NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
600665 |
2naa   |
25933 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2naa
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 1208
_Distance_constraint_stats_list.Viol_count 438
_Distance_constraint_stats_list.Viol_total 930.342
_Distance_constraint_stats_list.Viol_max 0.539
_Distance_constraint_stats_list.Viol_rms 0.0274
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0034
_Distance_constraint_stats_list.Viol_average_violations_only 0.1416
_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 2 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 3 MET 0.000 0.000 . 0 "[ . 1 .]"
1 4 GLU 0.717 0.419 2 0 "[ . 1 .]"
1 5 ARG 2.236 0.444 9 0 "[ . 1 .]"
1 6 GLU 3.214 0.539 5 4 "[- *+ 1 * .]"
1 7 ASP 0.975 0.407 4 0 "[ . 1 .]"
1 8 GLU 0.904 0.366 14 0 "[ . 1 .]"
1 9 CYS 0.265 0.265 4 0 "[ . 1 .]"
1 10 PHE 1.463 0.324 12 0 "[ . 1 .]"
1 11 SER 2.048 0.201 4 0 "[ . 1 .]"
1 12 CYS 3.442 0.262 12 0 "[ . 1 .]"
1 13 GLY 0.030 0.030 9 0 "[ . 1 .]"
1 14 ASP 0.366 0.366 14 0 "[ . 1 .]"
1 15 ALA 0.728 0.407 4 0 "[ . 1 .]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 17 GLN 1.171 0.528 5 1 "[ + 1 .]"
1 18 LEU 1.343 0.304 4 0 "[ . 1 .]"
1 19 VAL 0.379 0.166 12 0 "[ . 1 .]"
1 20 SER 0.584 0.295 9 0 "[ . 1 .]"
1 21 CYS 0.482 0.208 8 0 "[ . 1 .]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 23 LYS 0.482 0.208 8 0 "[ . 1 .]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 .]"
1 25 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 26 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 27 PRO 2.344 0.191 3 0 "[ . 1 .]"
1 28 LYS 1.216 0.340 4 0 "[ . 1 .]"
1 29 VAL 3.078 0.447 5 0 "[ . 1 .]"
1 30 TYR 2.390 0.324 12 0 "[ . 1 .]"
1 31 HIS 0.643 0.379 11 0 "[ . 1 .]"
1 32 ALA 0.173 0.166 12 0 "[ . 1 .]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 35 LEU 0.296 0.123 8 0 "[ . 1 .]"
1 36 ASN 0.000 0.000 . 0 "[ . 1 .]"
1 37 LEU 0.162 0.098 3 0 "[ . 1 .]"
1 38 THR 0.000 0.000 . 0 "[ . 1 .]"
1 39 LYS 1.293 0.221 1 0 "[ . 1 .]"
1 40 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 41 PRO 0.155 0.098 3 0 "[ . 1 .]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 44 LYS 4.854 0.443 2 0 "[ . 1 .]"
1 45 TRP 7.656 0.443 2 0 "[ . 1 .]"
1 46 GLU 0.520 0.374 7 0 "[ . 1 .]"
1 47 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 48 PRO 0.245 0.123 8 0 "[ . 1 .]"
1 49 TRP 1.280 0.340 4 0 "[ . 1 .]"
1 50 HIS 0.143 0.115 10 0 "[ . 1 .]"
1 51 GLN 2.552 0.422 12 0 "[ . 1 .]"
1 52 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 53 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 54 VAL 1.442 0.099 9 0 "[ . 1 .]"
1 55 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 56 GLY 2.552 0.422 12 0 "[ . 1 .]"
1 57 LYS 0.335 0.222 11 0 "[ . 1 .]"
1 58 GLU 0.000 0.000 . 0 "[ . 1 .]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 60 ALA 0.641 0.187 15 0 "[ . 1 .]"
1 61 SER 0.000 0.000 . 0 "[ . 1 .]"
1 62 PHE 0.969 0.187 15 0 "[ . 1 .]"
1 63 CYS 0.868 0.308 1 0 "[ . 1 .]"
1 64 GLU 1.693 0.139 15 0 "[ . 1 .]"
1 65 MET 4.979 0.265 10 0 "[ . 1 .]"
1 66 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 67 PRO 0.824 0.270 13 0 "[ . 1 .]"
1 68 SER 0.333 0.238 1 0 "[ . 1 .]"
1 69 SER 0.000 0.000 . 0 "[ . 1 .]"
1 70 PHE 0.000 0.000 . 0 "[ . 1 .]"
1 71 CYS 0.000 0.000 . 0 "[ . 1 .]"
1 72 LYS 0.030 0.030 11 0 "[ . 1 .]"
1 73 GLN 1.232 0.308 6 0 "[ . 1 .]"
1 74 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 75 ARG 0.016 0.016 8 0 "[ . 1 .]"
1 76 GLU 0.446 0.108 10 0 "[ . 1 .]"
1 77 GLY 0.441 0.108 10 0 "[ . 1 .]"
1 78 MET 3.438 0.397 9 0 "[ . 1 .]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 80 PHE 1.313 0.144 10 0 "[ . 1 .]"
1 81 ILE 1.314 0.144 10 0 "[ . 1 .]"
1 82 SER 0.000 0.000 . 0 "[ . 1 .]"
1 83 LYS 1.207 0.449 8 0 "[ . 1 .]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 .]"
1 85 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 86 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 87 ARG 1.352 0.169 14 0 "[ . 1 .]"
1 88 LEU 1.860 0.290 10 0 "[ . 1 .]"
1 89 SER 2.728 0.308 1 0 "[ . 1 .]"
1 90 CYS 0.333 0.238 1 0 "[ . 1 .]"
1 91 THR 0.000 0.000 . 0 "[ . 1 .]"
1 92 GLU 2.516 0.261 10 0 "[ . 1 .]"
1 93 HIS 2.756 0.329 13 0 "[ . 1 .]"
1 94 ASP 1.944 0.329 13 0 "[ . 1 .]"
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 26 CYS HB3 1 50 HIS HE1 3.292 . 4.646 4.188 3.848 4.434 . 0 0 "[ . 1 .]" 1
2 1 93 HIS HA 1 93 HIS HB2 2.713 . 3.633 3.027 3.020 3.031 . 0 0 "[ . 1 .]" 1
3 1 92 GLU HA 1 92 GLU HB2 2.380 . 3.088 3.023 3.017 3.029 . 0 0 "[ . 1 .]" 1
4 1 92 GLU HB2 1 92 GLU HG3 2.701 . 3.613 2.405 2.339 2.471 . 0 0 "[ . 1 .]" 1
5 1 92 GLU HB2 1 92 GLU HG2 2.537 . 3.342 2.562 2.394 3.009 . 0 0 "[ . 1 .]" 1
6 1 4 GLU HA 1 4 GLU HB2 2.436 . 3.178 2.800 2.435 3.023 . 0 0 "[ . 1 .]" 1
7 1 91 THR HA 1 91 THR HB 2.339 . 3.023 2.549 2.519 2.587 . 0 0 "[ . 1 .]" 1
8 1 91 THR HB 1 91 THR MG 1.903 . 2.356 2.131 2.128 2.133 . 0 0 "[ . 1 .]" 1
9 1 91 THR HA 1 91 THR MG 2.198 . 2.802 2.261 2.214 2.309 . 0 0 "[ . 1 .]" 1
10 1 90 CYS HA 1 90 CYS HB3 2.630 . 3.494 2.512 2.472 2.528 . 0 0 "[ . 1 .]" 1
11 1 90 CYS HA 1 90 CYS HB2 2.649 . 3.526 2.416 2.400 2.449 . 0 0 "[ . 1 .]" 1
12 1 89 SER HA 1 89 SER HB3 2.872 . 3.903 2.991 2.430 3.033 . 0 0 "[ . 1 .]" 1
13 1 89 SER HA 1 89 SER HB2 2.449 . 3.199 2.498 2.462 2.523 . 0 0 "[ . 1 .]" 1
14 1 88 LEU HB2 1 88 LEU MD1 2.008 . 2.512 2.198 2.161 2.255 . 0 0 "[ . 1 .]" 1
15 1 88 LEU HA 1 88 LEU HB2 2.870 . 3.900 3.013 2.999 3.022 . 0 0 "[ . 1 .]" 1
16 1 57 LYS HA 1 57 LYS HG3 2.395 . 3.112 3.084 2.986 3.334 0.222 11 0 "[ . 1 .]" 1
17 1 88 LEU HB3 1 88 LEU MD1 2.450 . 3.200 2.537 2.455 2.623 . 0 0 "[ . 1 .]" 1
18 1 88 LEU HB3 1 88 LEU MD2 1.992 . 2.488 2.229 2.184 2.275 . 0 0 "[ . 1 .]" 1
19 1 88 LEU HA 1 88 LEU MD2 2.536 . 3.340 2.224 2.090 2.399 . 0 0 "[ . 1 .]" 1
20 1 62 PHE HA 1 69 SER HB3 2.580 . 3.412 2.468 2.348 2.597 . 0 0 "[ . 1 .]" 1
21 1 81 ILE MG 1 86 GLY HA2 2.261 . 2.900 2.301 2.142 2.503 . 0 0 "[ . 1 .]" 1
22 1 81 ILE MG 1 86 GLY HA3 3.290 . 4.643 3.501 3.302 3.746 . 0 0 "[ . 1 .]" 1
23 1 85 ASP HA 1 85 ASP HB2 2.488 . 3.262 2.985 2.566 3.025 . 0 0 "[ . 1 .]" 1
24 1 80 PHE HA 1 80 PHE HB2 2.716 . 3.638 2.508 2.480 2.538 . 0 0 "[ . 1 .]" 1
25 1 79 LEU HB2 1 79 LEU MD2 2.319 . 2.991 2.351 2.323 2.378 . 0 0 "[ . 1 .]" 1
26 1 79 LEU HB3 1 79 LEU MD2 2.210 . 2.821 2.322 2.302 2.342 . 0 0 "[ . 1 .]" 1
27 1 61 SER HB3 1 79 LEU MD2 3.133 . 4.360 3.222 3.162 3.291 . 0 0 "[ . 1 .]" 1
28 1 61 SER HB2 1 79 LEU MD2 1.935 . 2.403 1.890 1.841 1.941 . 0 0 "[ . 1 .]" 1
29 1 79 LEU HA 1 79 LEU MD1 2.162 . 2.746 2.031 1.994 2.066 . 0 0 "[ . 1 .]" 1
30 1 63 CYS HA 1 79 LEU MD1 2.007 . 2.510 2.044 1.969 2.108 . 0 0 "[ . 1 .]" 1
31 1 79 LEU MD1 1 90 CYS HB3 2.416 . 3.146 2.493 2.359 2.628 . 0 0 "[ . 1 .]" 1
32 1 63 CYS HB2 1 79 LEU MD1 2.510 . 3.298 2.378 2.305 2.506 . 0 0 "[ . 1 .]" 1
33 1 78 MET HA 1 78 MET HB3 2.618 . 3.474 2.490 2.457 2.514 . 0 0 "[ . 1 .]" 1
34 1 76 GLU HA 1 76 GLU HB3 2.557 . 3.375 2.508 2.450 2.549 . 0 0 "[ . 1 .]" 1
35 1 76 GLU HA 1 76 GLU HB2 2.810 . 3.797 3.014 3.007 3.019 . 0 0 "[ . 1 .]" 1
36 1 74 HIS HA 1 74 HIS HB3 2.606 . 3.455 2.493 2.479 2.517 . 0 0 "[ . 1 .]" 1
37 1 73 GLN HA 1 73 GLN HG3 2.602 . 3.448 3.074 2.391 3.756 0.308 6 0 "[ . 1 .]" 1
38 1 73 GLN HA 1 73 GLN HB2 2.493 . 3.270 2.864 2.471 3.018 . 0 0 "[ . 1 .]" 1
39 1 73 GLN HA 1 73 GLN HB3 2.467 . 3.228 2.656 2.451 3.016 . 0 0 "[ . 1 .]" 1
40 1 71 CYS HA 1 71 CYS HB2 2.555 . 3.371 2.417 2.405 2.430 . 0 0 "[ . 1 .]" 1
41 1 71 CYS HA 1 71 CYS HB3 2.493 . 3.270 2.506 2.495 2.521 . 0 0 "[ . 1 .]" 1
42 1 59 ALA MB 1 69 SER HB3 3.364 . 4.779 3.334 3.185 3.433 . 0 0 "[ . 1 .]" 1
43 1 68 SER HA 1 68 SER HB3 2.581 . 3.413 2.448 2.426 2.481 . 0 0 "[ . 1 .]" 1
44 1 68 SER HA 1 68 SER HB2 2.966 . 4.066 3.030 3.027 3.033 . 0 0 "[ . 1 .]" 1
45 1 65 MET HA 1 65 MET HG3 2.634 . 3.502 3.056 3.018 3.100 . 0 0 "[ . 1 .]" 1
46 1 65 MET HA 1 65 MET HB2 2.481 . 3.251 3.022 3.017 3.026 . 0 0 "[ . 1 .]" 1
47 1 65 MET HB3 1 65 MET HG2 2.637 . 3.507 2.430 2.407 2.458 . 0 0 "[ . 1 .]" 1
48 1 64 GLU HA 1 64 GLU HG3 3.015 . 4.151 3.101 2.991 3.165 . 0 0 "[ . 1 .]" 1
49 1 61 SER HA 1 61 SER HB2 2.462 . 3.220 2.505 2.491 2.530 . 0 0 "[ . 1 .]" 1
50 1 61 SER HA 1 61 SER HB3 2.597 . 3.440 2.417 2.397 2.428 . 0 0 "[ . 1 .]" 1
51 1 60 ALA HA 1 60 ALA MB 1.936 . 2.405 2.128 2.124 2.130 . 0 0 "[ . 1 .]" 1
52 1 59 ALA HA 1 59 ALA MB 1.891 . 2.338 2.122 2.119 2.126 . 0 0 "[ . 1 .]" 1
53 1 9 CYS HA 1 29 VAL MG1 2.477 . 3.244 2.817 2.654 3.509 0.265 4 0 "[ . 1 .]" 1
54 1 55 CYS HA 1 55 CYS HB3 2.427 . 3.164 2.424 2.398 2.470 . 0 0 "[ . 1 .]" 1
55 1 55 CYS HA 1 55 CYS HB2 2.416 . 3.145 2.440 2.396 2.467 . 0 0 "[ . 1 .]" 1
56 1 54 VAL HA 1 54 VAL HB 2.865 . 3.891 3.020 3.018 3.022 . 0 0 "[ . 1 .]" 1
57 1 54 VAL HB 1 54 VAL MG1 1.868 . 2.304 2.125 2.123 2.126 . 0 0 "[ . 1 .]" 1
58 1 54 VAL HA 1 54 VAL MG1 2.226 . 2.845 2.387 2.366 2.406 . 0 0 "[ . 1 .]" 1
59 1 54 VAL MG1 1 55 CYS HB3 3.051 . 4.214 3.033 2.853 3.186 . 0 0 "[ . 1 .]" 1
60 1 54 VAL HB 1 54 VAL MG2 1.889 . 2.335 2.128 2.127 2.129 . 0 0 "[ . 1 .]" 1
61 1 54 VAL MG1 1 54 VAL MG2 1.640 . 1.976 2.072 2.070 2.075 0.099 9 0 "[ . 1 .]" 1
62 1 54 VAL HA 1 54 VAL MG2 2.220 . 2.836 2.370 2.345 2.397 . 0 0 "[ . 1 .]" 1
63 1 54 VAL MG2 1 74 HIS HB3 2.280 . 2.930 2.156 2.095 2.234 . 0 0 "[ . 1 .]" 1
64 1 54 VAL MG2 1 74 HIS HB2 3.211 . 4.500 3.252 3.210 3.315 . 0 0 "[ . 1 .]" 1
65 1 53 ASP HA 1 53 ASP HB2 2.614 . 3.468 2.486 2.448 2.548 . 0 0 "[ . 1 .]" 1
66 1 52 CYS HA 1 52 CYS HB2 2.542 . 3.350 2.454 2.444 2.470 . 0 0 "[ . 1 .]" 1
67 1 50 HIS HA 1 50 HIS HB3 2.594 . 3.435 2.431 2.401 2.446 . 0 0 "[ . 1 .]" 1
68 1 50 HIS HA 1 62 PHE QE 3.135 . 4.363 2.652 2.480 2.927 . 0 0 "[ . 1 .]" 1
69 1 49 TRP HA 1 49 TRP HB2 2.891 . 3.936 2.609 2.559 2.648 . 0 0 "[ . 1 .]" 1
70 1 45 TRP HA 1 45 TRP HB2 2.660 . 3.544 2.420 2.394 2.452 . 0 0 "[ . 1 .]" 1
71 1 42 ALA HA 1 42 ALA MB 1.976 . 2.464 2.129 2.126 2.134 . 0 0 "[ . 1 .]" 1
72 1 70 PHE HB2 1 75 ARG HA 3.044 . 4.202 2.498 2.388 2.637 . 0 0 "[ . 1 .]" 1
73 1 70 PHE HB3 1 75 ARG HA 2.539 . 3.345 2.721 2.650 2.802 . 0 0 "[ . 1 .]" 1
74 1 75 ARG HB2 1 75 ARG HD3 2.567 . 3.390 3.082 3.019 3.156 . 0 0 "[ . 1 .]" 1
75 1 75 ARG HB3 1 75 ARG HD3 3.167 . 4.421 2.449 2.353 2.562 . 0 0 "[ . 1 .]" 1
76 1 38 THR HA 1 38 THR MG 2.331 . 3.010 2.309 2.213 2.361 . 0 0 "[ . 1 .]" 1
77 1 38 THR HB 1 38 THR MG 1.990 . 2.485 2.134 2.131 2.137 . 0 0 "[ . 1 .]" 1
78 1 36 ASN HA 1 36 ASN HB3 2.667 . 3.556 2.760 2.461 3.027 . 0 0 "[ . 1 .]" 1
79 1 36 ASN HA 1 36 ASN HB2 2.561 . 3.381 2.789 2.506 3.025 . 0 0 "[ . 1 .]" 1
80 1 33 ASP HA 1 33 ASP HB2 2.726 . 3.655 2.491 2.386 3.010 . 0 0 "[ . 1 .]" 1
81 1 33 ASP HA 1 33 ASP HB3 2.603 . 3.450 2.910 2.390 3.026 . 0 0 "[ . 1 .]" 1
82 1 32 ALA HA 1 32 ALA MB 1.908 . 2.363 2.127 2.122 2.130 . 0 0 "[ . 1 .]" 1
83 1 31 HIS HA 1 31 HIS HB3 2.752 . 3.699 2.441 2.427 2.457 . 0 0 "[ . 1 .]" 1
84 1 30 TYR HA 1 30 TYR HB2 2.704 . 3.618 3.026 3.015 3.035 . 0 0 "[ . 1 .]" 1
85 1 26 CYS HA 1 26 CYS HB3 2.815 . 3.806 3.015 2.993 3.029 . 0 0 "[ . 1 .]" 1
86 1 27 PRO HB3 1 27 PRO HD2 3.396 . 4.838 3.893 3.881 3.903 . 0 0 "[ . 1 .]" 1
87 1 27 PRO HB2 1 27 PRO HD2 3.447 . 4.932 3.926 3.868 3.960 . 0 0 "[ . 1 .]" 1
88 1 81 ILE HA 1 81 ILE MG 2.010 . 2.515 2.476 2.427 2.516 0.001 12 0 "[ . 1 .]" 1
89 1 81 ILE HB 1 81 ILE MG 1.852 . 2.281 2.123 2.120 2.125 . 0 0 "[ . 1 .]" 1
90 1 81 ILE HG12 1 81 ILE MG 2.708 . 3.625 3.193 3.190 3.195 . 0 0 "[ . 1 .]" 1
91 1 81 ILE HG13 1 81 ILE MG 2.226 . 2.845 2.382 2.362 2.413 . 0 0 "[ . 1 .]" 1
92 1 81 ILE HB 1 81 ILE MD 2.771 . 3.730 3.230 3.226 3.233 . 0 0 "[ . 1 .]" 1
93 1 81 ILE MD 1 81 ILE HG12 1.926 . 2.389 2.116 2.115 2.118 . 0 0 "[ . 1 .]" 1
94 1 81 ILE MD 1 81 ILE HG13 1.939 . 2.409 2.116 2.114 2.117 . 0 0 "[ . 1 .]" 1
95 1 81 ILE HA 1 81 ILE MD 2.182 . 2.777 2.023 1.980 2.055 . 0 0 "[ . 1 .]" 1
96 1 81 ILE MG 1 88 LEU HA 3.519 . 5.067 4.235 4.092 4.323 . 0 0 "[ . 1 .]" 1
97 1 20 SER HA 1 20 SER HB3 2.863 . 3.888 3.024 3.018 3.031 . 0 0 "[ . 1 .]" 1
98 1 20 SER HA 1 20 SER HB2 2.335 . 3.016 2.477 2.439 2.529 . 0 0 "[ . 1 .]" 1
99 1 20 SER HB3 1 29 VAL MG2 3.395 . 4.836 3.566 3.457 3.710 . 0 0 "[ . 1 .]" 1
100 1 19 VAL HB 1 19 VAL MG2 2.011 . 2.516 2.125 2.122 2.126 . 0 0 "[ . 1 .]" 1
101 1 19 VAL HA 1 19 VAL MG2 2.399 . 3.118 2.435 2.412 2.454 . 0 0 "[ . 1 .]" 1
102 1 19 VAL HA 1 19 VAL HB 2.398 . 3.117 2.411 2.402 2.427 . 0 0 "[ . 1 .]" 1
103 1 18 LEU MD2 1 18 LEU HG 1.830 . 2.249 2.119 2.115 2.122 . 0 0 "[ . 1 .]" 1
104 1 18 LEU MD1 1 18 LEU MD2 1.881 . 2.323 2.075 2.069 2.079 . 0 0 "[ . 1 .]" 1
105 1 18 LEU HB3 1 18 LEU MD2 2.160 . 2.743 2.267 2.238 2.309 . 0 0 "[ . 1 .]" 1
106 1 18 LEU HB2 1 18 LEU MD2 2.847 . 3.860 3.175 3.161 3.184 . 0 0 "[ . 1 .]" 1
107 1 9 CYS HB2 1 18 LEU MD2 1.996 . 2.494 1.988 1.896 2.072 . 0 0 "[ . 1 .]" 1
