NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507672 |
2en2   |
10231 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2en2
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 12
_Distance_constraint_stats_list.Viol_count 136
_Distance_constraint_stats_list.Viol_total 10.029
_Distance_constraint_stats_list.Viol_max 0.009
_Distance_constraint_stats_list.Viol_rms 0.0024
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0037
_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 14 CYS 0.207 0.008 15 0 "[ . 1 . 2]"
1 17 CYS 0.126 0.007 15 0 "[ . 1 . 2]"
1 30 HIS 0.110 0.008 15 0 "[ . 1 . 2]"
1 34 HIS 0.220 0.009 11 0 "[ . 1 . 2]"
2 1 ZN 0.340 0.009 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 14 CYS SG 2 1 ZN ZN . 2.330 2.370 2.325 2.322 2.328 0.008 15 0 "[ . 1 . 2]" 1
2 1 17 CYS SG 2 1 ZN ZN . 2.330 2.370 2.329 2.323 2.366 0.007 15 0 "[ . 1 . 2]" 1
3 1 30 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.326 2.322 2.329 0.008 15 0 "[ . 1 . 2]" 1
4 1 34 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.326 2.321 2.329 0.009 11 0 "[ . 1 . 2]" 1
5 1 14 CYS CB 2 1 ZN ZN . 3.250 3.510 3.423 3.325 3.491 . 0 0 "[ . 1 . 2]" 1
6 1 17 CYS CB 2 1 ZN ZN . 3.250 3.510 3.269 3.246 3.336 0.004 18 0 "[ . 1 . 2]" 1
7 1 14 CYS SG 1 17 CYS SG . 3.200 4.000 3.537 3.318 3.873 . 0 0 "[ . 1 . 2]" 1
8 1 14 CYS SG 1 30 HIS NE2 . 3.200 4.000 3.993 3.930 4.004 0.004 7 0 "[ . 1 . 2]" 1
9 1 14 CYS SG 1 34 HIS NE2 . 3.200 4.000 4.004 4.002 4.008 0.008 4 0 "[ . 1 . 2]" 1
10 1 17 CYS SG 1 30 HIS NE2 . 3.200 4.000 3.623 3.455 3.735 . 0 0 "[ . 1 . 2]" 1
11 1 17 CYS SG 1 34 HIS NE2 . 3.200 4.000 4.002 3.998 4.004 0.004 7 0 "[ . 1 . 2]" 1
12 1 30 HIS NE2 1 34 HIS NE2 . 3.200 4.000 3.540 3.407 3.680 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 995
_Distance_constraint_stats_list.Viol_count 980
_Distance_constraint_stats_list.Viol_total 298.549
_Distance_constraint_stats_list.Viol_max 0.080
_Distance_constraint_stats_list.Viol_rms 0.0049
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0152
_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 8 GLY 0.016 0.015 10 0 "[ . 1 . 2]"
1 9 GLU 0.179 0.063 18 0 "[ . 1 . 2]"
1 10 LYS 0.237 0.063 18 0 "[ . 1 . 2]"
1 11 PRO 0.055 0.011 3 0 "[ . 1 . 2]"
1 12 TYR 0.635 0.023 13 0 "[ . 1 . 2]"
1 13 LYS 1.318 0.038 19 0 "[ . 1 . 2]"
1 14 CYS 0.785 0.047 6 0 "[ . 1 . 2]"
1 15 GLU 0.247 0.019 13 0 "[ . 1 . 2]"
1 16 THR 1.249 0.036 4 0 "[ . 1 . 2]"
1 17 CYS 0.433 0.025 20 0 "[ . 1 . 2]"
1 18 GLY 1.374 0.038 19 0 "[ . 1 . 2]"
1 19 ALA 0.525 0.021 15 0 "[ . 1 . 2]"
1 20 ARG 1.347 0.047 6 0 "[ . 1 . 2]"
1 21 PHE 2.308 0.049 15 0 "[ . 1 . 2]"
1 22 VAL 0.556 0.049 15 0 "[ . 1 . 2]"
1 23 GLN 0.281 0.017 1 0 "[ . 1 . 2]"
1 24 VAL 0.774 0.028 14 0 "[ . 1 . 2]"
1 25 ALA 0.526 0.029 8 0 "[ . 1 . 2]"
1 26 HIS 0.731 0.029 15 0 "[ . 1 . 2]"
1 27 LEU 0.733 0.018 4 0 "[ . 1 . 2]"
1 28 ARG 1.241 0.029 8 0 "[ . 1 . 2]"
1 29 ALA 1.788 0.066 1 0 "[ . 1 . 2]"
1 30 HIS 4.131 0.080 12 0 "[ . 1 . 2]"
1 31 VAL 2.693 0.080 12 0 "[ . 1 . 2]"
1 32 LEU 0.273 0.027 11 0 "[ . 1 . 2]"
1 33 ILE 2.630 0.065 6 0 "[ . 1 . 2]"
1 34 HIS 2.266 0.065 6 0 "[ . 1 . 2]"
1 35 THR 0.085 0.011 6 0 "[ . 1 . 2]"
1 36 GLY 0.027 0.008 18 0 "[ . 1 . 2]"
1 37 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLY 0.085 0.048 11 0 "[ . 1 . 2]"
1 39 PRO 0.085 0.048 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 23 GLN H 1 25 ALA H . . 5.500 5.344 5.308 5.399 . 0 0 "[ . 1 . 2]" 2
2 1 23 GLN HG2 1 25 ALA H . . 5.500 5.500 5.460 5.507 0.007 15 0 "[ . 1 . 2]" 2
3 1 23 GLN HG3 1 25 ALA H . . 5.480 5.226 5.172 5.299 . 0 0 "[ . 1 . 2]" 2
4 1 23 GLN HB3 1 25 ALA H . . 3.560 2.700 2.667 2.763 . 0 0 "[ . 1 . 2]" 2
5 1 25 ALA H 1 28 ARG HB3 . . 5.500 5.379 5.359 5.412 . 0 0 "[ . 1 . 2]" 2
6 1 25 ALA H 1 25 ALA MB . . 2.870 2.062 2.029 2.171 . 0 0 "[ . 1 . 2]" 2
7 1 23 GLN HB2 1 25 ALA H . . 4.280 4.173 4.120 4.282 0.002 17 0 "[ . 1 . 2]" 2
8 1 24 VAL MG2 1 25 ALA H . . 4.340 3.978 3.947 3.994 . 0 0 "[ . 1 . 2]" 2
9 1 24 VAL MG1 1 27 LEU H . . 4.900 4.826 4.801 4.863 . 0 0 "[ . 1 . 2]" 2
10 1 25 ALA H 1 27 LEU H . . 4.670 4.546 4.509 4.575 . 0 0 "[ . 1 . 2]" 2
11 1 27 LEU H 1 30 HIS H . . 4.950 4.773 4.748 4.798 . 0 0 "[ . 1 . 2]" 2
12 1 21 PHE QD 1 27 LEU H . . 4.300 3.765 3.739 3.799 . 0 0 "[ . 1 . 2]" 2
13 1 12 TYR QD 1 27 LEU H . . 5.140 4.993 4.985 5.002 . 0 0 "[ . 1 . 2]" 2
14 1 25 ALA HA 1 27 LEU H . . 5.150 4.927 4.889 4.956 . 0 0 "[ . 1 . 2]" 2
15 1 26 HIS HB2 1 27 LEU H . . 3.390 2.359 2.334 2.392 . 0 0 "[ . 1 . 2]" 2
16 1 12 TYR HB2 1 27 LEU H . . 4.730 4.337 4.285 4.379 . 0 0 "[ . 1 . 2]" 2
17 1 27 LEU H 1 27 LEU HB3 . . 2.980 2.280 2.272 2.289 . 0 0 "[ . 1 . 2]" 2
18 1 27 LEU H 1 28 ARG HG2 . . 4.350 4.334 4.306 4.356 0.006 9 0 "[ . 1 . 2]" 2
19 1 27 LEU H 1 27 LEU HG . . 4.410 4.304 4.294 4.314 . 0 0 "[ . 1 . 2]" 2
20 1 27 LEU H 1 29 ALA MB . . 4.730 4.585 4.535 4.630 . 0 0 "[ . 1 . 2]" 2
21 1 25 ALA MB 1 27 LEU H . . 5.080 4.868 4.849 4.890 . 0 0 "[ . 1 . 2]" 2
22 1 27 LEU H 1 27 LEU HB2 . . 3.130 2.751 2.738 2.761 . 0 0 "[ . 1 . 2]" 2
23 1 27 LEU H 1 27 LEU MD2 . . 4.290 4.215 4.200 4.227 . 0 0 "[ . 1 . 2]" 2
24 1 23 GLN HB2 1 27 LEU H . . 5.500 5.378 5.353 5.421 . 0 0 "[ . 1 . 2]" 2
25 1 24 VAL MG2 1 27 LEU H . . 4.450 4.265 4.224 4.368 . 0 0 "[ . 1 . 2]" 2
26 1 22 VAL H 1 23 GLN H . . 3.130 2.438 2.416 2.465 . 0 0 "[ . 1 . 2]" 2
27 1 21 PHE H 1 23 GLN H . . 5.500 5.501 5.480 5.514 0.014 4 0 "[ . 1 . 2]" 2
28 1 23 GLN H 1 26 HIS HB2 . . 3.650 3.401 3.381 3.426 . 0 0 "[ . 1 . 2]" 2
29 1 21 PHE HB2 1 23 GLN H . . 3.730 3.490 3.468 3.509 . 0 0 "[ . 1 . 2]" 2
30 1 22 VAL HB 1 23 GLN H . . 4.080 4.080 4.050 4.097 0.017 1 0 "[ . 1 . 2]" 2
31 1 23 GLN H 1 23 GLN HB3 . . 3.840 3.616 3.598 3.628 . 0 0 "[ . 1 . 2]" 2
32 1 22 VAL MG2 1 23 GLN H . . 3.570 3.274 3.251 3.333 . 0 0 "[ . 1 . 2]" 2
33 1 21 PHE HB3 1 23 GLN H . . 3.370 3.050 3.038 3.066 . 0 0 "[ . 1 . 2]" 2
34 1 23 GLN H 1 26 HIS HB3 . . 4.830 4.720 4.691 4.759 . 0 0 "[ . 1 . 2]" 2
35 1 12 TYR HB2 1 23 GLN H . . 5.020 4.762 4.737 4.789 . 0 0 "[ . 1 . 2]" 2
36 1 23 GLN H 1 23 GLN HG3 . . 4.300 4.265 4.214 4.304 0.004 13 0 "[ . 1 . 2]" 2
37 1 23 GLN H 1 23 GLN HB2 . . 3.280 2.467 2.460 2.474 . 0 0 "[ . 1 . 2]" 2
38 1 23 GLN H 1 26 HIS HE1 . . 4.770 3.899 3.804 3.969 . 0 0 "[ . 1 . 2]" 2
39 1 9 GLU HG2 1 10 LYS H . . 5.500 5.266 4.888 5.563 0.063 18 0 "[ . 1 . 2]" 2
40 1 9 GLU HG3 1 10 LYS H . . 5.500 4.734 4.596 4.859 . 0 0 "[ . 1 . 2]" 2
41 1 10 LYS H 1 20 ARG HB3 . . 5.200 5.113 4.957 5.211 0.011 12 0 "[ . 1 . 2]" 2
42 1 9 GLU HA 1 10 LYS H . . 3.130 2.151 2.137 2.192 . 0 0 "[ . 1 . 2]" 2
43 1 10 LYS H 1 20 ARG QD . . 5.100 4.678 4.321 5.106 0.006 13 0 "[ . 1 . 2]" 2
44 1 9 GLU QB 1 10 LYS H . . 4.060 3.454 3.245 3.635 . 0 0 "[ . 1 . 2]" 2
45 1 10 LYS H 1 10 LYS HB2 . . 3.770 2.993 2.948 3.058 . 0 0 "[ . 1 . 2]" 2
46 1 10 LYS H 1 10 LYS HG3 . . 3.660 3.273 3.162 3.340 . 0 0 "[ . 1 . 2]" 2
47 1 10 LYS H 1 10 LYS HG2 . . 4.390 4.082 3.979 4.188 . 0 0 "[ . 1 . 2]" 2
48 1 14 CYS H 1 18 GLY H . . 4.380 4.218 4.188 4.252 . 0 0 "[ . 1 . 2]" 2
49 1 16 THR H 1 18 GLY H . . 4.020 4.039 4.028 4.049 0.029 15 0 "[ . 1 . 2]" 2
50 1 17 CYS H 1 18 GLY H . . 2.840 1.921 1.904 1.950 . 0 0 "[ . 1 . 2]" 2
51 1 18 GLY H 1 19 ALA H . . 3.030 1.887 1.866 1.905 . 0 0 "[ . 1 . 2]" 2
52 1 14 CYS HA 1 18 GLY H . . 4.780 4.526 4.510 4.553 . 0 0 "[ . 1 . 2]" 2
53 1 18 GLY H 1 19 ALA HA . . 4.710 4.596 4.575 4.613 . 0 0 "[ . 1 . 2]" 2
54 1 10 LYS H 1 11 PRO QD . . 4.420 3.659 3.569 3.794 . 0 0 "[ . 1 . 2]" 2
55 1 18 GLY H 1 18 GLY HA2 . . 2.770 2.491 2.483 2.501 . 0 0 "[ . 1 . 2]" 2
56 1 14 CYS HB3 1 18 GLY H . . 3.430 2.739 2.604 2.838 . 0 0 "[ . 1 . 2]" 2
57 1 17 CYS HB3 1 18 GLY H . . 4.260 3.824 3.804 3.846 . 0 0 "[ . 1 . 2]" 2
58 1 18 GLY H 1 19 ALA MB . . 4.170 3.616 3.521 3.679 . 0 0 "[ . 1 . 2]" 2
59 1 16 THR MG 1 18 GLY H . . 5.030 4.886 4.857 4.909 . 0 0 "[ . 1 . 2]" 2
60 1 8 GLY QA 1 9 GLU H . . 3.540 2.286 2.110 2.694 . 0 0 "[ . 1 . 2]" 2
61 1 9 GLU H 1 9 GLU HG2 . . 4.530 2.321 1.900 4.184 . 0 0 "[ . 1 . 2]" 2
62 1 9 GLU H 1 9 GLU QB . . 3.680 3.023 2.558 3.379 . 0 0 "[ . 1 . 2]" 2
63 1 31 VAL H 1 32 LEU H . . 3.170 2.626 2.614 2.645 . 0 0 "[ . 1 . 2]" 2
64 1 28 ARG HA 1 31 VAL H . . 4.000 3.537 3.521 3.554 . 0 0 "[ . 1 . 2]" 2
65 1 30 HIS HB3 1 31 VAL H . . 3.170 2.960 2.938 2.978 . 0 0 "[ . 1 . 2]" 2
66 1 30 HIS HB2 1 31 VAL H . . 4.230 4.178 4.165 4.189 . 0 0 "[ . 1 . 2]" 2
67 1 31 VAL H 1 32 LEU HG . . 4.370 3.827 3.797 3.859 . 0 0 "[ . 1 . 2]" 2
68 1 31 VAL H 1 32 LEU HB2 . . 5.280 5.060 5.028 5.077 . 0 0 "[ . 1 . 2]" 2
69 1 27 LEU HG 1 31 VAL H . . 4.590 4.424 4.351 4.482 . 0 0 "[ . 1 . 2]" 2
70 1 31 VAL H 1 31 VAL MG1 . . 3.030 2.785 2.759 2.829 . 0 0 "[ . 1 . 2]" 2
71 1 29 ALA H 1 31 VAL H . . 4.340 3.902 3.872 3.938 . 0 0 "[ . 1 . 2]" 2
72 1 14 CYS H 1 30 HIS HD2 . . 5.490 5.416 5.357 5.479 . 0 0 "[ . 1 . 2]" 2
73 1 14 CYS H 1 20 ARG HA . . 3.730 3.076 3.030 3.110 . 0 0 "[ . 1 . 2]" 2
74 1 13 LYS HA 1 14 CYS H . . 2.740 2.196 2.183 2.210 . 0 0 "[ . 1 . 2]" 2
75 1 14 CYS H 1 14 CYS HB3 . . 3.040 2.392 2.325 2.497 . 0 0 "[ . 1 . 2]" 2
76 1 14 CYS H 1 20 ARG HG3 . . 4.790 3.823 3.766 3.924 . 0 0 "[ . 1 . 2]" 2
77 1 13 LYS HG3 1 14 CYS H . . 3.730 3.186 3.119 3.248 . 0 0 "[ . 1 . 2]" 2
78 1 14 CYS H 1 19 ALA MB . . 3.990 3.175 3.129 3.284 . 0 0 "[ . 1 . 2]" 2
79 1 34 HIS H 1 35 THR H . . 3.530 2.681 2.532 2.782 . 0 0 "[ . 1 . 2]" 2
80 1 14 CYS H 1 21 PHE QE . . 4.130 3.316 3.262 3.357 . 0 0 "[ . 1 . 2]" 2
81 1 35 THR H 1 35 THR HB . . 4.110 2.587 2.494 2.712 . 0 0 "[ . 1 . 2]" 2
82 1 32 LEU HA 1 35 THR H . . 4.410 3.576 3.261 3.851 . 0 0 "[ . 1 . 2]" 2
83 1 14 CYS H 1 18 GLY HA2 . . 4.750 4.199 4.154 4.250 . 0 0 "[ . 1 . 2]" 2
84 1 34 HIS QB 1 35 THR H . . 3.830 2.165 1.976 2.432 . 0 0 "[ . 1 . 2]" 2
85 1 35 THR H 1 35 THR MG . . 3.910 2.096 1.908 2.298 . 0 0 "[ . 1 . 2]" 2
86 1 23 GLN HE22 1 25 ALA MB . . 5.500 5.365 5.286 5.465 . 0 0 "[ . 1 . 2]" 2
87 1 32 LEU H 1 35 THR H . . 5.500 5.310 5.085 5.491 . 0 0 "[ . 1 . 2]" 2
88 1 21 PHE HB2 1 22 VAL H . . 3.920 3.509 3.487 3.546 . 0 0 "[ . 1 . 2]" 2
89 1 22 VAL H 1 22 VAL HB . . 3.330 2.906 2.857 2.929 . 0 0 "[ . 1 . 2]" 2
