NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
599300 |
2n2v   |
25613 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2n2v
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 837
_Distance_constraint_stats_list.Viol_count 1434
_Distance_constraint_stats_list.Viol_total 3515.718
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0270
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0047
_Distance_constraint_stats_list.Viol_average_violations_only 0.0817
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 1.902 0.309 28 0 "[ . 1 . 2 . 3]"
1 2 ILE 2.496 0.309 28 0 "[ . 1 . 2 . 3]"
1 3 VAL 2.468 0.201 30 0 "[ . 1 . 2 . 3]"
1 4 GLU 3.678 0.323 27 0 "[ . 1 . 2 . 3]"
1 5 GLN 0.066 0.020 10 0 "[ . 1 . 2 . 3]"
1 6 CYS 4.988 0.438 1 0 "[ . 1 . 2 . 3]"
1 7 CYS 2.913 0.220 21 0 "[ . 1 . 2 . 3]"
1 8 THR 7.020 0.323 27 0 "[ . 1 . 2 . 3]"
1 9 SER 2.386 0.182 23 0 "[ . 1 . 2 . 3]"
1 10 ILE 9.360 0.438 26 0 "[ . 1 . 2 . 3]"
1 11 CYS 0.089 0.045 27 0 "[ . 1 . 2 . 3]"
1 12 SER 1.216 0.113 14 0 "[ . 1 . 2 . 3]"
1 13 LEU 11.929 0.499 9 0 "[ . 1 . 2 . 3]"
1 14 TYR 7.467 0.358 15 0 "[ . 1 . 2 . 3]"
1 15 GLN 8.451 0.400 14 0 "[ . 1 . 2 . 3]"
1 16 LEU 8.688 0.400 14 0 "[ . 1 . 2 . 3]"
1 17 GLU 2.097 0.499 9 0 "[ . 1 . 2 . 3]"
1 18 ASN 2.058 0.145 18 0 "[ . 1 . 2 . 3]"
1 19 TYR 6.386 0.431 25 0 "[ . 1 . 2 . 3]"
1 20 CYS 3.090 0.228 26 0 "[ . 1 . 2 . 3]"
1 21 ASN 0.724 0.130 27 0 "[ . 1 . 2 . 3]"
2 1 PHE 3.428 0.222 25 0 "[ . 1 . 2 . 3]"
2 2 VAL 0.660 0.162 11 0 "[ . 1 . 2 . 3]"
2 3 ASN 2.181 0.255 20 0 "[ . 1 . 2 . 3]"
2 4 GLN 1.761 0.323 22 0 "[ . 1 . 2 . 3]"
2 5 HIS 8.099 0.438 26 0 "[ . 1 . 2 . 3]"
2 6 LEU 2.909 0.308 14 0 "[ . 1 . 2 . 3]"
2 7 CYS 0.796 0.283 21 0 "[ . 1 . 2 . 3]"
2 8 GLY 0.649 0.135 18 0 "[ . 1 . 2 . 3]"
2 9 SER 0.326 0.118 1 0 "[ . 1 . 2 . 3]"
2 10 HIS 7.393 0.344 1 0 "[ . 1 . 2 . 3]"
2 11 LEU 9.849 0.438 1 0 "[ . 1 . 2 . 3]"
2 12 VAL 7.549 0.316 16 0 "[ . 1 . 2 . 3]"
2 13 GLU 3.142 0.173 25 0 "[ . 1 . 2 . 3]"
2 14 ALA 6.638 0.316 20 0 "[ . 1 . 2 . 3]"
2 15 LEU 29.050 0.453 18 0 "[ . 1 . 2 . 3]"
2 16 TYR 5.880 0.323 22 0 "[ . 1 . 2 . 3]"
2 17 LEU 0.222 0.136 25 0 "[ . 1 . 2 . 3]"
2 18 VAL 17.320 0.455 13 0 "[ . 1 . 2 . 3]"
2 19 CYS 6.783 0.350 20 0 "[ . 1 . 2 . 3]"
2 20 GLY 2.517 0.323 1 0 "[ . 1 . 2 . 3]"
2 21 GLU 1.043 0.175 25 0 "[ . 1 . 2 . 3]"
2 22 ARG 0.934 0.204 26 0 "[ . 1 . 2 . 3]"
2 23 GLY 1.693 0.323 1 0 "[ . 1 . 2 . 3]"
2 24 PHE 6.009 0.323 22 0 "[ . 1 . 2 . 3]"
2 25 PHE 3.196 0.351 28 0 "[ . 1 . 2 . 3]"
2 27 THR 2.845 0.351 28 0 "[ . 1 . 2 . 3]"
2 28 PRO 0.264 0.124 27 0 "[ . 1 . 2 . 3]"
2 30 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 GLY QA 1 2 ILE H 2.700 . 2.700 2.275 1.976 2.730 0.030 5 0 "[ . 1 . 2 . 3]" 1
2 2 1 PHE HA 2 2 VAL H 2.730 . 2.730 2.173 2.062 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 10 ILE H 1 10 ILE MG 4.180 . 4.180 3.788 3.716 3.919 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 10 ILE MG 1 11 CYS H 4.590 . 4.590 2.812 2.592 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 12 SER HA 1 13 LEU H 2.730 . 2.730 2.413 2.285 2.575 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 14 TYR H 1 14 TYR HB2 3.750 . 3.750 2.985 2.769 3.140 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 14 TYR H 1 14 TYR HB3 3.750 . 3.750 3.484 3.392 3.605 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 18 ASN H 1 18 ASN HB3 3.520 . 3.520 3.560 3.456 3.665 0.145 18 0 "[ . 1 . 2 . 3]" 1
9 1 18 ASN H 1 18 ASN HB2 3.520 . 3.520 2.308 2.143 2.486 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 20 CYS HA 1 21 ASN H 3.010 . 3.010 2.515 2.246 2.870 . 0 0 "[ . 1 . 2 . 3]" 1
11 2 2 VAL HA 2 3 ASN H 2.510 . 2.510 2.137 2.053 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
12 2 3 ASN HA 2 4 GLN H 2.770 . 2.770 2.185 2.118 2.295 . 0 0 "[ . 1 . 2 . 3]" 1
13 2 4 GLN HA 2 5 HIS H 2.830 . 2.830 2.494 2.340 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
14 2 6 LEU HA 2 7 CYS H 2.910 . 2.910 2.194 2.052 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
15 2 10 HIS H 2 10 HIS HB2 3.530 . 3.530 2.222 2.043 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
16 2 10 HIS H 2 10 HIS HB3 3.530 . 3.530 3.481 3.203 3.653 0.123 20 0 "[ . 1 . 2 . 3]" 1
17 2 16 TYR H 2 16 TYR QB 2.720 . 2.720 2.214 2.094 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
18 2 20 GLY QA 2 21 GLU H 3.160 . 3.160 2.165 2.037 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
19 2 25 PHE H 2 25 PHE QB 3.250 . 3.250 2.424 2.172 2.680 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 8 THR H 1 8 THR HB 4.110 . 4.110 2.530 2.351 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 9 SER HB2 1 10 ILE H 3.960 . 3.960 3.384 2.217 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 9 SER HB3 1 10 ILE H 3.960 . 3.960 3.081 2.155 3.878 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 9 SER HA 1 10 ILE H 3.550 . 3.550 2.614 2.467 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
24 2 1 PHE HA 2 1 PHE QE 4.910 . 4.910 4.643 4.389 4.889 . 0 0 "[ . 1 . 2 . 3]" 1
25 2 1 PHE HA 2 1 PHE QD 3.520 . 3.520 2.944 2.659 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
26 2 19 CYS H 2 19 CYS HB3 3.750 . 3.750 3.570 2.773 3.812 0.062 18 0 "[ . 1 . 2 . 3]" 1
27 2 19 CYS H 2 19 CYS HB2 3.750 . 3.750 2.503 2.163 2.682 . 0 0 "[ . 1 . 2 . 3]" 1
28 2 7 CYS H 2 7 CYS HB2 3.900 . 3.900 2.722 2.405 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
29 2 7 CYS H 2 7 CYS HB3 3.900 . 3.900 3.507 2.847 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
30 2 9 SER H 2 9 SER QB 3.440 . 3.440 2.502 2.169 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
31 2 5 HIS H 2 5 HIS HB2 3.820 . 3.820 2.379 2.280 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
32 2 5 HIS H 2 5 HIS HB3 3.820 . 3.820 3.597 3.548 3.679 . 0 0 "[ . 1 . 2 . 3]" 1
33 2 3 ASN H 2 3 ASN QB 2.810 . 2.810 2.547 2.098 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
34 2 3 ASN QB 2 4 GLN H 3.640 . 3.640 3.272 3.023 3.676 0.036 16 0 "[ . 1 . 2 . 3]" 1
35 1 21 ASN H 1 21 ASN HB3 3.700 . 3.700 2.790 2.463 3.731 0.031 28 0 "[ . 1 . 2 . 3]" 1
36 1 21 ASN H 1 21 ASN HB2 3.700 . 3.700 2.603 2.117 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 20 CYS HB3 1 21 ASN H 3.850 . 3.850 2.711 1.960 3.880 0.030 15 0 "[ . 1 . 2 . 3]" 1
38 1 20 CYS H 1 20 CYS HB3 3.750 . 3.750 3.350 2.309 3.766 0.016 3 0 "[ . 1 . 2 . 3]" 1
39 1 20 CYS H 1 20 CYS HB2 3.750 . 3.750 2.744 2.253 3.844 0.094 12 0 "[ . 1 . 2 . 3]" 1
40 1 7 CYS H 1 7 CYS HB2 3.860 . 3.860 2.515 2.348 2.698 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 7 CYS H 1 7 CYS HB3 3.790 . 3.790 2.546 2.413 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 19 TYR H 1 19 TYR HB2 3.800 . 3.800 2.602 2.459 2.768 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 19 TYR H 1 19 TYR HB3 3.800 . 3.800 3.694 3.630 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
44 2 24 PHE H 2 24 PHE HB2 3.890 . 3.890 3.705 3.442 3.969 0.079 29 0 "[ . 1 . 2 . 3]" 1
45 2 24 PHE H 2 24 PHE HB3 3.890 . 3.890 2.920 2.182 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 6 CYS H 1 6 CYS HB2 4.090 . 4.090 2.260 2.062 2.546 . 0 0 "[ . 1 . 2 . 3]" 1
47 2 6 LEU H 2 6 LEU HG 4.600 . 4.600 3.696 2.800 4.675 0.075 11 0 "[ . 1 . 2 . 3]" 1
48 1 10 ILE H 1 10 ILE HB 3.650 . 3.650 2.456 2.292 2.765 . 0 0 "[ . 1 . 2 . 3]" 1
49 2 14 ALA H 2 14 ALA MB 2.790 . 2.790 2.229 2.113 2.302 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 10 ILE MG 2 4 GLN H 3.890 . 3.890 2.812 2.298 3.418 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 2 ILE H 1 2 ILE MG 3.080 . 3.080 2.404 2.230 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
52 2 15 LEU H 2 15 LEU HB2 3.350 . 3.350 2.454 2.380 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
53 2 15 LEU HA 2 15 LEU HG 4.000 . 4.000 3.069 2.825 3.276 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 10 ILE HB 1 10 ILE MD 3.270 . 3.270 2.874 2.307 3.320 0.050 17 0 "[ . 1 . 2 . 3]" 1
55 1 10 ILE MD 1 10 ILE MG 2.920 . 2.920 2.075 1.982 2.205 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 10 ILE HA 1 10 ILE MG 3.440 . 3.440 2.492 2.346 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 10 ILE HA 1 10 ILE MD 3.880 . 3.880 3.029 2.091 3.969 0.089 27 0 "[ . 1 . 2 . 3]" 1
58 2 15 LEU HA 2 15 LEU MD1 4.000 . 4.000 3.857 3.794 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 3 VAL HA 1 3 VAL MG1 3.430 . 3.430 2.468 2.381 2.577 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 3 VAL HA 1 3 VAL MG2 3.430 . 3.430 2.395 2.307 2.524 . 0 0 "[ . 1 . 2 . 3]" 1
61 2 18 VAL HA 2 18 VAL MG1 3.440 . 3.440 3.227 3.166 3.311 . 0 0 "[ . 1 . 2 . 3]" 1
62 2 18 VAL HA 2 18 VAL MG2 3.440 . 3.440 2.227 2.098 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
63 2 2 VAL HA 2 2 VAL QG 3.050 . 3.050 2.248 2.070 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 13 LEU HA 1 13 LEU MD1 4.020 . 4.020 3.604 2.158 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 13 LEU HA 1 13 LEU MD2 4.020 . 4.020 2.466 2.008 4.082 0.062 13 0 "[ . 1 . 2 . 3]" 1
66 1 13 LEU HA 1 13 LEU HG 4.180 . 4.180 2.976 2.552 3.874 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 GLN HA 1 8 THR MG 2.870 . 2.870 2.200 2.038 2.569 . 0 0 "[ . 1 . 2 . 3]" 1
68 2 27 THR HA 2 27 THR MG 3.050 . 3.050 2.418 2.206 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 15 GLN HA 1 18 ASN HD21 4.300 . 4.300 2.557 2.057 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
70 2 5 HIS HB3 2 5 HIS HD2 3.940 . 3.940 3.862 3.787 3.945 0.005 19 0 "[ . 1 . 2 . 3]" 1
71 2 21 GLU H 2 21 GLU QG 3.920 . 3.920 2.483 2.011 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
72 2 4 GLN H 2 4 GLN HG2 4.190 . 4.190 2.891 2.217 4.221 0.031 17 0 "[ . 1 . 2 . 3]" 1
73 2 4 GLN H 2 4 GLN HG3 4.190 . 4.190 3.277 3.018 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
74 2 4 GLN H 2 4 GLN HB3 4.090 . 4.090 3.494 3.271 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
75 2 4 GLN H 2 4 GLN HB2 4.090 . 4.090 3.668 2.618 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 4 GLU H 1 4 GLU QG 3.850 . 3.850 3.173 1.929 4.024 0.174 26 0 "[ . 1 . 2 . 3]" 1
77 1 16 LEU HB2 2 18 VAL MG2 3.740 . 3.740 3.005 2.696 3.412 . 0 0 "[ . 1 . 2 . 3]" 1
78 2 22 ARG QB 2 22 ARG HE 3.730 . 3.730 2.424 2.028 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
79 2 22 ARG HE 2 22 ARG QG 3.800 . 3.800 2.669 2.062 3.321 . 0 0 "[ . 1 . 2 . 3]" 1
80 2 9 SER HA 2 9 SER QB 2.670 . 2.670 2.314 2.172 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
81 2 27 THR HB 2 28 PRO HD2 3.650 . 3.650 2.193 1.870 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
82 2 27 THR HA 2 28 PRO HD2 3.490 . 3.490 2.885 2.625 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
83 2 27 THR HB 2 28 PRO HD3 3.650 . 3.650 3.430 3.022 3.774 0.124 27 0 "[ . 1 . 2 . 3]" 1
84 2 27 THR HA 2 28 PRO HD3 3.490 . 3.490 2.664 2.148 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
85 2 11 LEU HA 2 11 LEU MD1 3.690 . 3.690 3.286 1.933 3.796 0.106 1 0 "[ . 1 . 2 . 3]" 1
