NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
403598 |
1wmt   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1wmt
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 663
_Distance_constraint_stats_list.Viol_count 1853
_Distance_constraint_stats_list.Viol_total 3814.281
_Distance_constraint_stats_list.Viol_max 0.329
_Distance_constraint_stats_list.Viol_rms 0.0459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0144
_Distance_constraint_stats_list.Viol_average_violations_only 0.1029
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 VAL 2.776 0.150 8 0 "[ . 1 . 2]"
1 2 HIS 8.784 0.272 7 0 "[ . 1 . 2]"
1 3 THR 5.784 0.203 19 0 "[ . 1 . 2]"
1 4 ASN 10.615 0.276 15 0 "[ . 1 . 2]"
1 5 ILE 22.846 0.290 12 0 "[ . 1 . 2]"
1 6 PRO 12.782 0.290 12 0 "[ . 1 . 2]"
1 7 CYS 8.928 0.235 5 0 "[ . 1 . 2]"
1 8 ARG 5.406 0.235 5 0 "[ . 1 . 2]"
1 9 GLY 3.313 0.165 15 0 "[ . 1 . 2]"
1 10 THR 6.444 0.284 17 0 "[ . 1 . 2]"
1 11 SER 3.176 0.201 18 0 "[ . 1 . 2]"
1 12 ASP 10.322 0.243 15 0 "[ . 1 . 2]"
1 13 CYS 0.040 0.040 7 0 "[ . 1 . 2]"
1 14 TYR 20.241 0.283 7 0 "[ . 1 . 2]"
1 15 GLU 5.377 0.188 5 0 "[ . 1 . 2]"
1 16 PRO 7.773 0.242 10 0 "[ . 1 . 2]"
1 17 CYS 7.686 0.293 9 0 "[ . 1 . 2]"
1 18 GLU 23.363 0.329 5 0 "[ . 1 . 2]"
1 19 LYS 3.479 0.208 12 0 "[ . 1 . 2]"
1 20 LYS 8.361 0.316 7 0 "[ . 1 . 2]"
1 21 TYR 10.263 0.260 2 0 "[ . 1 . 2]"
1 22 ASN 5.081 0.279 2 0 "[ . 1 . 2]"
1 23 CYS 5.418 0.199 13 0 "[ . 1 . 2]"
1 24 ALA 10.938 0.297 11 0 "[ . 1 . 2]"
1 25 ARG 5.296 0.220 15 0 "[ . 1 . 2]"
1 26 ALA 2.285 0.153 15 0 "[ . 1 . 2]"
1 27 LYS 3.709 0.140 9 0 "[ . 1 . 2]"
1 28 CYS 6.923 0.284 17 0 "[ . 1 . 2]"
1 29 MET 2.926 0.199 18 0 "[ . 1 . 2]"
1 30 ASN 4.034 0.280 10 0 "[ . 1 . 2]"
1 31 ARG 10.041 0.252 4 0 "[ . 1 . 2]"
1 32 HIS 8.884 0.185 16 0 "[ . 1 . 2]"
1 33 CYS 5.867 0.271 13 0 "[ . 1 . 2]"
1 34 ASN 3.368 0.140 9 0 "[ . 1 . 2]"
1 35 CYS 7.763 0.324 14 0 "[ . 1 . 2]"
1 36 TYR 8.492 0.265 5 0 "[ . 1 . 2]"
1 37 ASN 1.522 0.126 6 0 "[ . 1 . 2]"
1 38 ASN 2.347 0.269 2 0 "[ . 1 . 2]"
1 39 CYS 7.491 0.297 11 0 "[ . 1 . 2]"
1 40 PRO 4.483 0.218 3 0 "[ . 1 . 2]"
1 41 TRP 1.331 0.151 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 VAL HA 1 2 HIS HA 4.000 . 5.000 4.466 4.405 4.504 . 0 0 "[ . 1 . 2]" 1
2 1 1 VAL HA 1 2 HIS HB2 4.000 . 5.000 4.632 4.423 4.911 . 0 0 "[ . 1 . 2]" 1
3 1 1 VAL HA 1 2 HIS HB3 4.000 . 5.000 4.749 4.447 4.934 . 0 0 "[ . 1 . 2]" 1
