . 1 . 2]" 4
27 1 52 VAL HA 1 55 LYS QB 3.060 . 4.420 2.644 2.115 3.101 . 0 0 "[ . 1 . 2]" 4
28 1 52 VAL HA 1 55 LYS H 3.000 . 4.250 3.305 3.185 3.582 . 0 0 "[ . 1 . 2]" 4
29 1 56 VAL HA 1 59 THR HB 3.010 . 4.320 2.963 2.114 3.818 . 0 0 "[ . 1 . 2]" 4
30 1 73 PHE HA 1 76 PHE QB 3.420 . 5.130 2.510 2.153 3.200 . 0 0 "[ . 1 . 2]" 4
31 1 73 PHE HA 1 76 PHE H 3.000 . 4.290 3.532 3.313 3.802 . 0 0 "[ . 1 . 2]" 4
32 1 15 HIS HA 1 18 SER H 3.360 . 4.970 3.770 3.409 4.061 . 0 0 "[ . 1 . 2]" 4
33 1 71 GLN HA 1 74 MET H 2.770 . 3.850 3.960 3.782 4.269 0.419 2 0 "[ . 1 . 2]" 4
34 1 74 MET HA 1 77 VAL H 2.900 . 4.050 3.784 3.489 4.060 0.010 9 0 "[ . 1 . 2]" 4
35 1 71 GLN HA 1 74 MET QB 2.520 . 3.350 3.793 3.278 4.378 1.028 16 7 "[*** . - 1 * .+ *]" 4
36 1 77 VAL HA 1 80 VAL HB 3.260 . 4.820 3.759 3.108 4.151 . 0 0 "[ . 1 . 2]" 4
37 1 12 ASP HA 1 15 HIS HB3 3.850 . 6.000 4.365 3.159 5.369 . 0 0 "[ . 1 . 2]" 4
38 1 48 LYS HA 1 50 GLN H 3.160 . 4.620 4.965 3.626 6.628 2.008 20 11 "[ * ** *1*-**.* *+]" 4
39 1 48 LYS QG 1 50 GLN H 3.340 . 4.980 4.103 2.226 5.482 0.502 20 1 "[ . 1 . +]" 4
40 1 30 SER HA 1 33 LYS H 3.430 . 5.110 3.631 3.253 4.086 . 0 0 "[ . 1 . 2]" 4
41 1 6 ALA HA 1 9 ALA H 2.750 . 3.750 3.579 3.412 3.932 0.182 19 0 "[ . 1 . 2]" 4
42 1 56 VAL HA 1 59 THR H 3.290 . 4.830 3.090 2.717 3.428 . 0 0 "[ . 1 . 2]" 4
43 1 53 VAL HA 1 56 VAL HB 2.880 . 4.050 4.392 3.790 4.965 0.915 10 7 "[* - . + .****2]" 4
44 1 11 ILE HA 1 14 PHE H 3.270 . 4.790 3.213 2.995 3.496 . 0 0 "[ . 1 . 2]" 4
45 1 28 LYS QD 1 33 LYS HA 3.850 . 6.000 10.740 9.819 11.496 5.496 1 20 [+***-***************] 4
46 1 4 GLU HA 1 7 MET QB 3.560 . 5.420 2.839 2.467 4.045 . 0 0 "[ . 1 . 2]" 4
47 1 4 GLU HA 1 7 MET H 3.110 . 4.470 3.618 3.366 4.183 . 0 0 "[ . 1 . 2]" 4
48 1 33 LYS HA 1 36 ILE H 3.020 . 4.290 3.653 3.223 3.949 . 0 0 "[ . 1 . 2]" 4
49 1 33 LYS HA 1 36 ILE HB 2.900 . 4.100 2.917 2.244 4.159 0.059 20 0 "[ . 1 . 2]" 4
50 1 58 GLU HA 1 61 ASP H 3.040 . 4.330 4.052 3.193 4.329 . 0 0 "[ . 1 . 2]" 4
51 1 75 ALA HA 1 78 ALA H 3.350 . 4.950 3.498 3.295 3.891 . 0 0 "[ . 1 . 2]" 4
52 1 80 VAL HA 1 83 ALA H 2.670 . 3.650 4.606 4.343 4.672 1.022 4 20 [***+****-***********] 4
53 1 38 ASN HA 1 41 SER QB 3.270 . 4.830 4.938 3.589 7.994 3.164 13 6 "[ . -* 1 *+*. *2]" 4
54 1 51 GLU HA 1 54 ASP H 3.540 . 5.370 4.231 4.104 4.281 . 0 0 "[ . 1 . 2]" 4
55 1 72 GLU HA 1 75 ALA H 3.230 . 4.710 3.435 3.077 3.828 . 0 0 "[ . 1 . 2]" 4
56 1 83 ALA HA 1 86 GLU QB 2.920 . 4.130 3.121 1.862 4.260 0.130 8 0 "[ . 1 . 2]" 4
57 1 14 PHE HA 1 17 TYR QB 3.190 . 4.680 3.631 3.159 6.465 1.785 20 1 "[ . 1 . +]" 4
58 1 14 PHE HA 1 17 TYR H 3.280 . 4.860 4.302 3.985 4.520 . 0 0 "[ . 1 . 2]" 4
59 1 53 VAL HA 1 56 VAL H 3.060 . 4.370 3.867 3.696 3.963 . 0 0 "[ . 1 . 2]" 4
60 1 53 VAL HA 1 57 MET H 3.240 . 4.730 3.887 3.296 5.029 0.299 16 0 "[ . 1 . 2]" 4
61 1 48 LYS QG 1 53 VAL QG 3.850 . 6.000 5.529 4.742 5.948 . 0 0 "[ . 1 . 2]" 4
62 1 54 ASP HA 1 56 VAL H 3.530 . 5.310 4.684 4.113 4.996 . 0 0 "[ . 1 . 2]" 4
63 1 54 ASP HA 1 57 MET H 2.830 . 3.900 3.853 3.705 3.932 0.032 15 0 "[ . 1 . 2]" 4
64 1 57 MET HA 1 60 LEU H 3.100 . 4.450 3.845 3.077 4.437 . 0 0 "[ . 1 . 2]" 4
65 1 78 ALA HA 1 81 THR HB 3.170 . 4.630 2.969 2.448 3.880 . 0 0 "[ . 1 . 2]" 4
66 1 78 ALA HA 1 81 THR MG 3.760 . 5.820 3.590 2.005 4.144 . 0 0 "[ . 1 . 2]" 4
67 1 78 ALA HA 1 81 THR H 3.090 . 4.430 3.973 3.433 4.060 . 0 0 "[ . 1 . 2]" 4
68 1 9 ALA HA 1 13 VAL H 3.210 . 4.710 4.482 4.252 4.605 . 0 0 "[ . 1 . 2]" 4
69 1 9 ALA HA 1 12 ASP H 3.110 . 4.470 3.499 3.215 3.935 . 0 0 "[ . 1 . 2]" 4
70 1 81 THR HA 1 84 CYS H 3.120 . 4.490 4.368 4.293 4.400 . 0 0 "[ . 1 . 2]" 4
71 1 2 GLU QB 1 4 GLU H 3.350 . 4.900 4.278 3.854 4.949 0.049 3 0 "[ . 1 . 2]" 4
72 1 2 GLU QB 1 5 LYS H 3.460 . 5.120 5.397 4.917 5.633 0.513 10 2 "[ . + . - 2]" 4
73 1 6 ALA HA 1 10 LEU H 3.500 . 5.200 3.557 3.240 3.967 . 0 0 "[ . 1 . 2]" 4
74 1 15 HIS H 1 17 TYR H 3.710 . 5.620 4.553 4.041 5.229 . 0 0 "[ . 1 . 2]" 4
75 1 12 ASP HA 1 15 HIS H 3.240 . 4.680 3.772 3.500 3.992 . 0 0 "[ . 1 . 2]" 4
76 1 16 GLN H 1 18 SER H 3.610 . 5.420 4.077 3.663 5.156 . 0 0 "[ . 1 . 2]" 4
77 1 13 VAL HA 1 17 TYR H 3.810 . 5.820 3.146 2.863 4.005 . 0 0 "[ . 1 . 2]" 4
78 1 17 TYR H 1 19 GLY H 3.900 . 6.000 4.051 3.772 5.001 . 0 0 "[ . 1 . 2]" 4
79 1 16 GLN HA 1 18 SER H 3.480 . 5.170 4.682 4.050 5.922 0.752 14 1 "[ . 1 +. 2]" 4
80 1 18 SER H 1 20 ARG H 3.380 . 4.960 4.312 3.951 4.695 . 0 0 "[ . 1 . 2]" 4
81 1 16 GLN HA 1 19 GLY H 2.920 . 4.040 3.842 3.326 7.423 3.383 14 2 "[ . 1 +. -]" 4
82 1 20 ARG H 1 25 HIS HA 3.190 . 4.590 8.287 7.550 9.301 4.711 6 20 [***-*+**************] 4
83 1 20 ARG HA 1 22 GLY H 3.490 . 5.180 5.777 4.094 6.833 1.653 20 13 "[ **.*** **** * *-+]" 4
84 1 25 HIS HA 1 27 LEU H 3.100 . 4.410 6.794 6.262 6.992 2.582 17 20 [***-************+***] 4
85 1 29 LYS H 1 32 LEU HG 2.650 . 3.500 4.059 2.526 6.138 2.638 15 11 "[ - *** ** * + ** *]" 4
86 1 29 LYS H 1 32 LEU H 3.250 . 4.700 4.105 3.544 5.065 0.365 15 0 "[ . 1 . 2]" 4
87 1 29 LYS H 1 33 LYS H 3.280 . 4.760 5.912 5.343 6.416 1.656 6 20 [*****+-*************] 4
88 1 29 LYS QB 1 31 GLU H 3.620 . 5.450 4.478 3.987 5.466 0.016 6 0 "[ . 1 . 2]" 4
89 1 29 LYS QG 1 32 LEU H 2.780 . 3.760 5.022 4.702 5.634 1.874 15 20 [**-***********+*****] 4
90 1 28 LYS QD 1 32 LEU H 3.900 . 6.000 6.567 5.638 7.492 1.492 2 12 "[*+ .* * *- **.*** *]" 4