86 2 11 LEU HA 2 11 LEU MD2 3.690 . 3.690 2.852 2.200 3.828 0.138 21 0 "[ . 1 . 2 . 3]" 1
87 1 4 GLU HA 1 4 GLU QG 3.630 . 3.630 2.693 2.187 3.447 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 5 GLN HA 1 5 GLN HG2 4.130 . 4.130 2.802 2.057 3.799 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 5 GLN HA 1 5 GLN HG3 4.130 . 4.130 3.048 2.291 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
90 2 5 HIS HB2 2 6 LEU H 4.860 . 4.860 4.176 3.935 4.579 . 0 0 "[ . 1 . 2 . 3]" 1
91 2 5 HIS HB3 2 6 LEU H 4.860 . 4.860 3.182 2.823 4.007 . 0 0 "[ . 1 . 2 . 3]" 1
92 2 7 CYS HB2 2 8 GLY H 4.720 . 4.720 3.696 2.009 4.442 . 0 0 "[ . 1 . 2 . 3]" 1
93 2 7 CYS HB3 2 8 GLY H 4.720 . 4.720 3.023 1.998 4.512 . 0 0 "[ . 1 . 2 . 3]" 1
94 2 9 SER H 2 10 HIS H 3.660 . 3.660 2.887 2.661 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 7 CYS HA 2 6 LEU H 3.950 . 3.950 2.868 2.335 3.497 . 0 0 "[ . 1 . 2 . 3]" 1
96 2 6 LEU H 2 6 LEU MD1 5.170 . 5.170 3.883 3.149 4.119 . 0 0 "[ . 1 . 2 . 3]" 1
97 2 6 LEU H 2 6 LEU MD2 5.170 . 5.170 3.443 2.465 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 13 LEU H 1 13 LEU MD2 4.250 . 4.250 3.655 2.104 3.979 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 13 LEU H 1 13 LEU MD1 4.250 . 4.250 3.594 3.295 4.300 0.050 13 0 "[ . 1 . 2 . 3]" 1
100 1 13 LEU H 1 13 LEU HG 3.950 . 3.950 2.827 2.182 4.257 0.307 25 0 "[ . 1 . 2 . 3]" 1
101 1 13 LEU H 1 16 LEU MD1 4.860 . 4.860 4.265 3.910 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 12 SER HB3 1 13 LEU H 3.480 . 3.480 2.672 2.254 3.055 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 13 LEU H 1 14 TYR HA 5.640 . 5.640 5.418 5.158 5.554 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 12 SER HB2 1 13 LEU H 3.480 . 3.480 3.238 2.521 3.542 0.062 16 0 "[ . 1 . 2 . 3]" 1
105 1 13 LEU H 1 14 TYR H 3.280 . 3.280 2.841 2.509 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 13 LEU H 1 15 GLN H 4.540 . 4.540 4.297 4.056 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 13 LEU H 2 1 PHE QE 4.790 . 4.790 3.775 2.747 4.703 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 13 LEU H 2 1 PHE QD 5.090 . 5.090 4.515 3.742 5.146 0.056 14 0 "[ . 1 . 2 . 3]" 1
109 1 14 TYR H 1 14 TYR QD 3.810 . 3.810 2.687 2.506 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 SER HA 1 14 TYR H 4.500 . 4.500 4.474 4.254 4.587 0.087 1 0 "[ . 1 . 2 . 3]" 1
111 1 12 SER HB2 1 14 TYR H 3.920 . 3.920 2.931 2.308 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 14 TYR HA 1 14 TYR QD 3.240 . 3.240 2.898 2.503 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 14 TYR HA 1 14 TYR QE 4.880 . 4.880 4.967 4.736 5.106 0.226 29 0 "[ . 1 . 2 . 3]" 1
114 1 13 LEU MD2 1 14 TYR QE 6.100 . 6.100 5.187 2.663 5.881 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 13 LEU MD1 1 14 TYR H 5.230 . 5.230 4.414 3.754 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 13 LEU MD2 1 14 TYR H 5.230 . 5.230 4.577 3.920 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 15 GLN H 1 15 GLN HB3 3.730 . 3.730 3.613 3.561 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 14 TYR HB3 1 15 GLN H 4.080 . 4.080 4.059 3.925 4.175 0.095 29 0 "[ . 1 . 2 . 3]" 1
119 1 14 TYR HB2 1 15 GLN H 4.080 . 4.080 2.742 2.604 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 15 GLN H 1 15 GLN HG2 3.830 . 3.830 3.016 2.223 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 15 GLN H 1 15 GLN HB2 3.500 . 3.500 2.548 2.390 2.685 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 15 GLN H 1 15 GLN HG3 3.830 . 3.830 2.493 1.993 3.693 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 13 LEU HA 1 15 GLN H 5.070 . 5.070 4.437 4.205 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 14 TYR QD 1 15 GLN H 4.460 . 4.460 3.335 2.954 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 14 TYR H 1 15 GLN H 3.790 . 3.790 2.643 2.513 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 15 GLN HA 1 18 ASN HB2 4.460 . 4.460 2.719 2.404 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 15 GLN HA 1 18 ASN HB3 4.460 . 4.460 4.286 3.807 4.562 0.102 16 0 "[ . 1 . 2 . 3]" 1
128 1 15 GLN H 1 16 LEU H 3.190 . 3.190 2.599 2.441 2.802 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 14 TYR H 1 16 LEU H 4.450 . 4.450 4.149 3.901 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 16 LEU H 1 18 ASN H 4.670 . 4.670 4.055 3.934 4.165 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 16 LEU H 1 19 TYR QD 5.550 . 5.550 5.275 4.687 5.503 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 LEU HA 1 16 LEU H 3.850 . 3.850 3.565 3.137 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 15 GLN HB2 1 16 LEU H 3.650 . 3.650 2.565 2.320 2.721 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 15 GLN HB3 1 16 LEU H 4.010 . 4.010 3.691 3.482 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 16 LEU HA 1 16 LEU HG 4.100 . 4.100 3.043 2.937 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 16 LEU H 1 16 LEU HB2 3.300 . 3.300 2.430 2.321 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 16 LEU H 1 16 LEU HG 3.430 . 3.430 2.334 2.150 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 16 LEU H 1 16 LEU HB3 3.770 . 3.770 3.584 3.519 3.672 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 16 LEU HA 1 16 LEU MD2 3.090 . 3.090 2.176 2.034 2.330 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 16 LEU HA 1 16 LEU MD1 4.030 . 4.030 3.898 3.831 3.996 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 16 LEU HB2 2 18 VAL MG1 3.740 . 3.740 2.760 2.401 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 16 LEU HB2 1 16 LEU MD2 3.480 . 3.480 3.227 3.129 3.285 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 16 LEU HB3 1 16 LEU MD1 3.560 . 3.560 2.401 2.292 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 16 LEU HB3 1 16 LEU MD2 3.420 . 3.420 2.369 2.209 2.453 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 16 LEU HB2 2 15 LEU MD2 4.390 . 4.390 3.621 3.455 3.907 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 16 LEU HB3 2 15 LEU MD2 3.820 . 3.820 2.121 1.939 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 16 LEU H 1 16 LEU MD1 3.860 . 3.860 3.482 3.308 3.630 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 16 LEU H 1 16 LEU MD2 3.730 . 3.730 3.542 3.395 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 17 GLU H 1 19 TYR H 4.520 . 4.520 4.149 4.052 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 15 GLN H 1 17 GLU H 4.630 . 4.630 4.081 3.864 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 17 GLU H 1 18 ASN H 3.220 . 3.220 2.700 2.540 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 14 TYR HA 1 17 GLU H 3.930 . 3.930 3.387 3.191 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 15 GLN HA 1 17 GLU H 4.950 . 4.950 4.508 4.282 4.816 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 13 LEU HA 1 17 GLU H 4.310 . 4.310 4.090 3.854 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 17 GLU H 1 17 GLU HG2 3.710 . 3.710 3.248 2.467 3.750 0.040 14 0 "[ . 1 . 2 . 3]" 1
156 1 17 GLU H 1 17 GLU HG3 3.710 . 3.710 2.855 2.210 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 17 GLU H 1 17 GLU HB2 3.640 . 3.640 2.515 2.234 3.645 0.005 9 0 "[ . 1 . 2 . 3]" 1
158 1 17 GLU H 1 17 GLU HB3 3.640 . 3.640 3.449 2.540 3.659 0.019 18 0 "[ . 1 . 2 . 3]" 1
159 1 16 LEU HB2 1 17 GLU H 3.660 . 3.660 2.604 2.408 2.778 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 16 LEU HB3 1 17 GLU H 3.780 . 3.780 3.594 3.443 3.784 0.004 26 0 "[ . 1 . 2 . 3]" 1
161 1 16 LEU HG 1 17 GLU H 4.500 . 4.500 4.439 4.302 4.526 0.026 27 0 "[ . 1 . 2 . 3]" 1
162 1 17 GLU H 2 18 VAL MG2 4.550 . 4.550 3.703 3.019 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 16 LEU MD1 1 17 GLU H 4.600 . 4.600 4.396 4.148 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 16 LEU MD2 1 17 GLU H 5.500 . 5.500 4.799 4.729 4.907 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 17 GLU H 2 18 VAL MG1 4.550 . 4.550 3.673 3.100 4.047 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 17 GLU HB2 1 18 ASN H 4.130 . 4.130 3.100 2.758 4.153 0.023 13 0 "[ . 1 . 2 . 3]" 1
167 1 17 GLU HB3 1 18 ASN H 4.130 . 4.130 3.766 3.574 4.212 0.082 27 0 "[ . 1 . 2 . 3]" 1
168 1 15 GLN HA 1 18 ASN HD22 4.300 . 4.300 3.842 3.092 4.386 0.086 15 0 "[ . 1 . 2 . 3]" 1
169 1 15 GLN HA 1 18 ASN H 3.950 . 3.950 3.398 3.092 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 19 TYR HA 1 19 TYR QD 3.110 . 3.110 2.252 2.104 2.526 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 16 LEU HA 1 19 TYR H 4.130 . 4.130 3.525 3.184 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 17 GLU HA 1 19 TYR H 4.420 . 4.420 3.675 3.344 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 16 LEU HA 1 19 TYR QD 3.060 . 3.060 2.715 2.155 3.022 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 19 TYR HA 1 19 TYR QE 4.910 . 4.910 4.603 4.451 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
175 2 16 TYR HA 2 16 TYR QE 5.000 . 5.000 4.761 4.630 4.971 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 16 LEU HA 1 19 TYR QE 3.660 . 3.660 3.121 2.668 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
177 2 16 TYR QE 2 17 LEU HA 4.730 . 4.730 4.406 4.114 4.866 0.136 25 0 "[ . 1 . 2 . 3]" 1
178 1 19 TYR H 1 19 TYR QD 3.290 . 3.290 3.199 3.020 3.390 0.100 27 0 "[ . 1 . 2 . 3]" 1
179 1 18 ASN H 1 19 TYR H 3.190 . 3.190 2.737 2.586 2.838 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 19 TYR H 1 20 CYS H 3.370 . 3.370 2.346 2.187 2.490 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 19 TYR H 1 19 TYR QE 4.710 . 4.710 4.630 4.462 4.737 0.027 7 0 "[ . 1 . 2 . 3]" 1
182 1 18 ASN HB2 1 19 TYR QE 4.770 . 4.770 4.032 3.598 4.628 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 18 ASN HB3 1 19 TYR QE 4.770 . 4.770 4.410 3.864 4.837 0.067 25 0 "[ . 1 . 2 . 3]" 1
184 1 18 ASN HB2 1 19 TYR QD 4.780 . 4.780 3.774 3.367 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 18 ASN HB3 1 19 TYR QD 4.780 . 4.780 3.691 3.190 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 18 ASN HB2 1 19 TYR H 4.340 . 4.340 3.363 3.126 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 18 ASN HB3 1 19 TYR H 4.340 . 4.340 3.946 3.578 4.111 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 19 TYR QE 2 11 LEU HG 5.820 . 5.820 5.217 4.683 5.986 0.166 21 0 "[ . 1 . 2 . 3]" 1
189 1 2 ILE MD 1 19 TYR QE 3.980 . 3.980 2.824 2.346 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 19 TYR QE 2 15 LEU MD2 4.450 . 4.450 3.663 3.084 4.008 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 19 TYR QD 2 15 LEU MD2 3.340 . 3.340 2.004 1.908 2.125 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 16 LEU MD2 1 19 TYR H 5.420 . 5.420 5.144 4.950 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 19 TYR H 2 15 LEU MD2 4.640 . 4.640 3.862 3.599 4.219 . 0 0 "[ . 1 . 2 . 3]" 1
194 2 27 THR H 2 27 THR MG 3.380 . 3.380 2.658 2.319 3.446 0.066 12 0 "[ . 1 . 2 . 3]" 1
195 1 19 TYR QE 2 15 LEU MD1 4.410 . 4.410 4.360 3.972 4.841 0.431 25 0 "[ . 1 . 2 . 3]" 1