4 1 1 VAL HB 1 2 HIS H 4.000 . 5.000 4.547 3.526 4.690 . 0 0 "[ . 1 . 2]" 1
5 1 1 VAL HB 1 35 CYS H 4.000 . 5.000 4.828 4.021 5.097 0.097 10 0 "[ . 1 . 2]" 1
6 1 1 VAL MG1 1 2 HIS H 4.000 . 5.000 3.947 3.377 4.095 . 0 0 "[ . 1 . 2]" 1
7 1 1 VAL MG1 1 3 THR H 4.000 . 5.000 4.171 3.229 5.114 0.114 11 0 "[ . 1 . 2]" 1
8 1 1 VAL MG1 1 3 THR HA 4.000 . 5.000 4.740 3.852 5.080 0.080 7 0 "[ . 1 . 2]" 1
9 1 1 VAL MG1 1 21 TYR QD 4.000 . 5.000 2.871 2.270 4.656 . 0 0 "[ . 1 . 2]" 1
10 1 1 VAL MG1 1 21 TYR QE 3.000 . 3.300 2.562 2.111 3.310 0.010 11 0 "[ . 1 . 2]" 1
11 1 1 VAL MG1 1 35 CYS H 4.000 . 5.000 2.355 1.789 4.782 0.011 13 0 "[ . 1 . 2]" 1
12 1 1 VAL MG1 1 35 CYS HB2 4.000 . 5.000 2.469 1.940 5.003 0.003 11 0 "[ . 1 . 2]" 1
13 1 1 VAL MG1 1 35 CYS HB3 4.000 . 5.000 3.308 2.054 4.901 . 0 0 "[ . 1 . 2]" 1
14 1 1 VAL MG2 1 2 HIS H 4.000 . 5.000 3.348 2.646 4.393 . 0 0 "[ . 1 . 2]" 1
15 1 1 VAL MG2 1 3 THR H 4.000 . 5.000 4.841 4.219 5.129 0.129 18 0 "[ . 1 . 2]" 1
16 1 1 VAL MG2 1 3 THR HA 4.000 . 5.000 4.529 4.103 5.067 0.067 11 0 "[ . 1 . 2]" 1
17 1 1 VAL MG2 1 21 TYR QD 4.000 . 5.000 3.691 2.411 4.416 . 0 0 "[ . 1 . 2]" 1
18 1 1 VAL MG2 1 21 TYR QE 3.000 . 3.300 2.971 2.146 3.406 0.106 5 0 "[ . 1 . 2]" 1
19 1 1 VAL MG2 1 35 CYS H 4.000 . 5.000 4.403 2.609 4.856 . 0 0 "[ . 1 . 2]" 1
20 1 1 VAL MG2 1 35 CYS HB2 4.000 . 6.000 4.668 2.260 5.197 . 0 0 "[ . 1 . 2]" 1
21 1 1 VAL MG2 1 35 CYS HB3 4.000 . 6.000 5.553 2.601 6.150 0.150 8 0 "[ . 1 . 2]" 1
22 1 1 VAL MG2 1 37 ASN H 4.000 . 5.000 4.920 3.621 5.126 0.126 6 0 "[ . 1 . 2]" 1
23 1 1 VAL MG2 1 37 ASN HD21 4.000 . 5.000 2.922 2.063 3.728 . 0 0 "[ . 1 . 2]" 1
24 1 1 VAL MG2 1 37 ASN HD22 4.000 . 5.000 3.232 1.795 4.613 0.005 12 0 "[ . 1 . 2]" 1
25 1 2 HIS H 1 2 HIS HA 2.500 . 2.700 2.855 2.845 2.874 0.174 18 0 "[ . 1 . 2]" 1
26 1 2 HIS H 1 2 HIS HB2 2.500 . 2.700 2.502 2.298 2.739 0.039 13 0 "[ . 1 . 2]" 1
27 1 2 HIS H 1 2 HIS HB3 2.500 . 2.700 2.578 2.287 2.780 0.080 16 0 "[ . 1 . 2]" 1
28 1 2 HIS H 1 3 THR H 4.000 . 5.000 4.462 4.030 4.608 . 0 0 "[ . 1 . 2]" 1
29 1 2 HIS HA 1 2 HIS HB2 2.500 . 2.700 2.500 2.364 2.605 . 0 0 "[ . 1 . 2]" 1
30 1 2 HIS HA 1 2 HIS HB3 2.500 . 2.700 2.962 2.944 2.972 0.272 7 0 "[ . 1 . 2]" 1
31 1 2 HIS HA 1 3 THR H 2.500 . 2.700 2.226 2.184 2.338 . 0 0 "[ . 1 . 2]" 1
32 1 2 HIS HA 1 3 THR MG 4.000 . 5.000 3.534 3.267 4.122 . 0 0 "[ . 1 . 2]" 1
