NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401732 |
1w4e   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w4e
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 778
_Distance_constraint_stats_list.Viol_count 502
_Distance_constraint_stats_list.Viol_total 393.475
_Distance_constraint_stats_list.Viol_max 0.122
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0392
_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 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.055 0.048 11 0 "[ . 1 . 2]"
1 5 ARG 0.216 0.052 3 0 "[ . 1 . 2]"
1 6 VAL 0.161 0.052 3 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.073 0.073 3 0 "[ . 1 . 2]"
1 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.867 0.051 2 0 "[ . 1 . 2]"
1 13 ARG 0.941 0.073 3 0 "[ . 1 . 2]"
1 14 LYS 1.688 0.098 6 0 "[ . 1 . 2]"
1 15 TYR 2.233 0.098 6 0 "[ . 1 . 2]"
1 16 ALA 2.072 0.122 11 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 2.110 0.066 17 0 "[ . 1 . 2]"
1 19 LYS 0.107 0.013 2 0 "[ . 1 . 2]"
1 20 GLY 1.125 0.066 17 0 "[ . 1 . 2]"
1 21 VAL 2.500 0.082 11 0 "[ . 1 . 2]"
1 22 ASP 1.185 0.064 18 0 "[ . 1 . 2]"
1 23 ILE 0.008 0.006 9 0 "[ . 1 . 2]"
1 24 ARG 1.081 0.064 18 0 "[ . 1 . 2]"
1 25 LEU 2.940 0.076 8 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.658 0.053 8 0 "[ . 1 . 2]"
1 29 THR 0.165 0.016 20 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.658 0.053 8 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 1.054 0.067 12 0 "[ . 1 . 2]"
1 37 LYS 0.606 0.039 4 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 2.456 0.067 12 0 "[ . 1 . 2]"
1 40 ILE 3.353 0.122 11 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 4.892 0.082 11 0 "[ . 1 . 2]"
1 44 LEU 1.514 0.070 8 0 "[ . 1 . 2]"
1 45 ALA 0.020 0.006 16 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 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 4 ARG HA 1 4 ARG QG 3.000 . 3.500 2.259 2.004 2.764 . 0 0 "[ . 1 . 2]" 1
2 1 4 ARG QB 1 4 ARG QD 3.000 . 3.500 2.198 1.913 2.780 . 0 0 "[ . 1 . 2]" 1
3 1 5 ARG H 1 5 ARG QB 3.000 . 3.500 2.545 2.038 3.008 . 0 0 "[ . 1 . 2]" 1
4 1 5 ARG H 1 5 ARG QG 4.000 . 4.750 3.533 2.036 4.161 . 0 0 "[ . 1 . 2]" 1
5 1 5 ARG H 1 5 ARG QD 5.000 . 6.000 4.504 2.970 5.177 . 0 0 "[ . 1 . 2]" 1
6 1 5 ARG QB 1 5 ARG QD 3.000 . 3.500 2.159 1.928 2.452 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL H 1 6 VAL HB 3.000 . 3.500 2.712 2.398 3.056 . 0 0 "[ . 1 . 2]" 1
8 1 6 VAL H 1 6 VAL MG2 4.000 . 4.750 2.619 1.917 3.209 . 0 0 "[ . 1 . 2]" 1
9 1 6 VAL HA 1 6 VAL HB 3.000 . 3.500 3.008 2.985 3.022 . 0 0 "[ . 1 . 2]" 1
10 1 7 ILE H 1 7 ILE HB 3.000 . 3.500 2.681 2.562 2.784 . 0 0 "[ . 1 . 2]" 1
11 1 7 ILE H 1 7 ILE MG 4.000 . 4.750 3.857 3.790 3.911 . 0 0 "[ . 1 . 2]" 1
12 1 7 ILE H 1 7 ILE QG 4.000 . 4.750 3.059 2.657 3.355 . 0 0 "[ . 1 . 2]" 1
13 1 7 ILE HA 1 7 ILE HB 3.000 . 3.500 3.021 3.019 3.022 . 0 0 "[ . 1 . 2]" 1
14 1 7 ILE HA 1 7 ILE MG 3.000 . 3.500 2.385 2.361 2.414 . 0 0 "[ . 1 . 2]" 1
15 1 7 ILE HA 1 7 ILE QG 3.000 . 3.500 2.357 2.323 2.486 . 0 0 "[ . 1 . 2]" 1
16 1 7 ILE HB 1 7 ILE MD 3.000 . 3.500 2.133 2.001 2.254 . 0 0 "[ . 1 . 2]" 1
17 1 9 MET H 1 9 MET HB3 4.000 . 4.750 3.412 3.387 3.521 . 0 0 "[ . 1 . 2]" 1
18 1 9 MET H 1 9 MET HB2 3.000 . 3.500 2.108 2.086 2.238 . 0 0 "[ . 1 . 2]" 1
19 1 9 MET H 1 9 MET QG 3.000 . 3.500 3.081 2.653 3.130 . 0 0 "[ . 1 . 2]" 1
20 1 9 MET HA 1 9 MET ME 5.000 . 6.000 4.271 3.794 4.629 . 0 0 "[ . 1 . 2]" 1
21 1 9 MET HB3 1 9 MET ME 4.000 . 4.750 2.970 1.986 3.934 . 0 0 "[ . 1 . 2]" 1
22 1 9 MET HB2 1 9 MET ME 4.000 . 4.750 3.331 2.299 3.958 . 0 0 "[ . 1 . 2]" 1
23 1 12 VAL H 1 12 VAL HA 3.000 . 3.500 2.831 2.819 2.842 . 0 0 "[ . 1 . 2]" 1
24 1 12 VAL H 1 12 VAL HB 3.000 . 3.500 2.546 2.439 2.599 . 0 0 "[ . 1 . 2]" 1
25 1 12 VAL H 1 12 VAL MG2 4.000 . 4.750 2.042 1.955 2.209 . 0 0 "[ . 1 . 2]" 1
26 1 12 VAL HA 1 12 VAL HB 3.000 . 3.500 3.016 3.014 3.018 . 0 0 "[ . 1 . 2]" 1
27 1 12 VAL HA 1 12 VAL MG1 3.000 . 3.500 2.388 2.360 2.441 . 0 0 "[ . 1 . 2]" 1
28 1 12 VAL HA 1 12 VAL MG2 3.000 . 3.500 2.425 2.354 2.460 . 0 0 "[ . 1 . 2]" 1
29 1 13 ARG H 1 13 ARG QB 3.000 . 3.500 2.398 2.131 2.650 . 0 0 "[ . 1 . 2]" 1
30 1 13 ARG H 1 13 ARG QG 3.000 . 3.500 2.421 1.965 3.118 . 0 0 "[ . 1 . 2]" 1
31 1 13 ARG H 1 13 ARG QD 4.000 . 4.750 3.530 2.520 4.175 . 0 0 "[ . 1 . 2]" 1
32 1 13 ARG HA 1 13 ARG QG 3.000 . 3.500 2.371 2.125 2.558 . 0 0 "[ . 1 . 2]" 1
33 1 13 ARG HA 1 13 ARG QD 4.000 . 4.750 3.981 3.721 4.206 . 0 0 "[ . 1 . 2]" 1
34 1 13 ARG QB 1 13 ARG QD 3.000 . 3.500 2.132 1.941 2.379 . 0 0 "[ . 1 . 2]" 1
35 1 14 LYS H 1 14 LYS HA 3.000 . 3.500 2.873 2.871 2.874 . 0 0 "[ . 1 . 2]" 1
36 1 14 LYS H 1 14 LYS QB 3.000 . 3.500 2.270 2.258 2.279 . 0 0 "[ . 1 . 2]" 1
37 1 14 LYS H 1 14 LYS QG 4.000 . 4.750 4.013 4.002 4.036 . 0 0 "[ . 1 . 2]" 1
38 1 14 LYS H 1 14 LYS QD 4.000 . 4.750 4.227 4.204 4.237 . 0 0 "[ . 1 . 2]" 1
39 1 14 LYS HA 1 14 LYS QG 3.000 . 3.500 2.661 2.451 2.907 . 0 0 "[ . 1 . 2]" 1
40 1 14 LYS HA 1 14 LYS QD 4.000 . 4.750 3.031 2.073 4.135 . 0 0 "[ . 1 . 2]" 1
41 1 14 LYS QB 1 14 LYS QD 3.000 . 3.500 2.094 1.919 2.293 . 0 0 "[ . 1 . 2]" 1
42 1 14 LYS QB 1 14 LYS QE 4.000 . 4.750 3.379 2.696 3.731 . 0 0 "[ . 1 . 2]" 1
43 1 14 LYS QE 1 14 LYS QG 3.000 . 3.500 2.094 1.949 2.386 . 0 0 "[ . 1 . 2]" 1
44 1 15 TYR H 1 15 TYR HA 3.000 . 3.500 2.814 2.803 2.820 . 0 0 "[ . 1 . 2]" 1
45 1 15 TYR H 1 15 TYR HB3 3.000 . 3.500 2.433 2.423 2.446 . 0 0 "[ . 1 . 2]" 1
46 1 15 TYR H 1 15 TYR HB2 3.000 . 3.300 2.571 2.549 2.583 . 0 0 "[ . 1 . 2]" 1
47 1 15 TYR H 1 15 TYR QD 4.000 . 4.750 4.171 4.167 4.176 . 0 0 "[ . 1 . 2]" 1
48 1 15 TYR HA 1 15 TYR HB2 3.000 . 3.500 2.425 2.422 2.428 . 0 0 "[ . 1 . 2]" 1
49 1 15 TYR HA 1 15 TYR QD 3.000 . 3.500 2.399 2.357 2.423 . 0 0 "[ . 1 . 2]" 1
50 1 15 TYR HA 1 15 TYR QE 5.000 . 6.000 4.511 4.490 4.520 . 0 0 "[ . 1 . 2]" 1
51 1 15 TYR HB3 1 15 TYR QD 3.000 . 3.500 2.270 2.267 2.273 . 0 0 "[ . 1 . 2]" 1
52 1 15 TYR HB2 1 15 TYR QD 3.000 . 3.500 2.634 2.624 2.648 . 0 0 "[ . 1 . 2]" 1
53 1 16 ALA H 1 16 ALA HA 3.000 . 3.500 2.829 2.824 2.832 . 0 0 "[ . 1 . 2]" 1
54 1 16 ALA H 1 16 ALA MB 3.000 . 3.500 2.124 2.110 2.138 . 0 0 "[ . 1 . 2]" 1
55 1 17 ARG H 1 17 ARG QB 3.000 . 3.500 2.225 2.207 2.238 . 0 0 "[ . 1 . 2]" 1
56 1 17 ARG H 1 17 ARG QG 4.000 . 4.750 3.978 3.946 4.019 . 0 0 "[ . 1 . 2]" 1
57 1 17 ARG H 1 17 ARG QD 4.000 . 4.750 4.245 4.101 4.287 . 0 0 "[ . 1 . 2]" 1
58 1 17 ARG HA 1 17 ARG QD 4.000 . 4.750 3.098 2.160 3.969 . 0 0 "[ . 1 . 2]" 1
59 1 17 ARG QB 1 17 ARG QD 3.000 . 3.500 2.021 1.894 2.339 . 0 0 "[ . 1 . 2]" 1
60 1 18 GLU H 1 18 GLU HA 3.000 . 3.500 2.890 2.887 2.892 . 0 0 "[ . 1 . 2]" 1
61 1 18 GLU H 1 18 GLU HB3 3.000 . 3.500 3.544 3.538 3.549 0.049 20 0 "[ . 1 . 2]" 1
62 1 18 GLU H 1 18 GLU HB2 3.000 . 3.500 2.276 2.261 2.290 . 0 0 "[ . 1 . 2]" 1
63 1 18 GLU H 1 18 GLU QG 3.000 . 3.500 2.782 2.725 2.834 . 0 0 "[ . 1 . 2]" 1
64 1 18 GLU HA 1 18 GLU HB3 3.000 . 3.500 2.580 2.567 2.599 . 0 0 "[ . 1 . 2]" 1
65 1 18 GLU HA 1 18 GLU HB2 3.000 . 3.500 3.007 3.002 3.010 . 0 0 "[ . 1 . 2]" 1
66 1 19 LYS H 1 19 LYS HA 3.000 . 3.500 2.883 2.876 2.889 . 0 0 "[ . 1 . 2]" 1
67 1 19 LYS H 1 19 LYS QB 3.000 . 3.500 2.294 2.245 2.315 . 0 0 "[ . 1 . 2]" 1
68 1 19 LYS H 1 19 LYS QG 3.000 . 3.500 2.728 2.532 3.148 . 0 0 "[ . 1 . 2]" 1
69 1 19 LYS H 1 19 LYS QD 3.000 . 3.500 2.941 2.324 3.133 . 0 0 "[ . 1 . 2]" 1
70 1 19 LYS H 1 19 LYS QE 4.000 . 4.750 4.233 4.145 4.246 . 0 0 "[ . 1 . 2]" 1
71 1 19 LYS HA 1 19 LYS QG 3.000 . 3.500 3.049 3.003 3.068 . 0 0 "[ . 1 . 2]" 1
72 1 19 LYS HA 1 19 LYS QD 4.000 . 4.750 1.954 1.870 2.249 . 0 0 "[ . 1 . 2]" 1
73 1 19 LYS QB 1 19 LYS QD 3.000 . 3.500 2.609 2.524 2.809 . 0 0 "[ . 1 . 2]" 1
74 1 19 LYS QE 1 19 LYS QG 3.000 . 3.500 2.160 2.116 2.227 . 0 0 "[ . 1 . 2]" 1
75 1 21 VAL H 1 21 VAL HA 3.000 . 3.500 2.944 2.937 2.947 . 0 0 "[ . 1 . 2]" 1
76 1 21 VAL H 1 21 VAL HB 3.000 . 3.500 2.536 2.504 2.556 . 0 0 "[ . 1 . 2]" 1
77 1 21 VAL H 1 21 VAL MG1 4.000 . 4.750 3.801 3.784 3.809 . 0 0 "[ . 1 . 2]" 1
78 1 21 VAL H 1 21 VAL MG2 4.000 . 4.750 2.593 2.538 2.635 . 0 0 "[ . 1 . 2]" 1
79 1 21 VAL HA 1 21 VAL HB 3.000 . 3.500 3.023 3.022 3.025 . 0 0 "[ . 1 . 2]" 1
80 1 21 VAL HA 1 21 VAL MG2 3.000 . 3.500 2.338 2.323 2.349 . 0 0 "[ . 1 . 2]" 1
81 1 22 ASP H 1 22 ASP HA 3.000 . 3.500 2.939 2.937 2.941 . 0 0 "[ . 1 . 2]" 1
82 1 22 ASP H 1 22 ASP HB3 3.000 . 3.500 2.719 2.638 2.763 . 0 0 "[ . 1 . 2]" 1
83 1 22 ASP H 1 22 ASP HB2 3.000 . 3.500 2.924 2.862 3.024 . 0 0 "[ . 1 . 2]" 1
84 1 22 ASP HA 1 22 ASP HB2 3.000 . 3.500 2.537 2.482 2.569 . 0 0 "[ . 1 . 2]" 1
85 1 23 ILE H 1 23 ILE HA 3.000 . 3.500 2.725 2.715 2.730 . 0 0 "[ . 1 . 2]" 1