196 1 19 TYR QD 2 15 LEU MD1 4.170 . 4.170 2.709 2.317 3.324 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 19 TYR H 2 15 LEU MD1 5.630 . 5.630 5.204 4.677 5.694 0.064 28 0 "[ . 1 . 2 . 3]" 1
198 1 16 LEU MD2 1 19 TYR QE 3.950 . 3.950 2.345 2.108 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 10 ILE MG 2 4 GLN HA 4.000 . 4.000 3.022 2.618 3.701 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 10 ILE MD 2 4 GLN HA 3.780 . 3.780 2.550 2.123 3.222 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 19 TYR QD 1 20 CYS H 4.520 . 4.520 4.587 4.494 4.748 0.228 26 0 "[ . 1 . 2 . 3]" 1
202 1 18 ASN H 2 15 LEU MD2 6.180 . 6.180 5.320 5.008 5.661 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 20 CYS H 2 15 LEU MD2 6.410 . 6.410 4.331 3.352 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 20 CYS H 1 21 ASN H 4.620 . 4.620 4.489 4.243 4.666 0.046 30 0 "[ . 1 . 2 . 3]" 1
205 1 20 CYS HB2 1 21 ASN H 3.850 . 3.850 3.323 1.889 3.944 0.094 13 0 "[ . 1 . 2 . 3]" 1
206 1 21 ASN H 2 22 ARG QB 4.370 . 4.370 3.786 2.914 4.500 0.130 27 0 "[ . 1 . 2 . 3]" 1
207 1 2 ILE MG 1 3 VAL H 3.190 . 3.190 2.493 2.262 2.808 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 2 ILE MD 1 3 VAL H 4.900 . 4.900 4.889 4.765 5.036 0.136 25 0 "[ . 1 . 2 . 3]" 1
209 2 2 VAL H 2 2 VAL QG 3.500 . 3.500 2.476 2.060 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 2 ILE HB 1 3 VAL H 4.450 . 4.450 4.048 3.964 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 3 VAL H 1 3 VAL HB 3.100 . 3.100 2.497 2.361 2.708 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 3 VAL HB 1 4 GLU H 3.390 . 3.390 2.517 2.340 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 4 GLU H 1 4 GLU QB 3.120 . 3.120 2.285 1.994 2.675 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 1 GLY QA 1 3 VAL H 3.670 . 3.670 3.277 3.002 3.555 . 0 0 "[ . 1 . 2 . 3]" 1
215 2 1 PHE QB 2 2 VAL H 3.940 . 3.940 3.548 3.241 3.811 . 0 0 "[ . 1 . 2 . 3]" 1
216 2 1 PHE QD 2 2 VAL H 4.300 . 4.300 3.202 2.942 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
217 2 1 PHE QE 2 2 VAL H 4.730 . 4.730 4.112 3.819 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 10 ILE MG 2 3 ASN HA 3.930 . 3.930 3.480 2.745 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
219 2 2 VAL QG 2 3 ASN HA 4.680 . 4.680 3.997 3.777 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
220 2 2 VAL HA 2 3 ASN HA 4.550 . 4.550 4.400 4.313 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
221 2 3 ASN QB 2 3 ASN HD22 3.440 . 3.440 3.270 3.200 3.425 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 10 ILE MG 2 3 ASN HD22 4.890 . 4.890 3.801 2.980 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 21 ASN HA 1 21 ASN HD22 5.010 . 5.010 4.128 3.470 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
224 2 2 VAL H 2 3 ASN H 4.540 . 4.540 4.295 4.145 4.502 . 0 0 "[ . 1 . 2 . 3]" 1
225 2 3 ASN H 2 3 ASN HD22 4.630 . 4.630 4.361 4.049 4.634 0.004 27 0 "[ . 1 . 2 . 3]" 1
226 2 1 PHE QD 2 3 ASN H 4.770 . 4.770 3.665 3.304 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
227 2 3 ASN H 2 3 ASN HD21 4.630 . 4.630 4.304 3.372 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
228 2 2 VAL HB 2 3 ASN H 4.310 . 4.310 4.232 4.098 4.337 0.027 3 0 "[ . 1 . 2 . 3]" 1
229 2 2 VAL QG 2 3 ASN H 3.340 . 3.340 2.755 2.445 3.014 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 10 ILE MG 2 3 ASN H 4.910 . 4.910 4.804 4.610 5.020 0.110 30 0 "[ . 1 . 2 . 3]" 1
231 1 10 ILE MD 2 4 GLN H 4.570 . 4.570 4.141 3.268 4.893 0.323 22 0 "[ . 1 . 2 . 3]" 1
232 2 25 PHE H 2 25 PHE QD 4.470 . 4.470 4.294 4.149 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
233 2 24 PHE QD 2 25 PHE H 4.110 . 4.110 3.172 2.829 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
234 2 24 PHE H 2 25 PHE H 4.490 . 4.490 4.466 4.275 4.682 0.192 1 0 "[ . 1 . 2 . 3]" 1
235 1 2 ILE HA 1 6 CYS H 4.520 . 4.520 4.067 3.837 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 4 GLU HA 1 6 CYS H 4.750 . 4.750 4.506 4.209 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
237 2 7 CYS H 2 10 HIS HB2 3.930 . 3.930 2.421 1.975 2.825 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 6 CYS H 1 6 CYS HB3 4.090 . 4.090 2.915 2.501 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
239 2 7 CYS H 2 10 HIS HB3 3.930 . 3.930 3.279 2.411 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 5 GLN HB2 1 6 CYS H 3.960 . 3.960 2.874 2.531 3.771 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 5 GLN HB3 1 6 CYS H 3.960 . 3.960 3.328 2.405 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
242 2 6 LEU HB2 2 7 CYS H 4.450 . 4.450 4.280 4.108 4.449 . 0 0 "[ . 1 . 2 . 3]" 1
243 2 6 LEU HB3 2 7 CYS H 4.450 . 4.450 3.472 3.190 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 6 CYS H 2 11 LEU MD1 4.990 . 4.990 4.225 3.686 5.127 0.137 6 0 "[ . 1 . 2 . 3]" 1
245 1 6 CYS H 2 11 LEU MD2 4.990 . 4.990 4.603 3.891 5.428 0.438 1 0 "[ . 1 . 2 . 3]" 1
246 1 6 CYS H 1 8 THR MG 4.680 . 4.680 4.702 4.510 4.857 0.177 28 0 "[ . 1 . 2 . 3]" 1
247 2 9 SER QB 2 10 HIS H 3.810 . 3.810 3.165 2.913 3.519 . 0 0 "[ . 1 . 2 . 3]" 1
248 2 6 LEU HA 2 10 HIS HE1 5.930 . 5.930 5.803 5.493 6.038 0.108 19 0 "[ . 1 . 2 . 3]" 1
249 2 10 HIS HA 2 10 HIS HE1 6.490 . 6.490 5.310 4.975 5.659 . 0 0 "[ . 1 . 2 . 3]" 1
250 2 9 SER QB 2 10 HIS HD2 4.320 . 4.320 3.739 2.920 4.438 0.118 1 0 "[ . 1 . 2 . 3]" 1
251 2 10 HIS HA 2 10 HIS HD2 3.450 . 3.450 3.093 2.530 3.569 0.119 26 0 "[ . 1 . 2 . 3]" 1
252 2 8 GLY HA2 2 10 HIS H 4.520 . 4.520 4.452 4.203 4.655 0.135 18 0 "[ . 1 . 2 . 3]" 1
253 2 10 HIS H 2 10 HIS HD2 4.090 . 4.090 3.081 2.329 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
254 2 10 HIS H 2 12 VAL H 4.600 . 4.600 4.582 4.412 4.762 0.162 30 0 "[ . 1 . 2 . 3]" 1
255 2 10 HIS H 2 11 LEU H 3.340 . 3.340 2.601 2.388 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
256 2 27 THR MG 2 28 PRO HD3 4.500 . 4.500 4.106 3.326 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
257 2 9 SER HA 2 10 HIS HA 4.850 . 4.850 4.802 4.679 4.904 0.054 19 0 "[ . 1 . 2 . 3]" 1
258 2 11 LEU H 2 11 LEU HB2 3.880 . 3.880 2.128 2.028 2.509 . 0 0 "[ . 1 . 2 . 3]" 1
259 2 11 LEU H 2 11 LEU HB3 4.110 . 4.110 3.227 2.487 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
260 2 11 LEU H 2 11 LEU MD1 5.500 . 5.500 3.568 2.447 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
261 2 11 LEU H 2 11 LEU HG 4.650 . 4.650 3.893 3.464 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
262 2 12 VAL H 2 12 VAL HB 3.700 . 3.700 3.254 2.576 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
263 2 11 LEU HG 2 12 VAL H 5.330 . 5.330 4.819 3.639 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
264 2 12 VAL H 2 15 LEU HB2 5.800 . 5.800 5.229 4.960 5.436 . 0 0 "[ . 1 . 2 . 3]" 1
265 2 11 LEU HB3 2 12 VAL H 4.450 . 4.450 2.683 2.349 3.108 . 0 0 "[ . 1 . 2 . 3]" 1
266 2 11 LEU MD1 2 12 VAL H 4.830 . 4.830 4.409 4.109 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
267 2 11 LEU MD2 2 12 VAL H 4.830 . 4.830 4.314 3.913 4.678 . 0 0 "[ . 1 . 2 . 3]" 1
268 2 11 LEU HB2 2 12 VAL H 3.960 . 3.960 2.977 2.341 3.781 . 0 0 "[ . 1 . 2 . 3]" 1
269 2 9 SER HA 2 12 VAL H 4.090 . 4.090 3.376 3.036 3.746 . 0 0 "[ . 1 . 2 . 3]" 1
270 2 16 TYR QD 2 17 LEU HA 4.300 . 4.300 3.476 3.172 4.072 . 0 0 "[ . 1 . 2 . 3]" 1
271 2 16 TYR HA 2 16 TYR QD 3.280 . 3.280 2.804 2.578 3.065 . 0 0 "[ . 1 . 2 . 3]" 1
272 2 10 HIS HA 2 13 GLU H 3.790 . 3.790 3.570 3.236 3.870 0.080 15 0 "[ . 1 . 2 . 3]" 1
273 2 13 GLU H 2 16 TYR QB 4.950 . 4.950 4.764 4.582 5.064 0.114 15 0 "[ . 1 . 2 . 3]" 1
274 2 13 GLU H 2 13 GLU QG 3.490 . 3.490 2.657 2.278 3.132 . 0 0 "[ . 1 . 2 . 3]" 1
275 2 13 GLU H 2 13 GLU HB2 3.230 . 3.230 2.283 2.123 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
276 2 13 GLU H 2 13 GLU HB3 3.570 . 3.570 3.554 3.407 3.656 0.086 1 0 "[ . 1 . 2 . 3]" 1
277 2 12 VAL HB 2 13 GLU H 4.100 . 4.100 4.026 3.691 4.251 0.151 21 0 "[ . 1 . 2 . 3]" 1
278 2 13 GLU H 2 14 ALA MB 4.460 . 4.460 4.401 4.232 4.569 0.109 17 0 "[ . 1 . 2 . 3]" 1
279 2 13 GLU H 2 14 ALA H 3.240 . 3.240 2.727 2.538 2.891 . 0 0 "[ . 1 . 2 . 3]" 1
280 2 12 VAL H 2 13 GLU H 3.360 . 3.360 2.699 2.511 2.858 . 0 0 "[ . 1 . 2 . 3]" 1
281 2 11 LEU H 2 13 GLU H 4.560 . 4.560 3.972 3.825 4.179 . 0 0 "[ . 1 . 2 . 3]" 1
282 2 10 HIS HA 2 14 ALA H 4.330 . 4.330 3.970 3.677 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
283 2 16 TYR HA 2 20 GLY H 4.180 . 4.180 3.360 2.417 4.334 0.154 23 0 "[ . 1 . 2 . 3]" 1
284 2 12 VAL HA 2 14 ALA H 5.730 . 5.730 4.387 4.223 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
285 2 19 CYS HB2 2 20 GLY H 4.130 . 4.130 3.085 2.321 3.963 . 0 0 "[ . 1 . 2 . 3]" 1
286 2 14 ALA H 2 16 TYR QB 5.470 . 5.470 4.874 4.677 5.145 . 0 0 "[ . 1 . 2 . 3]" 1
287 2 16 TYR QB 2 20 GLY H 5.840 . 5.840 5.035 4.425 5.605 . 0 0 "[ . 1 . 2 . 3]" 1
288 2 19 CYS HB3 2 20 GLY H 4.130 . 4.130 3.733 2.773 4.188 0.058 19 0 "[ . 1 . 2 . 3]" 1
289 2 13 GLU QG 2 14 ALA H 4.320 . 4.320 4.324 4.133 4.493 0.173 25 0 "[ . 1 . 2 . 3]" 1
290 2 13 GLU HB2 2 14 ALA H 3.700 . 3.700 2.715 2.544 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
291 2 13 GLU HB3 2 14 ALA H 3.570 . 3.570 3.380 3.003 3.547 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 16 LEU MD2 2 14 ALA H 5.940 . 5.940 5.025 4.576 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
293 2 14 ALA H 2 15 LEU HB2 5.170 . 5.170 4.854 4.600 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
294 2 12 VAL H 2 14 ALA H 4.860 . 4.860 4.252 4.067 4.435 . 0 0 "[ . 1 . 2 . 3]" 1
295 2 16 TYR QD 2 20 GLY H 5.270 . 5.270 4.867 4.354 5.362 0.092 23 0 "[ . 1 . 2 . 3]" 1
296 2 14 ALA MB 2 15 LEU H 3.120 . 3.120 2.540 2.418 2.687 . 0 0 "[ . 1 . 2 . 3]" 1
297 2 15 LEU H 2 15 LEU HG 3.430 . 3.430 2.349 2.175 2.501 . 0 0 "[ . 1 . 2 . 3]" 1
298 2 15 LEU HA 2 15 LEU MD2 2.970 . 2.970 2.003 1.888 2.120 . 0 0 "[ . 1 . 2 . 3]" 1
299 2 15 LEU H 2 15 LEU HB3 3.750 . 3.750 3.606 3.536 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
300 2 15 LEU H 2 15 LEU MD2 3.720 . 3.720 3.379 3.162 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
301 2 15 LEU H 2 15 LEU MD1 3.880 . 3.880 3.642 3.396 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
302 2 15 LEU HA 2 18 VAL MG1 4.550 . 4.550 2.004 1.894 2.160 . 0 0 "[ . 1 . 2 . 3]" 1
303 2 14 ALA H 2 15 LEU H 3.240 . 3.240 2.673 2.502 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
304 2 15 LEU HB2 2 15 LEU MD1 3.330 . 3.330 2.327 2.227 2.410 . 0 0 "[ . 1 . 2 . 3]" 1
305 2 15 LEU HB2 2 15 LEU MD2 3.540 . 3.540 3.214 3.172 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
306 2 6 LEU MD2 2 14 ALA MB 3.320 . 3.320 2.766 2.312 3.421 0.101 25 0 "[ . 1 . 2 . 3]" 1
307 2 16 TYR QB 2 17 LEU H 3.600 . 3.600 2.589 2.397 2.780 . 0 0 "[ . 1 . 2 . 3]" 1
308 2 15 LEU HB3 2 16 TYR H 3.990 . 3.990 3.702 3.565 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
309 2 15 LEU MD2 2 16 TYR H 4.650 . 4.650 4.699 4.600 4.778 0.128 26 0 "[ . 1 . 2 . 3]" 1