33 1 2 HIS HA 1 34 ASN HA 4.000 . 5.000 2.264 2.071 2.420 . 0 0 "[ . 1 . 2]" 1
34 1 2 HIS HA 1 34 ASN HB3 4.000 . 5.000 4.476 4.138 4.970 . 0 0 "[ . 1 . 2]" 1
35 1 2 HIS HA 1 35 CYS H 4.000 . 6.000 3.677 2.989 4.098 . 0 0 "[ . 1 . 2]" 1
36 1 2 HIS HB2 1 3 THR H 4.000 . 5.000 4.426 4.236 4.661 . 0 0 "[ . 1 . 2]" 1
37 1 2 HIS HB3 1 3 THR H 4.000 . 5.000 4.200 3.908 4.417 . 0 0 "[ . 1 . 2]" 1
38 1 2 HIS HE1 1 32 HIS HB2 4.000 . 6.000 3.459 2.308 5.518 . 0 0 "[ . 1 . 2]" 1
39 1 2 HIS HE1 1 32 HIS HB3 4.000 . 6.000 4.065 3.116 5.807 . 0 0 "[ . 1 . 2]" 1
40 1 2 HIS HE1 1 34 ASN HD21 4.000 . 6.000 3.909 2.420 5.425 . 0 0 "[ . 1 . 2]" 1
41 1 2 HIS HE1 1 34 ASN HD22 4.000 . 6.000 4.784 3.180 6.031 0.031 9 0 "[ . 1 . 2]" 1
42 1 3 THR H 1 3 THR HB 4.000 . 5.000 3.756 3.618 3.861 . 0 0 "[ . 1 . 2]" 1
43 1 3 THR H 1 3 THR MG 2.500 . 2.700 2.428 1.962 2.723 0.023 5 0 "[ . 1 . 2]" 1
44 1 3 THR H 1 4 ASN H 4.000 . 5.000 4.534 4.482 4.617 . 0 0 "[ . 1 . 2]" 1
45 1 3 THR H 1 5 ILE H 4.000 . 6.000 4.625 4.485 4.817 . 0 0 "[ . 1 . 2]" 1
46 1 3 THR H 1 33 CYS H 4.000 . 6.000 4.699 4.460 4.913 . 0 0 "[ . 1 . 2]" 1
47 1 3 THR H 1 33 CYS HA 4.000 . 5.000 5.072 4.999 5.177 0.177 3 0 "[ . 1 . 2]" 1
48 1 3 THR H 1 34 ASN HA 2.500 . 2.700 2.272 1.882 2.663 . 0 0 "[ . 1 . 2]" 1
49 1 3 THR HA 1 3 THR MG 2.500 . 2.700 2.456 2.343 2.603 . 0 0 "[ . 1 . 2]" 1
50 1 3 THR HA 1 4 ASN H 2.500 . 2.700 2.432 2.366 2.497 . 0 0 "[ . 1 . 2]" 1
51 1 3 THR HA 1 4 ASN HB2 4.000 . 5.000 4.508 4.226 5.047 0.047 13 0 "[ . 1 . 2]" 1
52 1 3 THR HA 1 4 ASN HB3 4.000 . 5.000 4.605 4.102 5.031 0.031 11 0 "[ . 1 . 2]" 1
53 1 3 THR HA 1 5 ILE H 4.000 . 5.000 4.145 4.003 4.268 . 0 0 "[ . 1 . 2]" 1
54 1 3 THR HA 1 5 ILE HG12 4.000 . 5.000 5.155 5.122 5.203 0.203 19 0 "[ . 1 . 2]" 1
55 1 3 THR HB 1 4 ASN H 2.500 . 2.700 2.499 2.363 2.674 . 0 0 "[ . 1 . 2]" 1
56 1 3 THR HB 1 4 ASN HB3 4.000 . 5.000 4.966 4.733 5.096 0.096 10 0 "[ . 1 . 2]" 1
57 1 3 THR HB 1 5 ILE H 3.000 . 3.300 3.000 2.817 3.164 . 0 0 "[ . 1 . 2]" 1
58 1 3 THR HB 1 5 ILE HB 4.000 . 5.000 4.389 4.155 4.538 . 0 0 "[ . 1 . 2]" 1
59 1 3 THR HB 1 5 ILE MD 4.000 . 5.000 2.737 2.541 2.916 . 0 0 "[ . 1 . 2]" 1
60 1 3 THR HB 1 5 ILE HG12 3.000 . 3.300 3.089 2.919 3.265 . 0 0 "[ . 1 . 2]" 1
61 1 3 THR HB 1 5 ILE HG13 4.000 . 5.000 2.101 1.915 2.230 . 0 0 "[ . 1 . 2]" 1
62 1 3 THR MG 1 4 ASN H 4.000 . 5.000 3.884 3.662 4.023 . 0 0 "[ . 1 . 2]" 1