108 1 18 LEU HA 1 18 LEU MD2 2.068 . 2.602 2.136 2.067 2.202 . 0 0 "[ . 1 .]" 1
109 1 9 CYS HA 1 18 LEU MD2 2.510 . 3.297 2.635 2.558 2.710 . 0 0 "[ . 1 .]" 1
110 1 18 LEU MD2 1 30 TYR HA 2.820 . 3.814 2.844 2.735 2.977 . 0 0 "[ . 1 .]" 1
111 1 18 LEU HA 1 18 LEU MD1 3.688 . 5.388 3.899 3.884 3.912 . 0 0 "[ . 1 .]" 1
112 1 18 LEU MD1 1 18 LEU HG 1.945 . 2.418 2.121 2.118 2.124 . 0 0 "[ . 1 .]" 1
113 1 18 LEU HB3 1 18 LEU HG 2.528 . 3.327 3.004 2.994 3.010 . 0 0 "[ . 1 .]" 1
114 1 18 LEU HA 1 18 LEU HG 2.421 . 3.153 2.961 2.898 3.018 . 0 0 "[ . 1 .]" 1
115 1 7 ASP HA 1 18 LEU HG 3.055 . 6.000 5.544 5.050 6.130 0.130 4 0 "[ . 1 .]" 1
116 1 8 GLU HA 1 18 LEU HG 2.825 . 6.000 4.840 4.632 5.206 . 0 0 "[ . 1 .]" 1
117 1 18 LEU HA 1 18 LEU HB3 2.833 . 3.836 2.461 2.431 2.500 . 0 0 "[ . 1 .]" 1
118 1 18 LEU HB3 1 18 LEU MD1 2.762 . 3.716 2.489 2.441 2.543 . 0 0 "[ . 1 .]" 1
119 1 18 LEU HB2 1 18 LEU MD1 2.494 . 3.272 2.259 2.230 2.292 . 0 0 "[ . 1 .]" 1
120 1 18 LEU HB2 1 18 LEU HG 2.463 . 3.222 2.551 2.524 2.581 . 0 0 "[ . 1 .]" 1
121 1 24 PRO HA 1 24 PRO HG2 2.985 . 4.099 3.905 3.849 3.943 . 0 0 "[ . 1 .]" 1
122 1 17 GLN HA 1 17 GLN HG3 2.835 . 3.840 2.607 2.523 3.105 . 0 0 "[ . 1 .]" 1
123 1 17 GLN HA 1 17 GLN HG2 2.446 . 3.194 3.119 2.994 3.722 0.528 5 1 "[ + 1 .]" 1
124 1 15 ALA HA 1 15 ALA MB 1.812 . 2.222 2.122 2.118 2.126 . 0 0 "[ . 1 .]" 1
125 1 14 ASP HA 1 14 ASP HB2 2.980 . 4.090 3.014 2.996 3.025 . 0 0 "[ . 1 .]" 1
126 1 14 ASP HA 1 14 ASP HB3 2.630 . 3.495 2.560 2.498 2.616 . 0 0 "[ . 1 .]" 1
127 1 12 CYS HA 1 12 CYS HB3 2.777 . 3.741 2.432 2.408 2.449 . 0 0 "[ . 1 .]" 1
128 1 12 CYS HA 1 12 CYS HB2 2.593 . 3.434 3.022 3.018 3.024 . 0 0 "[ . 1 .]" 1
129 1 11 SER HA 1 11 SER HB2 2.455 . 3.208 2.876 2.467 3.025 . 0 0 "[ . 1 .]" 1
130 1 11 SER HA 1 11 SER HB3 2.799 . 3.778 2.582 2.396 3.028 . 0 0 "[ . 1 .]" 1
131 1 9 CYS HA 1 9 CYS HB3 2.951 . 4.040 3.021 3.015 3.024 . 0 0 "[ . 1 .]" 1
132 1 8 GLU HA 1 8 GLU HB2 2.762 . 3.716 2.478 2.438 2.503 . 0 0 "[ . 1 .]" 1
133 1 8 GLU HA 1 8 GLU HB3 2.361 . 3.058 3.026 3.023 3.031 . 0 0 "[ . 1 .]" 1
134 1 4 GLU HA 1 4 GLU HB3 2.684 . 3.584 2.632 2.434 3.026 . 0 0 "[ . 1 .]" 1
135 1 3 MET HA 1 3 MET HG3 3.589 . 5.199 3.090 2.482 3.751 . 0 0 "[ . 1 .]" 1
136 1 3 MET HA 1 3 MET HG2 3.011 . 4.144 3.396 2.438 3.807 . 0 0 "[ . 1 .]" 1
137 1 2 ALA HA 1 2 ALA MB 2.038 . 2.557 2.127 2.122 2.132 . 0 0 "[ . 1 .]" 1
138 1 84 LEU HA 1 84 LEU HB3 2.349 . 3.039 2.469 2.433 2.547 . 0 0 "[ . 1 .]" 1
139 1 84 LEU HA 1 84 LEU HB2 2.584 . 3.419 3.010 3.004 3.015 . 0 0 "[ . 1 .]" 1
140 1 84 LEU HA 1 84 LEU MD2 2.228 . 2.848 2.127 2.020 2.836 . 0 0 "[ . 1 .]" 1
141 1 81 ILE HB 1 81 ILE HG12 2.504 . 3.287 2.492 2.479 2.509 . 0 0 "[ . 1 .]" 1
142 1 81 ILE HB 1 81 ILE HG13 2.608 . 3.458 2.416 2.399 2.428 . 0 0 "[ . 1 .]" 1
143 1 81 ILE HA 1 81 ILE HB 2.765 . 3.720 3.013 3.007 3.017 . 0 0 "[ . 1 .]" 1
144 1 81 ILE HA 1 81 ILE HG12 2.651 . 3.529 2.867 2.795 2.945 . 0 0 "[ . 1 .]" 1
145 1 81 ILE HA 1 81 ILE HG13 3.192 . 4.465 3.687 3.662 3.715 . 0 0 "[ . 1 .]" 1
146 1 75 ARG HD2 1 75 ARG HG2 2.769 . 3.727 3.012 3.009 3.015 . 0 0 "[ . 1 .]" 1
147 1 87 ARG HA 1 87 ARG HD3 3.871 . 5.744 4.203 2.539 4.391 . 0 0 "[ . 1 .]" 1
148 1 87 ARG HB2 1 87 ARG HD3 3.195 . 4.471 3.084 2.912 3.586 . 0 0 "[ . 1 .]" 1
149 1 83 LYS HA 1 83 LYS HB3 2.088 . 2.633 2.476 2.447 2.524 . 0 0 "[ . 1 .]" 1
150 1 75 ARG HA 1 75 ARG HD3 4.482 . 6.993 4.766 4.660 4.875 . 0 0 "[ . 1 .]" 1
151 1 72 LYS HA 1 75 ARG HD2 3.449 . 4.936 3.740 3.651 3.910 . 0 0 "[ . 1 .]" 1
152 1 72 LYS HA 1 75 ARG HD3 2.347 . 3.035 2.247 2.115 2.328 . 0 0 "[ . 1 .]" 1
153 1 72 LYS HA 1 72 LYS HG3 2.885 . 3.926 3.004 2.949 3.064 . 0 0 "[ . 1 .]" 1
154 1 72 LYS HA 1 72 LYS HG2 2.409 . 3.135 2.513 2.404 2.626 . 0 0 "[ . 1 .]" 1
155 1 29 VAL HA 1 29 VAL HB 2.483 . 3.254 2.614 2.558 3.027 . 0 0 "[ . 1 .]" 1
156 1 29 VAL MG1 1 29 VAL MG2 1.718 . 2.087 2.066 2.040 2.075 . 0 0 "[ . 1 .]" 1
157 1 29 VAL HB 1 29 VAL MG1 2.067 . 2.601 2.113 2.110 2.115 . 0 0 "[ . 1 .]" 1
158 1 18 LEU HB2 1 29 VAL MG1 3.103 . 4.307 3.393 2.994 3.720 . 0 0 "[ . 1 .]" 1
159 1 18 LEU HB3 1 29 VAL MG1 2.412 . 3.139 2.494 1.924 2.759 . 0 0 "[ . 1 .]" 1
160 1 29 VAL HB 1 29 VAL MG2 1.816 . 2.228 2.106 2.097 2.125 . 0 0 "[ . 1 .]" 1
161 1 29 VAL HA 1 29 VAL MG1 3.014 . 4.149 3.143 2.502 3.202 . 0 0 "[ . 1 .]" 1
162 1 7 ASP HA 1 29 VAL MG1 2.889 . 3.933 2.970 2.559 3.433 . 0 0 "[ . 1 .]" 1
163 1 29 VAL HA 1 29 VAL MG2 2.186 . 2.783 2.281 2.250 2.359 . 0 0 "[ . 1 .]" 1
164 1 20 SER HA 1 29 VAL MG2 2.085 . 2.628 1.999 1.868 2.190 . 0 0 "[ . 1 .]" 1
165 1 20 SER HB2 1 29 VAL MG2 2.103 . 2.656 2.186 2.037 2.391 . 0 0 "[ . 1 .]" 1
166 1 39 LYS HA 1 39 LYS HB3 2.201 . 2.806 2.692 2.443 3.027 0.221 1 0 "[ . 1 .]" 1
167 1 39 LYS HA 1 39 LYS HB2 2.657 . 3.539 2.792 2.380 3.031 . 0 0 "[ . 1 .]" 1
168 1 21 CYS HA 1 21 CYS HB3 2.662 . 3.548 3.017 2.997 3.027 . 0 0 "[ . 1 .]" 1
169 1 37 LEU HA 1 37 LEU HB3 2.522 . 3.317 2.517 2.497 2.541 . 0 0 "[ . 1 .]" 1
170 1 32 ALA MB 1 37 LEU MD1 2.214 . 2.827 2.569 2.316 2.834 0.007 13 0 "[ . 1 .]" 1
171 1 37 LEU MD1 1 41 PRO HD2 3.070 . 4.248 3.125 2.809 3.442 . 0 0 "[ . 1 .]" 1
172 1 32 ALA HA 1 37 LEU MD1 2.619 . 3.476 2.242 2.104 2.397 . 0 0 "[ . 1 .]" 1
173 1 37 LEU HA 1 37 LEU MD2 1.972 . 2.458 1.969 1.936 2.018 . 0 0 "[ . 1 .]" 1
174 1 35 LEU MD1 1 48 PRO HG2 3.217 . 6.000 4.407 3.904 4.650 . 0 0 "[ . 1 .]" 1
175 1 30 TYR HB3 1 35 LEU MD1 2.705 . 3.620 2.851 2.561 3.121 . 0 0 "[ . 1 .]" 1
176 1 32 ALA HA 1 35 LEU MD1 2.650 . 3.528 2.633 2.420 2.855 . 0 0 "[ . 1 .]" 1
177 1 35 LEU HB3 1 35 LEU MD2 2.027 . 2.541 2.318 2.292 2.355 . 0 0 "[ . 1 .]" 1
178 1 35 LEU MD2 1 48 PRO HG2 2.586 . 3.422 2.727 2.326 2.978 . 0 0 "[ . 1 .]" 1
179 1 35 LEU HA 1 35 LEU MD2 2.350 . 3.040 2.105 2.065 2.141 . 0 0 "[ . 1 .]" 1
180 1 34 CYS HA 1 34 CYS HB2 2.995 . 4.116 2.582 2.547 2.628 . 0 0 "[ . 1 .]" 1
181 1 49 TRP HB3 1 67 PRO HA 3.527 . 6.000 4.900 4.416 5.390 . 0 0 "[ . 1 .]" 1
182 1 48 PRO HB2 1 48 PRO HD3 3.953 . 5.906 3.902 3.880 3.939 . 0 0 "[ . 1 .]" 1
183 1 67 PRO HA 1 67 PRO HG2 3.172 . 4.430 4.017 3.992 4.038 . 0 0 "[ . 1 .]" 1
184 1 41 PRO HA 1 41 PRO HB3 2.528 . 3.327 2.294 2.281 2.306 . 0 0 "[ . 1 .]" 1
185 1 41 PRO HA 1 41 PRO HG3 3.887 . 5.775 3.958 3.064 4.037 . 0 0 "[ . 1 .]" 1
186 1 41 PRO HB3 1 41 PRO HD3 3.525 . 5.078 3.040 2.911 4.023 . 0 0 "[ . 1 .]" 1
187 1 41 PRO HB3 1 41 PRO HD2 3.657 . 5.329 3.872 3.853 3.933 . 0 0 "[ . 1 .]" 1
188 1 41 PRO HB2 1 41 PRO HD2 3.663 . 5.340 3.977 3.041 4.062 . 0 0 "[ . 1 .]" 1
189 1 41 PRO HD2 1 41 PRO HG2 2.976 . 4.083 2.315 2.296 2.327 . 0 0 "[ . 1 .]" 1
190 1 41 PRO HD2 1 41 PRO HG3 2.780 . 3.746 2.728 2.686 2.989 . 0 0 "[ . 1 .]" 1
191 1 41 PRO HD3 1 41 PRO HG2 2.780 . 3.746 2.979 2.723 3.007 . 0 0 "[ . 1 .]" 1
192 1 67 PRO HD2 1 67 PRO HG2 2.774 . 3.736 2.355 2.349 2.361 . 0 0 "[ . 1 .]" 1
193 1 67 PRO HD3 1 67 PRO HG3 2.929 . 4.001 2.342 2.337 2.347 . 0 0 "[ . 1 .]" 1
194 1 48 PRO HA 1 48 PRO HB2 2.444 . 3.190 2.742 2.726 2.757 . 0 0 "[ . 1 .]" 1
195 1 24 PRO HA 1 24 PRO HB3 2.857 . 3.877 2.299 2.280 2.312 . 0 0 "[ . 1 .]" 1
196 1 24 PRO HA 1 24 PRO HB2 2.445 . 3.192 2.916 2.725 2.987 . 0 0 "[ . 1 .]" 1
197 1 27 PRO HA 1 27 PRO HG3 4.116 . 6.233 4.059 4.051 4.073 . 0 0 "[ . 1 .]" 1
198 1 94 ASP HA 1 94 ASP HB2 2.486 . 3.258 2.721 2.421 3.028 . 0 0 "[ . 1 .]" 1
199 1 80 PHE QE 1 91 THR HA 3.757 . 5.521 2.313 2.067 2.858 . 0 0 "[ . 1 .]" 1
200 1 90 CYS HB3 1 91 THR MG 4.537 . 7.110 5.632 5.495 5.732 . 0 0 "[ . 1 .]" 1
201 1 45 TRP HA 1 45 TRP HD1 3.190 . 4.462 2.839 2.640 2.949 . 0 0 "[ . 1 .]" 1
202 1 79 LEU HA 1 80 PHE QD 4.029 . 6.058 3.578 3.430 3.739 . 0 0 "[ . 1 .]" 1
203 1 30 TYR HB3 1 30 TYR QD 3.514 . 5.058 2.474 2.399 2.526 . 0 0 "[ . 1 .]" 1
204 1 30 TYR HB2 1 30 TYR QD 3.623 . 5.264 2.339 2.303 2.402 . 0 0 "[ . 1 .]" 1
205 1 9 CYS HB2 1 31 HIS HD2 3.415 . 4.872 4.011 3.930 4.118 . 0 0 "[ . 1 .]" 1
206 1 50 HIS HA 1 50 HIS HD2 4.447 . 6.919 4.868 4.845 4.893 . 0 0 "[ . 1 .]" 1
207 1 50 HIS HB2 1 51 GLN HG2 3.098 . 4.298 3.002 2.847 3.145 . 0 0 "[ . 1 .]" 1
208 1 89 SER HB3 1 93 HIS HD2 4.458 . 6.942 4.348 3.719 4.519 . 0 0 "[ . 1 .]" 1
209 1 8 GLU HG3 1 13 GLY HA2 3.126 . 4.347 3.975 3.604 4.377 0.030 9 0 "[ . 1 .]" 1
210 1 51 GLN HB2 1 56 GLY HA3 3.870 . 5.742 5.895 5.601 6.164 0.422 12 0 "[ . 1 .]" 1
211 1 51 GLN HB2 1 56 GLY HA2 3.212 . 4.502 4.348 4.087 4.565 0.063 12 0 "[ . 1 .]" 1
212 1 66 CYS HA 1 66 CYS HB2 2.935 . 4.012 2.378 2.358 2.393 . 0 0 "[ . 1 .]" 1
213 1 80 PHE HA 1 80 PHE HB3 2.588 . 3.425 2.417 2.394 2.436 . 0 0 "[ . 1 .]" 1
214 1 14 ASP HB2 1 31 HIS HE1 2.471 . 3.234 2.496 2.210 2.869 . 0 0 "[ . 1 .]" 1
215 1 14 ASP HB3 1 31 HIS HE1 3.318 . 4.694 3.572 3.359 3.858 . 0 0 "[ . 1 .]" 1
216 1 66 CYS HB2 1 93 HIS HE1 2.911 . 3.970 3.241 3.027 3.443 . 0 0 "[ . 1 .]" 1
217 1 49 TRP HZ2 1 64 GLU HG2 3.544 . 5.114 3.211 2.893 3.682 . 0 0 "[ . 1 .]" 1
218 1 27 PRO HB2 1 27 PRO HD3 2.865 . 3.891 4.047 4.025 4.082 0.191 3 0 "[ . 1 .]" 1
219 1 88 LEU HB3 1 89 SER HA 3.155 . 4.400 4.524 4.403 4.690 0.290 10 0 "[ . 1 .]" 1
220 1 82 SER HB2 1 89 SER HB2 3.060 . 4.230 2.672 2.242 3.243 . 0 0 "[ . 1 .]" 1
221 1 88 LEU HA 1 88 LEU HB3 2.531 . 3.332 2.538 2.506 2.587 . 0 0 "[ . 1 .]" 1
222 1 64 GLU HG2 1 88 LEU HB3 5.524 . 9.339 5.548 5.360 5.712 . 0 0 "[ . 1 .]" 1
223 1 88 LEU HA 1 88 LEU HG 2.620 . 3.478 2.785 2.733 2.841 . 0 0 "[ . 1 .]" 1
224 1 64 GLU HG3 1 88 LEU HG 3.514 . 5.058 4.018 3.811 4.514 . 0 0 "[ . 1 .]" 1
225 1 61 SER HB2 1 88 LEU MD2 2.487 . 6.000 3.355 2.787 4.095 . 0 0 "[ . 1 .]" 1
226 1 87 ARG HA 1 87 ARG HB3 2.734 . 3.669 2.512 2.455 2.566 . 0 0 "[ . 1 .]" 1
227 1 9 CYS HB3 1 31 HIS HE1 2.887 . 3.929 2.663 2.615 2.709 . 0 0 "[ . 1 .]" 1
228 1 64 GLU HG3 1 87 ARG HD3 4.103 . 6.207 5.154 4.463 5.798 . 0 0 "[ . 1 .]" 1
229 1 18 LEU HA 1 31 HIS HA 2.884 . 3.924 2.500 2.327 2.704 . 0 0 "[ . 1 .]" 1
230 1 40 ARG HG2 1 41 PRO HD3 4.375 . 6.767 4.708 4.317 5.711 . 0 0 "[ . 1 .]" 1
231 1 81 ILE HA 1 88 LEU HA 2.311 . 2.979 2.519 2.419 2.628 . 0 0 "[ . 1 .]" 1
232 1 81 ILE MD 1 86 GLY HA3 3.647 . 5.310 4.519 4.221 4.987 . 0 0 "[ . 1 .]" 1
233 1 80 PHE QD 1 82 SER HA 3.755 . 5.518 3.360 3.257 3.637 . 0 0 "[ . 1 .]" 1
234 1 79 LEU HA 1 90 CYS HA 2.525 . 3.322 2.214 2.157 2.302 . 0 0 "[ . 1 .]" 1
235 1 79 LEU HA 1 79 LEU HB3 2.947 . 4.032 3.014 3.008 3.018 . 0 0 "[ . 1 .]" 1
236 1 75 ARG HD3 1 75 ARG HG2 2.628 . 3.491 2.455 2.398 2.529 . 0 0 "[ . 1 .]" 1
237 1 79 LEU MD1 1 90 CYS HA 2.251 . 2.884 2.222 2.083 2.346 . 0 0 "[ . 1 .]" 1
238 1 79 LEU HA 1 79 LEU MD2 3.790 . 5.585 3.851 3.835 3.865 . 0 0 "[ . 1 .]" 1
239 1 63 CYS HA 1 79 LEU MD2 2.793 . 3.768 2.983 2.900 3.037 . 0 0 "[ . 1 .]" 1
240 1 79 LEU MD2 1 88 LEU HB3 2.628 . 3.491 2.189 2.077 2.273 . 0 0 "[ . 1 .]" 1
241 1 75 ARG HB3 1 79 LEU MD2 3.709 . 5.428 4.165 3.926 4.597 . 0 0 "[ . 1 .]" 1
242 1 79 LEU MD1 1 89 SER HA 2.981 . 4.092 3.145 3.011 3.248 . 0 0 "[ . 1 .]" 1
243 1 70 PHE QD 1 79 LEU MD1 3.729 . 5.467 2.828 2.542 3.195 . 0 0 "[ . 1 .]" 1
244 1 77 GLY HA3 1 78 MET HA 3.554 . 5.133 4.413 4.329 4.485 . 0 0 "[ . 1 .]" 1
245 1 78 MET HA 1 91 THR MG 2.836 . 3.842 2.543 2.293 2.794 . 0 0 "[ . 1 .]" 1
246 1 76 GLU HB3 1 77 GLY HA2 3.409 . 4.862 4.874 4.694 4.970 0.108 10 0 "[ . 1 .]" 1
247 1 75 ARG HG3 1 76 GLU HA 3.040 . 4.195 3.369 3.024 3.578 . 0 0 "[ . 1 .]" 1
248 1 75 ARG HA 1 78 MET HB2 2.851 . 3.867 2.658 2.407 3.011 . 0 0 "[ . 1 .]" 1
249 1 75 ARG HA 1 75 ARG HG3 3.447 . 4.932 3.763 3.694 3.818 . 0 0 "[ . 1 .]" 1
250 1 75 ARG HA 1 75 ARG HG2 3.301 . 4.663 3.750 3.701 3.790 . 0 0 "[ . 1 .]" 1
251 1 75 ARG HG2 1 76 GLU HA 3.990 . 5.980 4.565 4.305 4.810 . 0 0 "[ . 1 .]" 1
252 1 60 ALA MB 1 75 ARG HD2 3.622 . 5.262 3.908 3.635 4.312 . 0 0 "[ . 1 .]" 1
253 1 73 GLN HA 1 74 HIS HA 3.484 . 5.001 4.561 4.541 4.587 . 0 0 "[ . 1 .]" 1
254 1 70 PHE HA 1 70 PHE HB2 2.807 . 3.792 3.028 3.026 3.030 . 0 0 "[ . 1 .]" 1
255 1 52 CYS HA 1 70 PHE HA 2.434 . 3.175 2.261 2.169 2.343 . 0 0 "[ . 1 .]" 1
256 1 70 PHE HB2 1 75 ARG HB2 3.494 . 5.020 3.302 3.086 3.661 . 0 0 "[ . 1 .]" 1
257 1 70 PHE HB2 1 79 LEU MD2 4.617 . 7.282 3.566 3.287 3.957 . 0 0 "[ . 1 .]" 1
258 1 62 PHE QD 1 69 SER HA 4.630 . 7.310 4.048 3.845 4.432 . 0 0 "[ . 1 .]" 1
259 1 69 SER HA 1 69 SER HB3 2.581 . 3.414 2.355 2.305 2.402 . 0 0 "[ . 1 .]" 1
260 1 62 PHE HB2 1 69 SER HB2 3.920 . 5.840 5.489 5.149 5.804 . 0 0 "[ . 1 .]" 1
261 1 62 PHE QE 1 69 SER HB3 4.212 . 6.429 4.477 4.234 4.802 . 0 0 "[ . 1 .]" 1
262 1 68 SER HB2 1 90 CYS HB2 3.346 . 4.746 4.275 3.820 4.984 0.238 1 0 "[ . 1 .]" 1
263 1 68 SER HB2 1 70 PHE HZ 3.831 . 5.665 4.016 3.870 4.384 . 0 0 "[ . 1 .]" 1
264 1 68 SER HB2 1 70 PHE QE 4.387 . 6.792 4.021 3.699 4.261 . 0 0 "[ . 1 .]" 1
265 1 50 HIS HB2 1 51 GLN HG3 4.322 . 6.657 4.669 4.516 4.815 . 0 0 "[ . 1 .]" 1
