NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
507562 |
2emx   |
10226 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2emx
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 30
_Distance_constraint_stats_list.Viol_total 0.623
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0004
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0010
_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 13 CYS 0.009 0.002 16 0 "[ . 1 . 2]"
1 16 CYS 0.008 0.003 17 0 "[ . 1 . 2]"
1 29 HIS 0.008 0.002 9 0 "[ . 1 . 2]"
1 33 HIS 0.010 0.002 16 0 "[ . 1 . 2]"
2 1 ZN 0.027 0.003 17 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 13 CYS SG 2 1 ZN ZN . 2.330 2.370 2.336 2.328 2.369 0.002 9 0 "[ . 1 . 2]" 1
2 1 16 CYS SG 2 1 ZN ZN . 2.330 2.370 2.334 2.327 2.351 0.003 17 0 "[ . 1 . 2]" 1
3 1 29 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.336 2.328 2.366 0.002 9 0 "[ . 1 . 2]" 1
4 1 33 HIS NE2 2 1 ZN ZN . 2.330 2.370 2.332 2.328 2.339 0.002 9 0 "[ . 1 . 2]" 1
5 1 13 CYS CB 2 1 ZN ZN . 3.250 3.510 3.313 3.250 3.411 . 0 0 "[ . 1 . 2]" 1
6 1 16 CYS CB 2 1 ZN ZN . 3.250 3.510 3.467 3.323 3.512 0.002 17 0 "[ . 1 . 2]" 1
7 1 13 CYS SG 1 16 CYS SG . 3.200 4.000 3.509 3.375 3.711 . 0 0 "[ . 1 . 2]" 1
8 1 13 CYS SG 1 29 HIS NE2 . 3.200 4.000 3.938 3.791 3.999 . 0 0 "[ . 1 . 2]" 1
9 1 13 CYS SG 1 33 HIS NE2 . 3.200 4.000 3.991 3.972 4.002 0.002 16 0 "[ . 1 . 2]" 1
10 1 16 CYS SG 1 29 HIS NE2 . 3.200 4.000 3.298 3.200 3.481 . 0 0 "[ . 1 . 2]" 1
11 1 16 CYS SG 1 33 HIS NE2 . 3.200 4.000 3.961 3.845 4.001 0.001 16 0 "[ . 1 . 2]" 1
12 1 29 HIS NE2 1 33 HIS NE2 . 3.200 4.000 3.952 3.807 4.001 0.001 18 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 494
_Distance_constraint_stats_list.Viol_count 86
_Distance_constraint_stats_list.Viol_total 18.855
_Distance_constraint_stats_list.Viol_max 0.099
_Distance_constraint_stats_list.Viol_rms 0.0019
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0110
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 8 GLU 0.019 0.019 16 0 "[ . 1 . 2]"
1 9 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.027 0.019 16 0 "[ . 1 . 2]"
1 11 PHE 0.037 0.010 17 0 "[ . 1 . 2]"
1 12 GLY 0.021 0.021 17 0 "[ . 1 . 2]"
1 13 CYS 0.018 0.010 17 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.243 0.099 18 0 "[ . 1 . 2]"
1 18 LYS 0.033 0.017 5 0 "[ . 1 . 2]"
1 19 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 PHE 0.033 0.021 17 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 SER 0.008 0.006 12 0 "[ . 1 . 2]"
1 23 LYS 0.096 0.032 17 0 "[ . 1 . 2]"
1 24 SER 0.093 0.029 20 0 "[ . 1 . 2]"
1 25 TYR 0.078 0.029 20 0 "[ . 1 . 2]"
1 26 LEU 0.050 0.021 19 0 "[ . 1 . 2]"
1 27 LEU 0.123 0.028 17 0 "[ . 1 . 2]"
1 28 VAL 0.029 0.013 9 0 "[ . 1 . 2]"
1 29 HIS 0.072 0.013 16 0 "[ . 1 . 2]"
1 30 GLN 0.141 0.029 19 0 "[ . 1 . 2]"
1 31 GLN 0.026 0.013 16 0 "[ . 1 . 2]"
1 32 THR 0.013 0.005 13 0 "[ . 1 . 2]"
1 33 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLU 0.032 0.014 6 0 "[ . 1 . 2]"
1 36 GLU 0.054 0.054 11 0 "[ . 1 . 2]"
1 37 LYS 0.140 0.047 12 0 "[ . 1 . 2]"
1 38 PRO 0.108 0.047 12 0 "[ . 1 . 2]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 13 CYS H 1 20 PHE QD . . 4.980 3.941 3.483 4.278 . 0 0 "[ . 1 . 2]" 2
2 1 13 CYS H 1 19 ALA HA . . 3.670 3.002 2.585 3.197 . 0 0 "[ . 1 . 2]" 2
3 1 12 GLY HA2 1 13 CYS H . . 2.860 2.163 2.139 2.234 . 0 0 "[ . 1 . 2]" 2
4 1 12 GLY HA3 1 13 CYS H . . 3.240 3.135 2.969 3.234 . 0 0 "[ . 1 . 2]" 2
5 1 13 CYS H 1 13 CYS HB3 . . 3.090 2.645 2.499 2.905 . 0 0 "[ . 1 . 2]" 2
6 1 13 CYS H 1 13 CYS HB2 . . 3.120 2.433 2.234 2.601 . 0 0 "[ . 1 . 2]" 2
7 1 13 CYS H 1 26 LEU MD1 . . 3.730 2.859 2.419 3.427 . 0 0 "[ . 1 . 2]" 2
8 1 12 GLY H 1 13 CYS H . . 4.550 4.390 4.269 4.493 . 0 0 "[ . 1 . 2]" 2
9 1 13 CYS H 1 20 PHE H . . 4.860 4.748 4.486 4.865 0.005 17 0 "[ . 1 . 2]" 2
10 1 13 CYS H 1 20 PHE QE . . 4.530 4.021 3.435 4.457 . 0 0 "[ . 1 . 2]" 2
11 1 21 SER HB2 1 22 SER H . . 4.940 3.715 2.526 4.576 . 0 0 "[ . 1 . 2]" 2
12 1 22 SER H 1 23 LYS H . . 4.520 4.441 3.986 4.526 0.006 12 0 "[ . 1 . 2]" 2
13 1 22 SER H 1 25 TYR QD . . 3.910 3.049 2.351 3.851 . 0 0 "[ . 1 . 2]" 2
14 1 21 SER HB3 1 22 SER H . . 4.940 3.142 2.310 4.258 . 0 0 "[ . 1 . 2]" 2
15 1 20 PHE HB3 1 22 SER H . . 3.450 3.043 2.594 3.300 . 0 0 "[ . 1 . 2]" 2
16 1 20 PHE HB2 1 22 SER H . . 4.120 3.817 2.908 4.120 . 12 0 "[ . 1 . 2]" 2
17 1 11 PHE QE 1 23 LYS H . . 4.870 3.853 2.379 4.812 . 0 0 "[ . 1 . 2]" 2
18 1 11 PHE HZ 1 23 LYS H . . 5.420 4.327 3.573 5.206 . 0 0 "[ . 1 . 2]" 2
19 1 22 SER HA 1 23 LYS H . . 3.380 2.256 2.143 2.533 . 0 0 "[ . 1 . 2]" 2
20 1 22 SER HB3 1 23 LYS H . . 4.590 3.553 2.219 4.145 . 0 0 "[ . 1 . 2]" 2
21 1 22 SER HB2 1 23 LYS H . . 4.590 3.935 2.538 4.395 . 0 0 "[ . 1 . 2]" 2
22 1 23 LYS H 1 23 LYS HB3 . . 3.870 2.828 2.404 3.580 . 0 0 "[ . 1 . 2]" 2
23 1 23 LYS H 1 23 LYS HB2 . . 3.870 2.502 2.180 3.589 . 0 0 "[ . 1 . 2]" 2
24 1 12 GLY H 1 20 PHE H . . 5.050 4.927 4.841 5.071 0.021 17 0 "[ . 1 . 2]" 2
25 1 11 PHE HB3 1 12 GLY H . . 4.300 3.563 3.225 3.891 . 0 0 "[ . 1 . 2]" 2
26 1 11 PHE H 1 12 GLY H . . 4.570 4.264 3.964 4.518 . 0 0 "[ . 1 . 2]" 2
27 1 12 GLY H 1 26 LEU MD1 . . 5.500 4.679 4.370 5.154 . 0 0 "[ . 1 . 2]" 2
