NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
423658 |
2fce   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2fce
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 660
_Distance_constraint_stats_list.Viol_count 1029
_Distance_constraint_stats_list.Viol_total 2270.284
_Distance_constraint_stats_list.Viol_max 0.865
_Distance_constraint_stats_list.Viol_rms 0.0417
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0086
_Distance_constraint_stats_list.Viol_average_violations_only 0.1103
_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 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LYS 6.806 0.429 17 0 "[ . 1 . 2]"
1 4 THR 0.032 0.032 16 0 "[ . 1 . 2]"
1 5 GLU 10.081 0.429 17 0 "[ . 1 . 2]"
1 6 ASP 0.050 0.037 7 0 "[ . 1 . 2]"
1 7 PHE 3.537 0.170 16 0 "[ . 1 . 2]"
1 8 VAL 4.441 0.715 12 1 "[ . 1 + . 2]"
1 9 LYS 0.877 0.216 12 0 "[ . 1 . 2]"
1 10 ALA 0.661 0.160 17 0 "[ . 1 . 2]"
1 11 PHE 1.967 0.469 14 0 "[ . 1 . 2]"
1 12 GLN 2.275 0.469 14 0 "[ . 1 . 2]"
1 13 VAL 1.216 0.210 11 0 "[ . 1 . 2]"
1 14 PHE 1.797 0.359 20 0 "[ . 1 . 2]"
1 15 ASP 0.052 0.052 10 0 "[ . 1 . 2]"
1 16 LYS 0.662 0.101 19 0 "[ . 1 . 2]"
1 17 GLU 0.342 0.059 6 0 "[ . 1 . 2]"
1 18 SER 0.051 0.015 2 0 "[ . 1 . 2]"
1 19 THR 0.010 0.010 7 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 2.245 0.154 20 0 "[ . 1 . 2]"
1 22 VAL 2.303 0.196 11 0 "[ . 1 . 2]"
1 23 SER 0.699 0.043 14 0 "[ . 1 . 2]"
1 24 VAL 3.531 0.343 2 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 1.494 0.127 10 0 "[ . 1 . 2]"
1 27 LEU 2.233 0.196 11 0 "[ . 1 . 2]"
1 28 ARG 6.016 0.246 6 0 "[ . 1 . 2]"
1 29 TYR 1.804 0.127 10 0 "[ . 1 . 2]"
1 30 MET 21.291 0.512 9 1 "[ . +1 . 2]"
1 31 LEU 2.852 0.234 14 0 "[ . 1 . 2]"
1 32 THR 11.334 0.391 10 0 "[ . 1 . 2]"
1 33 GLY 1.985 0.191 13 0 "[ . 1 . 2]"
1 34 LEU 12.763 0.409 9 0 "[ . 1 . 2]"
1 35 GLY 1.446 0.083 16 0 "[ . 1 . 2]"
1 36 GLU 6.219 0.236 3 0 "[ . 1 . 2]"
1 37 LYS 4.439 0.865 1 1 "[+ . 1 . 2]"
1 38 LEU 0.046 0.030 1 0 "[ . 1 . 2]"
1 39 THR 3.311 0.222 14 0 "[ . 1 . 2]"
1 40 ASP 0.523 0.483 5 0 "[ . 1 . 2]"
1 41 ALA 0.483 0.483 5 0 "[ . 1 . 2]"
1 42 GLU 1.878 0.114 2 0 "[ . 1 . 2]"
1 43 VAL 4.242 0.165 9 0 "[ . 1 . 2]"
1 44 ASP 0.249 0.054 14 0 "[ . 1 . 2]"
1 45 GLU 0.185 0.046 5 0 "[ . 1 . 2]"
1 46 LEU 2.696 0.204 10 0 "[ . 1 . 2]"
1 47 LEU 3.938 0.343 2 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 VAL 1.873 0.233 8 0 "[ . 1 . 2]"
1 51 GLU 0.724 0.690 11 1 "[ . 1+ . 2]"
1 52 VAL 7.232 0.321 12 0 "[ . 1 . 2]"
1 53 ASP 0.499 0.181 16 0 "[ . 1 . 2]"
1 54 SER 1.721 0.159 16 0 "[ . 1 . 2]"
1 55 ASN 0.792 0.063 6 0 "[ . 1 . 2]"
1 56 GLY 2.216 0.163 16 0 "[ . 1 . 2]"
1 57 GLU 1.490 0.149 8 0 "[ . 1 . 2]"
1 58 ILE 1.536 0.160 10 0 "[ . 1 . 2]"
1 59 ASP 4.500 0.160 10 0 "[ . 1 . 2]"
1 60 TYR 0.066 0.060 3 0 "[ . 1 . 2]"
1 61 LYS 1.693 0.113 17 0 "[ . 1 . 2]"
1 62 LYS 1.062 0.143 10 0 "[ . 1 . 2]"
1 63 PHE 10.689 0.305 7 0 "[ . 1 . 2]"
1 64 ILE 6.864 0.305 7 0 "[ . 1 . 2]"
1 65 GLU 1.591 0.100 20 0 "[ . 1 . 2]"
1 66 ASP 4.642 0.156 3 0 "[ . 1 . 2]"
1 67 VAL 1.332 0.110 12 0 "[ . 1 . 2]"
1 68 LEU 3.500 0.168 6 0 "[ . 1 . 2]"
1 69 ARG 2.231 0.168 6 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 PHE HB3 1 11 PHE QD 4.000 . 4.000 3.974 3.697 4.089 0.089 17 0 "[ . 1 . 2]" 1
2 1 8 VAL HA 1 11 PHE QD 5.500 . 5.500 4.108 3.293 4.728 . 0 0 "[ . 1 . 2]" 1
3 1 11 PHE HB3 1 11 PHE QD 3.400 . 3.400 2.464 2.335 2.629 . 0 0 "[ . 1 . 2]" 1
4 1 7 PHE HD2 1 34 LEU MD1 5.500 . 5.500 4.860 3.289 5.663 0.163 16 0 "[ . 1 . 2]" 1
5 1 14 PHE HB3 1 14 PHE HD1 3.400 . 3.400 2.874 2.445 3.759 0.359 20 0 "[ . 1 . 2]" 1
6 1 11 PHE QE 1 27 LEU MD2 5.500 . 5.500 3.826 3.222 4.545 . 0 0 "[ . 1 . 2]" 1
7 1 26 ASP HA 1 29 TYR QD 5.500 . 5.500 4.362 3.998 4.511 . 0 0 "[ . 1 . 2]" 1
8 1 29 TYR HA 1 29 TYR QD 3.400 . 3.400 2.850 2.386 3.025 . 0 0 "[ . 1 . 2]" 1
9 1 29 TYR HB3 1 29 TYR QD 2.800 . 2.800 2.410 2.310 2.491 . 0 0 "[ . 1 . 2]" 1
10 1 29 TYR HA 1 29 TYR HE1 5.500 . 5.500 5.101 4.480 5.592 0.092 16 0 "[ . 1 . 2]" 1
11 1 29 TYR HB2 1 29 TYR HE1 5.500 . 5.500 5.107 4.711 5.488 . 0 0 "[ . 1 . 2]" 1
12 1 29 TYR QD 1 30 MET HG2 5.500 . 5.500 3.074 2.605 3.718 . 0 0 "[ . 1 . 2]" 1
13 1 22 VAL MG1 1 60 TYR QE 5.500 . 5.500 3.931 3.126 5.489 . 0 0 "[ . 1 . 2]" 1
14 1 22 VAL MG1 1 60 TYR QD 6.000 . 6.000 2.716 1.964 4.392 . 0 0 "[ . 1 . 2]" 1
15 1 63 PHE HB2 1 63 PHE HD2 3.400 . 3.400 3.401 3.345 3.453 0.053 14 0 "[ . 1 . 2]" 1
16 1 11 PHE QD 1 64 ILE MD 3.400 . 3.400 3.006 2.102 3.437 0.037 6 0 "[ . 1 . 2]" 1
17 1 11 PHE QE 1 64 ILE MD 5.500 . 5.500 2.569 1.964 3.793 . 0 0 "[ . 1 . 2]" 1
18 1 4 THR H 1 4 THR HB 3.400 . 3.400 2.732 2.637 2.807 . 0 0 "[ . 1 . 2]" 1
19 1 4 THR HB 1 5 GLU H 2.800 . 2.800 2.720 2.703 2.744 . 0 0 "[ . 1 . 2]" 1
20 1 4 THR H 1 5 GLU H 5.500 . 5.500 2.771 2.741 2.816 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU H 1 5 GLU HA 2.800 . 2.800 2.801 2.769 2.813 0.013 17 0 "[ . 1 . 2]" 1
22 1 5 GLU H 1 5 GLU HB2 2.800 . 2.800 2.353 2.305 2.402 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLU H 1 5 GLU HG3 5.500 . 5.500 2.377 2.015 3.399 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLU HA 1 6 ASP H 4.000 . 4.000 3.552 3.542 3.559 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU HB2 1 6 ASP H 3.400 . 3.400 2.608 2.553 2.756 . 0 0 "[ . 1 . 2]" 1
26 1 5 GLU HG3 1 6 ASP H 5.500 . 5.500 4.515 4.353 5.083 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLU H 1 6 ASP H 5.500 . 5.500 2.873 2.852 2.975 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASP H 1 6 ASP HB3 2.800 . 2.800 2.609 2.391 2.837 0.037 7 0 "[ . 1 . 2]" 1
29 1 6 ASP H 1 6 ASP HB2 4.000 . 4.000 2.360 2.114 3.556 . 0 0 "[ . 1 . 2]" 1
30 1 4 THR HA 1 7 PHE H 5.500 . 5.500 3.472 3.359 3.586 . 0 0 "[ . 1 . 2]" 1
31 1 5 GLU H 1 7 PHE H 5.500 . 5.500 4.585 4.415 4.747 . 0 0 "[ . 1 . 2]" 1
32 1 6 ASP HA 1 7 PHE H 5.500 . 5.500 3.570 3.554 3.583 . 0 0 "[ . 1 . 2]" 1
33 1 6 ASP HB2 1 7 PHE H 4.000 . 4.000 3.597 3.394 3.717 . 0 0 "[ . 1 . 2]" 1
34 1 7 PHE H 1 7 PHE HD2 6.000 . 6.000 3.680 3.230 5.192 . 0 0 "[ . 1 . 2]" 1
35 1 5 GLU HA 1 8 VAL H 3.400 . 3.400 3.560 3.513 3.736 0.336 12 0 "[ . 1 . 2]" 1
36 1 4 THR MG 1 5 GLU H 5.500 . 5.500 3.858 3.767 3.922 . 0 0 "[ . 1 . 2]" 1
37 1 6 ASP H 1 8 VAL H 5.500 . 5.500 4.081 4.029 4.185 . 0 0 "[ . 1 . 2]" 1
38 1 7 PHE HA 1 8 VAL H 5.500 . 5.500 3.585 3.572 3.616 . 0 0 "[ . 1 . 2]" 1
39 1 7 PHE HB3 1 8 VAL H 5.500 . 5.500 3.182 2.802 3.501 . 0 0 "[ . 1 . 2]" 1
40 1 7 PHE HB2 1 8 VAL H 5.500 . 5.500 2.896 2.704 3.201 . 0 0 "[ . 1 . 2]" 1
41 1 7 PHE HD2 1 8 VAL H 5.500 . 5.500 5.138 4.850 5.427 . 0 0 "[ . 1 . 2]" 1
42 1 7 PHE H 1 8 VAL H 3.400 . 3.400 2.597 2.551 2.674 . 0 0 "[ . 1 . 2]" 1
43 1 8 VAL H 1 8 VAL HB 2.800 . 2.800 2.487 2.389 3.515 0.715 12 1 "[ . 1 + . 2]" 1
44 1 8 VAL H 1 8 VAL QG . . 4.000 1.970 1.711 2.083 0.089 12 0 "[ . 1 . 2]" 1
45 1 6 ASP HA 1 9 LYS H 5.500 . 5.500 4.305 4.069 4.500 . 0 0 "[ . 1 . 2]" 1
46 1 8 VAL H 1 9 LYS HB2 5.500 . 5.500 4.929 4.506 5.270 . 0 0 "[ . 1 . 2]" 1
47 1 8 VAL HB 1 9 LYS H 3.400 . 3.400 2.369 2.150 3.616 0.216 12 0 "[ . 1 . 2]" 1
48 1 8 VAL QG 1 9 LYS H 5.500 . 5.500 2.978 1.855 3.159 . 0 0 "[ . 1 . 2]" 1
49 1 8 VAL H 1 9 LYS H 3.400 . 3.400 2.846 2.667 3.006 . 0 0 "[ . 1 . 2]" 1
50 1 9 LYS H 1 9 LYS HB2 2.800 . 2.800 2.296 2.133 2.399 . 0 0 "[ . 1 . 2]" 1
51 1 9 LYS H 1 9 LYS HG3 5.500 . 5.500 3.963 2.260 4.434 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS H 1 9 LYS HG2 5.500 . 5.500 3.960 2.172 4.565 . 0 0 "[ . 1 . 2]" 1
53 1 7 PHE HA 1 10 ALA H 4.000 . 4.000 3.648 3.442 3.834 . 0 0 "[ . 1 . 2]" 1
54 1 8 VAL H 1 10 ALA H 5.500 . 5.500 4.118 4.057 4.203 . 0 0 "[ . 1 . 2]" 1
55 1 9 LYS HB3 1 10 ALA H 3.400 . 3.400 2.930 2.623 3.560 0.160 17 0 "[ . 1 . 2]" 1
56 1 9 LYS H 1 10 ALA H 3.400 . 3.400 2.741 2.679 2.805 . 0 0 "[ . 1 . 2]" 1