266 1 65 MET HA 1 65 MET HG2 3.311 . 4.682 2.560 2.481 2.610 . 0 0 "[ . 1 .]" 1
267 1 31 HIS HA 1 32 ALA MB 3.822 . 5.648 4.040 4.022 4.063 . 0 0 "[ . 1 .]" 1
268 1 19 VAL MG1 1 31 HIS HA 2.949 . 4.036 3.214 3.036 3.319 . 0 0 "[ . 1 .]" 1
269 1 64 GLU HG2 1 88 LEU HB2 4.128 . 6.258 3.885 3.706 4.148 . 0 0 "[ . 1 .]" 1
270 1 64 GLU HA 1 64 GLU HG2 2.821 . 3.816 2.549 2.487 2.627 . 0 0 "[ . 1 .]" 1
271 1 63 CYS HA 1 64 GLU HG2 4.853 . 7.798 5.015 4.852 5.116 . 0 0 "[ . 1 .]" 1
272 1 63 CYS HA 1 64 GLU HG3 4.089 . 6.179 3.772 3.661 3.870 . 0 0 "[ . 1 .]" 1
273 1 62 PHE HA 1 62 PHE HB2 2.667 . 3.556 3.015 2.998 3.025 . 0 0 "[ . 1 .]" 1
274 1 61 SER HA 1 62 PHE QD 3.659 . 5.333 3.863 3.649 4.096 . 0 0 "[ . 1 .]" 1
275 1 60 ALA MB 1 75 ARG HD3 2.655 . 3.536 2.685 2.382 3.013 . 0 0 "[ . 1 .]" 1
276 1 60 ALA MB 1 72 LYS HA 2.875 . 3.909 2.891 2.617 3.079 . 0 0 "[ . 1 .]" 1
277 1 59 ALA HA 1 60 ALA MB 3.856 . 5.715 3.930 3.897 3.970 . 0 0 "[ . 1 .]" 1
278 1 60 ALA MB 1 71 CYS HA 2.890 . 3.934 3.075 2.876 3.279 . 0 0 "[ . 1 .]" 1
279 1 59 ALA HA 1 71 CYS HB2 3.657 . 5.328 3.878 3.679 3.977 . 0 0 "[ . 1 .]" 1
280 1 59 ALA HA 1 71 CYS HA 2.191 . 2.791 2.116 2.031 2.261 . 0 0 "[ . 1 .]" 1
281 1 59 ALA MB 1 62 PHE QE 2.580 . 3.412 2.524 2.279 2.872 . 0 0 "[ . 1 .]" 1
282 1 59 ALA MB 1 62 PHE QD 3.485 . 5.003 2.897 2.392 3.168 . 0 0 "[ . 1 .]" 1
283 1 59 ALA MB 1 70 PHE HA 3.392 . 4.830 3.544 3.457 3.655 . 0 0 "[ . 1 .]" 1
284 1 50 HIS HA 1 59 ALA MB 2.396 . 3.114 2.651 2.464 2.909 . 0 0 "[ . 1 .]" 1
285 1 59 ALA MB 1 69 SER HB2 2.265 . 2.906 1.970 1.878 2.054 . 0 0 "[ . 1 .]" 1
286 1 52 CYS HA 1 59 ALA MB 2.640 . 3.511 2.766 2.700 2.817 . 0 0 "[ . 1 .]" 1
287 1 59 ALA MB 1 60 ALA MB 3.559 . 5.142 4.278 4.192 4.361 . 0 0 "[ . 1 .]" 1
288 1 50 HIS HB3 1 59 ALA MB 3.530 . 5.088 4.094 3.958 4.240 . 0 0 "[ . 1 .]" 1
289 1 9 CYS HA 1 30 TYR HA 2.462 . 3.220 2.536 2.315 2.696 . 0 0 "[ . 1 .]" 1
290 1 58 GLU HA 1 59 ALA MB 4.090 . 6.181 3.978 3.919 4.024 . 0 0 "[ . 1 .]" 1
291 1 54 VAL MG1 1 55 CYS HA 3.100 . 4.301 3.388 3.294 3.525 . 0 0 "[ . 1 .]" 1
292 1 54 VAL HB 1 74 HIS HB2 3.008 . 4.139 3.115 2.995 3.267 . 0 0 "[ . 1 .]" 1
293 1 18 LEU MD2 1 29 VAL MG1 2.303 . 2.966 2.062 1.979 2.184 . 0 0 "[ . 1 .]" 1
294 1 54 VAL MG1 1 74 HIS HB2 3.817 . 5.638 4.000 3.890 4.091 . 0 0 "[ . 1 .]" 1
295 1 54 VAL MG1 1 55 CYS HB2 4.131 . 6.264 4.450 4.308 4.579 . 0 0 "[ . 1 .]" 1
296 1 54 VAL MG1 1 74 HIS HB3 3.356 . 4.764 3.228 3.120 3.345 . 0 0 "[ . 1 .]" 1
297 1 54 VAL MG2 1 74 HIS HA 3.982 . 5.964 4.192 4.077 4.335 . 0 0 "[ . 1 .]" 1
298 1 53 ASP HB3 1 54 VAL MG2 2.908 . 3.965 3.220 3.087 3.340 . 0 0 "[ . 1 .]" 1
299 1 51 GLN HA 1 51 GLN HG2 2.432 . 3.171 2.997 2.927 3.146 . 0 0 "[ . 1 .]" 1
300 1 51 GLN HA 1 51 GLN HG3 3.543 . 5.112 3.775 3.752 3.803 . 0 0 "[ . 1 .]" 1
301 1 51 GLN HA 1 58 GLU HA 3.219 . 4.514 3.215 2.812 3.711 . 0 0 "[ . 1 .]" 1
302 1 35 LEU MD2 1 48 PRO HD3 2.643 . 3.516 3.268 3.000 3.639 0.123 8 0 "[ . 1 .]" 1
303 1 37 LEU HB3 1 37 LEU MD2 2.603 . 3.450 2.408 2.353 2.434 . 0 0 "[ . 1 .]" 1
304 1 37 LEU HA 1 37 LEU MD1 3.401 . 4.847 3.826 3.810 3.859 . 0 0 "[ . 1 .]" 1
305 1 37 LEU MD1 1 37 LEU HG 2.058 . 2.587 2.127 2.124 2.128 . 0 0 "[ . 1 .]" 1
306 1 30 TYR HB3 1 35 LEU MD2 2.849 . 3.864 2.852 2.544 3.076 . 0 0 "[ . 1 .]" 1
307 1 35 LEU MD2 1 45 TRP HZ2 2.955 . 4.047 3.424 3.109 4.098 0.051 8 0 "[ . 1 .]" 1
308 1 35 LEU HB3 1 35 LEU MD1 2.133 . 2.701 2.335 2.287 2.379 . 0 0 "[ . 1 .]" 1
309 1 19 VAL MG1 1 32 ALA MB 2.170 . 2.759 2.621 2.416 2.925 0.166 12 0 "[ . 1 .]" 1
310 1 9 CYS HB2 1 30 TYR HA 2.852 . 3.869 3.056 2.917 3.203 . 0 0 "[ . 1 .]" 1
311 1 20 SER HA 1 29 VAL HA 2.529 . 3.328 2.534 2.311 2.751 . 0 0 "[ . 1 .]" 1
312 1 19 VAL HB 1 19 VAL MG1 1.971 . 2.456 2.124 2.121 2.127 . 0 0 "[ . 1 .]" 1
313 1 19 VAL MG1 1 30 TYR HB3 2.694 . 6.000 4.342 4.172 4.532 . 0 0 "[ . 1 .]" 1
314 1 19 VAL MG1 1 32 ALA HA 2.434 . 3.174 2.699 2.499 2.901 . 0 0 "[ . 1 .]" 1
315 1 19 VAL HA 1 19 VAL MG1 2.833 . 3.836 3.221 3.217 3.228 . 0 0 "[ . 1 .]" 1
316 1 19 VAL MG2 1 45 TRP HE3 3.192 . 4.465 3.263 2.749 3.861 . 0 0 "[ . 1 .]" 1
317 1 18 LEU HB3 1 29 VAL HB 3.442 . 4.923 4.185 4.085 4.321 . 0 0 "[ . 1 .]" 1
318 1 18 LEU HB2 1 29 VAL HB 3.620 . 5.258 5.166 4.916 5.562 0.304 4 0 "[ . 1 .]" 1
319 1 18 LEU MD2 1 29 VAL HB 3.303 . 4.667 4.617 3.715 4.809 0.142 11 0 "[ . 1 .]" 1
320 1 18 LEU MD2 1 29 VAL MG2 3.258 . 4.585 3.090 2.756 4.441 . 0 0 "[ . 1 .]" 1
321 1 9 CYS HB3 1 18 LEU MD2 3.483 . 4.999 3.231 3.174 3.303 . 0 0 "[ . 1 .]" 1
322 1 18 LEU MD2 1 31 HIS HA 2.834 . 3.838 2.889 2.794 3.059 . 0 0 "[ . 1 .]" 1
323 1 14 ASP HA 1 31 HIS HE1 4.078 . 6.157 4.807 4.648 4.936 . 0 0 "[ . 1 .]" 1
324 1 14 ASP HA 1 15 ALA MB 3.834 . 5.671 3.927 3.897 3.966 . 0 0 "[ . 1 .]" 1
325 1 8 GLU HG2 1 14 ASP HA 3.304 . 4.669 4.434 4.159 5.035 0.366 14 0 "[ . 1 .]" 1
326 1 15 ALA HA 1 18 LEU HG 2.822 . 3.817 3.593 3.368 3.894 0.077 9 0 "[ . 1 .]" 1
327 1 15 ALA HA 1 18 LEU MD2 2.995 . 4.116 2.722 2.620 2.837 . 0 0 "[ . 1 .]" 1
328 1 8 GLU HA 1 15 ALA HA 2.417 . 3.147 2.670 2.455 2.948 . 0 0 "[ . 1 .]" 1
329 1 8 GLU HA 1 15 ALA MB 2.557 . 3.374 2.415 2.253 2.590 . 0 0 "[ . 1 .]" 1
330 1 15 ALA MB 1 16 GLY HA2 3.830 . 5.663 3.854 3.824 3.883 . 0 0 "[ . 1 .]" 1
331 1 15 ALA MB 1 18 LEU HG 3.167 . 4.421 4.110 3.912 4.424 0.003 10 0 "[ . 1 .]" 1
332 1 15 ALA MB 1 18 LEU MD2 3.337 . 4.729 3.889 3.769 4.066 . 0 0 "[ . 1 .]" 1
333 1 10 PHE HB3 1 10 PHE QD 3.785 . 5.576 2.280 2.262 2.296 . 0 0 "[ . 1 .]" 1
334 1 10 PHE HB2 1 10 PHE QD 3.682 . 5.377 2.553 2.516 2.590 . 0 0 "[ . 1 .]" 1
335 1 9 CYS HB3 1 30 TYR HA 4.180 . 6.364 4.250 4.147 4.388 . 0 0 "[ . 1 .]" 1
336 1 8 GLU HG2 1 15 ALA HA 3.465 . 4.966 4.780 4.461 5.086 0.120 14 0 "[ . 1 .]" 1
337 1 6 GLU HB3 1 29 VAL MG1 4.310 . 6.632 3.093 2.098 6.153 . 0 0 "[ . 1 .]" 1
338 1 85 ASP HA 1 85 ASP HB3 2.800 . 3.780 2.537 2.400 3.009 . 0 0 "[ . 1 .]" 1
339 1 49 TRP HD1 1 67 PRO HA 2.821 . 3.816 2.127 1.944 2.442 . 0 0 "[ . 1 .]" 1
340 1 57 LYS HA 1 57 LYS HB2 2.543 . 3.351 3.018 3.011 3.021 . 0 0 "[ . 1 .]" 1
341 1 41 PRO HA 1 41 PRO HD2 3.791 . 5.588 4.082 3.945 4.099 . 0 0 "[ . 1 .]" 1
342 1 37 LEU MD2 1 41 PRO HD2 3.559 . 5.142 4.258 3.968 5.240 0.098 3 0 "[ . 1 .]" 1
343 1 37 LEU MD2 1 41 PRO HD3 2.787 . 3.758 2.916 2.650 3.815 0.057 3 0 "[ . 1 .]" 1
344 1 37 LEU MD1 1 41 PRO HD3 2.807 . 3.792 2.662 2.331 3.014 . 0 0 "[ . 1 .]" 1
345 1 40 ARG HA 1 41 PRO HD2 2.359 . 3.055 2.074 2.009 2.365 . 0 0 "[ . 1 .]" 1
346 1 40 ARG HA 1 41 PRO HD3 2.517 . 3.309 2.357 2.067 2.478 . 0 0 "[ . 1 .]" 1
347 1 28 LYS HA 1 28 LYS HG3 3.628 . 5.273 2.573 2.353 2.700 . 0 0 "[ . 1 .]" 1
348 1 28 LYS HA 1 28 LYS HG2 2.905 . 3.960 3.584 3.558 3.607 . 0 0 "[ . 1 .]" 1
349 1 27 PRO HD2 1 27 PRO HG3 2.698 . 3.608 2.828 2.805 2.863 . 0 0 "[ . 1 .]" 1
350 1 24 PRO HA 1 24 PRO HG3 3.662 . 5.339 3.244 2.918 4.026 . 0 0 "[ . 1 .]" 1
351 1 89 SER HB2 1 93 HIS HD2 4.014 . 6.028 3.819 2.894 4.179 . 0 0 "[ . 1 .]" 1
352 1 26 CYS HB2 1 50 HIS HE1 4.087 . 6.175 2.949 2.638 3.231 . 0 0 "[ . 1 .]" 1
353 1 54 VAL HB 1 74 HIS HD2 3.734 . 5.477 4.793 4.639 5.001 . 0 0 "[ . 1 .]" 1
354 1 68 SER HB2 1 90 CYS HB3 3.086 . 4.276 3.644 3.187 4.371 0.095 1 0 "[ . 1 .]" 1
355 1 64 GLU HG3 1 87 ARG HB3 3.618 . 5.254 3.866 3.611 4.095 . 0 0 "[ . 1 .]" 1
356 1 28 LYS HB3 1 49 TRP HZ3 3.366 . 4.782 4.752 4.444 5.122 0.340 4 0 "[ . 1 .]" 1
357 1 28 LYS HB2 1 49 TRP HZ3 4.500 . 7.031 3.328 3.112 3.683 . 0 0 "[ . 1 .]" 1
358 1 32 ALA MB 1 37 LEU HB2 2.285 . 2.938 2.136 2.063 2.250 . 0 0 "[ . 1 .]" 1
359 1 28 LYS HB3 1 28 LYS HD3 3.629 . 5.275 3.716 3.664 3.752 . 0 0 "[ . 1 .]" 1
360 1 28 LYS HB2 1 28 LYS HD3 4.373 . 6.763 2.540 2.461 2.600 . 0 0 "[ . 1 .]" 1
361 1 28 LYS HA 1 28 LYS HD3 2.905 . 3.960 3.115 2.852 3.549 . 0 0 "[ . 1 .]" 1
362 1 45 TRP HA 1 46 GLU H 2.376 . 3.081 2.134 2.114 2.153 . 0 0 "[ . 1 .]" 1
363 1 50 HIS HB3 1 51 GLN HE22 4.476 . 6.980 4.623 4.440 4.850 . 0 0 "[ . 1 .]" 1
364 1 50 HIS HB2 1 51 GLN HE22 4.144 . 6.290 4.405 4.014 4.656 . 0 0 "[ . 1 .]" 1
365 1 51 GLN HE22 1 51 GLN HG2 3.543 . 5.112 3.505 3.487 3.519 . 0 0 "[ . 1 .]" 1
366 1 50 HIS HB2 1 51 GLN HE21 3.170 . 4.426 3.015 2.756 3.314 . 0 0 "[ . 1 .]" 1
367 1 51 GLN HE21 1 51 GLN HG3 4.048 . 6.097 3.382 2.849 3.513 . 0 0 "[ . 1 .]" 1
368 1 51 GLN HE21 1 51 GLN HG2 2.724 . 3.652 2.290 2.254 2.310 . 0 0 "[ . 1 .]" 1
369 1 51 GLN HA 1 51 GLN HE22 4.073 . 6.147 3.463 3.210 4.156 . 0 0 "[ . 1 .]" 1
370 1 45 TRP H 1 45 TRP HA 2.266 . 2.908 2.925 2.908 2.931 0.023 7 0 "[ . 1 .]" 1
371 1 45 TRP H 1 45 TRP HB3 2.126 . 2.691 2.508 2.422 2.575 . 0 0 "[ . 1 .]" 1
372 1 44 LYS HB2 1 45 TRP H 2.984 . 4.097 4.386 4.262 4.540 0.443 2 0 "[ . 1 .]" 1
373 1 49 TRP H 1 49 TRP HB2 2.555 . 3.371 2.368 2.292 2.470 . 0 0 "[ . 1 .]" 1
374 1 49 TRP H 1 49 TRP HB3 3.129 . 4.353 2.710 2.606 2.790 . 0 0 "[ . 1 .]" 1
375 1 65 MET H 1 66 CYS H 2.329 . 3.007 1.926 1.863 2.036 . 0 0 "[ . 1 .]" 1
376 1 93 HIS H 1 94 ASP H 2.955 . 4.047 3.292 2.907 4.376 0.329 13 0 "[ . 1 .]" 1
377 1 63 CYS HA 1 66 CYS H 3.675 . 5.363 4.691 4.520 4.878 . 0 0 "[ . 1 .]" 1
378 1 66 CYS H 1 66 CYS HA 2.847 . 3.860 2.845 2.814 2.866 . 0 0 "[ . 1 .]" 1
379 1 66 CYS H 1 66 CYS HB2 3.346 . 4.746 4.043 4.009 4.079 . 0 0 "[ . 1 .]" 1
380 1 66 CYS H 1 66 CYS HB3 3.579 . 5.180 3.341 3.290 3.417 . 0 0 "[ . 1 .]" 1
381 1 65 MET HA 1 66 CYS H 3.449 . 4.936 3.351 3.263 3.435 . 0 0 "[ . 1 .]" 1
382 1 65 MET HG2 1 66 CYS H 4.507 . 7.046 5.268 5.232 5.317 . 0 0 "[ . 1 .]" 1
383 1 65 MET HB2 1 66 CYS H 4.339 . 6.692 3.460 3.258 3.672 . 0 0 "[ . 1 .]" 1
384 1 65 MET HB3 1 66 CYS H 3.609 . 5.237 4.222 4.022 4.349 . 0 0 "[ . 1 .]" 1
385 1 49 TRP HE1 1 62 PHE QD 4.643 . 7.338 4.783 4.566 4.967 . 0 0 "[ . 1 .]" 1
386 1 49 TRP HE1 1 67 PRO HA 3.716 . 5.442 3.442 3.201 3.716 . 0 0 "[ . 1 .]" 1
387 1 49 TRP HE1 1 62 PHE HB2 3.127 . 4.350 3.945 3.536 4.231 . 0 0 "[ . 1 .]" 1
388 1 49 TRP HE1 1 62 PHE HB3 4.396 . 6.811 2.931 2.852 3.027 . 0 0 "[ . 1 .]" 1
389 1 21 CYS HB2 1 23 LYS H 3.151 . 4.392 4.398 4.297 4.600 0.208 8 0 "[ . 1 .]" 1
390 1 22 LYS HA 1 23 LYS H 2.981 . 4.092 2.946 2.765 3.135 . 0 0 "[ . 1 .]" 1
391 1 47 CYS H 1 50 HIS HD2 3.345 . 4.743 3.193 2.907 3.408 . 0 0 "[ . 1 .]" 1
392 1 47 CYS H 1 50 HIS HB3 4.260 . 6.528 6.094 5.737 6.357 . 0 0 "[ . 1 .]" 1
393 1 47 CYS H 1 47 CYS HB2 2.876 . 3.910 3.602 3.588 3.619 . 0 0 "[ . 1 .]" 1
394 1 22 LYS H 1 23 LYS H 2.784 . 3.753 2.780 2.554 3.110 . 0 0 "[ . 1 .]" 1
395 1 21 CYS HA 1 22 LYS H 2.718 . 3.642 2.228 2.171 2.271 . 0 0 "[ . 1 .]" 1
396 1 21 CYS HB3 1 22 LYS H 4.666 . 7.387 3.944 3.741 4.233 . 0 0 "[ . 1 .]" 1
397 1 21 CYS HB2 1 22 LYS H 4.241 . 6.489 4.323 4.188 4.490 . 0 0 "[ . 1 .]" 1
398 1 21 CYS H 1 21 CYS HB3 2.448 . 3.197 2.665 2.590 2.773 . 0 0 "[ . 1 .]" 1
399 1 21 CYS H 1 21 CYS HB2 2.916 . 3.979 2.354 2.209 2.494 . 0 0 "[ . 1 .]" 1
400 1 20 SER HA 1 21 CYS H 2.338 . 3.021 2.252 2.190 2.345 . 0 0 "[ . 1 .]" 1
401 1 46 GLU HA 1 47 CYS H 2.676 . 3.571 2.189 2.162 2.235 . 0 0 "[ . 1 .]" 1
402 1 93 HIS HA 1 94 ASP H 2.641 . 3.513 2.529 2.163 2.687 . 0 0 "[ . 1 .]" 1
403 1 94 ASP H 1 94 ASP HA 2.916 . 3.979 2.922 2.876 2.949 . 0 0 "[ . 1 .]" 1
404 1 93 HIS HB2 1 94 ASP H 3.803 . 5.611 4.332 4.194 4.433 . 0 0 "[ . 1 .]" 1
405 1 93 HIS HB3 1 94 ASP H 3.850 . 5.703 4.233 3.285 4.421 . 0 0 "[ . 1 .]" 1
406 1 94 ASP H 1 94 ASP HB3 2.608 . 3.458 3.075 2.405 3.768 0.310 10 0 "[ . 1 .]" 1
407 1 93 HIS H 1 93 HIS HA 2.931 . 4.005 2.946 2.934 2.950 . 0 0 "[ . 1 .]" 1
408 1 92 GLU HA 1 93 HIS H 3.009 . 4.141 3.160 3.004 3.342 . 0 0 "[ . 1 .]" 1
409 1 93 HIS H 1 93 HIS HB2 4.065 . 6.131 2.631 2.542 2.685 . 0 0 "[ . 1 .]" 1
410 1 93 HIS H 1 93 HIS HB3 2.754 . 3.702 3.761 3.700 3.799 0.097 3 0 "[ . 1 .]" 1
411 1 92 GLU HG3 1 93 HIS H 4.678 . 7.414 5.487 4.673 5.848 . 0 0 "[ . 1 .]" 1
412 1 92 GLU HB2 1 93 HIS H 4.098 . 6.197 3.723 3.351 3.989 . 0 0 "[ . 1 .]" 1
413 1 92 GLU HB3 1 93 HIS H 3.766 . 5.539 4.360 4.213 4.494 . 0 0 "[ . 1 .]" 1
414 1 92 GLU H 1 93 HIS H 2.763 . 3.717 2.521 2.402 2.751 . 0 0 "[ . 1 .]" 1
415 1 92 GLU H 1 92 GLU HA 2.769 . 3.727 2.907 2.873 2.946 . 0 0 "[ . 1 .]" 1
416 1 92 GLU H 1 92 GLU HB2 3.273 . 4.612 2.509 2.400 2.620 . 0 0 "[ . 1 .]" 1
417 1 92 GLU H 1 92 GLU HB3 2.617 . 3.473 3.641 3.599 3.734 0.261 10 0 "[ . 1 .]" 1
418 1 90 CYS HB3 1 92 GLU H 4.262 . 6.533 4.141 4.070 4.327 . 0 0 "[ . 1 .]" 1
419 1 90 CYS HA 1 92 GLU H 4.388 . 6.795 4.003 3.899 4.106 . 0 0 "[ . 1 .]" 1
420 1 90 CYS HA 1 91 THR H 2.705 . 3.620 2.426 2.363 2.492 . 0 0 "[ . 1 .]" 1
421 1 91 THR H 1 91 THR HA 2.898 . 3.948 2.847 2.810 2.876 . 0 0 "[ . 1 .]" 1
422 1 90 CYS HB3 1 91 THR H 3.613 . 5.245 3.830 3.757 3.922 . 0 0 "[ . 1 .]" 1
423 1 90 CYS HB2 1 91 THR H 2.684 . 3.584 2.438 2.344 2.578 . 0 0 "[ . 1 .]" 1
424 1 91 THR H 1 91 THR MG 2.629 . 3.493 2.491 2.366 2.593 . 0 0 "[ . 1 .]" 1
