NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507694 |
2en3   |
10232 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2en3
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 59
_Distance_constraint_stats_list.Viol_total 1.341
_Distance_constraint_stats_list.Viol_max 0.004
_Distance_constraint_stats_list.Viol_rms 0.0007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0011
_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 0.022 0.002 7 0 "[ . 1 . 2]"
1 18 CYS 0.048 0.004 7 0 "[ . 1 . 2]"
1 31 HIS 0.007 0.003 6 0 "[ . 1 . 2]"
1 35 HIS 0.011 0.003 13 0 "[ . 1 . 2]"
2 1 ZN 0.047 0.004 7 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 . 2.330 2.370 2.347 2.329 2.370 0.001 13 0 "[ . 1 . 2]" 1
2 1 18 CYS SG 2 1 ZN ZN . 2.330 2.370 2.330 2.326 2.334 0.004 2 0 "[ . 1 . 2]" 1
3 1 31 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.352 2.331 2.373 0.003 6 0 "[ . 1 . 2]" 1
4 1 35 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.337 2.327 2.364 0.003 13 0 "[ . 1 . 2]" 1
5 1 15 CYS CB 2 1 ZN ZN . 3.250 3.510 3.438 3.331 3.511 0.001 4 0 "[ . 1 . 2]" 1
6 1 18 CYS CB 2 1 ZN ZN . 3.250 3.510 3.507 3.445 3.514 0.004 7 0 "[ . 1 . 2]" 1
7 1 15 CYS SG 1 18 CYS SG . 3.200 4.000 3.993 3.907 4.002 0.002 20 0 "[ . 1 . 2]" 1
8 1 15 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.812 3.698 3.997 . 0 0 "[ . 1 . 2]" 1
9 1 15 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.979 3.890 4.002 0.002 7 0 "[ . 1 . 2]" 1
10 1 18 CYS SG 1 31 HIS NE2 . 3.200 4.000 3.346 3.218 3.532 . 0 0 "[ . 1 . 2]" 1
11 1 18 CYS SG 1 35 HIS NE2 . 3.200 4.000 3.973 3.905 4.001 0.001 17 0 "[ . 1 . 2]" 1
12 1 31 HIS NE2 1 35 HIS NE2 . 3.200 4.000 3.621 3.339 3.854 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 650
_Distance_constraint_stats_list.Viol_count 282
_Distance_constraint_stats_list.Viol_total 64.619
_Distance_constraint_stats_list.Viol_max 0.070
_Distance_constraint_stats_list.Viol_rms 0.0027
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0115
_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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 6 0 "[ . 1 . 2]"
1 8 THR 0.756 0.052 16 0 "[ . 1 . 2]"
1 10 GLU 0.197 0.024 17 0 "[ . 1 . 2]"
1 11 LYS 0.331 0.067 16 0 "[ . 1 . 2]"
1 12 PRO 0.475 0.067 16 0 "[ . 1 . 2]"
1 13 PHE 0.108 0.027 17 0 "[ . 1 . 2]"
1 14 GLN 0.184 0.023 12 0 "[ . 1 . 2]"
1 15 CYS 0.270 0.022 11 0 "[ . 1 . 2]"
1 16 LYS 0.051 0.013 8 0 "[ . 1 . 2]"
1 17 GLU 0.064 0.013 8 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.539 0.024 20 0 "[ . 1 . 2]"
1 20 MET 0.358 0.024 20 0 "[ . 1 . 2]"
1 21 ASN 0.269 0.023 12 0 "[ . 1 . 2]"
1 22 PHE 0.088 0.016 12 0 "[ . 1 . 2]"
1 23 SER 0.005 0.005 2 0 "[ . 1 . 2]"
1 24 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 CYS 0.004 0.002 9 0 "[ . 1 . 2]"
1 27 SER 0.005 0.005 10 0 "[ . 1 . 2]"
1 28 LEU 0.017 0.005 2 0 "[ . 1 . 2]"
1 29 PHE 0.004 0.002 9 0 "[ . 1 . 2]"
1 30 LYS 0.033 0.009 15 0 "[ . 1 . 2]"
1 31 HIS 0.040 0.009 13 0 "[ . 1 . 2]"
1 32 LEU 0.029 0.017 7 0 "[ . 1 . 2]"
1 33 ARG 0.033 0.015 7 0 "[ . 1 . 2]"
1 34 SER 0.359 0.030 11 0 "[ . 1 . 2]"
1 35 HIS 0.251 0.042 7 0 "[ . 1 . 2]"
1 36 GLU 0.221 0.030 15 0 "[ . 1 . 2]"
1 37 ARG 0.416 0.070 19 0 "[ . 1 . 2]"
1 38 THR 0.179 0.070 19 0 "[ . 1 . 2]"
1 39 ASP 0.001 0.001 12 0 "[ . 1 . 2]"
1 40 PRO 0.044 0.042 20 0 "[ . 1 . 2]"
1 41 SER 0.042 0.042 20 0 "[ . 1 . 2]"
1 42 GLY 0.019 0.019 20 0 "[ . 1 . 2]"
1 43 PRO 0.019 0.019 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 34 SER H 1 36 GLU H . . 4.230 4.124 3.975 4.189 . 0 0 "[ . 1 . 2]" 2
2 1 33 ARG H 1 34 SER H . . 3.260 2.783 2.741 2.839 . 0 0 "[ . 1 . 2]" 2
3 1 34 SER H 1 34 SER HB2 . . 3.780 2.724 2.271 3.586 . 0 0 "[ . 1 . 2]" 2
4 1 32 LEU H 1 34 SER H . . 4.710 4.312 4.169 4.457 . 0 0 "[ . 1 . 2]" 2
5 1 18 CYS HA 1 20 MET H . . 4.920 4.645 4.584 4.711 . 0 0 "[ . 1 . 2]" 2
6 1 36 GLU QB 1 37 ARG H . . 3.700 3.438 2.417 3.620 . 0 0 "[ . 1 . 2]" 2
7 1 20 MET H 1 20 MET HG3 . . 4.160 3.643 3.513 3.700 . 0 0 "[ . 1 . 2]" 2
8 1 37 ARG H 1 37 ARG HB2 . . 3.750 3.013 2.286 3.730 . 0 0 "[ . 1 . 2]" 2
9 1 37 ARG H 1 37 ARG HB3 . . 3.750 2.602 2.306 2.884 . 0 0 "[ . 1 . 2]" 2
10 1 20 MET H 1 20 MET HB3 . . 3.660 3.525 3.493 3.565 . 0 0 "[ . 1 . 2]" 2
11 1 37 ARG H 1 37 ARG QG . . 4.150 3.642 2.178 4.174 0.024 18 0 "[ . 1 . 2]" 2
12 1 11 LYS H 1 11 LYS HG2 . . 4.680 2.856 1.918 4.223 . 0 0 "[ . 1 . 2]" 2
13 1 11 LYS H 1 11 LYS QD . . 4.970 3.824 1.890 4.211 . 0 0 "[ . 1 . 2]" 2
14 1 11 LYS H 1 11 LYS HG3 . . 4.680 4.048 3.377 4.489 . 0 0 "[ . 1 . 2]" 2
15 1 17 GLU HG2 1 19 GLY H . . 5.150 5.043 4.980 5.105 . 0 0 "[ . 1 . 2]" 2
16 1 15 CYS H 1 19 GLY H . . 4.330 3.972 3.731 4.141 . 0 0 "[ . 1 . 2]" 2
17 1 17 GLU H 1 19 GLY H . . 3.870 3.049 2.986 3.138 . 0 0 "[ . 1 . 2]" 2
18 1 18 CYS H 1 19 GLY H . . 2.930 1.866 1.798 1.927 . 0 0 "[ . 1 . 2]" 2
19 1 19 GLY H 1 20 MET H . . 3.410 2.213 2.152 2.331 . 0 0 "[ . 1 . 2]" 2
20 1 19 GLY H 1 19 GLY HA2 . . 2.940 2.420 2.406 2.443 . 0 0 "[ . 1 . 2]" 2
21 1 15 CYS HB2 1 19 GLY H . . 3.800 3.629 3.583 3.658 . 0 0 "[ . 1 . 2]" 2
22 1 15 CYS HB3 1 19 GLY H . . 3.690 1.891 1.878 1.901 . 0 0 "[ . 1 . 2]" 2
23 1 19 GLY H 1 20 MET HG3 . . 5.500 5.478 5.340 5.509 0.009 7 0 "[ . 1 . 2]" 2
24 1 14 GLN HG3 1 19 GLY H . . 5.110 4.884 4.679 5.043 . 0 0 "[ . 1 . 2]" 2
25 1 17 GLU QB 1 19 GLY H . . 4.380 3.962 3.873 4.058 . 0 0 "[ . 1 . 2]" 2
26 1 19 GLY H 1 20 MET HB3 . . 5.500 5.510 5.490 5.524 0.024 20 0 "[ . 1 . 2]" 2
27 1 31 HIS HD2 1 32 LEU H . . 4.200 3.330 3.214 3.528 . 0 0 "[ . 1 . 2]" 2
28 1 29 PHE HA 1 32 LEU H . . 3.880 3.139 3.047 3.263 . 0 0 "[ . 1 . 2]" 2
29 1 31 HIS HB3 1 32 LEU H . . 3.900 2.708 2.637 2.813 . 0 0 "[ . 1 . 2]" 2
30 1 32 LEU H 1 32 LEU HB2 . . 3.220 2.222 2.199 2.240 . 0 0 "[ . 1 . 2]" 2
31 1 32 LEU H 1 32 LEU MD1 . . 3.690 3.552 3.410 3.670 . 0 0 "[ . 1 . 2]" 2
32 1 16 LYS H 1 17 GLU H . . 3.850 2.522 2.256 2.656 . 0 0 "[ . 1 . 2]" 2
33 1 17 GLU H 1 18 CYS H . . 3.180 2.348 2.235 2.447 . 0 0 "[ . 1 . 2]" 2
34 1 17 GLU H 1 18 CYS HA . . 5.130 4.877 4.805 4.955 . 0 0 "[ . 1 . 2]" 2
35 1 15 CYS HA 1 17 GLU H . . 4.040 3.503 3.337 3.685 . 0 0 "[ . 1 . 2]" 2
36 1 17 GLU H 1 19 GLY HA2 . . 4.690 4.615 4.539 4.697 0.007 20 0 "[ . 1 . 2]" 2
37 1 15 CYS HB2 1 17 GLU H . . 4.550 4.313 4.259 4.361 . 0 0 "[ . 1 . 2]" 2
38 1 15 CYS HB3 1 17 GLU H . . 4.480 3.189 3.054 3.358 . 0 0 "[ . 1 . 2]" 2
39 1 16 LYS QB 1 17 GLU H . . 3.510 3.467 3.365 3.519 0.009 9 0 "[ . 1 . 2]" 2
40 1 17 GLU H 1 17 GLU HG2 . . 3.500 2.248 2.186 2.283 . 0 0 "[ . 1 . 2]" 2
41 1 17 GLU H 1 17 GLU QB . . 3.010 2.631 2.585 2.661 . 0 0 "[ . 1 . 2]" 2
42 1 14 GLN HE21 1 19 GLY HA3 . . 4.050 2.794 2.551 2.958 . 0 0 "[ . 1 . 2]" 2
43 1 14 GLN HE22 1 19 GLY HA3 . . 4.180 4.087 3.834 4.191 0.011 12 0 "[ . 1 . 2]" 2
44 1 14 GLN HE21 1 19 GLY HA2 . . 4.130 2.459 2.293 2.669 . 0 0 "[ . 1 . 2]" 2
