Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
512150 | 2l93 RC | 17435 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2l93
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 695
_Distance_constraint_stats_list.Viol_count 8
_Distance_constraint_stats_list.Viol_total 1.938
_Distance_constraint_stats_list.Viol_max 0.044
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0121
_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 1 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LYS 0.053 0.013 13 0 "[ . 1 . 2]"
1 7 TYR 0.053 0.013 13 0 "[ . 1 . 2]"
1 8 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLU 0.044 0.044 20 0 "[ . 1 . 2]"
1 13 ASN 0.044 0.044 20 0 "[ . 1 . 2]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 18 THR HB 1 19 TRP H . . 4.000 2.417 2.341 2.592 . 0 0 "[ . 1 . 2]" 1
2 1 25 THR H 1 25 THR HB . . 3.300 2.624 2.569 2.677 . 0 0 "[ . 1 . 2]" 1
3 1 16 THR H 1 16 THR HB . . 3.300 2.530 2.221 2.863 . 0 0 "[ . 1 . 2]" 1
4 1 8 SER QB 1 9 TYR H . . 4.430 3.094 2.466 3.577 . 0 0 "[ . 1 . 2]" 1
5 1 16 THR HA 1 17 LYS H 4.500 . 5.000 3.604 3.556 3.638 . 0 0 "[ . 1 . 2]" 1
6 1 4 PRO HA 1 5 ALA H 2.800 . 3.300 2.478 2.228 2.854 . 0 0 "[ . 1 . 2]" 1
7 1 45 ILE HA 1 46 LYS H 4.500 . 5.000 3.439 3.353 3.553 . 0 0 "[ . 1 . 2]" 1
8 1 26 PRO HA 1 27 ALA H . . 3.300 2.257 2.204 2.299 . 0 0 "[ . 1 . 2]" 1
9 1 10 VAL HA 1 11 ASP H 2.800 . 3.300 2.285 2.131 2.485 . 0 0 "[ . 1 . 2]" 1
10 1 19 TRP HH2 1 25 THR HA 4.500 . 5.000 3.002 2.593 3.268 . 0 0 "[ . 1 . 2]" 1
11 1 18 THR HA 1 19 TRP H . . 3.300 2.365 2.335 2.407 . 0 0 "[ . 1 . 2]" 1
12 1 41 GLU HA 1 42 ASP H 6.000 . 6.500 3.535 3.491 3.573 . 0 0 "[ . 1 . 2]" 1
13 1 41 GLU HA 1 44 LEU H . . 5.000 2.801 2.671 2.921 . 0 0 "[ . 1 . 2]" 1
14 1 7 TYR QE 1 41 GLU HA 5.050 . 5.550 4.294 3.717 4.546 . 0 0 "[ . 1 . 2]" 1
15 1 33 MET HA 1 38 LYS H 3.500 . 4.000 2.697 2.545 2.987 . 0 0 "[ . 1 . 2]" 1
16 1 40 LEU HA 1 43 PHE QD 3.930 . 4.430 2.596 2.338 3.410 . 0 0 "[ . 1 . 2]" 1
17 1 8 SER HA 1 9 TYR H . . 3.300 2.272 2.193 2.381 . 0 0 "[ . 1 . 2]" 1
18 1 7 TYR HA 1 8 SER H . . 3.300 2.347 2.285 2.425 . 0 0 "[ . 1 . 2]" 1
19 1 47 GLU HA 1 48 LEU H 3.930 . 4.430 2.558 2.180 3.120 . 0 0 "[ . 1 . 2]" 1
20 1 6 LYS HA 1 7 TYR H 4.410 . 4.910 3.003 2.733 3.096 . 0 0 "[ . 1 . 2]" 1
21 1 44 LEU HA 1 45 ILE H 2.800 . 3.300 2.116 2.054 2.171 . 0 0 "[ . 1 . 2]" 1
22 1 7 TYR QD 1 44 LEU HA 3.930 . 4.430 2.497 2.171 3.101 . 0 0 "[ . 1 . 2]" 1
23 1 24 ARG HA 1 25 THR H 2.800 . 3.300 2.218 2.148 2.292 . 0 0 "[ . 1 . 2]" 1
24 1 9 TYR HA 1 10 VAL H . . 3.300 2.383 2.281 2.500 . 0 0 "[ . 1 . 2]" 1
25 1 15 GLU HA 1 16 THR H 2.800 . 3.300 2.151 2.052 2.295 . 0 0 "[ . 1 . 2]" 1
26 1 38 LYS HA 1 39 GLN H 2.800 . 3.300 2.399 2.323 2.572 . 0 0 "[ . 1 . 2]" 1
27 1 22 GLN HA 1 23 GLY H . . 3.300 2.297 2.231 2.386 . 0 0 "[ . 1 . 2]" 1
28 1 17 LYS HA 1 18 THR H . . 3.300 2.369 2.281 2.507 . 0 0 "[ . 1 . 2]" 1
29 1 5 ALA HA 1 6 LYS H 2.800 . 3.300 2.400 2.202 2.717 . 0 0 "[ . 1 . 2]" 1
30 1 1 ALA HA 1 2 ALA H 6.000 . 6.500 2.359 2.274 2.495 . 0 0 "[ . 1 . 2]" 1
31 1 2 ALA HA 1 3 ARG H . . 4.000 2.593 2.330 3.490 . 0 0 "[ . 1 . 2]" 1
32 1 37 GLY QA 1 38 LYS H . . 4.910 2.923 2.895 2.951 . 0 0 "[ . 1 . 2]" 1
33 1 23 GLY QA 1 24 ARG H . . 3.640 2.244 2.134 2.287 . 0 0 "[ . 1 . 2]" 1
34 1 7 TYR QE 1 21 GLY QA 5.670 . 6.170 2.317 2.190 2.582 . 0 0 "[ . 1 . 2]" 1
35 1 44 LEU H 1 44 LEU QB . . 3.640 2.095 2.050 2.143 . 0 0 "[ . 1 . 2]" 1
36 1 11 ASP QB 1 12 GLU H . . 3.640 2.561 2.216 2.818 . 0 0 "[ . 1 . 2]" 1
37 1 11 ASP H 1 11 ASP QB . . 3.640 2.639 2.254 2.815 . 0 0 "[ . 1 . 2]" 1
38 1 40 LEU H 1 40 LEU QB . . 3.640 2.297 2.136 2.630 . 0 0 "[ . 1 . 2]" 1
39 1 40 LEU QB 1 41 GLU H 5.050 . 5.550 2.856 2.651 2.919 . 0 0 "[ . 1 . 2]" 1
40 1 42 ASP H 1 42 ASP QB . . 3.640 2.286 2.180 2.430 . 0 0 "[ . 1 . 2]" 1
41 1 9 TYR QB 1 10 VAL H . . 3.640 2.218 2.135 2.316 . 0 0 "[ . 1 . 2]" 1
42 1 43 PHE H 1 43 PHE QB . . 3.640 2.519 2.475 2.618 . 0 0 "[ . 1 . 2]" 1
43 1 7 TYR QD 1 43 PHE QB 5.670 . 6.170 2.946 2.308 3.418 . 0 0 "[ . 1 . 2]" 1
44 1 34 GLU H 1 34 GLU QG . . 3.640 2.380 2.049 2.509 . 0 0 "[ . 1 . 2]" 1
45 1 35 GLU H 1 35 GLU QG 3.930 . 4.430 2.651 2.329 2.918 . 0 0 "[ . 1 . 2]" 1
46 1 34 GLU QG 1 35 GLU H . . 4.030 2.539 2.229 2.792 . 0 0 "[ . 1 . 2]" 1
47 1 12 GLU H 1 12 GLU QG . . 4.910 3.427 2.205 4.091 . 0 0 "[ . 1 . 2]" 1
48 1 17 LYS QB 1 18 THR H . . 3.640 2.353 2.102 2.599 . 0 0 "[ . 1 . 2]" 1
49 1 22 GLN H 1 22 GLN QG . . 4.910 3.053 2.363 3.986 . 0 0 "[ . 1 . 2]" 1
50 1 33 MET QB 1 34 GLU H 4.410 . 4.910 2.586 2.466 2.787 . 0 0 "[ . 1 . 2]" 1
51 1 38 LYS QB 1 39 GLN H . . 3.640 2.268 2.061 2.472 . 0 0 "[ . 1 . 2]" 1
52 1 9 TYR QE 1 19 TRP QB 5.670 . 6.170 3.122 2.458 3.708 . 0 0 "[ . 1 . 2]" 1
53 1 31 LYS H 1 31 LYS QB 3.530 . 4.030 2.281 2.124 2.483 . 0 0 "[ . 1 . 2]" 1
54 1 30 LYS H 1 30 LYS QB . . 3.640 2.200 2.082 2.511 . 0 0 "[ . 1 . 2]" 1
55 1 10 VAL H 1 10 VAL HB . . 4.000 2.821 2.363 3.660 . 0 0 "[ . 1 . 2]" 1
56 1 31 LYS QB 1 32 ALA H . . 4.030 2.730 2.568 2.887 . 0 0 "[ . 1 . 2]" 1
57 1 28 VAL H 1 28 VAL HB . . 3.300 2.534 2.479 2.617 . 0 0 "[ . 1 . 2]" 1
58 1 9 TYR QD 1 28 VAL HB 6.730 . 7.230 3.338 2.455 5.054 . 0 0 "[ . 1 . 2]" 1
59 1 39 GLN QB 1 41 GLU H . . 5.550 3.021 2.778 3.534 . 0 0 "[ . 1 . 2]" 1
60 1 35 GLU H 1 35 GLU QB 3.530 . 4.030 2.465 2.337 2.568 . 0 0 "[ . 1 . 2]" 1
61 1 35 GLU QB 1 36 GLN H . . 4.030 3.137 2.929 3.233 . 0 0 "[ . 1 . 2]" 1
62 1 33 MET H 1 33 MET QG . . 3.640 2.331 2.160 2.461 . 0 0 "[ . 1 . 2]" 1
63 1 34 GLU H 1 34 GLU QB . . 3.640 2.389 2.294 2.668 . 0 0 "[ . 1 . 2]" 1
64 1 34 GLU QB 1 35 GLU H 5.050 . 5.550 2.926 2.423 3.767 . 0 0 "[ . 1 . 2]" 1
65 1 22 GLN H 1 22 GLN QB . . 3.640 2.440 2.176 2.657 . 0 0 "[ . 1 . 2]" 1
66 1 47 GLU H 1 47 GLU QB . . 3.640 2.704 2.524 2.913 . 0 0 "[ . 1 . 2]" 1
67 1 12 GLU H 1 12 GLU QB . . 3.640 2.522 2.100 2.816 . 0 0 "[ . 1 . 2]" 1
68 1 45 ILE H 1 45 ILE QG . . 3.640 2.306 2.108 2.891 . 0 0 "[ . 1 . 2]" 1
69 1 44 LEU H 1 44 LEU HG 4.500 . 5.000 4.331 4.227 4.462 . 0 0 "[ . 1 . 2]" 1
70 1 19 TRP HZ3 1 40 LEU QD 6.070 . 6.570 2.172 2.000 2.435 . 0 0 "[ . 1 . 2]" 1
71 1 44 LEU QD 1 45 ILE H . . 5.800 2.389 2.096 2.974 . 0 0 "[ . 1 . 2]" 1
72 1 7 TYR QD 1 44 LEU QD 10.190 . 10.690 3.471 3.034 4.094 . 0 0 "[ . 1 . 2]" 1
73 1 7 TYR QE 1 44 LEU QD 10.190 . 10.690 2.596 2.352 3.269 . 0 0 "[ . 1 . 2]" 1
74 1 12 GLU H 1 28 VAL QG 8.090 . 8.590 5.760 5.123 6.013 . 0 0 "[ . 1 . 2]" 1
75 1 28 VAL H 1 28 VAL QG . . 4.270 2.173 2.068 2.275 . 0 0 "[ . 1 . 2]" 1
76 1 9 TYR QD 1 28 VAL QG 5.300 . 5.800 2.311 2.136 2.558 . 0 0 "[ . 1 . 2]" 1
77 1 9 TYR QE 1 28 VAL QG 6.810 . 7.310 2.651 2.351 3.424 . 0 0 "[ . 1 . 2]" 1
78 1 18 THR MG 1 19 TRP H 7.210 . 7.710 3.657 3.535 3.797 . 0 0 "[ . 1 . 2]" 1
79 1 16 THR MG 1 17 LYS H . . 3.860 2.664 2.256 2.877 . 0 0 "[ . 1 . 2]" 1
80 1 10 VAL QG 1 11 ASP H . . 4.740 2.482 2.042 3.112 . 0 0 "[ . 1 . 2]" 1
81 1 10 VAL QG 1 14 GLY H 5.940 . 6.440 2.741 2.119 3.117 . 0 0 "[ . 1 . 2]" 1
82 1 25 THR MG 1 30 LYS H . . 4.700 2.668 2.536 2.918 . 0 0 "[ . 1 . 2]" 1
83 1 19 TRP HH2 1 25 THR MG 7.210 . 7.710 3.197 2.933 3.498 . 0 0 "[ . 1 . 2]" 1
84 1 10 VAL H 1 28 VAL QG 9.080 . 9.580 3.254 2.928 3.975 . 0 0 "[ . 1 . 2]" 1