425 1 79 LEU MD1 1 91 THR H 4.680 . 7.417 4.269 4.193 4.447 . 0 0 "[ . 1 .]" 1
426 1 79 LEU MD1 1 90 CYS H 3.103 . 4.307 2.970 2.836 3.063 . 0 0 "[ . 1 .]" 1
427 1 90 CYS H 1 90 CYS HB2 3.709 . 5.429 3.643 3.626 3.658 . 0 0 "[ . 1 .]" 1
428 1 89 SER HA 1 90 CYS H 2.459 . 3.215 2.182 2.172 2.192 . 0 0 "[ . 1 .]" 1
429 1 63 CYS HA 1 90 CYS H 3.417 . 4.876 4.351 4.152 4.672 . 0 0 "[ . 1 .]" 1
430 1 90 CYS H 1 90 CYS HB3 3.037 . 4.190 2.628 2.579 2.724 . 0 0 "[ . 1 .]" 1
431 1 89 SER HB3 1 90 CYS H 4.078 . 6.157 4.036 4.007 4.109 . 0 0 "[ . 1 .]" 1
432 1 90 CYS H 1 93 HIS HD2 3.212 . 4.502 3.002 2.856 3.289 . 0 0 "[ . 1 .]" 1
433 1 90 CYS H 1 91 THR H 4.650 . 7.353 4.573 4.543 4.597 . 0 0 "[ . 1 .]" 1
434 1 79 LEU HA 1 89 SER H 4.196 . 6.397 4.557 4.453 4.659 . 0 0 "[ . 1 .]" 1
435 1 88 LEU HA 1 89 SER H 2.224 . 2.842 2.141 2.120 2.164 . 0 0 "[ . 1 .]" 1
436 1 81 ILE HA 1 89 SER H 3.497 . 5.026 3.320 3.207 3.523 . 0 0 "[ . 1 .]" 1
437 1 88 LEU HB3 1 89 SER H 3.397 . 4.839 3.470 3.313 3.652 . 0 0 "[ . 1 .]" 1
438 1 88 LEU HG 1 89 SER H 4.089 . 6.179 4.871 4.810 4.936 . 0 0 "[ . 1 .]" 1
439 1 81 ILE MD 1 89 SER H 3.589 . 5.199 4.161 3.943 4.319 . 0 0 "[ . 1 .]" 1
440 1 81 ILE MD 1 88 LEU H 3.152 . 4.394 3.437 3.279 3.572 . 0 0 "[ . 1 .]" 1
441 1 88 LEU H 1 88 LEU HB3 3.055 . 4.222 3.564 3.551 3.574 . 0 0 "[ . 1 .]" 1
442 1 64 GLU HG3 1 88 LEU H 2.885 . 3.925 2.737 2.630 2.845 . 0 0 "[ . 1 .]" 1
443 1 87 ARG HD3 1 88 LEU H 4.717 . 7.498 4.968 3.684 5.404 . 0 0 "[ . 1 .]" 1
444 1 64 GLU HG2 1 88 LEU H 3.973 . 5.946 4.122 4.020 4.217 . 0 0 "[ . 1 .]" 1
445 1 87 ARG HA 1 88 LEU H 2.193 . 2.794 2.253 2.217 2.303 . 0 0 "[ . 1 .]" 1
446 1 82 SER H 1 87 ARG H 3.110 . 4.319 3.509 3.340 3.885 . 0 0 "[ . 1 .]" 1
447 1 85 ASP H 1 87 ARG H 3.564 . 5.151 3.401 2.997 3.929 . 0 0 "[ . 1 .]" 1
448 1 85 ASP HA 1 87 ARG H 3.957 . 5.915 4.282 3.985 4.572 . 0 0 "[ . 1 .]" 1
449 1 82 SER HB3 1 87 ARG H 2.384 . 3.094 2.399 2.011 3.056 . 0 0 "[ . 1 .]" 1
450 1 86 GLY HA3 1 87 ARG H 3.266 . 4.600 3.312 3.107 3.435 . 0 0 "[ . 1 .]" 1
451 1 87 ARG H 1 87 ARG HD2 4.059 . 6.118 4.186 3.962 4.814 . 0 0 "[ . 1 .]" 1
452 1 85 ASP HB2 1 87 ARG H 4.573 . 7.187 2.835 2.289 4.421 . 0 0 "[ . 1 .]" 1
453 1 87 ARG H 1 87 ARG HB2 2.261 . 2.900 2.388 2.308 2.492 . 0 0 "[ . 1 .]" 1
454 1 81 ILE MG 1 86 GLY H 3.684 . 5.380 3.735 3.595 3.846 . 0 0 "[ . 1 .]" 1
455 1 85 ASP HA 1 86 GLY H 3.172 . 4.429 3.344 3.153 3.448 . 0 0 "[ . 1 .]" 1
456 1 86 GLY H 1 86 GLY HA2 2.156 . 2.737 2.310 2.300 2.325 . 0 0 "[ . 1 .]" 1
457 1 86 GLY H 1 86 GLY HA3 2.641 . 3.513 2.872 2.849 2.897 . 0 0 "[ . 1 .]" 1
458 1 82 SER H 1 86 GLY H 3.927 . 5.855 4.152 3.883 4.439 . 0 0 "[ . 1 .]" 1
459 1 86 GLY H 1 87 ARG HD2 4.812 . 7.706 6.094 5.750 7.058 . 0 0 "[ . 1 .]" 1
460 1 84 LEU MD1 1 85 ASP H 4.299 . 6.609 4.293 4.216 4.582 . 0 0 "[ . 1 .]" 1
461 1 83 LYS HB3 1 85 ASP H 4.572 . 7.185 6.185 5.895 6.286 . 0 0 "[ . 1 .]" 1
462 1 84 LEU HB2 1 85 ASP H 2.256 . 2.892 2.332 2.264 2.505 . 0 0 "[ . 1 .]" 1
463 1 85 ASP H 1 85 ASP HB2 3.846 . 5.695 2.577 2.359 3.027 . 0 0 "[ . 1 .]" 1
464 1 85 ASP H 1 85 ASP HB3 2.975 . 4.081 3.661 2.926 3.830 . 0 0 "[ . 1 .]" 1
465 1 85 ASP H 1 86 GLY HA3 4.978 . 8.075 4.829 4.591 5.035 . 0 0 "[ . 1 .]" 1
466 1 82 SER HB3 1 85 ASP H 2.825 . 3.823 2.930 2.767 3.274 . 0 0 "[ . 1 .]" 1
467 1 85 ASP H 1 85 ASP HA 2.616 . 3.472 2.938 2.897 2.952 . 0 0 "[ . 1 .]" 1
468 1 84 LEU H 1 85 ASP H 2.538 . 3.343 2.552 2.465 2.672 . 0 0 "[ . 1 .]" 1
469 1 85 ASP H 1 86 GLY H 2.112 . 2.670 2.128 1.859 2.362 . 0 0 "[ . 1 .]" 1
470 1 84 LEU H 1 84 LEU HB2 2.090 . 2.636 2.443 2.341 2.504 . 0 0 "[ . 1 .]" 1
471 1 83 LYS H 1 84 LEU H 2.646 . 3.521 2.493 2.406 2.607 . 0 0 "[ . 1 .]" 1
472 1 83 LYS H 1 83 LYS HG2 2.626 . 3.488 3.550 3.317 3.937 0.449 8 0 "[ . 1 .]" 1
473 1 83 LYS H 1 83 LYS HB2 2.343 . 3.029 2.449 2.372 2.491 . 0 0 "[ . 1 .]" 1
474 1 82 SER HA 1 83 LYS H 2.264 . 2.905 2.155 2.137 2.176 . 0 0 "[ . 1 .]" 1
475 1 83 LYS H 1 83 LYS HA 2.918 . 3.982 2.857 2.850 2.861 . 0 0 "[ . 1 .]" 1
476 1 82 SER H 1 83 LYS H 4.224 . 6.455 4.515 4.488 4.564 . 0 0 "[ . 1 .]" 1
477 1 83 LYS H 1 86 GLY H 4.345 . 6.704 4.646 4.434 4.844 . 0 0 "[ . 1 .]" 1
478 1 81 ILE MG 1 82 SER H 2.597 . 3.440 2.668 2.586 2.726 . 0 0 "[ . 1 .]" 1
479 1 64 GLU H 1 64 GLU HG2 3.539 . 5.104 3.640 3.537 3.802 . 0 0 "[ . 1 .]" 1
480 1 64 GLU H 1 64 GLU HG3 2.444 . 3.190 2.492 2.363 2.631 . 0 0 "[ . 1 .]" 1
481 1 64 GLU H 1 64 GLU HB3 2.645 . 3.519 3.632 3.613 3.658 0.139 15 0 "[ . 1 .]" 1
482 1 64 GLU H 1 64 GLU HA 2.857 . 3.878 2.908 2.897 2.919 . 0 0 "[ . 1 .]" 1
483 1 64 GLU H 1 89 SER HA 3.220 . 4.516 3.626 3.455 3.765 . 0 0 "[ . 1 .]" 1
484 1 81 ILE HG13 1 82 SER H 4.428 . 6.879 5.324 5.273 5.397 . 0 0 "[ . 1 .]" 1
485 1 82 SER H 1 86 GLY HA2 2.079 . 6.000 3.924 3.616 4.195 . 0 0 "[ . 1 .]" 1
486 1 82 SER H 1 82 SER HA 2.632 . 3.498 2.847 2.803 2.907 . 0 0 "[ . 1 .]" 1
487 1 64 GLU H 1 90 CYS H 4.327 . 6.667 5.032 4.875 5.170 . 0 0 "[ . 1 .]" 1
488 1 80 PHE H 1 81 ILE H 4.026 . 6.052 4.388 4.379 4.402 . 0 0 "[ . 1 .]" 1
489 1 81 ILE H 1 81 ILE HA 2.923 . 3.991 2.896 2.879 2.909 . 0 0 "[ . 1 .]" 1
490 1 80 PHE HA 1 81 ILE H 2.379 . 3.087 2.436 2.408 2.464 . 0 0 "[ . 1 .]" 1
491 1 80 PHE HB3 1 81 ILE H 2.716 . 3.638 3.726 3.674 3.782 0.144 10 0 "[ . 1 .]" 1
492 1 81 ILE H 1 81 ILE HB 2.385 . 3.096 2.406 2.369 2.455 . 0 0 "[ . 1 .]" 1
493 1 81 ILE H 1 81 ILE HG12 2.605 . 3.454 2.606 2.482 2.747 . 0 0 "[ . 1 .]" 1
494 1 81 ILE H 1 81 ILE HG13 3.831 . 5.666 3.847 3.787 3.917 . 0 0 "[ . 1 .]" 1
495 1 80 PHE H 1 80 PHE QD 3.660 . 5.335 3.157 3.026 3.254 . 0 0 "[ . 1 .]" 1
496 1 79 LEU HA 1 80 PHE H 2.382 . 3.091 2.225 2.213 2.234 . 0 0 "[ . 1 .]" 1
497 1 80 PHE H 1 80 PHE HA 2.983 . 4.096 2.907 2.901 2.914 . 0 0 "[ . 1 .]" 1
498 1 80 PHE H 1 80 PHE HB2 3.205 . 4.489 3.892 3.865 3.917 . 0 0 "[ . 1 .]" 1
499 1 79 LEU HB3 1 80 PHE H 4.037 . 6.074 3.872 3.822 3.915 . 0 0 "[ . 1 .]" 1
500 1 79 LEU HB2 1 80 PHE H 3.649 . 5.314 4.244 4.213 4.280 . 0 0 "[ . 1 .]" 1
501 1 79 LEU MD1 1 80 PHE H 3.049 . 4.211 2.643 2.492 2.876 . 0 0 "[ . 1 .]" 1
502 1 79 LEU H 1 79 LEU HB3 2.641 . 3.513 2.730 2.660 2.796 . 0 0 "[ . 1 .]" 1
503 1 78 MET HB3 1 79 LEU H 3.675 . 5.364 3.771 3.669 3.876 . 0 0 "[ . 1 .]" 1
504 1 78 MET HA 1 79 LEU H 4.020 . 6.040 3.521 3.480 3.547 . 0 0 "[ . 1 .]" 1
505 1 77 GLY H 1 79 LEU H 4.689 . 7.437 3.775 3.648 3.893 . 0 0 "[ . 1 .]" 1
506 1 77 GLY HA3 1 78 MET H 3.301 . 4.663 3.171 2.988 3.411 . 0 0 "[ . 1 .]" 1
507 1 78 MET H 1 78 MET HG3 2.822 . 3.817 4.046 3.853 4.214 0.397 9 0 "[ . 1 .]" 1
508 1 78 MET H 1 91 THR MG 4.212 . 6.429 4.454 4.296 4.659 . 0 0 "[ . 1 .]" 1
509 1 78 MET H 1 78 MET HB2 2.809 . 3.795 2.525 2.456 2.577 . 0 0 "[ . 1 .]" 1
510 1 78 MET H 1 79 LEU H 2.462 . 3.220 2.152 2.008 2.311 . 0 0 "[ . 1 .]" 1
511 1 77 GLY H 1 78 MET H 3.089 . 4.282 2.814 2.647 3.042 . 0 0 "[ . 1 .]" 1
512 1 76 GLU HA 1 77 GLY H 2.366 . 3.066 2.151 2.133 2.165 . 0 0 "[ . 1 .]" 1
513 1 31 HIS HB3 1 33 ASP H 2.419 . 3.150 2.588 2.486 2.731 . 0 0 "[ . 1 .]" 1
514 1 32 ALA MB 1 33 ASP H 2.485 . 3.257 2.746 2.721 2.767 . 0 0 "[ . 1 .]" 1
515 1 33 ASP H 1 34 CYS H 2.685 . 3.586 2.748 2.725 2.809 . 0 0 "[ . 1 .]" 1
516 1 25 GLY H 1 26 CYS H 3.028 . 4.174 2.549 2.199 2.842 . 0 0 "[ . 1 .]" 1
517 1 32 ALA H 1 33 ASP H 2.690 . 3.595 2.549 2.463 2.596 . 0 0 "[ . 1 .]" 1
518 1 76 GLU H 1 76 GLU HA 2.774 . 3.736 2.827 2.815 2.834 . 0 0 "[ . 1 .]" 1
519 1 75 ARG HA 1 76 GLU H 3.351 . 4.755 3.440 3.381 3.478 . 0 0 "[ . 1 .]" 1
520 1 76 GLU H 1 76 GLU HB2 2.195 . 2.797 2.417 2.337 2.532 . 0 0 "[ . 1 .]" 1
521 1 75 ARG HG3 1 76 GLU H 3.028 . 4.174 2.884 2.640 3.124 . 0 0 "[ . 1 .]" 1
522 1 75 ARG H 1 75 ARG HD3 4.291 . 6.593 4.076 4.004 4.139 . 0 0 "[ . 1 .]" 1
523 1 75 ARG H 1 75 ARG HA 2.773 . 3.734 2.906 2.890 2.919 . 0 0 "[ . 1 .]" 1
524 1 75 ARG H 1 76 GLU HA 4.823 . 7.730 4.873 4.801 4.995 . 0 0 "[ . 1 .]" 1
525 1 74 HIS HA 1 75 ARG H 3.273 . 4.612 3.151 3.064 3.250 . 0 0 "[ . 1 .]" 1
526 1 75 ARG H 1 76 GLU H 2.518 . 3.311 2.262 2.203 2.345 . 0 0 "[ . 1 .]" 1
527 1 73 GLN HA 1 74 HIS H 3.441 . 4.921 3.541 3.525 3.552 . 0 0 "[ . 1 .]" 1
528 1 74 HIS H 1 74 HIS HB3 3.656 . 5.327 3.678 3.658 3.714 . 0 0 "[ . 1 .]" 1
529 1 74 HIS H 1 74 HIS HB2 2.590 . 3.428 2.490 2.449 2.538 . 0 0 "[ . 1 .]" 1
530 1 71 CYS HB2 1 74 HIS H 3.997 . 5.994 4.168 4.118 4.201 . 0 0 "[ . 1 .]" 1
531 1 71 CYS H 1 74 HIS H 3.811 . 5.627 3.473 3.391 3.562 . 0 0 "[ . 1 .]" 1
532 1 73 GLN HG2 1 74 HIS H 4.643 . 7.338 4.535 3.822 5.148 . 0 0 "[ . 1 .]" 1
533 1 72 LYS HG2 1 74 HIS H 4.765 . 7.603 6.827 6.664 7.004 . 0 0 "[ . 1 .]" 1
534 1 73 GLN H 1 73 GLN HG3 3.596 . 5.212 3.487 2.282 4.471 . 0 0 "[ . 1 .]" 1
535 1 73 GLN H 1 73 GLN HB2 2.241 . 2.869 2.416 2.216 2.566 . 0 0 "[ . 1 .]" 1
536 1 71 CYS HB2 1 73 GLN H 3.339 . 4.732 3.196 3.064 3.318 . 0 0 "[ . 1 .]" 1
537 1 72 LYS HA 1 73 GLN H 2.945 . 4.029 3.495 3.465 3.528 . 0 0 "[ . 1 .]" 1
538 1 73 GLN H 1 73 GLN HA 2.678 . 3.574 2.856 2.829 2.880 . 0 0 "[ . 1 .]" 1
539 1 71 CYS HA 1 73 GLN H 3.546 . 5.118 4.403 4.273 4.555 . 0 0 "[ . 1 .]" 1
540 1 73 GLN H 1 74 HIS H 2.482 . 3.252 2.556 2.455 2.631 . 0 0 "[ . 1 .]" 1
541 1 72 LYS H 1 73 GLN H 2.715 . 3.637 2.723 2.570 2.783 . 0 0 "[ . 1 .]" 1
542 1 71 CYS HA 1 72 LYS H 2.243 . 2.872 2.577 2.537 2.636 . 0 0 "[ . 1 .]" 1
543 1 71 CYS HB3 1 72 LYS H 3.380 . 4.808 3.732 3.664 3.798 . 0 0 "[ . 1 .]" 1
544 1 71 CYS HB2 1 72 LYS H 2.506 . 3.291 2.257 2.160 2.352 . 0 0 "[ . 1 .]" 1
545 1 72 LYS H 1 72 LYS HB2 2.370 . 3.072 2.479 2.431 2.541 . 0 0 "[ . 1 .]" 1
546 1 72 LYS H 1 72 LYS HG3 2.267 . 2.909 2.225 2.127 2.362 . 0 0 "[ . 1 .]" 1
547 1 70 PHE HA 1 71 CYS H 2.430 . 3.168 2.264 2.240 2.298 . 0 0 "[ . 1 .]" 1
548 1 52 CYS HA 1 71 CYS H 3.607 . 5.233 3.507 3.419 3.554 . 0 0 "[ . 1 .]" 1
549 1 52 CYS HB2 1 71 CYS H 2.554 . 3.369 2.438 2.339 2.530 . 0 0 "[ . 1 .]" 1
550 1 70 PHE HB3 1 71 CYS H 3.750 . 5.508 2.734 2.685 2.778 . 0 0 "[ . 1 .]" 1
551 1 70 PHE HB2 1 71 CYS H 3.189 . 4.460 3.806 3.755 3.850 . 0 0 "[ . 1 .]" 1
552 1 55 CYS H 1 71 CYS H 3.908 . 5.817 4.906 4.867 4.978 . 0 0 "[ . 1 .]" 1
553 1 70 PHE H 1 71 CYS H 4.130 . 6.262 4.408 4.392 4.426 . 0 0 "[ . 1 .]" 1
554 1 70 PHE H 1 70 PHE HB2 3.811 . 5.626 2.785 2.750 2.805 . 0 0 "[ . 1 .]" 1
555 1 69 SER HB3 1 70 PHE H 3.819 . 5.642 3.698 3.543 3.761 . 0 0 "[ . 1 .]" 1
556 1 61 SER HB2 1 70 PHE H 3.638 . 5.292 4.853 4.431 5.160 . 0 0 "[ . 1 .]" 1
557 1 69 SER HA 1 70 PHE H 2.522 . 3.317 2.439 2.341 2.524 . 0 0 "[ . 1 .]" 1
558 1 70 PHE H 1 71 CYS HA 4.107 . 6.216 4.894 4.834 4.940 . 0 0 "[ . 1 .]" 1
559 1 62 PHE QD 1 70 PHE H 4.611 . 7.269 4.280 3.695 4.706 . 0 0 "[ . 1 .]" 1
560 1 61 SER H 1 70 PHE H 3.035 . 4.187 3.363 3.209 3.586 . 0 0 "[ . 1 .]" 1
561 1 62 PHE QE 1 70 PHE H 3.511 . 6.000 5.496 5.215 5.757 . 0 0 "[ . 1 .]" 1
562 1 63 CYS H 1 70 PHE H 4.625 . 7.299 4.426 4.218 4.644 . 0 0 "[ . 1 .]" 1
563 1 61 SER HG 1 70 PHE H 3.547 . 5.120 3.409 2.444 4.385 . 0 0 "[ . 1 .]" 1
564 1 59 ALA MB 1 70 PHE H 2.882 . 3.920 2.725 2.600 2.883 . 0 0 "[ . 1 .]" 1
565 1 49 TRP HD1 1 69 SER H 3.691 . 5.394 3.852 3.521 4.117 . 0 0 "[ . 1 .]" 1
566 1 53 ASP H 1 69 SER H 3.346 . 4.745 3.533 3.415 3.691 . 0 0 "[ . 1 .]" 1
567 1 68 SER HA 1 69 SER H 2.228 . 2.849 2.179 2.123 2.263 . 0 0 "[ . 1 .]" 1
568 1 69 SER H 1 69 SER HA 2.976 . 4.083 2.933 2.917 2.945 . 0 0 "[ . 1 .]" 1
569 1 68 SER HB3 1 69 SER H 3.405 . 4.854 3.805 3.369 4.075 . 0 0 "[ . 1 .]" 1
570 1 68 SER HB2 1 69 SER H 4.028 . 6.056 4.388 4.193 4.479 . 0 0 "[ . 1 .]" 1
571 1 53 ASP HB2 1 69 SER H 3.593 . 5.206 3.214 3.111 3.339 . 0 0 "[ . 1 .]" 1
572 1 53 ASP HB3 1 69 SER H 4.234 . 6.474 4.492 4.131 4.756 . 0 0 "[ . 1 .]" 1
573 1 69 SER H 1 69 SER HB3 3.808 . 5.620 3.166 3.014 3.379 . 0 0 "[ . 1 .]" 1
574 1 68 SER H 1 68 SER HA 2.968 . 4.069 2.906 2.875 2.928 . 0 0 "[ . 1 .]" 1
575 1 67 PRO HA 1 68 SER H 3.282 . 4.628 3.189 3.059 3.297 . 0 0 "[ . 1 .]" 1
576 1 68 SER H 1 68 SER HG 3.568 . 5.160 3.362 2.443 3.840 . 0 0 "[ . 1 .]" 1
577 1 68 SER H 1 68 SER HB3 3.336 . 4.727 3.656 3.634 3.688 . 0 0 "[ . 1 .]" 1
578 1 68 SER H 1 68 SER HB2 2.720 . 3.645 2.535 2.464 2.571 . 0 0 "[ . 1 .]" 1
579 1 67 PRO HG2 1 68 SER H 4.074 . 6.149 4.984 4.839 5.228 . 0 0 "[ . 1 .]" 1
580 1 68 SER H 1 69 SER H 4.541 . 7.118 4.187 3.964 4.432 . 0 0 "[ . 1 .]" 1
581 1 66 CYS H 1 68 SER H 3.712 . 5.435 4.056 3.903 4.170 . 0 0 "[ . 1 .]" 1
582 1 64 GLU H 1 65 MET H 2.714 . 3.635 2.680 2.574 2.766 . 0 0 "[ . 1 .]" 1
583 1 64 GLU HA 1 65 MET H 3.304 . 4.668 3.086 3.033 3.174 . 0 0 "[ . 1 .]" 1
584 1 63 CYS HA 1 65 MET H 3.433 . 4.906 3.635 3.557 3.781 . 0 0 "[ . 1 .]" 1
585 1 65 MET H 1 66 CYS HB3 4.748 . 7.565 4.578 4.502 4.644 . 0 0 "[ . 1 .]" 1
586 1 65 MET H 1 65 MET HG2 2.921 . 3.987 4.081 3.993 4.162 0.175 8 0 "[ . 1 .]" 1