45 1 14 GLN HE22 1 19 GLY HA2 . . 4.480 3.894 3.724 4.088 . 0 0 "[ . 1 . 2]" 2
46 1 14 GLN HE21 1 14 GLN HG3 . . 3.470 2.340 2.260 2.436 . 0 0 "[ . 1 . 2]" 2
47 1 14 GLN HE22 1 14 GLN HG3 . . 3.630 3.525 3.494 3.565 . 0 0 "[ . 1 . 2]" 2
48 1 14 GLN HA 1 14 GLN HE21 . . 4.920 4.855 4.750 4.922 0.002 15 0 "[ . 1 . 2]" 2
49 1 21 ASN H 1 21 ASN HD21 . . 4.280 3.549 2.617 4.189 . 0 0 "[ . 1 . 2]" 2
50 1 21 ASN HA 1 21 ASN HD21 . . 4.750 4.144 3.748 4.591 . 0 0 "[ . 1 . 2]" 2
51 1 11 LYS QD 1 21 ASN HD21 . . 5.500 3.839 1.936 5.504 0.004 12 0 "[ . 1 . 2]" 2
52 1 35 HIS HB2 1 36 GLU H . . 4.030 2.904 2.854 3.021 . 0 0 "[ . 1 . 2]" 2
53 1 36 GLU H 1 37 ARG H . . 4.270 2.542 2.476 2.582 . 0 0 "[ . 1 . 2]" 2
54 1 35 HIS HB3 1 36 GLU H . . 4.380 3.973 3.866 4.081 . 0 0 "[ . 1 . 2]" 2
55 1 36 GLU H 1 36 GLU HG2 . . 3.980 2.685 1.909 2.777 . 0 0 "[ . 1 . 2]" 2
56 1 36 GLU H 1 36 GLU HG3 . . 3.980 3.734 3.487 3.869 . 0 0 "[ . 1 . 2]" 2
57 1 36 GLU H 1 36 GLU QB . . 3.060 2.264 2.212 2.705 . 0 0 "[ . 1 . 2]" 2
58 1 10 GLU H 1 10 GLU QG . . 4.150 2.983 2.128 4.155 0.005 11 0 "[ . 1 . 2]" 2
59 1 15 CYS H 1 20 MET H . . 4.210 3.654 3.277 3.987 . 0 0 "[ . 1 . 2]" 2
60 1 15 CYS H 1 22 PHE QD . . 4.810 3.992 3.780 4.263 . 0 0 "[ . 1 . 2]" 2
61 1 15 CYS H 1 22 PHE QE . . 4.210 4.039 3.715 4.213 0.003 12 0 "[ . 1 . 2]" 2
62 1 14 GLN HA 1 15 CYS H . . 3.160 2.337 2.296 2.405 . 0 0 "[ . 1 . 2]" 2
63 1 15 CYS H 1 19 GLY HA3 . . 4.910 4.693 4.560 4.789 . 0 0 "[ . 1 . 2]" 2
64 1 15 CYS H 1 15 CYS HB2 . . 3.420 2.473 2.409 2.534 . 0 0 "[ . 1 . 2]" 2
65 1 14 GLN HG2 1 15 CYS H . . 3.870 2.455 2.174 2.758 . 0 0 "[ . 1 . 2]" 2
66 1 14 GLN HG3 1 15 CYS H . . 3.580 2.159 1.984 2.326 . 0 0 "[ . 1 . 2]" 2
67 1 15 CYS H 1 28 LEU MD1 . . 4.000 3.494 3.182 3.676 . 0 0 "[ . 1 . 2]" 2
68 1 20 MET HA 1 21 ASN H . . 2.780 2.162 2.156 2.170 . 0 0 "[ . 1 . 2]" 2
69 1 21 ASN H 1 21 ASN HB3 . . 3.690 2.916 2.658 3.706 0.016 12 0 "[ . 1 . 2]" 2
70 1 20 MET ME 1 21 ASN H . . 4.000 3.887 3.639 4.003 0.003 20 0 "[ . 1 . 2]" 2
71 1 30 LYS HG2 1 31 HIS H . . 4.780 4.572 4.464 4.688 . 0 0 "[ . 1 . 2]" 2
72 1 20 MET HB2 1 21 ASN H . . 4.400 4.358 4.332 4.375 . 0 0 "[ . 1 . 2]" 2
73 1 28 LEU MD1 1 31 HIS H . . 4.270 3.852 3.735 3.990 . 0 0 "[ . 1 . 2]" 2
74 1 31 HIS H 1 32 LEU H . . 3.620 2.289 2.227 2.372 . 0 0 "[ . 1 . 2]" 2
75 1 22 PHE QE 1 31 HIS H . . 4.810 4.616 4.477 4.802 . 0 0 "[ . 1 . 2]" 2
76 1 21 ASN H 1 21 ASN HD22 . . 4.620 3.800 3.441 4.242 . 0 0 "[ . 1 . 2]" 2
77 1 22 PHE HZ 1 31 HIS H . . 5.170 4.835 4.638 5.132 . 0 0 "[ . 1 . 2]" 2
78 1 31 HIS H 1 31 HIS HB2 . . 3.190 2.949 2.891 3.037 . 0 0 "[ . 1 . 2]" 2
79 1 31 HIS H 1 31 HIS HB3 . . 3.240 2.347 2.330 2.369 . 0 0 "[ . 1 . 2]" 2
80 1 30 LYS QB 1 31 HIS H . . 3.390 2.876 2.780 2.994 . 0 0 "[ . 1 . 2]" 2
81 1 41 SER QB 1 42 GLY H . . 4.340 3.277 2.260 3.996 . 0 0 "[ . 1 . 2]" 2
82 1 33 ARG HA 1 35 HIS H . . 4.270 3.446 3.301 3.542 . 0 0 "[ . 1 . 2]" 2
83 1 34 SER H 1 35 HIS H . . 3.270 2.766 2.622 2.862 . 0 0 "[ . 1 . 2]" 2
84 1 35 HIS H 1 36 GLU H . . 3.230 2.057 1.774 2.153 . 0 0 "[ . 1 . 2]" 2
85 1 35 HIS H 1 35 HIS HD2 . . 3.910 2.789 2.569 3.079 . 0 0 "[ . 1 . 2]" 2
86 1 32 LEU HA 1 35 HIS H . . 3.940 3.862 3.819 3.957 0.017 7 0 "[ . 1 . 2]" 2
87 1 35 HIS H 1 35 HIS HB3 . . 3.790 3.710 3.681 3.832 0.042 7 0 "[ . 1 . 2]" 2
88 1 35 HIS H 1 35 HIS HB2 . . 3.200 2.599 2.520 2.771 . 0 0 "[ . 1 . 2]" 2
89 1 17 GLU QB 1 35 HIS H . . 5.350 5.113 4.915 5.241 . 0 0 "[ . 1 . 2]" 2
90 1 32 LEU MD2 1 35 HIS H . . 4.890 4.664 4.548 4.797 . 0 0 "[ . 1 . 2]" 2
91 1 35 HIS H 1 36 GLU QB . . 4.170 3.980 3.893 4.166 . 0 0 "[ . 1 . 2]" 2
92 1 17 GLU HG3 1 35 HIS H . . 4.560 4.410 4.105 4.563 0.003 20 0 "[ . 1 . 2]" 2
93 1 13 PHE H 1 14 GLN H . . 4.760 4.538 4.474 4.583 . 0 0 "[ . 1 . 2]" 2
94 1 29 PHE H 1 30 LYS H . . 4.040 2.904 2.780 2.959 . 0 0 "[ . 1 . 2]" 2
95 1 13 PHE H 1 13 PHE QD . . 3.550 2.507 2.356 2.698 . 0 0 "[ . 1 . 2]" 2
96 1 11 LYS HA 1 13 PHE H . . 4.560 4.166 3.556 4.411 . 0 0 "[ . 1 . 2]" 2
97 1 13 PHE H 1 23 SER HA . . 4.970 4.195 3.842 4.465 . 0 0 "[ . 1 . 2]" 2
98 1 12 PRO HD2 1 13 PHE H . . 3.830 2.724 2.646 2.767 . 0 0 "[ . 1 . 2]" 2
99 1 29 PHE HB3 1 30 LYS H . . 3.900 2.471 2.332 2.661 . 0 0 "[ . 1 . 2]" 2
100 1 29 PHE HB2 1 30 LYS H . . 4.010 3.586 3.489 3.687 . 0 0 "[ . 1 . 2]" 2
101 1 13 PHE H 1 13 PHE HB3 . . 3.850 3.699 3.597 3.765 . 0 0 "[ . 1 . 2]" 2
102 1 13 PHE H 1 13 PHE HB2 . . 3.510 2.576 2.344 2.665 . 0 0 "[ . 1 . 2]" 2
103 1 30 LYS H 1 31 HIS HB3 . . 4.880 4.844 4.776 4.881 0.001 19 0 "[ . 1 . 2]" 2
104 1 12 PRO HB2 1 13 PHE H . . 4.100 2.984 2.874 3.308 . 0 0 "[ . 1 . 2]" 2
105 1 12 PRO HG3 1 13 PHE H . . 4.400 3.604 3.527 3.857 . 0 0 "[ . 1 . 2]" 2
106 1 12 PRO HB3 1 13 PHE H . . 4.100 3.938 3.875 4.126 0.026 16 0 "[ . 1 . 2]" 2
107 1 13 PHE H 1 28 LEU MD2 . . 5.500 5.328 5.118 5.460 . 0 0 "[ . 1 . 2]" 2
108 1 12 PRO HG2 1 13 PHE H . . 4.400 1.999 1.899 2.338 . 0 0 "[ . 1 . 2]" 2
109 1 30 LYS H 1 30 LYS HG3 . . 4.300 4.165 4.085 4.294 . 0 0 "[ . 1 . 2]" 2
110 1 30 LYS H 1 30 LYS HG2 . . 4.830 4.572 4.523 4.625 . 0 0 "[ . 1 . 2]" 2
111 1 29 PHE H 1 29 PHE QD . . 4.300 3.962 3.907 4.032 . 0 0 "[ . 1 . 2]" 2
112 1 29 PHE H 1 29 PHE HB2 . . 3.610 2.231 2.191 2.273 . 0 0 "[ . 1 . 2]" 2
113 1 28 LEU HB3 1 29 PHE H . . 3.970 2.497 2.423 2.633 . 0 0 "[ . 1 . 2]" 2
114 1 28 LEU HG 1 29 PHE H . . 4.660 3.163 2.999 3.292 . 0 0 "[ . 1 . 2]" 2
115 1 28 LEU MD2 1 29 PHE H . . 4.970 4.082 3.934 4.202 . 0 0 "[ . 1 . 2]" 2
116 1 28 LEU MD1 1 29 PHE H . . 5.500 4.080 4.022 4.172 . 0 0 "[ . 1 . 2]" 2
117 1 29 PHE H 1 32 LEU MD1 . . 5.410 3.757 3.552 4.062 . 0 0 "[ . 1 . 2]" 2
118 1 32 LEU MD1 1 33 ARG H . . 5.100 4.625 4.565 4.731 . 0 0 "[ . 1 . 2]" 2
119 1 29 PHE HA 1 33 ARG H . . 4.850 4.161 3.985 4.315 . 0 0 "[ . 1 . 2]" 2
120 1 32 LEU H 1 33 ARG H . . 3.670 2.810 2.725 2.868 . 0 0 "[ . 1 . 2]" 2
121 1 31 HIS H 1 33 ARG H . . 4.420 3.952 3.810 4.098 . 0 0 "[ . 1 . 2]" 2
122 1 33 ARG H 1 33 ARG QD . . 4.040 3.965 3.894 4.030 . 0 0 "[ . 1 . 2]" 2
123 1 33 ARG H 1 33 ARG HB3 . . 3.050 2.466 2.408 2.524 . 0 0 "[ . 1 . 2]" 2
124 1 32 LEU MD2 1 33 ARG H . . 4.970 4.685 4.621 4.778 . 0 0 "[ . 1 . 2]" 2
125 1 22 PHE H 1 22 PHE QD . . 3.670 2.847 2.555 3.090 . 0 0 "[ . 1 . 2]" 2
126 1 14 GLN HA 1 22 PHE H . . 4.080 3.259 3.028 3.458 . 0 0 "[ . 1 . 2]" 2
127 1 13 PHE HB2 1 22 PHE H . . 4.360 3.295 3.088 3.513 . 0 0 "[ . 1 . 2]" 2
128 1 22 PHE H 1 22 PHE HB2 . . 3.960 2.834 2.736 2.941 . 0 0 "[ . 1 . 2]" 2
129 1 15 CYS H 1 22 PHE H . . 5.490 5.085 4.863 5.180 . 0 0 "[ . 1 . 2]" 2
130 1 13 PHE H 1 22 PHE H . . 4.050 3.926 3.414 4.053 0.003 3 0 "[ . 1 . 2]" 2
131 1 22 PHE H 1 22 PHE HB3 . . 4.110 3.889 3.835 3.948 . 0 0 "[ . 1 . 2]" 2
132 1 13 PHE HB3 1 22 PHE H . . 4.600 4.400 3.892 4.597 . 0 0 "[ . 1 . 2]" 2
