NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
508289 |
2eoq   |
10192 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2eoq
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 131
_Distance_constraint_stats_list.Viol_total 10.308
_Distance_constraint_stats_list.Viol_max 0.011
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0039
_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 15 CYS 0.061 0.004 12 0 "[ . 1 . 2]"
1 18 CYS 0.390 0.011 15 0 "[ . 1 . 2]"
1 31 HIS 0.223 0.011 15 0 "[ . 1 . 2]"
1 35 HIS 0.023 0.003 15 0 "[ . 1 . 2]"
2 1 ZN 0.334 0.010 20 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 15 CYS SG 2 1 ZN ZN . 2.190 2.390 2.391 2.388 2.394 0.004 18 0 "[ . 1 . 2]" 1
2 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.422 3.392 3.465 . 0 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 2 1 ZN ZN . 2.190 2.390 2.185 2.182 2.187 0.008 13 0 "[ . 1 . 2]" 1
4 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.517 3.513 3.520 0.010 20 0 "[ . 1 . 2]" 1
5 1 31 HIS NE2 2 1 ZN ZN . . 2.100 2.104 2.101 2.109 0.009 17 0 "[ . 1 . 2]" 1
6 1 35 HIS NE2 2 1 ZN ZN . . 2.100 1.955 1.898 2.025 0.002 13 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.560 3.960 3.950 3.882 3.964 0.004 12 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.618 3.498 3.722 0.002 17 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.717 3.703 3.722 0.002 12 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.320 3.720 3.313 3.309 3.318 0.011 15 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.320 3.720 3.433 3.320 3.528 0.000 17 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.000 3.600 3.005 2.997 3.053 0.003 15 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 868
_Distance_constraint_stats_list.Viol_count 846
_Distance_constraint_stats_list.Viol_total 250.252
_Distance_constraint_stats_list.Viol_max 0.089
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0148
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 GLU 0.041 0.012 1 0 "[ . 1 . 2]"
1 11 LYS 1.359 0.032 2 0 "[ . 1 . 2]"
1 12 PRO 1.812 0.060 12 0 "[ . 1 . 2]"
1 13 PHE 1.596 0.035 8 0 "[ . 1 . 2]"
1 14 LYS 0.403 0.032 5 0 "[ . 1 . 2]"
1 15 CYS 0.272 0.032 5 0 "[ . 1 . 2]"
1 16 ASP 0.721 0.052 3 0 "[ . 1 . 2]"
1 17 ILE 0.803 0.038 3 0 "[ . 1 . 2]"
1 18 CYS 0.352 0.021 16 0 "[ . 1 . 2]"
1 19 GLY 0.904 0.052 3 0 "[ . 1 . 2]"
1 20 LYS 1.832 0.058 17 0 "[ . 1 . 2]"
1 21 SER 0.804 0.031 17 0 "[ . 1 . 2]"
1 22 PHE 1.961 0.058 17 0 "[ . 1 . 2]"
1 23 CYS 1.808 0.060 12 0 "[ . 1 . 2]"
1 24 GLY 0.196 0.017 17 0 "[ . 1 . 2]"
1 25 ARG 0.081 0.017 19 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 1.195 0.089 16 0 "[ . 1 . 2]"
1 28 LEU 3.340 0.089 16 0 "[ . 1 . 2]"
1 29 ASN 1.166 0.049 9 0 "[ . 1 . 2]"
1 30 ARG 0.407 0.022 17 0 "[ . 1 . 2]"
1 31 HIS 1.166 0.042 16 0 "[ . 1 . 2]"
1 32 SER 0.732 0.042 16 0 "[ . 1 . 2]"
1 33 MET 0.205 0.028 2 0 "[ . 1 . 2]"
1 34 VAL 0.283 0.032 2 0 "[ . 1 . 2]"
1 35 HIS 0.211 0.032 2 0 "[ . 1 . 2]"
1 36 THR 0.104 0.015 15 0 "[ . 1 . 2]"
1 37 ALA 0.212 0.039 8 0 "[ . 1 . 2]"
1 38 GLU 0.168 0.039 8 0 "[ . 1 . 2]"
1 39 LYS 0.095 0.043 8 0 "[ . 1 . 2]"
1 40 PRO 0.043 0.043 8 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 36 THR MG 1 37 ALA H . . 4.070 2.856 2.042 3.548 . 0 0 "[ . 1 . 2]" 2
2 1 36 THR HA 1 37 ALA H . . 3.450 3.211 2.946 3.459 0.009 13 0 "[ . 1 . 2]" 2
3 1 34 VAL HA 1 37 ALA H . . 4.950 3.365 3.024 3.853 . 0 0 "[ . 1 . 2]" 2
4 1 37 ALA H 1 37 ALA MB . . 3.050 2.260 2.061 2.448 . 0 0 "[ . 1 . 2]" 2
5 1 36 THR H 1 37 ALA H . . 3.800 2.297 1.921 2.676 . 0 0 "[ . 1 . 2]" 2
6 1 35 HIS HD2 1 36 THR H . . 5.480 5.232 5.156 5.379 . 0 0 "[ . 1 . 2]" 2
7 1 36 THR H 1 36 THR HB . . 3.470 2.904 2.815 3.016 . 0 0 "[ . 1 . 2]" 2
8 1 35 HIS HB2 1 36 THR H . . 4.000 3.097 3.003 3.255 . 0 0 "[ . 1 . 2]" 2
9 1 35 HIS HB3 1 36 THR H . . 3.940 3.798 3.724 3.899 . 0 0 "[ . 1 . 2]" 2
10 1 34 VAL HB 1 36 THR H . . 5.500 5.459 5.395 5.502 0.002 16 0 "[ . 1 . 2]" 2
11 1 36 THR H 1 36 THR MG . . 3.550 2.170 2.033 2.311 . 0 0 "[ . 1 . 2]" 2
12 1 17 ILE MD 1 36 THR H . . 5.500 5.405 5.205 5.496 . 0 0 "[ . 1 . 2]" 2
13 1 34 VAL MG1 1 36 THR H . . 5.500 5.165 5.040 5.218 . 0 0 "[ . 1 . 2]" 2
14 1 34 VAL MG2 1 36 THR H . . 4.780 4.251 4.221 4.322 . 0 0 "[ . 1 . 2]" 2
15 1 15 CYS HA 1 19 GLY H . . 4.690 4.499 4.457 4.531 . 0 0 "[ . 1 . 2]" 2
16 1 34 VAL HA 1 36 THR H . . 4.310 3.836 3.705 3.915 . 0 0 "[ . 1 . 2]" 2
17 1 33 MET HB2 1 36 THR H . . 5.500 5.407 5.368 5.475 . 0 0 "[ . 1 . 2]" 2
18 1 33 MET ME 1 36 THR H . . 5.500 5.469 5.404 5.504 0.004 7 0 "[ . 1 . 2]" 2
19 1 36 THR H 1 37 ALA MB . . 4.660 3.742 3.536 3.916 . 0 0 "[ . 1 . 2]" 2
20 1 17 ILE H 1 19 GLY H . . 3.590 3.083 3.059 3.097 . 0 0 "[ . 1 . 2]" 2
21 1 18 CYS HA 1 19 GLY H . . 3.560 3.300 3.286 3.308 . 0 0 "[ . 1 . 2]" 2
22 1 16 ASP HA 1 19 GLY H . . 4.070 3.930 3.913 3.965 . 0 0 "[ . 1 . 2]" 2
23 1 19 GLY H 1 19 GLY HA2 . . 2.840 2.311 2.307 2.314 . 0 0 "[ . 1 . 2]" 2
24 1 19 GLY H 1 20 LYS HA . . 5.280 5.162 5.148 5.180 . 0 0 "[ . 1 . 2]" 2
25 1 15 CYS HB3 1 19 GLY H . . 3.390 1.887 1.878 1.898 . 0 0 "[ . 1 . 2]" 2
26 1 16 ASP HB2 1 19 GLY H . . 5.500 5.532 5.510 5.552 0.052 3 0 "[ . 1 . 2]" 2
27 1 17 ILE HB 1 19 GLY H . . 4.470 4.298 4.269 4.322 . 0 0 "[ . 1 . 2]" 2
28 1 19 GLY H 1 28 LEU MD1 . . 5.500 5.505 5.455 5.521 0.021 16 0 "[ . 1 . 2]" 2
29 1 17 ILE MD 1 19 GLY H . . 4.700 4.312 4.288 4.341 . 0 0 "[ . 1 . 2]" 2
30 1 17 ILE MG 1 19 GLY H . . 5.130 4.999 4.960 5.026 . 0 0 "[ . 1 . 2]" 2
31 1 29 ASN H 1 32 SER H . . 4.980 4.854 4.814 4.902 . 0 0 "[ . 1 . 2]" 2
32 1 28 LEU MD1 1 32 SER H . . 3.800 2.993 2.914 3.061 . 0 0 "[ . 1 . 2]" 2
33 1 32 SER H 1 34 VAL MG2 . . 5.100 4.577 4.475 4.781 . 0 0 "[ . 1 . 2]" 2
34 1 31 HIS HD2 1 32 SER H . . 4.030 3.741 3.561 3.888 . 0 0 "[ . 1 . 2]" 2
35 1 29 ASN HA 1 32 SER H . . 3.800 3.709 3.671 3.743 . 0 0 "[ . 1 . 2]" 2
36 1 32 SER H 1 32 SER HB2 . . 2.950 2.466 2.442 2.484 . 0 0 "[ . 1 . 2]" 2
37 1 32 SER H 1 32 SER HB3 . . 3.360 2.610 2.591 2.634 . 0 0 "[ . 1 . 2]" 2
38 1 28 LEU HA 1 32 SER H . . 4.220 4.133 4.020 4.219 . 0 0 "[ . 1 . 2]" 2
39 1 30 ARG QD 1 32 SER H . . 5.490 5.493 5.444 5.502 0.012 16 0 "[ . 1 . 2]" 2
40 1 31 HIS HB3 1 32 SER H . . 3.250 2.697 2.607 2.739 . 0 0 "[ . 1 . 2]" 2
41 1 29 ASN HB3 1 32 SER H . . 5.500 5.442 5.399 5.500 0.000 17 0 "[ . 1 . 2]" 2
42 1 31 HIS HB2 1 32 SER H . . 4.000 4.015 3.951 4.042 0.042 16 0 "[ . 1 . 2]" 2
43 1 32 SER H 1 33 MET ME . . 4.480 3.998 3.956 4.059 . 0 0 "[ . 1 . 2]" 2
44 1 30 ARG QB 1 32 SER H . . 5.120 4.739 4.700 4.816 . 0 0 "[ . 1 . 2]" 2
45 1 28 LEU HG 1 32 SER H . . 4.640 4.433 4.363 4.527 . 0 0 "[ . 1 . 2]" 2
46 1 32 SER H 1 34 VAL MG1 . . 4.780 4.698 4.490 4.774 . 0 0 "[ . 1 . 2]" 2
47 1 14 LYS H 1 21 SER HA . . 4.350 4.260 4.234 4.278 . 0 0 "[ . 1 . 2]" 2
48 1 13 PHE HA 1 14 LYS H . . 2.660 2.435 2.410 2.457 . 0 0 "[ . 1 . 2]" 2
49 1 13 PHE HB3 1 14 LYS H . . 3.670 2.369 2.320 2.423 . 0 0 "[ . 1 . 2]" 2
50 1 13 PHE HB2 1 14 LYS H . . 3.770 3.532 3.487 3.576 . 0 0 "[ . 1 . 2]" 2
51 1 14 LYS H 1 28 LEU HB2 . . 5.270 5.119 5.033 5.173 . 0 0 "[ . 1 . 2]" 2
52 1 14 LYS H 1 28 LEU MD2 . . 3.530 2.547 2.486 2.571 . 0 0 "[ . 1 . 2]" 2
53 1 13 PHE QD 1 14 LYS H . . 3.970 3.722 3.697 3.749 . 0 0 "[ . 1 . 2]" 2
54 1 14 LYS H 1 28 LEU HB3 . . 5.500 5.495 5.442 5.513 0.013 15 0 "[ . 1 . 2]" 2
55 1 14 LYS H 1 14 LYS HB3 . . 3.050 2.979 2.958 3.015 . 0 0 "[ . 1 . 2]" 2
56 1 14 LYS H 1 14 LYS QG . . 4.300 4.175 4.152 4.186 . 0 0 "[ . 1 . 2]" 2
57 1 38 GLU HA 1 39 LYS H . . 2.720 2.259 2.138 2.712 . 0 0 "[ . 1 . 2]" 2
58 1 39 LYS H 1 40 PRO HD2 . . 5.210 4.776 4.705 4.839 . 0 0 "[ . 1 . 2]" 2
59 1 39 LYS H 1 40 PRO HD3 . . 5.210 4.987 4.877 5.084 . 0 0 "[ . 1 . 2]" 2
60 1 38 GLU HG2 1 39 LYS H . . 5.500 4.656 2.989 5.499 . 0 0 "[ . 1 . 2]" 2
61 1 38 GLU HG3 1 39 LYS H . . 5.500 4.676 3.532 5.494 . 0 0 "[ . 1 . 2]" 2
62 1 38 GLU HB2 1 39 LYS H . . 5.120 3.741 2.178 4.569 . 0 0 "[ . 1 . 2]" 2
63 1 38 GLU HB3 1 39 LYS H . . 5.120 3.919 2.634 4.636 . 0 0 "[ . 1 . 2]" 2
64 1 39 LYS H 1 39 LYS HB2 . . 3.690 2.452 2.190 3.571 . 0 0 "[ . 1 . 2]" 2
65 1 39 LYS H 1 39 LYS QG . . 3.850 2.762 2.005 3.866 0.016 8 0 "[ . 1 . 2]" 2
66 1 11 LYS H 1 11 LYS QB . . 3.520 2.200 2.155 2.316 . 0 0 "[ . 1 . 2]" 2
67 1 11 LYS H 1 11 LYS QD . . 3.830 2.366 1.880 2.609 . 0 0 "[ . 1 . 2]" 2
68 1 11 LYS H 1 21 SER QB . . 4.230 3.036 2.933 3.242 . 0 0 "[ . 1 . 2]" 2
69 1 11 LYS H 1 11 LYS QE . . 4.990 3.274 2.213 4.461 . 0 0 "[ . 1 . 2]" 2
70 1 10 GLU HG2 1 11 LYS H . . 5.250 4.024 2.007 4.895 . 0 0 "[ . 1 . 2]" 2
71 1 10 GLU HG3 1 11 LYS H . . 5.250 4.089 3.169 4.933 . 0 0 "[ . 1 . 2]" 2
72 1 10 GLU HB2 1 11 LYS H . . 4.220 3.167 1.994 4.071 . 0 0 "[ . 1 . 2]" 2
73 1 10 GLU HB3 1 11 LYS H . . 4.220 3.033 1.992 4.021 . 0 0 "[ . 1 . 2]" 2
74 1 11 LYS H 1 11 LYS HG2 . . 4.420 4.198 3.973 4.421 0.001 5 0 "[ . 1 . 2]" 2