90 1 10 LYS HB3 1 22 VAL H . . 4.760 4.257 4.153 4.379 . 0 0 "[ . 1 . 2]" 2
91 1 32 LEU H 1 34 HIS H . . 4.810 4.582 4.528 4.619 . 0 0 "[ . 1 . 2]" 2
92 1 12 TYR QD 1 22 VAL H . . 4.910 4.575 4.534 4.632 . 0 0 "[ . 1 . 2]" 2
93 1 21 PHE HB3 1 22 VAL H . . 3.480 2.604 2.580 2.642 . 0 0 "[ . 1 . 2]" 2
94 1 22 VAL H 1 26 HIS HB2 . . 4.750 4.134 4.109 4.157 . 0 0 "[ . 1 . 2]" 2
95 1 32 LEU H 1 32 LEU HG . . 2.890 2.045 2.009 2.088 . 0 0 "[ . 1 . 2]" 2
96 1 32 LEU H 1 32 LEU HB2 . . 2.950 2.614 2.594 2.632 . 0 0 "[ . 1 . 2]" 2
97 1 32 LEU H 1 32 LEU MD1 . . 3.570 3.525 3.454 3.568 . 0 0 "[ . 1 . 2]" 2
98 1 22 VAL H 1 23 GLN HB2 . . 5.060 4.663 4.625 4.691 . 0 0 "[ . 1 . 2]" 2
99 1 32 LEU H 1 33 ILE MD . . 5.020 4.943 4.925 4.969 . 0 0 "[ . 1 . 2]" 2
100 1 30 HIS HB3 1 32 LEU H . . 5.050 4.994 4.977 5.007 . 0 0 "[ . 1 . 2]" 2
101 1 30 HIS HB2 1 32 LEU H . . 5.500 5.512 5.493 5.527 0.027 11 0 "[ . 1 . 2]" 2
102 1 31 VAL HB 1 32 LEU H . . 3.970 3.745 3.726 3.760 . 0 0 "[ . 1 . 2]" 2
103 1 23 GLN H 1 24 VAL H . . 4.570 4.451 4.440 4.462 . 0 0 "[ . 1 . 2]" 2
104 1 12 TYR QE 1 24 VAL H . . 3.560 2.759 2.700 2.852 . 0 0 "[ . 1 . 2]" 2
105 1 23 GLN HG3 1 24 VAL H . . 5.020 5.008 4.966 5.027 0.007 17 0 "[ . 1 . 2]" 2
106 1 23 GLN HB3 1 24 VAL H . . 3.570 2.977 2.919 3.042 . 0 0 "[ . 1 . 2]" 2
107 1 24 VAL H 1 24 VAL HB . . 3.030 2.218 2.213 2.221 . 0 0 "[ . 1 . 2]" 2
108 1 23 GLN HB2 1 24 VAL H . . 4.310 4.174 4.140 4.217 . 0 0 "[ . 1 . 2]" 2
109 1 24 VAL H 1 24 VAL MG2 . . 3.650 3.626 3.621 3.630 . 0 0 "[ . 1 . 2]" 2
110 1 24 VAL H 1 24 VAL MG1 . . 3.300 2.707 2.698 2.720 . 0 0 "[ . 1 . 2]" 2
111 1 37 SER QB 1 38 GLY H . . 5.240 3.328 2.047 4.054 . 0 0 "[ . 1 . 2]" 2
112 1 15 GLU H 1 16 THR H . . 3.550 2.445 2.436 2.459 . 0 0 "[ . 1 . 2]" 2
113 1 16 THR H 1 17 CYS H . . 2.920 2.749 2.725 2.792 . 0 0 "[ . 1 . 2]" 2
114 1 14 CYS HA 1 16 THR H . . 3.880 3.559 3.542 3.583 . 0 0 "[ . 1 . 2]" 2
115 1 16 THR H 1 16 THR HB . . 2.810 2.465 2.442 2.491 . 0 0 "[ . 1 . 2]" 2
116 1 15 GLU HG3 1 16 THR H . . 4.340 4.306 4.295 4.325 . 0 0 "[ . 1 . 2]" 2
117 1 15 GLU HB3 1 16 THR H . . 4.060 3.973 3.953 3.985 . 0 0 "[ . 1 . 2]" 2
118 1 15 GLU HB2 1 16 THR H . . 3.840 2.940 2.911 2.958 . 0 0 "[ . 1 . 2]" 2
119 1 16 THR H 1 18 GLY HA2 . . 5.400 5.404 5.379 5.412 0.012 5 0 "[ . 1 . 2]" 2
120 1 16 THR H 1 27 LEU MD1 . . 5.000 4.801 4.711 4.879 . 0 0 "[ . 1 . 2]" 2
121 1 29 ALA H 1 30 HIS H . . 3.010 2.261 2.239 2.284 . 0 0 "[ . 1 . 2]" 2
122 1 27 LEU H 1 29 ALA H . . 3.890 3.816 3.791 3.845 . 0 0 "[ . 1 . 2]" 2
123 1 27 LEU HA 1 29 ALA H . . 3.940 3.817 3.783 3.855 . 0 0 "[ . 1 . 2]" 2
124 1 28 ARG HG2 1 29 ALA H . . 3.180 2.788 2.712 2.874 . 0 0 "[ . 1 . 2]" 2
125 1 28 ARG HG3 1 29 ALA H . . 3.970 3.086 3.007 3.214 . 0 0 "[ . 1 . 2]" 2
126 1 29 ALA H 1 29 ALA MB . . 2.670 2.236 2.165 2.299 . 0 0 "[ . 1 . 2]" 2
127 1 28 ARG H 1 29 ALA H . . 3.130 2.687 2.678 2.695 . 0 0 "[ . 1 . 2]" 2
128 1 26 HIS HB2 1 29 ALA H . . 5.470 5.244 5.227 5.259 . 0 0 "[ . 1 . 2]" 2
129 1 28 ARG HD3 1 29 ALA H . . 5.190 5.004 4.923 5.108 . 0 0 "[ . 1 . 2]" 2
130 1 29 ALA H 1 30 HIS HB2 . . 5.230 5.011 5.004 5.031 . 0 0 "[ . 1 . 2]" 2
131 1 27 LEU HB3 1 29 ALA H . . 4.770 4.598 4.576 4.628 . 0 0 "[ . 1 . 2]" 2
132 1 27 LEU MD1 1 29 ALA H . . 5.070 4.696 4.628 4.766 . 0 0 "[ . 1 . 2]" 2
133 1 15 GLU H 1 17 CYS H . . 4.960 4.330 4.298 4.403 . 0 0 "[ . 1 . 2]" 2
134 1 30 HIS H 1 31 VAL H . . 3.070 2.145 2.141 2.154 . 0 0 "[ . 1 . 2]" 2
135 1 30 HIS H 1 30 HIS HD2 . . 4.340 4.276 4.249 4.304 . 0 0 "[ . 1 . 2]" 2
136 1 30 HIS H 1 32 LEU H . . 3.910 3.697 3.686 3.707 . 0 0 "[ . 1 . 2]" 2
137 1 21 PHE HZ 1 30 HIS H . . 4.970 4.900 4.848 4.937 . 0 0 "[ . 1 . 2]" 2
138 1 26 HIS HA 1 30 HIS H . . 4.880 4.751 4.719 4.792 . 0 0 "[ . 1 . 2]" 2
139 1 15 GLU HA 1 17 CYS H . . 4.850 4.089 4.032 4.211 . 0 0 "[ . 1 . 2]" 2
140 1 28 ARG HA 1 30 HIS H . . 4.500 3.899 3.881 3.914 . 0 0 "[ . 1 . 2]" 2
141 1 16 THR HB 1 17 CYS H . . 2.920 2.699 2.601 2.750 . 0 0 "[ . 1 . 2]" 2
142 1 30 HIS H 1 30 HIS HB3 . . 2.780 2.277 2.273 2.281 . 0 0 "[ . 1 . 2]" 2
143 1 30 HIS H 1 30 HIS HB2 . . 3.320 3.208 3.197 3.217 . 0 0 "[ . 1 . 2]" 2
144 1 30 HIS H 1 31 VAL HB . . 5.500 5.576 5.571 5.580 0.080 12 0 "[ . 1 . 2]" 2
145 1 15 GLU HB2 1 17 CYS H . . 5.500 5.250 5.221 5.329 . 0 0 "[ . 1 . 2]" 2
146 1 28 ARG HG2 1 30 HIS H . . 5.500 4.960 4.897 5.038 . 0 0 "[ . 1 . 2]" 2
147 1 30 HIS H 1 32 LEU HB2 . . 5.500 5.370 5.350 5.396 . 0 0 "[ . 1 . 2]" 2
148 1 30 HIS H 1 31 VAL MG2 . . 4.070 3.021 3.013 3.027 . 0 0 "[ . 1 . 2]" 2
149 1 27 LEU MD1 1 30 HIS H . . 4.120 3.820 3.747 3.872 . 0 0 "[ . 1 . 2]" 2
150 1 16 THR MG 1 17 CYS H . . 3.480 3.331 3.258 3.378 . 0 0 "[ . 1 . 2]" 2
151 1 27 LEU HG 1 30 HIS H . . 5.230 4.832 4.769 4.881 . 0 0 "[ . 1 . 2]" 2
152 1 28 ARG HG3 1 30 HIS H . . 5.500 4.979 4.908 5.092 . 0 0 "[ . 1 . 2]" 2
153 1 30 HIS H 1 33 ILE MD . . 5.500 5.522 5.508 5.540 0.040 19 0 "[ . 1 . 2]" 2
154 1 14 CYS H 1 19 ALA H . . 3.920 3.337 3.289 3.366 . 0 0 "[ . 1 . 2]" 2
155 1 14 CYS HA 1 17 CYS H . . 5.110 4.608 4.588 4.647 . 0 0 "[ . 1 . 2]" 2
156 1 14 CYS HA 1 19 ALA H . . 5.470 4.619 4.582 4.673 . 0 0 "[ . 1 . 2]" 2
157 1 14 CYS HB2 1 19 ALA H . . 3.740 3.617 3.579 3.634 . 0 0 "[ . 1 . 2]" 2
158 1 19 ALA H 1 20 ARG HG3 . . 5.430 5.089 5.024 5.147 . 0 0 "[ . 1 . 2]" 2
159 1 19 ALA H 1 19 ALA MB . . 2.740 2.177 2.040 2.244 . 0 0 "[ . 1 . 2]" 2
160 1 33 ILE H 1 34 HIS H . . 2.990 2.740 2.695 2.774 . 0 0 "[ . 1 . 2]" 2
161 1 19 ALA H 1 30 HIS HD2 . . 5.290 5.111 5.072 5.203 . 0 0 "[ . 1 . 2]" 2
162 1 34 HIS H 1 34 HIS HD2 . . 3.630 2.531 2.504 2.560 . 0 0 "[ . 1 . 2]" 2
163 1 19 ALA H 1 21 PHE HZ . . 5.500 5.510 5.504 5.520 0.020 19 0 "[ . 1 . 2]" 2
164 1 34 HIS H 1 34 HIS QB . . 2.830 2.680 2.668 2.703 . 0 0 "[ . 1 . 2]" 2
165 1 31 VAL HB 1 34 HIS H . . 5.310 5.090 5.065 5.108 . 0 0 "[ . 1 . 2]" 2
166 1 33 ILE HB 1 34 HIS H . . 3.870 3.722 3.705 3.779 . 0 0 "[ . 1 . 2]" 2
167 1 31 VAL MG1 1 34 HIS H . . 5.230 5.034 4.995 5.066 . 0 0 "[ . 1 . 2]" 2
168 1 34 HIS H 1 35 THR MG . . 4.420 3.750 3.490 4.005 . 0 0 "[ . 1 . 2]" 2
169 1 33 ILE HG12 1 34 HIS H . . 3.840 1.967 1.945 2.022 . 0 0 "[ . 1 . 2]" 2
170 1 33 ILE HG13 1 34 HIS H . . 3.770 2.305 2.269 2.406 . 0 0 "[ . 1 . 2]" 2
171 1 10 LYS HA 1 12 TYR H . . 4.220 3.799 3.716 3.911 . 0 0 "[ . 1 . 2]" 2
172 1 12 TYR H 1 21 PHE H . . 3.740 3.746 3.706 3.761 0.021 10 0 "[ . 1 . 2]" 2
173 1 12 TYR H 1 12 TYR QD . . 3.230 2.308 2.200 2.365 . 0 0 "[ . 1 . 2]" 2
174 1 20 ARG H 1 21 PHE QE . . 4.830 3.429 3.396 3.464 . 0 0 "[ . 1 . 2]" 2
175 1 11 PRO HA 1 12 TYR H . . 3.550 3.551 3.543 3.560 0.010 2 0 "[ . 1 . 2]" 2
176 1 11 PRO QD 1 12 TYR H . . 3.310 2.619 2.609 2.640 . 0 0 "[ . 1 . 2]" 2
177 1 12 TYR H 1 12 TYR HB3 . . 3.830 3.634 3.621 3.644 . 0 0 "[ . 1 . 2]" 2
178 1 12 TYR H 1 12 TYR HB2 . . 3.050 2.595 2.579 2.612 . 0 0 "[ . 1 . 2]" 2
179 1 12 TYR H 1 21 PHE HB2 . . 4.690 4.689 4.660 4.701 0.011 6 0 "[ . 1 . 2]" 2
180 1 11 PRO HB3 1 12 TYR H . . 4.270 4.038 3.986 4.071 . 0 0 "[ . 1 . 2]" 2
181 1 11 PRO HG2 1 12 TYR H . . 3.660 2.164 2.071 2.227 . 0 0 "[ . 1 . 2]" 2
182 1 14 CYS H 1 20 ARG H . . 4.630 4.218 4.166 4.261 . 0 0 "[ . 1 . 2]" 2
183 1 10 LYS QE 1 20 ARG H . . 5.500 5.082 4.711 5.393 . 0 0 "[ . 1 . 2]" 2
184 1 14 CYS HB2 1 20 ARG H . . 5.500 5.184 5.120 5.245 . 0 0 "[ . 1 . 2]" 2
185 1 19 ALA H 1 20 ARG H . . 4.720 4.550 4.540 4.559 . 0 0 "[ . 1 . 2]" 2
186 1 13 LYS HA 1 20 ARG H . . 4.520 4.508 4.480 4.521 0.001 16 0 "[ . 1 . 2]" 2
187 1 20 ARG H 1 20 ARG HB2 . . 3.030 2.807 2.793 2.828 . 0 0 "[ . 1 . 2]" 2
188 1 19 ALA MB 1 20 ARG H . . 3.030 2.163 2.054 2.266 . 0 0 "[ . 1 . 2]" 2
189 1 28 ARG H 1 30 HIS H . . 4.360 4.063 4.046 4.078 . 0 0 "[ . 1 . 2]" 2
190 1 26 HIS HA 1 28 ARG H . . 5.040 4.912 4.879 4.955 . 0 0 "[ . 1 . 2]" 2
191 1 15 GLU HA 1 19 ALA H . . 5.500 5.345 5.324 5.382 . 0 0 "[ . 1 . 2]" 2
192 1 28 ARG H 1 29 ALA HA . . 5.500 5.287 5.282 5.296 . 0 0 "[ . 1 . 2]" 2
193 1 28 ARG H 1 29 ALA MB . . 4.550 4.351 4.302 4.383 . 0 0 "[ . 1 . 2]" 2
194 1 24 VAL HB 1 28 ARG H . . 5.500 5.377 5.356 5.403 . 0 0 "[ . 1 . 2]" 2
195 1 27 LEU H 1 28 ARG H . . 3.010 2.818 2.803 2.834 . 0 0 "[ . 1 . 2]" 2
196 1 27 LEU HB3 1 28 ARG H . . 3.170 2.429 2.410 2.449 . 0 0 "[ . 1 . 2]" 2
197 1 28 ARG H 1 28 ARG HB3 . . 2.940 2.327 2.317 2.337 . 0 0 "[ . 1 . 2]" 2
198 1 28 ARG H 1 28 ARG HG2 . . 3.230 2.516 2.491 2.538 . 0 0 "[ . 1 . 2]" 2
199 1 27 LEU HG 1 28 ARG H . . 3.250 2.969 2.914 2.995 . 0 0 "[ . 1 . 2]" 2
200 1 28 ARG H 1 31 VAL MG2 . . 3.690 3.679 3.663 3.691 0.001 19 0 "[ . 1 . 2]" 2
201 1 27 LEU MD1 1 28 ARG H . . 4.780 3.986 3.946 4.039 . 0 0 "[ . 1 . 2]" 2
202 1 13 LYS H 1 20 ARG HG2 . . 4.960 4.829 4.729 4.888 . 0 0 "[ . 1 . 2]" 2
203 1 12 TYR H 1 13 LYS H . . 4.760 4.527 4.510 4.541 . 0 0 "[ . 1 . 2]" 2
204 1 13 LYS H 1 21 PHE QD . . 5.130 4.946 4.926 4.963 . 0 0 "[ . 1 . 2]" 2
205 1 12 TYR QD 1 13 LYS H . . 4.500 4.331 4.293 4.394 . 0 0 "[ . 1 . 2]" 2
206 1 12 TYR HB2 1 13 LYS H . . 4.240 4.068 4.042 4.090 . 0 0 "[ . 1 . 2]" 2
207 1 13 LYS H 1 13 LYS HB3 . . 3.340 2.649 2.634 2.667 . 0 0 "[ . 1 . 2]" 2
208 1 13 LYS H 1 13 LYS HB2 . . 3.340 3.336 3.313 3.350 0.010 6 0 "[ . 1 . 2]" 2
209 1 13 LYS H 1 13 LYS HG3 . . 4.900 4.887 4.876 4.903 0.003 13 0 "[ . 1 . 2]" 2
210 1 13 LYS H 1 27 LEU MD2 . . 3.500 2.540 2.531 2.553 . 0 0 "[ . 1 . 2]" 2
211 1 13 LYS H 1 14 CYS H . . 4.490 4.358 4.335 4.379 . 0 0 "[ . 1 . 2]" 2
212 1 13 LYS H 1 20 ARG HA . . 4.850 4.591 4.570 4.610 . 0 0 "[ . 1 . 2]" 2
213 1 31 VAL HB 1 33 ILE H . . 5.180 5.045 4.995 5.075 . 0 0 "[ . 1 . 2]" 2
214 1 31 VAL H 1 33 ILE H . . 4.610 4.255 4.239 4.264 . 0 0 "[ . 1 . 2]" 2
215 1 32 LEU H 1 33 ILE H . . 3.190 2.560 2.545 2.570 . 0 0 "[ . 1 . 2]" 2
216 1 32 LEU HA 1 33 ILE H . . 3.560 3.419 3.405 3.429 . 0 0 "[ . 1 . 2]" 2
217 1 32 LEU HG 1 33 ILE H . . 4.420 4.283 4.258 4.324 . 0 0 "[ . 1 . 2]" 2
218 1 32 LEU HB2 1 33 ILE H . . 3.160 3.106 3.074 3.153 . 0 0 "[ . 1 . 2]" 2
219 1 33 ILE H 1 33 ILE HG12 . . 3.270 2.274 2.253 2.287 . 0 0 "[ . 1 . 2]" 2
220 1 12 TYR QD 1 21 PHE H . . 4.600 4.411 4.347 4.479 . 0 0 "[ . 1 . 2]" 2
221 1 20 ARG HA 1 21 PHE H . . 2.770 2.351 2.347 2.356 . 0 0 "[ . 1 . 2]" 2