63 1 3 THR MG 1 5 ILE H 4.000 . 5.000 4.274 4.188 4.398 . 0 0 "[ . 1 . 2]" 1
64 1 3 THR MG 1 21 TYR QE 2.500 . 2.700 2.205 1.933 2.595 . 0 0 "[ . 1 . 2]" 1
65 1 3 THR MG 1 34 ASN HA 4.000 . 5.000 3.265 2.366 4.312 . 0 0 "[ . 1 . 2]" 1
66 1 3 THR MG 1 35 CYS HB2 4.000 . 5.000 4.296 2.915 4.922 . 0 0 "[ . 1 . 2]" 1
67 1 4 ASN H 1 4 ASN HB2 4.000 . 5.000 3.048 2.643 3.501 . 0 0 "[ . 1 . 2]" 1
68 1 4 ASN H 1 4 ASN HB3 3.000 . 3.300 2.533 2.246 2.792 . 0 0 "[ . 1 . 2]" 1
69 1 4 ASN H 1 5 ILE HA 4.000 . 6.000 4.510 4.451 4.628 . 0 0 "[ . 1 . 2]" 1
70 1 4 ASN H 1 5 ILE HB 4.000 . 5.000 5.065 5.010 5.112 0.112 5 0 "[ . 1 . 2]" 1
71 1 4 ASN H 1 5 ILE MD 4.000 . 5.000 4.403 4.258 4.510 . 0 0 "[ . 1 . 2]" 1
72 1 4 ASN H 1 5 ILE HG12 4.000 . 5.000 3.658 3.535 3.801 . 0 0 "[ . 1 . 2]" 1
73 1 4 ASN H 1 5 ILE HG13 4.000 . 5.000 3.110 2.936 3.208 . 0 0 "[ . 1 . 2]" 1
74 1 4 ASN H 1 32 HIS HD2 4.000 . 6.000 5.259 5.082 5.465 . 0 0 "[ . 1 . 2]" 1
75 1 4 ASN HA 1 4 ASN HB2 2.500 . 2.700 2.428 2.243 2.591 . 0 0 "[ . 1 . 2]" 1
76 1 4 ASN HA 1 4 ASN HB3 2.500 . 2.700 2.953 2.876 2.976 0.276 15 0 "[ . 1 . 2]" 1
77 1 4 ASN HA 1 5 ILE H 3.000 . 3.300 2.856 2.815 2.916 . 0 0 "[ . 1 . 2]" 1
78 1 4 ASN HA 1 5 ILE HB 4.000 . 5.000 5.181 5.139 5.225 0.225 9 0 "[ . 1 . 2]" 1
79 1 4 ASN HA 1 32 HIS HB2 4.000 . 5.000 3.672 3.414 3.955 . 0 0 "[ . 1 . 2]" 1
80 1 4 ASN HA 1 32 HIS HB3 4.000 . 5.000 2.238 2.046 2.551 . 0 0 "[ . 1 . 2]" 1
81 1 4 ASN HB2 1 5 ILE H 4.000 . 5.000 4.531 4.409 4.631 . 0 0 "[ . 1 . 2]" 1
82 1 4 ASN HB2 1 32 HIS HD2 4.000 . 5.000 4.578 3.857 4.907 . 0 0 "[ . 1 . 2]" 1
83 1 4 ASN HB3 1 5 ILE H 4.000 . 5.000 4.045 3.958 4.192 . 0 0 "[ . 1 . 2]" 1
84 1 4 ASN HB3 1 32 HIS HD2 4.000 . 5.000 4.564 4.070 5.013 0.013 7 0 "[ . 1 . 2]" 1
85 1 5 ILE H 1 5 ILE HB 2.500 . 2.700 2.598 2.535 2.643 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE H 1 5 ILE MD 4.000 . 5.000 3.461 3.383 3.500 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE H 1 5 ILE HG12 2.500 . 2.700 2.758 2.702 2.814 0.114 6 0 "[ . 1 . 2]" 1
88 1 5 ILE H 1 5 ILE HG13 4.000 . 5.000 1.714 1.654 1.753 0.146 6 0 "[ . 1 . 2]" 1
89 1 5 ILE H 1 5 ILE MG 4.000 . 5.000 3.722 3.706 3.735 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE H 1 6 PRO HD2 4.000 . 5.000 5.026 4.968 5.061 0.061 15 0 "[ . 1 . 2]" 1