85 1 5 ALA MB 1 6 LYS H . . 3.860 2.402 2.027 2.699 . 0 0 "[ . 1 . 2]" 1
86 1 32 ALA MB 1 33 MET H . . 3.860 2.628 2.539 2.763 . 0 0 "[ . 1 . 2]" 1
87 1 32 ALA H 1 32 ALA MB 3.360 . 3.860 2.200 2.179 2.226 . 0 0 "[ . 1 . 2]" 1
88 1 32 ALA MB 1 43 PHE QE 4.720 . 5.220 2.622 2.305 3.044 . 0 0 "[ . 1 . 2]" 1
89 1 32 ALA MB 1 43 PHE HZ 4.200 . 4.700 2.180 2.123 2.294 . 0 0 "[ . 1 . 2]" 1
90 1 27 ALA MB 1 28 VAL H . . 3.860 2.518 2.417 2.568 . 0 0 "[ . 1 . 2]" 1
91 1 45 ILE MG 1 46 LYS H 5.400 . 5.900 4.352 4.184 4.474 . 0 0 "[ . 1 . 2]" 1
92 1 33 MET ME 1 40 LEU H 5.400 . 5.900 3.450 2.536 4.502 . 0 0 "[ . 1 . 2]" 1
93 1 29 ILE MG 1 43 PHE QD 8.090 . 8.590 2.832 2.496 3.496 . 0 0 "[ . 1 . 2]" 1
94 1 29 ILE MG 1 43 PHE QE 8.090 . 8.590 3.221 2.773 3.952 . 0 0 "[ . 1 . 2]" 1
95 1 9 TYR QD 1 29 ILE MD 6.070 . 6.570 2.546 2.329 2.914 . 0 0 "[ . 1 . 2]" 1
96 1 19 TRP HE3 1 29 ILE MD 7.210 . 7.710 3.213 2.392 5.045 . 0 0 "[ . 1 . 2]" 1
97 1 9 TYR QE 1 29 ILE MD 8.650 . 9.150 3.418 2.850 3.885 . 0 0 "[ . 1 . 2]" 1
98 1 3 ARG HA 1 4 PRO QD 3.930 . 4.430 2.455 2.075 3.577 . 0 0 "[ . 1 . 2]" 1
99 1 41 GLU HA 1 44 LEU QB 6.730 . 7.230 1.986 1.950 2.056 . 0 0 "[ . 1 . 2]" 1
100 1 32 ALA HA 1 36 GLN QB 6.730 . 7.230 2.746 2.274 3.896 . 0 0 "[ . 1 . 2]" 1
101 1 41 GLU HA 1 44 LEU HG 4.500 . 5.000 4.049 3.047 4.572 . 0 0 "[ . 1 . 2]" 1
102 1 44 LEU HA 1 48 LEU QD . . 6.570 4.384 3.953 4.524 . 0 0 "[ . 1 . 2]" 1
103 1 41 GLU HA 1 48 LEU QD . . 5.220 3.017 2.550 3.509 . 0 0 "[ . 1 . 2]" 1
104 1 40 LEU HA 1 40 LEU QD . . 4.270 2.171 2.056 2.561 . 0 0 "[ . 1 . 2]" 1
105 1 41 GLU HA 1 44 LEU QD 9.080 . 9.580 3.008 2.476 3.523 . 0 0 "[ . 1 . 2]" 1
106 1 5 ALA HA 1 20 THR MG 5.400 . 5.900 2.553 2.232 4.130 . 0 0 "[ . 1 . 2]" 1
107 1 8 SER HA 1 18 THR MG 5.400 . 5.900 2.935 2.504 3.639 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL QG 1 14 GLY QA 5.940 . 6.440 2.812 2.322 3.187 . 0 0 "[ . 1 . 2]" 1
109 1 5 ALA MB 1 18 THR HB 4.200 . 4.700 2.188 2.017 2.452 . 0 0 "[ . 1 . 2]" 1
110 1 44 LEU HA 1 45 ILE MG 8.090 . 8.590 3.629 3.373 3.911 . 0 0 "[ . 1 . 2]" 1
111 1 33 MET ME 1 39 GLN HA 7.210 . 7.710 3.255 2.327 4.774 . 0 0 "[ . 1 . 2]" 1
112 1 33 MET ME 1 40 LEU HA 7.210 . 7.710 3.997 2.243 5.521 . 0 0 "[ . 1 . 2]" 1
113 1 44 LEU HA 1 45 ILE MD 5.400 . 5.900 4.368 3.045 4.589 . 0 0 "[ . 1 . 2]" 1
114 1 7 TYR HA 1 44 LEU HA 3.500 . 4.000 2.397 2.202 2.622 . 0 0 "[ . 1 . 2]" 1
115 1 22 GLN QG 1 23 GLY QA 8.320 . 8.820 2.757 2.535 2.920 . 0 0 "[ . 1 . 2]" 1
116 1 28 VAL HA 1 31 LYS QB . . 4.910 2.614 2.329 2.858 . 0 0 "[ . 1 . 2]" 1
117 1 6 LYS QE 1 44 LEU QD 12.240 . 12.740 3.762 2.929 5.263 . 0 0 "[ . 1 . 2]" 1
118 1 9 TYR QB 1 28 VAL QG . . 7.310 2.686 2.111 3.058 . 0 0 "[ . 1 . 2]" 1
119 1 8 SER QB 1 18 THR MG 6.070 . 6.570 2.329 2.094 3.239 . 0 0 "[ . 1 . 2]" 1
120 1 25 THR MG 1 30 LYS HA 5.400 . 5.900 3.028 2.705 3.320 . 0 0 "[ . 1 . 2]" 1
121 1 29 ILE HA 1 32 ALA MB 5.400 . 5.900 2.717 2.504 3.033 . 0 0 "[ . 1 . 2]" 1
122 1 30 LYS HA 1 33 MET ME 5.400 . 5.900 3.952 2.338 4.503 . 0 0 "[ . 1 . 2]" 1
123 1 29 ILE MG 1 33 MET QG . . 6.570 3.009 2.619 3.413 . 0 0 "[ . 1 . 2]" 1
124 1 7 TYR QB 1 29 ILE MD 7.280 . 7.780 2.285 2.124 3.308 . 0 0 "[ . 1 . 2]" 1
125 1 7 TYR QB 1 29 ILE MD 6.810 . 7.310 2.250 2.063 2.548 . 0 0 "[ . 1 . 2]" 1
126 1 25 THR MG 1 29 ILE MG 4.850 . 5.350 1.929 1.831 2.150 . 0 0 "[ . 1 . 2]" 1
127 1 41 GLU QB 1 48 LEU QD 7.640 . 8.140 2.844 2.293 3.928 . 0 0 "[ . 1 . 2]" 1
128 1 40 LEU QB 1 48 LEU QD 6.170 . 6.670 2.133 1.984 2.305 . 0 0 "[ . 1 . 2]" 1
129 1 33 MET ME 1 40 LEU QD . . 6.170 2.565 2.037 3.397 . 0 0 "[ . 1 . 2]" 1
130 1 25 THR MG 1 33 MET ME 8.650 . 9.150 3.231 2.276 4.039 . 0 0 "[ . 1 . 2]" 1
131 1 29 ILE MG 1 33 MET ME 6.490 . 6.990 3.056 1.982 4.106 . 0 0 "[ . 1 . 2]" 1
132 1 5 ALA MB 1 45 ILE MD . . 6.990 2.920 2.202 3.571 . 0 0 "[ . 1 . 2]" 1
133 1 18 THR MG 1 45 ILE MD 5.050 . 5.550 3.271 2.465 3.543 . 0 0 "[ . 1 . 2]" 1
134 1 25 THR HB 1 30 LYS QB 5.050 . 5.550 2.708 2.380 2.929 . 0 0 "[ . 1 . 2]" 1
135 1 24 ARG QB 1 25 THR HB 8.090 . 8.590 2.673 2.368 2.866 . 0 0 "[ . 1 . 2]" 1
136 1 8 SER QB 1 45 ILE QG 5.670 . 6.170 3.515 2.049 4.532 . 0 0 "[ . 1 . 2]" 1
137 1 8 SER QB 1 45 ILE MD 6.070 . 6.570 2.675 2.067 3.310 . 0 0 "[ . 1 . 2]" 1
138 1 10 VAL QG 1 16 THR HA . . 7.310 5.019 4.330 5.187 . 0 0 "[ . 1 . 2]" 1
139 1 25 THR HA 1 26 PRO QD 3.930 . 4.430 2.046 2.026 2.110 . 0 0 "[ . 1 . 2]" 1
140 1 41 GLU HA 1 44 LEU QB 3.360 . 3.860 1.978 1.931 2.053 . 0 0 "[ . 1 . 2]" 1
141 1 41 GLU HA 1 44 LEU QB 7.210 . 7.710 1.985 1.949 2.054 . 0 0 "[ . 1 . 2]" 1
142 1 30 LYS HA 1 33 MET QB 5.670 . 6.170 2.817 2.601 3.395 . 0 0 "[ . 1 . 2]" 1
143 1 30 LYS QG 1 31 LYS HA 6.730 . 7.230 3.405 3.153 3.803 . 0 0 "[ . 1 . 2]" 1
144 1 33 MET HA 1 38 LYS QB 5.050 . 5.550 2.922 2.237 3.436 . 0 0 "[ . 1 . 2]" 1
145 1 27 ALA HA 1 30 LYS QB 5.050 . 5.550 2.756 2.415 4.254 . 0 0 "[ . 1 . 2]" 1
146 1 32 ALA HA 1 35 GLU QG 6.070 . 6.570 2.450 2.173 3.157 . 0 0 "[ . 1 . 2]" 1
147 1 32 ALA HA 1 36 GLN QB 4.410 . 4.910 2.464 2.173 3.302 . 0 0 "[ . 1 . 2]" 1
148 1 32 ALA HA 1 35 GLU QB 7.560 . 8.060 3.847 2.851 4.559 . 0 0 "[ . 1 . 2]" 1
149 1 3 ARG QB 1 4 PRO QD 6.810 . 7.310 2.657 2.091 3.563 . 0 0 "[ . 1 . 2]" 1
150 1 11 ASP QB 1 28 VAL QG . . 9.580 3.550 2.792 4.057 . 0 0 "[ . 1 . 2]" 1
151 1 38 LYS QB 1 42 ASP QB . . 6.170 2.782 2.462 3.333 . 0 0 "[ . 1 . 2]" 1
152 1 44 LEU QB 1 48 LEU QD 5.300 . 5.800 2.426 2.108 2.896 . 0 0 "[ . 1 . 2]" 1
153 1 25 THR MG 1 30 LYS QB . . 6.570 2.651 2.295 2.852 . 0 0 "[ . 1 . 2]" 1
154 1 6 LYS QD 1 48 LEU QD 7.640 . 8.140 4.613 3.428 5.130 . 0 0 "[ . 1 . 2]" 1
155 1 44 LEU HG 1 48 LEU QD 8.090 . 8.590 3.399 2.155 4.365 . 0 0 "[ . 1 . 2]" 1
156 1 6 LYS QG 1 48 LEU HG 6.730 . 7.230 5.680 5.005 6.034 . 0 0 "[ . 1 . 2]" 1
157 1 28 VAL QG 1 32 ALA MB . . 7.780 3.222 2.934 3.437 . 0 0 "[ . 1 . 2]" 1
158 1 13 ASN HA 1 14 GLY QA 6.730 . 7.230 4.307 4.203 4.414 . 0 0 "[ . 1 . 2]" 1
159 1 3 ARG QB 1 4 PRO QD 7.560 . 8.060 2.877 2.101 3.913 . 0 0 "[ . 1 . 2]" 1
160 1 7 TYR QD 1 40 LEU HG 8.980 . 9.480 4.316 2.650 6.319 . 0 0 "[ . 1 . 2]" 1
161 1 40 LEU HG 1 41 GLU H 6.000 . 6.500 4.651 4.067 5.344 . 0 0 "[ . 1 . 2]" 1
162 1 4 PRO QB 1 5 ALA H 6.730 . 7.230 3.132 2.408 4.091 . 0 0 "[ . 1 . 2]" 1
163 1 3 ARG HA 1 4 PRO QG 7.560 . 8.060 4.341 3.983 5.370 . 0 0 "[ . 1 . 2]" 1
164 1 4 PRO QD 1 5 ALA HA 6.730 . 7.230 5.670 5.070 6.005 . 0 0 "[ . 1 . 2]" 1
165 1 4 PRO QD 1 5 ALA MB 10.780 . 11.280 5.223 3.550 6.002 . 0 0 "[ . 1 . 2]" 1
166 1 5 ALA HA 1 7 TYR H 6.000 . 6.500 4.080 3.639 4.582 . 0 0 "[ . 1 . 2]" 1
167 1 3 ARG QB 1 5 ALA HA 10.080 . 10.580 4.291 3.891 4.760 . 0 0 "[ . 1 . 2]" 1
168 1 5 ALA HA 1 6 LYS QG 8.980 . 9.480 5.663 3.514 5.881 . 0 0 "[ . 1 . 2]" 1
169 1 5 ALA MB 1 7 TYR H 7.210 . 7.710 2.980 2.717 3.515 . 0 0 "[ . 1 . 2]" 1
170 1 5 ALA MB 1 19 TRP H 7.210 . 7.710 2.881 2.485 3.508 . 0 0 "[ . 1 . 2]" 1
171 1 7 TYR QE 1 44 LEU HA 6.730 . 7.230 3.771 3.519 4.032 . 0 0 "[ . 1 . 2]" 1
172 1 46 LYS HA 1 47 GLU QB 8.980 . 9.480 4.648 4.212 5.420 . 0 0 "[ . 1 . 2]" 1
173 1 44 LEU HA 1 45 ILE QG . . 8.060 3.556 3.397 3.709 . 0 0 "[ . 1 . 2]" 1
174 1 6 LYS H 1 6 LYS QB . . 3.640 2.588 2.364 2.721 . 0 0 "[ . 1 . 2]" 1
175 1 6 LYS QB 1 7 TYR H . . 6.170 3.148 2.811 3.447 . 0 0 "[ . 1 . 2]" 1