587 1 65 MET H 1 65 MET HB2 3.823 . 5.650 2.669 2.567 2.736 . 0 0 "[ . 1 .]" 1
588 1 65 MET H 1 65 MET HB3 2.723 . 3.650 3.796 3.737 3.836 0.186 1 0 "[ . 1 .]" 1
589 1 63 CYS H 1 79 LEU MD2 3.026 . 4.171 3.476 3.238 3.685 . 0 0 "[ . 1 .]" 1
590 1 63 CYS H 1 69 SER HB3 3.939 . 5.879 3.430 3.203 3.638 . 0 0 "[ . 1 .]" 1
591 1 62 PHE HB3 1 63 CYS H 4.404 . 6.829 3.435 3.307 3.646 . 0 0 "[ . 1 .]" 1
592 1 49 TRP HD1 1 63 CYS H 4.341 . 6.696 4.340 4.212 4.642 . 0 0 "[ . 1 .]" 1
593 1 49 TRP HE1 1 63 CYS H 3.639 . 5.294 3.237 2.977 3.370 . 0 0 "[ . 1 .]" 1
594 1 62 PHE H 1 88 LEU MD1 2.774 . 3.736 2.611 2.355 2.935 . 0 0 "[ . 1 .]" 1
595 1 62 PHE H 1 62 PHE HB3 2.833 . 3.837 3.794 3.746 3.838 0.001 12 0 "[ . 1 .]" 1
596 1 61 SER HB2 1 62 PHE H 2.923 . 3.991 2.898 2.726 3.137 . 0 0 "[ . 1 .]" 1
597 1 61 SER HA 1 62 PHE H 2.398 . 3.117 2.262 2.193 2.317 . 0 0 "[ . 1 .]" 1
598 1 62 PHE H 1 62 PHE HA 2.929 . 4.001 2.949 2.944 2.952 . 0 0 "[ . 1 .]" 1
599 1 62 PHE H 1 62 PHE QE 4.190 . 6.385 4.515 4.373 4.650 . 0 0 "[ . 1 .]" 1
600 1 62 PHE H 1 62 PHE QD 3.274 . 4.614 3.054 2.940 3.270 . 0 0 "[ . 1 .]" 1
601 1 62 PHE H 1 63 CYS H 4.283 . 6.576 4.351 4.205 4.458 . 0 0 "[ . 1 .]" 1
602 1 60 ALA H 1 61 SER H 2.122 . 2.685 2.023 1.952 2.090 . 0 0 "[ . 1 .]" 1
603 1 61 SER H 1 71 CYS HA 3.898 . 5.797 3.786 3.565 3.929 . 0 0 "[ . 1 .]" 1
604 1 61 SER H 1 61 SER HB2 3.512 . 5.054 3.725 3.674 3.791 . 0 0 "[ . 1 .]" 1
605 1 59 ALA HA 1 61 SER H 3.986 . 5.972 3.941 3.800 4.091 . 0 0 "[ . 1 .]" 1
606 1 61 SER H 1 61 SER HB3 2.684 . 3.585 3.138 3.037 3.251 . 0 0 "[ . 1 .]" 1
607 1 61 SER H 1 75 ARG HD3 3.378 . 4.804 3.679 3.485 4.131 . 0 0 "[ . 1 .]" 1
608 1 59 ALA MB 1 61 SER H 3.203 . 4.486 3.242 3.056 3.430 . 0 0 "[ . 1 .]" 1
609 1 60 ALA MB 1 61 SER H 2.791 . 3.765 2.666 2.545 2.768 . 0 0 "[ . 1 .]" 1
610 1 59 ALA HA 1 60 ALA H 2.309 . 2.976 2.221 2.176 2.284 . 0 0 "[ . 1 .]" 1
611 1 59 ALA MB 1 60 ALA H 3.004 . 4.132 2.771 2.577 2.956 . 0 0 "[ . 1 .]" 1
612 1 60 ALA H 1 60 ALA MB 2.404 . 3.126 2.378 2.333 2.432 . 0 0 "[ . 1 .]" 1
613 1 60 ALA H 1 75 ARG HD3 3.364 . 4.778 4.361 4.085 4.794 0.016 8 0 "[ . 1 .]" 1
614 1 59 ALA H 1 60 ALA H 4.216 . 6.438 4.562 4.536 4.582 . 0 0 "[ . 1 .]" 1
615 1 60 ALA H 1 75 ARG HD2 4.567 . 7.175 5.720 5.276 6.194 . 0 0 "[ . 1 .]" 1
616 1 51 GLN HA 1 59 ALA H 2.787 . 3.758 2.892 2.669 3.287 . 0 0 "[ . 1 .]" 1
617 1 58 GLU HA 1 59 ALA H 2.110 . 2.667 2.141 2.101 2.160 . 0 0 "[ . 1 .]" 1
618 1 59 ALA H 1 59 ALA HA 2.734 . 3.668 2.896 2.856 2.925 . 0 0 "[ . 1 .]" 1
619 1 51 GLN HG2 1 59 ALA H 3.508 . 6.000 5.088 4.857 5.292 . 0 0 "[ . 1 .]" 1
620 1 59 ALA H 1 59 ALA MB 2.297 . 2.956 2.260 2.213 2.309 . 0 0 "[ . 1 .]" 1
621 1 58 GLU H 1 59 ALA H 3.987 . 5.974 4.520 4.460 4.574 . 0 0 "[ . 1 .]" 1
622 1 57 LYS HA 1 58 GLU H 2.430 . 3.168 2.608 2.396 2.716 . 0 0 "[ . 1 .]" 1
623 1 58 GLU H 1 58 GLU HA 2.510 . 3.297 2.778 2.720 2.810 . 0 0 "[ . 1 .]" 1
624 1 58 GLU H 1 58 GLU HG2 3.864 . 5.730 4.192 2.057 4.596 . 0 0 "[ . 1 .]" 1
625 1 57 LYS HB3 1 58 GLU H 2.465 . 3.224 2.021 1.837 2.438 . 0 0 "[ . 1 .]" 1
626 1 57 LYS H 1 57 LYS HA 2.642 . 3.514 2.892 2.810 2.931 . 0 0 "[ . 1 .]" 1
627 1 56 GLY HA3 1 57 LYS H 3.366 . 4.782 3.304 3.182 3.419 . 0 0 "[ . 1 .]" 1
628 1 52 CYS HB2 1 57 LYS H 3.444 . 4.927 3.901 3.725 3.995 . 0 0 "[ . 1 .]" 1
629 1 52 CYS HB3 1 57 LYS H 2.672 . 3.564 2.491 2.296 2.591 . 0 0 "[ . 1 .]" 1
630 1 52 CYS H 1 57 LYS H 3.767 . 5.541 3.580 3.231 3.779 . 0 0 "[ . 1 .]" 1
631 1 55 CYS HA 1 56 GLY H 3.516 . 5.061 3.363 3.288 3.435 . 0 0 "[ . 1 .]" 1
632 1 51 GLN HA 1 56 GLY H 4.967 . 8.052 5.695 5.503 5.842 . 0 0 "[ . 1 .]" 1
633 1 56 GLY H 1 56 GLY HA2 2.424 . 3.159 2.313 2.297 2.336 . 0 0 "[ . 1 .]" 1
634 1 56 GLY H 1 56 GLY HA3 2.777 . 3.741 2.875 2.839 2.905 . 0 0 "[ . 1 .]" 1
635 1 52 CYS HB2 1 56 GLY H 3.879 . 5.759 4.310 4.205 4.473 . 0 0 "[ . 1 .]" 1
636 1 52 CYS HB3 1 56 GLY H 2.646 . 3.521 2.600 2.487 2.776 . 0 0 "[ . 1 .]" 1
637 1 54 VAL MG1 1 56 GLY H 4.787 . 7.651 4.875 4.793 4.979 . 0 0 "[ . 1 .]" 1
638 1 55 CYS H 1 56 GLY H 2.407 . 3.131 2.166 2.069 2.207 . 0 0 "[ . 1 .]" 1
639 1 52 CYS H 1 56 GLY H 3.944 . 5.888 3.971 3.852 4.122 . 0 0 "[ . 1 .]" 1
640 1 55 CYS H 1 56 GLY HA2 4.918 . 7.942 4.469 4.392 4.510 . 0 0 "[ . 1 .]" 1
641 1 55 CYS H 1 56 GLY HA3 4.359 . 6.734 4.859 4.782 4.895 . 0 0 "[ . 1 .]" 1
642 1 52 CYS HB2 1 55 CYS H 3.749 . 5.506 4.131 3.991 4.237 . 0 0 "[ . 1 .]" 1
643 1 55 CYS H 1 57 LYS H 3.724 . 5.458 3.649 3.582 3.739 . 0 0 "[ . 1 .]" 1
644 1 54 VAL HB 1 55 CYS H 2.321 . 2.994 2.440 2.336 2.539 . 0 0 "[ . 1 .]" 1
645 1 54 VAL MG1 1 55 CYS H 3.225 . 4.525 3.254 3.153 3.378 . 0 0 "[ . 1 .]" 1
646 1 54 VAL MG2 1 55 CYS H 3.889 . 5.780 3.800 3.745 3.838 . 0 0 "[ . 1 .]" 1
647 1 54 VAL H 1 54 VAL HB 2.437 . 3.179 2.527 2.509 2.546 . 0 0 "[ . 1 .]" 1
648 1 54 VAL H 1 54 VAL MG2 2.580 . 3.412 2.351 2.266 2.386 . 0 0 "[ . 1 .]" 1
649 1 54 VAL H 1 54 VAL MG1 3.679 . 5.371 3.791 3.773 3.802 . 0 0 "[ . 1 .]" 1
650 1 53 ASP HA 1 54 VAL H 3.428 . 4.897 3.417 3.344 3.445 . 0 0 "[ . 1 .]" 1
651 1 54 VAL H 1 54 VAL HA 2.906 . 3.962 2.899 2.875 2.910 . 0 0 "[ . 1 .]" 1
652 1 52 CYS HB2 1 54 VAL H 3.858 . 5.719 4.422 4.357 4.513 . 0 0 "[ . 1 .]" 1
653 1 54 VAL H 1 55 CYS HB3 3.989 . 5.978 5.312 5.177 5.399 . 0 0 "[ . 1 .]" 1
654 1 53 ASP HB3 1 54 VAL H 3.486 . 5.005 3.183 3.082 3.385 . 0 0 "[ . 1 .]" 1
655 1 54 VAL H 1 55 CYS H 2.559 . 3.377 2.537 2.483 2.618 . 0 0 "[ . 1 .]" 1
656 1 53 ASP H 1 54 VAL H 2.892 . 3.938 2.676 2.620 2.725 . 0 0 "[ . 1 .]" 1
657 1 53 ASP H 1 70 PHE HA 3.135 . 4.363 3.050 2.937 3.191 . 0 0 "[ . 1 .]" 1
658 1 53 ASP H 1 71 CYS H 4.472 . 6.972 4.827 4.681 4.949 . 0 0 "[ . 1 .]" 1
659 1 52 CYS HA 1 53 ASP H 2.262 . 2.902 2.135 2.114 2.161 . 0 0 "[ . 1 .]" 1
660 1 52 CYS HB2 1 53 ASP H 4.357 . 6.730 4.291 4.241 4.326 . 0 0 "[ . 1 .]" 1
661 1 53 ASP H 1 70 PHE HB3 4.782 . 7.640 5.060 4.854 5.247 . 0 0 "[ . 1 .]" 1
662 1 53 ASP H 1 53 ASP HB2 2.883 . 3.922 2.488 2.405 2.557 . 0 0 "[ . 1 .]" 1
663 1 53 ASP H 1 53 ASP HB3 2.844 . 3.855 2.589 2.505 2.696 . 0 0 "[ . 1 .]" 1
664 1 53 ASP H 1 54 VAL HB 4.601 . 7.247 4.990 4.922 5.044 . 0 0 "[ . 1 .]" 1
665 1 53 ASP H 1 54 VAL MG2 3.977 . 5.954 3.907 3.765 3.998 . 0 0 "[ . 1 .]" 1
666 1 53 ASP H 1 59 ALA MB 4.366 . 6.748 4.391 4.315 4.467 . 0 0 "[ . 1 .]" 1
667 1 51 GLN HA 1 52 CYS H 2.254 . 2.889 2.140 2.094 2.179 . 0 0 "[ . 1 .]" 1
668 1 52 CYS H 1 52 CYS HA 2.863 . 3.887 2.828 2.802 2.846 . 0 0 "[ . 1 .]" 1
669 1 52 CYS H 1 52 CYS HB2 2.561 . 3.381 2.535 2.482 2.569 . 0 0 "[ . 1 .]" 1
670 1 52 CYS H 1 52 CYS HB3 2.445 . 3.192 2.455 2.425 2.493 . 0 0 "[ . 1 .]" 1
671 1 51 GLN HG3 1 52 CYS H 4.705 . 7.473 5.263 5.123 5.390 . 0 0 "[ . 1 .]" 1
672 1 51 GLN HG2 1 52 CYS H 3.937 . 5.875 4.945 4.885 5.031 . 0 0 "[ . 1 .]" 1
673 1 51 GLN HB2 1 52 CYS H 3.213 . 4.503 4.046 3.929 4.143 . 0 0 "[ . 1 .]" 1
674 1 52 CYS H 1 59 ALA MB 3.484 . 5.001 2.953 2.765 3.179 . 0 0 "[ . 1 .]" 1
675 1 52 CYS H 1 59 ALA H 3.564 . 5.152 3.649 3.519 3.921 . 0 0 "[ . 1 .]" 1
676 1 51 GLN H 1 51 GLN HA 2.840 . 3.848 2.942 2.938 2.945 . 0 0 "[ . 1 .]" 1
677 1 51 GLN H 1 51 GLN HG3 4.413 . 6.847 4.117 3.997 4.207 . 0 0 "[ . 1 .]" 1
678 1 50 HIS HB2 1 51 GLN H 3.936 . 5.873 3.657 3.568 3.758 . 0 0 "[ . 1 .]" 1
679 1 51 GLN H 1 51 GLN HG2 2.665 . 3.553 2.878 2.751 2.971 . 0 0 "[ . 1 .]" 1
680 1 51 GLN H 1 51 GLN HB3 3.248 . 4.567 3.779 3.761 3.797 . 0 0 "[ . 1 .]" 1
681 1 51 GLN H 1 59 ALA MB 3.355 . 4.762 3.287 3.151 3.444 . 0 0 "[ . 1 .]" 1
682 1 50 HIS HD2 1 51 GLN H 4.616 . 7.279 6.086 5.892 6.283 . 0 0 "[ . 1 .]" 1
683 1 18 LEU HA 1 19 VAL H 2.231 . 2.853 2.165 2.119 2.229 . 0 0 "[ . 1 .]" 1
684 1 19 VAL H 1 19 VAL HB 2.982 . 4.093 3.138 3.013 3.265 . 0 0 "[ . 1 .]" 1
685 1 19 VAL H 1 29 VAL HB 4.010 . 6.020 5.923 5.714 6.111 0.091 3 0 "[ . 1 .]" 1
686 1 18 LEU HB2 1 19 VAL H 3.803 . 5.611 3.998 3.872 4.159 . 0 0 "[ . 1 .]" 1
687 1 18 LEU HB3 1 19 VAL H 2.738 . 3.675 2.977 2.703 3.221 . 0 0 "[ . 1 .]" 1
688 1 19 VAL H 1 19 VAL MG1 2.305 . 2.969 2.068 2.001 2.166 . 0 0 "[ . 1 .]" 1
689 1 18 LEU HG 1 19 VAL H 4.276 . 6.562 4.907 4.800 4.975 . 0 0 "[ . 1 .]" 1
690 1 18 LEU MD2 1 19 VAL H 3.536 . 5.099 3.495 3.268 3.605 . 0 0 "[ . 1 .]" 1
691 1 50 HIS H 1 50 HIS HB3 3.965 . 5.930 3.718 3.687 3.742 . 0 0 "[ . 1 .]" 1
692 1 50 HIS H 1 50 HIS HB2 2.725 . 3.653 2.604 2.560 2.664 . 0 0 "[ . 1 .]" 1
693 1 49 TRP HB3 1 50 HIS H 3.379 . 4.806 3.414 3.226 3.528 . 0 0 "[ . 1 .]" 1
694 1 50 HIS H 1 51 GLN HG2 3.642 . 5.300 3.336 3.184 3.529 . 0 0 "[ . 1 .]" 1
695 1 50 HIS H 1 51 GLN HB3 4.807 . 7.695 5.513 5.451 5.637 . 0 0 "[ . 1 .]" 1
696 1 49 TRP H 1 50 HIS H 2.885 . 3.925 2.465 2.410 2.530 . 0 0 "[ . 1 .]" 1
697 1 50 HIS H 1 50 HIS HD2 3.231 . 4.536 4.280 4.077 4.472 . 0 0 "[ . 1 .]" 1
698 1 49 TRP HA 1 50 HIS H 3.899 . 5.799 3.331 3.266 3.417 . 0 0 "[ . 1 .]" 1
699 1 50 HIS H 1 59 ALA MB 4.228 . 6.463 4.514 4.401 4.690 . 0 0 "[ . 1 .]" 1
700 1 47 CYS H 1 47 CYS HB3 3.948 . 5.896 2.440 2.412 2.483 . 0 0 "[ . 1 .]" 1
701 1 21 CYS HB2 1 47 CYS H 4.211 . 6.428 3.842 3.497 4.363 . 0 0 "[ . 1 .]" 1
702 1 21 CYS HA 1 47 CYS H 3.864 . 5.731 3.898 3.614 4.429 . 0 0 "[ . 1 .]" 1
703 1 45 TRP HD1 1 46 GLU H 3.427 . 4.895 3.465 3.064 3.961 . 0 0 "[ . 1 .]" 1
704 1 44 LYS HG3 1 45 TRP H 4.413 . 6.847 4.904 3.297 5.502 . 0 0 "[ . 1 .]" 1
705 1 42 ALA MB 1 43 GLY H 3.532 . 5.091 2.960 2.579 3.352 . 0 0 "[ . 1 .]" 1
706 1 42 ALA HA 1 43 GLY H 2.617 . 3.473 2.221 2.172 2.332 . 0 0 "[ . 1 .]" 1
707 1 42 ALA H 1 42 ALA HA 2.869 . 3.898 2.940 2.930 2.946 . 0 0 "[ . 1 .]" 1
708 1 41 PRO HA 1 42 ALA H 2.259 . 2.897 2.189 2.145 2.358 . 0 0 "[ . 1 .]" 1
709 1 42 ALA H 1 45 TRP HB2 4.569 . 7.178 4.841 4.289 5.307 . 0 0 "[ . 1 .]" 1
710 1 42 ALA H 1 42 ALA MB 2.318 . 2.989 2.464 2.335 2.574 . 0 0 "[ . 1 .]" 1
711 1 39 LYS H 1 39 LYS HB3 2.999 . 4.123 3.197 2.332 3.790 . 0 0 "[ . 1 .]" 1
712 1 39 LYS H 1 39 LYS HA 2.725 . 3.653 2.927 2.897 2.942 . 0 0 "[ . 1 .]" 1
713 1 38 THR H 1 39 LYS H 2.936 . 4.014 2.516 2.428 2.596 . 0 0 "[ . 1 .]" 1
714 1 37 LEU HA 1 38 THR H 2.669 . 3.559 2.366 2.192 2.468 . 0 0 "[ . 1 .]" 1
715 1 38 THR H 1 38 THR MG 3.411 . 4.865 3.680 2.814 3.763 . 0 0 "[ . 1 .]" 1
716 1 37 LEU H 1 37 LEU HA 2.370 . 3.072 2.883 2.856 2.897 . 0 0 "[ . 1 .]" 1
717 1 37 LEU H 1 37 LEU HB2 2.236 . 2.861 2.392 2.362 2.426 . 0 0 "[ . 1 .]" 1
718 1 36 ASN HB2 1 37 LEU H 3.780 . 5.566 4.375 4.155 4.615 . 0 0 "[ . 1 .]" 1
719 1 32 ALA HA 1 37 LEU H 3.785 . 5.576 3.822 3.644 3.931 . 0 0 "[ . 1 .]" 1
720 1 35 LEU H 1 37 LEU H 3.683 . 5.379 3.704 3.504 3.830 . 0 0 "[ . 1 .]" 1
721 1 35 LEU MD1 1 36 ASN H 4.314 . 6.640 5.084 5.024 5.152 . 0 0 "[ . 1 .]" 1
722 1 36 ASN H 1 36 ASN HB3 3.253 . 4.576 3.894 3.647 4.114 . 0 0 "[ . 1 .]" 1
723 1 36 ASN H 1 36 ASN HB2 3.613 . 5.244 3.318 3.074 3.584 . 0 0 "[ . 1 .]" 1
724 1 36 ASN H 1 36 ASN HA 2.182 . 2.777 2.258 2.250 2.266 . 0 0 "[ . 1 .]" 1
725 1 35 LEU H 1 36 ASN H 2.590 . 3.428 2.403 2.310 2.476 . 0 0 "[ . 1 .]" 1
726 1 35 LEU H 1 35 LEU MD1 3.544 . 5.114 3.639 3.574 3.723 . 0 0 "[ . 1 .]" 1
727 1 35 LEU H 1 35 LEU HB2 2.333 . 3.013 2.412 2.374 2.489 . 0 0 "[ . 1 .]" 1
728 1 35 LEU H 1 35 LEU HA 2.839 . 3.847 2.897 2.885 2.917 . 0 0 "[ . 1 .]" 1
729 1 32 ALA HA 1 35 LEU H 3.357 . 4.765 3.595 3.507 3.720 . 0 0 "[ . 1 .]" 1
730 1 34 CYS HB3 1 35 LEU H 3.401 . 4.846 4.285 4.239 4.347 . 0 0 "[ . 1 .]" 1
731 1 33 ASP HA 1 34 CYS H 3.379 . 4.806 3.574 3.565 3.582 . 0 0 "[ . 1 .]" 1
732 1 34 CYS H 1 34 CYS HA 2.943 . 4.026 2.860 2.844 2.873 . 0 0 "[ . 1 .]" 1
733 1 31 HIS HB2 1 34 CYS H 2.399 . 3.118 2.285 2.217 2.376 . 0 0 "[ . 1 .]" 1
734 1 34 CYS H 1 35 LEU HB3 4.677 . 7.412 6.037 5.988 6.102 . 0 0 "[ . 1 .]" 1
735 1 34 CYS H 1 35 LEU MD1 4.327 . 6.667 5.047 4.958 5.194 . 0 0 "[ . 1 .]" 1
736 1 31 HIS H 1 34 CYS H 4.268 . 6.545 4.297 4.192 4.397 . 0 0 "[ . 1 .]" 1
737 1 34 CYS H 1 36 ASN H 4.154 . 6.311 3.883 3.805 3.985 . 0 0 "[ . 1 .]" 1
738 1 33 ASP H 1 33 ASP HA 2.742 . 3.682 2.822 2.807 2.830 . 0 0 "[ . 1 .]" 1
739 1 31 HIS HA 1 32 ALA H 2.184 . 2.780 2.227 2.180 2.257 . 0 0 "[ . 1 .]" 1
740 1 32 ALA H 1 32 ALA HA 2.485 . 3.257 2.816 2.798 2.833 . 0 0 "[ . 1 .]" 1
741 1 32 ALA H 1 33 ASP HB2 4.709 . 7.481 5.037 4.545 6.155 . 0 0 "[ . 1 .]" 1
742 1 32 ALA H 1 32 ALA MB 2.119 . 2.680 2.229 2.223 2.236 . 0 0 "[ . 1 .]" 1
743 1 19 VAL MG1 1 32 ALA H 2.821 . 3.816 2.901 2.706 3.120 . 0 0 "[ . 1 .]" 1
744 1 32 ALA H 1 34 CYS H 4.447 . 6.918 4.447 4.370 4.535 . 0 0 "[ . 1 .]" 1
745 1 31 HIS H 1 32 ALA H 4.418 . 6.857 4.550 4.518 4.576 . 0 0 "[ . 1 .]" 1
746 1 30 TYR HA 1 31 HIS H 2.444 . 3.191 2.441 2.427 2.460 . 0 0 "[ . 1 .]" 1
747 1 31 HIS H 1 31 HIS HA 2.952 . 4.041 2.907 2.890 2.923 . 0 0 "[ . 1 .]" 1
748 1 9 CYS HA 1 31 HIS H 3.975 . 5.950 4.344 4.183 4.465 . 0 0 "[ . 1 .]" 1
749 1 31 HIS H 1 31 HIS HB2 2.673 . 3.566 2.592 2.559 2.623 . 0 0 "[ . 1 .]" 1