75 1 24 GLY H 1 25 ARG H . . 5.090 4.234 4.079 4.302 . 0 0 "[ . 1 . 2]" 2
76 1 25 ARG H 1 25 ARG HB2 . . 3.830 2.255 2.187 2.295 . 0 0 "[ . 1 . 2]" 2
77 1 13 PHE QE 1 25 ARG H . . 4.610 2.877 2.717 2.988 . 0 0 "[ . 1 . 2]" 2
78 1 13 PHE HZ 1 25 ARG H . . 5.150 3.241 3.209 3.274 . 0 0 "[ . 1 . 2]" 2
79 1 13 PHE QD 1 25 ARG H . . 4.950 3.513 3.266 3.666 . 0 0 "[ . 1 . 2]" 2
80 1 25 ARG H 1 25 ARG HB3 . . 3.830 2.846 2.784 2.942 . 0 0 "[ . 1 . 2]" 2
81 1 20 LYS H 1 22 PHE QE . . 4.170 4.101 3.997 4.145 . 0 0 "[ . 1 . 2]" 2
82 1 20 LYS H 1 22 PHE HZ . . 5.500 5.397 5.250 5.493 . 0 0 "[ . 1 . 2]" 2
83 1 18 CYS HA 1 20 LYS H . . 4.460 4.345 4.295 4.371 . 0 0 "[ . 1 . 2]" 2
84 1 15 CYS HA 1 20 LYS H . . 4.790 4.661 4.623 4.704 . 0 0 "[ . 1 . 2]" 2
85 1 15 CYS HB3 1 20 LYS H . . 3.220 1.923 1.890 2.001 . 0 0 "[ . 1 . 2]" 2
86 1 15 CYS HB2 1 20 LYS H . . 3.430 2.448 2.366 2.543 . 0 0 "[ . 1 . 2]" 2
87 1 20 LYS H 1 20 LYS QG . . 3.050 2.804 2.777 2.833 . 0 0 "[ . 1 . 2]" 2
88 1 20 LYS H 1 20 LYS HB2 . . 2.970 2.195 2.183 2.210 . 0 0 "[ . 1 . 2]" 2
89 1 20 LYS H 1 20 LYS HD3 . . 4.420 4.432 4.399 4.450 0.030 14 0 "[ . 1 . 2]" 2
90 1 20 LYS H 1 28 LEU MD1 . . 5.020 4.864 4.819 4.904 . 0 0 "[ . 1 . 2]" 2
91 1 29 ASN H 1 29 ASN HD22 . . 4.440 4.177 4.148 4.202 . 0 0 "[ . 1 . 2]" 2
92 1 29 ASN HA 1 29 ASN HD22 . . 4.520 4.324 4.294 4.338 . 0 0 "[ . 1 . 2]" 2
93 1 29 ASN HA 1 29 ASN HD21 . . 4.400 4.102 4.060 4.124 . 0 0 "[ . 1 . 2]" 2
94 1 26 SER HA 1 29 ASN HD21 . . 4.740 3.137 3.042 3.250 . 0 0 "[ . 1 . 2]" 2
95 1 29 ASN HB2 1 29 ASN HD22 . . 3.620 3.435 3.434 3.436 . 0 0 "[ . 1 . 2]" 2
96 1 29 ASN HB2 1 29 ASN HD21 . . 3.470 2.117 2.115 2.119 . 0 0 "[ . 1 . 2]" 2
97 1 28 LEU HB3 1 29 ASN HD21 . . 4.930 4.886 4.764 4.932 0.002 20 0 "[ . 1 . 2]" 2
98 1 25 ARG HG2 1 29 ASN HD22 . . 4.040 1.923 1.891 2.000 . 0 0 "[ . 1 . 2]" 2
99 1 25 ARG HG2 1 29 ASN HD21 . . 3.870 2.699 2.599 2.792 . 0 0 "[ . 1 . 2]" 2
100 1 28 LEU MD2 1 29 ASN HD21 . . 5.500 5.504 5.471 5.513 0.013 18 0 "[ . 1 . 2]" 2
101 1 26 SER HA 1 29 ASN HD22 . . 5.230 4.754 4.650 4.868 . 0 0 "[ . 1 . 2]" 2
102 1 28 LEU HB3 1 29 ASN HD22 . . 5.500 5.499 5.448 5.517 0.017 11 0 "[ . 1 . 2]" 2
103 1 22 PHE HA 1 24 GLY H . . 4.740 3.659 3.501 3.775 . 0 0 "[ . 1 . 2]" 2
104 1 22 PHE HB3 1 24 GLY H . . 4.000 2.832 2.732 2.908 . 0 0 "[ . 1 . 2]" 2
105 1 13 PHE HB2 1 24 GLY H . . 5.250 4.759 4.578 4.862 . 0 0 "[ . 1 . 2]" 2
106 1 24 GLY H 1 27 ARG QB . . 3.940 3.728 3.645 3.849 . 0 0 "[ . 1 . 2]" 2
107 1 11 LYS QB 1 24 GLY H . . 5.330 4.975 4.853 5.040 . 0 0 "[ . 1 . 2]" 2
108 1 27 ARG H 1 28 LEU H . . 3.830 2.475 2.400 2.521 . 0 0 "[ . 1 . 2]" 2
109 1 22 PHE QD 1 28 LEU H . . 4.200 3.449 3.240 3.601 . 0 0 "[ . 1 . 2]" 2
110 1 28 LEU H 1 29 ASN HD21 . . 5.500 5.427 5.360 5.495 . 0 0 "[ . 1 . 2]" 2
111 1 25 ARG HA 1 28 LEU H . . 3.510 3.046 2.952 3.103 . 0 0 "[ . 1 . 2]" 2
112 1 28 LEU H 1 29 ASN HB2 . . 4.890 4.751 4.715 4.780 . 0 0 "[ . 1 . 2]" 2
113 1 22 PHE HB2 1 24 GLY H . . 4.450 3.611 3.439 3.677 . 0 0 "[ . 1 . 2]" 2
114 1 22 PHE HB2 1 28 LEU H . . 4.030 2.941 2.878 3.021 . 0 0 "[ . 1 . 2]" 2
115 1 27 ARG QB 1 28 LEU H . . 3.020 2.273 2.194 2.414 . 0 0 "[ . 1 . 2]" 2
116 1 28 LEU H 1 28 LEU HB3 . . 3.190 2.319 2.273 2.373 . 0 0 "[ . 1 . 2]" 2
117 1 28 LEU H 1 28 LEU HG . . 4.410 4.342 4.292 4.396 . 0 0 "[ . 1 . 2]" 2
118 1 28 LEU H 1 28 LEU HB2 . . 3.080 2.722 2.663 2.768 . 0 0 "[ . 1 . 2]" 2
119 1 11 LYS HG3 1 24 GLY H . . 5.500 5.345 5.212 5.501 0.001 3 0 "[ . 1 . 2]" 2
120 1 24 GLY H 1 28 LEU HB2 . . 5.500 5.444 5.261 5.500 0.000 16 0 "[ . 1 . 2]" 2
121 1 16 ASP H 1 17 ILE H . . 3.230 1.867 1.831 1.895 . 0 0 "[ . 1 . 2]" 2
122 1 17 ILE H 1 18 CYS H . . 2.800 2.383 2.357 2.401 . 0 0 "[ . 1 . 2]" 2
123 1 17 ILE H 1 35 HIS HD2 . . 5.160 4.829 4.652 4.917 . 0 0 "[ . 1 . 2]" 2
124 1 17 ILE H 1 18 CYS HA . . 5.050 4.984 4.968 4.994 . 0 0 "[ . 1 . 2]" 2
125 1 15 CYS HA 1 17 ILE H . . 4.330 4.185 4.133 4.226 . 0 0 "[ . 1 . 2]" 2
126 1 16 ASP HA 1 17 ILE H . . 3.510 3.438 3.429 3.446 . 0 0 "[ . 1 . 2]" 2
127 1 17 ILE H 1 19 GLY HA2 . . 4.990 4.755 4.722 4.774 . 0 0 "[ . 1 . 2]" 2
128 1 15 CYS HB3 1 17 ILE H . . 4.000 3.358 3.292 3.418 . 0 0 "[ . 1 . 2]" 2
129 1 15 CYS HB2 1 17 ILE H . . 4.580 4.559 4.536 4.582 0.002 12 0 "[ . 1 . 2]" 2
130 1 16 ASP HB2 1 17 ILE H . . 3.600 3.212 3.186 3.241 . 0 0 "[ . 1 . 2]" 2
131 1 17 ILE H 1 17 ILE HG13 . . 3.000 2.834 2.799 2.864 . 0 0 "[ . 1 . 2]" 2
132 1 17 ILE H 1 17 ILE HB . . 2.730 2.671 2.656 2.690 . 0 0 "[ . 1 . 2]" 2
133 1 17 ILE H 1 28 LEU MD1 . . 5.270 5.015 4.950 5.052 . 0 0 "[ . 1 . 2]" 2
134 1 17 ILE H 1 17 ILE MD . . 3.310 1.963 1.841 2.029 . 0 0 "[ . 1 . 2]" 2
135 1 10 GLU H 1 11 LYS H . . 4.600 4.502 4.358 4.601 0.001 13 0 "[ . 1 . 2]" 2
136 1 10 GLU H 1 10 GLU HG2 . . 5.210 3.334 1.899 4.692 . 0 0 "[ . 1 . 2]" 2
137 1 10 GLU H 1 10 GLU HG3 . . 5.210 3.518 1.900 4.830 . 0 0 "[ . 1 . 2]" 2
138 1 10 GLU H 1 10 GLU HB2 . . 3.930 3.008 2.246 3.820 . 0 0 "[ . 1 . 2]" 2
139 1 10 GLU H 1 10 GLU HB3 . . 3.930 3.287 2.623 3.887 . 0 0 "[ . 1 . 2]" 2
140 1 38 GLU H 1 39 LYS H . . 4.400 4.190 3.328 4.423 0.023 8 0 "[ . 1 . 2]" 2
141 1 37 ALA HA 1 38 GLU H . . 3.280 2.585 2.301 2.851 . 0 0 "[ . 1 . 2]" 2
142 1 38 GLU H 1 38 GLU HB2 . . 4.110 3.288 2.325 4.061 . 0 0 "[ . 1 . 2]" 2
143 1 37 ALA MB 1 38 GLU H . . 3.670 3.667 3.624 3.709 0.039 8 0 "[ . 1 . 2]" 2
144 1 36 THR MG 1 38 GLU H . . 4.940 4.518 4.120 4.838 . 0 0 "[ . 1 . 2]" 2
145 1 13 PHE H 1 14 LYS H . . 4.590 4.426 4.422 4.430 . 0 0 "[ . 1 . 2]" 2
146 1 30 ARG H 1 32 SER H . . 4.340 4.236 4.203 4.303 . 0 0 "[ . 1 . 2]" 2
147 1 30 ARG H 1 31 HIS H . . 3.060 2.647 2.623 2.677 . 0 0 "[ . 1 . 2]" 2
148 1 28 LEU H 1 30 ARG H . . 4.530 4.516 4.460 4.544 0.014 17 0 "[ . 1 . 2]" 2
149 1 13 PHE H 1 13 PHE QD . . 3.750 3.097 3.052 3.137 . 0 0 "[ . 1 . 2]" 2
150 1 29 ASN HD21 1 30 ARG H . . 4.930 4.718 4.691 4.751 . 0 0 "[ . 1 . 2]" 2
151 1 16 ASP H 1 31 HIS HD2 . . 5.170 4.934 4.912 4.982 . 0 0 "[ . 1 . 2]" 2
152 1 13 PHE H 1 21 SER HA . . 4.920 4.763 4.722 4.803 . 0 0 "[ . 1 . 2]" 2
153 1 15 CYS HA 1 16 ASP H . . 2.920 2.526 2.488 2.559 . 0 0 "[ . 1 . 2]" 2
154 1 12 PRO HA 1 13 PHE H . . 3.360 3.277 3.268 3.282 . 0 0 "[ . 1 . 2]" 2
155 1 30 ARG H 1 30 ARG HA . . 2.930 2.817 2.811 2.824 . 0 0 "[ . 1 . 2]" 2
156 1 16 ASP H 1 17 ILE HA . . 4.680 4.617 4.589 4.638 . 0 0 "[ . 1 . 2]" 2
157 1 12 PRO HD2 1 13 PHE H . . 4.600 3.075 3.064 3.095 . 0 0 "[ . 1 . 2]" 2
158 1 13 PHE H 1 21 SER QB . . 3.960 3.829 3.790 3.871 . 0 0 "[ . 1 . 2]" 2
159 1 28 LEU HA 1 30 ARG H . . 4.500 4.481 4.440 4.522 0.022 17 0 "[ . 1 . 2]" 2
160 1 15 CYS HB3 1 16 ASP H . . 4.310 3.039 2.934 3.168 . 0 0 "[ . 1 . 2]" 2
161 1 30 ARG H 1 30 ARG QD . . 3.790 2.533 2.360 2.606 . 0 0 "[ . 1 . 2]" 2
162 1 13 PHE H 1 13 PHE HB3 . . 4.000 3.871 3.864 3.878 . 0 0 "[ . 1 . 2]" 2
163 1 30 ARG H 1 31 HIS HB3 . . 4.790 4.667 4.615 4.715 . 0 0 "[ . 1 . 2]" 2
164 1 15 CYS HB2 1 16 ASP H . . 4.090 3.810 3.783 3.837 . 0 0 "[ . 1 . 2]" 2
165 1 13 PHE H 1 13 PHE HB2 . . 3.500 2.799 2.789 2.812 . 0 0 "[ . 1 . 2]" 2
166 1 29 ASN HB2 1 30 ARG H . . 3.170 2.642 2.610 2.672 . 0 0 "[ . 1 . 2]" 2
167 1 29 ASN HB3 1 30 ARG H . . 3.570 3.032 2.974 3.096 . 0 0 "[ . 1 . 2]" 2
168 1 16 ASP H 1 16 ASP HB2 . . 3.340 2.429 2.408 2.456 . 0 0 "[ . 1 . 2]" 2
169 1 13 PHE H 1 22 PHE HB2 . . 5.500 5.508 5.497 5.517 0.017 19 0 "[ . 1 . 2]" 2
170 1 30 ARG H 1 31 HIS HB2 . . 5.500 5.232 5.159 5.277 . 0 0 "[ . 1 . 2]" 2
171 1 30 ARG H 1 33 MET HG3 . . 5.500 5.060 4.898 5.183 . 0 0 "[ . 1 . 2]" 2
172 1 12 PRO HB2 1 13 PHE H . . 4.120 3.998 3.991 4.010 . 0 0 "[ . 1 . 2]" 2
173 1 12 PRO HG2 1 13 PHE H . . 4.210 3.412 3.397 3.439 . 0 0 "[ . 1 . 2]" 2
174 1 30 ARG H 1 30 ARG QB . . 2.810 2.640 2.615 2.681 . 0 0 "[ . 1 . 2]" 2
175 1 30 ARG H 1 30 ARG HG3 . . 3.730 3.539 3.478 3.578 . 0 0 "[ . 1 . 2]" 2
176 1 11 LYS QB 1 13 PHE H . . 4.180 2.228 2.200 2.252 . 0 0 "[ . 1 . 2]" 2
177 1 16 ASP H 1 17 ILE HG13 . . 4.590 4.137 4.083 4.192 . 0 0 "[ . 1 . 2]" 2
178 1 11 LYS HG2 1 13 PHE H . . 4.830 4.609 4.572 4.646 . 0 0 "[ . 1 . 2]" 2
179 1 25 ARG HG3 1 30 ARG H . . 5.500 5.456 5.363 5.501 0.001 2 0 "[ . 1 . 2]" 2
180 1 16 ASP H 1 17 ILE HB . . 4.600 4.323 4.276 4.370 . 0 0 "[ . 1 . 2]" 2
181 1 13 PHE H 1 28 LEU MD2 . . 5.260 5.057 5.013 5.094 . 0 0 "[ . 1 . 2]" 2
182 1 16 ASP H 1 28 LEU MD1 . . 3.870 3.804 3.739 3.855 . 0 0 "[ . 1 . 2]" 2
183 1 28 LEU MD1 1 30 ARG H . . 5.280 5.022 4.988 5.050 . 0 0 "[ . 1 . 2]" 2
184 1 16 ASP H 1 17 ILE MD . . 4.750 2.457 2.286 2.579 . 0 0 "[ . 1 . 2]" 2
185 1 16 ASP H 1 17 ILE MG . . 5.500 5.301 5.277 5.317 . 0 0 "[ . 1 . 2]" 2
186 1 29 ASN H 1 31 HIS H . . 4.260 4.220 4.179 4.272 0.012 19 0 "[ . 1 . 2]" 2
187 1 31 HIS H 1 32 SER H . . 3.120 2.738 2.720 2.752 . 0 0 "[ . 1 . 2]" 2
188 1 28 LEU H 1 31 HIS H . . 4.750 4.708 4.646 4.744 . 0 0 "[ . 1 . 2]" 2
189 1 22 PHE HZ 1 31 HIS H . . 5.330 5.341 5.251 5.368 0.038 10 0 "[ . 1 . 2]" 2