91 1 5 ILE H 1 6 PRO HD3 4.000 . 5.000 4.508 4.391 4.595 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE H 1 32 HIS HA 4.000 . 6.000 4.001 3.589 4.269 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE H 1 32 HIS HB2 4.000 . 5.000 4.996 4.720 5.113 0.113 14 0 "[ . 1 . 2]" 1
94 1 5 ILE H 1 32 HIS HB3 4.000 . 6.000 3.281 3.003 3.444 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE H 1 32 HIS HD2 4.000 . 5.000 3.943 3.762 4.103 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE H 1 33 CYS H 4.000 . 5.000 2.481 2.283 2.673 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE H 1 33 CYS HB3 4.000 . 6.000 4.125 3.182 4.840 . 0 0 "[ . 1 . 2]" 1
98 1 5 ILE HA 1 5 ILE MD 4.000 . 5.000 3.788 3.726 3.852 . 0 0 "[ . 1 . 2]" 1
99 1 5 ILE HA 1 5 ILE HG12 4.000 . 5.000 2.571 2.509 2.628 . 0 0 "[ . 1 . 2]" 1
100 1 5 ILE HA 1 5 ILE HG13 4.000 . 5.000 3.274 3.230 3.313 . 0 0 "[ . 1 . 2]" 1
101 1 5 ILE HA 1 5 ILE MG 3.000 . 3.300 2.249 2.146 2.332 . 0 0 "[ . 1 . 2]" 1
102 1 5 ILE HA 1 6 PRO HB2 4.000 . 6.000 5.496 5.478 5.529 . 0 0 "[ . 1 . 2]" 1
103 1 5 ILE HA 1 6 PRO HB3 4.000 . 5.000 4.971 4.899 5.035 0.035 17 0 "[ . 1 . 2]" 1
104 1 5 ILE HA 1 6 PRO HD3 2.500 . 2.700 2.021 1.973 2.072 . 0 0 "[ . 1 . 2]" 1
105 1 5 ILE HA 1 6 PRO HG2 4.000 . 5.000 4.395 4.351 4.453 . 0 0 "[ . 1 . 2]" 1
106 1 5 ILE HA 1 6 PRO HG3 4.000 . 5.000 4.238 4.210 4.277 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE HA 1 32 HIS HD2 4.000 . 6.000 4.059 3.869 4.194 . 0 0 "[ . 1 . 2]" 1
108 1 5 ILE HB 1 6 PRO HD3 4.000 . 5.000 4.645 4.551 4.693 . 0 0 "[ . 1 . 2]" 1
109 1 5 ILE HB 1 7 CYS H 4.000 . 5.000 5.126 5.038 5.180 0.180 13 0 "[ . 1 . 2]" 1
110 1 5 ILE HB 1 33 CYS H 4.000 . 5.000 2.421 2.194 2.676 . 0 0 "[ . 1 . 2]" 1
111 1 5 ILE HB 1 33 CYS HB3 3.000 . 3.300 3.323 2.333 3.426 0.126 11 0 "[ . 1 . 2]" 1
112 1 5 ILE MD 1 6 PRO HD2 4.000 . 5.000 4.857 4.640 5.029 0.029 13 0 "[ . 1 . 2]" 1
113 1 5 ILE MD 1 16 PRO HA 4.000 . 5.000 4.495 4.285 4.714 . 0 0 "[ . 1 . 2]" 1
114 1 5 ILE MD 1 16 PRO HB2 3.000 . 3.300 2.215 2.053 2.420 . 0 0 "[ . 1 . 2]" 1
115 1 5 ILE MD 1 16 PRO HB3 4.000 . 5.000 3.209 2.754 3.722 . 0 0 "[ . 1 . 2]" 1
116 1 5 ILE MD 1 16 PRO HG2 4.000 . 5.000 2.694 2.520 2.938 . 0 0 "[ . 1 . 2]" 1
117 1 5 ILE MD 1 16 PRO HG3 4.000 . 5.000 2.870 2.354 3.326 . 0 0 "[ . 1 . 2]" 1
118 1 5 ILE MD 1 17 CYS H 4.000 . 5.000 4.175 3.828 4.510 . 0 0 "[ . 1 . 2]" 1
119 1 5 ILE MD 1 33 CYS H 4.000 . 5.000 4.056 3.931 4.318 . 0 0 "[ . 1 . 2]" 1