57 1 10 ALA H 1 10 ALA MB 2.800 . 2.800 2.056 1.933 2.154 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS QB 1 11 PHE H 5.500 . 5.500 5.090 4.938 5.269 . 0 0 "[ . 1 . 2]" 1
59 1 10 ALA H 1 11 PHE QD 5.500 . 5.500 4.472 4.161 4.811 . 0 0 "[ . 1 . 2]" 1
60 1 10 ALA MB 1 11 PHE H 5.500 . 5.500 2.275 2.087 2.674 . 0 0 "[ . 1 . 2]" 1
61 1 10 ALA H 1 11 PHE H 3.400 . 3.400 2.920 2.768 3.021 . 0 0 "[ . 1 . 2]" 1
62 1 11 PHE H 1 11 PHE HB3 4.000 . 4.000 3.484 3.403 3.543 . 0 0 "[ . 1 . 2]" 1
63 1 11 PHE H 1 11 PHE HB2 2.800 . 2.800 2.173 2.034 2.362 . 0 0 "[ . 1 . 2]" 1
64 1 11 PHE H 1 11 PHE QD 3.400 . 3.400 2.460 2.071 2.753 . 0 0 "[ . 1 . 2]" 1
65 1 11 PHE H 1 11 PHE QE 5.500 . 5.500 4.509 4.158 4.862 . 0 0 "[ . 1 . 2]" 1
66 1 10 ALA H 1 12 GLN H 5.500 . 5.500 4.565 4.466 4.635 . 0 0 "[ . 1 . 2]" 1
67 1 11 PHE H 1 12 GLN HB2 5.500 . 5.500 4.622 4.363 5.969 0.469 14 0 "[ . 1 . 2]" 1
68 1 11 PHE H 1 12 GLN H 3.400 . 3.400 2.711 2.622 2.756 . 0 0 "[ . 1 . 2]" 1
69 1 12 GLN H 1 12 GLN HA 2.800 . 2.800 2.757 2.746 2.767 . 0 0 "[ . 1 . 2]" 1
70 1 12 GLN H 1 12 GLN HB3 4.000 . 4.000 3.412 2.239 3.554 . 0 0 "[ . 1 . 2]" 1
71 1 12 GLN H 1 12 GLN HB2 4.000 . 4.000 2.437 2.179 3.522 . 0 0 "[ . 1 . 2]" 1
72 1 12 GLN H 1 12 GLN HG3 3.400 . 3.400 2.535 2.011 3.519 0.119 14 0 "[ . 1 . 2]" 1
73 1 12 GLN H 1 12 GLN HG2 3.400 . 3.400 3.033 2.001 3.362 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLN HA 1 13 VAL H 5.500 . 5.500 3.599 3.560 3.617 . 0 0 "[ . 1 . 2]" 1
75 1 12 GLN HB3 1 13 VAL H 5.500 . 5.500 3.540 3.339 3.992 . 0 0 "[ . 1 . 2]" 1
76 1 12 GLN HB2 1 13 VAL H 5.500 . 5.500 2.885 2.607 3.912 . 0 0 "[ . 1 . 2]" 1
77 1 12 GLN H 1 13 VAL H 3.400 . 3.400 3.086 3.039 3.125 . 0 0 "[ . 1 . 2]" 1
78 1 13 VAL H 1 13 VAL HB 4.000 . 4.000 2.580 2.338 3.580 . 0 0 "[ . 1 . 2]" 1
79 1 13 VAL H 1 13 VAL MG2 4.000 . 4.000 2.564 1.936 3.720 . 0 0 "[ . 1 . 2]" 1
80 1 12 GLN HA 1 14 PHE H 5.500 . 5.500 4.206 3.977 4.363 . 0 0 "[ . 1 . 2]" 1
81 1 13 VAL HA 1 14 PHE H 5.500 . 5.500 3.539 3.497 3.564 . 0 0 "[ . 1 . 2]" 1
82 1 13 VAL HB 1 14 PHE H 5.500 . 5.500 3.244 2.658 3.976 . 0 0 "[ . 1 . 2]" 1
83 1 13 VAL MG1 1 14 PHE H 5.500 . 5.500 3.070 1.892 3.941 . 0 0 "[ . 1 . 2]" 1
84 1 13 VAL MG2 1 14 PHE H 5.500 . 5.500 3.523 1.936 3.981 . 0 0 "[ . 1 . 2]" 1
85 1 14 PHE H 1 14 PHE HB3 3.400 . 3.400 2.770 2.435 3.474 0.074 20 0 "[ . 1 . 2]" 1
86 1 14 PHE H 1 15 ASP H 3.400 . 3.400 2.660 2.623 2.779 . 0 0 "[ . 1 . 2]" 1
87 1 14 PHE HA 1 16 LYS H 5.500 . 5.500 4.462 4.385 4.568 . 0 0 "[ . 1 . 2]" 1
88 1 15 ASP HA 1 16 LYS H 2.800 . 2.800 2.400 2.353 2.425 . 0 0 "[ . 1 . 2]" 1
89 1 15 ASP HB3 1 16 LYS H 5.500 . 5.500 4.313 4.199 4.627 . 0 0 "[ . 1 . 2]" 1
90 1 15 ASP HB2 1 16 LYS H 5.500 . 5.500 4.524 4.200 4.692 . 0 0 "[ . 1 . 2]" 1
91 1 16 LYS H 1 16 LYS HB2 4.000 . 4.000 2.730 2.287 3.550 . 0 0 "[ . 1 . 2]" 1
92 1 16 LYS H 1 16 LYS HD2 5.500 . 5.500 4.392 4.047 4.633 . 0 0 "[ . 1 . 2]" 1
93 1 16 LYS H 1 16 LYS HG2 2.800 . 2.800 2.251 1.946 2.901 0.101 19 0 "[ . 1 . 2]" 1
94 1 15 ASP HA 1 17 GLU H 5.500 . 5.500 3.524 3.187 3.839 . 0 0 "[ . 1 . 2]" 1
95 1 16 LYS H 1 17 GLU HG2 5.500 . 5.500 5.045 4.042 5.559 0.059 6 0 "[ . 1 . 2]" 1
96 1 16 LYS HA 1 17 GLU H 4.000 . 4.000 3.557 3.437 3.628 . 0 0 "[ . 1 . 2]" 1
97 1 16 LYS HG2 1 17 GLU H 5.500 . 5.500 3.885 1.960 4.844 . 0 0 "[ . 1 . 2]" 1
98 1 16 LYS H 1 17 GLU H 3.400 . 3.400 2.753 2.648 2.861 . 0 0 "[ . 1 . 2]" 1
99 1 17 GLU H 1 17 GLU HB2 4.000 . 4.000 2.313 2.146 2.458 . 0 0 "[ . 1 . 2]" 1
100 1 17 GLU H 1 17 GLU HG2 4.000 . 4.000 2.943 2.295 3.679 . 0 0 "[ . 1 . 2]" 1
101 1 15 ASP HA 1 18 SER H 5.500 . 5.500 4.201 4.002 4.774 . 0 0 "[ . 1 . 2]" 1
102 1 16 LYS H 1 18 SER H 5.500 . 5.500 4.194 4.040 4.495 . 0 0 "[ . 1 . 2]" 1
103 1 17 GLU HA 1 18 SER H 4.000 . 4.000 3.165 3.126 3.224 . 0 0 "[ . 1 . 2]" 1
104 1 17 GLU HB3 1 18 SER H 6.000 . 6.000 4.406 4.293 4.467 . 0 0 "[ . 1 . 2]" 1
105 1 17 GLU HB2 1 18 SER H 4.000 . 4.000 3.847 3.773 3.903 . 0 0 "[ . 1 . 2]" 1
106 1 17 GLU H 1 18 SER H 2.800 . 2.800 2.692 2.304 2.815 0.015 2 0 "[ . 1 . 2]" 1
107 1 18 SER H 1 18 SER HA 2.800 . 2.800 2.327 2.318 2.337 . 0 0 "[ . 1 . 2]" 1
108 1 18 SER H 1 18 SER HB2 4.000 . 4.000 3.090 2.662 3.913 . 0 0 "[ . 1 . 2]" 1
109 1 17 GLU H 1 19 THR MG 5.500 . 5.500 4.025 3.705 4.538 . 0 0 "[ . 1 . 2]" 1
110 1 18 SER H 1 19 THR MG 5.500 . 5.500 4.255 4.077 4.435 . 0 0 "[ . 1 . 2]" 1
111 1 18 SER H 1 19 THR H 3.400 . 3.400 3.231 3.161 3.410 0.010 7 0 "[ . 1 . 2]" 1
112 1 18 SER H 1 20 GLY H 5.500 . 5.500 5.042 4.916 5.242 . 0 0 "[ . 1 . 2]" 1
113 1 19 THR HA 1 20 GLY H 5.500 . 5.500 3.533 3.525 3.541 . 0 0 "[ . 1 . 2]" 1
114 1 19 THR MG 1 20 GLY H 5.500 . 5.500 3.473 1.891 4.000 . 0 0 "[ . 1 . 2]" 1
115 1 19 THR H 1 20 GLY H 5.500 . 5.500 2.541 2.230 2.671 . 0 0 "[ . 1 . 2]" 1
116 1 19 THR HB 1 21 LYS H 5.500 . 5.500 3.636 3.258 4.536 . 0 0 "[ . 1 . 2]" 1
117 1 20 GLY QA 1 21 LYS H . . 3.400 2.948 2.933 2.959 . 0 0 "[ . 1 . 2]" 1
118 1 20 GLY H 1 21 LYS H 3.400 . 3.400 2.350 2.309 2.432 . 0 0 "[ . 1 . 2]" 1
119 1 21 LYS H 1 21 LYS HB2 2.800 . 2.800 2.507 2.412 2.572 . 0 0 "[ . 1 . 2]" 1
120 1 21 LYS H 1 21 LYS HG2 5.500 . 5.500 3.888 2.913 4.689 . 0 0 "[ . 1 . 2]" 1
121 1 21 LYS HA 1 22 VAL H 2.800 . 2.800 2.371 2.345 2.384 . 0 0 "[ . 1 . 2]" 1
122 1 21 LYS HB3 1 22 VAL H 3.400 . 3.400 2.895 2.821 2.977 . 0 0 "[ . 1 . 2]" 1
123 1 21 LYS H 1 22 VAL H 5.500 . 5.500 4.488 4.470 4.494 . 0 0 "[ . 1 . 2]" 1
124 1 23 SER H 1 57 GLU QG 5.500 . 5.500 4.334 4.107 4.605 . 0 0 "[ . 1 . 2]" 1
125 1 22 VAL HA 1 23 SER H 2.800 . 2.800 2.400 2.379 2.424 . 0 0 "[ . 1 . 2]" 1
126 1 22 VAL HB 1 23 SER H 4.000 . 4.000 2.798 2.589 3.783 . 0 0 "[ . 1 . 2]" 1
127 1 22 VAL MG1 1 23 SER H 6.000 . 6.000 3.632 1.956 3.833 . 0 0 "[ . 1 . 2]" 1
128 1 23 SER H 1 23 SER HB3 4.000 . 4.000 2.785 2.763 2.832 . 0 0 "[ . 1 . 2]" 1
129 1 23 SER H 1 23 SER HB2 4.000 . 4.000 3.499 3.491 3.505 . 0 0 "[ . 1 . 2]" 1
130 1 23 SER HA 1 24 VAL H 2.800 . 2.800 2.288 2.263 2.334 . 0 0 "[ . 1 . 2]" 1
131 1 23 SER HB3 1 24 VAL H 4.000 . 4.000 4.035 4.021 4.043 0.043 14 0 "[ . 1 . 2]" 1
132 1 23 SER HB2 1 24 VAL H 3.400 . 3.400 3.089 3.048 3.120 . 0 0 "[ . 1 . 2]" 1
133 1 23 SER H 1 24 VAL H 5.500 . 5.500 4.642 4.634 4.652 . 0 0 "[ . 1 . 2]" 1
134 1 24 VAL H 1 24 VAL HB 4.000 . 4.000 2.588 2.395 3.581 . 0 0 "[ . 1 . 2]" 1
135 1 24 VAL H 1 24 VAL MG1 4.000 . 4.000 2.241 1.958 3.723 . 0 0 "[ . 1 . 2]" 1
136 1 23 SER HA 1 25 GLY H 5.500 . 5.500 4.224 4.149 4.276 . 0 0 "[ . 1 . 2]" 1
137 1 23 SER HB3 1 25 GLY H 5.500 . 5.500 4.599 4.484 4.655 . 0 0 "[ . 1 . 2]" 1
138 1 23 SER HB2 1 25 GLY H 5.500 . 5.500 2.879 2.762 2.935 . 0 0 "[ . 1 . 2]" 1
139 1 24 VAL HB 1 25 GLY H 4.000 . 4.000 3.699 2.563 3.922 . 0 0 "[ . 1 . 2]" 1
140 1 24 VAL MG1 1 25 GLY H 5.500 . 5.500 2.439 1.886 3.957 . 0 0 "[ . 1 . 2]" 1
141 1 24 VAL H 1 25 GLY H 3.400 . 3.400 2.829 2.737 2.863 . 0 0 "[ . 1 . 2]" 1
142 1 25 GLY H 1 25 GLY HA3 2.800 . 2.800 2.335 2.330 2.338 . 0 0 "[ . 1 . 2]" 1
143 1 23 SER H 1 26 ASP HB3 5.500 . 5.500 3.056 2.893 3.227 . 0 0 "[ . 1 . 2]" 1
144 1 23 SER H 1 26 ASP HB2 5.500 . 5.500 3.999 3.854 4.132 . 0 0 "[ . 1 . 2]" 1
145 1 23 SER HA 1 26 ASP H 5.500 . 5.500 4.671 4.618 4.703 . 0 0 "[ . 1 . 2]" 1
146 1 23 SER HB2 1 26 ASP H 5.500 . 5.500 3.163 3.053 3.231 . 0 0 "[ . 1 . 2]" 1
147 1 23 SER H 1 26 ASP H 5.500 . 5.500 4.177 4.065 4.275 . 0 0 "[ . 1 . 2]" 1
148 1 24 VAL MG1 1 26 ASP H 6.000 . 6.000 4.488 4.151 5.422 . 0 0 "[ . 1 . 2]" 1
149 1 24 VAL H 1 26 ASP H 5.500 . 5.500 4.382 4.359 4.411 . 0 0 "[ . 1 . 2]" 1
150 1 25 GLY HA3 1 26 ASP H 3.400 . 3.400 2.839 2.818 2.855 . 0 0 "[ . 1 . 2]" 1
151 1 25 GLY HA2 1 26 ASP H 4.000 . 4.000 3.558 3.554 3.564 . 0 0 "[ . 1 . 2]" 1
152 1 25 GLY H 1 26 ASP H 3.400 . 3.400 2.755 2.705 2.791 . 0 0 "[ . 1 . 2]" 1
153 1 26 ASP H 1 26 ASP HB3 2.800 . 2.800 2.531 2.480 2.697 . 0 0 "[ . 1 . 2]" 1