190 1 29 ASN HA 1 31 HIS H . . 4.520 4.491 4.445 4.527 0.007 16 0 "[ . 1 . 2]" 2
191 1 31 HIS H 1 32 SER HA . . 5.320 5.325 5.312 5.336 0.016 17 0 "[ . 1 . 2]" 2
192 1 28 LEU HA 1 31 HIS H . . 3.550 3.240 3.213 3.261 . 0 0 "[ . 1 . 2]" 2
193 1 30 ARG QD 1 31 HIS H . . 4.530 4.424 4.336 4.460 . 0 0 "[ . 1 . 2]" 2
194 1 31 HIS H 1 31 HIS HB3 . . 2.880 2.355 2.318 2.402 . 0 0 "[ . 1 . 2]" 2
195 1 31 HIS H 1 31 HIS HB2 . . 3.030 2.718 2.663 2.762 . 0 0 "[ . 1 . 2]" 2
196 1 31 HIS H 1 33 MET HB2 . . 5.500 5.494 5.473 5.510 0.010 20 0 "[ . 1 . 2]" 2
197 1 31 HIS H 1 33 MET ME . . 5.500 5.483 5.450 5.499 . 0 0 "[ . 1 . 2]" 2
198 1 30 ARG QB 1 31 HIS H . . 3.080 2.599 2.557 2.624 . 0 0 "[ . 1 . 2]" 2
199 1 28 LEU HB2 1 31 HIS H . . 5.420 5.423 5.397 5.443 0.023 13 0 "[ . 1 . 2]" 2
200 1 31 HIS H 1 34 VAL MG1 . . 5.000 4.410 4.289 4.480 . 0 0 "[ . 1 . 2]" 2
201 1 31 HIS H 1 34 VAL H . . 5.380 5.114 5.064 5.166 . 0 0 "[ . 1 . 2]" 2
202 1 29 ASN HB2 1 31 HIS H . . 5.370 4.966 4.929 4.992 . 0 0 "[ . 1 . 2]" 2
203 1 29 ASN HB3 1 31 HIS H . . 5.500 5.237 5.188 5.264 . 0 0 "[ . 1 . 2]" 2
204 1 30 ARG HG2 1 31 HIS H . . 3.950 3.915 3.814 3.965 0.015 17 0 "[ . 1 . 2]" 2
205 1 28 LEU MD1 1 31 HIS H . . 3.930 3.918 3.869 3.940 0.010 11 0 "[ . 1 . 2]" 2
206 1 31 HIS H 1 34 VAL MG2 . . 5.330 5.034 4.897 5.347 0.017 2 0 "[ . 1 . 2]" 2
207 1 32 SER H 1 33 MET H . . 3.170 2.682 2.647 2.717 . 0 0 "[ . 1 . 2]" 2
208 1 30 ARG H 1 33 MET H . . 5.440 5.236 5.193 5.293 . 0 0 "[ . 1 . 2]" 2
209 1 31 HIS H 1 33 MET H . . 4.110 4.004 3.971 4.021 . 0 0 "[ . 1 . 2]" 2
210 1 33 MET H 1 35 HIS HD2 . . 4.820 4.621 4.532 4.765 . 0 0 "[ . 1 . 2]" 2
211 1 33 MET H 1 33 MET HA . . 2.900 2.899 2.886 2.907 0.007 19 0 "[ . 1 . 2]" 2
212 1 32 SER HB3 1 33 MET H . . 3.270 3.249 3.157 3.289 0.019 17 0 "[ . 1 . 2]" 2
213 1 32 SER HA 1 33 MET H . . 3.530 3.382 3.368 3.412 . 0 0 "[ . 1 . 2]" 2
214 1 30 ARG QD 1 33 MET H . . 5.500 5.312 5.251 5.411 . 0 0 "[ . 1 . 2]" 2
215 1 31 HIS HB3 1 33 MET H . . 4.900 4.755 4.678 4.792 . 0 0 "[ . 1 . 2]" 2
216 1 33 MET H 1 33 MET HG2 . . 3.080 2.050 2.008 2.072 . 0 0 "[ . 1 . 2]" 2
217 1 33 MET H 1 33 MET HG3 . . 3.390 3.372 3.310 3.398 0.008 20 0 "[ . 1 . 2]" 2
218 1 33 MET H 1 33 MET HB2 . . 2.870 2.665 2.649 2.690 . 0 0 "[ . 1 . 2]" 2
219 1 33 MET H 1 36 THR MG . . 4.920 4.832 4.696 4.935 0.015 15 0 "[ . 1 . 2]" 2
220 1 28 LEU MD1 1 33 MET H . . 5.430 5.351 5.287 5.432 0.002 20 0 "[ . 1 . 2]" 2
221 1 33 MET H 1 34 VAL MG2 . . 4.310 3.978 3.914 4.104 . 0 0 "[ . 1 . 2]" 2
222 1 13 PHE H 1 22 PHE H . . 3.790 3.528 3.502 3.549 . 0 0 "[ . 1 . 2]" 2
223 1 21 SER H 1 22 PHE H . . 4.590 4.562 4.557 4.565 . 0 0 "[ . 1 . 2]" 2
224 1 22 PHE H 1 22 PHE QD . . 3.240 2.754 2.649 2.830 . 0 0 "[ . 1 . 2]" 2
225 1 22 PHE H 1 22 PHE QE . . 5.030 4.873 4.800 4.947 . 0 0 "[ . 1 . 2]" 2
226 1 21 SER HA 1 22 PHE H . . 2.840 2.344 2.304 2.384 . 0 0 "[ . 1 . 2]" 2
227 1 11 LYS HA 1 22 PHE H . . 5.500 5.519 5.509 5.526 0.026 12 0 "[ . 1 . 2]" 2
228 1 21 SER QB 1 22 PHE H . . 3.170 2.719 2.627 2.798 . 0 0 "[ . 1 . 2]" 2
229 1 22 PHE H 1 22 PHE HB3 . . 3.960 3.946 3.926 3.959 . 0 0 "[ . 1 . 2]" 2
230 1 13 PHE HB2 1 22 PHE H . . 3.880 2.594 2.547 2.640 . 0 0 "[ . 1 . 2]" 2
231 1 22 PHE H 1 22 PHE HB2 . . 3.440 2.942 2.907 2.965 . 0 0 "[ . 1 . 2]" 2
232 1 11 LYS QB 1 22 PHE H . . 3.610 2.678 2.663 2.687 . 0 0 "[ . 1 . 2]" 2
233 1 11 LYS HG2 1 22 PHE H . . 4.550 3.522 3.485 3.566 . 0 0 "[ . 1 . 2]" 2
234 1 22 PHE H 1 28 LEU HB2 . . 5.070 4.128 4.052 4.229 . 0 0 "[ . 1 . 2]" 2
235 1 22 PHE H 1 28 LEU MD2 . . 4.030 3.873 3.779 3.959 . 0 0 "[ . 1 . 2]" 2
236 1 29 ASN H 1 30 ARG H . . 3.180 3.057 2.991 3.123 . 0 0 "[ . 1 . 2]" 2
237 1 27 ARG H 1 29 ASN H . . 4.640 4.096 3.986 4.195 . 0 0 "[ . 1 . 2]" 2
238 1 28 LEU H 1 29 ASN H . . 3.030 3.002 2.926 3.033 0.003 9 0 "[ . 1 . 2]" 2
239 1 22 PHE QD 1 29 ASN H . . 5.500 5.496 5.442 5.529 0.029 7 0 "[ . 1 . 2]" 2
240 1 29 ASN H 1 29 ASN HD21 . . 4.170 3.214 3.170 3.255 . 0 0 "[ . 1 . 2]" 2
241 1 26 SER HA 1 29 ASN H . . 4.650 4.491 4.415 4.543 . 0 0 "[ . 1 . 2]" 2
242 1 25 ARG HA 1 29 ASN H . . 3.700 3.268 3.188 3.336 . 0 0 "[ . 1 . 2]" 2
243 1 29 ASN H 1 29 ASN HB2 . . 2.750 2.293 2.263 2.322 . 0 0 "[ . 1 . 2]" 2
244 1 28 LEU HB3 1 29 ASN H . . 3.010 2.439 2.370 2.532 . 0 0 "[ . 1 . 2]" 2
245 1 28 LEU HG 1 29 ASN H . . 3.570 2.858 2.777 2.935 . 0 0 "[ . 1 . 2]" 2
246 1 25 ARG HG3 1 29 ASN H . . 3.350 2.714 2.595 2.798 . 0 0 "[ . 1 . 2]" 2
247 1 28 LEU MD2 1 29 ASN H . . 4.720 3.934 3.851 4.015 . 0 0 "[ . 1 . 2]" 2
248 1 35 HIS H 1 37 ALA MB . . 4.820 4.581 4.429 4.690 . 0 0 "[ . 1 . 2]" 2
249 1 32 SER H 1 35 HIS H . . 5.420 5.416 5.394 5.431 0.011 13 0 "[ . 1 . 2]" 2
250 1 35 HIS H 1 37 ALA H . . 4.430 3.964 3.666 4.271 . 0 0 "[ . 1 . 2]" 2
251 1 34 VAL H 1 35 HIS H . . 2.850 2.549 2.479 2.601 . 0 0 "[ . 1 . 2]" 2
252 1 35 HIS H 1 36 THR H . . 3.170 2.472 2.389 2.524 . 0 0 "[ . 1 . 2]" 2
253 1 35 HIS H 1 35 HIS HD2 . . 3.510 3.100 3.015 3.230 . 0 0 "[ . 1 . 2]" 2
254 1 43 PRO HA 1 44 SER H . . 3.320 2.394 2.154 3.292 . 0 0 "[ . 1 . 2]" 2
255 1 33 MET HA 1 35 HIS H . . 3.760 3.732 3.598 3.762 0.002 16 0 "[ . 1 . 2]" 2
256 1 32 SER HA 1 35 HIS H . . 3.980 3.715 3.637 3.775 . 0 0 "[ . 1 . 2]" 2
257 1 35 HIS H 1 35 HIS HB2 . . 3.130 2.283 2.255 2.298 . 0 0 "[ . 1 . 2]" 2
258 1 33 MET HB2 1 35 HIS H . . 4.950 4.924 4.843 4.958 0.008 17 0 "[ . 1 . 2]" 2
259 1 35 HIS H 1 36 THR MG . . 4.170 3.864 3.721 4.058 . 0 0 "[ . 1 . 2]" 2
260 1 17 ILE HG12 1 35 HIS H . . 5.500 5.247 5.021 5.389 . 0 0 "[ . 1 . 2]" 2
261 1 34 VAL MG1 1 35 HIS H . . 3.970 3.857 3.749 3.934 . 0 0 "[ . 1 . 2]" 2
262 1 34 VAL MG2 1 35 HIS H . . 3.270 2.200 2.104 2.369 . 0 0 "[ . 1 . 2]" 2
263 1 17 ILE MG 1 35 HIS H . . 5.500 5.312 5.190 5.405 . 0 0 "[ . 1 . 2]" 2
264 1 32 SER H 1 34 VAL H . . 4.480 4.270 4.224 4.308 . 0 0 "[ . 1 . 2]" 2
265 1 34 VAL H 1 36 THR H . . 4.300 4.187 4.101 4.241 . 0 0 "[ . 1 . 2]" 2
266 1 33 MET H 1 34 VAL H . . 2.830 2.304 2.270 2.360 . 0 0 "[ . 1 . 2]" 2
267 1 34 VAL H 1 35 HIS HD2 . . 4.290 4.273 4.216 4.305 0.015 2 0 "[ . 1 . 2]" 2
268 1 34 VAL H 1 34 VAL HA . . 2.870 2.839 2.820 2.861 . 0 0 "[ . 1 . 2]" 2
269 1 34 VAL H 1 35 HIS HB2 . . 4.740 4.586 4.482 4.649 . 0 0 "[ . 1 . 2]" 2
270 1 31 HIS HB3 1 34 VAL H . . 5.500 5.440 5.400 5.487 . 0 0 "[ . 1 . 2]" 2
271 1 33 MET HG2 1 34 VAL H . . 4.200 4.048 4.022 4.074 . 0 0 "[ . 1 . 2]" 2
272 1 33 MET HB3 1 34 VAL H . . 4.260 4.072 4.018 4.136 . 0 0 "[ . 1 . 2]" 2
273 1 34 VAL H 1 37 ALA MB . . 5.150 4.487 4.201 4.922 . 0 0 "[ . 1 . 2]" 2
274 1 34 VAL H 1 36 THR MG . . 4.960 4.584 4.457 4.693 . 0 0 "[ . 1 . 2]" 2
275 1 34 VAL H 1 34 VAL MG1 . . 2.850 1.892 1.874 1.933 . 0 0 "[ . 1 . 2]" 2
276 1 34 VAL H 1 34 VAL MG2 . . 2.870 2.445 2.432 2.473 . 0 0 "[ . 1 . 2]" 2
277 1 16 ASP H 1 18 CYS H . . 4.320 3.640 3.572 3.701 . 0 0 "[ . 1 . 2]" 2
278 1 15 CYS H 1 18 CYS H . . 5.500 5.489 5.446 5.515 0.015 15 0 "[ . 1 . 2]" 2
279 1 18 CYS H 1 20 LYS H . . 3.970 3.264 3.254 3.276 . 0 0 "[ . 1 . 2]" 2
280 1 18 CYS H 1 31 HIS HD2 . . 5.500 5.208 5.128 5.307 . 0 0 "[ . 1 . 2]" 2
281 1 18 CYS H 1 35 HIS HD2 . . 5.500 5.026 4.814 5.123 . 0 0 "[ . 1 . 2]" 2
282 1 15 CYS HA 1 18 CYS H . . 5.230 5.082 5.026 5.120 . 0 0 "[ . 1 . 2]" 2
283 1 16 ASP HA 1 18 CYS H . . 5.150 4.854 4.808 4.939 . 0 0 "[ . 1 . 2]" 2
284 1 18 CYS H 1 19 GLY HA2 . . 4.330 4.239 4.213 4.280 . 0 0 "[ . 1 . 2]" 2
285 1 18 CYS H 1 18 CYS HB2 . . 3.930 3.767 3.751 3.777 . 0 0 "[ . 1 . 2]" 2
286 1 18 CYS H 1 18 CYS HB3 . . 3.210 3.058 3.032 3.087 . 0 0 "[ . 1 . 2]" 2
287 1 18 CYS H 1 20 LYS QG . . 5.040 4.768 4.726 4.789 . 0 0 "[ . 1 . 2]" 2
288 1 17 ILE HB 1 18 CYS H . . 2.810 2.434 2.375 2.465 . 0 0 "[ . 1 . 2]" 2
289 1 17 ILE MD 1 18 CYS H . . 3.760 3.171 3.109 3.242 . 0 0 "[ . 1 . 2]" 2
290 1 17 ILE MG 1 18 CYS H . . 3.600 3.577 3.524 3.607 0.007 3 0 "[ . 1 . 2]" 2
291 1 15 CYS H 1 22 PHE H . . 5.500 5.389 5.326 5.445 . 0 0 "[ . 1 . 2]" 2
292 1 14 LYS H 1 15 CYS H . . 4.330 4.309 4.288 4.323 . 0 0 "[ . 1 . 2]" 2
293 1 15 CYS H 1 19 GLY H . . 4.260 4.150 4.119 4.174 . 0 0 "[ . 1 . 2]" 2
294 1 15 CYS H 1 20 LYS H . . 3.880 3.445 3.409 3.480 . 0 0 "[ . 1 . 2]" 2
295 1 15 CYS H 1 22 PHE QD . . 4.360 4.183 4.146 4.215 . 0 0 "[ . 1 . 2]" 2
296 1 15 CYS H 1 22 PHE QE . . 3.850 3.833 3.718 3.858 0.008 12 0 "[ . 1 . 2]" 2
297 1 15 CYS H 1 21 SER HA . . 3.390 3.328 3.282 3.358 . 0 0 "[ . 1 . 2]" 2
298 1 15 CYS H 1 19 GLY HA2 . . 4.770 2.926 2.869 2.981 . 0 0 "[ . 1 . 2]" 2
299 1 15 CYS H 1 20 LYS HA . . 4.710 4.150 4.120 4.172 . 0 0 "[ . 1 . 2]" 2
300 1 15 CYS H 1 19 GLY HA3 . . 4.440 4.173 4.095 4.224 . 0 0 "[ . 1 . 2]" 2
301 1 15 CYS H 1 15 CYS HB3 . . 2.940 2.774 2.727 2.808 . 0 0 "[ . 1 . 2]" 2
302 1 15 CYS H 1 15 CYS HB2 . . 3.020 2.379 2.344 2.424 . 0 0 "[ . 1 . 2]" 2
303 1 14 LYS HB3 1 15 CYS H . . 4.020 3.869 3.843 3.958 . 0 0 "[ . 1 . 2]" 2