28 1 12 GLY H 1 26 LEU MD2 . . 4.520 3.601 3.211 4.212 . 0 0 "[ . 1 . 2]" 2
29 1 13 CYS HB3 1 18 LYS H . . 4.360 2.855 2.443 2.997 . 0 0 "[ . 1 . 2]" 2
30 1 16 CYS HB2 1 18 LYS H . . 4.730 3.102 3.011 3.250 . 0 0 "[ . 1 . 2]" 2
31 1 28 VAL MG2 1 31 GLN HE22 . . 5.020 3.747 2.527 5.020 . 0 0 "[ . 1 . 2]" 2
32 1 28 VAL MG1 1 31 GLN HE22 . . 4.860 3.158 2.159 4.835 . 0 0 "[ . 1 . 2]" 2
33 1 17 GLU H 1 18 LYS H . . 3.880 2.718 2.655 2.819 . 0 0 "[ . 1 . 2]" 2
34 1 18 LYS H 1 19 ALA H . . 4.740 4.576 4.546 4.610 . 0 0 "[ . 1 . 2]" 2
35 1 16 CYS HA 1 18 LYS H . . 4.890 4.290 4.209 4.333 . 0 0 "[ . 1 . 2]" 2
36 1 16 CYS HB3 1 18 LYS H . . 4.970 4.265 4.226 4.291 . 0 0 "[ . 1 . 2]" 2
37 1 37 LYS H 1 37 LYS QG . . 4.170 3.165 1.907 4.171 0.001 4 0 "[ . 1 . 2]" 2
38 1 18 LYS H 1 18 LYS HB2 . . 3.370 2.361 2.270 2.482 . 0 0 "[ . 1 . 2]" 2
39 1 13 CYS HB2 1 18 LYS H . . 4.790 3.974 3.477 4.229 . 0 0 "[ . 1 . 2]" 2
40 1 26 LEU MD1 1 30 GLN HE21 . . 4.460 2.148 1.704 2.994 . 0 0 "[ . 1 . 2]" 2
41 1 26 LEU MD2 1 30 GLN HE22 . . 4.770 3.209 2.803 4.079 . 0 0 "[ . 1 . 2]" 2
42 1 34 ALA H 1 35 GLU H . . 3.990 2.686 2.492 2.825 . 0 0 "[ . 1 . 2]" 2
43 1 31 GLN HA 1 34 ALA H . . 4.520 3.263 3.025 3.907 . 0 0 "[ . 1 . 2]" 2
44 1 33 HIS HB3 1 34 ALA H . . 4.970 3.736 3.356 4.052 . 0 0 "[ . 1 . 2]" 2
45 1 33 HIS HB2 1 34 ALA H . . 4.970 2.875 2.632 3.267 . 0 0 "[ . 1 . 2]" 2
46 1 34 ALA H 1 34 ALA MB . . 3.350 2.142 2.029 2.297 . 0 0 "[ . 1 . 2]" 2
47 1 13 CYS HB3 1 15 CYS H . . 4.730 4.001 3.191 4.175 . 0 0 "[ . 1 . 2]" 2
48 1 14 SER H 1 15 CYS H . . 4.540 2.202 2.079 2.588 . 0 0 "[ . 1 . 2]" 2
49 1 36 GLU H 1 37 LYS H . . 3.600 2.911 2.605 3.573 . 0 0 "[ . 1 . 2]" 2
50 1 32 THR H 1 33 HIS H . . 3.370 2.840 2.367 3.069 . 0 0 "[ . 1 . 2]" 2
51 1 29 HIS HA 1 32 THR H . . 4.320 3.770 3.429 4.321 0.001 16 0 "[ . 1 . 2]" 2
52 1 30 GLN HA 1 32 THR H . . 4.400 4.016 3.714 4.308 . 0 0 "[ . 1 . 2]" 2
53 1 31 GLN QB 1 32 THR H . . 3.730 2.598 2.375 3.426 . 0 0 "[ . 1 . 2]" 2
54 1 32 THR H 1 32 THR MG . . 3.190 2.201 1.843 2.385 . 0 0 "[ . 1 . 2]" 2
55 1 26 LEU H 1 26 LEU MD2 . . 4.270 4.187 4.088 4.230 . 0 0 "[ . 1 . 2]" 2
56 1 26 LEU H 1 27 LEU HA . . 5.500 5.364 5.207 5.469 . 0 0 "[ . 1 . 2]" 2
57 1 23 LYS HA 1 26 LEU H . . 3.780 3.363 3.146 3.605 . 0 0 "[ . 1 . 2]" 2
58 1 25 TYR HB2 1 26 LEU H . . 3.920 2.667 2.492 2.856 . 0 0 "[ . 1 . 2]" 2
59 1 25 TYR HB3 1 26 LEU H . . 3.920 3.220 3.037 3.480 . 0 0 "[ . 1 . 2]" 2
60 1 26 LEU H 1 26 LEU HB3 . . 3.070 2.355 2.280 2.457 . 0 0 "[ . 1 . 2]" 2
61 1 26 LEU H 1 27 LEU HB2 . . 5.070 4.840 4.667 5.045 . 0 0 "[ . 1 . 2]" 2
62 1 26 LEU H 1 27 LEU HG . . 5.020 4.685 4.352 5.016 . 0 0 "[ . 1 . 2]" 2
63 1 26 LEU H 1 26 LEU HB2 . . 3.080 2.664 2.553 2.754 . 0 0 "[ . 1 . 2]" 2
64 1 24 SER HA 1 26 LEU H . . 4.900 4.635 4.389 4.903 0.003 12 0 "[ . 1 . 2]" 2
65 1 18 LYS HA 1 19 ALA H . . 2.770 2.400 2.272 2.515 . 0 0 "[ . 1 . 2]" 2
66 1 18 LYS HG2 1 19 ALA H . . 4.980 3.878 3.575 4.472 . 0 0 "[ . 1 . 2]" 2
67 1 18 LYS HB3 1 19 ALA H . . 3.220 2.451 2.185 2.777 . 0 0 "[ . 1 . 2]" 2
68 1 19 ALA H 1 20 PHE H . . 4.690 4.379 4.305 4.439 . 0 0 "[ . 1 . 2]" 2
69 1 9 LYS H 1 10 PRO QD . . 4.610 3.059 2.166 4.302 . 0 0 "[ . 1 . 2]" 2
70 1 29 HIS HD2 1 30 GLN H . . 4.410 3.062 2.585 3.857 . 0 0 "[ . 1 . 2]" 2
71 1 27 LEU HA 1 30 GLN H . . 4.130 3.568 3.357 3.721 . 0 0 "[ . 1 . 2]" 2
72 1 26 LEU HA 1 30 GLN H . . 4.740 4.261 3.947 4.440 . 0 0 "[ . 1 . 2]" 2
73 1 29 HIS HB3 1 30 GLN H . . 3.630 2.629 2.467 2.835 . 0 0 "[ . 1 . 2]" 2
74 1 30 GLN H 1 30 GLN QG . . 3.390 2.561 2.043 3.419 0.029 19 0 "[ . 1 . 2]" 2
75 1 30 GLN H 1 30 GLN HB2 . . 3.410 2.408 2.240 2.792 . 0 0 "[ . 1 . 2]" 2
76 1 30 GLN H 1 30 GLN HB3 . . 3.770 3.565 3.526 3.613 . 0 0 "[ . 1 . 2]" 2
77 1 26 LEU MD1 1 30 GLN H . . 4.620 3.721 3.367 4.167 . 0 0 "[ . 1 . 2]" 2
78 1 24 SER HB3 1 25 TYR H . . 5.080 3.001 2.167 3.608 . 0 0 "[ . 1 . 2]" 2
79 1 25 TYR H 1 25 TYR HB2 . . 3.650 2.248 2.190 2.371 . 0 0 "[ . 1 . 2]" 2
80 1 25 TYR H 1 25 TYR HB3 . . 3.650 3.527 3.497 3.575 . 0 0 "[ . 1 . 2]" 2
81 1 8 GLU H 1 8 GLU QG . . 4.670 3.114 1.901 4.246 . 0 0 "[ . 1 . 2]" 2
82 1 25 TYR H 1 26 LEU HB2 . . 5.470 5.335 5.063 5.468 . 0 0 "[ . 1 . 2]" 2
83 1 26 LEU H 1 27 LEU H . . 3.140 2.792 2.599 2.948 . 0 0 "[ . 1 . 2]" 2
84 1 27 LEU H 1 28 VAL H . . 3.460 2.924 2.799 2.983 . 0 0 "[ . 1 . 2]" 2
85 1 25 TYR HA 1 27 LEU H . . 4.850 4.525 4.250 4.858 0.008 19 0 "[ . 1 . 2]" 2
86 1 23 LYS HA 1 27 LEU H . . 4.230 4.024 3.739 4.209 . 0 0 "[ . 1 . 2]" 2
87 1 27 LEU H 1 29 HIS HB3 . . 5.500 4.816 4.748 4.963 . 0 0 "[ . 1 . 2]" 2
88 1 26 LEU HB3 1 27 LEU H . . 3.350 2.559 2.384 2.802 . 0 0 "[ . 1 . 2]" 2
89 1 27 LEU H 1 27 LEU HB2 . . 2.980 2.440 2.307 2.608 . 0 0 "[ . 1 . 2]" 2
90 1 26 LEU HG 1 27 LEU H . . 3.900 3.347 2.990 3.641 . 0 0 "[ . 1 . 2]" 2
91 1 26 LEU MD2 1 27 LEU H . . 4.600 4.056 3.180 4.394 . 0 0 "[ . 1 . 2]" 2
92 1 27 LEU H 1 28 VAL MG2 . . 5.060 4.395 4.198 4.750 . 0 0 "[ . 1 . 2]" 2
93 1 27 LEU H 1 27 LEU MD1 . . 4.390 3.481 3.124 3.650 . 0 0 "[ . 1 . 2]" 2
94 1 27 LEU H 1 27 LEU MD2 . . 4.390 3.541 3.186 3.736 . 0 0 "[ . 1 . 2]" 2
95 1 15 CYS H 1 16 CYS H . . 3.000 2.543 2.116 2.604 . 0 0 "[ . 1 . 2]" 2