120 1 5 ILE MD 1 33 CYS HB2 3.000 . 3.300 2.420 2.211 3.012 . 0 0 "[ . 1 . 2]" 1
121 1 5 ILE MD 1 33 CYS HB3 4.000 . 5.000 2.667 2.235 3.111 . 0 0 "[ . 1 . 2]" 1
122 1 5 ILE HG12 1 6 PRO HD3 4.000 . 5.000 4.510 4.418 4.627 . 0 0 "[ . 1 . 2]" 1
123 1 5 ILE HG13 1 6 PRO HD3 4.000 . 5.000 5.244 5.192 5.290 0.290 12 0 "[ . 1 . 2]" 1
124 1 5 ILE MG 1 6 PRO HA 4.000 . 6.000 4.541 4.406 4.662 . 0 0 "[ . 1 . 2]" 1
125 1 5 ILE MG 1 6 PRO HD2 4.000 . 5.000 2.220 2.028 2.385 . 0 0 "[ . 1 . 2]" 1
126 1 5 ILE MG 1 6 PRO HD3 3.000 . 3.300 3.282 3.125 3.356 0.056 20 0 "[ . 1 . 2]" 1
127 1 5 ILE MG 1 7 CYS H 4.000 . 6.000 4.843 4.690 5.024 . 0 0 "[ . 1 . 2]" 1
128 1 5 ILE MG 1 16 PRO HA 4.000 . 5.000 5.000 4.619 5.115 0.115 14 0 "[ . 1 . 2]" 1
129 1 5 ILE MG 1 16 PRO HB2 3.000 . 3.300 3.032 2.819 3.180 . 0 0 "[ . 1 . 2]" 1
130 1 5 ILE MG 1 16 PRO HB3 4.000 . 5.000 3.112 2.589 3.352 . 0 0 "[ . 1 . 2]" 1
131 1 5 ILE MG 1 16 PRO HG2 3.000 . 3.300 3.297 2.920 3.403 0.103 19 0 "[ . 1 . 2]" 1
132 1 5 ILE MG 1 16 PRO HG3 4.000 . 5.000 2.357 2.150 2.603 . 0 0 "[ . 1 . 2]" 1
133 1 5 ILE MG 1 17 CYS H 4.000 . 6.000 5.332 4.953 5.512 . 0 0 "[ . 1 . 2]" 1
134 1 5 ILE MG 1 33 CYS H 4.000 . 5.000 4.046 3.827 4.207 . 0 0 "[ . 1 . 2]" 1
135 1 5 ILE MG 1 33 CYS HB2 4.000 . 5.000 3.346 3.131 3.616 . 0 0 "[ . 1 . 2]" 1
136 1 5 ILE MG 1 33 CYS HB3 4.000 . 5.000 4.334 3.766 4.509 . 0 0 "[ . 1 . 2]" 1
137 1 6 PRO HA 1 6 PRO HB2 2.500 . 2.700 2.752 2.733 2.767 0.067 20 0 "[ . 1 . 2]" 1
138 1 6 PRO HA 1 7 CYS H 2.500 . 2.700 2.180 2.164 2.209 . 0 0 "[ . 1 . 2]" 1
139 1 6 PRO HA 1 32 HIS H 4.000 . 5.000 4.916 4.415 5.087 0.087 1 0 "[ . 1 . 2]" 1
140 1 6 PRO HA 1 32 HIS HA 3.000 . 3.300 2.811 2.593 3.031 . 0 0 "[ . 1 . 2]" 1
141 1 6 PRO HB2 1 7 CYS H 4.000 . 5.000 3.900 3.845 3.963 . 0 0 "[ . 1 . 2]" 1
142 1 6 PRO HB2 1 32 HIS HD2 4.000 . 6.000 5.135 4.812 5.470 . 0 0 "[ . 1 . 2]" 1
143 1 6 PRO HB3 1 6 PRO HD3 3.000 . 3.300 3.358 3.336 3.396 0.096 17 0 "[ . 1 . 2]" 1
144 1 6 PRO HB3 1 7 CYS H 4.000 . 5.000 4.188 4.139 4.251 . 0 0 "[ . 1 . 2]" 1
145 1 6 PRO HB3 1 32 HIS HD2 4.000 . 6.000 3.757 3.417 4.033 . 0 0 "[ . 1 . 2]" 1
146 1 6 PRO HD2 1 6 PRO HG2 2.500 . 2.700 2.260 2.250 2.270 . 0 0 "[ . 1 . 2]" 1
147 1 6 PRO HD2 1 32 HIS HD2 4.000 . 5.000 4.966 4.761 5.072 0.072 14 0 "[ . 1 . 2]" 1
148 1 6 PRO HD3 1 6 PRO HG2 2.500 . 2.700 2.896 2.884 2.908 0.208 8 0 "[ . 1 . 2]" 1
149 1 6 PRO HD3 1 6 PRO HG3 2.500 . 2.700 2.264 2.255 2.276 . 0 0 "[ . 1 . 2]" 1
