NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
383704 |
1k3g   |
5597 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1k3g
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 1352
_Distance_constraint_stats_list.Viol_count 651
_Distance_constraint_stats_list.Viol_total 914.772
_Distance_constraint_stats_list.Viol_max 0.262
_Distance_constraint_stats_list.Viol_rms 0.0084
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0468
_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 VAL 0.320 0.108 1 0 "[ . 1 . 2 . 3]"
1 2 ASP 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 4 GLU 0.853 0.161 29 0 "[ . 1 . 2 . 3]"
1 5 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 VAL 0.010 0.010 20 0 "[ . 1 . 2 . 3]"
1 8 GLN 1.783 0.161 29 0 "[ . 1 . 2 . 3]"
1 9 GLN 1.496 0.079 7 0 "[ . 1 . 2 . 3]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 11 CYS 0.037 0.024 25 0 "[ . 1 . 2 . 3]"
1 12 ILE 0.907 0.069 3 0 "[ . 1 . 2 . 3]"
1 13 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 HIS 1.444 0.069 3 0 "[ . 1 . 2 . 3]"
1 16 GLY 0.017 0.010 12 0 "[ . 1 . 2 . 3]"
1 17 GLY 0.017 0.010 12 0 "[ . 1 . 2 . 3]"
1 18 ASP 0.601 0.055 11 0 "[ . 1 . 2 . 3]"
1 19 LEU 0.669 0.055 11 0 "[ . 1 . 2 . 3]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 GLY 0.671 0.034 11 0 "[ . 1 . 2 . 3]"
1 22 ALA 0.002 0.002 1 0 "[ . 1 . 2 . 3]"
1 23 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 PRO 0.002 0.002 1 0 "[ . 1 . 2 . 3]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 27 ILE 0.064 0.021 11 0 "[ . 1 . 2 . 3]"
1 28 ASP 0.186 0.021 11 0 "[ . 1 . 2 . 3]"
1 29 LYS 0.006 0.006 6 0 "[ . 1 . 2 . 3]"
1 30 ALA 0.081 0.043 13 0 "[ . 1 . 2 . 3]"
1 31 GLY 0.595 0.069 11 0 "[ . 1 . 2 . 3]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 33 ASN 0.081 0.043 13 0 "[ . 1 . 2 . 3]"
1 34 TYR 0.389 0.045 29 0 "[ . 1 . 2 . 3]"
1 35 SER 0.431 0.042 9 0 "[ . 1 . 2 . 3]"
1 36 GLU 0.883 0.048 13 0 "[ . 1 . 2 . 3]"
1 37 GLU 0.021 0.021 18 0 "[ . 1 . 2 . 3]"
1 38 GLU 2.318 0.119 10 0 "[ . 1 . 2 . 3]"
1 39 ILE 5.097 0.119 10 0 "[ . 1 . 2 . 3]"
1 40 LEU 0.582 0.033 19 0 "[ . 1 . 2 . 3]"
1 41 ASP 0.414 0.115 21 0 "[ . 1 . 2 . 3]"
1 42 ILE 3.165 0.144 23 0 "[ . 1 . 2 . 3]"
1 43 ILE 0.122 0.099 22 0 "[ . 1 . 2 . 3]"
1 44 LEU 0.895 0.064 24 0 "[ . 1 . 2 . 3]"
1 45 ASN 2.358 0.220 18 0 "[ . 1 . 2 . 3]"
1 46 GLY 8.500 0.262 28 0 "[ . 1 . 2 . 3]"
1 47 GLN 1.352 0.109 3 0 "[ . 1 . 2 . 3]"
1 48 GLY 0.221 0.109 3 0 "[ . 1 . 2 . 3]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 MET 0.042 0.042 22 0 "[ . 1 . 2 . 3]"
1 51 PRO 1.008 0.070 16 0 "[ . 1 . 2 . 3]"
1 52 GLY 1.013 0.070 16 0 "[ . 1 . 2 . 3]"
1 53 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 54 ILE 6.319 0.262 28 0 "[ . 1 . 2 . 3]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 56 LYS 0.247 0.049 22 0 "[ . 1 . 2 . 3]"
1 57 GLY 0.239 0.049 22 0 "[ . 1 . 2 . 3]"
1 58 ALA 0.994 0.081 28 0 "[ . 1 . 2 . 3]"
1 59 GLU 0.098 0.056 12 0 "[ . 1 . 2 . 3]"
1 60 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 61 GLU 1.056 0.081 28 0 "[ . 1 . 2 . 3]"
1 62 ALA 0.320 0.108 1 0 "[ . 1 . 2 . 3]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 64 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 66 TRP 3.623 0.112 4 0 "[ . 1 . 2 . 3]"
1 67 LEU 3.237 0.112 4 0 "[ . 1 . 2 . 3]"
1 68 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 69 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 70 LYS 0.746 0.080 16 0 "[ . 1 . 2 . 3]"
1 71 LYS 0.513 0.118 30 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL H1 1 1 VAL HB . . 4.140 3.527 3.295 3.625 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 VAL H1 1 2 ASP H . . 5.500 3.817 3.508 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 VAL HA 1 2 ASP H . . 3.390 2.353 2.183 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 1 VAL HB 1 2 ASP H . . 5.220 4.231 3.753 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 1 VAL HB 1 59 GLU HA . . 5.500 3.564 2.498 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 1 VAL HB 1 62 ALA H . . 5.500 5.041 4.479 5.608 0.108 1 0 "[ . 1 . 2 . 3]" 1
7 1 1 VAL HB 1 62 ALA MB . . 4.640 3.289 2.906 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 1 VAL MG1 1 2 ASP H . . 6.430 2.595 2.166 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 1 VAL MG1 1 58 ALA MB . . 7.560 3.549 2.223 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 1 VAL MG1 1 59 GLU H . . 6.500 3.677 2.816 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 1 VAL MG1 1 59 GLU HA . . 4.140 2.160 1.953 2.627 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 1 VAL MG1 1 59 GLU HB2 . . 5.010 3.418 2.552 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 1 VAL MG1 1 59 GLU HG2 . . 9.460 3.810 3.319 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 1 VAL MG1 1 59 GLU HG3 . . 9.460 2.620 2.162 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 1 VAL MG1 1 62 ALA MB . . 6.530 2.793 1.860 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 1 VAL MG2 1 2 ASP H . . 6.430 3.517 1.748 4.035 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 1 VAL MG2 1 58 ALA MB . . 7.560 2.769 2.120 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 1 VAL MG2 1 59 GLU H . . 6.500 3.579 2.515 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 1 VAL MG2 1 59 GLU HA . . 4.140 3.402 3.031 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 1 VAL MG2 1 59 GLU HB2 . . 5.010 3.658 2.965 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 1 VAL MG2 1 59 GLU HG2 . . 9.460 5.005 3.514 5.723 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 1 VAL MG2 1 59 GLU HG3 . . 9.460 3.688 2.159 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 1 VAL MG2 1 62 ALA MB . . 6.530 4.228 3.784 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 1 VAL QG 1 2 ASP H . . 5.490 2.423 1.739 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 1 VAL QG 1 2 ASP HA . . 7.900 3.948 3.375 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 1 VAL QG 1 2 ASP QB . . 8.970 3.688 3.058 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 1 VAL QG 1 3 ALA H . . 7.590 3.990 3.386 4.901 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 1 VAL QG 1 3 ALA HA . . 6.440 3.647 3.300 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 1 VAL QG 1 5 ALA MB . . 8.620 4.076 3.484 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 1 VAL QG 1 6 VAL HB . . 8.090 3.914 3.647 4.791 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 1 VAL QG 1 58 ALA MB . . 6.820 2.556 2.026 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 1 VAL QG 1 59 GLU H . . 5.980 3.159 2.384 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 1 VAL QG 1 59 GLU HB3 . . 8.090 4.032 3.706 4.286 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 1 VAL QG 1 59 GLU QG . . 7.070 2.478 2.082 3.401 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 1 VAL QG 1 62 ALA H . . 8.090 4.291 3.095 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 1 VAL QG 1 62 ALA MB . . 5.890 2.734 1.857 3.452 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 2 ASP H 1 5 ALA MB . . 6.530 3.745 3.334 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 2 ASP H 1 6 VAL MG2 . . 6.530 3.636 2.885 4.038 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 2 ASP HA 1 3 ALA H . . 3.080 2.198 2.109 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 2 ASP HA 1 3 ALA HA . . 5.470 4.497 4.431 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 2 ASP HA 1 3 ALA MB . . 5.850 3.943 3.814 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 2 ASP HA 1 4 GLU H . . 4.880 4.067 3.567 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 2 ASP HA 1 5 ALA H . . 5.500 4.281 4.053 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 2 ASP HB2 1 5 ALA H . . 5.500 3.548 3.006 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 2 ASP HB2 1 5 ALA MB . . 5.100 2.374 2.045 3.483 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 2 ASP HB3 1 5 ALA H . . 5.500 2.668 2.088 3.602 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 2 ASP HB3 1 5 ALA MB . . 5.100 2.459 2.008 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 2 ASP QB 1 5 ALA H . . 5.020 2.580 2.077 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 2 ASP QB 1 5 ALA MB . . 4.530 2.035 1.936 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 3 ALA H 1 4 GLU H . . 3.890 2.926 2.186 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 3 ALA H 1 4 GLU QG . . 6.380 3.946 3.043 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 3 ALA H 1 5 ALA H . . 5.500 4.204 2.932 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 3 ALA H 1 62 ALA MB . . 5.540 3.150 2.697 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 3 ALA H 1 66 TRP QB . . 6.380 4.526 4.215 5.237 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 3 ALA HA 1 5 ALA H . . 5.100 4.599 4.408 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 3 ALA HA 1 6 VAL H . . 5.130 3.668 3.535 3.838 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 3 ALA HA 1 6 VAL HB . . 3.830 2.873 2.560 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 3 ALA HA 1 6 VAL MG2 . . 4.140 3.278 3.038 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 3 ALA HA 1 62 ALA MB . . 5.230 2.921 2.461 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 3 ALA HA 1 63 VAL MG2 . . 4.510 2.359 2.117 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 3 ALA MB 1 4 GLU H . . 4.390 2.278 2.121 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 3 ALA MB 1 4 GLU HA . . 6.030 3.771 3.697 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 3 ALA MB 1 7 VAL MG2 . . 7.120 3.344 3.096 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 3 ALA MB 1 62 ALA MB . . 5.600 2.326 2.121 2.475 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 3 ALA MB 1 63 VAL H . . 6.190 3.605 3.451 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 3 ALA MB 1 63 VAL HA . . 3.710 2.183 2.076 2.391 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 3 ALA MB 1 63 VAL MG2 . . 6.720 2.947 2.679 3.363 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 3 ALA MB 1 66 TRP H . . 5.350 3.461 3.305 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 3 ALA MB 1 66 TRP HA . . 5.600 4.122 3.992 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 3 ALA MB 1 66 TRP HB2 . . 4.170 2.219 2.093 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 3 ALA MB 1 66 TRP HB3 . . 4.170 2.242 2.071 2.650 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 3 ALA MB 1 66 TRP HD1 . . 4.820 3.411 3.096 3.784 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 3 ALA MB 1 66 TRP HE3 . . 5.500 2.936 2.351 3.348 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 3 ALA MB 1 66 TRP HE1 . . 6.280 4.163 3.882 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 3 ALA MB 1 67 LEU H . . 5.690 4.281 3.967 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 4 GLU H 1 4 GLU HG2 . . 3.730 2.129 1.954 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 4 GLU H 1 4 GLU HG3 . . 3.730 2.555 2.094 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 4 GLU H 1 5 ALA H . . 3.610 2.845 2.378 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 4 GLU H 1 66 TRP HE1 . . 5.500 4.494 3.805 5.183 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 4 GLU HA 1 4 GLU HG2 . . 3.890 3.242 2.610 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 4 GLU HA 1 4 GLU HG3 . . 3.890 3.752 3.660 3.914 0.024 1 0 "[ . 1 . 2 . 3]" 1
82 1 4 GLU HA 1 4 GLU QG . . 3.710 3.010 2.558 3.372 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 4 GLU HA 1 5 ALA HA . . 5.500 4.831 4.773 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 4 GLU HA 1 7 VAL H . . 4.200 3.556 3.438 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 4 GLU HA 1 7 VAL HB . . 3.080 2.618 2.446 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 4 GLU HA 1 7 VAL MG1 . . 5.290 3.828 3.490 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 4 GLU HA 1 7 VAL MG2 . . 4.790 3.316 2.823 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 4 GLU HA 1 8 GLN H . . 5.190 3.795 3.684 3.896 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 4 GLU HA 1 66 TRP HE3 . . 5.500 4.364 3.929 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 4 GLU HA 1 66 TRP HE1 . . 5.500 4.888 4.385 5.134 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 4 GLU HA 1 66 TRP HZ3 . . 5.500 3.824 3.540 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 4 GLU HA 1 66 TRP HZ2 . . 5.500 3.599 3.271 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 4 GLU HA 1 66 TRP HH2 . . 5.500 3.327 3.127 3.649 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 4 GLU HB2 1 5 ALA H . . 5.500 3.146 2.488 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 4 GLU HB2 1 8 GLN HG3 . . 5.500 3.985 3.390 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 4 GLU HB2 1 66 TRP HE1 . . 5.500 5.073 4.042 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 4 GLU HB2 1 66 TRP HZ2 . . 5.500 4.151 2.923 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 4 GLU HB2 1 66 TRP HH2 . . 5.500 4.971 4.000 5.544 0.044 9 0 "[ . 1 . 2 . 3]" 1
99 1 4 GLU HB3 1 5 ALA H . . 5.500 4.040 3.784 4.198 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 4 GLU HB3 1 8 GLN HG3 . . 5.500 4.694 3.684 5.661 0.161 29 0 "[ . 1 . 2 . 3]" 1
101 1 4 GLU HB3 1 66 TRP HE1 . . 5.500 3.884 2.467 4.944 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 4 GLU HB3 1 66 TRP HZ2 . . 5.500 2.874 2.348 3.678 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 4 GLU HB3 1 66 TRP HH2 . . 5.500 3.938 3.814 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 4 GLU QB 1 8 GLN H . . 6.380 4.521 4.442 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 4 GLU QB 1 66 TRP HZ2 . . 5.140 2.819 2.264 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 4 GLU QB 1 66 TRP HH2 . . 5.150 3.762 3.603 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 4 GLU HG2 1 5 ALA H . . 4.820 3.825 2.442 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 4 GLU HG2 1 66 TRP HE1 . . 5.500 3.345 2.550 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 4 GLU HG2 1 66 TRP HZ2 . . 5.500 3.933 2.917 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 4 GLU HG3 1 5 ALA H . . 4.820 3.014 2.016 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 4 GLU HG3 1 66 TRP HE1 . . 5.500 4.586 3.480 5.532 0.032 30 0 "[ . 1 . 2 . 3]" 1
112 1 4 GLU HG3 1 66 TRP HZ2 . . 5.500 4.952 4.225 5.521 0.021 6 0 "[ . 1 . 2 . 3]" 1
113 1 4 GLU QG 1 5 ALA H . . 4.420 2.865 2.002 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 4 GLU QG 1 66 TRP HE1 . . 5.110 3.263 2.489 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 4 GLU QG 1 66 TRP HZ2 . . 5.100 3.762 2.868 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 4 GLU QG 1 66 TRP HH2 . . 6.380 5.033 4.137 5.720 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 5 ALA H 1 5 ALA MB . . 3.610 2.257 2.223 2.284 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 5 ALA H 1 6 VAL H . . 4.540 2.714 2.569 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 5 ALA H 1 6 VAL HA . . 5.500 5.365 5.251 5.496 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 5 ALA H 1 6 VAL HB . . 5.500 4.815 4.646 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 5 ALA H 1 6 VAL MG2 . . 5.660 4.293 4.042 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 5 ALA H 1 7 VAL H . . 5.340 4.320 4.144 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 5 ALA H 1 8 GLN H . . 5.500 4.698 4.589 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 5 ALA HA 1 7 VAL H . . 5.500 4.744 4.633 4.887 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 5 ALA HA 1 8 GLN H . . 4.140 3.621 3.493 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 5 ALA HA 1 8 GLN HB2 . . 3.670 2.333 2.190 2.473 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 5 ALA HA 1 8 GLN HB3 . . 4.070 3.812 3.634 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 5 ALA HA 1 8 GLN HG2 . . 5.470 3.991 3.818 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 5 ALA HA 1 8 GLN HG3 . . 5.500 3.203 2.997 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 5 ALA HA 1 9 GLN H . . 5.340 4.741 4.632 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 5 ALA MB 1 6 VAL HA . . 5.940 3.871 3.813 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 5 ALA MB 1 8 GLN HB2 . . 6.280 3.890 3.719 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 5 ALA MB 1 9 GLN H . . 6.280 5.129 4.986 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 6 VAL H 1 6 VAL HB . . 4.040 2.451 2.295 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 6 VAL H 1 6 VAL MG2 . . 4.610 2.205 2.088 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 6 VAL H 1 7 VAL H . . 4.480 2.794 2.574 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 6 VAL H 1 63 VAL MG2 . . 6.530 3.984 3.675 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 6 VAL HA 1 8 GLN H . . 5.500 4.631 4.557 4.716 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 6 VAL HA 1 9 GLN H . . 4.290 3.496 3.325 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 6 VAL HA 1 9 GLN QB . . 4.460 3.798 3.418 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 6 VAL HA 1 9 GLN QG . . 6.380 5.591 4.713 5.748 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 6 VAL HA 1 10 LYS QB . . 