96 1 16 CYS H 1 18 LYS H . . 4.620 4.154 3.912 4.267 . 0 0 "[ . 1 . 2]" 2
97 1 27 LEU H 1 28 VAL HA . . 5.500 5.461 5.370 5.513 0.013 9 0 "[ . 1 . 2]" 2
98 1 16 CYS H 1 16 CYS HB3 . . 3.990 3.023 2.906 3.156 . 0 0 "[ . 1 . 2]" 2
99 1 13 CYS HB2 1 16 CYS H . . 4.300 4.126 3.927 4.181 . 0 0 "[ . 1 . 2]" 2
100 1 15 CYS HB2 1 16 CYS H . . 4.090 3.053 2.566 3.768 . 0 0 "[ . 1 . 2]" 2
101 1 15 CYS HB3 1 16 CYS H . . 4.090 3.099 2.529 3.649 . 0 0 "[ . 1 . 2]" 2
102 1 27 LEU H 1 29 HIS H . . 4.190 4.067 3.947 4.193 0.003 19 0 "[ . 1 . 2]" 2
103 1 27 LEU HA 1 29 HIS H . . 4.800 4.245 3.945 4.429 . 0 0 "[ . 1 . 2]" 2
104 1 26 LEU HA 1 29 HIS H . . 3.930 3.543 3.146 3.651 . 0 0 "[ . 1 . 2]" 2
105 1 28 VAL HB 1 29 HIS H . . 3.320 2.735 2.592 2.932 . 0 0 "[ . 1 . 2]" 2
106 1 26 LEU HG 1 29 HIS H . . 5.500 5.218 4.554 5.445 . 0 0 "[ . 1 . 2]" 2
107 1 27 LEU HB3 1 29 HIS H . . 5.500 5.247 5.013 5.450 . 0 0 "[ . 1 . 2]" 2
108 1 29 HIS H 1 30 GLN H . . 3.400 2.742 2.584 2.880 . 0 0 "[ . 1 . 2]" 2
109 1 29 HIS H 1 29 HIS HB3 . . 2.970 2.223 2.181 2.309 . 0 0 "[ . 1 . 2]" 2
110 1 29 HIS H 1 29 HIS HB2 . . 3.130 2.902 2.801 3.026 . 0 0 "[ . 1 . 2]" 2
111 1 26 LEU MD1 1 29 HIS H . . 4.830 4.523 4.287 4.691 . 0 0 "[ . 1 . 2]" 2
112 1 28 VAL MG2 1 29 HIS H . . 4.130 3.887 3.836 4.043 . 0 0 "[ . 1 . 2]" 2
113 1 28 VAL MG1 1 29 HIS H . . 3.970 3.530 3.363 3.690 . 0 0 "[ . 1 . 2]" 2
114 1 34 ALA MB 1 35 GLU H . . 3.920 2.962 2.596 3.544 . 0 0 "[ . 1 . 2]" 2
115 1 33 HIS H 1 34 ALA H . . 3.600 2.578 2.273 2.702 . 0 0 "[ . 1 . 2]" 2
116 1 28 VAL H 1 30 GLN H . . 4.740 4.509 4.171 4.746 0.006 13 0 "[ . 1 . 2]" 2
117 1 33 HIS H 1 35 GLU H . . 4.500 4.178 3.780 4.485 . 0 0 "[ . 1 . 2]" 2
118 1 25 TYR HA 1 28 VAL H . . 4.030 3.765 3.543 3.924 . 0 0 "[ . 1 . 2]" 2
119 1 31 GLN HA 1 33 HIS H . . 4.530 4.117 3.529 4.387 . 0 0 "[ . 1 . 2]" 2
120 1 32 THR HB 1 33 HIS H . . 4.520 3.790 3.353 4.237 . 0 0 "[ . 1 . 2]" 2
121 1 30 GLN HA 1 33 HIS H . . 4.240 3.454 2.881 3.831 . 0 0 "[ . 1 . 2]" 2
122 1 26 LEU HA 1 28 VAL H . . 4.920 4.805 4.194 4.920 . 8 0 "[ . 1 . 2]" 2
123 1 33 HIS H 1 33 HIS HB3 . . 3.830 3.576 3.503 3.609 . 0 0 "[ . 1 . 2]" 2
124 1 33 HIS H 1 33 HIS HB2 . . 3.830 2.403 2.197 2.618 . 0 0 "[ . 1 . 2]" 2
125 1 28 VAL H 1 29 HIS HB3 . . 4.880 4.717 4.500 4.878 . 0 0 "[ . 1 . 2]" 2
126 1 28 VAL H 1 28 VAL HB . . 3.060 2.579 2.372 2.655 . 0 0 "[ . 1 . 2]" 2
127 1 27 LEU HB2 1 28 VAL H . . 3.670 2.303 2.153 2.669 . 0 0 "[ . 1 . 2]" 2
128 1 27 LEU HB3 1 28 VAL H . . 3.840 3.220 3.071 3.455 . 0 0 "[ . 1 . 2]" 2
129 1 28 VAL H 1 28 VAL MG2 . . 3.090 2.117 1.923 2.570 . 0 0 "[ . 1 . 2]" 2
130 1 28 VAL H 1 28 VAL MG1 . . 3.860 3.764 3.727 3.769 . 0 0 "[ . 1 . 2]" 2
131 1 11 PHE H 1 11 PHE QD . . 3.430 2.617 1.925 3.423 . 0 0 "[ . 1 . 2]" 2
132 1 10 PRO QD 1 11 PHE H . . 3.440 2.894 2.771 2.961 . 0 0 "[ . 1 . 2]" 2
133 1 11 PHE H 1 11 PHE HB2 . . 3.120 2.538 2.361 2.804 . 0 0 "[ . 1 . 2]" 2
134 1 10 PRO HB3 1 11 PHE H . . 4.540 4.476 4.403 4.511 . 0 0 "[ . 1 . 2]" 2
135 1 10 PRO HG2 1 11 PHE H . . 4.710 3.256 3.028 3.370 . 0 0 "[ . 1 . 2]" 2
136 1 9 LYS HB2 1 11 PHE H . . 4.920 4.312 3.547 4.899 . 0 0 "[ . 1 . 2]" 2
137 1 11 PHE H 1 19 ALA MB . . 3.990 3.793 3.627 3.989 . 0 0 "[ . 1 . 2]" 2
138 1 11 PHE H 1 26 LEU MD2 . . 5.290 5.100 4.746 5.296 0.006 12 0 "[ . 1 . 2]" 2
139 1 11 PHE H 1 19 ALA HA . . 5.260 5.042 4.837 5.253 . 0 0 "[ . 1 . 2]" 2
140 1 9 LYS HB3 1 11 PHE H . . 4.920 3.499 2.283 4.665 . 0 0 "[ . 1 . 2]" 2
141 1 30 GLN H 1 31 GLN H . . 3.540 2.857 2.486 2.993 . 0 0 "[ . 1 . 2]" 2
142 1 31 GLN H 1 32 THR H . . 3.370 2.905 2.617 3.051 . 0 0 "[ . 1 . 2]" 2
143 1 29 HIS HA 1 31 GLN H . . 4.650 3.964 3.491 4.314 . 0 0 "[ . 1 . 2]" 2
144 1 31 GLN H 1 31 GLN HG2 . . 4.140 3.222 2.126 3.807 . 0 0 "[ . 1 . 2]" 2
145 1 30 GLN HB2 1 31 GLN H . . 4.260 2.907 2.556 3.279 . 0 0 "[ . 1 . 2]" 2
146 1 31 GLN H 1 31 GLN QB . . 2.970 2.476 2.160 2.613 . 0 0 "[ . 1 . 2]" 2
147 1 31 GLN H 1 32 THR MG . . 4.870 4.205 3.719 4.515 . 0 0 "[ . 1 . 2]" 2
148 1 16 CYS H 1 17 GLU H . . 4.480 4.418 4.406 4.445 . 0 0 "[ . 1 . 2]" 2
149 1 16 CYS HA 1 17 GLU H . . 3.550 2.637 2.581 2.652 . 0 0 "[ . 1 . 2]" 2
150 1 16 CYS HB2 1 17 GLU H . . 3.240 2.016 1.978 2.138 . 0 0 "[ . 1 . 2]" 2
151 1 16 CYS HB3 1 17 GLU H . . 3.640 3.542 3.492 3.639 . 0 0 "[ . 1 . 2]" 2
152 1 17 GLU H 1 17 GLU HG2 . . 4.350 3.359 2.008 4.350 . 14 0 "[ . 1 . 2]" 2
153 1 17 GLU H 1 17 GLU HB2 . . 4.050 2.887 2.237 3.728 . 0 0 "[ . 1 . 2]" 2
154 1 11 PHE H 1 20 PHE H . . 3.820 3.671 3.459 3.803 . 0 0 "[ . 1 . 2]" 2
155 1 20 PHE H 1 20 PHE QD . . 3.190 2.611 2.204 2.851 . 0 0 "[ . 1 . 2]" 2
156 1 19 ALA HA 1 20 PHE H . . 2.930 2.291 2.218 2.506 . 0 0 "[ . 1 . 2]" 2
157 1 12 GLY HA2 1 20 PHE H . . 4.060 3.529 3.327 3.857 . 0 0 "[ . 1 . 2]" 2
158 1 20 PHE H 1 20 PHE HB3 . . 4.110 3.846 3.795 3.947 . 0 0 "[ . 1 . 2]" 2
159 1 11 PHE HB2 1 20 PHE H . . 3.600 2.988 2.598 3.367 . 0 0 "[ . 1 . 2]" 2
160 1 19 ALA MB 1 20 PHE H . . 3.300 2.674 2.320 2.869 . 0 0 "[ . 1 . 2]" 2
161 1 20 PHE H 1 20 PHE QE . . 4.930 4.752 4.459 4.928 . 0 0 "[ . 1 . 2]" 2
162 1 28 VAL H 1 29 HIS H . . 3.180 2.775 2.551 2.851 . 0 0 "[ . 1 . 2]" 2
163 1 13 CYS HB3 1 16 CYS H . . 3.530 2.791 2.459 2.940 . 0 0 "[ . 1 . 2]" 2