176 1 6 LYS QB 1 7 TYR QD 7.560 . 8.060 2.816 2.276 3.124 . 0 0 "[ . 1 . 2]" 1
177 1 6 LYS QB 1 45 ILE MD 8.090 . 8.590 4.623 4.358 5.318 . 0 0 "[ . 1 . 2]" 1
178 1 45 ILE H 1 48 LEU QD 8.090 . 8.590 4.873 3.377 5.610 . 0 0 "[ . 1 . 2]" 1
179 1 7 TYR QE 1 48 LEU QD 9.080 . 9.580 4.067 2.171 5.554 . 0 0 "[ . 1 . 2]" 1
180 1 41 GLU QG 1 48 LEU QD 9.080 . 9.580 2.933 2.015 4.113 . 0 0 "[ . 1 . 2]" 1
181 1 44 LEU QD 1 48 LEU QD 5.710 . 6.210 2.101 1.930 2.576 . 0 0 "[ . 1 . 2]" 1
182 1 27 ALA HA 1 31 LYS QD 9.080 . 9.580 4.592 3.562 5.266 . 0 0 "[ . 1 . 2]" 1
183 1 6 LYS QD 1 7 TYR QE 8.490 . 8.990 3.293 2.400 4.521 . 0 0 "[ . 1 . 2]" 1
184 1 30 LYS QG 1 31 LYS QD 4.440 . 4.940 3.349 2.575 3.624 . 0 0 "[ . 1 . 2]" 1
185 1 6 LYS QD 1 45 ILE QG 9.520 . 10.020 6.158 5.065 6.842 . 0 0 "[ . 1 . 2]" 1
186 1 6 LYS QD 1 44 LEU QD 12.240 . 12.740 2.885 2.154 4.307 . 0 0 "[ . 1 . 2]" 1
187 1 6 LYS QE 1 7 TYR QE 8.490 . 8.990 3.601 2.291 5.343 . 0 0 "[ . 1 . 2]" 1
188 1 28 VAL HA 1 31 LYS QE 7.560 . 8.060 5.673 3.633 6.748 . 0 0 "[ . 1 . 2]" 1
189 1 7 TYR HA 1 45 ILE QG 6.730 . 7.230 3.045 2.316 4.347 . 0 0 "[ . 1 . 2]" 1
190 1 7 TYR QB 1 13 ASN QD 9.080 . 9.580 2.502 2.142 2.931 . 0 0 "[ . 1 . 2]" 1
191 1 7 TYR QB 1 19 TRP HE3 5.050 . 5.550 2.536 2.331 2.936 . 0 0 "[ . 1 . 2]" 1
192 1 7 TYR QB 1 8 SER H 6.730 . 7.230 2.673 2.576 2.817 . 0 0 "[ . 1 . 2]" 1
193 1 7 TYR QB 1 9 TYR QE 9.080 . 9.580 3.735 3.288 3.966 . 0 0 "[ . 1 . 2]" 1
194 1 7 TYR QB 1 44 LEU HA 8.980 . 9.480 3.539 3.347 3.820 . 0 0 "[ . 1 . 2]" 1
195 1 7 TYR QB 1 43 PHE QB 7.560 . 8.060 2.692 2.356 3.111 . 0 0 "[ . 1 . 2]" 1
196 1 7 TYR QE 1 40 LEU HA 7.560 . 8.060 3.845 2.858 4.312 . 0 0 "[ . 1 . 2]" 1
197 1 7 TYR QE 1 40 LEU QB 6.610 . 7.110 2.228 1.981 2.751 . 0 0 "[ . 1 . 2]" 1
198 1 7 TYR QE 1 40 LEU QD 10.900 . 11.400 2.351 2.205 2.565 . 0 0 "[ . 1 . 2]" 1
199 1 8 SER HA 1 19 TRP H 6.000 . 6.500 3.598 3.343 3.797 . 0 0 "[ . 1 . 2]" 1
200 1 8 SER HA 1 9 TYR QD 6.730 . 7.230 3.242 2.966 3.505 . 0 0 "[ . 1 . 2]" 1
201 1 8 SER HA 1 18 THR HA . . 3.300 2.108 2.008 2.201 . 0 0 "[ . 1 . 2]" 1
202 1 8 SER QB 1 18 THR HA 6.730 . 7.230 3.352 2.497 4.262 . 0 0 "[ . 1 . 2]" 1
203 1 8 SER QB 1 45 ILE MG 8.090 . 8.590 2.855 2.075 3.830 . 0 0 "[ . 1 . 2]" 1
204 1 9 TYR HA 1 43 PHE QD 6.730 . 7.230 2.749 2.545 3.102 . 0 0 "[ . 1 . 2]" 1
205 1 9 TYR HA 1 16 THR MG 7.210 . 7.710 5.579 4.461 6.047 . 0 0 "[ . 1 . 2]" 1
206 1 9 TYR HA 1 10 VAL QG 9.080 . 9.580 3.132 2.851 3.861 . 0 0 "[ . 1 . 2]" 1
207 1 9 TYR HA 1 29 ILE MD 9.610 . 10.110 4.323 3.887 4.839 . 0 0 "[ . 1 . 2]" 1
208 1 9 TYR QB 1 43 PHE QD 5.670 . 6.170 2.650 2.426 3.111 . 0 0 "[ . 1 . 2]" 1
209 1 9 TYR QB 1 43 PHE QE 7.560 . 8.060 3.130 2.846 3.682 . 0 0 "[ . 1 . 2]" 1
210 1 9 TYR QB 1 29 ILE QG 10.080 . 10.580 2.792 2.267 3.748 . 0 0 "[ . 1 . 2]" 1
211 1 9 TYR QB 1 29 ILE MD 8.090 . 8.590 2.375 2.086 3.012 . 0 0 "[ . 1 . 2]" 1
212 1 9 TYR HA 1 10 VAL HA 8.000 . 8.500 4.422 4.356 4.493 . 0 0 "[ . 1 . 2]" 1
213 1 10 VAL HA 1 11 ASP QB 8.980 . 9.480 4.051 3.913 4.181 . 0 0 "[ . 1 . 2]" 1
214 1 10 VAL HB 1 11 ASP H 6.000 . 6.500 3.769 2.230 4.424 . 0 0 "[ . 1 . 2]" 1
215 1 10 VAL QG 1 16 THR H 9.080 . 9.580 3.375 2.720 3.857 . 0 0 "[ . 1 . 2]" 1
216 1 11 ASP QB 1 13 ASN H 11.310 . 11.810 3.808 2.690 5.289 . 0 0 "[ . 1 . 2]" 1
217 1 9 TYR QE 1 11 ASP QB 5.670 . 6.170 4.350 3.425 4.522 . 0 0 "[ . 1 . 2]" 1
218 1 12 GLU QG 1 13 ASN QB 10.900 . 11.400 4.553 3.425 6.266 . 0 0 "[ . 1 . 2]" 1
219 1 12 GLU QB 1 13 ASN QB . . 10.020 3.840 3.336 4.920 . 0 0 "[ . 1 . 2]" 1
220 1 15 GLU QB 1 16 THR H 5.670 . 6.170 3.143 2.816 3.548 . 0 0 "[ . 1 . 2]" 1
221 1 15 GLU H 1 15 GLU QG . . 4.430 2.423 2.148 3.356 . 0 0 "[ . 1 . 2]" 1
222 1 15 GLU QG 1 16 THR H 6.730 . 7.230 4.119 3.864 4.488 . 0 0 "[ . 1 . 2]" 1
223 1 16 THR HB 1 17 LYS H 6.000 . 6.500 3.048 2.126 4.045 . 0 0 "[ . 1 . 2]" 1
224 1 15 GLU HA 1 16 THR HB 6.000 . 6.500 4.206 3.966 4.575 . 0 0 "[ . 1 . 2]" 1
225 1 9 TYR QD 1 17 LYS QB 10.080 . 10.580 3.946 3.522 5.301 . 0 0 "[ . 1 . 2]" 1
226 1 9 TYR QE 1 17 LYS QB 7.560 . 8.060 3.088 2.636 4.533 . 0 0 "[ . 1 . 2]" 1
227 1 17 LYS QG 1 18 THR H 8.490 . 8.990 2.786 2.257 3.222 . 0 0 "[ . 1 . 2]" 1
228 1 11 ASP QB 1 17 LYS QG . . 8.060 5.559 5.027 6.053 . 0 0 "[ . 1 . 2]" 1
229 1 9 TYR H 1 18 THR HA . . 5.000 3.569 3.377 3.734 . 0 0 "[ . 1 . 2]" 1
230 1 8 SER HA 1 18 THR HB 6.000 . 6.500 4.063 3.712 4.435 . 0 0 "[ . 1 . 2]" 1
231 1 18 THR HB 1 45 ILE MD 7.210 . 7.710 3.931 3.232 4.430 . 0 0 "[ . 1 . 2]" 1
232 1 19 TRP HA 1 19 TRP HD1 4.500 . 5.000 2.564 2.452 2.723 . 0 0 "[ . 1 . 2]" 1
233 1 7 TYR H 1 19 TRP QB 8.980 . 9.480 3.825 3.684 4.083 . 0 0 "[ . 1 . 2]" 1
234 1 7 TYR QD 1 19 TRP QB 7.560 . 8.060 3.247 2.651 4.029 . 0 0 "[ . 1 . 2]" 1
235 1 9 TYR QD 1 19 TRP QB 7.560 . 8.060 3.741 3.340 4.089 . 0 0 "[ . 1 . 2]" 1
236 1 7 TYR QB 1 19 TRP QB 5.670 . 6.170 2.258 2.166 2.429 . 0 0 "[ . 1 . 2]" 1
237 1 19 TRP QB 1 26 PRO QG 7.560 . 8.060 2.450 2.223 2.951 . 0 0 "[ . 1 . 2]" 1
238 1 19 TRP QB 1 29 ILE MD . . 8.590 3.642 3.183 4.547 . 0 0 "[ . 1 . 2]" 1
239 1 7 TYR QD 1 19 TRP HE3 6.730 . 7.230 3.039 2.589 3.689 . 0 0 "[ . 1 . 2]" 1
240 1 19 TRP HE3 1 25 THR MG 8.650 . 9.150 3.295 2.737 3.869 . 0 0 "[ . 1 . 2]" 1
241 1 6 LYS QB 1 20 THR HA 6.730 . 7.230 2.915 2.197 3.576 . 0 0 "[ . 1 . 2]" 1
242 1 5 ALA HA 1 20 THR HA 4.500 . 5.000 2.839 2.174 3.618 . 0 0 "[ . 1 . 2]" 1
243 1 6 LYS H 1 20 THR HA 4.500 . 5.000 2.633 2.386 2.991 . 0 0 "[ . 1 . 2]" 1
244 1 20 THR HB 1 22 GLN QG 7.560 . 8.060 3.885 2.858 5.778 . 0 0 "[ . 1 . 2]" 1
245 1 20 THR HB 1 22 GLN QB 8.980 . 9.480 3.949 3.333 5.184 . 0 0 "[ . 1 . 2]" 1
246 1 5 ALA HA 1 20 THR HB 6.000 . 6.500 4.293 2.534 4.830 . 0 0 "[ . 1 . 2]" 1
247 1 20 THR HB 1 22 GLN H 6.000 . 6.500 3.737 3.069 5.369 . 0 0 "[ . 1 . 2]" 1
248 1 7 TYR QD 1 21 GLY QA 7.560 . 8.060 3.484 2.863 3.765 . 0 0 "[ . 1 . 2]" 1
249 1 21 GLY QA 1 22 GLN H . . 5.550 2.949 2.807 2.991 . 0 0 "[ . 1 . 2]" 1
250 1 22 GLN HA 1 23 GLY QA 6.730 . 7.230 4.052 4.014 4.099 . 0 0 "[ . 1 . 2]" 1
251 1 33 MET QB 1 37 GLY H 10.080 . 10.580 5.259 5.107 5.425 . 0 0 "[ . 1 . 2]" 1
252 1 23 GLY QA 1 24 ARG QD . . 10.020 5.045 2.997 6.113 . 0 0 "[ . 1 . 2]" 1
253 1 23 GLY QA 1 24 ARG QB 9.080 . 9.580 3.524 3.278 3.812 . 0 0 "[ . 1 . 2]" 1
254 1 47 GLU QG 1 48 LEU QD 9.080 . 9.580 4.770 4.099 6.033 . 0 0 "[ . 1 . 2]" 1
255 1 25 THR HA 1 26 PRO QG 6.730 . 7.230 3.977 3.951 4.039 . 0 0 "[ . 1 . 2]" 1
256 1 25 THR HA 1 29 ILE MD 9.610 . 10.110 5.157 4.407 6.365 . 0 0 "[ . 1 . 2]" 1
257 1 25 THR HB 1 26 PRO QD 8.090 . 8.590 3.428 2.986 3.892 . 0 0 "[ . 1 . 2]" 1
258 1 25 THR HB 1 30 LYS HA 6.000 . 6.500 4.254 3.872 4.706 . 0 0 "[ . 1 . 2]" 1
259 1 26 PRO HA 1 27 ALA MB 7.210 . 7.710 4.026 3.998 4.053 . 0 0 "[ . 1 . 2]" 1
260 1 9 TYR QE 1 26 PRO QB 7.560 . 8.060 2.812 2.414 3.835 . 0 0 "[ . 1 . 2]" 1
261 1 26 PRO QB 1 29 ILE H . . 7.230 2.832 2.657 3.645 . 0 0 "[ . 1 . 2]" 1
262 1 26 PRO QB 1 29 ILE MD 8.090 . 8.590 3.038 2.171 3.886 . 0 0 "[ . 1 . 2]" 1
263 1 26 PRO QG 1 29 ILE MD . . 8.590 2.883 2.164 4.084 . 0 0 "[ . 1 . 2]" 1
264 1 9 TYR QE 1 26 PRO QG 7.560 . 8.060 2.868 2.564 3.511 . 0 0 "[ . 1 . 2]" 1
265 1 25 THR MG 1 26 PRO QD 8.090 . 8.590 2.348 2.165 2.542 . 0 0 "[ . 1 . 2]" 1
266 1 26 PRO QD 1 29 ILE MD 8.090 . 8.590 2.996 2.266 4.279 . 0 0 "[ . 1 . 2]" 1