133 1 21 ASN HB2 1 22 PHE H . . 4.200 2.786 2.498 3.829 . 0 0 "[ . 1 . 2]" 2
134 1 38 THR HA 1 39 ASP H . . 3.260 2.201 2.141 2.282 . 0 0 "[ . 1 . 2]" 2
135 1 39 ASP H 1 39 ASP HB2 . . 3.830 2.770 2.160 3.651 . 0 0 "[ . 1 . 2]" 2
136 1 39 ASP H 1 39 ASP HB3 . . 3.830 3.167 2.160 3.824 . 0 0 "[ . 1 . 2]" 2
137 1 37 ARG HB2 1 38 THR H . . 4.840 3.882 2.878 4.577 . 0 0 "[ . 1 . 2]" 2
138 1 28 LEU H 1 29 PHE H . . 4.010 2.915 2.771 3.027 . 0 0 "[ . 1 . 2]" 2
139 1 41 SER H 1 42 GLY H . . 4.600 3.991 2.132 4.550 . 0 0 "[ . 1 . 2]" 2
140 1 28 LEU H 1 28 LEU HB3 . . 3.690 2.366 2.237 2.449 . 0 0 "[ . 1 . 2]" 2
141 1 37 ARG QG 1 38 THR H . . 4.680 2.943 1.869 3.754 . 0 0 "[ . 1 . 2]" 2
142 1 28 LEU H 1 28 LEU HB2 . . 3.840 2.665 2.602 2.807 . 0 0 "[ . 1 . 2]" 2
143 1 28 LEU H 1 28 LEU MD2 . . 4.660 4.185 4.120 4.248 . 0 0 "[ . 1 . 2]" 2
144 1 28 LEU H 1 28 LEU MD1 . . 4.990 4.150 4.079 4.252 . 0 0 "[ . 1 . 2]" 2
145 1 40 PRO HA 1 41 SER H . . 3.370 2.628 2.153 3.412 0.042 20 0 "[ . 1 . 2]" 2
146 1 41 SER H 1 41 SER QB . . 3.670 2.673 2.223 3.294 . 0 0 "[ . 1 . 2]" 2
147 1 40 PRO QG 1 41 SER H . . 5.360 4.059 2.895 4.753 . 0 0 "[ . 1 . 2]" 2
148 1 38 THR H 1 38 THR HB . . 3.400 2.727 2.504 3.020 . 0 0 "[ . 1 . 2]" 2
149 1 18 CYS H 1 19 GLY HA2 . . 4.300 4.219 4.134 4.283 . 0 0 "[ . 1 . 2]" 2
150 1 18 CYS H 1 18 CYS HB3 . . 3.570 3.099 3.051 3.166 . 0 0 "[ . 1 . 2]" 2
151 1 16 LYS H 1 16 LYS QD . . 4.550 3.005 1.893 3.734 . 0 0 "[ . 1 . 2]" 2
152 1 16 LYS H 1 32 LEU MD2 . . 4.800 2.753 2.324 3.188 . 0 0 "[ . 1 . 2]" 2
153 1 18 CYS H 1 20 MET H . . 3.960 3.357 3.292 3.490 . 0 0 "[ . 1 . 2]" 2
154 1 15 CYS HA 1 16 LYS H . . 3.550 2.160 2.139 2.224 . 0 0 "[ . 1 . 2]" 2
155 1 15 CYS HB3 1 18 CYS H . . 3.560 2.731 2.453 2.978 . 0 0 "[ . 1 . 2]" 2
156 1 16 LYS H 1 16 LYS QB . . 3.560 2.446 2.340 2.505 . 0 0 "[ . 1 . 2]" 2
157 1 16 LYS H 1 16 LYS QG . . 4.190 2.626 2.090 3.371 . 0 0 "[ . 1 . 2]" 2
158 1 17 GLU QB 1 18 CYS H . . 3.240 2.265 2.152 2.391 . 0 0 "[ . 1 . 2]" 2
159 1 15 CYS H 1 16 LYS H . . 4.730 4.478 4.342 4.581 . 0 0 "[ . 1 . 2]" 2
160 1 13 PHE HB3 1 14 GLN H . . 4.330 2.788 2.586 3.025 . 0 0 "[ . 1 . 2]" 2
161 1 13 PHE HB2 1 14 GLN H . . 4.380 3.817 3.712 4.015 . 0 0 "[ . 1 . 2]" 2
162 1 14 GLN H 1 14 GLN HB3 . . 3.590 2.836 2.746 2.921 . 0 0 "[ . 1 . 2]" 2
163 1 14 GLN H 1 28 LEU MD2 . . 4.060 2.880 2.678 3.103 . 0 0 "[ . 1 . 2]" 2
164 1 14 GLN H 1 15 CYS H . . 4.680 4.391 4.368 4.428 . 0 0 "[ . 1 . 2]" 2
165 1 13 PHE QD 1 14 GLN H . . 4.400 3.999 3.801 4.181 . 0 0 "[ . 1 . 2]" 2
166 1 23 SER HB2 1 24 TRP H . . 5.040 3.608 2.381 4.574 . 0 0 "[ . 1 . 2]" 2
167 1 23 SER HB3 1 24 TRP H . . 5.040 3.512 2.269 4.425 . 0 0 "[ . 1 . 2]" 2
168 1 28 LEU MD1 1 32 LEU H . . 4.190 3.007 2.851 3.105 . 0 0 "[ . 1 . 2]" 2
169 1 22 PHE QD 1 28 LEU MD1 . . 3.360 2.217 2.104 2.439 . 0 0 "[ . 1 . 2]" 2
170 1 28 LEU MD1 1 31 HIS HD2 . . 3.440 3.045 2.840 3.229 . 0 0 "[ . 1 . 2]" 2
171 1 22 PHE QE 1 28 LEU MD1 . . 3.490 2.322 2.167 2.510 . 0 0 "[ . 1 . 2]" 2
172 1 14 GLN HA 1 28 LEU MD1 . . 4.600 3.956 3.758 4.079 . 0 0 "[ . 1 . 2]" 2
173 1 15 CYS HA 1 28 LEU MD1 . . 3.370 2.139 1.974 2.319 . 0 0 "[ . 1 . 2]" 2
174 1 28 LEU MD1 1 29 PHE HA . . 4.110 4.060 3.978 4.103 . 0 0 "[ . 1 . 2]" 2
175 1 28 LEU MD1 1 32 LEU HA . . 4.520 3.745 3.637 3.873 . 0 0 "[ . 1 . 2]" 2
176 1 15 CYS HB2 1 28 LEU MD1 . . 3.680 2.508 2.246 2.712 . 0 0 "[ . 1 . 2]" 2
177 1 28 LEU HA 1 28 LEU MD1 . . 3.150 2.288 2.146 2.451 . 0 0 "[ . 1 . 2]" 2
178 1 28 LEU MD1 1 31 HIS HB3 . . 3.370 2.779 2.618 2.918 . 0 0 "[ . 1 . 2]" 2
179 1 22 PHE HB2 1 28 LEU MD1 . . 4.570 3.588 3.447 3.826 . 0 0 "[ . 1 . 2]" 2
180 1 28 LEU MD1 1 32 LEU HG . . 3.390 2.091 1.964 2.202 . 0 0 "[ . 1 . 2]" 2
181 1 28 LEU HB3 1 28 LEU MD1 . . 3.570 3.188 3.182 3.194 . 0 0 "[ . 1 . 2]" 2
182 1 28 LEU MD1 1 32 LEU HB3 . . 4.720 4.620 4.547 4.685 . 0 0 "[ . 1 . 2]" 2
183 1 28 LEU MD1 1 32 LEU MD2 . . 3.250 3.040 2.865 3.181 . 0 0 "[ . 1 . 2]" 2
184 1 20 MET H 1 28 LEU MD1 . . 4.990 4.952 4.850 4.995 0.005 2 0 "[ . 1 . 2]" 2
185 1 14 GLN HG2 1 19 GLY HA3 . . 4.550 4.325 4.045 4.542 . 0 0 "[ . 1 . 2]" 2
186 1 18 CYS H 1 19 GLY HA3 . . 4.810 4.636 4.570 4.686 . 0 0 "[ . 1 . 2]" 2
187 1 14 GLN HA 1 19 GLY HA2 . . 5.500 5.255 4.962 5.374 . 0 0 "[ . 1 . 2]" 2
188 1 18 CYS HA 1 19 GLY HA2 . . 5.500 5.052 5.026 5.079 . 0 0 "[ . 1 . 2]" 2
189 1 14 GLN HG3 1 19 GLY HA2 . . 3.850 3.158 2.946 3.269 . 0 0 "[ . 1 . 2]" 2
190 1 38 THR MG 1 39 ASP HB3 . . 5.000 4.601 3.965 4.969 . 0 0 "[ . 1 . 2]" 2
191 1 38 THR H 1 38 THR MG . . 4.310 3.851 3.764 3.984 . 0 0 "[ . 1 . 2]" 2
192 1 38 THR MG 1 40 PRO HA . . 4.300 4.199 4.090 4.301 0.001 9 0 "[ . 1 . 2]" 2
193 1 38 THR MG 1 39 ASP HB2 . . 5.000 4.366 3.708 5.001 0.001 12 0 "[ . 1 . 2]" 2
194 1 38 THR MG 1 39 ASP H . . 4.480 2.313 1.983 2.839 . 0 0 "[ . 1 . 2]" 2
195 1 8 THR H 1 8 THR MG . . 4.540 2.229 1.876 2.986 . 0 0 "[ . 1 . 2]" 2
196 1 38 THR HA 1 38 THR MG . . 2.980 2.383 2.284 2.467 . 0 0 "[ . 1 . 2]" 2
197 1 7 GLY QA 1 8 THR MG . . 3.930 3.629 3.451 3.930 0.000 6 0 "[ . 1 . 2]" 2
198 1 22 PHE QE 1 31 HIS HE1 . . 4.900 4.869 4.801 4.901 0.001 17 0 "[ . 1 . 2]" 2
199 1 20 MET HG2 1 31 HIS HE1 . . 4.790 3.802 3.635 4.256 . 0 0 "[ . 1 . 2]" 2
200 1 20 MET HB3 1 31 HIS HE1 . . 4.610 4.271 4.099 4.471 . 0 0 "[ . 1 . 2]" 2
201 1 41 SER HA 1 42 GLY HA2 . . 5.150 4.460 4.306 4.895 . 0 0 "[ . 1 . 2]" 2
202 1 41 SER HA 1 42 GLY HA3 . . 5.150 4.467 4.305 4.891 . 0 0 "[ . 1 . 2]" 2
203 1 17 GLU HA 1 35 HIS HE1 . . 5.090 4.958 4.806 5.094 0.004 7 0 "[ . 1 . 2]" 2
204 1 42 GLY HA2 1 43 PRO QD . . 2.870 2.232 2.053 2.422 . 0 0 "[ . 1 . 2]" 2
205 1 42 GLY HA3 1 43 PRO QD . . 2.870 2.360 2.132 2.621 . 0 0 "[ . 1 . 2]" 2
206 1 42 GLY HA2 1 43 PRO QG . . 4.360 4.149 3.961 4.341 . 0 0 "[ . 1 . 2]" 2
207 1 17 GLU QB 1 35 HIS HE1 . . 3.990 2.743 2.630 2.820 . 0 0 "[ . 1 . 2]" 2
208 1 18 CYS H 1 35 HIS HE1 . . 4.400 3.923 3.727 4.120 . 0 0 "[ . 1 . 2]" 2
209 1 18 CYS HA 1 35 HIS HE1 . . 4.420 4.205 4.032 4.343 . 0 0 "[ . 1 . 2]" 2
210 1 18 CYS HB3 1 35 HIS HE1 . . 3.370 2.375 2.269 2.482 . 0 0 "[ . 1 . 2]" 2
211 1 22 PHE HB3 1 24 TRP H . . 4.150 3.142 2.695 3.485 . 0 0 "[ . 1 . 2]" 2
212 1 22 PHE HB2 1 24 TRP H . . 4.590 4.024 3.040 4.577 . 0 0 "[ . 1 . 2]" 2
213 1 22 PHE HB3 1 27 SER QB . . 3.810 2.611 2.248 3.128 . 0 0 "[ . 1 . 2]" 2
214 1 22 PHE HB2 1 27 SER QB . . 4.220 3.742 3.329 4.225 0.005 10 0 "[ . 1 . 2]" 2
215 1 22 PHE HB2 1 28 LEU HA . . 4.660 3.536 3.361 3.730 . 0 0 "[ . 1 . 2]" 2
216 1 13 PHE HB2 1 22 PHE HB3 . . 4.670 4.371 3.958 4.676 0.006 12 0 "[ . 1 . 2]" 2
217 1 13 PHE HB2 1 22 PHE HB2 . . 3.990 3.015 2.592 3.245 . 0 0 "[ . 1 . 2]" 2
218 1 22 PHE HB3 1 28 LEU HB3 . . 4.800 4.664 4.412 4.803 0.003 10 0 "[ . 1 . 2]" 2
219 1 22 PHE HB3 1 28 LEU HB2 . . 4.630 3.510 3.272 3.783 . 0 0 "[ . 1 . 2]" 2