91 1 28 LYS QB 1 32 LEU H 3.290 . 4.780 5.604 4.624 6.066 1.286 3 15 "[*-+*. ** *****.** **]" 4
92 1 31 GLU HA 1 33 LYS H 3.040 . 4.290 5.030 4.694 5.278 0.988 9 17 "[ *****+*******-***]" 4
93 1 28 LYS QD 1 33 LYS H 3.900 . 6.000 8.407 7.457 9.088 3.088 1 20 [+***-***************] 4
94 1 28 LYS QB 1 33 LYS H 2.540 . 3.270 7.650 6.330 8.102 4.832 20 20 [*****************-*+] 4
95 1 32 LEU H 1 34 GLU H 3.730 . 5.660 4.026 3.781 4.400 . 0 0 "[ . 1 . 2]" 4
96 1 32 LEU HA 1 36 ILE H 3.440 . 5.090 4.296 4.020 4.618 . 0 0 "[ . 1 . 2]" 4
97 1 34 GLU HA 1 38 ASN H 3.720 . 5.640 4.161 3.203 4.610 . 0 0 "[ . 1 . 2]" 4
98 1 38 ASN H 1 40 LEU H 3.230 . 4.660 3.641 2.773 4.507 . 0 0 "[ . 1 . 2]" 4
99 1 39 GLU H 1 41 SER H 3.150 . 4.500 4.225 2.891 5.138 0.638 18 3 "[ * .- 1 . + 2]" 4
100 1 36 ILE HA 1 39 GLU H 3.290 . 4.790 3.835 3.019 4.880 0.090 6 0 "[ . 1 . 2]" 4
101 1 37 ASN HA 1 41 SER H 2.980 . 4.160 4.297 2.672 5.772 1.612 2 7 "[ +* . -* * . ** 2]" 4
102 1 40 LEU HA 1 42 HIS H 3.410 . 5.020 4.022 3.045 5.921 0.901 8 4 "[ . + 1 -**. 2]" 4
103 1 52 VAL HA 1 54 ASP H 3.250 . 4.700 4.110 3.835 4.506 . 0 0 "[ . 1 . 2]" 4
104 1 57 MET H 1 59 THR H 3.280 . 4.760 4.459 3.859 4.764 0.004 1 0 "[ . 1 . 2]" 4
105 1 58 GLU H 1 60 LEU H 3.570 . 5.340 4.012 3.583 4.484 . 0 0 "[ . 1 . 2]" 4
106 1 58 GLU HA 1 60 LEU H 3.340 . 4.880 4.511 3.678 5.501 0.621 17 4 "[* *-. 1 . + 2]" 4
107 1 56 VAL HA 1 60 LEU H 3.350 . 4.900 3.748 2.793 4.480 . 0 0 "[ . 1 . 2]" 4
108 1 57 MET HA 1 61 ASP H 3.580 . 5.360 4.186 3.049 5.864 0.504 9 1 "[ . +1 . 2]" 4
109 1 59 THR HA 1 62 ASN H 3.050 . 4.300 6.826 5.088 8.199 3.899 16 20 [***-***********+****] 4
110 1 61 ASP HA 1 63 ASP H 3.590 . 5.380 3.565 3.153 4.094 . 0 0 "[ . 1 . 2]" 4
111 1 62 ASN HA 1 64 GLY H 2.940 . 4.080 4.633 3.566 5.171 1.091 8 11 "[ * ** + *** .** -*]" 4
112 1 62 ASN HA 1 65 ASP H 3.520 . 5.240 7.180 6.475 7.723 2.483 17 20 [***-************+***] 4
113 1 65 ASP H 1 67 GLU H 3.600 . 5.410 3.791 2.865 4.189 . 0 0 "[ . 1 . 2]" 4
114 1 63 ASP H 1 65 ASP H 3.500 . 5.200 4.640 3.843 5.408 0.208 3 0 "[ . 1 . 2]" 4
115 1 66 GLY H 1 68 CYS H 3.170 . 4.540 6.074 5.447 7.005 2.465 19 20 [***************-**+*] 4
116 1 70 PHE H 1 73 PHE QB 2.600 . 3.400 4.556 4.184 5.043 1.643 18 20 [********-********+**] 4
117 1 70 PHE H 1 73 PHE H 3.090 . 4.380 4.573 4.333 4.663 0.283 18 0 "[ . 1 . 2]" 4
118 1 70 PHE HA 1 72 GLU H 3.830 . 5.860 4.206 3.882 4.508 . 0 0 "[ . 1 . 2]" 4
119 1 70 PHE HB3 1 72 GLU H 3.380 . 4.960 4.795 4.460 5.018 0.058 1 0 "[ . 1 . 2]" 4
120 1 72 GLU H 1 74 MET H 3.650 . 5.500 4.562 4.257 4.861 . 0 0 "[ . 1 . 2]" 4
121 1 74 MET H 1 76 PHE H 3.580 . 5.370 3.828 3.692 4.085 . 0 0 "[ . 1 . 2]" 4
122 1 76 PHE H 1 78 ALA H 3.600 . 5.410 3.552 3.401 3.779 . 0 0 "[ . 1 . 2]" 4
123 1 72 GLU HA 1 76 PHE H 3.870 . 5.940 3.879 3.524 4.227 . 0 0 "[ . 1 . 2]" 4
124 1 75 ALA H 1 77 VAL H 3.190 . 4.590 4.914 4.594 5.130 0.540 14 1 "[ . 1 +. 2]" 4
125 1 78 ALA H 1 80 VAL H 3.480 . 5.160 4.722 4.336 4.919 . 0 0 "[ . 1 . 2]" 4
126 1 77 VAL H 1 79 MET H 3.280 . 4.760 4.436 4.104 4.728 . 0 0 "[ . 1 . 2]" 4
127 1 77 VAL HA 1 80 VAL H 3.090 . 4.380 3.966 3.347 4.290 . 0 0 "[ . 1 . 2]" 4
128 1 82 THR HA 1 85 HIS H 3.080 . 4.360 3.040 2.824 3.345 . 0 0 "[ . 1 . 2]" 4
129 1 81 THR HA 1 85 HIS H 3.500 . 5.210 4.790 4.463 5.388 0.178 9 0 "[ . 1 . 2]" 4
130 1 86 GLU H 1 88 PHE H 3.230 . 4.660 4.194 3.650 4.858 0.198 20 0 "[ . 1 . 2]" 4
131 1 84 CYS HA 1 87 PHE H 3.280 . 4.760 3.442 3.136 4.059 . 0 0 "[ . 1 . 2]" 4
132 1 85 HIS HA 1 88 PHE H 3.170 . 4.540 3.781 3.179 4.476 . 0 0 "[ . 1 . 2]" 4
133 1 86 GLU HA 1 89 GLU H 3.160 . 4.520 3.545 2.741 4.294 . 0 0 "[ . 1 . 2]" 4
134 1 87 PHE HA 1 90 HIS H 3.210 . 4.630 6.684 3.548 8.069 3.439 9 17 "[*** -***+* ***** ***]" 4
135 1 3 LEU H 1 6 ALA H 3.900 . 6.000 4.836 4.620 5.050 . 0 0 "[ . 1 . 2]" 4
136 1 3 LEU H 1 5 LYS H 3.900 . 6.000 4.745 4.451 5.063 . 0 0 "[ . 1 . 2]" 4
137 1 5 LYS H 1 7 MET H 3.900 . 6.000 3.971 3.666 4.845 . 0 0 "[ . 1 . 2]" 4
138 1 4 GLU H 1 6 ALA H 3.900 . 6.000 3.935 3.437 4.299 . 0 0 "[ . 1 . 2]" 4
139 1 10 LEU H 1 13 VAL H 3.900 . 6.000 4.856 4.545 5.037 . 0 0 "[ . 1 . 2]" 4
140 1 10 LEU H 1 12 ASP H 3.900 . 6.000 4.384 4.098 4.765 . 0 0 "[ . 1 . 2]" 4
141 1 11 ILE H 1 13 VAL H 3.900 . 6.000 3.950 3.711 4.650 . 0 0 "[ . 1 . 2]" 4
142 1 12 ASP H 1 14 PHE H 3.900 . 6.000 4.202 3.943 4.404 . 0 0 "[ . 1 . 2]" 4
143 1 13 VAL H 1 15 HIS H 3.900 . 6.000 4.229 4.005 4.669 . 0 0 "[ . 1 . 2]" 4
144 1 28 LYS HA 1 32 LEU H 3.900 . 6.000 5.358 5.042 5.625 . 0 0 "[ . 1 . 2]" 4
145 1 33 LYS H 1 35 LEU H 3.900 . 6.000 4.763 4.296 5.132 . 0 0 "[ . 1 . 2]" 4
146 1 37 ASN H 1 39 GLU H 3.900 . 6.000 4.133 3.172 4.665 . 0 0 "[ . 1 . 2]" 4
147 1 35 LEU H 1 37 ASN H 3.900 . 6.000 4.295 3.767 4.821 . 0 0 "[ . 1 . 2]" 4
148 1 36 ILE H 1 38 ASN H 3.900 . 6.000 4.075 3.491 5.250 . 0 0 "[ . 1 . 2]" 4
149 1 40 LEU H 1 42 HIS H 3.900 . 6.000 5.263 4.110 6.562 0.562 13 1 "[ . 1 + . 2]" 4
150 1 39 GLU HA 1 42 HIS H 3.900 . 6.000 6.546 4.672 8.242 2.242 8 9 "[ * . *+ 1 ***.- **]" 4
151 1 41 SER HA 1 43 PHE H 3.900 . 6.000 4.952 3.943 5.830 . 0 0 "[ . 1 . 2]" 4
152 1 43 PHE H 1 45 GLU H 3.900 . 6.000 4.716 3.118 6.764 0.764 10 1 "[ . + . 2]" 4
153 1 42 HIS HA 1 45 GLU H 3.900 . 6.000 4.988 2.582 9.601 3.601 12 4 "[ * . * - + . 2]" 4
154 1 41 SER HA 1 45 GLU H 3.900 . 6.000 5.549 2.791 10.232 4.232 12 7 "[ * . * - +**. *2]" 4