267 1 27 ALA HA 1 28 VAL H . . 5.000 3.625 3.612 3.650 . 0 0 "[ . 1 . 2]" 1
268 1 27 ALA HA 1 31 LYS H 6.000 . 6.500 3.944 3.813 4.095 . 0 0 "[ . 1 . 2]" 1
269 1 27 ALA HA 1 30 LYS H 6.000 . 6.500 3.634 3.530 3.845 . 0 0 "[ . 1 . 2]" 1
270 1 27 ALA HA 1 30 LYS QD 7.560 . 8.060 3.647 2.598 5.399 . 0 0 "[ . 1 . 2]" 1
271 1 27 ALA MB 1 28 VAL HA 8.300 . 8.800 3.512 3.095 3.724 . 0 0 "[ . 1 . 2]" 1
272 1 28 VAL HA 1 29 ILE H 6.000 . 6.500 3.557 3.518 3.579 . 0 0 "[ . 1 . 2]" 1
273 1 28 VAL HA 1 32 ALA H 6.000 . 6.500 3.869 3.553 4.073 . 0 0 "[ . 1 . 2]" 1
274 1 28 VAL HA 1 30 LYS H 8.000 . 8.500 4.552 4.407 4.702 . 0 0 "[ . 1 . 2]" 1
275 1 28 VAL HA 1 31 LYS H 6.000 . 6.500 3.408 2.971 3.724 . 0 0 "[ . 1 . 2]" 1
276 1 9 TYR QE 1 28 VAL HB 6.730 . 7.230 3.827 2.905 5.102 . 0 0 "[ . 1 . 2]" 1
277 1 28 VAL HB 1 29 ILE H 6.000 . 6.500 3.216 2.671 4.148 . 0 0 "[ . 1 . 2]" 1
278 1 28 VAL QG 1 43 PHE QE 9.080 . 9.580 3.414 2.969 4.204 . 0 0 "[ . 1 . 2]" 1
279 1 28 VAL QG 1 29 ILE H 8.090 . 8.590 3.013 2.406 3.410 . 0 0 "[ . 1 . 2]" 1
280 1 27 ALA MB 1 28 VAL QG 9.710 . 10.210 3.392 3.030 3.919 . 0 0 "[ . 1 . 2]" 1
281 1 28 VAL QG 1 29 ILE QG 9.080 . 9.580 3.358 2.481 4.059 . 0 0 "[ . 1 . 2]" 1
282 1 27 ALA H 1 28 VAL QG 8.090 . 8.590 4.460 4.288 4.599 . 0 0 "[ . 1 . 2]" 1
283 1 28 VAL QG 1 31 LYS H 8.090 . 8.590 4.457 4.188 4.653 . 0 0 "[ . 1 . 2]" 1
284 1 29 ILE HA 1 32 ALA H 6.000 . 6.500 3.610 3.441 3.889 . 0 0 "[ . 1 . 2]" 1
285 1 29 ILE HA 1 43 PHE QE 8.980 . 9.480 3.365 3.025 3.772 . 0 0 "[ . 1 . 2]" 1
286 1 29 ILE HA 1 43 PHE HZ 6.000 . 6.500 3.475 2.954 4.174 . 0 0 "[ . 1 . 2]" 1
287 1 29 ILE HB 1 30 LYS H . . 4.000 2.596 2.444 2.688 . 0 0 "[ . 1 . 2]" 1
288 1 25 THR MG 1 29 ILE HB 5.400 . 5.900 2.277 2.156 2.538 . 0 0 "[ . 1 . 2]" 1
289 1 26 PRO QB 1 29 ILE HB 6.730 . 7.230 2.900 2.523 4.062 . 0 0 "[ . 1 . 2]" 1
290 1 26 PRO QB 1 29 ILE QG 7.560 . 8.060 2.519 2.168 3.624 . 0 0 "[ . 1 . 2]" 1
291 1 9 TYR QD 1 29 ILE QG 10.080 . 10.580 3.341 2.973 3.924 . 0 0 "[ . 1 . 2]" 1
292 1 25 THR MG 1 29 ILE MD 7.790 . 8.290 2.959 2.410 3.879 . 0 0 "[ . 1 . 2]" 1
293 1 28 VAL QG 1 29 ILE MD 9.710 . 10.210 3.954 2.084 4.801 . 0 0 "[ . 1 . 2]" 1
294 1 29 ILE MD 1 43 PHE QB 8.090 . 8.590 2.413 2.231 3.526 . 0 0 "[ . 1 . 2]" 1
295 1 7 TYR QD 1 29 ILE MD 8.090 . 8.590 4.101 3.013 5.884 . 0 0 "[ . 1 . 2]" 1
296 1 29 ILE MD 1 43 PHE QD 8.090 . 8.590 3.096 2.682 3.381 . 0 0 "[ . 1 . 2]" 1
297 1 28 VAL H 1 29 ILE MG 8.090 . 8.590 4.132 3.948 4.426 . 0 0 "[ . 1 . 2]" 1
298 1 29 ILE MG 1 43 PHE HZ 7.210 . 7.710 4.468 3.615 5.264 . 0 0 "[ . 1 . 2]" 1
299 1 19 TRP HZ3 1 29 ILE MG 7.210 . 7.710 3.217 2.515 3.814 . 0 0 "[ . 1 . 2]" 1
300 1 29 ILE MG 1 40 LEU HA 7.210 . 7.710 3.286 2.665 3.706 . 0 0 "[ . 1 . 2]" 1
301 1 29 ILE MG 1 30 LYS HA 7.210 . 7.710 3.579 3.234 3.787 . 0 0 "[ . 1 . 2]" 1
302 1 29 ILE MG 1 32 ALA MB 7.280 . 7.780 3.297 2.452 3.637 . 0 0 "[ . 1 . 2]" 1
303 1 29 ILE MG 1 30 LYS QB 10.780 . 11.280 4.172 3.766 4.365 . 0 0 "[ . 1 . 2]" 1
304 1 26 PRO QD 1 29 ILE MG 10.780 . 11.280 3.240 2.901 3.476 . 0 0 "[ . 1 . 2]" 1
305 1 30 LYS HA 1 31 LYS H 6.000 . 6.500 3.582 3.540 3.600 . 0 0 "[ . 1 . 2]" 1
306 1 30 LYS HA 1 33 MET H 6.000 . 6.500 3.560 3.354 3.968 . 0 0 "[ . 1 . 2]" 1
307 1 30 LYS QB 1 31 LYS H . . 4.430 2.778 2.412 3.510 . 0 0 "[ . 1 . 2]" 1
308 1 25 THR HB 1 30 LYS QG 8.980 . 9.480 4.445 3.924 4.683 . 0 0 "[ . 1 . 2]" 1
309 1 11 ASP QB 1 17 LYS QG 12.700 . 13.200 4.947 3.733 5.572 . 0 0 "[ . 1 . 2]" 1
310 1 31 LYS HA 1 35 GLU H 6.000 . 6.500 3.640 3.224 3.881 . 0 0 "[ . 1 . 2]" 1
311 1 31 LYS HA 1 32 ALA H 6.730 . 7.230 3.535 3.499 3.580 . 0 0 "[ . 1 . 2]" 1
312 1 31 LYS HA 1 35 GLU QG 6.730 . 7.230 3.516 2.991 4.167 . 0 0 "[ . 1 . 2]" 1
313 1 28 VAL HA 1 31 LYS QD 7.560 . 8.060 4.682 3.154 5.590 . 0 0 "[ . 1 . 2]" 1
314 1 32 ALA HA 1 35 GLU H 6.000 . 6.500 3.752 3.455 4.127 . 0 0 "[ . 1 . 2]" 1
315 1 32 ALA MB 1 43 PHE QD 8.090 . 8.590 4.410 4.061 4.723 . 0 0 "[ . 1 . 2]" 1
316 1 32 ALA MB 1 38 LYS H 7.210 . 7.710 4.064 3.804 4.972 . 0 0 "[ . 1 . 2]" 1
317 1 32 ALA MB 1 33 MET HA 8.090 . 8.590 3.899 3.846 3.969 . 0 0 "[ . 1 . 2]" 1
318 1 31 LYS HA 1 32 ALA MB 11.540 . 12.040 4.700 4.584 4.776 . 0 0 "[ . 1 . 2]" 1
319 1 32 ALA MB 1 42 ASP QB 8.090 . 8.590 4.643 4.345 5.271 . 0 0 "[ . 1 . 2]" 1
320 1 32 ALA MB 1 33 MET QG 8.090 . 8.590 3.405 3.238 3.704 . 0 0 "[ . 1 . 2]" 1
321 1 32 ALA MB 1 36 GLN QB 9.080 . 9.580 3.032 2.769 3.649 . 0 0 "[ . 1 . 2]" 1
322 1 32 ALA MB 1 33 MET QG 7.280 . 7.780 2.817 2.665 3.055 . 0 0 "[ . 1 . 2]" 1
323 1 32 ALA MB 1 33 MET QB 9.080 . 9.580 4.435 4.305 4.676 . 0 0 "[ . 1 . 2]" 1
324 1 32 ALA MB 1 38 LYS QB . . 8.590 2.638 2.380 3.438 . 0 0 "[ . 1 . 2]" 1
325 1 29 ILE HB 1 32 ALA MB 9.610 . 10.110 5.243 5.088 5.473 . 0 0 "[ . 1 . 2]" 1
326 1 29 ILE MG 1 32 ALA MB 8.650 . 9.150 3.822 3.570 4.199 . 0 0 "[ . 1 . 2]" 1
327 1 33 MET HA 1 35 GLU QG 12.100 . 12.600 4.277 3.914 4.540 . 0 0 "[ . 1 . 2]" 1
328 1 33 MET QB 1 34 GLU HA 8.490 . 8.990 3.893 3.811 4.014 . 0 0 "[ . 1 . 2]" 1
329 1 33 MET QG 1 39 GLN H 8.490 . 8.990 3.743 3.344 4.662 . 0 0 "[ . 1 . 2]" 1
330 1 33 MET QG 1 43 PHE QE 7.560 . 8.060 3.516 2.219 4.606 . 0 0 "[ . 1 . 2]" 1
331 1 33 MET QG 1 39 GLN HA . . 5.550 2.841 2.342 4.416 . 0 0 "[ . 1 . 2]" 1
332 1 30 LYS HA 1 33 MET QG 6.730 . 7.230 3.711 2.520 4.244 . 0 0 "[ . 1 . 2]" 1
333 1 32 ALA MB 1 33 MET QG 9.080 . 9.580 3.314 3.117 3.600 . 0 0 "[ . 1 . 2]" 1
334 1 32 ALA MB 1 33 MET QG 12.700 . 13.200 3.373 3.229 3.648 . 0 0 "[ . 1 . 2]" 1
335 1 33 MET QG 1 38 LYS QB 10.080 . 10.580 3.229 2.562 3.943 . 0 0 "[ . 1 . 2]" 1
336 1 34 GLU HA 1 35 GLU H 6.000 . 6.500 3.583 3.521 3.615 . 0 0 "[ . 1 . 2]" 1
337 1 35 GLU HA 1 36 GLN H 6.000 . 6.500 3.479 3.422 3.550 . 0 0 "[ . 1 . 2]" 1
338 1 35 GLU QB 1 36 GLN QE 10.580 . 11.080 4.009 3.041 4.443 . 0 0 "[ . 1 . 2]" 1
339 1 31 LYS QG 1 35 GLU QB 10.900 . 11.400 4.409 2.834 5.591 . 0 0 "[ . 1 . 2]" 1
340 1 30 LYS QG 1 34 GLU QG . . 8.060 3.483 2.567 4.898 . 0 0 "[ . 1 . 2]" 1
341 1 36 GLN QB 1 38 LYS H 8.980 . 9.480 3.145 2.912 3.378 . 0 0 "[ . 1 . 2]" 1
342 1 36 GLN QB 1 37 GLY H . . 7.230 3.536 3.461 3.589 . 0 0 "[ . 1 . 2]" 1
343 1 35 GLU QB 1 36 GLN QB 9.520 . 10.020 4.332 3.977 4.619 . 0 0 "[ . 1 . 2]" 1
344 1 36 GLN QB 1 38 LYS QG . . 6.170 2.515 2.276 2.961 . 0 0 "[ . 1 . 2]" 1
345 1 36 GLN QB 1 38 LYS QD 9.080 . 9.580 2.387 2.150 2.908 . 0 0 "[ . 1 . 2]" 1
346 1 32 ALA MB 1 36 GLN QB 8.090 . 8.590 3.166 2.842 3.903 . 0 0 "[ . 1 . 2]" 1
347 1 32 ALA HA 1 36 GLN QG 6.730 . 7.230 2.911 2.679 3.578 . 0 0 "[ . 1 . 2]" 1
348 1 35 GLU QB 1 36 GLN QG 4.950 . 5.450 2.841 2.451 3.273 . 0 0 "[ . 1 . 2]" 1
349 1 36 GLN H 1 37 GLY QA 7.560 . 8.060 4.105 4.033 4.219 . 0 0 "[ . 1 . 2]" 1
350 1 36 GLN HA 1 37 GLY QA 9.080 . 9.580 4.162 4.071 4.230 . 0 0 "[ . 1 . 2]" 1
351 1 33 MET HA 1 37 GLY QA 6.810 . 7.310 3.574 3.329 3.824 . 0 0 "[ . 1 . 2]" 1
352 1 36 GLN QB 1 37 GLY QA 15.250 . 15.750 4.231 4.162 4.285 . 0 0 "[ . 1 . 2]" 1
353 1 33 MET QG 1 37 GLY QA 14.540 . 15.040 4.199 4.142 4.321 . 0 0 "[ . 1 . 2]" 1
354 1 34 GLU QB 1 37 GLY QA 16.000 . 16.500 5.456 5.179 5.571 . 0 0 "[ . 1 . 2]" 1
355 1 37 GLY QA 1 38 LYS QB 9.520 . 10.020 4.696 4.607 4.823 . 0 0 "[ . 1 . 2]" 1