310 2 15 LEU MD1 2 16 TYR H 4.810 . 4.810 4.634 4.448 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
311 2 12 VAL MG1 2 16 TYR H 6.500 . 6.500 5.380 5.115 5.540 . 0 0 "[ . 1 . 2 . 3]" 1
312 2 12 VAL MG2 2 16 TYR H 6.500 . 6.500 4.598 3.923 5.185 . 0 0 "[ . 1 . 2 . 3]" 1
313 2 14 ALA MB 2 16 TYR H 5.110 . 5.110 4.540 4.403 4.686 . 0 0 "[ . 1 . 2 . 3]" 1
314 2 15 LEU HG 2 16 TYR H 5.510 . 5.510 4.446 4.258 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
315 2 15 LEU HB2 2 16 TYR H 3.710 . 3.710 2.739 2.592 2.892 . 0 0 "[ . 1 . 2 . 3]" 1
316 2 16 TYR QE 2 17 LEU HG 4.750 . 4.750 4.400 3.791 4.781 0.031 6 0 "[ . 1 . 2 . 3]" 1
317 2 16 TYR H 2 16 TYR QD 4.400 . 4.400 4.172 4.053 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
318 2 16 TYR H 2 24 PHE QE 4.060 . 4.060 3.352 2.499 4.068 0.008 22 0 "[ . 1 . 2 . 3]" 1
319 2 16 TYR H 2 17 LEU H 3.430 . 3.430 2.680 2.578 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
320 2 14 ALA H 2 16 TYR H 4.430 . 4.430 4.131 3.973 4.321 . 0 0 "[ . 1 . 2 . 3]" 1
321 2 15 LEU H 2 16 TYR H 3.230 . 3.230 2.657 2.473 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
322 2 17 LEU H 2 17 LEU HB3 3.680 . 3.680 3.586 3.501 3.651 . 0 0 "[ . 1 . 2 . 3]" 1
323 2 17 LEU H 2 17 LEU HG 3.910 . 3.910 2.518 2.373 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
324 2 17 LEU H 2 17 LEU HB2 3.900 . 3.900 2.373 2.218 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
325 2 17 LEU H 2 17 LEU MD1 5.100 . 5.100 3.534 3.375 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
326 2 17 LEU H 2 17 LEU MD2 5.100 . 5.100 3.702 3.574 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
327 2 17 LEU HB2 2 17 LEU MD1 3.550 . 3.550 2.259 2.155 2.334 . 0 0 "[ . 1 . 2 . 3]" 1
328 2 17 LEU HB2 2 17 LEU MD2 3.550 . 3.550 3.228 3.164 3.273 . 0 0 "[ . 1 . 2 . 3]" 1
329 2 17 LEU HB2 2 18 VAL H 3.770 . 3.770 2.728 2.558 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
330 2 17 LEU HB3 2 18 VAL H 3.750 . 3.750 3.595 3.391 3.775 0.025 24 0 "[ . 1 . 2 . 3]" 1
331 2 16 TYR HA 2 18 VAL H 5.020 . 5.020 4.597 4.347 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
332 2 18 VAL H 2 18 VAL HB 3.060 . 3.060 2.433 2.264 2.599 . 0 0 "[ . 1 . 2 . 3]" 1
333 2 17 LEU HG 2 18 VAL H 4.890 . 4.890 4.616 4.507 4.839 . 0 0 "[ . 1 . 2 . 3]" 1
334 2 18 VAL H 2 18 VAL MG1 3.890 . 3.890 2.480 2.215 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
335 2 18 VAL H 2 18 VAL MG2 3.890 . 3.890 3.766 3.605 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
336 2 21 GLU H 2 22 ARG H 3.510 . 3.510 2.722 1.725 3.354 . 0 0 "[ . 1 . 2 . 3]" 1
337 2 17 LEU H 2 18 VAL H 3.580 . 3.580 2.718 2.552 2.836 . 0 0 "[ . 1 . 2 . 3]" 1
338 2 20 GLY H 2 21 GLU H 4.540 . 4.540 4.232 2.429 4.663 0.123 1 0 "[ . 1 . 2 . 3]" 1
339 2 16 TYR H 2 18 VAL H 4.590 . 4.590 4.177 4.033 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
340 2 19 CYS H 2 20 GLY QA 4.290 . 4.290 4.104 3.812 4.539 0.249 30 0 "[ . 1 . 2 . 3]" 1
341 2 18 VAL HB 2 19 CYS H 4.060 . 4.060 3.987 3.863 4.098 0.038 15 0 "[ . 1 . 2 . 3]" 1
342 2 15 LEU MD2 2 19 CYS H 5.370 . 5.370 4.750 4.293 5.113 . 0 0 "[ . 1 . 2 . 3]" 1
343 2 18 VAL MG1 2 19 CYS H 4.130 . 4.130 2.386 2.193 2.550 . 0 0 "[ . 1 . 2 . 3]" 1
344 2 18 VAL MG2 2 19 CYS H 4.130 . 4.130 4.134 3.938 4.273 0.143 20 0 "[ . 1 . 2 . 3]" 1
345 2 17 LEU H 2 19 CYS H 4.780 . 4.780 4.271 4.143 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
346 2 19 CYS H 2 20 GLY H 3.130 . 3.130 2.209 1.850 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
347 2 18 VAL H 2 19 CYS H 3.160 . 3.160 2.576 2.397 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
348 2 4 GLN H 2 5 HIS H 4.500 . 4.500 4.409 4.286 4.577 0.077 22 0 "[ . 1 . 2 . 3]" 1
349 2 5 HIS H 2 5 HIS HD2 3.520 . 3.520 3.010 2.488 3.223 . 0 0 "[ . 1 . 2 . 3]" 1
350 2 24 PHE H 2 24 PHE QE 4.600 . 4.600 4.092 3.709 4.516 . 0 0 "[ . 1 . 2 . 3]" 1
351 2 24 PHE H 2 24 PHE QD 3.420 . 3.420 2.401 1.702 3.398 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 4 GLU HA 1 7 CYS H 4.680 . 4.680 3.331 2.997 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
353 2 22 ARG H 2 22 ARG QG 3.480 . 3.480 2.587 2.122 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
354 2 21 GLU HB2 2 22 ARG H 4.220 . 4.220 3.352 2.772 4.272 0.052 8 0 "[ . 1 . 2 . 3]" 1
355 2 21 GLU HB3 2 22 ARG H 4.220 . 4.220 4.021 3.336 4.236 0.016 28 0 "[ . 1 . 2 . 3]" 1
356 2 22 ARG H 2 22 ARG QB 3.160 . 3.160 2.436 2.096 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
357 2 22 ARG H 2 23 GLY H 3.240 . 3.240 2.656 2.380 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
358 2 19 CYS HB2 2 23 GLY H 4.920 . 4.920 3.941 2.763 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
359 2 22 ARG QB 2 23 GLY H 4.000 . 4.000 3.365 2.696 4.097 0.097 26 0 "[ . 1 . 2 . 3]" 1
360 2 22 ARG QG 2 23 GLY H 4.840 . 4.840 4.370 3.539 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
361 2 20 GLY H 2 23 GLY H 4.790 . 4.790 4.742 4.183 5.113 0.323 1 0 "[ . 1 . 2 . 3]" 1
362 2 23 GLY H 2 24 PHE H 5.390 . 5.390 4.465 3.777 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
363 2 12 VAL HA 2 24 PHE QD 4.500 . 4.500 4.287 3.835 4.632 0.132 16 0 "[ . 1 . 2 . 3]" 1
364 2 12 VAL HB 2 24 PHE QE 4.570 . 4.570 3.222 2.503 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
365 2 16 TYR QB 2 24 PHE QE 3.790 . 3.790 3.172 2.340 4.113 0.323 22 0 "[ . 1 . 2 . 3]" 1
366 2 15 LEU MD2 2 24 PHE QD 4.790 . 4.790 4.045 3.735 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
367 2 15 LEU MD2 2 24 PHE QE 5.380 . 5.380 5.110 4.836 5.414 0.034 28 0 "[ . 1 . 2 . 3]" 1
368 2 15 LEU MD1 2 24 PHE QE 3.830 . 3.830 3.539 2.992 4.060 0.230 6 0 "[ . 1 . 2 . 3]" 1
369 2 15 LEU MD1 2 24 PHE QD 3.610 . 3.610 2.873 2.531 3.118 . 0 0 "[ . 1 . 2 . 3]" 1
370 2 15 LEU HB2 2 24 PHE QE 4.010 . 4.010 2.874 2.534 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
371 2 15 LEU HB2 2 24 PHE QD 4.120 . 4.120 2.796 2.312 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
372 2 15 LEU HB3 2 24 PHE QE 4.110 . 4.110 3.666 3.093 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
373 2 15 LEU HB3 2 24 PHE QD 4.160 . 4.160 2.328 2.031 2.947 . 0 0 "[ . 1 . 2 . 3]" 1
374 2 12 VAL HA 2 24 PHE QE 4.080 . 4.080 3.157 2.267 3.827 . 0 0 "[ . 1 . 2 . 3]" 1
375 2 23 GLY HA3 2 24 PHE QD 4.630 . 4.630 3.858 2.817 4.665 0.035 28 0 "[ . 1 . 2 . 3]" 1
376 2 23 GLY HA3 2 24 PHE H 3.210 . 3.210 2.393 2.065 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
377 2 23 GLY HA2 2 24 PHE H 3.210 . 3.210 2.659 2.213 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
378 2 23 GLY HA2 2 24 PHE QD 4.630 . 4.630 3.523 2.940 4.650 0.020 6 0 "[ . 1 . 2 . 3]" 1
379 2 16 TYR HA 2 24 PHE QD 4.230 . 4.230 4.112 3.671 4.457 0.227 18 0 "[ . 1 . 2 . 3]" 1
380 2 24 PHE HA 2 24 PHE QD 3.750 . 3.750 3.756 3.688 3.819 0.069 17 0 "[ . 1 . 2 . 3]" 1
381 2 24 PHE QD 2 25 PHE HA 4.470 . 4.470 3.973 3.429 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
382 2 24 PHE HA 2 24 PHE QE 5.790 . 5.790 5.679 5.601 5.753 . 0 0 "[ . 1 . 2 . 3]" 1
383 2 25 PHE QE 2 27 THR MG 3.900 . 3.900 2.796 2.122 4.251 0.351 28 0 "[ . 1 . 2 . 3]" 1
384 2 25 PHE QD 2 27 THR MG 4.430 . 4.430 3.498 2.485 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 13 LEU MD1 2 1 PHE QD 4.320 . 4.320 3.168 2.559 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 13 LEU MD2 2 1 PHE QD 4.320 . 4.320 2.795 2.058 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 16 LEU MD1 2 1 PHE HZ 4.370 . 4.370 2.231 2.056 2.471 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 13 LEU MD1 2 1 PHE HZ 5.820 . 5.820 5.274 3.576 5.882 0.062 21 0 "[ . 1 . 2 . 3]" 1
389 1 16 LEU MD2 2 1 PHE HZ 5.240 . 5.240 4.325 4.003 4.558 . 0 0 "[ . 1 . 2 . 3]" 1
390 2 1 PHE QE 2 18 VAL MG2 5.010 . 5.010 4.110 3.463 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 16 LEU MD1 2 1 PHE QE 3.950 . 3.950 2.797 2.153 3.129 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 13 LEU MD1 2 1 PHE QE 4.570 . 4.570 4.140 3.111 4.725 0.155 24 0 "[ . 1 . 2 . 3]" 1
393 1 16 LEU MD2 1 19 TYR QD 4.290 . 4.290 2.828 2.461 3.198 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 16 LEU MD1 2 1 PHE QD 4.820 . 4.820 4.393 4.091 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
395 2 1 PHE QD 2 2 VAL QG 5.130 . 5.130 4.290 4.053 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
396 2 24 PHE HB3 2 25 PHE H 3.930 . 3.930 3.774 3.618 4.014 0.084 1 0 "[ . 1 . 2 . 3]" 1
397 2 24 PHE HB2 2 25 PHE H 3.930 . 3.930 2.382 2.154 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
398 2 24 PHE HA 2 25 PHE H 3.160 . 3.160 2.472 2.341 2.631 . 0 0 "[ . 1 . 2 . 3]" 1
399 2 25 PHE HA 2 25 PHE QE 4.790 . 4.790 4.629 4.505 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
400 2 25 PHE HA 2 25 PHE QD 3.460 . 3.460 2.835 2.281 3.121 . 0 0 "[ . 1 . 2 . 3]" 1
401 2 1 PHE QE 2 3 ASN HA 4.050 . 4.050 2.380 2.007 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
402 2 1 PHE QD 2 3 ASN HA 4.190 . 4.190 3.745 3.252 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
403 2 1 PHE HZ 2 3 ASN HA 5.230 . 5.230 4.098 3.266 4.736 . 0 0 "[ . 1 . 2 . 3]" 1
404 1 12 SER HA 2 1 PHE QE 4.510 . 4.510 3.555 2.642 4.623 0.113 14 0 "[ . 1 . 2 . 3]" 1
405 2 25 PHE QD 2 27 THR HA 4.560 . 4.560 4.188 3.660 4.609 0.049 27 0 "[ . 1 . 2 . 3]" 1
406 2 25 PHE QE 2 27 THR HA 4.840 . 4.840 3.084 2.333 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
407 2 27 THR H 2 27 THR HB 3.970 . 3.970 3.794 3.522 4.171 0.201 12 0 "[ . 1 . 2 . 3]" 1
408 2 25 PHE QD 2 27 THR H 4.660 . 4.660 3.939 2.978 4.929 0.269 19 0 "[ . 1 . 2 . 3]" 1
409 2 12 VAL HA 2 13 GLU HA 4.800 . 4.800 4.763 4.655 4.829 0.029 29 0 "[ . 1 . 2 . 3]" 1
410 2 13 GLU HA 2 16 TYR QB 3.150 . 3.150 2.545 2.307 2.847 . 0 0 "[ . 1 . 2 . 3]" 1
411 2 13 GLU HA 2 13 GLU QG 3.500 . 3.500 2.438 2.243 2.756 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 17 GLU HA 2 18 VAL MG1 4.120 . 4.120 2.952 2.372 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
413 2 15 LEU H 2 16 TYR QB 4.910 . 4.910 4.381 4.165 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
414 2 30 THR H 2 30 THR MG 4.520 . 4.520 3.590 2.746 4.116 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 5 GLN H 1 6 CYS H 3.650 . 3.650 2.714 2.540 2.867 . 0 0 "[ . 1 . 2 . 3]" 1
416 1 6 CYS H 1 7 CYS H 3.850 . 3.850 2.565 2.381 2.669 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 7 CYS H 1 8 THR H 3.580 . 3.580 2.578 2.407 2.719 . 0 0 "[ . 1 . 2 . 3]" 1
418 2 7 CYS H 2 10 HIS H 4.710 . 4.710 3.931 3.481 4.294 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 12 SER H 1 15 GLN H 4.440 . 4.440 3.718 3.325 4.147 . 0 0 "[ . 1 . 2 . 3]" 1
420 2 7 CYS H 2 10 HIS HD2 5.390 . 5.390 5.098 3.869 5.520 0.130 28 0 "[ . 1 . 2 . 3]" 1
421 2 16 TYR HA 2 19 CYS H 4.250 . 4.250 3.883 3.637 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 6 CYS H 1 7 CYS HA 5.540 . 5.540 5.214 5.045 5.321 . 0 0 "[ . 1 . 2 . 3]" 1
423 1 7 CYS HA 2 7 CYS H 5.820 . 5.820 4.509 4.205 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