155 1 53 VAL H 1 55 LYS H 3.900 . 6.000 3.854 3.402 4.213 . 0 0 "[ . 1 . 2]" 4
156 1 52 VAL HB 1 54 ASP H 3.900 . 6.000 5.198 4.960 5.602 . 0 0 "[ . 1 . 2]" 4
157 1 54 ASP H 1 56 VAL H 3.900 . 6.000 3.939 3.751 4.439 . 0 0 "[ . 1 . 2]" 4
158 1 64 GLY H 1 67 GLU H 3.900 . 6.000 5.217 4.490 5.947 . 0 0 "[ . 1 . 2]" 4
159 1 65 ASP H 1 68 CYS H 3.900 . 6.000 7.573 6.732 8.029 2.029 3 20 [**+******-**********] 4
160 1 62 ASN QB 1 65 ASP H 3.900 . 6.000 6.758 5.082 8.132 2.132 2 11 "[*+*** - 1 *** **2]" 4
161 1 62 ASN QB 1 67 GLU H 3.900 . 6.000 6.532 3.560 9.231 3.231 14 11 "[***** - 1 *+* **2]" 4
162 1 71 GLN H 1 74 MET H 3.900 . 6.000 5.259 5.136 5.377 . 0 0 "[ . 1 . 2]" 4
163 1 72 GLU H 1 75 ALA H 3.900 . 6.000 4.863 4.647 5.104 . 0 0 "[ . 1 . 2]" 4
164 1 70 PHE H 1 72 GLU H 3.900 . 6.000 4.093 3.839 4.381 . 0 0 "[ . 1 . 2]" 4
165 1 71 GLN HA 1 73 PHE H 3.900 . 6.000 4.164 3.780 4.587 . 0 0 "[ . 1 . 2]" 4
166 1 69 ASP HA 1 73 PHE H 3.900 . 6.000 5.131 4.981 5.194 . 0 0 "[ . 1 . 2]" 4
167 1 73 PHE H 1 75 ALA H 3.900 . 6.000 4.024 3.687 4.553 . 0 0 "[ . 1 . 2]" 4
168 1 70 PHE H 1 74 MET H 3.900 . 6.000 6.475 6.340 6.603 0.603 18 7 "[ * - * * *. + *]" 4
169 1 69 ASP HA 1 74 MET H 3.900 . 6.000 7.644 7.371 7.780 1.780 20 20 [********-**********+] 4
170 1 77 VAL HA 1 79 MET H 3.900 . 6.000 4.291 3.907 4.594 . 0 0 "[ . 1 . 2]" 4
171 1 79 MET H 1 81 THR H 3.900 . 6.000 3.634 3.469 3.777 . 0 0 "[ . 1 . 2]" 4
172 1 81 THR H 1 83 ALA H 3.900 . 6.000 3.827 3.762 3.888 . 0 0 "[ . 1 . 2]" 4
173 1 82 THR H 1 84 CYS H 3.900 . 6.000 4.011 3.750 4.161 . 0 0 "[ . 1 . 2]" 4
174 1 82 THR HA 1 84 CYS H 3.900 . 6.000 3.988 3.685 4.270 . 0 0 "[ . 1 . 2]" 4
175 2 7 MET HA 2 10 LEU QB 2.910 . 4.120 2.916 2.346 4.079 . 0 0 "[ . 1 . 2]" 4
176 2 7 MET HA 2 10 LEU H 3.070 . 4.390 3.832 3.414 4.425 0.035 15 0 "[ . 1 . 2]" 4
177 2 76 PHE HA 2 79 MET QB 2.910 . 4.120 3.469 2.953 3.895 . 0 0 "[ . 1 . 2]" 4
178 2 76 PHE HA 2 79 MET H 2.920 . 4.090 3.588 3.400 3.906 . 0 0 "[ . 1 . 2]" 4
179 2 79 MET HA 2 82 THR HB 2.760 . 3.820 4.659 3.546 4.827 1.007 1 17 "[+*****- *** ****** *]" 4
180 2 79 MET HA 2 82 THR H 2.890 . 4.030 3.647 3.581 3.688 . 0 0 "[ . 1 . 2]" 4
181 2 84 CYS HA 2 87 PHE QB 3.210 . 4.710 3.242 1.895 4.185 . 0 0 "[ . 1 . 2]" 4
182 2 81 THR HA 2 84 CYS QB 3.140 . 4.580 3.920 3.713 4.180 . 0 0 "[ . 1 . 2]" 4
183 2 81 THR HG1 2 84 CYS QB 3.850 . 6.000 6.364 5.571 7.060 1.060 1 10 "[+ * .* *1 - ** * **]" 4
184 2 81 THR MG 2 84 CYS QB 3.850 . 6.000 4.984 4.712 5.329 . 0 0 "[ . 1 . 2]" 4
185 2 10 LEU HA 2 13 VAL HB 2.640 . 3.580 2.886 2.132 4.645 1.065 15 2 "[ . 1 - + 2]" 4
186 2 10 LEU HA 2 13 VAL H 2.940 . 4.130 3.477 3.273 3.714 . 0 0 "[ . 1 . 2]" 4
187 2 10 LEU HA 2 14 PHE H 3.170 . 4.590 4.437 3.894 4.694 0.104 16 0 "[ . 1 . 2]" 4
188 2 85 HIS HA 2 88 PHE QB 3.250 . 4.790 3.737 2.364 4.976 0.186 2 0 "[ . 1 . 2]" 4
189 2 82 THR HA 2 85 HIS QB 3.220 . 4.740 2.349 1.823 3.049 . 0 0 "[ . 1 . 2]" 4
190 2 81 THR HG1 2 85 HIS QB 3.850 . 6.000 6.965 5.867 8.001 2.001 19 16 "[ ********** -** * +*]" 4
191 2 13 VAL HA 2 16 GLN QB 3.100 . 4.500 2.300 1.833 2.991 . 0 0 "[ . 1 . 2]" 4
192 2 13 VAL HA 2 16 GLN H 2.920 . 4.090 3.446 2.746 4.000 . 0 0 "[ . 1 . 2]" 4
193 2 55 LYS HA 2 58 GLU QB 3.000 . 4.290 3.380 2.997 3.829 . 0 0 "[ . 1 . 2]" 4
194 2 55 LYS HA 2 58 GLU H 2.810 . 3.870 3.732 3.518 4.036 0.166 4 0 "[ . 1 . 2]" 4
195 2 3 LEU HA 2 6 ALA MB 3.120 . 4.540 2.311 1.953 2.689 . 0 0 "[ . 1 . 2]" 4
196 2 3 LEU HA 2 6 ALA H 3.340 . 4.930 3.510 3.252 3.981 . 0 0 "[ . 1 . 2]" 4
197 2 32 LEU HA 2 35 LEU H 3.500 . 5.250 3.582 2.980 3.842 . 0 0 "[ . 1 . 2]" 4
198 2 35 LEU HA 2 38 ASN QB 3.060 . 4.420 2.867 2.020 5.070 0.650 19 1 "[ . 1 . +2]" 4
199 2 35 LEU HA 2 38 ASN H 3.320 . 4.890 3.812 3.390 4.653 . 0 0 "[ . 1 . 2]" 4
200 2 32 LEU HA 2 35 LEU QB 3.500 . 5.290 2.881 2.150 3.283 . 0 0 "[ . 1 . 2]" 4
201 2 52 VAL HA 2 55 LYS QB 3.060 . 4.420 2.643 2.255 3.164 . 0 0 "[ . 1 . 2]" 4
202 2 52 VAL HA 2 55 LYS H 3.000 . 4.250 3.285 3.143 3.446 . 0 0 "[ . 1 . 2]" 4
203 2 56 VAL HA 2 59 THR HB 3.010 . 4.320 2.888 2.274 3.931 . 0 0 "[ . 1 . 2]" 4
204 2 73 PHE HA 2 76 PHE QB 3.420 . 5.130 2.546 1.855 3.209 . 0 0 "[ . 1 . 2]" 4
205 2 73 PHE HA 2 76 PHE H 3.000 . 4.290 3.521 3.171 3.815 . 0 0 "[ . 1 . 2]" 4
206 2 15 HIS HA 2 18 SER H 3.360 . 4.970 3.737 3.171 4.083 . 0 0 "[ . 1 . 2]" 4
207 2 71 GLN HA 2 74 MET H 2.770 . 3.850 3.947 3.693 4.225 0.375 15 0 "[ . 1 . 2]" 4
208 2 74 MET HA 2 77 VAL H 2.900 . 4.050 3.803 3.443 4.240 0.190 19 0 "[ . 1 . 2]" 4
209 2 71 GLN HA 2 74 MET QB 2.520 . 3.350 3.765 3.295 4.237 0.887 2 9 "[*+* . *1 -* ** *]" 4
210 2 77 VAL HA 2 80 VAL HB 3.260 . 4.820 3.706 3.087 4.271 . 0 0 "[ . 1 . 2]" 4
211 2 12 ASP HA 2 15 HIS HB3 3.850 . 6.000 4.317 3.217 5.328 . 0 0 "[ . 1 . 2]" 4
212 2 48 LYS HA 2 50 GLN H 3.160 . 4.620 5.230 3.736 6.697 2.077 17 14 "[ ***.****-** **+ *2]" 4
213 2 48 LYS QG 2 50 GLN H 3.340 . 4.980 4.243 1.857 5.909 0.929 2 3 "[ + - 1* . 2]" 4
214 2 30 SER HA 2 33 LYS H 3.430 . 5.110 3.598 3.015 4.064 . 0 0 "[ . 1 . 2]" 4
215 2 6 ALA HA 2 9 ALA H 2.750 . 3.750 3.543 3.280 3.769 0.019 13 0 "[ . 1 . 2]" 4
216 2 56 VAL HA 2 59 THR H 3.290 . 4.830 3.042 2.794 3.418 . 0 0 "[ . 1 . 2]" 4
217 2 53 VAL HA 2 56 VAL HB 2.880 . 4.050 4.354 3.644 4.608 0.558 12 6 "[ - . **1 + .** 2]" 4
218 2 11 ILE HA 2 14 PHE H 3.270 . 4.790 3.283 2.917 3.586 . 0 0 "[ . 1 . 2]" 4