164 1 28 VAL MG1 1 31 GLN HE21 . . 4.860 3.357 1.809 4.409 . 0 0 "[ . 1 . 2]" 2
165 1 28 VAL MG1 1 29 HIS HA . . 4.030 3.506 3.297 3.690 . 0 0 "[ . 1 . 2]" 2
166 1 28 VAL MG1 1 31 GLN QB . . 4.720 3.507 3.272 3.858 . 0 0 "[ . 1 . 2]" 2
167 1 32 THR MG 1 33 HIS H . . 4.710 3.061 1.862 3.924 . 0 0 "[ . 1 . 2]" 2
168 1 29 HIS HA 1 32 THR MG . . 3.990 3.267 2.542 3.995 0.005 13 0 "[ . 1 . 2]" 2
169 1 32 THR HA 1 32 THR MG . . 3.280 2.714 2.199 3.205 . 0 0 "[ . 1 . 2]" 2
170 1 31 GLN QB 1 32 THR MG . . 4.350 3.808 3.326 4.353 0.003 13 0 "[ . 1 . 2]" 2
171 1 12 GLY HA2 1 19 ALA HA . . 3.820 2.068 1.988 2.156 . 0 0 "[ . 1 . 2]" 2
172 1 12 GLY HA3 1 19 ALA HA . . 3.790 3.684 3.495 3.790 . 0 0 "[ . 1 . 2]" 2
173 1 12 GLY HA3 1 19 ALA MB . . 3.820 3.371 2.873 3.730 . 0 0 "[ . 1 . 2]" 2
174 1 20 PHE H 1 20 PHE HB2 . . 3.740 2.763 2.668 2.941 . 0 0 "[ . 1 . 2]" 2
175 1 20 PHE HB3 1 25 TYR HB2 . . 3.810 2.858 2.193 3.429 . 0 0 "[ . 1 . 2]" 2
176 1 20 PHE HB3 1 26 LEU HB2 . . 4.490 3.724 3.389 4.110 . 0 0 "[ . 1 . 2]" 2
177 1 20 PHE HB3 1 26 LEU MD1 . . 5.040 4.771 4.396 5.038 . 0 0 "[ . 1 . 2]" 2
178 1 20 PHE HB2 1 26 LEU MD1 . . 4.490 3.590 3.106 3.903 . 0 0 "[ . 1 . 2]" 2
179 1 32 THR H 1 32 THR HB . . 4.110 3.129 2.408 3.637 . 0 0 "[ . 1 . 2]" 2
180 1 9 LYS QE 1 9 LYS HG2 . . 3.850 2.537 2.134 3.296 . 0 0 "[ . 1 . 2]" 2
181 1 9 LYS QE 1 9 LYS HG3 . . 3.850 2.801 2.140 3.490 . 0 0 "[ . 1 . 2]" 2
182 1 11 PHE QE 1 23 LYS QE . . 4.860 3.656 1.978 4.765 . 0 0 "[ . 1 . 2]" 2
183 1 27 LEU H 1 27 LEU HB3 . . 3.740 3.576 3.551 3.592 . 0 0 "[ . 1 . 2]" 2
184 1 23 LYS HA 1 26 LEU HB2 . . 4.210 3.557 3.259 3.921 . 0 0 "[ . 1 . 2]" 2
185 1 20 PHE HB2 1 26 LEU HB3 . . 4.130 3.656 3.179 3.946 . 0 0 "[ . 1 . 2]" 2
186 1 20 PHE HB2 1 26 LEU HB2 . . 3.780 2.257 2.000 2.461 . 0 0 "[ . 1 . 2]" 2
187 1 28 VAL HA 1 31 GLN HG2 . . 4.440 3.863 2.618 4.402 . 0 0 "[ . 1 . 2]" 2
188 1 28 VAL HA 1 31 GLN QB . . 4.230 3.736 2.170 4.191 . 0 0 "[ . 1 . 2]" 2
189 1 27 LEU HB3 1 28 VAL HA . . 4.740 4.183 4.036 4.352 . 0 0 "[ . 1 . 2]" 2
190 1 28 VAL HA 1 28 VAL MG1 . . 3.250 2.405 2.321 2.467 . 0 0 "[ . 1 . 2]" 2
191 1 25 TYR HA 1 25 TYR QE . . 4.770 4.241 4.140 4.452 . 0 0 "[ . 1 . 2]" 2
192 1 11 PHE HB3 1 20 PHE H . . 4.540 3.882 3.480 4.361 . 0 0 "[ . 1 . 2]" 2
193 1 11 PHE H 1 11 PHE HB3 . . 3.830 3.701 3.605 3.824 . 0 0 "[ . 1 . 2]" 2
194 1 11 PHE HB2 1 20 PHE QD . . 5.260 4.432 4.013 4.843 . 0 0 "[ . 1 . 2]" 2
195 1 11 PHE HB3 1 26 LEU HB3 . . 4.370 3.841 3.368 4.174 . 0 0 "[ . 1 . 2]" 2
196 1 11 PHE HB2 1 26 LEU HB3 . . 5.100 4.608 3.911 5.052 . 0 0 "[ . 1 . 2]" 2
197 1 11 PHE HB3 1 26 LEU HB2 . . 3.760 3.420 3.066 3.756 . 0 0 "[ . 1 . 2]" 2
198 1 11 PHE HB2 1 26 LEU HB2 . . 4.080 3.817 3.046 4.080 . 0 0 "[ . 1 . 2]" 2
199 1 11 PHE HB2 1 26 LEU MD2 . . 3.590 3.351 2.772 3.562 . 0 0 "[ . 1 . 2]" 2
200 1 31 GLN QB 1 32 THR HA . . 4.730 3.886 3.777 4.635 . 0 0 "[ . 1 . 2]" 2
201 1 10 PRO HA 1 11 PHE H . . 3.400 3.325 3.291 3.389 . 0 0 "[ . 1 . 2]" 2
202 1 22 SER H 1 25 TYR HB2 . . 4.640 3.205 2.938 3.426 . 0 0 "[ . 1 . 2]" 2
203 1 22 SER H 1 25 TYR HB3 . . 4.640 4.524 4.316 4.641 0.001 20 0 "[ . 1 . 2]" 2
204 1 10 PRO HA 1 11 PHE QD . . 4.980 4.822 4.112 4.987 0.007 16 0 "[ . 1 . 2]" 2
205 1 20 PHE HB3 1 25 TYR HB3 . . 3.810 3.001 2.090 3.573 . 0 0 "[ . 1 . 2]" 2
206 1 8 GLU QG 1 9 LYS H . . 5.320 3.892 2.276 4.818 . 0 0 "[ . 1 . 2]" 2
207 1 24 SER HB2 1 25 TYR H . . 5.080 3.139 2.313 3.839 . 0 0 "[ . 1 . 2]" 2
208 1 24 SER HA 1 28 VAL H . . 5.210 4.265 3.839 4.646 . 0 0 "[ . 1 . 2]" 2
209 1 24 SER HA 1 27 LEU HB2 . . 3.740 2.955 2.612 3.162 . 0 0 "[ . 1 . 2]" 2
210 1 24 SER HA 1 27 LEU HB3 . . 4.610 4.494 4.230 4.630 0.020 17 0 "[ . 1 . 2]" 2
211 1 26 LEU MD1 1 30 GLN QG . . 4.270 2.824 1.978 3.826 . 0 0 "[ . 1 . 2]" 2
212 1 24 SER HA 1 27 LEU H . . 4.410 3.691 3.434 3.942 . 0 0 "[ . 1 . 2]" 2
213 1 16 CYS HB2 1 33 HIS HE1 . . 4.680 4.479 4.156 4.679 . 0 0 "[ . 1 . 2]" 2
214 1 16 CYS HB3 1 33 HIS HE1 . . 3.500 2.800 2.457 2.984 . 0 0 "[ . 1 . 2]" 2
215 1 18 LYS HD2 1 29 HIS HE1 . . 4.290 2.536 2.003 3.276 . 0 0 "[ . 1 . 2]" 2
216 1 18 LYS HD3 1 29 HIS HE1 . . 4.290 2.899 2.060 4.301 0.011 17 0 "[ . 1 . 2]" 2
217 1 18 LYS HB2 1 29 HIS HE1 . . 4.860 4.170 3.734 4.565 . 0 0 "[ . 1 . 2]" 2
218 1 18 LYS HG3 1 29 HIS HE1 . . 5.370 4.447 1.996 5.358 . 0 0 "[ . 1 . 2]" 2
219 1 29 HIS HE1 1 32 THR MG . . 4.610 3.677 2.498 4.565 . 0 0 "[ . 1 . 2]" 2
220 1 18 LYS H 1 18 LYS HB3 . . 4.050 3.597 3.550 3.651 . 0 0 "[ . 1 . 2]" 2
221 1 18 LYS HB2 1 19 ALA H . . 4.240 3.731 3.526 3.919 . 0 0 "[ . 1 . 2]" 2
222 1 31 GLN H 1 31 GLN HG3 . . 4.140 2.447 1.957 4.093 . 0 0 "[ . 1 . 2]" 2
223 1 18 LYS HB3 1 20 PHE QE . . 4.230 3.000 2.381 3.590 . 0 0 "[ . 1 . 2]" 2
224 1 18 LYS HB2 1 20 PHE HZ . . 4.690 4.234 3.891 4.526 . 0 0 "[ . 1 . 2]" 2
225 1 31 GLN HA 1 31 GLN HG2 . . 4.160 2.647 2.306 3.713 . 0 0 "[ . 1 . 2]" 2
226 1 28 VAL HA 1 31 GLN HG3 . . 4.440 2.753 2.170 4.450 0.010 16 0 "[ . 1 . 2]" 2
227 1 29 HIS HD2 1 30 GLN HA . . 4.060 3.252 2.836 4.047 . 0 0 "[ . 1 . 2]" 2
228 1 30 GLN HA 1 33 HIS HD2 . . 3.380 2.211 1.994 2.477 . 0 0 "[ . 1 . 2]" 2
229 1 30 GLN HA 1 30 GLN QG . . 3.460 2.339 2.221 2.712 . 0 0 "[ . 1 . 2]" 2