222 1 13 LYS HA 1 21 PHE H . . 3.790 3.594 3.574 3.620 . 0 0 "[ . 1 . 2]" 2
223 1 21 PHE H 1 27 LEU MD1 . . 4.780 4.750 4.681 4.788 0.008 10 0 "[ . 1 . 2]" 2
224 1 21 PHE H 1 22 VAL H . . 4.630 4.362 4.355 4.366 . 0 0 "[ . 1 . 2]" 2
225 1 21 PHE H 1 21 PHE QD . . 3.190 2.671 2.639 2.683 . 0 0 "[ . 1 . 2]" 2
226 1 10 LYS HA 1 21 PHE H . . 5.210 4.436 4.339 4.518 . 0 0 "[ . 1 . 2]" 2
227 1 20 ARG QD 1 21 PHE H . . 5.020 4.782 4.657 4.980 . 0 0 "[ . 1 . 2]" 2
228 1 12 TYR HB3 1 21 PHE H . . 4.800 4.515 4.474 4.588 . 0 0 "[ . 1 . 2]" 2
229 1 21 PHE H 1 21 PHE HB2 . . 3.340 3.086 3.077 3.091 . 0 0 "[ . 1 . 2]" 2
230 1 20 ARG HB3 1 21 PHE H . . 3.250 2.573 2.553 2.587 . 0 0 "[ . 1 . 2]" 2
231 1 10 LYS HB2 1 21 PHE H . . 4.210 3.493 3.370 3.604 . 0 0 "[ . 1 . 2]" 2
232 1 10 LYS HB3 1 21 PHE H . . 3.340 2.239 2.185 2.271 . 0 0 "[ . 1 . 2]" 2
233 1 21 PHE H 1 27 LEU HB2 . . 4.160 4.131 4.103 4.145 . 0 0 "[ . 1 . 2]" 2
234 1 15 GLU H 1 27 LEU MD1 . . 4.830 3.979 3.875 4.072 . 0 0 "[ . 1 . 2]" 2
235 1 14 CYS HA 1 15 GLU H . . 3.310 2.144 2.142 2.145 . 0 0 "[ . 1 . 2]" 2
236 1 14 CYS HB3 1 15 GLU H . . 5.260 4.401 4.335 4.443 . 0 0 "[ . 1 . 2]" 2
237 1 15 GLU H 1 16 THR HB . . 5.500 4.639 4.618 4.674 . 0 0 "[ . 1 . 2]" 2
238 1 14 CYS HB2 1 15 GLU H . . 4.820 4.321 4.277 4.385 . 0 0 "[ . 1 . 2]" 2
239 1 15 GLU H 1 15 GLU HG3 . . 4.340 2.304 2.284 2.325 . 0 0 "[ . 1 . 2]" 2
240 1 15 GLU H 1 15 GLU HB3 . . 4.190 3.610 3.608 3.612 . 0 0 "[ . 1 . 2]" 2
241 1 15 GLU H 1 15 GLU HB2 . . 3.830 2.534 2.529 2.539 . 0 0 "[ . 1 . 2]" 2
242 1 26 HIS H 1 27 LEU HB2 . . 5.350 5.161 5.131 5.199 . 0 0 "[ . 1 . 2]" 2
243 1 24 VAL MG2 1 26 HIS H . . 4.970 4.833 4.796 4.888 . 0 0 "[ . 1 . 2]" 2
244 1 25 ALA H 1 26 HIS H . . 3.350 2.806 2.790 2.838 . 0 0 "[ . 1 . 2]" 2
245 1 26 HIS H 1 28 ARG H . . 4.310 4.086 4.045 4.147 . 0 0 "[ . 1 . 2]" 2
246 1 23 GLN H 1 26 HIS H . . 4.320 4.123 4.103 4.155 . 0 0 "[ . 1 . 2]" 2
247 1 21 PHE HB3 1 26 HIS H . . 4.610 4.416 4.362 4.462 . 0 0 "[ . 1 . 2]" 2
248 1 26 HIS H 1 26 HIS HB2 . . 3.130 2.654 2.645 2.673 . 0 0 "[ . 1 . 2]" 2
249 1 26 HIS H 1 26 HIS HB3 . . 3.640 3.632 3.625 3.639 . 0 0 "[ . 1 . 2]" 2
250 1 24 VAL HA 1 26 HIS H . . 4.230 3.742 3.708 3.791 . 0 0 "[ . 1 . 2]" 2
251 1 23 GLN HB3 1 26 HIS H . . 3.410 3.384 3.319 3.411 0.001 11 0 "[ . 1 . 2]" 2
252 1 25 ALA MB 1 26 HIS H . . 3.270 2.893 2.805 2.932 . 0 0 "[ . 1 . 2]" 2
253 1 23 GLN HB2 1 26 HIS H . . 3.790 3.655 3.629 3.719 . 0 0 "[ . 1 . 2]" 2
254 1 24 VAL MG1 1 26 HIS H . . 4.780 4.043 4.011 4.068 . 0 0 "[ . 1 . 2]" 2
255 1 21 PHE HB2 1 26 HIS H . . 4.870 4.488 4.446 4.530 . 0 0 "[ . 1 . 2]" 2
256 1 13 LYS QE 1 13 LYS HG3 . . 3.770 2.713 2.642 2.815 . 0 0 "[ . 1 . 2]" 2
257 1 13 LYS HG2 1 14 CYS H . . 3.940 2.534 2.407 2.618 . 0 0 "[ . 1 . 2]" 2
258 1 13 LYS H 1 13 LYS HG2 . . 4.390 4.285 4.277 4.301 . 0 0 "[ . 1 . 2]" 2
259 1 13 LYS HG3 1 18 GLY H . . 5.430 5.391 5.351 5.428 . 0 0 "[ . 1 . 2]" 2
260 1 13 LYS HG2 1 18 GLY H . . 5.030 4.602 4.540 4.625 . 0 0 "[ . 1 . 2]" 2
261 1 13 LYS HG2 1 20 ARG HA . . 4.880 4.509 4.421 4.546 . 0 0 "[ . 1 . 2]" 2
262 1 13 LYS HA 1 13 LYS HG2 . . 3.870 2.971 2.926 2.993 . 0 0 "[ . 1 . 2]" 2
263 1 13 LYS HG3 1 15 GLU HA . . 5.390 5.341 5.314 5.399 0.009 19 0 "[ . 1 . 2]" 2
264 1 13 LYS HG2 1 20 ARG QD . . 5.100 5.014 4.940 5.106 0.006 8 0 "[ . 1 . 2]" 2
265 1 13 LYS HG3 1 20 ARG HG3 . . 3.520 2.450 2.356 2.589 . 0 0 "[ . 1 . 2]" 2
266 1 16 THR HB 1 18 GLY H . . 4.420 4.433 4.377 4.456 0.036 4 0 "[ . 1 . 2]" 2
267 1 16 THR HB 1 34 HIS HD2 . . 3.540 3.169 3.091 3.248 . 0 0 "[ . 1 . 2]" 2
268 1 17 CYS HA 1 18 GLY HA3 . . 4.610 4.535 4.532 4.538 . 0 0 "[ . 1 . 2]" 2
269 1 18 GLY HA2 1 20 ARG HG3 . . 5.230 5.121 5.092 5.177 . 0 0 "[ . 1 . 2]" 2
270 1 13 LYS HG3 1 18 GLY HA3 . . 4.860 4.882 4.873 4.898 0.038 19 0 "[ . 1 . 2]" 2
271 1 17 CYS HA 1 18 GLY HA2 . . 5.150 5.068 5.058 5.075 . 0 0 "[ . 1 . 2]" 2
272 1 13 LYS HD3 1 18 GLY HA2 . . 5.020 4.960 4.694 5.025 0.005 16 0 "[ . 1 . 2]" 2
273 1 13 LYS HG3 1 18 GLY HA2 . . 3.970 3.701 3.688 3.729 . 0 0 "[ . 1 . 2]" 2
274 1 13 LYS HG2 1 18 GLY HA2 . . 3.990 3.285 3.245 3.306 . 0 0 "[ . 1 . 2]" 2
275 1 13 LYS HG2 1 18 GLY HA3 . . 4.910 4.893 4.839 4.922 0.012 14 0 "[ . 1 . 2]" 2
276 1 35 THR H 1 36 GLY QA . . 5.090 4.830 4.381 5.098 0.008 18 0 "[ . 1 . 2]" 2
277 1 20 ARG H 1 27 LEU MD1 . . 4.900 4.740 4.678 4.797 . 0 0 "[ . 1 . 2]" 2
278 1 14 CYS H 1 27 LEU MD1 . . 3.740 2.859 2.779 2.903 . 0 0 "[ . 1 . 2]" 2
279 1 13 LYS H 1 27 LEU MD1 . . 4.470 4.263 4.169 4.315 . 0 0 "[ . 1 . 2]" 2
280 1 27 LEU MD1 1 31 VAL H . . 3.590 3.274 3.210 3.339 . 0 0 "[ . 1 . 2]" 2
281 1 21 PHE QD 1 27 LEU MD1 . . 3.090 2.607 2.555 2.643 . 0 0 "[ . 1 . 2]" 2
282 1 27 LEU MD1 1 30 HIS HD2 . . 3.270 2.716 2.674 2.747 . 0 0 "[ . 1 . 2]" 2
283 1 21 PHE QE 1 27 LEU MD1 . . 3.130 1.984 1.949 2.012 . 0 0 "[ . 1 . 2]" 2
284 1 21 PHE HZ 1 27 LEU MD1 . . 4.480 3.498 3.445 3.525 . 0 0 "[ . 1 . 2]" 2
285 1 20 ARG HA 1 27 LEU MD1 . . 4.600 3.863 3.786 3.913 . 0 0 "[ . 1 . 2]" 2
286 1 13 LYS HA 1 27 LEU MD1 . . 4.070 3.534 3.435 3.612 . 0 0 "[ . 1 . 2]" 2
287 1 14 CYS HA 1 27 LEU MD1 . . 3.100 2.220 2.120 2.299 . 0 0 "[ . 1 . 2]" 2
288 1 27 LEU MD1 1 30 HIS HA . . 5.500 5.410 5.350 5.450 . 0 0 "[ . 1 . 2]" 2
289 1 14 CYS HB3 1 27 LEU MD1 . . 3.600 3.137 3.087 3.197 . 0 0 "[ . 1 . 2]" 2
290 1 27 LEU HA 1 27 LEU MD1 . . 2.870 2.190 2.151 2.226 . 0 0 "[ . 1 . 2]" 2
291 1 12 TYR HB3 1 27 LEU MD1 . . 4.120 4.014 3.941 4.067 . 0 0 "[ . 1 . 2]" 2
292 1 27 LEU MD1 1 31 VAL HB . . 4.690 4.442 4.388 4.523 . 0 0 "[ . 1 . 2]" 2
293 1 27 LEU HB3 1 27 LEU MD1 . . 3.420 3.195 3.193 3.196 . 0 0 "[ . 1 . 2]" 2
294 1 27 LEU MD1 1 31 VAL MG1 . . 2.920 1.940 1.857 2.103 . 0 0 "[ . 1 . 2]" 2
295 1 27 LEU HB2 1 27 LEU MD1 . . 3.000 2.420 2.388 2.449 . 0 0 "[ . 1 . 2]" 2
296 1 36 GLY QA 1 37 SER HA . . 4.720 3.996 3.928 4.485 . 0 0 "[ . 1 . 2]" 2
297 1 31 VAL H 1 32 LEU MD2 . . 4.880 4.694 4.579 4.771 . 0 0 "[ . 1 . 2]" 2
298 1 29 ALA H 1 32 LEU MD2 . . 5.500 5.472 5.422 5.502 0.002 19 0 "[ . 1 . 2]" 2
299 1 32 LEU H 1 32 LEU MD2 . . 3.410 3.181 3.118 3.223 . 0 0 "[ . 1 . 2]" 2
300 1 32 LEU HA 1 32 LEU MD2 . . 2.700 2.077 1.978 2.300 . 0 0 "[ . 1 . 2]" 2
301 1 28 ARG HA 1 32 LEU MD2 . . 4.580 4.347 4.255 4.430 . 0 0 "[ . 1 . 2]" 2
302 1 32 LEU HB2 1 32 LEU MD2 . . 3.240 3.183 3.174 3.192 . 0 0 "[ . 1 . 2]" 2
303 1 32 LEU HB3 1 32 LEU MD2 . . 3.050 2.343 2.231 2.392 . 0 0 "[ . 1 . 2]" 2
304 1 32 LEU MD2 1 33 ILE H . . 4.820 4.680 4.653 4.724 . 0 0 "[ . 1 . 2]" 2
305 1 31 VAL HB 1 32 LEU MD2 . . 4.630 4.159 4.006 4.246 . 0 0 "[ . 1 . 2]" 2
306 1 8 GLY QA 1 9 GLU HG2 . . 4.850 3.726 3.103 4.789 . 0 0 "[ . 1 . 2]" 2
307 1 31 VAL MG2 1 32 LEU MD2 . . 3.460 3.034 2.893 3.141 . 0 0 "[ . 1 . 2]" 2
308 1 14 CYS H 1 31 VAL MG1 . . 5.010 4.865 4.833 4.894 . 0 0 "[ . 1 . 2]" 2
309 1 24 VAL MG2 1 28 ARG H . . 4.070 3.086 3.030 3.234 . 0 0 "[ . 1 . 2]" 2
310 1 31 VAL MG1 1 33 ILE H . . 5.270 5.124 5.087 5.147 . 0 0 "[ . 1 . 2]" 2
311 1 24 VAL MG2 1 29 ALA H . . 5.460 5.312 5.276 5.381 . 0 0 "[ . 1 . 2]" 2
312 1 12 TYR QD 1 24 VAL MG2 . . 3.560 2.416 2.350 2.519 . 0 0 "[ . 1 . 2]" 2
313 1 12 TYR QE 1 24 VAL MG2 . . 3.290 2.419 2.320 2.618 . 0 0 "[ . 1 . 2]" 2
314 1 38 GLY HA2 1 39 PRO QD . . 3.370 2.435 1.925 3.418 0.048 11 0 "[ . 1 . 2]" 2
315 1 38 GLY HA3 1 39 PRO QD . . 3.370 2.486 1.873 3.391 0.021 7 0 "[ . 1 . 2]" 2
316 1 12 TYR HB3 1 24 VAL MG2 . . 3.930 3.453 3.235 3.530 . 0 0 "[ . 1 . 2]" 2
317 1 12 TYR HB2 1 24 VAL MG2 . . 4.860 4.452 4.308 4.527 . 0 0 "[ . 1 . 2]" 2
318 1 24 VAL MG2 1 27 LEU HB3 . . 3.660 3.028 2.997 3.141 . 0 0 "[ . 1 . 2]" 2
319 1 22 VAL MG1 1 23 GLN HB3 . . 4.500 4.318 4.219 4.421 . 0 0 "[ . 1 . 2]" 2
320 1 24 VAL MG2 1 28 ARG HB3 . . 3.440 2.620 2.436 2.681 . 0 0 "[ . 1 . 2]" 2
321 1 24 VAL MG2 1 27 LEU HB2 . . 4.730 4.517 4.501 4.557 . 0 0 "[ . 1 . 2]" 2
322 1 24 VAL MG2 1 27 LEU MD2 . . 3.320 2.952 2.855 3.051 . 0 0 "[ . 1 . 2]" 2
323 1 22 VAL H 1 22 VAL MG1 . . 3.150 1.851 1.832 1.925 . 0 0 "[ . 1 . 2]" 2
324 1 21 PHE H 1 21 PHE HB3 . . 4.120 4.003 3.999 4.006 . 0 0 "[ . 1 . 2]" 2
325 1 16 THR H 1 31 VAL MG1 . . 5.010 3.430 3.335 3.518 . 0 0 "[ . 1 . 2]" 2
326 1 30 HIS H 1 31 VAL MG1 . . 4.470 4.349 4.326 4.384 . 0 0 "[ . 1 . 2]" 2
327 1 22 VAL MG1 1 23 GLN H . . 3.710 1.933 1.880 1.961 . 0 0 "[ . 1 . 2]" 2
328 1 21 PHE QD 1 31 VAL MG1 . . 5.500 5.441 5.397 5.499 . 0 0 "[ . 1 . 2]" 2
329 1 29 ALA H 1 31 VAL MG1 . . 5.500 5.458 5.402 5.506 0.006 6 0 "[ . 1 . 2]" 2
330 1 30 HIS HD2 1 31 VAL MG1 . . 3.170 2.654 2.432 2.745 . 0 0 "[ . 1 . 2]" 2
331 1 31 VAL MG1 1 34 HIS HD2 . . 3.380 3.095 3.050 3.176 . 0 0 "[ . 1 . 2]" 2
332 1 21 PHE HB3 1 27 LEU H . . 3.670 3.494 3.463 3.526 . 0 0 "[ . 1 . 2]" 2
333 1 12 TYR QE 1 22 VAL MG1 . . 5.500 5.187 5.134 5.272 . 0 0 "[ . 1 . 2]" 2
334 1 22 VAL MG1 1 26 HIS H . . 5.500 5.144 5.098 5.197 . 0 0 "[ . 1 . 2]" 2
335 1 22 VAL MG1 1 26 HIS HD2 . . 5.500 5.103 5.005 5.159 . 0 0 "[ . 1 . 2]" 2
336 1 21 PHE HB2 1 27 LEU H . . 3.740 2.924 2.890 2.959 . 0 0 "[ . 1 . 2]" 2
337 1 14 CYS HA 1 31 VAL MG1 . . 4.190 3.041 2.984 3.091 . 0 0 "[ . 1 . 2]" 2
338 1 21 PHE HB3 1 22 VAL HA . . 4.990 4.952 4.940 4.968 . 0 0 "[ . 1 . 2]" 2
339 1 11 PRO QD 1 22 VAL MG1 . . 4.710 4.635 4.585 4.677 . 0 0 "[ . 1 . 2]" 2
340 1 11 PRO QD 1 21 PHE HB2 . . 5.420 5.390 5.346 5.419 . 0 0 "[ . 1 . 2]" 2
341 1 21 PHE HB3 1 22 VAL MG1 . . 4.530 3.563 3.447 3.596 . 0 0 "[ . 1 . 2]" 2
342 1 21 PHE HB2 1 26 HIS HB2 . . 3.740 2.850 2.801 2.879 . 0 0 "[ . 1 . 2]" 2
343 1 21 PHE HB3 1 26 HIS HB2 . . 3.360 2.050 1.995 2.088 . 0 0 "[ . 1 . 2]" 2
344 1 14 CYS HB3 1 31 VAL MG1 . . 3.950 3.919 3.822 3.950 . 5 0 "[ . 1 . 2]" 2
345 1 21 PHE HB3 1 26 HIS HB3 . . 3.550 3.133 3.064 3.180 . 0 0 "[ . 1 . 2]" 2
346 1 21 PHE HB2 1 26 HIS HB3 . . 4.470 4.342 4.288 4.374 . 0 0 "[ . 1 . 2]" 2
347 1 30 HIS HB3 1 31 VAL MG1 . . 5.000 4.201 4.164 4.269 . 0 0 "[ . 1 . 2]" 2
348 1 12 TYR HB3 1 21 PHE HB2 . . 4.090 3.982 3.956 4.010 . 0 0 "[ . 1 . 2]" 2
349 1 21 PHE HB2 1 24 VAL HA . . 4.950 4.272 4.257 4.292 . 0 0 "[ . 1 . 2]" 2
350 1 10 LYS QE 1 22 VAL MG1 . . 3.700 3.485 3.242 3.593 . 0 0 "[ . 1 . 2]" 2