424 2 13 GLU HA 2 16 TYR H 3.520 . 3.520 3.405 3.173 3.563 0.043 22 0 "[ . 1 . 2 . 3]" 1
425 2 8 GLY HA3 2 10 HIS H 4.520 . 4.520 3.596 3.259 4.465 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 6 CYS H 1 7 CYS HB2 5.020 . 5.020 4.760 4.410 4.968 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 7 CYS HB3 1 8 THR H 4.370 . 4.370 2.454 2.328 2.737 . 0 0 "[ . 1 . 2 . 3]" 1
428 2 12 VAL HA 2 16 TYR H 4.210 . 4.210 3.907 3.698 4.080 . 0 0 "[ . 1 . 2 . 3]" 1
429 2 12 VAL HA 2 15 LEU H 3.830 . 3.830 3.324 3.027 3.572 . 0 0 "[ . 1 . 2 . 3]" 1
430 2 21 GLU QG 2 22 ARG H 4.690 . 4.690 4.094 2.566 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
431 2 4 GLN HB2 2 5 HIS H 4.110 . 4.110 2.594 2.096 3.557 . 0 0 "[ . 1 . 2 . 3]" 1
432 2 4 GLN HB3 2 5 HIS H 4.110 . 4.110 3.391 2.061 4.014 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 10 ILE H 1 10 ILE HG12 4.870 . 4.870 3.332 2.476 4.168 . 0 0 "[ . 1 . 2 . 3]" 1
434 2 1 PHE QE 2 18 VAL MG1 5.010 . 5.010 4.856 4.296 5.232 0.222 25 0 "[ . 1 . 2 . 3]" 1
435 1 10 ILE H 1 10 ILE MD 4.190 . 4.190 3.970 3.781 4.279 0.089 14 0 "[ . 1 . 2 . 3]" 1
436 1 10 ILE MG 2 5 HIS H 4.730 . 4.730 4.270 3.840 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
437 1 10 ILE MG 2 5 HIS HE1 5.470 . 5.470 5.554 5.339 5.798 0.328 29 0 "[ . 1 . 2 . 3]" 1
438 1 10 ILE MD 2 5 HIS H 4.180 . 4.180 3.301 2.620 4.214 0.034 21 0 "[ . 1 . 2 . 3]" 1
439 1 10 ILE MD 2 5 HIS HE1 3.980 . 3.980 3.882 3.619 4.223 0.243 28 0 "[ . 1 . 2 . 3]" 1
440 1 2 ILE H 1 2 ILE MD 4.290 . 4.290 3.962 3.794 4.100 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 5 GLN H 1 8 THR MG 5.280 . 5.280 4.333 4.172 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 7 CYS H 1 8 THR MG 5.500 . 5.500 4.023 3.793 4.236 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 8 THR H 1 8 THR MG 4.130 . 4.130 2.231 2.076 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
444 1 16 LEU MD2 2 15 LEU MD1 3.740 . 3.740 3.632 3.356 4.081 0.341 27 0 "[ . 1 . 2 . 3]" 1
445 2 15 LEU MD2 2 18 VAL MG1 4.430 . 4.430 2.497 2.284 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 10 ILE MD 2 4 GLN HB3 5.380 . 5.380 4.533 3.920 5.304 . 0 0 "[ . 1 . 2 . 3]" 1
447 1 10 ILE MD 2 3 ASN QB 4.130 . 4.130 3.822 2.408 4.218 0.088 3 0 "[ . 1 . 2 . 3]" 1
448 2 13 GLU HB2 2 14 ALA MB 4.750 . 4.750 4.149 3.955 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
449 2 13 GLU HB3 2 14 ALA MB 4.850 . 4.850 4.488 4.118 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
450 2 14 ALA MB 2 18 VAL HB 5.200 . 5.200 4.147 3.896 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
451 2 6 LEU HB2 2 11 LEU MD1 5.700 . 5.700 3.322 2.275 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
452 2 6 LEU HB2 2 11 LEU MD2 5.700 . 5.700 3.573 2.320 4.045 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 16 LEU HG 2 15 LEU MD2 4.090 . 4.090 4.166 4.034 4.321 0.231 26 0 "[ . 1 . 2 . 3]" 1
454 2 6 LEU MD1 2 14 ALA MB 3.320 . 3.320 2.283 1.988 3.137 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 16 LEU MD1 2 14 ALA MB 3.330 . 3.330 2.230 2.028 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 16 LEU MD2 2 14 ALA MB 3.280 . 3.280 2.683 2.307 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 16 LEU HB2 2 14 ALA MB 5.090 . 5.090 4.827 4.612 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
458 2 3 ASN HA 2 4 GLN HA 4.560 . 4.560 4.480 4.413 4.568 0.008 27 0 "[ . 1 . 2 . 3]" 1
459 2 2 VAL HA 2 3 ASN QB 4.610 . 4.610 4.391 4.020 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 3 VAL MG2 1 4 GLU HA 5.460 . 5.460 5.413 5.318 5.557 0.097 1 0 "[ . 1 . 2 . 3]" 1
461 2 1 PHE HA 2 2 VAL QG 4.220 . 4.220 3.476 3.201 3.618 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 9 SER HA 1 10 ILE MD 5.090 . 5.090 4.871 4.540 5.218 0.128 28 0 "[ . 1 . 2 . 3]" 1
463 2 18 VAL MG2 2 19 CYS HA 4.550 . 4.550 4.287 4.031 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
464 2 18 VAL MG1 2 19 CYS HA 4.550 . 4.550 3.491 3.144 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 4 GLU HA 1 8 THR MG 4.520 . 4.520 4.568 4.206 4.843 0.323 27 0 "[ . 1 . 2 . 3]" 1
466 1 3 VAL MG1 1 4 GLU HA 5.460 . 5.460 3.336 2.977 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 16 LEU HA 2 15 LEU MD2 3.780 . 3.780 2.646 2.383 2.894 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 17 GLU HA 2 18 VAL MG2 4.120 . 4.120 3.888 3.370 4.210 0.090 14 0 "[ . 1 . 2 . 3]" 1
469 1 2 ILE HA 1 2 ILE MD 4.240 . 4.240 2.109 2.000 2.220 . 0 0 "[ . 1 . 2 . 3]" 1
470 2 17 LEU HA 2 17 LEU HG 4.040 . 4.040 2.957 2.786 3.102 . 0 0 "[ . 1 . 2 . 3]" 1
471 2 14 ALA HA 2 17 LEU HB2 3.660 . 3.660 2.800 2.548 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
472 2 11 LEU HA 2 14 ALA MB 3.540 . 3.540 2.851 2.590 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
473 2 11 LEU HA 2 11 LEU HG 4.020 . 4.020 2.560 2.142 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 13 LEU HA 1 16 LEU HB2 4.130 . 4.130 2.862 2.394 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
475 2 12 VAL HA 2 15 LEU HB2 4.040 . 4.040 2.633 2.284 2.991 . 0 0 "[ . 1 . 2 . 3]" 1
476 2 12 VAL HA 2 15 LEU HG 6.050 . 6.050 3.557 2.919 4.160 . 0 0 "[ . 1 . 2 . 3]" 1
477 2 6 LEU HB3 2 11 LEU HA 4.290 . 4.290 2.537 2.123 3.000 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 19 TYR HB2 2 15 LEU MD1 4.520 . 4.520 3.092 2.555 3.748 . 0 0 "[ . 1 . 2 . 3]" 1
479 2 12 VAL HA 2 15 LEU MD1 4.120 . 4.120 2.750 2.249 3.131 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 13 LEU MD1 2 1 PHE QB 4.130 . 4.130 2.619 2.151 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 13 LEU MD2 2 1 PHE QB 4.130 . 4.130 2.685 2.411 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 10 ILE MG 2 3 ASN QB 3.210 . 3.210 2.181 2.004 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 17 GLU HG2 2 18 VAL MG1 4.600 . 4.600 3.151 2.335 4.614 0.014 13 0 "[ . 1 . 2 . 3]" 1
484 1 17 GLU HG2 2 18 VAL MG2 4.600 . 4.600 2.657 2.164 3.553 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 4 GLU QG 1 8 THR MG 4.370 . 4.370 3.906 3.151 4.560 0.190 1 0 "[ . 1 . 2 . 3]" 1
486 1 17 GLU HG3 2 18 VAL MG1 4.600 . 4.600 3.838 2.711 4.689 0.089 15 0 "[ . 1 . 2 . 3]" 1
487 1 17 GLU HG3 2 18 VAL MG2 4.600 . 4.600 2.975 2.178 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 15 GLN HB2 1 16 LEU MD2 4.020 . 4.020 4.159 3.942 4.420 0.400 14 0 "[ . 1 . 2 . 3]" 1
489 1 19 TYR HB3 2 15 LEU MD1 4.520 . 4.520 3.336 2.749 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
490 2 15 LEU MD2 2 18 VAL HB 4.120 . 4.120 4.312 4.025 4.573 0.453 18 0 "[ . 1 . 2 . 3]" 1
491 1 7 CYS HA 2 5 HIS HA 4.470 . 4.470 4.000 3.561 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 12 SER HA 1 13 LEU HA 4.670 . 4.670 4.329 4.233 4.446 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 8 THR MG 1 9 SER HA 4.780 . 4.780 3.793 3.621 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
494 2 10 HIS HA 2 14 ALA MB 4.750 . 4.750 4.551 4.326 4.782 0.032 26 0 "[ . 1 . 2 . 3]" 1
495 1 13 LEU HA 1 16 LEU MD1 3.690 . 3.690 2.443 2.173 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
496 2 12 VAL MG1 2 16 TYR QB 5.280 . 5.280 5.186 4.518 5.530 0.250 28 0 "[ . 1 . 2 . 3]" 1
497 2 16 TYR QB 2 17 LEU MD1 5.930 . 5.930 4.651 4.415 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
498 2 12 VAL MG2 2 16 TYR QB 5.280 . 5.280 4.014 3.146 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
499 2 16 TYR QB 2 17 LEU MD2 5.930 . 5.930 4.383 4.076 4.885 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 16 LEU HB2 1 16 LEU MD1 3.400 . 3.400 2.232 2.083 2.320 . 0 0 "[ . 1 . 2 . 3]" 1
501 2 11 LEU HB3 2 11 LEU MD1 3.410 . 3.410 2.689 2.310 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
502 2 11 LEU HB3 2 11 LEU MD2 3.410 . 3.410 2.365 2.034 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 6 CYS HA 2 11 LEU MD1 5.600 . 5.600 4.922 4.589 5.446 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 6 CYS HA 2 11 LEU MD2 5.600 . 5.600 5.073 4.472 5.496 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 13 LEU HA 1 16 LEU HG 4.700 . 4.700 3.749 3.360 4.180 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 13 LEU HA 1 16 LEU HB3 4.820 . 4.820 4.478 4.022 4.787 . 0 0 "[ . 1 . 2 . 3]" 1
507 2 22 ARG QB 2 22 ARG QD 3.420 . 3.420 2.486 2.007 2.951 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 4 GLU QB 1 8 THR MG 4.690 . 4.690 4.101 3.408 4.544 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 10 ILE MD 2 4 GLN HB2 5.380 . 5.380 4.571 3.823 5.692 0.312 22 0 "[ . 1 . 2 . 3]" 1
510 1 7 CYS HB3 1 8 THR MG 4.460 . 4.460 4.213 4.037 4.428 . 0 0 "[ . 1 . 2 . 3]" 1
511 2 27 THR MG 2 28 PRO HD2 4.500 . 4.500 3.521 3.051 4.107 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 16 LEU MD2 2 14 ALA HA 5.370 . 5.370 5.108 4.745 5.412 0.042 22 0 "[ . 1 . 2 . 3]" 1
513 1 1 GLY QA 1 2 ILE MG 3.940 . 3.940 3.948 3.631 4.249 0.309 28 0 "[ . 1 . 2 . 3]" 1
514 2 2 VAL QG 2 4 GLN HA 4.480 . 4.480 4.163 3.896 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 13 LEU MD2 2 1 PHE QE 4.570 . 4.570 3.199 2.627 4.601 0.031 6 0 "[ . 1 . 2 . 3]" 1
516 1 10 ILE HG12 2 5 HIS HD2 5.180 . 5.180 4.208 3.648 4.626 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 10 ILE MD 2 5 HIS HD2 3.720 . 3.720 3.144 2.552 4.158 0.438 26 0 "[ . 1 . 2 . 3]" 1
518 1 10 ILE MG 2 5 HIS HD2 5.680 . 5.680 5.443 5.038 5.913 0.233 26 0 "[ . 1 . 2 . 3]" 1
519 2 10 HIS H 2 11 LEU HB2 4.680 . 4.680 4.488 4.257 4.750 0.070 21 0 "[ . 1 . 2 . 3]" 1
520 2 5 HIS HB2 2 5 HIS HD2 3.940 . 3.940 2.806 2.711 2.898 . 0 0 "[ . 1 . 2 . 3]" 1
521 2 1 PHE QE 2 3 ASN QB 4.780 . 4.780 3.533 2.209 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
522 2 1 PHE QD 2 3 ASN QB 5.160 . 5.160 4.081 3.102 4.911 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 13 LEU HA 2 1 PHE QE 5.160 . 5.160 3.963 3.109 4.342 . 0 0 "[ . 1 . 2 . 3]" 1
524 2 1 PHE QE 2 18 VAL HA 5.540 . 5.540 5.517 5.061 5.731 0.191 20 0 "[ . 1 . 2 . 3]" 1
525 2 4 GLN HA 2 5 HIS HD2 4.850 . 4.850 4.486 4.025 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
526 2 5 HIS HA 2 5 HIS HD2 5.170 . 5.170 4.442 4.193 4.650 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 12 SER HB3 1 14 TYR H 3.920 . 3.920 3.508 2.887 3.975 0.055 18 0 "[ . 1 . 2 . 3]" 1
528 1 5 GLN HA 1 9 SER H 5.420 . 5.420 3.816 3.506 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
529 2 20 GLY QA 2 22 ARG H 4.160 . 4.160 3.598 3.318 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
530 1 2 ILE H 1 3 VAL H 3.490 . 3.490 2.702 2.537 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 10 ILE H 2 5 HIS HE1 4.380 . 4.380 3.914 3.603 4.434 0.054 26 0 "[ . 1 . 2 . 3]" 1
532 1 4 GLU H 1 5 GLN H 4.400 . 4.400 2.676 2.437 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
533 2 18 VAL H 2 19 CYS HA 5.700 . 5.700 5.255 5.100 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
534 2 19 CYS HA 2 21 GLU H 6.230 . 6.230 5.644 4.747 6.233 0.003 1 0 "[ . 1 . 2 . 3]" 1