304 1 15 CYS H 1 20 LYS HB3 . . 4.680 4.566 4.509 4.588 . 0 0 "[ . 1 . 2]" 2
305 1 14 LYS QG 1 15 CYS H . . 3.400 2.048 2.019 2.108 . 0 0 "[ . 1 . 2]" 2
306 1 15 CYS H 1 28 LEU MD2 . . 4.290 3.711 3.662 3.759 . 0 0 "[ . 1 . 2]" 2
307 1 15 CYS H 1 21 SER H . . 4.680 4.423 4.376 4.447 . 0 0 "[ . 1 . 2]" 2
308 1 21 SER H 1 22 PHE QD . . 4.790 4.254 4.186 4.365 . 0 0 "[ . 1 . 2]" 2
309 1 20 LYS HA 1 21 SER H . . 2.570 2.180 2.172 2.186 . 0 0 "[ . 1 . 2]" 2
310 1 21 SER H 1 21 SER QB . . 2.980 2.466 2.441 2.526 . 0 0 "[ . 1 . 2]" 2
311 1 21 SER H 1 22 PHE HA . . 5.420 5.230 5.215 5.247 . 0 0 "[ . 1 . 2]" 2
312 1 15 CYS HB2 1 21 SER H . . 4.890 4.786 4.766 4.808 . 0 0 "[ . 1 . 2]" 2
313 1 20 LYS HD3 1 21 SER H . . 3.610 2.659 2.627 2.713 . 0 0 "[ . 1 . 2]" 2
314 1 21 SER H 1 28 LEU MD1 . . 5.500 5.514 5.488 5.531 0.031 17 0 "[ . 1 . 2]" 2
315 1 21 SER H 1 22 PHE QE . . 4.350 4.067 3.970 4.181 . 0 0 "[ . 1 . 2]" 2
316 1 21 SER H 1 22 PHE HZ . . 5.500 5.412 5.371 5.477 . 0 0 "[ . 1 . 2]" 2
317 1 10 GLU HA 1 11 LYS H . . 3.050 2.439 2.224 2.627 . 0 0 "[ . 1 . 2]" 2
318 1 17 ILE H 1 20 LYS H . . 4.830 4.854 4.841 4.868 0.038 3 0 "[ . 1 . 2]" 2
319 1 28 LEU H 1 29 ASN HA . . 5.500 5.512 5.458 5.535 0.035 9 0 "[ . 1 . 2]" 2
320 1 15 CYS HB3 1 18 CYS H . . 3.490 2.735 2.704 2.757 . 0 0 "[ . 1 . 2]" 2
321 1 19 GLY H 1 20 LYS H . . 3.200 2.555 2.538 2.584 . 0 0 "[ . 1 . 2]" 2
322 1 13 PHE QD 1 24 GLY H . . 4.330 3.977 3.863 4.053 . 0 0 "[ . 1 . 2]" 2
323 1 24 GLY H 1 28 LEU H . . 4.980 4.565 4.513 4.596 . 0 0 "[ . 1 . 2]" 2
324 1 33 MET HB2 1 34 VAL H . . 3.460 2.941 2.858 3.026 . 0 0 "[ . 1 . 2]" 2
325 1 39 LYS H 1 39 LYS HB3 . . 3.690 3.489 2.338 3.647 . 0 0 "[ . 1 . 2]" 2
326 1 18 CYS HA 1 19 GLY HA2 . . 5.380 5.096 5.088 5.101 . 0 0 "[ . 1 . 2]" 2
327 1 18 CYS HA 1 19 GLY HA3 . . 4.790 4.468 4.465 4.471 . 0 0 "[ . 1 . 2]" 2
328 1 19 GLY HA3 1 20 LYS HA . . 4.670 4.562 4.557 4.567 . 0 0 "[ . 1 . 2]" 2
329 1 19 GLY HA2 1 20 LYS HA . . 5.110 4.861 4.845 4.888 . 0 0 "[ . 1 . 2]" 2
330 1 15 CYS HB3 1 19 GLY HA2 . . 4.550 2.618 2.597 2.650 . 0 0 "[ . 1 . 2]" 2
331 1 14 LYS QD 1 19 GLY HA2 . . 3.880 3.727 3.698 3.855 . 0 0 "[ . 1 . 2]" 2
332 1 14 LYS QD 1 19 GLY HA3 . . 4.490 4.453 4.412 4.498 0.008 5 0 "[ . 1 . 2]" 2
333 1 14 LYS QG 1 19 GLY HA2 . . 3.960 2.348 2.312 2.388 . 0 0 "[ . 1 . 2]" 2
334 1 14 LYS QG 1 19 GLY HA3 . . 3.760 3.342 3.286 3.389 . 0 0 "[ . 1 . 2]" 2
335 1 15 CYS H 1 28 LEU MD1 . . 3.950 3.708 3.672 3.738 . 0 0 "[ . 1 . 2]" 2
336 1 28 LEU MD1 1 29 ASN H . . 4.010 3.848 3.820 3.871 . 0 0 "[ . 1 . 2]" 2
337 1 28 LEU H 1 28 LEU MD1 . . 4.400 4.191 4.155 4.214 . 0 0 "[ . 1 . 2]" 2
338 1 22 PHE QD 1 28 LEU MD1 . . 3.260 2.527 2.405 2.620 . 0 0 "[ . 1 . 2]" 2
339 1 22 PHE QE 1 28 LEU MD1 . . 3.130 2.204 2.090 2.280 . 0 0 "[ . 1 . 2]" 2
340 1 15 CYS HA 1 28 LEU MD1 . . 3.230 2.110 2.068 2.181 . 0 0 "[ . 1 . 2]" 2
341 1 28 LEU MD1 1 32 SER HB2 . . 4.050 2.943 2.865 3.050 . 0 0 "[ . 1 . 2]" 2
342 1 28 LEU MD1 1 32 SER HA . . 4.260 3.989 3.931 4.067 . 0 0 "[ . 1 . 2]" 2
343 1 28 LEU HA 1 28 LEU MD1 . . 2.950 2.348 2.267 2.395 . 0 0 "[ . 1 . 2]" 2
344 1 25 ARG HA 1 28 LEU MD1 . . 4.900 4.873 4.771 4.917 0.017 19 0 "[ . 1 . 2]" 2
345 1 28 LEU MD1 1 31 HIS HB3 . . 3.400 2.539 2.440 2.598 . 0 0 "[ . 1 . 2]" 2
346 1 15 CYS HB2 1 28 LEU MD1 . . 3.160 2.847 2.785 2.882 . 0 0 "[ . 1 . 2]" 2
347 1 22 PHE HB2 1 28 LEU MD1 . . 4.010 3.943 3.904 4.014 0.004 9 0 "[ . 1 . 2]" 2
348 1 28 LEU HB3 1 28 LEU MD1 . . 3.360 3.194 3.192 3.195 . 0 0 "[ . 1 . 2]" 2
349 1 28 LEU HB2 1 28 LEU MD1 . . 3.220 2.381 2.354 2.421 . 0 0 "[ . 1 . 2]" 2
350 1 33 MET ME 1 36 THR HB . . 5.500 5.379 5.213 5.489 . 0 0 "[ . 1 . 2]" 2
351 1 33 MET HA 1 36 THR MG . . 2.740 2.422 2.263 2.553 . 0 0 "[ . 1 . 2]" 2
352 1 35 HIS HB2 1 36 THR MG . . 4.710 4.211 4.072 4.393 . 0 0 "[ . 1 . 2]" 2
353 1 33 MET ME 1 36 THR MG . . 3.940 3.716 3.494 3.850 . 0 0 "[ . 1 . 2]" 2
354 1 7 GLY QA 1 8 THR MG . . 4.110 3.642 3.286 4.025 . 0 0 "[ . 1 . 2]" 2
355 1 18 CYS HA 1 35 HIS HE1 . . 4.560 4.244 4.125 4.438 . 0 0 "[ . 1 . 2]" 2
356 1 17 ILE HA 1 35 HIS HE1 . . 5.500 5.341 5.271 5.471 . 0 0 "[ . 1 . 2]" 2
357 1 18 CYS HB2 1 35 HIS HE1 . . 4.060 3.738 3.636 3.897 . 0 0 "[ . 1 . 2]" 2
358 1 17 ILE MD 1 35 HIS HE1 . . 4.180 4.147 4.075 4.183 0.003 15 0 "[ . 1 . 2]" 2
359 1 13 PHE QE 1 24 GLY HA3 . . 4.310 4.312 4.222 4.327 0.017 17 0 "[ . 1 . 2]" 2
360 1 13 PHE QE 1 24 GLY HA2 . . 3.940 2.595 2.521 2.609 . 0 0 "[ . 1 . 2]" 2
361 1 13 PHE QD 1 24 GLY HA2 . . 4.160 3.374 3.271 3.410 . 0 0 "[ . 1 . 2]" 2
362 1 24 GLY HA3 1 27 ARG QB . . 4.630 4.189 4.063 4.444 . 0 0 "[ . 1 . 2]" 2
363 1 12 PRO HG2 1 24 GLY HA2 . . 4.570 4.107 4.061 4.149 . 0 0 "[ . 1 . 2]" 2
364 1 24 GLY HA2 1 25 ARG HB2 . . 4.960 4.354 4.290 4.389 . 0 0 "[ . 1 . 2]" 2
365 1 24 GLY HA2 1 25 ARG HB3 . . 4.960 4.865 4.792 4.973 0.013 1 0 "[ . 1 . 2]" 2
366 1 34 VAL MG2 1 35 HIS HE1 . . 4.730 4.646 4.534 4.728 . 0 0 "[ . 1 . 2]" 2
367 1 42 GLY HA2 1 43 PRO QG . . 4.900 4.156 3.907 4.614 . 0 0 "[ . 1 . 2]" 2
368 1 42 GLY HA3 1 43 PRO QG . . 4.900 4.197 3.827 4.461 . 0 0 "[ . 1 . 2]" 2
369 1 22 PHE HB3 1 28 LEU H . . 4.770 2.876 2.745 2.965 . 0 0 "[ . 1 . 2]" 2
370 1 22 PHE HZ 1 31 HIS HE1 . . 4.450 3.900 3.779 4.028 . 0 0 "[ . 1 . 2]" 2
371 1 13 PHE HB2 1 22 PHE HB3 . . 4.710 4.538 4.501 4.576 . 0 0 "[ . 1 . 2]" 2
372 1 13 PHE HB2 1 22 PHE HB2 . . 4.080 3.081 3.052 3.112 . 0 0 "[ . 1 . 2]" 2
373 1 22 PHE HB2 1 28 LEU HB3 . . 4.400 2.917 2.859 2.980 . 0 0 "[ . 1 . 2]" 2
374 1 20 LYS QG 1 31 HIS HE1 . . 3.510 3.051 2.972 3.203 . 0 0 "[ . 1 . 2]" 2
375 1 11 LYS QB 1 22 PHE HB2 . . 5.400 4.811 4.750 4.847 . 0 0 "[ . 1 . 2]" 2
376 1 11 LYS QB 1 22 PHE HB3 . . 5.360 5.336 5.256 5.385 0.025 17 0 "[ . 1 . 2]" 2
377 1 22 PHE HB3 1 28 LEU HB2 . . 4.380 3.255 3.210 3.301 . 0 0 "[ . 1 . 2]" 2
378 1 22 PHE HB2 1 28 LEU HB2 . . 4.120 2.006 1.991 2.053 . 0 0 "[ . 1 . 2]" 2
379 1 22 PHE HB3 1 28 LEU MD1 . . 5.500 4.899 4.847 4.967 . 0 0 "[ . 1 . 2]" 2
380 1 22 PHE HB3 1 28 LEU MD2 . . 5.500 4.653 4.606 4.711 . 0 0 "[ . 1 . 2]" 2
381 1 22 PHE HB2 1 28 LEU MD2 . . 4.710 3.133 3.088 3.189 . 0 0 "[ . 1 . 2]" 2
382 1 31 HIS HE1 1 34 VAL MG1 . . 4.840 4.770 4.469 4.840 0.000 4 0 "[ . 1 . 2]" 2
383 1 34 VAL MG1 1 36 THR MG . . 5.340 5.289 5.190 5.340 0.000 12 0 "[ . 1 . 2]" 2
384 1 33 MET H 1 34 VAL MG1 . . 3.900 3.397 3.263 3.492 . 0 0 "[ . 1 . 2]" 2
385 1 34 VAL MG1 1 35 HIS HD2 . . 5.140 5.027 4.860 5.114 . 0 0 "[ . 1 . 2]" 2
386 1 30 ARG HA 1 34 VAL MG1 . . 5.110 4.886 4.759 5.008 . 0 0 "[ . 1 . 2]" 2
387 1 33 MET HG2 1 34 VAL MG1 . . 4.740 4.701 4.594 4.739 . 0 0 "[ . 1 . 2]" 2
388 1 31 HIS HB2 1 34 VAL MG1 . . 4.630 4.035 3.942 4.124 . 0 0 "[ . 1 . 2]" 2
389 1 33 MET HB2 1 34 VAL MG1 . . 4.020 3.216 3.063 3.286 . 0 0 "[ . 1 . 2]" 2
390 1 31 HIS HE1 1 34 VAL MG2 . . 3.280 3.012 2.868 3.155 . 0 0 "[ . 1 . 2]" 2
391 1 22 PHE QD 1 27 ARG QD . . 4.400 2.846 1.965 4.123 . 0 0 "[ . 1 . 2]" 2
392 1 34 VAL MG2 1 35 HIS HD2 . . 4.010 2.985 2.930 3.074 . 0 0 "[ . 1 . 2]" 2
393 1 27 ARG HA 1 27 ARG QD . . 3.450 2.690 1.998 3.454 0.004 10 0 "[ . 1 . 2]" 2
394 1 34 VAL HA 1 34 VAL MG2 . . 3.220 3.176 3.168 3.179 . 0 0 "[ . 1 . 2]" 2
395 1 34 VAL MG2 1 35 HIS HB3 . . 4.620 4.562 4.534 4.623 0.003 13 0 "[ . 1 . 2]" 2
396 1 31 HIS HB3 1 34 VAL MG2 . . 4.780 4.459 4.346 4.719 . 0 0 "[ . 1 . 2]" 2
397 1 33 MET HB2 1 34 VAL MG2 . . 4.980 4.880 4.816 5.008 0.028 2 0 "[ . 1 . 2]" 2
398 1 20 LYS QG 1 34 VAL MG2 . . 5.390 5.279 5.172 5.380 . 0 0 "[ . 1 . 2]" 2
399 1 30 ARG HA 1 30 ARG QD . . 3.430 2.041 1.983 2.126 . 0 0 "[ . 1 . 2]" 2
400 1 30 ARG QD 1 33 MET ME . . 4.760 4.627 4.548 4.710 . 0 0 "[ . 1 . 2]" 2
401 1 30 ARG QB 1 30 ARG QD . . 2.950 2.557 2.458 2.729 . 0 0 "[ . 1 . 2]" 2
402 1 13 PHE QE 1 25 ARG HD2 . . 4.530 3.685 3.234 4.429 . 0 0 "[ . 1 . 2]" 2
403 1 11 LYS QE 1 11 LYS HG2 . . 3.520 3.168 2.649 3.510 . 0 0 "[ . 1 . 2]" 2
404 1 14 LYS QE 1 20 LYS H . . 5.260 4.920 4.861 5.093 . 0 0 "[ . 1 . 2]" 2
405 1 11 LYS HA 1 11 LYS QE . . 3.870 2.537 1.968 3.344 . 0 0 "[ . 1 . 2]" 2
406 1 15 CYS H 1 21 SER QB . . 4.450 4.449 4.409 4.475 0.025 20 0 "[ . 1 . 2]" 2
407 1 14 LYS H 1 21 SER QB . . 5.060 5.073 5.059 5.087 0.027 11 0 "[ . 1 . 2]" 2
408 1 14 LYS QE 1 19 GLY H . . 4.250 4.143 4.101 4.223 . 0 0 "[ . 1 . 2]" 2
409 1 21 SER QB 1 22 PHE QD . . 4.360 4.273 4.189 4.378 0.018 18 0 "[ . 1 . 2]" 2
410 1 11 LYS HA 1 21 SER QB . . 4.900 4.689 4.663 4.724 . 0 0 "[ . 1 . 2]" 2
411 1 14 LYS QE 1 19 GLY HA2 . . 3.660 2.152 2.073 2.339 . 0 0 "[ . 1 . 2]" 2
412 1 20 LYS HA 1 21 SER QB . . 4.170 4.087 4.074 4.125 . 0 0 "[ . 1 . 2]" 2
413 1 14 LYS QE 1 19 GLY HA3 . . 3.490 2.444 2.287 2.593 . 0 0 "[ . 1 . 2]" 2
414 1 11 LYS QB 1 21 SER QB . . 2.960 1.965 1.959 1.971 . 0 0 "[ . 1 . 2]" 2
415 1 11 LYS HG2 1 21 SER QB . . 4.270 3.841 3.772 3.911 . 0 0 "[ . 1 . 2]" 2
416 1 14 LYS QG 1 21 SER QB . . 3.720 3.651 3.560 3.730 0.010 5 0 "[ . 1 . 2]" 2