351 1 14 CYS HB2 1 31 VAL MG1 . . 3.850 2.743 2.691 2.789 . 0 0 "[ . 1 . 2]" 2
352 1 12 TYR HB2 1 21 PHE HB3 . . 4.380 4.388 4.361 4.403 0.023 13 0 "[ . 1 . 2]" 2
353 1 12 TYR HB2 1 21 PHE HB2 . . 3.460 2.717 2.688 2.726 . 0 0 "[ . 1 . 2]" 2
354 1 21 PHE HB2 1 22 VAL MG1 . . 4.870 4.501 4.399 4.534 . 0 0 "[ . 1 . 2]" 2
355 1 21 PHE HB3 1 22 VAL HB . . 5.500 5.501 5.447 5.516 0.016 4 0 "[ . 1 . 2]" 2
356 1 22 VAL MG1 1 23 GLN HG3 . . 4.100 3.763 3.611 3.838 . 0 0 "[ . 1 . 2]" 2
357 1 21 PHE HB3 1 27 LEU HB3 . . 4.890 4.845 4.826 4.865 . 0 0 "[ . 1 . 2]" 2
358 1 21 PHE HB2 1 27 LEU HB3 . . 4.130 3.471 3.459 3.483 . 0 0 "[ . 1 . 2]" 2
359 1 27 LEU HB3 1 31 VAL MG1 . . 5.280 5.085 5.018 5.168 . 0 0 "[ . 1 . 2]" 2
360 1 31 VAL MG1 1 32 LEU HG . . 5.400 5.361 5.325 5.398 . 0 0 "[ . 1 . 2]" 2
361 1 20 ARG HB3 1 21 PHE HB2 . . 5.500 5.527 5.517 5.538 0.038 19 0 "[ . 1 . 2]" 2
362 1 21 PHE HB2 1 27 LEU HG . . 5.500 5.502 5.484 5.510 0.010 8 0 "[ . 1 . 2]" 2
363 1 27 LEU HG 1 31 VAL MG1 . . 3.410 3.171 3.052 3.255 . 0 0 "[ . 1 . 2]" 2
364 1 10 LYS QD 1 21 PHE HB3 . . 4.890 4.599 4.451 4.737 . 0 0 "[ . 1 . 2]" 2
365 1 10 LYS HB3 1 21 PHE HB2 . . 5.000 4.662 4.605 4.739 . 0 0 "[ . 1 . 2]" 2
366 1 10 LYS QD 1 21 PHE HB2 . . 5.410 4.691 4.585 4.836 . 0 0 "[ . 1 . 2]" 2
367 1 21 PHE HB3 1 27 LEU HB2 . . 4.100 4.000 3.984 4.022 . 0 0 "[ . 1 . 2]" 2
368 1 21 PHE HB2 1 27 LEU HB2 . . 3.670 2.583 2.566 2.599 . 0 0 "[ . 1 . 2]" 2
369 1 21 PHE HB3 1 27 LEU MD1 . . 5.500 5.373 5.351 5.402 . 0 0 "[ . 1 . 2]" 2
370 1 21 PHE HB2 1 27 LEU MD1 . . 4.540 4.392 4.360 4.425 . 0 0 "[ . 1 . 2]" 2
371 1 21 PHE HB2 1 24 VAL MG2 . . 5.500 5.506 5.494 5.519 0.019 15 0 "[ . 1 . 2]" 2
372 1 22 VAL H 1 22 VAL MG2 . . 3.950 3.718 3.710 3.737 . 0 0 "[ . 1 . 2]" 2
373 1 22 VAL MG2 1 26 HIS HE1 . . 4.360 4.254 4.159 4.328 . 0 0 "[ . 1 . 2]" 2
374 1 22 VAL MG2 1 23 GLN HE21 . . 4.520 4.257 3.814 4.525 0.005 11 0 "[ . 1 . 2]" 2
375 1 12 TYR QE 1 22 VAL MG2 . . 4.420 4.142 4.083 4.245 . 0 0 "[ . 1 . 2]" 2
376 1 10 LYS HA 1 22 VAL MG2 . . 4.210 4.184 4.047 4.223 0.013 10 0 "[ . 1 . 2]" 2
377 1 21 PHE HB3 1 22 VAL MG2 . . 5.500 5.516 5.499 5.549 0.049 15 0 "[ . 1 . 2]" 2
378 1 10 LYS QE 1 22 VAL MG2 . . 5.090 5.024 4.871 5.095 0.005 18 0 "[ . 1 . 2]" 2
379 1 22 VAL MG2 1 23 GLN HG3 . . 3.560 3.441 3.355 3.495 . 0 0 "[ . 1 . 2]" 2
380 1 11 PRO HG3 1 22 VAL MG2 . . 4.740 4.268 4.169 4.372 . 0 0 "[ . 1 . 2]" 2
381 1 11 PRO HG2 1 22 VAL MG2 . . 4.710 4.577 4.506 4.651 . 0 0 "[ . 1 . 2]" 2
382 1 35 THR MG 1 36 GLY QA . . 4.640 3.459 2.895 3.900 . 0 0 "[ . 1 . 2]" 2
383 1 16 THR HA 1 17 CYS HA . . 4.570 4.536 4.533 4.542 . 0 0 "[ . 1 . 2]" 2
384 1 34 HIS QB 1 35 THR MG . . 3.850 3.735 3.628 3.840 . 0 0 "[ . 1 . 2]" 2
385 1 15 GLU HB3 1 16 THR HA . . 4.940 4.649 4.642 4.655 . 0 0 "[ . 1 . 2]" 2
386 1 32 LEU HB2 1 35 THR MG . . 4.860 4.327 4.211 4.478 . 0 0 "[ . 1 . 2]" 2
387 1 16 THR HA 1 16 THR MG . . 2.800 2.434 2.410 2.449 . 0 0 "[ . 1 . 2]" 2
388 1 16 THR HA 1 18 GLY H . . 5.390 5.282 5.252 5.307 . 0 0 "[ . 1 . 2]" 2
389 1 30 HIS H 1 31 VAL HA . . 4.990 4.823 4.819 4.830 . 0 0 "[ . 1 . 2]" 2
390 1 31 VAL HA 1 34 HIS H . . 3.810 3.712 3.666 3.761 . 0 0 "[ . 1 . 2]" 2
391 1 30 HIS HA 1 31 VAL HA . . 5.170 4.811 4.804 4.820 . 0 0 "[ . 1 . 2]" 2
392 1 31 VAL HA 1 32 LEU HA . . 5.500 4.788 4.781 4.793 . 0 0 "[ . 1 . 2]" 2
393 1 31 VAL HA 1 31 VAL HB . . 2.900 2.654 2.650 2.660 . 0 0 "[ . 1 . 2]" 2
394 1 31 VAL HA 1 31 VAL MG2 . . 3.180 3.137 3.135 3.139 . 0 0 "[ . 1 . 2]" 2
395 1 16 THR MG 1 31 VAL HA . . 4.980 4.279 4.188 4.359 . 0 0 "[ . 1 . 2]" 2
396 1 12 TYR QD 1 24 VAL H . . 4.230 3.603 3.556 3.683 . 0 0 "[ . 1 . 2]" 2
397 1 31 VAL HA 1 33 ILE H . . 3.860 3.611 3.565 3.645 . 0 0 "[ . 1 . 2]" 2
398 1 12 TYR QD 1 23 GLN H . . 4.000 3.654 3.625 3.689 . 0 0 "[ . 1 . 2]" 2
399 1 30 HIS HD2 1 31 VAL HA . . 3.180 2.884 2.805 2.938 . 0 0 "[ . 1 . 2]" 2
400 1 31 VAL HA 1 34 HIS HD2 . . 2.830 2.115 2.051 2.174 . 0 0 "[ . 1 . 2]" 2
401 1 13 LYS HA 1 20 ARG QD . . 4.710 4.529 4.438 4.650 . 0 0 "[ . 1 . 2]" 2
402 1 10 LYS HA 1 12 TYR QD . . 4.720 4.647 4.525 4.723 0.003 16 0 "[ . 1 . 2]" 2
403 1 12 TYR QD 1 22 VAL HA . . 3.880 3.536 3.484 3.611 . 0 0 "[ . 1 . 2]" 2
404 1 11 PRO HA 1 12 TYR QD . . 5.500 5.328 5.291 5.353 . 0 0 "[ . 1 . 2]" 2
405 1 11 PRO QD 1 12 TYR QD . . 3.470 3.036 2.970 3.085 . 0 0 "[ . 1 . 2]" 2
406 1 12 TYR QD 1 21 PHE HB3 . . 4.900 4.826 4.799 4.863 . 0 0 "[ . 1 . 2]" 2
407 1 12 TYR QD 1 26 HIS HB2 . . 5.500 5.508 5.497 5.516 0.016 7 0 "[ . 1 . 2]" 2
408 1 16 THR HB 1 31 VAL HA . . 4.620 4.038 3.926 4.118 . 0 0 "[ . 1 . 2]" 2
409 1 30 HIS HB3 1 31 VAL HA . . 4.740 4.696 4.679 4.709 . 0 0 "[ . 1 . 2]" 2
410 1 12 TYR QD 1 21 PHE HB2 . . 4.040 3.744 3.717 3.782 . 0 0 "[ . 1 . 2]" 2
411 1 12 TYR QD 1 27 LEU HB3 . . 4.300 4.099 4.035 4.132 . 0 0 "[ . 1 . 2]" 2
412 1 11 PRO HG3 1 12 TYR QD . . 4.280 3.833 3.752 3.877 . 0 0 "[ . 1 . 2]" 2
413 1 11 PRO HG2 1 12 TYR QD . . 3.600 2.287 2.198 2.336 . 0 0 "[ . 1 . 2]" 2
414 1 10 LYS HB3 1 12 TYR QD . . 5.000 4.692 4.568 4.823 . 0 0 "[ . 1 . 2]" 2
415 1 31 VAL HA 1 31 VAL MG1 . . 2.930 2.133 2.030 2.207 . 0 0 "[ . 1 . 2]" 2
416 1 12 TYR QD 1 24 VAL HB . . 4.130 3.422 3.374 3.461 . 0 0 "[ . 1 . 2]" 2
417 1 12 TYR QD 1 22 VAL MG2 . . 4.810 4.459 4.437 4.490 . 0 0 "[ . 1 . 2]" 2
418 1 12 TYR QD 1 27 LEU MD2 . . 3.350 2.942 2.872 3.010 . 0 0 "[ . 1 . 2]" 2
419 1 27 LEU MD1 1 31 VAL HA . . 4.280 4.092 4.060 4.145 . 0 0 "[ . 1 . 2]" 2
420 1 12 TYR QD 1 24 VAL MG1 . . 4.610 4.508 4.474 4.534 . 0 0 "[ . 1 . 2]" 2
421 1 31 VAL HA 1 33 ILE MD . . 4.820 3.748 3.702 3.791 . 0 0 "[ . 1 . 2]" 2
422 1 14 CYS H 1 20 ARG QD . . 5.500 5.528 5.504 5.547 0.047 6 0 "[ . 1 . 2]" 2
423 1 28 ARG H 1 28 ARG HD3 . . 4.690 4.461 4.012 4.693 0.003 19 0 "[ . 1 . 2]" 2
424 1 28 ARG H 1 28 ARG HD2 . . 4.760 4.243 3.925 4.785 0.025 14 0 "[ . 1 . 2]" 2
425 1 20 ARG H 1 20 ARG QD . . 5.220 4.915 4.548 5.076 . 0 0 "[ . 1 . 2]" 2
426 1 20 ARG HA 1 20 ARG QD . . 4.160 4.096 4.062 4.121 . 0 0 "[ . 1 . 2]" 2
427 1 25 ALA HA 1 28 ARG HD3 . . 3.850 2.287 2.065 2.796 . 0 0 "[ . 1 . 2]" 2
428 1 25 ALA HA 1 28 ARG HD2 . . 3.930 3.468 3.065 3.939 0.009 4 0 "[ . 1 . 2]" 2
429 1 20 ARG HB3 1 20 ARG QD . . 3.330 2.602 2.476 2.745 . 0 0 "[ . 1 . 2]" 2
430 1 10 LYS HB2 1 20 ARG QD . . 3.910 2.875 2.616 3.404 . 0 0 "[ . 1 . 2]" 2
431 1 20 ARG HB2 1 20 ARG QD . . 3.270 2.669 2.218 2.900 . 0 0 "[ . 1 . 2]" 2
432 1 13 LYS HG3 1 20 ARG QD . . 4.160 3.411 3.328 3.492 . 0 0 "[ . 1 . 2]" 2
433 1 24 VAL MG1 1 28 ARG HD2 . . 4.050 2.602 2.007 3.578 . 0 0 "[ . 1 . 2]" 2
434 1 24 VAL MG2 1 28 ARG HD2 . . 4.240 3.178 2.680 4.111 . 0 0 "[ . 1 . 2]" 2
435 1 24 VAL MG2 1 28 ARG HD3 . . 4.310 3.858 2.979 4.276 . 0 0 "[ . 1 . 2]" 2
436 1 16 THR H 1 16 THR MG . . 3.890 3.756 3.751 3.761 . 0 0 "[ . 1 . 2]" 2
437 1 31 VAL H 1 31 VAL MG2 . . 2.850 1.798 1.793 1.800 . 0 0 "[ . 1 . 2]" 2
438 1 31 VAL MG2 1 33 ILE H . . 4.650 4.479 4.453 4.496 . 0 0 "[ . 1 . 2]" 2
439 1 31 VAL MG2 1 34 HIS H . . 5.500 5.530 5.511 5.541 0.041 11 0 "[ . 1 . 2]" 2
440 1 29 ALA H 1 31 VAL MG2 . . 4.420 3.676 3.657 3.701 . 0 0 "[ . 1 . 2]" 2
441 1 30 HIS HD2 1 31 VAL MG2 . . 4.050 3.939 3.882 3.972 . 0 0 "[ . 1 . 2]" 2
442 1 31 VAL MG2 1 32 LEU H . . 3.250 2.419 2.398 2.451 . 0 0 "[ . 1 . 2]" 2
443 1 16 THR MG 1 17 CYS HA . . 3.860 3.706 3.657 3.747 . 0 0 "[ . 1 . 2]" 2
444 1 14 CYS HA 1 31 VAL MG2 . . 4.950 4.906 4.837 4.953 0.003 13 0 "[ . 1 . 2]" 2
445 1 29 ALA HA 1 31 VAL MG2 . . 4.450 3.984 3.971 3.996 . 0 0 "[ . 1 . 2]" 2
446 1 31 VAL MG2 1 32 LEU HA . . 4.760 3.987 3.977 4.011 . 0 0 "[ . 1 . 2]" 2
447 1 28 ARG HA 1 31 VAL MG2 . . 2.980 1.845 1.841 1.851 . 0 0 "[ . 1 . 2]" 2
448 1 16 THR MG 1 17 CYS HB2 . . 4.370 4.389 4.383 4.395 0.025 20 0 "[ . 1 . 2]" 2
449 1 16 THR MG 1 34 HIS QB . . 3.100 2.039 1.938 2.166 . 0 0 "[ . 1 . 2]" 2
450 1 27 LEU HA 1 31 VAL MG2 . . 4.400 4.078 4.063 4.096 . 0 0 "[ . 1 . 2]" 2
451 1 14 CYS HB2 1 31 VAL MG2 . . 4.590 4.573 4.509 4.614 0.024 6 0 "[ . 1 . 2]" 2
452 1 27 LEU HB3 1 31 VAL MG2 . . 4.620 4.574 4.548 4.588 . 0 0 "[ . 1 . 2]" 2
453 1 31 VAL MG2 1 32 LEU HG . . 3.710 2.808 2.770 2.844 . 0 0 "[ . 1 . 2]" 2
454 1 28 ARG HB3 1 31 VAL MG2 . . 3.970 3.884 3.873 3.892 . 0 0 "[ . 1 . 2]" 2
455 1 27 LEU HG 1 31 VAL MG2 . . 3.450 2.808 2.743 2.851 . 0 0 "[ . 1 . 2]" 2
456 1 27 LEU MD1 1 31 VAL MG2 . . 3.210 2.799 2.740 2.851 . 0 0 "[ . 1 . 2]" 2
457 1 24 VAL HA 1 28 ARG H . . 3.930 3.358 3.342 3.375 . 0 0 "[ . 1 . 2]" 2
458 1 21 PHE QD 1 24 VAL HA . . 5.500 5.390 5.370 5.404 . 0 0 "[ . 1 . 2]" 2
459 1 23 GLN H 1 24 VAL HA . . 5.500 5.127 5.119 5.138 . 0 0 "[ . 1 . 2]" 2
460 1 12 TYR QD 1 24 VAL HA . . 3.850 3.219 3.163 3.259 . 0 0 "[ . 1 . 2]" 2
461 1 24 VAL HA 1 27 LEU H . . 3.220 3.135 3.114 3.164 . 0 0 "[ . 1 . 2]" 2
462 1 24 VAL HA 1 27 LEU HB3 . . 3.090 2.501 2.484 2.511 . 0 0 "[ . 1 . 2]" 2
463 1 24 VAL HA 1 28 ARG HB3 . . 4.760 4.306 4.283 4.318 . 0 0 "[ . 1 . 2]" 2
464 1 24 VAL HA 1 28 ARG HG2 . . 5.210 4.609 4.549 4.700 . 0 0 "[ . 1 . 2]" 2
465 1 24 VAL HA 1 27 LEU HG . . 4.700 4.509 4.472 4.553 . 0 0 "[ . 1 . 2]" 2
466 1 24 VAL HA 1 24 VAL HB . . 2.940 2.648 2.646 2.652 . 0 0 "[ . 1 . 2]" 2
467 1 24 VAL HA 1 27 LEU HB2 . . 3.920 3.917 3.900 3.929 0.009 7 0 "[ . 1 . 2]" 2
468 1 24 VAL HA 1 27 LEU MD2 . . 3.640 3.508 3.433 3.578 . 0 0 "[ . 1 . 2]" 2
469 1 24 VAL HA 1 24 VAL MG1 . . 3.430 3.146 3.143 3.148 . 0 0 "[ . 1 . 2]" 2
470 1 24 VAL HA 1 24 VAL MG2 . . 2.940 2.029 1.993 2.048 . 0 0 "[ . 1 . 2]" 2
471 1 14 CYS H 1 21 PHE QD . . 4.130 4.022 3.945 4.066 . 0 0 "[ . 1 . 2]" 2
472 1 21 PHE QD 1 28 ARG H . . 5.500 5.465 5.450 5.477 . 0 0 "[ . 1 . 2]" 2
473 1 20 ARG H 1 21 PHE QD . . 4.570 3.892 3.871 3.919 . 0 0 "[ . 1 . 2]" 2
474 1 20 ARG HA 1 21 PHE QD . . 3.700 2.663 2.642 2.673 . 0 0 "[ . 1 . 2]" 2
475 1 13 LYS HA 1 21 PHE QD . . 4.330 3.506 3.459 3.553 . 0 0 "[ . 1 . 2]" 2
476 1 21 PHE QD 1 26 HIS HA . . 4.650 4.463 4.404 4.512 . 0 0 "[ . 1 . 2]" 2
477 1 21 PHE QD 1 26 HIS HB2 . . 3.490 2.710 2.681 2.771 . 0 0 "[ . 1 . 2]" 2
478 1 21 PHE QD 1 26 HIS HB3 . . 3.250 2.419 2.355 2.482 . 0 0 "[ . 1 . 2]" 2
479 1 10 LYS QE 1 21 PHE QD . . 4.950 4.532 4.370 4.704 . 0 0 "[ . 1 . 2]" 2