5.920 3.957 3.609 4.305 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 6 VAL HA 1 10 LYS QE . . 6.380 3.963 2.992 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 6 VAL HA 1 63 VAL MG2 . . 6.530 4.445 4.300 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 6 VAL HB 1 7 VAL H . . 3.550 2.400 2.275 2.472 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 6 VAL HB 1 7 VAL MG2 . . 5.100 3.319 3.081 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 6 VAL HB 1 63 VAL MG1 . . 6.530 4.300 4.074 4.600 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 6 VAL HB 1 63 VAL MG2 . . 3.890 2.202 2.060 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 6 VAL MG1 1 7 VAL H . . 5.290 3.149 2.859 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 6 VAL MG1 1 7 VAL HA . . 4.950 3.230 3.043 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 6 VAL MG1 1 9 GLN H . . 6.530 4.315 4.216 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 6 VAL MG1 1 9 GLN QB . . 6.910 4.870 4.496 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 6 VAL MG1 1 10 LYS H . . 6.220 4.671 4.221 4.925 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 6 VAL MG1 1 10 LYS HB2 . . 5.970 2.557 2.323 2.718 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 6 VAL MG1 1 10 LYS HB3 . . 5.970 3.500 3.225 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 6 VAL MG1 1 10 LYS QB . . 5.110 2.497 2.279 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 6 VAL MG1 1 10 LYS HG2 . . 5.440 3.853 2.766 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 6 VAL MG1 1 10 LYS HG3 . . 5.440 4.020 2.035 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 6 VAL MG1 1 10 LYS QG . . 5.080 3.445 1.994 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 6 VAL MG1 1 10 LYS QD . . 5.300 2.231 1.902 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 6 VAL MG1 1 10 LYS QE . . 5.920 3.208 2.015 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 6 VAL MG1 1 59 GLU HA . . 6.530 3.525 3.024 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 6 VAL MG1 1 59 GLU HB2 . . 5.540 4.322 3.748 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 6 VAL MG1 1 59 GLU HB3 . . 5.850 3.719 2.214 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 6 VAL MG1 1 59 GLU HG2 . . 4.950 2.128 1.911 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 6 VAL MG1 1 59 GLU HG3 . . 4.950 2.894 2.134 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 6 VAL MG1 1 59 GLU QG . . 4.580 2.042 1.896 3.040 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 6 VAL MG1 1 63 VAL MG1 . . 7.560 3.513 3.355 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 6 VAL MG1 1 63 VAL MG2 . . 5.630 1.985 1.857 2.130 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 6 VAL MG2 1 7 VAL H . . 5.230 3.843 3.729 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 6 VAL MG2 1 9 GLN QB . . 7.310 5.175 4.846 5.440 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 6 VAL MG2 1 10 LYS QE . . 7.040 3.971 3.055 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 6 VAL MG2 1 59 GLU HA . . 4.820 2.551 2.221 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 6 VAL MG2 1 59 GLU HB2 . . 4.730 3.903 3.749 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 6 VAL MG2 1 59 GLU HB3 . . 6.000 4.053 2.470 4.651 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 6 VAL MG2 1 59 GLU HG2 . . 4.730 2.581 1.994 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 6 VAL MG2 1 59 GLU HG3 . . 4.730 2.106 1.967 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 6 VAL MG2 1 59 GLU QG . . 4.510 1.971 1.861 2.111 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 6 VAL MG2 1 63 VAL MG1 . . 7.560 5.048 4.848 5.254 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 6 VAL MG2 1 63 VAL MG2 . . 6.100 2.909 2.690 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 7 VAL H 1 7 VAL HB . . 3.170 2.366 2.243 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 7 VAL H 1 7 VAL MG1 . . 4.790 3.747 3.682 3.788 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 7 VAL H 1 7 VAL MG2 . . 3.860 2.329 2.170 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 7 VAL H 1 8 GLN H . . 4.690 2.812 2.747 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 7 VAL H 1 63 VAL MG1 . . 6.530 4.205 4.110 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 7 VAL H 1 63 VAL MG2 . . 5.100 2.894 2.730 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 7 VAL H 1 66 TRP HZ3 . . 5.500 4.879 4.467 5.510 0.010 20 0 "[ . 1 . 2 . 3]" 1
188 1 7 VAL HA 1 9 GLN H . . 5.500 3.754 3.640 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 7 VAL HA 1 10 LYS H . . 4.480 3.570 3.116 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 7 VAL HA 1 10 LYS QB . . 5.600 3.274 2.526 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 7 VAL HA 1 11 CYS H . . 3.980 2.377 2.075 2.667 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 7 VAL HA 1 11 CYS HB2 . . 5.500 3.028 2.590 3.405 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 7 VAL HA 1 11 CYS HB3 . . 5.500 4.289 3.987 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 7 VAL HA 1 11 CYS QB . . 5.080 2.968 2.559 3.315 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 7 VAL HA 1 63 VAL MG1 . . 6.000 3.856 3.686 4.068 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 7 VAL HA 1 63 VAL MG2 . . 5.190 3.674 3.179 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 7 VAL HB 1 8 GLN H . . 3.480 2.581 2.418 2.692 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 7 VAL HB 1 8 GLN HA . . 5.220 4.614 4.327 4.790 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 7 VAL HB 1 8 GLN HG2 . . 5.500 3.750 3.494 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 7 VAL HB 1 19 LEU QD . . 7.790 3.781 3.531 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 7 VAL HB 1 63 VAL MG1 . . 6.250 4.302 4.185 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 7 VAL HB 1 63 VAL MG2 . . 6.530 3.974 3.688 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 7 VAL HB 1 66 TRP HZ3 . . 5.500 3.017 2.515 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 7 VAL HB 1 66 TRP HH2 . . 5.440 3.540 3.284 3.965 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 7 VAL MG1 1 8 GLN H . . 5.070 3.239 2.943 3.413 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 7 VAL MG1 1 8 GLN HA . . 5.720 3.633 3.343 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 7 VAL MG1 1 8 GLN HG2 . . 6.030 3.697 3.225 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 7 VAL MG1 1 8 GLN HG3 . . 6.530 5.205 4.787 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 7 VAL MG1 1 8 GLN HE21 . . 6.160 3.557 3.137 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 7 VAL MG1 1 8 GLN HE22 . . 6.530 5.004 4.628 5.277 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 7 VAL MG1 1 9 GLN H . . 6.530 4.680 4.531 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 7 VAL MG1 1 11 CYS H . . 6.030 3.437 2.909 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 7 VAL MG1 1 11 CYS HB2 . . 4.510 2.053 1.975 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 7 VAL MG1 1 11 CYS HB3 . . 4.510 3.364 3.113 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 7 VAL MG1 1 12 ILE H . . 6.160 2.827 2.441 3.207 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 7 VAL MG1 1 19 LEU HG . . 5.410 3.677 2.797 4.232 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 7 VAL MG1 1 19 LEU MD1 . . 6.320 2.671 1.995 3.245 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 7 VAL MG1 1 19 LEU MD2 . . 6.320 1.946 1.830 2.206 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 7 VAL MG1 1 19 LEU QD . . 5.960 1.878 1.808 2.049 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 7 VAL MG1 1 27 ILE MD . . 7.560 3.297 2.890 3.622 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 7 VAL MG1 1 63 VAL MG1 . . 7.560 3.679 3.407 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 7 VAL MG1 1 63 VAL MG2 . . 7.520 4.302 4.096 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 7 VAL MG1 1 66 TRP HE3 . . 6.500 4.140 3.794 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 7 VAL MG1 1 66 TRP HZ3 . . 4.700 2.197 2.065 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 7 VAL MG1 1 66 TRP HZ2 . . 6.530 4.874 4.584 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 7 VAL MG1 1 66 TRP HH2 . . 5.040 2.765 2.504 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 7 VAL MG1 1 67 LEU MD1 . . 7.560 3.530 2.884 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 7 VAL MG1 1 67 LEU MD2 . . 7.560 3.557 2.862 4.398 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 7 VAL MG2 1 8 GLN H . . 5.320 3.934 3.774 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 7 VAL MG2 1 8 GLN HG2 . . 6.530 5.211 4.982 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 7 VAL MG2 1 11 CYS HB2 . . 6.250 3.372 3.078 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 7 VAL MG2 1 11 CYS HB3 . . 6.250 4.093 3.821 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 7 VAL MG2 1 11 CYS QB . . 6.050 3.222 2.957 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 7 VAL MG2 1 19 LEU QD . . 8.350 3.357 2.940 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 7 VAL MG2 1 63 VAL HA . . 6.160 3.135 2.685 3.308 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 7 VAL MG2 1 63 VAL MG1 . . 5.570 1.914 1.864 2.024 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 7 VAL MG2 1 66 TRP HE3 . . 4.850 2.552 2.219 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 7 VAL MG2 1 66 TRP HZ3 . . 4.330 2.170 2.031 2.535 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 7 VAL MG2 1 66 TRP HZ2 . . 6.530 5.244 4.957 5.462 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 7 VAL MG2 1 66 TRP HH2 . . 5.810 3.886 3.696 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 7 VAL MG2 1 67 LEU MD1 . . 7.560 3.239 2.206 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 7 VAL MG2 1 67 LEU MD2 . . 7.560 3.227 2.350 4.510 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 8 GLN H 1 8 GLN HB2 . . 3.300 2.336 2.301 2.368 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 8 GLN H 1 8 GLN HB3 . . 3.860 3.545 3.534 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 8 GLN H 1 8 GLN HG2 . . 4.230 2.446 2.365 2.532 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 8 GLN H 1 8 GLN HG3 . . 4.910 3.505 3.345 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 8 GLN H 1 9 GLN H . . 3.760 2.927 2.885 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 8 GLN H 1 10 LYS H . . 5.500 4.649 4.242 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 8 GLN H 1 11 CYS H . . 5.160 4.849 4.716 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 8 GLN HA 1 8 GLN HE21 . . 5.500 2.546 2.389 2.811 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 8 GLN HA 1 8 GLN HE22 . . 5.500 3.548 3.437 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 8 GLN HA 1 11 CYS H . . 5.340 5.034 4.769 5.364 0.024 25 0 "[ . 1 . 2 . 3]" 1
253 1 8 GLN HA 1 12 ILE H . . 4.820 4.006 3.812 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 8 GLN HA 1 12 ILE MG . . 4.020 2.288 2.105 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 8 GLN HA 1 12 ILE HG12 . . 5.040 2.059 2.002 2.233 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 8 GLN HA 1 12 ILE HG13 . . 5.040 3.112 2.566 3.900 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 8 GLN HA 1 12 ILE QG . . 4.500 2.025 1.980 2.219 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 8 GLN HA 1 12 ILE MD . . 4.230 3.496 2.438 3.581 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 8 GLN HB2 1 9 GLN H . . 4.200 3.302 3.190 3.477 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 8 GLN HB2 1 9 GLN HA . . 5.500 5.180 5.082 5.247 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 8 GLN HB3 1 9 GLN H . . 4.290 3.959 3.830 4.148 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 8 GLN HB3 1 9 GLN HA . . 4.760 4.806 4.762 4.839 0.079 7 0 "[ . 1 . 2 . 3]" 1
263 1 8 GLN HB3 1 12 ILE MG . . 6.530 4.452 4.176 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 8 GLN HB3 1 12 ILE MD . . 5.850 4.466 3.436 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 8 GLN HG2 1 9 GLN H . . 5.500 4.888 4.827 4.949 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 8 GLN HG2 1 12 ILE MG . . 5.600 3.625 3.509 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 8 GLN HG3 1 9 GLN H . . 5.500 5.461 5.373 5.536 0.036 3 0 "[ . 1 . 2 . 3]" 1
268 1 8 GLN HG3 1 12 ILE MG . . 6.000 4.878 4.715 5.004 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 8 GLN HG3 1 12 ILE MD . . 6.430 6.122 4.731 6.374 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 8 GLN HE21 1 12 ILE MG . . 5.230 2.264 2.070 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 8 GLN HE22 1 12 ILE MG . . 5.690 3.040 2.677 3.387 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 8 GLN HE22 1 12 ILE MD . . 6.220 4.371 2.791 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 9 GLN H 1 9 GLN HB2 . . 4.040 2.947 2.579 3.270 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 9 GLN H 1 9 GLN HB3 . . 4.040 3.378 2.935 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 9 GLN H 1 9 GLN QB . . 3.540 2.717 2.522 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 9 GLN H 1 10 LYS H . . 3.420 2.585 2.111 3.010 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 9 GLN H 1 10 LYS QB . . 5.600 3.830 3.679 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 9 GLN H 1 11 CYS H . . 4.850 3.853 3.560 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 9 GLN QB 1 10 LYS H . . 4.490 3.916 3.697 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 9 GLN QB 1 10 LYS QB . . 7.250 4.572 4.206 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 9 GLN QB 1 10 LYS QG . . 6.070 4.241 3.010 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 9 GLN QB 1 10 LYS QE . . 7.130 3.833 3.314 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 9 GLN QG 1 10 LYS H . . 6.380 4.433 4.184 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 9 GLN QG 1 10 LYS QB . . 7.220 5.593 5.032 5.844 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 9 GLN QE 1 10 LYS QE . . 7.240 5.124 3.198 5.783 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 10 LYS H 1 10 LYS QB . . 3.700 2.950 2.727 3.093 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 10 LYS H 1 10 LYS HG2 . . 5.500 4.950 3.284 5.242 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 10 LYS H 1 10 LYS HG3 . . 5.500 4.280 3.506 4.623 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 10 LYS H 1 10 LYS QE . . 6.380 5.285 4.679 5.705 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 10 LYS H 1 11 CYS H . . 3.420 2.054 1.954 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 10 LYS H 1 11 CYS QB . . 6.380 4.404 4.311 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 10 LYS H 1 12 ILE H . . 5.500 3.113 3.045 3.196 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 10 LYS H 1 12 ILE MG . . 6.530 4.210 3.990 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 10 LYS HA 1 10 LYS QG . . 3.910 2.255 2.117 3.020 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 10 LYS HA 1 54 ILE MG . . 5.380 3.461 3.220 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 10 LYS HB2 1 11 CYS H . . 5.000 2.935 2.389 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 10 LYS HB2 1 54 ILE MG . . 4.300 3.590 3.394 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 10 LYS HB3 1 11 CYS H . . 5.000 3.348 2.834 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 10 LYS HB3 1 54 ILE MG . . 4.300 2.256 2.144 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 10 LYS QB 1 11 CYS H . . 4.590 2.743 2.345 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 10 LYS QB 1 54 ILE MG . . 4.080 2.233 2.122 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 10 LYS QB 1 55 ALA MB . . 5.670 3.263 2.971 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 10 LYS HG2 1 55 ALA MB . . 6.530 3.672 3.042 5.028 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 10 LYS HG3 1 55 ALA MB . . 6.530 4.593 2.952 5.137 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 10 LYS QG 1 55 ALA MB . . 5.820 3.404 2.916 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 10 LYS QD 1 55 ALA MB . . 6.450 2.794 2.083 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 10 LYS QE 1 54 ILE MG . . 6.910 4.531 3.753 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 10 LYS QE 1 55 ALA HA . . 6.380 4.478 2.985 5.169 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 10 LYS QE 1 55 ALA MB . . 7.130 4.231 2.309 4.774 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 11 CYS H 1 11 CYS HB2 . . 4.140 2.753 2.665 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 11 CYS H 1 11 CYS HB3 . . 4.140 3.689 3.628 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 11 CYS H 1 12 ILE H . . 3.270 2.341 2.227 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 11 CYS H 1 12 ILE MG . . 5.570 3.844 3.673 4.127 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 11 CYS H 1 12 ILE HG12 . . 5.500 4.987 3.833 5.512 0.012 21 0 "[ . 1 . 2 . 3]" 1