230 1 26 LEU MD1 1 30 GLN HA . . 4.750 4.586 4.273 4.762 0.012 19 0 "[ . 1 . 2]" 2
231 1 24 SER HB2 1 25 TYR HA . . 5.500 4.896 4.124 5.529 0.029 20 0 "[ . 1 . 2]" 2
232 1 24 SER HB3 1 25 TYR HA . . 5.500 4.389 3.928 5.505 0.005 19 0 "[ . 1 . 2]" 2
233 1 28 VAL HA 1 29 HIS HA . . 5.500 4.797 4.734 4.837 . 0 0 "[ . 1 . 2]" 2
234 1 9 LYS HB2 1 10 PRO QD . . 4.830 4.291 3.956 4.390 . 0 0 "[ . 1 . 2]" 2
235 1 25 TYR HA 1 28 VAL HB . . 3.490 3.156 3.010 3.462 . 0 0 "[ . 1 . 2]" 2
236 1 11 PHE HB3 1 23 LYS HA . . 4.390 3.642 2.977 4.363 . 0 0 "[ . 1 . 2]" 2
237 1 11 PHE QD 1 23 LYS HA . . 4.450 3.409 2.466 3.947 . 0 0 "[ . 1 . 2]" 2
238 1 11 PHE HB2 1 23 LYS HA . . 5.170 4.125 3.474 4.796 . 0 0 "[ . 1 . 2]" 2
239 1 23 LYS HA 1 23 LYS QE . . 5.500 4.254 2.060 4.754 . 0 0 "[ . 1 . 2]" 2
240 1 23 LYS HA 1 26 LEU HB3 . . 3.380 2.517 2.287 2.827 . 0 0 "[ . 1 . 2]" 2
241 1 23 LYS HA 1 23 LYS HG3 . . 3.940 2.940 2.259 3.947 0.007 6 0 "[ . 1 . 2]" 2
242 1 23 LYS HA 1 23 LYS HG2 . . 3.940 3.111 2.299 3.939 . 0 0 "[ . 1 . 2]" 2
243 1 23 LYS HA 1 26 LEU MD2 . . 4.110 3.155 2.855 3.418 . 0 0 "[ . 1 . 2]" 2
244 1 10 PRO HB2 1 11 PHE H . . 4.540 3.915 3.788 3.977 . 0 0 "[ . 1 . 2]" 2
245 1 27 LEU HA 1 30 GLN QG . . 4.070 3.545 2.302 4.098 0.028 17 0 "[ . 1 . 2]" 2
246 1 27 LEU HA 1 30 GLN HB2 . . 3.620 3.071 2.843 3.298 . 0 0 "[ . 1 . 2]" 2
247 1 27 LEU HA 1 30 GLN HB3 . . 4.710 4.623 4.390 4.720 0.010 17 0 "[ . 1 . 2]" 2
248 1 26 LEU MD1 1 27 LEU HA . . 4.620 4.365 4.202 4.592 . 0 0 "[ . 1 . 2]" 2
249 1 20 PHE QD 1 26 LEU HA . . 3.760 3.067 2.590 3.459 . 0 0 "[ . 1 . 2]" 2
250 1 26 LEU HA 1 29 HIS HD2 . . 5.070 3.947 3.695 4.303 . 0 0 "[ . 1 . 2]" 2
251 1 26 LEU HA 1 29 HIS HB3 . . 3.390 2.523 2.289 2.724 . 0 0 "[ . 1 . 2]" 2
252 1 28 VAL HB 1 29 HIS HB3 . . 4.870 4.724 4.627 4.870 . 0 0 "[ . 1 . 2]" 2
253 1 26 LEU HA 1 29 HIS HB2 . . 3.980 3.698 3.399 3.962 . 0 0 "[ . 1 . 2]" 2
254 1 31 GLN HA 1 31 GLN HG3 . . 4.160 3.095 2.703 3.776 . 0 0 "[ . 1 . 2]" 2
255 1 18 LYS HA 1 18 LYS HG2 . . 3.820 2.548 2.354 2.756 . 0 0 "[ . 1 . 2]" 2
256 1 31 GLN HA 1 34 ALA MB . . 3.710 2.612 2.188 3.457 . 0 0 "[ . 1 . 2]" 2
257 1 18 LYS HA 1 18 LYS HG3 . . 3.820 2.956 2.499 3.710 . 0 0 "[ . 1 . 2]" 2
258 1 17 GLU HA 1 17 GLU HG2 . . 4.100 3.147 2.234 4.199 0.099 18 0 "[ . 1 . 2]" 2
259 1 17 GLU HA 1 17 GLU HG3 . . 4.100 3.303 2.384 4.172 0.072 15 0 "[ . 1 . 2]" 2
260 1 8 GLU HA 1 8 GLU QG . . 3.900 2.847 2.168 3.490 . 0 0 "[ . 1 . 2]" 2
261 1 35 GLU HA 1 37 LYS H . . 3.970 3.622 3.187 3.962 . 0 0 "[ . 1 . 2]" 2
262 1 34 ALA MB 1 35 GLU HA . . 4.600 3.954 3.716 4.348 . 0 0 "[ . 1 . 2]" 2
263 1 13 CYS HB3 1 29 HIS HD2 . . 4.510 4.430 4.281 4.520 0.010 17 0 "[ . 1 . 2]" 2
264 1 13 CYS HB3 1 20 PHE QE . . 4.670 4.383 3.977 4.663 . 0 0 "[ . 1 . 2]" 2
265 1 13 CYS HB2 1 18 LYS HB2 . . 4.730 3.260 2.388 3.839 . 0 0 "[ . 1 . 2]" 2
266 1 13 CYS HB3 1 26 LEU MD1 . . 4.320 3.670 3.322 4.269 . 0 0 "[ . 1 . 2]" 2
267 1 13 CYS HB2 1 19 ALA HA . . 5.070 4.665 4.157 5.050 . 0 0 "[ . 1 . 2]" 2
268 1 13 CYS HB3 1 18 LYS HB2 . . 4.870 3.247 2.560 3.489 . 0 0 "[ . 1 . 2]" 2
269 1 17 GLU H 1 17 GLU HB3 . . 4.050 3.285 2.765 3.667 . 0 0 "[ . 1 . 2]" 2
270 1 11 PHE QE 1 23 LYS HD2 . . 5.190 3.601 2.052 4.962 . 0 0 "[ . 1 . 2]" 2
271 1 18 LYS HA 1 18 LYS HD2 . . 4.820 4.602 3.462 4.778 . 0 0 "[ . 1 . 2]" 2
272 1 18 LYS HA 1 18 LYS HD3 . . 4.820 4.347 2.529 4.618 . 0 0 "[ . 1 . 2]" 2
273 1 23 LYS HA 1 23 LYS HD2 . . 5.350 3.913 2.028 5.382 0.032 17 0 "[ . 1 . 2]" 2
274 1 23 LYS HA 1 23 LYS HD3 . . 5.350 4.076 2.096 5.354 0.004 6 0 "[ . 1 . 2]" 2
275 1 18 LYS H 1 18 LYS HD2 . . 5.130 4.263 3.760 4.990 . 0 0 "[ . 1 . 2]" 2
276 1 18 LYS H 1 18 LYS HD3 . . 5.130 4.720 4.311 5.043 . 0 0 "[ . 1 . 2]" 2
277 1 29 HIS HB2 1 30 GLN H . . 4.370 3.957 3.824 4.106 . 0 0 "[ . 1 . 2]" 2
278 1 29 HIS H 1 31 GLN QB . . 5.500 5.048 4.352 5.223 . 0 0 "[ . 1 . 2]" 2
279 1 20 PHE QD 1 29 HIS HB3 . . 5.220 4.449 4.169 4.631 . 0 0 "[ . 1 . 2]" 2
280 1 20 PHE QE 1 29 HIS HB2 . . 4.250 2.948 2.384 3.347 . 0 0 "[ . 1 . 2]" 2
281 1 20 PHE HZ 1 29 HIS HB2 . . 4.180 2.530 2.204 2.952 . 0 0 "[ . 1 . 2]" 2
282 1 26 LEU MD1 1 29 HIS HB2 . . 4.580 4.373 3.946 4.513 . 0 0 "[ . 1 . 2]" 2
283 1 29 HIS HA 1 31 GLN QB . . 4.880 4.157 3.766 4.893 0.013 16 0 "[ . 1 . 2]" 2
284 1 26 LEU HB2 1 29 HIS HB3 . . 5.400 4.796 4.451 4.979 . 0 0 "[ . 1 . 2]" 2
285 1 26 LEU HG 1 29 HIS HB3 . . 5.500 4.567 3.984 4.787 . 0 0 "[ . 1 . 2]" 2
286 1 26 LEU HG 1 30 GLN HB2 . . 5.480 4.840 3.993 5.154 . 0 0 "[ . 1 . 2]" 2
287 1 27 LEU HB3 1 30 GLN HB2 . . 5.500 4.736 4.445 5.083 . 0 0 "[ . 1 . 2]" 2
288 1 26 LEU MD1 1 30 GLN HB2 . . 5.000 4.705 3.877 5.021 0.021 19 0 "[ . 1 . 2]" 2
289 1 20 PHE QD 1 26 LEU HG . . 5.020 4.653 4.231 4.974 . 0 0 "[ . 1 . 2]" 2
290 1 26 LEU H 1 26 LEU HG . . 5.290 4.378 4.304 4.456 . 0 0 "[ . 1 . 2]" 2
291 1 26 LEU HG 1 27 LEU HA . . 4.690 3.338 3.105 3.524 . 0 0 "[ . 1 . 2]" 2
292 1 26 LEU HA 1 26 LEU HG . . 3.970 3.295 3.116 3.352 . 0 0 "[ . 1 . 2]" 2
293 1 23 LYS HA 1 26 LEU HG . . 5.120 4.712 4.370 4.961 . 0 0 "[ . 1 . 2]" 2
294 1 20 PHE HB2 1 26 LEU HG . . 5.420 5.240 4.946 5.425 0.005 17 0 "[ . 1 . 2]" 2