750 1 31 HIS H 1 31 HIS HB3 3.692 . 5.396 3.677 3.656 3.701 . 0 0 "[ . 1 .]" 1
751 1 30 TYR HB3 1 31 HIS H 2.946 . 4.031 2.441 2.372 2.533 . 0 0 "[ . 1 .]" 1
752 1 9 CYS HB2 1 31 HIS H 2.932 . 4.006 3.280 3.136 3.464 . 0 0 "[ . 1 .]" 1
753 1 18 LEU MD2 1 31 HIS H 3.165 . 4.417 3.251 3.178 3.348 . 0 0 "[ . 1 .]" 1
754 1 30 TYR HB2 1 31 HIS H 3.543 . 5.112 3.435 3.270 3.556 . 0 0 "[ . 1 .]" 1
755 1 31 HIS H 1 33 ASP H 4.045 . 6.090 5.223 5.138 5.326 . 0 0 "[ . 1 .]" 1
756 1 19 VAL H 1 30 TYR H 2.761 . 3.714 2.928 2.809 3.067 . 0 0 "[ . 1 .]" 1
757 1 30 TYR H 1 30 TYR QD 3.454 . 4.946 3.283 3.008 3.550 . 0 0 "[ . 1 .]" 1
758 1 29 VAL HA 1 30 TYR H 2.459 . 3.215 2.350 2.273 2.412 . 0 0 "[ . 1 .]" 1
759 1 30 TYR H 1 30 TYR HB3 3.229 . 4.533 3.927 3.906 3.961 . 0 0 "[ . 1 .]" 1
760 1 30 TYR H 1 30 TYR HB2 3.266 . 4.599 2.915 2.856 3.033 . 0 0 "[ . 1 .]" 1
761 1 29 VAL HB 1 30 TYR H 3.295 . 4.652 4.084 3.908 4.169 . 0 0 "[ . 1 .]" 1
762 1 18 LEU HB2 1 30 TYR H 4.284 . 6.578 5.046 4.868 5.356 . 0 0 "[ . 1 .]" 1
763 1 18 LEU HB3 1 30 TYR H 2.925 . 3.995 3.357 3.182 3.619 . 0 0 "[ . 1 .]" 1
764 1 29 VAL MG2 1 30 TYR H 2.756 . 3.705 2.122 1.887 3.796 0.091 4 0 "[ . 1 .]" 1
765 1 18 LEU MD2 1 30 TYR H 3.574 . 5.171 3.445 3.356 3.549 . 0 0 "[ . 1 .]" 1
766 1 28 LYS HA 1 29 VAL H 2.596 . 3.438 2.256 2.145 2.338 . 0 0 "[ . 1 .]" 1
767 1 28 LYS HB3 1 29 VAL H 4.321 . 6.655 3.130 2.768 3.423 . 0 0 "[ . 1 .]" 1
768 1 28 LYS HB2 1 29 VAL H 3.232 . 4.537 4.200 4.048 4.349 . 0 0 "[ . 1 .]" 1
769 1 29 VAL H 1 29 VAL MG2 3.609 . 5.237 3.909 2.932 4.005 . 0 0 "[ . 1 .]" 1
770 1 29 VAL H 1 29 VAL MG1 2.585 . 3.420 2.582 2.423 3.820 0.400 4 0 "[ . 1 .]" 1
771 1 28 LYS H 1 28 LYS HB3 2.579 . 3.410 3.264 3.028 3.466 0.056 5 0 "[ . 1 .]" 1
772 1 27 PRO HG3 1 28 LYS H 3.685 . 5.383 4.825 4.565 5.056 . 0 0 "[ . 1 .]" 1
773 1 28 LYS H 1 28 LYS HG3 4.747 . 7.564 4.576 4.456 4.693 . 0 0 "[ . 1 .]" 1
774 1 28 LYS H 1 28 LYS HD3 3.597 . 5.214 3.718 3.306 4.043 . 0 0 "[ . 1 .]" 1
775 1 27 PRO HD2 1 28 LYS H 2.790 . 3.763 2.816 2.518 3.109 . 0 0 "[ . 1 .]" 1
776 1 26 CYS HB2 1 28 LYS H 3.473 . 4.981 4.777 4.647 4.882 . 0 0 "[ . 1 .]" 1
777 1 28 LYS H 1 49 TRP HZ3 4.289 . 6.588 4.741 4.531 4.963 . 0 0 "[ . 1 .]" 1
778 1 26 CYS HB3 1 28 LYS H 4.384 . 6.786 3.870 3.669 4.155 . 0 0 "[ . 1 .]" 1
779 1 26 CYS H 1 26 CYS HA 2.949 . 4.036 2.933 2.901 2.950 . 0 0 "[ . 1 .]" 1
780 1 26 CYS H 1 26 CYS HB2 2.826 . 3.824 2.664 2.407 2.870 . 0 0 "[ . 1 .]" 1
781 1 21 CYS HB3 1 26 CYS H 5.678 . 9.708 4.859 4.464 5.131 . 0 0 "[ . 1 .]" 1
782 1 26 CYS H 1 26 CYS HB3 2.570 . 3.396 2.666 2.487 2.862 . 0 0 "[ . 1 .]" 1
783 1 23 LYS H 1 23 LYS HA 2.818 . 3.810 2.939 2.931 2.946 . 0 0 "[ . 1 .]" 1
784 1 21 CYS HB3 1 23 LYS H 4.524 . 7.082 3.056 2.874 3.288 . 0 0 "[ . 1 .]" 1
785 1 19 VAL HA 1 20 SER H 2.146 . 2.722 2.180 2.144 2.207 . 0 0 "[ . 1 .]" 1
786 1 20 SER H 1 20 SER HA 2.984 . 4.097 2.922 2.913 2.932 . 0 0 "[ . 1 .]" 1
787 1 19 VAL HB 1 20 SER H 3.618 . 5.254 4.135 4.116 4.175 . 0 0 "[ . 1 .]" 1
788 1 19 VAL H 1 20 SER H 4.212 . 6.429 4.379 4.295 4.440 . 0 0 "[ . 1 .]" 1
789 1 18 LEU H 1 18 LEU HA 2.835 . 3.840 2.927 2.912 2.938 . 0 0 "[ . 1 .]" 1
790 1 17 GLN HA 1 18 LEU H 2.148 . 2.725 2.239 2.199 2.361 . 0 0 "[ . 1 .]" 1
791 1 17 GLN HG2 1 18 LEU H 4.083 . 6.167 4.075 3.825 5.371 . 0 0 "[ . 1 .]" 1
792 1 18 LEU H 1 18 LEU HB2 2.477 . 3.244 2.513 2.438 2.557 . 0 0 "[ . 1 .]" 1
793 1 18 LEU H 1 18 LEU MD1 3.041 . 4.197 3.654 3.537 3.727 . 0 0 "[ . 1 .]" 1
794 1 18 LEU H 1 18 LEU HG 2.861 . 3.884 2.705 2.576 2.873 . 0 0 "[ . 1 .]" 1
795 1 18 LEU H 1 18 LEU MD2 4.010 . 6.020 3.806 3.695 3.951 . 0 0 "[ . 1 .]" 1
796 1 18 LEU H 1 19 VAL H 4.327 . 6.667 4.472 4.440 4.523 . 0 0 "[ . 1 .]" 1
797 1 17 GLN H 1 18 LEU H 3.582 . 5.186 3.974 3.188 4.213 . 0 0 "[ . 1 .]" 1
798 1 17 GLN H 1 31 HIS HD2 3.200 . 4.480 3.336 2.799 4.859 0.379 11 0 "[ . 1 .]" 1
799 1 16 GLY HA3 1 17 GLN H 2.739 . 3.676 2.344 2.136 3.470 . 0 0 "[ . 1 .]" 1
800 1 16 GLY HA2 1 17 GLN H 2.629 . 3.493 3.070 2.214 3.333 . 0 0 "[ . 1 .]" 1
801 1 17 GLN H 1 18 LEU MD2 4.198 . 6.400 4.617 4.469 4.930 . 0 0 "[ . 1 .]" 1
802 1 8 GLU HA 1 16 GLY H 4.115 . 6.231 4.400 4.134 4.600 . 0 0 "[ . 1 .]" 1
803 1 16 GLY H 1 16 GLY HA2 2.692 . 3.598 2.685 2.566 2.760 . 0 0 "[ . 1 .]" 1
804 1 15 ALA MB 1 16 GLY H 2.312 . 2.980 2.477 2.430 2.507 . 0 0 "[ . 1 .]" 1
805 1 16 GLY H 1 18 LEU MD1 3.167 . 4.421 2.525 2.184 2.831 . 0 0 "[ . 1 .]" 1
806 1 16 GLY H 1 18 LEU HG 2.814 . 3.804 2.388 2.244 2.544 . 0 0 "[ . 1 .]" 1
807 1 16 GLY H 1 18 LEU MD2 3.832 . 5.667 3.203 2.810 3.363 . 0 0 "[ . 1 .]" 1
808 1 14 ASP HB3 1 15 ALA H 2.622 . 3.481 2.583 2.425 2.697 . 0 0 "[ . 1 .]" 1
809 1 15 ALA H 1 15 ALA MB 2.164 . 2.749 2.411 2.349 2.468 . 0 0 "[ . 1 .]" 1
810 1 14 ASP HA 1 15 ALA H 2.231 . 2.853 2.329 2.278 2.383 . 0 0 "[ . 1 .]" 1
811 1 15 ALA H 1 15 ALA HA 2.644 . 3.518 2.939 2.929 2.944 . 0 0 "[ . 1 .]" 1
812 1 15 ALA H 1 31 HIS HE1 4.362 . 6.741 4.922 4.731 5.079 . 0 0 "[ . 1 .]" 1
813 1 14 ASP H 1 14 ASP HA 2.838 . 3.845 2.938 2.923 2.944 . 0 0 "[ . 1 .]" 1
814 1 14 ASP H 1 14 ASP HB2 2.381 . 3.089 2.514 2.384 2.600 . 0 0 "[ . 1 .]" 1
815 1 13 GLY HA3 1 14 ASP H 3.330 . 4.716 3.322 3.173 3.392 . 0 0 "[ . 1 .]" 1
816 1 9 CYS HB3 1 14 ASP H 2.638 . 3.508 2.664 2.559 2.956 . 0 0 "[ . 1 .]" 1
817 1 13 GLY HA2 1 14 ASP H 3.222 . 4.520 3.182 3.077 3.348 . 0 0 "[ . 1 .]" 1
818 1 14 ASP H 1 31 HIS HE1 3.132 . 4.358 3.306 3.080 3.489 . 0 0 "[ . 1 .]" 1
819 1 13 GLY H 1 13 GLY HA2 2.462 . 3.220 2.336 2.324 2.349 . 0 0 "[ . 1 .]" 1
820 1 13 GLY H 1 13 GLY HA3 2.834 . 3.838 2.906 2.893 2.920 . 0 0 "[ . 1 .]" 1
821 1 9 CYS HB3 1 13 GLY H 2.650 . 3.528 3.050 2.852 3.218 . 0 0 "[ . 1 .]" 1
822 1 12 CYS HB2 1 13 GLY H 4.385 . 6.789 2.998 2.965 3.034 . 0 0 "[ . 1 .]" 1
823 1 12 CYS HA 1 13 GLY H 3.805 . 5.614 3.481 3.470 3.494 . 0 0 "[ . 1 .]" 1
824 1 9 CYS HB2 1 13 GLY H 4.455 . 6.935 4.706 4.547 4.837 . 0 0 "[ . 1 .]" 1
825 1 10 PHE HA 1 13 GLY H 3.848 . 5.699 3.779 3.630 3.992 . 0 0 "[ . 1 .]" 1
826 1 9 CYS HB2 1 12 CYS H 4.171 . 6.345 4.171 4.085 4.263 . 0 0 "[ . 1 .]" 1
827 1 12 CYS H 1 12 CYS HB2 3.542 . 5.110 2.631 2.556 2.669 . 0 0 "[ . 1 .]" 1
828 1 12 CYS H 1 12 CYS HB3 2.645 . 3.520 3.749 3.698 3.782 0.262 12 0 "[ . 1 .]" 1
829 1 10 PHE HA 1 12 CYS H 4.048 . 6.097 4.244 4.040 4.473 . 0 0 "[ . 1 .]" 1
830 1 11 SER H 1 12 CYS H 2.464 . 3.223 2.499 2.470 2.532 . 0 0 "[ . 1 .]" 1
831 1 11 SER H 1 30 TYR QD 3.969 . 5.938 2.311 1.989 2.576 0.011 7 0 "[ . 1 .]" 1
832 1 11 SER H 1 30 TYR HA 3.925 . 5.851 3.832 3.679 4.016 . 0 0 "[ . 1 .]" 1
833 1 10 PHE HA 1 11 SER H 3.505 . 5.041 3.436 3.402 3.468 . 0 0 "[ . 1 .]" 1
834 1 11 SER H 1 11 SER HB3 2.586 . 3.422 3.311 2.485 3.623 0.201 4 0 "[ . 1 .]" 1
835 1 9 CYS HB3 1 11 SER H 3.341 . 4.737 4.001 3.931 4.095 . 0 0 "[ . 1 .]" 1
836 1 10 PHE HB3 1 11 SER H 4.231 . 6.469 3.111 3.011 3.226 . 0 0 "[ . 1 .]" 1
837 1 10 PHE H 1 30 TYR HA 3.419 . 4.880 3.438 3.221 3.635 . 0 0 "[ . 1 .]" 1
838 1 9 CYS HA 1 10 PHE H 2.346 . 3.034 2.131 2.116 2.155 . 0 0 "[ . 1 .]" 1
839 1 10 PHE H 1 10 PHE HB2 2.751 . 3.697 2.571 2.466 2.654 . 0 0 "[ . 1 .]" 1
840 1 10 PHE H 1 10 PHE HB3 2.983 . 4.095 2.461 2.352 2.625 . 0 0 "[ . 1 .]" 1
841 1 9 CYS HB2 1 10 PHE H 4.465 . 6.957 4.286 4.235 4.361 . 0 0 "[ . 1 .]" 1
842 1 10 PHE H 1 29 VAL MG1 3.578 . 5.178 3.775 3.518 4.685 . 0 0 "[ . 1 .]" 1
843 1 10 PHE H 1 18 LEU MD2 4.682 . 7.422 4.396 4.302 4.469 . 0 0 "[ . 1 .]" 1
844 1 9 CYS H 1 15 ALA MB 3.283 . 4.630 3.745 3.620 3.925 . 0 0 "[ . 1 .]" 1
845 1 9 CYS H 1 18 LEU HG 3.406 . 6.000 5.115 4.968 5.318 . 0 0 "[ . 1 .]" 1
846 1 9 CYS H 1 18 LEU MD2 2.930 . 4.003 2.846 2.752 2.948 . 0 0 "[ . 1 .]" 1
847 1 9 CYS H 1 9 CYS HB2 2.406 . 3.129 2.753 2.722 2.795 . 0 0 "[ . 1 .]" 1
848 1 9 CYS H 1 15 ALA HA 2.919 . 3.984 2.961 2.749 3.064 . 0 0 "[ . 1 .]" 1
849 1 8 GLU HA 1 9 CYS H 2.165 . 2.751 2.302 2.256 2.384 . 0 0 "[ . 1 .]" 1
850 1 9 CYS H 1 13 GLY HA3 4.720 . 7.505 5.822 5.664 6.010 . 0 0 "[ . 1 .]" 1
851 1 9 CYS H 1 9 CYS HB3 2.361 . 3.058 2.416 2.366 2.443 . 0 0 "[ . 1 .]" 1
852 1 9 CYS H 1 12 CYS HB2 5.388 . 9.017 4.696 4.559 4.928 . 0 0 "[ . 1 .]" 1
853 1 9 CYS H 1 31 HIS HE1 3.913 . 5.827 4.277 4.178 4.401 . 0 0 "[ . 1 .]" 1
854 1 9 CYS H 1 10 PHE H 4.180 . 6.364 4.403 4.330 4.455 . 0 0 "[ . 1 .]" 1
855 1 7 ASP H 1 8 GLU H 2.649 . 3.526 2.923 2.454 3.767 0.241 4 0 "[ . 1 .]" 1
856 1 7 ASP HA 1 8 GLU H 2.591 . 3.430 2.753 2.356 3.007 . 0 0 "[ . 1 .]" 1
857 1 8 GLU H 1 8 GLU HA 2.629 . 3.493 2.877 2.836 2.908 . 0 0 "[ . 1 .]" 1
858 1 8 GLU H 1 8 GLU HB2 2.689 . 3.593 3.358 3.267 3.475 . 0 0 "[ . 1 .]" 1
859 1 8 GLU H 1 29 VAL MG1 2.589 . 3.427 2.421 2.141 3.191 . 0 0 "[ . 1 .]" 1
860 1 7 ASP H 1 7 ASP HA 2.815 . 3.806 2.933 2.871 2.952 . 0 0 "[ . 1 .]" 1
861 1 6 GLU HA 1 7 ASP H 2.375 . 3.080 2.326 2.159 2.470 . 0 0 "[ . 1 .]" 1
862 1 6 GLU H 1 7 ASP H 4.576 . 7.194 4.604 4.347 4.656 . 0 0 "[ . 1 .]" 1
863 1 5 ARG HA 1 6 GLU H 2.278 . 2.927 2.188 2.124 2.383 . 0 0 "[ . 1 .]" 1
864 1 6 GLU H 1 6 GLU HB3 2.369 . 3.070 2.869 2.469 3.609 0.539 5 4 "[- *+ 1 * .]" 1
865 1 6 GLU H 1 29 VAL MG2 3.667 . 5.348 4.620 3.228 5.795 0.447 5 0 "[ . 1 .]" 1
866 1 6 GLU H 1 29 VAL MG1 4.059 . 6.118 3.965 3.414 5.609 . 0 0 "[ . 1 .]" 1
867 1 5 ARG H 1 5 ARG HB2 2.272 . 2.917 2.821 2.457 3.361 0.444 9 0 "[ . 1 .]" 1
868 1 2 ALA MB 1 3 MET H 4.028 . 6.056 3.367 2.015 3.729 . 0 0 "[ . 1 .]" 1
869 1 45 TRP HA 1 45 TRP HE1 4.313 . 6.638 4.992 4.904 5.074 . 0 0 "[ . 1 .]" 1
870 1 49 TRP HD1 1 68 SER H 3.918 . 5.837 3.848 3.591 4.426 . 0 0 "[ . 1 .]" 1
871 1 28 LYS H 1 49 TRP HE3 4.509 . 7.050 5.031 4.829 5.264 . 0 0 "[ . 1 .]" 1
872 1 28 LYS H 1 28 LYS HG2 5.052 . 8.243 4.540 4.361 4.693 . 0 0 "[ . 1 .]" 1
873 1 10 PHE HB3 1 29 VAL H 3.770 . 5.547 4.374 4.067 4.642 . 0 0 "[ . 1 .]" 1
874 1 10 PHE HB2 1 29 VAL H 4.183 . 6.370 3.953 3.665 4.342 . 0 0 "[ . 1 .]" 1
875 1 45 TRP HB2 1 45 TRP HE3 3.981 . 5.962 3.958 3.825 4.017 . 0 0 "[ . 1 .]" 1
876 1 45 TRP HB3 1 45 TRP HE3 2.576 . 3.405 2.438 2.408 2.465 . 0 0 "[ . 1 .]" 1
877 1 35 LEU MD1 1 45 TRP HZ2 2.678 . 3.575 2.201 1.919 2.382 . 0 0 "[ . 1 .]" 1
878 1 45 TRP HB2 1 45 TRP HD1 2.634 . 3.501 2.831 2.769 2.960 . 0 0 "[ . 1 .]" 1
879 1 45 TRP HB3 1 45 TRP HD1 3.485 . 5.003 3.879 3.864 3.895 . 0 0 "[ . 1 .]" 1
880 1 31 HIS HB2 1 31 HIS HD2 3.578 . 5.178 3.942 3.939 3.947 . 0 0 "[ . 1 .]" 1
881 1 31 HIS HB3 1 31 HIS HD2 2.599 . 3.444 3.023 3.005 3.036 . 0 0 "[ . 1 .]" 1
882 1 9 CYS HB2 1 31 HIS HE1 2.642 . 3.514 3.153 3.064 3.234 . 0 0 "[ . 1 .]" 1
883 1 18 LEU MD2 1 31 HIS HD2 2.491 . 3.267 2.377 2.329 2.430 . 0 0 "[ . 1 .]" 1
884 1 18 LEU MD2 1 31 HIS HE1 3.445 . 4.929 3.808 3.637 3.967 . 0 0 "[ . 1 .]" 1
885 1 49 TRP HB2 1 49 TRP HE3 3.435 . 4.910 3.607 3.525 3.709 . 0 0 "[ . 1 .]" 1
886 1 80 PHE HB3 1 80 PHE QD 3.019 . 4.158 2.368 2.317 2.405 . 0 0 "[ . 1 .]" 1
887 1 80 PHE HB2 1 80 PHE QD 3.057 . 4.225 2.431 2.389 2.485 . 0 0 "[ . 1 .]" 1
888 1 80 PHE HB2 1 80 PHE QE 4.104 . 6.209 4.416 4.404 4.433 . 0 0 "[ . 1 .]" 1
889 1 10 PHE HB3 1 30 TYR QD 3.881 . 5.764 3.281 3.030 3.510 . 0 0 "[ . 1 .]" 1
890 1 49 TRP HB3 1 49 TRP HE3 2.778 . 3.742 2.445 2.397 2.483 . 0 0 "[ . 1 .]" 1
891 1 49 TRP HE3 1 50 HIS HE1 3.151 . 4.392 3.400 3.124 3.689 . 0 0 "[ . 1 .]" 1
892 1 49 TRP HA 1 49 TRP HD1 2.413 . 3.141 2.280 2.174 2.395 . 0 0 "[ . 1 .]" 1
893 1 49 TRP HZ2 1 64 GLU HA 2.674 . 3.568 2.593 2.361 2.695 . 0 0 "[ . 1 .]" 1
894 1 45 TRP HA 1 45 TRP HE3 3.404 . 4.853 4.895 4.786 5.075 0.222 8 0 "[ . 1 .]" 1
895 1 49 TRP HD1 1 69 SER HB2 4.022 . 6.044 4.837 4.617 5.068 . 0 0 "[ . 1 .]" 1
896 1 55 CYS HA 1 74 HIS HE1 3.982 . 5.964 4.035 3.918 4.242 . 0 0 "[ . 1 .]" 1
897 1 46 GLU HA 1 50 HIS HD2 3.734 . 5.476 3.244 2.428 3.630 . 0 0 "[ . 1 .]" 1
898 1 50 HIS HB3 1 50 HIS HD2 3.506 . 5.042 3.349 3.266 3.416 . 0 0 "[ . 1 .]" 1
899 1 55 CYS HB2 1 74 HIS HE1 3.506 . 5.042 3.279 3.193 3.340 . 0 0 "[ . 1 .]" 1
900 1 50 HIS HB2 1 50 HIS HD2 2.826 . 3.824 2.711 2.648 2.754 . 0 0 "[ . 1 .]" 1
901 1 55 CYS HB3 1 74 HIS HE1 1.780 . 2.176 1.779 1.741 1.841 . 0 0 "[ . 1 .]" 1
902 1 49 TRP HB3 1 50 HIS HD2 3.894 . 5.789 5.736 5.540 5.904 0.115 10 0 "[ . 1 .]" 1
903 1 54 VAL HB 1 74 HIS HE1 3.198 . 4.476 3.805 3.733 3.890 . 0 0 "[ . 1 .]" 1
904 1 66 CYS HB3 1 93 HIS HE1 3.054 . 4.220 2.244 1.980 2.465 . 0 0 "[ . 1 .]" 1
905 1 49 TRP HD1 1 69 SER HB3 3.280 . 4.624 3.175 3.014 3.399 . 0 0 "[ . 1 .]" 1
906 1 49 TRP HB2 1 49 TRP HD1 3.552 . 5.129 3.159 3.074 3.228 . 0 0 "[ . 1 .]" 1
907 1 49 TRP HZ2 1 62 PHE HB2 3.249 . 4.568 3.209 3.015 3.331 . 0 0 "[ . 1 .]" 1
908 1 49 TRP HZ2 1 64 GLU HG3 3.916 . 5.833 4.239 4.072 4.451 . 0 0 "[ . 1 .]" 1
909 1 49 TRP HZ2 1 62 PHE HB3 3.446 . 4.930 3.354 2.965 3.851 . 0 0 "[ . 1 .]" 1
910 1 35 LEU MD1 1 45 TRP HH2 2.741 . 3.680 2.184 1.922 2.338 . 0 0 "[ . 1 .]" 1