219 2 28 LYS QD 2 33 LYS HA 3.850 . 6.000 10.881 9.729 11.644 5.644 14 20 [****-********+******] 4
220 2 4 GLU HA 2 7 MET QB 3.560 . 5.420 2.795 2.202 4.069 . 0 0 "[ . 1 . 2]" 4
221 2 4 GLU HA 2 7 MET H 3.110 . 4.470 3.626 3.430 4.216 . 0 0 "[ . 1 . 2]" 4
222 2 33 LYS HA 2 36 ILE H 3.020 . 4.290 3.715 3.404 4.292 0.002 6 0 "[ . 1 . 2]" 4
223 2 33 LYS HA 2 36 ILE HB 2.900 . 4.100 3.021 2.338 3.600 . 0 0 "[ . 1 . 2]" 4
224 2 58 GLU HA 2 61 ASP H 3.040 . 4.330 4.015 3.176 4.314 . 0 0 "[ . 1 . 2]" 4
225 2 75 ALA HA 2 78 ALA H 3.350 . 4.950 3.527 3.196 3.881 . 0 0 "[ . 1 . 2]" 4
226 2 80 VAL HA 2 83 ALA H 2.670 . 3.650 4.604 4.554 4.654 1.004 8 20 [******-+************] 4
227 2 38 ASN HA 2 41 SER QB 3.270 . 4.830 4.832 3.589 7.756 2.926 10 6 "[ **- * +* . 2]" 4
228 2 51 GLU HA 2 54 ASP H 3.540 . 5.370 4.250 4.129 4.296 . 0 0 "[ . 1 . 2]" 4
229 2 72 GLU HA 2 75 ALA H 3.230 . 4.710 3.478 3.124 3.674 . 0 0 "[ . 1 . 2]" 4
230 2 83 ALA HA 2 86 GLU HB2 2.920 . 4.130 3.459 2.221 4.898 0.768 13 3 "[ - . *1 + . 2]" 4
231 2 14 PHE HA 2 17 TYR QB 3.190 . 4.680 3.624 3.029 5.954 1.274 3 1 "[ + . 1 . 2]" 4
232 2 14 PHE HA 2 17 TYR H 3.280 . 4.860 4.266 3.612 4.603 . 0 0 "[ . 1 . 2]" 4
233 2 53 VAL HA 2 56 VAL H 3.060 . 4.370 3.856 3.689 3.955 . 0 0 "[ . 1 . 2]" 4
234 2 53 VAL HA 2 57 MET H 3.240 . 4.730 3.942 3.443 4.911 0.181 17 0 "[ . 1 . 2]" 4
235 2 48 LYS QG 2 53 VAL QG 3.850 . 6.000 5.563 4.823 5.825 . 0 0 "[ . 1 . 2]" 4
236 2 54 ASP HA 2 56 VAL H 3.530 . 5.310 4.664 4.214 4.981 . 0 0 "[ . 1 . 2]" 4
237 2 54 ASP HA 2 57 MET H 2.830 . 3.900 3.800 3.461 3.900 . 0 0 "[ . 1 . 2]" 4
238 2 57 MET HA 2 60 LEU H 3.100 . 4.450 3.992 3.295 4.423 . 0 0 "[ . 1 . 2]" 4
239 2 78 ALA HA 2 81 THR HB 3.170 . 4.630 2.910 2.546 3.908 . 0 0 "[ . 1 . 2]" 4
240 2 78 ALA HA 2 81 THR MG 3.760 . 5.820 3.806 3.147 4.149 . 0 0 "[ . 1 . 2]" 4
241 2 78 ALA HA 2 81 THR H 3.090 . 4.430 3.945 3.696 4.053 . 0 0 "[ . 1 . 2]" 4
242 2 9 ALA HA 2 13 VAL H 3.210 . 4.710 4.456 4.105 4.602 . 0 0 "[ . 1 . 2]" 4
243 2 9 ALA HA 2 12 ASP H 3.110 . 4.470 3.547 3.230 3.862 . 0 0 "[ . 1 . 2]" 4
244 2 81 THR HA 2 84 CYS H 3.120 . 4.490 4.374 4.318 4.409 . 0 0 "[ . 1 . 2]" 4
245 2 2 GLU QB 2 4 GLU H 3.350 . 4.900 4.234 3.881 4.715 . 0 0 "[ . 1 . 2]" 4
246 2 2 GLU QB 2 5 LYS H 3.460 . 5.120 5.396 4.495 5.636 0.516 7 2 "[ . + 1 . - 2]" 4
247 2 6 ALA HA 2 10 LEU H 3.500 . 5.200 3.605 3.049 4.273 . 0 0 "[ . 1 . 2]" 4
248 2 15 HIS H 2 17 TYR H 3.710 . 5.620 4.581 4.007 5.249 . 0 0 "[ . 1 . 2]" 4
249 2 12 ASP HA 2 15 HIS H 3.240 . 4.680 3.767 3.307 4.106 . 0 0 "[ . 1 . 2]" 4
250 2 16 GLN H 2 18 SER H 3.610 . 5.420 4.029 3.471 5.153 . 0 0 "[ . 1 . 2]" 4
251 2 13 VAL HA 2 17 TYR H 3.810 . 5.820 3.244 2.760 4.061 . 0 0 "[ . 1 . 2]" 4
252 2 17 TYR H 2 19 GLY H 3.900 . 6.000 4.317 3.783 5.052 . 0 0 "[ . 1 . 2]" 4
253 2 16 GLN HA 2 18 SER H 3.480 . 5.170 4.554 3.680 5.918 0.748 6 2 "[ - .+ 1 . 2]" 4
254 2 18 SER H 2 20 ARG H 3.380 . 4.960 4.482 3.864 5.644 0.684 8 2 "[ . + 1 . -]" 4
255 2 16 GLN HA 2 19 GLY H 2.920 . 4.040 4.276 3.181 7.512 3.472 2 5 "[ +* .* 1 *. -]" 4
256 2 20 ARG H 2 25 HIS HA 3.190 . 4.590 8.367 7.618 10.078 5.488 20 20 [****************-**+] 4
257 2 20 ARG HA 2 22 GLY H 3.490 . 5.180 6.044 4.074 7.024 1.844 10 13 "[ *. ***+***-** **2]" 4
258 2 25 HIS HA 2 27 LEU H 3.100 . 4.410 6.743 6.367 6.949 2.539 6 20 [*****+***-**********] 4
259 2 29 LYS H 2 32 LEU HG 2.650 . 3.500 4.150 1.987 6.497 2.997 5 11 "[* **+ * 1* * .*- **]" 4
260 2 29 LYS H 2 32 LEU H 3.250 . 4.700 4.420 3.501 5.055 0.355 3 0 "[ . 1 . 2]" 4
261 2 29 LYS H 2 33 LYS H 3.280 . 4.760 6.057 5.331 6.578 1.818 7 20 [******+**-**********] 4
262 2 29 LYS QB 2 31 GLU H 3.620 . 5.450 4.744 3.990 5.692 0.242 5 0 "[ . 1 . 2]" 4
263 2 29 LYS QG 2 32 LEU H 2.780 . 3.760 5.121 4.686 6.166 2.406 3 20 [**+****-************] 4
264 2 28 LYS QD 2 32 LEU H 3.900 . 6.000 6.760 5.705 7.681 1.681 13 17 "[*-* .*******+***** *]" 4
265 2 28 LYS QB 2 32 LEU H 3.290 . 4.780 5.391 4.647 6.149 1.369 6 12 "[ * .+ *** ***** *-2]" 4
266 2 31 GLU HA 2 33 LYS H 3.040 . 4.290 4.990 4.379 5.303 1.013 14 18 "[************ +* *-**]" 4
267 2 28 LYS QD 2 33 LYS H 3.900 . 6.000 8.550 7.502 9.274 3.274 14 20 [****-********+******] 4
268 2 28 LYS QB 2 33 LYS H 2.540 . 3.270 7.363 6.251 8.062 4.792 8 20 [-******+************] 4
269 2 32 LEU H 2 34 GLU H 3.730 . 5.660 4.119 3.757 4.856 . 0 0 "[ . 1 . 2]" 4
270 2 32 LEU HA 2 36 ILE H 3.440 . 5.090 4.294 3.787 4.552 . 0 0 "[ . 1 . 2]" 4
271 2 34 GLU HA 2 38 ASN H 3.720 . 5.640 4.116 2.803 4.669 . 0 0 "[ . 1 . 2]" 4
272 2 38 ASN H 2 40 LEU H 3.230 . 4.660 3.583 2.760 4.529 . 0 0 "[ . 1 . 2]" 4
273 2 39 GLU H 2 41 SER H 3.150 . 4.500 4.259 3.483 4.989 0.489 20 0 "[ . 1 . 2]" 4
274 2 36 ILE HA 2 39 GLU H 3.290 . 4.790 3.857 3.023 4.548 . 0 0 "[ . 1 . 2]" 4
275 2 37 ASN HA 2 41 SER H 2.980 . 4.160 4.270 2.956 6.069 1.909 14 7 "[ * 1 -+.* ***]" 4
276 2 40 LEU HA 2 42 HIS H 3.410 . 5.020 3.948 3.081 5.997 0.977 4 1 "[ +. 1 . 2]" 4
277 2 52 VAL HA 2 54 ASP H 3.250 . 4.700 4.000 3.635 4.367 . 0 0 "[ . 1 . 2]" 4
278 2 57 MET H 2 59 THR H 3.280 . 4.760 4.468 4.252 4.737 . 0 0 "[ . 1 . 2]" 4
279 2 58 GLU H 2 60 LEU H 3.570 . 5.340 4.137 3.707 4.475 . 0 0 "[ . 1 . 2]" 4
280 2 58 GLU HA 2 60 LEU H 3.340 . 4.880 4.753 3.703 5.518 0.638 3 8 "[* + . *1 * *.**- 2]" 4
281 2 56 VAL HA 2 60 LEU H 3.350 . 4.900 3.586 2.831 4.435 . 0 0 "[ . 1 . 2]" 4