535 1 9 SER HA 2 5 HIS HE1 3.050 . 3.050 2.403 2.080 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 7 CYS H 1 8 THR HB 5.100 . 5.100 4.957 4.709 5.102 0.002 12 0 "[ . 1 . 2 . 3]" 1
537 1 8 THR HA 2 5 HIS HE1 4.920 . 4.920 4.184 3.911 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 9 SER HB2 2 5 HIS HE1 5.110 . 5.110 4.893 4.586 5.212 0.102 27 0 "[ . 1 . 2 . 3]" 1
539 1 7 CYS HB2 1 8 THR H 4.700 . 4.700 3.760 3.569 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 3 VAL HA 1 5 GLN H 5.210 . 5.210 4.369 4.106 4.588 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 3 VAL HA 1 7 CYS H 5.530 . 5.530 4.291 4.112 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 5 GLN HA 1 7 CYS H 4.130 . 4.130 4.047 3.755 4.150 0.020 10 0 "[ . 1 . 2 . 3]" 1
543 2 19 CYS HB3 2 21 GLU H 6.500 . 6.500 5.364 3.877 6.220 . 0 0 "[ . 1 . 2 . 3]" 1
544 2 16 TYR QB 2 18 VAL H 5.310 . 5.310 4.849 4.707 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 12 SER H 1 15 GLN HB2 4.220 . 4.220 2.525 1.946 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
546 1 12 SER H 1 15 GLN HB3 4.410 . 4.410 3.904 3.376 4.450 0.040 25 0 "[ . 1 . 2 . 3]" 1
547 1 8 THR MG 2 5 HIS HE1 5.280 . 5.280 5.007 4.808 5.255 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 2 ILE H 1 2 ILE HB 4.210 . 4.210 2.388 2.252 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
549 2 12 VAL MG1 2 15 LEU H 6.470 . 6.470 5.106 4.811 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
550 2 12 VAL MG2 2 15 LEU H 6.470 . 6.470 4.992 4.645 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 3 VAL HA 1 6 CYS H 4.910 . 4.910 3.497 3.348 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
552 1 9 SER HB3 2 5 HIS HE1 5.110 . 5.110 5.025 4.638 5.292 0.182 23 0 "[ . 1 . 2 . 3]" 1
553 1 6 CYS H 1 8 THR H 4.680 . 4.680 4.429 4.194 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
554 2 22 ARG HA 2 22 ARG HE 4.830 . 4.830 3.749 2.216 4.776 . 0 0 "[ . 1 . 2 . 3]" 1
555 2 12 VAL HB 2 24 PHE QD 5.670 . 5.670 4.967 3.883 5.686 0.016 25 0 "[ . 1 . 2 . 3]" 1
556 1 6 CYS HB2 2 11 LEU MD2 4.290 . 4.290 3.122 2.263 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 6 CYS HB2 2 11 LEU MD1 4.290 . 4.290 3.104 2.021 3.830 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 6 CYS HB3 2 11 LEU MD2 4.290 . 4.290 3.041 1.967 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 6 CYS HB3 2 11 LEU MD1 4.290 . 4.290 2.571 1.878 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 16 LEU MD1 2 11 LEU HA 5.390 . 5.390 5.101 4.751 5.496 0.106 24 0 "[ . 1 . 2 . 3]" 1
561 2 11 LEU H 2 11 LEU MD2 5.500 . 5.500 4.189 2.682 4.480 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 7 CYS HB2 1 8 THR MG 5.390 . 5.390 5.438 5.171 5.601 0.211 15 0 "[ . 1 . 2 . 3]" 1
563 2 15 LEU MD2 2 18 VAL H 4.930 . 4.930 4.626 4.376 4.819 . 0 0 "[ . 1 . 2 . 3]" 1
564 2 2 VAL QG 2 4 GLN H 4.980 . 4.980 4.288 3.853 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 10 ILE MD 2 3 ASN H 6.290 . 6.290 5.802 5.045 6.098 . 0 0 "[ . 1 . 2 . 3]" 1
566 2 15 LEU HB3 2 18 VAL H 5.840 . 5.840 5.224 4.985 5.450 . 0 0 "[ . 1 . 2 . 3]" 1
567 2 15 LEU MD1 2 25 PHE H 5.230 . 5.230 4.988 3.935 5.468 0.238 30 0 "[ . 1 . 2 . 3]" 1
568 2 14 ALA H 2 15 LEU MD2 5.230 . 5.230 5.365 5.096 5.546 0.316 20 0 "[ . 1 . 2 . 3]" 1
569 2 15 LEU MD1 2 24 PHE H 5.390 . 5.390 4.447 3.019 5.384 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 10 ILE HG13 2 5 HIS HD2 5.180 . 5.180 4.840 4.026 5.300 0.120 20 0 "[ . 1 . 2 . 3]" 1
571 1 10 ILE H 1 10 ILE HG13 4.870 . 4.870 3.335 2.726 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 15 GLN H 1 16 LEU MD2 5.770 . 5.770 5.523 5.346 5.784 0.014 19 0 "[ . 1 . 2 . 3]" 1
573 1 16 LEU MD2 1 18 ASN H 5.870 . 5.870 5.770 5.621 5.880 0.010 30 0 "[ . 1 . 2 . 3]" 1
574 2 12 VAL H 2 15 LEU MD1 5.060 . 5.060 4.541 4.070 4.798 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 10 ILE MG 2 3 ASN HD21 4.890 . 4.890 2.576 1.624 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
576 2 12 VAL H 2 15 LEU MD2 6.170 . 6.170 6.276 5.955 6.486 0.316 16 0 "[ . 1 . 2 . 3]" 1
577 1 13 LEU MD1 1 14 TYR QE 6.100 . 6.100 4.124 3.493 6.065 . 0 0 "[ . 1 . 2 . 3]" 1
578 1 13 LEU MD2 2 1 PHE HZ 5.820 . 5.820 3.912 3.108 5.725 . 0 0 "[ . 1 . 2 . 3]" 1
579 2 12 VAL H 2 14 ALA MB 5.450 . 5.450 5.001 4.900 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
580 2 12 VAL H 2 15 LEU HG 6.010 . 6.010 5.105 4.705 5.403 . 0 0 "[ . 1 . 2 . 3]" 1
581 2 15 LEU HG 2 24 PHE QE 5.110 . 5.110 5.052 4.655 5.369 0.259 28 0 "[ . 1 . 2 . 3]" 1
582 2 15 LEU HG 2 24 PHE QD 5.070 . 5.070 4.714 4.338 5.076 0.006 20 0 "[ . 1 . 2 . 3]" 1
583 1 16 LEU HG 1 19 TYR QE 5.220 . 5.220 4.287 3.957 4.647 . 0 0 "[ . 1 . 2 . 3]" 1
584 2 12 VAL H 2 13 GLU HB2 4.820 . 4.820 4.708 4.512 4.850 0.030 14 0 "[ . 1 . 2 . 3]" 1
585 1 19 TYR QD 2 15 LEU HB2 5.780 . 5.780 5.777 5.560 6.081 0.301 25 0 "[ . 1 . 2 . 3]" 1
586 1 13 LEU HG 1 14 TYR H 5.420 . 5.420 4.422 2.589 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 15 GLN H 1 16 LEU HG 5.180 . 5.180 4.469 4.284 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 15 GLN H 1 16 LEU HB2 5.200 . 5.200 4.720 4.473 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 13 LEU HG 2 1 PHE QE 5.330 . 5.330 3.671 2.804 5.406 0.076 6 0 "[ . 1 . 2 . 3]" 1
590 1 19 TYR QE 2 15 LEU HG 5.630 . 5.630 5.341 4.981 5.631 0.001 30 0 "[ . 1 . 2 . 3]" 1
591 1 14 TYR QE 1 15 GLN HG3 6.360 . 6.360 5.516 4.935 6.550 0.190 23 0 "[ . 1 . 2 . 3]" 1
592 1 14 TYR QE 1 15 GLN HG2 6.360 . 6.360 6.286 5.255 6.718 0.358 15 0 "[ . 1 . 2 . 3]" 1
593 2 24 PHE QD 2 25 PHE QB 4.870 . 4.870 4.512 3.927 4.918 0.048 19 0 "[ . 1 . 2 . 3]" 1
594 2 19 CYS HB3 2 23 GLY H 4.920 . 4.920 3.448 2.273 4.196 . 0 0 "[ . 1 . 2 . 3]" 1
595 2 19 CYS HB2 2 21 GLU H 6.500 . 6.500 5.807 3.449 6.675 0.175 25 0 "[ . 1 . 2 . 3]" 1
596 2 21 GLU H 2 22 ARG QD 6.500 . 6.500 5.843 5.068 6.553 0.053 26 0 "[ . 1 . 2 . 3]" 1
597 2 1 PHE QB 2 3 ASN H 5.680 . 5.680 5.319 4.965 5.753 0.073 14 0 "[ . 1 . 2 . 3]" 1
598 1 2 ILE MG 1 3 VAL HA 4.980 . 4.980 3.309 3.113 3.584 . 0 0 "[ . 1 . 2 . 3]" 1
599 2 1 PHE QD 2 2 VAL HA 4.690 . 4.690 3.668 3.126 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
600 2 6 LEU HB2 2 11 LEU HA 4.290 . 4.290 3.585 3.100 3.865 . 0 0 "[ . 1 . 2 . 3]" 1
601 2 6 LEU HG 2 11 LEU HA 5.090 . 5.090 4.059 2.499 5.226 0.136 20 0 "[ . 1 . 2 . 3]" 1
602 2 15 LEU HA 2 18 VAL H 3.910 . 3.910 3.203 3.048 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
603 2 15 LEU HA 2 19 CYS H 3.910 . 3.910 3.639 3.300 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
604 2 15 LEU HA 2 18 VAL MG2 4.550 . 4.550 4.610 4.427 4.735 0.185 15 0 "[ . 1 . 2 . 3]" 1
605 2 21 GLU HA 2 21 GLU QG 3.620 . 3.620 2.607 2.283 3.458 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 16 LEU MD1 2 15 LEU MD1 5.450 . 5.450 5.254 5.031 5.706 0.256 27 0 "[ . 1 . 2 . 3]" 1
607 2 15 LEU MD2 2 18 VAL MG2 4.430 . 4.430 4.423 4.212 4.614 0.184 19 0 "[ . 1 . 2 . 3]" 1
608 1 16 LEU MD1 2 15 LEU MD2 3.580 . 3.580 3.279 2.964 3.590 0.010 21 0 "[ . 1 . 2 . 3]" 1
609 1 16 LEU MD2 2 15 LEU MD2 3.240 . 3.240 2.190 2.067 2.482 . 0 0 "[ . 1 . 2 . 3]" 1
610 2 2 VAL QG 2 3 ASN QB 4.390 . 4.390 4.143 3.628 4.490 0.100 28 0 "[ . 1 . 2 . 3]" 1
611 1 1 GLY QA 1 2 ILE MD 5.340 . 5.340 4.989 4.545 5.353 0.013 29 0 "[ . 1 . 2 . 3]" 1
612 1 1 GLY QA 1 3 VAL QG 4.550 . 4.550 4.076 3.192 4.564 0.014 20 0 "[ . 1 . 2 . 3]" 1
613 1 2 ILE H 1 2 ILE QG 4.550 . 4.550 4.115 4.057 4.216 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 2 ILE H 1 3 VAL QG 4.430 . 4.430 3.980 3.676 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 2 ILE HA 1 3 VAL QG 5.360 . 5.360 4.837 4.712 4.993 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 2 ILE HA 1 5 GLN QB 4.670 . 4.670 2.552 2.293 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 2 ILE MG 1 3 VAL QG 3.810 . 3.810 2.688 2.392 3.052 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 2 ILE QG 1 19 TYR QD 4.610 . 4.610 3.785 3.271 4.389 . 0 0 "[ . 1 . 2 . 3]" 1
619 1 2 ILE QG 1 19 TYR QE 3.690 . 3.690 2.809 2.157 3.550 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 3 VAL H 1 3 VAL QG 2.990 . 2.990 2.148 1.964 2.385 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 3 VAL HA 1 3 VAL QG 2.980 . 2.980 2.162 2.120 2.194 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 3 VAL HA 2 11 LEU QD 3.940 . 3.940 2.221 2.009 2.658 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 3 VAL QG 1 4 GLU H 3.570 . 3.570 3.131 2.887 3.340 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 3 VAL QG 1 4 GLU HA 4.140 . 4.140 3.306 2.962 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 3 VAL QG 1 4 GLU QG 4.710 . 4.710 4.385 3.454 4.802 0.092 9 0 "[ . 1 . 2 . 3]" 1
626 1 3 VAL QG 1 6 CYS QB 4.070 . 4.070 3.761 3.545 4.098 0.028 25 0 "[ . 1 . 2 . 3]" 1
627 1 3 VAL QG 1 7 CYS H 4.440 . 4.440 4.166 4.018 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 3 VAL QG 1 7 CYS HB2 4.040 . 4.040 3.318 3.042 3.587 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 3 VAL QG 1 8 THR H 5.710 . 5.710 5.729 5.574 5.911 0.201 30 0 "[ . 1 . 2 . 3]" 1
630 1 3 VAL QG 2 11 LEU HB3 5.750 . 5.750 3.930 3.508 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 3 VAL QG 2 11 LEU HG 5.080 . 5.080 3.975 2.104 4.537 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 4 GLU HA 2 11 LEU QD 5.900 . 5.900 5.164 4.736 5.648 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 5 GLN H 1 5 GLN QG 4.860 . 4.860 2.796 2.086 4.150 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 5 GLN HA 1 5 GLN QG 3.620 . 3.620 2.467 2.031 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 5 GLN QB 1 8 THR MG 5.050 . 5.050 3.962 3.687 4.330 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 5 GLN QG 1 6 CYS H 4.880 . 4.880 4.156 3.692 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 6 CYS H 1 6 CYS QB 3.550 . 3.550 2.170 2.023 2.502 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 6 CYS H 2 11 LEU QD 4.380 . 4.380 3.824 3.498 4.273 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 6 CYS HA 2 11 LEU QD 4.410 . 4.410 4.423 4.146 4.705 0.295 1 0 "[ . 1 . 2 . 3]" 1
640 1 6 CYS QB 2 11 LEU QD 3.250 . 3.250 2.111 1.817 2.458 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 7 CYS H 2 11 LEU QD 4.820 . 4.820 4.021 3.571 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 7 CYS HA 2 11 LEU QD 4.710 . 4.710 4.506 4.116 4.930 0.220 21 0 "[ . 1 . 2 . 3]" 1
643 1 7 CYS HB2 2 11 LEU QD 4.330 . 4.330 3.911 3.403 4.479 0.149 21 0 "[ . 1 . 2 . 3]" 1
644 1 8 THR MG 1 9 SER QB 4.710 . 4.710 2.865 2.447 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 9 SER QB 1 10 ILE H 3.380 . 3.380 2.698 2.129 3.219 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 9 SER QB 2 5 HIS HE1 4.420 . 4.420 4.400 4.201 4.552 0.132 14 0 "[ . 1 . 2 . 3]" 1
647 1 10 ILE H 1 10 ILE QG 4.010 . 4.010 2.711 2.436 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 10 ILE HB 2 3 ASN QD 5.500 . 5.500 4.536 3.564 5.755 0.255 20 0 "[ . 1 . 2 . 3]" 1