150 1 6 PRO HD3 1 32 HIS HD2 4.000 . 5.000 3.751 3.592 3.868 . 0 0 "[ . 1 . 2]" 1
151 1 6 PRO HG3 1 32 HIS HD2 4.000 . 6.000 4.759 4.533 4.964 . 0 0 "[ . 1 . 2]" 1
152 1 7 CYS H 1 7 CYS HB2 4.000 . 5.000 3.875 3.818 3.945 . 0 0 "[ . 1 . 2]" 1
153 1 7 CYS H 1 7 CYS HB3 4.000 . 5.000 3.183 2.644 3.364 . 0 0 "[ . 1 . 2]" 1
154 1 7 CYS H 1 8 ARG H 4.000 . 5.000 4.321 4.238 4.384 . 0 0 "[ . 1 . 2]" 1
155 1 7 CYS H 1 31 ARG HA 4.000 . 5.000 3.352 2.814 3.760 . 0 0 "[ . 1 . 2]" 1
156 1 7 CYS H 1 31 ARG HB2 4.000 . 5.000 3.666 3.018 4.269 . 0 0 "[ . 1 . 2]" 1
157 1 7 CYS H 1 32 HIS H 4.000 . 5.000 3.939 3.578 4.291 . 0 0 "[ . 1 . 2]" 1
158 1 7 CYS H 1 32 HIS HA 4.000 . 5.000 2.779 2.465 3.433 . 0 0 "[ . 1 . 2]" 1
159 1 7 CYS H 1 33 CYS H 4.000 . 5.000 4.573 4.389 4.750 . 0 0 "[ . 1 . 2]" 1
160 1 7 CYS HA 1 7 CYS HB2 2.500 . 2.700 2.450 2.245 2.548 . 0 0 "[ . 1 . 2]" 1
161 1 7 CYS HA 1 7 CYS HB3 2.500 . 2.700 2.483 2.386 2.767 0.067 13 0 "[ . 1 . 2]" 1
162 1 7 CYS HA 1 8 ARG H 2.500 . 2.700 2.657 2.527 2.730 0.030 19 0 "[ . 1 . 2]" 1
163 1 7 CYS HA 1 8 ARG HB3 4.000 . 5.000 4.292 3.938 5.076 0.076 16 0 "[ . 1 . 2]" 1
164 1 7 CYS HA 1 8 ARG QG 4.000 . 5.000 5.003 4.700 5.235 0.235 5 0 "[ . 1 . 2]" 1
165 1 7 CYS HA 1 9 GLY H 4.000 . 5.000 4.452 4.124 4.634 . 0 0 "[ . 1 . 2]" 1
166 1 7 CYS HB2 1 9 GLY H 3.000 . 3.300 2.969 2.414 3.395 0.095 13 0 "[ . 1 . 2]" 1
167 1 7 CYS HB2 1 12 ASP H 4.000 . 5.000 5.128 4.763 5.233 0.233 16 0 "[ . 1 . 2]" 1
168 1 7 CYS HB3 1 8 ARG H 3.000 . 3.300 3.376 3.315 3.480 0.180 7 0 "[ . 1 . 2]" 1
169 1 7 CYS HB3 1 9 GLY H 4.000 . 5.000 4.624 4.180 4.943 . 0 0 "[ . 1 . 2]" 1
170 1 8 ARG H 1 8 ARG HB2 4.000 . 5.000 3.568 2.642 3.927 . 0 0 "[ . 1 . 2]" 1
171 1 8 ARG H 1 8 ARG HB3 3.000 . 3.300 2.831 2.550 3.178 . 0 0 "[ . 1 . 2]" 1
172 1 8 ARG H 1 8 ARG QG 4.000 . 5.000 3.170 2.582 4.172 . 0 0 "[ . 1 . 2]" 1
173 1 8 ARG H 1 9 GLY H 2.500 . 2.700 1.866 1.689 2.029 0.111 7 0 "[ . 1 . 2]" 1
174 1 8 ARG H 1 9 GLY HA3 4.000 . 5.000 4.424 4.279 4.564 . 0 0 "[ . 1 . 2]" 1
175 1 8 ARG H 1 12 ASP HB2 4.000 . 5.000 4.791 3.981 5.111 0.111 16 0 "[ . 1 . 2]" 1
176 1 8 ARG H 1 12 ASP HB3 4.000 . 5.000 3.584 2.704 4.113 . 0 0 "[ . 1 . 2]" 1
177 1 8 ARG HA 1 8 ARG HB2 2.500 . 2.700 2.398 2.270 2.739 0.039 16 0 "[ . 1 . 2]" 1
178 1 8 ARG HA 1 8 ARG QG 3.000 . 3.300 2.966 2.020 3.363 0.063 13 0 "[ . 1 . 2]" 1