356 1 37 GLY QA 1 38 LYS QD 16.610 . 17.110 4.153 3.759 4.464 . 0 0 "[ . 1 . 2]" 1
357 1 39 GLN QB 1 41 GLU QB . . 6.060 3.610 3.028 4.122 . 0 0 "[ . 1 . 2]" 1
358 1 39 GLN QB 1 40 LEU QB 7.560 . 8.060 4.091 3.705 4.853 . 0 0 "[ . 1 . 2]" 1
359 1 39 GLN QG 1 41 GLU H 7.560 . 8.060 4.461 2.273 5.149 . 0 0 "[ . 1 . 2]" 1
360 1 38 LYS HA 1 39 GLN QB 8.490 . 8.990 3.352 3.064 3.746 . 0 0 "[ . 1 . 2]" 1
361 1 38 LYS QB 1 43 PHE QE 5.670 . 6.170 2.675 2.259 3.320 . 0 0 "[ . 1 . 2]" 1
362 1 33 MET QG 1 38 LYS QB 9.520 . 10.020 2.966 2.489 3.475 . 0 0 "[ . 1 . 2]" 1
363 1 38 LYS H 1 38 LYS QG . . 3.640 2.511 2.269 2.753 . 0 0 "[ . 1 . 2]" 1
364 1 36 GLN QB 1 38 LYS QG 8.490 . 8.990 2.459 2.257 2.890 . 0 0 "[ . 1 . 2]" 1
365 1 38 LYS QD 1 39 GLN H 7.560 . 8.060 3.948 2.996 5.219 . 0 0 "[ . 1 . 2]" 1
366 1 38 LYS QD 1 43 PHE QE 11.310 . 11.810 4.013 2.772 5.682 . 0 0 "[ . 1 . 2]" 1
367 1 38 LYS QD 1 43 PHE HZ 10.080 . 10.580 4.255 2.604 6.111 . 0 0 "[ . 1 . 2]" 1
368 1 36 GLN QB 1 38 LYS QD 8.580 . 9.080 2.547 2.214 3.003 . 0 0 "[ . 1 . 2]" 1
369 1 40 LEU HA 1 43 PHE H 6.000 . 6.500 3.629 3.512 3.882 . 0 0 "[ . 1 . 2]" 1
370 1 40 LEU HA 1 42 ASP H 6.000 . 6.500 3.810 3.649 4.029 . 0 0 "[ . 1 . 2]" 1
371 1 40 LEU HA 1 43 PHE QE 6.730 . 7.230 4.377 3.973 5.340 . 0 0 "[ . 1 . 2]" 1
372 1 7 TYR QB 1 40 LEU HA 7.560 . 8.060 3.363 3.094 3.768 . 0 0 "[ . 1 . 2]" 1
373 1 7 TYR QE 1 40 LEU QB 7.560 . 8.060 2.886 2.113 3.987 . 0 0 "[ . 1 . 2]" 1
374 1 39 GLN QB 1 40 LEU QB . . 12.600 3.485 3.022 3.893 . 0 0 "[ . 1 . 2]" 1
375 1 33 MET ME 1 40 LEU QB 8.090 . 8.590 3.783 2.159 5.146 . 0 0 "[ . 1 . 2]" 1
376 1 40 LEU QD 1 43 PHE QB 9.080 . 9.580 3.306 2.296 4.542 . 0 0 "[ . 1 . 2]" 1
377 1 7 TYR QB 1 40 LEU QD 10.190 . 10.690 3.106 2.229 4.151 . 0 0 "[ . 1 . 2]" 1
378 1 29 ILE MG 1 40 LEU QD 5.670 . 6.170 2.209 1.991 2.925 . 0 0 "[ . 1 . 2]" 1
379 1 41 GLU HA 1 43 PHE H 6.000 . 6.500 3.579 3.479 3.673 . 0 0 "[ . 1 . 2]" 1
380 1 7 TYR QD 1 41 GLU HA 6.730 . 7.230 4.665 4.332 5.474 . 0 0 "[ . 1 . 2]" 1
381 1 39 GLN QB 1 41 GLU HA 6.730 . 7.230 5.382 5.059 5.888 . 0 0 "[ . 1 . 2]" 1
382 1 41 GLU QB 1 42 ASP H 7.560 . 8.060 3.248 2.943 3.792 . 0 0 "[ . 1 . 2]" 1
383 1 41 GLU QB 1 44 LEU QD 12.240 . 12.740 3.721 2.909 4.428 . 0 0 "[ . 1 . 2]" 1
384 1 42 ASP HA 1 43 PHE H . . 5.000 3.424 3.383 3.485 . 0 0 "[ . 1 . 2]" 1
385 1 39 GLN H 1 42 ASP QB 5.050 . 5.550 2.990 2.638 3.410 . 0 0 "[ . 1 . 2]" 1
386 1 42 ASP QB 1 43 PHE H 6.730 . 7.230 3.117 2.970 3.237 . 0 0 "[ . 1 . 2]" 1
387 1 42 ASP QB 1 43 PHE QD 7.560 . 8.060 2.953 2.648 3.338 . 0 0 "[ . 1 . 2]" 1
388 1 42 ASP QB 1 43 PHE QE 7.560 . 8.060 3.072 2.828 3.662 . 0 0 "[ . 1 . 2]" 1
389 1 38 LYS QD 1 42 ASP QB 9.080 . 9.580 2.817 2.231 3.764 . 0 0 "[ . 1 . 2]" 1
390 1 38 LYS QD 1 42 ASP QB 9.520 . 10.020 3.138 2.251 4.893 . 0 0 "[ . 1 . 2]" 1
391 1 8 SER H 1 43 PHE QB 6.730 . 7.230 2.869 2.626 3.143 . 0 0 "[ . 1 . 2]" 1
392 1 7 TYR QB 1 44 LEU HA 7.560 . 8.060 3.359 3.232 3.550 . 0 0 "[ . 1 . 2]" 1
393 1 44 LEU QB 1 45 ILE H 6.730 . 7.230 3.768 3.667 3.864 . 0 0 "[ . 1 . 2]" 1
394 1 7 TYR QE 1 44 LEU QB 7.560 . 8.060 2.684 2.352 3.114 . 0 0 "[ . 1 . 2]" 1
395 1 44 LEU QB 1 45 ILE QG 7.560 . 8.060 5.390 5.225 5.976 . 0 0 "[ . 1 . 2]" 1
396 1 7 TYR HA 1 44 LEU QD 9.080 . 9.580 3.960 3.736 4.232 . 0 0 "[ . 1 . 2]" 1
397 1 44 LEU QD 1 45 ILE HA 9.080 . 9.580 3.594 2.886 4.638 . 0 0 "[ . 1 . 2]" 1
398 1 44 LEU QB 1 45 ILE HA 7.850 . 8.350 4.093 3.569 4.335 . 0 0 "[ . 1 . 2]" 1
399 1 45 ILE HB 1 46 LYS H 6.000 . 6.500 4.259 4.031 4.438 . 0 0 "[ . 1 . 2]" 1
400 1 7 TYR HA 1 45 ILE HB 8.000 . 8.500 5.350 5.131 5.936 . 0 0 "[ . 1 . 2]" 1
401 1 6 LYS HA 1 45 ILE HB 6.730 . 7.230 4.568 4.324 4.758 . 0 0 "[ . 1 . 2]" 1
402 1 18 THR MG 1 45 ILE HB 9.610 . 10.110 6.097 5.143 6.998 . 0 0 "[ . 1 . 2]" 1
403 1 7 TYR H 1 45 ILE MD 7.210 . 7.710 3.391 3.017 3.830 . 0 0 "[ . 1 . 2]" 1
404 1 6 LYS H 1 45 ILE MD 7.210 . 7.710 3.896 3.103 4.586 . 0 0 "[ . 1 . 2]" 1
405 1 7 TYR H 1 45 ILE MG 8.090 . 8.590 4.841 4.224 5.338 . 0 0 "[ . 1 . 2]" 1
406 1 45 ILE MG 1 46 LYS QB 10.780 . 11.280 5.324 4.694 5.709 . 0 0 "[ . 1 . 2]" 1
407 1 44 LEU QB 1 45 ILE MG 9.080 . 9.580 4.315 4.105 4.437 . 0 0 "[ . 1 . 2]" 1
408 1 46 LYS QB 1 47 GLU H . . 5.550 2.736 1.999 3.880 . 0 0 "[ . 1 . 2]" 1
409 1 6 LYS QB 1 46 LYS QB . . 5.450 2.959 2.316 3.510 . 0 0 "[ . 1 . 2]" 1
410 1 6 LYS QB 1 46 LYS QD 5.090 . 5.590 3.375 2.948 3.636 . 0 0 "[ . 1 . 2]" 1
411 1 45 ILE H 1 48 LEU QB 8.980 . 9.480 6.333 4.825 8.024 . 0 0 "[ . 1 . 2]" 1
412 1 33 MET HA 1 34 GLU H . . 5.000 3.607 3.580 3.640 . 0 0 "[ . 1 . 2]" 1
413 1 1 ALA MB 1 3 ARG H 8.090 . 8.590 2.513 2.318 3.560 . 0 0 "[ . 1 . 2]" 1
414 1 6 LYS QG 1 20 THR HA 6.730 . 7.230 4.881 3.036 5.617 . 0 0 "[ . 1 . 2]" 1
415 1 9 TYR QD 1 10 VAL HA 8.980 . 9.480 4.303 3.821 4.657 . 0 0 "[ . 1 . 2]" 1
416 1 9 TYR HA 1 10 VAL HB 8.000 . 8.500 4.299 3.694 5.476 . 0 0 "[ . 1 . 2]" 1
417 1 11 ASP QB 1 12 GLU HA 8.980 . 9.480 4.699 4.129 4.883 . 0 0 "[ . 1 . 2]" 1
418 1 12 GLU QB 1 13 ASN H . . 5.550 2.462 1.756 3.305 0.044 20 0 "[ . 1 . 2]" 1
419 1 12 GLU QB 1 13 ASN HA 11.310 . 11.810 4.154 3.659 4.333 . 0 0 "[ . 1 . 2]" 1
420 1 12 GLU QG 1 13 ASN H 5.670 . 6.170 3.591 2.318 4.514 . 0 0 "[ . 1 . 2]" 1
421 1 10 VAL QG 1 15 GLU HA 9.080 . 9.580 2.336 1.994 3.416 . 0 0 "[ . 1 . 2]" 1
422 1 9 TYR H 1 16 THR MG 7.210 . 7.710 4.745 3.817 5.137 . 0 0 "[ . 1 . 2]" 1
423 1 30 LYS QG 1 34 GLU QB 7.560 . 8.060 4.174 3.496 5.903 . 0 0 "[ . 1 . 2]" 1
424 1 17 LYS HA 1 18 THR MG 7.210 . 7.710 3.432 3.186 3.708 . 0 0 "[ . 1 . 2]" 1
425 1 18 THR HA 1 19 TRP HA 8.000 . 8.500 4.556 4.529 4.589 . 0 0 "[ . 1 . 2]" 1
426 1 6 LYS H 1 20 THR MG 7.210 . 7.710 3.884 3.332 5.050 . 0 0 "[ . 1 . 2]" 1
427 1 20 THR MG 1 22 GLN H 9.610 . 10.110 4.206 3.091 4.829 . 0 0 "[ . 1 . 2]" 1
428 1 19 TRP HA 1 20 THR MG 7.210 . 7.710 3.470 3.146 5.352 . 0 0 "[ . 1 . 2]" 1
429 1 22 GLN QG 1 23 GLY H 7.560 . 8.060 3.786 2.478 4.544 . 0 0 "[ . 1 . 2]" 1
430 1 23 GLY QA 1 24 ARG HA 6.730 . 7.230 4.064 4.023 4.160 . 0 0 "[ . 1 . 2]" 1
431 1 22 GLN QB 1 23 GLY QA 10.080 . 10.580 3.834 3.611 4.324 . 0 0 "[ . 1 . 2]" 1
432 1 24 ARG QB 1 25 THR H 7.560 . 8.060 2.935 2.531 3.846 . 0 0 "[ . 1 . 2]" 1
433 1 2 ALA HA 1 3 ARG QB 12.950 . 13.450 3.773 3.551 3.987 . 0 0 "[ . 1 . 2]" 1
434 1 19 TRP HZ3 1 25 THR MG 7.210 . 7.710 3.034 2.741 3.473 . 0 0 "[ . 1 . 2]" 1
435 1 25 THR MG 1 29 ILE H 7.210 . 7.710 4.061 3.960 4.256 . 0 0 "[ . 1 . 2]" 1
436 1 25 THR MG 1 29 ILE HA 9.610 . 10.110 4.391 4.278 4.654 . 0 0 "[ . 1 . 2]" 1
437 1 25 THR MG 1 26 PRO QD 6.810 . 7.310 2.335 2.159 2.506 . 0 0 "[ . 1 . 2]" 1
438 1 25 THR MG 1 29 ILE MG 5.050 . 5.550 2.165 2.056 2.295 . 0 0 "[ . 1 . 2]" 1
439 1 9 TYR HA 1 28 VAL QG 8.090 . 8.590 4.495 3.910 5.086 . 0 0 "[ . 1 . 2]" 1
440 1 28 VAL QG 1 29 ILE HA 10.780 . 11.280 3.534 3.335 3.696 . 0 0 "[ . 1 . 2]" 1
441 1 30 LYS HA 1 32 ALA H 6.000 . 6.500 4.612 4.431 4.795 . 0 0 "[ . 1 . 2]" 1
442 1 30 LYS HA 1 33 MET QG 10.080 . 10.580 3.437 2.516 3.971 . 0 0 "[ . 1 . 2]" 1
443 1 28 VAL HA 1 30 LYS QB 6.730 . 7.230 5.191 4.826 6.107 . 0 0 "[ . 1 . 2]" 1
444 1 30 LYS QG 1 31 LYS H 6.730 . 7.230 2.971 2.266 3.467 . 0 0 "[ . 1 . 2]" 1
445 1 31 LYS H 1 32 ALA MB 9.610 . 10.110 4.424 4.394 4.458 . 0 0 "[ . 1 . 2]" 1