295 1 26 LEU HG 1 30 GLN QG . . 4.380 3.456 2.438 4.159 . 0 0 "[ . 1 . 2]" 2
296 1 9 LYS HA 1 9 LYS QE . . 5.050 4.395 2.107 5.013 . 0 0 "[ . 1 . 2]" 2
297 1 9 LYS HA 1 9 LYS HG3 . . 4.200 3.064 2.228 3.931 . 0 0 "[ . 1 . 2]" 2
298 1 27 LEU H 1 27 LEU HG . . 3.600 2.333 2.027 2.588 . 0 0 "[ . 1 . 2]" 2
299 1 27 LEU HA 1 27 LEU HG . . 3.990 2.924 2.797 3.114 . 0 0 "[ . 1 . 2]" 2
300 1 27 LEU HG 1 28 VAL H . . 5.500 4.375 4.105 4.590 . 0 0 "[ . 1 . 2]" 2
301 1 10 PRO HG3 1 11 PHE H . . 4.710 4.548 4.375 4.635 . 0 0 "[ . 1 . 2]" 2
302 1 18 LYS HG2 1 29 HIS HE1 . . 5.370 5.012 3.614 5.355 . 0 0 "[ . 1 . 2]" 2
303 1 18 LYS HG3 1 19 ALA H . . 4.980 4.721 4.326 4.956 . 0 0 "[ . 1 . 2]" 2
304 1 20 PHE H 1 26 LEU MD2 . . 5.150 4.184 3.706 4.666 . 0 0 "[ . 1 . 2]" 2
305 1 26 LEU MD2 1 30 GLN HE21 . . 4.770 3.269 2.926 4.772 0.002 19 0 "[ . 1 . 2]" 2
306 1 20 PHE QD 1 26 LEU MD2 . . 4.380 3.624 3.267 4.157 . 0 0 "[ . 1 . 2]" 2
307 1 11 PHE QD 1 26 LEU MD2 . . 4.020 2.921 2.303 3.649 . 0 0 "[ . 1 . 2]" 2
308 1 13 CYS HA 1 26 LEU MD2 . . 4.430 2.999 2.335 3.747 . 0 0 "[ . 1 . 2]" 2
309 1 26 LEU HA 1 26 LEU MD2 . . 4.380 3.933 3.905 4.021 . 0 0 "[ . 1 . 2]" 2
310 1 11 PHE HB3 1 26 LEU MD2 . . 3.280 2.059 1.939 2.253 . 0 0 "[ . 1 . 2]" 2
311 1 26 LEU HB3 1 26 LEU MD2 . . 3.440 2.287 2.129 2.378 . 0 0 "[ . 1 . 2]" 2
312 1 26 LEU HB2 1 26 LEU MD2 . . 3.340 2.391 2.305 2.651 . 0 0 "[ . 1 . 2]" 2
313 1 27 LEU MD2 1 28 VAL H . . 5.020 4.605 4.530 4.702 . 0 0 "[ . 1 . 2]" 2
314 1 23 LYS QE 1 27 LEU MD2 . . 4.450 3.629 2.191 4.468 0.018 17 0 "[ . 1 . 2]" 2
315 1 27 LEU HB3 1 27 LEU MD2 . . 3.340 2.241 2.080 2.334 . 0 0 "[ . 1 . 2]" 2
316 1 9 LYS HA 1 9 LYS HG2 . . 4.200 3.008 2.406 3.739 . 0 0 "[ . 1 . 2]" 2
317 1 37 LYS HA 1 38 PRO HD2 . . 3.260 2.262 1.999 2.393 . 0 0 "[ . 1 . 2]" 2
318 1 37 LYS HA 1 38 PRO HD3 . . 3.260 2.479 2.254 3.265 0.005 4 0 "[ . 1 . 2]" 2
319 1 8 GLU QG 1 10 PRO QD . . 5.060 3.592 1.978 4.938 . 0 0 "[ . 1 . 2]" 2
320 1 10 PRO QD 1 11 PHE QE . . 5.020 3.870 2.678 4.855 . 0 0 "[ . 1 . 2]" 2
321 1 10 PRO QD 1 11 PHE QD . . 3.810 2.835 2.372 3.764 . 0 0 "[ . 1 . 2]" 2
322 1 10 PRO QD 1 21 SER HA . . 3.280 2.797 1.992 3.278 . 0 0 "[ . 1 . 2]" 2
323 1 9 LYS HA 1 10 PRO QD . . 2.850 2.064 1.941 2.268 . 0 0 "[ . 1 . 2]" 2
324 1 9 LYS HB3 1 10 PRO QD . . 4.830 4.029 2.784 4.292 . 0 0 "[ . 1 . 2]" 2
325 1 27 LEU HB3 1 27 LEU MD1 . . 3.340 2.479 2.331 2.651 . 0 0 "[ . 1 . 2]" 2
326 1 27 LEU MD1 1 28 VAL H . . 5.020 4.137 3.861 4.552 . 0 0 "[ . 1 . 2]" 2
327 1 23 LYS QE 1 27 LEU MD1 . . 4.450 3.347 1.860 4.455 0.005 9 0 "[ . 1 . 2]" 2
328 1 13 CYS H 1 19 ALA MB . . 4.340 4.066 3.610 4.335 . 0 0 "[ . 1 . 2]" 2
329 1 20 PHE H 1 26 LEU MD1 . . 4.840 3.961 3.550 4.285 . 0 0 "[ . 1 . 2]" 2
330 1 26 LEU MD1 1 27 LEU H . . 5.310 4.279 4.169 4.395 . 0 0 "[ . 1 . 2]" 2
331 1 19 ALA H 1 19 ALA MB . . 3.540 2.636 2.437 2.750 . 0 0 "[ . 1 . 2]" 2
332 1 19 ALA MB 1 20 PHE QD . . 4.760 4.169 3.921 4.482 . 0 0 "[ . 1 . 2]" 2
333 1 26 LEU MD1 1 30 GLN HE22 . . 4.460 3.233 1.852 3.893 . 0 0 "[ . 1 . 2]" 2
334 1 13 CYS HA 1 26 LEU MD1 . . 3.330 2.264 2.046 2.640 . 0 0 "[ . 1 . 2]" 2
335 1 12 GLY HA2 1 19 ALA MB . . 3.390 2.720 2.036 3.065 . 0 0 "[ . 1 . 2]" 2
336 1 18 LYS HA 1 19 ALA MB . . 4.470 3.814 3.732 3.889 . 0 0 "[ . 1 . 2]" 2
337 1 12 GLY HA3 1 26 LEU MD1 . . 5.180 4.839 4.550 5.133 . 0 0 "[ . 1 . 2]" 2
338 1 26 LEU HA 1 26 LEU MD1 . . 3.260 2.216 2.019 2.571 . 0 0 "[ . 1 . 2]" 2
339 1 26 LEU MD1 1 29 HIS HB3 . . 3.850 3.120 2.725 3.314 . 0 0 "[ . 1 . 2]" 2
340 1 9 LYS QE 1 19 ALA MB . . 4.940 3.539 2.079 4.515 . 0 0 "[ . 1 . 2]" 2
341 1 11 PHE HB2 1 19 ALA MB . . 5.500 4.580 4.018 4.959 . 0 0 "[ . 1 . 2]" 2
342 1 13 CYS HB2 1 26 LEU MD1 . . 3.370 2.334 1.936 2.959 . 0 0 "[ . 1 . 2]" 2
343 1 26 LEU HB2 1 26 LEU MD1 . . 3.330 2.311 2.090 2.404 . 0 0 "[ . 1 . 2]" 2
344 1 12 GLY H 1 19 ALA MB . . 4.910 4.452 3.895 4.805 . 0 0 "[ . 1 . 2]" 2
345 1 28 VAL MG2 1 31 GLN HE21 . . 5.020 3.848 2.898 5.004 . 0 0 "[ . 1 . 2]" 2
346 1 25 TYR HA 1 28 VAL MG2 . . 3.630 3.175 2.859 3.504 . 0 0 "[ . 1 . 2]" 2
347 1 24 SER HA 1 28 VAL MG2 . . 4.720 4.095 3.610 4.510 . 0 0 "[ . 1 . 2]" 2
348 1 28 VAL HA 1 28 VAL MG2 . . 3.020 2.343 2.154 2.443 . 0 0 "[ . 1 . 2]" 2
349 1 27 LEU HB2 1 28 VAL MG2 . . 4.730 3.224 3.006 3.622 . 0 0 "[ . 1 . 2]" 2
350 1 27 LEU HB3 1 28 VAL MG2 . . 4.320 3.910 3.756 4.167 . 0 0 "[ . 1 . 2]" 2
351 1 20 PHE H 1 26 LEU HB2 . . 4.520 3.962 3.629 4.229 . 0 0 "[ . 1 . 2]" 2
352 1 26 LEU HB2 1 27 LEU H . . 4.830 3.926 3.810 4.066 . 0 0 "[ . 1 . 2]" 2
353 1 11 PHE HB3 1 20 PHE QD . . 5.250 4.550 4.127 5.002 . 0 0 "[ . 1 . 2]" 2
354 1 11 PHE HA 1 11 PHE QD . . 3.600 2.980 2.375 3.133 . 0 0 "[ . 1 . 2]" 2
355 1 11 PHE QD 1 20 PHE H . . 5.420 4.744 4.314 5.077 . 0 0 "[ . 1 . 2]" 2
356 1 11 PHE QD 1 23 LYS H . . 5.500 4.221 3.224 5.144 . 0 0 "[ . 1 . 2]" 2
357 1 11 PHE QE 1 23 LYS HG2 . . 4.940 3.937 2.332 4.934 . 0 0 "[ . 1 . 2]" 2
358 1 11 PHE QE 1 26 LEU MD2 . . 5.500 4.645 4.006 5.173 . 0 0 "[ . 1 . 2]" 2
359 1 11 PHE QE 1 23 LYS HG3 . . 4.940 3.652 2.394 4.889 . 0 0 "[ . 1 . 2]" 2
360 1 11 PHE QE 1 23 LYS HD3 . . 5.190 3.429 2.003 5.165 . 0 0 "[ . 1 . 2]" 2
361 1 20 PHE QD 1 26 LEU HB3 . . 4.620 4.298 3.763 4.612 . 0 0 "[ . 1 . 2]" 2