417 1 14 LYS QE 1 14 LYS QG . . 3.130 2.168 2.132 2.316 . 0 0 "[ . 1 . 2]" 2
418 1 21 SER QB 1 28 LEU MD2 . . 5.200 5.152 5.119 5.181 . 0 0 "[ . 1 . 2]" 2
419 1 16 ASP H 1 16 ASP HB3 . . 4.040 3.582 3.573 3.590 . 0 0 "[ . 1 . 2]" 2
420 1 16 ASP HB3 1 17 ILE H . . 4.110 3.697 3.669 3.733 . 0 0 "[ . 1 . 2]" 2
421 1 28 LEU HB2 1 29 ASN H . . 4.060 3.846 3.801 3.906 . 0 0 "[ . 1 . 2]" 2
422 1 30 ARG H 1 33 MET ME . . 5.310 5.260 5.203 5.313 0.003 20 0 "[ . 1 . 2]" 2
423 1 22 PHE QD 1 28 LEU HB3 . . 4.400 3.858 3.818 3.922 . 0 0 "[ . 1 . 2]" 2
424 1 32 SER HB3 1 33 MET ME . . 3.600 2.323 2.258 2.391 . 0 0 "[ . 1 . 2]" 2
425 1 25 ARG HA 1 28 LEU HB2 . . 3.940 3.519 3.392 3.591 . 0 0 "[ . 1 . 2]" 2
426 1 13 PHE HB3 1 28 LEU HB2 . . 3.920 3.899 3.834 3.938 0.018 7 0 "[ . 1 . 2]" 2
427 1 13 PHE HB2 1 28 LEU HB3 . . 4.430 4.359 4.299 4.434 0.004 17 0 "[ . 1 . 2]" 2
428 1 13 PHE HB2 1 28 LEU HB2 . . 4.090 4.027 4.000 4.065 . 0 0 "[ . 1 . 2]" 2
429 1 13 PHE HB3 1 22 PHE HB2 . . 4.430 3.839 3.769 3.910 . 0 0 "[ . 1 . 2]" 2
430 1 33 MET ME 1 33 MET HG3 . . 3.950 3.183 3.163 3.230 . 0 0 "[ . 1 . 2]" 2
431 1 13 PHE HB3 1 28 LEU HB3 . . 4.290 3.880 3.832 3.942 . 0 0 "[ . 1 . 2]" 2
432 1 12 PRO HG2 1 13 PHE HB2 . . 4.610 4.108 4.088 4.136 . 0 0 "[ . 1 . 2]" 2
433 1 13 PHE HB3 1 28 LEU HG . . 4.690 4.685 4.638 4.704 0.014 19 0 "[ . 1 . 2]" 2
434 1 11 LYS QB 1 13 PHE HB2 . . 4.560 3.465 3.419 3.503 . 0 0 "[ . 1 . 2]" 2
435 1 16 ASP HB3 1 17 ILE HG13 . . 4.560 3.817 3.788 3.850 . 0 0 "[ . 1 . 2]" 2
436 1 16 ASP HB2 1 17 ILE HG13 . . 4.490 3.844 3.796 3.872 . 0 0 "[ . 1 . 2]" 2
437 1 13 PHE HB3 1 28 LEU MD2 . . 3.370 1.966 1.952 1.990 . 0 0 "[ . 1 . 2]" 2
438 1 28 LEU HB3 1 28 LEU MD2 . . 3.150 2.379 2.345 2.415 . 0 0 "[ . 1 . 2]" 2
439 1 16 ASP HB3 1 17 ILE MD . . 4.250 3.667 3.615 3.725 . 0 0 "[ . 1 . 2]" 2
440 1 16 ASP HB3 1 17 ILE MG . . 5.500 5.502 5.494 5.508 0.008 18 0 "[ . 1 . 2]" 2
441 1 33 MET H 1 33 MET ME . . 4.170 3.209 3.076 3.253 . 0 0 "[ . 1 . 2]" 2
442 1 32 SER HA 1 33 MET ME . . 4.680 4.414 4.356 4.485 . 0 0 "[ . 1 . 2]" 2
443 1 17 ILE H 1 17 ILE MG . . 3.920 3.810 3.808 3.813 . 0 0 "[ . 1 . 2]" 2
444 1 17 ILE MG 1 35 HIS HE1 . . 3.200 2.981 2.902 3.052 . 0 0 "[ . 1 . 2]" 2
445 1 17 ILE MG 1 35 HIS HB2 . . 3.890 3.685 3.554 3.797 . 0 0 "[ . 1 . 2]" 2
446 1 17 ILE MG 1 18 CYS HB3 . . 3.630 3.612 3.585 3.637 0.007 1 0 "[ . 1 . 2]" 2
447 1 34 VAL HA 1 34 VAL HB . . 2.770 2.375 2.329 2.389 . 0 0 "[ . 1 . 2]" 2
448 1 17 ILE HG13 1 17 ILE MG . . 3.060 2.683 2.672 2.695 . 0 0 "[ . 1 . 2]" 2
449 1 17 ILE HG12 1 17 ILE MG . . 2.970 2.190 2.159 2.200 . 0 0 "[ . 1 . 2]" 2
450 1 34 VAL HA 1 34 VAL MG1 . . 2.870 2.513 2.490 2.560 . 0 0 "[ . 1 . 2]" 2
451 1 17 ILE HA 1 18 CYS HA . . 4.820 4.547 4.545 4.550 . 0 0 "[ . 1 . 2]" 2
452 1 17 ILE HA 1 17 ILE HG13 . . 3.270 2.512 2.496 2.533 . 0 0 "[ . 1 . 2]" 2
453 1 17 ILE HA 1 17 ILE MD . . 3.680 3.531 3.513 3.539 . 0 0 "[ . 1 . 2]" 2
454 1 17 ILE HA 1 17 ILE MG . . 2.810 2.303 2.260 2.324 . 0 0 "[ . 1 . 2]" 2
455 1 32 SER HB2 1 33 MET H . . 4.350 4.183 4.143 4.198 . 0 0 "[ . 1 . 2]" 2
456 1 29 ASN HA 1 32 SER HB2 . . 3.990 3.662 3.606 3.731 . 0 0 "[ . 1 . 2]" 2
457 1 17 ILE HA 1 18 CYS HB3 . . 5.380 5.326 5.306 5.352 . 0 0 "[ . 1 . 2]" 2
458 1 16 ASP HB3 1 17 ILE HA . . 4.540 4.246 4.233 4.267 . 0 0 "[ . 1 . 2]" 2
459 1 36 THR HA 1 37 ALA MB . . 5.030 4.828 4.661 4.984 . 0 0 "[ . 1 . 2]" 2
460 1 36 THR HA 1 36 THR MG . . 3.370 3.198 3.183 3.207 . 0 0 "[ . 1 . 2]" 2
461 1 36 THR HA 1 38 GLU H . . 4.550 3.904 3.303 4.544 . 0 0 "[ . 1 . 2]" 2
462 1 35 HIS H 1 36 THR HA . . 5.340 5.147 5.080 5.192 . 0 0 "[ . 1 . 2]" 2
463 1 32 SER HA 1 35 HIS HD2 . . 3.190 2.011 1.995 2.149 . 0 0 "[ . 1 . 2]" 2
464 1 32 SER HA 1 34 VAL H . . 4.430 4.085 3.988 4.186 . 0 0 "[ . 1 . 2]" 2
465 1 32 SER HA 1 35 HIS HB3 . . 5.070 5.032 4.902 5.081 0.011 1 0 "[ . 1 . 2]" 2
466 1 17 ILE HB 1 35 HIS HE1 . . 3.820 2.866 2.814 2.971 . 0 0 "[ . 1 . 2]" 2
467 1 26 SER QB 1 27 ARG H . . 5.500 2.908 2.639 3.520 . 0 0 "[ . 1 . 2]" 2
468 1 26 SER QB 1 27 ARG QB . . 4.570 3.924 3.639 4.551 . 0 0 "[ . 1 . 2]" 2
469 1 8 THR HA 1 8 THR MG . . 3.360 2.849 2.164 3.207 . 0 0 "[ . 1 . 2]" 2
470 1 26 SER HA 1 29 ASN HB2 . . 3.910 3.413 3.364 3.486 . 0 0 "[ . 1 . 2]" 2
471 1 28 LEU HB3 1 29 ASN HB2 . . 4.760 4.649 4.562 4.721 . 0 0 "[ . 1 . 2]" 2
472 1 29 ASN HB3 1 30 ARG HG2 . . 4.740 4.141 4.023 4.288 . 0 0 "[ . 1 . 2]" 2
473 1 28 LEU MD1 1 29 ASN HB2 . . 5.500 5.522 5.502 5.549 0.049 9 0 "[ . 1 . 2]" 2
474 1 22 PHE HA 1 22 PHE QD . . 4.370 3.177 3.150 3.206 . 0 0 "[ . 1 . 2]" 2
475 1 13 PHE HB2 1 22 PHE QD . . 4.440 3.951 3.908 3.985 . 0 0 "[ . 1 . 2]" 2
476 1 22 PHE QD 1 27 ARG QB . . 3.720 2.368 2.026 2.548 . 0 0 "[ . 1 . 2]" 2
477 1 22 PHE QD 1 27 ARG HG2 . . 4.670 3.819 2.010 4.686 0.016 9 0 "[ . 1 . 2]" 2
478 1 11 LYS QB 1 22 PHE QD . . 5.130 4.928 4.847 4.985 . 0 0 "[ . 1 . 2]" 2
479 1 22 PHE QD 1 28 LEU HG . . 5.450 4.608 4.512 4.670 . 0 0 "[ . 1 . 2]" 2
480 1 22 PHE QD 1 28 LEU HB2 . . 4.090 2.288 2.219 2.403 . 0 0 "[ . 1 . 2]" 2
481 1 22 PHE QD 1 28 LEU MD2 . . 3.920 2.887 2.810 2.958 . 0 0 "[ . 1 . 2]" 2
482 1 13 PHE QD 1 22 PHE H . . 4.990 4.156 4.131 4.174 . 0 0 "[ . 1 . 2]" 2
483 1 13 PHE HA 1 13 PHE QD . . 3.840 2.884 2.864 2.906 . 0 0 "[ . 1 . 2]" 2
484 1 12 PRO HA 1 13 PHE QD . . 5.040 4.778 4.753 4.793 . 0 0 "[ . 1 . 2]" 2
485 1 13 PHE QD 1 24 GLY HA3 . . 4.890 4.781 4.694 4.821 . 0 0 "[ . 1 . 2]" 2
486 1 12 PRO HD3 1 13 PHE QD . . 4.730 4.525 4.483 4.563 . 0 0 "[ . 1 . 2]" 2
487 1 13 PHE QD 1 22 PHE HA . . 5.500 5.343 5.323 5.352 . 0 0 "[ . 1 . 2]" 2
488 1 13 PHE QD 1 22 PHE HB2 . . 4.740 4.243 4.194 4.270 . 0 0 "[ . 1 . 2]" 2
489 1 12 PRO HG2 1 13 PHE QD . . 3.940 1.978 1.966 1.989 . 0 0 "[ . 1 . 2]" 2
490 1 11 LYS QB 1 13 PHE QD . . 4.170 3.508 3.485 3.527 . 0 0 "[ . 1 . 2]" 2
491 1 13 PHE QD 1 25 ARG HG2 . . 4.860 4.438 4.326 4.572 . 0 0 "[ . 1 . 2]" 2
492 1 13 PHE QD 1 25 ARG HG3 . . 5.280 4.509 4.392 4.622 . 0 0 "[ . 1 . 2]" 2
493 1 13 PHE QD 1 28 LEU MD2 . . 3.580 3.219 3.197 3.244 . 0 0 "[ . 1 . 2]" 2
494 1 13 PHE H 1 13 PHE QE . . 5.220 5.026 4.995 5.052 . 0 0 "[ . 1 . 2]" 2
495 1 13 PHE HA 1 13 PHE QE . . 5.110 4.648 4.638 4.657 . 0 0 "[ . 1 . 2]" 2
496 1 13 PHE QE 1 23 CYS HA . . 5.500 4.671 4.605 4.740 . 0 0 "[ . 1 . 2]" 2
497 1 12 PRO HA 1 13 PHE QE . . 5.500 5.526 5.516 5.535 0.035 8 0 "[ . 1 . 2]" 2
498 1 10 GLU HA 1 10 GLU HG2 . . 4.200 3.182 2.201 4.208 0.008 5 0 "[ . 1 . 2]" 2
499 1 13 PHE QE 1 25 ARG HA . . 4.430 4.366 4.318 4.429 . 0 0 "[ . 1 . 2]" 2
500 1 13 PHE QE 1 25 ARG HD3 . . 4.530 2.353 2.012 3.280 . 0 0 "[ . 1 . 2]" 2
501 1 12 PRO HG2 1 13 PHE QE . . 4.130 2.438 2.379 2.487 . 0 0 "[ . 1 . 2]" 2
502 1 13 PHE QE 1 25 ARG HB2 . . 4.170 2.529 2.448 2.638 . 0 0 "[ . 1 . 2]" 2
503 1 13 PHE QE 1 28 LEU MD2 . . 4.830 4.840 4.833 4.853 0.023 20 0 "[ . 1 . 2]" 2
504 1 17 ILE MD 1 35 HIS H . . 4.610 4.292 4.165 4.378 . 0 0 "[ . 1 . 2]" 2
505 1 17 ILE MD 1 35 HIS HD2 . . 3.420 2.337 2.160 2.455 . 0 0 "[ . 1 . 2]" 2
506 1 16 ASP HA 1 17 ILE MD . . 4.560 4.421 4.327 4.494 . 0 0 "[ . 1 . 2]" 2
507 1 17 ILE MD 1 33 MET HA . . 5.500 5.463 5.365 5.505 0.005 2 0 "[ . 1 . 2]" 2
508 1 17 ILE MD 1 32 SER HB2 . . 4.930 3.432 3.313 3.552 . 0 0 "[ . 1 . 2]" 2
509 1 17 ILE MD 1 32 SER HB3 . . 5.500 4.176 4.061 4.307 . 0 0 "[ . 1 . 2]" 2
510 1 17 ILE MD 1 32 SER HA . . 2.990 2.496 2.427 2.570 . 0 0 "[ . 1 . 2]" 2
511 1 17 ILE MD 1 35 HIS HB2 . . 3.430 2.837 2.640 2.976 . 0 0 "[ . 1 . 2]" 2
512 1 15 CYS HB2 1 17 ILE MD . . 4.760 4.541 4.474 4.589 . 0 0 "[ . 1 . 2]" 2
513 1 16 ASP HB2 1 17 ILE MD . . 3.980 2.773 2.726 2.804 . 0 0 "[ . 1 . 2]" 2
514 1 17 ILE HB 1 17 ILE MD . . 2.820 2.092 2.076 2.124 . 0 0 "[ . 1 . 2]" 2
515 1 14 LYS H 1 15 CYS HA . . 5.180 4.663 4.642 4.680 . 0 0 "[ . 1 . 2]" 2
516 1 22 PHE QE 1 28 LEU H . . 5.050 4.806 4.597 4.916 . 0 0 "[ . 1 . 2]" 2
517 1 15 CYS HA 1 22 PHE QE . . 4.840 4.198 4.103 4.273 . 0 0 "[ . 1 . 2]" 2
518 1 22 PHE QE 1 27 ARG QD . . 4.320 3.169 2.214 4.329 0.009 3 0 "[ . 1 . 2]" 2
519 1 22 PHE QE 1 31 HIS HB3 . . 4.150 3.475 3.385 3.526 . 0 0 "[ . 1 . 2]" 2
520 1 20 LYS QG 1 22 PHE QE . . 3.870 3.824 3.812 3.851 . 0 0 "[ . 1 . 2]" 2
521 1 20 LYS HB3 1 22 PHE QE . . 3.900 2.002 1.986 2.085 . 0 0 "[ . 1 . 2]" 2
522 1 14 LYS H 1 14 LYS HB2 . . 3.650 3.429 3.412 3.490 . 0 0 "[ . 1 . 2]" 2
523 1 13 PHE HA 1 14 LYS HB2 . . 4.520 4.332 4.316 4.402 . 0 0 "[ . 1 . 2]" 2
524 1 14 LYS HB2 1 21 SER QB . . 4.500 3.798 3.703 3.826 . 0 0 "[ . 1 . 2]" 2
525 1 15 CYS HA 1 16 ASP HB2 . . 4.610 4.287 4.273 4.308 . 0 0 "[ . 1 . 2]" 2
526 1 14 LYS HB3 1 15 CYS HA . . 5.500 5.113 5.095 5.197 . 0 0 "[ . 1 . 2]" 2
527 1 14 LYS QD 1 15 CYS HA . . 5.500 5.481 5.448 5.532 0.032 5 0 "[ . 1 . 2]" 2
528 1 14 LYS HB2 1 15 CYS H . . 4.360 3.962 3.944 3.984 . 0 0 "[ . 1 . 2]" 2
529 1 30 ARG HA 1 32 SER H . . 4.770 4.294 4.230 4.413 . 0 0 "[ . 1 . 2]" 2