911 1 62 PHE HB3 1 62 PHE QD 3.205 . 4.489 2.559 2.499 2.689 . 0 0 "[ . 1 .]" 1
912 1 62 PHE QD 1 69 SER HB3 3.716 . 5.442 2.359 2.134 2.602 . 0 0 "[ . 1 .]" 1
913 1 62 PHE HB2 1 62 PHE QD 3.261 . 4.590 2.286 2.256 2.312 . 0 0 "[ . 1 .]" 1
914 1 74 HIS HB3 1 74 HIS HD2 3.024 . 4.167 3.254 3.203 3.297 . 0 0 "[ . 1 .]" 1
915 1 74 HIS HB2 1 74 HIS HD2 3.667 . 5.348 3.909 3.891 3.922 . 0 0 "[ . 1 .]" 1
916 1 93 HIS HB3 1 93 HIS HD2 2.682 . 3.581 3.227 3.108 3.302 . 0 0 "[ . 1 .]" 1
917 1 45 TRP HZ2 1 48 PRO HD3 3.288 . 4.639 2.567 2.275 2.818 . 0 0 "[ . 1 .]" 1
918 1 10 PHE HB2 1 30 TYR QD 3.287 . 4.637 4.659 4.341 4.961 0.324 12 0 "[ . 1 .]" 1
919 1 50 HIS HA 1 62 PHE QD 3.718 . 5.446 3.540 3.304 3.727 . 0 0 "[ . 1 .]" 1
920 1 62 PHE QD 1 69 SER HB2 3.433 . 4.906 2.481 2.105 2.868 . 0 0 "[ . 1 .]" 1
921 1 60 ALA HA 1 62 PHE QE 3.072 . 4.252 4.142 3.760 4.439 0.187 15 0 "[ . 1 .]" 1
922 1 62 PHE HA 1 62 PHE QE 4.277 . 6.564 4.772 4.715 4.851 . 0 0 "[ . 1 .]" 1
923 1 21 CYS HA 1 45 TRP HZ3 2.965 . 4.064 2.676 2.479 3.104 . 0 0 "[ . 1 .]" 1
924 1 27 PRO HD2 1 49 TRP HZ3 3.155 . 4.399 3.289 2.747 4.048 . 0 0 "[ . 1 .]" 1
925 1 61 SER HA 1 62 PHE QE 3.988 . 5.976 4.268 4.041 4.548 . 0 0 "[ . 1 .]" 1
926 1 74 HIS HA 1 74 HIS HD2 2.206 . 2.814 2.326 2.261 2.368 . 0 0 "[ . 1 .]" 1
927 1 31 HIS HA 1 31 HIS HD2 2.528 . 3.327 2.823 2.789 2.852 . 0 0 "[ . 1 .]" 1
928 1 18 LEU HA 1 31 HIS HD2 3.124 . 4.344 3.130 2.834 3.306 . 0 0 "[ . 1 .]" 1
929 1 80 PHE HA 1 80 PHE QD 3.873 . 5.748 3.751 3.744 3.755 . 0 0 "[ . 1 .]" 1
930 1 10 PHE HA 1 10 PHE QD 2.965 . 4.064 2.549 2.423 2.637 . 0 0 "[ . 1 .]" 1
931 1 78 MET HA 1 80 PHE QD 4.020 . 6.040 4.740 4.499 4.919 . 0 0 "[ . 1 .]" 1
932 1 80 PHE QE 1 82 SER HA 3.732 . 5.473 3.361 3.107 4.061 . 0 0 "[ . 1 .]" 1
933 1 80 PHE QD 1 91 THR HA 4.026 . 6.052 4.419 4.148 4.921 . 0 0 "[ . 1 .]" 1
934 1 65 MET HA 1 93 HIS HD2 4.455 . 6.935 5.315 5.012 5.524 . 0 0 "[ . 1 .]" 1
935 1 9 CYS HA 1 31 HIS HE1 4.541 . 7.119 5.376 5.325 5.437 . 0 0 "[ . 1 .]" 1
936 1 63 CYS HA 1 89 SER HA 2.797 . 3.775 3.760 3.505 4.083 0.308 1 0 "[ . 1 .]" 1
937 1 19 VAL MG2 1 45 TRP HZ3 3.155 . 4.400 3.052 2.874 3.183 . 0 0 "[ . 1 .]" 1
938 1 80 PHE QE 1 91 THR MG 3.106 . 4.312 2.151 1.955 2.552 . 0 0 "[ . 1 .]" 1
939 1 73 GLN HB3 1 74 HIS HD2 3.620 . 5.258 3.813 3.557 4.120 . 0 0 "[ . 1 .]" 1
940 1 65 MET HB3 1 93 HIS HD2 3.140 . 4.373 3.321 2.935 3.483 . 0 0 "[ . 1 .]" 1
941 1 54 VAL MG2 1 74 HIS HD2 3.366 . 4.783 4.221 4.077 4.377 . 0 0 "[ . 1 .]" 1
942 1 65 MET HB2 1 93 HIS HE1 3.460 . 4.957 4.300 4.086 4.596 . 0 0 "[ . 1 .]" 1
943 1 65 MET HB3 1 93 HIS HE1 3.281 . 4.627 4.638 4.246 4.892 0.265 10 0 "[ . 1 .]" 1
944 1 89 SER HA 1 93 HIS HD2 3.579 . 5.180 3.267 2.914 3.543 . 0 0 "[ . 1 .]" 1
945 1 26 CYS HA 1 50 HIS HE1 3.611 . 5.241 4.046 3.683 4.541 . 0 0 "[ . 1 .]" 1
946 1 28 LYS HE2 1 49 TRP HH2 3.383 . 4.814 3.413 2.955 4.134 . 0 0 "[ . 1 .]" 1
947 1 28 LYS HE2 1 49 TRP HZ3 3.836 . 5.675 4.097 3.587 4.914 . 0 0 "[ . 1 .]" 1
948 1 90 CYS HA 1 91 THR MG 3.748 . 5.504 3.785 3.705 3.869 . 0 0 "[ . 1 .]" 1
949 1 10 PHE QE 1 49 TRP HZ2 4.039 . 6.078 4.067 3.713 4.712 . 0 0 "[ . 1 .]" 1
950 1 49 TRP HZ2 1 62 PHE QD 4.549 . 7.136 4.650 4.352 4.831 . 0 0 "[ . 1 .]" 1
951 1 35 LEU MD1 1 45 TRP HZ3 3.941 . 5.882 3.996 3.642 4.157 . 0 0 "[ . 1 .]" 1
952 1 49 TRP HZ3 1 50 HIS HE1 4.193 . 6.391 4.485 4.041 4.802 . 0 0 "[ . 1 .]" 1
953 1 45 TRP HZ3 1 48 PRO HD3 4.950 . 8.012 5.851 5.460 6.124 . 0 0 "[ . 1 .]" 1
954 1 45 TRP HH2 1 48 PRO HD3 3.798 . 5.602 4.016 3.624 4.261 . 0 0 "[ . 1 .]" 1
955 1 50 HIS HB3 1 62 PHE QE 4.361 . 6.738 4.236 3.976 4.343 . 0 0 "[ . 1 .]" 1
956 1 21 CYS HB3 1 45 TRP HZ3 3.933 . 5.866 4.880 4.687 5.141 . 0 0 "[ . 1 .]" 1
957 1 10 PHE HB2 1 30 TYR QE 4.305 . 6.621 3.696 3.574 3.842 . 0 0 "[ . 1 .]" 1
958 1 21 CYS HB2 1 50 HIS HE1 3.891 . 5.783 5.647 5.459 5.735 . 0 0 "[ . 1 .]" 1
959 1 49 TRP HB3 1 50 HIS HE1 4.072 . 6.145 4.131 3.874 4.367 . 0 0 "[ . 1 .]" 1
960 1 73 GLN HB3 1 74 HIS HE1 4.077 . 6.155 4.919 4.575 5.660 . 0 0 "[ . 1 .]" 1
961 1 54 VAL MG1 1 74 HIS HD2 2.777 . 3.741 3.531 3.404 3.729 . 0 0 "[ . 1 .]" 1
962 1 54 VAL MG1 1 74 HIS HE1 2.594 . 3.435 2.943 2.844 2.988 . 0 0 "[ . 1 .]" 1
963 1 73 GLN HA 1 74 HIS HD2 4.616 . 7.280 5.277 5.149 5.438 . 0 0 "[ . 1 .]" 1
964 1 17 GLN HG3 1 31 HIS HD2 4.039 . 6.079 5.702 4.628 5.996 . 0 0 "[ . 1 .]" 1
965 1 65 MET HG3 1 93 HIS HE1 5.160 . 8.488 6.751 6.509 7.050 . 0 0 "[ . 1 .]" 1
966 1 92 GLU HB3 1 93 HIS HE1 3.743 . 5.494 4.698 4.244 5.181 . 0 0 "[ . 1 .]" 1
967 1 65 MET HB2 1 93 HIS HD2 4.164 . 6.331 2.417 2.136 2.708 . 0 0 "[ . 1 .]" 1
968 1 92 GLU HB2 1 93 HIS HE1 4.437 . 6.898 3.787 3.313 4.260 . 0 0 "[ . 1 .]" 1
969 1 18 LEU HG 1 31 HIS HD2 3.629 . 5.275 3.227 3.067 3.362 . 0 0 "[ . 1 .]" 1
970 1 18 LEU HG 1 31 HIS HE1 4.468 . 6.963 5.882 5.590 6.145 . 0 0 "[ . 1 .]" 1
971 1 93 HIS HB2 1 93 HIS HD2 3.058 . 4.227 2.798 2.744 2.894 . 0 0 "[ . 1 .]" 1
972 1 17 GLN HA 1 31 HIS HD2 4.033 . 6.066 4.467 4.123 4.982 . 0 0 "[ . 1 .]" 1
973 1 9 CYS HA 1 31 HIS HD2 4.778 . 7.631 6.081 5.976 6.165 . 0 0 "[ . 1 .]" 1
974 1 15 ALA HA 1 31 HIS HE1 3.970 . 5.940 4.469 4.347 4.812 . 0 0 "[ . 1 .]" 1
975 1 30 TYR HA 1 31 HIS HE1 4.903 . 7.908 5.872 5.801 5.993 . 0 0 "[ . 1 .]" 1
976 1 90 CYS HA 1 93 HIS HD2 4.782 . 7.641 5.653 5.520 5.939 . 0 0 "[ . 1 .]" 1
977 1 20 SER HB3 1 29 VAL HA 5.327 . 8.874 5.384 5.130 5.629 . 0 0 "[ . 1 .]" 1
978 1 20 SER HB2 1 29 VAL HA 3.958 . 5.916 4.314 4.056 4.571 . 0 0 "[ . 1 .]" 1
979 1 18 LEU HB2 1 29 VAL HA 4.665 . 7.386 5.987 5.769 6.473 . 0 0 "[ . 1 .]" 1
980 1 18 LEU HB3 1 29 VAL HA 4.167 . 6.338 4.500 4.372 4.874 . 0 0 "[ . 1 .]" 1
981 1 18 LEU HG 1 29 VAL HA 4.759 . 7.590 7.315 7.245 7.505 . 0 0 "[ . 1 .]" 1
982 1 29 VAL MG1 1 30 TYR HA 3.573 . 5.169 3.466 3.323 3.562 . 0 0 "[ . 1 .]" 1
983 1 49 TRP HA 1 67 PRO HA 4.395 . 6.809 3.684 3.224 4.084 . 0 0 "[ . 1 .]" 1
984 1 18 LEU MD2 1 29 VAL HA 4.626 . 7.301 4.722 4.583 4.878 . 0 0 "[ . 1 .]" 1
985 1 45 TRP HA 1 45 TRP HH2 4.774 . 7.623 7.772 7.654 7.928 0.305 8 0 "[ . 1 .]" 1
986 1 62 PHE HB2 1 62 PHE QE 4.613 . 7.273 4.377 4.365 4.385 . 0 0 "[ . 1 .]" 1
987 1 10 PHE QE 1 67 PRO HA 4.233 . 6.473 3.600 2.868 4.120 . 0 0 "[ . 1 .]" 1
988 1 10 PHE QE 1 65 MET HA 5.131 . 8.422 3.410 3.123 3.662 . 0 0 "[ . 1 .]" 1
989 1 10 PHE QD 1 28 LYS HB2 5.048 . 8.233 5.869 5.032 6.299 . 0 0 "[ . 1 .]" 1
990 1 30 TYR QE 1 67 PRO HB2 3.673 . 5.359 5.017 4.573 5.315 . 0 0 "[ . 1 .]" 1
991 1 28 LYS HB3 1 30 TYR QD 5.212 . 8.608 4.356 4.064 4.650 . 0 0 "[ . 1 .]" 1
992 1 28 LYS HB3 1 30 TYR QE 5.340 . 8.905 2.952 2.470 3.193 . 0 0 "[ . 1 .]" 1
993 1 10 PHE QE 1 64 GLU HA 4.354 . 6.723 3.676 3.537 4.077 . 0 0 "[ . 1 .]" 1
994 1 80 PHE QD 1 90 CYS HA 4.271 . 6.552 4.254 3.998 4.511 . 0 0 "[ . 1 .]" 1
995 1 80 PHE HZ 1 91 THR HA 3.621 . 5.260 3.563 3.352 3.759 . 0 0 "[ . 1 .]" 1
996 1 28 LYS HD2 1 49 TRP HE3 4.083 . 6.167 5.915 5.492 6.297 0.130 11 0 "[ . 1 .]" 1
997 1 35 LEU MD2 1 45 TRP HH2 3.480 . 4.994 3.633 3.366 4.025 . 0 0 "[ . 1 .]" 1
998 1 8 GLU HA 1 18 LEU MD2 3.487 . 5.007 3.421 3.256 3.555 . 0 0 "[ . 1 .]" 1
999 1 41 PRO HB2 1 45 TRP HE3 5.974 . 10.434 5.493 4.964 6.225 . 0 0 "[ . 1 .]" 1
1000 1 28 LYS HD3 1 49 TRP HZ3 5.538 . 9.372 3.175 2.678 3.351 . 0 0 "[ . 1 .]" 1
1001 1 28 LYS HD3 1 49 TRP HE3 5.122 . 8.401 4.571 3.979 5.004 . 0 0 "[ . 1 .]" 1
1002 1 80 PHE QD 1 91 THR MG 3.015 . 4.151 2.771 2.514 3.088 . 0 0 "[ . 1 .]" 1
1003 1 30 TYR QE 1 67 PRO HG2 3.123 . 4.342 4.334 4.023 4.612 0.270 13 0 "[ . 1 .]" 1
1004 1 10 PHE QD 1 28 LYS HG2 4.572 . 7.185 3.871 3.057 4.251 . 0 0 "[ . 1 .]" 1
1005 1 30 TYR QD 1 67 PRO HG3 4.342 . 6.699 3.731 3.489 3.944 . 0 0 "[ . 1 .]" 1
1006 1 30 TYR QD 1 67 PRO HG2 3.949 . 5.898 4.590 4.123 4.947 . 0 0 "[ . 1 .]" 1
1007 1 30 TYR QE 1 67 PRO HG3 3.894 . 5.790 2.796 2.501 3.100 . 0 0 "[ . 1 .]" 1
1008 1 28 LYS HD2 1 49 TRP HZ3 3.756 . 5.519 4.876 4.445 5.043 . 0 0 "[ . 1 .]" 1
1009 1 10 PHE QE 1 28 LYS HE3 4.354 . 6.723 4.039 3.577 4.316 . 0 0 "[ . 1 .]" 1
1010 1 28 LYS HE3 1 49 TRP HZ3 5.435 . 9.128 5.426 5.050 5.633 . 0 0 "[ . 1 .]" 1
1011 1 28 LYS HE3 1 49 TRP HH2 4.913 . 7.930 5.054 4.413 5.297 . 0 0 "[ . 1 .]" 1
1012 1 10 PHE QD 1 28 LYS HD3 5.273 . 8.748 5.368 4.867 5.632 . 0 0 "[ . 1 .]" 1
1013 1 70 PHE HA 1 71 CYS HB2 5.233 . 8.656 5.710 5.691 5.745 . 0 0 "[ . 1 .]" 1
1014 1 80 PHE HZ 1 91 THR MG 3.322 . 4.701 4.073 3.776 4.534 . 0 0 "[ . 1 .]" 1
1015 1 49 TRP HH2 1 64 GLU HA 4.100 . 6.201 4.456 4.142 4.655 . 0 0 "[ . 1 .]" 1
1016 1 10 PHE HZ 1 66 CYS HA 4.042 . 6.085 4.231 3.926 4.482 . 0 0 "[ . 1 .]" 1
1017 1 18 LEU HG 1 30 TYR HA 4.319 . 6.651 5.810 5.678 5.959 . 0 0 "[ . 1 .]" 1
1018 1 10 PHE QE 1 28 LYS HE2 4.910 . 7.923 4.173 3.951 4.577 . 0 0 "[ . 1 .]" 1
1019 1 30 TYR QE 1 49 TRP HD1 4.586 . 7.215 5.377 5.043 5.721 . 0 0 "[ . 1 .]" 1
1020 1 92 GLU HB2 1 92 GLU QG 2.656 . 3.538 2.189 2.155 2.303 . 0 0 "[ . 1 .]" 1
1021 1 87 ARG HB2 1 89 SER HB3 3.372 . 6.000 5.114 3.856 5.410 . 0 0 "[ . 1 .]" 1
1022 1 82 SER HA 1 82 SER QB 2.195 . 2.798 2.329 2.300 2.371 . 0 0 "[ . 1 .]" 1
1023 1 79 LEU HA 1 79 LEU HB3 2.615 . 3.470 2.664 2.617 2.689 . 0 0 "[ . 1 .]" 1
1024 1 76 GLU HA 1 76 GLU QG 2.347 . 3.036 2.458 2.290 3.041 0.005 14 0 "[ . 1 .]" 1
1025 1 66 CYS HA 1 66 CYS HB3 2.421 . 3.154 2.473 2.429 2.492 . 0 0 "[ . 1 .]" 1
1026 1 63 CYS HA 1 63 CYS QB 2.319 . 2.991 2.404 2.378 2.418 . 0 0 "[ . 1 .]" 1
1027 1 58 GLU HA 1 58 GLU QG 2.564 . 3.386 2.737 2.398 3.339 . 0 0 "[ . 1 .]" 1
1028 1 42 ALA MB 1 43 GLY QA 3.531 . 5.090 3.657 3.572 3.775 . 0 0 "[ . 1 .]" 1
1029 1 75 ARG HA 1 75 ARG QB 2.286 . 2.939 2.172 2.163 2.182 . 0 0 "[ . 1 .]" 1
1030 1 75 ARG HA 1 75 ARG HG3 3.268 . 4.603 3.352 3.187 3.618 . 0 0 "[ . 1 .]" 1
1031 1 38 THR HA 1 38 THR MG 1.867 . 2.303 1.968 1.934 1.984 . 0 0 "[ . 1 .]" 1
1032 1 23 LYS HB2 1 24 PRO QD 3.345 . 4.744 3.979 3.743 4.380 . 0 0 "[ . 1 .]" 1
1033 1 19 VAL HB 1 19 VAL QG 2.007 . 2.511 1.893 1.891 1.895 . 0 0 "[ . 1 .]" 1
1034 1 17 GLN HA 1 17 GLN QG 2.453 . 3.205 2.482 2.403 2.958 . 0 0 "[ . 1 .]" 1
1035 1 17 GLN HA 1 17 GLN QB 2.112 . 2.669 2.362 2.335 2.394 . 0 0 "[ . 1 .]" 1
1036 1 17 GLN QB 1 17 GLN HG3 2.055 . 2.583 2.124 2.116 2.126 . 0 0 "[ . 1 .]" 1
1037 1 14 ASP HA 1 14 ASP QB 2.470 . 3.233 2.427 2.386 2.461 . 0 0 "[ . 1 .]" 1
1038 1 8 GLU HA 1 8 GLU QG 2.556 . 3.373 2.453 2.413 2.512 . 0 0 "[ . 1 .]" 1
1039 1 8 GLU HB2 1 8 GLU QG 2.352 . 3.043 2.347 2.314 2.379 . 0 0 "[ . 1 .]" 1
1040 1 8 GLU HB3 1 8 GLU QG 2.493 . 3.270 2.333 2.299 2.374 . 0 0 "[ . 1 .]" 1
1041 1 7 ASP HA 1 7 ASP QB 2.284 . 2.936 2.354 2.182 2.507 . 0 0 "[ . 1 .]" 1
1042 1 4 GLU HA 1 4 GLU QG 2.371 . 3.074 2.703 2.466 3.493 0.419 2 0 "[ . 1 .]" 1
1043 1 4 GLU HB3 1 4 GLU QG 1.979 . 2.469 2.327 2.156 2.397 . 0 0 "[ . 1 .]" 1
1044 1 4 GLU HB2 1 4 GLU QG 2.107 . 2.662 2.282 2.153 2.389 . 0 0 "[ . 1 .]" 1
1045 1 3 MET HA 1 3 MET QB 2.166 . 2.753 2.379 2.322 2.448 . 0 0 "[ . 1 .]" 1
1046 1 3 MET HA 1 3 MET HB3 2.461 . 3.218 2.322 2.212 2.429 . 0 0 "[ . 1 .]" 1
1047 1 84 LEU HB2 1 84 LEU QD 2.332 . 3.012 2.278 2.250 2.317 . 0 0 "[ . 1 .]" 1
1048 1 81 ILE HA 1 81 ILE MD 2.058 . 2.587 1.936 1.909 1.959 . 0 0 "[ . 1 .]" 1
1049 1 81 ILE MD 1 81 ILE HG13 1.983 . 2.475 1.979 1.973 1.987 . 0 0 "[ . 1 .]" 1
1050 1 87 ARG HD3 1 87 ARG QG 2.227 . 2.847 2.351 2.302 2.471 . 0 0 "[ . 1 .]" 1
1051 1 83 LYS HA 1 83 LYS QG 2.365 . 3.064 2.423 2.361 2.480 . 0 0 "[ . 1 .]" 1
1052 1 83 LYS QE 1 83 LYS HG2 2.802 . 3.783 2.518 2.320 2.911 . 0 0 "[ . 1 .]" 1
1053 1 83 LYS HA 1 83 LYS QD 3.821 . 5.646 3.996 3.209 4.214 . 0 0 "[ . 1 .]" 1
1054 1 75 ARG QB 1 75 ARG HD3 2.307 . 2.972 2.358 2.275 2.444 . 0 0 "[ . 1 .]" 1
1055 1 72 LYS HA 1 72 LYS QB 2.089 . 2.635 2.384 2.360 2.407 . 0 0 "[ . 1 .]" 1
1056 1 72 LYS QB 1 72 LYS QE 4.069 . 6.138 3.556 3.519 3.657 . 0 0 "[ . 1 .]" 1
1057 1 72 LYS QB 1 72 LYS HG2 2.447 . 3.195 2.337 2.293 2.378 . 0 0 "[ . 1 .]" 1
1058 1 72 LYS QB 1 72 LYS HG3 2.157 . 2.739 2.345 2.302 2.390 . 0 0 "[ . 1 .]" 1
1059 1 72 LYS HA 1 72 LYS QD 3.905 . 5.811 3.989 3.916 4.051 . 0 0 "[ . 1 .]" 1
1060 1 72 LYS QE 1 72 LYS HG3 2.190 . 2.790 2.410 2.322 2.820 0.030 11 0 "[ . 1 .]" 1
1061 1 72 LYS QE 1 72 LYS HG2 2.315 . 2.985 2.495 2.357 2.890 . 0 0 "[ . 1 .]" 1
1062 1 72 LYS QD 1 72 LYS HE3 1.887 . 2.332 2.127 2.121 2.130 . 0 0 "[ . 1 .]" 1
1063 1 72 LYS HA 1 72 LYS QE 4.022 . 6.044 4.650 4.478 4.955 . 0 0 "[ . 1 .]" 1
1064 1 7 ASP QB 1 29 VAL MG1 3.863 . 5.729 4.572 4.350 4.807 . 0 0 "[ . 1 .]" 1
1065 1 57 LYS HB3 1 57 LYS QE 3.845 . 5.693 3.817 2.082 4.205 . 0 0 "[ . 1 .]" 1
1066 1 57 LYS QD 1 57 LYS QE 2.227 . 2.847 2.047 1.994 2.092 . 0 0 "[ . 1 .]" 1
1067 1 57 LYS HA 1 57 LYS QD 3.724 . 5.458 3.999 3.880 4.233 . 0 0 "[ . 1 .]" 1
1068 1 5 ARG HA 1 5 ARG QB 2.294 . 2.952 2.254 2.115 2.338 . 0 0 "[ . 1 .]" 1