220 1 22 PHE HB2 1 28 LEU HB2 . . 4.660 2.269 2.066 2.374 . 0 0 "[ . 1 . 2]" 2
221 1 22 PHE HB3 1 28 LEU MD1 . . 4.900 4.613 4.438 4.903 0.003 10 0 "[ . 1 . 2]" 2
222 1 22 PHE HB2 1 28 LEU MD2 . . 4.450 3.750 3.608 4.052 . 0 0 "[ . 1 . 2]" 2
223 1 37 ARG HB2 1 37 ARG QD . . 3.400 2.483 2.056 3.414 0.014 20 0 "[ . 1 . 2]" 2
224 1 33 ARG QD 1 35 HIS H . . 4.430 4.217 4.162 4.422 . 0 0 "[ . 1 . 2]" 2
225 1 37 ARG QD 1 38 THR HA . . 5.210 4.318 2.188 5.212 0.002 19 0 "[ . 1 . 2]" 2
226 1 31 HIS HA 1 33 ARG QD . . 5.260 4.471 3.966 4.891 . 0 0 "[ . 1 . 2]" 2
227 1 33 ARG QD 1 34 SER HA . . 5.500 2.350 2.248 2.763 . 0 0 "[ . 1 . 2]" 2
228 1 30 LYS HA 1 33 ARG QD . . 5.040 5.016 4.938 5.049 0.009 15 0 "[ . 1 . 2]" 2
229 1 33 ARG HB2 1 33 ARG QD . . 3.660 2.398 2.154 2.638 . 0 0 "[ . 1 . 2]" 2
230 1 11 LYS HA 1 11 LYS QE . . 4.160 3.541 2.173 4.167 0.007 12 0 "[ . 1 . 2]" 2
231 1 16 LYS HA 1 16 LYS QE . . 4.680 4.131 3.394 4.691 0.011 15 0 "[ . 1 . 2]" 2
232 1 11 LYS QE 1 12 PRO HD3 . . 5.500 4.957 3.815 5.543 0.043 16 0 "[ . 1 . 2]" 2
233 1 11 LYS QE 1 11 LYS HG3 . . 3.450 2.645 2.082 3.401 . 0 0 "[ . 1 . 2]" 2
234 1 11 LYS QE 1 21 ASN HD21 . . 5.270 4.064 2.299 5.271 0.001 17 0 "[ . 1 . 2]" 2
235 1 27 SER HA 1 30 LYS QE . . 4.420 3.868 3.342 4.417 . 0 0 "[ . 1 . 2]" 2
236 1 30 LYS HA 1 30 LYS QE . . 4.650 4.091 3.449 4.651 0.001 17 0 "[ . 1 . 2]" 2
237 1 16 LYS QB 1 16 LYS QE . . 3.780 3.040 2.101 3.777 . 0 0 "[ . 1 . 2]" 2
238 1 30 LYS QB 1 30 LYS QE . . 3.670 2.188 1.969 2.517 . 0 0 "[ . 1 . 2]" 2
239 1 16 LYS QE 1 16 LYS QG . . 3.030 2.238 2.122 2.437 . 0 0 "[ . 1 . 2]" 2
240 1 30 LYS QE 1 30 LYS HG2 . . 3.560 2.977 2.193 3.488 . 0 0 "[ . 1 . 2]" 2
241 1 21 ASN H 1 21 ASN HB2 . . 3.690 3.602 2.564 3.686 . 0 0 "[ . 1 . 2]" 2
242 1 14 GLN HA 1 21 ASN HB2 . . 4.470 3.996 3.736 4.493 0.023 12 0 "[ . 1 . 2]" 2
243 1 14 GLN HG3 1 21 ASN HB2 . . 4.810 4.741 4.589 4.815 0.005 2 0 "[ . 1 . 2]" 2
244 1 11 LYS HB3 1 21 ASN HB2 . . 4.210 2.411 1.995 3.577 . 0 0 "[ . 1 . 2]" 2
245 1 21 ASN HB3 1 22 PHE H . . 4.200 3.847 2.769 4.120 . 0 0 "[ . 1 . 2]" 2
246 1 32 LEU H 1 32 LEU HB3 . . 3.880 3.518 3.505 3.527 . 0 0 "[ . 1 . 2]" 2
247 1 32 LEU HB2 1 33 ARG H . . 4.200 2.864 2.788 2.991 . 0 0 "[ . 1 . 2]" 2
248 1 32 LEU HB3 1 33 ARG H . . 4.150 3.352 3.258 3.502 . 0 0 "[ . 1 . 2]" 2
249 1 14 GLN HA 1 21 ASN HB3 . . 4.470 3.760 3.457 4.242 . 0 0 "[ . 1 . 2]" 2
250 1 14 GLN HG3 1 21 ASN HB3 . . 4.810 3.611 3.331 4.383 . 0 0 "[ . 1 . 2]" 2
251 1 11 LYS HB2 1 21 ASN HB3 . . 4.210 3.318 2.492 3.885 . 0 0 "[ . 1 . 2]" 2
252 1 11 LYS HB3 1 21 ASN HB3 . . 4.210 3.721 2.154 4.200 . 0 0 "[ . 1 . 2]" 2
253 1 32 LEU HB2 1 32 LEU MD2 . . 3.640 3.171 3.157 3.183 . 0 0 "[ . 1 . 2]" 2
254 1 39 ASP HB2 1 40 PRO HD3 . . 4.940 4.343 1.966 4.919 . 0 0 "[ . 1 . 2]" 2
255 1 20 MET ME 1 31 HIS HE1 . . 3.330 2.858 2.523 3.201 . 0 0 "[ . 1 . 2]" 2
256 1 20 MET ME 1 22 PHE QD . . 4.170 3.921 3.711 4.043 . 0 0 "[ . 1 . 2]" 2
257 1 20 MET ME 1 22 PHE QE . . 3.440 2.750 2.661 2.847 . 0 0 "[ . 1 . 2]" 2
258 1 20 MET ME 1 22 PHE HZ . . 3.550 2.068 1.931 2.260 . 0 0 "[ . 1 . 2]" 2
259 1 20 MET HA 1 20 MET ME . . 3.800 3.722 3.617 3.797 . 0 0 "[ . 1 . 2]" 2
260 1 15 CYS HB2 1 20 MET ME . . 4.940 4.754 4.566 4.913 . 0 0 "[ . 1 . 2]" 2
261 1 20 MET ME 1 31 HIS HB3 . . 4.720 4.325 4.089 4.534 . 0 0 "[ . 1 . 2]" 2
262 1 20 MET ME 1 20 MET HG2 . . 3.510 3.388 3.360 3.397 . 0 0 "[ . 1 . 2]" 2
263 1 20 MET HB3 1 20 MET ME . . 3.210 2.043 1.974 2.203 . 0 0 "[ . 1 . 2]" 2
264 1 20 MET HB2 1 20 MET ME . . 3.310 3.241 3.121 3.310 . 0 0 "[ . 1 . 2]" 2
265 1 28 LEU HB2 1 29 PHE H . . 4.270 3.892 3.844 3.980 . 0 0 "[ . 1 . 2]" 2
266 1 22 PHE QD 1 28 LEU HB2 . . 4.140 2.831 2.372 3.051 . 0 0 "[ . 1 . 2]" 2
267 1 22 PHE QE 1 28 LEU HB2 . . 4.770 4.252 4.015 4.382 . 0 0 "[ . 1 . 2]" 2
268 1 5 SER HA 1 5 SER QB . . 2.700 2.357 2.186 2.454 . 0 0 "[ . 1 . 2]" 2
269 1 28 LEU HB3 1 28 LEU MD2 . . 3.390 2.310 2.197 2.445 . 0 0 "[ . 1 . 2]" 2
270 1 28 LEU HB2 1 28 LEU MD2 . . 3.560 2.329 2.205 2.448 . 0 0 "[ . 1 . 2]" 2
271 1 12 PRO HA 1 13 PHE QD . . 5.220 5.059 4.607 5.226 0.006 18 0 "[ . 1 . 2]" 2
272 1 13 PHE HB3 1 22 PHE HB2 . . 4.150 3.889 3.236 4.154 0.004 12 0 "[ . 1 . 2]" 2
273 1 13 PHE HB2 1 28 LEU HB3 . . 4.850 4.488 4.262 4.791 . 0 0 "[ . 1 . 2]" 2
274 1 13 PHE HB3 1 28 LEU HB3 . . 4.440 3.887 3.653 4.166 . 0 0 "[ . 1 . 2]" 2
275 1 13 PHE HB3 1 28 LEU HG . . 5.250 5.048 4.775 5.202 . 0 0 "[ . 1 . 2]" 2
276 1 13 PHE HB3 1 28 LEU HB2 . . 4.290 3.539 3.109 3.764 . 0 0 "[ . 1 . 2]" 2
277 1 13 PHE HB2 1 28 LEU HB2 . . 4.530 3.732 3.419 3.956 . 0 0 "[ . 1 . 2]" 2
278 1 13 PHE HB2 1 28 LEU MD2 . . 3.670 3.438 3.200 3.643 . 0 0 "[ . 1 . 2]" 2
279 1 34 SER H 1 34 SER HB3 . . 3.780 2.930 2.299 3.593 . 0 0 "[ . 1 . 2]" 2
280 1 34 SER HB3 1 35 HIS H . . 4.120 3.706 3.089 4.133 0.013 18 0 "[ . 1 . 2]" 2
281 1 34 SER HB2 1 35 HIS H . . 4.120 3.799 3.117 4.150 0.030 11 0 "[ . 1 . 2]" 2
282 1 24 TRP H 1 27 SER QB . . 4.300 3.387 2.823 4.154 . 0 0 "[ . 1 . 2]" 2
283 1 22 PHE QD 1 27 SER QB . . 3.460 2.527 2.123 2.854 . 0 0 "[ . 1 . 2]" 2
284 1 27 SER QB 1 28 LEU H . . 3.980 2.392 2.150 3.316 . 0 0 "[ . 1 . 2]" 2
285 1 22 PHE QE 1 27 SER QB . . 4.470 4.081 3.812 4.468 . 0 0 "[ . 1 . 2]" 2
286 1 27 SER QB 1 30 LYS QB . . 4.680 4.346 4.140 4.675 . 0 0 "[ . 1 . 2]" 2
287 1 29 PHE HB2 1 30 LYS QB . . 5.300 5.223 5.146 5.276 . 0 0 "[ . 1 . 2]" 2
288 1 29 PHE HB3 1 32 LEU MD1 . . 4.840 4.721 4.636 4.816 . 0 0 "[ . 1 . 2]" 2
289 1 29 PHE H 1 29 PHE HB3 . . 3.700 2.896 2.832 2.951 . 0 0 "[ . 1 . 2]" 2
290 1 13 PHE HZ 1 25 SER HB2 . . 5.050 3.305 2.186 4.099 . 0 0 "[ . 1 . 2]" 2
291 1 13 PHE HZ 1 25 SER HB3 . . 5.050 2.992 2.133 4.169 . 0 0 "[ . 1 . 2]" 2
292 1 8 THR HA 1 8 THR MG . . 3.140 3.011 2.228 3.192 0.052 16 0 "[ . 1 . 2]" 2
293 1 29 PHE HA 1 31 HIS H . . 4.910 3.893 3.734 4.019 . 0 0 "[ . 1 . 2]" 2
294 1 29 PHE HA 1 32 LEU HB2 . . 3.710 2.175 2.119 2.298 . 0 0 "[ . 1 . 2]" 2
295 1 29 PHE HA 1 32 LEU HB3 . . 4.120 3.756 3.685 3.867 . 0 0 "[ . 1 . 2]" 2
296 1 28 LEU HG 1 29 PHE HA . . 4.280 3.245 3.092 3.315 . 0 0 "[ . 1 . 2]" 2
297 1 29 PHE HA 1 32 LEU MD2 . . 4.880 4.552 4.441 4.661 . 0 0 "[ . 1 . 2]" 2
298 1 29 PHE HA 1 32 LEU MD1 . . 3.410 2.182 2.059 2.389 . 0 0 "[ . 1 . 2]" 2
299 1 29 PHE HA 1 29 PHE QD . . 3.570 2.769 2.205 3.077 . 0 0 "[ . 1 . 2]" 2
300 1 25 SER HA 1 28 LEU H . . 4.720 4.170 3.977 4.375 . 0 0 "[ . 1 . 2]" 2
301 1 25 SER HA 1 28 LEU HB3 . . 4.190 3.838 3.599 4.062 . 0 0 "[ . 1 . 2]" 2
302 1 25 SER HA 1 28 LEU MD2 . . 4.600 4.168 3.780 4.449 . 0 0 "[ . 1 . 2]" 2
303 1 13 PHE HZ 1 25 SER HA . . 5.500 3.944 3.542 4.234 . 0 0 "[ . 1 . 2]" 2
304 1 13 PHE QD 1 25 SER HA . . 4.490 3.212 3.083 3.322 . 0 0 "[ . 1 . 2]" 2
305 1 33 ARG HG3 1 34 SER HA . . 4.630 4.040 3.833 4.237 . 0 0 "[ . 1 . 2]" 2