154 1 26 ASP H 1 26 ASP HB2 2.800 . 2.800 2.419 2.265 2.469 . 0 0 "[ . 1 . 2]" 1
155 1 11 PHE QE 1 27 LEU H 5.500 . 5.500 4.602 4.186 5.195 . 0 0 "[ . 1 . 2]" 1
156 1 24 VAL HA 1 27 LEU H 5.500 . 5.500 3.418 3.311 3.504 . 0 0 "[ . 1 . 2]" 1
157 1 26 ASP H 1 27 LEU HB3 5.500 . 5.500 4.520 4.422 4.595 . 0 0 "[ . 1 . 2]" 1
158 1 26 ASP HB2 1 27 LEU H 4.000 . 4.000 3.706 3.582 3.756 . 0 0 "[ . 1 . 2]" 1
159 1 26 ASP H 1 27 LEU H 3.480 . 3.480 2.451 2.403 2.492 . 0 0 "[ . 1 . 2]" 1
160 1 27 LEU H 1 27 LEU HB3 2.800 . 2.800 2.458 2.406 2.518 . 0 0 "[ . 1 . 2]" 1
161 1 27 LEU H 1 27 LEU HB2 2.800 . 2.800 2.426 2.379 2.477 . 0 0 "[ . 1 . 2]" 1
162 1 27 LEU H 1 27 LEU MD1 5.500 . 5.500 4.095 3.931 4.179 . 0 0 "[ . 1 . 2]" 1
163 1 27 LEU H 1 27 LEU MD2 5.500 . 5.500 4.089 4.021 4.200 . 0 0 "[ . 1 . 2]" 1
164 1 27 LEU HA 1 28 ARG H 5.500 . 5.500 3.593 3.580 3.600 . 0 0 "[ . 1 . 2]" 1
165 1 27 LEU H 1 28 ARG H 3.400 . 3.400 2.844 2.789 2.872 . 0 0 "[ . 1 . 2]" 1
166 1 26 ASP HA 1 29 TYR H 3.400 . 3.400 3.475 3.413 3.527 0.127 10 0 "[ . 1 . 2]" 1
167 1 27 LEU HA 1 29 TYR H 6.000 . 6.000 4.310 4.233 4.389 . 0 0 "[ . 1 . 2]" 1
168 1 28 ARG HA 1 29 TYR H 5.500 . 5.500 3.534 3.525 3.542 . 0 0 "[ . 1 . 2]" 1
169 1 28 ARG H 1 29 TYR H 3.400 . 3.400 2.678 2.661 2.698 . 0 0 "[ . 1 . 2]" 1
170 1 29 TYR H 1 29 TYR HB2 2.800 . 2.800 2.392 2.245 2.461 . 0 0 "[ . 1 . 2]" 1
171 1 29 TYR H 1 29 TYR QD 5.500 . 5.500 4.137 4.076 4.159 . 0 0 "[ . 1 . 2]" 1
172 1 11 PHE H 1 30 MET ME 5.500 . 5.500 4.624 4.187 5.094 . 0 0 "[ . 1 . 2]" 1
173 1 26 ASP HA 1 30 MET H 5.500 . 5.500 4.166 3.945 4.340 . 0 0 "[ . 1 . 2]" 1
174 1 29 TYR HA 1 30 MET H 4.000 . 4.000 3.593 3.585 3.600 . 0 0 "[ . 1 . 2]" 1
175 1 29 TYR HB3 1 30 MET H 2.800 . 2.800 2.384 2.337 2.412 . 0 0 "[ . 1 . 2]" 1
176 1 29 TYR QD 1 30 MET H 5.500 . 5.500 3.327 3.111 3.765 . 0 0 "[ . 1 . 2]" 1
177 1 29 TYR H 1 30 MET H 3.400 . 3.400 2.760 2.734 2.789 . 0 0 "[ . 1 . 2]" 1
178 1 30 MET H 1 30 MET HB3 4.000 . 4.000 3.426 3.387 3.469 . 0 0 "[ . 1 . 2]" 1
179 1 30 MET H 1 30 MET HG3 2.800 . 2.800 3.175 3.066 3.312 0.512 9 1 "[ . +1 . 2]" 1
180 1 28 ARG HA 1 31 LEU H 5.500 . 5.500 3.585 3.408 3.706 . 0 0 "[ . 1 . 2]" 1
181 1 30 MET HA 1 31 LEU H 5.500 . 5.500 3.572 3.526 3.585 . 0 0 "[ . 1 . 2]" 1
182 1 30 MET HB3 1 31 LEU H 4.000 . 4.000 3.272 3.167 3.507 . 0 0 "[ . 1 . 2]" 1
183 1 30 MET HB2 1 31 LEU H 2.800 . 2.800 2.832 2.747 3.034 0.234 14 0 "[ . 1 . 2]" 1
184 1 31 LEU H 1 31 LEU HB2 3.400 . 3.400 2.118 1.975 2.423 . 0 0 "[ . 1 . 2]" 1
185 1 32 THR H 1 33 GLY HA3 5.500 . 5.500 4.985 4.842 5.029 . 0 0 "[ . 1 . 2]" 1
186 1 30 MET HA 1 32 THR H 4.000 . 4.000 4.349 4.292 4.391 0.391 10 0 "[ . 1 . 2]" 1
187 1 28 ARG HA 1 32 THR H 4.000 . 4.000 4.180 4.127 4.246 0.246 6 0 "[ . 1 . 2]" 1
188 1 31 LEU H 1 32 THR HA 5.500 . 5.500 5.423 5.355 5.506 0.006 5 0 "[ . 1 . 2]" 1
189 1 30 MET ME 1 31 LEU H 5.500 . 5.500 4.399 4.331 4.478 . 0 0 "[ . 1 . 2]" 1
190 1 31 LEU HA 1 32 THR H 4.000 . 4.000 3.556 3.538 3.601 . 0 0 "[ . 1 . 2]" 1
191 1 31 LEU HB3 1 32 THR H 3.400 . 3.400 2.564 2.367 2.923 . 0 0 "[ . 1 . 2]" 1
192 1 31 LEU HB2 1 32 THR H 5.500 . 5.500 3.324 2.762 3.779 . 0 0 "[ . 1 . 2]" 1
193 1 31 LEU H 1 32 THR H 3.400 . 3.400 2.757 2.698 2.912 . 0 0 "[ . 1 . 2]" 1
194 1 30 MET HA 1 33 GLY H 5.500 . 5.500 3.203 3.135 3.341 . 0 0 "[ . 1 . 2]" 1
195 1 30 MET QB 1 33 GLY H 5.500 . 5.500 4.493 4.446 4.542 . 0 0 "[ . 1 . 2]" 1
196 1 31 LEU H 1 33 GLY H 5.500 . 5.500 3.938 3.840 4.047 . 0 0 "[ . 1 . 2]" 1
197 1 31 LEU QB 1 33 GLY H 5.500 . 5.500 4.380 4.333 4.422 . 0 0 "[ . 1 . 2]" 1
198 1 32 THR HA 1 33 GLY H 4.000 . 4.000 3.482 3.435 3.503 . 0 0 "[ . 1 . 2]" 1
199 1 33 GLY H 1 33 GLY HA3 2.800 . 2.800 2.381 2.374 2.384 . 0 0 "[ . 1 . 2]" 1
200 1 33 GLY H 1 34 LEU QD 5.500 . 5.500 4.991 4.595 5.144 . 0 0 "[ . 1 . 2]" 1
201 1 33 GLY HA3 1 34 LEU H 3.400 . 3.400 3.173 3.160 3.186 . 0 0 "[ . 1 . 2]" 1
202 1 33 GLY HA2 1 34 LEU H 3.400 . 3.400 3.430 3.415 3.438 0.038 11 0 "[ . 1 . 2]" 1
203 1 33 GLY H 1 34 LEU H 3.400 . 3.400 2.334 2.310 2.348 . 0 0 "[ . 1 . 2]" 1
204 1 34 LEU HA 1 35 GLY H 3.400 . 3.400 3.316 3.301 3.325 . 0 0 "[ . 1 . 2]" 1
205 1 34 LEU HB3 1 35 GLY H 5.500 . 5.500 3.733 3.639 3.773 . 0 0 "[ . 1 . 2]" 1
206 1 34 LEU HB2 1 35 GLY H 5.500 . 5.500 4.147 4.075 4.392 . 0 0 "[ . 1 . 2]" 1
207 1 34 LEU MD2 1 35 GLY H 5.500 . 5.500 4.468 4.248 5.320 . 0 0 "[ . 1 . 2]" 1
208 1 34 LEU H 1 35 GLY H 5.500 . 5.500 2.633 2.606 2.657 . 0 0 "[ . 1 . 2]" 1
209 1 35 GLY H 1 35 GLY HA2 2.800 . 2.800 2.444 2.438 2.451 . 0 0 "[ . 1 . 2]" 1
210 1 34 LEU HB3 1 36 GLU H 4.000 . 4.000 4.187 4.094 4.236 0.236 3 0 "[ . 1 . 2]" 1
211 1 7 PHE HZ 1 36 GLU H 6.000 . 6.000 5.985 5.680 6.117 0.117 9 0 "[ . 1 . 2]" 1
212 1 35 GLY HA3 1 36 GLU H 3.400 . 3.400 3.472 3.463 3.483 0.083 16 0 "[ . 1 . 2]" 1
213 1 35 GLY HA2 1 36 GLU H 4.000 . 4.000 2.889 2.872 2.919 . 0 0 "[ . 1 . 2]" 1
214 1 36 GLU H 1 36 GLU HB2 3.400 . 3.400 2.684 2.531 2.764 . 0 0 "[ . 1 . 2]" 1
215 1 32 THR MG 1 33 GLY H 5.500 . 5.500 3.761 2.247 4.232 . 0 0 "[ . 1 . 2]" 1
216 1 36 GLU HA 1 37 LYS H 2.800 . 2.800 2.229 2.216 2.244 . 0 0 "[ . 1 . 2]" 1
217 1 37 LYS H 1 37 LYS HA 2.800 . 2.800 2.977 2.956 2.980 0.180 10 0 "[ . 1 . 2]" 1
218 1 37 LYS H 1 37 LYS HB2 2.800 . 2.800 2.609 2.494 3.665 0.865 1 1 "[+ . 1 . 2]" 1
219 1 37 LYS H 1 37 LYS HG3 3.400 . 3.400 2.990 2.660 3.286 . 0 0 "[ . 1 . 2]" 1
220 1 37 LYS HA 1 38 LEU H 2.800 . 2.800 2.506 2.500 2.519 . 0 0 "[ . 1 . 2]" 1
221 1 37 LYS H 1 38 LEU H 5.500 . 5.500 3.156 3.131 3.205 . 0 0 "[ . 1 . 2]" 1
222 1 38 LEU H 1 38 LEU MD1 5.500 . 5.500 3.473 3.349 3.567 . 0 0 "[ . 1 . 2]" 1
223 1 38 LEU H 1 38 LEU HG 2.800 . 2.800 2.325 2.289 2.474 . 0 0 "[ . 1 . 2]" 1
224 1 38 LEU HA 1 39 THR H 2.800 . 2.800 2.335 2.318 2.348 . 0 0 "[ . 1 . 2]" 1
225 1 38 LEU MD2 1 39 THR H 5.500 . 5.500 3.546 3.419 3.631 . 0 0 "[ . 1 . 2]" 1
226 1 38 LEU HG 1 39 THR H 5.500 . 5.500 5.022 4.948 5.067 . 0 0 "[ . 1 . 2]" 1
227 1 38 LEU H 1 39 THR H 5.500 . 5.500 4.599 4.594 4.606 . 0 0 "[ . 1 . 2]" 1
228 1 39 THR HA 1 40 ASP H 2.800 . 2.800 2.315 2.295 2.339 . 0 0 "[ . 1 . 2]" 1
229 1 39 THR HB 1 40 ASP H 4.000 . 4.000 3.779 3.202 4.018 0.018 3 0 "[ . 1 . 2]" 1
230 1 39 THR MG 1 40 ASP H 6.000 . 6.000 2.862 2.305 4.004 . 0 0 "[ . 1 . 2]" 1
231 1 40 ASP H 1 40 ASP HB3 2.800 . 2.800 2.731 2.233 2.798 . 0 0 "[ . 1 . 2]" 1
232 1 40 ASP H 1 40 ASP HB2 4.000 . 4.000 2.271 2.180 3.523 . 0 0 "[ . 1 . 2]" 1
233 1 39 THR HB 1 41 ALA H 3.400 . 3.400 2.980 2.776 3.105 . 0 0 "[ . 1 . 2]" 1
234 1 40 ASP HB3 1 41 ALA H 3.400 . 3.400 2.868 2.741 3.883 0.483 5 0 "[ . 1 . 2]" 1
235 1 40 ASP H 1 41 ALA H 3.400 . 3.400 3.071 3.046 3.087 . 0 0 "[ . 1 . 2]" 1
236 1 41 ALA H 1 41 ALA MB 2.800 . 2.800 2.099 2.007 2.157 . 0 0 "[ . 1 . 2]" 1
237 1 39 THR H 1 42 GLU HB3 5.500 . 5.500 3.967 3.022 4.192 . 0 0 "[ . 1 . 2]" 1
238 1 39 THR HB 1 42 GLU H 4.000 . 4.000 3.176 2.783 4.037 0.037 10 0 "[ . 1 . 2]" 1
239 1 39 THR H 1 42 GLU H 4.000 . 4.000 3.473 3.361 3.540 . 0 0 "[ . 1 . 2]" 1
240 1 40 ASP H 1 42 GLU H 5.500 . 5.500 4.817 4.729 4.873 . 0 0 "[ . 1 . 2]" 1
241 1 41 ALA HA 1 42 GLU H 4.000 . 4.000 3.590 3.581 3.602 . 0 0 "[ . 1 . 2]" 1
242 1 41 ALA MB 1 42 GLU H 3.400 . 3.400 2.205 2.105 2.353 . 0 0 "[ . 1 . 2]" 1
243 1 41 ALA H 1 42 GLU H 4.000 . 4.000 2.759 2.703 2.785 . 0 0 "[ . 1 . 2]" 1
244 1 42 GLU H 1 42 GLU HB3 3.400 . 3.400 3.469 2.940 3.514 0.114 2 0 "[ . 1 . 2]" 1
245 1 42 GLU H 1 42 GLU HB2 4.000 . 4.000 2.186 2.070 2.245 . 0 0 "[ . 1 . 2]" 1
246 1 42 GLU H 1 42 GLU HG2 4.000 . 4.000 3.697 2.793 3.997 . 0 0 "[ . 1 . 2]" 1
247 1 38 LEU HB3 1 43 VAL H 4.000 . 4.000 3.727 3.541 4.017 0.017 19 0 "[ . 1 . 2]" 1
248 1 40 ASP H 1 43 VAL MG2 5.500 . 5.500 3.707 3.577 3.890 . 0 0 "[ . 1 . 2]" 1
249 1 40 ASP HA 1 43 VAL H 4.000 . 4.000 3.461 3.263 3.604 . 0 0 "[ . 1 . 2]" 1