446 1 32 ALA H 1 33 MET QG 8.980 . 9.480 4.612 4.337 4.714 . 0 0 "[ . 1 . 2]" 1
447 1 39 GLN QB 1 42 ASP H . . 5.550 3.777 3.460 4.553 . 0 0 "[ . 1 . 2]" 1
448 1 6 LYS QG 1 47 GLU HA 8.490 . 8.990 4.384 3.789 4.703 . 0 0 "[ . 1 . 2]" 1
449 1 44 LEU QD 1 47 GLU HA 9.080 . 9.580 3.750 2.283 5.146 . 0 0 "[ . 1 . 2]" 1
450 1 7 TYR QB 1 40 LEU QD 9.080 . 9.580 3.850 2.899 4.800 . 0 0 "[ . 1 . 2]" 1
451 1 5 ALA H 1 46 LYS QB 10.080 . 10.580 4.963 4.281 5.927 . 0 0 "[ . 1 . 2]" 1
452 1 38 LYS QB 1 40 LEU HA 8.980 . 9.480 5.220 4.742 5.667 . 0 0 "[ . 1 . 2]" 1
453 1 38 LYS QG 1 39 GLN H 8.980 . 9.480 3.799 3.275 4.231 . 0 0 "[ . 1 . 2]" 1
454 1 36 GLN H 1 38 LYS QG 8.980 . 9.480 4.604 4.168 5.199 . 0 0 "[ . 1 . 2]" 1
455 1 7 TYR QD 1 40 LEU QB 10.080 . 10.580 3.947 2.709 4.833 . 0 0 "[ . 1 . 2]" 1
456 1 39 GLN HA 1 40 LEU QB 6.730 . 7.230 4.447 4.024 4.850 . 0 0 "[ . 1 . 2]" 1
457 1 40 LEU QD 1 43 PHE QD 12.100 . 12.600 3.429 2.720 4.413 . 0 0 "[ . 1 . 2]" 1
458 1 19 TRP HH2 1 40 LEU QD 8.090 . 8.590 3.147 2.318 3.667 . 0 0 "[ . 1 . 2]" 1
459 1 24 ARG QD 1 25 THR HA 7.560 . 8.060 6.275 4.111 6.794 . 0 0 "[ . 1 . 2]" 1
460 1 17 LYS QG 1 18 THR HA 8.980 . 9.480 5.518 4.057 6.105 . 0 0 "[ . 1 . 2]" 1
461 1 25 THR H 1 30 LYS HA 8.980 . 9.480 4.132 3.964 4.427 . 0 0 "[ . 1 . 2]" 1
462 1 31 LYS HA 1 34 GLU H 4.500 . 5.000 3.381 3.074 3.770 . 0 0 "[ . 1 . 2]" 1
463 1 31 LYS HA 1 34 GLU QG 7.560 . 8.060 2.972 2.062 3.694 . 0 0 "[ . 1 . 2]" 1
464 1 31 LYS HA 1 34 GLU QB 6.730 . 7.230 3.053 2.377 4.333 . 0 0 "[ . 1 . 2]" 1
465 1 33 MET HA 1 38 LYS QG 8.980 . 9.480 4.444 4.125 5.075 . 0 0 "[ . 1 . 2]" 1
466 1 5 ALA MB 1 6 LYS HA 8.090 . 8.590 3.945 3.815 4.100 . 0 0 "[ . 1 . 2]" 1
467 1 44 LEU QB 1 47 GLU HA 7.850 . 8.350 4.339 3.612 4.636 . 0 0 "[ . 1 . 2]" 1
468 1 44 LEU QB 1 47 GLU HA 7.850 . 8.350 3.997 3.344 4.463 . 0 0 "[ . 1 . 2]" 1
469 1 33 MET ME 1 34 GLU H 9.610 . 10.110 5.315 4.399 6.294 . 0 0 "[ . 1 . 2]" 1
470 1 4 PRO HA 1 5 ALA MB 6.490 . 6.990 3.481 3.190 3.838 . 0 0 "[ . 1 . 2]" 1
471 1 7 TYR QE 1 40 LEU HG 5.050 . 5.550 3.463 2.184 4.621 . 0 0 "[ . 1 . 2]" 1
472 1 32 ALA HA 1 33 MET H 6.000 . 6.500 3.608 3.590 3.624 . 0 0 "[ . 1 . 2]" 1
473 1 6 LYS HA 1 45 ILE QG 5.670 . 6.170 3.422 2.606 4.382 . 0 0 "[ . 1 . 2]" 1
474 1 6 LYS QB 1 7 TYR QB 12.000 . 12.500 3.630 2.996 3.978 . 0 0 "[ . 1 . 2]" 1
475 1 7 TYR QB 1 19 TRP HZ3 6.730 . 7.230 4.294 3.992 4.750 . 0 0 "[ . 1 . 2]" 1
476 1 21 GLY QA 1 22 GLN HA 8.980 . 9.480 4.149 4.117 4.174 . 0 0 "[ . 1 . 2]" 1
477 1 10 VAL HA 1 17 LYS H . . 5.000 4.194 3.932 4.465 . 0 0 "[ . 1 . 2]" 1
478 1 7 TYR HA 1 45 ILE H . . 3.300 2.733 2.536 2.858 . 0 0 "[ . 1 . 2]" 1
479 1 8 SER HA 1 17 LYS H 8.000 . 8.500 4.766 4.678 4.888 . 0 0 "[ . 1 . 2]" 1
480 1 12 GLU HA 1 13 ASN H 5.050 . 5.550 3.310 2.652 3.508 . 0 0 "[ . 1 . 2]" 1
481 1 28 VAL HA 1 30 LYS QG 6.730 . 7.230 5.766 4.508 6.056 . 0 0 "[ . 1 . 2]" 1
482 1 8 SER QB 1 17 LYS H 8.980 . 9.480 4.999 4.054 5.707 . 0 0 "[ . 1 . 2]" 1
483 1 15 GLU QB 1 16 THR HA 10.080 . 10.580 4.536 4.240 5.006 . 0 0 "[ . 1 . 2]" 1
484 1 27 ALA HA 1 30 LYS QG 6.730 . 7.230 3.700 2.204 4.605 . 0 0 "[ . 1 . 2]" 1
485 1 5 ALA HA 1 20 THR HA 3.930 . 4.430 2.773 2.168 3.521 . 0 0 "[ . 1 . 2]" 1
486 1 9 TYR H 1 18 THR MG 7.210 . 7.710 4.034 3.679 4.710 . 0 0 "[ . 1 . 2]" 1
487 1 26 PRO HA 1 28 VAL HB 8.000 . 8.500 6.656 6.207 7.407 . 0 0 "[ . 1 . 2]" 1
488 1 30 LYS QG 1 31 LYS QB 5.560 . 6.060 4.142 3.645 4.480 . 0 0 "[ . 1 . 2]" 1
489 1 40 LEU QB 1 41 GLU QB 6.470 . 6.970 3.354 3.066 3.537 . 0 0 "[ . 1 . 2]" 1
490 1 38 LYS QE 1 42 ASP QB 4.410 . 4.910 3.395 2.548 3.565 . 0 0 "[ . 1 . 2]" 1
491 1 7 TYR QE 1 44 LEU HG 6.730 . 7.230 3.619 2.576 5.350 . 0 0 "[ . 1 . 2]" 1
492 1 39 GLN HA 1 40 LEU H 2.800 . 3.300 2.462 2.329 2.594 . 0 0 "[ . 1 . 2]" 1
493 1 39 GLN QB 1 40 LEU H 3.770 . 4.270 2.426 2.206 2.623 . 0 0 "[ . 1 . 2]" 1
494 1 39 GLN QB 1 40 LEU H 5.050 . 5.550 2.551 2.214 3.516 . 0 0 "[ . 1 . 2]" 1
495 1 48 LEU H 1 48 LEU QB 3.360 . 3.860 2.510 2.149 2.680 . 0 0 "[ . 1 . 2]" 1
496 1 11 ASP H 1 15 GLU H 6.000 . 6.500 5.616 4.839 6.102 . 0 0 "[ . 1 . 2]" 1
497 1 14 GLY QA 1 15 GLU H 3.930 . 4.430 2.309 2.222 2.736 . 0 0 "[ . 1 . 2]" 1
498 1 13 ASN QB 1 15 GLU H 7.560 . 8.060 5.938 3.090 6.813 . 0 0 "[ . 1 . 2]" 1
499 1 10 VAL QG 1 15 GLU H 9.080 . 9.580 3.250 3.020 3.772 . 0 0 "[ . 1 . 2]" 1
500 1 43 PHE H 1 44 LEU H 2.800 . 3.300 2.010 1.939 2.128 . 0 0 "[ . 1 . 2]" 1
501 1 44 LEU H 1 44 LEU QB 3.360 . 3.860 2.090 2.046 2.138 . 0 0 "[ . 1 . 2]" 1
502 1 6 LYS HA 1 47 GLU H 3.930 . 4.430 3.329 2.850 3.519 . 0 0 "[ . 1 . 2]" 1
503 1 24 ARG QB 1 25 THR H 3.770 . 4.270 2.738 2.515 2.997 . 0 0 "[ . 1 . 2]" 1
504 1 32 ALA H 1 33 MET H 2.800 . 3.300 2.812 2.802 2.833 . 0 0 "[ . 1 . 2]" 1
505 1 31 LYS H 1 32 ALA H 2.800 . 3.300 2.817 2.801 2.828 . 0 0 "[ . 1 . 2]" 1
506 1 32 ALA H 1 32 ALA HA 2.800 . 3.300 2.849 2.834 2.860 . 0 0 "[ . 1 . 2]" 1
507 1 10 VAL HB 1 16 THR H 3.660 . 4.160 3.056 2.804 3.131 . 0 0 "[ . 1 . 2]" 1
508 1 47 GLU HA 1 49 GLU H 3.140 . 3.640 2.634 2.207 2.880 . 0 0 "[ . 1 . 2]" 1
509 1 49 GLU H 1 49 GLU QB 3.530 . 4.030 2.651 2.226 3.173 . 0 0 "[ . 1 . 2]" 1
510 1 30 LYS H 1 31 LYS H 2.800 . 3.300 2.827 2.802 2.844 . 0 0 "[ . 1 . 2]" 1
511 1 9 TYR H 1 9 TYR QD 3.140 . 3.640 2.841 2.815 2.861 . 0 0 "[ . 1 . 2]" 1
512 1 6 LYS H 1 7 TYR H 2.800 . 3.300 1.882 1.787 2.030 0.013 13 0 "[ . 1 . 2]" 1
513 1 39 GLN H 1 42 ASP H 5.050 . 5.550 3.479 3.206 3.753 . 0 0 "[ . 1 . 2]" 1
514 1 41 GLU H 1 42 ASP H 2.800 . 3.300 2.847 2.827 2.875 . 0 0 "[ . 1 . 2]" 1
515 1 42 ASP H 1 43 PHE H 2.800 . 3.300 2.603 2.507 2.657 . 0 0 "[ . 1 . 2]" 1
516 1 40 LEU HA 1 42 ASP H 3.930 . 4.430 3.254 3.191 3.325 . 0 0 "[ . 1 . 2]" 1
517 1 38 LYS QB 1 42 ASP H 4.720 . 5.220 3.159 2.896 3.664 . 0 0 "[ . 1 . 2]" 1
518 1 39 GLN H 1 39 GLN QB 3.140 . 3.640 2.657 2.509 2.931 . 0 0 "[ . 1 . 2]" 1
519 1 6 LYS HA 1 7 TYR H 3.500 . 4.000 3.450 3.367 3.529 . 0 0 "[ . 1 . 2]" 1
520 1 34 GLU H 1 35 GLU H 2.800 . 3.300 2.750 2.556 2.818 . 0 0 "[ . 1 . 2]" 1
521 1 30 LYS QB 1 31 LYS H 3.530 . 4.030 2.438 2.237 2.583 . 0 0 "[ . 1 . 2]" 1
522 1 27 ALA HA 1 31 LYS H 5.050 . 5.550 3.325 3.260 3.378 . 0 0 "[ . 1 . 2]" 1
523 1 37 GLY H 1 38 LYS H 2.800 . 3.300 2.787 2.698 2.812 . 0 0 "[ . 1 . 2]" 1
524 1 43 PHE H 1 43 PHE QD 3.140 . 3.640 2.779 2.595 2.823 . 0 0 "[ . 1 . 2]" 1
525 1 12 GLU HA 1 13 ASN H 4.500 . 5.000 3.476 2.680 3.643 . 0 0 "[ . 1 . 2]" 1
526 1 7 TYR QB 1 8 SER H 5.670 . 6.170 2.451 2.329 2.548 . 0 0 "[ . 1 . 2]" 1
527 1 35 GLU H 1 36 GLN H 2.800 . 3.300 2.375 2.243 2.724 . 0 0 "[ . 1 . 2]" 1
528 1 35 GLU H 1 35 GLU QG 3.530 . 4.030 2.617 2.319 2.836 . 0 0 "[ . 1 . 2]" 1
529 1 32 ALA HA 1 36 GLN H 4.500 . 5.000 3.233 2.921 3.822 . 0 0 "[ . 1 . 2]" 1
530 1 36 GLN H 1 36 GLN QB 3.530 . 4.030 2.422 2.329 2.474 . 0 0 "[ . 1 . 2]" 1
531 1 39 GLN QB 1 41 GLU H 3.530 . 4.030 2.337 2.105 2.849 . 0 0 "[ . 1 . 2]" 1
532 1 40 LEU QB 1 41 GLU H 3.530 . 4.030 2.806 2.619 2.859 . 0 0 "[ . 1 . 2]" 1
533 1 10 VAL QG 1 14 GLY H 5.300 . 5.800 3.131 2.161 3.953 . 0 0 "[ . 1 . 2]" 1
534 1 13 ASN QB 1 14 GLY H 7.560 . 8.060 3.418 2.983 3.934 . 0 0 "[ . 1 . 2]" 1
535 1 45 ILE MG 1 46 LYS H 6.490 . 6.990 4.043 2.928 4.218 . 0 0 "[ . 1 . 2]" 1