362 1 20 PHE QD 1 26 LEU HB2 . . 3.660 2.679 2.066 3.111 . 0 0 "[ . 1 . 2]" 2
363 1 20 PHE QD 1 26 LEU MD1 . . 3.330 2.104 1.916 2.556 . 0 0 "[ . 1 . 2]" 2
364 1 19 ALA HA 1 20 PHE QD . . 3.630 2.862 2.563 3.258 . 0 0 "[ . 1 . 2]" 2
365 1 20 PHE HA 1 20 PHE QD . . 4.060 3.134 2.983 3.225 . 0 0 "[ . 1 . 2]" 2
366 1 18 LYS HB2 1 20 PHE QE . . 4.050 3.089 2.811 3.465 . 0 0 "[ . 1 . 2]" 2
367 1 20 PHE QE 1 26 LEU MD1 . . 3.880 2.421 2.008 2.777 . 0 0 "[ . 1 . 2]" 2
368 1 20 PHE QE 1 26 LEU HB2 . . 5.390 4.265 3.871 4.602 . 0 0 "[ . 1 . 2]" 2
369 1 13 CYS HB2 1 20 PHE QE . . 3.770 3.033 2.556 3.318 . 0 0 "[ . 1 . 2]" 2
370 1 20 PHE QE 1 29 HIS HB3 . . 4.240 3.397 3.136 3.686 . 0 0 "[ . 1 . 2]" 2
371 1 20 PHE QE 1 26 LEU HA . . 4.290 3.341 3.031 3.690 . 0 0 "[ . 1 . 2]" 2
372 1 18 LYS HB3 1 20 PHE HZ . . 4.270 3.728 3.278 4.067 . 0 0 "[ . 1 . 2]" 2
373 1 20 PHE HZ 1 29 HIS HB3 . . 4.540 3.220 2.979 3.640 . 0 0 "[ . 1 . 2]" 2
374 1 20 PHE QD 1 29 HIS HB2 . . 4.810 4.527 4.201 4.739 . 0 0 "[ . 1 . 2]" 2
375 1 26 LEU MD1 1 29 HIS HD2 . . 3.640 2.441 2.049 2.788 . 0 0 "[ . 1 . 2]" 2
376 1 13 CYS HB2 1 29 HIS HD2 . . 3.550 3.052 2.729 3.353 . 0 0 "[ . 1 . 2]" 2
377 1 29 HIS HD2 1 30 GLN QG . . 3.900 2.712 2.148 3.640 . 0 0 "[ . 1 . 2]" 2
378 1 29 HIS HB3 1 29 HIS HD2 . . 3.890 2.748 2.696 2.807 . 0 0 "[ . 1 . 2]" 2
379 1 30 GLN QG 1 33 HIS HD2 . . 4.400 3.293 2.686 4.226 . 0 0 "[ . 1 . 2]" 2
380 1 15 CYS HB2 1 33 HIS HD2 . . 4.770 3.423 2.639 4.751 . 0 0 "[ . 1 . 2]" 2
381 1 15 CYS HB3 1 33 HIS HD2 . . 4.770 3.843 3.012 4.539 . 0 0 "[ . 1 . 2]" 2
382 1 33 HIS H 1 33 HIS HD2 . . 3.700 3.335 2.806 3.691 . 0 0 "[ . 1 . 2]" 2
383 1 11 PHE QE 1 22 SER HA . . 4.600 3.875 2.020 4.598 . 0 0 "[ . 1 . 2]" 2
384 1 25 TYR HA 1 25 TYR QD . . 3.480 2.203 1.997 2.650 . 0 0 "[ . 1 . 2]" 2
385 1 20 PHE HB3 1 25 TYR QD . . 4.590 4.079 3.462 4.588 . 0 0 "[ . 1 . 2]" 2
386 1 25 TYR QD 1 28 VAL HB . . 4.850 4.008 3.772 4.411 . 0 0 "[ . 1 . 2]" 2
387 1 25 TYR QD 1 28 VAL MG2 . . 4.520 4.150 3.855 4.474 . 0 0 "[ . 1 . 2]" 2
388 1 25 TYR QD 1 28 VAL MG1 . . 4.990 4.521 4.222 4.912 . 0 0 "[ . 1 . 2]" 2
389 1 17 GLU H 1 17 GLU HG3 . . 4.350 3.468 1.893 4.197 . 0 0 "[ . 1 . 2]" 2
390 1 8 GLU H 1 8 GLU QB . . 3.660 2.524 2.168 3.207 . 0 0 "[ . 1 . 2]" 2
391 1 8 GLU QB 1 10 PRO QD . . 4.860 3.008 1.899 4.879 0.019 16 0 "[ . 1 . 2]" 2
392 1 9 LYS H 1 9 LYS QG . . 4.930 2.896 1.886 3.940 . 0 0 "[ . 1 . 2]" 2
393 1 9 LYS HA 1 9 LYS QG . . 3.540 2.551 2.204 3.311 . 0 0 "[ . 1 . 2]" 2
394 1 9 LYS HA 1 10 PRO QG . . 4.690 3.938 3.844 4.094 . 0 0 "[ . 1 . 2]" 2
395 1 9 LYS HA 1 21 SER QB . . 4.910 3.983 3.314 4.739 . 0 0 "[ . 1 . 2]" 2
396 1 9 LYS QB 1 10 PRO QD . . 3.990 3.678 2.732 3.798 . 0 0 "[ . 1 . 2]" 2
397 1 9 LYS QB 1 11 PHE H . . 4.130 3.281 2.264 3.698 . 0 0 "[ . 1 . 2]" 2
398 1 9 LYS QB 1 20 PHE H . . 4.300 3.068 2.467 3.739 . 0 0 "[ . 1 . 2]" 2
399 1 9 LYS QE 1 9 LYS QG . . 3.380 2.235 2.052 2.561 . 0 0 "[ . 1 . 2]" 2
400 1 9 LYS QG 1 10 PRO QD . . 4.920 3.914 2.610 4.309 . 0 0 "[ . 1 . 2]" 2
401 1 9 LYS QG 1 21 SER QB . . 4.290 3.380 2.209 4.289 . 0 0 "[ . 1 . 2]" 2
402 1 9 LYS QE 1 21 SER QB . . 4.940 4.044 1.952 4.894 . 0 0 "[ . 1 . 2]" 2
403 1 10 PRO QB 1 11 PHE H . . 3.980 3.681 3.579 3.730 . 0 0 "[ . 1 . 2]" 2
404 1 10 PRO QB 1 11 PHE QD . . 5.200 3.719 2.660 4.267 . 0 0 "[ . 1 . 2]" 2
405 1 10 PRO QG 1 11 PHE H . . 4.110 3.188 2.976 3.293 . 0 0 "[ . 1 . 2]" 2
406 1 10 PRO QG 1 11 PHE QD . . 3.720 2.285 1.989 3.269 . 0 0 "[ . 1 . 2]" 2
407 1 10 PRO QG 1 11 PHE QE . . 4.170 2.536 2.072 3.016 . 0 0 "[ . 1 . 2]" 2
408 1 10 PRO QG 1 11 PHE HZ . . 5.350 4.286 3.363 5.052 . 0 0 "[ . 1 . 2]" 2
409 1 10 PRO QD 1 21 SER QB . . 4.850 4.348 3.368 4.849 . 0 0 "[ . 1 . 2]" 2
410 1 11 PHE QD 1 23 LYS QB . . 4.970 3.588 2.276 4.721 . 0 0 "[ . 1 . 2]" 2
411 1 11 PHE QD 1 23 LYS QG . . 4.170 3.368 2.374 4.173 0.003 9 0 "[ . 1 . 2]" 2
412 1 11 PHE QE 1 23 LYS QB . . 4.230 2.957 1.994 4.230 0.000 12 0 "[ . 1 . 2]" 2
413 1 11 PHE QE 1 23 LYS QD . . 4.450 2.812 1.984 4.079 . 0 0 "[ . 1 . 2]" 2
414 1 11 PHE HZ 1 23 LYS QB . . 5.190 3.754 2.664 5.158 . 0 0 "[ . 1 . 2]" 2
415 1 11 PHE HZ 1 23 LYS QG . . 5.340 4.484 2.933 5.322 . 0 0 "[ . 1 . 2]" 2
416 1 11 PHE HZ 1 23 LYS QD . . 5.340 4.293 3.184 5.350 0.010 17 0 "[ . 1 . 2]" 2
417 1 15 CYS H 1 15 CYS QB . . 3.510 2.278 2.173 2.485 . 0 0 "[ . 1 . 2]" 2
418 1 15 CYS QB 1 16 CYS H . . 3.560 2.543 2.487 2.612 . 0 0 "[ . 1 . 2]" 2
419 1 15 CYS QB 1 33 HIS QB . . 4.600 3.666 3.061 3.961 . 0 0 "[ . 1 . 2]" 2
420 1 15 CYS QB 1 33 HIS HD2 . . 4.110 3.097 2.565 3.748 . 0 0 "[ . 1 . 2]" 2
421 1 17 GLU H 1 17 GLU QB . . 3.520 2.491 2.213 2.864 . 0 0 "[ . 1 . 2]" 2
422 1 17 GLU HA 1 17 GLU QG . . 3.480 2.785 2.192 3.410 . 0 0 "[ . 1 . 2]" 2
423 1 17 GLU QB 1 18 LYS H . . 4.380 3.865 3.731 4.035 . 0 0 "[ . 1 . 2]" 2
424 1 18 LYS H 1 18 LYS QG . . 3.450 2.697 2.504 3.117 . 0 0 "[ . 1 . 2]" 2
425 1 18 LYS H 1 18 LYS QD . . 4.460 3.911 3.605 4.218 . 0 0 "[ . 1 . 2]" 2
426 1 18 LYS HA 1 18 LYS QG . . 3.280 2.381 2.284 2.534 . 0 0 "[ . 1 . 2]" 2
427 1 18 LYS HA 1 18 LYS QD . . 4.120 3.963 2.470 4.137 0.017 5 0 "[ . 1 . 2]" 2
428 1 18 LYS HB2 1 18 LYS QD . . 3.600 2.417 2.118 3.219 . 0 0 "[ . 1 . 2]" 2