250 1 42 GLU H 1 43 VAL MG2 5.500 . 5.500 3.766 3.662 3.833 . 0 0 "[ . 1 . 2]" 1
251 1 42 GLU HA 1 43 VAL H 5.500 . 5.500 3.563 3.520 3.584 . 0 0 "[ . 1 . 2]" 1
252 1 42 GLU HB3 1 43 VAL H 4.000 . 4.000 3.387 2.596 3.733 . 0 0 "[ . 1 . 2]" 1
253 1 42 GLU HB2 1 43 VAL H 5.500 . 5.500 2.620 2.502 3.324 . 0 0 "[ . 1 . 2]" 1
254 1 42 GLU H 1 43 VAL H 3.400 . 3.400 2.524 2.501 2.600 . 0 0 "[ . 1 . 2]" 1
255 1 43 VAL H 1 43 VAL HB 4.000 . 4.000 2.463 2.409 2.518 . 0 0 "[ . 1 . 2]" 1
256 1 43 VAL H 1 43 VAL MG1 4.000 . 4.000 3.725 3.721 3.733 . 0 0 "[ . 1 . 2]" 1
257 1 43 VAL H 1 43 VAL MG2 2.800 . 2.800 1.957 1.935 2.089 . 0 0 "[ . 1 . 2]" 1
258 1 42 GLU H 1 45 GLU H 5.500 . 5.500 5.019 4.952 5.202 . 0 0 "[ . 1 . 2]" 1
259 1 44 ASP HA 1 45 GLU H 4.000 . 4.000 3.549 3.540 3.594 . 0 0 "[ . 1 . 2]" 1
260 1 44 ASP HB3 1 45 GLU H 2.800 . 2.800 2.598 2.502 2.653 . 0 0 "[ . 1 . 2]" 1
261 1 44 ASP HB2 1 45 GLU H 4.000 . 4.000 3.879 3.838 3.913 . 0 0 "[ . 1 . 2]" 1
262 1 44 ASP H 1 45 GLU H 2.800 . 2.800 2.658 2.615 2.763 . 0 0 "[ . 1 . 2]" 1
263 1 45 GLU H 1 45 GLU HB2 4.000 . 4.000 2.484 2.299 3.561 . 0 0 "[ . 1 . 2]" 1
264 1 45 GLU H 1 45 GLU HG2 2.800 . 2.800 2.282 1.898 2.846 0.046 5 0 "[ . 1 . 2]" 1
265 1 43 VAL HA 1 46 LEU H 5.500 . 5.500 3.424 3.305 3.593 . 0 0 "[ . 1 . 2]" 1
266 1 44 ASP H 1 46 LEU H 5.500 . 5.500 4.291 4.174 4.336 . 0 0 "[ . 1 . 2]" 1
267 1 45 GLU HB3 1 46 LEU H 4.000 . 4.000 3.458 3.302 3.955 . 0 0 "[ . 1 . 2]" 1
268 1 45 GLU H 1 46 LEU H 3.400 . 3.400 2.759 2.727 2.786 . 0 0 "[ . 1 . 2]" 1
269 1 46 LEU H 1 46 LEU HB3 3.400 . 3.400 3.419 2.853 3.519 0.119 11 0 "[ . 1 . 2]" 1
270 1 46 LEU H 1 46 LEU MD2 3.400 . 3.400 3.197 1.992 3.604 0.204 10 0 "[ . 1 . 2]" 1
271 1 47 LEU H 1 48 LYS H 2.800 . 2.800 2.706 2.563 2.788 . 0 0 "[ . 1 . 2]" 1
272 1 48 LYS HB2 1 49 GLY H 5.500 . 5.500 3.893 2.973 4.151 . 0 0 "[ . 1 . 2]" 1
273 1 48 LYS H 1 49 GLY H 5.500 . 5.500 2.829 2.789 2.875 . 0 0 "[ . 1 . 2]" 1
274 1 49 GLY H 1 49 GLY HA3 2.800 . 2.800 2.495 2.486 2.509 . 0 0 "[ . 1 . 2]" 1
275 1 49 GLY HA2 1 50 VAL H 4.000 . 4.000 3.301 3.034 3.468 . 0 0 "[ . 1 . 2]" 1
276 1 49 GLY H 1 50 VAL H 3.400 . 3.400 2.224 2.000 2.610 . 0 0 "[ . 1 . 2]" 1
277 1 50 VAL H 1 50 VAL HB 2.800 . 2.800 2.439 2.340 2.805 0.005 17 0 "[ . 1 . 2]" 1
278 1 50 VAL HA 1 51 GLU H 2.800 . 2.800 2.122 2.094 2.147 . 0 0 "[ . 1 . 2]" 1
279 1 50 VAL HB 1 51 GLU H 5.500 . 5.500 4.245 4.159 4.357 . 0 0 "[ . 1 . 2]" 1
280 1 50 VAL MG1 1 51 GLU H 5.500 . 5.500 3.062 2.525 3.952 . 0 0 "[ . 1 . 2]" 1
281 1 50 VAL MG2 1 51 GLU H 5.500 . 5.500 3.599 2.403 4.079 . 0 0 "[ . 1 . 2]" 1
282 1 50 VAL H 1 51 GLU H 5.500 . 5.500 4.513 4.337 4.604 . 0 0 "[ . 1 . 2]" 1
283 1 51 GLU H 1 51 GLU HB3 2.800 . 2.800 2.484 2.403 2.789 . 0 0 "[ . 1 . 2]" 1
284 1 51 GLU HA 1 52 VAL H 2.800 . 2.800 2.233 2.204 2.259 . 0 0 "[ . 1 . 2]" 1
285 1 51 GLU H 1 52 VAL H 5.500 . 5.500 4.220 4.164 4.263 . 0 0 "[ . 1 . 2]" 1
286 1 52 VAL H 1 52 VAL HB 4.000 . 4.000 2.976 2.593 3.620 . 0 0 "[ . 1 . 2]" 1
287 1 52 VAL H 1 52 VAL MG2 3.400 . 3.400 3.095 1.935 3.721 0.321 12 0 "[ . 1 . 2]" 1
288 1 52 VAL HA 1 53 ASP H 2.800 . 2.800 2.394 2.363 2.418 . 0 0 "[ . 1 . 2]" 1
289 1 52 VAL HB 1 53 ASP H 5.500 . 5.500 3.579 2.690 4.065 . 0 0 "[ . 1 . 2]" 1
290 1 52 VAL H 1 53 ASP H 5.500 . 5.500 4.640 4.628 4.651 . 0 0 "[ . 1 . 2]" 1
291 1 53 ASP H 1 53 ASP HB3 4.000 . 4.000 3.514 2.693 3.581 . 0 0 "[ . 1 . 2]" 1
292 1 53 ASP H 1 53 ASP HB2 3.400 . 3.400 2.340 2.238 3.581 0.181 16 0 "[ . 1 . 2]" 1
293 1 53 ASP HA 1 54 SER H 4.000 . 4.000 2.587 2.547 2.643 . 0 0 "[ . 1 . 2]" 1
294 1 53 ASP HB3 1 54 SER H 3.400 . 3.400 2.208 2.038 3.559 0.159 16 0 "[ . 1 . 2]" 1
295 1 53 ASP HB2 1 54 SER H 3.400 . 3.400 3.326 2.055 3.440 0.040 9 0 "[ . 1 . 2]" 1
296 1 53 ASP H 1 54 SER H 5.500 . 5.500 4.495 4.451 4.518 . 0 0 "[ . 1 . 2]" 1
297 1 54 SER H 1 54 SER HB3 3.400 . 3.400 3.269 2.602 3.534 0.134 2 0 "[ . 1 . 2]" 1
298 1 52 VAL HB 1 56 GLY H 6.000 . 6.000 5.296 3.957 6.036 0.036 11 0 "[ . 1 . 2]" 1
299 1 52 VAL MG2 1 56 GLY H 4.000 . 4.000 3.333 2.721 4.163 0.163 16 0 "[ . 1 . 2]" 1
300 1 53 ASP HA 1 56 GLY H 5.500 . 5.500 4.803 4.775 4.830 . 0 0 "[ . 1 . 2]" 1
301 1 53 ASP H 1 56 GLY H 5.500 . 5.500 3.528 3.456 3.671 . 0 0 "[ . 1 . 2]" 1
302 1 54 SER HB2 1 56 GLY H 5.500 . 5.500 5.453 5.320 5.590 0.090 16 0 "[ . 1 . 2]" 1
303 1 55 ASN HA 1 56 GLY H 3.400 . 3.400 3.430 3.393 3.453 0.053 19 0 "[ . 1 . 2]" 1
304 1 55 ASN HB2 1 56 GLY H 5.500 . 5.500 4.072 3.935 4.214 . 0 0 "[ . 1 . 2]" 1
305 1 56 GLY H 1 56 GLY HA2 2.800 . 2.800 2.380 2.364 2.396 . 0 0 "[ . 1 . 2]" 1
306 1 24 VAL H 1 57 GLU HA 4.000 . 4.000 4.041 3.802 4.149 0.149 8 0 "[ . 1 . 2]" 1
307 1 53 ASP H 1 57 GLU H 5.500 . 5.500 3.071 2.968 3.210 . 0 0 "[ . 1 . 2]" 1
308 1 56 GLY H 1 57 GLU HG3 5.500 . 5.500 4.178 3.959 4.388 . 0 0 "[ . 1 . 2]" 1
309 1 56 GLY H 1 57 GLU H 3.400 . 3.400 2.319 2.246 2.409 . 0 0 "[ . 1 . 2]" 1
310 1 21 LYS HA 1 58 ILE H 5.500 . 5.500 4.659 4.414 4.878 . 0 0 "[ . 1 . 2]" 1
311 1 22 VAL H 1 58 ILE H 5.500 . 5.500 2.824 2.637 3.032 . 0 0 "[ . 1 . 2]" 1
312 1 23 SER HA 1 58 ILE H 5.500 . 5.500 3.495 3.238 3.796 . 0 0 "[ . 1 . 2]" 1
313 1 57 GLU H 1 58 ILE H 5.500 . 5.500 4.500 4.476 4.524 . 0 0 "[ . 1 . 2]" 1
314 1 53 ASP H 1 58 ILE MD 4.000 . 4.000 3.779 3.417 3.879 . 0 0 "[ . 1 . 2]" 1
315 1 57 GLU HA 1 58 ILE H 2.800 . 2.800 2.189 2.169 2.216 . 0 0 "[ . 1 . 2]" 1
316 1 57 GLU HB3 1 58 ILE H 3.400 . 3.400 3.196 3.010 3.309 . 0 0 "[ . 1 . 2]" 1
317 1 57 GLU HB2 1 58 ILE H 5.500 . 5.500 4.196 4.077 4.260 . 0 0 "[ . 1 . 2]" 1
318 1 58 ILE H 1 58 ILE HB 3.400 . 3.400 2.528 2.449 2.591 . 0 0 "[ . 1 . 2]" 1
319 1 58 ILE H 1 58 ILE MD 5.500 . 5.500 2.376 2.199 2.660 . 0 0 "[ . 1 . 2]" 1
320 1 58 ILE H 1 58 ILE HG13 5.500 . 5.500 3.709 3.590 3.914 . 0 0 "[ . 1 . 2]" 1
321 1 21 LYS H 1 59 ASP HA 5.500 . 5.500 5.565 5.360 5.654 0.154 20 0 "[ . 1 . 2]" 1
322 1 52 VAL HA 1 59 ASP H 5.500 . 5.500 5.564 5.295 5.654 0.154 5 0 "[ . 1 . 2]" 1
323 1 58 ILE HA 1 59 ASP H 2.800 . 2.800 2.329 2.220 2.518 . 0 0 "[ . 1 . 2]" 1
324 1 58 ILE HB 1 59 ASP H 4.000 . 4.000 3.981 3.680 4.160 0.160 10 0 "[ . 1 . 2]" 1
325 1 58 ILE HG13 1 59 ASP H 5.500 . 5.500 4.208 3.953 4.325 . 0 0 "[ . 1 . 2]" 1
326 1 58 ILE MG 1 59 ASP H 5.500 . 5.500 2.231 1.876 2.537 . 0 0 "[ . 1 . 2]" 1
327 1 58 ILE H 1 59 ASP H 5.500 . 5.500 4.442 4.393 4.500 . 0 0 "[ . 1 . 2]" 1
328 1 59 ASP H 1 59 ASP HB3 2.800 . 2.800 2.558 2.455 2.827 0.027 9 0 "[ . 1 . 2]" 1
329 1 59 ASP H 1 59 ASP HB2 4.000 . 4.000 2.611 2.139 3.555 . 0 0 "[ . 1 . 2]" 1
330 1 12 GLN H 1 60 TYR QE 5.500 . 5.500 3.910 3.228 4.734 . 0 0 "[ . 1 . 2]" 1
331 1 20 GLY H 1 60 TYR QE 5.500 . 5.500 3.768 3.280 4.333 . 0 0 "[ . 1 . 2]" 1
332 1 21 LYS H 1 60 TYR QE 5.500 . 5.500 3.902 3.219 4.730 . 0 0 "[ . 1 . 2]" 1
333 1 21 LYS HA 1 60 TYR H 5.500 . 5.500 3.463 3.020 3.777 . 0 0 "[ . 1 . 2]" 1
334 1 22 VAL H 1 57 GLU HB2 5.500 . 5.500 5.266 4.859 5.517 0.017 17 0 "[ . 1 . 2]" 1
335 1 22 VAL H 1 60 TYR QD 5.500 . 5.500 4.006 3.554 4.592 . 0 0 "[ . 1 . 2]" 1
336 1 59 ASP HA 1 60 TYR H 2.800 . 2.800 2.233 2.208 2.266 . 0 0 "[ . 1 . 2]" 1
337 1 59 ASP H 1 60 TYR H 5.500 . 5.500 4.429 4.351 4.492 . 0 0 "[ . 1 . 2]" 1
338 1 60 TYR H 1 60 TYR QD 3.400 . 3.400 2.028 1.947 2.181 . 0 0 "[ . 1 . 2]" 1
339 1 59 ASP HA 1 61 LYS H 5.500 . 5.500 3.877 3.715 4.025 . 0 0 "[ . 1 . 2]" 1
340 1 60 TYR QD 1 61 LYS H 5.500 . 5.500 2.961 2.643 3.335 . 0 0 "[ . 1 . 2]" 1
341 1 60 TYR H 1 61 LYS H 3.400 . 3.400 2.744 2.697 2.796 . 0 0 "[ . 1 . 2]" 1
342 1 61 LYS H 1 61 LYS HA 2.800 . 2.800 2.864 2.828 2.913 0.113 17 0 "[ . 1 . 2]" 1
343 1 61 LYS H 1 61 LYS HB2 2.800 . 2.800 2.076 1.961 2.416 . 0 0 "[ . 1 . 2]" 1
344 1 61 LYS H 1 61 LYS HG3 3.400 . 3.400 3.085 2.049 3.481 0.081 13 0 "[ . 1 . 2]" 1
345 1 61 LYS H 1 62 LYS H 3.400 . 3.400 2.640 2.430 2.932 . 0 0 "[ . 1 . 2]" 1