86 1 23 ILE H 1 23 ILE HB 3.000 . 3.500 2.753 2.707 2.791 . 0 0 "[ . 1 . 2]" 1
87 1 23 ILE H 1 23 ILE MG 4.000 . 4.750 3.754 3.744 3.764 . 0 0 "[ . 1 . 2]" 1
88 1 23 ILE H 1 23 ILE MD 5.000 . 6.000 2.813 2.697 2.911 . 0 0 "[ . 1 . 2]" 1
89 1 23 ILE H 1 23 ILE QG 4.000 . 4.750 1.828 1.794 1.857 0.006 9 0 "[ . 1 . 2]" 1
90 1 23 ILE HA 1 23 ILE HB 3.000 . 3.500 3.015 3.012 3.018 . 0 0 "[ . 1 . 2]" 1
91 1 23 ILE HA 1 23 ILE MD 4.000 . 4.750 2.129 1.955 2.280 . 0 0 "[ . 1 . 2]" 1
92 1 23 ILE HA 1 23 ILE QG 3.000 . 3.500 3.011 2.969 3.054 . 0 0 "[ . 1 . 2]" 1
93 1 24 ARG H 1 24 ARG QB 3.000 . 3.500 2.306 2.105 2.650 . 0 0 "[ . 1 . 2]" 1
94 1 24 ARG H 1 24 ARG QG 3.000 . 3.500 2.616 1.953 3.107 . 0 0 "[ . 1 . 2]" 1
95 1 24 ARG H 1 24 ARG QD 4.000 . 4.750 3.782 3.023 4.237 . 0 0 "[ . 1 . 2]" 1
96 1 24 ARG HA 1 24 ARG QD 4.000 . 4.750 3.696 1.962 4.244 . 0 0 "[ . 1 . 2]" 1
97 1 24 ARG QB 1 24 ARG QD 3.000 . 3.500 2.088 1.922 2.432 . 0 0 "[ . 1 . 2]" 1
98 1 25 LEU H 1 25 LEU HA 3.000 . 3.500 2.891 2.885 2.895 . 0 0 "[ . 1 . 2]" 1
99 1 25 LEU H 1 25 LEU HB3 3.000 . 3.500 3.564 3.559 3.576 0.076 8 0 "[ . 1 . 2]" 1
100 1 25 LEU H 1 25 LEU HB2 3.000 . 3.500 2.915 2.890 2.925 . 0 0 "[ . 1 . 2]" 1
101 1 25 LEU H 1 25 LEU HG 3.000 . 3.500 1.835 1.822 1.850 . 0 0 "[ . 1 . 2]" 1
102 1 25 LEU H 1 25 LEU MD1 4.000 . 4.750 3.533 3.502 3.545 . 0 0 "[ . 1 . 2]" 1
103 1 25 LEU H 1 25 LEU MD2 4.000 . 4.750 2.606 2.497 2.764 . 0 0 "[ . 1 . 2]" 1
104 1 25 LEU HA 1 25 LEU HB3 3.000 . 3.500 2.267 2.264 2.275 . 0 0 "[ . 1 . 2]" 1
105 1 25 LEU HA 1 25 LEU HB2 3.000 . 3.500 2.953 2.949 2.960 . 0 0 "[ . 1 . 2]" 1
106 1 25 LEU HA 1 25 LEU HG 3.000 . 3.500 3.515 3.473 3.530 0.030 6 0 "[ . 1 . 2]" 1
107 1 25 LEU HA 1 25 LEU MD1 4.000 . 4.750 3.978 3.972 3.996 . 0 0 "[ . 1 . 2]" 1
108 1 25 LEU HA 1 25 LEU MD2 4.000 . 4.750 2.361 2.252 2.490 . 0 0 "[ . 1 . 2]" 1
109 1 25 LEU HB3 1 25 LEU HG 3.000 . 3.500 3.012 3.011 3.014 . 0 0 "[ . 1 . 2]" 1
110 1 25 LEU HB2 1 25 LEU HG 3.000 . 3.500 2.468 2.459 2.498 . 0 0 "[ . 1 . 2]" 1
111 1 26 VAL H 1 26 VAL HA 3.000 . 3.500 2.947 2.945 2.948 . 0 0 "[ . 1 . 2]" 1
112 1 26 VAL H 1 26 VAL HB 3.000 . 3.500 2.822 2.808 2.851 . 0 0 "[ . 1 . 2]" 1
113 1 26 VAL H 1 26 VAL MG2 4.000 . 4.750 2.397 2.175 2.480 . 0 0 "[ . 1 . 2]" 1
114 1 26 VAL HA 1 26 VAL HB 3.000 . 3.500 3.001 2.996 3.004 . 0 0 "[ . 1 . 2]" 1
115 1 26 VAL HA 1 26 VAL MG1 3.000 . 3.500 2.198 2.079 2.287 . 0 0 "[ . 1 . 2]" 1
116 1 27 GLN H 1 27 GLN QB 3.000 . 3.500 2.130 2.063 2.212 . 0 0 "[ . 1 . 2]" 1
117 1 27 GLN H 1 27 GLN QG 4.000 . 4.750 3.745 3.626 3.840 . 0 0 "[ . 1 . 2]" 1
118 1 27 GLN HA 1 27 GLN QG 3.000 . 3.500 2.146 2.000 2.242 . 0 0 "[ . 1 . 2]" 1
119 1 27 GLN HA 1 27 GLN QE 5.000 . 6.000 4.215 3.522 4.697 . 0 0 "[ . 1 . 2]" 1
120 1 29 THR H 1 29 THR HB 3.000 . 3.500 3.508 3.503 3.516 0.016 20 0 "[ . 1 . 2]" 1
121 1 29 THR H 1 29 THR MG 4.000 . 4.750 3.446 3.421 3.479 . 0 0 "[ . 1 . 2]" 1
122 1 31 LYS H 1 31 LYS QB 3.000 . 3.500 2.988 2.871 3.118 . 0 0 "[ . 1 . 2]" 1
123 1 31 LYS H 1 31 LYS QG 4.000 . 4.750 3.615 2.912 4.260 . 0 0 "[ . 1 . 2]" 1
124 1 31 LYS HA 1 31 LYS QD 3.000 . 3.500 2.804 1.987 3.126 . 0 0 "[ . 1 . 2]" 1
125 1 31 LYS QB 1 31 LYS QD 3.000 . 3.500 2.292 2.069 2.635 . 0 0 "[ . 1 . 2]" 1
126 1 31 LYS QB 1 31 LYS QE 3.000 . 3.500 2.260 1.965 2.653 . 0 0 "[ . 1 . 2]" 1
127 1 31 LYS QE 1 31 LYS QG 3.000 . 3.500 2.217 1.968 2.452 . 0 0 "[ . 1 . 2]" 1
128 1 34 ARG H 1 34 ARG QB 3.000 . 3.500 2.255 2.227 2.272 . 0 0 "[ . 1 . 2]" 1
129 1 34 ARG H 1 34 ARG QG 4.000 . 4.750 3.971 3.955 4.000 . 0 0 "[ . 1 . 2]" 1
130 1 34 ARG H 1 34 ARG QD 5.000 . 6.000 4.566 4.194 4.880 . 0 0 "[ . 1 . 2]" 1
131 1 34 ARG HA 1 34 ARG QG 3.000 . 3.500 2.471 2.183 2.588 . 0 0 "[ . 1 . 2]" 1
132 1 34 ARG QB 1 34 ARG QD 3.000 . 3.500 2.245 2.064 2.460 . 0 0 "[ . 1 . 2]" 1
133 1 35 VAL H 1 35 VAL HB 3.000 . 3.500 2.353 2.314 2.394 . 0 0 "[ . 1 . 2]" 1
134 1 35 VAL H 1 35 VAL MG2 4.000 . 4.750 2.558 2.451 2.663 . 0 0 "[ . 1 . 2]" 1
135 1 35 VAL HA 1 35 VAL HB 3.000 . 3.500 3.010 3.002 3.017 . 0 0 "[ . 1 . 2]" 1
136 1 36 LEU H 1 36 LEU HB3 4.000 . 4.750 3.651 3.638 3.677 . 0 0 "[ . 1 . 2]" 1
137 1 36 LEU H 1 36 LEU HB2 3.000 . 3.500 2.443 2.422 2.486 . 0 0 "[ . 1 . 2]" 1
138 1 36 LEU H 1 36 LEU HG 3.000 . 3.500 3.001 2.910 3.145 . 0 0 "[ . 1 . 2]" 1
139 1 36 LEU H 1 36 LEU QD 4.000 . 4.750 3.264 3.214 3.330 . 0 0 "[ . 1 . 2]" 1
140 1 36 LEU HA 1 36 LEU HG 4.000 . 4.750 3.303 3.251 3.323 . 0 0 "[ . 1 . 2]" 1
141 1 36 LEU HA 1 36 LEU QD 3.000 . 3.500 1.972 1.953 2.010 . 0 0 "[ . 1 . 2]" 1
142 1 36 LEU HB3 1 36 LEU HG 3.000 . 3.500 3.001 2.996 3.009 . 0 0 "[ . 1 . 2]" 1
143 1 36 LEU HB3 1 36 LEU QD 3.000 . 3.500 2.107 2.000 2.133 . 0 0 "[ . 1 . 2]" 1
144 1 36 LEU HB2 1 36 LEU HG 3.000 . 3.500 2.341 2.328 2.364 . 0 0 "[ . 1 . 2]" 1
145 1 36 LEU HB2 1 36 LEU QD 3.000 . 3.500 2.394 2.332 2.471 . 0 0 "[ . 1 . 2]" 1
146 1 37 LYS H 1 37 LYS HA 3.000 . 3.500 2.793 2.789 2.801 . 0 0 "[ . 1 . 2]" 1
147 1 37 LYS H 1 37 LYS HB3 3.000 . 3.500 2.655 2.523 2.721 . 0 0 "[ . 1 . 2]" 1
148 1 37 LYS H 1 37 LYS HB2 3.000 . 3.500 2.454 2.394 2.577 . 0 0 "[ . 1 . 2]" 1
149 1 37 LYS H 1 37 LYS QG 4.000 . 4.750 3.981 3.945 4.024 . 0 0 "[ . 1 . 2]" 1
150 1 37 LYS HA 1 37 LYS HB3 3.000 . 3.500 3.026 3.021 3.029 . 0 0 "[ . 1 . 2]" 1
151 1 37 LYS HA 1 37 LYS HB2 3.000 . 3.500 2.505 2.445 2.541 . 0 0 "[ . 1 . 2]" 1
152 1 37 LYS HA 1 37 LYS QG 3.000 . 3.500 2.380 2.351 2.419 . 0 0 "[ . 1 . 2]" 1
153 1 37 LYS HA 1 37 LYS QD 4.000 . 4.750 3.801 3.063 4.123 . 0 0 "[ . 1 . 2]" 1
154 1 37 LYS HB3 1 37 LYS QD 3.000 . 3.500 2.308 1.961 3.010 . 0 0 "[ . 1 . 2]" 1
155 1 37 LYS QE 1 37 LYS QG 3.000 . 3.500 2.111 1.944 2.300 . 0 0 "[ . 1 . 2]" 1
156 1 38 GLU H 1 38 GLU HA 3.000 . 3.500 2.827 2.819 2.832 . 0 0 "[ . 1 . 2]" 1
157 1 38 GLU H 1 38 GLU QB 3.000 . 3.500 2.400 2.042 2.604 . 0 0 "[ . 1 . 2]" 1
158 1 38 GLU H 1 38 GLU QG 4.000 . 4.750 2.492 1.975 3.482 . 0 0 "[ . 1 . 2]" 1
159 1 38 GLU HA 1 38 GLU QG 3.000 . 3.500 2.693 2.338 3.080 . 0 0 "[ . 1 . 2]" 1
160 1 39 ASP H 1 39 ASP HA 3.000 . 3.500 2.829 2.818 2.839 . 0 0 "[ . 1 . 2]" 1
161 1 39 ASP H 1 39 ASP HB3 3.000 . 3.500 3.508 3.503 3.515 0.015 4 0 "[ . 1 . 2]" 1
162 1 39 ASP H 1 39 ASP HB2 3.000 . 3.500 2.209 2.200 2.224 . 0 0 "[ . 1 . 2]" 1
163 1 39 ASP HA 1 39 ASP HB3 3.000 . 3.500 2.652 2.637 2.666 . 0 0 "[ . 1 . 2]" 1
164 1 40 ILE H 1 40 ILE HA 3.000 . 3.500 2.768 2.765 2.772 . 0 0 "[ . 1 . 2]" 1
165 1 40 ILE H 1 40 ILE HB 3.000 . 3.500 2.682 2.655 2.715 . 0 0 "[ . 1 . 2]" 1
166 1 40 ILE H 1 40 ILE MG 4.000 . 4.750 3.767 3.762 3.774 . 0 0 "[ . 1 . 2]" 1
167 1 40 ILE H 1 40 ILE MD 4.000 . 4.750 2.799 2.672 2.923 . 0 0 "[ . 1 . 2]" 1
168 1 40 ILE H 1 40 ILE QG 3.000 . 3.300 1.900 1.875 1.920 . 0 0 "[ . 1 . 2]" 1
169 1 40 ILE HA 1 40 ILE MG 3.000 . 3.500 2.320 2.290 2.344 . 0 0 "[ . 1 . 2]" 1
170 1 40 ILE HA 1 40 ILE MD 4.000 . 4.750 2.180 2.155 2.202 . 0 0 "[ . 1 . 2]" 1
171 1 40 ILE MD 1 40 ILE MG 3.000 . 3.500 1.941 1.895 2.014 . 0 0 "[ . 1 . 2]" 1
172 1 40 ILE QG 1 40 ILE MG 3.000 . 3.500 2.251 2.217 2.275 . 0 0 "[ . 1 . 2]" 1
173 1 41 ASP H 1 41 ASP QB 3.000 . 3.500 2.167 2.080 2.246 . 0 0 "[ . 1 . 2]" 1
174 1 42 ALA H 1 42 ALA HA 3.000 . 3.500 2.803 2.791 2.825 . 0 0 "[ . 1 . 2]" 1
175 1 42 ALA H 1 42 ALA MB 3.000 . 3.500 2.127 2.073 2.234 . 0 0 "[ . 1 . 2]" 1
176 1 43 TRP H 1 43 TRP HA 3.000 . 3.500 2.794 2.784 2.802 . 0 0 "[ . 1 . 2]" 1
177 1 43 TRP H 1 43 TRP HB3 3.000 . 3.500 2.586 2.576 2.598 . 0 0 "[ . 1 . 2]" 1
178 1 43 TRP H 1 43 TRP HB2 3.000 . 3.500 2.386 2.378 2.394 . 0 0 "[ . 1 . 2]" 1
179 1 43 TRP H 1 43 TRP HD1 4.000 . 4.750 4.783 4.778 4.787 0.037 8 0 "[ . 1 . 2]" 1
180 1 43 TRP H 1 43 TRP HE3 4.000 . 4.750 4.804 4.798 4.810 0.060 19 0 "[ . 1 . 2]" 1
181 1 43 TRP HA 1 43 TRP HB3 3.000 . 3.500 3.023 3.021 3.025 . 0 0 "[ . 1 . 2]" 1
182 1 43 TRP HA 1 43 TRP HB2 3.000 . 3.500 2.504 2.496 2.509 . 0 0 "[ . 1 . 2]" 1
183 1 43 TRP HA 1 43 TRP HD1 4.000 . 4.750 2.988 2.942 3.105 . 0 0 "[ . 1 . 2]" 1
184 1 43 TRP HA 1 43 TRP HE3 4.000 . 4.750 4.608 4.488 4.659 . 0 0 "[ . 1 . 2]" 1
185 1 43 TRP HB3 1 43 TRP HE3 3.000 . 3.500 2.424 2.406 2.469 . 0 0 "[ . 1 . 2]" 1
186 1 43 TRP HB2 1 43 TRP HD1 3.000 . 3.500 2.760 2.714 2.785 . 0 0 "[ . 1 . 2]" 1
187 1 43 TRP HB2 1 43 TRP HE3 4.000 . 4.750 3.984 3.962 4.027 . 0 0 "[ . 1 . 2]" 1
188 1 44 LEU H 1 44 LEU HA 3.000 . 3.500 2.787 2.775 2.812 . 0 0 "[ . 1 . 2]" 1
189 1 44 LEU H 1 44 LEU HG 3.000 . 3.500 2.319 2.093 2.536 . 0 0 "[ . 1 . 2]" 1
190 1 44 LEU H 1 44 LEU MD1 4.000 . 4.750 2.834 2.605 3.200 . 0 0 "[ . 1 . 2]" 1
191 1 44 LEU H 1 44 LEU MD2 5.000 . 6.000 3.804 3.536 3.976 . 0 0 "[ . 1 . 2]" 1
192 1 44 LEU H 1 44 LEU QB 3.000 . 3.500 2.466 2.408 2.494 . 0 0 "[ . 1 . 2]" 1