315 1 11 CYS H 1 12 ILE HG13 . . 5.500 3.799 3.551 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 11 CYS H 1 12 ILE MD . . 6.530 5.143 4.792 5.443 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 11 CYS HB2 1 12 ILE H . . 4.820 2.495 2.383 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 11 CYS HB2 1 12 ILE HA . . 5.500 3.978 3.864 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 11 CYS HB2 1 19 LEU MD1 . . 9.670 4.962 2.346 5.598 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 11 CYS HB2 1 19 LEU MD2 . . 9.670 3.347 2.696 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 11 CYS HB3 1 12 ILE H . . 4.820 3.786 3.670 3.954 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 11 CYS HB3 1 12 ILE HA . . 5.500 4.657 4.534 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 11 CYS HB3 1 19 LEU MD1 . . 9.670 5.689 3.109 6.471 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 11 CYS HB3 1 19 LEU MD2 . . 9.670 4.081 3.317 5.459 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 11 CYS QB 1 15 HIS HD2 . . 3.880 2.575 2.413 2.807 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 11 CYS QB 1 19 LEU QD . . 8.050 3.033 2.277 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 12 ILE H 1 12 ILE MG . . 4.080 2.147 2.041 2.281 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 12 ILE H 1 12 ILE HG12 . . 4.200 3.387 2.496 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 12 ILE H 1 12 ILE HG13 . . 4.200 2.424 2.293 3.252 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 12 ILE H 1 12 ILE QG . . 3.820 2.347 2.245 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 12 ILE H 1 12 ILE MD . . 5.070 3.865 3.699 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 12 ILE HA 1 14 CYS H . . 5.380 3.660 3.546 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 12 ILE HA 1 15 HIS H . . 5.160 3.117 2.831 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 12 ILE HA 1 15 HIS HB2 . . 3.210 2.693 2.432 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 12 ILE HA 1 15 HIS HB3 . . 3.860 3.874 3.675 3.929 0.069 3 0 "[ . 1 . 2 . 3]" 1
336 1 12 ILE HA 1 16 GLY H . . 3.640 2.581 2.455 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 12 ILE HA 1 19 LEU QD . . 6.490 3.467 2.556 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 12 ILE HB 1 16 GLY H . . 4.600 3.727 3.588 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 12 ILE HB 1 17 GLY H . . 5.310 3.288 3.137 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 12 ILE HB 1 17 GLY HA2 . . 3.550 2.192 2.135 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 12 ILE HB 1 17 GLY HA3 . . 4.450 3.683 3.577 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 12 ILE HB 1 19 LEU H . . 5.500 4.518 4.040 4.950 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 12 ILE MG 1 16 GLY H . . 6.400 4.316 4.220 4.552 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 12 ILE MG 1 17 GLY H . . 6.280 4.039 3.116 4.364 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 12 ILE MG 1 17 GLY HA2 . . 4.570 2.376 2.203 2.921 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 12 ILE MG 1 17 GLY HA3 . . 5.470 3.809 3.635 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 12 ILE MG 1 19 LEU H . . 5.440 3.427 2.890 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 12 ILE QG 1 13 SER HA . . 6.380 4.089 3.307 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 12 ILE MD 1 17 GLY H . . 6.280 3.967 3.495 4.914 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 12 ILE MD 1 17 GLY HA2 . . 4.480 2.949 2.459 3.271 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 12 ILE MD 1 17 GLY HA3 . . 5.010 3.974 3.670 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 13 SER HA 1 16 GLY H . . 5.500 4.816 4.715 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 13 SER HB2 1 14 CYS H . . 5.500 2.996 2.576 3.977 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 13 SER HB3 1 14 CYS H . . 5.500 3.657 2.807 4.059 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 14 CYS H 1 15 HIS H . . 4.140 1.982 1.970 2.006 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 14 CYS H 1 16 GLY H . . 5.190 3.373 3.192 3.629 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 14 CYS HB2 1 24 ALA MB . . 5.320 2.614 2.409 2.789 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 14 CYS HB3 1 24 ALA MB . . 5.320 2.172 2.132 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 14 CYS QB 1 15 HIS H . . 6.190 2.529 2.422 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 14 CYS QB 1 15 HIS HD2 . . 6.380 3.484 3.263 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 14 CYS QB 1 16 GLY H . . 5.980 4.452 4.376 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 14 CYS QB 1 22 ALA MB . . 7.410 4.644 4.598 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 14 CYS QB 1 23 SER H . . 6.260 3.733 3.633 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 14 CYS QB 1 24 ALA H . . 6.380 4.031 3.765 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 14 CYS QB 1 24 ALA MB . . 4.700 2.069 2.009 2.149 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 15 HIS H 1 16 GLY H . . 3.730 2.722 2.670 2.774 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 15 HIS HA 1 15 HIS HB3 . . 2.740 2.544 2.513 2.572 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 15 HIS HA 1 19 LEU HA . . 5.500 4.389 4.131 4.727 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 15 HIS HA 1 21 GLY HA2 . . 3.270 2.596 2.464 2.646 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 15 HIS HA 1 21 GLY HA3 . . 4.350 4.349 4.197 4.384 0.034 11 0 "[ . 1 . 2 . 3]" 1
371 1 15 HIS HA 1 22 ALA H . . 4.140 3.012 2.776 3.319 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 15 HIS HA 1 22 ALA MB . . 6.530 3.761 3.575 3.921 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 15 HIS HA 1 24 ALA H . . 4.940 3.675 3.476 3.899 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 15 HIS HA 1 24 ALA MB . . 5.260 2.592 2.285 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 15 HIS HB2 1 16 GLY H . . 4.760 3.542 3.437 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 15 HIS HB2 1 19 LEU HA . . 3.860 3.570 3.336 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 15 HIS HB2 1 19 LEU QD . . 5.740 3.371 2.292 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 15 HIS HB2 1 27 ILE MG . . 6.530 4.785 4.410 5.024 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 15 HIS HB2 1 27 ILE HG12 . . 5.500 3.642 3.433 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 15 HIS HB2 1 27 ILE HG13 . . 5.500 4.764 4.399 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 15 HIS HB2 1 27 ILE QG . . 4.950 3.532 3.332 3.717 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 15 HIS HB2 1 27 ILE MD . . 5.540 3.282 2.924 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 15 HIS HB3 1 19 LEU HA . . 3.110 2.487 2.292 2.657 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 15 HIS HB3 1 19 LEU QB . . 6.380 3.715 3.404 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 15 HIS HB3 1 19 LEU QD . . 5.930 3.321 2.266 3.957 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 15 HIS HB3 1 27 ILE MG . . 6.530 4.027 3.576 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 15 HIS HB3 1 27 ILE HG12 . . 4.450 2.528 2.348 2.790 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 15 HIS HB3 1 27 ILE HG13 . . 4.450 3.858 3.467 4.194 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 15 HIS HB3 1 27 ILE QG . . 3.960 2.495 2.321 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 15 HIS HB3 1 27 ILE MD . . 5.320 3.282 2.951 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 15 HIS HD2 1 27 ILE MD . . 6.500 3.050 2.821 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 15 HIS HE1 1 24 ALA MB . . 6.500 2.972 2.592 3.253 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 15 HIS HE1 1 25 PRO QD . . 6.380 2.651 2.480 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 15 HIS HE1 1 27 ILE MG . . 6.500 2.365 2.264 2.683 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 15 HIS HE1 1 27 ILE MD . . 6.500 3.829 3.429 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 16 GLY H 1 17 GLY H . . 4.450 4.078 3.663 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 16 GLY H 1 22 ALA MB . . 4.570 3.077 2.848 3.226 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 16 GLY HA2 1 17 GLY H . . 3.520 2.539 2.274 3.530 0.010 12 0 "[ . 1 . 2 . 3]" 1
399 1 16 GLY HA2 1 22 ALA MB . . 4.880 2.624 2.123 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 16 GLY HA3 1 17 GLY H . . 3.520 2.843 2.263 3.006 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 16 GLY HA3 1 22 ALA MB . . 4.880 2.522 2.324 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 16 GLY QA 1 18 ASP H . . 5.450 3.277 3.035 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 16 GLY QA 1 19 LEU H . . 5.760 3.387 3.177 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 16 GLY QA 1 20 THR H . . 5.880 3.848 3.650 4.296 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 16 GLY QA 1 21 GLY H . . 5.050 3.661 3.423 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 17 GLY H 1 18 ASP H . . 4.010 2.717 1.984 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 17 GLY H 1 19 LEU H . . 5.100 3.860 2.121 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 17 GLY H 1 22 ALA MB . . 6.370 4.406 4.247 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 18 ASP H 1 19 LEU H . . 3.450 2.565 2.468 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 18 ASP H 1 19 LEU HA . . 4.690 4.706 4.623 4.745 0.055 11 0 "[ . 1 . 2 . 3]" 1
411 1 18 ASP H 1 20 THR H . . 4.790 3.540 3.114 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 18 ASP HA 1 19 LEU HG . . 5.500 3.622 3.071 5.509 0.009 17 0 "[ . 1 . 2 . 3]" 1
413 1 18 ASP HA 1 19 LEU QD . . 8.100 3.526 2.509 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 18 ASP HA 1 20 THR H . . 5.500 4.437 4.343 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 18 ASP HB2 1 20 THR H . . 5.500 3.389 2.771 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 18 ASP HB2 1 20 THR MG . . 5.660 2.858 2.213 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 18 ASP HB3 1 20 THR H . . 5.500 3.583 2.760 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
418 1 18 ASP HB3 1 20 THR MG . . 5.660 2.291 2.107 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 19 LEU H 1 19 LEU HG . . 4.420 3.193 2.514 4.454 0.034 17 0 "[ . 1 . 2 . 3]" 1
420 1 19 LEU H 1 19 LEU MD1 . . 5.720 4.169 2.566 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
421 1 19 LEU H 1 19 LEU MD2 . . 5.720 2.997 2.322 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 19 LEU H 1 19 LEU QD . . 4.890 2.802 2.237 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 19 LEU H 1 20 THR H . . 4.040 2.496 2.280 2.586 . 0 0 "[ . 1 . 2 . 3]" 1
424 1 19 LEU H 1 20 THR MG . . 6.530 4.267 4.021 4.404 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 19 LEU H 1 21 GLY H . . 4.480 3.728 3.527 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 19 LEU HA 1 20 THR MG . . 6.470 4.837 4.746 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 19 LEU HA 1 27 ILE H . . 4.940 3.772 3.498 4.103 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 19 LEU HA 1 27 ILE QG . . 6.380 3.277 2.969 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 19 LEU HA 1 27 ILE MD . . 6.530 4.222 3.918 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
430 1 19 LEU HA 1 28 ASP QB . . 6.380 4.621 4.427 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 19 LEU HB2 1 20 THR H . . 5.500 3.985 3.897 4.152 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 19 LEU HB2 1 27 ILE H . . 5.500 4.348 4.053 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 19 LEU HB2 1 27 ILE HG12 . . 5.500 4.723 4.227 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 19 LEU HB2 1 27 ILE HG13 . . 5.500 3.945 3.629 4.328 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 19 LEU HB2 1 27 ILE MD . . 6.530 5.008 4.700 5.352 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 19 LEU HB3 1 20 THR H . . 5.500 4.527 4.457 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 19 LEU HB3 1 27 ILE H . . 5.500 3.340 2.820 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 19 LEU HB3 1 27 ILE HG12 . . 5.500 3.107 2.494 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 19 LEU HB3 1 27 ILE HG13 . . 5.500 2.371 2.070 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 19 LEU HB3 1 27 ILE MD . . 6.530 3.579 3.322 3.870 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 19 LEU QB 1 20 THR H . . 5.350 3.738 3.677 3.821 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 19 LEU QB 1 26 ALA HA . . 6.380 4.599 4.277 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 19 LEU QB 1 27 ILE H . . 5.180 3.234 2.779 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 19 LEU QB 1 27 ILE QG . . 4.630 2.273 2.035 2.606 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 19 LEU QB 1 28 ASP H . . 6.040 2.834 2.509 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 19 LEU QB 1 28 ASP HA . . 5.760 2.577 2.121 2.895 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 19 LEU QB 1 67 LEU QD . . 8.980 3.525 3.171 3.793 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 19 LEU MD1 1 27 ILE HG12 . . 6.850 4.655 2.233 5.485 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 19 LEU MD1 1 27 ILE HG13 . . 6.850 3.613 2.779 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 19 LEU MD1 1 27 ILE MD . . 7.560 3.864 2.214 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 19 LEU MD1 1 66 TRP HZ3 . . 6.530 3.135 2.550 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 19 LEU MD1 1 66 TRP HH2 . . 6.530 2.507 2.137 4.965 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 19 LEU MD1 1 67 LEU MD1 . . 9.300 3.457 2.746 4.418 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 19 LEU MD1 1 67 LEU MD2 . . 9.300 3.160 2.534 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 19 LEU MD2 1 27 ILE HG12 . . 6.850 3.723 2.873 4.999 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 19 LEU MD2 1 27 ILE HG13 . . 6.850 3.183 2.162 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 19 LEU MD2 1 27 ILE MD . . 7.560 2.896 2.098 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 19 LEU MD2 1 66 TRP HZ3 . . 6.530 3.363 2.224 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 19 LEU MD2 1 66 TRP HH2 . . 6.530 3.399 2.591 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 19 LEU MD2 1 67 LEU MD1 . . 9.300 3.526 2.129 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 19 LEU MD2 1 67 LEU MD2 . . 9.300 3.587 2.135 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 19 LEU QD 1 27 ILE QG . . 5.930 2.651 2.113 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 19 LEU QD 1 27 ILE MD . . 6.820 2.646 2.094 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 19 LEU QD 1 28 ASP H . . 7.880 4.150 3.861 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 19 LEU QD 1 28 ASP HA . . 6.210 3.044 2.448 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 19 LEU QD 1 66 TRP HZ3 . . 5.300 2.773 2.204 3.448 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 19 LEU QD 1 66 TRP HH2 . . 5.240 2.342 2.119 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 19 LEU QD 1 67 LEU QD . . 7.400 2.541 1.921 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 20 THR H 1 20 THR MG . . 4.170 2.637 2.506 2.762 . 0 0 "[ . 1 . 2 . 3]" 1
470 1 20 THR H 1 21 GLY H . . 3.760 2.360 2.289 2.416 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 20 THR H 1 21 GLY HA2 . . 5.500 4.649 4.549 4.731 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 20 THR H 1 26 ALA HA . . 5.500 4.683 4.552 4.797 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 20 THR H 1 28 ASP QB . . 6.380 4.369 4.082 4.590 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 20 THR HA 1 20 THR MG . . 3.430 2.319 2.274 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 20 THR HA 1 26 ALA HA . . 5.500 3.732 3.562 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 20 THR HA 1 26 ALA MB . . 3.770 2.426 2.281 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
477 1 20 THR HA 1 27 ILE H . . 5.500 4.627 4.404 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 20 THR HA 1 28 ASP H . . 4.290 4.036 3.889 4.246 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 20 THR HA 1 28 ASP HB2 . . 5.500 3.657 2.995 4.728 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 20 THR HA 1 28 ASP HB3 . . 5.500 3.649 2.925 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 20 THR HA 1 28 ASP QB . . 5.300 3.134 2.867 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 20 THR MG 1 21 GLY H . . 6.530 4.278 4.175 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 20 THR MG 1 28 ASP H . . 6.530 5.030 4.881 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 20 THR MG 1 28 ASP HB2 . . 5.440 3.712 3.338 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 20 THR MG 1 28 ASP HB3 . . 5.440 4.122 3.346 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 20 THR MG 1 28 ASP QB . . 5.010 3.378 3.210 3.561 . 0 0 "[ . 1 . 2 . 3]" 1