346 1 62 LYS H 1 62 LYS HB3 4.000 . 4.000 3.528 3.506 3.557 . 0 0 "[ . 1 . 2]" 1
347 1 62 LYS H 1 62 LYS HB2 4.000 . 4.000 2.289 2.201 2.349 . 0 0 "[ . 1 . 2]" 1
348 1 62 LYS H 1 62 LYS HG2 3.400 . 3.400 2.812 2.152 3.475 0.075 11 0 "[ . 1 . 2]" 1
349 1 58 ILE MG 1 63 PHE H 5.500 . 5.500 4.133 3.959 4.430 . 0 0 "[ . 1 . 2]" 1
350 1 60 TYR H 1 63 PHE H 5.500 . 5.500 5.117 4.927 5.394 . 0 0 "[ . 1 . 2]" 1
351 1 62 LYS HA 1 63 PHE H 5.500 . 5.500 3.579 3.567 3.590 . 0 0 "[ . 1 . 2]" 1
352 1 62 LYS HB2 1 63 PHE H 3.400 . 3.400 2.523 2.421 2.623 . 0 0 "[ . 1 . 2]" 1
353 1 63 PHE H 1 63 PHE HD1 6.000 . 6.000 4.424 4.321 4.546 . 0 0 "[ . 1 . 2]" 1
354 1 11 PHE H 1 64 ILE MD 5.500 . 5.500 4.933 4.264 5.584 0.084 1 0 "[ . 1 . 2]" 1
355 1 63 PHE H 1 64 ILE MG 5.500 . 5.500 5.296 3.831 5.805 0.305 7 0 "[ . 1 . 2]" 1
356 1 63 PHE H 1 64 ILE H 3.400 . 3.400 2.618 2.563 2.701 . 0 0 "[ . 1 . 2]" 1
357 1 63 PHE HB3 1 65 GLU H 5.500 . 5.500 5.320 5.266 5.382 . 0 0 "[ . 1 . 2]" 1
358 1 63 PHE H 1 65 GLU H 5.500 . 5.500 4.390 4.316 4.470 . 0 0 "[ . 1 . 2]" 1
359 1 64 ILE HA 1 65 GLU H 5.500 . 5.500 3.587 3.581 3.595 . 0 0 "[ . 1 . 2]" 1
360 1 64 ILE MG 1 65 GLU H 5.500 . 5.500 3.201 1.894 3.816 . 0 0 "[ . 1 . 2]" 1
361 1 64 ILE H 1 65 GLU H 2.800 . 2.800 2.538 2.505 2.579 . 0 0 "[ . 1 . 2]" 1
362 1 65 GLU H 1 65 GLU HB2 2.800 . 2.800 2.308 2.273 2.328 . 0 0 "[ . 1 . 2]" 1
363 1 65 GLU H 1 65 GLU HG3 5.500 . 5.500 2.478 2.103 3.466 . 0 0 "[ . 1 . 2]" 1
364 1 65 GLU H 1 65 GLU HG2 5.500 . 5.500 3.124 2.148 3.502 . 0 0 "[ . 1 . 2]" 1
365 1 63 PHE HA 1 66 ASP H 5.500 . 5.500 3.735 3.537 3.914 . 0 0 "[ . 1 . 2]" 1
366 1 65 GLU HA 1 66 ASP H 4.000 . 4.000 3.527 3.517 3.542 . 0 0 "[ . 1 . 2]" 1
367 1 65 GLU HB2 1 66 ASP H 2.800 . 2.800 2.880 2.839 2.900 0.100 20 0 "[ . 1 . 2]" 1
368 1 65 GLU H 1 66 ASP H 2.800 . 2.800 2.702 2.634 2.736 . 0 0 "[ . 1 . 2]" 1
369 1 66 ASP H 1 66 ASP HA 2.800 . 2.800 2.953 2.946 2.956 0.156 3 0 "[ . 1 . 2]" 1
370 1 66 ASP H 1 66 ASP HB3 2.800 . 2.800 2.558 2.429 2.720 . 0 0 "[ . 1 . 2]" 1
371 1 66 ASP H 1 66 ASP HB2 2.800 . 2.800 2.548 2.396 2.676 . 0 0 "[ . 1 . 2]" 1
372 1 63 PHE HA 1 67 VAL H 5.500 . 5.500 4.612 4.482 4.728 . 0 0 "[ . 1 . 2]" 1
373 1 65 GLU H 1 67 VAL H 5.500 . 5.500 4.060 4.008 4.135 . 0 0 "[ . 1 . 2]" 1
374 1 66 ASP H 1 67 VAL HB 5.500 . 5.500 4.381 4.339 4.460 . 0 0 "[ . 1 . 2]" 1
375 1 66 ASP H 1 67 VAL MG2 5.500 . 5.500 3.890 3.750 4.026 . 0 0 "[ . 1 . 2]" 1
376 1 66 ASP HA 1 67 VAL H 5.500 . 5.500 3.427 3.414 3.456 . 0 0 "[ . 1 . 2]" 1
377 1 66 ASP HB3 1 67 VAL H 5.500 . 5.500 3.264 3.183 3.320 . 0 0 "[ . 1 . 2]" 1
378 1 66 ASP HB2 1 67 VAL H 5.500 . 5.500 4.160 4.062 4.252 . 0 0 "[ . 1 . 2]" 1
379 1 66 ASP H 1 67 VAL H 3.400 . 3.400 2.400 2.370 2.423 . 0 0 "[ . 1 . 2]" 1
380 1 67 VAL H 1 67 VAL HB 4.000 . 4.000 2.291 2.256 2.342 . 0 0 "[ . 1 . 2]" 1
381 1 67 VAL H 1 67 VAL MG2 3.400 . 3.400 2.600 2.486 2.700 . 0 0 "[ . 1 . 2]" 1
382 1 7 PHE HD2 1 68 LEU H 6.000 . 6.000 6.059 5.912 6.127 0.127 3 0 "[ . 1 . 2]" 1
383 1 64 ILE HA 1 68 LEU H 5.500 . 5.500 3.678 3.257 3.860 . 0 0 "[ . 1 . 2]" 1
384 1 65 GLU H 1 68 LEU H 5.500 . 5.500 4.765 4.665 4.832 . 0 0 "[ . 1 . 2]" 1
385 1 66 ASP H 1 68 LEU H 6.000 . 6.000 4.023 3.921 4.137 . 0 0 "[ . 1 . 2]" 1
386 1 67 VAL HA 1 68 LEU H 5.500 . 5.500 3.536 3.514 3.571 . 0 0 "[ . 1 . 2]" 1
387 1 67 VAL H 1 68 LEU H 3.400 . 3.400 2.137 2.090 2.252 . 0 0 "[ . 1 . 2]" 1
388 1 68 LEU H 1 68 LEU HB3 4.000 . 4.000 3.360 2.925 3.533 . 0 0 "[ . 1 . 2]" 1
389 1 68 LEU H 1 68 LEU HB2 2.800 . 2.800 2.107 1.981 2.345 . 0 0 "[ . 1 . 2]" 1
390 1 65 GLU HA 1 69 ARG H 5.500 . 5.500 4.582 3.996 4.882 . 0 0 "[ . 1 . 2]" 1
391 1 66 ASP H 1 69 ARG HG3 6.000 . 6.000 5.145 4.685 5.629 . 0 0 "[ . 1 . 2]" 1
392 1 66 ASP H 1 69 ARG H 5.500 . 5.500 5.021 4.720 5.151 . 0 0 "[ . 1 . 2]" 1
393 1 67 VAL H 1 69 ARG H 4.000 . 4.000 3.634 3.476 3.696 . 0 0 "[ . 1 . 2]" 1
394 1 68 LEU HA 1 69 ARG H 3.400 . 3.400 3.479 3.452 3.499 0.099 6 0 "[ . 1 . 2]" 1
395 1 68 LEU HB2 1 69 ARG H 3.400 . 3.400 3.261 3.013 3.568 0.168 6 0 "[ . 1 . 2]" 1
396 1 68 LEU MD1 1 69 ARG H 5.500 . 5.500 4.740 4.268 4.972 . 0 0 "[ . 1 . 2]" 1
397 1 68 LEU H 1 69 ARG H 3.400 . 3.400 2.746 2.685 2.807 . 0 0 "[ . 1 . 2]" 1
398 1 69 ARG H 1 69 ARG HB2 4.000 . 4.000 2.195 2.007 2.335 . 0 0 "[ . 1 . 2]" 1
399 1 69 ARG H 1 69 ARG HD3 5.500 . 5.500 4.386 3.575 5.126 . 0 0 "[ . 1 . 2]" 1
400 1 69 ARG H 1 69 ARG HD2 5.500 . 5.500 4.412 3.813 4.961 . 0 0 "[ . 1 . 2]" 1
401 1 69 ARG H 1 69 ARG HG3 4.000 . 4.000 2.771 2.112 3.746 . 0 0 "[ . 1 . 2]" 1
402 1 7 PHE HA 1 11 PHE H 5.500 . 5.500 4.500 4.212 4.765 . 0 0 "[ . 1 . 2]" 1
403 1 8 VAL HA 1 11 PHE H 4.000 . 4.000 3.892 3.702 4.036 0.036 8 0 "[ . 1 . 2]" 1
404 1 24 VAL H 1 58 ILE MD 4.000 . 4.000 2.503 2.144 2.948 . 0 0 "[ . 1 . 2]" 1
405 1 24 VAL H 1 57 GLU QG 5.500 . 5.500 5.302 4.998 5.472 . 0 0 "[ . 1 . 2]" 1
406 1 62 LYS H 1 64 ILE H 4.000 . 4.000 4.035 3.971 4.143 0.143 10 0 "[ . 1 . 2]" 1
407 1 3 LYS H 1 5 GLU HB2 4.000 . 4.000 4.340 4.242 4.429 0.429 17 0 "[ . 1 . 2]" 1
408 1 8 VAL QG 1 9 LYS HA 6.000 . 6.000 3.432 3.305 3.555 . 0 0 "[ . 1 . 2]" 1
409 1 10 ALA MB 1 11 PHE QD 6.000 . 6.000 2.807 2.233 3.345 . 0 0 "[ . 1 . 2]" 1
410 1 8 VAL QG 1 12 GLN HE21 6.000 . 6.000 3.544 1.881 4.720 . 0 0 "[ . 1 . 2]" 1
411 1 8 VAL QG 1 12 GLN HG3 6.000 . 6.000 2.724 1.856 4.625 . 0 0 "[ . 1 . 2]" 1
412 1 9 LYS HA 1 13 VAL MG1 6.000 . 6.000 4.811 2.736 5.771 . 0 0 "[ . 1 . 2]" 1
413 1 12 GLN H 1 13 VAL MG2 6.000 . 6.000 4.949 4.061 6.210 0.210 11 0 "[ . 1 . 2]" 1
414 1 13 VAL MG1 1 14 PHE HA 6.000 . 6.000 3.857 3.420 5.534 . 0 0 "[ . 1 . 2]" 1
415 1 17 GLU HB3 1 19 THR MG 6.000 . 6.000 3.131 2.371 4.672 . 0 0 "[ . 1 . 2]" 1
416 1 17 GLU HB2 1 19 THR MG 6.000 . 6.000 2.673 2.143 3.818 . 0 0 "[ . 1 . 2]" 1
417 1 19 THR MG 1 21 LYS H 6.000 . 6.000 3.846 1.896 4.405 . 0 0 "[ . 1 . 2]" 1
418 1 11 PHE QD 1 22 VAL MG1 6.000 . 6.000 2.993 2.191 3.676 . 0 0 "[ . 1 . 2]" 1
419 1 21 LYS H 1 22 VAL MG1 6.000 . 6.000 3.842 3.572 5.921 . 0 0 "[ . 1 . 2]" 1
420 1 24 VAL MG1 1 25 GLY HA3 6.000 . 6.000 3.955 3.399 5.789 . 0 0 "[ . 1 . 2]" 1
421 1 24 VAL MG1 1 25 GLY HA2 6.000 . 6.000 3.636 3.197 5.490 . 0 0 "[ . 1 . 2]" 1
422 1 11 PHE QB 1 22 VAL MG1 6.000 . 6.000 3.612 2.685 5.035 . 0 0 "[ . 1 . 2]" 1
423 1 25 GLY HA3 1 26 ASP HB3 6.000 . 6.000 5.307 5.253 5.469 . 0 0 "[ . 1 . 2]" 1
424 1 25 GLY HA2 1 28 ARG HB3 6.000 . 6.000 3.608 3.176 3.914 . 0 0 "[ . 1 . 2]" 1
425 1 11 PHE HA 1 30 MET ME 6.000 . 6.000 4.303 3.670 4.693 . 0 0 "[ . 1 . 2]" 1
426 1 11 PHE QD 1 30 MET ME 6.000 . 6.000 4.566 4.106 4.915 . 0 0 "[ . 1 . 2]" 1
427 1 11 PHE QE 1 30 MET ME 6.000 . 6.000 4.479 4.057 4.852 . 0 0 "[ . 1 . 2]" 1
428 1 30 MET HA 1 30 MET ME 6.000 . 6.000 2.311 2.097 2.607 . 0 0 "[ . 1 . 2]" 1
429 1 33 GLY H 1 34 LEU HA 6.000 . 6.000 4.985 4.962 5.003 . 0 0 "[ . 1 . 2]" 1
430 1 34 LEU HA 1 35 GLY HA3 6.000 . 6.000 4.539 4.527 4.553 . 0 0 "[ . 1 . 2]" 1
431 1 39 THR HB 1 41 ALA MB 6.000 . 6.000 2.917 2.641 3.347 . 0 0 "[ . 1 . 2]" 1
432 1 40 ASP HB3 1 41 ALA MB 6.000 . 6.000 4.148 3.995 5.315 . 0 0 "[ . 1 . 2]" 1
433 1 49 GLY HA3 1 50 VAL H 6.000 . 6.000 3.316 3.185 3.533 . 0 0 "[ . 1 . 2]" 1
434 1 50 VAL MG1 1 52 VAL H 6.000 . 6.000 3.822 3.660 4.100 . 0 0 "[ . 1 . 2]" 1
435 1 52 VAL MG1 1 53 ASP H 6.000 . 6.000 3.761 3.619 3.961 . 0 0 "[ . 1 . 2]" 1
436 1 52 VAL MG1 1 56 GLY HA3 6.000 . 6.000 5.370 4.993 5.575 . 0 0 "[ . 1 . 2]" 1
437 1 52 VAL MG1 1 56 GLY HA2 6.000 . 6.000 3.974 3.529 4.184 . 0 0 "[ . 1 . 2]" 1
438 1 52 VAL MG1 1 57 GLU H 6.000 . 6.000 5.207 4.938 5.446 . 0 0 "[ . 1 . 2]" 1
439 1 56 GLY HA3 1 57 GLU HA 6.000 . 6.000 4.559 4.549 4.574 . 0 0 "[ . 1 . 2]" 1
440 1 56 GLY HA2 1 57 GLU HA 6.000 . 6.000 4.594 4.579 4.612 . 0 0 "[ . 1 . 2]" 1
441 1 24 VAL HA 1 58 ILE MD 6.000 . 6.000 3.337 3.000 4.000 . 0 0 "[ . 1 . 2]" 1