1069 1 5 ARG QB 1 5 ARG HD3 2.436 . 3.178 2.380 2.168 2.472 . 0 0 "[ . 1 .]" 1
1070 1 44 LYS QE 1 44 LYS HG3 3.330 . 4.716 2.620 2.299 3.522 . 0 0 "[ . 1 .]" 1
1071 1 39 LYS HA 1 39 LYS QG 2.627 . 3.490 2.656 2.417 3.080 . 0 0 "[ . 1 .]" 1
1072 1 39 LYS HB2 1 39 LYS QG 2.639 . 3.510 2.289 2.168 2.360 . 0 0 "[ . 1 .]" 1
1073 1 39 LYS HB3 1 39 LYS QG 2.520 . 3.314 2.349 2.165 2.414 . 0 0 "[ . 1 .]" 1
1074 1 37 LEU HA 1 37 LEU QB 2.303 . 2.966 2.396 2.383 2.413 . 0 0 "[ . 1 .]" 1
1075 1 19 VAL MG1 1 37 LEU MD1 1.751 . 2.134 1.928 1.828 2.023 . 0 0 "[ . 1 .]" 1
1076 1 37 LEU QB 1 37 LEU MD1 1.911 . 2.367 1.881 1.878 1.883 . 0 0 "[ . 1 .]" 1
1077 1 37 LEU HB3 1 37 LEU MD2 1.831 . 2.250 1.993 1.978 1.998 . 0 0 "[ . 1 .]" 1
1078 1 34 CYS HA 1 34 CYS QB 2.560 . 3.379 2.188 2.184 2.194 . 0 0 "[ . 1 .]" 1
1079 1 5 ARG HA 1 5 ARG QG 2.685 . 3.586 2.480 2.349 2.569 . 0 0 "[ . 1 .]" 1
1080 1 5 ARG HA 1 5 ARG QD 3.470 . 4.975 4.092 3.937 4.255 . 0 0 "[ . 1 .]" 1
1081 1 48 PRO HD2 1 48 PRO QG 2.953 . 4.043 2.185 2.176 2.189 . 0 0 "[ . 1 .]" 1
1082 1 4 GLU HA 1 4 GLU QG 2.765 . 3.720 2.612 2.402 3.133 . 0 0 "[ . 1 .]" 1
1083 1 70 PHE HB2 1 74 HIS HB3 3.239 . 4.550 2.493 2.384 2.629 . 0 0 "[ . 1 .]" 1
1084 1 8 GLU QG 1 13 GLY HA3 4.180 . 6.364 4.304 4.161 4.505 . 0 0 "[ . 1 .]" 1
1085 1 23 LYS HA 1 24 PRO QD 2.508 . 3.294 1.956 1.864 2.003 . 0 0 "[ . 1 .]" 1
1086 1 23 LYS HA 1 23 LYS HD3 3.287 . 4.638 2.508 2.066 3.216 . 0 0 "[ . 1 .]" 1
1087 1 87 ARG HB2 1 89 SER HB2 3.072 . 6.000 4.187 3.516 5.361 . 0 0 "[ . 1 .]" 1
1088 1 61 SER HB2 1 75 ARG QB 4.145 . 6.293 3.716 3.451 3.971 . 0 0 "[ . 1 .]" 1
1089 1 78 MET HA 1 78 MET QG 3.535 . 5.097 2.946 2.883 3.027 . 0 0 "[ . 1 .]" 1
1090 1 75 ARG HA 1 76 GLU HG2 4.186 . 6.377 5.030 4.901 5.148 . 0 0 "[ . 1 .]" 1
1091 1 5 ARG QB 1 20 SER HB3 4.049 . 6.099 4.632 3.629 6.109 0.010 11 0 "[ . 1 .]" 1
1092 1 63 CYS QB 1 68 SER HB3 3.746 . 5.500 4.217 3.915 4.501 . 0 0 "[ . 1 .]" 1
1093 1 63 CYS QB 1 68 SER HB2 2.979 . 4.088 3.036 2.713 3.493 . 0 0 "[ . 1 .]" 1
1094 1 64 GLU HA 1 64 GLU QB 3.184 . 4.451 2.369 2.342 2.403 . 0 0 "[ . 1 .]" 1
1095 1 61 SER HB2 1 63 CYS HA 3.659 . 5.333 5.192 4.996 5.321 . 0 0 "[ . 1 .]" 1
1096 1 61 SER HB3 1 75 ARG QB 3.543 . 5.112 3.489 3.060 3.887 . 0 0 "[ . 1 .]" 1
1097 1 61 SER HB3 1 75 ARG HG3 4.245 . 6.497 4.448 4.163 4.682 . 0 0 "[ . 1 .]" 1
1098 1 60 ALA HA 1 62 PHE QE 3.237 . 4.547 3.634 3.379 3.850 . 0 0 "[ . 1 .]" 1
1099 1 52 CYS HB3 1 59 ALA MB 3.850 . 5.703 4.163 4.006 4.285 . 0 0 "[ . 1 .]" 1
1100 1 58 GLU QG 1 59 ALA MB 3.519 . 5.067 4.222 3.883 5.007 . 0 0 "[ . 1 .]" 1
1101 1 52 CYS HB3 1 54 VAL MG2 3.791 . 5.588 4.121 4.045 4.184 . 0 0 "[ . 1 .]" 1
1102 1 23 LYS QE 1 23 LYS HG2 2.547 . 3.358 2.788 2.438 3.319 . 0 0 "[ . 1 .]" 1
1103 1 23 LYS HD3 1 23 LYS HE2 2.216 . 2.830 2.187 2.147 2.268 . 0 0 "[ . 1 .]" 1
1104 1 23 LYS HD2 1 23 LYS QE 2.384 . 3.095 2.340 2.178 2.383 . 0 0 "[ . 1 .]" 1
1105 1 51 GLN HA 1 51 GLN QB 2.352 . 3.044 2.357 2.336 2.370 . 0 0 "[ . 1 .]" 1
1106 1 43 GLY QA 1 44 LYS HB2 4.753 . 7.576 4.316 4.091 4.452 . 0 0 "[ . 1 .]" 1
1107 1 43 GLY QA 1 44 LYS QD 4.342 . 6.699 5.252 4.620 6.154 . 0 0 "[ . 1 .]" 1
1108 1 72 LYS QD 1 72 LYS HG2 2.199 . 2.803 2.340 2.318 2.386 . 0 0 "[ . 1 .]" 1
1109 1 40 ARG QD 1 40 ARG HG2 2.296 . 2.955 2.294 2.170 2.388 . 0 0 "[ . 1 .]" 1
1110 1 40 ARG QD 1 40 ARG HG3 2.454 . 3.207 2.284 2.170 2.397 . 0 0 "[ . 1 .]" 1
1111 1 5 ARG QD 1 20 SER HB3 2.898 . 3.948 3.177 2.099 4.093 0.145 9 0 "[ . 1 .]" 1
1112 1 5 ARG QD 1 20 SER HB2 2.939 . 4.019 2.788 2.147 4.314 0.295 9 0 "[ . 1 .]" 1
1113 1 37 LEU QB 1 37 LEU MD1 2.381 . 3.090 2.097 2.090 2.103 . 0 0 "[ . 1 .]" 1
1114 1 35 LEU HB2 1 35 LEU MD2 3.027 . 4.173 2.701 2.573 2.778 . 0 0 "[ . 1 .]" 1
1115 1 7 ASP QB 1 15 ALA MB 3.148 . 4.387 3.924 3.352 4.794 0.407 4 0 "[ . 1 .]" 1
1116 1 83 LYS QD 1 83 LYS QE 1.938 . 2.408 2.031 1.990 2.090 . 0 0 "[ . 1 .]" 1
1117 1 83 LYS HA 1 83 LYS QE 4.289 . 6.588 4.616 4.024 5.068 . 0 0 "[ . 1 .]" 1
1118 1 39 LYS QE 1 39 LYS HG2 2.878 . 3.913 2.569 2.265 2.934 . 0 0 "[ . 1 .]" 1
1119 1 23 LYS QB 1 23 LYS HD2 3.044 . 4.202 2.477 2.270 3.485 . 0 0 "[ . 1 .]" 1
1120 1 23 LYS QB 1 23 LYS HD3 2.706 . 3.621 2.740 2.422 3.316 . 0 0 "[ . 1 .]" 1
1121 1 40 ARG HA 1 40 ARG QD 4.133 . 6.269 4.144 3.925 4.487 . 0 0 "[ . 1 .]" 1
1122 1 19 VAL QG 1 45 TRP HH2 3.311 . 4.681 3.084 2.932 3.225 . 0 0 "[ . 1 .]" 1
1123 1 91 THR MG 1 93 HIS HD2 4.366 . 6.748 5.558 5.366 5.938 . 0 0 "[ . 1 .]" 1
1124 1 45 TRP QB 1 46 GLU H 3.945 . 5.891 3.764 3.635 3.888 . 0 0 "[ . 1 .]" 1
1125 1 44 LYS HB2 1 46 GLU H 3.123 . 6.000 5.759 5.313 6.374 0.374 7 0 "[ . 1 .]" 1
1126 1 51 GLN QB 1 51 GLN HE22 3.960 . 5.920 4.131 4.022 4.422 . 0 0 "[ . 1 .]" 1
1127 1 51 GLN QB 1 51 GLN HE21 3.750 . 5.508 3.586 3.454 4.025 . 0 0 "[ . 1 .]" 1
1128 1 49 TRP HE1 1 63 CYS HA 4.208 . 6.422 4.478 4.364 4.592 . 0 0 "[ . 1 .]" 1
1129 1 23 LYS H 1 24 PRO QD 4.473 . 6.974 4.125 3.899 4.314 . 0 0 "[ . 1 .]" 1
1130 1 21 CYS HB3 1 47 CYS H 3.927 . 5.855 4.174 4.015 4.395 . 0 0 "[ . 1 .]" 1
1131 1 23 LYS H 1 23 LYS QB 2.721 . 3.647 2.441 2.349 2.572 . 0 0 "[ . 1 .]" 1
1132 1 92 GLU H 1 92 GLU QG 2.657 . 3.539 2.453 2.127 2.766 . 0 0 "[ . 1 .]" 1
1133 1 89 SER H 1 89 SER QB 2.965 . 4.064 2.549 2.464 2.936 . 0 0 "[ . 1 .]" 1
1134 1 88 LEU H 1 88 LEU HB2 2.210 . 2.820 2.180 2.147 2.196 . 0 0 "[ . 1 .]" 1
1135 1 87 ARG H 1 87 ARG HB3 2.419 . 3.151 3.191 2.403 3.320 0.169 14 0 "[ . 1 .]" 1
1136 1 81 ILE MD 1 87 ARG H 3.579 . 5.180 3.700 3.435 4.085 . 0 0 "[ . 1 .]" 1
1137 1 84 LEU HB2 1 86 GLY H 3.955 . 5.910 4.219 4.049 4.339 . 0 0 "[ . 1 .]" 1
1138 1 84 LEU H 1 84 LEU QD 3.404 . 4.852 3.072 2.139 3.213 . 0 0 "[ . 1 .]" 1
1139 1 83 LYS QB 1 84 LEU H 2.948 . 4.034 3.119 2.874 3.363 . 0 0 "[ . 1 .]" 1
1140 1 83 LYS HA 1 84 LEU H 2.431 . 3.170 2.724 2.687 2.757 . 0 0 "[ . 1 .]" 1
1141 1 64 GLU H 1 88 LEU HG 3.815 . 5.634 4.729 4.622 4.976 . 0 0 "[ . 1 .]" 1
1142 1 81 ILE H 1 81 ILE MD 3.403 . 4.851 3.319 3.265 3.359 . 0 0 "[ . 1 .]" 1
1143 1 78 MET QG 1 79 LEU H 4.568 . 7.177 4.153 4.054 4.270 . 0 0 "[ . 1 .]" 1
1144 1 33 ASP H 1 33 ASP QB 2.487 . 3.260 2.319 2.232 2.633 . 0 0 "[ . 1 .]" 1
1145 1 76 GLU H 1 76 GLU QG 3.035 . 4.187 2.341 2.142 2.515 . 0 0 "[ . 1 .]" 1
1146 1 70 PHE HB3 1 75 ARG H 3.765 . 5.537 3.466 3.356 3.649 . 0 0 "[ . 1 .]" 1
1147 1 75 ARG H 1 76 GLU QG 4.211 . 6.428 3.783 3.520 4.173 . 0 0 "[ . 1 .]" 1
1148 1 75 ARG H 1 75 ARG HB2 2.130 . 2.697 2.099 1.936 2.215 . 0 0 "[ . 1 .]" 1
1149 1 52 CYS HB3 1 71 CYS H 3.263 . 4.594 3.263 3.225 3.297 . 0 0 "[ . 1 .]" 1
1150 1 70 PHE H 1 75 ARG QB 3.899 . 5.799 4.323 4.143 4.568 . 0 0 "[ . 1 .]" 1
1151 1 66 CYS HA 1 68 SER H 3.372 . 4.793 3.646 3.514 3.754 . 0 0 "[ . 1 .]" 1
1152 1 66 CYS HB3 1 68 SER H 3.343 . 4.740 3.174 3.023 3.459 . 0 0 "[ . 1 .]" 1
1153 1 63 CYS H 1 63 CYS QB 2.765 . 3.720 2.314 2.292 2.327 . 0 0 "[ . 1 .]" 1
1154 1 62 PHE H 1 63 CYS H 4.205 . 6.415 3.906 3.760 3.971 . 0 0 "[ . 1 .]" 1
1155 1 61 SER HB3 1 62 PHE H 3.822 . 5.648 2.771 2.725 2.824 . 0 0 "[ . 1 .]" 1
1156 1 61 SER H 1 75 ARG QB 3.894 . 5.790 3.716 3.616 3.822 . 0 0 "[ . 1 .]" 1
1157 1 58 GLU QG 1 59 ALA H 3.280 . 4.625 3.058 2.663 4.079 . 0 0 "[ . 1 .]" 1
1158 1 51 GLN QB 1 56 GLY H 4.005 . 6.010 4.546 4.346 4.705 . 0 0 "[ . 1 .]" 1
1159 1 52 CYS HB3 1 55 CYS H 2.780 . 3.746 2.558 2.478 2.625 . 0 0 "[ . 1 .]" 1
1160 1 43 GLY QA 1 45 TRP H 4.239 . 6.486 5.001 4.855 5.244 . 0 0 "[ . 1 .]" 1
1161 1 39 LYS H 1 39 LYS QG 3.068 . 4.244 3.187 2.503 4.060 . 0 0 "[ . 1 .]" 1
1162 1 37 LEU QB 1 38 THR H 3.912 . 5.825 3.821 3.641 3.882 . 0 0 "[ . 1 .]" 1
1163 1 35 LEU MD1 1 37 LEU H 3.858 . 5.718 3.676 3.600 3.733 . 0 0 "[ . 1 .]" 1
1164 1 35 LEU HB3 1 36 ASN H 3.402 . 4.849 3.644 3.608 3.706 . 0 0 "[ . 1 .]" 1
1165 1 34 CYS H 1 34 CYS QB 2.581 . 3.414 2.762 2.729 2.805 . 0 0 "[ . 1 .]" 1
1166 1 33 ASP QB 1 34 CYS H 3.171 . 4.428 2.639 2.441 3.427 . 0 0 "[ . 1 .]" 1
1167 1 24 PRO HA 1 25 GLY H 2.398 . 3.117 2.020 2.001 2.049 . 0 0 "[ . 1 .]" 1
1168 1 31 HIS HD2 1 32 ALA H 4.175 . 6.354 3.972 3.921 4.060 . 0 0 "[ . 1 .]" 1
1169 1 31 HIS H 1 31 HIS HE1 3.854 . 5.710 4.040 3.988 4.110 . 0 0 "[ . 1 .]" 1
1170 1 12 CYS HB3 1 31 HIS H 3.009 . 6.000 4.814 4.754 4.884 . 0 0 "[ . 1 .]" 1
1171 1 28 LYS H 1 28 LYS HB2 3.262 . 4.592 2.263 2.145 2.396 . 0 0 "[ . 1 .]" 1
1172 1 24 PRO HA 1 26 CYS H 2.914 . 3.975 3.013 2.857 3.129 . 0 0 "[ . 1 .]" 1
1173 1 20 SER H 1 20 SER QB 2.631 . 3.496 2.364 2.321 2.410 . 0 0 "[ . 1 .]" 1
1174 1 5 ARG QD 1 20 SER H 4.226 . 6.459 4.838 4.045 6.262 . 0 0 "[ . 1 .]" 1
1175 1 5 ARG HB3 1 20 SER H 4.618 . 7.284 5.426 4.490 6.878 . 0 0 "[ . 1 .]" 1
1176 1 19 VAL MG2 1 20 SER H 2.747 . 3.690 2.512 2.465 2.585 . 0 0 "[ . 1 .]" 1
1177 1 17 GLN QB 1 18 LEU H 3.973 . 5.946 4.008 3.988 4.050 . 0 0 "[ . 1 .]" 1
1178 1 17 GLN H 1 17 GLN QG 4.058 . 6.117 4.012 3.965 4.197 . 0 0 "[ . 1 .]" 1
1179 1 17 GLN H 1 17 GLN QB 2.476 . 3.243 2.374 2.251 2.991 . 0 0 "[ . 1 .]" 1
1180 1 15 ALA HA 1 16 GLY H 2.365 . 3.064 2.260 2.236 2.286 . 0 0 "[ . 1 .]" 1
1181 1 8 GLU QG 1 16 GLY H 4.883 . 7.864 5.700 5.277 6.061 . 0 0 "[ . 1 .]" 1
1182 1 11 SER QB 1 12 CYS H 2.703 . 3.616 2.747 2.557 2.922 . 0 0 "[ . 1 .]" 1
1183 1 10 PHE H 1 10 PHE QD 4.322 . 6.657 3.073 2.851 3.207 . 0 0 "[ . 1 .]" 1
1184 1 7 ASP QB 1 8 GLU H 3.583 . 5.188 3.913 3.720 4.010 . 0 0 "[ . 1 .]" 1
1185 1 8 GLU H 1 8 GLU QG 3.282 . 4.629 4.150 4.106 4.180 . 0 0 "[ . 1 .]" 1
1186 1 7 ASP H 1 7 ASP QB 2.686 . 3.588 2.538 2.287 2.906 . 0 0 "[ . 1 .]" 1
1187 1 4 GLU HA 1 5 ARG H 2.182 . 2.777 2.317 1.973 2.795 0.018 6 0 "[ . 1 .]" 1
1188 1 5 ARG H 1 5 ARG QD 4.943 . 7.998 4.689 4.268 5.226 . 0 0 "[ . 1 .]" 1
1189 1 2 ALA HA 1 3 MET H 2.647 . 3.523 2.470 2.013 2.795 . 0 0 "[ . 1 .]" 1
1190 1 3 MET H 1 3 MET QG 4.530 . 7.095 3.741 2.463 4.512 . 0 0 "[ . 1 .]" 1
1191 1 79 LEU H 1 79 LEU QD 3.628 . 5.273 3.866 3.833 3.895 . 0 0 "[ . 1 .]" 1
1192 1 9 CYS HB2 1 31 HIS HD2 3.089 . 4.281 3.831 3.722 3.890 . 0 0 "[ . 1 .]" 1
1193 1 66 CYS HA 1 93 HIS HE1 4.513 . 7.059 4.438 4.276 4.562 . 0 0 "[ . 1 .]" 1
1194 1 23 LYS QB 1 50 HIS HE1 3.711 . 5.432 4.495 4.068 5.199 . 0 0 "[ . 1 .]" 1
1195 1 10 PHE HB3 1 30 TYR QE 3.879 . 5.760 2.036 1.893 2.214 0.105 5 0 "[ . 1 .]" 1
1196 1 19 VAL QG 1 45 TRP HZ2 3.481 . 4.995 4.004 3.640 4.210 . 0 0 "[ . 1 .]" 1
1197 1 60 ALA MB 1 62 PHE QE 4.563 . 7.166 4.624 4.462 4.778 . 0 0 "[ . 1 .]" 1
1198 1 21 CYS HB3 1 45 TRP HH2 4.073 . 6.147 3.359 3.165 3.529 . 0 0 "[ . 1 .]" 1
1199 1 21 CYS HB3 1 50 HIS HE1 4.628 . 7.305 5.023 4.896 5.117 . 0 0 "[ . 1 .]" 1
1200 1 23 LYS QB 1 50 HIS HD2 4.070 . 6.140 3.547 3.007 4.145 . 0 0 "[ . 1 .]" 1
1201 1 23 LYS HD3 1 50 HIS HD2 4.442 . 6.909 3.587 2.149 5.058 . 0 0 "[ . 1 .]" 1
1202 1 73 GLN QG 1 74 HIS HE1 4.898 . 7.897 5.502 4.978 6.143 . 0 0 "[ . 1 .]" 1
1203 1 74 HIS HD2 1 76 GLU HB2 4.305 . 6.622 4.659 4.437 4.911 . 0 0 "[ . 1 .]" 1
1204 1 65 MET HG2 1 93 HIS HE1 4.796 . 7.671 5.780 5.223 6.137 . 0 0 "[ . 1 .]" 1
1205 1 19 VAL QG 1 20 SER HA 3.181 . 4.446 3.659 3.576 3.691 . 0 0 "[ . 1 .]" 1
1206 1 45 TRP HE3 1 46 GLU HA 3.984 . 5.968 4.312 4.106 4.602 . 0 0 "[ . 1 .]" 1
1207 1 58 GLU QG 1 59 ALA HA 4.291 . 6.593 4.197 3.920 4.353 . 0 0 "[ . 1 .]" 1
1208 1 10 PHE HZ 1 64 GLU QB 3.852 . 5.707 3.867 3.699 4.181 . 0 0 "[ . 1 .]" 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 7
_Distance_constraint_stats_list.Viol_count 27
_Distance_constraint_stats_list.Viol_total 27.826
_Distance_constraint_stats_list.Viol_max 0.429
_Distance_constraint_stats_list.Viol_rms 0.0500
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0177
_Distance_constraint_stats_list.Viol_average_violations_only 0.0687
_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 19 VAL 0.956 0.108 8 0 "[ . 1 .]"
1 30 TYR 0.956 0.108 8 0 "[ . 1 .]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 .]"
1 52 CYS 0.178 0.060 1 0 "[ . 1 .]"
1 53 ASP 0.005 0.005 1 0 "[ . 1 .]"
1 57 LYS 0.178 0.060 1 0 "[ . 1 .]"
1 59 ALA 0.000 0.000 . 0 "[ . 1 .]"
1 63 CYS 0.717 0.429 1 0 "[ . 1 .]"
1 66 CYS 0.079 0.052 15 0 "[ . 1 .]"
1 68 SER 0.637 0.429 1 0 "[ . 1 .]"
1 69 SER 0.005 0.005 1 0 "[ . 1 .]"
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 53 ASP H 1 69 SER O 2.200 . 2.700 1.810 1.725 1.915 0.005 1 0 "[ . 1 .]" 2
2 1 63 CYS H 1 68 SER O 2.200 . 2.700 2.524 2.054 3.129 0.429 1 0 "[ . 1 .]" 2
3 1 63 CYS O 1 66 CYS H 2.200 . 2.700 2.641 2.505 2.752 0.052 15 0 "[ . 1 .]" 2
4 1 52 CYS H 1 57 LYS O 2.200 . 2.700 1.743 1.670 1.909 0.060 1 0 "[ . 1 .]" 2
5 1 19 VAL H 1 30 TYR O 2.200 . 2.700 1.666 1.622 1.716 0.108 8 0 "[ . 1 .]" 2
6 1 19 VAL O 1 30 TYR H 2.200 . 2.700 2.237 2.133 2.362 . 0 0 "[ . 1 .]" 2
7 1 50 HIS O 1 59 ALA H 2.200 . 2.700 1.913 1.769 2.096 . 0 0 "[ . 1 .]" 2
stop_
save_
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