282 2 57 MET HA 2 61 ASP H 3.580 . 5.360 3.874 3.079 4.677 . 0 0 "[ . 1 . 2]" 4
283 2 59 THR HA 2 62 ASN H 3.050 . 4.300 6.488 5.287 7.637 3.337 19 20 [********-*********+*] 4
284 2 61 ASP HA 2 63 ASP H 3.590 . 5.380 3.455 3.074 3.988 . 0 0 "[ . 1 . 2]" 4
285 2 62 ASN HA 2 64 GLY H 2.940 . 4.080 4.376 3.436 5.130 1.050 5 8 "[* +* - .** **]" 4
286 2 62 ASN HA 2 65 ASP H 3.520 . 5.240 6.956 5.981 7.525 2.285 6 20 [*****+*******-******] 4
287 2 65 ASP H 2 67 GLU H 3.600 . 5.410 3.843 2.869 4.336 . 0 0 "[ . 1 . 2]" 4
288 2 63 ASP H 2 65 ASP H 3.500 . 5.200 4.739 3.620 5.504 0.304 6 0 "[ . 1 . 2]" 4
289 2 66 GLY H 2 68 CYS H 3.170 . 4.540 6.026 5.430 6.664 2.124 10 20 [*********+*******-**] 4
290 2 70 PHE H 2 73 PHE QB 2.600 . 3.400 4.528 4.203 5.021 1.621 16 20 [**************-+****] 4
291 2 70 PHE H 2 73 PHE H 3.090 . 4.380 4.576 4.392 4.823 0.443 16 0 "[ . 1 . 2]" 4
292 2 70 PHE HA 2 72 GLU H 3.830 . 5.860 4.225 3.815 4.632 . 0 0 "[ . 1 . 2]" 4
293 2 70 PHE HB3 2 72 GLU H 3.380 . 4.960 4.770 4.374 5.121 0.161 9 0 "[ . 1 . 2]" 4
294 2 72 GLU H 2 74 MET H 3.650 . 5.500 4.591 4.148 4.969 . 0 0 "[ . 1 . 2]" 4
295 2 74 MET H 2 76 PHE H 3.580 . 5.370 3.903 3.605 4.136 . 0 0 "[ . 1 . 2]" 4
296 2 76 PHE H 2 78 ALA H 3.600 . 5.410 3.624 3.413 3.878 . 0 0 "[ . 1 . 2]" 4
297 2 72 GLU HA 2 76 PHE H 3.870 . 5.940 3.845 3.300 4.242 . 0 0 "[ . 1 . 2]" 4
298 2 75 ALA H 2 77 VAL H 3.190 . 4.590 4.880 4.628 5.100 0.510 7 1 "[ . + 1 . 2]" 4
299 2 78 ALA H 2 80 VAL H 3.480 . 5.160 4.746 4.480 5.014 . 0 0 "[ . 1 . 2]" 4
300 2 77 VAL H 2 79 MET H 3.280 . 4.760 4.505 4.154 4.966 0.206 13 0 "[ . 1 . 2]" 4
301 2 77 VAL HA 2 80 VAL H 3.090 . 4.380 3.990 3.714 4.340 . 0 0 "[ . 1 . 2]" 4
302 2 82 THR HA 2 85 HIS H 3.080 . 4.360 2.982 2.846 3.241 . 0 0 "[ . 1 . 2]" 4
303 2 81 THR HA 2 85 HIS H 3.500 . 5.210 4.801 4.410 5.271 0.061 19 0 "[ . 1 . 2]" 4
304 2 86 GLU H 2 88 PHE H 3.230 . 4.660 4.265 3.752 4.896 0.236 1 0 "[ . 1 . 2]" 4
305 2 84 CYS HA 2 87 PHE H 3.280 . 4.760 3.496 2.874 4.047 . 0 0 "[ . 1 . 2]" 4
306 2 85 HIS HA 2 88 PHE H 3.170 . 4.540 3.817 3.189 4.385 . 0 0 "[ . 1 . 2]" 4
307 2 86 GLU HA 2 89 GLU H 3.160 . 4.520 3.544 2.697 4.166 . 0 0 "[ . 1 . 2]" 4
308 2 87 PHE HA 2 90 HIS H 3.210 . 4.630 7.124 5.603 8.447 3.817 2 20 [*+***********-******] 4
309 2 3 LEU H 2 6 ALA H 3.900 . 6.000 4.879 4.620 5.106 . 0 0 "[ . 1 . 2]" 4
310 2 3 LEU H 2 5 LYS H 3.900 . 6.000 4.751 3.888 5.131 . 0 0 "[ . 1 . 2]" 4
311 2 5 LYS H 2 7 MET H 3.900 . 6.000 3.971 3.648 4.763 . 0 0 "[ . 1 . 2]" 4
312 2 4 GLU H 2 6 ALA H 3.900 . 6.000 3.967 3.442 4.531 . 0 0 "[ . 1 . 2]" 4
313 2 10 LEU H 2 13 VAL H 3.900 . 6.000 4.884 4.587 5.075 . 0 0 "[ . 1 . 2]" 4
314 2 10 LEU H 2 12 ASP H 3.900 . 6.000 4.353 3.975 4.957 . 0 0 "[ . 1 . 2]" 4
315 2 11 ILE H 2 13 VAL H 3.900 . 6.000 4.049 3.652 4.807 . 0 0 "[ . 1 . 2]" 4
316 2 12 ASP H 2 14 PHE H 3.900 . 6.000 4.215 3.905 4.749 . 0 0 "[ . 1 . 2]" 4
317 2 13 VAL H 2 15 HIS H 3.900 . 6.000 4.309 3.939 5.012 . 0 0 "[ . 1 . 2]" 4
318 2 28 LYS HA 2 32 LEU H 3.900 . 6.000 5.239 4.971 5.828 . 0 0 "[ . 1 . 2]" 4
319 2 33 LYS H 2 35 LEU H 3.900 . 6.000 4.823 3.933 5.227 . 0 0 "[ . 1 . 2]" 4
320 2 37 ASN H 2 39 GLU H 3.900 . 6.000 4.171 3.357 4.671 . 0 0 "[ . 1 . 2]" 4
321 2 35 LEU H 2 37 ASN H 3.900 . 6.000 4.414 3.824 4.947 . 0 0 "[ . 1 . 2]" 4
322 2 36 ILE H 2 38 ASN H 3.900 . 6.000 4.068 3.528 5.057 . 0 0 "[ . 1 . 2]" 4
323 2 40 LEU H 2 42 HIS H 3.900 . 6.000 5.282 4.225 5.933 . 0 0 "[ . 1 . 2]" 4
324 2 39 GLU HA 2 42 HIS H 3.900 . 6.000 6.738 4.649 8.361 2.361 4 13 "[* -+.******* ** * 2]" 4
325 2 41 SER HA 2 43 PHE H 3.900 . 6.000 5.030 3.936 5.787 . 0 0 "[ . 1 . 2]" 4
326 2 43 PHE H 2 45 GLU H 3.900 . 6.000 4.869 3.367 7.365 1.365 11 2 "[ . 1+ .- 2]" 4
327 2 42 HIS HA 2 45 GLU H 3.900 . 6.000 5.283 2.561 8.302 2.302 11 7 "[ * *- 1+* .** 2]" 4
328 2 41 SER HA 2 45 GLU H 3.900 . 6.000 5.640 2.735 10.434 4.434 11 6 "[ - *. * *+ * 2]" 4
329 2 53 VAL H 2 55 LYS H 3.900 . 6.000 3.967 3.607 4.425 . 0 0 "[ . 1 . 2]" 4
330 2 52 VAL HB 2 54 ASP H 3.900 . 6.000 5.144 4.881 5.346 . 0 0 "[ . 1 . 2]" 4
331 2 54 ASP H 2 56 VAL H 3.900 . 6.000 3.913 3.642 4.162 . 0 0 "[ . 1 . 2]" 4
332 2 64 GLY H 2 67 GLU H 3.900 . 6.000 5.145 4.440 5.937 . 0 0 "[ . 1 . 2]" 4
333 2 65 ASP H 2 68 CYS H 3.900 . 6.000 7.727 7.075 8.261 2.261 7 20 [******+**-**********] 4
334 2 62 ASN QB 2 65 ASP H 3.900 . 6.000 7.192 5.485 8.227 2.227 16 15 "[ ***.****1** -*+** *]" 4
335 2 62 ASN QB 2 67 GLU H 3.900 . 6.000 7.205 3.888 9.939 3.939 16 15 "[ ***.****1** -*+** *]" 4
336 2 71 GLN H 2 74 MET H 3.900 . 6.000 5.255 5.043 5.354 . 0 0 "[ . 1 . 2]" 4
337 2 72 GLU H 2 75 ALA H 3.900 . 6.000 4.856 4.606 5.000 . 0 0 "[ . 1 . 2]" 4
338 2 70 PHE H 2 72 GLU H 3.900 . 6.000 4.076 3.822 4.419 . 0 0 "[ . 1 . 2]" 4
339 2 71 GLN HA 2 73 PHE H 3.900 . 6.000 4.094 3.816 4.613 . 0 0 "[ . 1 . 2]" 4
340 2 69 ASP HA 2 73 PHE H 3.900 . 6.000 5.132 4.992 5.373 . 0 0 "[ . 1 . 2]" 4
341 2 73 PHE H 2 75 ALA H 3.900 . 6.000 3.943 3.420 4.383 . 0 0 "[ . 1 . 2]" 4
342 2 70 PHE H 2 74 MET H 3.900 . 6.000 6.454 6.221 6.611 0.611 6 6 "[ * .+*-*1 .* 2]" 4
343 2 69 ASP HA 2 74 MET H 3.900 . 6.000 7.605 7.428 7.828 1.828 16 20 [************-**+****] 4
344 2 77 VAL HA 2 79 MET H 3.900 . 6.000 4.385 4.049 4.876 . 0 0 "[ . 1 . 2]" 4
345 2 79 MET H 2 81 THR H 3.900 . 6.000 3.678 3.531 3.888 . 0 0 "[ . 1 . 2]" 4
346 2 81 THR H 2 83 ALA H 3.900 . 6.000 3.864 3.799 4.004 . 0 0 "[ . 1 . 2]" 4