480 1 12 TYR HB2 1 21 PHE QD . . 4.160 3.392 3.348 3.427 . 0 0 "[ . 1 . 2]" 2
481 1 20 ARG HB3 1 21 PHE QD . . 4.560 4.520 4.504 4.531 . 0 0 "[ . 1 . 2]" 2
482 1 21 PHE QD 1 27 LEU HG . . 4.760 4.587 4.572 4.606 . 0 0 "[ . 1 . 2]" 2
483 1 10 LYS QD 1 21 PHE QD . . 4.570 4.329 4.264 4.417 . 0 0 "[ . 1 . 2]" 2
484 1 21 PHE QD 1 27 LEU HB2 . . 3.540 2.003 1.994 2.026 . 0 0 "[ . 1 . 2]" 2
485 1 10 LYS HA 1 10 LYS QE . . 4.600 4.451 4.378 4.544 . 0 0 "[ . 1 . 2]" 2
486 1 10 LYS QE 1 22 VAL H . . 4.570 3.110 2.820 3.347 . 0 0 "[ . 1 . 2]" 2
487 1 14 CYS HA 1 19 ALA MB . . 4.780 4.500 4.404 4.609 . 0 0 "[ . 1 . 2]" 2
488 1 18 GLY HA3 1 19 ALA MB . . 5.120 4.839 4.829 4.855 . 0 0 "[ . 1 . 2]" 2
489 1 24 VAL MG1 1 25 ALA HA . . 3.780 2.763 2.718 2.794 . 0 0 "[ . 1 . 2]" 2
490 1 18 GLY HA2 1 19 ALA MB . . 4.810 4.729 4.704 4.740 . 0 0 "[ . 1 . 2]" 2
491 1 10 LYS QE 1 10 LYS HG2 . . 3.080 2.210 2.086 2.305 . 0 0 "[ . 1 . 2]" 2
492 1 10 LYS QE 1 21 PHE H . . 4.560 4.218 4.112 4.329 . 0 0 "[ . 1 . 2]" 2
493 1 19 ALA MB 1 21 PHE H . . 5.500 5.316 5.242 5.344 . 0 0 "[ . 1 . 2]" 2
494 1 24 VAL MG1 1 25 ALA H . . 3.080 1.874 1.853 1.911 . 0 0 "[ . 1 . 2]" 2
495 1 13 LYS QE 1 19 ALA H . . 5.030 4.759 4.649 4.827 . 0 0 "[ . 1 . 2]" 2
496 1 24 VAL MG1 1 28 ARG H . . 4.410 3.988 3.966 4.014 . 0 0 "[ . 1 . 2]" 2
497 1 13 LYS QE 1 18 GLY H . . 4.550 4.291 4.141 4.351 . 0 0 "[ . 1 . 2]" 2
498 1 19 ALA MB 1 30 HIS HE1 . . 3.610 3.450 3.319 3.511 . 0 0 "[ . 1 . 2]" 2
499 1 12 TYR H 1 22 VAL HA . . 4.370 4.111 4.068 4.158 . 0 0 "[ . 1 . 2]" 2
500 1 19 ALA MB 1 21 PHE QD . . 4.060 3.844 3.749 3.913 . 0 0 "[ . 1 . 2]" 2
501 1 19 ALA MB 1 30 HIS HD2 . . 4.180 3.313 3.263 3.444 . 0 0 "[ . 1 . 2]" 2
502 1 12 TYR QE 1 24 VAL MG1 . . 3.800 3.712 3.704 3.770 . 0 0 "[ . 1 . 2]" 2
503 1 19 ALA MB 1 21 PHE QE . . 3.090 2.089 1.975 2.264 . 0 0 "[ . 1 . 2]" 2
504 1 19 ALA MB 1 21 PHE HZ . . 3.220 2.577 2.507 2.618 . 0 0 "[ . 1 . 2]" 2
505 1 10 LYS QE 1 20 ARG HA . . 5.500 5.383 5.177 5.521 0.021 3 0 "[ . 1 . 2]" 2
506 1 13 LYS HA 1 13 LYS QE . . 5.050 4.795 4.754 4.932 . 0 0 "[ . 1 . 2]" 2
507 1 13 LYS HA 1 19 ALA MB . . 4.670 4.485 4.456 4.524 . 0 0 "[ . 1 . 2]" 2
508 1 10 LYS HA 1 22 VAL HA . . 3.180 2.557 2.418 2.665 . 0 0 "[ . 1 . 2]" 2
509 1 13 LYS QE 1 15 GLU HA . . 3.600 2.585 2.472 3.245 . 0 0 "[ . 1 . 2]" 2
510 1 11 PRO QD 1 22 VAL HA . . 2.910 2.067 2.020 2.129 . 0 0 "[ . 1 . 2]" 2
511 1 19 ALA MB 1 27 LEU HA . . 5.180 4.688 4.640 4.740 . 0 0 "[ . 1 . 2]" 2
512 1 19 ALA MB 1 30 HIS HB3 . . 5.490 4.501 4.443 4.568 . 0 0 "[ . 1 . 2]" 2
513 1 24 VAL MG1 1 28 ARG HD3 . . 3.930 2.542 1.974 2.941 . 0 0 "[ . 1 . 2]" 2
514 1 10 LYS QE 1 22 VAL HA . . 5.020 4.326 4.203 4.449 . 0 0 "[ . 1 . 2]" 2
515 1 14 CYS HB2 1 19 ALA MB . . 3.500 2.682 2.541 2.861 . 0 0 "[ . 1 . 2]" 2
516 1 23 GLN HB3 1 24 VAL MG1 . . 4.100 3.876 3.854 3.908 . 0 0 "[ . 1 . 2]" 2
517 1 11 PRO HG3 1 22 VAL HA . . 4.500 4.250 4.148 4.347 . 0 0 "[ . 1 . 2]" 2
518 1 10 LYS QE 1 20 ARG HB3 . . 4.760 4.020 3.856 4.208 . 0 0 "[ . 1 . 2]" 2
519 1 19 ALA MB 1 20 ARG HG3 . . 4.730 4.472 4.401 4.525 . 0 0 "[ . 1 . 2]" 2
520 1 24 VAL MG1 1 28 ARG HB3 . . 4.020 3.351 3.335 3.371 . 0 0 "[ . 1 . 2]" 2
521 1 24 VAL MG1 1 28 ARG HG3 . . 4.550 4.394 4.330 4.477 . 0 0 "[ . 1 . 2]" 2
522 1 19 ALA MB 1 31 VAL MG1 . . 5.310 4.412 4.338 4.461 . 0 0 "[ . 1 . 2]" 2
523 1 10 LYS HB3 1 22 VAL HA . . 3.950 3.623 3.520 3.742 . 0 0 "[ . 1 . 2]" 2
524 1 22 VAL HA 1 22 VAL MG2 . . 3.020 2.486 2.444 2.509 . 0 0 "[ . 1 . 2]" 2
525 1 13 LYS QE 1 18 GLY HA3 . . 3.810 3.532 3.404 3.639 . 0 0 "[ . 1 . 2]" 2
526 1 13 LYS QE 1 18 GLY HA2 . . 3.590 2.299 2.117 2.492 . 0 0 "[ . 1 . 2]" 2
527 1 13 LYS QE 1 13 LYS HG2 . . 3.470 2.200 2.087 2.325 . 0 0 "[ . 1 . 2]" 2
528 1 32 LEU HB3 1 33 ILE H . . 4.230 4.127 4.106 4.159 . 0 0 "[ . 1 . 2]" 2
529 1 32 LEU H 1 32 LEU HB3 . . 3.620 3.589 3.587 3.591 . 0 0 "[ . 1 . 2]" 2
530 1 10 LYS HA 1 11 PRO HA . . 4.540 4.497 4.479 4.512 . 0 0 "[ . 1 . 2]" 2
531 1 31 VAL MG2 1 32 LEU HB3 . . 5.200 5.053 5.031 5.075 . 0 0 "[ . 1 . 2]" 2
532 1 31 VAL MG2 1 32 LEU HB2 . . 4.750 4.549 4.534 4.571 . 0 0 "[ . 1 . 2]" 2
533 1 14 CYS HA 1 21 PHE QE . . 4.780 4.425 4.347 4.521 . 0 0 "[ . 1 . 2]" 2
534 1 21 PHE QE 1 31 VAL MG1 . . 4.570 4.218 4.181 4.250 . 0 0 "[ . 1 . 2]" 2
535 1 32 LEU HB2 1 33 ILE MG . . 4.550 3.590 3.568 3.620 . 0 0 "[ . 1 . 2]" 2
536 1 21 PHE H 1 21 PHE QE . . 4.700 4.698 4.678 4.707 0.007 15 0 "[ . 1 . 2]" 2
537 1 19 ALA H 1 21 PHE QE . . 4.490 4.484 4.460 4.496 0.006 19 0 "[ . 1 . 2]" 2
538 1 21 PHE QE 1 30 HIS HE1 . . 5.080 5.049 5.002 5.088 0.008 6 0 "[ . 1 . 2]" 2
539 1 13 LYS HA 1 21 PHE QE . . 4.820 4.199 4.133 4.249 . 0 0 "[ . 1 . 2]" 2
540 1 21 PHE QE 1 30 HIS HA . . 5.310 5.005 4.978 5.032 . 0 0 "[ . 1 . 2]" 2
541 1 21 PHE QE 1 27 LEU HB2 . . 4.550 3.338 3.328 3.359 . 0 0 "[ . 1 . 2]" 2
542 1 25 ALA MB 1 28 ARG H . . 5.200 5.220 5.213 5.229 0.029 8 0 "[ . 1 . 2]" 2
543 1 12 TYR QD 1 27 LEU HB2 . . 4.640 4.610 4.577 4.628 . 0 0 "[ . 1 . 2]" 2
544 1 32 LEU H 1 33 ILE HA . . 5.350 5.091 5.076 5.102 . 0 0 "[ . 1 . 2]" 2
545 1 29 ALA MB 1 30 HIS HB3 . . 4.610 4.439 4.400 4.478 . 0 0 "[ . 1 . 2]" 2
546 1 23 GLN HG3 1 25 ALA MB . . 4.810 4.560 4.482 4.658 . 0 0 "[ . 1 . 2]" 2
547 1 33 ILE HA 1 33 ILE HB . . 2.740 2.396 2.391 2.402 . 0 0 "[ . 1 . 2]" 2
548 1 32 LEU HB3 1 33 ILE HA . . 5.030 4.780 4.752 4.808 . 0 0 "[ . 1 . 2]" 2
549 1 33 ILE HA 1 35 THR MG . . 5.410 5.104 4.961 5.247 . 0 0 "[ . 1 . 2]" 2
550 1 33 ILE HA 1 33 ILE HG12 . . 3.780 3.673 3.670 3.677 . 0 0 "[ . 1 . 2]" 2
551 1 33 ILE HA 1 33 ILE HG13 . . 3.760 3.747 3.740 3.752 . 0 0 "[ . 1 . 2]" 2
552 1 33 ILE HA 1 33 ILE MG . . 2.910 2.478 2.471 2.485 . 0 0 "[ . 1 . 2]" 2
553 1 13 LYS H 1 27 LEU HB3 . . 5.500 5.510 5.500 5.516 0.016 10 0 "[ . 1 . 2]" 2
554 1 21 PHE H 1 27 LEU HB3 . . 5.500 5.508 5.484 5.518 0.018 4 0 "[ . 1 . 2]" 2
555 1 27 LEU HB2 1 28 ARG H . . 4.020 3.846 3.831 3.861 . 0 0 "[ . 1 . 2]" 2
556 1 29 ALA MB 1 30 HIS H . . 3.130 3.108 3.088 3.131 0.001 14 0 "[ . 1 . 2]" 2
557 1 23 GLN H 1 25 ALA MB . . 5.500 5.435 5.381 5.482 . 0 0 "[ . 1 . 2]" 2
558 1 25 ALA MB 1 29 ALA H . . 5.500 5.161 5.106 5.200 . 0 0 "[ . 1 . 2]" 2
559 1 21 PHE QD 1 27 LEU HB3 . . 4.020 3.698 3.692 3.718 . 0 0 "[ . 1 . 2]" 2
560 1 25 ALA MB 1 26 HIS HD2 . . 3.110 2.080 1.975 2.295 . 0 0 "[ . 1 . 2]" 2
561 1 26 HIS H 1 29 ALA MB . . 5.180 4.428 4.366 4.479 . 0 0 "[ . 1 . 2]" 2
562 1 26 HIS HD2 1 29 ALA MB . . 5.500 4.530 4.482 4.563 . 0 0 "[ . 1 . 2]" 2
563 1 26 HIS HA 1 29 ALA MB . . 3.130 2.563 2.538 2.597 . 0 0 "[ . 1 . 2]" 2
564 1 25 ALA MB 1 26 HIS HA . . 4.090 3.833 3.801 3.888 . 0 0 "[ . 1 . 2]" 2
565 1 25 ALA MB 1 26 HIS HB2 . . 5.040 4.890 4.840 4.926 . 0 0 "[ . 1 . 2]" 2
566 1 26 HIS HB2 1 29 ALA MB . . 5.150 4.977 4.948 5.002 . 0 0 "[ . 1 . 2]" 2
567 1 26 HIS HB3 1 29 ALA MB . . 4.530 4.430 4.395 4.464 . 0 0 "[ . 1 . 2]" 2
568 1 25 ALA MB 1 26 HIS HB3 . . 5.240 5.176 5.148 5.224 . 0 0 "[ . 1 . 2]" 2
569 1 25 ALA MB 1 28 ARG HD3 . . 4.540 3.633 3.412 4.175 . 0 0 "[ . 1 . 2]" 2
570 1 24 VAL HA 1 25 ALA MB . . 5.240 4.981 4.974 4.998 . 0 0 "[ . 1 . 2]" 2
571 1 29 ALA MB 1 30 HIS HB2 . . 4.480 4.410 4.383 4.435 . 0 0 "[ . 1 . 2]" 2
572 1 23 GLN HG2 1 25 ALA MB . . 5.500 5.393 5.321 5.476 . 0 0 "[ . 1 . 2]" 2
573 1 23 GLN HB3 1 25 ALA MB . . 3.580 2.895 2.750 3.067 . 0 0 "[ . 1 . 2]" 2
574 1 25 ALA MB 1 28 ARG HG2 . . 4.070 3.901 3.875 3.932 . 0 0 "[ . 1 . 2]" 2
575 1 27 LEU HB3 1 28 ARG HB3 . . 4.380 4.217 4.197 4.227 . 0 0 "[ . 1 . 2]" 2
576 1 29 ALA MB 1 32 LEU MD1 . . 3.640 3.274 3.211 3.349 . 0 0 "[ . 1 . 2]" 2
577 1 23 GLN HB2 1 25 ALA MB . . 4.060 3.866 3.737 3.947 . 0 0 "[ . 1 . 2]" 2
578 1 24 VAL MG1 1 27 LEU HB3 . . 4.780 4.784 4.764 4.791 0.011 4 0 "[ . 1 . 2]" 2
579 1 24 VAL MG1 1 25 ALA MB . . 3.670 3.009 2.947 3.058 . 0 0 "[ . 1 . 2]" 2
580 1 24 VAL MG2 1 25 ALA MB . . 5.190 4.899 4.887 4.911 . 0 0 "[ . 1 . 2]" 2
581 1 34 HIS H 1 35 THR HA . . 5.300 5.254 5.172 5.306 0.006 13 0 "[ . 1 . 2]" 2
582 1 34 HIS QB 1 35 THR HA . . 4.320 3.796 3.717 3.883 . 0 0 "[ . 1 . 2]" 2
583 1 35 THR HA 1 35 THR MG . . 3.330 3.205 3.191 3.208 . 0 0 "[ . 1 . 2]" 2
584 1 21 PHE HZ 1 31 VAL H . . 5.120 5.127 5.113 5.134 0.014 4 0 "[ . 1 . 2]" 2
585 1 21 PHE HZ 1 30 HIS HD2 . . 4.380 3.053 2.989 3.162 . 0 0 "[ . 1 . 2]" 2
586 1 21 PHE HZ 1 30 HIS HB3 . . 4.040 2.639 2.588 2.680 . 0 0 "[ . 1 . 2]" 2
587 1 21 PHE HZ 1 30 HIS HB2 . . 3.620 3.005 2.909 3.066 . 0 0 "[ . 1 . 2]" 2
588 1 21 PHE HZ 1 31 VAL MG1 . . 5.170 4.977 4.944 5.029 . 0 0 "[ . 1 . 2]" 2
589 1 21 PHE HZ 1 30 HIS HA . . 5.070 4.936 4.878 4.973 . 0 0 "[ . 1 . 2]" 2
590 1 12 TYR HB3 1 13 LYS H . . 3.640 3.232 3.189 3.288 . 0 0 "[ . 1 . 2]" 2
591 1 12 TYR HB2 1 21 PHE H . . 3.730 3.177 3.128 3.231 . 0 0 "[ . 1 . 2]" 2
592 1 12 TYR HB3 1 21 PHE QD . . 4.300 3.989 3.955 4.045 . 0 0 "[ . 1 . 2]" 2
593 1 12 TYR HB3 1 27 LEU H . . 5.230 4.621 4.591 4.663 . 0 0 "[ . 1 . 2]" 2
594 1 12 TYR HB2 1 27 LEU HA . . 5.320 5.300 5.258 5.322 0.002 16 0 "[ . 1 . 2]" 2
595 1 12 TYR HB3 1 27 LEU HB3 . . 3.920 2.855 2.819 2.895 . 0 0 "[ . 1 . 2]" 2
596 1 12 TYR HB2 1 27 LEU HB3 . . 4.150 3.392 3.330 3.425 . 0 0 "[ . 1 . 2]" 2
597 1 12 TYR HB3 1 27 LEU HG . . 4.280 4.011 3.967 4.064 . 0 0 "[ . 1 . 2]" 2
598 1 11 PRO HG2 1 12 TYR HB2 . . 4.410 4.071 4.042 4.115 . 0 0 "[ . 1 . 2]" 2
599 1 12 TYR HB2 1 24 VAL HB . . 5.500 5.385 5.347 5.461 . 0 0 "[ . 1 . 2]" 2
600 1 12 TYR HB3 1 27 LEU HB2 . . 3.680 3.055 3.010 3.089 . 0 0 "[ . 1 . 2]" 2
601 1 12 TYR HB2 1 27 LEU HB2 . . 3.840 3.048 3.013 3.073 . 0 0 "[ . 1 . 2]" 2
602 1 12 TYR HB2 1 27 LEU MD2 . . 3.460 2.823 2.777 2.870 . 0 0 "[ . 1 . 2]" 2
603 1 31 VAL H 1 33 ILE MG . . 4.850 4.514 4.500 4.522 . 0 0 "[ . 1 . 2]" 2
604 1 33 ILE MG 1 34 HIS HE1 . . 5.470 5.367 5.260 5.433 . 0 0 "[ . 1 . 2]" 2
605 1 33 ILE H 1 33 ILE MG . . 3.060 1.880 1.868 1.904 . 0 0 "[ . 1 . 2]" 2
606 1 33 ILE MG 1 34 HIS H . . 3.820 3.724 3.709 3.740 . 0 0 "[ . 1 . 2]" 2
607 1 32 LEU H 1 33 ILE MG . . 4.120 3.581 3.553 3.604 . 0 0 "[ . 1 . 2]" 2
608 1 30 HIS HA 1 33 ILE MG . . 3.650 2.587 2.578 2.592 . 0 0 "[ . 1 . 2]" 2
609 1 31 VAL HA 1 33 ILE MG . . 4.520 4.333 4.307 4.349 . 0 0 "[ . 1 . 2]" 2