429 1 18 LYS HB3 1 18 LYS QD . . 3.540 2.460 2.145 2.695 . 0 0 "[ . 1 . 2]" 2
430 1 18 LYS HB3 1 18 LYS QE . . 4.870 3.573 2.023 4.228 . 0 0 "[ . 1 . 2]" 2
431 1 18 LYS QE 1 18 LYS QG . . 3.300 2.255 2.062 2.588 . 0 0 "[ . 1 . 2]" 2
432 1 18 LYS QG 1 19 ALA H . . 4.390 3.705 3.414 4.136 . 0 0 "[ . 1 . 2]" 2
433 1 18 LYS QD 1 19 ALA H . . 4.960 4.538 3.199 4.889 . 0 0 "[ . 1 . 2]" 2
434 1 18 LYS QD 1 20 PHE QE . . 5.000 3.644 3.214 4.127 . 0 0 "[ . 1 . 2]" 2
435 1 18 LYS QD 1 20 PHE HZ . . 4.010 3.217 2.897 3.687 . 0 0 "[ . 1 . 2]" 2
436 1 18 LYS QD 1 29 HIS HE1 . . 3.580 2.287 1.953 3.180 . 0 0 "[ . 1 . 2]" 2
437 1 20 PHE QD 1 25 TYR QB . . 3.490 2.330 1.995 2.678 . 0 0 "[ . 1 . 2]" 2
438 1 20 PHE QE 1 25 TYR QB . . 5.010 3.733 3.441 3.914 . 0 0 "[ . 1 . 2]" 2
439 1 21 SER QB 1 22 SER H . . 4.120 2.850 2.289 3.837 . 0 0 "[ . 1 . 2]" 2
440 1 22 SER H 1 22 SER QB . . 3.690 2.512 2.281 2.930 . 0 0 "[ . 1 . 2]" 2
441 1 22 SER H 1 25 TYR QB . . 4.070 3.141 2.901 3.341 . 0 0 "[ . 1 . 2]" 2
442 1 22 SER QB 1 23 LYS H . . 3.880 3.229 2.184 3.738 . 0 0 "[ . 1 . 2]" 2
443 1 22 SER QB 1 25 TYR H . . 4.490 2.900 2.262 4.185 . 0 0 "[ . 1 . 2]" 2
444 1 22 SER QB 1 25 TYR QB . . 4.660 2.999 2.232 4.611 . 0 0 "[ . 1 . 2]" 2
445 1 22 SER QB 1 25 TYR QD . . 4.310 2.251 1.911 3.793 . 0 0 "[ . 1 . 2]" 2
446 1 22 SER QB 1 25 TYR QE . . 5.340 3.717 2.986 4.629 . 0 0 "[ . 1 . 2]" 2
447 1 23 LYS H 1 23 LYS QG . . 4.760 3.524 1.899 4.056 . 0 0 "[ . 1 . 2]" 2
448 1 23 LYS HA 1 23 LYS QG . . 3.450 2.565 2.207 3.342 . 0 0 "[ . 1 . 2]" 2
449 1 23 LYS HA 1 23 LYS QD . . 4.580 3.444 2.014 4.242 . 0 0 "[ . 1 . 2]" 2
450 1 23 LYS HA 1 27 LEU QD . . 4.870 4.336 3.753 4.699 . 0 0 "[ . 1 . 2]" 2
451 1 23 LYS QD 1 27 LEU QD . . 4.760 3.212 2.247 4.422 . 0 0 "[ . 1 . 2]" 2
452 1 23 LYS QE 1 27 LEU QD . . 3.830 2.983 1.798 3.817 . 0 0 "[ . 1 . 2]" 2
453 1 24 SER HA 1 27 LEU QD . . 3.690 2.299 1.974 2.780 . 0 0 "[ . 1 . 2]" 2
454 1 24 SER QB 1 25 TYR H . . 4.450 2.525 2.146 3.305 . 0 0 "[ . 1 . 2]" 2
455 1 24 SER QB 1 27 LEU H . . 5.340 5.056 4.844 5.342 0.002 19 0 "[ . 1 . 2]" 2
456 1 24 SER QB 1 27 LEU QD . . 4.760 3.919 3.569 4.220 . 0 0 "[ . 1 . 2]" 2
457 1 25 TYR H 1 25 TYR QB . . 2.990 2.224 2.168 2.339 . 0 0 "[ . 1 . 2]" 2
458 1 25 TYR QB 1 26 LEU H . . 3.220 2.543 2.405 2.710 . 0 0 "[ . 1 . 2]" 2
459 1 25 TYR QB 1 27 LEU H . . 5.340 4.717 4.578 4.918 . 0 0 "[ . 1 . 2]" 2
460 1 26 LEU HB3 1 27 LEU QD . . 4.930 4.140 3.870 4.390 . 0 0 "[ . 1 . 2]" 2
461 1 26 LEU HG 1 27 LEU QD . . 4.630 3.741 3.354 3.941 . 0 0 "[ . 1 . 2]" 2
462 1 26 LEU HG 1 30 GLN QE . . 4.820 2.218 1.781 3.365 . 0 0 "[ . 1 . 2]" 2
463 1 26 LEU MD1 1 30 GLN QE . . 3.650 2.066 1.691 2.777 . 0 0 "[ . 1 . 2]" 2
464 1 26 LEU MD2 1 30 GLN QE . . 4.000 2.840 2.565 3.427 . 0 0 "[ . 1 . 2]" 2
465 1 27 LEU H 1 27 LEU QD . . 3.780 3.116 2.935 3.260 . 0 0 "[ . 1 . 2]" 2
466 1 27 LEU HA 1 27 LEU QD . . 3.130 2.183 1.978 2.439 . 0 0 "[ . 1 . 2]" 2
467 1 27 LEU HA 1 30 GLN QE . . 5.340 3.385 2.196 5.021 . 0 0 "[ . 1 . 2]" 2
468 1 27 LEU QD 1 30 GLN HB2 . . 4.880 4.082 3.587 4.485 . 0 0 "[ . 1 . 2]" 2
469 1 27 LEU QD 1 30 GLN QG . . 4.900 4.225 2.913 4.902 0.002 12 0 "[ . 1 . 2]" 2
470 1 27 LEU QD 1 30 GLN QE . . 4.790 3.422 2.200 4.791 0.001 16 0 "[ . 1 . 2]" 2
471 1 28 VAL HA 1 31 GLN QG . . 3.840 2.588 2.155 3.523 . 0 0 "[ . 1 . 2]" 2
472 1 28 VAL HA 1 31 GLN QE . . 4.320 2.705 1.908 3.635 . 0 0 "[ . 1 . 2]" 2
473 1 28 VAL MG1 1 31 GLN QE . . 4.270 2.736 1.763 3.714 . 0 0 "[ . 1 . 2]" 2
474 1 28 VAL MG2 1 31 GLN QE . . 4.350 3.286 2.469 3.932 . 0 0 "[ . 1 . 2]" 2
475 1 29 HIS HD2 1 30 GLN QE . . 3.520 3.431 1.863 3.532 0.012 17 0 "[ . 1 . 2]" 2
476 1 30 GLN HA 1 33 HIS QB . . 4.500 3.538 2.322 4.187 . 0 0 "[ . 1 . 2]" 2
477 1 31 GLN H 1 31 GLN QG . . 3.440 2.263 1.940 3.279 . 0 0 "[ . 1 . 2]" 2
478 1 31 GLN HA 1 31 GLN QG . . 3.500 2.452 2.248 3.268 . 0 0 "[ . 1 . 2]" 2
479 1 33 HIS H 1 33 HIS QB . . 3.150 2.367 2.175 2.558 . 0 0 "[ . 1 . 2]" 2
480 1 33 HIS QB 1 33 HIS HD2 . . 3.380 2.640 2.624 2.700 . 0 0 "[ . 1 . 2]" 2
481 1 33 HIS QB 1 34 ALA H . . 4.160 2.780 2.585 3.121 . 0 0 "[ . 1 . 2]" 2
482 1 35 GLU H 1 35 GLU QB . . 3.430 2.465 2.137 3.241 . 0 0 "[ . 1 . 2]" 2
483 1 35 GLU H 1 35 GLU QG . . 4.390 3.256 1.937 4.324 . 0 0 "[ . 1 . 2]" 2
484 1 35 GLU H 1 36 GLU QB . . 4.840 4.474 3.597 4.832 . 0 0 "[ . 1 . 2]" 2
485 1 35 GLU QB 1 36 GLU H . . 3.440 2.740 2.030 3.441 0.001 7 0 "[ . 1 . 2]" 2
486 1 35 GLU QB 1 37 LYS H . . 4.640 4.095 2.402 4.654 0.014 6 0 "[ . 1 . 2]" 2
487 1 35 GLU QG 1 36 GLU H . . 5.240 3.386 1.852 4.656 . 0 0 "[ . 1 . 2]" 2
488 1 36 GLU HA 1 36 GLU QG . . 3.380 2.682 2.167 3.434 0.054 11 0 "[ . 1 . 2]" 2
489 1 36 GLU HA 1 37 LYS QB . . 5.340 4.752 3.967 5.233 . 0 0 "[ . 1 . 2]" 2
490 1 37 LYS H 1 37 LYS QB . . 3.430 2.528 2.235 3.184 . 0 0 "[ . 1 . 2]" 2
491 1 37 LYS QB 1 38 PRO QD . . 3.750 2.831 1.969 3.797 0.047 12 0 "[ . 1 . 2]" 2
492 1 37 LYS QG 1 38 PRO QD . . 4.700 3.131 1.814 4.149 . 0 0 "[ . 1 . 2]" 2
493 1 37 LYS QD 1 38 PRO QD . . 5.110 4.051 1.972 4.944 . 0 0 "[ . 1 . 2]" 2
494 1 40 GLY QA 1 41 PRO QD . . 3.090 1.975 1.907 2.059 . 0 0 "[ . 1 . 2]" 2
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