193 1 44 LEU HA 1 44 LEU HG 3.000 . 3.500 2.642 2.498 2.870 . 0 0 "[ . 1 . 2]" 1
194 1 44 LEU HA 1 44 LEU MD2 3.000 . 3.500 2.747 2.433 2.923 . 0 0 "[ . 1 . 2]" 1
195 1 44 LEU QB 1 44 LEU MD1 3.000 . 3.500 1.999 1.986 2.015 . 0 0 "[ . 1 . 2]" 1
196 1 44 LEU QB 1 44 LEU MD2 3.000 . 3.500 1.977 1.913 2.153 . 0 0 "[ . 1 . 2]" 1
197 1 45 ALA H 1 45 ALA HA 3.000 . 3.500 2.869 2.837 2.930 . 0 0 "[ . 1 . 2]" 1
198 1 45 ALA H 1 45 ALA MB 3.000 . 3.500 2.186 2.052 2.294 . 0 0 "[ . 1 . 2]" 1
199 1 3 ASN HA 1 4 ARG H 4.000 . 4.750 2.705 2.145 3.571 . 0 0 "[ . 1 . 2]" 1
200 1 4 ARG HA 1 5 ARG H 3.000 . 3.500 2.626 2.142 3.548 0.048 11 0 "[ . 1 . 2]" 1
201 1 5 ARG HA 1 6 VAL H 3.000 . 3.500 2.799 2.138 3.552 0.052 3 0 "[ . 1 . 2]" 1
202 1 6 VAL H 1 7 ILE H 5.000 . 6.000 4.474 4.322 4.616 . 0 0 "[ . 1 . 2]" 1
203 1 6 VAL HA 1 7 ILE H 2.500 . 2.800 2.259 2.163 2.370 . 0 0 "[ . 1 . 2]" 1
204 1 6 VAL HB 1 7 ILE H 4.000 . 4.750 3.794 3.282 4.199 . 0 0 "[ . 1 . 2]" 1
205 1 6 VAL MG1 1 7 ILE H 4.000 . 4.750 2.060 1.889 2.326 . 0 0 "[ . 1 . 2]" 1
206 1 6 VAL MG1 1 7 ILE HA 5.000 . 6.000 3.769 3.419 4.191 . 0 0 "[ . 1 . 2]" 1
207 1 6 VAL MG2 1 7 ILE H 5.000 . 6.000 3.914 3.748 4.069 . 0 0 "[ . 1 . 2]" 1
208 1 7 ILE H 1 8 ALA H 5.000 . 6.000 4.221 4.080 4.394 . 0 0 "[ . 1 . 2]" 1
209 1 7 ILE H 1 8 ALA MB 5.000 . 6.000 4.106 3.742 4.497 . 0 0 "[ . 1 . 2]" 1
210 1 7 ILE HA 1 8 ALA H 3.000 . 3.500 2.126 2.120 2.136 . 0 0 "[ . 1 . 2]" 1
211 1 7 ILE HA 1 8 ALA MB 5.000 . 6.000 4.017 3.981 4.063 . 0 0 "[ . 1 . 2]" 1
212 1 7 ILE MG 1 8 ALA H 4.000 . 4.750 2.825 2.682 3.001 . 0 0 "[ . 1 . 2]" 1
213 1 7 ILE QG 1 8 ALA H 4.000 . 4.750 4.272 4.259 4.288 . 0 0 "[ . 1 . 2]" 1
214 1 8 ALA H 1 9 MET H 5.000 . 6.000 4.287 4.223 4.339 . 0 0 "[ . 1 . 2]" 1
215 1 8 ALA HA 1 9 MET H 3.000 . 3.500 2.282 2.231 2.321 . 0 0 "[ . 1 . 2]" 1
216 1 8 ALA HA 1 9 MET HB2 5.000 . 6.000 4.353 4.296 4.511 . 0 0 "[ . 1 . 2]" 1
217 1 8 ALA MB 1 9 MET H 4.000 . 4.750 2.702 2.545 2.842 . 0 0 "[ . 1 . 2]" 1
218 1 9 MET H 1 10 PRO QD 5.000 . 6.000 4.381 4.367 4.399 . 0 0 "[ . 1 . 2]" 1
219 1 9 MET HB3 1 10 PRO QD 3.000 . 3.500 2.501 2.041 2.775 . 0 0 "[ . 1 . 2]" 1
220 1 9 MET HB2 1 10 PRO QD 4.000 . 4.750 3.746 3.537 3.926 . 0 0 "[ . 1 . 2]" 1
221 1 9 MET QG 1 10 PRO QD 5.000 . 6.000 2.462 1.926 3.347 . 0 0 "[ . 1 . 2]" 1
222 1 11 SER HA 1 12 VAL H 4.000 . 4.750 3.497 3.480 3.520 . 0 0 "[ . 1 . 2]" 1
223 1 11 SER QB 1 12 VAL H 5.000 . 6.000 3.030 2.729 3.550 . 0 0 "[ . 1 . 2]" 1
224 1 12 VAL H 1 13 ARG H 3.000 . 3.500 2.666 2.626 2.690 . 0 0 "[ . 1 . 2]" 1
225 1 12 VAL H 1 13 ARG QB 5.000 . 6.000 4.568 4.300 4.767 . 0 0 "[ . 1 . 2]" 1
226 1 12 VAL HA 1 13 ARG H 3.000 . 3.500 3.543 3.536 3.551 0.051 2 0 "[ . 1 . 2]" 1
227 1 12 VAL HB 1 13 ARG H 3.000 . 3.500 2.468 2.368 2.546 . 0 0 "[ . 1 . 2]" 1
228 1 12 VAL MG1 1 13 ARG H 5.000 . 6.000 3.394 3.251 3.467 . 0 0 "[ . 1 . 2]" 1
229 1 12 VAL MG2 1 13 ARG H 5.000 . 6.000 3.747 3.695 3.863 . 0 0 "[ . 1 . 2]" 1
230 1 13 ARG H 1 14 LYS H 3.000 . 3.500 2.677 2.667 2.683 . 0 0 "[ . 1 . 2]" 1
231 1 13 ARG HA 1 14 LYS H 4.000 . 4.750 3.474 3.465 3.482 . 0 0 "[ . 1 . 2]" 1
232 1 14 LYS H 1 15 TYR H 3.000 . 3.500 2.414 2.400 2.435 . 0 0 "[ . 1 . 2]" 1
233 1 14 LYS H 1 15 TYR HB3 5.000 . 6.000 4.502 4.491 4.526 . 0 0 "[ . 1 . 2]" 1
234 1 14 LYS H 1 15 TYR HB2 4.000 . 4.750 4.834 4.824 4.848 0.098 6 0 "[ . 1 . 2]" 1
235 1 14 LYS HA 1 15 TYR H 4.000 . 4.750 3.527 3.522 3.533 . 0 0 "[ . 1 . 2]" 1
236 1 14 LYS QB 1 15 TYR H 3.000 . 3.500 2.517 2.429 2.589 . 0 0 "[ . 1 . 2]" 1
237 1 15 TYR H 1 16 ALA H 3.000 . 3.500 2.721 2.711 2.740 . 0 0 "[ . 1 . 2]" 1
238 1 15 TYR HA 1 16 ALA H 4.000 . 4.750 3.556 3.551 3.563 . 0 0 "[ . 1 . 2]" 1
239 1 15 TYR HB3 1 16 ALA H 3.000 . 3.500 2.433 2.425 2.447 . 0 0 "[ . 1 . 2]" 1
240 1 15 TYR HB2 1 16 ALA H 4.000 . 4.750 3.818 3.808 3.831 . 0 0 "[ . 1 . 2]" 1
241 1 15 TYR QD 1 16 ALA H 4.000 . 4.750 3.512 3.489 3.544 . 0 0 "[ . 1 . 2]" 1
242 1 15 TYR QD 1 16 ALA HA 4.000 . 4.750 3.944 3.892 4.003 . 0 0 "[ . 1 . 2]" 1
243 1 15 TYR QE 1 16 ALA H 5.000 . 6.000 5.413 5.404 5.422 . 0 0 "[ . 1 . 2]" 1
244 1 16 ALA H 1 17 ARG H 3.000 . 3.500 2.563 2.544 2.581 . 0 0 "[ . 1 . 2]" 1
245 1 16 ALA HA 1 17 ARG H 4.000 . 4.750 3.532 3.527 3.538 . 0 0 "[ . 1 . 2]" 1
246 1 16 ALA MB 1 17 ARG H 4.000 . 4.750 2.464 2.444 2.483 . 0 0 "[ . 1 . 2]" 1
247 1 17 ARG H 1 18 GLU H 3.000 . 3.500 2.702 2.693 2.711 . 0 0 "[ . 1 . 2]" 1
248 1 17 ARG H 1 18 GLU HA 5.000 . 6.000 5.318 5.311 5.323 . 0 0 "[ . 1 . 2]" 1
249 1 17 ARG H 1 18 GLU HB2 5.000 . 6.000 4.754 4.739 4.772 . 0 0 "[ . 1 . 2]" 1
250 1 17 ARG HA 1 18 GLU H 4.000 . 4.750 3.497 3.493 3.500 . 0 0 "[ . 1 . 2]" 1
251 1 17 ARG QB 1 18 GLU H 3.000 . 3.500 2.786 2.760 2.825 . 0 0 "[ . 1 . 2]" 1
252 1 17 ARG QG 1 18 GLU H 4.000 . 4.750 3.761 3.615 4.040 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG QG 1 18 GLU HA 4.000 . 4.750 3.782 3.535 4.101 . 0 0 "[ . 1 . 2]" 1
254 1 18 GLU H 1 19 LYS H 3.000 . 3.500 2.341 2.327 2.362 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLU H 1 19 LYS HA 5.000 . 6.000 5.025 5.015 5.042 . 0 0 "[ . 1 . 2]" 1
256 1 18 GLU H 1 19 LYS QB 4.000 . 4.750 4.291 4.260 4.305 . 0 0 "[ . 1 . 2]" 1
257 1 18 GLU H 1 19 LYS QG 5.000 . 6.000 4.389 4.200 4.869 . 0 0 "[ . 1 . 2]" 1
258 1 18 GLU HA 1 19 LYS H 4.000 . 4.750 3.514 3.508 3.524 . 0 0 "[ . 1 . 2]" 1
259 1 18 GLU HB3 1 19 LYS H 3.000 . 3.500 3.502 3.441 3.513 0.013 2 0 "[ . 1 . 2]" 1
260 1 18 GLU HB2 1 19 LYS H 3.000 . 3.500 2.735 2.711 2.759 . 0 0 "[ . 1 . 2]" 1
261 1 18 GLU HB2 1 19 LYS QB 5.000 . 6.000 4.498 4.434 4.538 . 0 0 "[ . 1 . 2]" 1
262 1 18 GLU HB2 1 19 LYS QG 4.000 . 4.750 3.650 3.443 4.210 . 0 0 "[ . 1 . 2]" 1
263 1 18 GLU HB2 1 19 LYS QD 5.000 . 6.000 3.454 2.678 3.754 . 0 0 "[ . 1 . 2]" 1
264 1 18 GLU QG 1 19 LYS H 4.000 . 4.750 4.226 4.197 4.239 . 0 0 "[ . 1 . 2]" 1
265 1 19 LYS H 1 20 GLY H 3.000 . 3.500 2.982 2.866 3.024 . 0 0 "[ . 1 . 2]" 1
266 1 19 LYS HA 1 20 GLY H 4.000 . 4.750 3.028 2.992 3.109 . 0 0 "[ . 1 . 2]" 1
267 1 19 LYS QB 1 20 GLY H 4.000 . 4.750 3.740 3.656 3.767 . 0 0 "[ . 1 . 2]" 1
268 1 19 LYS QG 1 20 GLY H 5.000 . 6.000 4.936 4.851 5.123 . 0 0 "[ . 1 . 2]" 1
269 1 19 LYS QD 1 20 GLY H 5.000 . 6.000 4.303 4.127 4.375 . 0 0 "[ . 1 . 2]" 1
270 1 20 GLY H 1 21 VAL H 3.000 . 3.500 2.706 2.627 2.732 . 0 0 "[ . 1 . 2]" 1
271 1 20 GLY H 1 21 VAL HB 5.000 . 6.000 5.016 4.927 5.056 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLY H 1 21 VAL MG2 5.000 . 6.000 4.212 4.185 4.266 . 0 0 "[ . 1 . 2]" 1
273 1 20 GLY QA 1 21 VAL H 3.000 . 3.500 2.840 2.823 2.872 . 0 0 "[ . 1 . 2]" 1
274 1 20 GLY QA 1 21 VAL HA 4.000 . 4.750 4.074 4.064 4.085 . 0 0 "[ . 1 . 2]" 1
275 1 21 VAL HA 1 22 ASP H 2.500 . 2.800 2.177 2.166 2.191 . 0 0 "[ . 1 . 2]" 1
276 1 21 VAL HA 1 22 ASP HA 5.000 . 6.000 4.396 4.388 4.400 . 0 0 "[ . 1 . 2]" 1
277 1 21 VAL HA 1 22 ASP HB3 4.000 . 4.750 4.720 4.613 4.774 0.024 9 0 "[ . 1 . 2]" 1
278 1 21 VAL HA 1 22 ASP HB2 4.000 . 4.750 4.395 4.333 4.490 . 0 0 "[ . 1 . 2]" 1
279 1 21 VAL HB 1 22 ASP H 4.000 . 4.750 4.004 3.986 4.024 . 0 0 "[ . 1 . 2]" 1
280 1 21 VAL MG1 1 22 ASP H 4.000 . 4.750 2.438 2.409 2.463 . 0 0 "[ . 1 . 2]" 1
281 1 22 ASP H 1 23 ILE HA 5.000 . 6.000 5.005 4.981 5.021 . 0 0 "[ . 1 . 2]" 1
282 1 22 ASP HA 1 23 ILE H 2.500 . 2.800 2.155 2.138 2.162 . 0 0 "[ . 1 . 2]" 1
283 1 22 ASP HB3 1 23 ILE H 5.000 . 6.000 4.103 4.051 4.174 . 0 0 "[ . 1 . 2]" 1
284 1 22 ASP HB2 1 23 ILE H 4.000 . 4.750 4.325 4.267 4.357 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE H 1 24 ARG H 3.000 . 3.500 2.870 2.849 2.930 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE HA 1 24 ARG H 4.000 . 4.750 3.483 3.478 3.506 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE HA 1 24 ARG HA 5.000 . 6.000 4.812 4.776 4.823 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE HB 1 24 ARG H 3.000 . 3.500 3.000 2.982 3.020 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE MG 1 24 ARG H 4.000 . 4.750 3.864 3.814 3.899 . 0 0 "[ . 1 . 2]" 1
290 1 24 ARG H 1 25 LEU H 3.000 . 3.500 2.596 2.586 2.609 . 0 0 "[ . 1 . 2]" 1
291 1 24 ARG H 1 25 LEU HG 4.000 . 4.750 3.688 3.678 3.724 . 0 0 "[ . 1 . 2]" 1
292 1 24 ARG H 1 25 LEU MD1 5.000 . 6.000 5.027 5.022 5.031 . 0 0 "[ . 1 . 2]" 1
293 1 24 ARG H 1 25 LEU MD2 5.000 . 6.000 4.032 3.883 4.293 . 0 0 "[ . 1 . 2]" 1
294 1 24 ARG HA 1 25 LEU H 4.000 . 4.750 3.492 3.488 3.504 . 0 0 "[ . 1 . 2]" 1
295 1 24 ARG HA 1 25 LEU HG 5.000 . 6.000 5.102 5.090 5.131 . 0 0 "[ . 1 . 2]" 1
296 1 24 ARG HA 1 25 LEU MD2 5.000 . 6.000 4.339 4.205 4.607 . 0 0 "[ . 1 . 2]" 1
297 1 24 ARG QB 1 25 LEU H 4.000 . 4.750 2.853 2.613 3.490 . 0 0 "[ . 1 . 2]" 1
298 1 25 LEU H 1 26 VAL H 3.000 . 3.500 2.386 2.364 2.410 . 0 0 "[ . 1 . 2]" 1