306 1 25 SER HA 1 28 LEU HB2 . . 4.760 4.600 4.439 4.727 . 0 0 "[ . 1 . 2]" 2
307 1 21 ASN H 1 22 PHE QD . . 4.590 4.375 4.247 4.499 . 0 0 "[ . 1 . 2]" 2
308 1 27 SER HA 1 30 LYS H . . 4.320 3.607 3.420 3.709 . 0 0 "[ . 1 . 2]" 2
309 1 34 SER HA 1 36 GLU H . . 4.470 4.477 4.435 4.500 0.030 15 0 "[ . 1 . 2]" 2
310 1 12 PRO HD2 1 23 SER HA . . 4.110 2.742 2.167 3.275 . 0 0 "[ . 1 . 2]" 2
311 1 13 PHE HB2 1 22 PHE QD . . 4.910 4.381 4.095 4.517 . 0 0 "[ . 1 . 2]" 2
312 1 22 PHE QD 1 28 LEU HB3 . . 4.620 4.409 4.042 4.556 . 0 0 "[ . 1 . 2]" 2
313 1 27 SER HA 1 30 LYS QD . . 4.390 3.973 3.800 4.246 . 0 0 "[ . 1 . 2]" 2
314 1 22 PHE QD 1 27 SER HA . . 5.370 4.788 4.398 5.230 . 0 0 "[ . 1 . 2]" 2
315 1 26 CYS HA 1 29 PHE QD . . 5.500 4.649 4.270 4.959 . 0 0 "[ . 1 . 2]" 2
316 1 26 CYS HA 1 29 PHE HB2 . . 3.750 2.956 2.761 3.159 . 0 0 "[ . 1 . 2]" 2
317 1 20 MET HB2 1 22 PHE QD . . 5.290 4.604 4.469 4.760 . 0 0 "[ . 1 . 2]" 2
318 1 26 CYS HA 1 29 PHE H . . 4.730 3.366 3.180 3.519 . 0 0 "[ . 1 . 2]" 2
319 1 26 CYS HA 1 29 PHE HB3 . . 3.810 3.502 3.262 3.765 . 0 0 "[ . 1 . 2]" 2
320 1 13 PHE QD 1 22 PHE HB2 . . 4.630 4.477 4.117 4.635 0.005 7 0 "[ . 1 . 2]" 2
321 1 12 PRO HG2 1 13 PHE QD . . 4.740 2.013 1.988 2.073 . 0 0 "[ . 1 . 2]" 2
322 1 12 PRO HB3 1 13 PHE QD . . 4.760 4.494 3.903 4.787 0.027 17 0 "[ . 1 . 2]" 2
323 1 13 PHE QD 1 28 LEU MD2 . . 3.710 3.392 2.268 3.613 . 0 0 "[ . 1 . 2]" 2
324 1 13 PHE H 1 13 PHE QE . . 4.670 4.449 4.274 4.626 . 0 0 "[ . 1 . 2]" 2
325 1 13 PHE QD 1 23 SER HA . . 4.600 3.864 3.555 4.605 0.005 2 0 "[ . 1 . 2]" 2
326 1 36 GLU HA 1 36 GLU HG2 . . 4.040 3.835 3.455 3.898 . 0 0 "[ . 1 . 2]" 2
327 1 36 GLU HA 1 36 GLU HG3 . . 4.040 3.556 3.526 3.860 . 0 0 "[ . 1 . 2]" 2
328 1 33 ARG HA 1 36 GLU HG3 . . 3.860 3.700 2.873 3.828 . 0 0 "[ . 1 . 2]" 2
329 1 13 PHE QE 1 25 SER HB2 . . 4.620 3.187 2.698 4.294 . 0 0 "[ . 1 . 2]" 2
330 1 13 PHE QE 1 25 SER HB3 . . 4.620 3.319 2.685 4.273 . 0 0 "[ . 1 . 2]" 2
331 1 13 PHE QE 1 25 SER HA . . 3.970 3.394 3.124 3.596 . 0 0 "[ . 1 . 2]" 2
332 1 12 PRO HB2 1 13 PHE QD . . 4.760 3.197 2.397 3.673 . 0 0 "[ . 1 . 2]" 2
333 1 12 PRO HG3 1 13 PHE QD . . 4.740 3.470 3.287 3.612 . 0 0 "[ . 1 . 2]" 2
334 1 12 PRO HB3 1 13 PHE QE . . 5.040 4.571 3.926 4.919 . 0 0 "[ . 1 . 2]" 2
335 1 29 PHE HA 1 29 PHE QE . . 4.640 4.464 4.251 4.578 . 0 0 "[ . 1 . 2]" 2
336 1 30 LYS HA 1 30 LYS HG2 . . 3.700 2.955 2.766 3.214 . 0 0 "[ . 1 . 2]" 2
337 1 31 HIS HA 1 34 SER H . . 4.340 3.541 3.416 3.764 . 0 0 "[ . 1 . 2]" 2
338 1 31 HIS HA 1 33 ARG H . . 4.260 4.068 3.887 4.166 . 0 0 "[ . 1 . 2]" 2
339 1 29 PHE QD 1 30 LYS HA . . 4.350 3.704 3.307 4.317 . 0 0 "[ . 1 . 2]" 2
340 1 30 LYS HA 1 33 ARG H . . 4.890 4.112 4.047 4.187 . 0 0 "[ . 1 . 2]" 2
341 1 31 HIS HA 1 31 HIS HD2 . . 4.490 4.197 4.147 4.230 . 0 0 "[ . 1 . 2]" 2
342 1 22 PHE QE 1 31 HIS HA . . 5.120 4.965 4.880 5.092 . 0 0 "[ . 1 . 2]" 2
343 1 22 PHE HZ 1 31 HIS HA . . 5.030 4.641 4.484 4.919 . 0 0 "[ . 1 . 2]" 2
344 1 29 PHE HB3 1 30 LYS HA . . 4.010 3.945 3.891 4.009 . 0 0 "[ . 1 . 2]" 2
345 1 15 CYS HA 1 16 LYS QB . . 4.610 4.413 4.321 4.461 . 0 0 "[ . 1 . 2]" 2
346 1 30 LYS QB 1 31 HIS HA . . 4.320 4.073 4.003 4.195 . 0 0 "[ . 1 . 2]" 2
347 1 30 LYS HA 1 30 LYS QD . . 4.120 4.017 3.730 4.114 . 0 0 "[ . 1 . 2]" 2
348 1 30 LYS HA 1 30 LYS HG3 . . 3.680 2.359 2.211 2.513 . 0 0 "[ . 1 . 2]" 2
349 1 15 CYS HA 1 28 LEU MD2 . . 4.350 2.814 2.576 3.113 . 0 0 "[ . 1 . 2]" 2
350 1 28 LEU MD1 1 31 HIS HA . . 5.290 5.173 5.060 5.256 . 0 0 "[ . 1 . 2]" 2
351 1 20 MET H 1 22 PHE QE . . 4.800 4.309 4.050 4.562 . 0 0 "[ . 1 . 2]" 2
352 1 21 ASN H 1 22 PHE QE . . 5.160 4.330 4.134 4.540 . 0 0 "[ . 1 . 2]" 2
353 1 22 PHE QE 1 31 HIS HB2 . . 4.350 2.859 2.765 3.098 . 0 0 "[ . 1 . 2]" 2
354 1 22 PHE QE 1 31 HIS HB3 . . 3.680 3.230 3.151 3.394 . 0 0 "[ . 1 . 2]" 2
355 1 20 MET HG2 1 22 PHE QE . . 4.730 4.679 4.594 4.746 0.016 12 0 "[ . 1 . 2]" 2
356 1 20 MET HB2 1 22 PHE QE . . 3.880 2.503 2.378 2.646 . 0 0 "[ . 1 . 2]" 2
357 1 17 GLU H 1 17 GLU HG3 . . 3.740 3.714 3.603 3.746 0.006 9 0 "[ . 1 . 2]" 2
358 1 17 GLU HG3 1 18 CYS H . . 4.650 4.491 4.377 4.634 . 0 0 "[ . 1 . 2]" 2
359 1 17 GLU HG2 1 35 HIS HD2 . . 4.520 3.840 3.594 4.061 . 0 0 "[ . 1 . 2]" 2
360 1 17 GLU HA 1 17 GLU HG3 . . 3.930 3.860 3.817 3.892 . 0 0 "[ . 1 . 2]" 2
361 1 17 GLU HA 1 17 GLU HG2 . . 3.550 3.236 3.141 3.321 . 0 0 "[ . 1 . 2]" 2
362 1 20 MET HB3 1 22 PHE QE . . 4.150 2.009 1.995 2.045 . 0 0 "[ . 1 . 2]" 2
363 1 17 GLU HG3 1 32 LEU HB3 . . 4.540 4.349 4.068 4.489 . 0 0 "[ . 1 . 2]" 2
364 1 16 LYS QG 1 17 GLU HG2 . . 5.500 5.127 4.839 5.513 0.013 8 0 "[ . 1 . 2]" 2
365 1 17 GLU HG2 1 32 LEU HB3 . . 5.500 4.849 4.520 5.089 . 0 0 "[ . 1 . 2]" 2
366 1 17 GLU HG2 1 18 CYS H . . 4.510 3.809 3.745 3.886 . 0 0 "[ . 1 . 2]" 2
367 1 17 GLU HG2 1 35 HIS HE1 . . 5.500 5.399 5.274 5.482 . 0 0 "[ . 1 . 2]" 2
368 1 17 GLU HG3 1 35 HIS HB3 . . 4.260 3.444 3.158 3.664 . 0 0 "[ . 1 . 2]" 2
369 1 15 CYS HB2 1 17 GLU HG2 . . 5.500 5.311 5.196 5.423 . 0 0 "[ . 1 . 2]" 2
370 1 17 GLU HG2 1 35 HIS HB3 . . 5.500 5.005 4.595 5.261 . 0 0 "[ . 1 . 2]" 2
371 1 17 GLU HG2 1 35 HIS HB2 . . 4.580 4.332 3.967 4.540 . 0 0 "[ . 1 . 2]" 2
372 1 33 ARG HA 1 36 GLU H . . 4.230 2.734 2.665 2.826 . 0 0 "[ . 1 . 2]" 2
373 1 33 ARG HA 1 33 ARG QD . . 3.920 3.733 3.657 3.871 . 0 0 "[ . 1 . 2]" 2
374 1 33 ARG HA 1 36 GLU HG2 . . 3.860 2.101 1.993 2.220 . 0 0 "[ . 1 . 2]" 2
375 1 33 ARG HA 1 36 GLU QB . . 3.610 2.405 2.242 2.636 . 0 0 "[ . 1 . 2]" 2
376 1 32 LEU MD2 1 33 ARG HA . . 5.500 5.292 5.226 5.433 . 0 0 "[ . 1 . 2]" 2
377 1 18 CYS HA 1 19 GLY HA3 . . 5.290 4.500 4.496 4.507 . 0 0 "[ . 1 . 2]" 2
378 1 17 GLU HA 1 18 CYS HB3 . . 5.500 5.317 5.257 5.365 . 0 0 "[ . 1 . 2]" 2
379 1 17 GLU HA 1 35 HIS HB3 . . 5.500 5.314 4.916 5.498 . 0 0 "[ . 1 . 2]" 2
380 1 40 PRO QG 1 41 SER HA . . 5.200 4.789 4.021 5.187 . 0 0 "[ . 1 . 2]" 2
381 1 17 GLU QB 1 18 CYS HA . . 4.660 4.092 4.057 4.139 . 0 0 "[ . 1 . 2]" 2
382 1 15 CYS H 1 16 LYS HA . . 5.370 5.225 5.125 5.313 . 0 0 "[ . 1 . 2]" 2
383 1 16 LYS HA 1 19 GLY H . . 4.480 4.390 4.282 4.479 . 0 0 "[ . 1 . 2]" 2
384 1 17 GLU HA 1 18 CYS HA . . 4.560 4.548 4.544 4.552 . 0 0 "[ . 1 . 2]" 2
385 1 15 CYS HB3 1 16 LYS HA . . 5.020 4.846 4.739 4.934 . 0 0 "[ . 1 . 2]" 2
386 1 14 GLN HG2 1 16 LYS HA . . 4.470 4.196 4.001 4.369 . 0 0 "[ . 1 . 2]" 2
387 1 16 LYS HA 1 16 LYS QB . . 2.610 2.364 2.337 2.410 . 0 0 "[ . 1 . 2]" 2
388 1 16 LYS HA 1 16 LYS QG . . 3.160 2.725 2.277 2.968 . 0 0 "[ . 1 . 2]" 2
389 1 14 GLN H 1 14 GLN HG3 . . 5.020 4.726 4.662 4.799 . 0 0 "[ . 1 . 2]" 2
390 1 14 GLN HE22 1 14 GLN HG2 . . 3.950 3.715 3.663 3.765 . 0 0 "[ . 1 . 2]" 2
391 1 14 GLN HG2 1 21 ASN HA . . 4.900 4.670 4.498 4.857 . 0 0 "[ . 1 . 2]" 2
392 1 14 GLN HA 1 14 GLN HG2 . . 3.730 3.307 3.183 3.429 . 0 0 "[ . 1 . 2]" 2