487 1 21 GLY H 1 26 ALA HA . . 4.200 3.107 2.956 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 21 GLY H 1 26 ALA MB . . 5.910 3.710 3.546 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 21 GLY H 1 27 ILE H . . 5.500 4.190 4.029 4.360 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 21 GLY H 1 28 ASP H . . 5.130 5.078 4.906 5.150 0.020 14 0 "[ . 1 . 2 . 3]" 1
491 1 21 GLY HA2 1 22 ALA H . . 3.050 2.183 2.097 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 21 GLY HA2 1 22 ALA MB . . 6.530 3.937 3.842 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 21 GLY HA2 1 24 ALA H . . 5.500 3.642 3.547 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 21 GLY HA2 1 26 ALA H . . 4.720 4.348 4.196 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 21 GLY HA2 1 26 ALA MB . . 6.090 3.913 3.758 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 21 GLY HA3 1 22 ALA H . . 3.360 2.955 2.711 3.143 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 21 GLY HA3 1 22 ALA MB . . 6.530 4.642 4.516 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 21 GLY HA3 1 24 ALA H . . 5.500 4.336 4.261 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 21 GLY HA3 1 26 ALA H . . 4.450 3.452 3.252 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 21 GLY HA3 1 26 ALA MB . . 5.380 2.978 2.854 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 22 ALA H 1 23 SER H . . 4.880 2.710 2.528 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 22 ALA H 1 23 SER HA . . 5.340 4.568 4.407 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 22 ALA H 1 24 ALA H . . 3.730 2.026 1.960 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 22 ALA H 1 25 PRO HA . . 5.130 4.850 4.509 5.132 0.002 1 0 "[ . 1 . 2 . 3]" 1
505 1 22 ALA H 1 26 ALA MB . . 6.530 5.479 5.415 5.520 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 22 ALA HA 1 24 ALA H . . 5.500 4.115 4.053 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 22 ALA MB 1 23 SER H . . 3.740 2.080 1.978 2.172 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 22 ALA MB 1 23 SER HA . . 6.530 4.095 4.038 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 22 ALA MB 1 24 ALA H . . 5.350 3.661 3.540 3.752 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 23 SER H 1 24 ALA H . . 3.830 2.411 2.258 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 23 SER HB2 1 24 ALA H . . 5.130 4.047 3.701 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 23 SER HB3 1 24 ALA H . . 5.130 4.142 3.712 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 24 ALA HA 1 25 PRO HG2 . . 5.500 4.894 4.789 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 24 ALA HA 1 25 PRO HG3 . . 5.500 4.742 4.605 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 24 ALA HA 1 25 PRO HD2 . . 3.920 2.901 2.690 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 24 ALA HA 1 25 PRO HD3 . . 3.920 2.440 2.348 2.543 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 24 ALA HA 1 25 PRO QD . . 3.240 2.316 2.259 2.361 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 25 PRO HA 1 26 ALA H . . 2.990 2.408 2.331 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 25 PRO HA 1 26 ALA MB . . 4.950 4.013 3.906 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 25 PRO HB2 1 26 ALA H . . 3.920 2.842 2.682 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 25 PRO HB3 1 26 ALA H . . 3.920 3.602 3.361 3.790 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 25 PRO QB 1 26 ALA H . . 3.750 2.741 2.581 2.904 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 25 PRO HG2 1 26 ALA H . . 5.500 4.620 4.485 4.762 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 25 PRO HG3 1 26 ALA H . . 5.500 5.297 5.178 5.425 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 26 ALA H 1 26 ALA MB . . 3.460 2.196 2.144 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 26 ALA HA 1 27 ILE H . . 2.960 2.177 2.142 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 26 ALA HA 1 27 ILE HG12 . . 5.500 4.012 3.855 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 26 ALA HA 1 27 ILE HG13 . . 5.500 5.037 4.716 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
529 1 26 ALA MB 1 27 ILE H . . 4.420 3.192 3.030 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 26 ALA MB 1 27 ILE HA . . 5.910 4.272 4.176 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 26 ALA MB 1 28 ASP H . . 3.740 2.983 2.834 3.117 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 26 ALA MB 1 28 ASP QB . . 7.410 3.054 2.497 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 26 ALA MB 1 29 LYS H . . 6.280 4.062 3.864 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 27 ILE H 1 28 ASP H . . 3.080 2.155 2.042 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
535 1 27 ILE H 1 28 ASP HA . . 5.000 4.523 4.381 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 27 ILE H 1 28 ASP HB2 . . 5.500 4.629 4.202 5.521 0.021 11 0 "[ . 1 . 2 . 3]" 1
537 1 27 ILE H 1 28 ASP HB3 . . 5.500 4.408 3.985 4.977 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 27 ILE H 1 28 ASP QB . . 5.070 3.942 3.758 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
539 1 27 ILE H 1 29 LYS H . . 4.970 4.690 4.473 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 27 ILE HA 1 29 LYS H . . 4.070 3.539 3.280 3.772 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 27 ILE HA 1 30 ALA H . . 4.350 3.299 3.038 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 27 ILE HA 1 30 ALA HA . . 5.310 3.828 3.625 4.002 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 27 ILE HA 1 30 ALA MB . . 4.080 2.531 2.279 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 27 ILE HA 1 67 LEU QD . . 7.910 4.006 3.767 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 27 ILE HB 1 30 ALA MB . . 3.800 2.237 2.151 2.381 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 27 ILE MG 1 30 ALA MB . . 7.560 2.844 2.482 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 27 ILE HG12 1 67 LEU MD1 . . 8.280 4.259 3.721 5.095 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 27 ILE HG12 1 67 LEU MD2 . . 8.280 4.931 3.905 5.879 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 27 ILE HG13 1 67 LEU MD1 . . 8.280 3.043 2.371 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
550 1 27 ILE HG13 1 67 LEU MD2 . . 8.280 3.552 2.448 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 27 ILE QG 1 28 ASP H . . 6.380 3.171 3.063 3.290 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 27 ILE QG 1 30 ALA MB . . 7.410 3.878 3.710 4.025 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 27 ILE QG 1 67 LEU QD . . 7.050 2.537 2.324 2.875 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 27 ILE MD 1 67 LEU MD1 . . 7.560 2.250 2.025 2.697 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 27 ILE MD 1 67 LEU MD2 . . 7.560 3.117 2.254 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 28 ASP H 1 28 ASP HB2 . . 4.110 2.700 2.233 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 28 ASP H 1 28 ASP HB3 . . 4.110 2.460 2.041 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 28 ASP H 1 28 ASP QB . . 3.740 2.216 1.977 2.317 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 28 ASP H 1 29 LYS H . . 3.520 3.085 2.954 3.242 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 28 ASP H 1 30 ALA H . . 5.160 4.378 4.216 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 28 ASP HA 1 30 ALA H . . 5.000 4.115 3.888 4.274 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 28 ASP HA 1 70 LYS QE . . 6.380 4.433 3.207 5.702 . 0 0 "[ . 1 . 2 . 3]" 1
563 1 28 ASP HB2 1 29 LYS H . . 5.220 3.937 3.541 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 28 ASP HB3 1 29 LYS H . . 5.220 2.987 2.501 3.803 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 29 LYS H 1 29 LYS HB2 . . 4.110 3.230 2.256 3.777 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 29 LYS H 1 29 LYS HB3 . . 4.110 3.182 2.357 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 29 LYS H 1 29 LYS QB . . 3.750 2.697 2.205 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 29 LYS H 1 29 LYS HG2 . . 5.250 3.114 2.058 4.696 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 29 LYS H 1 29 LYS HG3 . . 5.250 3.300 2.269 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 29 LYS H 1 29 LYS QG . . 4.930 2.694 2.047 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 29 LYS H 1 29 LYS HD2 . . 5.500 4.447 2.833 5.432 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 29 LYS H 1 29 LYS HD3 . . 5.500 3.899 2.224 5.312 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 29 LYS H 1 29 LYS QE . . 6.380 4.489 3.306 5.554 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 29 LYS H 1 30 ALA H . . 3.360 2.728 2.532 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 29 LYS H 1 30 ALA HA . . 5.000 4.527 4.329 4.835 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 29 LYS H 1 30 ALA MB . . 5.630 4.214 4.033 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 29 LYS HA 1 29 LYS HD2 . . 5.500 4.377 2.534 5.506 0.006 6 0 "[ . 1 . 2 . 3]" 1
578 1 29 LYS HA 1 29 LYS HD3 . . 5.500 4.231 2.448 5.186 . 0 0 "[ . 1 . 2 . 3]" 1
579 1 29 LYS HA 1 31 GLY H . . 4.790 3.665 3.448 4.094 . 0 0 "[ . 1 . 2 . 3]" 1
580 1 29 LYS HA 1 32 ALA H . . 5.500 3.439 2.881 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 29 LYS HA 1 70 LYS QB . . 5.510 4.229 3.846 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 29 LYS HA 1 71 LYS H . . 5.500 4.483 3.998 4.959 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 29 LYS HB2 1 30 ALA H . . 5.040 4.447 4.152 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
584 1 29 LYS HB3 1 30 ALA H . . 5.040 4.559 3.983 4.719 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 29 LYS QB 1 30 ALA H . . 4.720 4.004 3.727 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 29 LYS QD 1 30 ALA H . . 6.380 5.223 4.447 5.753 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 29 LYS QD 1 71 LYS HA . . 6.380 4.585 2.790 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 30 ALA H 1 31 GLY H . . 4.140 2.770 2.615 2.913 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 30 ALA H 1 32 ALA H . . 5.440 4.191 3.864 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 30 ALA H 1 67 LEU MD1 . . 6.530 4.228 3.282 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 30 ALA H 1 67 LEU MD2 . . 6.530 4.312 2.783 5.385 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 30 ALA H 1 70 LYS QB . . 6.380 4.445 4.047 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 30 ALA HA 1 32 ALA H . . 4.660 3.972 3.722 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
594 1 30 ALA HA 1 33 ASN H . . 4.510 3.348 3.081 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 30 ALA HA 1 33 ASN QB . . 5.330 2.772 2.213 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 30 ALA HA 1 33 ASN HD21 . . 5.500 3.256 2.413 5.519 0.019 13 0 "[ . 1 . 2 . 3]" 1
597 1 30 ALA HA 1 33 ASN HD22 . . 5.500 4.539 2.024 5.543 0.043 13 0 "[ . 1 . 2 . 3]" 1
598 1 30 ALA HA 1 34 TYR QD . . 7.640 3.738 2.917 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 30 ALA HA 1 34 TYR QE . . 7.630 4.513 3.297 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 30 ALA HA 1 39 ILE MD . . 6.530 3.750 3.586 3.944 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 30 ALA MB 1 31 GLY HA3 . . 6.530 4.281 4.096 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 30 ALA MB 1 34 TYR QB . . 7.410 3.637 2.901 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 30 ALA MB 1 34 TYR QD . . 7.550 3.070 2.273 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 30 ALA MB 1 34 TYR QE . . 8.660 4.314 3.609 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 30 ALA MB 1 39 ILE MG . . 7.560 2.979 2.711 3.323 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 30 ALA MB 1 39 ILE HG12 . . 6.530 2.739 2.555 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 30 ALA MB 1 39 ILE HG13 . . 6.530 3.892 3.734 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 30 ALA MB 1 39 ILE QG . . 5.850 2.687 2.514 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 30 ALA MB 1 39 ILE MD . . 6.010 2.048 1.945 2.207 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 30 ALA MB 1 67 LEU MD1 . . 7.060 2.880 2.067 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 30 ALA MB 1 67 LEU MD2 . . 7.060 3.367 1.957 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 30 ALA MB 1 67 LEU QD . . 6.540 2.178 1.950 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 31 GLY H 1 32 ALA H . . 3.890 2.907 2.804 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 31 GLY H 1 32 ALA MB . . 6.120 4.606 4.455 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 31 GLY H 1 33 ASN H . . 5.500 4.349 4.188 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 31 GLY H 1 39 ILE MD . . 6.430 3.060 2.870 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 31 GLY H 1 67 LEU MD1 . . 6.530 4.486 3.555 5.479 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 31 GLY H 1 67 LEU MD2 . . 6.530 4.359 2.900 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 31 GLY H 1 68 ALA HA . . 5.500 3.922 3.499 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 31 GLY H 1 70 LYS H . . 4.820 4.624 3.867 4.889 0.069 11 0 "[ . 1 . 2 . 3]" 1
621 1 31 GLY H 1 70 LYS HB2 . . 5.440 4.134 3.794 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 31 GLY H 1 70 LYS HB3 . . 5.440 5.081 3.696 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 31 GLY H 1 70 LYS QB . . 5.300 3.929 3.624 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 31 GLY H 1 71 LYS HA . . 4.880 4.460 3.997 4.903 0.023 15 0 "[ . 1 . 2 . 3]" 1
625 1 31 GLY HA2 1 33 ASN H . . 5.500 4.370 3.877 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
626 1 31 GLY HA2 1 34 TYR H . . 5.100 3.750 3.517 3.962 . 0 0 "[ . 1 . 2 . 3]" 1
627 1 31 GLY HA2 1 39 ILE MD . . 4.850 2.295 2.167 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 31 GLY HA2 1 68 ALA HA . . 4.850 2.244 2.135 2.440 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 31 GLY HA3 1 33 ASN H . . 5.190 4.751 4.436 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 31 GLY HA3 1 69 GLU HA . . 5.500 5.124 4.791 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 31 GLY HA3 1 70 LYS H . . 4.600 4.000 3.072 4.444 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 31 GLY HA3 1 71 LYS HG2 . . 5.500 4.034 2.629 5.216 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 31 GLY HA3 1 71 LYS HG3 . . 5.500 3.995 2.760 5.504 0.004 29 0 "[ . 1 . 2 . 3]" 1
634 1 31 GLY HA3 1 71 LYS QE . . 6.380 3.940 3.096 5.038 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 32 ALA H 1 32 ALA MB . . 3.610 2.269 2.163 2.345 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 32 ALA H 1 33 ASN H . . 3.670 2.360 2.116 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 32 ALA H 1 71 LYS HA . . 4.820 3.692 2.830 4.541 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 32 ALA H 1 71 LYS QB . . 6.380 4.124 2.358 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 32 ALA H 1 71 LYS QG . . 6.380 3.385 2.434 5.291 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 32 ALA HA 1 71 LYS QB . . 6.380 4.247 2.694 5.542 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 32 ALA HA 1 71 LYS QG . . 6.010 3.426 2.312 4.766 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 32 ALA HA 1 71 LYS QE . . 6.380 3.822 2.395 5.322 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 32 ALA MB 1 33 ASN HA . . 6.250 3.896 3.775 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
644 1 32 ALA MB 1 33 ASN QB . . 7.410 4.182 3.584 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 32 ALA MB 1 33 ASN HD21 . . 6.530 3.562 2.438 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 32 ALA MB 1 33 ASN HD22 . . 6.530 4.164 2.797 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 33 ASN H 1 33 ASN HB2 . . 3.920 2.424 2.103 3.776 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 33 ASN H 1 33 ASN HB3 . . 3.920 3.570 3.152 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 33 ASN H 1 33 ASN QB . . 3.740 2.366 2.076 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 33 ASN H 1 34 TYR H . . 3.080 2.513 2.092 2.833 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 33 ASN H 1 34 TYR QB . . 6.260 4.800 4.108 5.200 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 33 ASN H 1 34 TYR QD . . 7.640 4.993 4.476 5.372 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 33 ASN H 1 34 TYR QE . . 7.630 5.856 5.341 6.453 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 33 ASN HA 1 34 TYR QD . . 7.640 4.736 4.428 5.802 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 33 ASN HB2 1 34 TYR H . . 4.540 2.665 2.234 3.610 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 33 ASN HB2 1 34 TYR QD . . 7.640 3.544 3.043 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 33 ASN HB2 1 34 TYR QE . . 7.630 3.946 3.522 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 33 ASN HB3 1 34 TYR H . . 4.540 3.407 2.838 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 33 ASN HB3 1 34 TYR QD . . 7.640 3.516 3.047 5.698 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 33 ASN HB3 1 34 TYR QE . . 7.630 3.452 3.048 5.973 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 33 ASN QB 1 34 TYR H . . 4.340 2.555 2.201 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 33 ASN QB 1 34 TYR QD . . 7.510 3.109 2.861 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 34 TYR H 1 34 TYR HB2 . . 4.070 2.707 2.298 2.880 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 34 TYR H 1 34 TYR HB3 . . 4.070 3.778 3.549 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 34 TYR H 1 34 TYR QB . . 3.790 2.649 2.271 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 34 TYR H 1 39 ILE MD . . 5.880 3.419 3.145 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 34 TYR HA 1 35 SER H . . 3.170 2.332 2.243 2.449 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 34 TYR HA 1 38 GLU HB2 . . 4.570 3.555 3.116 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 34 TYR HA 1 38 GLU HB3 . . 4.760 4.196 3.594 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 34 TYR HA 1 38 GLU HG2 . . 5.500 5.120 3.724 5.417 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 34 TYR HA 1 38 GLU HG3 . . 5.500 4.138 3.211 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 34 TYR HB2 1 35 SER H . . 4.380 3.823 3.451 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 34 TYR HB2 1 38 GLU HG2 . . 7.250 5.967 5.148 6.725 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 34 TYR HB2 1 38 GLU HG3 . . 7.250 5.333 4.715 6.217 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 34 TYR HB2 1 39 ILE H . . 5.500 3.847 3.560 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 34 TYR HB2 1 39 ILE HB . . 5.500 4.738 4.593 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