299 1 25 LEU H 1 26 VAL MG2 5.000 . 6.000 3.334 3.113 3.429 . 0 0 "[ . 1 . 2]" 1
300 1 25 LEU HA 1 26 VAL H 4.000 . 4.750 3.343 3.332 3.369 . 0 0 "[ . 1 . 2]" 1
301 1 25 LEU HB3 1 26 VAL H 4.000 . 4.750 4.448 4.393 4.467 . 0 0 "[ . 1 . 2]" 1
302 1 25 LEU HB2 1 26 VAL H 4.000 . 4.750 3.491 3.391 3.528 . 0 0 "[ . 1 . 2]" 1
303 1 25 LEU HB2 1 26 VAL MG2 5.000 . 6.000 2.749 2.646 2.917 . 0 0 "[ . 1 . 2]" 1
304 1 25 LEU HG 1 26 VAL H 4.000 . 4.750 3.922 3.898 3.948 . 0 0 "[ . 1 . 2]" 1
305 1 25 LEU MD1 1 26 VAL H 5.000 . 6.000 4.889 4.782 4.926 . 0 0 "[ . 1 . 2]" 1
306 1 25 LEU MD1 1 26 VAL MG2 5.000 . 6.000 3.875 3.740 3.939 . 0 0 "[ . 1 . 2]" 1
307 1 25 LEU MD2 1 26 VAL H 5.000 . 6.000 4.333 4.280 4.423 . 0 0 "[ . 1 . 2]" 1
308 1 26 VAL H 1 27 GLN H 5.000 . 6.000 4.307 4.220 4.373 . 0 0 "[ . 1 . 2]" 1
309 1 26 VAL HA 1 27 GLN H 2.500 . 2.800 2.138 2.130 2.144 . 0 0 "[ . 1 . 2]" 1
310 1 26 VAL HA 1 27 GLN HA 5.000 . 6.000 4.390 4.374 4.410 . 0 0 "[ . 1 . 2]" 1
311 1 26 VAL HA 1 27 GLN QB 4.000 . 4.750 4.011 3.986 4.035 . 0 0 "[ . 1 . 2]" 1
312 1 26 VAL HA 1 27 GLN QG 5.000 . 6.000 5.348 5.301 5.357 . 0 0 "[ . 1 . 2]" 1
313 1 26 VAL HB 1 27 GLN H 4.000 . 4.750 4.095 4.008 4.196 . 0 0 "[ . 1 . 2]" 1
314 1 26 VAL MG1 1 27 GLN H 4.000 . 4.750 2.706 2.470 3.011 . 0 0 "[ . 1 . 2]" 1
315 1 26 VAL MG1 1 27 GLN QB 5.000 . 6.000 4.136 4.048 4.224 . 0 0 "[ . 1 . 2]" 1
316 1 26 VAL MG2 1 27 GLN H 5.000 . 6.000 4.288 4.244 4.336 . 0 0 "[ . 1 . 2]" 1
317 1 27 GLN H 1 28 GLY H 4.000 . 4.750 4.311 4.238 4.442 . 0 0 "[ . 1 . 2]" 1
318 1 27 GLN HA 1 28 GLY H 2.500 . 2.800 2.176 2.148 2.203 . 0 0 "[ . 1 . 2]" 1
319 1 27 GLN HA 1 28 GLY QA 4.000 . 4.750 3.936 3.909 3.958 . 0 0 "[ . 1 . 2]" 1
320 1 27 GLN QB 1 28 GLY H 4.000 . 4.750 3.801 3.656 3.856 . 0 0 "[ . 1 . 2]" 1
321 1 27 GLN QG 1 28 GLY H 4.000 . 4.750 3.564 3.294 3.731 . 0 0 "[ . 1 . 2]" 1
322 1 28 GLY H 1 29 THR H 4.000 . 4.750 4.582 4.545 4.606 . 0 0 "[ . 1 . 2]" 1
323 1 28 GLY QA 1 29 THR H 3.000 . 3.500 2.134 2.109 2.156 . 0 0 "[ . 1 . 2]" 1
324 1 28 GLY QA 1 29 THR MG 5.000 . 6.000 4.154 4.111 4.232 . 0 0 "[ . 1 . 2]" 1
325 1 29 THR H 1 30 GLY H 3.000 . 3.500 2.493 2.478 2.502 . 0 0 "[ . 1 . 2]" 1
326 1 29 THR H 1 30 GLY QA 4.000 . 4.750 3.935 3.921 3.948 . 0 0 "[ . 1 . 2]" 1
327 1 29 THR HA 1 30 GLY H 4.000 . 4.750 2.984 2.978 2.991 . 0 0 "[ . 1 . 2]" 1
328 1 29 THR HB 1 30 GLY H 4.000 . 4.750 4.253 4.249 4.260 . 0 0 "[ . 1 . 2]" 1
329 1 29 THR MG 1 30 GLY H 5.000 . 6.000 4.481 4.465 4.492 . 0 0 "[ . 1 . 2]" 1
330 1 30 GLY H 1 31 LYS H 4.000 . 4.750 4.402 4.184 4.530 . 0 0 "[ . 1 . 2]" 1
331 1 30 GLY QA 1 31 LYS H 4.000 . 4.750 2.123 2.091 2.197 . 0 0 "[ . 1 . 2]" 1
332 1 31 LYS HA 1 32 ASN H 4.000 . 4.750 3.537 3.507 3.559 . 0 0 "[ . 1 . 2]" 1
333 1 31 LYS QB 1 32 ASN QD 5.000 . 6.000 2.790 1.936 4.312 . 0 0 "[ . 1 . 2]" 1
334 1 31 LYS QG 1 32 ASN QD 5.000 . 6.000 3.352 1.900 4.761 . 0 0 "[ . 1 . 2]" 1
335 1 31 LYS QE 1 32 ASN QD 4.000 . 4.750 3.083 1.952 3.773 . 0 0 "[ . 1 . 2]" 1
336 1 32 ASN HA 1 33 GLY H 4.000 . 4.750 2.925 2.842 3.179 . 0 0 "[ . 1 . 2]" 1
337 1 32 ASN QB 1 33 GLY H 5.000 . 6.000 3.831 3.559 4.047 . 0 0 "[ . 1 . 2]" 1
338 1 33 GLY H 1 34 ARG H 3.000 . 3.500 2.295 2.152 2.458 . 0 0 "[ . 1 . 2]" 1
339 1 33 GLY H 1 34 ARG QB 4.000 . 4.750 4.075 3.929 4.233 . 0 0 "[ . 1 . 2]" 1
340 1 33 GLY QA 1 34 ARG H 3.000 . 3.500 2.854 2.824 2.923 . 0 0 "[ . 1 . 2]" 1
341 1 34 ARG H 1 35 VAL H 5.000 . 6.000 4.597 4.580 4.613 . 0 0 "[ . 1 . 2]" 1
342 1 34 ARG HA 1 35 VAL H 3.000 . 3.500 2.218 2.193 2.259 . 0 0 "[ . 1 . 2]" 1
343 1 34 ARG QB 1 35 VAL H 4.000 . 4.750 3.596 3.538 3.645 . 0 0 "[ . 1 . 2]" 1
344 1 34 ARG QG 1 35 VAL H 4.000 . 4.750 2.439 2.308 2.538 . 0 0 "[ . 1 . 2]" 1
345 1 35 VAL H 1 36 LEU H 5.000 . 6.000 4.539 4.492 4.567 . 0 0 "[ . 1 . 2]" 1
346 1 35 VAL H 1 36 LEU QD 5.000 . 6.000 4.461 4.459 4.463 . 0 0 "[ . 1 . 2]" 1
347 1 35 VAL HA 1 36 LEU H 3.000 . 3.500 2.135 2.111 2.152 . 0 0 "[ . 1 . 2]" 1
348 1 35 VAL HB 1 36 LEU H 5.000 . 6.000 4.215 4.125 4.315 . 0 0 "[ . 1 . 2]" 1
349 1 35 VAL MG1 1 36 LEU H 4.000 . 4.750 2.376 2.208 2.576 . 0 0 "[ . 1 . 2]" 1
350 1 35 VAL MG2 1 36 LEU H 5.000 . 6.000 3.717 3.637 3.763 . 0 0 "[ . 1 . 2]" 1
351 1 36 LEU H 1 37 LYS H 5.000 . 6.000 4.533 4.511 4.542 . 0 0 "[ . 1 . 2]" 1
352 1 36 LEU HA 1 37 LYS H 3.000 . 3.500 2.448 2.422 2.473 . 0 0 "[ . 1 . 2]" 1
353 1 36 LEU HA 1 37 LYS HA 5.000 . 6.000 4.308 4.305 4.313 . 0 0 "[ . 1 . 2]" 1
354 1 36 LEU HB3 1 37 LYS H 3.000 . 3.500 2.448 2.350 2.538 . 0 0 "[ . 1 . 2]" 1
355 1 36 LEU HB2 1 37 LYS H 4.000 . 4.750 3.681 3.612 3.727 . 0 0 "[ . 1 . 2]" 1
356 1 36 LEU HG 1 37 LYS H 5.000 . 6.000 4.982 4.929 5.045 . 0 0 "[ . 1 . 2]" 1
357 1 36 LEU QD 1 37 LYS H 4.000 . 4.750 3.175 3.115 3.285 . 0 0 "[ . 1 . 2]" 1
358 1 37 LYS H 1 38 GLU H 3.000 . 3.500 2.656 2.628 2.672 . 0 0 "[ . 1 . 2]" 1
359 1 37 LYS HA 1 38 GLU H 4.000 . 4.750 3.492 3.485 3.504 . 0 0 "[ . 1 . 2]" 1
360 1 37 LYS HB3 1 38 GLU H 3.000 . 3.500 2.803 2.748 2.836 . 0 0 "[ . 1 . 2]" 1
361 1 37 LYS HB2 1 38 GLU H 4.000 . 4.750 3.921 3.857 3.974 . 0 0 "[ . 1 . 2]" 1
362 1 37 LYS QG 1 38 GLU H 4.000 . 4.750 4.063 3.702 4.181 . 0 0 "[ . 1 . 2]" 1
363 1 38 GLU H 1 39 ASP H 3.000 . 3.500 2.533 2.519 2.550 . 0 0 "[ . 1 . 2]" 1
364 1 38 GLU HA 1 39 ASP H 4.000 . 4.750 3.507 3.502 3.517 . 0 0 "[ . 1 . 2]" 1
365 1 38 GLU QB 1 39 ASP H 3.000 . 3.500 2.752 2.606 3.087 . 0 0 "[ . 1 . 2]" 1
366 1 38 GLU QG 1 39 ASP H 4.000 . 4.750 3.618 2.665 4.083 . 0 0 "[ . 1 . 2]" 1
367 1 39 ASP HA 1 40 ILE H 3.000 . 3.500 3.532 3.528 3.535 0.035 9 0 "[ . 1 . 2]" 1
368 1 39 ASP HB3 1 40 ILE H 3.000 . 3.500 3.150 3.089 3.193 . 0 0 "[ . 1 . 2]" 1
369 1 39 ASP HB2 1 40 ILE H 3.000 . 3.500 2.601 2.561 2.636 . 0 0 "[ . 1 . 2]" 1
370 1 39 ASP HB2 1 40 ILE MD 5.000 . 6.000 3.654 3.520 3.783 . 0 0 "[ . 1 . 2]" 1
371 1 40 ILE H 1 41 ASP H 3.000 . 3.500 2.887 2.851 2.919 . 0 0 "[ . 1 . 2]" 1
372 1 40 ILE H 1 41 ASP HA 5.000 . 6.000 5.437 5.415 5.458 . 0 0 "[ . 1 . 2]" 1
373 1 40 ILE HA 1 41 ASP H 4.000 . 4.750 3.561 3.556 3.566 . 0 0 "[ . 1 . 2]" 1
374 1 40 ILE HB 1 41 ASP H 3.000 . 3.500 2.273 2.208 2.364 . 0 0 "[ . 1 . 2]" 1
375 1 40 ILE MG 1 41 ASP H 4.000 . 4.750 3.332 3.300 3.429 . 0 0 "[ . 1 . 2]" 1
376 1 40 ILE MD 1 41 ASP H 5.000 . 6.000 4.493 4.445 4.542 . 0 0 "[ . 1 . 2]" 1
377 1 40 ILE QG 1 41 ASP H 4.000 . 4.750 3.732 3.676 3.773 . 0 0 "[ . 1 . 2]" 1
378 1 41 ASP H 1 42 ALA H 3.000 . 3.500 2.763 2.713 2.816 . 0 0 "[ . 1 . 2]" 1
379 1 41 ASP HA 1 42 ALA H 4.000 . 4.750 3.548 3.530 3.558 . 0 0 "[ . 1 . 2]" 1
380 1 41 ASP QB 1 42 ALA H 3.000 . 3.500 2.486 2.399 2.590 . 0 0 "[ . 1 . 2]" 1
381 1 41 ASP QB 1 42 ALA MB 5.000 . 6.000 3.761 3.663 3.834 . 0 0 "[ . 1 . 2]" 1
382 1 42 ALA H 1 43 TRP H 3.000 . 3.500 2.672 2.615 2.708 . 0 0 "[ . 1 . 2]" 1
383 1 42 ALA H 1 43 TRP HB3 5.000 . 6.000 4.955 4.861 5.001 . 0 0 "[ . 1 . 2]" 1
384 1 42 ALA HA 1 43 TRP H 4.000 . 4.750 3.516 3.509 3.526 . 0 0 "[ . 1 . 2]" 1
385 1 42 ALA MB 1 43 TRP H 4.000 . 4.750 2.714 2.642 2.777 . 0 0 "[ . 1 . 2]" 1
386 1 42 ALA MB 1 43 TRP HB3 5.000 . 6.000 4.862 4.829 4.900 . 0 0 "[ . 1 . 2]" 1
387 1 43 TRP H 1 44 LEU H 3.000 . 3.500 2.809 2.769 2.843 . 0 0 "[ . 1 . 2]" 1
388 1 43 TRP H 1 44 LEU HA 5.000 . 6.000 5.375 5.347 5.403 . 0 0 "[ . 1 . 2]" 1
389 1 43 TRP H 1 44 LEU HG 5.000 . 6.000 4.851 4.560 5.127 . 0 0 "[ . 1 . 2]" 1
390 1 43 TRP H 1 44 LEU QB 5.000 . 6.000 4.710 4.666 4.768 . 0 0 "[ . 1 . 2]" 1
391 1 43 TRP HA 1 44 LEU H 4.000 . 4.750 3.549 3.542 3.553 . 0 0 "[ . 1 . 2]" 1
392 1 43 TRP HB3 1 44 LEU H 3.000 . 3.500 2.156 2.145 2.170 . 0 0 "[ . 1 . 2]" 1
393 1 43 TRP HB3 1 44 LEU HG 5.000 . 6.000 3.139 2.890 3.343 . 0 0 "[ . 1 . 2]" 1
394 1 43 TRP HB3 1 44 LEU MD2 5.000 . 6.000 4.552 4.093 4.829 . 0 0 "[ . 1 . 2]" 1
395 1 43 TRP HB2 1 44 LEU H 3.000 . 3.500 3.562 3.556 3.570 0.070 8 0 "[ . 1 . 2]" 1
396 1 43 TRP HE3 1 44 LEU H 4.000 . 4.750 2.801 2.717 2.902 . 0 0 "[ . 1 . 2]" 1
397 1 43 TRP HE3 1 44 LEU HA 3.000 . 3.500 2.885 2.624 3.062 . 0 0 "[ . 1 . 2]" 1
398 1 43 TRP HE3 1 44 LEU HG 3.000 . 3.500 1.863 1.811 1.902 . 0 0 "[ . 1 . 2]" 1
399 1 43 TRP HE3 1 44 LEU MD1 5.000 . 6.000 3.419 3.349 3.502 . 0 0 "[ . 1 . 2]" 1
400 1 43 TRP HE3 1 44 LEU MD2 4.000 . 4.750 2.797 2.171 3.138 . 0 0 "[ . 1 . 2]" 1
401 1 43 TRP HE3 1 44 LEU QB 4.000 . 4.750 3.829 3.727 3.879 . 0 0 "[ . 1 . 2]" 1
402 1 43 TRP HZ3 1 44 LEU HA 4.000 . 4.750 3.873 3.587 4.104 . 0 0 "[ . 1 . 2]" 1
403 1 43 TRP HZ3 1 44 LEU HG 5.000 . 6.000 3.392 3.148 3.637 . 0 0 "[ . 1 . 2]" 1
404 1 43 TRP HZ3 1 44 LEU MD1 5.000 . 6.000 4.457 4.288 4.532 . 0 0 "[ . 1 . 2]" 1
405 1 43 TRP HZ3 1 44 LEU MD2 4.000 . 4.750 2.452 1.920 2.775 . 0 0 "[ . 1 . 2]" 1