393 1 14 GLN HA 1 14 GLN HG3 . . 3.900 2.524 2.423 2.612 . 0 0 "[ . 1 . 2]" 2
394 1 14 GLN HG3 1 19 GLY HA3 . . 4.260 4.221 4.027 4.269 0.009 7 0 "[ . 1 . 2]" 2
395 1 14 GLN HG2 1 19 GLY HA2 . . 4.230 2.777 2.487 3.032 . 0 0 "[ . 1 . 2]" 2
396 1 22 PHE HZ 1 31 HIS HB2 . . 4.360 2.512 2.323 2.828 . 0 0 "[ . 1 . 2]" 2
397 1 20 MET HB3 1 22 PHE HZ . . 4.410 2.771 2.513 2.891 . 0 0 "[ . 1 . 2]" 2
398 1 20 MET HB2 1 22 PHE HZ . . 4.090 3.598 3.266 3.779 . 0 0 "[ . 1 . 2]" 2
399 1 22 PHE HZ 1 28 LEU MD1 . . 4.740 3.678 3.568 3.891 . 0 0 "[ . 1 . 2]" 2
400 1 14 GLN H 1 14 GLN HG2 . . 4.580 4.491 4.413 4.581 0.001 20 0 "[ . 1 . 2]" 2
401 1 19 GLY H 1 20 MET HB2 . . 4.670 3.986 3.962 4.001 . 0 0 "[ . 1 . 2]" 2
402 1 22 PHE HZ 1 31 HIS HE1 . . 4.720 3.967 3.854 4.138 . 0 0 "[ . 1 . 2]" 2
403 1 20 MET H 1 20 MET HB2 . . 3.380 2.242 2.185 2.324 . 0 0 "[ . 1 . 2]" 2
404 1 28 LEU HA 1 31 HIS H . . 4.070 3.444 3.363 3.538 . 0 0 "[ . 1 . 2]" 2
405 1 22 PHE QD 1 28 LEU HA . . 4.030 3.150 3.011 3.261 . 0 0 "[ . 1 . 2]" 2
406 1 22 PHE QE 1 28 LEU HA . . 4.350 3.391 3.242 3.581 . 0 0 "[ . 1 . 2]" 2
407 1 28 LEU HA 1 29 PHE HA . . 4.940 4.871 4.849 4.886 . 0 0 "[ . 1 . 2]" 2
408 1 28 LEU HA 1 31 HIS HB3 . . 3.690 2.850 2.720 2.932 . 0 0 "[ . 1 . 2]" 2
409 1 22 PHE HZ 1 31 HIS HB3 . . 4.120 2.683 2.507 2.980 . 0 0 "[ . 1 . 2]" 2
410 1 15 CYS HB3 1 20 MET HB3 . . 4.490 4.215 4.080 4.306 . 0 0 "[ . 1 . 2]" 2
411 1 20 MET HA 1 20 MET HG2 . . 3.380 2.469 2.406 2.524 . 0 0 "[ . 1 . 2]" 2
412 1 28 LEU HA 1 28 LEU HG . . 4.070 3.403 3.384 3.432 . 0 0 "[ . 1 . 2]" 2
413 1 15 CYS H 1 20 MET HB2 . . 4.710 4.138 3.909 4.369 . 0 0 "[ . 1 . 2]" 2
414 1 19 GLY H 1 20 MET HA . . 5.010 4.855 4.823 4.901 . 0 0 "[ . 1 . 2]" 2
415 1 20 MET HB3 1 21 ASN H . . 3.320 3.312 3.258 3.337 0.017 16 0 "[ . 1 . 2]" 2
416 1 20 MET HA 1 22 PHE QE . . 4.460 4.198 4.034 4.296 . 0 0 "[ . 1 . 2]" 2
417 1 19 GLY H 1 20 MET HG2 . . 5.050 4.802 4.717 4.913 . 0 0 "[ . 1 . 2]" 2
418 1 20 MET HG2 1 22 PHE HZ . . 5.170 5.082 4.834 5.170 . 0 0 "[ . 1 . 2]" 2
419 1 11 LYS HB2 1 21 ASN HA . . 4.630 4.453 3.840 4.641 0.011 17 0 "[ . 1 . 2]" 2
420 1 11 LYS HB3 1 12 PRO HD2 . . 4.530 2.829 2.378 3.796 . 0 0 "[ . 1 . 2]" 2
421 1 11 LYS HB2 1 12 PRO HD2 . . 4.530 4.035 2.697 4.597 0.067 16 0 "[ . 1 . 2]" 2
422 1 11 LYS HB3 1 11 LYS QE . . 4.460 3.373 1.980 4.232 . 0 0 "[ . 1 . 2]" 2
423 1 11 LYS HB2 1 11 LYS QE . . 4.460 3.988 3.234 4.442 . 0 0 "[ . 1 . 2]" 2
424 1 11 LYS HB2 1 21 ASN HB2 . . 4.210 2.636 2.090 3.598 . 0 0 "[ . 1 . 2]" 2
425 1 14 GLN HB3 1 15 CYS H . . 4.210 3.764 3.598 3.863 . 0 0 "[ . 1 . 2]" 2
426 1 14 GLN HB2 1 15 CYS H . . 4.240 3.845 3.748 3.940 . 0 0 "[ . 1 . 2]" 2
427 1 20 MET H 1 20 MET HG2 . . 3.500 2.801 2.642 2.972 . 0 0 "[ . 1 . 2]" 2
428 1 20 MET HG3 1 31 HIS HE1 . . 3.710 2.184 2.018 2.577 . 0 0 "[ . 1 . 2]" 2
429 1 35 HIS H 1 36 GLU HA . . 5.030 4.749 4.515 4.831 . 0 0 "[ . 1 . 2]" 2
430 1 20 MET HG3 1 22 PHE QE . . 4.290 4.009 3.909 4.120 . 0 0 "[ . 1 . 2]" 2
431 1 14 GLN HB3 1 14 GLN HE22 . . 4.880 4.802 4.700 4.882 0.002 8 0 "[ . 1 . 2]" 2
432 1 20 MET HG3 1 22 PHE HZ . . 4.490 3.744 3.475 3.908 . 0 0 "[ . 1 . 2]" 2
433 1 14 GLN HB3 1 21 ASN HA . . 4.870 4.803 4.716 4.891 0.021 12 0 "[ . 1 . 2]" 2
434 1 14 GLN HB2 1 21 ASN HA . . 4.840 3.664 3.461 3.907 . 0 0 "[ . 1 . 2]" 2
435 1 20 MET HA 1 20 MET HG3 . . 3.740 3.632 3.613 3.650 . 0 0 "[ . 1 . 2]" 2
436 1 14 GLN HB2 1 21 ASN HB2 . . 5.180 4.445 4.106 5.201 0.021 12 0 "[ . 1 . 2]" 2
437 1 14 GLN HB2 1 21 ASN HB3 . . 5.180 3.945 3.611 4.358 . 0 0 "[ . 1 . 2]" 2
438 1 10 GLU HA 1 10 GLU QG . . 3.460 3.118 2.144 3.446 . 0 0 "[ . 1 . 2]" 2
439 1 10 GLU HA 1 11 LYS QD . . 4.760 4.517 2.721 4.784 0.024 17 0 "[ . 1 . 2]" 2
440 1 18 CYS HB2 1 20 MET H . . 4.250 3.889 3.711 4.007 . 0 0 "[ . 1 . 2]" 2
441 1 18 CYS HB2 1 35 HIS HE1 . . 4.600 4.109 4.009 4.220 . 0 0 "[ . 1 . 2]" 2
442 1 30 LYS H 1 30 LYS QB . . 3.130 2.149 2.122 2.203 . 0 0 "[ . 1 . 2]" 2
443 1 29 PHE QD 1 30 LYS QB . . 4.980 4.719 4.561 4.876 . 0 0 "[ . 1 . 2]" 2
444 1 14 GLN HB2 1 14 GLN HE22 . . 4.520 4.463 4.410 4.518 . 0 0 "[ . 1 . 2]" 2
445 1 18 CYS HB2 1 19 GLY HA3 . . 5.120 4.806 4.766 4.852 . 0 0 "[ . 1 . 2]" 2
446 1 29 PHE HB3 1 30 LYS QB . . 4.280 3.941 3.869 4.018 . 0 0 "[ . 1 . 2]" 2
447 1 30 LYS QB 1 30 LYS QD . . 2.980 2.220 2.149 2.288 . 0 0 "[ . 1 . 2]" 2
448 1 17 GLU QB 1 18 CYS HB3 . . 4.620 3.572 3.544 3.590 . 0 0 "[ . 1 . 2]" 2
449 1 17 GLU QB 1 18 CYS HB2 . . 5.340 4.869 4.851 4.886 . 0 0 "[ . 1 . 2]" 2
450 1 18 CYS HB2 1 20 MET HB2 . . 5.500 5.060 4.953 5.154 . 0 0 "[ . 1 . 2]" 2
451 1 14 GLN HB3 1 28 LEU MD2 . . 4.910 4.683 4.522 4.865 . 0 0 "[ . 1 . 2]" 2
452 1 18 CYS H 1 18 CYS HB2 . . 3.940 3.753 3.728 3.782 . 0 0 "[ . 1 . 2]" 2
453 1 18 CYS HB3 1 19 GLY H . . 4.460 4.159 4.140 4.174 . 0 0 "[ . 1 . 2]" 2
454 1 18 CYS HB2 1 19 GLY H . . 4.520 4.002 3.973 4.044 . 0 0 "[ . 1 . 2]" 2
455 1 27 SER HA 1 30 LYS QB . . 3.480 3.009 2.888 3.146 . 0 0 "[ . 1 . 2]" 2
456 1 11 LYS HA 1 12 PRO HB3 . . 5.500 4.867 4.831 5.066 . 0 0 "[ . 1 . 2]" 2
457 1 12 PRO HB2 1 13 PHE QE . . 5.040 3.411 2.698 3.769 . 0 0 "[ . 1 . 2]" 2
458 1 37 ARG HA 1 37 ARG QD . . 4.050 3.305 1.972 4.115 0.065 15 0 "[ . 1 . 2]" 2
459 1 36 GLU QB 1 37 ARG HA . . 5.070 4.658 4.022 4.876 . 0 0 "[ . 1 . 2]" 2
460 1 16 LYS QB 1 16 LYS QD . . 2.870 2.355 2.147 2.556 . 0 0 "[ . 1 . 2]" 2
461 1 37 ARG HA 1 37 ARG QG . . 3.470 2.811 2.348 3.439 . 0 0 "[ . 1 . 2]" 2
462 1 22 PHE QD 1 24 TRP HD1 . . 4.320 4.111 3.652 4.305 . 0 0 "[ . 1 . 2]" 2
463 1 22 PHE HB3 1 24 TRP HD1 . . 4.850 3.411 2.676 3.813 . 0 0 "[ . 1 . 2]" 2
464 1 31 HIS HD2 1 35 HIS HD2 . . 3.880 3.320 3.222 3.566 . 0 0 "[ . 1 . 2]" 2
465 1 15 CYS HA 1 31 HIS HD2 . . 5.170 4.971 4.850 5.043 . 0 0 "[ . 1 . 2]" 2
466 1 34 SER HA 1 35 HIS HD2 . . 5.500 5.376 5.144 5.501 0.001 14 0 "[ . 1 . 2]" 2
467 1 31 HIS HD2 1 32 LEU HA . . 4.060 2.661 2.565 2.771 . 0 0 "[ . 1 . 2]" 2
468 1 32 LEU HA 1 35 HIS HD2 . . 3.250 2.164 2.021 2.276 . 0 0 "[ . 1 . 2]" 2
469 1 15 CYS HB2 1 31 HIS HD2 . . 3.810 3.772 3.522 3.819 0.009 13 0 "[ . 1 . 2]" 2
470 1 35 HIS HB2 1 35 HIS HD2 . . 3.420 2.808 2.781 2.842 . 0 0 "[ . 1 . 2]" 2
471 1 31 HIS HB3 1 31 HIS HD2 . . 3.420 2.923 2.900 2.940 . 0 0 "[ . 1 . 2]" 2
472 1 31 HIS HD2 1 32 LEU HG . . 4.080 3.504 3.278 3.712 . 0 0 "[ . 1 . 2]" 2
473 1 17 GLU HG3 1 35 HIS HD2 . . 4.010 2.474 2.359 2.593 . 0 0 "[ . 1 . 2]" 2
474 1 32 LEU HB3 1 35 HIS HD2 . . 4.480 4.259 4.115 4.334 . 0 0 "[ . 1 . 2]" 2
475 1 17 GLU QB 1 35 HIS HD2 . . 3.760 3.150 3.032 3.280 . 0 0 "[ . 1 . 2]" 2
476 1 31 HIS HD2 1 32 LEU MD2 . . 3.840 3.663 3.363 3.840 . 0 0 "[ . 1 . 2]" 2
477 1 32 LEU MD2 1 35 HIS HD2 . . 3.200 3.073 2.937 3.197 . 0 0 "[ . 1 . 2]" 2
478 1 31 HIS H 1 31 HIS HD2 . . 4.770 4.645 4.542 4.693 . 0 0 "[ . 1 . 2]" 2