442 1 24 VAL HB 1 58 ILE MD 6.000 . 6.000 2.546 1.871 4.152 . 0 0 "[ . 1 . 2]" 1
443 1 50 VAL MG1 1 58 ILE MG 6.000 . 6.000 2.842 1.995 4.209 . 0 0 "[ . 1 . 2]" 1
444 1 52 VAL HA 1 58 ILE MG 6.000 . 6.000 4.156 3.923 4.415 . 0 0 "[ . 1 . 2]" 1
445 1 56 GLY HA3 1 58 ILE MD 6.000 . 6.000 4.204 4.110 4.394 . 0 0 "[ . 1 . 2]" 1
446 1 57 GLU HA 1 58 ILE MD 6.000 . 6.000 2.748 2.664 2.899 . 0 0 "[ . 1 . 2]" 1
447 1 20 GLY QA 1 59 ASP HA 6.000 . 6.000 5.127 4.901 5.272 . 0 0 "[ . 1 . 2]" 1
448 1 58 ILE MG 1 59 ASP HA 6.000 . 6.000 4.064 3.805 4.247 . 0 0 "[ . 1 . 2]" 1
449 1 8 VAL QG 1 60 TYR QE 6.000 . 6.000 3.406 2.660 3.840 . 0 0 "[ . 1 . 2]" 1
450 1 20 GLY QA 1 60 TYR QE 6.000 . 6.000 1.962 1.933 2.093 . 0 0 "[ . 1 . 2]" 1
451 1 22 VAL MG1 1 60 TYR HB3 6.000 . 6.000 3.046 2.591 4.128 . 0 0 "[ . 1 . 2]" 1
452 1 8 VAL QG 1 61 LYS HE3 6.000 . 6.000 3.427 2.437 5.000 . 0 0 "[ . 1 . 2]" 1
453 1 50 VAL MG1 1 63 PHE HD1 6.000 . 6.000 4.211 3.482 5.602 . 0 0 "[ . 1 . 2]" 1
454 1 58 ILE MG 1 63 PHE HB3 6.000 . 6.000 3.924 3.601 4.146 . 0 0 "[ . 1 . 2]" 1
455 1 58 ILE MG 1 63 PHE HD2 6.000 . 6.000 4.619 4.283 4.982 . 0 0 "[ . 1 . 2]" 1
456 1 7 PHE HB3 1 64 ILE MD 6.000 . 6.000 2.697 1.972 3.772 . 0 0 "[ . 1 . 2]" 1
457 1 7 PHE HB2 1 64 ILE MD 6.000 . 6.000 4.009 3.032 5.088 . 0 0 "[ . 1 . 2]" 1
458 1 7 PHE HB3 1 64 ILE MG 6.000 . 6.000 2.554 1.948 4.259 . 0 0 "[ . 1 . 2]" 1
459 1 8 VAL HA 1 64 ILE MD 6.000 . 6.000 4.501 2.878 6.068 0.068 20 0 "[ . 1 . 2]" 1
460 1 11 PHE QD 1 64 ILE MG 6.000 . 6.000 4.304 3.685 5.098 . 0 0 "[ . 1 . 2]" 1
461 1 60 TYR QD 1 64 ILE MD 6.000 . 6.000 3.035 2.124 4.929 . 0 0 "[ . 1 . 2]" 1
462 1 60 TYR HA 1 64 ILE MG 6.000 . 6.000 5.321 3.320 6.060 0.060 3 0 "[ . 1 . 2]" 1
463 1 61 LYS HA 1 64 ILE MD 6.000 . 6.000 3.204 1.919 5.219 . 0 0 "[ . 1 . 2]" 1
464 1 61 LYS HA 1 64 ILE MG 6.000 . 6.000 3.876 2.029 4.523 . 0 0 "[ . 1 . 2]" 1
465 1 63 PHE HD1 1 67 VAL MG2 6.000 . 6.000 3.628 3.468 3.746 . 0 0 "[ . 1 . 2]" 1
466 1 66 ASP HB2 1 67 VAL MG2 6.000 . 6.000 4.619 4.428 4.757 . 0 0 "[ . 1 . 2]" 1
467 1 67 VAL MG1 1 68 LEU H 6.000 . 6.000 3.305 3.136 3.425 . 0 0 "[ . 1 . 2]" 1
468 1 67 VAL MG2 1 68 LEU H 6.000 . 6.000 3.871 3.798 3.943 . 0 0 "[ . 1 . 2]" 1
469 1 2 ALA HA 1 3 LYS HB3 6.000 . 6.000 5.450 4.372 5.681 . 0 0 "[ . 1 . 2]" 1
470 1 4 THR HA 1 5 GLU H 6.000 . 6.000 3.504 3.495 3.510 . 0 0 "[ . 1 . 2]" 1
471 1 4 THR HA 1 7 PHE HD2 6.000 . 6.000 4.091 3.138 6.032 0.032 16 0 "[ . 1 . 2]" 1
472 1 4 THR MG 1 7 PHE HD2 6.000 . 6.000 4.747 4.175 5.376 . 0 0 "[ . 1 . 2]" 1
473 1 4 THR HA 1 8 VAL QG 6.000 . 6.000 3.428 3.336 3.921 . 0 0 "[ . 1 . 2]" 1
474 1 5 GLU HA 1 8 VAL HA 6.000 . 6.000 5.312 5.182 5.706 . 0 0 "[ . 1 . 2]" 1
475 1 5 GLU HA 1 8 VAL HB 6.000 . 6.000 2.482 2.255 4.533 . 0 0 "[ . 1 . 2]" 1
476 1 7 PHE HB3 1 8 VAL HA 6.000 . 6.000 4.019 3.859 4.217 . 0 0 "[ . 1 . 2]" 1
477 1 7 PHE HD2 1 8 VAL QG 6.000 . 6.000 5.152 4.542 5.480 . 0 0 "[ . 1 . 2]" 1
478 1 8 VAL HA 1 9 LYS H 6.000 . 6.000 3.588 3.567 3.604 . 0 0 "[ . 1 . 2]" 1
479 1 7 PHE HA 1 10 ALA MB 6.000 . 6.000 2.661 2.313 3.079 . 0 0 "[ . 1 . 2]" 1
480 1 8 VAL HA 1 11 PHE HB3 6.000 . 6.000 5.266 4.715 5.621 . 0 0 "[ . 1 . 2]" 1
481 1 8 VAL HA 1 11 PHE HB2 6.000 . 6.000 3.669 3.307 3.922 . 0 0 "[ . 1 . 2]" 1
482 1 10 ALA HA 1 11 PHE H 6.000 . 6.000 3.609 3.599 3.626 . 0 0 "[ . 1 . 2]" 1
483 1 10 ALA HA 1 13 VAL MG1 6.000 . 6.000 4.160 2.680 5.097 . 0 0 "[ . 1 . 2]" 1
484 1 10 ALA HA 1 13 VAL H 6.000 . 6.000 4.526 4.358 4.682 . 0 0 "[ . 1 . 2]" 1
485 1 12 GLN HA 1 13 VAL HA 6.000 . 6.000 4.828 4.798 4.873 . 0 0 "[ . 1 . 2]" 1
486 1 13 VAL HA 1 15 ASP H 6.000 . 6.000 4.515 3.580 4.869 . 0 0 "[ . 1 . 2]" 1
487 1 14 PHE HA 1 15 ASP H 6.000 . 6.000 3.546 3.097 3.609 . 0 0 "[ . 1 . 2]" 1
488 1 14 PHE HB3 1 15 ASP H 6.000 . 6.000 2.689 2.265 4.238 . 0 0 "[ . 1 . 2]" 1
489 1 14 PHE HB2 1 15 ASP H 6.000 . 6.000 3.556 2.644 4.418 . 0 0 "[ . 1 . 2]" 1
490 1 14 PHE HB3 1 22 VAL MG1 6.000 . 6.000 4.301 3.892 4.945 . 0 0 "[ . 1 . 2]" 1
491 1 24 VAL HA 1 25 GLY H 6.000 . 6.000 3.585 3.576 3.592 . 0 0 "[ . 1 . 2]" 1
492 1 24 VAL HA 1 27 LEU HB3 6.000 . 6.000 2.250 2.028 2.375 . 0 0 "[ . 1 . 2]" 1
493 1 24 VAL HA 1 27 LEU HB2 6.000 . 6.000 3.324 3.103 3.533 . 0 0 "[ . 1 . 2]" 1
494 1 24 VAL HA 1 27 LEU MD1 6.000 . 6.000 3.861 3.203 4.899 . 0 0 "[ . 1 . 2]" 1
495 1 7 PHE HA 1 31 LEU MD1 6.000 . 6.000 5.101 3.959 5.698 . 0 0 "[ . 1 . 2]" 1
496 1 10 ALA HA 1 34 LEU MD1 6.000 . 6.000 4.201 3.409 5.561 . 0 0 "[ . 1 . 2]" 1
497 1 60 TYR HA 1 63 PHE HB2 6.000 . 6.000 4.060 3.663 4.616 . 0 0 "[ . 1 . 2]" 1
498 1 7 PHE HB3 1 64 ILE HB 6.000 . 6.000 4.255 3.139 5.365 . 0 0 "[ . 1 . 2]" 1
499 1 63 PHE HB2 1 64 ILE H 6.000 . 6.000 3.948 3.870 4.070 . 0 0 "[ . 1 . 2]" 1
500 1 8 VAL QG 1 64 ILE QG 6.000 . 6.000 5.302 4.234 5.861 . 0 0 "[ . 1 . 2]" 1
501 1 12 GLN HA 1 15 ASP HA 6.000 . 6.000 5.282 4.930 5.580 . 0 0 "[ . 1 . 2]" 1
502 1 14 PHE HA 1 15 ASP HA 6.000 . 6.000 4.807 4.549 4.901 . 0 0 "[ . 1 . 2]" 1
503 1 15 ASP HA 1 16 LYS HB3 6.000 . 6.000 5.523 4.806 5.850 . 0 0 "[ . 1 . 2]" 1
504 1 19 THR HB 1 21 LYS HB2 6.000 . 6.000 3.746 3.280 5.028 . 0 0 "[ . 1 . 2]" 1
505 1 19 THR HA 1 21 LYS H 6.000 . 6.000 4.643 4.581 4.733 . 0 0 "[ . 1 . 2]" 1
506 1 20 GLY QA 1 21 LYS HG2 6.000 . 6.000 4.389 3.328 5.533 . 0 0 "[ . 1 . 2]" 1
507 1 21 LYS HA 1 21 LYS HD3 4.000 . 4.000 3.623 2.054 4.114 0.114 5 0 "[ . 1 . 2]" 1
508 1 11 PHE QD 1 22 VAL MG2 6.000 . 6.000 3.212 1.944 3.843 . 0 0 "[ . 1 . 2]" 1
509 1 15 ASP HA 1 22 VAL MG1 6.000 . 6.000 4.750 4.172 6.052 0.052 10 0 "[ . 1 . 2]" 1
510 1 21 LYS HA 1 22 VAL MG2 6.000 . 6.000 3.417 3.362 3.485 . 0 0 "[ . 1 . 2]" 1
511 1 22 VAL MG2 1 23 SER H 6.000 . 6.000 3.629 3.505 3.883 . 0 0 "[ . 1 . 2]" 1
512 1 23 SER HA 1 24 VAL HB 6.000 . 6.000 4.761 4.523 5.834 . 0 0 "[ . 1 . 2]" 1
513 1 23 SER HA 1 24 VAL MG2 6.000 . 6.000 5.003 3.577 5.526 . 0 0 "[ . 1 . 2]" 1
514 1 23 SER HB2 1 25 GLY HA3 6.000 . 6.000 4.160 4.054 4.214 . 0 0 "[ . 1 . 2]" 1
515 1 23 SER HB2 1 25 GLY HA2 6.000 . 6.000 5.372 5.270 5.422 . 0 0 "[ . 1 . 2]" 1
516 1 23 SER HA 1 26 ASP HB3 6.000 . 6.000 5.084 4.970 5.271 . 0 0 "[ . 1 . 2]" 1
517 1 23 SER HA 1 26 ASP HB2 6.000 . 6.000 5.721 5.531 5.817 . 0 0 "[ . 1 . 2]" 1
518 1 24 VAL HB 1 26 ASP H 6.000 . 6.000 5.731 5.055 5.901 . 0 0 "[ . 1 . 2]" 1
519 1 11 PHE QE 1 27 LEU HA 6.000 . 6.000 2.021 1.950 2.412 . 0 0 "[ . 1 . 2]" 1
520 1 11 PHE QD 1 27 LEU MD1 6.000 . 6.000 3.610 2.393 4.619 . 0 0 "[ . 1 . 2]" 1
521 1 27 LEU MD1 1 63 PHE HD2 6.000 . 6.000 3.379 2.669 4.211 . 0 0 "[ . 1 . 2]" 1
522 1 11 PHE QD 1 27 LEU MD2 6.000 . 6.000 5.261 4.757 5.661 . 0 0 "[ . 1 . 2]" 1
523 1 22 VAL HB 1 27 LEU HA 4.000 . 4.000 4.112 4.056 4.196 0.196 11 0 "[ . 1 . 2]" 1
524 1 26 ASP HB3 1 27 LEU HA 6.000 . 6.000 4.136 4.014 4.173 . 0 0 "[ . 1 . 2]" 1
525 1 26 ASP HA 1 27 LEU HB3 6.000 . 6.000 5.730 5.692 5.763 . 0 0 "[ . 1 . 2]" 1
526 1 27 LEU HA 1 27 LEU MD2 4.000 . 4.000 3.531 3.246 3.883 . 0 0 "[ . 1 . 2]" 1
527 1 27 LEU MD2 1 28 ARG HA 6.000 . 6.000 3.114 2.554 4.515 . 0 0 "[ . 1 . 2]" 1
528 1 27 LEU MD1 1 28 ARG H 6.000 . 6.000 4.492 4.439 4.647 . 0 0 "[ . 1 . 2]" 1
529 1 27 LEU MD2 1 28 ARG H 6.000 . 6.000 3.019 2.536 3.868 . 0 0 "[ . 1 . 2]" 1
530 1 26 ASP HA 1 29 TYR HB3 4.000 . 4.000 2.744 2.607 2.949 . 0 0 "[ . 1 . 2]" 1
531 1 28 ARG HA 1 30 MET HB2 6.000 . 6.000 5.597 5.402 5.785 . 0 0 "[ . 1 . 2]" 1
532 1 29 TYR HB3 1 30 MET HA 6.000 . 6.000 4.228 4.080 4.321 . 0 0 "[ . 1 . 2]" 1
533 1 29 TYR QD 1 30 MET HA 6.000 . 6.000 3.204 2.930 3.909 . 0 0 "[ . 1 . 2]" 1
534 1 29 TYR HB3 1 30 MET HB2 6.000 . 6.000 4.177 4.028 4.325 . 0 0 "[ . 1 . 2]" 1
535 1 30 MET HB2 1 30 MET ME 4.000 . 4.000 3.377 3.347 3.405 . 0 0 "[ . 1 . 2]" 1
536 1 30 MET HA 1 30 MET HG2 2.800 . 2.800 2.026 1.996 2.067 . 0 0 "[ . 1 . 2]" 1
537 1 30 MET H 1 30 MET ME 6.000 . 6.000 4.371 4.287 4.487 . 0 0 "[ . 1 . 2]" 1