530 1 31 HIS HA 1 34 VAL H . . 4.170 3.233 3.188 3.282 . 0 0 "[ . 1 . 2]" 2
531 1 31 HIS HA 1 33 MET H . . 4.460 3.564 3.516 3.625 . 0 0 "[ . 1 . 2]" 2
532 1 30 ARG HA 1 33 MET H . . 4.340 3.638 3.581 3.696 . 0 0 "[ . 1 . 2]" 2
533 1 22 PHE QE 1 31 HIS HA . . 5.180 4.905 4.790 5.017 . 0 0 "[ . 1 . 2]" 2
534 1 14 LYS HB2 1 21 SER HA . . 4.690 3.967 3.898 3.993 . 0 0 "[ . 1 . 2]" 2
535 1 14 LYS HB3 1 21 SER HA . . 5.010 4.951 4.925 4.965 . 0 0 "[ . 1 . 2]" 2
536 1 13 PHE HA 1 14 LYS HB3 . . 4.480 4.398 4.323 4.411 . 0 0 "[ . 1 . 2]" 2
537 1 31 HIS HA 1 32 SER HA . . 4.870 4.818 4.799 4.836 . 0 0 "[ . 1 . 2]" 2
538 1 14 LYS HB3 1 21 SER QB . . 5.200 5.164 5.098 5.186 . 0 0 "[ . 1 . 2]" 2
539 1 28 LEU HA 1 31 HIS HA . . 5.310 4.995 4.934 5.031 . 0 0 "[ . 1 . 2]" 2
540 1 14 LYS HB2 1 14 LYS QE . . 4.350 4.088 3.994 4.316 . 0 0 "[ . 1 . 2]" 2
541 1 14 LYS HB3 1 14 LYS QE . . 4.130 3.935 3.886 3.995 . 0 0 "[ . 1 . 2]" 2
542 1 30 ARG HA 1 33 MET HG2 . . 3.710 2.660 2.615 2.686 . 0 0 "[ . 1 . 2]" 2
543 1 30 ARG HA 1 33 MET HG3 . . 3.930 2.328 2.155 2.447 . 0 0 "[ . 1 . 2]" 2
544 1 30 ARG HA 1 33 MET HB2 . . 3.750 3.647 3.550 3.751 0.001 20 0 "[ . 1 . 2]" 2
545 1 31 HIS HA 1 34 VAL HB . . 5.050 4.781 4.712 4.850 . 0 0 "[ . 1 . 2]" 2
546 1 30 ARG HA 1 30 ARG HG2 . . 3.570 3.440 3.413 3.491 . 0 0 "[ . 1 . 2]" 2
547 1 28 LEU MD1 1 31 HIS HA . . 5.230 5.012 4.940 5.058 . 0 0 "[ . 1 . 2]" 2
548 1 14 LYS HB2 1 28 LEU MD2 . . 5.190 4.941 4.901 4.984 . 0 0 "[ . 1 . 2]" 2
549 1 14 LYS HB3 1 28 LEU MD2 . . 4.890 4.504 4.472 4.554 . 0 0 "[ . 1 . 2]" 2
550 1 31 HIS HA 1 34 VAL MG1 . . 3.770 2.283 2.047 2.350 . 0 0 "[ . 1 . 2]" 2
551 1 31 HIS HA 1 34 VAL MG2 . . 3.940 2.692 2.494 3.108 . 0 0 "[ . 1 . 2]" 2
552 1 27 ARG HA 1 30 ARG H . . 3.930 3.748 3.667 3.852 . 0 0 "[ . 1 . 2]" 2
553 1 13 PHE QD 1 25 ARG HA . . 4.150 3.826 3.782 3.883 . 0 0 "[ . 1 . 2]" 2
554 1 24 GLY HA3 1 25 ARG HA . . 5.050 4.886 4.858 4.950 . 0 0 "[ . 1 . 2]" 2
555 1 24 GLY HA2 1 25 ARG HA . . 4.520 4.365 4.350 4.401 . 0 0 "[ . 1 . 2]" 2
556 1 27 ARG HA 1 30 ARG QD . . 5.050 4.868 4.487 5.059 0.009 19 0 "[ . 1 . 2]" 2
557 1 13 PHE HB2 1 25 ARG HA . . 4.430 4.142 4.053 4.239 . 0 0 "[ . 1 . 2]" 2
558 1 25 ARG HA 1 28 LEU HB3 . . 3.380 2.104 1.989 2.154 . 0 0 "[ . 1 . 2]" 2
559 1 27 ARG HA 1 27 ARG HG2 . . 3.790 2.765 2.164 3.765 . 0 0 "[ . 1 . 2]" 2
560 1 27 ARG HA 1 30 ARG HG2 . . 4.200 2.960 2.773 3.106 . 0 0 "[ . 1 . 2]" 2
561 1 25 ARG HA 1 28 LEU MD2 . . 3.590 3.278 3.147 3.352 . 0 0 "[ . 1 . 2]" 2
562 1 13 PHE HZ 1 25 ARG HB2 . . 4.600 3.094 3.008 3.242 . 0 0 "[ . 1 . 2]" 2
563 1 13 PHE HZ 1 25 ARG HB3 . . 4.600 4.251 4.135 4.430 . 0 0 "[ . 1 . 2]" 2
564 1 17 ILE HB 1 18 CYS HA . . 4.530 4.424 4.406 4.442 . 0 0 "[ . 1 . 2]" 2
565 1 17 ILE MG 1 18 CYS HA . . 4.000 3.958 3.907 4.009 0.009 17 0 "[ . 1 . 2]" 2
566 1 22 PHE QD 1 28 LEU HA . . 4.730 3.245 3.177 3.291 . 0 0 "[ . 1 . 2]" 2
567 1 22 PHE QE 1 28 LEU HA . . 4.160 3.332 3.282 3.371 . 0 0 "[ . 1 . 2]" 2
568 1 28 LEU HA 1 31 HIS HB3 . . 3.490 2.248 2.148 2.328 . 0 0 "[ . 1 . 2]" 2
569 1 13 PHE HB2 1 22 PHE HA . . 4.740 4.681 4.637 4.713 . 0 0 "[ . 1 . 2]" 2
570 1 28 LEU HA 1 31 HIS HB2 . . 3.910 3.208 3.111 3.266 . 0 0 "[ . 1 . 2]" 2
571 1 11 LYS QB 1 22 PHE HA . . 4.240 3.914 3.811 4.002 . 0 0 "[ . 1 . 2]" 2
572 1 19 GLY H 1 20 LYS HB2 . . 5.120 4.373 4.352 4.397 . 0 0 "[ . 1 . 2]" 2
573 1 20 LYS HB2 1 31 HIS HE1 . . 5.480 4.243 4.102 4.410 . 0 0 "[ . 1 . 2]" 2
574 1 20 LYS HB3 1 31 HIS HE1 . . 4.950 4.781 4.671 4.950 . 0 0 "[ . 1 . 2]" 2
575 1 20 LYS HB3 1 21 SER H . . 3.360 3.235 3.201 3.280 . 0 0 "[ . 1 . 2]" 2
576 1 20 LYS HB2 1 22 PHE QE . . 4.200 2.557 2.530 2.597 . 0 0 "[ . 1 . 2]" 2
577 1 20 LYS HB2 1 31 HIS HD2 . . 4.820 3.264 3.117 3.400 . 0 0 "[ . 1 . 2]" 2
578 1 20 LYS HB2 1 22 PHE HZ . . 4.410 3.231 3.096 3.322 . 0 0 "[ . 1 . 2]" 2
579 1 20 LYS HA 1 21 SER HA . . 4.680 4.371 4.369 4.374 . 0 0 "[ . 1 . 2]" 2
580 1 20 LYS HA 1 20 LYS HD3 . . 3.410 2.177 2.132 2.209 . 0 0 "[ . 1 . 2]" 2
581 1 20 LYS HB2 1 20 LYS HD3 . . 3.610 3.591 3.582 3.618 0.008 17 0 "[ . 1 . 2]" 2
582 1 20 LYS HB3 1 22 PHE QD . . 4.880 3.848 3.831 3.869 . 0 0 "[ . 1 . 2]" 2
583 1 20 LYS HA 1 22 PHE QE . . 4.880 4.041 3.950 4.136 . 0 0 "[ . 1 . 2]" 2
584 1 15 CYS HB2 1 20 LYS HA . . 4.840 3.907 3.869 3.954 . 0 0 "[ . 1 . 2]" 2
585 1 15 CYS HB2 1 20 LYS HB3 . . 4.620 3.215 3.178 3.251 . 0 0 "[ . 1 . 2]" 2
586 1 20 LYS HA 1 20 LYS QG . . 3.270 2.491 2.474 2.517 . 0 0 "[ . 1 . 2]" 2
587 1 32 SER HB3 1 33 MET HA . . 4.450 4.392 4.363 4.408 . 0 0 "[ . 1 . 2]" 2
588 1 32 SER HA 1 33 MET HA . . 5.170 4.674 4.658 4.697 . 0 0 "[ . 1 . 2]" 2
589 1 33 MET HA 1 34 VAL HA . . 5.500 4.778 4.745 4.805 . 0 0 "[ . 1 . 2]" 2
590 1 33 MET HA 1 33 MET HG2 . . 3.540 3.024 3.009 3.052 . 0 0 "[ . 1 . 2]" 2
591 1 33 MET HA 1 33 MET ME . . 3.440 2.717 2.556 2.797 . 0 0 "[ . 1 . 2]" 2
592 1 11 LYS QB 1 13 PHE HA . . 5.220 4.752 4.733 4.768 . 0 0 "[ . 1 . 2]" 2
593 1 33 MET HA 1 34 VAL MG1 . . 4.860 4.765 4.632 4.819 . 0 0 "[ . 1 . 2]" 2
594 1 33 MET HA 1 34 VAL MG2 . . 5.350 5.021 4.974 5.140 . 0 0 "[ . 1 . 2]" 2
595 1 21 SER HA 1 22 PHE QD . . 3.950 2.678 2.580 2.781 . 0 0 "[ . 1 . 2]" 2
596 1 21 SER HA 1 22 PHE QE . . 4.580 3.910 3.801 3.995 . 0 0 "[ . 1 . 2]" 2
597 1 22 PHE HZ 1 28 LEU HA . . 4.850 3.798 3.705 3.842 . 0 0 "[ . 1 . 2]" 2
598 1 22 PHE HZ 1 31 HIS HB3 . . 4.100 3.228 3.187 3.262 . 0 0 "[ . 1 . 2]" 2
599 1 13 PHE HB2 1 21 SER HA . . 4.910 4.220 4.182 4.241 . 0 0 "[ . 1 . 2]" 2
600 1 15 CYS HB2 1 21 SER HA . . 5.450 4.537 4.525 4.550 . 0 0 "[ . 1 . 2]" 2
601 1 22 PHE HZ 1 31 HIS HB2 . . 4.420 3.029 2.911 3.101 . 0 0 "[ . 1 . 2]" 2
602 1 20 LYS QG 1 22 PHE HZ . . 3.580 3.372 3.301 3.478 . 0 0 "[ . 1 . 2]" 2
603 1 11 LYS QB 1 21 SER HA . . 3.970 3.739 3.685 3.795 . 0 0 "[ . 1 . 2]" 2
604 1 20 LYS HB3 1 22 PHE HZ . . 3.860 2.485 2.423 2.562 . 0 0 "[ . 1 . 2]" 2
605 1 14 LYS QG 1 21 SER HA . . 4.280 3.768 3.744 3.836 . 0 0 "[ . 1 . 2]" 2
606 1 22 PHE HZ 1 28 LEU MD1 . . 4.580 3.576 3.447 3.646 . 0 0 "[ . 1 . 2]" 2
607 1 21 SER HA 1 28 LEU MD1 . . 5.030 4.369 4.343 4.384 . 0 0 "[ . 1 . 2]" 2
608 1 21 SER HA 1 28 LEU MD2 . . 5.230 3.990 3.955 4.028 . 0 0 "[ . 1 . 2]" 2
609 1 11 LYS QB 1 13 PHE QE . . 5.420 5.438 5.423 5.450 0.030 2 0 "[ . 1 . 2]" 2
610 1 16 ASP HA 1 17 ILE HA . . 4.730 4.651 4.645 4.656 . 0 0 "[ . 1 . 2]" 2
611 1 14 LYS QE 1 16 ASP HA . . 4.400 4.305 4.017 4.418 0.018 5 0 "[ . 1 . 2]" 2
612 1 16 ASP HA 1 16 ASP HB3 . . 3.000 2.670 2.661 2.675 . 0 0 "[ . 1 . 2]" 2
613 1 37 ALA MB 1 38 GLU HA . . 4.570 4.231 4.095 4.510 . 0 0 "[ . 1 . 2]" 2
614 1 17 ILE HB 1 35 HIS HD2 . . 3.720 3.579 3.430 3.647 . 0 0 "[ . 1 . 2]" 2
615 1 11 LYS QB 1 23 CYS HA . . 4.400 2.774 2.699 2.839 . 0 0 "[ . 1 . 2]" 2
616 1 10 GLU HA 1 11 LYS QB . . 4.660 4.357 4.123 4.660 . 0 0 "[ . 1 . 2]" 2
617 1 32 SER HB2 1 35 HIS HD2 . . 4.620 4.359 4.336 4.434 . 0 0 "[ . 1 . 2]" 2
618 1 39 LYS HB3 1 40 PRO HD3 . . 4.950 3.703 3.439 4.724 . 0 0 "[ . 1 . 2]" 2
619 1 35 HIS HB3 1 35 HIS HD2 . . 3.930 3.831 3.816 3.844 . 0 0 "[ . 1 . 2]" 2
620 1 11 LYS QB 1 11 LYS QE . . 3.860 3.355 3.084 3.753 . 0 0 "[ . 1 . 2]" 2
621 1 10 GLU HA 1 11 LYS QD . . 3.990 3.414 2.931 3.969 . 0 0 "[ . 1 . 2]" 2
622 1 17 ILE MG 1 35 HIS HD2 . . 4.300 4.248 4.149 4.300 0.000 16 0 "[ . 1 . 2]" 2
623 1 18 CYS HB3 1 35 HIS HE1 . . 3.130 2.103 2.005 2.272 . 0 0 "[ . 1 . 2]" 2
624 1 18 CYS HB3 1 20 LYS H . . 4.760 4.383 4.361 4.403 . 0 0 "[ . 1 . 2]" 2
625 1 18 CYS HB2 1 20 LYS H . . 4.600 3.754 3.685 3.795 . 0 0 "[ . 1 . 2]" 2
626 1 12 PRO HB2 1 13 PHE QE . . 4.800 3.315 3.296 3.339 . 0 0 "[ . 1 . 2]" 2
627 1 33 MET H 1 33 MET HB3 . . 3.790 3.638 3.624 3.648 . 0 0 "[ . 1 . 2]" 2
628 1 18 CYS HA 1 18 CYS HB2 . . 2.920 2.452 2.446 2.462 . 0 0 "[ . 1 . 2]" 2
629 1 18 CYS HA 1 18 CYS HB3 . . 3.010 2.454 2.443 2.460 . 0 0 "[ . 1 . 2]" 2
630 1 30 ARG HA 1 33 MET HB3 . . 4.840 4.691 4.593 4.780 . 0 0 "[ . 1 . 2]" 2
631 1 33 MET HB3 1 34 VAL HA . . 4.840 4.786 4.757 4.830 . 0 0 "[ . 1 . 2]" 2
632 1 33 MET HB2 1 34 VAL HA . . 4.740 4.139 4.108 4.157 . 0 0 "[ . 1 . 2]" 2
633 1 18 CYS HB2 1 19 GLY HA3 . . 5.140 5.136 5.115 5.157 0.017 20 0 "[ . 1 . 2]" 2
634 1 39 LYS HB3 1 40 PRO HD2 . . 4.950 2.327 1.999 3.716 . 0 0 "[ . 1 . 2]" 2
635 1 18 CYS HB3 1 20 LYS QG . . 4.760 4.114 4.084 4.143 . 0 0 "[ . 1 . 2]" 2
636 1 18 CYS HB2 1 20 LYS QG . . 4.480 3.255 3.187 3.311 . 0 0 "[ . 1 . 2]" 2
637 1 17 ILE HB 1 18 CYS HB3 . . 4.270 3.706 3.675 3.734 . 0 0 "[ . 1 . 2]" 2
638 1 17 ILE MD 1 18 CYS HB3 . . 5.090 5.012 4.964 5.040 . 0 0 "[ . 1 . 2]" 2
639 1 33 MET HB3 1 34 VAL MG1 . . 4.910 4.560 4.440 4.590 . 0 0 "[ . 1 . 2]" 2
640 1 12 PRO HB3 1 13 PHE H . . 4.580 4.522 4.518 4.529 . 0 0 "[ . 1 . 2]" 2
641 1 12 PRO HB3 1 13 PHE QE . . 4.640 4.567 4.552 4.582 . 0 0 "[ . 1 . 2]" 2
642 1 12 PRO HB2 1 13 PHE QD . . 4.680 3.519 3.504 3.541 . 0 0 "[ . 1 . 2]" 2
643 1 12 PRO HB3 1 13 PHE QD . . 4.940 4.655 4.641 4.663 . 0 0 "[ . 1 . 2]" 2