479 1 24 TRP HA 1 24 TRP HD1 . . 4.330 4.269 4.149 4.330 . 0 0 "[ . 1 . 2]" 2
480 1 37 ARG HB3 1 37 ARG QD . . 3.400 2.820 2.032 3.399 . 0 0 "[ . 1 . 2]" 2
481 1 37 ARG HB2 1 37 ARG QG . . 2.610 2.346 2.140 2.479 . 0 0 "[ . 1 . 2]" 2
482 1 37 ARG HB3 1 37 ARG QG . . 2.610 2.271 2.145 2.476 . 0 0 "[ . 1 . 2]" 2
483 1 37 ARG HB3 1 38 THR H . . 4.840 3.475 2.105 4.508 . 0 0 "[ . 1 . 2]" 2
484 1 14 GLN HA 1 21 ASN H . . 4.690 4.630 4.509 4.703 0.013 16 0 "[ . 1 . 2]" 2
485 1 14 GLN HA 1 22 PHE QD . . 4.460 3.443 3.108 3.770 . 0 0 "[ . 1 . 2]" 2
486 1 14 GLN HA 1 15 CYS HA . . 4.650 4.337 4.328 4.348 . 0 0 "[ . 1 . 2]" 2
487 1 14 GLN HA 1 15 CYS HB2 . . 4.360 4.266 4.196 4.349 . 0 0 "[ . 1 . 2]" 2
488 1 14 GLN HA 1 28 LEU MD2 . . 4.800 3.601 3.305 3.870 . 0 0 "[ . 1 . 2]" 2
489 1 15 CYS HB2 1 18 CYS H . . 4.470 4.226 4.109 4.309 . 0 0 "[ . 1 . 2]" 2
490 1 11 LYS HA 1 12 PRO HB2 . . 5.500 5.481 5.441 5.518 0.018 5 0 "[ . 1 . 2]" 2
491 1 15 CYS HB2 1 20 MET HB3 . . 4.140 3.293 3.125 3.494 . 0 0 "[ . 1 . 2]" 2
492 1 15 CYS H 1 15 CYS HB3 . . 3.430 2.743 2.637 2.842 . 0 0 "[ . 1 . 2]" 2
493 1 15 CYS HB2 1 20 MET H . . 3.620 2.963 2.736 3.289 . 0 0 "[ . 1 . 2]" 2
494 1 15 CYS HB3 1 20 MET H . . 3.770 2.021 1.895 2.321 . 0 0 "[ . 1 . 2]" 2
495 1 15 CYS HB3 1 22 PHE QD . . 5.500 5.351 5.233 5.512 0.012 12 0 "[ . 1 . 2]" 2
496 1 15 CYS HB3 1 22 PHE QE . . 4.290 4.020 3.897 4.194 . 0 0 "[ . 1 . 2]" 2
497 1 15 CYS HB2 1 22 PHE QE . . 3.890 2.452 2.274 2.692 . 0 0 "[ . 1 . 2]" 2
498 1 15 CYS HB3 1 19 GLY HA3 . . 4.500 4.135 3.988 4.315 . 0 0 "[ . 1 . 2]" 2
499 1 30 LYS HA 1 33 ARG HB3 . . 4.340 4.004 3.863 4.170 . 0 0 "[ . 1 . 2]" 2
500 1 14 GLN HG3 1 15 CYS HB3 . . 4.800 4.354 4.115 4.541 . 0 0 "[ . 1 . 2]" 2
501 1 15 CYS HB2 1 20 MET HB2 . . 4.190 2.352 2.193 2.629 . 0 0 "[ . 1 . 2]" 2
502 1 15 CYS HB3 1 20 MET HB2 . . 4.170 2.785 2.611 2.987 . 0 0 "[ . 1 . 2]" 2
503 1 15 CYS HB3 1 32 LEU MD2 . . 4.640 4.470 4.348 4.598 . 0 0 "[ . 1 . 2]" 2
504 1 15 CYS HB3 1 28 LEU MD1 . . 3.990 3.761 3.553 3.943 . 0 0 "[ . 1 . 2]" 2
505 1 33 ARG HB2 1 34 SER H . . 4.480 3.855 3.652 4.071 . 0 0 "[ . 1 . 2]" 2
506 1 33 ARG H 1 33 ARG HB2 . . 3.740 3.587 3.578 3.593 . 0 0 "[ . 1 . 2]" 2
507 1 15 CYS HB2 1 19 GLY HA3 . . 5.500 5.511 5.488 5.522 0.022 11 0 "[ . 1 . 2]" 2
508 1 15 CYS HB2 1 19 GLY HA2 . . 4.760 4.536 4.415 4.604 . 0 0 "[ . 1 . 2]" 2
509 1 15 CYS HB2 1 32 LEU MD2 . . 4.590 4.296 4.094 4.464 . 0 0 "[ . 1 . 2]" 2
510 1 33 ARG HB3 1 34 SER H . . 4.140 3.968 3.896 4.155 0.015 7 0 "[ . 1 . 2]" 2
511 1 11 LYS HA 1 11 LYS QD . . 3.800 2.371 1.984 3.568 . 0 0 "[ . 1 . 2]" 2
512 1 11 LYS QD 1 12 PRO HD2 . . 5.360 3.289 2.423 5.271 . 0 0 "[ . 1 . 2]" 2
513 1 11 LYS QD 1 12 PRO HD3 . . 5.500 3.996 3.380 5.532 0.032 17 0 "[ . 1 . 2]" 2
514 1 33 ARG HB3 1 33 ARG QD . . 3.670 3.352 3.203 3.506 . 0 0 "[ . 1 . 2]" 2
515 1 30 LYS H 1 30 LYS QD . . 4.680 4.473 4.261 4.634 . 0 0 "[ . 1 . 2]" 2
516 1 17 GLU QB 1 35 HIS HB3 . . 5.200 3.286 2.992 3.457 . 0 0 "[ . 1 . 2]" 2
517 1 16 LYS QD 1 17 GLU H . . 4.840 4.629 4.194 4.836 . 0 0 "[ . 1 . 2]" 2
518 1 17 GLU HG3 1 35 HIS HB2 . . 4.530 2.637 2.345 2.827 . 0 0 "[ . 1 . 2]" 2
519 1 16 LYS QD 1 16 LYS QG . . 2.500 2.061 2.018 2.092 . 0 0 "[ . 1 . 2]" 2
520 1 30 LYS QD 1 30 LYS HG3 . . 2.800 2.336 2.165 2.474 . 0 0 "[ . 1 . 2]" 2
521 1 35 HIS HB2 1 37 ARG H . . 5.420 5.086 4.924 5.442 0.022 7 0 "[ . 1 . 2]" 2
522 1 15 CYS HA 1 16 LYS QD . . 4.750 4.095 2.810 4.748 . 0 0 "[ . 1 . 2]" 2
523 1 16 LYS HA 1 16 LYS QD . . 3.400 2.517 1.993 3.384 . 0 0 "[ . 1 . 2]" 2
524 1 31 HIS HB2 1 32 LEU H . . 4.320 4.017 3.976 4.069 . 0 0 "[ . 1 . 2]" 2
525 1 22 PHE QD 1 31 HIS HB2 . . 4.850 4.709 4.594 4.822 . 0 0 "[ . 1 . 2]" 2
526 1 22 PHE QD 1 31 HIS HB3 . . 4.750 4.473 4.385 4.565 . 0 0 "[ . 1 . 2]" 2
527 1 30 LYS QB 1 31 HIS HB3 . . 4.560 4.513 4.458 4.566 0.006 15 0 "[ . 1 . 2]" 2
528 1 30 LYS QB 1 31 HIS HB2 . . 4.440 4.102 4.052 4.189 . 0 0 "[ . 1 . 2]" 2
529 1 28 LEU MD1 1 31 HIS HB2 . . 4.340 4.237 4.107 4.335 . 0 0 "[ . 1 . 2]" 2
530 1 15 CYS H 1 21 ASN HA . . 4.000 3.249 3.058 3.461 . 0 0 "[ . 1 . 2]" 2
531 1 21 ASN HA 1 22 PHE H . . 3.190 2.292 2.226 2.374 . 0 0 "[ . 1 . 2]" 2
532 1 21 ASN HA 1 22 PHE QD . . 3.910 2.913 2.682 3.124 . 0 0 "[ . 1 . 2]" 2
533 1 21 ASN HA 1 22 PHE QE . . 4.550 4.247 3.938 4.512 . 0 0 "[ . 1 . 2]" 2
534 1 14 GLN HA 1 21 ASN HA . . 3.340 2.023 1.956 2.115 . 0 0 "[ . 1 . 2]" 2
535 1 20 MET HA 1 21 ASN HA . . 4.580 4.376 4.372 4.383 . 0 0 "[ . 1 . 2]" 2
536 1 15 CYS HB2 1 21 ASN HA . . 4.890 4.566 4.402 4.757 . 0 0 "[ . 1 . 2]" 2
537 1 21 ASN HA 1 22 PHE HB2 . . 4.510 4.457 4.399 4.521 0.011 10 0 "[ . 1 . 2]" 2
538 1 31 HIS HB3 1 32 LEU HG . . 4.660 4.267 4.159 4.325 . 0 0 "[ . 1 . 2]" 2
539 1 14 GLN HG3 1 21 ASN HA . . 3.870 3.238 3.051 3.404 . 0 0 "[ . 1 . 2]" 2
540 1 11 LYS HB3 1 21 ASN HA . . 4.630 4.231 3.766 4.636 0.006 20 0 "[ . 1 . 2]" 2
541 1 22 PHE QD 1 28 LEU HG . . 5.310 4.818 4.549 4.994 . 0 0 "[ . 1 . 2]" 2
542 1 28 LEU HG 1 29 PHE QD . . 5.500 4.713 4.264 5.059 . 0 0 "[ . 1 . 2]" 2
543 1 28 LEU HG 1 32 LEU HG . . 4.010 2.666 2.386 2.812 . 0 0 "[ . 1 . 2]" 2
544 1 37 ARG QG 1 38 THR HA . . 4.210 3.821 3.430 4.265 0.055 19 0 "[ . 1 . 2]" 2
545 1 33 ARG HG2 1 34 SER H . . 4.830 3.802 3.619 4.196 . 0 0 "[ . 1 . 2]" 2
546 1 32 LEU HG 1 33 ARG H . . 4.990 4.824 4.788 4.860 . 0 0 "[ . 1 . 2]" 2
547 1 33 ARG H 1 33 ARG HG2 . . 4.070 3.318 3.265 3.369 . 0 0 "[ . 1 . 2]" 2
548 1 33 ARG H 1 33 ARG HG3 . . 4.070 2.301 2.164 2.421 . 0 0 "[ . 1 . 2]" 2
549 1 31 HIS HA 1 33 ARG HG3 . . 4.650 3.279 3.085 3.446 . 0 0 "[ . 1 . 2]" 2
550 1 29 PHE HA 1 32 LEU HG . . 3.950 3.664 3.478 3.904 . 0 0 "[ . 1 . 2]" 2
551 1 33 ARG HA 1 33 ARG HG3 . . 3.750 3.625 3.613 3.635 . 0 0 "[ . 1 . 2]" 2
552 1 42 GLY HA3 1 43 PRO QG . . 4.360 4.168 3.988 4.379 0.019 20 0 "[ . 1 . 2]" 2
553 1 32 LEU HA 1 32 LEU HG . . 3.080 2.649 2.563 2.755 . 0 0 "[ . 1 . 2]" 2
554 1 39 ASP HB2 1 40 PRO HD2 . . 4.940 3.515 2.289 3.981 . 0 0 "[ . 1 . 2]" 2
555 1 39 ASP HB3 1 40 PRO HD3 . . 4.940 3.791 1.957 4.858 . 0 0 "[ . 1 . 2]" 2
556 1 32 LEU H 1 32 LEU HG . . 3.620 2.826 2.766 2.879 . 0 0 "[ . 1 . 2]" 2
557 1 30 LYS HA 1 33 ARG HG2 . . 5.230 3.173 3.019 3.308 . 0 0 "[ . 1 . 2]" 2
558 1 39 ASP HB3 1 40 PRO HD2 . . 4.940 2.853 2.005 3.892 . 0 0 "[ . 1 . 2]" 2
559 1 33 ARG HB2 1 33 ARG HG2 . . 2.910 2.638 2.631 2.651 . 0 0 "[ . 1 . 2]" 2
560 1 12 PRO HD3 1 13 PHE H . . 4.190 3.862 3.836 3.879 . 0 0 "[ . 1 . 2]" 2
561 1 12 PRO HD2 1 13 PHE QD . . 4.260 3.893 3.356 4.198 . 0 0 "[ . 1 . 2]" 2
562 1 12 PRO HD3 1 13 PHE QD . . 4.940 4.890 4.637 4.945 0.005 12 0 "[ . 1 . 2]" 2
563 1 11 LYS HA 1 12 PRO HD2 . . 3.110 2.095 1.921 2.226 . 0 0 "[ . 1 . 2]" 2
564 1 11 LYS HA 1 12 PRO HD3 . . 2.980 2.307 2.254 2.619 . 0 0 "[ . 1 . 2]" 2
565 1 10 GLU QG 1 12 PRO HD3 . . 5.030 4.280 3.153 5.043 0.013 17 0 "[ . 1 . 2]" 2