677 1 34 TYR HB2 1 39 ILE HG12 . . 5.000 2.508 2.307 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 34 TYR HB2 1 39 ILE HG13 . . 5.000 2.336 2.175 2.798 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 34 TYR HB2 1 39 ILE MD . . 5.630 2.873 2.358 3.238 . 0 0 "[ . 1 . 2 . 3]" 1
680 1 34 TYR HB3 1 35 SER H . . 4.380 3.018 2.300 3.419 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 34 TYR HB3 1 38 GLU HG2 . . 7.250 4.409 3.463 4.982 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 34 TYR HB3 1 38 GLU HG3 . . 7.250 3.816 3.037 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 34 TYR HB3 1 39 ILE H . . 5.500 3.643 3.126 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 34 TYR HB3 1 39 ILE HB . . 5.500 5.353 4.598 5.545 0.045 29 0 "[ . 1 . 2 . 3]" 1
685 1 34 TYR HB3 1 39 ILE HG12 . . 5.000 3.668 2.847 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 34 TYR HB3 1 39 ILE HG13 . . 5.000 3.085 2.302 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 34 TYR HB3 1 39 ILE MD . . 5.630 4.163 3.369 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 34 TYR QB 1 35 SER H . . 4.050 2.909 2.268 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 34 TYR QB 1 38 GLU HB2 . . 4.520 2.169 2.057 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 34 TYR QB 1 38 GLU HB3 . . 5.390 2.403 2.143 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 34 TYR QB 1 38 GLU QG . . 6.190 3.462 2.927 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 34 TYR QB 1 39 ILE H . . 5.290 3.302 3.047 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 34 TYR QB 1 39 ILE HB . . 5.180 4.421 4.179 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 34 TYR QB 1 39 ILE QG . . 4.080 2.073 1.985 2.167 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 34 TYR QB 1 39 ILE MD . . 4.980 2.824 2.319 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 34 TYR QD 1 35 SER H . . 7.640 4.320 3.410 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 34 TYR QD 1 38 GLU HA . . 7.640 6.011 4.792 6.470 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 34 TYR QD 1 38 GLU HB2 . . 7.640 4.209 3.098 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 34 TYR QD 1 38 GLU HB3 . . 6.550 3.878 2.417 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 34 TYR QD 1 38 GLU HG2 . . 7.640 5.408 3.894 5.987 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 34 TYR QD 1 38 GLU HG3 . . 7.640 4.769 3.176 5.796 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 34 TYR QD 1 39 ILE H . . 7.640 5.103 4.751 5.460 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 34 TYR QD 1 39 ILE HG12 . . 7.640 2.867 2.559 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 34 TYR QD 1 39 ILE HG13 . . 7.640 3.841 3.552 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 34 TYR QD 1 39 ILE MD . . 8.390 3.718 3.219 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 34 TYR QD 1 42 ILE MD . . 8.330 3.011 2.542 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 34 TYR QE 1 35 SER H . . 7.630 6.508 5.691 6.719 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 34 TYR QE 1 38 GLU HB3 . . 7.630 5.457 3.879 5.996 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 34 TYR QE 1 42 ILE MD . . 7.420 3.308 2.724 3.886 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 34 TYR HE1 1 42 ILE MD . . 6.530 4.873 3.619 5.346 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 35 SER H 1 35 SER QB . . 3.920 2.428 2.166 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 35 SER H 1 38 GLU H . . 4.350 3.597 3.193 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 35 SER H 1 38 GLU HA . . 5.380 5.316 4.812 5.422 0.042 9 0 "[ . 1 . 2 . 3]" 1
714 1 35 SER H 1 38 GLU HB2 . . 3.550 2.537 2.017 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
715 1 35 SER H 1 38 GLU HB3 . . 4.110 3.926 2.898 4.118 0.008 6 0 "[ . 1 . 2 . 3]" 1
716 1 35 SER H 1 38 GLU HG2 . . 5.500 3.941 2.772 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 35 SER H 1 38 GLU HG3 . . 5.500 2.982 1.977 4.425 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 35 SER H 1 39 ILE H . . 5.040 4.252 3.484 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 35 SER H 1 39 ILE QG . . 6.380 4.063 3.376 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 35 SER HA 1 36 GLU H . . 3.270 2.505 2.385 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 35 SER HA 1 36 GLU HA . . 5.470 4.349 4.079 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 35 SER HA 1 37 GLU H . . 5.190 4.633 4.366 5.094 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 35 SER HA 1 39 ILE MD . . 6.530 4.001 3.719 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 35 SER HB2 1 36 GLU H . . 4.040 3.402 2.352 4.051 0.011 1 0 "[ . 1 . 2 . 3]" 1
725 1 35 SER HB2 1 37 GLU H . . 5.500 3.691 2.753 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 35 SER HB2 1 38 GLU H . . 5.500 3.737 2.981 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 35 SER HB3 1 36 GLU H . . 4.040 2.903 2.183 3.863 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 35 SER HB3 1 37 GLU H . . 5.500 3.523 2.669 4.689 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 35 SER HB3 1 38 GLU H . . 5.500 4.055 2.892 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 35 SER QB 1 36 GLU H . . 3.770 2.542 2.162 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 35 SER QB 1 37 GLU H . . 4.850 2.988 2.647 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 35 SER QB 1 38 GLU H . . 4.800 3.277 2.841 3.893 . 0 0 "[ . 1 . 2 . 3]" 1
733 1 36 GLU H 1 36 GLU QB . . 3.730 2.559 2.202 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 36 GLU H 1 36 GLU QG . . 4.550 2.920 2.252 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 36 GLU H 1 37 GLU H . . 3.950 2.932 2.759 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 36 GLU H 1 37 GLU QB . . 6.380 4.709 4.428 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 36 GLU H 1 38 GLU H . . 5.410 4.279 3.982 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 36 GLU H 1 39 ILE H . . 5.500 4.774 4.669 4.862 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 36 GLU H 1 39 ILE MD . . 6.530 4.374 4.121 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 36 GLU H 1 68 ALA MB . . 4.760 2.712 2.313 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
741 1 36 GLU HA 1 36 GLU HG2 . . 4.140 3.524 2.531 3.753 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 36 GLU HA 1 36 GLU HG3 . . 4.140 3.842 2.525 4.188 0.048 13 0 "[ . 1 . 2 . 3]" 1
743 1 36 GLU HA 1 36 GLU QG . . 3.860 3.216 2.425 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 36 GLU HA 1 39 ILE H . . 4.380 3.510 3.280 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 36 GLU HA 1 39 ILE HB . . 3.890 2.696 2.424 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 36 GLU HA 1 39 ILE MG . . 6.120 4.099 3.841 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
747 1 36 GLU HA 1 39 ILE QG . . 6.380 3.791 3.612 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 36 GLU HA 1 39 ILE MD . . 4.920 3.178 2.971 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 36 GLU HA 1 40 LEU H . . 5.160 3.593 3.273 3.882 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 36 GLU HA 1 64 ALA MB . . 5.780 2.743 2.520 2.940 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 36 GLU HA 1 68 ALA MB . . 4.020 2.743 2.333 3.136 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 36 GLU HB2 1 37 GLU H . . 4.940 3.559 2.310 3.779 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 36 GLU HB2 1 64 ALA MB . . 5.260 3.261 2.811 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 36 GLU HB2 1 68 ALA MB . . 5.040 3.272 2.101 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
755 1 36 GLU HB3 1 37 GLU H . . 4.940 3.711 2.259 4.186 . 0 0 "[ . 1 . 2 . 3]" 1
756 1 36 GLU HB3 1 64 ALA MB . . 5.260 3.843 3.087 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 36 GLU HB3 1 68 ALA MB . . 5.040 2.471 1.976 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 36 GLU QB 1 37 GLU H . . 4.510 3.098 2.241 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 36 GLU QB 1 39 ILE MD . . 7.410 4.390 4.099 5.153 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 36 GLU QB 1 64 ALA MB . . 5.030 3.037 2.708 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 36 GLU QB 1 68 ALA MB . . 4.570 2.166 1.959 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 36 GLU HG2 1 37 GLU H . . 5.500 2.578 1.975 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 36 GLU HG3 1 37 GLU H . . 5.500 3.909 3.020 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
764 1 36 GLU QG 1 37 GLU H . . 4.730 2.480 1.965 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 36 GLU QG 1 64 ALA MB . . 5.860 3.892 2.046 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 36 GLU QG 1 65 ALA HA . . 4.740 3.346 2.121 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 36 GLU QG 1 68 ALA MB . . 5.300 3.413 1.837 3.825 . 0 0 "[ . 1 . 2 . 3]" 1
768 1 37 GLU H 1 37 GLU HB2 . . 3.860 2.368 2.052 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 37 GLU H 1 37 GLU HB3 . . 3.860 3.242 2.546 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 37 GLU H 1 37 GLU QB . . 3.570 2.257 2.016 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 37 GLU H 1 37 GLU HG2 . . 5.500 3.754 2.080 4.637 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 37 GLU H 1 37 GLU HG3 . . 5.500 3.311 2.094 4.222 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 37 GLU H 1 38 GLU H . . 3.730 2.859 2.690 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 37 GLU H 1 38 GLU HB2 . . 5.500 4.946 4.604 5.521 0.021 18 0 "[ . 1 . 2 . 3]" 1
775 1 37 GLU H 1 38 GLU QG . . 6.380 4.584 4.164 5.616 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 37 GLU H 1 39 ILE H . . 5.470 4.376 4.178 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 37 GLU HA 1 39 ILE H . . 5.340 4.786 4.613 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 37 GLU HA 1 40 LEU H . . 4.350 3.858 3.588 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 37 GLU HA 1 40 LEU HB2 . . 4.260 3.744 3.432 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 37 GLU HA 1 40 LEU MD2 . . 5.410 3.350 3.023 3.674 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 37 GLU HA 1 41 ASP H . . 5.100 4.083 3.719 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 37 GLU HB2 1 38 GLU H . . 4.320 3.381 2.827 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
783 1 37 GLU HB3 1 38 GLU H . . 4.320 3.444 2.694 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
784 1 37 GLU QB 1 38 GLU H . . 4.120 2.920 2.636 3.567 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 37 GLU QG 1 38 GLU H . . 6.380 4.254 2.202 4.849 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 38 GLU H 1 38 GLU HB2 . . 3.550 2.292 2.069 2.493 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 38 GLU H 1 38 GLU HB3 . . 3.950 3.542 3.243 3.607 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 38 GLU H 1 38 GLU HG2 . . 4.420 3.151 2.166 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 38 GLU H 1 38 GLU HG3 . . 4.420 3.150 2.330 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 38 GLU H 1 38 GLU QG . . 4.220 2.591 2.148 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 38 GLU H 1 39 ILE H . . 3.610 2.368 2.243 2.557 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 38 GLU H 1 39 ILE HG12 . . 5.500 5.562 5.539 5.619 0.119 10 0 "[ . 1 . 2 . 3]" 1
793 1 38 GLU H 1 39 ILE HG13 . . 5.500 4.065 3.979 4.212 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 38 GLU H 1 40 LEU H . . 5.440 3.828 3.666 4.013 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 38 GLU HA 1 38 GLU HG2 . . 3.860 2.716 2.242 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
796 1 38 GLU HA 1 38 GLU HG3 . . 3.860 3.426 2.520 3.864 0.004 18 0 "[ . 1 . 2 . 3]" 1
797 1 38 GLU HA 1 40 LEU H . . 5.500 4.522 4.398 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 38 GLU HA 1 41 ASP H . . 4.380 3.425 3.287 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 38 GLU HA 1 41 ASP HB2 . . 4.200 3.165 2.603 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 38 GLU HA 1 41 ASP HB3 . . 4.200 2.990 2.692 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 38 GLU HA 1 42 ILE H . . 5.340 4.139 3.952 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 38 GLU HB2 1 39 ILE H . . 3.980 2.522 2.395 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 38 GLU HB2 1 39 ILE HG12 . . 5.500 4.499 4.171 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 38 GLU HB2 1 39 ILE HG13 . . 5.500 3.287 2.982 3.983 . 0 0 "[ . 1 . 2 . 3]" 1
805 1 38 GLU HB3 1 39 ILE H . . 4.350 3.501 2.870 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 38 GLU HB3 1 42 ILE MD . . 6.190 3.501 3.009 4.235 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 38 GLU HG2 1 39 ILE H . . 5.500 4.709 4.024 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 38 GLU HG3 1 39 ILE H . . 5.500 4.602 4.092 5.046 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 39 ILE H 1 39 ILE HB . . 3.300 2.495 2.403 2.605 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 39 ILE H 1 39 ILE HG12 . . 4.230 3.374 3.286 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 39 ILE H 1 39 ILE HG13 . . 4.230 2.126 2.071 2.227 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 39 ILE H 1 39 ILE QG . . 3.760 2.105 2.052 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 39 ILE H 1 39 ILE MD . . 4.980 3.596 3.495 3.718 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 39 ILE H 1 40 LEU H . . 4.510 2.656 2.608 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 39 ILE H 1 40 LEU HA . . 5.250 5.269 5.252 5.283 0.033 19 0 "[ . 1 . 2 . 3]" 1
816 1 39 ILE H 1 40 LEU HB3 . . 5.340 4.765 4.652 4.932 . 0 0 "[ . 1 . 2 . 3]" 1
817 1 39 ILE H 1 41 ASP H . . 5.500 4.213 4.105 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
818 1 39 ILE H 1 64 ALA MB . . 5.880 4.198 4.005 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 39 ILE HA 1 39 ILE HG12 . . 2.830 2.362 2.259 2.430 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 39 ILE HA 1 39 ILE HG13 . . 2.830 2.905 2.870 2.932 0.102 25 0 "[ . 1 . 2 . 3]" 1
821 1 39 ILE HA 1 39 ILE QG . . 2.570 2.263 2.188 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
822 1 39 ILE HA 1 42 ILE H . . 3.920 3.336 3.219 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 39 ILE HA 1 42 ILE HB . . 5.500 2.695 2.424 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 39 ILE HA 1 42 ILE MD . . 3.990 2.451 2.209 2.950 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 39 ILE HA 1 43 ILE H . . 4.850 4.119 3.971 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 39 ILE HB 1 40 LEU H . . 3.670 2.629 2.505 2.752 . 0 0 "[ . 1 . 2 . 3]" 1
827 1 39 ILE HB 1 40 LEU HA . . 5.500 4.392 4.295 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 39 ILE HB 1 64 ALA HA . . 4.970 3.202 2.772 3.492 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 39 ILE HB 1 64 ALA MB . . 5.070 2.695 2.485 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 39 ILE MG 1 40 LEU H . . 5.320 3.475 3.266 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
831 1 39 ILE MG 1 40 LEU HA . . 5.540 3.614 3.286 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 39 ILE MG 1 42 ILE HB . . 6.400 3.565 3.260 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 39 ILE MG 1 42 ILE MD . . 7.560 3.818 3.625 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 39 ILE MG 1 43 ILE H . . 6.220 3.760 3.498 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 39 ILE MG 1 43 ILE HB . . 6.530 4.178 3.918 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 39 ILE MG 1 43 ILE HG12 . . 5.780 3.752 3.565 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 39 ILE MG 1 43 ILE MD . . 5.850 2.042 1.963 2.145 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 39 ILE MG 1 63 VAL MG1 . . 7.560 3.545 3.222 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