347 2 82 THR H 2 84 CYS H 3.900 . 6.000 4.055 3.856 4.237 . 0 0 "[ . 1 . 2]" 4
348 2 82 THR HA 2 84 CYS H 3.900 . 6.000 3.946 3.684 4.238 . 0 0 "[ . 1 . 2]" 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 136
_Distance_constraint_stats_list.Viol_count 813
_Distance_constraint_stats_list.Viol_total 17171.707
_Distance_constraint_stats_list.Viol_max 9.061
_Distance_constraint_stats_list.Viol_rms 1.3413
_Distance_constraint_stats_list.Viol_average_all_restraints 0.3157
_Distance_constraint_stats_list.Viol_average_violations_only 1.0561
_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 0.025 0.005 4 0 "[ . 1 . 2]"
1 3 LEU 1.345 0.700 15 1 "[ . 1 + 2]"
1 5 LYS 0.093 0.022 11 0 "[ . 1 . 2]"
1 6 ALA 0.039 0.005 4 0 "[ . 1 . 2]"
1 7 MET 1.346 0.700 15 1 "[ . 1 + 2]"
1 8 VAL 0.094 0.030 5 0 "[ . 1 . 2]"
1 9 ALA 0.098 0.022 11 0 "[ . 1 . 2]"
1 10 LEU 0.044 0.008 20 0 "[ . 1 . 2]"
1 11 ILE 0.235 0.062 20 0 "[ . 1 . 2]"
1 12 ASP 0.136 0.030 5 0 "[ . 1 . 2]"
1 13 VAL 0.011 0.006 20 0 "[ . 1 . 2]"
1 14 PHE 0.247 0.051 20 0 "[ . 1 . 2]"
1 15 HIS 10.211 3.224 14 2 "[ . 1 +. -]"
1 16 GLN 0.041 0.012 14 0 "[ . 1 . 2]"
1 17 TYR 0.006 0.006 20 0 "[ . 1 . 2]"
1 18 SER 0.217 0.051 20 0 "[ . 1 . 2]"
1 19 GLY 9.978 3.224 14 2 "[ . 1 +. -]"
1 28 LYS 310.792 9.057 7 20 [******+*******-*****]
1 30 SER 0.140 0.049 20 0 "[ . 1 . 2]"
1 31 GLU 0.103 0.029 1 0 "[ . 1 . 2]"
1 32 LEU 0.129 0.047 3 0 "[ . 1 . 2]"
1 33 LYS 0.023 0.023 16 0 "[ . 1 . 2]"
1 34 GLU 0.144 0.049 20 0 "[ . 1 . 2]"
1 35 LEU 0.218 0.029 1 0 "[ . 1 . 2]"
1 36 ILE 0.411 0.047 3 0 "[ . 1 . 2]"
1 37 ASN 62.878 3.641 13 19 "[-***********+** ****]"
1 38 ASN 0.003 0.003 7 0 "[ . 1 . 2]"
1 39 GLU 0.115 0.020 10 0 "[ . 1 . 2]"
1 40 LEU 0.282 0.041 19 0 "[ . 1 . 2]"
1 41 SER 62.855 3.641 13 19 "[-***********+** ****]"
1 57 MET 11.842 1.459 9 7 "[ * .* *+* .*- 2]"
1 61 ASP 11.842 1.459 9 7 "[ * .* *+* .*- 2]"
1 69 ASP 310.792 9.057 7 20 [******+*******-*****]
1 70 PHE 0.544 0.085 18 0 "[ . 1 . 2]"
1 71 GLN 0.955 0.093 16 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 PHE 0.911 0.120 17 0 "[ . 1 . 2]"
1 74 MET 0.545 0.085 18 0 "[ . 1 . 2]"
1 75 ALA 1.284 0.093 16 0 "[ . 1 . 2]"
1 76 PHE 1.182 0.101 17 0 "[ . 1 . 2]"
1 77 VAL 1.051 0.120 17 0 "[ . 1 . 2]"
1 78 ALA 0.001 0.001 18 0 "[ . 1 . 2]"
1 79 MET 0.329 0.068 20 0 "[ . 1 . 2]"
1 80 VAL 1.182 0.101 17 0 "[ . 1 . 2]"
1 81 THR 0.140 0.031 20 0 "[ . 1 . 2]"
1 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ALA 20.385 2.236 17 9 "[ * * 1- ****+ *2]"
1 87 PHE 20.385 2.236 17 9 "[ * * 1- ****+ *2]"
2 2 GLU 0.045 0.010 6 0 "[ . 1 . 2]"
2 3 LEU 0.359 0.303 10 0 "[ . 1 . 2]"
2 5 LYS 0.093 0.020 11 0 "[ . 1 . 2]"
2 6 ALA 0.084 0.010 6 0 "[ . 1 . 2]"
2 7 MET 0.384 0.303 10 0 "[ . 1 . 2]"
2 8 VAL 0.129 0.026 13 0 "[ . 1 . 2]"
2 9 ALA 0.127 0.020 11 0 "[ . 1 . 2]"
2 10 LEU 0.126 0.035 12 0 "[ . 1 . 2]"
2 11 ILE 0.389 0.069 15 0 "[ . 1 . 2]"
2 12 ASP 0.191 0.026 2 0 "[ . 1 . 2]"
2 13 VAL 0.034 0.011 11 0 "[ . 1 . 2]"
2 14 PHE 0.432 0.078 15 0 "[ . 1 . 2]"
2 15 HIS 26.490 3.362 2 10 "[*+* .*-**1 * *. *]"
2 16 GLN 0.062 0.026 2 0 "[ . 1 . 2]"
2 17 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 SER 0.344 0.078 15 0 "[ . 1 . 2]"
2 19 GLY 26.126 3.362 2 10 "[*+* .*-**1 * *. *]"
2 28 LYS 298.017 9.061 2 20 [*+****-*************]
2 30 SER 0.152 0.044 10 0 "[ . 1 . 2]"
2 31 GLU 0.149 0.036 13 0 "[ . 1 . 2]"
2 32 LEU 0.030 0.027 15 0 "[ . 1 . 2]"
2 33 LYS 0.022 0.022 1 0 "[ . 1 . 2]"
2 34 GLU 0.174 0.044 10 0 "[ . 1 . 2]"
2 35 LEU 0.266 0.036 13 0 "[ . 1 . 2]"
2 36 ILE 0.195 0.029 19 0 "[ . 1 . 2]"
2 37 ASN 66.432 3.991 14 20 [*************+****-*]
2 38 ASN 0.022 0.008 17 0 "[ . 1 . 2]"
2 39 GLU 0.117 0.027 13 0 "[ . 1 . 2]"
2 40 LEU 0.165 0.029 19 0 "[ . 1 . 2]"
2 41 SER 66.410 3.991 14 20 [*************+****-*]
2 57 MET 8.141 0.721 15 3 "[ . * 1 + - 2]"
2 61 ASP 8.141 0.721 15 3 "[ . * 1 + - 2]"
2 69 ASP 298.017 9.061 2 20 [*+****-*************]
2 70 PHE 0.436 0.088 6 0 "[ . 1 . 2]"
2 71 GLN 0.929 0.101 13 0 "[ . 1 . 2]"
2 72 GLU 0.010 0.010 20 0 "[ . 1 . 2]"
2 73 PHE 0.721 0.094 20 0 "[ . 1 . 2]"
2 74 MET 0.464 0.088 6 0 "[ . 1 . 2]"
2 75 ALA 1.125 0.101 13 0 "[ . 1 . 2]"
2 76 PHE 0.967 0.122 4 0 "[ . 1 . 2]"
2 77 VAL 0.853 0.094 20 0 "[ . 1 . 2]"
2 78 ALA 0.028 0.020 13 0 "[ . 1 . 2]"
2 79 MET 0.196 0.047 6 0 "[ . 1 . 2]"
2 80 VAL 0.957 0.122 4 0 "[ . 1 . 2]"
2 81 THR 0.132 0.034 20 0 "[ . 1 . 2]"
2 82 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 83 ALA 31.427 1.902 15 16 "[* * *** ***-**+****2]"
2 87 PHE 31.427 1.902 15 16 "[* * *** ***-**+****2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLU O 1 6 ALA H 2.050 . 2.300 2.231 2.103 2.305 0.005 4 0 "[ . 1 . 2]" 5
2 1 2 GLU O 1 6 ALA N 2.800 2.300 3.300 3.124 2.922 3.280 . 0 0 "[ . 1 . 2]" 5
3 1 3 LEU O 1 7 MET H 2.050 . 2.300 2.174 2.090 3.000 0.700 15 1 "[ . 1 + 2]" 5
4 1 3 LEU O 1 7 MET N 2.800 2.300 3.300 2.769 2.539 3.777 0.477 15 0 "[ . 1 . 2]" 5
5 1 5 LYS O 1 9 ALA H 2.050 . 2.300 2.284 2.112 2.322 0.022 11 0 "[ . 1 . 2]" 5
6 1 5 LYS O 1 9 ALA N 2.800 2.300 3.300 3.182 2.953 3.286 . 0 0 "[ . 1 . 2]" 5
7 1 6 ALA O 1 10 LEU H 2.050 . 2.300 2.208 2.104 2.304 0.004 5 0 "[ . 1 . 2]" 5
8 1 6 ALA O 1 10 LEU N 2.800 2.300 3.300 3.086 2.914 3.259 . 0 0 "[ . 1 . 2]" 5
9 1 7 MET O 1 11 ILE H 2.050 . 2.300 2.132 2.079 2.301 0.001 15 0 "[ . 1 . 2]" 5
10 1 7 MET O 1 11 ILE N 2.800 2.300 3.300 3.013 2.851 3.177 . 0 0 "[ . 1 . 2]" 5