644 1 12 PRO HB2 1 13 PHE HA . . 4.680 4.635 4.624 4.644 . 0 0 "[ . 1 . 2]" 2
645 1 29 ASN HA 1 32 SER HB3 . . 4.520 3.447 3.371 3.503 . 0 0 "[ . 1 . 2]" 2
646 1 28 LEU HB3 1 29 ASN HA . . 4.530 4.469 4.403 4.522 . 0 0 "[ . 1 . 2]" 2
647 1 28 LEU HG 1 29 ASN HA . . 3.850 3.084 3.039 3.157 . 0 0 "[ . 1 . 2]" 2
648 1 25 ARG HG3 1 29 ASN HA . . 4.650 4.005 3.897 4.093 . 0 0 "[ . 1 . 2]" 2
649 1 28 LEU MD1 1 29 ASN HA . . 4.000 3.838 3.789 3.917 . 0 0 "[ . 1 . 2]" 2
650 1 33 MET HG3 1 34 VAL H . . 4.840 4.806 4.753 4.841 0.001 13 0 "[ . 1 . 2]" 2
651 1 33 MET HA 1 33 MET HG3 . . 4.020 3.897 3.888 3.911 . 0 0 "[ . 1 . 2]" 2
652 1 32 SER HA 1 33 MET HG2 . . 5.140 4.904 4.861 4.968 . 0 0 "[ . 1 . 2]" 2
653 1 33 MET ME 1 33 MET HG2 . . 3.010 2.051 2.027 2.106 . 0 0 "[ . 1 . 2]" 2
654 1 15 CYS H 1 31 HIS HD2 . . 5.500 5.466 5.366 5.506 0.006 15 0 "[ . 1 . 2]" 2
655 1 31 HIS H 1 31 HIS HD2 . . 5.050 4.924 4.854 5.012 . 0 0 "[ . 1 . 2]" 2
656 1 22 PHE QD 1 31 HIS HD2 . . 4.900 4.823 4.723 4.902 0.002 9 0 "[ . 1 . 2]" 2
657 1 22 PHE HZ 1 31 HIS HD2 . . 4.840 3.001 2.804 3.131 . 0 0 "[ . 1 . 2]" 2
658 1 15 CYS HA 1 31 HIS HD2 . . 4.560 4.262 4.197 4.318 . 0 0 "[ . 1 . 2]" 2
659 1 31 HIS HA 1 31 HIS HD2 . . 4.830 4.670 4.635 4.717 . 0 0 "[ . 1 . 2]" 2
660 1 31 HIS HD2 1 32 SER HB2 . . 4.670 4.154 3.991 4.317 . 0 0 "[ . 1 . 2]" 2
661 1 31 HIS HD2 1 32 SER HA . . 4.080 3.623 3.496 3.781 . 0 0 "[ . 1 . 2]" 2
662 1 15 CYS HB3 1 31 HIS HD2 . . 4.530 4.348 4.249 4.401 . 0 0 "[ . 1 . 2]" 2
663 1 28 LEU HA 1 31 HIS HD2 . . 4.830 4.001 3.880 4.141 . 0 0 "[ . 1 . 2]" 2
664 1 15 CYS HB2 1 31 HIS HD2 . . 3.500 3.242 3.111 3.329 . 0 0 "[ . 1 . 2]" 2
665 1 20 LYS QG 1 31 HIS HD2 . . 4.560 4.411 4.293 4.559 . 0 0 "[ . 1 . 2]" 2
666 1 20 LYS HB3 1 31 HIS HD2 . . 4.880 3.949 3.817 4.080 . 0 0 "[ . 1 . 2]" 2
667 1 28 LEU MD1 1 31 HIS HD2 . . 3.360 2.452 2.351 2.536 . 0 0 "[ . 1 . 2]" 2
668 1 34 VAL H 1 34 VAL HB . . 3.610 3.615 3.610 3.623 0.013 14 0 "[ . 1 . 2]" 2
669 1 34 VAL HB 1 35 HIS H . . 4.220 4.167 4.111 4.252 0.032 2 0 "[ . 1 . 2]" 2
670 1 38 GLU H 1 38 GLU HB3 . . 4.110 3.336 2.647 3.808 . 0 0 "[ . 1 . 2]" 2
671 1 11 LYS HA 1 23 CYS HA . . 4.120 3.771 3.677 3.845 . 0 0 "[ . 1 . 2]" 2
672 1 11 LYS HA 1 23 CYS HB3 . . 5.500 4.986 4.854 5.093 . 0 0 "[ . 1 . 2]" 2
673 1 11 LYS HA 1 23 CYS HB2 . . 5.500 5.526 5.517 5.532 0.032 2 0 "[ . 1 . 2]" 2
674 1 11 LYS HA 1 12 PRO HG2 . . 4.830 4.572 4.537 4.612 . 0 0 "[ . 1 . 2]" 2
675 1 30 ARG QB 1 31 HIS HA . . 4.430 3.820 3.803 3.831 . 0 0 "[ . 1 . 2]" 2
676 1 29 ASN HB3 1 30 ARG QB . . 5.500 4.986 4.933 5.030 . 0 0 "[ . 1 . 2]" 2
677 1 29 ASN H 1 30 ARG QB . . 5.470 5.209 5.145 5.292 . 0 0 "[ . 1 . 2]" 2
678 1 15 CYS HB2 1 19 GLY H . . 3.870 3.624 3.601 3.647 . 0 0 "[ . 1 . 2]" 2
679 1 13 PHE QE 1 25 ARG HB3 . . 4.170 3.905 3.808 4.063 . 0 0 "[ . 1 . 2]" 2
680 1 15 CYS HB2 1 22 PHE QD . . 4.540 4.119 4.066 4.150 . 0 0 "[ . 1 . 2]" 2
681 1 15 CYS HB3 1 22 PHE QE . . 4.530 4.182 4.115 4.250 . 0 0 "[ . 1 . 2]" 2
682 1 15 CYS HB2 1 22 PHE QE . . 3.220 2.475 2.413 2.544 . 0 0 "[ . 1 . 2]" 2
683 1 22 PHE QE 1 27 ARG QB . . 4.720 4.089 3.257 4.325 . 0 0 "[ . 1 . 2]" 2
684 1 15 CYS HB2 1 22 PHE HZ . . 4.940 4.387 4.251 4.468 . 0 0 "[ . 1 . 2]" 2
685 1 15 CYS HB3 1 20 LYS HA . . 4.740 4.346 4.274 4.425 . 0 0 "[ . 1 . 2]" 2
686 1 15 CYS HB2 1 19 GLY HA3 . . 5.090 4.916 4.859 4.977 . 0 0 "[ . 1 . 2]" 2
687 1 15 CYS HB3 1 19 GLY HA3 . . 4.330 3.692 3.651 3.733 . 0 0 "[ . 1 . 2]" 2
688 1 22 PHE HB2 1 27 ARG QB . . 4.240 3.716 3.645 3.829 . 0 0 "[ . 1 . 2]" 2
689 1 30 ARG QB 1 33 MET HG3 . . 4.540 3.812 3.662 3.900 . 0 0 "[ . 1 . 2]" 2
690 1 25 ARG HB2 1 28 LEU HB3 . . 4.970 4.507 4.394 4.620 . 0 0 "[ . 1 . 2]" 2
691 1 25 ARG HB3 1 28 LEU HB3 . . 4.970 4.847 4.744 4.906 . 0 0 "[ . 1 . 2]" 2
692 1 15 CYS HB3 1 20 LYS QG . . 4.430 4.358 4.311 4.403 . 0 0 "[ . 1 . 2]" 2
693 1 15 CYS HB3 1 20 LYS HB2 . . 4.310 3.091 3.035 3.146 . 0 0 "[ . 1 . 2]" 2
694 1 14 LYS QG 1 15 CYS HB3 . . 4.370 3.775 3.747 3.800 . 0 0 "[ . 1 . 2]" 2
695 1 14 LYS QG 1 15 CYS HB2 . . 4.560 4.072 4.031 4.125 . 0 0 "[ . 1 . 2]" 2
696 1 15 CYS HB3 1 28 LEU MD1 . . 4.220 4.006 3.972 4.023 . 0 0 "[ . 1 . 2]" 2
697 1 27 ARG QB 1 28 LEU MD1 . . 5.500 5.262 5.126 5.378 . 0 0 "[ . 1 . 2]" 2
698 1 27 ARG QB 1 28 LEU MD2 . . 5.500 5.555 5.521 5.589 0.089 16 0 "[ . 1 . 2]" 2
699 1 14 LYS QD 1 15 CYS H . . 4.650 4.164 4.134 4.270 . 0 0 "[ . 1 . 2]" 2
700 1 14 LYS H 1 14 LYS QD . . 5.010 4.819 4.740 4.845 . 0 0 "[ . 1 . 2]" 2
701 1 20 LYS QG 1 22 PHE QD . . 5.500 5.537 5.517 5.558 0.058 17 0 "[ . 1 . 2]" 2
702 1 11 LYS QD 1 21 SER HA . . 5.380 5.187 5.059 5.309 . 0 0 "[ . 1 . 2]" 2
703 1 11 LYS HA 1 11 LYS QD . . 4.150 3.025 2.575 3.361 . 0 0 "[ . 1 . 2]" 2
704 1 11 LYS QD 1 21 SER QB . . 3.890 3.279 3.106 3.410 . 0 0 "[ . 1 . 2]" 2
705 1 11 LYS QD 1 22 PHE HA . . 5.180 4.332 4.166 4.555 . 0 0 "[ . 1 . 2]" 2
706 1 39 LYS HA 1 39 LYS QD . . 4.360 3.506 1.994 4.350 . 0 0 "[ . 1 . 2]" 2
707 1 22 PHE QD 1 27 ARG HG3 . . 4.670 3.171 2.206 3.836 . 0 0 "[ . 1 . 2]" 2
708 1 35 HIS H 1 35 HIS HB3 . . 3.650 3.552 3.539 3.560 . 0 0 "[ . 1 . 2]" 2
709 1 35 HIS HB2 1 35 HIS HD2 . . 3.620 2.736 2.726 2.746 . 0 0 "[ . 1 . 2]" 2
710 1 27 ARG HA 1 27 ARG HG3 . . 3.790 3.375 2.690 3.665 . 0 0 "[ . 1 . 2]" 2
711 1 32 SER HA 1 35 HIS HB2 . . 4.420 3.498 3.323 3.557 . 0 0 "[ . 1 . 2]" 2
712 1 17 ILE HG13 1 35 HIS HB3 . . 4.910 4.460 4.108 4.604 . 0 0 "[ . 1 . 2]" 2
713 1 17 ILE HG13 1 35 HIS HB2 . . 4.950 4.672 4.396 4.827 . 0 0 "[ . 1 . 2]" 2
714 1 35 HIS HB3 1 36 THR MG . . 5.150 4.993 4.908 5.146 . 0 0 "[ . 1 . 2]" 2
715 1 17 ILE HG12 1 35 HIS HB2 . . 4.570 3.043 2.787 3.201 . 0 0 "[ . 1 . 2]" 2
716 1 17 ILE HG12 1 35 HIS HB3 . . 4.670 2.710 2.359 2.850 . 0 0 "[ . 1 . 2]" 2
717 1 17 ILE MD 1 35 HIS HB3 . . 3.630 3.523 3.341 3.632 0.002 14 0 "[ . 1 . 2]" 2
718 1 17 ILE MG 1 35 HIS HB3 . . 4.150 2.537 2.309 2.658 . 0 0 "[ . 1 . 2]" 2
719 1 17 ILE H 1 17 ILE HG12 . . 3.990 3.832 3.807 3.860 . 0 0 "[ . 1 . 2]" 2
720 1 17 ILE HG13 1 18 CYS H . . 4.480 4.487 4.467 4.501 0.021 16 0 "[ . 1 . 2]" 2
721 1 17 ILE HG13 1 35 HIS HD2 . . 5.060 4.972 4.806 5.064 0.004 18 0 "[ . 1 . 2]" 2
722 1 17 ILE HG12 1 35 HIS HD2 . . 4.510 3.916 3.715 4.023 . 0 0 "[ . 1 . 2]" 2
723 1 17 ILE HA 1 17 ILE HG12 . . 3.720 3.582 3.570 3.597 . 0 0 "[ . 1 . 2]" 2
724 1 23 CYS HB2 1 24 GLY H . . 4.760 3.896 3.796 4.005 . 0 0 "[ . 1 . 2]" 2
725 1 22 PHE QD 1 31 HIS HB3 . . 4.750 4.492 4.431 4.551 . 0 0 "[ . 1 . 2]" 2
726 1 31 HIS HB3 1 31 HIS HD2 . . 3.770 2.718 2.704 2.730 . 0 0 "[ . 1 . 2]" 2
727 1 22 PHE QE 1 31 HIS HB2 . . 3.900 2.771 2.601 2.921 . 0 0 "[ . 1 . 2]" 2
728 1 23 CYS HB2 1 24 GLY HA2 . . 5.350 4.813 4.718 4.894 . 0 0 "[ . 1 . 2]" 2
729 1 31 HIS HB3 1 32 SER HB2 . . 5.500 4.467 4.384 4.524 . 0 0 "[ . 1 . 2]" 2
730 1 12 PRO HG2 1 23 CYS HB3 . . 5.500 5.541 5.524 5.555 0.055 11 0 "[ . 1 . 2]" 2
731 1 30 ARG QB 1 31 HIS HB3 . . 4.810 4.673 4.630 4.734 . 0 0 "[ . 1 . 2]" 2
732 1 30 ARG QB 1 31 HIS HB2 . . 4.680 4.325 4.286 4.365 . 0 0 "[ . 1 . 2]" 2
733 1 11 LYS QB 1 23 CYS HB2 . . 5.170 5.013 4.926 5.098 . 0 0 "[ . 1 . 2]" 2
734 1 28 LEU HG 1 31 HIS HB3 . . 5.490 4.545 4.479 4.583 . 0 0 "[ . 1 . 2]" 2
735 1 11 LYS QB 1 23 CYS HB3 . . 5.500 4.372 4.282 4.432 . 0 0 "[ . 1 . 2]" 2
736 1 11 LYS QD 1 23 CYS HB3 . . 5.500 3.991 3.705 4.409 . 0 0 "[ . 1 . 2]" 2
737 1 11 LYS HG3 1 23 CYS HB2 . . 4.830 3.772 3.660 3.859 . 0 0 "[ . 1 . 2]" 2
738 1 28 LEU HB2 1 31 HIS HB3 . . 5.500 4.357 4.284 4.401 . 0 0 "[ . 1 . 2]" 2
739 1 28 LEU MD1 1 31 HIS HB2 . . 4.250 3.995 3.908 4.046 . 0 0 "[ . 1 . 2]" 2
740 1 29 ASN H 1 31 HIS HB3 . . 4.980 4.893 4.847 4.944 . 0 0 "[ . 1 . 2]" 2
741 1 39 LYS HA 1 40 PRO QG . . 4.500 3.976 3.871 4.073 . 0 0 "[ . 1 . 2]" 2
742 1 30 ARG HG3 1 31 HIS H . . 5.240 4.904 4.826 4.964 . 0 0 "[ . 1 . 2]" 2
743 1 22 PHE QE 1 28 LEU HG . . 5.500 5.103 5.021 5.155 . 0 0 "[ . 1 . 2]" 2
744 1 28 LEU HG 1 29 ASN HD21 . . 5.500 5.288 5.248 5.334 . 0 0 "[ . 1 . 2]" 2
745 1 28 LEU HG 1 31 HIS HD2 . . 5.500 5.057 4.931 5.168 . 0 0 "[ . 1 . 2]" 2
746 1 28 LEU HA 1 28 LEU HG . . 3.980 3.475 3.457 3.488 . 0 0 "[ . 1 . 2]" 2
747 1 29 ASN HB2 1 30 ARG HG2 . . 4.310 3.615 3.521 3.711 . 0 0 "[ . 1 . 2]" 2
748 1 22 PHE HB2 1 28 LEU HG . . 5.070 4.858 4.824 4.899 . 0 0 "[ . 1 . 2]" 2
749 1 30 ARG H 1 30 ARG HG2 . . 3.910 2.004 1.920 2.079 . 0 0 "[ . 1 . 2]" 2
750 1 27 ARG H 1 30 ARG HG2 . . 5.290 4.821 4.714 4.914 . 0 0 "[ . 1 . 2]" 2
751 1 12 PRO HG2 1 23 CYS HA . . 4.620 3.218 3.186 3.264 . 0 0 "[ . 1 . 2]" 2
752 1 30 ARG HA 1 30 ARG HG3 . . 3.790 3.767 3.726 3.809 0.019 7 0 "[ . 1 . 2]" 2
753 1 30 ARG QB 1 30 ARG HG2 . . 2.730 2.276 2.252 2.296 . 0 0 "[ . 1 . 2]" 2
754 1 30 ARG QB 1 30 ARG HG3 . . 2.790 2.158 2.154 2.161 . 0 0 "[ . 1 . 2]" 2
755 1 12 PRO HG3 1 13 PHE H . . 4.950 4.668 4.656 4.687 . 0 0 "[ . 1 . 2]" 2