610 1 29 ALA MB 1 33 ILE MG . . 5.500 5.210 5.185 5.237 . 0 0 "[ . 1 . 2]" 2
611 1 31 VAL MG1 1 33 ILE MG . . 5.500 5.363 5.341 5.384 . 0 0 "[ . 1 . 2]" 2
612 1 30 HIS HE1 1 33 ILE MG . . 4.140 4.040 3.986 4.136 . 0 0 "[ . 1 . 2]" 2
613 1 33 ILE MG 1 34 HIS QB . . 5.500 5.520 5.510 5.536 0.036 15 0 "[ . 1 . 2]" 2
614 1 30 HIS HB2 1 33 ILE MG . . 4.720 3.985 3.952 4.030 . 0 0 "[ . 1 . 2]" 2
615 1 32 LEU HB3 1 33 ILE MG . . 4.920 4.842 4.804 4.885 . 0 0 "[ . 1 . 2]" 2
616 1 33 ILE H 1 34 HIS HD2 . . 4.830 4.002 3.925 4.047 . 0 0 "[ . 1 . 2]" 2
617 1 16 THR H 1 34 HIS HD2 . . 5.500 5.445 5.390 5.503 0.003 6 0 "[ . 1 . 2]" 2
618 1 31 VAL H 1 34 HIS HD2 . . 4.950 4.892 4.833 4.948 . 0 0 "[ . 1 . 2]" 2
619 1 34 HIS QB 1 34 HIS HD2 . . 2.910 2.718 2.712 2.727 . 0 0 "[ . 1 . 2]" 2
620 1 31 VAL HB 1 34 HIS HD2 . . 3.920 3.767 3.711 3.848 . 0 0 "[ . 1 . 2]" 2
621 1 33 ILE HB 1 34 HIS HD2 . . 5.500 5.496 5.463 5.507 0.007 2 0 "[ . 1 . 2]" 2
622 1 31 VAL MG2 1 34 HIS HD2 . . 4.750 4.693 4.650 4.738 . 0 0 "[ . 1 . 2]" 2
623 1 33 ILE HG12 1 34 HIS HD2 . . 4.480 2.654 2.624 2.679 . 0 0 "[ . 1 . 2]" 2
624 1 33 ILE HG13 1 34 HIS HD2 . . 5.250 3.481 3.445 3.515 . 0 0 "[ . 1 . 2]" 2
625 1 16 THR MG 1 34 HIS HD2 . . 3.820 2.688 2.604 2.788 . 0 0 "[ . 1 . 2]" 2
626 1 30 HIS HD2 1 31 VAL H . . 3.670 3.171 3.080 3.210 . 0 0 "[ . 1 . 2]" 2
627 1 21 PHE QE 1 30 HIS HD2 . . 3.410 3.351 3.295 3.411 0.001 20 0 "[ . 1 . 2]" 2
628 1 14 CYS HB3 1 30 HIS HD2 . . 3.980 3.769 3.725 3.846 . 0 0 "[ . 1 . 2]" 2
629 1 30 HIS HB3 1 30 HIS HD2 . . 3.490 2.866 2.855 2.881 . 0 0 "[ . 1 . 2]" 2
630 1 14 CYS HB2 1 30 HIS HD2 . . 3.030 2.758 2.703 2.828 . 0 0 "[ . 1 . 2]" 2
631 1 33 ILE H 1 33 ILE HB . . 3.800 3.608 3.607 3.610 . 0 0 "[ . 1 . 2]" 2
632 1 21 PHE QD 1 30 HIS HD2 . . 5.410 5.368 5.317 5.412 0.002 6 0 "[ . 1 . 2]" 2
633 1 14 CYS HA 1 30 HIS HD2 . . 4.950 4.856 4.820 4.898 . 0 0 "[ . 1 . 2]" 2
634 1 30 HIS HA 1 30 HIS HD2 . . 4.570 4.454 4.435 4.473 . 0 0 "[ . 1 . 2]" 2
635 1 30 HIS HA 1 33 ILE HB . . 5.500 5.533 5.521 5.542 0.042 12 0 "[ . 1 . 2]" 2
636 1 27 LEU HG 1 30 HIS HD2 . . 5.360 5.162 5.095 5.232 . 0 0 "[ . 1 . 2]" 2
637 1 30 HIS HA 1 33 ILE H . . 4.170 3.724 3.701 3.754 . 0 0 "[ . 1 . 2]" 2
638 1 29 ALA H 1 30 HIS HA . . 5.100 4.907 4.891 4.924 . 0 0 "[ . 1 . 2]" 2
639 1 30 HIS HA 1 32 LEU H . . 4.150 3.697 3.674 3.716 . 0 0 "[ . 1 . 2]" 2
640 1 28 ARG HA 1 32 LEU H . . 4.980 4.820 4.800 4.835 . 0 0 "[ . 1 . 2]" 2
641 1 28 ARG HA 1 29 ALA HA . . 4.860 4.642 4.634 4.649 . 0 0 "[ . 1 . 2]" 2
642 1 28 ARG HA 1 28 ARG HD2 . . 4.950 4.666 4.556 4.750 . 0 0 "[ . 1 . 2]" 2
643 1 30 HIS HA 1 30 HIS HB2 . . 2.860 2.299 2.296 2.303 . 0 0 "[ . 1 . 2]" 2
644 1 28 ARG HA 1 31 VAL HB . . 4.430 4.442 4.427 4.454 0.024 8 0 "[ . 1 . 2]" 2
645 1 27 LEU HB3 1 28 ARG HA . . 4.620 4.499 4.486 4.507 . 0 0 "[ . 1 . 2]" 2
646 1 28 ARG HA 1 28 ARG HB2 . . 2.990 2.357 2.351 2.362 . 0 0 "[ . 1 . 2]" 2
647 1 30 HIS HA 1 32 LEU HB2 . . 4.780 4.543 4.523 4.569 . 0 0 "[ . 1 . 2]" 2
648 1 27 LEU HG 1 28 ARG HA . . 3.270 3.153 3.130 3.178 . 0 0 "[ . 1 . 2]" 2
649 1 29 ALA MB 1 30 HIS HA . . 4.260 4.020 3.990 4.033 . 0 0 "[ . 1 . 2]" 2
650 1 28 ARG HA 1 31 VAL MG1 . . 3.940 3.752 3.708 3.772 . 0 0 "[ . 1 . 2]" 2
651 1 30 HIS HA 1 31 VAL MG2 . . 4.670 4.580 4.571 4.586 . 0 0 "[ . 1 . 2]" 2
652 1 27 LEU MD1 1 28 ARG HA . . 4.350 3.991 3.938 4.071 . 0 0 "[ . 1 . 2]" 2
653 1 30 HIS HA 1 33 ILE HG12 . . 4.680 4.553 4.539 4.569 . 0 0 "[ . 1 . 2]" 2
654 1 24 VAL MG1 1 28 ARG HA . . 5.500 5.521 5.516 5.528 0.028 14 0 "[ . 1 . 2]" 2
655 1 30 HIS HA 1 33 ILE MD . . 3.880 3.674 3.629 3.710 . 0 0 "[ . 1 . 2]" 2
656 1 24 VAL MG2 1 28 ARG HA . . 4.890 4.364 4.342 4.397 . 0 0 "[ . 1 . 2]" 2
657 1 31 VAL MG1 1 33 ILE MD . . 4.780 4.644 4.590 4.696 . 0 0 "[ . 1 . 2]" 2
658 1 31 VAL H 1 33 ILE MD . . 4.930 4.807 4.794 4.828 . 0 0 "[ . 1 . 2]" 2
659 1 33 ILE H 1 33 ILE MD . . 3.830 3.468 3.461 3.478 . 0 0 "[ . 1 . 2]" 2
660 1 33 ILE MD 1 34 HIS H . . 4.450 3.557 3.541 3.625 . 0 0 "[ . 1 . 2]" 2
661 1 33 ILE MD 1 34 HIS HD2 . . 4.530 3.506 3.471 3.551 . 0 0 "[ . 1 . 2]" 2
662 1 33 ILE HA 1 33 ILE MD . . 4.250 4.175 4.173 4.177 . 0 0 "[ . 1 . 2]" 2
663 1 33 ILE MD 1 34 HIS QB . . 4.820 4.565 4.549 4.588 . 0 0 "[ . 1 . 2]" 2
664 1 33 ILE HB 1 33 ILE MD . . 2.980 2.498 2.489 2.507 . 0 0 "[ . 1 . 2]" 2
665 1 13 LYS HB3 1 14 CYS H . . 4.320 4.155 4.114 4.193 . 0 0 "[ . 1 . 2]" 2
666 1 13 LYS HB2 1 14 CYS H . . 4.320 3.995 3.974 4.023 . 0 0 "[ . 1 . 2]" 2
667 1 13 LYS HB3 1 20 ARG HA . . 5.030 4.831 4.796 4.862 . 0 0 "[ . 1 . 2]" 2
668 1 13 LYS HB2 1 20 ARG HA . . 5.030 3.666 3.620 3.719 . 0 0 "[ . 1 . 2]" 2
669 1 13 LYS HB3 1 13 LYS QE . . 4.270 3.669 3.597 3.944 . 0 0 "[ . 1 . 2]" 2
670 1 13 LYS HB2 1 13 LYS QE . . 4.270 4.189 4.163 4.291 0.021 20 0 "[ . 1 . 2]" 2
671 1 30 HIS HB2 1 33 ILE MD . . 5.010 4.136 4.110 4.166 . 0 0 "[ . 1 . 2]" 2
672 1 13 LYS HB2 1 13 LYS HD3 . . 4.070 3.067 3.015 3.265 . 0 0 "[ . 1 . 2]" 2
673 1 13 LYS HB3 1 13 LYS HD3 . . 4.070 2.116 2.094 2.207 . 0 0 "[ . 1 . 2]" 2
674 1 13 LYS HB3 1 20 ARG HG2 . . 4.290 3.920 3.823 3.985 . 0 0 "[ . 1 . 2]" 2
675 1 13 LYS HB2 1 20 ARG HG2 . . 4.290 2.199 2.106 2.265 . 0 0 "[ . 1 . 2]" 2
676 1 9 GLU HA 1 9 GLU HG2 . . 4.190 3.708 3.595 4.235 0.045 18 0 "[ . 1 . 2]" 2
677 1 9 GLU HG3 1 10 LYS HG3 . . 4.930 4.342 3.860 4.809 . 0 0 "[ . 1 . 2]" 2
678 1 9 GLU HG3 1 10 LYS HG2 . . 5.440 4.333 4.060 4.513 . 0 0 "[ . 1 . 2]" 2
679 1 9 GLU HG3 1 22 VAL MG2 . . 5.500 4.655 3.832 5.067 . 0 0 "[ . 1 . 2]" 2
680 1 15 GLU HG2 1 16 THR H . . 4.930 4.898 4.877 4.919 . 0 0 "[ . 1 . 2]" 2
681 1 15 GLU HA 1 18 GLY H . . 4.420 3.995 3.963 4.044 . 0 0 "[ . 1 . 2]" 2
682 1 14 CYS HA 1 15 GLU HA . . 4.420 4.403 4.401 4.406 . 0 0 "[ . 1 . 2]" 2
683 1 14 CYS HA 1 15 GLU HG2 . . 5.000 4.816 4.781 4.860 . 0 0 "[ . 1 . 2]" 2
684 1 15 GLU HA 1 18 GLY HA3 . . 5.010 4.901 4.856 4.950 . 0 0 "[ . 1 . 2]" 2
685 1 15 GLU HA 1 15 GLU HG3 . . 3.730 3.334 3.307 3.359 . 0 0 "[ . 1 . 2]" 2
686 1 15 GLU HA 1 15 GLU HG2 . . 3.380 2.492 2.483 2.502 . 0 0 "[ . 1 . 2]" 2
687 1 15 GLU HA 1 15 GLU HB3 . . 2.990 2.439 2.437 2.441 . 0 0 "[ . 1 . 2]" 2
688 1 15 GLU H 1 15 GLU HG2 . . 4.690 3.171 3.129 3.207 . 0 0 "[ . 1 . 2]" 2
689 1 16 THR H 1 17 CYS HA . . 5.380 5.314 5.301 5.336 . 0 0 "[ . 1 . 2]" 2
690 1 14 CYS HA 1 15 GLU HG3 . . 4.900 3.992 3.971 4.019 . 0 0 "[ . 1 . 2]" 2
691 1 15 GLU HA 1 18 GLY HA2 . . 4.960 3.441 3.399 3.484 . 0 0 "[ . 1 . 2]" 2
692 1 16 THR HB 1 17 CYS HA . . 4.850 4.783 4.734 4.823 . 0 0 "[ . 1 . 2]" 2
693 1 13 LYS HD3 1 15 GLU HA . . 4.990 4.741 4.358 4.839 . 0 0 "[ . 1 . 2]" 2
694 1 13 LYS HG2 1 15 GLU HA . . 4.150 3.876 3.849 3.940 . 0 0 "[ . 1 . 2]" 2
695 1 27 LEU HA 1 30 HIS H . . 3.690 3.256 3.248 3.272 . 0 0 "[ . 1 . 2]" 2
696 1 21 PHE QD 1 27 LEU HA . . 3.540 3.161 3.137 3.184 . 0 0 "[ . 1 . 2]" 2
697 1 27 LEU HA 1 30 HIS HD2 . . 4.220 4.068 4.022 4.122 . 0 0 "[ . 1 . 2]" 2
698 1 21 PHE QE 1 27 LEU HA . . 3.570 3.015 2.994 3.040 . 0 0 "[ . 1 . 2]" 2
699 1 21 PHE HZ 1 27 LEU HA . . 4.680 3.486 3.455 3.511 . 0 0 "[ . 1 . 2]" 2
700 1 27 LEU HA 1 30 HIS HA . . 5.350 5.306 5.284 5.319 . 0 0 "[ . 1 . 2]" 2
701 1 27 LEU HA 1 28 ARG HA . . 4.970 4.796 4.792 4.802 . 0 0 "[ . 1 . 2]" 2
702 1 21 PHE HB3 1 27 LEU HA . . 4.520 4.488 4.470 4.504 . 0 0 "[ . 1 . 2]" 2
703 1 26 HIS HB2 1 27 LEU HA . . 4.540 4.056 4.036 4.070 . 0 0 "[ . 1 . 2]" 2
704 1 27 LEU HA 1 30 HIS HB2 . . 4.110 3.986 3.951 4.013 . 0 0 "[ . 1 . 2]" 2
705 1 21 PHE HB2 1 27 LEU HA . . 4.380 3.893 3.874 3.908 . 0 0 "[ . 1 . 2]" 2
706 1 27 LEU HA 1 27 LEU HG . . 3.650 3.407 3.371 3.430 . 0 0 "[ . 1 . 2]" 2
707 1 27 LEU HA 1 31 VAL MG1 . . 4.530 4.265 4.207 4.365 . 0 0 "[ . 1 . 2]" 2
708 1 9 GLU HA 1 10 LYS HA . . 4.520 4.373 4.348 4.403 . 0 0 "[ . 1 . 2]" 2
709 1 8 GLY QA 1 9 GLU HA . . 4.920 3.984 3.932 4.142 . 0 0 "[ . 1 . 2]" 2
710 1 9 GLU HA 1 11 PRO QD . . 5.030 4.832 4.686 4.976 . 0 0 "[ . 1 . 2]" 2
711 1 9 GLU HA 1 10 LYS HG3 . . 4.080 3.974 3.886 4.069 . 0 0 "[ . 1 . 2]" 2
712 1 31 VAL H 1 32 LEU HA . . 5.440 5.176 5.160 5.195 . 0 0 "[ . 1 . 2]" 2
713 1 32 LEU HA 1 34 HIS H . . 4.220 4.202 4.127 4.228 0.008 1 0 "[ . 1 . 2]" 2
714 1 32 LEU HA 1 32 LEU HG . . 3.480 3.213 3.181 3.232 . 0 0 "[ . 1 . 2]" 2
715 1 32 LEU HA 1 32 LEU HB3 . . 3.000 2.394 2.386 2.402 . 0 0 "[ . 1 . 2]" 2
716 1 32 LEU HA 1 35 THR MG . . 3.780 1.887 1.811 1.982 . 0 0 "[ . 1 . 2]" 2
717 1 32 LEU HA 1 32 LEU MD1 . . 4.010 3.923 3.905 3.940 . 0 0 "[ . 1 . 2]" 2
718 1 14 CYS H 1 20 ARG HB3 . . 5.500 5.460 5.418 5.504 0.004 2 0 "[ . 1 . 2]" 2
719 1 20 ARG HB2 1 21 PHE H . . 4.000 3.875 3.841 3.897 . 0 0 "[ . 1 . 2]" 2
720 1 20 ARG H 1 20 ARG HB3 . . 4.050 3.835 3.819 3.860 . 0 0 "[ . 1 . 2]" 2
721 1 13 LYS HA 1 20 ARG HB3 . . 4.350 4.032 3.978 4.061 . 0 0 "[ . 1 . 2]" 2
722 1 13 LYS HA 1 20 ARG HB2 . . 4.650 4.600 4.569 4.625 . 0 0 "[ . 1 . 2]" 2
723 1 19 ALA HA 1 20 ARG HB2 . . 4.370 4.230 4.200 4.278 . 0 0 "[ . 1 . 2]" 2
724 1 10 LYS HG2 1 20 ARG HB3 . . 4.290 4.046 3.987 4.164 . 0 0 "[ . 1 . 2]" 2
725 1 19 ALA MB 1 20 ARG HB3 . . 5.500 5.328 5.286 5.349 . 0 0 "[ . 1 . 2]" 2
726 1 19 ALA MB 1 20 ARG HB2 . . 4.800 4.512 4.485 4.559 . 0 0 "[ . 1 . 2]" 2
727 1 26 HIS HA 1 29 ALA H . . 3.790 3.666 3.645 3.682 . 0 0 "[ . 1 . 2]" 2
728 1 21 PHE HB3 1 26 HIS HA . . 5.060 4.987 4.927 5.026 . 0 0 "[ . 1 . 2]" 2
729 1 23 GLN HG2 1 24 VAL H . . 4.570 4.369 4.297 4.446 . 0 0 "[ . 1 . 2]" 2
730 1 10 LYS HB2 1 12 TYR H . . 5.090 4.803 4.700 4.879 . 0 0 "[ . 1 . 2]" 2
731 1 23 GLN H 1 23 GLN HG2 . . 3.960 3.553 3.510 3.610 . 0 0 "[ . 1 . 2]" 2
732 1 12 TYR QE 1 23 GLN HG2 . . 4.400 3.836 3.735 3.924 . 0 0 "[ . 1 . 2]" 2
733 1 10 LYS HB2 1 22 VAL HA . . 5.230 4.989 4.895 5.058 . 0 0 "[ . 1 . 2]" 2
734 1 9 GLU HA 1 10 LYS HB2 . . 5.000 4.735 4.641 4.863 . 0 0 "[ . 1 . 2]" 2
735 1 10 LYS HB2 1 11 PRO QD . . 4.320 4.217 4.159 4.262 . 0 0 "[ . 1 . 2]" 2
736 1 10 LYS HB2 1 10 LYS QE . . 4.460 4.128 4.052 4.236 . 0 0 "[ . 1 . 2]" 2
737 1 10 LYS HB3 1 10 LYS QE . . 4.180 3.627 3.585 3.715 . 0 0 "[ . 1 . 2]" 2
738 1 10 LYS HB2 1 20 ARG HB3 . . 3.360 2.139 2.016 2.230 . 0 0 "[ . 1 . 2]" 2