536 1 44 LEU QB 1 46 LYS H 3.530 . 4.030 2.481 2.232 2.907 . 0 0 "[ . 1 . 2]" 1
537 1 6 LYS QB 1 46 LYS H 5.670 . 6.170 3.121 2.558 3.727 . 0 0 "[ . 1 . 2]" 1
538 1 36 GLN H 1 37 GLY H 2.800 . 3.300 2.184 2.095 2.326 . 0 0 "[ . 1 . 2]" 1
539 1 36 GLN HA 1 37 GLY H 4.500 . 5.000 3.299 3.258 3.355 . 0 0 "[ . 1 . 2]" 1
540 1 17 LYS QG 1 18 THR H 3.660 . 4.160 2.775 2.576 2.854 . 0 0 "[ . 1 . 2]" 1
541 1 29 ILE H 1 30 LYS H 2.800 . 3.300 2.694 2.610 2.814 . 0 0 "[ . 1 . 2]" 1
542 1 5 ALA H 1 18 THR HB 8.000 . 8.500 5.593 5.124 6.083 . 0 0 "[ . 1 . 2]" 1
543 1 4 PRO QG 1 5 ALA H 10.080 . 10.580 4.291 3.989 4.785 . 0 0 "[ . 1 . 2]" 1
544 1 7 TYR H 1 19 TRP H 4.500 . 5.000 2.863 2.806 2.948 . 0 0 "[ . 1 . 2]" 1
545 1 7 TYR H 1 45 ILE H 8.000 . 8.500 4.635 4.530 4.779 . 0 0 "[ . 1 . 2]" 1
546 1 7 TYR H 1 7 TYR QD 5.050 . 5.550 2.772 2.532 3.069 . 0 0 "[ . 1 . 2]" 1
547 1 6 LYS QG 1 7 TYR H 6.730 . 7.230 4.135 3.969 4.461 . 0 0 "[ . 1 . 2]" 1
548 1 6 LYS QG 1 7 TYR H 10.460 . 10.960 3.947 3.734 4.282 . 0 0 "[ . 1 . 2]" 1
549 1 8 SER H 1 45 ILE QG 8.980 . 9.480 3.958 2.590 4.998 . 0 0 "[ . 1 . 2]" 1
550 1 9 TYR H 1 17 LYS H 3.500 . 4.000 3.034 2.927 3.190 . 0 0 "[ . 1 . 2]" 1
551 1 9 TYR H 1 16 THR HA 8.000 . 8.500 6.407 6.237 6.520 . 0 0 "[ . 1 . 2]" 1
552 1 9 TYR H 1 17 LYS QG 11.060 . 11.560 3.805 3.619 4.144 . 0 0 "[ . 1 . 2]" 1
553 1 9 TYR QD 1 10 VAL H 5.050 . 5.550 3.154 2.785 3.526 . 0 0 "[ . 1 . 2]" 1
554 1 11 ASP H 1 12 GLU H 6.000 . 6.500 2.988 1.869 4.376 . 0 0 "[ . 1 . 2]" 1
555 1 11 ASP H 1 14 GLY H 6.000 . 6.500 3.631 3.028 4.582 . 0 0 "[ . 1 . 2]" 1
556 1 10 VAL H 1 11 ASP H 8.000 . 8.500 4.461 4.245 4.562 . 0 0 "[ . 1 . 2]" 1
557 1 12 GLU H 1 13 ASN H 4.500 . 5.000 2.787 2.102 4.379 . 0 0 "[ . 1 . 2]" 1
558 1 13 ASN H 1 14 GLY QA 6.730 . 7.230 4.713 4.359 4.915 . 0 0 "[ . 1 . 2]" 1
559 1 11 ASP QB 1 13 ASN H 6.730 . 7.230 4.073 2.727 6.089 . 0 0 "[ . 1 . 2]" 1
560 1 12 GLU QB 1 14 GLY H 8.090 . 8.590 4.298 2.673 4.812 . 0 0 "[ . 1 . 2]" 1
561 1 12 GLU QB 1 14 GLY H 10.080 . 10.580 4.287 2.674 4.745 . 0 0 "[ . 1 . 2]" 1
562 1 12 GLU HA 1 14 GLY H 4.500 . 5.000 4.269 3.594 4.577 . 0 0 "[ . 1 . 2]" 1
563 1 14 GLY H 1 15 GLU HA 8.000 . 8.500 5.149 4.381 5.563 . 0 0 "[ . 1 . 2]" 1
564 1 13 ASN HA 1 14 GLY H 4.500 . 5.000 3.415 3.209 3.508 . 0 0 "[ . 1 . 2]" 1
565 1 15 GLU H 1 16 THR H 8.000 . 8.500 4.536 3.878 4.726 . 0 0 "[ . 1 . 2]" 1
566 1 11 ASP H 1 16 THR H 8.000 . 8.500 4.146 3.696 4.688 . 0 0 "[ . 1 . 2]" 1
567 1 10 VAL QG 1 17 LYS H 9.080 . 9.580 4.901 4.360 5.337 . 0 0 "[ . 1 . 2]" 1
568 1 18 THR H 1 19 TRP H 8.000 . 8.500 4.517 4.484 4.574 . 0 0 "[ . 1 . 2]" 1
569 1 17 LYS QG 1 18 THR H 8.980 . 9.480 3.596 3.046 4.290 . 0 0 "[ . 1 . 2]" 1
570 1 6 LYS QG 1 19 TRP H 8.300 . 8.800 3.574 3.479 3.683 . 0 0 "[ . 1 . 2]" 1
571 1 19 TRP HE1 1 22 GLN H 4.500 . 5.000 3.058 2.563 3.564 . 0 0 "[ . 1 . 2]" 1
572 1 20 THR HA 1 22 GLN H 6.730 . 7.230 3.562 3.032 4.668 . 0 0 "[ . 1 . 2]" 1
573 1 22 GLN QB 1 23 GLY H 6.730 . 7.230 2.866 2.422 3.700 . 0 0 "[ . 1 . 2]" 1
574 1 24 ARG QD 1 25 THR H 10.080 . 10.580 4.480 3.402 5.181 . 0 0 "[ . 1 . 2]" 1
575 1 27 ALA H 1 28 VAL H 6.000 . 6.500 3.130 3.062 3.338 . 0 0 "[ . 1 . 2]" 1
576 1 26 PRO QB 1 27 ALA H 6.730 . 7.230 3.024 2.842 3.203 . 0 0 "[ . 1 . 2]" 1
577 1 26 PRO QB 1 28 VAL H 6.730 . 7.230 3.552 3.415 3.708 . 0 0 "[ . 1 . 2]" 1
578 1 26 PRO QG 1 28 VAL H 7.210 . 7.710 4.630 4.372 4.721 . 0 0 "[ . 1 . 2]" 1
579 1 28 VAL H 1 30 LYS QB 11.540 . 12.040 4.486 4.123 4.664 . 0 0 "[ . 1 . 2]" 1
580 1 28 VAL H 1 29 ILE H 3.500 . 4.000 2.777 2.669 2.845 . 0 0 "[ . 1 . 2]" 1
581 1 28 VAL H 1 30 LYS H 6.000 . 6.500 4.330 4.233 4.523 . 0 0 "[ . 1 . 2]" 1
582 1 29 ILE MG 1 30 LYS H 7.210 . 7.710 3.354 3.012 3.498 . 0 0 "[ . 1 . 2]" 1
583 1 29 ILE HA 1 30 LYS H 6.000 . 6.500 3.596 3.571 3.621 . 0 0 "[ . 1 . 2]" 1
584 1 30 LYS H 1 32 ALA H 6.000 . 6.500 4.322 4.228 4.429 . 0 0 "[ . 1 . 2]" 1
585 1 28 VAL H 1 30 LYS H 8.980 . 9.480 4.042 3.968 4.208 . 0 0 "[ . 1 . 2]" 1
586 1 30 LYS H 1 32 ALA H 9.610 . 10.110 4.271 4.146 4.378 . 0 0 "[ . 1 . 2]" 1
587 1 31 LYS HA 1 32 ALA H 4.500 . 5.000 3.575 3.537 3.608 . 0 0 "[ . 1 . 2]" 1
588 1 27 ALA HA 1 32 ALA H 8.980 . 9.480 4.521 4.364 4.677 . 0 0 "[ . 1 . 2]" 1
589 1 32 ALA H 1 33 MET QB 10.780 . 11.280 4.494 4.369 4.888 . 0 0 "[ . 1 . 2]" 1
590 1 31 LYS QG 1 32 ALA H 8.090 . 8.590 4.099 3.859 4.307 . 0 0 "[ . 1 . 2]" 1
591 1 28 VAL HB 1 32 ALA H 11.060 . 11.560 4.904 4.773 5.329 . 0 0 "[ . 1 . 2]" 1
592 1 33 MET H 1 34 GLU H 3.500 . 4.000 2.820 2.733 2.951 . 0 0 "[ . 1 . 2]" 1
593 1 31 LYS QG 1 33 MET H 10.080 . 10.580 3.765 3.439 4.253 . 0 0 "[ . 1 . 2]" 1
594 1 29 ILE MG 1 33 MET H 7.210 . 7.710 4.210 3.999 4.556 . 0 0 "[ . 1 . 2]" 1
595 1 32 ALA H 1 34 GLU H 6.730 . 7.230 3.807 3.676 3.941 . 0 0 "[ . 1 . 2]" 1
596 1 30 LYS HA 1 34 GLU H 6.000 . 6.500 4.168 3.981 4.505 . 0 0 "[ . 1 . 2]" 1
597 1 33 MET QG 1 34 GLU H 5.050 . 5.550 4.226 3.938 4.357 . 0 0 "[ . 1 . 2]" 1
598 1 30 LYS QB 1 34 GLU H 8.650 . 9.150 4.195 4.052 4.497 . 0 0 "[ . 1 . 2]" 1
599 1 35 GLU H 1 37 GLY H 6.000 . 6.500 3.825 3.540 4.258 . 0 0 "[ . 1 . 2]" 1
600 1 34 GLU H 1 36 GLN H 8.000 . 8.500 4.206 3.983 4.365 . 0 0 "[ . 1 . 2]" 1
601 1 33 MET HA 1 36 GLN H 5.050 . 5.550 3.348 3.290 3.394 . 0 0 "[ . 1 . 2]" 1
602 1 36 GLN QB 1 37 GLY H 7.560 . 8.060 3.408 3.346 3.460 . 0 0 "[ . 1 . 2]" 1
603 1 35 GLU QG 1 37 GLY H 8.090 . 8.590 3.382 3.322 3.427 . 0 0 "[ . 1 . 2]" 1
604 1 34 GLU HA 1 37 GLY H 8.000 . 8.500 4.445 4.045 4.732 . 0 0 "[ . 1 . 2]" 1
605 1 33 MET HA 1 37 GLY H 7.210 . 7.710 3.575 3.452 3.740 . 0 0 "[ . 1 . 2]" 1
606 1 38 LYS H 1 39 GLN H 8.000 . 8.500 4.621 4.579 4.661 . 0 0 "[ . 1 . 2]" 1
607 1 33 MET QG 1 38 LYS H 7.560 . 8.060 3.072 2.867 3.274 . 0 0 "[ . 1 . 2]" 1
608 1 36 GLN QB 1 38 LYS H 7.560 . 8.060 3.115 2.888 3.337 . 0 0 "[ . 1 . 2]" 1
609 1 38 LYS QD 1 39 GLN H 6.070 . 6.570 3.300 2.925 3.830 . 0 0 "[ . 1 . 2]" 1
610 1 39 GLN H 1 42 ASP H 6.000 . 6.500 3.643 3.292 4.012 . 0 0 "[ . 1 . 2]" 1
611 1 40 LEU H 1 41 GLU H 2.800 . 3.300 2.817 2.756 2.854 . 0 0 "[ . 1 . 2]" 1
612 1 40 LEU QD 1 41 GLU H 10.780 . 11.280 4.123 3.821 4.289 . 0 0 "[ . 1 . 2]" 1
613 1 39 GLN HA 1 41 GLU H 6.000 . 6.500 4.447 4.330 4.653 . 0 0 "[ . 1 . 2]" 1
614 1 40 LEU QB 1 42 ASP H 7.850 . 8.350 4.115 4.012 4.213 . 0 0 "[ . 1 . 2]" 1
615 1 42 ASP H 1 43 PHE QB 8.980 . 9.480 4.620 4.535 4.718 . 0 0 "[ . 1 . 2]" 1
616 1 39 GLN HA 1 42 ASP H 8.000 . 8.500 4.953 4.771 5.121 . 0 0 "[ . 1 . 2]" 1
617 1 42 ASP H 1 44 LEU H 6.000 . 6.500 3.971 3.843 4.037 . 0 0 "[ . 1 . 2]" 1
618 1 42 ASP H 1 43 PHE QD 5.050 . 5.550 3.671 3.416 3.836 . 0 0 "[ . 1 . 2]" 1
619 1 41 GLU H 1 43 PHE H 8.000 . 8.500 4.250 4.170 4.370 . 0 0 "[ . 1 . 2]" 1
620 1 43 PHE H 1 43 PHE QE 6.730 . 7.230 4.730 4.512 4.838 . 0 0 "[ . 1 . 2]" 1
621 1 7 TYR QD 1 43 PHE H 6.730 . 7.230 4.117 3.788 4.463 . 0 0 "[ . 1 . 2]" 1
622 1 40 LEU HA 1 43 PHE H 5.050 . 5.550 3.208 3.136 3.330 . 0 0 "[ . 1 . 2]" 1
623 1 40 LEU QB 1 43 PHE H 5.880 . 6.380 3.478 3.354 3.638 . 0 0 "[ . 1 . 2]" 1
624 1 44 LEU H 1 48 LEU QD 6.070 . 6.570 4.231 3.857 4.545 . 0 0 "[ . 1 . 2]" 1
625 1 41 GLU QG 1 44 LEU H 8.980 . 9.480 4.823 4.322 5.186 . 0 0 "[ . 1 . 2]" 1
626 1 7 TYR QB 1 44 LEU H 7.560 . 8.060 3.024 2.922 3.263 . 0 0 "[ . 1 . 2]" 1