756 1 12 PRO HG3 1 13 PHE QE . . 4.380 3.416 3.371 3.462 . 0 0 "[ . 1 . 2]" 2
757 1 13 PHE QE 1 25 ARG HG2 . . 4.370 3.908 3.793 4.057 . 0 0 "[ . 1 . 2]" 2
758 1 13 PHE QE 1 25 ARG HG3 . . 4.840 4.731 4.620 4.838 . 0 0 "[ . 1 . 2]" 2
759 1 12 PRO HG3 1 13 PHE QD . . 4.360 3.711 3.702 3.721 . 0 0 "[ . 1 . 2]" 2
760 1 12 PRO HG3 1 23 CYS HA . . 4.790 3.719 3.685 3.783 . 0 0 "[ . 1 . 2]" 2
761 1 25 ARG HA 1 25 ARG HG3 . . 3.670 2.533 2.494 2.574 . 0 0 "[ . 1 . 2]" 2
762 1 39 LYS QG 1 40 PRO HD2 . . 4.780 3.131 1.856 3.959 . 0 0 "[ . 1 . 2]" 2
763 1 39 LYS HA 1 40 PRO HD2 . . 2.940 2.355 2.175 2.509 . 0 0 "[ . 1 . 2]" 2
764 1 39 LYS HA 1 40 PRO HD3 . . 2.940 2.291 2.253 2.349 . 0 0 "[ . 1 . 2]" 2
765 1 39 LYS HB2 1 40 PRO HD3 . . 4.950 4.707 3.632 4.911 . 0 0 "[ . 1 . 2]" 2
766 1 39 LYS HB2 1 40 PRO HD2 . . 4.950 3.661 2.225 3.970 . 0 0 "[ . 1 . 2]" 2
767 1 39 LYS QG 1 40 PRO HD3 . . 4.780 3.950 3.222 4.689 . 0 0 "[ . 1 . 2]" 2
768 1 12 PRO HD3 1 13 PHE H . . 4.600 4.068 4.062 4.078 . 0 0 "[ . 1 . 2]" 2
769 1 12 PRO HD2 1 13 PHE QD . . 4.730 3.198 3.138 3.247 . 0 0 "[ . 1 . 2]" 2
770 1 12 PRO HD2 1 23 CYS HA . . 4.220 1.962 1.956 1.970 . 0 0 "[ . 1 . 2]" 2
771 1 12 PRO HD3 1 23 CYS HA . . 4.220 3.375 3.362 3.395 . 0 0 "[ . 1 . 2]" 2
772 1 11 LYS HA 1 12 PRO HD2 . . 3.010 2.473 2.429 2.522 . 0 0 "[ . 1 . 2]" 2
773 1 11 LYS HA 1 12 PRO HD3 . . 3.010 2.332 2.312 2.356 . 0 0 "[ . 1 . 2]" 2
774 1 11 LYS QB 1 12 PRO HD3 . . 3.540 3.443 3.362 3.531 . 0 0 "[ . 1 . 2]" 2
775 1 11 LYS QB 1 12 PRO HD2 . . 3.540 2.097 1.993 2.215 . 0 0 "[ . 1 . 2]" 2
776 1 20 LYS HB3 1 20 LYS HD3 . . 3.080 2.530 2.505 2.576 . 0 0 "[ . 1 . 2]" 2
777 1 11 LYS HG2 1 12 PRO HD3 . . 4.990 4.772 4.649 4.858 . 0 0 "[ . 1 . 2]" 2
778 1 11 LYS HG3 1 12 PRO HD2 . . 4.340 2.478 2.428 2.570 . 0 0 "[ . 1 . 2]" 2
779 1 20 LYS HD2 1 31 HIS HE1 . . 5.040 4.723 4.631 4.873 . 0 0 "[ . 1 . 2]" 2
780 1 20 LYS HD2 1 21 SER H . . 4.270 4.207 4.173 4.243 . 0 0 "[ . 1 . 2]" 2
781 1 28 LEU H 1 28 LEU MD2 . . 4.430 4.190 4.172 4.201 . 0 0 "[ . 1 . 2]" 2
782 1 22 PHE QE 1 28 LEU MD2 . . 4.410 3.945 3.883 4.024 . 0 0 "[ . 1 . 2]" 2
783 1 20 LYS HD2 1 22 PHE QE . . 4.540 4.215 4.118 4.295 . 0 0 "[ . 1 . 2]" 2
784 1 20 LYS HD3 1 22 PHE QE . . 4.540 4.281 4.255 4.346 . 0 0 "[ . 1 . 2]" 2
785 1 20 LYS HD2 1 22 PHE HZ . . 4.610 3.758 3.606 3.876 . 0 0 "[ . 1 . 2]" 2
786 1 20 LYS HD3 1 22 PHE HZ . . 4.780 4.510 4.401 4.623 . 0 0 "[ . 1 . 2]" 2
787 1 13 PHE HA 1 28 LEU MD2 . . 4.100 3.857 3.837 3.882 . 0 0 "[ . 1 . 2]" 2
788 1 20 LYS HA 1 20 LYS HD2 . . 3.730 3.676 3.648 3.694 . 0 0 "[ . 1 . 2]" 2
789 1 28 LEU MD2 1 32 SER HB2 . . 5.070 4.816 4.706 4.955 . 0 0 "[ . 1 . 2]" 2
790 1 28 LEU HA 1 28 LEU MD2 . . 3.970 3.897 3.866 3.915 . 0 0 "[ . 1 . 2]" 2
791 1 13 PHE HB2 1 28 LEU MD2 . . 3.480 2.947 2.887 3.013 . 0 0 "[ . 1 . 2]" 2
792 1 20 LYS HB3 1 20 LYS HD2 . . 3.170 2.758 2.678 2.787 . 0 0 "[ . 1 . 2]" 2
793 1 28 LEU HB2 1 28 LEU MD2 . . 3.290 2.240 2.206 2.268 . 0 0 "[ . 1 . 2]" 2
794 1 42 GLY HA2 1 43 PRO QD . . 3.110 2.246 2.005 2.715 . 0 0 "[ . 1 . 2]" 2
795 1 11 LYS HA 1 11 LYS HG2 . . 3.840 3.594 3.573 3.607 . 0 0 "[ . 1 . 2]" 2
796 1 11 LYS HA 1 11 LYS HG3 . . 3.720 2.335 2.285 2.372 . 0 0 "[ . 1 . 2]" 2
797 1 11 LYS HG2 1 12 PRO HD2 . . 4.990 3.424 3.299 3.521 . 0 0 "[ . 1 . 2]" 2
798 1 11 LYS HG3 1 12 PRO HD3 . . 4.340 3.339 3.274 3.437 . 0 0 "[ . 1 . 2]" 2
799 1 11 LYS HG3 1 12 PRO HG2 . . 4.870 4.689 4.633 4.782 . 0 0 "[ . 1 . 2]" 2
800 1 14 LYS QG 1 19 GLY H . . 4.680 4.307 4.283 4.341 . 0 0 "[ . 1 . 2]" 2
801 1 14 LYS QG 1 20 LYS H . . 5.210 4.327 4.301 4.352 . 0 0 "[ . 1 . 2]" 2
802 1 14 LYS QG 1 21 SER H . . 5.500 4.664 4.638 4.723 . 0 0 "[ . 1 . 2]" 2
803 1 14 LYS QG 1 16 ASP HA . . 4.600 4.588 4.497 4.601 0.001 12 0 "[ . 1 . 2]" 2
804 1 42 GLY HA3 1 43 PRO QD . . 3.110 2.391 1.920 2.717 . 0 0 "[ . 1 . 2]" 2
805 1 22 PHE HB3 1 27 ARG QB . . 3.630 2.503 2.388 2.641 . 0 0 "[ . 1 . 2]" 2
806 1 16 ASP HB2 1 17 ILE HG12 . . 5.390 5.274 5.239 5.296 . 0 0 "[ . 1 . 2]" 2
807 1 17 ILE MD 1 17 ILE MG . . 3.170 3.133 3.131 3.138 . 0 0 "[ . 1 . 2]" 2
808 1 11 LYS QE 1 11 LYS HG3 . . 3.490 2.293 2.062 2.635 . 0 0 "[ . 1 . 2]" 2
809 1 12 PRO HB3 1 23 CYS HA . . 5.500 5.523 5.502 5.560 0.060 12 0 "[ . 1 . 2]" 2
810 1 12 PRO HG2 1 13 PHE HZ . . 4.930 4.529 4.472 4.580 . 0 0 "[ . 1 . 2]" 2
811 1 13 PHE HZ 1 24 GLY HA2 . . 4.960 4.196 4.065 4.282 . 0 0 "[ . 1 . 2]" 2
812 1 15 CYS HB2 1 20 LYS HB2 . . 4.420 2.279 2.240 2.306 . 0 0 "[ . 1 . 2]" 2
813 1 10 GLU HA 1 10 GLU HG3 . . 4.200 3.363 2.259 4.198 . 0 0 "[ . 1 . 2]" 2
814 1 15 CYS HB3 1 20 LYS HB3 . . 4.630 4.475 4.407 4.542 . 0 0 "[ . 1 . 2]" 2
815 1 25 ARG HA 1 25 ARG HG2 . . 3.730 3.687 3.652 3.708 . 0 0 "[ . 1 . 2]" 2
816 1 27 ARG QB 1 27 ARG QD . . 3.050 2.286 2.111 2.677 . 0 0 "[ . 1 . 2]" 2
817 1 29 ASN HB2 1 30 ARG QB . . 5.270 4.924 4.902 4.967 . 0 0 "[ . 1 . 2]" 2
818 1 36 THR HB 1 37 ALA H . . 4.550 4.312 4.016 4.564 0.014 8 0 "[ . 1 . 2]" 2
819 1 34 VAL HA 1 37 ALA MB . . 4.010 2.382 2.116 2.732 . 0 0 "[ . 1 . 2]" 2
820 1 17 ILE HB 1 18 CYS HB2 . . 5.430 5.178 5.160 5.196 . 0 0 "[ . 1 . 2]" 2
821 1 9 GLY QA 1 10 GLU H . . 3.060 2.272 2.116 2.680 . 0 0 "[ . 1 . 2]" 2
822 1 10 GLU H 1 10 GLU QB . . 3.300 2.605 2.222 3.087 . 0 0 "[ . 1 . 2]" 2
823 1 10 GLU H 1 10 GLU QG . . 4.440 2.851 1.885 4.148 . 0 0 "[ . 1 . 2]" 2
824 1 10 GLU QB 1 11 LYS H . . 3.680 2.431 1.975 3.274 . 0 0 "[ . 1 . 2]" 2
825 1 10 GLU QB 1 11 LYS HA . . 4.700 4.438 4.228 4.663 . 0 0 "[ . 1 . 2]" 2
826 1 10 GLU QB 1 11 LYS QE . . 5.340 4.658 3.865 5.352 0.012 1 0 "[ . 1 . 2]" 2
827 1 10 GLU QB 1 21 SER QB . . 5.100 4.015 3.083 5.104 0.004 4 0 "[ . 1 . 2]" 2
828 1 10 GLU QG 1 11 LYS H . . 4.520 3.494 1.986 4.280 . 0 0 "[ . 1 . 2]" 2
829 1 11 LYS H 1 12 PRO QD . . 4.690 4.360 4.321 4.377 . 0 0 "[ . 1 . 2]" 2
830 1 11 LYS HG2 1 12 PRO QD . . 4.300 3.352 3.234 3.442 . 0 0 "[ . 1 . 2]" 2
831 1 11 LYS QE 1 12 PRO QD . . 4.120 3.662 3.334 3.977 . 0 0 "[ . 1 . 2]" 2
832 1 12 PRO QD 1 13 PHE H . . 3.990 2.989 2.979 3.006 . 0 0 "[ . 1 . 2]" 2
833 1 12 PRO QD 1 13 PHE QD . . 4.140 3.136 3.081 3.182 . 0 0 "[ . 1 . 2]" 2
834 1 12 PRO QD 1 13 PHE QE . . 5.320 4.283 4.216 4.336 . 0 0 "[ . 1 . 2]" 2
835 1 12 PRO QD 1 23 CYS HA . . 3.540 1.950 1.944 1.957 . 0 0 "[ . 1 . 2]" 2
836 1 13 PHE QD 1 25 ARG QD . . 3.930 1.955 1.855 2.051 . 0 0 "[ . 1 . 2]" 2
837 1 13 PHE QE 1 25 ARG QD . . 3.690 2.323 1.997 3.198 . 0 0 "[ . 1 . 2]" 2
838 1 13 PHE HZ 1 25 ARG QB . . 3.970 3.022 2.952 3.154 . 0 0 "[ . 1 . 2]" 2
839 1 20 LYS H 1 20 LYS QE . . 5.020 4.756 4.562 5.055 0.035 9 0 "[ . 1 . 2]" 2
840 1 20 LYS HA 1 20 LYS QE . . 4.360 3.375 3.125 3.789 . 0 0 "[ . 1 . 2]" 2
841 1 20 LYS HB2 1 20 LYS QE . . 4.690 4.356 4.227 4.475 . 0 0 "[ . 1 . 2]" 2
842 1 20 LYS HB3 1 20 LYS QE . . 4.510 4.052 3.990 4.122 . 0 0 "[ . 1 . 2]" 2
843 1 20 LYS QE 1 20 LYS QG . . 2.810 2.180 2.040 2.309 . 0 0 "[ . 1 . 2]" 2
844 1 20 LYS QE 1 21 SER H . . 4.600 4.362 4.128 4.620 0.020 2 0 "[ . 1 . 2]" 2
845 1 22 PHE QD 1 27 ARG QG . . 3.870 2.974 1.971 3.615 . 0 0 "[ . 1 . 2]" 2
846 1 22 PHE QE 1 27 ARG QG . . 5.320 3.955 2.657 4.990 . 0 0 "[ . 1 . 2]" 2
847 1 24 GLY HA2 1 25 ARG QB . . 4.320 4.062 4.050 4.070 . 0 0 "[ . 1 . 2]" 2
848 1 25 ARG H 1 25 ARG QB . . 3.330 2.173 2.131 2.193 . 0 0 "[ . 1 . 2]" 2
849 1 25 ARG QB 1 25 ARG QD . . 3.200 2.164 2.044 2.326 . 0 0 "[ . 1 . 2]" 2
850 1 25 ARG QB 1 28 LEU HB3 . . 4.270 4.147 4.059 4.214 . 0 0 "[ . 1 . 2]" 2
851 1 25 ARG QB 1 28 LEU MD2 . . 4.670 4.254 4.110 4.389 . 0 0 "[ . 1 . 2]" 2
852 1 25 ARG QB 1 29 ASN HD21 . . 4.550 3.073 2.817 3.212 . 0 0 "[ . 1 . 2]" 2
853 1 25 ARG QB 1 29 ASN HD22 . . 4.640 3.378 3.151 3.502 . 0 0 "[ . 1 . 2]" 2
854 1 25 ARG QD 1 28 LEU HB3 . . 4.020 3.040 2.937 3.189 . 0 0 "[ . 1 . 2]" 2
855 1 25 ARG QD 1 28 LEU HG . . 4.240 3.443 2.997 3.808 . 0 0 "[ . 1 . 2]" 2
856 1 25 ARG QD 1 28 LEU MD2 . . 3.620 2.240 2.054 2.460 . 0 0 "[ . 1 . 2]" 2
857 1 25 ARG QD 1 29 ASN H . . 4.530 4.003 3.761 4.163 . 0 0 "[ . 1 . 2]" 2
858 1 25 ARG QD 1 29 ASN HD21 . . 4.660 4.251 4.023 4.336 . 0 0 "[ . 1 . 2]" 2
859 1 25 ARG QD 1 29 ASN HD22 . . 4.580 3.780 3.456 3.880 . 0 0 "[ . 1 . 2]" 2
860 1 27 ARG HA 1 27 ARG QG . . 3.120 2.463 2.143 2.929 . 0 0 "[ . 1 . 2]" 2
861 1 38 GLU H 1 38 GLU QG . . 3.540 2.643 1.890 3.393 . 0 0 "[ . 1 . 2]" 2
862 1 38 GLU HA 1 39 LYS QB . . 4.630 4.353 4.133 4.634 0.004 13 0 "[ . 1 . 2]" 2
863 1 38 GLU QB 1 39 LYS H . . 4.390 3.248 2.163 4.043 . 0 0 "[ . 1 . 2]" 2
864 1 39 LYS H 1 39 LYS QB . . 3.040 2.354 2.156 2.544 . 0 0 "[ . 1 . 2]" 2
865 1 39 LYS H 1 40 PRO QD . . 4.540 4.341 4.293 4.380 . 0 0 "[ . 1 . 2]" 2
866 1 39 LYS QB 1 40 PRO QD . . 3.210 2.201 1.975 3.253 0.043 8 0 "[ . 1 . 2]" 2
867 1 39 LYS QG 1 40 PRO QD . . 3.960 3.011 1.845 3.760 . 0 0 "[ . 1 . 2]" 2
868 1 39 LYS QD 1 40 PRO QD . . 5.350 3.381 1.905 4.790 . 0 0 "[ . 1 . 2]" 2
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