406 1 44 LEU H 1 45 ALA H 3.000 . 3.500 2.707 2.635 2.741 . 0 0 "[ . 1 . 2]" 1
407 1 44 LEU H 1 45 ALA MB 5.000 . 6.000 4.372 4.299 4.472 . 0 0 "[ . 1 . 2]" 1
408 1 44 LEU HA 1 45 ALA H 3.000 . 3.500 3.492 3.445 3.506 0.006 16 0 "[ . 1 . 2]" 1
409 1 44 LEU MD2 1 45 ALA H 5.000 . 6.000 4.968 4.883 5.028 . 0 0 "[ . 1 . 2]" 1
410 1 44 LEU QB 1 45 ALA H 3.000 . 3.500 2.764 2.689 2.977 . 0 0 "[ . 1 . 2]" 1
411 1 44 LEU QB 1 45 ALA MB 5.000 . 6.000 3.791 3.483 4.035 . 0 0 "[ . 1 . 2]" 1
412 1 45 ALA HA 1 46 GLY H 3.000 . 3.500 3.367 2.922 3.468 . 0 0 "[ . 1 . 2]" 1
413 1 46 GLY H 1 47 GLY H 3.000 . 3.500 2.625 1.961 3.300 . 0 0 "[ . 1 . 2]" 1
414 1 46 GLY QA 1 47 GLY H 4.000 . 4.750 2.694 2.313 2.841 . 0 0 "[ . 1 . 2]" 1
415 1 6 VAL MG1 1 8 ALA H 5.000 . 6.000 4.138 3.510 4.935 . 0 0 "[ . 1 . 2]" 1
416 1 6 VAL MG1 1 8 ALA MB 5.000 . 6.000 3.169 2.710 3.755 . 0 0 "[ . 1 . 2]" 1
417 1 12 VAL H 1 14 LYS H 5.000 . 6.000 3.904 3.833 3.970 . 0 0 "[ . 1 . 2]" 1
418 1 12 VAL HA 1 14 LYS H 4.000 . 4.750 3.897 3.829 3.960 . 0 0 "[ . 1 . 2]" 1
419 1 12 VAL MG2 1 14 LYS H 5.000 . 6.000 5.046 5.039 5.056 . 0 0 "[ . 1 . 2]" 1
420 1 14 LYS H 1 16 ALA H 4.000 . 4.750 4.065 4.002 4.125 . 0 0 "[ . 1 . 2]" 1
421 1 15 TYR HA 1 17 ARG H 5.000 . 6.000 4.585 4.524 4.622 . 0 0 "[ . 1 . 2]" 1
422 1 17 ARG H 1 19 LYS QB 5.000 . 6.000 5.133 5.098 5.166 . 0 0 "[ . 1 . 2]" 1
423 1 18 GLU H 1 20 GLY H 4.000 . 4.750 4.159 4.028 4.209 . 0 0 "[ . 1 . 2]" 1
424 1 18 GLU HA 1 20 GLY H 3.000 . 3.500 3.556 3.550 3.566 0.066 17 0 "[ . 1 . 2]" 1
425 1 19 LYS H 1 21 VAL H 4.000 . 4.750 3.398 3.369 3.440 . 0 0 "[ . 1 . 2]" 1
426 1 19 LYS QB 1 21 VAL H 4.000 . 4.750 3.100 3.003 3.175 . 0 0 "[ . 1 . 2]" 1
427 1 21 VAL MG1 1 23 ILE H 4.000 . 4.750 3.976 3.969 3.982 . 0 0 "[ . 1 . 2]" 1
428 1 21 VAL MG1 1 23 ILE HA 4.000 . 4.750 3.680 3.642 3.701 . 0 0 "[ . 1 . 2]" 1
429 1 22 ASP H 1 24 ARG H 4.000 . 4.750 4.804 4.793 4.814 0.064 18 0 "[ . 1 . 2]" 1
430 1 22 ASP HA 1 24 ARG H 4.000 . 4.750 3.786 3.769 3.828 . 0 0 "[ . 1 . 2]" 1
431 1 23 ILE H 1 25 LEU H 5.000 . 6.000 4.449 4.429 4.477 . 0 0 "[ . 1 . 2]" 1
432 1 23 ILE HA 1 25 LEU H 4.000 . 4.750 4.081 4.049 4.145 . 0 0 "[ . 1 . 2]" 1
433 1 23 ILE MG 1 25 LEU H 5.000 . 6.000 4.938 4.915 4.985 . 0 0 "[ . 1 . 2]" 1
434 1 24 ARG H 1 26 VAL H 5.000 . 6.000 3.742 3.719 3.758 . 0 0 "[ . 1 . 2]" 1
435 1 24 ARG HA 1 26 VAL H 5.000 . 6.000 3.835 3.771 3.866 . 0 0 "[ . 1 . 2]" 1
436 1 26 VAL MG1 1 28 GLY H 5.000 . 6.000 4.464 4.305 4.769 . 0 0 "[ . 1 . 2]" 1
437 1 26 VAL MG1 1 28 GLY QA 5.000 . 6.000 3.818 3.716 3.997 . 0 0 "[ . 1 . 2]" 1
438 1 27 GLN QB 1 29 THR MG 5.000 . 6.000 3.972 3.573 4.191 . 0 0 "[ . 1 . 2]" 1
439 1 27 GLN QG 1 29 THR MG 5.000 . 6.000 4.434 4.310 4.455 . 0 0 "[ . 1 . 2]" 1
440 1 28 GLY QA 1 30 GLY H 4.000 . 4.750 3.204 3.178 3.231 . 0 0 "[ . 1 . 2]" 1
441 1 28 GLY QA 1 30 GLY QA 5.000 . 6.000 4.616 4.551 4.683 . 0 0 "[ . 1 . 2]" 1
442 1 35 VAL MG1 1 37 LYS H 5.000 . 6.000 4.621 4.491 4.703 . 0 0 "[ . 1 . 2]" 1
443 1 36 LEU H 1 38 GLU H 5.000 . 6.000 4.700 4.617 4.770 . 0 0 "[ . 1 . 2]" 1
444 1 36 LEU HA 1 38 GLU H 5.000 . 6.000 4.175 4.132 4.251 . 0 0 "[ . 1 . 2]" 1
445 1 36 LEU HB3 1 38 GLU H 3.000 . 3.500 2.610 2.569 2.644 . 0 0 "[ . 1 . 2]" 1
446 1 36 LEU HB3 1 38 GLU QG 4.000 . 4.750 3.593 3.008 4.236 . 0 0 "[ . 1 . 2]" 1
447 1 36 LEU HB2 1 38 GLU H 3.000 . 3.500 3.128 3.070 3.174 . 0 0 "[ . 1 . 2]" 1
448 1 36 LEU HB2 1 38 GLU QG 4.000 . 4.750 3.760 3.276 4.231 . 0 0 "[ . 1 . 2]" 1
449 1 36 LEU HG 1 38 GLU H 5.000 . 6.000 5.283 5.239 5.325 . 0 0 "[ . 1 . 2]" 1
450 1 36 LEU QD 1 38 GLU H 5.000 . 6.000 3.821 3.744 3.867 . 0 0 "[ . 1 . 2]" 1
451 1 36 LEU QD 1 38 GLU QB 5.000 . 6.000 3.573 3.415 3.679 . 0 0 "[ . 1 . 2]" 1
452 1 36 LEU QD 1 38 GLU QG 5.000 . 6.000 3.590 3.224 3.968 . 0 0 "[ . 1 . 2]" 1
453 1 37 LYS H 1 39 ASP H 5.000 . 6.000 4.076 4.012 4.120 . 0 0 "[ . 1 . 2]" 1
454 1 37 LYS HA 1 39 ASP H 4.000 . 4.750 4.091 4.047 4.146 . 0 0 "[ . 1 . 2]" 1
455 1 37 LYS HA 1 39 ASP HB3 5.000 . 6.000 6.030 6.020 6.039 0.039 4 0 "[ . 1 . 2]" 1
456 1 38 GLU H 1 40 ILE H 4.000 . 4.750 4.178 4.146 4.205 . 0 0 "[ . 1 . 2]" 1
457 1 40 ILE H 1 42 ALA H 4.000 . 4.750 4.231 4.088 4.318 . 0 0 "[ . 1 . 2]" 1
458 1 40 ILE HA 1 42 ALA H 4.000 . 4.750 4.582 4.414 4.682 . 0 0 "[ . 1 . 2]" 1
459 1 41 ASP H 1 43 TRP H 4.000 . 4.750 4.105 4.063 4.147 . 0 0 "[ . 1 . 2]" 1
460 1 41 ASP HA 1 43 TRP H 5.000 . 6.000 4.257 4.191 4.329 . 0 0 "[ . 1 . 2]" 1
461 1 42 ALA H 1 44 LEU H 4.000 . 4.750 4.560 4.496 4.601 . 0 0 "[ . 1 . 2]" 1
462 1 42 ALA HA 1 44 LEU H 5.000 . 6.000 4.772 4.735 4.796 . 0 0 "[ . 1 . 2]" 1
463 1 43 TRP H 1 45 ALA H 4.000 . 4.750 3.875 3.773 3.943 . 0 0 "[ . 1 . 2]" 1
464 1 43 TRP H 1 45 ALA MB 5.000 . 6.000 4.615 4.401 4.998 . 0 0 "[ . 1 . 2]" 1
465 1 43 TRP HA 1 45 ALA H 4.000 . 4.750 4.170 3.940 4.311 . 0 0 "[ . 1 . 2]" 1
466 1 43 TRP HB3 1 45 ALA H 5.000 . 6.000 4.570 4.466 4.610 . 0 0 "[ . 1 . 2]" 1
467 1 45 ALA HA 1 47 GLY H 5.000 . 6.000 4.673 3.592 5.998 . 0 0 "[ . 1 . 2]" 1
468 1 45 ALA MB 1 47 GLY H 5.000 . 6.000 4.060 2.499 5.005 . 0 0 "[ . 1 . 2]" 1
469 1 9 MET H 1 12 VAL H 5.000 . 6.000 3.947 3.783 4.094 . 0 0 "[ . 1 . 2]" 1
470 1 9 MET H 1 12 VAL HB 4.000 . 4.750 2.567 2.285 2.720 . 0 0 "[ . 1 . 2]" 1
471 1 9 MET H 1 12 VAL MG2 5.000 . 6.000 2.516 2.256 2.832 . 0 0 "[ . 1 . 2]" 1
472 1 9 MET HB3 1 12 VAL H 5.000 . 6.000 2.597 2.524 2.735 . 0 0 "[ . 1 . 2]" 1
473 1 9 MET HB3 1 12 VAL MG1 5.000 . 6.000 5.003 4.979 5.027 . 0 0 "[ . 1 . 2]" 1
474 1 9 MET HB3 1 12 VAL MG2 5.000 . 6.000 2.589 2.489 2.925 . 0 0 "[ . 1 . 2]" 1
475 1 9 MET HB2 1 12 VAL H 4.000 . 4.750 3.025 2.636 3.144 . 0 0 "[ . 1 . 2]" 1
476 1 9 MET HB2 1 12 VAL MG2 4.000 . 4.750 1.848 1.814 1.962 . 0 0 "[ . 1 . 2]" 1
477 1 9 MET QG 1 12 VAL MG2 5.000 . 6.000 3.345 2.803 3.653 . 0 0 "[ . 1 . 2]" 1
478 1 10 PRO HA 1 13 ARG H 4.000 . 4.750 4.112 4.039 4.198 . 0 0 "[ . 1 . 2]" 1
479 1 10 PRO HA 1 13 ARG QD 4.000 . 4.750 3.361 2.183 4.235 . 0 0 "[ . 1 . 2]" 1
480 1 11 SER HA 1 14 LYS H 4.000 . 4.750 3.583 3.526 3.636 . 0 0 "[ . 1 . 2]" 1
481 1 12 VAL HA 1 15 TYR H 3.000 . 3.500 3.059 3.001 3.097 . 0 0 "[ . 1 . 2]" 1
482 1 12 VAL HA 1 15 TYR HB3 3.000 . 3.500 2.430 2.353 2.505 . 0 0 "[ . 1 . 2]" 1
483 1 12 VAL HA 1 15 TYR HB2 3.000 . 3.500 3.281 3.192 3.360 . 0 0 "[ . 1 . 2]" 1
484 1 12 VAL MG1 1 15 TYR HB2 5.000 . 6.000 4.594 4.457 4.745 . 0 0 "[ . 1 . 2]" 1
485 1 12 VAL MG1 1 15 TYR QD 4.000 . 4.750 3.323 3.113 3.526 . 0 0 "[ . 1 . 2]" 1
486 1 12 VAL MG2 1 15 TYR HB3 5.000 . 6.000 4.194 4.085 4.225 . 0 0 "[ . 1 . 2]" 1
487 1 12 VAL MG2 1 15 TYR QD 5.000 . 6.000 4.451 4.341 4.462 . 0 0 "[ . 1 . 2]" 1
488 1 13 ARG HA 1 16 ALA H 4.000 . 4.750 3.754 3.720 3.796 . 0 0 "[ . 1 . 2]" 1
489 1 13 ARG HA 1 16 ALA MB 4.000 . 4.750 3.110 3.014 3.218 . 0 0 "[ . 1 . 2]" 1
490 1 14 LYS H 1 17 ARG QB 4.000 . 4.750 4.293 4.275 4.305 . 0 0 "[ . 1 . 2]" 1
491 1 14 LYS HA 1 17 ARG H 4.000 . 4.750 3.592 3.537 3.630 . 0 0 "[ . 1 . 2]" 1
492 1 14 LYS HA 1 17 ARG QB 3.000 . 3.500 2.249 2.212 2.290 . 0 0 "[ . 1 . 2]" 1
493 1 14 LYS HA 1 17 ARG QD 5.000 . 6.000 4.284 2.876 5.163 . 0 0 "[ . 1 . 2]" 1
494 1 15 TYR HA 1 18 GLU H 4.000 . 4.750 3.474 3.451 3.493 . 0 0 "[ . 1 . 2]" 1
495 1 15 TYR HA 1 18 GLU HB3 5.000 . 6.000 4.269 4.231 4.313 . 0 0 "[ . 1 . 2]" 1
496 1 15 TYR HA 1 18 GLU HB2 4.000 . 4.750 2.672 2.640 2.711 . 0 0 "[ . 1 . 2]" 1
497 1 15 TYR QD 1 18 GLU HB3 5.000 . 6.000 4.970 4.922 5.025 . 0 0 "[ . 1 . 2]" 1
498 1 15 TYR QD 1 18 GLU HB2 4.000 . 4.750 3.961 3.922 3.989 . 0 0 "[ . 1 . 2]" 1
499 1 15 TYR QD 1 18 GLU QG 5.000 . 6.000 4.770 4.767 4.773 . 0 0 "[ . 1 . 2]" 1
500 1 15 TYR QE 1 18 GLU HB2 5.000 . 6.000 5.346 5.302 5.360 . 0 0 "[ . 1 . 2]" 1
501 1 16 ALA HA 1 19 LYS QB 3.000 . 3.500 2.373 2.342 2.416 . 0 0 "[ . 1 . 2]" 1
502 1 17 ARG HA 1 20 GLY H 4.000 . 4.750 4.423 4.242 4.506 . 0 0 "[ . 1 . 2]" 1
503 1 18 GLU H 1 21 VAL H 4.000 . 4.750 4.617 4.600 4.649 . 0 0 "[ . 1 . 2]" 1
504 1 22 ASP H 1 25 LEU MD1 5.000 . 6.000 2.376 2.255 2.439 . 0 0 "[ . 1 . 2]" 1
505 1 22 ASP HB3 1 25 LEU H 4.000 . 4.750 2.866 2.805 2.957 . 0 0 "[ . 1 . 2]" 1
506 1 22 ASP HB3 1 25 LEU HG 3.000 . 3.500 1.851 1.823 1.916 . 0 0 "[ . 1 . 2]" 1
507 1 22 ASP HB3 1 25 LEU MD1 4.000 . 4.750 2.652 2.552 2.718 . 0 0 "[ . 1 . 2]" 1
508 1 22 ASP HB2 1 25 LEU HG 4.000 . 4.750 3.439 3.377 3.547 . 0 0 "[ . 1 . 2]" 1
509 1 22 ASP HB2 1 25 LEU MD1 4.000 . 4.750 3.200 3.080 3.329 . 0 0 "[ . 1 . 2]" 1
510 1 23 ILE H 1 26 VAL MG2 5.000 . 6.000 3.847 3.798 3.922 . 0 0 "[ . 1 . 2]" 1
511 1 23 ILE HA 1 26 VAL H 4.000 . 4.750 3.086 3.053 3.120 . 0 0 "[ . 1 . 2]" 1
512 1 23 ILE HA 1 26 VAL HB 3.000 . 3.500 2.416 2.369 2.449 . 0 0 "[ . 1 . 2]" 1