739 1 22 VAL MG2 1 23 GLN HG2 . . 3.650 2.283 2.217 2.398 . 0 0 "[ . 1 . 2]" 2
740 1 22 VAL HB 1 26 HIS HE1 . . 5.500 5.405 5.310 5.495 . 0 0 "[ . 1 . 2]" 2
741 1 11 PRO QD 1 22 VAL HB . . 4.710 4.077 4.024 4.140 . 0 0 "[ . 1 . 2]" 2
742 1 10 LYS QE 1 22 VAL HB . . 4.980 3.812 3.615 3.963 . 0 0 "[ . 1 . 2]" 2
743 1 10 LYS HA 1 22 VAL HB . . 5.080 4.069 3.934 4.177 . 0 0 "[ . 1 . 2]" 2
744 1 16 THR H 1 17 CYS HB3 . . 5.500 5.435 5.387 5.485 . 0 0 "[ . 1 . 2]" 2
745 1 17 CYS H 1 17 CYS HB2 . . 3.870 3.836 3.808 3.854 . 0 0 "[ . 1 . 2]" 2
746 1 17 CYS H 1 17 CYS HB3 . . 3.580 3.046 3.001 3.089 . 0 0 "[ . 1 . 2]" 2
747 1 17 CYS HB2 1 34 HIS HE1 . . 3.580 3.507 3.448 3.582 0.002 15 0 "[ . 1 . 2]" 2
748 1 17 CYS HA 1 17 CYS HB2 . . 2.820 2.397 2.385 2.415 . 0 0 "[ . 1 . 2]" 2
749 1 17 CYS HA 1 17 CYS HB3 . . 2.910 2.513 2.492 2.527 . 0 0 "[ . 1 . 2]" 2
750 1 16 THR HA 1 17 CYS HB3 . . 5.330 5.191 5.155 5.239 . 0 0 "[ . 1 . 2]" 2
751 1 16 THR HB 1 17 CYS HB3 . . 4.280 3.930 3.890 3.997 . 0 0 "[ . 1 . 2]" 2
752 1 17 CYS HB3 1 19 ALA MB . . 4.820 4.660 4.609 4.726 . 0 0 "[ . 1 . 2]" 2
753 1 16 THR MG 1 17 CYS HB3 . . 3.620 2.889 2.859 2.908 . 0 0 "[ . 1 . 2]" 2
754 1 17 CYS HB2 1 19 ALA MB . . 4.860 4.520 4.440 4.630 . 0 0 "[ . 1 . 2]" 2
755 1 25 ALA HA 1 28 ARG H . . 4.400 4.233 4.223 4.244 . 0 0 "[ . 1 . 2]" 2
756 1 25 ALA HA 1 29 ALA H . . 4.500 4.438 4.378 4.494 . 0 0 "[ . 1 . 2]" 2
757 1 25 ALA HA 1 26 HIS HA . . 4.950 4.682 4.674 4.694 . 0 0 "[ . 1 . 2]" 2
758 1 24 VAL HA 1 25 ALA HA . . 5.020 4.900 4.894 4.911 . 0 0 "[ . 1 . 2]" 2
759 1 23 GLN HB3 1 25 ALA HA . . 5.220 5.063 5.047 5.084 . 0 0 "[ . 1 . 2]" 2
760 1 25 ALA HA 1 28 ARG HG2 . . 3.050 2.269 2.222 2.311 . 0 0 "[ . 1 . 2]" 2
761 1 25 ALA HA 1 28 ARG HG3 . . 3.970 3.437 3.384 3.524 . 0 0 "[ . 1 . 2]" 2
762 1 25 ALA HA 1 29 ALA MB . . 5.100 4.070 3.983 4.153 . 0 0 "[ . 1 . 2]" 2
763 1 24 VAL MG2 1 25 ALA HA . . 4.440 4.429 4.376 4.448 0.008 15 0 "[ . 1 . 2]" 2
764 1 11 PRO HB2 1 12 TYR H . . 4.140 3.156 3.067 3.213 . 0 0 "[ . 1 . 2]" 2
765 1 11 PRO HB3 1 12 TYR QD . . 5.360 5.069 5.006 5.104 . 0 0 "[ . 1 . 2]" 2
766 1 11 PRO HB2 1 12 TYR QD . . 4.370 4.048 4.002 4.101 . 0 0 "[ . 1 . 2]" 2
767 1 11 PRO HB3 1 12 TYR QE . . 5.200 5.162 5.091 5.211 0.011 3 0 "[ . 1 . 2]" 2
768 1 11 PRO HB2 1 12 TYR QE . . 4.320 4.242 4.177 4.314 . 0 0 "[ . 1 . 2]" 2
769 1 10 LYS HA 1 11 PRO HB3 . . 5.210 4.940 4.909 4.965 . 0 0 "[ . 1 . 2]" 2
770 1 13 LYS HA 1 14 CYS HA . . 4.890 4.353 4.351 4.355 . 0 0 "[ . 1 . 2]" 2
771 1 13 LYS HA 1 20 ARG HG3 . . 4.030 3.228 3.105 3.331 . 0 0 "[ . 1 . 2]" 2
772 1 13 LYS HA 1 13 LYS HD3 . . 4.740 4.587 4.579 4.606 . 0 0 "[ . 1 . 2]" 2
773 1 13 LYS HA 1 13 LYS HG3 . . 3.720 2.942 2.925 2.976 . 0 0 "[ . 1 . 2]" 2
774 1 13 LYS HA 1 27 LEU MD2 . . 4.580 3.226 3.181 3.293 . 0 0 "[ . 1 . 2]" 2
775 1 13 LYS HA 1 20 ARG HA . . 3.160 1.983 1.964 1.991 . 0 0 "[ . 1 . 2]" 2
776 1 26 HIS HA 1 29 ALA HA . . 5.500 5.522 5.512 5.529 0.029 15 0 "[ . 1 . 2]" 2
777 1 19 ALA HA 1 20 ARG HA . . 4.590 4.561 4.550 4.569 . 0 0 "[ . 1 . 2]" 2
778 1 29 ALA HA 1 30 HIS HB3 . . 5.500 5.561 5.554 5.566 0.066 1 0 "[ . 1 . 2]" 2
779 1 19 ALA MB 1 20 ARG HA . . 4.440 3.823 3.742 3.868 . 0 0 "[ . 1 . 2]" 2
780 1 29 ALA HA 1 31 VAL H . . 4.580 4.483 4.463 4.515 . 0 0 "[ . 1 . 2]" 2
781 1 29 ALA HA 1 32 LEU H . . 4.090 3.999 3.989 4.009 . 0 0 "[ . 1 . 2]" 2
782 1 26 HIS HB3 1 27 LEU H . . 4.540 3.650 3.625 3.671 . 0 0 "[ . 1 . 2]" 2
783 1 20 ARG HA 1 21 PHE QE . . 4.440 3.598 3.578 3.613 . 0 0 "[ . 1 . 2]" 2
784 1 14 CYS HB2 1 20 ARG HA . . 5.080 4.976 4.870 5.061 . 0 0 "[ . 1 . 2]" 2
785 1 20 ARG HA 1 21 PHE HB2 . . 4.720 4.633 4.628 4.640 . 0 0 "[ . 1 . 2]" 2
786 1 26 HIS HB2 1 27 LEU HB3 . . 4.690 4.447 4.434 4.466 . 0 0 "[ . 1 . 2]" 2
787 1 29 ALA HA 1 32 LEU HB2 . . 4.310 4.127 4.093 4.167 . 0 0 "[ . 1 . 2]" 2
788 1 10 LYS HB2 1 20 ARG HA . . 4.700 4.414 4.280 4.517 . 0 0 "[ . 1 . 2]" 2
789 1 28 ARG HG3 1 29 ALA HA . . 4.830 3.419 3.370 3.506 . 0 0 "[ . 1 . 2]" 2
790 1 29 ALA HA 1 32 LEU HB3 . . 5.340 5.180 5.157 5.206 . 0 0 "[ . 1 . 2]" 2
791 1 26 HIS HB2 1 27 LEU HB2 . . 4.650 4.231 4.220 4.244 . 0 0 "[ . 1 . 2]" 2
792 1 13 LYS HG3 1 20 ARG HA . . 4.360 3.935 3.895 3.995 . 0 0 "[ . 1 . 2]" 2
793 1 26 HIS HB3 1 27 LEU HB2 . . 5.500 5.479 5.467 5.499 . 0 0 "[ . 1 . 2]" 2
794 1 26 HIS HB2 1 27 LEU MD1 . . 5.500 5.503 5.491 5.511 0.011 9 0 "[ . 1 . 2]" 2
795 1 23 GLN HB2 1 26 HIS HB2 . . 4.360 4.264 4.218 4.321 . 0 0 "[ . 1 . 2]" 2
796 1 23 GLN HB2 1 26 HIS HB3 . . 5.250 5.196 5.157 5.252 0.002 2 0 "[ . 1 . 2]" 2
797 1 29 ALA HA 1 32 LEU MD2 . . 4.290 3.955 3.900 3.992 . 0 0 "[ . 1 . 2]" 2
798 1 31 VAL H 1 31 VAL HB . . 3.550 3.528 3.524 3.531 . 0 0 "[ . 1 . 2]" 2
799 1 30 HIS HD2 1 31 VAL HB . . 4.960 4.928 4.858 4.963 0.003 12 0 "[ . 1 . 2]" 2
800 1 31 VAL HB 1 32 LEU HA . . 4.660 4.216 4.206 4.227 . 0 0 "[ . 1 . 2]" 2
801 1 16 THR HB 1 31 VAL HB . . 5.500 4.762 4.598 4.905 . 0 0 "[ . 1 . 2]" 2
802 1 9 GLU QB 1 10 LYS HA . . 5.030 4.230 4.119 4.498 . 0 0 "[ . 1 . 2]" 2
803 1 27 LEU HG 1 31 VAL HB . . 5.500 5.466 5.403 5.507 0.007 10 0 "[ . 1 . 2]" 2
804 1 19 ALA HA 1 20 ARG H . . 2.590 2.592 2.572 2.609 0.019 17 0 "[ . 1 . 2]" 2
805 1 19 ALA HA 1 21 PHE QE . . 4.750 4.631 4.612 4.652 . 0 0 "[ . 1 . 2]" 2
806 1 18 GLY HA3 1 19 ALA HA . . 4.770 4.533 4.530 4.535 . 0 0 "[ . 1 . 2]" 2
807 1 14 CYS HB3 1 19 ALA HA . . 4.640 3.967 3.860 4.104 . 0 0 "[ . 1 . 2]" 2
808 1 19 ALA HA 1 20 ARG HG3 . . 4.070 3.836 3.722 3.904 . 0 0 "[ . 1 . 2]" 2
809 1 14 CYS H 1 19 ALA HA . . 4.830 4.304 4.285 4.332 . 0 0 "[ . 1 . 2]" 2
810 1 13 LYS HA 1 19 ALA HA . . 5.400 5.407 5.376 5.421 0.021 15 0 "[ . 1 . 2]" 2
811 1 19 ALA HA 1 20 ARG QD . . 5.500 5.303 4.900 5.495 . 0 0 "[ . 1 . 2]" 2
812 1 23 GLN HB3 1 24 VAL HB . . 5.340 4.976 4.934 5.017 . 0 0 "[ . 1 . 2]" 2
813 1 24 VAL HB 1 27 LEU HB3 . . 5.500 5.035 5.014 5.053 . 0 0 "[ . 1 . 2]" 2
814 1 24 VAL HB 1 27 LEU MD2 . . 5.260 5.045 4.968 5.107 . 0 0 "[ . 1 . 2]" 2
815 1 23 GLN HB3 1 26 HIS HD2 . . 4.250 3.653 3.595 3.717 . 0 0 "[ . 1 . 2]" 2
816 1 23 GLN HB2 1 26 HIS HD2 . . 4.100 3.517 3.452 3.572 . 0 0 "[ . 1 . 2]" 2
817 1 23 GLN HB3 1 26 HIS HB2 . . 5.160 4.967 4.908 5.009 . 0 0 "[ . 1 . 2]" 2
818 1 23 GLN HB3 1 23 GLN HG3 . . 2.960 2.605 2.576 2.635 . 0 0 "[ . 1 . 2]" 2
819 1 22 VAL MG1 1 23 GLN HB2 . . 4.670 2.832 2.726 2.981 . 0 0 "[ . 1 . 2]" 2
820 1 22 VAL MG2 1 23 GLN HB2 . . 4.610 3.664 3.625 3.755 . 0 0 "[ . 1 . 2]" 2
821 1 22 VAL MG2 1 23 GLN HB3 . . 4.850 4.626 4.600 4.707 . 0 0 "[ . 1 . 2]" 2
822 1 9 GLU QB 1 10 LYS HG3 . . 4.810 4.665 4.529 4.774 . 0 0 "[ . 1 . 2]" 2
823 1 8 GLY QA 1 9 GLU QB . . 4.580 4.196 3.665 4.595 0.015 10 0 "[ . 1 . 2]" 2
824 1 9 GLU QB 1 11 PRO QD . . 4.630 4.064 3.827 4.330 . 0 0 "[ . 1 . 2]" 2
825 1 10 LYS QD 1 22 VAL H . . 4.960 4.034 3.871 4.197 . 0 0 "[ . 1 . 2]" 2
826 1 14 CYS HB2 1 16 THR H . . 4.800 4.714 4.639 4.813 0.013 3 0 "[ . 1 . 2]" 2
827 1 10 LYS QD 1 20 ARG H . . 4.850 3.998 3.954 4.040 . 0 0 "[ . 1 . 2]" 2
828 1 14 CYS HB2 1 19 ALA HA . . 5.420 5.279 5.217 5.331 . 0 0 "[ . 1 . 2]" 2
829 1 14 CYS HB3 1 18 GLY HA2 . . 4.320 4.119 4.061 4.161 . 0 0 "[ . 1 . 2]" 2
830 1 10 LYS QD 1 20 ARG QD . . 4.660 3.410 3.253 3.664 . 0 0 "[ . 1 . 2]" 2
831 1 13 LYS HG3 1 14 CYS HB3 . . 5.160 5.015 4.957 5.102 . 0 0 "[ . 1 . 2]" 2
832 1 14 CYS H 1 14 CYS HB2 . . 3.100 2.813 2.686 2.892 . 0 0 "[ . 1 . 2]" 2
833 1 14 CYS HB3 1 16 THR H . . 4.830 4.562 4.409 4.642 . 0 0 "[ . 1 . 2]" 2
834 1 10 LYS QD 1 21 PHE H . . 4.950 2.689 2.608 2.799 . 0 0 "[ . 1 . 2]" 2
835 1 9 GLU H 1 10 LYS QD . . 5.500 4.903 4.129 5.487 . 0 0 "[ . 1 . 2]" 2
836 1 10 LYS H 1 10 LYS QD . . 5.500 4.672 4.561 4.739 . 0 0 "[ . 1 . 2]" 2
837 1 14 CYS HB3 1 19 ALA H . . 3.080 1.887 1.877 1.894 . 0 0 "[ . 1 . 2]" 2
838 1 28 ARG H 1 28 ARG HB2 . . 3.600 3.560 3.557 3.563 . 0 0 "[ . 1 . 2]" 2
839 1 14 CYS HB2 1 18 GLY H . . 4.310 4.291 4.266 4.312 0.002 1 0 "[ . 1 . 2]" 2
840 1 28 ARG HB2 1 29 ALA H . . 4.280 4.204 4.178 4.221 . 0 0 "[ . 1 . 2]" 2
841 1 28 ARG HB3 1 29 ALA H . . 4.260 4.018 3.988 4.040 . 0 0 "[ . 1 . 2]" 2
842 1 14 CYS HB3 1 21 PHE QD . . 5.500 5.111 4.975 5.289 . 0 0 "[ . 1 . 2]" 2
843 1 14 CYS HB2 1 21 PHE QD . . 4.500 4.352 4.304 4.423 . 0 0 "[ . 1 . 2]" 2
844 1 14 CYS HB3 1 21 PHE QE . . 3.840 3.228 3.099 3.407 . 0 0 "[ . 1 . 2]" 2
845 1 14 CYS HB2 1 21 PHE QE . . 3.450 2.489 2.438 2.571 . 0 0 "[ . 1 . 2]" 2
846 1 14 CYS HB3 1 21 PHE HZ . . 5.070 4.651 4.554 4.800 . 0 0 "[ . 1 . 2]" 2
847 1 13 LYS HA 1 14 CYS HB3 . . 4.640 4.542 4.465 4.656 0.016 3 0 "[ . 1 . 2]" 2
848 1 13 LYS HA 1 14 CYS HB2 . . 4.750 4.588 4.471 4.676 . 0 0 "[ . 1 . 2]" 2
849 1 10 LYS HA 1 10 LYS QD . . 4.120 4.000 3.953 4.054 . 0 0 "[ . 1 . 2]" 2
850 1 14 CYS HB3 1 18 GLY HA3 . . 5.170 4.987 4.940 5.027 . 0 0 "[ . 1 . 2]" 2
851 1 28 ARG HB2 1 29 ALA HA . . 4.870 4.872 4.858 4.889 0.019 18 0 "[ . 1 . 2]" 2
852 1 10 LYS QD 1 11 PRO QD . . 5.060 4.886 4.808 4.980 . 0 0 "[ . 1 . 2]" 2
853 1 14 CYS HB2 1 31 VAL HA . . 4.730 4.652 4.563 4.743 0.013 2 0 "[ . 1 . 2]" 2
854 1 28 ARG HB2 1 28 ARG HD2 . . 3.850 2.709 2.328 3.009 . 0 0 "[ . 1 . 2]" 2
855 1 28 ARG HB3 1 28 ARG HD2 . . 3.910 2.487 2.305 2.932 . 0 0 "[ . 1 . 2]" 2
856 1 28 ARG HB3 1 28 ARG HD3 . . 3.950 3.320 2.556 3.628 . 0 0 "[ . 1 . 2]" 2
857 1 14 CYS HB2 1 27 LEU HG . . 4.980 4.408 4.381 4.431 . 0 0 "[ . 1 . 2]" 2
858 1 28 ARG HB2 1 31 VAL MG2 . . 4.600 3.491 3.477 3.505 . 0 0 "[ . 1 . 2]" 2
859 1 14 CYS HB2 1 27 LEU HB2 . . 5.050 4.658 4.620 4.705 . 0 0 "[ . 1 . 2]" 2
860 1 14 CYS HB3 1 19 ALA MB . . 3.230 2.118 1.964 2.279 . 0 0 "[ . 1 . 2]" 2
861 1 14 CYS HB2 1 27 LEU MD1 . . 3.090 1.868 1.848 1.879 . 0 0 "[ . 1 . 2]" 2
862 1 24 VAL MG1 1 28 ARG HB2 . . 4.830 4.487 4.469 4.498 . 0 0 "[ . 1 . 2]" 2
863 1 13 LYS H 1 13 LYS HD3 . . 4.860 4.675 4.655 4.693 . 0 0 "[ . 1 . 2]" 2
864 1 13 LYS HA 1 13 LYS HD2 . . 4.950 4.760 4.724 4.773 . 0 0 "[ . 1 . 2]" 2
865 1 14 CYS HA 1 15 GLU HB2 . . 4.650 4.652 4.647 4.656 0.006 11 0 "[ . 1 . 2]" 2
866 1 13 LYS HD2 1 15 GLU HA . . 5.500 5.510 5.505 5.519 0.019 13 0 "[ . 1 . 2]" 2
867 1 15 GLU HB2 1 16 THR HA . . 4.850 4.216 4.206 4.225 . 0 0 "[ . 1 . 2]" 2