627 1 42 ASP HA 1 44 LEU H 6.000 . 6.500 4.515 4.223 4.678 . 0 0 "[ . 1 . 2]" 1
628 1 43 PHE HA 1 44 LEU H 4.500 . 5.000 3.445 3.333 3.493 . 0 0 "[ . 1 . 2]" 1
629 1 7 TYR QE 1 44 LEU H 8.980 . 9.480 4.235 3.357 4.635 . 0 0 "[ . 1 . 2]" 1
630 1 7 TYR QD 1 44 LEU H 5.050 . 5.550 3.063 2.869 3.272 . 0 0 "[ . 1 . 2]" 1
631 1 43 PHE QD 1 44 LEU H 8.980 . 9.480 4.337 4.087 4.516 . 0 0 "[ . 1 . 2]" 1
632 1 44 LEU H 1 45 ILE H 6.000 . 6.500 4.539 4.497 4.608 . 0 0 "[ . 1 . 2]" 1
633 1 44 LEU QB 1 45 ILE H 5.400 . 5.900 3.337 2.729 3.612 . 0 0 "[ . 1 . 2]" 1
634 1 7 TYR QD 1 45 ILE H 6.730 . 7.230 4.331 3.964 4.721 . 0 0 "[ . 1 . 2]" 1
635 1 6 LYS QG 1 47 GLU H 6.730 . 7.230 3.504 2.374 4.859 . 0 0 "[ . 1 . 2]" 1
636 1 6 LYS QB 1 47 GLU H 10.780 . 11.280 3.698 2.147 4.564 . 0 0 "[ . 1 . 2]" 1
637 1 44 LEU QB 1 47 GLU H 10.460 . 10.960 3.719 2.689 4.819 . 0 0 "[ . 1 . 2]" 1
638 1 47 GLU QB 1 48 LEU H 8.090 . 8.590 3.367 2.372 3.766 . 0 0 "[ . 1 . 2]" 1
639 1 47 GLU QB 1 48 LEU H 6.730 . 7.230 3.573 2.374 4.035 . 0 0 "[ . 1 . 2]" 1
640 1 6 LYS QD 1 49 GLU H 6.070 . 6.570 3.215 2.427 3.953 . 0 0 "[ . 1 . 2]" 1
641 1 48 LEU QB 1 49 GLU H 7.210 . 7.710 3.208 2.420 3.764 . 0 0 "[ . 1 . 2]" 1
642 1 32 ALA H 1 34 GLU H 6.000 . 6.500 4.358 4.255 4.586 . 0 0 "[ . 1 . 2]" 1
643 1 8 SER H 1 18 THR HB 6.730 . 7.230 4.024 3.907 4.235 . 0 0 "[ . 1 . 2]" 1
644 1 7 TYR QB 1 19 TRP H 6.730 . 7.230 3.221 2.738 3.499 . 0 0 "[ . 1 . 2]" 1
645 1 26 PRO QG 1 27 ALA H 8.980 . 9.480 4.545 4.461 4.615 . 0 0 "[ . 1 . 2]" 1
646 1 30 LYS QG 1 32 ALA H 8.980 . 9.480 5.119 4.667 5.516 . 0 0 "[ . 1 . 2]" 1
647 1 33 MET H 1 38 LYS H 8.000 . 8.500 4.681 4.445 5.253 . 0 0 "[ . 1 . 2]" 1
648 1 32 ALA HA 1 34 GLU H 8.000 . 8.500 4.619 4.313 4.798 . 0 0 "[ . 1 . 2]" 1
649 1 35 GLU H 1 36 GLN HA 6.000 . 6.500 5.134 5.021 5.426 . 0 0 "[ . 1 . 2]" 1
650 1 7 TYR QE 1 43 PHE H 8.980 . 9.480 5.294 4.185 5.860 . 0 0 "[ . 1 . 2]" 1
651 1 43 PHE H 1 44 LEU HA 8.000 . 8.500 4.705 4.571 4.839 . 0 0 "[ . 1 . 2]" 1
652 1 38 LYS QB 1 43 PHE H 10.780 . 11.280 4.434 4.302 4.689 . 0 0 "[ . 1 . 2]" 1
653 1 40 LEU QD 1 43 PHE H 12.950 . 13.450 4.105 3.651 4.562 . 0 0 "[ . 1 . 2]" 1
654 1 43 PHE QB 1 44 LEU H 8.980 . 9.480 3.080 2.971 3.335 . 0 0 "[ . 1 . 2]" 1
655 1 41 GLU HA 1 45 ILE H 6.000 . 6.500 6.115 6.083 6.173 . 0 0 "[ . 1 . 2]" 1
656 1 5 ALA MB 1 45 ILE H 7.210 . 7.710 5.956 5.836 6.058 . 0 0 "[ . 1 . 2]" 1
657 1 6 LYS QG 1 45 ILE H 8.980 . 9.480 3.853 3.290 5.638 . 0 0 "[ . 1 . 2]" 1
658 1 45 ILE H 1 46 LYS H . . 6.500 2.252 2.130 2.366 . 0 0 "[ . 1 . 2]" 1
659 1 44 LEU QB 1 46 LYS H 7.210 . 7.710 3.942 3.871 4.030 . 0 0 "[ . 1 . 2]" 1
660 1 45 ILE QG 1 46 LYS H 8.980 . 9.480 3.200 2.564 3.914 . 0 0 "[ . 1 . 2]" 1
661 1 45 ILE MD 1 46 LYS H 9.610 . 10.110 3.600 2.288 4.663 . 0 0 "[ . 1 . 2]" 1
662 1 35 GLU QB 1 36 GLN QE 12.700 . 13.200 4.373 3.072 5.096 . 0 0 "[ . 1 . 2]" 1
663 1 31 LYS H 1 31 LYS QD 4.410 . 4.910 3.573 2.613 3.931 . 0 0 "[ . 1 . 2]" 1
664 1 24 ARG QG 1 25 THR H 6.730 . 7.230 3.905 2.695 4.531 . 0 0 "[ . 1 . 2]" 1
665 1 12 GLU QB 1 13 ASN QD . . 8.060 5.164 2.575 6.052 . 0 0 "[ . 1 . 2]" 1
666 1 32 ALA MB 1 36 GLN QE 10.780 . 11.280 4.841 4.006 6.225 . 0 0 "[ . 1 . 2]" 1
667 1 17 LYS QD 1 18 THR H 6.730 . 7.230 4.080 3.124 4.853 . 0 0 "[ . 1 . 2]" 1
668 1 35 GLU QB 1 37 GLY H 7.560 . 8.060 4.850 4.764 4.910 . 0 0 "[ . 1 . 2]" 1
669 1 9 TYR H 1 17 LYS QB 8.980 . 9.480 4.346 3.996 5.229 . 0 0 "[ . 1 . 2]" 1
670 1 9 TYR H 1 17 LYS HA 8.000 . 8.500 4.874 4.621 5.029 . 0 0 "[ . 1 . 2]" 1
671 1 33 MET QG 1 40 LEU H 6.730 . 7.230 4.190 3.715 4.957 . 0 0 "[ . 1 . 2]" 1
672 1 6 LYS H 1 7 TYR QD 8.980 . 9.480 3.500 2.905 4.170 . 0 0 "[ . 1 . 2]" 1
673 1 8 SER H 1 9 TYR H 6.000 . 6.500 4.406 4.325 4.489 . 0 0 "[ . 1 . 2]" 1
674 1 8 SER H 1 45 ILE H 8.000 . 8.500 4.450 4.173 4.696 . 0 0 "[ . 1 . 2]" 1
675 1 10 VAL H 1 43 PHE QD 6.730 . 7.230 4.314 4.029 4.575 . 0 0 "[ . 1 . 2]" 1
676 1 9 TYR QE 1 10 VAL H 8.980 . 9.480 5.426 5.071 5.778 . 0 0 "[ . 1 . 2]" 1
677 1 11 ASP H 1 13 ASN H 6.000 . 6.500 4.512 2.956 5.604 . 0 0 "[ . 1 . 2]" 1
678 1 17 LYS H 1 18 THR H 6.000 . 6.500 4.443 4.415 4.468 . 0 0 "[ . 1 . 2]" 1
679 1 19 TRP HD1 1 22 GLN H 6.000 . 6.500 4.242 4.019 4.622 . 0 0 "[ . 1 . 2]" 1
680 1 23 GLY H 1 24 ARG H 6.000 . 6.500 4.562 4.222 4.659 . 0 0 "[ . 1 . 2]" 1
681 1 22 GLN H 1 23 GLY H 8.000 . 8.500 4.590 4.470 4.681 . 0 0 "[ . 1 . 2]" 1
682 1 9 TYR QD 1 28 VAL H 6.730 . 7.230 4.779 4.279 5.773 . 0 0 "[ . 1 . 2]" 1
683 1 28 VAL H 1 29 ILE QG 8.980 . 9.480 4.400 4.141 5.723 . 0 0 "[ . 1 . 2]" 1
684 1 28 VAL H 1 29 ILE MD 9.610 . 10.110 5.414 3.849 5.766 . 0 0 "[ . 1 . 2]" 1
685 1 29 ILE H 1 30 LYS QB 6.730 . 7.230 4.397 4.192 5.064 . 0 0 "[ . 1 . 2]" 1
686 1 29 ILE QG 1 30 LYS H 6.730 . 7.230 4.072 3.917 4.450 . 0 0 "[ . 1 . 2]" 1
687 1 37 GLY H 1 38 LYS QG 6.730 . 7.230 4.557 4.278 4.853 . 0 0 "[ . 1 . 2]" 1
688 1 40 LEU H 1 43 PHE QD 8.980 . 9.480 4.937 4.664 5.461 . 0 0 "[ . 1 . 2]" 1
689 1 40 LEU H 1 40 LEU QB 3.360 . 3.860 2.199 2.066 2.462 . 0 0 "[ . 1 . 2]" 1
690 1 40 LEU H 1 44 LEU QB 6.730 . 7.230 5.976 5.768 6.068 . 0 0 "[ . 1 . 2]" 1
691 1 41 GLU H 1 48 LEU QD 8.090 . 8.590 4.398 2.993 5.677 . 0 0 "[ . 1 . 2]" 1
692 1 42 ASP H 1 43 PHE QE 6.730 . 7.230 4.879 4.372 5.115 . 0 0 "[ . 1 . 2]" 1
693 1 38 LYS QG 1 42 ASP H 6.730 . 7.230 5.815 5.438 6.059 . 0 0 "[ . 1 . 2]" 1
694 1 40 LEU QD 1 42 ASP H 10.780 . 11.280 4.951 4.719 5.325 . 0 0 "[ . 1 . 2]" 1
695 1 46 LYS H 1 47 GLU H 2.800 . 3.300 2.699 2.444 2.866 . 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 20
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PHE 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 9 TYR H 1 17 LYS O 2.300 . 3.050 1.939 1.882 2.000 . 0 0 "[ . 1 . 2]" 2
2 1 7 TYR H 1 19 TRP O 2.300 . 3.050 1.963 1.870 2.036 . 0 0 "[ . 1 . 2]" 2
3 1 9 TYR O 1 16 THR H 2.300 . 3.050 1.935 1.813 2.306 . 0 0 "[ . 1 . 2]" 2
4 1 9 TYR O 1 17 LYS H 2.300 . 3.050 2.308 2.250 2.337 . 0 0 "[ . 1 . 2]" 2
5 1 7 TYR O 1 19 TRP H 2.300 . 3.050 1.915 1.860 2.056 . 0 0 "[ . 1 . 2]" 2
6 1 27 ALA O 1 31 LYS H 2.300 . 3.050 1.906 1.857 1.993 . 0 0 "[ . 1 . 2]" 2
7 1 28 VAL O 1 32 ALA H 2.300 . 3.050 1.963 1.926 2.091 . 0 0 "[ . 1 . 2]" 2
8 1 29 ILE O 1 33 MET H 2.300 . 3.050 2.068 1.939 2.315 . 0 0 "[ . 1 . 2]" 2
9 1 30 LYS O 1 34 GLU H 2.300 . 3.050 2.038 1.843 2.312 . 0 0 "[ . 1 . 2]" 2
10 1 40 LEU O 1 43 PHE H 2.300 . 3.050 2.000 1.937 2.073 . 0 0 "[ . 1 . 2]" 2
11 1 9 TYR N 1 17 LYS O 3.300 2.500 4.050 2.933 2.873 2.990 . 0 0 "[ . 1 . 2]" 2
12 1 7 TYR N 1 19 TRP O 3.300 2.500 4.050 2.936 2.849 3.031 . 0 0 "[ . 1 . 2]" 2
13 1 9 TYR O 1 16 THR N 3.300 2.500 4.050 2.882 2.765 3.163 . 0 0 "[ . 1 . 2]" 2
14 1 9 TYR O 1 17 LYS N 3.300 2.500 4.050 3.288 3.235 3.315 . 0 0 "[ . 1 . 2]" 2
15 1 7 TYR O 1 19 TRP N 3.300 2.500 4.050 2.879 2.804 3.018 . 0 0 "[ . 1 . 2]" 2
16 1 27 ALA O 1 31 LYS N 3.300 2.500 4.050 2.897 2.854 2.980 . 0 0 "[ . 1 . 2]" 2
17 1 28 VAL O 1 32 ALA N 3.300 2.500 4.050 2.937 2.897 3.041 . 0 0 "[ . 1 . 2]" 2
18 1 29 ILE O 1 33 MET N 3.300 2.500 4.050 3.037 2.914 3.294 . 0 0 "[ . 1 . 2]" 2
19 1 30 LYS O 1 34 GLU N 3.300 2.500 4.050 3.027 2.846 3.301 . 0 0 "[ . 1 . 2]" 2
20 1 40 LEU O 1 43 PHE N 3.300 2.500 4.050 2.935 2.868 3.025 . 0 0 "[ . 1 . 2]" 2
stop_
save_