11 1 8 VAL O 1 12 ASP H 2.050 . 2.300 2.298 2.258 2.330 0.030 5 0 "[ . 1 . 2]" 5
12 1 8 VAL O 1 12 ASP N 2.800 2.300 3.300 3.181 3.101 3.268 . 0 0 "[ . 1 . 2]" 5
13 1 9 ALA O 1 13 VAL H 2.050 . 2.300 2.219 2.099 2.304 0.004 5 0 "[ . 1 . 2]" 5
14 1 9 ALA O 1 13 VAL N 2.800 2.300 3.300 3.004 2.804 3.121 . 0 0 "[ . 1 . 2]" 5
15 1 10 LEU O 1 14 PHE H 2.050 . 2.300 2.212 2.093 2.308 0.008 20 0 "[ . 1 . 2]" 5
16 1 10 LEU O 1 14 PHE N 2.800 2.300 3.300 3.032 2.796 3.212 . 0 0 "[ . 1 . 2]" 5
17 1 11 ILE O 1 15 HIS H 2.050 . 2.300 2.308 2.247 2.362 0.062 20 0 "[ . 1 . 2]" 5
18 1 11 ILE O 1 15 HIS N 2.800 2.300 3.300 3.266 3.213 3.285 . 0 0 "[ . 1 . 2]" 5
19 1 12 ASP O 1 16 GLN H 2.050 . 2.300 2.222 2.100 2.312 0.012 14 0 "[ . 1 . 2]" 5
20 1 12 ASP O 1 16 GLN N 2.800 2.300 3.300 3.028 2.786 3.185 . 0 0 "[ . 1 . 2]" 5
21 1 13 VAL O 1 17 TYR H 2.050 . 2.300 2.114 2.084 2.306 0.006 20 0 "[ . 1 . 2]" 5
22 1 13 VAL O 1 17 TYR N 2.800 2.300 3.300 2.974 2.904 3.194 . 0 0 "[ . 1 . 2]" 5
23 1 14 PHE O 1 18 SER H 2.050 . 2.300 2.299 2.104 2.351 0.051 20 0 "[ . 1 . 2]" 5
24 1 14 PHE O 1 18 SER N 2.800 2.300 3.300 3.092 2.892 3.208 . 0 0 "[ . 1 . 2]" 5
25 1 15 HIS O 1 19 GLY H 2.050 . 2.300 2.467 2.098 5.524 3.224 14 2 "[ . 1 +. -]" 5
26 1 15 HIS O 1 19 GLY N 2.800 2.300 3.300 3.049 2.510 5.636 2.336 14 2 "[ . 1 +. -]" 5
27 1 30 SER O 1 34 GLU H 2.050 . 2.300 2.238 2.098 2.349 0.049 20 0 "[ . 1 . 2]" 5
28 1 30 SER O 1 34 GLU N 2.800 2.300 3.300 3.125 2.992 3.324 0.024 20 0 "[ . 1 . 2]" 5
29 1 31 GLU O 1 35 LEU H 2.050 . 2.300 2.220 2.063 2.329 0.029 1 0 "[ . 1 . 2]" 5
30 1 31 GLU O 1 35 LEU N 2.800 2.300 3.300 3.163 2.973 3.286 . 0 0 "[ . 1 . 2]" 5
31 1 32 LEU O 1 36 ILE H 2.050 . 2.300 2.177 2.078 2.347 0.047 3 0 "[ . 1 . 2]" 5
32 1 32 LEU O 1 36 ILE N 2.800 2.300 3.300 3.110 2.953 3.257 . 0 0 "[ . 1 . 2]" 5
33 1 33 LYS O 1 37 ASN H 2.050 . 2.300 2.119 2.075 2.323 0.023 16 0 "[ . 1 . 2]" 5
34 1 33 LYS O 1 37 ASN N 2.800 2.300 3.300 2.944 2.598 3.213 . 0 0 "[ . 1 . 2]" 5
35 1 34 GLU O 1 38 ASN H 2.050 . 2.300 2.155 2.073 2.303 0.003 7 0 "[ . 1 . 2]" 5
36 1 34 GLU O 1 38 ASN N 2.800 2.300 3.300 2.747 2.497 3.041 . 0 0 "[ . 1 . 2]" 5
37 1 35 LEU O 1 39 GLU H 2.050 . 2.300 2.245 2.097 2.320 0.020 10 0 "[ . 1 . 2]" 5
38 1 35 LEU O 1 39 GLU N 2.800 2.300 3.300 2.974 2.567 3.258 . 0 0 "[ . 1 . 2]" 5
39 1 36 ILE O 1 40 LEU H 2.050 . 2.300 2.284 2.091 2.341 0.041 19 0 "[ . 1 . 2]" 5
40 1 36 ILE O 1 40 LEU N 2.800 2.300 3.300 2.969 2.709 3.292 . 0 0 "[ . 1 . 2]" 5
41 1 37 ASN O 1 41 SER H 2.050 . 2.300 4.194 2.467 5.941 3.641 13 19 "[-***********+** ****]" 5
42 1 37 ASN O 1 41 SER N 2.800 2.300 3.300 4.457 2.598 6.765 3.465 13 15 "[ **** ***1**+** *-*]" 5
43 1 57 MET O 1 61 ASP H 2.050 . 2.300 2.715 2.101 3.759 1.459 9 7 "[ * .* *+* .*- 2]" 5
44 1 57 MET O 1 61 ASP N 2.800 2.300 3.300 3.385 2.823 3.754 0.454 2 0 "[ . 1 . 2]" 5
45 1 28 LYS O 1 69 ASP H 2.050 . 2.300 10.624 9.282 11.357 9.057 7 20 [******+*******-*****] 5
46 1 28 LYS O 1 69 ASP N 2.800 2.300 3.300 10.516 9.239 11.242 7.942 7 20 [******+*******-*****] 5
47 1 70 PHE O 1 74 MET H 2.050 . 2.300 2.300 2.186 2.385 0.085 18 0 "[ . 1 . 2]" 5
48 1 70 PHE O 1 74 MET N 2.800 2.300 3.300 3.230 3.129 3.322 0.022 18 0 "[ . 1 . 2]" 5
49 1 71 GLN O 1 75 ALA H 2.050 . 2.300 2.345 2.313 2.393 0.093 16 0 "[ . 1 . 2]" 5
50 1 71 GLN O 1 75 ALA N 2.800 2.300 3.300 3.261 3.090 3.323 0.023 16 0 "[ . 1 . 2]" 5
51 1 72 GLU O 1 76 PHE H 2.050 . 2.300 2.077 2.042 2.103 . 0 0 "[ . 1 . 2]" 5
52 1 72 GLU O 1 76 PHE N 2.800 2.300 3.300 2.716 2.552 2.849 . 0 0 "[ . 1 . 2]" 5
53 1 73 PHE O 1 77 VAL H 2.050 . 2.300 2.338 2.190 2.420 0.120 17 0 "[ . 1 . 2]" 5
54 1 73 PHE O 1 77 VAL N 2.800 2.300 3.300 3.267 3.091 3.321 0.021 17 0 "[ . 1 . 2]" 5
55 1 74 MET O 1 78 ALA H 2.050 . 2.300 2.115 2.065 2.301 0.001 18 0 "[ . 1 . 2]" 5
56 1 74 MET O 1 78 ALA N 2.800 2.300 3.300 2.932 2.822 3.150 . 0 0 "[ . 1 . 2]" 5
57 1 75 ALA O 1 79 MET H 2.050 . 2.300 2.273 2.097 2.368 0.068 20 0 "[ . 1 . 2]" 5
58 1 75 ALA O 1 79 MET N 2.800 2.300 3.300 3.117 2.877 3.273 . 0 0 "[ . 1 . 2]" 5
59 1 76 PHE O 1 80 VAL H 2.050 . 2.300 2.348 2.100 2.401 0.101 17 0 "[ . 1 . 2]" 5
60 1 76 PHE O 1 80 VAL N 2.800 2.300 3.300 3.151 2.927 3.311 0.011 9 0 "[ . 1 . 2]" 5
61 1 77 VAL O 1 81 THR H 2.050 . 2.300 2.267 2.098 2.331 0.031 20 0 "[ . 1 . 2]" 5
62 1 77 VAL O 1 81 THR N 2.800 2.300 3.300 2.955 2.784 3.045 . 0 0 "[ . 1 . 2]" 5
63 1 78 ALA O 1 82 THR H 2.050 . 2.300 2.099 2.070 2.165 . 0 0 "[ . 1 . 2]" 5
64 1 78 ALA O 1 82 THR N 2.800 2.300 3.300 3.035 2.967 3.126 . 0 0 "[ . 1 . 2]" 5
65 1 79 MET O 1 83 ALA H 2.050 . 2.300 1.953 1.915 2.031 . 0 0 "[ . 1 . 2]" 5
66 1 79 MET O 1 83 ALA N 2.800 2.300 3.300 2.414 2.355 2.687 . 0 0 "[ . 1 . 2]" 5
67 1 83 ALA O 1 87 PHE H 2.050 . 2.300 2.867 2.118 4.536 2.236 17 9 "[ * * 1- ****+ *2]" 5
68 1 83 ALA O 1 87 PHE N 2.800 2.300 3.300 3.650 2.826 5.092 1.792 17 5 "[ - 1 *.*+ *2]" 5
69 2 2 GLU O 2 6 ALA H 2.050 . 2.300 2.245 2.100 2.310 0.010 6 0 "[ . 1 . 2]" 5
70 2 2 GLU O 2 6 ALA N 2.800 2.300 3.300 3.145 2.857 3.272 . 0 0 "[ . 1 . 2]" 5
71 2 3 LEU O 2 7 MET H 2.050 . 2.300 2.138 2.088 2.603 0.303 10 0 "[ . 1 . 2]" 5
72 2 3 LEU O 2 7 MET N 2.800 2.300 3.300 2.748 2.564 3.083 . 0 0 "[ . 1 . 2]" 5
73 2 5 LYS O 2 9 ALA H 2.050 . 2.300 2.280 2.103 2.320 0.020 11 0 "[ . 1 . 2]" 5
74 2 5 LYS O 2 9 ALA N 2.800 2.300 3.300 3.191 2.772 3.268 . 0 0 "[ . 1 . 2]" 5