649 1 10 ILE MG 2 3 ASN QD 4.310 . 4.310 2.505 1.618 4.092 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 10 ILE QG 2 5 HIS HD2 4.520 . 4.520 3.960 3.390 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 10 ILE QG 2 5 HIS HE1 3.680 . 3.680 3.029 2.622 3.438 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 10 ILE MD 2 4 GLN QB 4.600 . 4.600 4.033 3.538 4.752 0.152 22 0 "[ . 1 . 2 . 3]" 1
653 1 12 SER H 1 12 SER QB 3.560 . 3.560 2.756 2.392 3.099 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 12 SER H 1 15 GLN QG 4.330 . 4.330 2.749 2.128 3.310 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 12 SER QB 1 13 LEU H 2.950 . 2.950 2.519 2.228 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 12 SER QB 1 14 TYR H 3.400 . 3.400 2.741 2.294 2.973 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 12 SER QB 1 14 TYR QD 3.230 . 3.230 2.428 2.130 2.888 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 12 SER QB 1 15 GLN H 4.520 . 4.520 2.635 2.243 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 13 LEU H 1 13 LEU QB 2.990 . 2.990 2.253 1.980 2.421 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 13 LEU H 1 13 LEU QD 3.640 . 3.640 3.175 2.089 3.646 0.006 25 0 "[ . 1 . 2 . 3]" 1
661 1 13 LEU HA 1 13 LEU QD 2.880 . 2.880 2.220 2.001 3.165 0.285 13 0 "[ . 1 . 2 . 3]" 1
662 1 13 LEU HA 2 18 VAL QG 3.320 . 3.320 3.120 2.757 3.455 0.135 25 0 "[ . 1 . 2 . 3]" 1
663 1 13 LEU QB 1 14 TYR H 3.610 . 3.610 2.546 2.366 3.482 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 13 LEU QD 1 14 TYR QD 5.910 . 5.910 4.271 3.189 4.794 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 13 LEU QD 1 14 TYR QE 4.840 . 4.840 3.714 2.653 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 13 LEU QD 1 17 GLU H 5.140 . 5.140 4.698 3.665 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 13 LEU QD 1 17 GLU QG 3.940 . 3.940 3.642 2.526 4.439 0.499 9 0 "[ . 1 . 2 . 3]" 1
668 1 13 LEU QD 2 1 PHE HA 6.220 . 6.220 4.386 4.086 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 13 LEU QD 2 1 PHE QD 3.630 . 3.630 2.554 2.000 3.057 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 13 LEU QD 2 1 PHE QE 3.840 . 3.840 2.991 2.527 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
671 1 13 LEU QD 2 1 PHE HZ 4.730 . 4.730 3.665 3.090 4.539 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 13 LEU QD 2 18 VAL H 5.290 . 5.290 5.350 4.928 5.745 0.455 13 0 "[ . 1 . 2 . 3]" 1
673 1 13 LEU QD 2 18 VAL HB 3.950 . 3.950 3.535 3.023 4.111 0.161 13 0 "[ . 1 . 2 . 3]" 1
674 1 13 LEU QD 2 19 CYS H 6.200 . 6.200 6.352 6.083 6.550 0.350 20 0 "[ . 1 . 2 . 3]" 1
675 1 14 TYR H 1 14 TYR QB 3.080 . 3.080 2.821 2.676 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
676 1 14 TYR H 2 18 VAL QG 5.400 . 5.400 5.281 4.913 5.490 0.090 30 0 "[ . 1 . 2 . 3]" 1
677 1 14 TYR QB 1 15 GLN H 3.550 . 3.550 2.701 2.569 2.917 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 14 TYR QD 1 15 GLN QG 4.280 . 4.280 3.318 2.958 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 14 TYR QE 1 15 GLN QG 5.600 . 5.600 5.095 4.780 5.701 0.101 15 0 "[ . 1 . 2 . 3]" 1
680 1 15 GLN H 1 15 GLN QG 3.330 . 3.330 2.231 1.970 2.441 . 0 0 "[ . 1 . 2 . 3]" 1
681 1 15 GLN HA 1 15 GLN QG 3.460 . 3.460 2.537 2.371 3.002 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 15 GLN HA 1 18 ASN QD 3.750 . 3.750 2.516 2.029 2.944 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 15 GLN HB3 1 15 GLN QE 3.990 . 3.990 3.361 2.222 3.989 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 16 LEU H 1 17 GLU QG 5.130 . 5.130 4.634 4.310 4.997 . 0 0 "[ . 1 . 2 . 3]" 1
685 1 16 LEU H 2 18 VAL QG 5.350 . 5.350 4.288 4.058 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 16 LEU HA 2 11 LEU QD 5.300 . 5.300 4.751 4.170 5.491 0.191 14 0 "[ . 1 . 2 . 3]" 1
687 1 16 LEU HB2 2 18 VAL QG 3.260 . 3.260 2.538 2.286 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 16 LEU HB3 2 18 VAL QG 3.940 . 3.940 2.155 2.014 2.417 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 16 LEU HG 2 18 VAL QG 4.660 . 4.660 4.280 4.090 4.529 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 16 LEU MD1 2 18 VAL QG 3.830 . 3.830 2.762 2.460 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 16 LEU MD2 2 18 VAL QG 3.750 . 3.750 3.617 3.477 3.761 0.011 25 0 "[ . 1 . 2 . 3]" 1
692 1 17 GLU H 1 17 GLU QB 3.050 . 3.050 2.341 2.211 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 17 GLU H 1 17 GLU QG 3.160 . 3.160 2.514 2.186 2.816 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 17 GLU H 2 18 VAL QG 3.690 . 3.690 3.279 2.724 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
695 1 17 GLU HA 2 18 VAL QG 3.440 . 3.440 2.859 2.336 3.305 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 17 GLU QG 1 18 ASN H 5.080 . 5.080 4.118 2.409 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
697 1 17 GLU QG 2 18 VAL QG 3.210 . 3.210 2.288 1.939 3.209 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 18 ASN H 1 18 ASN QB 2.950 . 2.950 2.280 2.124 2.448 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 18 ASN H 1 18 ASN QD 4.220 . 4.220 3.471 2.631 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 18 ASN H 2 18 VAL QG 5.530 . 5.530 4.979 4.420 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 18 ASN QB 1 19 TYR QD 4.180 . 4.180 3.300 3.039 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 19 TYR H 1 19 TYR QB 3.150 . 3.150 2.552 2.422 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 19 TYR H 1 20 CYS QB 4.740 . 4.740 4.216 3.626 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 19 TYR QB 1 20 CYS H 4.100 . 4.100 3.243 2.768 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 19 TYR QB 2 15 LEU MD1 3.680 . 3.680 2.844 2.356 3.470 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 19 TYR QB 2 15 LEU MD2 3.390 . 3.390 2.413 2.129 2.878 . 0 0 "[ . 1 . 2 . 3]" 1
707 1 19 TYR QD 2 11 LEU QD 4.830 . 4.830 3.371 2.753 4.187 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 19 TYR QE 2 11 LEU QD 5.120 . 5.120 3.063 2.312 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 19 TYR QE 2 18 VAL QG 6.350 . 6.350 5.971 5.640 6.286 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 20 CYS H 1 20 CYS QB 3.090 . 3.090 2.497 2.181 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 20 CYS QB 1 21 ASN H 3.190 . 3.190 2.411 1.881 3.165 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 20 CYS QB 2 22 ARG QB 5.470 . 5.470 3.907 2.527 5.674 0.204 26 0 "[ . 1 . 2 . 3]" 1
713 1 21 ASN H 1 21 ASN QB 3.190 . 3.190 2.340 2.078 2.589 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 21 ASN H 1 21 ASN QD 4.640 . 4.640 4.266 2.742 4.688 0.048 13 0 "[ . 1 . 2 . 3]" 1
715 2 1 PHE QD 2 18 VAL QG 5.750 . 5.750 4.203 3.486 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
716 2 1 PHE QE 2 6 LEU QD 4.690 . 4.690 3.884 3.446 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
717 2 1 PHE QE 2 18 VAL QG 4.160 . 4.160 3.884 3.326 4.212 0.052 15 0 "[ . 1 . 2 . 3]" 1
718 2 1 PHE HZ 2 6 LEU QD 4.500 . 4.500 3.241 2.714 4.052 . 0 0 "[ . 1 . 2 . 3]" 1
719 2 1 PHE HZ 2 18 VAL QG 5.220 . 5.220 4.697 4.247 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
720 2 2 VAL QG 2 3 ASN QD 5.590 . 5.590 4.771 4.023 5.528 . 0 0 "[ . 1 . 2 . 3]" 1
721 2 2 VAL QG 2 4 GLN QG 4.360 . 4.360 3.179 1.978 4.522 0.162 11 0 "[ . 1 . 2 . 3]" 1
722 2 2 VAL QG 2 4 GLN QE 4.160 . 4.160 2.814 1.713 4.206 0.046 10 0 "[ . 1 . 2 . 3]" 1
723 2 3 ASN H 2 3 ASN QD 4.050 . 4.050 3.842 3.244 4.089 0.039 30 0 "[ . 1 . 2 . 3]" 1
724 2 3 ASN QB 2 3 ASN QD 2.920 . 2.920 2.141 2.049 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
725 2 4 GLN H 2 4 GLN QG 3.540 . 3.540 2.610 2.166 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
726 2 4 GLN HA 2 4 GLN QG 3.630 . 3.630 3.151 2.248 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
727 2 4 GLN HA 2 4 GLN QE 5.320 . 5.320 4.744 4.401 5.280 . 0 0 "[ . 1 . 2 . 3]" 1
728 2 4 GLN QB 2 5 HIS H 3.400 . 3.400 2.287 2.044 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
729 2 4 GLN QG 2 6 LEU QD 4.880 . 4.880 2.559 1.919 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
730 2 4 GLN QE 2 6 LEU QD 4.830 . 4.830 3.610 2.545 4.951 0.121 22 0 "[ . 1 . 2 . 3]" 1
731 2 5 HIS H 2 5 HIS QB 3.120 . 3.120 2.347 2.255 2.511 . 0 0 "[ . 1 . 2 . 3]" 1
732 2 5 HIS QB 2 5 HIS HD2 3.260 . 3.260 2.742 2.659 2.828 . 0 0 "[ . 1 . 2 . 3]" 1
733 2 5 HIS QB 2 6 LEU H 4.180 . 4.180 3.085 2.770 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
734 2 5 HIS QB 2 6 LEU QD 5.020 . 5.020 4.373 3.968 4.642 . 0 0 "[ . 1 . 2 . 3]" 1
735 2 6 LEU H 2 6 LEU QD 4.330 . 4.330 3.171 2.422 3.645 . 0 0 "[ . 1 . 2 . 3]" 1
736 2 6 LEU HA 2 6 LEU QD 2.890 . 2.890 2.243 2.020 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
737 2 6 LEU QB 2 6 LEU QD 2.710 . 2.710 1.984 1.875 2.115 . 0 0 "[ . 1 . 2 . 3]" 1
738 2 6 LEU QB 2 7 CYS H 3.670 . 3.670 3.327 3.100 3.503 . 0 0 "[ . 1 . 2 . 3]" 1
739 2 6 LEU QB 2 10 HIS QB 3.530 . 3.530 2.716 2.448 3.112 . 0 0 "[ . 1 . 2 . 3]" 1
740 2 6 LEU QB 2 11 LEU H 4.970 . 4.970 3.429 3.136 3.700 . 0 0 "[ . 1 . 2 . 3]" 1
741 2 6 LEU QB 2 11 LEU HA 3.490 . 3.490 2.483 2.102 2.903 . 0 0 "[ . 1 . 2 . 3]" 1
742 2 6 LEU QB 2 11 LEU HB3 6.240 . 6.240 4.394 3.842 5.085 . 0 0 "[ . 1 . 2 . 3]" 1
743 2 6 LEU QB 2 11 LEU HG 5.500 . 5.500 2.689 2.042 4.877 . 0 0 "[ . 1 . 2 . 3]" 1
744 2 6 LEU QB 2 11 LEU QD 3.350 . 3.350 2.626 1.925 3.067 . 0 0 "[ . 1 . 2 . 3]" 1
745 2 6 LEU HB3 2 11 LEU MD1 5.700 . 5.700 3.357 2.284 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
746 2 6 LEU HB3 2 11 LEU MD2 5.700 . 5.700 3.736 2.174 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
747 2 6 LEU QB 2 14 ALA H 5.360 . 5.360 4.968 4.715 5.269 . 0 0 "[ . 1 . 2 . 3]" 1
748 2 6 LEU QD 2 7 CYS H 4.340 . 4.340 3.817 3.540 4.090 . 0 0 "[ . 1 . 2 . 3]" 1
749 2 6 LEU QD 2 7 CYS HA 6.120 . 6.120 5.306 5.179 5.437 . 0 0 "[ . 1 . 2 . 3]" 1
750 2 6 LEU QD 2 10 HIS QB 3.170 . 3.170 2.109 1.926 2.401 . 0 0 "[ . 1 . 2 . 3]" 1
751 2 6 LEU QD 2 10 HIS HD2 5.640 . 5.640 5.124 4.796 5.508 . 0 0 "[ . 1 . 2 . 3]" 1
752 2 6 LEU QD 2 10 HIS HE1 4.850 . 4.850 4.453 3.665 5.158 0.308 14 0 "[ . 1 . 2 . 3]" 1
753 2 6 LEU QD 2 11 LEU H 5.130 . 5.130 4.150 3.701 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
754 2 6 LEU QD 2 11 LEU HA 4.100 . 4.100 2.834 2.137 3.926 . 0 0 "[ . 1 . 2 . 3]" 1
755 2 6 LEU QD 2 13 GLU H 6.140 . 6.140 5.189 4.750 6.124 . 0 0 "[ . 1 . 2 . 3]" 1
756 2 6 LEU QD 2 14 ALA H 4.290 . 4.290 3.721 3.434 4.563 0.273 17 0 "[ . 1 . 2 . 3]" 1
757 2 6 LEU QD 2 14 ALA HA 4.860 . 4.860 4.149 3.950 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
758 2 6 LEU QD 2 14 ALA MB 2.780 . 2.780 2.150 1.929 2.587 . 0 0 "[ . 1 . 2 . 3]" 1
759 2 6 LEU QD 2 15 LEU H 5.150 . 5.150 4.701 4.226 5.342 0.192 12 0 "[ . 1 . 2 . 3]" 1
760 2 7 CYS H 2 7 CYS QB 3.280 . 3.280 2.608 2.346 2.806 . 0 0 "[ . 1 . 2 . 3]" 1
761 2 7 CYS H 2 10 HIS QB 3.450 . 3.450 2.331 1.960 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
762 2 7 CYS H 2 11 LEU QD 5.030 . 5.030 4.103 3.475 4.871 . 0 0 "[ . 1 . 2 . 3]" 1