513 1 23 ILE HA 1 26 VAL MG1 4.000 . 4.750 3.960 3.921 3.983 . 0 0 "[ . 1 . 2]" 1
514 1 23 ILE HA 1 26 VAL MG2 4.000 . 4.750 2.443 2.364 2.577 . 0 0 "[ . 1 . 2]" 1
515 1 23 ILE HB 1 26 VAL MG2 5.000 . 6.000 5.002 4.976 5.017 . 0 0 "[ . 1 . 2]" 1
516 1 23 ILE MG 1 26 VAL H 5.000 . 6.000 3.860 3.790 3.940 . 0 0 "[ . 1 . 2]" 1
517 1 23 ILE MG 1 26 VAL HB 5.000 . 6.000 3.225 3.103 3.316 . 0 0 "[ . 1 . 2]" 1
518 1 23 ILE MD 1 26 VAL MG2 5.000 . 6.000 3.219 2.984 3.310 . 0 0 "[ . 1 . 2]" 1
519 1 23 ILE QG 1 26 VAL MG2 5.000 . 6.000 4.453 4.434 4.463 . 0 0 "[ . 1 . 2]" 1
520 1 31 LYS H 1 34 ARG QB 5.000 . 6.000 4.859 4.645 5.086 . 0 0 "[ . 1 . 2]" 1
521 1 31 LYS QB 1 34 ARG H 5.000 . 6.000 3.876 3.505 4.236 . 0 0 "[ . 1 . 2]" 1
522 1 36 LEU H 1 39 ASP H 4.000 . 4.750 3.200 3.114 3.250 . 0 0 "[ . 1 . 2]" 1
523 1 36 LEU H 1 39 ASP HB3 4.000 . 4.750 3.328 3.308 3.350 . 0 0 "[ . 1 . 2]" 1
524 1 36 LEU H 1 39 ASP HB2 4.000 . 4.750 1.943 1.910 1.978 . 0 0 "[ . 1 . 2]" 1
525 1 36 LEU HB3 1 39 ASP H 3.000 . 3.500 3.553 3.544 3.567 0.067 12 0 "[ . 1 . 2]" 1
526 1 36 LEU HB2 1 39 ASP H 3.000 . 3.500 2.678 2.599 2.729 . 0 0 "[ . 1 . 2]" 1
527 1 37 LYS HA 1 40 ILE H 3.000 . 3.500 3.243 3.199 3.304 . 0 0 "[ . 1 . 2]" 1
528 1 37 LYS HA 1 40 ILE HB 4.000 . 4.750 2.923 2.857 3.015 . 0 0 "[ . 1 . 2]" 1
529 1 37 LYS HA 1 40 ILE MD 4.000 . 4.750 3.975 3.966 3.990 . 0 0 "[ . 1 . 2]" 1
530 1 37 LYS HA 1 40 ILE QG 3.000 . 3.500 2.298 2.282 2.311 . 0 0 "[ . 1 . 2]" 1
531 1 38 GLU HA 1 41 ASP H 4.000 . 4.750 3.615 3.570 3.667 . 0 0 "[ . 1 . 2]" 1
532 1 38 GLU HA 1 41 ASP QB 3.000 . 3.500 2.972 2.908 3.040 . 0 0 "[ . 1 . 2]" 1
533 1 39 ASP HA 1 42 ALA H 4.000 . 4.750 3.531 3.437 3.625 . 0 0 "[ . 1 . 2]" 1
534 1 39 ASP HA 1 42 ALA MB 4.000 . 4.750 2.570 2.369 2.789 . 0 0 "[ . 1 . 2]" 1
535 1 40 ILE H 1 43 TRP H 4.000 . 4.750 4.706 4.633 4.761 0.011 17 0 "[ . 1 . 2]" 1
536 1 40 ILE HA 1 43 TRP H 4.000 . 4.750 3.558 3.486 3.617 . 0 0 "[ . 1 . 2]" 1
537 1 40 ILE HA 1 43 TRP HB3 3.000 . 3.500 3.060 2.965 3.117 . 0 0 "[ . 1 . 2]" 1
538 1 40 ILE HA 1 43 TRP HB2 3.000 . 3.500 3.172 3.127 3.223 . 0 0 "[ . 1 . 2]" 1
539 1 40 ILE HA 1 43 TRP HD1 5.000 . 6.000 5.658 5.540 5.715 . 0 0 "[ . 1 . 2]" 1
540 1 40 ILE HA 1 43 TRP HE3 4.000 . 4.750 4.730 4.629 4.768 0.018 5 0 "[ . 1 . 2]" 1
541 1 40 ILE MG 1 43 TRP HB3 5.000 . 6.000 3.750 3.710 3.790 . 0 0 "[ . 1 . 2]" 1
542 1 40 ILE MD 1 43 TRP HB3 5.000 . 6.000 4.391 4.324 4.444 . 0 0 "[ . 1 . 2]" 1
543 1 41 ASP H 1 44 LEU MD1 5.000 . 6.000 4.067 3.863 4.440 . 0 0 "[ . 1 . 2]" 1
544 1 41 ASP HA 1 44 LEU H 4.000 . 4.750 3.695 3.621 3.740 . 0 0 "[ . 1 . 2]" 1
545 1 41 ASP HA 1 44 LEU HG 5.000 . 6.000 4.424 4.131 4.713 . 0 0 "[ . 1 . 2]" 1
546 1 41 ASP HA 1 44 LEU QB 4.000 . 4.750 3.176 3.090 3.270 . 0 0 "[ . 1 . 2]" 1
547 1 43 TRP HA 1 46 GLY H 4.000 . 4.750 3.573 3.300 4.377 . 0 0 "[ . 1 . 2]" 1
548 1 8 ALA MB 1 12 VAL H 5.000 . 6.000 4.328 4.081 4.611 . 0 0 "[ . 1 . 2]" 1
549 1 8 ALA MB 1 12 VAL HA 5.000 . 6.000 4.743 4.442 5.001 . 0 0 "[ . 1 . 2]" 1
550 1 8 ALA MB 1 12 VAL HB 4.000 . 4.750 2.379 2.129 2.717 . 0 0 "[ . 1 . 2]" 1
551 1 8 ALA MB 1 12 VAL MG1 4.000 . 4.750 2.338 1.929 2.811 . 0 0 "[ . 1 . 2]" 1
552 1 13 ARG HA 1 17 ARG H 5.000 . 6.000 3.672 3.631 3.712 . 0 0 "[ . 1 . 2]" 1
553 1 14 LYS HA 1 18 GLU H 4.000 . 4.750 4.134 4.070 4.226 . 0 0 "[ . 1 . 2]" 1
554 1 14 LYS QG 1 18 GLU HB2 4.000 . 4.750 4.146 4.058 4.219 . 0 0 "[ . 1 . 2]" 1
555 1 15 TYR QD 1 19 LYS QB 5.000 . 6.000 4.317 4.269 4.352 . 0 0 "[ . 1 . 2]" 1
556 1 15 TYR QD 1 19 LYS QG 4.000 . 4.750 3.119 3.033 3.275 . 0 0 "[ . 1 . 2]" 1
557 1 15 TYR QD 1 19 LYS QD 5.000 . 6.000 4.117 2.986 4.482 . 0 0 "[ . 1 . 2]" 1
558 1 15 TYR QD 1 19 LYS QE 5.000 . 6.000 3.178 2.564 4.780 . 0 0 "[ . 1 . 2]" 1
559 1 15 TYR QE 1 19 LYS QB 5.000 . 6.000 4.127 4.085 4.164 . 0 0 "[ . 1 . 2]" 1
560 1 15 TYR QE 1 19 LYS QG 3.000 . 3.500 2.768 2.725 2.784 . 0 0 "[ . 1 . 2]" 1
561 1 15 TYR QE 1 19 LYS QD 4.000 . 4.750 3.536 2.540 3.788 . 0 0 "[ . 1 . 2]" 1
562 1 15 TYR QE 1 19 LYS QE 4.000 . 4.750 2.267 1.863 3.703 . 0 0 "[ . 1 . 2]" 1
563 1 16 ALA HA 1 20 GLY H 5.000 . 6.000 4.983 4.828 5.046 . 0 0 "[ . 1 . 2]" 1
564 1 17 ARG HA 1 21 VAL H 4.000 . 4.750 4.006 3.939 4.088 . 0 0 "[ . 1 . 2]" 1
565 1 21 VAL HA 1 25 LEU HG 4.000 . 4.750 4.790 4.784 4.807 0.057 9 0 "[ . 1 . 2]" 1
566 1 22 ASP H 1 26 VAL MG2 5.000 . 6.000 3.276 3.237 3.305 . 0 0 "[ . 1 . 2]" 1
567 1 30 GLY H 1 34 ARG H 5.000 . 6.000 2.671 2.402 3.168 . 0 0 "[ . 1 . 2]" 1
568 1 30 GLY H 1 34 ARG QB 4.000 . 4.750 3.420 3.163 3.769 . 0 0 "[ . 1 . 2]" 1
569 1 30 GLY H 1 34 ARG QG 5.000 . 6.000 4.561 4.303 4.929 . 0 0 "[ . 1 . 2]" 1
570 1 30 GLY QA 1 34 ARG QB 4.000 . 4.750 2.782 2.166 3.417 . 0 0 "[ . 1 . 2]" 1
571 1 30 GLY QA 1 34 ARG QD 5.000 . 6.000 4.416 4.030 4.769 . 0 0 "[ . 1 . 2]" 1
572 1 35 VAL MG1 1 39 ASP HB3 4.000 . 4.750 2.311 2.111 2.594 . 0 0 "[ . 1 . 2]" 1
573 1 35 VAL MG1 1 39 ASP HB2 4.000 . 4.750 1.967 1.890 2.168 . 0 0 "[ . 1 . 2]" 1
574 1 35 VAL MG2 1 39 ASP HB3 5.000 . 6.000 3.104 2.930 3.268 . 0 0 "[ . 1 . 2]" 1
575 1 37 LYS HA 1 41 ASP H 4.000 . 4.750 4.129 4.076 4.172 . 0 0 "[ . 1 . 2]" 1
576 1 38 GLU HA 1 42 ALA H 4.000 . 4.750 4.097 3.927 4.190 . 0 0 "[ . 1 . 2]" 1
577 1 39 ASP HA 1 43 TRP H 5.000 . 6.000 4.163 3.989 4.259 . 0 0 "[ . 1 . 2]" 1
578 1 40 ILE HA 1 44 LEU H 4.000 . 4.750 4.370 4.255 4.436 . 0 0 "[ . 1 . 2]" 1
579 1 40 ILE MG 1 44 LEU QB 5.000 . 6.000 4.449 4.298 4.468 . 0 0 "[ . 1 . 2]" 1
580 1 41 ASP HA 1 45 ALA H 5.000 . 6.000 4.418 4.191 4.617 . 0 0 "[ . 1 . 2]" 1
581 1 43 TRP HA 1 47 GLY H 5.000 . 6.000 4.457 2.175 5.774 . 0 0 "[ . 1 . 2]" 1
582 1 6 VAL MG1 1 23 ILE QG 4.000 . 4.750 2.755 2.007 3.534 . 0 0 "[ . 1 . 2]" 1
583 1 6 VAL MG2 1 23 ILE H 4.000 . 4.750 3.963 3.949 3.970 . 0 0 "[ . 1 . 2]" 1
584 1 6 VAL MG1 1 24 ARG HA 5.000 . 6.000 3.714 2.413 4.841 . 0 0 "[ . 1 . 2]" 1
585 1 6 VAL MG2 1 24 ARG HA 4.000 . 4.750 3.472 2.955 3.958 . 0 0 "[ . 1 . 2]" 1
586 1 6 VAL MG1 1 35 VAL H 5.000 . 6.000 4.893 4.653 5.015 . 0 0 "[ . 1 . 2]" 1
587 1 6 VAL MG1 1 35 VAL MG2 5.000 . 6.000 3.916 3.573 4.180 . 0 0 "[ . 1 . 2]" 1
588 1 7 ILE MG 1 32 ASN QB 5.000 . 6.000 3.820 3.398 4.418 . 0 0 "[ . 1 . 2]" 1
589 1 7 ILE MG 1 33 GLY H 5.000 . 6.000 4.735 4.443 4.979 . 0 0 "[ . 1 . 2]" 1
590 1 7 ILE HB 1 34 ARG H 5.000 . 6.000 4.931 4.586 5.214 . 0 0 "[ . 1 . 2]" 1
591 1 7 ILE HB 1 34 ARG HA 3.000 . 3.500 2.597 2.282 2.793 . 0 0 "[ . 1 . 2]" 1
592 1 7 ILE MG 1 34 ARG QD 4.000 . 4.750 3.134 1.895 3.528 . 0 0 "[ . 1 . 2]" 1
593 1 7 ILE QG 1 34 ARG HA 4.000 . 4.750 4.242 4.233 4.269 . 0 0 "[ . 1 . 2]" 1
594 1 7 ILE H 1 35 VAL H 5.000 . 6.000 4.809 4.449 5.268 . 0 0 "[ . 1 . 2]" 1
595 1 7 ILE H 1 35 VAL MG2 5.000 . 6.000 4.469 3.930 5.000 . 0 0 "[ . 1 . 2]" 1
596 1 7 ILE HB 1 35 VAL H 4.000 . 4.750 3.664 3.519 3.837 . 0 0 "[ . 1 . 2]" 1
597 1 8 ALA MB 1 13 ARG H 5.000 . 6.000 2.992 2.628 3.314 . 0 0 "[ . 1 . 2]" 1
598 1 8 ALA MB 1 13 ARG HA 5.000 . 6.000 3.283 3.058 3.436 . 0 0 "[ . 1 . 2]" 1
599 1 8 ALA MB 1 13 ARG QG 4.000 . 4.750 1.886 1.727 2.085 0.073 3 0 "[ . 1 . 2]" 1
600 1 8 ALA MB 1 13 ARG QD 5.000 . 6.000 2.815 1.930 3.636 . 0 0 "[ . 1 . 2]" 1
601 1 8 ALA MB 1 23 ILE MG 5.000 . 6.000 1.970 1.826 2.335 . 0 0 "[ . 1 . 2]" 1
602 1 8 ALA MB 1 23 ILE MD 4.000 . 4.750 1.861 1.805 1.929 . 0 0 "[ . 1 . 2]" 1
603 1 8 ALA MB 1 23 ILE QG 4.000 . 4.750 1.929 1.833 2.140 . 0 0 "[ . 1 . 2]" 1
604 1 8 ALA HA 1 35 VAL H 5.000 . 6.000 2.452 2.247 2.777 . 0 0 "[ . 1 . 2]" 1
605 1 8 ALA MB 1 35 VAL H 5.000 . 6.000 3.049 2.948 3.131 . 0 0 "[ . 1 . 2]" 1
606 1 8 ALA MB 1 35 VAL HB 3.000 . 3.500 2.077 1.912 2.249 . 0 0 "[ . 1 . 2]" 1
607 1 9 MET H 1 36 LEU HA 5.000 . 6.000 3.996 3.796 4.200 . 0 0 "[ . 1 . 2]" 1
608 1 9 MET H 1 36 LEU QD 5.000 . 6.000 3.619 3.396 3.841 . 0 0 "[ . 1 . 2]" 1
609 1 12 VAL MG1 1 17 ARG H 5.000 . 6.000 5.040 5.026 5.054 . 0 0 "[ . 1 . 2]" 1
610 1 12 VAL MG2 1 23 ILE MD 5.000 . 6.000 4.173 4.166 4.185 . 0 0 "[ . 1 . 2]" 1
611 1 12 VAL MG2 1 34 ARG QG 5.000 . 6.000 4.048 3.924 4.444 . 0 0 "[ . 1 . 2]" 1
612 1 12 VAL MG2 1 37 LYS H 4.000 . 4.750 2.171 2.091 2.334 . 0 0 "[ . 1 . 2]" 1
613 1 12 VAL MG2 1 37 LYS HB2 4.000 . 4.750 2.718 2.611 2.874 . 0 0 "[ . 1 . 2]" 1
614 1 12 VAL MG2 1 38 GLU H 5.000 . 6.000 4.360 4.298 4.512 . 0 0 "[ . 1 . 2]" 1
615 1 12 VAL MG1 1 39 ASP HB2 5.000 . 6.000 3.898 3.820 4.029 . 0 0 "[ . 1 . 2]" 1
616 1 12 VAL MG1 1 40 ILE H 4.000 . 4.750 3.536 3.444 3.695 . 0 0 "[ . 1 . 2]" 1
617 1 12 VAL MG2 1 40 ILE MD 5.000 . 6.000 4.114 4.062 4.167 . 0 0 "[ . 1 . 2]" 1
618 1 13 ARG H 1 23 ILE MD 5.000 . 6.000 3.793 3.683 3.968 . 0 0 "[ . 1 . 2]" 1
619 1 13 ARG HA 1 23 ILE MG 5.000 . 6.000 5.018 5.009 5.025 . 0 0 "[ . 1 . 2]" 1