868 1 13 LYS HD2 1 18 GLY HA2 . . 4.720 4.592 4.547 4.734 0.014 19 0 "[ . 1 . 2]" 2
869 1 13 LYS HD3 1 20 ARG QD . . 5.500 5.255 5.058 5.504 0.004 13 0 "[ . 1 . 2]" 2
870 1 13 LYS HD2 1 20 ARG QD . . 4.650 3.965 3.800 4.132 . 0 0 "[ . 1 . 2]" 2
871 1 15 GLU HB3 1 15 GLU HG2 . . 2.850 2.549 2.533 2.563 . 0 0 "[ . 1 . 2]" 2
872 1 28 ARG HB2 1 29 ALA MB . . 5.080 5.067 5.043 5.090 0.010 6 0 "[ . 1 . 2]" 2
873 1 12 TYR H 1 12 TYR QE . . 4.230 4.126 4.038 4.191 . 0 0 "[ . 1 . 2]" 2
874 1 12 TYR QE 1 23 GLN H . . 4.460 4.369 4.336 4.430 . 0 0 "[ . 1 . 2]" 2
875 1 29 ALA H 1 30 HIS HB3 . . 4.260 4.122 4.096 4.151 . 0 0 "[ . 1 . 2]" 2
876 1 21 PHE QD 1 30 HIS HB2 . . 4.860 4.735 4.716 4.772 . 0 0 "[ . 1 . 2]" 2
877 1 21 PHE QE 1 30 HIS HB3 . . 3.940 3.149 3.135 3.163 . 0 0 "[ . 1 . 2]" 2
878 1 21 PHE QE 1 30 HIS HB2 . . 3.750 2.867 2.836 2.894 . 0 0 "[ . 1 . 2]" 2
879 1 12 TYR QE 1 22 VAL HA . . 4.710 4.564 4.498 4.689 . 0 0 "[ . 1 . 2]" 2
880 1 11 PRO QD 1 12 TYR QE . . 4.060 3.994 3.899 4.060 0.000 8 0 "[ . 1 . 2]" 2
881 1 12 TYR QE 1 24 VAL HA . . 4.260 3.851 3.798 3.897 . 0 0 "[ . 1 . 2]" 2
882 1 12 TYR QE 1 23 GLN HB3 . . 4.620 4.462 4.425 4.494 . 0 0 "[ . 1 . 2]" 2
883 1 11 PRO HG3 1 12 TYR QE . . 4.120 3.431 3.358 3.478 . 0 0 "[ . 1 . 2]" 2
884 1 27 LEU HG 1 30 HIS HB3 . . 5.220 5.095 5.027 5.159 . 0 0 "[ . 1 . 2]" 2
885 1 11 PRO HG2 1 12 TYR QE . . 3.640 2.739 2.688 2.780 . 0 0 "[ . 1 . 2]" 2
886 1 12 TYR QE 1 24 VAL HB . . 3.620 2.383 2.305 2.469 . 0 0 "[ . 1 . 2]" 2
887 1 30 HIS HB3 1 31 VAL MG2 . . 4.130 4.069 4.049 4.090 . 0 0 "[ . 1 . 2]" 2
888 1 30 HIS HB2 1 31 VAL MG2 . . 5.290 5.255 5.242 5.269 . 0 0 "[ . 1 . 2]" 2
889 1 27 LEU MD1 1 30 HIS HB3 . . 3.780 3.113 3.054 3.158 . 0 0 "[ . 1 . 2]" 2
890 1 27 LEU MD1 1 30 HIS HB2 . . 4.690 4.637 4.581 4.679 . 0 0 "[ . 1 . 2]" 2
891 1 33 ILE H 1 34 HIS QB . . 5.070 5.036 4.996 5.067 . 0 0 "[ . 1 . 2]" 2
892 1 17 CYS HA 1 34 HIS HE1 . . 4.830 4.808 4.738 4.839 0.009 17 0 "[ . 1 . 2]" 2
893 1 31 VAL HA 1 34 HIS QB . . 4.650 4.474 4.399 4.552 . 0 0 "[ . 1 . 2]" 2
894 1 34 HIS QB 1 34 HIS HE1 . . 4.500 4.451 4.446 4.453 . 0 0 "[ . 1 . 2]" 2
895 1 17 CYS HB3 1 34 HIS HE1 . . 3.070 2.425 2.344 2.473 . 0 0 "[ . 1 . 2]" 2
896 1 31 VAL HB 1 34 HIS QB . . 5.150 4.991 4.963 5.029 . 0 0 "[ . 1 . 2]" 2
897 1 33 ILE HB 1 34 HIS QB . . 5.500 5.555 5.545 5.565 0.065 6 0 "[ . 1 . 2]" 2
898 1 31 VAL MG1 1 34 HIS QB . . 4.900 4.751 4.654 4.847 . 0 0 "[ . 1 . 2]" 2
899 1 33 ILE HG12 1 34 HIS QB . . 4.980 4.057 4.031 4.087 . 0 0 "[ . 1 . 2]" 2
900 1 33 ILE HG13 1 34 HIS QB . . 4.810 3.798 3.780 3.810 . 0 0 "[ . 1 . 2]" 2
901 1 33 ILE MD 1 34 HIS HE1 . . 3.840 2.477 2.359 2.567 . 0 0 "[ . 1 . 2]" 2
902 1 16 THR MG 1 34 HIS HE1 . . 3.520 3.445 3.342 3.517 . 0 0 "[ . 1 . 2]" 2
903 1 11 PRO QD 1 21 PHE H . . 5.020 4.549 4.495 4.589 . 0 0 "[ . 1 . 2]" 2
904 1 11 PRO QD 1 12 TYR HA . . 5.390 5.249 5.241 5.259 . 0 0 "[ . 1 . 2]" 2
905 1 10 LYS HA 1 11 PRO QD . . 2.700 1.854 1.852 1.861 . 0 0 "[ . 1 . 2]" 2
906 1 11 PRO QD 1 12 TYR HB2 . . 4.590 4.452 4.433 4.476 . 0 0 "[ . 1 . 2]" 2
907 1 9 GLU HG3 1 11 PRO QD . . 5.270 5.013 4.450 5.271 0.001 2 0 "[ . 1 . 2]" 2
908 1 10 LYS HB3 1 11 PRO QD . . 3.590 3.325 3.190 3.419 . 0 0 "[ . 1 . 2]" 2
909 1 11 PRO QD 1 22 VAL MG2 . . 3.550 3.348 3.253 3.395 . 0 0 "[ . 1 . 2]" 2
910 1 14 CYS H 1 20 ARG HG2 . . 4.560 4.272 4.100 4.414 . 0 0 "[ . 1 . 2]" 2
911 1 20 ARG HG3 1 21 PHE H . . 4.810 4.622 4.560 4.693 . 0 0 "[ . 1 . 2]" 2
912 1 20 ARG HG2 1 21 PHE H . . 4.180 3.721 3.662 3.812 . 0 0 "[ . 1 . 2]" 2
913 1 20 ARG H 1 20 ARG HG3 . . 3.630 3.594 3.517 3.644 0.014 13 0 "[ . 1 . 2]" 2
914 1 20 ARG H 1 20 ARG HG2 . . 4.690 4.559 4.488 4.610 . 0 0 "[ . 1 . 2]" 2
915 1 20 ARG HA 1 20 ARG HG3 . . 3.480 2.772 2.690 2.875 . 0 0 "[ . 1 . 2]" 2
916 1 20 ARG HA 1 20 ARG HG2 . . 3.510 2.565 2.464 2.650 . 0 0 "[ . 1 . 2]" 2
917 1 13 LYS HA 1 20 ARG HG2 . . 3.800 2.722 2.553 2.841 . 0 0 "[ . 1 . 2]" 2
918 1 19 ALA HA 1 20 ARG HG2 . . 5.500 5.434 5.337 5.502 0.002 3 0 "[ . 1 . 2]" 2
919 1 13 LYS QE 1 20 ARG HG3 . . 4.830 4.705 4.610 4.853 0.023 19 0 "[ . 1 . 2]" 2
920 1 13 LYS QE 1 20 ARG HG2 . . 5.390 5.224 5.126 5.394 0.004 20 0 "[ . 1 . 2]" 2
921 1 10 LYS HB2 1 20 ARG HG2 . . 4.280 3.478 3.271 3.593 . 0 0 "[ . 1 . 2]" 2
922 1 13 LYS HG3 1 20 ARG HG2 . . 3.930 2.848 2.756 2.920 . 0 0 "[ . 1 . 2]" 2
923 1 13 LYS HG2 1 20 ARG HG3 . . 4.740 3.927 3.803 4.068 . 0 0 "[ . 1 . 2]" 2
924 1 13 LYS HG2 1 20 ARG HG2 . . 4.550 4.182 4.063 4.266 . 0 0 "[ . 1 . 2]" 2
925 1 26 HIS H 1 28 ARG HG2 . . 5.070 4.129 4.105 4.163 . 0 0 "[ . 1 . 2]" 2
926 1 25 ALA MB 1 28 ARG HG3 . . 4.950 4.750 4.712 4.811 . 0 0 "[ . 1 . 2]" 2
927 1 21 PHE HZ 1 30 HIS HE1 . . 4.340 4.061 4.004 4.103 . 0 0 "[ . 1 . 2]" 2
928 1 28 ARG HA 1 28 ARG HG2 . . 4.000 3.792 3.758 3.824 . 0 0 "[ . 1 . 2]" 2
929 1 30 HIS HB2 1 30 HIS HE1 . . 4.970 4.741 4.738 4.744 . 0 0 "[ . 1 . 2]" 2
930 1 24 VAL MG1 1 28 ARG HG2 . . 4.200 3.222 3.090 3.337 . 0 0 "[ . 1 . 2]" 2
931 1 30 HIS HE1 1 33 ILE MD . . 3.180 2.421 2.407 2.459 . 0 0 "[ . 1 . 2]" 2
932 1 24 VAL MG2 1 28 ARG HG2 . . 3.990 3.820 3.711 3.920 . 0 0 "[ . 1 . 2]" 2
933 1 24 VAL MG2 1 27 LEU HG . . 4.060 3.766 3.714 3.871 . 0 0 "[ . 1 . 2]" 2
934 1 12 TYR HB2 1 27 LEU HG . . 5.380 5.142 5.093 5.182 . 0 0 "[ . 1 . 2]" 2
935 1 28 ARG HG3 1 29 ALA MB . . 4.100 3.257 3.158 3.348 . 0 0 "[ . 1 . 2]" 2
936 1 26 HIS HB3 1 26 HIS HE1 . . 5.080 4.870 4.860 4.880 . 0 0 "[ . 1 . 2]" 2
937 1 23 GLN HG2 1 26 HIS HE1 . . 4.900 4.692 4.572 4.839 . 0 0 "[ . 1 . 2]" 2
938 1 23 GLN HG3 1 26 HIS HE1 . . 4.110 3.999 3.846 4.111 0.001 2 0 "[ . 1 . 2]" 2
939 1 22 VAL MG1 1 26 HIS HE1 . . 4.100 2.517 2.448 2.584 . 0 0 "[ . 1 . 2]" 2
940 1 23 GLN HB2 1 26 HIS HE1 . . 4.520 3.073 2.898 3.139 . 0 0 "[ . 1 . 2]" 2
941 1 23 GLN HB3 1 26 HIS HE1 . . 4.970 4.695 4.507 4.759 . 0 0 "[ . 1 . 2]" 2
942 1 11 PRO HG3 1 12 TYR H . . 4.620 3.729 3.659 3.775 . 0 0 "[ . 1 . 2]" 2
943 1 23 GLN H 1 26 HIS HD2 . . 4.940 4.894 4.811 4.948 0.008 15 0 "[ . 1 . 2]" 2
944 1 10 LYS HA 1 11 PRO HG3 . . 4.550 4.345 4.328 4.362 . 0 0 "[ . 1 . 2]" 2
945 1 10 LYS HA 1 11 PRO HG2 . . 4.450 4.131 4.121 4.149 . 0 0 "[ . 1 . 2]" 2
946 1 11 PRO HG2 1 22 VAL HA . . 4.180 3.864 3.759 3.962 . 0 0 "[ . 1 . 2]" 2
947 1 29 ALA HA 1 32 LEU HG . . 3.460 2.803 2.767 2.852 . 0 0 "[ . 1 . 2]" 2
948 1 14 CYS H 1 27 LEU MD2 . . 4.890 3.677 3.617 3.746 . 0 0 "[ . 1 . 2]" 2
949 1 27 LEU MD2 1 28 ARG H . . 4.040 3.881 3.820 3.936 . 0 0 "[ . 1 . 2]" 2
950 1 12 TYR H 1 27 LEU MD2 . . 4.580 4.536 4.497 4.576 . 0 0 "[ . 1 . 2]" 2
951 1 21 PHE QD 1 27 LEU MD2 . . 4.010 3.002 2.934 3.106 . 0 0 "[ . 1 . 2]" 2
952 1 21 PHE QE 1 27 LEU MD2 . . 4.340 3.889 3.837 3.976 . 0 0 "[ . 1 . 2]" 2
953 1 14 CYS HA 1 27 LEU MD2 . . 4.270 3.004 2.919 3.113 . 0 0 "[ . 1 . 2]" 2
954 1 26 HIS HA 1 26 HIS HD2 . . 3.120 2.825 2.794 2.852 . 0 0 "[ . 1 . 2]" 2
955 1 27 LEU MD2 1 28 ARG HA . . 4.600 4.559 4.506 4.602 0.002 18 0 "[ . 1 . 2]" 2
956 1 27 LEU HA 1 27 LEU MD2 . . 4.100 3.914 3.893 3.936 . 0 0 "[ . 1 . 2]" 2
957 1 12 TYR HB3 1 27 LEU MD2 . . 3.070 1.773 1.770 1.789 . 0 0 "[ . 1 . 2]" 2
958 1 21 PHE HB2 1 27 LEU MD2 . . 4.480 4.026 3.982 4.093 . 0 0 "[ . 1 . 2]" 2
959 1 23 GLN HG3 1 26 HIS HD2 . . 5.160 5.140 5.092 5.175 0.015 13 0 "[ . 1 . 2]" 2
960 1 27 LEU HB3 1 27 LEU MD2 . . 3.140 2.375 2.326 2.410 . 0 0 "[ . 1 . 2]" 2
961 1 27 LEU MD2 1 28 ARG HB3 . . 5.320 4.607 4.544 4.667 . 0 0 "[ . 1 . 2]" 2
962 1 27 LEU MD2 1 31 VAL MG1 . . 3.820 3.611 3.569 3.652 . 0 0 "[ . 1 . 2]" 2
963 1 27 LEU HB2 1 27 LEU MD2 . . 3.150 2.325 2.284 2.378 . 0 0 "[ . 1 . 2]" 2
964 1 33 ILE H 1 33 ILE HG13 . . 3.890 3.629 3.605 3.642 . 0 0 "[ . 1 . 2]" 2
965 1 10 LYS HG3 1 22 VAL HA . . 5.010 4.787 4.591 4.917 . 0 0 "[ . 1 . 2]" 2
966 1 10 LYS HG3 1 21 PHE H . . 5.300 4.945 4.907 5.003 . 0 0 "[ . 1 . 2]" 2
967 1 9 GLU H 1 10 LYS HG3 . . 5.430 3.309 2.615 4.024 . 0 0 "[ . 1 . 2]" 2
968 1 32 LEU MD1 1 33 ILE H . . 5.020 4.791 4.723 4.860 . 0 0 "[ . 1 . 2]" 2
969 1 30 HIS H 1 32 LEU MD1 . . 5.090 4.664 4.601 4.742 . 0 0 "[ . 1 . 2]" 2
970 1 34 HIS H 1 35 THR HB . . 5.220 5.182 5.114 5.231 0.011 6 0 "[ . 1 . 2]" 2
971 1 29 ALA H 1 32 LEU MD1 . . 4.690 4.580 4.515 4.643 . 0 0 "[ . 1 . 2]" 2
972 1 34 HIS HD2 1 35 THR HB . . 5.500 5.464 5.388 5.509 0.009 19 0 "[ . 1 . 2]" 2
973 1 10 LYS HA 1 10 LYS HG3 . . 3.880 3.231 3.127 3.304 . 0 0 "[ . 1 . 2]" 2
974 1 10 LYS HA 1 10 LYS HG2 . . 3.490 2.560 2.529 2.603 . 0 0 "[ . 1 . 2]" 2
975 1 29 ALA HA 1 32 LEU MD1 . . 2.980 2.094 1.977 2.287 . 0 0 "[ . 1 . 2]" 2
976 1 32 LEU HA 1 35 THR HB . . 4.650 4.421 4.319 4.528 . 0 0 "[ . 1 . 2]" 2
977 1 10 LYS HG3 1 11 PRO QD . . 4.830 4.686 4.579 4.762 . 0 0 "[ . 1 . 2]" 2
978 1 10 LYS HG2 1 11 PRO QD . . 4.240 3.859 3.800 3.926 . 0 0 "[ . 1 . 2]" 2
979 1 10 LYS QE 1 10 LYS HG3 . . 3.700 2.836 2.643 3.143 . 0 0 "[ . 1 . 2]" 2
980 1 9 GLU HG2 1 10 LYS HG3 . . 5.500 4.993 4.276 5.532 0.032 18 0 "[ . 1 . 2]" 2
981 1 9 GLU QB 1 10 LYS HG2 . . 5.120 5.002 4.887 5.143 0.023 18 0 "[ . 1 . 2]" 2
982 1 10 LYS HG3 1 20 ARG HB3 . . 4.290 3.737 3.617 3.821 . 0 0 "[ . 1 . 2]" 2
983 1 32 LEU HB2 1 32 LEU MD1 . . 3.000 2.249 2.167 2.330 . 0 0 "[ . 1 . 2]" 2
984 1 32 LEU HB3 1 32 LEU MD1 . . 3.050 2.413 2.324 2.496 . 0 0 "[ . 1 . 2]" 2
985 1 31 VAL MG2 1 32 LEU MD1 . . 4.230 4.053 4.012 4.092 . 0 0 "[ . 1 . 2]" 2
986 1 32 LEU MD2 1 35 THR HB . . 5.060 4.990 4.868 5.061 0.001 12 0 "[ . 1 . 2]" 2
987 1 10 LYS HG2 1 22 VAL HA . . 4.450 3.231 3.096 3.330 . 0 0 "[ . 1 . 2]" 2
988 1 13 LYS H 1 13 LYS QB . . 2.880 2.552 2.537 2.568 . 0 0 "[ . 1 . 2]" 2
989 1 13 LYS QB 1 13 LYS HD3 . . 3.570 2.080 2.059 2.174 . 0 0 "[ . 1 . 2]" 2
990 1 13 LYS QB 1 13 LYS QE . . 3.730 3.447 3.395 3.631 . 0 0 "[ . 1 . 2]" 2
991 1 13 LYS QB 1 14 CYS H . . 3.760 3.626 3.599 3.655 . 0 0 "[ . 1 . 2]" 2
992 1 13 LYS QB 1 20 ARG HA . . 4.220 3.561 3.519 3.608 . 0 0 "[ . 1 . 2]" 2
993 1 13 LYS QB 1 20 ARG HG2 . . 3.710 2.188 2.097 2.252 . 0 0 "[ . 1 . 2]" 2
994 1 13 LYS QB 1 20 ARG QD . . 4.310 3.497 3.317 3.718 . 0 0 "[ . 1 . 2]" 2
995 1 13 LYS QB 1 27 LEU MD2 . . 4.790 4.045 3.996 4.111 . 0 0 "[ . 1 . 2]" 2
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