839 1 39 ILE MG 1 64 ALA H . . 6.160 4.240 3.957 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 39 ILE MG 1 64 ALA HA . . 3.610 2.222 2.098 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 39 ILE MG 1 64 ALA MB . . 5.790 2.820 2.474 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
842 1 39 ILE MG 1 67 LEU HB2 . . 4.570 2.790 2.355 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 39 ILE MG 1 67 LEU HB3 . . 4.540 3.015 2.575 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 39 ILE MG 1 67 LEU QD . . 8.160 2.942 2.596 3.147 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 39 ILE MG 1 68 ALA H . . 6.530 4.536 4.171 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 39 ILE MG 1 68 ALA MB . . 7.560 4.773 4.218 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 39 ILE QG 1 40 LEU H . . 6.380 4.002 3.936 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 39 ILE QG 1 67 LEU HB2 . . 6.380 5.059 4.576 5.470 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 39 ILE MD 1 40 LEU H . . 6.530 4.614 4.453 4.792 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 39 ILE MD 1 64 ALA HA . . 5.500 3.667 3.346 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 39 ILE MD 1 67 LEU HB2 . . 4.510 3.114 2.643 3.516 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 39 ILE MD 1 67 LEU HB3 . . 4.200 2.383 2.118 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 39 ILE MD 1 67 LEU MD1 . . 7.560 3.448 2.783 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 39 ILE MD 1 67 LEU MD2 . . 7.560 3.979 2.881 4.710 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 39 ILE MD 1 68 ALA H . . 5.040 3.463 3.105 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
856 1 39 ILE MD 1 68 ALA HA . . 3.890 3.028 2.653 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 39 ILE MD 1 68 ALA MB . . 6.100 3.234 2.594 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 40 LEU H 1 40 LEU HB2 . . 3.110 2.507 2.444 2.592 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 40 LEU H 1 40 LEU HB3 . . 3.360 2.513 2.431 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 40 LEU H 1 40 LEU HG . . 5.190 4.477 4.416 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 40 LEU H 1 40 LEU MD1 . . 5.470 4.069 4.023 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 40 LEU H 1 40 LEU MD2 . . 5.380 4.245 4.195 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 40 LEU H 1 41 ASP H . . 3.790 2.833 2.758 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 40 LEU H 1 43 ILE MD . . 6.530 3.911 3.742 4.183 . 0 0 "[ . 1 . 2 . 3]" 1
865 1 40 LEU H 1 64 ALA HA . . 5.500 4.481 4.234 4.691 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 40 LEU HA 1 40 LEU HG . . 4.230 3.226 2.989 3.320 . 0 0 "[ . 1 . 2 . 3]" 1
867 1 40 LEU HA 1 40 LEU MD1 . . 3.550 2.108 2.070 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 40 LEU HA 1 43 ILE H . . 4.040 3.338 3.170 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 40 LEU HA 1 43 ILE HB . . 3.610 2.589 2.342 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 40 LEU HA 1 43 ILE MG . . 5.660 4.015 3.820 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 40 LEU HA 1 43 ILE HG12 . . 5.500 4.883 4.697 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 40 LEU HA 1 43 ILE HG13 . . 4.350 3.876 3.620 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 40 LEU HA 1 43 ILE MD . . 4.230 2.311 2.166 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 40 LEU HA 1 44 LEU H . . 5.380 3.949 3.736 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
875 1 40 LEU HA 1 60 ALA MB . . 5.940 3.770 3.390 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 40 LEU HB2 1 40 LEU MD1 . . 3.610 2.421 2.335 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 40 LEU HB2 1 41 ASP H . . 3.950 3.865 3.802 3.949 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 40 LEU HB2 1 61 GLU HA . . 5.500 3.688 3.338 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 40 LEU HB3 1 41 ASP H . . 3.670 2.492 2.417 2.588 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 40 LEU HG 1 41 ASP H . . 5.470 3.623 3.418 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 40 LEU HG 1 44 LEU H . . 5.500 4.402 3.916 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 40 LEU HG 1 44 LEU QD . . 5.310 2.169 2.051 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 40 LEU MD1 1 41 ASP H . . 6.530 4.381 4.271 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 40 LEU MD1 1 43 ILE H . . 6.530 4.304 4.093 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 40 LEU MD1 1 43 ILE HB . . 4.670 2.796 2.567 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 40 LEU MD1 1 43 ILE MD . . 6.900 3.102 2.868 3.262 . 0 0 "[ . 1 . 2 . 3]" 1
887 1 40 LEU MD1 1 44 LEU H . . 5.570 3.607 3.477 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
888 1 40 LEU MD1 1 44 LEU QD . . 7.330 2.391 2.216 2.638 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 40 LEU MD1 1 60 ALA H . . 6.530 4.320 4.117 4.486 . 0 0 "[ . 1 . 2 . 3]" 1
890 1 40 LEU MD1 1 60 ALA HA . . 5.880 3.709 3.535 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
891 1 40 LEU MD1 1 60 ALA MB . . 5.880 2.035 1.948 2.176 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 40 LEU MD1 1 61 GLU H . . 5.190 3.010 2.843 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 40 LEU MD1 1 61 GLU HA . . 3.860 2.221 2.085 2.327 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 40 LEU MD1 1 61 GLU HB2 . . 6.370 4.235 3.910 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 40 LEU MD1 1 61 GLU HB3 . . 5.630 4.218 3.889 4.584 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 40 LEU MD1 1 61 GLU HG2 . . 4.570 2.995 2.227 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 40 LEU MD1 1 61 GLU HG3 . . 4.700 2.871 2.422 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 40 LEU MD1 1 64 ALA H . . 6.310 3.625 3.305 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 40 LEU MD2 1 41 ASP H . . 6.030 4.265 4.050 4.407 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 40 LEU MD2 1 61 GLU HA . . 5.100 2.639 2.403 3.088 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 40 LEU MD2 1 61 GLU HB2 . . 6.470 4.452 4.200 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 40 LEU MD2 1 61 GLU HB3 . . 5.750 3.811 3.354 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 40 LEU MD2 1 61 GLU HG2 . . 4.170 2.263 2.115 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 40 LEU MD2 1 61 GLU HG3 . . 4.850 3.008 2.367 3.792 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 41 ASP H 1 41 ASP HB2 . . 3.520 2.322 2.105 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 41 ASP H 1 41 ASP HB3 . . 3.520 2.809 2.581 3.217 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 41 ASP H 1 41 ASP QB . . 3.310 2.209 2.076 2.280 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 41 ASP H 1 42 ILE H . . 3.700 2.940 2.821 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 41 ASP H 1 43 ILE H . . 5.310 4.322 4.088 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 41 ASP H 1 44 LEU H . . 5.500 4.735 4.653 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 41 ASP HA 1 44 LEU H . . 4.260 3.478 3.314 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 41 ASP HA 1 44 LEU QB . . 4.770 2.548 2.353 3.059 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 41 ASP HA 1 45 ASN H . . 4.350 4.222 3.922 4.381 0.031 19 0 "[ . 1 . 2 . 3]" 1
914 1 41 ASP HA 1 45 ASN HD21 . . 5.500 3.125 2.463 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 41 ASP HA 1 45 ASN HD22 . . 5.500 3.299 2.855 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 41 ASP HA 1 45 ASN QD . . 5.000 2.808 2.338 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 41 ASP HB2 1 42 ILE H . . 4.170 3.739 3.203 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 41 ASP HB2 1 45 ASN HD21 . . 5.500 4.435 4.084 5.531 0.031 25 0 "[ . 1 . 2 . 3]" 1
919 1 41 ASP HB2 1 45 ASN HD22 . . 5.500 4.607 3.996 5.453 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 41 ASP HB3 1 42 ILE H . . 4.170 2.550 2.340 2.738 . 0 0 "[ . 1 . 2 . 3]" 1
921 1 41 ASP HB3 1 45 ASN HD21 . . 5.500 4.229 3.367 5.565 0.065 18 0 "[ . 1 . 2 . 3]" 1
922 1 41 ASP HB3 1 45 ASN HD22 . . 5.500 4.840 3.036 5.615 0.115 21 0 "[ . 1 . 2 . 3]" 1
923 1 41 ASP QB 1 42 ILE H . . 3.970 2.507 2.317 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 41 ASP QB 1 42 ILE HA . . 6.380 4.137 3.802 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 41 ASP QB 1 42 ILE HB . . 6.380 4.720 4.509 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
926 1 42 ILE H 1 42 ILE HB . . 2.960 2.494 2.400 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 42 ILE H 1 42 ILE MD . . 5.010 3.369 3.148 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
928 1 42 ILE H 1 43 ILE H . . 3.730 2.876 2.783 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 42 ILE H 1 43 ILE HB . . 5.250 5.015 4.889 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 42 ILE H 1 44 LEU H . . 5.130 4.291 4.216 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 42 ILE H 1 45 ASN H . . 5.500 4.786 4.635 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 42 ILE HA 1 42 ILE QG . . 3.920 2.441 2.350 2.539 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 42 ILE HA 1 46 GLY H . . 4.170 4.239 4.197 4.314 0.144 23 0 "[ . 1 . 2 . 3]" 1
934 1 42 ILE HA 1 47 GLN HB2 . . 5.500 3.783 3.601 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 42 ILE HA 1 47 GLN HB3 . . 5.500 4.659 4.425 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 42 ILE HB 1 42 ILE QG . . 2.650 2.413 2.383 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 42 ILE HB 1 42 ILE MD . . 3.460 2.310 2.254 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 42 ILE HB 1 43 ILE H . . 3.700 2.828 2.519 3.300 . 0 0 "[ . 1 . 2 . 3]" 1
939 1 42 ILE HB 1 47 GLN HB2 . . 5.500 5.324 5.091 5.577 0.077 22 0 "[ . 1 . 2 . 3]" 1
940 1 42 ILE HB 1 47 GLN HB3 . . 5.500 5.525 5.455 5.607 0.107 3 0 "[ . 1 . 2 . 3]" 1
941 1 42 ILE HB 1 50 MET ME . . 6.500 4.429 3.804 4.739 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 42 ILE MG 1 50 MET ME . . 6.500 2.649 2.400 2.960 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 42 ILE QG 1 47 GLN QB . . 4.920 3.036 2.726 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 42 ILE MD 1 43 ILE H . . 6.280 4.638 4.393 4.979 . 0 0 "[ . 1 . 2 . 3]" 1
945 1 42 ILE MD 1 47 GLN HE21 . . 6.000 4.275 3.234 5.019 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 42 ILE MD 1 47 GLN HE22 . . 5.320 3.476 2.802 4.303 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 43 ILE H 1 43 ILE HB . . 2.800 2.436 2.364 2.504 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 43 ILE H 1 43 ILE HG12 . . 3.980 3.708 3.560 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 43 ILE H 1 43 ILE HG13 . . 3.020 2.316 2.152 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 43 ILE H 1 43 ILE MD . . 4.850 3.281 3.121 3.481 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 43 ILE H 1 44 LEU H . . 3.610 2.673 2.385 2.843 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 43 ILE H 1 44 LEU HG . . 5.500 4.600 4.346 4.817 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 43 ILE H 1 45 ASN H . . 5.340 4.129 3.840 4.445 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 43 ILE H 1 46 GLY H . . 5.500 5.297 4.996 5.599 0.099 22 0 "[ . 1 . 2 . 3]" 1
955 1 43 ILE H 1 50 MET ME . . 6.500 4.041 3.692 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 43 ILE HA 1 43 ILE HG12 . . 3.550 2.619 2.513 2.728 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 43 ILE HA 1 50 MET ME . . 3.000 2.180 2.025 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 43 ILE HB 1 44 LEU H . . 3.420 2.694 2.577 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
959 1 43 ILE HB 1 60 ALA MB . . 4.670 2.981 2.721 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
960 1 43 ILE MG 1 44 LEU H . . 5.100 3.373 3.246 3.542 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 43 ILE MG 1 44 LEU HA . . 5.290 3.485 3.299 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
962 1 43 ILE MG 1 50 MET ME . . 6.500 3.353 3.109 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
963 1 43 ILE MG 1 54 ILE H . . 6.030 3.745 3.501 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 43 ILE MG 1 55 ALA H . . 4.330 2.537 2.296 2.897 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 43 ILE MG 1 60 ALA HA . . 4.420 2.573 2.390 2.727 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 43 ILE MG 1 60 ALA MB . . 5.600 2.171 2.050 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 43 ILE HG12 1 44 LEU H . . 5.500 5.135 5.069 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 43 ILE HG12 1 50 MET ME . . 6.500 3.033 2.827 3.334 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 43 ILE HG12 1 60 ALA HA . . 5.500 5.118 4.921 5.465 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 43 ILE HG12 1 60 ALA MB . . 6.530 4.747 4.448 5.000 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 43 ILE HG12 1 63 VAL MG1 . . 5.940 3.611 3.112 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 43 ILE HG13 1 50 MET ME . . 6.500 3.359 3.159 3.514 . 0 0 "[ . 1 . 2 . 3]" 1
973 1 43 ILE MD 1 44 LEU H . . 6.250 4.484 4.343 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 43 ILE MD 1 55 ALA MB . . 6.810 3.867 3.563 4.259 . 0 0 "[ . 1 . 2 . 3]" 1
975 1 43 ILE MD 1 60 ALA HA . . 4.640 3.233 2.996 3.543 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 43 ILE MD 1 60 ALA MB . . 6.590 3.299 2.954 3.599 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 43 ILE MD 1 63 VAL H . . 6.160 4.554 4.371 4.718 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 43 ILE MD 1 64 ALA H . . 5.010 2.869 2.689 3.034 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 43 ILE MD 1 64 ALA HA . . 4.980 2.760 2.446 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 44 LEU H 1 44 LEU HB2 . . 3.830 2.360 2.297 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 44 LEU H 1 44 LEU HB3 . . 3.830 3.564 3.537 3.590 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 44 LEU H 1 44 LEU QB . . 3.540 2.329 2.269 2.374 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 44 LEU H 1 44 LEU HG . . 3.110 2.454 2.369 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 44 LEU H 1 45 ASN H . . 3.610 2.801 2.594 2.998 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 44 LEU H 1 46 GLY H . . 5.000 4.317 4.127 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 44 LEU H 1 60 ALA MB . . 6.310 4.172 3.960 4.490 . 0 0 "[ . 1 . 2 . 3]" 1
987 1 44 LEU HA 1 53 GLY H . . 3.860 3.211 2.860 3.440 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 44 LEU HA 1 53 GLY HA2 . . 5.340 2.570 2.321 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 44 LEU HA 1 54 ILE H . . 5.500 4.607 4.120 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
990 1 44 LEU HB2 1 45 ASN H . . 3.920 3.154 3.071 3.250 . 0 0 "[ . 1 . 2 . 3]" 1
991 1 44 LEU HB2 1 45 ASN HD21 . . 7.230 3.509 2.634 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 44 LEU HB2 1 45 ASN HD22 . . 7.230 3.502 2.993 4.095 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 44 LEU HB3 1 45 ASN H . . 3.920 3.947 3.891 3.984 0.064 24 0 "[ . 1 . 2 . 3]" 1
994 1 44 LEU HB3 1 45 ASN HD21 . . 7.230 4.366 3.118 5.553 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 44 LEU HB3 1 45 ASN HD22 . . 7.230 4.050 3.323 5.169 . 0 0 "[ . 1 . 2 . 3]" 1
996 1 44 LEU QB 1 45 ASN H . . 3.650 3.034 2.963 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 44 LEU QB 1 45 ASN QD . . 5.850 2.928 2.399 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 44 LEU QB 1 46 GLY H . . 6.190 4.587 4.490 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 44 LEU HG 1 45 ASN H . . 5.500 4.819 4.703 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 44 LEU HG 1 60 ALA MB . . 4.980 3.027 2.565 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 44 LEU QD 1 45 ASN H . . 7.070 4.422 4.385 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 44 LEU QD 1 45 ASN QD . . 8.810 3.693 3.260 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 44 LEU QD 1 55 ALA H . . 8.100 4.846 4.429 5.382 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 44 LEU QD 1 56 LYS HA . . 5.460 2.572 2.143 2.943 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 44 LEU QD 1 57 GLY H . . 5.900 3.139 2.497 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 44 LEU QD 1 57 GLY QA . . 8.980 4.272 3.727 4.884 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 44 LEU QD 1 60 ALA H . . 8.100 4.506 3.962 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
1008 1 44 LEU QD 1 60 ALA HA . . 8.100 4.735 4.261 5.212 . 0 0 "[ . 1 . 2 . 3]" 1
1009 1 44 LEU QD 1 60 ALA MB . . 7.200 2.427 2.014 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 45 ASN H 1 45 ASN HB2 . . 3.450 2.846 2.595 3.670 0.220 18 0 "[ . 1 . 2 . 3]" 1