620 1 13 ARG HA 1 23 ILE MD 4.000 . 4.750 2.666 2.370 2.821 . 0 0 "[ . 1 . 2]" 1
621 1 13 ARG HA 1 40 ILE MD 5.000 . 6.000 4.129 4.070 4.207 . 0 0 "[ . 1 . 2]" 1
622 1 15 TYR QD 1 37 LYS HA 3.000 . 3.500 2.694 2.599 2.802 . 0 0 "[ . 1 . 2]" 1
623 1 15 TYR QD 1 37 LYS HB3 5.000 . 6.000 4.962 4.875 5.053 . 0 0 "[ . 1 . 2]" 1
624 1 15 TYR QD 1 37 LYS HB2 5.000 . 6.000 4.250 4.034 4.333 . 0 0 "[ . 1 . 2]" 1
625 1 15 TYR QD 1 37 LYS QG 3.000 . 3.500 2.660 2.602 2.743 . 0 0 "[ . 1 . 2]" 1
626 1 15 TYR QD 1 37 LYS QD 5.000 . 6.000 4.055 2.771 4.618 . 0 0 "[ . 1 . 2]" 1
627 1 15 TYR QD 1 37 LYS QE 5.000 . 6.000 3.339 2.417 4.133 . 0 0 "[ . 1 . 2]" 1
628 1 15 TYR QE 1 37 LYS HA 4.000 . 4.750 3.817 3.740 3.860 . 0 0 "[ . 1 . 2]" 1
629 1 15 TYR QE 1 37 LYS HB3 5.000 . 6.000 5.318 5.218 5.355 . 0 0 "[ . 1 . 2]" 1
630 1 15 TYR QE 1 37 LYS HB2 5.000 . 6.000 5.313 5.120 5.352 . 0 0 "[ . 1 . 2]" 1
631 1 15 TYR QE 1 37 LYS QG 3.000 . 3.500 2.794 2.789 2.797 . 0 0 "[ . 1 . 2]" 1
632 1 15 TYR QE 1 37 LYS QD 5.000 . 6.000 4.204 3.882 4.443 . 0 0 "[ . 1 . 2]" 1
633 1 15 TYR QE 1 37 LYS QE 4.000 . 4.750 3.075 2.768 3.509 . 0 0 "[ . 1 . 2]" 1
634 1 15 TYR QD 1 40 ILE H 4.000 . 4.750 4.185 4.136 4.231 . 0 0 "[ . 1 . 2]" 1
635 1 15 TYR QD 1 40 ILE HA 5.000 . 6.000 4.577 4.555 4.603 . 0 0 "[ . 1 . 2]" 1
636 1 15 TYR QD 1 40 ILE HB 3.000 . 3.500 2.017 1.990 2.048 . 0 0 "[ . 1 . 2]" 1
637 1 15 TYR QD 1 40 ILE MG 3.000 . 3.500 2.144 2.091 2.200 . 0 0 "[ . 1 . 2]" 1
638 1 15 TYR QD 1 40 ILE MD 4.000 . 4.750 3.547 3.537 3.555 . 0 0 "[ . 1 . 2]" 1
639 1 15 TYR QD 1 40 ILE QG 3.000 . 3.500 1.934 1.903 1.963 . 0 0 "[ . 1 . 2]" 1
640 1 15 TYR QE 1 40 ILE H 4.000 . 4.750 4.207 4.178 4.234 . 0 0 "[ . 1 . 2]" 1
641 1 15 TYR QE 1 40 ILE HA 5.000 . 6.000 4.358 4.329 4.379 . 0 0 "[ . 1 . 2]" 1
642 1 15 TYR QE 1 40 ILE HB 3.000 . 3.500 1.774 1.748 1.819 0.052 18 0 "[ . 1 . 2]" 1
643 1 15 TYR QE 1 40 ILE MG 4.000 . 4.750 2.352 2.258 2.416 . 0 0 "[ . 1 . 2]" 1
644 1 15 TYR QE 1 40 ILE MD 5.000 . 6.000 4.486 4.479 4.494 . 0 0 "[ . 1 . 2]" 1
645 1 15 TYR QE 1 40 ILE QG 4.000 . 4.750 3.524 3.489 3.569 . 0 0 "[ . 1 . 2]" 1
646 1 15 TYR QD 1 41 ASP H 5.000 . 6.000 4.078 4.021 4.160 . 0 0 "[ . 1 . 2]" 1
647 1 15 TYR QD 1 41 ASP HA 5.000 . 6.000 5.379 5.369 5.391 . 0 0 "[ . 1 . 2]" 1
648 1 15 TYR QE 1 41 ASP H 4.000 . 4.750 2.445 2.393 2.581 . 0 0 "[ . 1 . 2]" 1
649 1 15 TYR QE 1 41 ASP HA 5.000 . 6.000 3.193 3.157 3.221 . 0 0 "[ . 1 . 2]" 1
650 1 16 ALA H 1 21 VAL HB 5.000 . 6.000 4.502 4.478 4.538 . 0 0 "[ . 1 . 2]" 1
651 1 16 ALA H 1 21 VAL MG1 5.000 . 6.000 5.014 5.007 5.021 . 0 0 "[ . 1 . 2]" 1
652 1 16 ALA HA 1 21 VAL H 4.000 . 4.750 3.293 3.217 3.361 . 0 0 "[ . 1 . 2]" 1
653 1 16 ALA HA 1 21 VAL MG1 5.000 . 6.000 3.392 3.377 3.405 . 0 0 "[ . 1 . 2]" 1
654 1 16 ALA MB 1 21 VAL HA 5.000 . 6.000 4.028 4.007 4.056 . 0 0 "[ . 1 . 2]" 1
655 1 16 ALA MB 1 21 VAL MG1 5.000 . 6.000 2.067 2.030 2.097 . 0 0 "[ . 1 . 2]" 1
656 1 16 ALA MB 1 22 ASP H 4.000 . 4.750 3.975 3.969 3.982 . 0 0 "[ . 1 . 2]" 1
657 1 16 ALA H 1 23 ILE MD 5.000 . 6.000 3.978 3.900 4.050 . 0 0 "[ . 1 . 2]" 1
658 1 16 ALA HA 1 23 ILE MD 5.000 . 6.000 4.670 4.575 4.757 . 0 0 "[ . 1 . 2]" 1
659 1 16 ALA MB 1 23 ILE H 4.000 . 4.750 3.316 3.249 3.376 . 0 0 "[ . 1 . 2]" 1
660 1 16 ALA MB 1 23 ILE MD 4.000 . 4.750 2.204 2.099 2.308 . 0 0 "[ . 1 . 2]" 1
661 1 16 ALA MB 1 26 VAL MG2 5.000 . 6.000 3.153 3.021 3.223 . 0 0 "[ . 1 . 2]" 1
662 1 16 ALA H 1 40 ILE MD 5.000 . 6.000 3.414 3.381 3.456 . 0 0 "[ . 1 . 2]" 1
663 1 16 ALA HA 1 40 ILE MG 3.000 . 3.500 1.940 1.912 1.957 . 0 0 "[ . 1 . 2]" 1
664 1 16 ALA HA 1 40 ILE MD 4.000 . 4.750 3.137 3.066 3.172 . 0 0 "[ . 1 . 2]" 1
665 1 16 ALA MB 1 40 ILE MD 4.000 . 4.750 1.696 1.678 1.722 0.122 11 0 "[ . 1 . 2]" 1
666 1 16 ALA HA 1 44 LEU MD2 5.000 . 6.000 5.013 5.003 5.020 . 0 0 "[ . 1 . 2]" 1
667 1 17 ARG H 1 40 ILE MG 5.000 . 6.000 4.587 4.548 4.631 . 0 0 "[ . 1 . 2]" 1
668 1 17 ARG H 1 40 ILE MD 5.000 . 6.000 4.707 4.668 4.760 . 0 0 "[ . 1 . 2]" 1
669 1 19 LYS H 1 40 ILE MG 4.000 . 4.750 4.007 3.999 4.019 . 0 0 "[ . 1 . 2]" 1
670 1 19 LYS QB 1 44 LEU MD2 5.000 . 6.000 2.132 1.913 2.616 . 0 0 "[ . 1 . 2]" 1
671 1 21 VAL HA 1 26 VAL MG2 5.000 . 6.000 4.041 4.013 4.075 . 0 0 "[ . 1 . 2]" 1
672 1 21 VAL MG1 1 26 VAL H 5.000 . 6.000 4.240 4.175 4.265 . 0 0 "[ . 1 . 2]" 1
673 1 21 VAL MG1 1 26 VAL MG1 5.000 . 6.000 3.144 3.021 3.197 . 0 0 "[ . 1 . 2]" 1
674 1 21 VAL MG2 1 26 VAL MG2 5.000 . 6.000 3.531 3.499 3.596 . 0 0 "[ . 1 . 2]" 1
675 1 21 VAL MG1 1 40 ILE MD 5.000 . 6.000 2.303 2.200 2.387 . 0 0 "[ . 1 . 2]" 1
676 1 21 VAL HA 1 43 TRP HE1 5.000 . 6.000 6.067 6.049 6.082 0.082 11 0 "[ . 1 . 2]" 1
677 1 21 VAL HA 1 43 TRP HE3 4.000 . 4.750 3.738 3.640 4.044 . 0 0 "[ . 1 . 2]" 1
678 1 21 VAL HA 1 43 TRP HZ3 5.000 . 6.000 2.765 2.662 3.065 . 0 0 "[ . 1 . 2]" 1
679 1 21 VAL HA 1 43 TRP HH2 5.000 . 6.000 3.362 3.320 3.420 . 0 0 "[ . 1 . 2]" 1
680 1 21 VAL MG1 1 43 TRP HB3 5.000 . 6.000 2.697 2.589 2.775 . 0 0 "[ . 1 . 2]" 1
681 1 21 VAL MG1 1 43 TRP HB2 5.000 . 6.000 3.320 3.251 3.426 . 0 0 "[ . 1 . 2]" 1
682 1 21 VAL MG1 1 43 TRP HE3 5.000 . 6.000 2.612 2.571 2.767 . 0 0 "[ . 1 . 2]" 1
683 1 21 VAL MG1 1 43 TRP HZ3 5.000 . 6.000 3.445 3.406 3.508 . 0 0 "[ . 1 . 2]" 1
684 1 21 VAL MG1 1 43 TRP HH2 5.000 . 6.000 4.188 4.106 4.243 . 0 0 "[ . 1 . 2]" 1
685 1 21 VAL MG2 1 43 TRP H 5.000 . 6.000 4.787 4.730 4.963 . 0 0 "[ . 1 . 2]" 1
686 1 21 VAL MG2 1 43 TRP HE3 4.000 . 4.750 1.828 1.814 1.881 . 0 0 "[ . 1 . 2]" 1
687 1 21 VAL MG2 1 43 TRP HZ3 4.000 . 4.750 1.962 1.935 1.982 . 0 0 "[ . 1 . 2]" 1
688 1 21 VAL MG2 1 43 TRP HH2 5.000 . 6.000 3.946 3.806 3.992 . 0 0 "[ . 1 . 2]" 1
689 1 21 VAL H 1 44 LEU MD1 5.000 . 6.000 4.483 4.386 4.554 . 0 0 "[ . 1 . 2]" 1
690 1 21 VAL HA 1 44 LEU MD1 5.000 . 6.000 5.011 5.003 5.027 . 0 0 "[ . 1 . 2]" 1
691 1 21 VAL HA 1 44 LEU MD2 5.000 . 6.000 4.061 3.730 4.319 . 0 0 "[ . 1 . 2]" 1
692 1 21 VAL MG1 1 44 LEU MD1 5.000 . 6.000 3.615 3.463 3.841 . 0 0 "[ . 1 . 2]" 1
693 1 21 VAL MG1 1 44 LEU MD2 5.000 . 6.000 4.009 3.686 4.169 . 0 0 "[ . 1 . 2]" 1
694 1 21 VAL MG2 1 44 LEU H 5.000 . 6.000 3.220 3.163 3.357 . 0 0 "[ . 1 . 2]" 1
695 1 21 VAL MG2 1 44 LEU HA 5.000 . 6.000 3.736 3.621 3.922 . 0 0 "[ . 1 . 2]" 1
696 1 21 VAL MG2 1 44 LEU HG 4.000 . 4.750 1.812 1.780 1.855 0.020 17 0 "[ . 1 . 2]" 1
697 1 21 VAL MG2 1 44 LEU MD1 4.000 . 4.750 1.892 1.869 1.952 . 0 0 "[ . 1 . 2]" 1
698 1 21 VAL MG2 1 44 LEU MD2 4.000 . 4.750 1.933 1.750 2.063 0.050 12 0 "[ . 1 . 2]" 1
699 1 22 ASP H 1 43 TRP HZ2 5.000 . 6.000 4.373 4.347 4.425 . 0 0 "[ . 1 . 2]" 1
700 1 23 ILE HA 1 35 VAL MG2 5.000 . 6.000 2.724 2.480 2.938 . 0 0 "[ . 1 . 2]" 1
701 1 23 ILE MD 1 35 VAL HB 4.000 . 4.750 2.246 1.959 2.519 . 0 0 "[ . 1 . 2]" 1
702 1 23 ILE QG 1 35 VAL MG2 5.000 . 6.000 4.024 3.813 4.230 . 0 0 "[ . 1 . 2]" 1
703 1 23 ILE H 1 40 ILE MD 5.000 . 6.000 4.330 4.275 4.378 . 0 0 "[ . 1 . 2]" 1
704 1 23 ILE HA 1 40 ILE MD 5.000 . 6.000 3.446 3.390 3.500 . 0 0 "[ . 1 . 2]" 1
705 1 23 ILE QG 1 40 ILE MD 5.000 . 6.000 3.739 3.624 3.827 . 0 0 "[ . 1 . 2]" 1
706 1 25 LEU HB3 1 43 TRP HD1 4.000 . 4.750 4.770 4.757 4.776 0.026 20 0 "[ . 1 . 2]" 1
707 1 25 LEU HB3 1 43 TRP HE1 4.000 . 4.750 2.360 2.318 2.377 . 0 0 "[ . 1 . 2]" 1
708 1 25 LEU HB3 1 43 TRP HZ2 4.000 . 4.750 2.451 2.382 2.469 . 0 0 "[ . 1 . 2]" 1
709 1 25 LEU HB3 1 43 TRP HH2 4.000 . 4.750 4.750 4.686 4.760 0.010 2 0 "[ . 1 . 2]" 1
710 1 25 LEU HB2 1 43 TRP HE1 4.000 . 4.750 2.260 2.208 2.307 . 0 0 "[ . 1 . 2]" 1
711 1 25 LEU HB2 1 43 TRP HZ2 4.000 . 4.750 2.515 2.495 2.553 . 0 0 "[ . 1 . 2]" 1
712 1 25 LEU HB2 1 43 TRP HH2 5.000 . 6.000 4.295 4.273 4.353 . 0 0 "[ . 1 . 2]" 1
713 1 25 LEU HG 1 43 TRP HZ2 5.000 . 6.000 3.955 3.924 4.043 . 0 0 "[ . 1 . 2]" 1
714 1 25 LEU MD1 1 43 TRP HE1 5.000 . 6.000 3.671 3.657 3.693 . 0 0 "[ . 1 . 2]" 1
715 1 25 LEU MD1 1 43 TRP HZ2 4.000 . 4.750 1.829 1.817 1.860 . 0 0 "[ . 1 . 2]" 1
716 1 25 LEU MD1 1 43 TRP HH2 5.000 . 6.000 2.485 2.454 2.563 . 0 0 "[ . 1 . 2]" 1
717 1 25 LEU MD2 1 43 TRP HE1 5.000 . 6.000 4.343 4.298 4.379 . 0 0 "[ . 1 . 2]" 1
718 1 25 LEU MD2 1 43 TRP HZ2 5.000 . 6.000 3.702 3.582 3.748 . 0 0 "[ . 1 . 2]" 1
719 1 25 LEU MD2 1 43 TRP HH2 5.000 . 6.000 4.996 4.897 5.013 . 0 0 "[ . 1 . 2]" 1
720 1 26 VAL H 1 35 VAL MG2 5.000 . 6.000 3.830 3.757 3.899 . 0 0 "[ . 1 . 2]" 1
721 1 26 VAL HB 1 35 VAL MG2 5.000 . 6.000 2.110 1.953 2.237 . 0 0 "[ . 1 . 2]" 1
722 1 26 VAL MG1 1 35 VAL MG1 5.000 . 6.000 2.095 1.889 2.480 . 0 0 "[ . 1 . 2]" 1
723 1 26 VAL MG1 1 35 VAL MG2 5.000 . 6.000 2.476 2.137 2.712 . 0 0 "[ . 1 . 2]" 1
724 1 26 VAL MG2 1 35 VAL MG1 5.000 . 6.000 3.193 3.012 3.351 . 0 0 "[ . 1 . 2]" 1
725 1 26 VAL MG2 1 35 VAL MG2 5.000 . 6.000 3.501 3.420 3.582 . 0 0 "[ . 1 . 2]" 1