566 1 13 PHE HB3 1 28 LEU MD2 . . 3.270 2.278 1.975 2.466 . 0 0 "[ . 1 . 2]" 2
567 1 13 PHE QE 1 28 LEU MD2 . . 5.340 5.089 4.131 5.307 . 0 0 "[ . 1 . 2]" 2
568 1 22 PHE QE 1 28 LEU MD2 . . 4.590 4.416 4.272 4.561 . 0 0 "[ . 1 . 2]" 2
569 1 15 CYS HB2 1 28 LEU MD2 . . 4.250 4.049 3.668 4.251 0.001 11 0 "[ . 1 . 2]" 2
570 1 28 LEU HG 1 32 LEU MD1 . . 3.630 2.081 1.941 2.303 . 0 0 "[ . 1 . 2]" 2
571 1 22 PHE QD 1 28 LEU MD2 . . 4.150 3.468 3.229 3.670 . 0 0 "[ . 1 . 2]" 2
572 1 32 LEU MD1 1 35 HIS HD2 . . 5.420 5.382 5.288 5.423 0.003 11 0 "[ . 1 . 2]" 2
573 1 32 LEU HA 1 32 LEU MD1 . . 3.900 3.818 3.808 3.830 . 0 0 "[ . 1 . 2]" 2
574 1 32 LEU HB2 1 32 LEU MD1 . . 3.240 2.182 2.062 2.333 . 0 0 "[ . 1 . 2]" 2
575 1 32 LEU HB3 1 32 LEU MD1 . . 3.190 2.510 2.361 2.602 . 0 0 "[ . 1 . 2]" 2
576 1 30 LYS HG2 1 31 HIS HA . . 4.680 4.565 4.330 4.681 0.001 9 0 "[ . 1 . 2]" 2
577 1 16 LYS QG 1 17 GLU H . . 4.920 4.490 4.321 4.750 . 0 0 "[ . 1 . 2]" 2
578 1 15 CYS HA 1 16 LYS QG . . 4.640 3.986 3.547 4.643 0.003 15 0 "[ . 1 . 2]" 2
579 1 11 LYS HA 1 11 LYS HG2 . . 4.230 3.119 2.953 3.719 . 0 0 "[ . 1 . 2]" 2
580 1 11 LYS HA 1 11 LYS HG3 . . 4.230 3.785 2.637 4.233 0.003 20 0 "[ . 1 . 2]" 2
581 1 11 LYS QE 1 11 LYS HG2 . . 3.450 2.707 2.123 3.423 . 0 0 "[ . 1 . 2]" 2
582 1 32 LEU HB3 1 32 LEU MD2 . . 3.420 2.254 2.116 2.362 . 0 0 "[ . 1 . 2]" 2
583 1 17 GLU H 1 32 LEU MD2 . . 4.350 3.266 2.949 3.509 . 0 0 "[ . 1 . 2]" 2
584 1 32 LEU H 1 32 LEU MD2 . . 4.050 3.937 3.833 4.025 . 0 0 "[ . 1 . 2]" 2
585 1 15 CYS HA 1 32 LEU MD2 . . 3.830 3.072 2.871 3.305 . 0 0 "[ . 1 . 2]" 2
586 1 32 LEU HA 1 32 LEU MD2 . . 2.960 2.201 1.993 2.393 . 0 0 "[ . 1 . 2]" 2
587 1 32 LEU MD2 1 35 HIS HB3 . . 5.230 4.899 4.773 5.068 . 0 0 "[ . 1 . 2]" 2
588 1 32 LEU MD2 1 35 HIS HB2 . . 3.840 3.704 3.558 3.847 0.007 15 0 "[ . 1 . 2]" 2
589 1 29 PHE QD 1 32 LEU MD1 . . 3.690 2.987 2.272 3.510 . 0 0 "[ . 1 . 2]" 2
590 1 29 PHE HB2 1 32 LEU MD1 . . 4.170 3.844 3.708 4.053 . 0 0 "[ . 1 . 2]" 2
591 1 26 CYS QB 1 29 PHE HB3 . . 4.190 4.045 3.891 4.192 0.002 9 0 "[ . 1 . 2]" 2
592 1 26 CYS QB 1 29 PHE HB2 . . 4.470 4.393 4.156 4.471 0.001 9 0 "[ . 1 . 2]" 2
593 1 10 GLU H 1 10 GLU QB . . 3.520 2.612 2.162 3.209 . 0 0 "[ . 1 . 2]" 2
594 1 10 GLU HA 1 11 LYS QB . . 4.940 4.444 4.243 4.745 . 0 0 "[ . 1 . 2]" 2
595 1 10 GLU HA 1 11 LYS QG . . 3.770 3.394 3.053 3.755 . 0 0 "[ . 1 . 2]" 2
596 1 10 GLU QB 1 12 PRO HD3 . . 5.340 5.063 3.179 5.356 0.016 7 0 "[ . 1 . 2]" 2
597 1 11 LYS H 1 11 LYS QG . . 4.110 2.762 1.908 3.248 . 0 0 "[ . 1 . 2]" 2
598 1 11 LYS HA 1 11 LYS QG . . 3.480 2.948 2.585 3.442 . 0 0 "[ . 1 . 2]" 2
599 1 11 LYS HA 1 12 PRO QB . . 4.720 4.553 4.534 4.672 . 0 0 "[ . 1 . 2]" 2
600 1 11 LYS HA 1 12 PRO QG . . 4.230 3.838 3.769 3.899 . 0 0 "[ . 1 . 2]" 2
601 1 11 LYS QB 1 11 LYS QD . . 3.360 2.354 2.118 2.659 . 0 0 "[ . 1 . 2]" 2
602 1 11 LYS QB 1 11 LYS QE . . 3.900 3.153 1.964 3.810 . 0 0 "[ . 1 . 2]" 2
603 1 11 LYS QB 1 12 PRO HD2 . . 3.880 2.751 2.357 3.618 . 0 0 "[ . 1 . 2]" 2
604 1 11 LYS QB 1 21 ASN HA . . 4.000 3.837 3.610 4.001 0.001 10 0 "[ . 1 . 2]" 2
605 1 11 LYS QB 1 21 ASN QB . . 3.030 2.108 1.925 2.319 . 0 0 "[ . 1 . 2]" 2
606 1 11 LYS QB 1 21 ASN HD21 . . 5.340 3.761 2.957 4.665 . 0 0 "[ . 1 . 2]" 2
607 1 11 LYS QB 1 21 ASN HD22 . . 5.270 4.656 3.836 5.264 . 0 0 "[ . 1 . 2]" 2
608 1 11 LYS QB 1 22 PHE H . . 4.530 3.222 2.768 3.493 . 0 0 "[ . 1 . 2]" 2
609 1 11 LYS QE 1 11 LYS QG . . 2.880 2.204 2.058 2.414 . 0 0 "[ . 1 . 2]" 2
610 1 11 LYS QG 1 12 PRO HD2 . . 5.330 4.288 3.998 4.793 . 0 0 "[ . 1 . 2]" 2
611 1 11 LYS QG 1 12 PRO HD3 . . 5.340 4.938 4.788 5.142 . 0 0 "[ . 1 . 2]" 2
612 1 11 LYS QG 1 21 ASN QB . . 3.930 2.070 1.878 2.781 . 0 0 "[ . 1 . 2]" 2
613 1 11 LYS QD 1 21 ASN QB . . 3.760 3.214 2.315 3.762 0.002 1 0 "[ . 1 . 2]" 2
614 1 12 PRO QB 1 13 PHE QE . . 4.290 3.320 2.653 3.655 . 0 0 "[ . 1 . 2]" 2
615 1 12 PRO QB 1 23 SER HA . . 5.340 5.055 4.117 5.336 . 0 0 "[ . 1 . 2]" 2
616 1 12 PRO QG 1 13 PHE H . . 3.710 1.989 1.892 2.319 . 0 0 "[ . 1 . 2]" 2
617 1 12 PRO QG 1 13 PHE QD . . 3.930 2.000 1.978 2.060 . 0 0 "[ . 1 . 2]" 2
618 1 12 PRO QG 1 13 PHE QE . . 4.200 3.076 2.615 3.632 . 0 0 "[ . 1 . 2]" 2
619 1 12 PRO QG 1 23 SER HA . . 3.930 3.102 2.194 3.453 . 0 0 "[ . 1 . 2]" 2
620 1 13 PHE QD 1 25 SER QB . . 4.280 3.781 3.442 4.146 . 0 0 "[ . 1 . 2]" 2
621 1 13 PHE QE 1 25 SER QB . . 4.050 2.726 2.523 3.070 . 0 0 "[ . 1 . 2]" 2
622 1 14 GLN HB2 1 21 ASN QB . . 4.420 3.676 3.421 3.913 . 0 0 "[ . 1 . 2]" 2
623 1 14 GLN HG3 1 21 ASN QB . . 4.030 3.496 3.267 4.042 0.012 12 0 "[ . 1 . 2]" 2
624 1 14 GLN HE21 1 21 ASN QB . . 5.240 4.539 4.209 5.243 0.003 12 0 "[ . 1 . 2]" 2
625 1 20 MET HA 1 21 ASN QB . . 4.560 4.380 4.247 4.494 . 0 0 "[ . 1 . 2]" 2
626 1 21 ASN H 1 21 ASN QB . . 2.900 2.759 2.520 2.901 0.001 7 0 "[ . 1 . 2]" 2
627 1 21 ASN QB 1 21 ASN HD21 . . 3.120 2.261 2.090 2.487 . 0 0 "[ . 1 . 2]" 2
628 1 21 ASN QB 1 21 ASN HD22 . . 3.390 3.285 3.214 3.384 . 0 0 "[ . 1 . 2]" 2
629 1 21 ASN QB 1 22 PHE H . . 3.510 2.682 2.464 2.893 . 0 0 "[ . 1 . 2]" 2
630 1 21 ASN QB 1 22 PHE QD . . 4.780 4.429 4.231 4.650 . 0 0 "[ . 1 . 2]" 2
631 1 23 SER QB 1 24 TRP H . . 4.260 3.046 2.248 3.851 . 0 0 "[ . 1 . 2]" 2
632 1 33 ARG HA 1 36 GLU QG . . 3.340 2.088 1.958 2.206 . 0 0 "[ . 1 . 2]" 2
633 1 33 ARG HB2 1 36 GLU QG . . 4.550 2.668 2.366 4.152 . 0 0 "[ . 1 . 2]" 2
634 1 33 ARG HG3 1 34 SER QB . . 4.710 3.801 3.499 4.312 . 0 0 "[ . 1 . 2]" 2
635 1 34 SER H 1 34 SER QB . . 3.070 2.335 2.190 2.644 . 0 0 "[ . 1 . 2]" 2
636 1 35 HIS H 1 36 GLU QG . . 4.650 4.000 2.928 4.164 . 0 0 "[ . 1 . 2]" 2
637 1 36 GLU H 1 36 GLU QG . . 3.440 2.625 1.901 2.713 . 0 0 "[ . 1 . 2]" 2
638 1 36 GLU HA 1 36 GLU QG . . 3.400 3.271 3.224 3.292 . 0 0 "[ . 1 . 2]" 2
639 1 36 GLU QG 1 37 ARG H . . 4.350 2.445 2.147 3.485 . 0 0 "[ . 1 . 2]" 2
640 1 36 GLU QG 1 37 ARG QB . . 4.740 2.862 2.209 4.766 0.026 7 0 "[ . 1 . 2]" 2
641 1 36 GLU QG 1 37 ARG QG . . 5.070 4.253 3.579 5.024 . 0 0 "[ . 1 . 2]" 2
642 1 37 ARG QB 1 37 ARG QD . . 2.870 2.173 2.001 2.446 . 0 0 "[ . 1 . 2]" 2
643 1 37 ARG QB 1 38 THR H . . 4.020 3.118 2.090 4.000 . 0 0 "[ . 1 . 2]" 2
644 1 37 ARG QB 1 38 THR HA . . 4.840 4.428 3.828 4.910 0.070 19 0 "[ . 1 . 2]" 2
645 1 38 THR HA 1 39 ASP QB . . 4.640 4.258 3.958 4.580 . 0 0 "[ . 1 . 2]" 2
646 1 38 THR MG 1 40 PRO QD . . 4.850 4.136 1.959 4.749 . 0 0 "[ . 1 . 2]" 2
647 1 39 ASP H 1 39 ASP QB . . 3.350 2.451 2.115 2.847 . 0 0 "[ . 1 . 2]" 2
648 1 39 ASP QB 1 40 PRO QD . . 3.250 2.409 1.824 3.227 . 0 0 "[ . 1 . 2]" 2
649 1 41 SER HA 1 42 GLY QA . . 4.530 3.971 3.890 4.229 . 0 0 "[ . 1 . 2]" 2
650 1 42 GLY QA 1 43 PRO QG . . 3.780 3.694 3.683 3.700 . 0 0 "[ . 1 . 2]" 2
stop_
save_
Contact the webmaster for help, if required. Saturday, May 11, 2024 9:56:25 AM GMT (wattos1)