1011 1 45 ASN H 1 45 ASN HB3 . . 3.950 3.752 3.377 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 45 ASN H 1 45 ASN HD21 . . 5.500 3.665 2.625 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 45 ASN H 1 45 ASN HD22 . . 5.500 4.486 3.789 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 45 ASN H 1 45 ASN QD . . 5.290 3.486 2.599 3.986 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 45 ASN H 1 46 GLY H . . 3.140 2.163 2.023 2.573 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 45 ASN H 1 46 GLY HA2 . . 4.850 3.807 3.648 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 45 ASN H 1 46 GLY HA3 . . 5.250 4.633 4.568 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 45 ASN H 1 52 GLY HA2 . . 5.500 4.213 4.022 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 45 ASN H 1 52 GLY HA3 . . 5.500 4.544 4.261 4.773 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 45 ASN H 1 53 GLY H . . 5.500 3.830 3.579 4.102 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 45 ASN HA 1 45 ASN HD22 . . 5.500 4.810 4.599 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 45 ASN HA 1 46 GLY HA2 . . 5.500 4.981 4.774 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 45 ASN HA 1 46 GLY HA3 . . 5.500 4.734 4.536 4.841 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 45 ASN HA 1 52 GLY QA . . 5.980 3.016 2.470 3.540 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 45 ASN HA 1 53 GLY H . . 4.850 4.073 3.608 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 45 ASN HB2 1 46 GLY H . . 4.450 3.932 3.777 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 45 ASN HB3 1 46 GLY H . . 4.850 4.355 4.318 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 46 GLY H 1 47 GLN H . . 4.940 4.707 4.352 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 46 GLY H 1 52 GLY H . . 5.500 4.368 4.154 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 46 GLY H 1 52 GLY HA2 . . 4.380 2.136 1.997 2.393 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 46 GLY H 1 52 GLY HA3 . . 4.380 2.679 2.308 3.027 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 46 GLY H 1 52 GLY QA . . 4.200 2.047 1.929 2.253 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 46 GLY H 1 53 GLY H . . 5.220 2.536 2.321 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 46 GLY HA2 1 50 MET QB . . 6.100 3.314 2.658 3.488 . 0 0 "[ . 1 . 2 . 3]" 1
1035 1 46 GLY HA2 1 50 MET QG . . 6.380 2.812 2.558 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
1036 1 46 GLY HA2 1 50 MET ME . . 6.500 2.254 2.120 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 46 GLY HA2 1 52 GLY H . . 4.820 4.328 4.129 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 46 GLY HA2 1 52 GLY HA2 . . 4.290 2.755 2.524 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
1039 1 46 GLY HA2 1 52 GLY HA3 . . 4.290 3.938 3.488 4.295 0.005 14 0 "[ . 1 . 2 . 3]" 1
1040 1 46 GLY HA2 1 52 GLY QA . . 4.060 2.703 2.471 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 46 GLY HA3 1 47 GLN HA . . 5.470 4.604 4.494 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 46 GLY HA3 1 50 MET QB . . 5.950 3.202 2.237 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
1043 1 46 GLY HA3 1 50 MET ME . . 6.500 3.387 3.036 3.551 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 46 GLY HA3 1 51 PRO HA . . 4.910 4.109 3.745 4.843 . 0 0 "[ . 1 . 2 . 3]" 1
1045 1 46 GLY HA3 1 52 GLY H . . 4.200 2.921 2.674 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 46 GLY HA3 1 52 GLY HA2 . . 3.860 2.218 2.114 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 46 GLY HA3 1 52 GLY HA3 . . 3.860 2.916 2.461 3.199 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 46 GLY HA3 1 52 GLY QA . . 3.440 2.147 2.038 2.249 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 46 GLY HA3 1 54 ILE HB . . 5.500 5.710 5.658 5.762 0.262 28 0 "[ . 1 . 2 . 3]" 1
1050 1 47 GLN H 1 48 GLY H . . 5.130 4.152 4.053 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
1051 1 47 GLN H 1 50 MET H . . 4.850 3.539 3.404 4.892 0.042 22 0 "[ . 1 . 2 . 3]" 1
1052 1 47 GLN HA 1 47 GLN QG . . 3.930 2.594 2.374 2.822 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 47 GLN HA 1 48 GLY H . . 2.960 2.384 2.326 2.443 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 47 GLN HA 1 48 GLY HA2 . . 5.040 4.437 4.317 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 47 GLN HA 1 48 GLY HA3 . . 5.500 4.615 4.559 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 47 GLN HB2 1 48 GLY H . . 5.500 4.170 4.076 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 47 GLN HB3 1 48 GLY H . . 5.500 4.270 3.645 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 47 GLN QB 1 50 MET QB . . 7.250 2.947 2.754 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
1059 1 47 GLN HG2 1 48 GLY H . . 4.910 3.346 2.163 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 47 GLN HG2 1 48 GLY HA2 . . 5.500 4.893 3.812 5.609 0.109 3 0 "[ . 1 . 2 . 3]" 1
1061 1 47 GLN HG2 1 48 GLY HA3 . . 5.500 3.868 3.345 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 47 GLN HG3 1 48 GLY H . . 4.910 2.643 2.322 3.237 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 47 GLN HG3 1 48 GLY HA2 . . 5.500 4.619 3.958 5.274 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 47 GLN HG3 1 48 GLY HA3 . . 5.500 4.114 3.261 5.228 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 47 GLN QG 1 48 GLY H . . 4.600 2.478 2.114 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 48 GLY H 1 49 GLY H . . 4.690 4.453 4.328 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 48 GLY HA2 1 49 GLY H . . 3.610 3.361 3.234 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 48 GLY HA3 1 49 GLY H . . 3.080 2.226 2.171 2.372 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 48 GLY HA3 1 50 MET H . . 4.940 3.787 3.596 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
1070 1 49 GLY H 1 50 MET H . . 4.140 2.658 2.471 2.754 . 0 0 "[ . 1 . 2 . 3]" 1
1071 1 50 MET HA 1 50 MET QG . . 3.610 2.308 2.112 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 50 MET QG 1 51 PRO QD . . 4.750 2.426 2.152 2.554 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 50 MET QG 1 54 ILE MD . . 7.380 2.710 2.101 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
1074 1 50 MET ME 1 51 PRO HD3 . . 6.500 5.483 5.443 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 50 MET ME 1 51 PRO HD2 . . 6.500 4.099 3.990 4.240 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 50 MET ME 1 54 ILE HB . . 6.500 3.006 2.813 3.316 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 50 MET ME 1 54 ILE MD . . 6.500 2.680 2.060 4.520 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 51 PRO HB2 1 52 GLY H . . 3.920 3.368 2.622 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 51 PRO HB3 1 52 GLY H . . 3.920 3.924 3.795 3.990 0.070 16 0 "[ . 1 . 2 . 3]" 1
1080 1 51 PRO QB 1 54 ILE H . . 6.380 5.331 5.071 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
1081 1 51 PRO QB 1 54 ILE QG . . 7.250 3.579 3.297 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 51 PRO QB 1 54 ILE MD . . 6.880 3.823 3.625 4.010 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 51 PRO QG 1 54 ILE H . . 6.380 4.891 4.427 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 51 PRO QG 1 54 ILE QG . . 7.250 2.377 2.177 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 51 PRO QG 1 54 ILE MD . . 5.210 2.319 2.062 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
1086 1 51 PRO QD 1 54 ILE MD . . 5.080 2.314 1.996 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 52 GLY H 1 53 GLY H . . 4.660 4.404 4.057 4.586 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 52 GLY HA2 1 53 GLY H . . 3.580 2.070 1.983 2.203 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 52 GLY HA3 1 53 GLY H . . 3.580 2.970 2.828 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
1090 1 52 GLY QA 1 54 ILE H . . 5.820 3.337 2.982 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
1091 1 53 GLY H 1 54 ILE H . . 3.980 2.422 2.337 2.566 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 53 GLY H 1 55 ALA H . . 5.000 4.612 4.449 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 53 GLY HA2 1 55 ALA H . . 4.850 3.924 3.689 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 53 GLY HA2 1 56 LYS QE . . 6.380 3.912 2.417 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 53 GLY HA3 1 54 ILE QG . . 6.380 5.318 5.057 5.630 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 53 GLY HA3 1 55 ALA H . . 5.500 5.131 4.922 5.482 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 53 GLY HA3 1 56 LYS QE . . 6.380 3.487 2.300 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 54 ILE H 1 54 ILE HB . . 3.330 2.014 1.982 2.063 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 54 ILE H 1 54 ILE HG12 . . 4.230 3.880 2.599 4.241 0.011 1 0 "[ . 1 . 2 . 3]" 1
1100 1 54 ILE H 1 54 ILE HG13 . . 4.230 3.140 2.712 4.055 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 54 ILE H 1 54 ILE QG . . 3.770 2.881 2.547 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 54 ILE H 1 54 ILE MD . . 5.780 3.462 3.033 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 54 ILE H 1 55 ALA H . . 3.480 2.856 2.650 3.084 . 0 0 "[ . 1 . 2 . 3]" 1
1104 1 54 ILE HA 1 54 ILE HG12 . . 3.980 2.655 2.459 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 54 ILE HA 1 54 ILE HG13 . . 3.980 2.576 2.207 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 54 ILE HA 1 54 ILE QG . . 3.540 2.255 2.139 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 54 ILE HB 1 55 ALA H . . 3.920 2.831 2.685 3.004 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 54 ILE MG 1 55 ALA H . . 5.440 2.467 2.313 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 54 ILE MG 1 55 ALA HA . . 6.120 3.776 3.634 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 54 ILE QG 1 55 ALA H . . 6.190 4.345 4.295 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 55 ALA H 1 56 LYS H . . 4.880 4.516 4.428 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 55 ALA H 1 56 LYS HA . . 5.500 5.083 4.863 5.226 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 55 ALA H 1 56 LYS QG . . 6.380 4.600 4.173 5.597 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 55 ALA HA 1 56 LYS H . . 2.960 2.374 2.313 2.439 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 55 ALA MB 1 56 LYS H . . 4.050 2.631 2.538 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 55 ALA MB 1 56 LYS HA . . 6.120 3.985 3.823 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 55 ALA MB 1 59 GLU H . . 6.530 4.753 4.359 5.032 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 55 ALA MB 1 59 GLU HB2 . . 6.530 3.876 2.740 4.281 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 55 ALA MB 1 59 GLU HB3 . . 4.850 2.481 2.109 3.015 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 55 ALA MB 1 59 GLU QG . . 5.330 2.542 2.046 3.775 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 55 ALA MB 1 60 ALA H . . 5.260 3.160 2.910 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 55 ALA MB 1 60 ALA HA . . 4.170 2.472 2.305 2.730 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 55 ALA MB 1 60 ALA MB . . 6.010 2.461 2.224 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 56 LYS H 1 56 LYS HG2 . . 5.500 4.315 2.759 4.951 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 56 LYS H 1 56 LYS HG3 . . 5.500 3.993 3.198 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 56 LYS H 1 57 GLY H . . 5.500 4.381 4.280 4.450 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 56 LYS H 1 59 GLU HB2 . . 5.500 3.629 3.068 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 56 LYS H 1 59 GLU HB3 . . 4.320 2.493 2.007 4.078 . 0 0 "[ . 1 . 2 . 3]" 1
1129 1 56 LYS H 1 59 GLU QG . . 6.380 3.888 3.194 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
1130 1 56 LYS H 1 60 ALA H . . 4.540 3.626 3.106 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 56 LYS H 1 60 ALA MB . . 5.380 3.418 3.138 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 56 LYS HA 1 56 LYS HD2 . . 5.500 4.230 2.340 5.508 0.008 7 0 "[ . 1 . 2 . 3]" 1
1133 1 56 LYS HA 1 56 LYS HD3 . . 5.500 4.006 2.417 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 56 LYS HA 1 57 GLY H . . 3.270 2.381 2.234 2.545 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 56 LYS HA 1 57 GLY HA2 . . 5.500 4.540 4.431 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 56 LYS HA 1 57 GLY HA3 . . 5.500 4.599 4.511 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 56 LYS HA 1 60 ALA H . . 5.070 3.837 3.470 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 56 LYS HA 1 60 ALA MB . . 3.990 2.556 2.196 3.036 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 56 LYS HB2 1 57 GLY H . . 4.040 3.890 2.358 4.089 0.049 22 0 "[ . 1 . 2 . 3]" 1
1140 1 56 LYS HB2 1 57 GLY HA2 . . 7.250 5.631 4.413 6.075 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 56 LYS HB2 1 57 GLY HA3 . . 7.250 4.920 4.254 5.553 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 56 LYS HB3 1 57 GLY H . . 4.040 2.687 2.235 3.787 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 56 LYS HB3 1 57 GLY HA2 . . 7.250 4.454 4.146 5.955 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 56 LYS HB3 1 57 GLY HA3 . . 7.250 4.100 3.845 5.627 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 56 LYS QB 1 57 GLY H . . 3.690 2.601 2.216 2.922 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 56 LYS QB 1 57 GLY QA . . 6.320 3.593 3.441 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
1147 1 56 LYS HG2 1 57 GLY H . . 5.500 3.822 2.071 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
1148 1 56 LYS HG3 1 57 GLY H . . 5.500 4.578 3.533 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
1149 1 56 LYS QD 1 57 GLY H . . 6.380 4.074 2.635 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
1150 1 57 GLY H 1 60 ALA H . . 5.500 4.143 3.958 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
1151 1 57 GLY H 1 60 ALA MB . . 5.190 3.459 3.014 3.942 . 0 0 "[ . 1 . 2 . 3]" 1
1152 1 57 GLY HA2 1 59 GLU H . . 5.500 4.503 4.377 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
1153 1 57 GLY HA2 1 60 ALA H . . 5.500 4.629 4.380 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
1154 1 57 GLY HA3 1 59 GLU H . . 5.500 3.444 3.226 3.626 . 0 0 "[ . 1 . 2 . 3]" 1
1155 1 57 GLY HA3 1 60 ALA H . . 5.500 4.353 4.150 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
1156 1 58 ALA H 1 59 GLU H . . 4.170 2.880 2.774 2.986 . 0 0 "[ . 1 . 2 . 3]" 1
1157 1 58 ALA H 1 60 ALA H . . 5.500 4.545 4.282 4.778 . 0 0 "[ . 1 . 2 . 3]" 1
1158 1 58 ALA H 1 61 GLU H . . 5.500 4.824 4.525 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
1159 1 58 ALA HA 1 60 ALA H . . 5.500 4.210 3.924 4.714 . 0 0 "[ . 1 . 2 . 3]" 1
1160 1 58 ALA HA 1 61 GLU H . . 4.110 3.244 2.925 3.442 . 0 0 "[ . 1 . 2 . 3]" 1
1161 1 58 ALA HA 1 61 GLU HB2 . . 3.520 2.180 2.072 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
1162 1 58 ALA HA 1 61 GLU HB3 . . 3.730 3.732 3.276 3.811 0.081 28 0 "[ . 1 . 2 . 3]" 1
1163 1 58 ALA HA 1 61 GLU HG2 . . 5.500 4.671 3.955 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
1164 1 58 ALA HA 1 61 GLU HG3 . . 5.340 3.623 2.557 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
1165 1 58 ALA MB 1 59 GLU H . . 4.420 2.800 2.562 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
1166 1 58 ALA MB 1 59 GLU HB2 . . 6.000 4.343 3.965 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
1167 1 58 ALA MB 1 60 ALA H . . 6.530 4.688 4.457 4.905 . 0 0 "[ . 1 . 2 . 3]" 1
1168 1 59 GLU H 1 59 GLU HB2 . . 3.830 2.209 1.994 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
1169 1 59 GLU H 1 59 GLU HB3 . . 3.450 2.848 2.485 3.506 0.056 12 0 "[ . 1 . 2 . 3]" 1
1170 1 59 GLU H 1 59 GLU HG2 . . 5.500 4.436 3.775 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
1171 1 59 GLU H 1 59 GLU HG3 . . 5.500 4.040 2.987 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1172 1 59 GLU H 1 59 GLU QG . . 4.870 3.737 2.880 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
1173 1 59 GLU H 1 60 ALA H . . 3.420 2.835 2.609 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
1174 1 59 GLU H 1 60 ALA MB . . 6.030 4.563 4.406 4.838 . 0 0 "[ . 1 . 2 . 3]" 1
1175 1 59 GLU H 1 61 GLU H . . 5.500 4.276 4.113 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
1176 1 59 GLU HA 1 59 GLU HG2 . . 4.170 2.957 2.612 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
1177 1 59 GLU HA 1 59 GLU HG3 . . 4.170 2.440 2.284 2.677 . 0 0 "[ . 1 . 2 . 3]" 1
1178 1 59 GLU HA 1 61 GLU H . . 5.500 4.937 4.736 5.192 . 0 0 "[ . 1 . 2 . 3]" 1
1179 1 59 GLU HA 1 62 ALA H . . 4.790 4.211 3.833 4.472 . 0 0 "[ . 1 . 2 . 3]" 1
1180 1 59 GLU HA 1 62 ALA MB . . 4.640 3.354 2.771 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
1181 1 59 GLU HA 1 63 VAL H . . 5.340 4.314 3.719 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
1182 1 59 GLU HB2 1 59 GLU QG . . 2.740 2.368 2.314 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
1183 1 59 GLU HB2 1 60 ALA H . . 4.760 3.532 2.436 4.015 . 0 0 "[ . 1 . 2 . 3]" 1
1184 1 59 GLU HB3 1 59 GLU QG . . 2.740 2.318 2.134 2.388 . 0 0 "[ . 1 . 2 . 3]" 1
1185 1 59 GLU HB3 1 60 ALA H . . 3.760 2.622 2.142 3.312 . 0 0 "[ . 1 . 2 . 3]" 1
1186 1 59 GLU HB3 1 60 ALA HA . . 5.500 4.221 3.789 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
1187 1 59 GLU HG2 1 60 ALA H . . 5.500 4.261 3.475 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