763 2 7 CYS HA 2 11 LEU QD 4.330 . 4.330 2.862 2.242 3.967 . 0 0 "[ . 1 . 2 . 3]" 1
764 2 7 CYS QB 2 8 GLY H 3.910 . 3.910 2.801 1.980 3.888 . 0 0 "[ . 1 . 2 . 3]" 1
765 2 7 CYS QB 2 11 LEU QD 4.970 . 4.970 4.443 4.021 5.253 0.283 21 0 "[ . 1 . 2 . 3]" 1
766 2 8 GLY QA 2 9 SER H 3.060 . 3.060 2.158 1.953 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
767 2 8 GLY QA 2 10 HIS H 3.900 . 3.900 3.447 3.154 3.974 0.074 25 0 "[ . 1 . 2 . 3]" 1
768 2 9 SER H 2 12 VAL QG 4.960 . 4.960 4.393 4.095 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
769 2 9 SER HA 2 12 VAL QG 2.980 . 2.980 2.126 1.915 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
770 2 9 SER QB 2 12 VAL QG 4.090 . 4.090 3.183 2.538 3.683 . 0 0 "[ . 1 . 2 . 3]" 1
771 2 10 HIS H 2 12 VAL QG 4.680 . 4.680 4.346 4.116 4.534 . 0 0 "[ . 1 . 2 . 3]" 1
772 2 10 HIS QB 2 11 LEU H 4.350 . 4.350 2.924 2.666 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
773 2 10 HIS QB 2 11 LEU QD 4.330 . 4.330 4.156 3.490 4.674 0.344 1 0 "[ . 1 . 2 . 3]" 1
774 2 10 HIS QB 2 14 ALA H 5.200 . 5.200 4.609 4.262 4.831 . 0 0 "[ . 1 . 2 . 3]" 1
775 2 10 HIS QB 2 14 ALA MB 5.880 . 5.880 4.049 3.692 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
776 2 11 LEU H 2 11 LEU QD 4.400 . 4.400 3.248 2.432 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
777 2 11 LEU HA 2 11 LEU QD 2.960 . 2.960 2.546 1.899 3.018 0.058 16 0 "[ . 1 . 2 . 3]" 1
778 2 11 LEU HA 2 12 VAL QG 5.740 . 5.740 4.620 4.411 4.892 . 0 0 "[ . 1 . 2 . 3]" 1
779 2 11 LEU HB3 2 11 LEU QD 2.970 . 2.970 2.145 2.008 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
780 2 11 LEU QD 2 13 GLU H 6.400 . 6.400 5.299 5.074 5.576 . 0 0 "[ . 1 . 2 . 3]" 1
781 2 11 LEU QD 2 14 ALA H 6.400 . 6.400 4.886 4.426 5.423 . 0 0 "[ . 1 . 2 . 3]" 1
782 2 11 LEU QD 2 15 LEU MD1 3.830 . 3.830 2.675 2.191 3.743 . 0 0 "[ . 1 . 2 . 3]" 1
783 2 12 VAL H 2 12 VAL QG 3.100 . 3.100 1.882 1.705 2.115 . 0 0 "[ . 1 . 2 . 3]" 1
784 2 12 VAL HA 2 12 VAL QG 2.940 . 2.940 2.347 2.187 2.553 . 0 0 "[ . 1 . 2 . 3]" 1
785 2 12 VAL QG 2 13 GLU H 3.440 . 3.440 2.289 2.106 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
786 2 12 VAL QG 2 13 GLU QG 3.850 . 3.850 2.808 2.420 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
787 2 12 VAL QG 2 14 ALA H 4.900 . 4.900 4.330 4.174 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
788 2 12 VAL QG 2 15 LEU H 5.420 . 5.420 4.483 4.343 4.631 . 0 0 "[ . 1 . 2 . 3]" 1
789 2 12 VAL QG 2 15 LEU MD1 4.520 . 4.520 3.503 2.579 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
790 2 12 VAL QG 2 16 TYR H 5.370 . 5.370 4.310 3.830 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
791 2 12 VAL QG 2 16 TYR QB 4.430 . 4.430 3.860 3.110 4.479 0.049 28 0 "[ . 1 . 2 . 3]" 1
792 2 12 VAL QG 2 24 PHE QD 4.540 . 4.540 3.819 3.051 4.664 0.124 16 0 "[ . 1 . 2 . 3]" 1
793 2 12 VAL QG 2 24 PHE QE 3.130 . 3.130 2.445 1.876 2.980 . 0 0 "[ . 1 . 2 . 3]" 1
794 2 14 ALA H 2 17 LEU QD 5.230 . 5.230 4.455 4.199 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
795 2 14 ALA HA 2 18 VAL QG 4.890 . 4.890 4.698 4.422 5.031 0.141 25 0 "[ . 1 . 2 . 3]" 1
796 2 14 ALA MB 2 17 LEU QD 4.270 . 4.270 3.856 3.494 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
797 2 14 ALA MB 2 18 VAL QG 4.350 . 4.350 3.870 3.596 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
798 2 15 LEU H 2 17 LEU QD 6.400 . 6.400 5.307 5.084 5.607 . 0 0 "[ . 1 . 2 . 3]" 1
799 2 15 LEU H 2 18 VAL QG 4.520 . 4.520 4.285 4.059 4.601 0.081 25 0 "[ . 1 . 2 . 3]" 1
800 2 15 LEU HA 2 18 VAL QG 3.290 . 3.290 2.002 1.893 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
801 2 15 LEU HB3 2 18 VAL QG 4.000 . 4.000 3.681 3.450 3.853 . 0 0 "[ . 1 . 2 . 3]" 1
802 2 15 LEU HG 2 18 VAL QG 4.730 . 4.730 4.323 4.092 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
803 2 15 LEU MD1 2 24 PHE QB 4.780 . 4.780 2.380 2.103 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
804 2 15 LEU MD2 2 18 VAL QG 3.510 . 3.510 2.483 2.276 2.625 . 0 0 "[ . 1 . 2 . 3]" 1
805 2 15 LEU MD2 2 24 PHE QB 4.760 . 4.760 3.538 2.985 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
806 2 16 TYR H 2 17 LEU QD 6.350 . 6.350 4.897 4.712 5.077 . 0 0 "[ . 1 . 2 . 3]" 1
807 2 16 TYR H 2 18 VAL QG 4.950 . 4.950 4.595 4.403 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
808 2 16 TYR QB 2 17 LEU QD 4.830 . 4.830 4.007 3.809 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
809 2 16 TYR QE 2 17 LEU QD 4.080 . 4.080 3.179 2.515 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
810 2 17 LEU H 2 17 LEU QD 4.230 . 4.230 3.214 3.141 3.356 . 0 0 "[ . 1 . 2 . 3]" 1
811 2 17 LEU H 2 18 VAL QG 4.780 . 4.780 4.374 4.205 4.522 . 0 0 "[ . 1 . 2 . 3]" 1
812 2 17 LEU HB2 2 18 VAL QG 4.480 . 4.480 4.317 4.106 4.503 0.023 22 0 "[ . 1 . 2 . 3]" 1
813 2 17 LEU QD 2 18 VAL H 4.600 . 4.600 4.168 4.066 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
814 2 18 VAL H 2 18 VAL QG 2.910 . 2.910 2.445 2.200 2.722 . 0 0 "[ . 1 . 2 . 3]" 1
815 2 18 VAL H 2 19 CYS QB 5.520 . 5.520 4.634 4.206 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
816 2 18 VAL QG 2 19 CYS H 3.310 . 3.310 2.371 2.183 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
817 2 18 VAL QG 2 19 CYS HA 3.920 . 3.920 3.338 3.045 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
818 2 18 VAL QG 2 20 GLY H 4.600 . 4.600 4.129 3.780 4.412 . 0 0 "[ . 1 . 2 . 3]" 1
819 2 19 CYS H 2 19 CYS QB 3.100 . 3.100 2.451 2.128 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
820 2 19 CYS QB 2 23 GLY H 4.130 . 4.130 3.190 2.248 3.829 . 0 0 "[ . 1 . 2 . 3]" 1
821 2 21 GLU H 2 21 GLU QB 3.560 . 3.560 2.570 2.142 3.563 0.003 23 0 "[ . 1 . 2 . 3]" 1
822 2 21 GLU QB 2 22 ARG H 3.690 . 3.690 3.167 2.712 3.778 0.088 29 0 "[ . 1 . 2 . 3]" 1
823 2 23 GLY QA 2 24 PHE QD 3.780 . 3.780 3.117 2.778 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
824 2 23 GLY QA 2 24 PHE QE 4.960 . 4.960 4.354 3.590 5.004 0.044 21 0 "[ . 1 . 2 . 3]" 1
825 2 24 PHE QB 2 25 PHE H 3.340 . 3.340 2.357 2.140 2.602 . 0 0 "[ . 1 . 2 . 3]" 1
826 2 27 THR H 2 28 PRO QD 4.750 . 4.750 4.529 4.072 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
827 2 27 THR HA 2 28 PRO QD 2.870 . 2.870 2.435 2.118 2.668 . 0 0 "[ . 1 . 2 . 3]" 1
828 2 27 THR MG 2 28 PRO QD 3.720 . 3.720 3.311 2.957 3.657 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 6 CYS SG 1 11 CYS SG 2.100 . 2.100 2.032 2.016 2.072 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 6 CYS SG 1 11 CYS CB 3.100 3.000 3.100 3.047 2.996 3.145 0.045 27 0 "[ . 1 . 2 . 3]" 1
831 1 6 CYS CB 1 11 CYS SG 3.100 3.000 3.100 3.055 2.988 3.095 0.012 29 0 "[ . 1 . 2 . 3]" 1
832 1 7 CYS SG 2 7 CYS SG 2.100 . 2.100 2.028 1.992 2.056 0.008 29 0 "[ . 1 . 2 . 3]" 1
833 1 7 CYS SG 2 7 CYS CB 3.100 3.000 3.100 3.047 2.976 3.127 0.027 26 0 "[ . 1 . 2 . 3]" 1
834 1 7 CYS CB 2 7 CYS SG 3.100 3.000 3.100 3.047 2.967 3.163 0.063 25 0 "[ . 1 . 2 . 3]" 1
835 1 20 CYS SG 2 19 CYS SG 2.100 . 2.100 2.025 1.985 2.048 0.015 1 0 "[ . 1 . 2 . 3]" 1
836 1 20 CYS SG 2 19 CYS CB 3.100 3.000 3.100 3.044 2.981 3.115 0.019 16 0 "[ . 1 . 2 . 3]" 1
837 1 20 CYS CB 2 19 CYS SG 3.100 3.000 3.100 3.023 2.951 3.115 0.049 19 0 "[ . 1 . 2 . 3]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 311
_Distance_constraint_stats_list.Viol_total 521.503
_Distance_constraint_stats_list.Viol_max 0.358
_Distance_constraint_stats_list.Viol_rms 0.0425
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0223
_Distance_constraint_stats_list.Viol_average_violations_only 0.0559
_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 2 ILE 0.507 0.068 19 0 "[ . 1 . 2 . 3]"
1 3 VAL 3.731 0.358 28 0 "[ . 1 . 2 . 3]"
1 4 GLU 0.214 0.065 19 0 "[ . 1 . 2 . 3]"
1 6 CYS 0.507 0.068 19 0 "[ . 1 . 2 . 3]"
1 7 CYS 3.731 0.358 28 0 "[ . 1 . 2 . 3]"
1 8 THR 0.214 0.065 19 0 "[ . 1 . 2 . 3]"
1 12 SER 1.499 0.119 24 0 "[ . 1 . 2 . 3]"
1 13 LEU 0.359 0.076 24 0 "[ . 1 . 2 . 3]"
1 14 TYR 2.663 0.199 23 0 "[ . 1 . 2 . 3]"
1 16 LEU 4.138 0.217 24 0 "[ . 1 . 2 . 3]"
1 17 GLU 0.359 0.076 24 0 "[ . 1 . 2 . 3]"
1 18 ASN 2.663 0.199 23 0 "[ . 1 . 2 . 3]"
1 19 TYR 2.639 0.217 24 0 "[ . 1 . 2 . 3]"
2 10 HIS 1.866 0.170 29 0 "[ . 1 . 2 . 3]"
2 11 LEU 0.865 0.123 19 0 "[ . 1 . 2 . 3]"
2 12 VAL 0.272 0.067 21 0 "[ . 1 . 2 . 3]"
2 13 GLU 1.754 0.168 29 0 "[ . 1 . 2 . 3]"
2 14 ALA 1.973 0.170 29 0 "[ . 1 . 2 . 3]"
2 15 LEU 1.772 0.126 27 0 "[ . 1 . 2 . 3]"
2 16 TYR 0.272 0.067 21 0 "[ . 1 . 2 . 3]"
2 17 LEU 1.754 0.168 29 0 "[ . 1 . 2 . 3]"
2 18 VAL 0.107 0.044 23 0 "[ . 1 . 2 . 3]"
2 19 CYS 0.907 0.126 27 0 "[ . 1 . 2 . 3]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 ILE O 1 6 CYS H 2.000 . 2.000 1.963 1.862 2.068 0.068 19 0 "[ . 1 . 2 . 3]" 2
2 1 2 ILE O 1 6 CYS N 3.000 2.700 3.000 2.947 2.868 3.066 0.066 19 0 "[ . 1 . 2 . 3]" 2
3 1 3 VAL O 1 7 CYS H 2.000 . 2.000 2.119 2.017 2.358 0.358 28 0 "[ . 1 . 2 . 3]" 2
4 1 3 VAL O 1 7 CYS N 3.000 2.700 3.000 2.931 2.830 3.121 0.121 28 0 "[ . 1 . 2 . 3]" 2
5 1 4 GLU O 1 8 THR H 2.000 . 2.000 1.876 1.735 2.017 0.065 19 0 "[ . 1 . 2 . 3]" 2
6 1 4 GLU O 1 8 THR N 3.000 2.700 3.000 2.881 2.741 3.031 0.031 27 0 "[ . 1 . 2 . 3]" 2
7 1 12 SER O 1 16 LEU H 2.000 . 2.000 2.023 1.915 2.119 0.119 24 0 "[ . 1 . 2 . 3]" 2
8 1 12 SER O 1 16 LEU N 3.000 2.700 3.000 3.008 2.916 3.063 0.063 1 0 "[ . 1 . 2 . 3]" 2
9 1 13 LEU O 1 17 GLU H 2.000 . 2.000 1.957 1.868 2.076 0.076 24 0 "[ . 1 . 2 . 3]" 2
10 1 13 LEU O 1 17 GLU N 3.000 2.700 3.000 2.927 2.835 3.018 0.018 18 0 "[ . 1 . 2 . 3]" 2
11 1 14 TYR O 1 18 ASN H 2.000 . 2.000 2.085 1.953 2.199 0.199 23 0 "[ . 1 . 2 . 3]" 2
12 1 14 TYR O 1 18 ASN N 3.000 2.700 3.000 2.957 2.806 3.025 0.025 1 0 "[ . 1 . 2 . 3]" 2
13 1 16 LEU O 1 19 TYR H 2.000 . 2.000 2.065 1.986 2.217 0.217 24 0 "[ . 1 . 2 . 3]" 2
14 1 16 LEU O 1 19 TYR N 3.000 2.700 3.000 3.003 2.912 3.082 0.082 15 0 "[ . 1 . 2 . 3]" 2
15 2 10 HIS O 2 14 ALA H 2.000 . 2.000 2.036 1.886 2.170 0.170 29 0 "[ . 1 . 2 . 3]" 2
16 2 10 HIS O 2 14 ALA N 3.000 2.700 3.000 2.979 2.830 3.104 0.104 22 0 "[ . 1 . 2 . 3]" 2
17 2 11 LEU O 2 15 LEU H 2.000 . 2.000 1.991 1.881 2.123 0.123 19 0 "[ . 1 . 2 . 3]" 2
18 2 11 LEU O 2 15 LEU N 3.000 2.700 3.000 2.966 2.867 3.067 0.067 19 0 "[ . 1 . 2 . 3]" 2
19 2 12 VAL O 2 16 TYR H 2.000 . 2.000 1.943 1.807 2.067 0.067 21 0 "[ . 1 . 2 . 3]" 2
20 2 12 VAL O 2 16 TYR N 3.000 2.700 3.000 2.888 2.776 3.009 0.009 21 0 "[ . 1 . 2 . 3]" 2
21 2 13 GLU O 2 17 LEU H 2.000 . 2.000 2.034 1.946 2.168 0.168 29 0 "[ . 1 . 2 . 3]" 2
22 2 13 GLU O 2 17 LEU N 3.000 2.700 3.000 3.003 2.894 3.115 0.115 29 0 "[ . 1 . 2 . 3]" 2
23 2 14 ALA O 2 18 VAL H 2.000 . 2.000 1.928 1.804 2.044 0.044 23 0 "[ . 1 . 2 . 3]" 2
24 2 14 ALA O 2 18 VAL N 3.000 2.700 3.000 2.877 2.770 2.980 . 0 0 "[ . 1 . 2 . 3]" 2
25 2 15 LEU O 2 19 CYS H 2.000 . 2.000 1.966 1.752 2.126 0.126 27 0 "[ . 1 . 2 . 3]" 2
26 2 15 LEU O 2 19 CYS N 3.000 2.700 3.000 2.913 2.742 3.094 0.094 24 0 "[ . 1 . 2 . 3]" 2
stop_
save_
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