538 1 7 PHE HE1 1 31 LEU MD1 . . 4.000 2.701 1.927 4.170 0.170 16 0 "[ . 1 . 2]" 1
539 1 11 PHE QD 1 31 LEU HA 6.000 . 6.000 5.734 5.398 5.955 . 0 0 "[ . 1 . 2]" 1
540 1 11 PHE QE 1 31 LEU HA 6.000 . 6.000 3.857 3.604 4.099 . 0 0 "[ . 1 . 2]" 1
541 1 11 PHE QD 1 31 LEU MD1 6.000 . 6.000 4.270 3.836 5.165 . 0 0 "[ . 1 . 2]" 1
542 1 11 PHE QE 1 31 LEU MD1 6.000 . 6.000 2.342 1.873 3.227 . 0 0 "[ . 1 . 2]" 1
543 1 27 LEU MD2 1 31 LEU H 6.000 . 6.000 4.647 3.915 5.987 . 0 0 "[ . 1 . 2]" 1
544 1 28 ARG HA 1 31 LEU HB2 4.000 . 4.000 2.841 2.482 3.126 . 0 0 "[ . 1 . 2]" 1
545 1 31 LEU HA 1 31 LEU MD1 4.000 . 4.000 2.226 1.921 2.814 . 0 0 "[ . 1 . 2]" 1
546 1 31 LEU HB3 1 32 THR HA 6.000 . 6.000 4.059 3.924 4.329 . 0 0 "[ . 1 . 2]" 1
547 1 31 LEU HG 1 32 THR HA 6.000 . 6.000 4.871 3.694 6.020 0.020 8 0 "[ . 1 . 2]" 1
548 1 31 LEU H 1 32 THR HB 6.000 . 6.000 5.102 4.791 6.166 0.166 17 0 "[ . 1 . 2]" 1
549 1 32 THR HB 1 33 GLY H 6.000 . 6.000 3.048 2.716 4.150 . 0 0 "[ . 1 . 2]" 1
550 1 7 PHE HD1 1 34 LEU MD2 4.000 . 4.000 3.559 2.101 4.112 0.112 12 0 "[ . 1 . 2]" 1
551 1 30 MET ME 1 34 LEU MD1 6.000 . 6.000 3.283 2.473 4.698 . 0 0 "[ . 1 . 2]" 1
552 1 31 LEU HA 1 34 LEU HB2 4.000 . 4.000 2.632 2.398 3.049 . 0 0 "[ . 1 . 2]" 1
553 1 31 LEU HA 1 36 GLU HB2 4.000 . 4.000 3.591 3.140 4.123 0.123 9 0 "[ . 1 . 2]" 1
554 1 31 LEU HA 1 34 LEU H 4.000 . 4.000 3.264 3.125 3.548 . 0 0 "[ . 1 . 2]" 1
555 1 32 THR HA 1 34 LEU H 4.000 . 4.000 3.974 3.822 4.044 0.044 15 0 "[ . 1 . 2]" 1
556 1 33 GLY HA3 1 34 LEU MD2 6.000 . 6.000 5.746 4.280 6.191 0.191 13 0 "[ . 1 . 2]" 1
557 1 34 LEU HA 1 34 LEU MD1 4.000 . 4.000 3.217 2.038 3.714 . 0 0 "[ . 1 . 2]" 1
558 1 33 GLY HA2 1 35 GLY H 6.000 . 6.000 3.757 3.721 3.799 . 0 0 "[ . 1 . 2]" 1
559 1 35 GLY HA2 1 36 GLU HA 6.000 . 6.000 4.569 4.559 4.581 . 0 0 "[ . 1 . 2]" 1
560 1 34 LEU MD1 1 35 GLY H 6.000 . 6.000 5.102 4.219 5.451 . 0 0 "[ . 1 . 2]" 1
561 1 37 LYS HA 1 37 LYS HB3 2.800 . 2.800 2.546 2.417 2.606 . 0 0 "[ . 1 . 2]" 1
562 1 37 LYS HA 1 37 LYS HG2 4.000 . 4.000 2.534 2.245 3.675 . 0 0 "[ . 1 . 2]" 1
563 1 32 THR MG 1 33 GLY HA2 6.000 . 6.000 4.124 3.486 5.534 . 0 0 "[ . 1 . 2]" 1
564 1 23 SER HA 1 57 GLU HG3 6.000 . 6.000 4.481 4.180 4.716 . 0 0 "[ . 1 . 2]" 1
565 1 21 LYS HA 1 59 ASP HA 6.000 . 6.000 2.839 2.684 2.989 . 0 0 "[ . 1 . 2]" 1
566 1 21 LYS HA 1 60 TYR QD 6.000 . 6.000 3.284 3.138 3.581 . 0 0 "[ . 1 . 2]" 1
567 1 22 VAL MG2 1 60 TYR QD 6.000 . 6.000 2.644 1.929 3.586 . 0 0 "[ . 1 . 2]" 1
568 1 27 LEU MD1 1 60 TYR HA 6.000 . 6.000 2.107 1.905 2.405 . 0 0 "[ . 1 . 2]" 1
569 1 37 LYS HB3 1 38 LEU HA 6.000 . 6.000 5.093 4.955 6.030 0.030 1 0 "[ . 1 . 2]" 1
570 1 37 LYS H 1 38 LEU HA 6.000 . 6.000 4.594 4.562 4.625 . 0 0 "[ . 1 . 2]" 1
571 1 38 LEU HA 1 38 LEU MD2 4.000 . 4.000 2.049 1.961 2.153 . 0 0 "[ . 1 . 2]" 1
572 1 38 LEU HA 1 38 LEU HG 4.000 . 4.000 2.958 2.852 3.026 . 0 0 "[ . 1 . 2]" 1
573 1 38 LEU HB2 1 39 THR H 6.000 . 6.000 3.983 3.960 4.026 . 0 0 "[ . 1 . 2]" 1
574 1 39 THR HA 1 39 THR HB 2.800 . 2.800 2.901 2.510 3.022 0.222 14 0 "[ . 1 . 2]" 1
575 1 39 THR H 1 39 THR MG 4.000 . 4.000 3.570 2.638 3.833 . 0 0 "[ . 1 . 2]" 1
576 1 39 THR HB 1 41 ALA HA 6.000 . 6.000 5.395 5.290 5.637 . 0 0 "[ . 1 . 2]" 1
577 1 39 THR HA 1 41 ALA H 6.000 . 6.000 4.088 4.069 4.117 . 0 0 "[ . 1 . 2]" 1
578 1 40 ASP HA 1 41 ALA H 4.000 . 4.000 3.534 3.507 3.537 . 0 0 "[ . 1 . 2]" 1
579 1 40 ASP HA 1 43 VAL MG2 4.000 . 4.000 3.178 3.080 3.273 . 0 0 "[ . 1 . 2]" 1
580 1 42 GLU HA 1 43 VAL HA 6.000 . 6.000 4.890 4.792 4.911 . 0 0 "[ . 1 . 2]" 1
581 1 43 VAL MG2 1 44 ASP HA 6.000 . 6.000 5.468 5.455 5.486 . 0 0 "[ . 1 . 2]" 1
582 1 44 ASP HA 1 44 ASP HB2 2.800 . 2.800 2.485 2.477 2.518 . 0 0 "[ . 1 . 2]" 1
583 1 43 VAL HA 1 46 LEU HB2 6.000 . 6.000 2.676 2.555 3.181 . 0 0 "[ . 1 . 2]" 1
584 1 43 VAL HA 1 46 LEU MD1 6.000 . 6.000 3.422 2.016 5.277 . 0 0 "[ . 1 . 2]" 1
585 1 43 VAL HA 1 46 LEU HG 6.000 . 6.000 4.291 3.216 5.222 . 0 0 "[ . 1 . 2]" 1
586 1 46 LEU H 1 46 LEU HB2 4.000 . 4.000 2.149 1.963 2.372 . 0 0 "[ . 1 . 2]" 1
587 1 44 ASP HA 1 47 LEU HB2 2.800 . 2.800 2.452 2.352 2.614 . 0 0 "[ . 1 . 2]" 1
588 1 44 ASP HA 1 47 LEU H 4.000 . 4.000 3.491 3.408 3.611 . 0 0 "[ . 1 . 2]" 1
589 1 47 LEU HA 1 47 LEU HB3 2.800 . 2.800 2.587 2.545 2.619 . 0 0 "[ . 1 . 2]" 1
590 1 47 LEU HB2 1 47 LEU MD1 2.800 . 2.800 2.250 2.063 2.328 . 0 0 "[ . 1 . 2]" 1
591 1 47 LEU HA 1 47 LEU MD2 4.000 . 4.000 2.142 1.960 2.540 . 0 0 "[ . 1 . 2]" 1
592 1 47 LEU HA 1 48 LYS H 4.000 . 4.000 3.483 3.469 3.500 . 0 0 "[ . 1 . 2]" 1
593 1 47 LEU HB2 1 48 LYS H 6.000 . 6.000 3.078 2.933 3.180 . 0 0 "[ . 1 . 2]" 1
594 1 47 LEU MD1 1 50 VAL H 6.000 . 6.000 6.069 5.976 6.233 0.233 8 0 "[ . 1 . 2]" 1
595 1 46 LEU HA 1 49 GLY H 6.000 . 6.000 4.390 4.227 4.643 . 0 0 "[ . 1 . 2]" 1
596 1 47 LEU HA 1 50 VAL HB 2.800 . 2.800 2.505 2.143 2.785 . 0 0 "[ . 1 . 2]" 1
597 1 47 LEU HB3 1 50 VAL HB 6.000 . 6.000 4.018 3.622 5.084 . 0 0 "[ . 1 . 2]" 1
598 1 51 GLU HA 1 51 GLU HB2 2.800 . 2.800 2.514 2.463 2.615 . 0 0 "[ . 1 . 2]" 1
599 1 51 GLU HA 1 51 GLU HG3 2.800 . 2.800 2.524 2.229 3.490 0.690 11 1 "[ . 1+ . 2]" 1
600 1 52 VAL H 1 52 VAL MG1 4.000 . 4.000 2.107 1.928 2.375 . 0 0 "[ . 1 . 2]" 1
601 1 55 ASN HA 1 55 ASN HB2 2.800 . 2.800 2.594 2.480 2.681 . 0 0 "[ . 1 . 2]" 1
602 1 55 ASN HB2 1 55 ASN HD22 4.000 . 4.000 3.644 3.515 3.947 . 0 0 "[ . 1 . 2]" 1
603 1 55 ASN H 1 55 ASN HB3 2.800 . 2.800 2.697 2.530 2.863 0.063 6 0 "[ . 1 . 2]" 1
604 1 55 ASN HA 1 56 GLY HA3 6.000 . 6.000 4.524 4.510 4.538 . 0 0 "[ . 1 . 2]" 1
605 1 23 SER HA 1 57 GLU HA 4.000 . 4.000 2.572 2.488 2.653 . 0 0 "[ . 1 . 2]" 1
606 1 52 VAL HA 1 57 GLU HA 6.000 . 6.000 6.002 5.869 6.067 0.067 20 0 "[ . 1 . 2]" 1
607 1 23 SER HA 1 57 GLU HG2 6.000 . 6.000 3.656 3.421 3.890 . 0 0 "[ . 1 . 2]" 1
608 1 53 ASP HB2 1 57 GLU H 6.000 . 6.000 3.055 2.789 4.727 . 0 0 "[ . 1 . 2]" 1
609 1 47 LEU MD2 1 50 VAL HB 6.000 . 6.000 2.722 2.286 3.941 . 0 0 "[ . 1 . 2]" 1
610 1 52 VAL HA 1 58 ILE HG13 2.800 . 2.800 2.428 2.324 2.519 . 0 0 "[ . 1 . 2]" 1
611 1 52 VAL H 1 58 ILE HG12 6.000 . 6.000 5.148 4.976 5.306 . 0 0 "[ . 1 . 2]" 1
612 1 57 GLU HA 1 58 ILE HG13 6.000 . 6.000 4.659 4.514 4.949 . 0 0 "[ . 1 . 2]" 1
613 1 57 GLU HG3 1 58 ILE H 6.000 . 6.000 4.956 4.883 5.026 . 0 0 "[ . 1 . 2]" 1
614 1 57 GLU HG2 1 58 ILE H 6.000 . 6.000 4.138 3.985 4.251 . 0 0 "[ . 1 . 2]" 1
615 1 21 LYS HG2 1 59 ASP HA 6.000 . 6.000 3.949 3.269 5.080 . 0 0 "[ . 1 . 2]" 1
616 1 58 ILE HA 1 59 ASP HB3 6.000 . 6.000 4.801 4.530 5.045 . 0 0 "[ . 1 . 2]" 1
617 1 58 ILE HA 1 59 ASP HB2 6.000 . 6.000 4.548 4.202 5.720 . 0 0 "[ . 1 . 2]" 1
618 1 59 ASP HA 1 60 TYR HB3 6.000 . 6.000 4.512 4.307 4.638 . 0 0 "[ . 1 . 2]" 1
619 1 60 TYR QD 1 61 LYS HA 6.000 . 6.000 3.157 2.804 3.893 . 0 0 "[ . 1 . 2]" 1
620 1 59 ASP HB3 1 62 LYS HB2 6.000 . 6.000 2.363 1.975 4.347 . 0 0 "[ . 1 . 2]" 1
621 1 61 LYS HA 1 62 LYS H 6.000 . 6.000 3.538 3.516 3.567 . 0 0 "[ . 1 . 2]" 1
622 1 46 LEU MD1 1 63 PHE HE1 6.000 . 6.000 4.082 2.038 5.695 . 0 0 "[ . 1 . 2]" 1
623 1 47 LEU HA 1 63 PHE HD1 6.000 . 6.000 5.790 5.217 6.030 0.030 10 0 "[ . 1 . 2]" 1
624 1 47 LEU MD2 1 63 PHE HE2 6.000 . 6.000 4.400 3.993 4.671 . 0 0 "[ . 1 . 2]" 1
625 1 47 LEU MD2 1 63 PHE HZ 4.000 . 4.000 3.793 3.295 4.121 0.121 2 0 "[ . 1 . 2]" 1
626 1 50 VAL MG1 1 63 PHE HE1 6.000 . 6.000 4.361 3.864 5.250 . 0 0 "[ . 1 . 2]" 1
627 1 50 VAL HB 1 63 PHE HZ 6.000 . 6.000 5.922 4.924 6.052 0.052 12 0 "[ . 1 . 2]" 1
628 1 59 ASP HB3 1 63 PHE H 6.000 . 6.000 4.124 3.643 5.942 . 0 0 "[ . 1 . 2]" 1
629 1 63 PHE HA 1 63 PHE HB2 2.800 . 2.800 2.536 2.484 2.579 . 0 0 "[ . 1 . 2]" 1
630 1 63 PHE HA 1 63 PHE HD1 4.000 . 4.000 2.116 2.022 2.201 . 0 0 "[ . 1 . 2]" 1
631 1 63 PHE H 1 63 PHE HB3 4.000 . 4.000 2.564 2.465 2.650 . 0 0 "[ . 1 . 2]" 1
632 1 61 LYS HA 1 64 ILE H 6.000 . 6.000 3.775 3.657 4.046 . 0 0 "[ . 1 . 2]" 1