75 2 6 ALA O 2 10 LEU H 2.050 . 2.300 2.196 2.097 2.309 0.009 14 0 "[ . 1 . 2]" 5
76 2 6 ALA O 2 10 LEU N 2.800 2.300 3.300 3.085 2.908 3.262 . 0 0 "[ . 1 . 2]" 5
77 2 7 MET O 2 11 ILE H 2.050 . 2.300 2.139 2.097 2.318 0.018 7 0 "[ . 1 . 2]" 5
78 2 7 MET O 2 11 ILE N 2.800 2.300 3.300 3.008 2.876 3.180 . 0 0 "[ . 1 . 2]" 5
79 2 8 VAL O 2 12 ASP H 2.050 . 2.300 2.271 2.107 2.326 0.026 13 0 "[ . 1 . 2]" 5
80 2 8 VAL O 2 12 ASP N 2.800 2.300 3.300 3.160 2.916 3.281 . 0 0 "[ . 1 . 2]" 5
81 2 9 ALA O 2 13 VAL H 2.050 . 2.300 2.224 2.086 2.311 0.011 11 0 "[ . 1 . 2]" 5
82 2 9 ALA O 2 13 VAL N 2.800 2.300 3.300 3.047 2.832 3.202 . 0 0 "[ . 1 . 2]" 5
83 2 10 LEU O 2 14 PHE H 2.050 . 2.300 2.204 2.087 2.335 0.035 12 0 "[ . 1 . 2]" 5
84 2 10 LEU O 2 14 PHE N 2.800 2.300 3.300 3.058 2.919 3.235 . 0 0 "[ . 1 . 2]" 5
85 2 11 ILE O 2 15 HIS H 2.050 . 2.300 2.311 2.217 2.369 0.069 15 0 "[ . 1 . 2]" 5
86 2 11 ILE O 2 15 HIS N 2.800 2.300 3.300 3.263 3.171 3.315 0.015 15 0 "[ . 1 . 2]" 5
87 2 12 ASP O 2 16 GLN H 2.050 . 2.300 2.195 2.069 2.326 0.026 2 0 "[ . 1 . 2]" 5
88 2 12 ASP O 2 16 GLN N 2.800 2.300 3.300 3.001 2.730 3.206 . 0 0 "[ . 1 . 2]" 5
89 2 13 VAL O 2 17 TYR H 2.050 . 2.300 2.093 1.983 2.229 . 0 0 "[ . 1 . 2]" 5
90 2 13 VAL O 2 17 TYR N 2.800 2.300 3.300 2.954 2.742 3.184 . 0 0 "[ . 1 . 2]" 5
91 2 14 PHE O 2 18 SER H 2.050 . 2.300 2.309 2.181 2.378 0.078 15 0 "[ . 1 . 2]" 5
92 2 14 PHE O 2 18 SER N 2.800 2.300 3.300 3.057 2.693 3.273 . 0 0 "[ . 1 . 2]" 5
93 2 15 HIS O 2 19 GLY H 2.050 . 2.300 3.071 2.096 5.662 3.362 2 10 "[*+* .*-**1 * *. *]" 5
94 2 15 HIS O 2 19 GLY N 2.800 2.300 3.300 3.491 2.547 5.765 2.465 2 4 "[ +- .* 1 *. 2]" 5
95 2 30 SER O 2 34 GLU H 2.050 . 2.300 2.244 2.102 2.344 0.044 10 0 "[ . 1 . 2]" 5
96 2 30 SER O 2 34 GLU N 2.800 2.300 3.300 3.116 2.935 3.242 . 0 0 "[ . 1 . 2]" 5
97 2 31 GLU O 2 35 LEU H 2.050 . 2.300 2.214 2.084 2.336 0.036 13 0 "[ . 1 . 2]" 5
98 2 31 GLU O 2 35 LEU N 2.800 2.300 3.300 3.152 2.832 3.313 0.013 13 0 "[ . 1 . 2]" 5
99 2 32 LEU O 2 36 ILE H 2.050 . 2.300 2.182 2.077 2.327 0.027 15 0 "[ . 1 . 2]" 5
100 2 32 LEU O 2 36 ILE N 2.800 2.300 3.300 3.112 2.979 3.260 . 0 0 "[ . 1 . 2]" 5
101 2 33 LYS O 2 37 ASN H 2.050 . 2.300 2.136 2.082 2.322 0.022 1 0 "[ . 1 . 2]" 5
102 2 33 LYS O 2 37 ASN N 2.800 2.300 3.300 3.013 2.659 3.230 . 0 0 "[ . 1 . 2]" 5
103 2 34 GLU O 2 38 ASN H 2.050 . 2.300 2.163 2.088 2.308 0.008 17 0 "[ . 1 . 2]" 5
104 2 34 GLU O 2 38 ASN N 2.800 2.300 3.300 2.693 2.411 3.048 . 0 0 "[ . 1 . 2]" 5
105 2 35 LEU O 2 39 GLU H 2.050 . 2.300 2.258 2.103 2.327 0.027 13 0 "[ . 1 . 2]" 5
106 2 35 LEU O 2 39 GLU N 2.800 2.300 3.300 2.987 2.466 3.306 0.006 13 0 "[ . 1 . 2]" 5
107 2 36 ILE O 2 40 LEU H 2.050 . 2.300 2.248 2.098 2.329 0.029 19 0 "[ . 1 . 2]" 5
108 2 36 ILE O 2 40 LEU N 2.800 2.300 3.300 2.945 2.622 3.290 . 0 0 "[ . 1 . 2]" 5
109 2 37 ASN O 2 41 SER H 2.050 . 2.300 4.339 2.902 6.291 3.991 14 20 [***********-*+******] 5
110 2 37 ASN O 2 41 SER N 2.800 2.300 3.300 4.547 2.945 5.973 2.673 14 16 "[ ******* ** *+.***-*]" 5
111 2 57 MET O 2 61 ASP H 2.050 . 2.300 2.545 2.089 3.021 0.721 15 3 "[ . * 1 + - 2]" 5
112 2 57 MET O 2 61 ASP N 2.800 2.300 3.300 3.301 2.799 3.893 0.593 15 2 "[ . - 1 + 2]" 5
113 2 28 LYS O 2 69 ASP H 2.050 . 2.300 10.321 9.060 11.361 9.061 2 20 [*+****-*************] 5
114 2 28 LYS O 2 69 ASP N 2.800 2.300 3.300 10.180 8.996 11.141 7.841 2 20 [*+****-*************] 5
115 2 70 PHE O 2 74 MET H 2.050 . 2.300 2.289 2.097 2.388 0.088 6 0 "[ . 1 . 2]" 5
116 2 70 PHE O 2 74 MET N 2.800 2.300 3.300 3.218 3.020 3.321 0.021 6 0 "[ . 1 . 2]" 5
117 2 71 GLN O 2 75 ALA H 2.050 . 2.300 2.342 2.261 2.401 0.101 13 0 "[ . 1 . 2]" 5
118 2 71 GLN O 2 75 ALA N 2.800 2.300 3.300 3.251 3.102 3.322 0.022 13 0 "[ . 1 . 2]" 5
119 2 72 GLU O 2 76 PHE H 2.050 . 2.300 2.100 2.041 2.310 0.010 20 0 "[ . 1 . 2]" 5
120 2 72 GLU O 2 76 PHE N 2.800 2.300 3.300 2.778 2.578 3.052 . 0 0 "[ . 1 . 2]" 5
121 2 73 PHE O 2 77 VAL H 2.050 . 2.300 2.314 2.074 2.394 0.094 20 0 "[ . 1 . 2]" 5
122 2 73 PHE O 2 77 VAL N 2.800 2.300 3.300 3.233 2.926 3.300 0.000 16 0 "[ . 1 . 2]" 5
123 2 74 MET O 2 78 ALA H 2.050 . 2.300 2.137 2.078 2.320 0.020 13 0 "[ . 1 . 2]" 5
124 2 74 MET O 2 78 ALA N 2.800 2.300 3.300 2.954 2.810 3.169 . 0 0 "[ . 1 . 2]" 5
125 2 75 ALA O 2 79 MET H 2.050 . 2.300 2.256 2.097 2.347 0.047 6 0 "[ . 1 . 2]" 5
126 2 75 ALA O 2 79 MET N 2.800 2.300 3.300 3.120 2.973 3.277 . 0 0 "[ . 1 . 2]" 5
127 2 76 PHE O 2 80 VAL H 2.050 . 2.300 2.348 2.317 2.422 0.122 4 0 "[ . 1 . 2]" 5
128 2 76 PHE O 2 80 VAL N 2.800 2.300 3.300 3.146 3.035 3.278 . 0 0 "[ . 1 . 2]" 5
129 2 77 VAL O 2 81 THR H 2.050 . 2.300 2.223 2.076 2.334 0.034 20 0 "[ . 1 . 2]" 5
130 2 77 VAL O 2 81 THR N 2.800 2.300 3.300 2.926 2.784 3.041 . 0 0 "[ . 1 . 2]" 5
131 2 78 ALA O 2 82 THR H 2.050 . 2.300 2.123 2.055 2.270 . 0 0 "[ . 1 . 2]" 5
132 2 78 ALA O 2 82 THR N 2.800 2.300 3.300 3.066 2.993 3.225 . 0 0 "[ . 1 . 2]" 5
133 2 79 MET O 2 83 ALA H 2.050 . 2.300 1.940 1.908 1.984 . 0 0 "[ . 1 . 2]" 5
134 2 79 MET O 2 83 ALA N 2.800 2.300 3.300 2.419 2.375 2.507 . 0 0 "[ . 1 . 2]" 5
135 2 83 ALA O 2 87 PHE H 2.050 . 2.300 3.196 2.105 4.202 1.902 15 16 "[* * *** ***-**+****2]" 5
136 2 83 ALA O 2 87 PHE N 2.800 2.300 3.300 3.927 2.958 4.945 1.645 17 12 "[* * .** *** - **+* 2]" 5
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