726 1 26 VAL MG1 1 36 LEU H 5.000 . 6.000 4.353 4.210 4.505 . 0 0 "[ . 1 . 2]" 1
727 1 26 VAL MG1 1 39 ASP HB3 4.000 . 4.750 1.872 1.829 1.924 . 0 0 "[ . 1 . 2]" 1
728 1 26 VAL MG1 1 39 ASP HB2 4.000 . 4.750 3.133 2.999 3.299 . 0 0 "[ . 1 . 2]" 1
729 1 26 VAL HB 1 40 ILE MD 5.000 . 6.000 3.137 3.085 3.197 . 0 0 "[ . 1 . 2]" 1
730 1 26 VAL MG1 1 40 ILE H 5.000 . 6.000 3.394 3.216 3.541 . 0 0 "[ . 1 . 2]" 1
731 1 26 VAL MG1 1 40 ILE HA 4.000 . 4.750 2.550 2.362 2.648 . 0 0 "[ . 1 . 2]" 1
732 1 26 VAL MG1 1 40 ILE QG 5.000 . 6.000 3.837 3.736 3.987 . 0 0 "[ . 1 . 2]" 1
733 1 26 VAL MG2 1 40 ILE H 5.000 . 6.000 4.721 4.622 4.828 . 0 0 "[ . 1 . 2]" 1
734 1 26 VAL MG2 1 40 ILE HA 5.000 . 6.000 2.755 2.654 3.003 . 0 0 "[ . 1 . 2]" 1
735 1 26 VAL MG2 1 40 ILE MD 5.000 . 6.000 2.514 2.317 2.658 . 0 0 "[ . 1 . 2]" 1
736 1 26 VAL MG1 1 42 ALA H 5.000 . 6.000 4.870 4.762 4.951 . 0 0 "[ . 1 . 2]" 1
737 1 26 VAL HA 1 43 TRP HB2 4.000 . 4.750 3.718 3.682 3.773 . 0 0 "[ . 1 . 2]" 1
738 1 26 VAL HA 1 43 TRP HD1 3.000 . 3.500 2.479 2.320 2.552 . 0 0 "[ . 1 . 2]" 1
739 1 26 VAL HA 1 43 TRP HE1 5.000 . 6.000 3.841 3.678 3.904 . 0 0 "[ . 1 . 2]" 1
740 1 26 VAL MG1 1 43 TRP H 5.000 . 6.000 3.443 3.382 3.502 . 0 0 "[ . 1 . 2]" 1
741 1 26 VAL MG1 1 43 TRP HB3 5.000 . 6.000 3.204 3.093 3.293 . 0 0 "[ . 1 . 2]" 1
742 1 26 VAL MG1 1 43 TRP HB2 4.000 . 4.750 1.943 1.853 2.162 . 0 0 "[ . 1 . 2]" 1
743 1 26 VAL MG1 1 43 TRP HD1 5.000 . 6.000 3.076 2.761 3.219 . 0 0 "[ . 1 . 2]" 1
744 1 26 VAL MG1 1 43 TRP HE1 5.000 . 6.000 4.837 4.684 4.916 . 0 0 "[ . 1 . 2]" 1
745 1 26 VAL MG1 1 43 TRP HE3 5.000 . 6.000 5.012 4.995 5.031 . 0 0 "[ . 1 . 2]" 1
746 1 26 VAL MG2 1 43 TRP H 5.000 . 6.000 4.420 4.306 4.526 . 0 0 "[ . 1 . 2]" 1
747 1 26 VAL MG2 1 43 TRP HB3 5.000 . 6.000 2.952 2.830 3.050 . 0 0 "[ . 1 . 2]" 1
748 1 26 VAL MG2 1 43 TRP HB2 4.000 . 4.750 2.567 2.455 2.640 . 0 0 "[ . 1 . 2]" 1
749 1 26 VAL MG2 1 43 TRP HD1 5.000 . 6.000 2.957 2.745 3.053 . 0 0 "[ . 1 . 2]" 1
750 1 26 VAL MG2 1 43 TRP HE1 5.000 . 6.000 3.406 3.133 3.650 . 0 0 "[ . 1 . 2]" 1
751 1 26 VAL MG2 1 43 TRP HE3 5.000 . 6.000 3.867 3.815 3.900 . 0 0 "[ . 1 . 2]" 1
752 1 26 VAL MG2 1 43 TRP HZ3 5.000 . 6.000 5.024 5.005 5.040 . 0 0 "[ . 1 . 2]" 1
753 1 27 GLN H 1 43 TRP HD1 4.000 . 4.750 3.952 3.873 4.002 . 0 0 "[ . 1 . 2]" 1
754 1 27 GLN QB 1 43 TRP HD1 5.000 . 6.000 5.343 5.283 5.355 . 0 0 "[ . 1 . 2]" 1
755 1 28 GLY H 1 34 ARG HA 4.000 . 4.750 4.783 4.767 4.803 0.053 8 0 "[ . 1 . 2]" 1
756 1 28 GLY H 1 35 VAL HA 4.000 . 4.750 3.916 3.742 4.275 . 0 0 "[ . 1 . 2]" 1
757 1 28 GLY H 1 35 VAL HB 5.000 . 6.000 4.834 4.618 5.110 . 0 0 "[ . 1 . 2]" 1
758 1 28 GLY H 1 35 VAL MG1 5.000 . 6.000 4.639 4.455 4.929 . 0 0 "[ . 1 . 2]" 1
759 1 28 GLY H 1 35 VAL MG2 4.000 . 4.750 2.203 1.934 2.506 . 0 0 "[ . 1 . 2]" 1
760 1 28 GLY QA 1 35 VAL H 4.000 . 4.750 2.851 2.763 2.990 . 0 0 "[ . 1 . 2]" 1
761 1 28 GLY QA 1 35 VAL HA 3.000 . 3.500 1.831 1.801 1.885 . 0 0 "[ . 1 . 2]" 1
762 1 28 GLY QA 1 35 VAL MG1 5.000 . 6.000 3.390 3.325 3.523 . 0 0 "[ . 1 . 2]" 1
763 1 28 GLY QA 1 35 VAL MG2 4.000 . 4.750 1.992 1.870 2.142 . 0 0 "[ . 1 . 2]" 1
764 1 28 GLY QA 1 36 LEU H 4.000 . 4.750 3.267 3.148 3.483 . 0 0 "[ . 1 . 2]" 1
765 1 29 THR H 1 35 VAL HA 4.000 . 4.750 3.275 3.035 3.390 . 0 0 "[ . 1 . 2]" 1
766 1 29 THR H 1 35 VAL MG1 5.000 . 6.000 4.981 4.804 5.008 . 0 0 "[ . 1 . 2]" 1
767 1 29 THR H 1 35 VAL MG2 5.000 . 6.000 4.245 3.928 4.440 . 0 0 "[ . 1 . 2]" 1
768 1 29 THR H 1 36 LEU H 4.000 . 4.750 3.842 3.671 3.967 . 0 0 "[ . 1 . 2]" 1
769 1 29 THR H 1 36 LEU HG 5.000 . 6.000 3.931 3.561 4.070 . 0 0 "[ . 1 . 2]" 1
770 1 29 THR H 1 36 LEU QD 5.000 . 6.000 4.379 4.092 4.461 . 0 0 "[ . 1 . 2]" 1
771 1 30 GLY H 1 35 VAL HA 4.000 . 4.750 4.022 3.900 4.225 . 0 0 "[ . 1 . 2]" 1
772 1 30 GLY H 1 36 LEU H 5.000 . 6.000 4.829 4.751 5.048 . 0 0 "[ . 1 . 2]" 1
773 1 30 GLY H 1 36 LEU HG 4.000 . 4.750 3.767 3.641 3.914 . 0 0 "[ . 1 . 2]" 1
774 1 30 GLY QA 1 36 LEU HG 4.000 . 4.750 2.916 2.745 3.144 . 0 0 "[ . 1 . 2]" 1
775 1 30 GLY QA 1 36 LEU QD 4.000 . 4.750 2.615 2.489 2.751 . 0 0 "[ . 1 . 2]" 1
776 1 31 LYS H 1 36 LEU QD 5.000 . 6.000 4.457 4.451 4.464 . 0 0 "[ . 1 . 2]" 1
777 1 35 VAL MG1 1 40 ILE H 4.000 . 4.750 2.963 2.890 3.034 . 0 0 "[ . 1 . 2]" 1
778 1 35 VAL MG2 1 40 ILE H 5.000 . 6.000 5.048 5.032 5.067 . 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 34
_Distance_constraint_stats_list.Viol_count 270
_Distance_constraint_stats_list.Viol_total 126.170
_Distance_constraint_stats_list.Viol_max 0.082
_Distance_constraint_stats_list.Viol_rms 0.0185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0093
_Distance_constraint_stats_list.Viol_average_violations_only 0.0234
_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 7 ILE 0.135 0.024 8 0 "[ . 1 . 2]"
1 11 SER 0.068 0.011 16 0 "[ . 1 . 2]"
1 12 VAL 0.733 0.051 13 0 "[ . 1 . 2]"
1 13 ARG 0.269 0.024 13 0 "[ . 1 . 2]"
1 14 LYS 0.067 0.010 12 0 "[ . 1 . 2]"
1 15 TYR 0.248 0.017 11 0 "[ . 1 . 2]"
1 16 ALA 2.735 0.082 19 0 "[ . 1 . 2]"
1 17 ARG 0.269 0.024 13 0 "[ . 1 . 2]"
1 18 GLU 0.067 0.010 12 0 "[ . 1 . 2]"
1 19 LYS 0.180 0.017 11 0 "[ . 1 . 2]"
1 21 VAL 2.003 0.082 19 0 "[ . 1 . 2]"
1 22 ASP 1.265 0.073 19 0 "[ . 1 . 2]"
1 23 ILE 1.002 0.063 9 0 "[ . 1 . 2]"
1 24 ARG 0.029 0.021 18 0 "[ . 1 . 2]"
1 25 LEU 1.236 0.073 19 0 "[ . 1 . 2]"
1 26 VAL 1.002 0.063 9 0 "[ . 1 . 2]"
1 30 GLY 0.206 0.019 13 0 "[ . 1 . 2]"
1 34 ARG 0.206 0.019 13 0 "[ . 1 . 2]"
1 35 VAL 0.135 0.024 8 0 "[ . 1 . 2]"
1 36 LEU 0.364 0.021 2 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.016 0.004 10 0 "[ . 1 . 2]"
1 39 ASP 0.364 0.021 2 0 "[ . 1 . 2]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.016 0.004 10 0 "[ . 1 . 2]"
1 43 TRP 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 11 SER O 1 15 TYR H 1.950 . 2.100 2.091 2.011 2.111 0.011 16 0 "[ . 1 . 2]" 2
2 1 11 SER O 1 15 TYR N 2.900 2.700 3.100 2.983 2.875 3.032 . 0 0 "[ . 1 . 2]" 2
3 1 12 VAL O 1 16 ALA H 1.950 . 2.100 1.763 1.749 1.780 0.051 13 0 "[ . 1 . 2]" 2
4 1 12 VAL O 1 16 ALA N 2.900 2.700 3.100 2.736 2.721 2.754 . 0 0 "[ . 1 . 2]" 2
5 1 13 ARG O 1 17 ARG H 1.950 . 2.100 2.113 2.107 2.124 0.024 13 0 "[ . 1 . 2]" 2
6 1 13 ARG O 1 17 ARG N 2.900 2.700 3.100 2.951 2.940 2.961 . 0 0 "[ . 1 . 2]" 2
7 1 14 LYS O 1 18 GLU H 1.950 . 2.100 2.101 2.079 2.110 0.010 12 0 "[ . 1 . 2]" 2
8 1 14 LYS O 1 18 GLU N 2.900 2.700 3.100 2.834 2.817 2.850 . 0 0 "[ . 1 . 2]" 2
9 1 15 TYR O 1 19 LYS H 1.950 . 2.100 1.797 1.789 1.802 0.011 16 0 "[ . 1 . 2]" 2
10 1 15 TYR O 1 19 LYS N 2.900 2.700 3.100 2.695 2.683 2.707 0.017 11 0 "[ . 1 . 2]" 2
11 1 16 ALA O 1 21 VAL H 1.950 . 2.100 1.771 1.759 1.796 0.041 8 0 "[ . 1 . 2]" 2
12 1 16 ALA O 1 21 VAL N 2.900 2.700 3.100 2.629 2.618 2.639 0.082 19 0 "[ . 1 . 2]" 2
13 1 22 ASP OD1 1 24 ARG H 1.950 . 2.100 1.976 1.798 2.121 0.021 18 0 "[ . 1 . 2]" 2
14 1 22 ASP OD1 1 24 ARG N 2.900 2.700 3.100 2.945 2.776 3.102 0.002 18 0 "[ . 1 . 2]" 2
15 1 22 ASP O 1 25 LEU H 1.950 . 2.100 1.807 1.789 1.833 0.011 20 0 "[ . 1 . 2]" 2
16 1 22 ASP O 1 25 LEU N 2.900 2.700 3.100 2.639 2.627 2.647 0.073 19 0 "[ . 1 . 2]" 2
17 1 23 ILE O 1 26 VAL H 1.950 . 2.100 2.150 2.142 2.163 0.063 9 0 "[ . 1 . 2]" 2
18 1 23 ILE O 1 26 VAL N 2.900 2.700 3.100 2.972 2.940 2.989 . 0 0 "[ . 1 . 2]" 2
19 1 30 GLY O 1 34 ARG H 1.950 . 2.100 1.854 1.781 2.105 0.019 13 0 "[ . 1 . 2]" 2
20 1 30 GLY O 1 34 ARG N 2.900 2.700 3.100 2.780 2.681 3.042 0.019 14 0 "[ . 1 . 2]" 2
21 1 7 ILE O 1 35 VAL H 1.950 . 2.100 1.960 1.785 2.124 0.024 8 0 "[ . 1 . 2]" 2
22 1 7 ILE O 1 35 VAL N 2.900 2.700 3.100 2.933 2.749 3.091 . 0 0 "[ . 1 . 2]" 2
23 1 36 LEU H 1 39 ASP OD2 1.950 . 2.100 2.115 2.110 2.121 0.021 2 0 "[ . 1 . 2]" 2
24 1 36 LEU N 1 39 ASP OD2 2.900 2.700 3.100 3.069 3.036 3.086 . 0 0 "[ . 1 . 2]" 2
25 1 36 LEU O 1 39 ASP H 1.950 . 2.100 2.067 2.027 2.104 0.004 19 0 "[ . 1 . 2]" 2
26 1 36 LEU O 1 39 ASP N 2.900 2.700 3.100 2.714 2.694 2.759 0.006 9 0 "[ . 1 . 2]" 2
27 1 36 LEU O 1 40 ILE H 1.950 . 2.100 2.049 2.007 2.092 . 0 0 "[ . 1 . 2]" 2
28 1 36 LEU O 1 40 ILE N 2.900 2.700 3.100 2.992 2.948 3.035 . 0 0 "[ . 1 . 2]" 2
29 1 37 LYS O 1 41 ASP H 1.950 . 2.100 2.071 2.017 2.099 . 0 0 "[ . 1 . 2]" 2
30 1 37 LYS O 1 41 ASP N 2.900 2.700 3.100 3.044 2.995 3.073 . 0 0 "[ . 1 . 2]" 2
31 1 38 GLU O 1 42 ALA H 1.950 . 2.100 2.051 1.867 2.104 0.004 10 0 "[ . 1 . 2]" 2
32 1 38 GLU O 1 42 ALA N 2.900 2.700 3.100 2.982 2.800 3.045 . 0 0 "[ . 1 . 2]" 2
33 1 39 ASP O 1 43 TRP H 1.950 . 2.100 1.943 1.813 2.024 . 0 0 "[ . 1 . 2]" 2
34 1 39 ASP O 1 43 TRP N 2.900 2.700 3.100 2.816 2.701 2.886 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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