633 1 63 PHE HD2 1 64 ILE HA 6.000 . 6.000 4.700 4.491 4.880 . 0 0 "[ . 1 . 2]" 1
634 1 63 PHE HD2 1 64 ILE HB 6.000 . 6.000 6.014 4.974 6.145 0.145 20 0 "[ . 1 . 2]" 1
635 1 63 PHE HA 1 64 ILE H 4.000 . 4.000 3.522 3.504 3.552 . 0 0 "[ . 1 . 2]" 1
636 1 64 ILE H 1 64 ILE HB 4.000 . 4.000 2.531 2.167 3.608 . 0 0 "[ . 1 . 2]" 1
637 1 61 LYS HA 1 64 ILE HB 6.000 . 6.000 3.359 2.714 5.245 . 0 0 "[ . 1 . 2]" 1
638 1 64 ILE HB 1 65 GLU H 6.000 . 6.000 2.730 2.281 3.827 . 0 0 "[ . 1 . 2]" 1
639 1 65 GLU HA 1 65 GLU HB3 2.800 . 2.800 2.543 2.524 2.552 . 0 0 "[ . 1 . 2]" 1
640 1 63 PHE HD1 1 67 VAL HB 6.000 . 6.000 6.067 6.011 6.110 0.110 12 0 "[ . 1 . 2]" 1
641 1 64 ILE HA 1 67 VAL HB 6.000 . 6.000 2.566 2.336 2.806 . 0 0 "[ . 1 . 2]" 1
642 1 64 ILE HA 1 67 VAL MG2 6.000 . 6.000 3.323 2.966 3.665 . 0 0 "[ . 1 . 2]" 1
643 1 64 ILE HA 1 68 LEU HB2 6.000 . 6.000 4.676 3.714 5.247 . 0 0 "[ . 1 . 2]" 1
644 1 65 GLU HA 1 68 LEU HB2 6.000 . 6.000 2.787 2.408 3.631 . 0 0 "[ . 1 . 2]" 1
645 1 67 VAL HB 1 68 LEU H 6.000 . 6.000 2.554 2.444 2.647 . 0 0 "[ . 1 . 2]" 1
646 1 66 ASP HA 1 69 ARG HB2 6.000 . 6.000 3.549 2.966 3.932 . 0 0 "[ . 1 . 2]" 1
647 1 68 LEU HB3 1 69 ARG H 6.000 . 6.000 3.567 2.853 3.904 . 0 0 "[ . 1 . 2]" 1
648 1 31 LEU MD1 1 63 PHE HD2 4.000 . 4.000 4.019 3.712 4.149 0.149 16 0 "[ . 1 . 2]" 1
649 1 36 GLU HA 1 38 LEU MD1 6.000 . 6.000 4.290 4.154 4.413 . 0 0 "[ . 1 . 2]" 1
650 1 43 VAL MG1 1 63 PHE HE2 4.000 . 4.000 4.094 4.036 4.156 0.156 16 0 "[ . 1 . 2]" 1
651 1 38 LEU MD1 1 67 VAL MG1 4.000 . 4.000 3.342 2.943 3.746 . 0 0 "[ . 1 . 2]" 1
652 1 31 LEU MD2 1 67 VAL MG1 . . 5.000 3.867 3.038 4.521 . 0 0 "[ . 1 . 2]" 1
653 1 40 ASP HA 1 43 VAL HB 2.800 . 2.800 2.017 1.974 2.247 . 0 0 "[ . 1 . 2]" 1
654 1 28 ARG HB2 1 47 LEU MD1 5.000 . 5.000 4.853 4.432 5.038 0.038 16 0 "[ . 1 . 2]" 1
655 1 43 VAL HA 1 47 LEU MD1 5.000 . 5.000 4.089 3.911 4.325 . 0 0 "[ . 1 . 2]" 1
656 1 44 ASP H 1 47 LEU MD1 4.000 . 4.000 3.964 3.783 4.054 0.054 14 0 "[ . 1 . 2]" 1
657 1 52 VAL HB 1 58 ILE QG 4.000 . 4.000 2.935 2.781 3.284 . 0 0 "[ . 1 . 2]" 1
658 1 24 VAL MG2 1 47 LEU MD2 2.800 . 2.800 2.889 2.807 3.143 0.343 2 0 "[ . 1 . 2]" 1
659 1 28 ARG HG3 1 43 VAL MG1 2.800 . 2.800 2.914 2.738 2.965 0.165 9 0 "[ . 1 . 2]" 1
660 1 30 MET ME 1 34 LEU HA 4.000 . 4.000 4.299 4.226 4.409 0.409 9 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 46
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 61.253
_Distance_constraint_stats_list.Viol_max 0.132
_Distance_constraint_stats_list.Viol_rms 0.0142
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0033
_Distance_constraint_stats_list.Viol_average_violations_only 0.0420
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 4 THR 1.455 0.132 1 0 "[ . 1 . 2]"
1 5 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.026 0.026 14 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 VAL 1.455 0.132 1 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ALA 0.026 0.026 14 0 "[ . 1 . 2]"
1 11 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 VAL 0.159 0.043 19 0 "[ . 1 . 2]"
1 23 SER 0.737 0.104 10 0 "[ . 1 . 2]"
1 24 VAL 0.038 0.038 2 0 "[ . 1 . 2]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 LEU 0.737 0.104 10 0 "[ . 1 . 2]"
1 28 ARG 0.038 0.038 2 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 THR 0.053 0.023 9 0 "[ . 1 . 2]"
1 40 ASP 0.056 0.028 19 0 "[ . 1 . 2]"
1 41 ALA 0.370 0.062 5 0 "[ . 1 . 2]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.053 0.023 9 0 "[ . 1 . 2]"
1 44 ASP 0.056 0.028 19 0 "[ . 1 . 2]"
1 45 GLU 0.370 0.062 5 0 "[ . 1 . 2]"
1 46 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ILE 0.159 0.043 19 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 0.016 0.016 17 0 "[ . 1 . 2]"
1 61 LYS 0.026 0.026 10 0 "[ . 1 . 2]"
1 62 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PHE 0.127 0.055 8 0 "[ . 1 . 2]"
1 64 ILE 0.016 0.016 17 0 "[ . 1 . 2]"
1 65 GLU 0.026 0.026 10 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 VAL 0.127 0.055 8 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 THR O 1 8 VAL H 2.300 . 2.800 1.743 1.668 2.101 0.132 1 0 "[ . 1 . 2]" 2
2 1 4 THR O 1 8 VAL N 3.100 2.600 3.700 2.718 2.645 3.078 . 0 0 "[ . 1 . 2]" 2
3 1 5 GLU O 1 9 LYS H 2.300 . 2.800 2.053 1.954 2.242 . 0 0 "[ . 1 . 2]" 2
4 1 5 GLU O 1 9 LYS N 3.100 2.600 3.700 2.999 2.901 3.196 . 0 0 "[ . 1 . 2]" 2
5 1 6 ASP O 1 10 ALA H 2.300 . 2.800 2.695 2.583 2.826 0.026 14 0 "[ . 1 . 2]" 2
6 1 6 ASP O 1 10 ALA N 3.100 2.600 3.700 3.545 3.425 3.662 . 0 0 "[ . 1 . 2]" 2
7 1 7 PHE O 1 11 PHE H 2.300 . 2.800 2.459 2.229 2.715 . 0 0 "[ . 1 . 2]" 2
8 1 7 PHE O 1 11 PHE N 3.100 2.600 3.700 3.414 3.197 3.678 . 0 0 "[ . 1 . 2]" 2
9 1 8 VAL O 1 12 GLN H 2.300 . 2.800 2.176 2.043 2.283 . 0 0 "[ . 1 . 2]" 2
10 1 8 VAL O 1 12 GLN N 3.100 2.600 3.700 2.997 2.872 3.160 . 0 0 "[ . 1 . 2]" 2
11 1 23 SER O 1 27 LEU H 2.300 . 2.800 1.763 1.696 1.791 0.104 10 0 "[ . 1 . 2]" 2
12 1 23 SER O 1 27 LEU N 3.100 2.600 3.700 2.729 2.669 2.757 . 0 0 "[ . 1 . 2]" 2
13 1 24 VAL O 1 28 ARG H 2.300 . 2.800 1.900 1.762 1.997 0.038 2 0 "[ . 1 . 2]" 2
14 1 24 VAL O 1 28 ARG N 3.100 2.600 3.700 2.863 2.709 2.970 . 0 0 "[ . 1 . 2]" 2
15 1 25 GLY O 1 29 TYR H 2.300 . 2.800 2.601 2.463 2.726 . 0 0 "[ . 1 . 2]" 2
16 1 25 GLY O 1 29 TYR N 3.100 2.600 3.700 3.404 3.269 3.522 . 0 0 "[ . 1 . 2]" 2
17 1 26 ASP O 1 30 MET H 2.300 . 2.800 2.134 1.973 2.252 . 0 0 "[ . 1 . 2]" 2
18 1 26 ASP O 1 30 MET N 3.100 2.600 3.700 3.104 2.951 3.221 . 0 0 "[ . 1 . 2]" 2
19 1 27 LEU O 1 31 LEU H 2.300 . 2.800 2.164 1.959 2.374 . 0 0 "[ . 1 . 2]" 2
20 1 27 LEU O 1 31 LEU N 3.100 2.600 3.700 3.112 2.866 3.333 . 0 0 "[ . 1 . 2]" 2
21 1 39 THR O 1 43 VAL H 2.300 . 2.800 1.878 1.777 2.055 0.023 9 0 "[ . 1 . 2]" 2
22 1 39 THR O 1 43 VAL N 3.100 2.600 3.700 2.843 2.746 3.004 . 0 0 "[ . 1 . 2]" 2
23 1 40 ASP O 1 44 ASP H 2.300 . 2.800 1.865 1.772 2.020 0.028 19 0 "[ . 1 . 2]" 2
24 1 40 ASP O 1 44 ASP N 3.100 2.600 3.700 2.728 2.643 2.860 . 0 0 "[ . 1 . 2]" 2
25 1 41 ALA O 1 45 GLU H 2.300 . 2.800 2.772 2.532 2.853 0.053 5 0 "[ . 1 . 2]" 2
26 1 41 ALA O 1 45 GLU N 3.100 2.600 3.700 3.668 3.480 3.762 0.062 5 0 "[ . 1 . 2]" 2
27 1 42 GLU O 1 46 LEU H 2.300 . 2.800 2.378 2.147 2.738 . 0 0 "[ . 1 . 2]" 2
28 1 42 GLU O 1 46 LEU N 3.100 2.600 3.700 3.323 3.113 3.666 . 0 0 "[ . 1 . 2]" 2
29 1 43 VAL O 1 47 LEU H 2.300 . 2.800 2.018 1.868 2.222 . 0 0 "[ . 1 . 2]" 2
30 1 43 VAL O 1 47 LEU N 3.100 2.600 3.700 2.978 2.838 3.089 . 0 0 "[ . 1 . 2]" 2
31 1 44 ASP O 1 48 LYS H 2.300 . 2.800 2.347 1.917 2.596 . 0 0 "[ . 1 . 2]" 2
32 1 44 ASP O 1 48 LYS N 3.100 2.600 3.700 3.029 2.689 3.265 . 0 0 "[ . 1 . 2]" 2
33 1 59 ASP O 1 63 PHE H 2.300 . 2.800 2.363 2.241 2.506 . 0 0 "[ . 1 . 2]" 2
34 1 59 ASP O 1 63 PHE N 3.100 2.600 3.700 3.325 3.193 3.482 . 0 0 "[ . 1 . 2]" 2
35 1 60 TYR O 1 64 ILE H 2.300 . 2.800 2.356 2.132 2.816 0.016 17 0 "[ . 1 . 2]" 2
36 1 60 TYR O 1 64 ILE N 3.100 2.600 3.700 3.213 2.965 3.658 . 0 0 "[ . 1 . 2]" 2
37 1 61 LYS O 1 65 GLU H 2.300 . 2.800 2.100 1.774 2.541 0.026 10 0 "[ . 1 . 2]" 2
38 1 61 LYS O 1 65 GLU N 3.100 2.600 3.700 3.044 2.750 3.460 . 0 0 "[ . 1 . 2]" 2
39 1 62 LYS O 1 66 ASP H 2.300 . 2.800 2.341 2.168 2.507 . 0 0 "[ . 1 . 2]" 2
40 1 62 LYS O 1 66 ASP N 3.100 2.600 3.700 3.154 2.970 3.337 . 0 0 "[ . 1 . 2]" 2
41 1 63 PHE O 1 67 VAL H 2.300 . 2.800 2.723 2.557 2.855 0.055 8 0 "[ . 1 . 2]" 2
42 1 63 PHE O 1 67 VAL N 3.100 2.600 3.700 3.289 3.114 3.443 . 0 0 "[ . 1 . 2]" 2
43 1 22 VAL H 1 58 ILE O 2.300 . 2.800 2.297 1.964 2.589 . 0 0 "[ . 1 . 2]" 2
44 1 22 VAL N 1 58 ILE O 3.100 2.600 3.700 3.221 2.919 3.479 . 0 0 "[ . 1 . 2]" 2
45 1 22 VAL O 1 58 ILE H 2.300 . 2.800 1.850 1.757 1.998 0.043 19 0 "[ . 1 . 2]" 2
46 1 22 VAL O 1 58 ILE N 3.100 2.600 3.700 2.822 2.728 2.962 . 0 0 "[ . 1 . 2]" 2
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