1188 1 59 GLU HG2 1 63 VAL MG2 . . 5.690 3.806 3.068 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
1189 1 59 GLU HG3 1 60 ALA H . . 5.500 4.893 4.490 5.285 . 0 0 "[ . 1 . 2 . 3]" 1
1190 1 59 GLU HG3 1 63 VAL MG2 . . 5.690 4.416 3.371 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
1191 1 59 GLU QG 1 60 ALA H . . 5.110 3.995 3.373 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
1192 1 59 GLU QG 1 63 VAL MG2 . . 5.510 3.569 2.879 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
1193 1 60 ALA H 1 61 GLU H . . 3.550 2.548 2.339 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
1194 1 60 ALA H 1 62 ALA H . . 5.500 4.251 3.953 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
1195 1 60 ALA HA 1 63 VAL H . . 4.720 3.674 3.502 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
1196 1 60 ALA HA 1 63 VAL HB . . 3.830 2.677 2.416 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
1197 1 60 ALA HA 1 63 VAL MG1 . . 6.530 3.961 3.676 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
1198 1 60 ALA MB 1 61 GLU H . . 4.080 2.447 2.264 2.544 . 0 0 "[ . 1 . 2 . 3]" 1
1199 1 60 ALA MB 1 61 GLU HA . . 6.470 3.842 3.726 3.997 . 0 0 "[ . 1 . 2 . 3]" 1
1200 1 60 ALA MB 1 61 GLU HG2 . . 6.530 4.449 3.447 5.252 . 0 0 "[ . 1 . 2 . 3]" 1
1201 1 60 ALA MB 1 61 GLU HG3 . . 5.720 3.475 3.029 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
1202 1 60 ALA MB 1 63 VAL H . . 6.530 4.754 4.660 4.891 . 0 0 "[ . 1 . 2 . 3]" 1
1203 1 61 GLU H 1 61 GLU HB2 . . 3.580 2.418 2.138 2.715 . 0 0 "[ . 1 . 2 . 3]" 1
1204 1 61 GLU H 1 61 GLU HB3 . . 3.730 3.551 3.440 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
1205 1 61 GLU H 1 61 GLU HG2 . . 4.010 3.506 2.645 4.040 0.030 16 0 "[ . 1 . 2 . 3]" 1
1206 1 61 GLU H 1 61 GLU HG3 . . 3.420 2.394 1.993 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
1207 1 61 GLU H 1 62 ALA H . . 4.110 2.931 2.823 3.063 . 0 0 "[ . 1 . 2 . 3]" 1
1208 1 61 GLU HA 1 61 GLU HG2 . . 3.730 2.522 2.279 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
1209 1 61 GLU HA 1 61 GLU HG3 . . 4.140 2.956 2.695 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
1210 1 61 GLU HA 1 64 ALA H . . 4.820 3.719 3.559 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
1211 1 61 GLU HB2 1 62 ALA H . . 4.110 2.534 2.343 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1212 1 61 GLU HB3 1 62 ALA H . . 4.350 3.330 2.795 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
1213 1 61 GLU HG3 1 62 ALA H . . 5.500 4.495 4.117 4.918 . 0 0 "[ . 1 . 2 . 3]" 1
1214 1 62 ALA H 1 63 VAL H . . 5.500 2.767 2.673 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
1215 1 62 ALA HA 1 65 ALA H . . 4.480 3.659 3.418 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
1216 1 62 ALA HA 1 65 ALA MB . . 4.360 2.737 2.502 2.865 . 0 0 "[ . 1 . 2 . 3]" 1
1217 1 62 ALA MB 1 63 VAL MG2 . . 7.150 3.160 3.060 3.314 . 0 0 "[ . 1 . 2 . 3]" 1
1218 1 63 VAL H 1 63 VAL HB . . 3.330 2.409 2.342 2.536 . 0 0 "[ . 1 . 2 . 3]" 1
1219 1 63 VAL H 1 63 VAL MG2 . . 3.950 2.278 2.214 2.386 . 0 0 "[ . 1 . 2 . 3]" 1
1220 1 63 VAL H 1 64 ALA H . . 3.830 2.877 2.773 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
1221 1 63 VAL HA 1 66 TRP H . . 4.200 3.653 3.523 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
1222 1 63 VAL HA 1 66 TRP HE3 . . 5.500 2.972 2.713 3.353 . 0 0 "[ . 1 . 2 . 3]" 1
1223 1 63 VAL HA 1 67 LEU H . . 4.540 3.820 3.637 3.976 . 0 0 "[ . 1 . 2 . 3]" 1
1224 1 63 VAL HB 1 64 ALA H . . 3.550 2.471 2.270 2.600 . 0 0 "[ . 1 . 2 . 3]" 1
1225 1 63 VAL MG1 1 64 ALA H . . 5.500 3.000 2.894 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
1226 1 63 VAL MG1 1 64 ALA HA . . 5.630 3.296 3.139 3.408 . 0 0 "[ . 1 . 2 . 3]" 1
1227 1 63 VAL MG1 1 66 TRP HE3 . . 5.540 2.920 2.523 3.296 . 0 0 "[ . 1 . 2 . 3]" 1
1228 1 63 VAL MG1 1 66 TRP HZ3 . . 6.530 3.718 3.428 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
1229 1 63 VAL MG1 1 67 LEU H . . 6.250 3.896 3.724 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
1230 1 63 VAL MG1 1 67 LEU HB2 . . 5.940 3.594 3.168 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
1231 1 63 VAL MG1 1 67 LEU QD . . 9.130 2.443 2.012 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
1232 1 63 VAL MG2 1 64 ALA H . . 5.910 3.917 3.792 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
1233 1 64 ALA H 1 65 ALA H . . 3.860 2.982 2.915 3.124 . 0 0 "[ . 1 . 2 . 3]" 1
1234 1 64 ALA H 1 66 TRP H . . 5.500 4.391 4.250 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
1235 1 64 ALA HA 1 66 TRP H . . 5.500 4.681 4.465 4.857 . 0 0 "[ . 1 . 2 . 3]" 1
1236 1 64 ALA HA 1 67 LEU H . . 4.600 3.671 3.511 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
1237 1 64 ALA HA 1 67 LEU HB2 . . 4.290 2.722 2.465 3.206 . 0 0 "[ . 1 . 2 . 3]" 1
1238 1 64 ALA HA 1 67 LEU HB3 . . 4.690 4.091 3.927 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
1239 1 64 ALA HA 1 67 LEU QD . . 7.380 3.939 3.360 4.209 . 0 0 "[ . 1 . 2 . 3]" 1
1240 1 64 ALA HA 1 68 ALA H . . 5.160 4.071 3.998 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
1241 1 64 ALA MB 1 65 ALA H . . 4.300 2.360 2.253 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
1242 1 65 ALA H 1 65 ALA MB . . 3.610 2.225 2.156 2.251 . 0 0 "[ . 1 . 2 . 3]" 1
1243 1 65 ALA H 1 66 TRP H . . 5.500 2.766 2.690 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
1244 1 65 ALA H 1 66 TRP HB2 . . 5.500 5.116 5.049 5.202 . 0 0 "[ . 1 . 2 . 3]" 1
1245 1 65 ALA H 1 66 TRP HB3 . . 5.500 4.717 4.567 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
1246 1 65 ALA H 1 67 LEU H . . 5.310 4.244 4.088 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
1247 1 65 ALA HA 1 68 ALA H . . 4.600 3.281 3.022 3.445 . 0 0 "[ . 1 . 2 . 3]" 1
1248 1 65 ALA MB 1 66 TRP H . . 4.260 2.497 2.375 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
1249 1 65 ALA MB 1 66 TRP HB2 . . 6.280 4.017 3.932 4.123 . 0 0 "[ . 1 . 2 . 3]" 1
1250 1 65 ALA MB 1 66 TRP HB3 . . 6.280 4.463 4.366 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
1251 1 65 ALA MB 1 66 TRP QB . . 6.140 3.741 3.665 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
1252 1 66 TRP H 1 66 TRP HB2 . . 3.520 2.475 2.381 2.552 . 0 0 "[ . 1 . 2 . 3]" 1
1253 1 66 TRP H 1 66 TRP HB3 . . 3.520 2.325 2.245 2.403 . 0 0 "[ . 1 . 2 . 3]" 1
1254 1 66 TRP H 1 66 TRP HD1 . . 5.500 4.934 4.855 5.023 . 0 0 "[ . 1 . 2 . 3]" 1
1255 1 66 TRP H 1 66 TRP HE3 . . 5.500 4.594 4.405 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
1256 1 66 TRP H 1 67 LEU H . . 3.730 2.755 2.676 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
1257 1 66 TRP H 1 68 ALA H . . 5.500 4.005 3.866 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
1258 1 66 TRP HA 1 66 TRP HD1 . . 4.540 2.923 2.805 3.145 . 0 0 "[ . 1 . 2 . 3]" 1
1259 1 66 TRP HA 1 66 TRP HE3 . . 5.500 4.984 4.756 5.105 . 0 0 "[ . 1 . 2 . 3]" 1
1260 1 66 TRP HA 1 66 TRP HE1 . . 5.500 5.168 5.044 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
1261 1 66 TRP HA 1 68 ALA H . . 5.500 4.358 4.171 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
1262 1 66 TRP HB2 1 67 LEU H . . 3.980 3.863 3.772 3.922 . 0 0 "[ . 1 . 2 . 3]" 1
1263 1 66 TRP HB3 1 67 LEU H . . 3.980 2.483 2.348 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
1264 1 66 TRP QB 1 66 TRP HZ3 . . 5.920 4.740 4.686 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
1265 1 66 TRP QB 1 67 LEU HA . . 6.380 4.377 4.307 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
1266 1 66 TRP HD1 1 67 LEU H . . 5.500 5.519 5.439 5.561 0.061 1 0 "[ . 1 . 2 . 3]" 1
1267 1 66 TRP HE3 1 67 LEU H . . 4.690 3.254 2.706 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
1268 1 66 TRP HE3 1 67 LEU HA . . 4.970 4.106 3.287 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
1269 1 66 TRP HE3 1 67 LEU HB2 . . 5.040 4.311 3.354 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
1270 1 66 TRP HE3 1 67 LEU HB3 . . 5.500 5.307 4.669 5.594 0.094 24 0 "[ . 1 . 2 . 3]" 1
1271 1 66 TRP HE3 1 67 LEU HG . . 3.760 3.477 2.718 3.872 0.112 4 0 "[ . 1 . 2 . 3]" 1
1272 1 66 TRP HE3 1 67 LEU MD1 . . 5.600 3.540 2.117 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
1273 1 66 TRP HE3 1 67 LEU MD2 . . 5.600 2.929 1.907 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
1274 1 66 TRP HE3 1 67 LEU QD . . 5.000 2.039 1.905 2.204 . 0 0 "[ . 1 . 2 . 3]" 1
1275 1 66 TRP HE3 1 70 LYS QD . . 6.380 4.468 3.481 5.499 . 0 0 "[ . 1 . 2 . 3]" 1
1276 1 66 TRP HE1 1 70 LYS QG . . 6.380 4.413 4.023 5.695 . 0 0 "[ . 1 . 2 . 3]" 1
1277 1 66 TRP HE1 1 70 LYS QD . . 6.380 3.947 3.242 5.717 . 0 0 "[ . 1 . 2 . 3]" 1
1278 1 66 TRP HZ3 1 67 LEU HA . . 5.500 5.065 4.257 5.434 . 0 0 "[ . 1 . 2 . 3]" 1
1279 1 66 TRP HZ3 1 67 LEU MD1 . . 5.130 3.393 2.197 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
1280 1 66 TRP HZ3 1 67 LEU MD2 . . 5.130 2.874 2.152 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
1281 1 66 TRP HZ3 1 67 LEU QD . . 4.630 2.269 2.144 2.461 . 0 0 "[ . 1 . 2 . 3]" 1
1282 1 66 TRP HZ3 1 70 LYS QD . . 6.380 4.058 3.048 5.264 . 0 0 "[ . 1 . 2 . 3]" 1
1283 1 66 TRP HZ3 1 70 LYS QE . . 6.380 4.740 2.873 5.664 . 0 0 "[ . 1 . 2 . 3]" 1
1284 1 66 TRP HZ2 1 70 LYS QD . . 6.380 3.196 2.780 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
1285 1 66 TRP HZ2 1 70 LYS QE . . 6.380 3.477 2.418 4.567 . 0 0 "[ . 1 . 2 . 3]" 1
1286 1 66 TRP HH2 1 67 LEU MD1 . . 6.530 5.079 4.158 5.504 . 0 0 "[ . 1 . 2 . 3]" 1
1287 1 66 TRP HH2 1 67 LEU MD2 . . 6.530 4.473 3.822 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
1288 1 66 TRP HH2 1 70 LYS QD . . 6.380 3.619 2.987 4.441 . 0 0 "[ . 1 . 2 . 3]" 1
1289 1 66 TRP HH2 1 70 LYS QE . . 6.190 3.726 2.708 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
1290 1 67 LEU H 1 67 LEU HB2 . . 3.420 2.275 2.182 2.404 . 0 0 "[ . 1 . 2 . 3]" 1
1291 1 67 LEU H 1 67 LEU HB3 . . 3.890 3.533 3.405 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
1292 1 67 LEU H 1 67 LEU HG . . 4.170 3.479 3.301 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
1293 1 67 LEU H 1 68 ALA H . . 3.760 2.749 2.620 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
1294 1 67 LEU H 1 68 ALA MB . . 5.970 4.432 4.240 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
1295 1 67 LEU H 1 69 GLU H . . 5.500 4.192 4.065 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
1296 1 67 LEU HA 1 67 LEU MD1 . . 4.730 3.109 2.793 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
1297 1 67 LEU HA 1 67 LEU MD2 . . 4.730 2.434 2.034 3.068 . 0 0 "[ . 1 . 2 . 3]" 1
1298 1 67 LEU HA 1 67 LEU QD . . 4.140 2.338 1.990 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
1299 1 67 LEU HA 1 69 GLU H . . 5.190 4.095 3.652 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
1300 1 67 LEU HA 1 70 LYS H . . 4.480 2.878 2.431 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
1301 1 67 LEU HA 1 70 LYS HB2 . . 4.820 2.294 2.044 2.797 . 0 0 "[ . 1 . 2 . 3]" 1
1302 1 67 LEU HA 1 70 LYS HB3 . . 4.820 3.913 2.194 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
1303 1 67 LEU HA 1 70 LYS QB . . 4.660 2.273 1.933 2.767 . 0 0 "[ . 1 . 2 . 3]" 1
1304 1 67 LEU HA 1 70 LYS HG2 . . 4.350 4.122 3.449 4.393 0.043 24 0 "[ . 1 . 2 . 3]" 1
1305 1 67 LEU HA 1 70 LYS HG3 . . 4.350 2.706 2.301 4.430 0.080 16 0 "[ . 1 . 2 . 3]" 1
1306 1 67 LEU HA 1 70 LYS QG . . 4.090 2.640 2.285 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
1307 1 67 LEU HA 1 70 LYS QD . . 6.380 3.751 2.997 4.646 . 0 0 "[ . 1 . 2 . 3]" 1
1308 1 67 LEU HA 1 70 LYS QE . . 6.380 4.742 3.366 5.390 . 0 0 "[ . 1 . 2 . 3]" 1
1309 1 67 LEU HB2 1 68 ALA H . . 4.260 3.102 2.838 3.396 . 0 0 "[ . 1 . 2 . 3]" 1
1310 1 67 LEU HB3 1 68 ALA H . . 4.380 3.537 3.349 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
1311 1 67 LEU MD1 1 70 LYS H . . 6.530 5.295 4.803 5.515 . 0 0 "[ . 1 . 2 . 3]" 1
1312 1 67 LEU MD1 1 70 LYS HB2 . . 6.530 3.955 3.058 4.535 . 0 0 "[ . 1 . 2 . 3]" 1
1313 1 67 LEU MD1 1 70 LYS HB3 . . 6.530 4.924 3.523 5.522 . 0 0 "[ . 1 . 2 . 3]" 1
1314 1 67 LEU MD2 1 70 LYS H . . 6.530 4.550 4.242 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
1315 1 67 LEU MD2 1 70 LYS HB2 . . 6.530 3.120 2.826 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
1316 1 67 LEU MD2 1 70 LYS HB3 . . 6.530 4.052 3.113 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
1317 1 67 LEU QD 1 68 ALA H . . 8.100 4.218 4.054 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
1318 1 67 LEU QD 1 70 LYS QB . . 6.240 2.868 2.565 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
1319 1 67 LEU QD 1 70 LYS QG . . 7.580 3.342 2.664 4.229 . 0 0 "[ . 1 . 2 . 3]" 1
1320 1 67 LEU QD 1 70 LYS QD . . 8.790 3.232 2.264 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
1321 1 67 LEU QD 1 70 LYS QE . . 8.980 3.899 2.277 4.983 . 0 0 "[ . 1 . 2 . 3]" 1
1322 1 68 ALA H 1 69 GLU H . . 4.010 2.753 2.610 2.849 . 0 0 "[ . 1 . 2 . 3]" 1
1323 1 68 ALA H 1 70 LYS H . . 5.500 4.049 3.827 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
1324 1 68 ALA HA 1 70 LYS H . . 5.280 4.147 3.643 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
1325 1 68 ALA MB 1 69 GLU HA . . 4.980 4.042 3.887 4.162 . 0 0 "[ . 1 . 2 . 3]" 1
1326 1 68 ALA MB 1 69 GLU QG . . 6.820 4.255 2.780 5.078 . 0 0 "[ . 1 . 2 . 3]" 1
1327 1 68 ALA MB 1 70 LYS H . . 6.530 4.500 4.282 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
1328 1 69 GLU H 1 69 GLU HB2 . . 4.140 2.494 2.107 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
1329 1 69 GLU H 1 69 GLU HB3 . . 4.140 3.182 2.222 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
1330 1 69 GLU H 1 69 GLU QB . . 3.740 2.291 2.086 2.815 . 0 0 "[ . 1 . 2 . 3]" 1
1331 1 69 GLU H 1 69 GLU HG2 . . 5.070 3.894 2.483 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
1332 1 69 GLU H 1 69 GLU HG3 . . 5.070 3.704 2.512 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
1333 1 69 GLU H 1 69 GLU QG . . 4.930 3.285 2.385 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
1334 1 69 GLU H 1 70 LYS H . . 3.580 2.731 2.370 3.161 . 0 0 "[ . 1 . 2 . 3]" 1
1335 1 69 GLU HA 1 71 LYS QE . . 5.200 3.545 2.484 4.464 . 0 0 "[ . 1 . 2 . 3]" 1
1336 1 69 GLU HB2 1 70 LYS H . . 5.380 3.769 2.848 4.643 . 0 0 "[ . 1 . 2 . 3]" 1
1337 1 69 GLU HB3 1 70 LYS H . . 5.380 3.704 2.806 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
1338 1 70 LYS H 1 70 LYS HB2 . . 3.790 2.575 2.179 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
1339 1 70 LYS H 1 70 LYS HB3 . . 3.790 3.644 2.775 3.806 0.016 22 0 "[ . 1 . 2 . 3]" 1
1340 1 70 LYS H 1 70 LYS QB . . 3.610 2.524 2.104 2.726 . 0 0 "[ . 1 . 2 . 3]" 1
1341 1 70 LYS H 1 70 LYS HG2 . . 4.600 3.307 2.640 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
1342 1 70 LYS H 1 70 LYS HG3 . . 4.600 2.895 2.289 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
1343 1 70 LYS H 1 70 LYS QG . . 4.440 2.681 2.241 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
1344 1 70 LYS HA 1 70 LYS QG . . 3.920 2.318 2.199 2.548 . 0 0 "[ . 1 . 2 . 3]" 1
1345 1 70 LYS HB2 1 71 LYS H . . 5.500 4.306 3.769 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
1346 1 70 LYS HB3 1 71 LYS H . . 5.500 3.390 2.583 4.129 . 0 0 "[ . 1 . 2 . 3]" 1
1347 1 70 LYS QB 1 71 LYS H . . 5.070 3.264 2.541 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
1348 1 71 LYS H 1 71 LYS QB . . 3.920 2.842 2.491 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
1349 1 71 LYS H 1 71 LYS HG2 . . 4.600 3.967 2.306 4.718 0.118 30 0 "[ . 1 . 2 . 3]" 1
1350 1 71 LYS H 1 71 LYS HG3 . . 4.600 3.538 2.848 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
1351 1 71 LYS HA 1 71 LYS HG2 . . 3.980 2.976 2.278 3.828 . 0 0 "[ . 1 . 2 . 3]" 1
1352 1 71 LYS HA 1 71 LYS HG3 . . 3.980 3.143 2.417 4.025 0.045 19 0 "[ . 1 . 2 . 3]" 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 10
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 4.333
_Distance_constraint_stats_list.Viol_max 0.144
_Distance_constraint_stats_list.Viol_rms 0.0083
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.1444
_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 11 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 25 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 47 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 50 MET 0.144 0.144 19 0 "[ . 1 . 2 . 3]"
1 51 PRO 0.144 0.144 19 0 "[ . 1 . 2 . 3]"
1 54 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 14 CYS HB2 1 15 HIS HD2 . . 5.500 3.538 3.307 3.884 . 0 0 "[ . 1 . 2 . 3]" 2
2 1 11 CYS HB3 1 15 HIS HD2 . . 3.000 2.606 2.436 2.849 . 0 0 "[ . 1 . 2 . 3]" 2
3 1 15 HIS HE1 1 25 PRO HD3 . . 5.500 4.409 4.236 4.556 . 0 0 "[ . 1 . 2 . 3]" 2
4 1 47 GLN HB3 1 50 MET HB3 . . 5.500 3.163 2.904 4.492 . 0 0 "[ . 1 . 2 . 3]" 2
5 1 46 GLY HA2 1 50 MET HB3 . . 5.500 3.377 2.699 3.560 . 0 0 "[ . 1 . 2 . 3]" 2
6 1 50 MET HA 1 50 MET HG3 . . 3.000 2.387 2.208 2.443 . 0 0 "[ . 1 . 2 . 3]" 2
7 1 46 GLY HA2 1 50 MET HG3 . . 5.500 4.487 4.273 4.996 . 0 0 "[ . 1 . 2 . 3]" 2
8 1 50 MET HG3 1 51 PRO HD3 . . 5.500 3.900 3.557 4.144 . 0 0 "[ . 1 . 2 . 3]" 2
9 1 50 MET HG3 1 51 PRO HD2 . . 3.000 2.639 2.314 3.144 0.144 19 0 "[ . 1 . 2 . 3]" 2
10 1 50 MET HG3 1 54 ILE MD . . 6.500 3.057 2.360 4.902 . 0 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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