179 1 8 ARG HB2 1 8 ARG HE 4.000 . 5.000 3.697 2.109 4.879 . 0 0 "[ . 1 . 2]" 1
180 1 8 ARG HB2 1 9 GLY H 4.000 . 5.000 3.910 3.423 4.197 . 0 0 "[ . 1 . 2]" 1
181 1 8 ARG HB3 1 8 ARG HE 4.000 . 5.000 3.704 1.969 5.045 0.045 2 0 "[ . 1 . 2]" 1
182 1 8 ARG HB3 1 9 GLY H 3.000 . 3.300 3.290 2.806 3.465 0.165 15 0 "[ . 1 . 2]" 1
183 1 8 ARG QD 1 8 ARG HE 2.500 . 2.700 2.389 2.213 2.538 . 0 0 "[ . 1 . 2]" 1
184 1 8 ARG HE 1 9 GLY H 4.000 . 6.000 4.727 2.592 6.002 0.002 10 0 "[ . 1 . 2]" 1
185 1 8 ARG QG 1 9 GLY H 4.000 . 5.000 2.603 1.741 4.617 0.059 3 0 "[ . 1 . 2]" 1
186 1 9 GLY H 1 9 GLY HA3 2.500 . 2.700 2.597 2.492 2.747 0.047 19 0 "[ . 1 . 2]" 1
187 1 9 GLY H 1 10 THR H 4.000 . 5.000 4.427 4.321 4.490 . 0 0 "[ . 1 . 2]" 1
188 1 9 GLY H 1 10 THR HA 4.000 . 6.000 5.075 4.790 5.240 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLY H 1 12 ASP H 4.000 . 5.000 5.004 4.665 5.116 0.116 9 0 "[ . 1 . 2]" 1
190 1 9 GLY H 1 12 ASP HB2 4.000 . 5.000 3.773 3.126 4.087 . 0 0 "[ . 1 . 2]" 1
191 1 9 GLY H 1 12 ASP HB3 4.000 . 5.000 3.155 2.389 3.649 . 0 0 "[ . 1 . 2]" 1
192 1 9 GLY H 1 28 CYS HB2 4.000 . 5.000 3.969 3.282 4.764 . 0 0 "[ . 1 . 2]" 1
193 1 9 GLY H 1 28 CYS HB3 4.000 . 6.000 3.978 3.447 4.485 . 0 0 "[ . 1 . 2]" 1
194 1 9 GLY HA2 1 10 THR H 3.000 . 3.300 2.284 2.179 2.427 . 0 0 "[ . 1 . 2]" 1
195 1 9 GLY HA2 1 28 CYS HB2 4.000 . 5.000 3.460 3.092 3.768 . 0 0 "[ . 1 . 2]" 1
196 1 9 GLY HA3 1 10 THR H 3.000 . 3.300 2.935 2.796 3.141 . 0 0 "[ . 1 . 2]" 1
197 1 9 GLY HA3 1 10 THR HA 4.000 . 5.000 4.825 4.778 4.879 . 0 0 "[ . 1 . 2]" 1
198 1 9 GLY HA3 1 12 ASP H 4.000 . 5.000 4.980 4.633 5.104 0.104 13 0 "[ . 1 . 2]" 1
199 1 9 GLY HA3 1 28 CYS HB3 4.000 . 6.000 4.099 3.642 4.883 . 0 0 "[ . 1 . 2]" 1
200 1 10 THR H 1 10 THR HB 2.500 . 2.700 2.340 2.085 2.491 . 0 0 "[ . 1 . 2]" 1
201 1 10 THR H 1 10 THR MG 4.000 . 5.000 3.716 3.526 3.758 . 0 0 "[ . 1 . 2]" 1
202 1 10 THR H 1 11 SER H 4.000 . 5.000 2.790 2.680 2.907 . 0 0 "[ . 1 . 2]" 1
203 1 10 THR H 1 12 ASP H 4.000 . 5.000 4.720 4.585 4.803 . 0 0 "[ . 1 . 2]" 1
204 1 10 THR H 1 28 CYS H 4.000 . 5.000 3.205 2.946 3.691 . 0 0 "[ . 1 . 2]" 1
205 1 10 THR H 1 28 CYS HA 4.000 . 5.000 5.124 5.053 5.220 0.220 13 0 "[ . 1 . 2]" 1
206 1 10 THR H 1 28 CYS HB2 3.000 . 3.300 2.989 2.186 3.348 0.048 3 0 "[ . 1 . 2]" 1
207 1 10 THR H 1 28 CYS HB3 4.000 . 5.000 2.839 2.514 3.508 . 0 0 "[ . 1 . 2]" 1
208 1 10 THR HA 1 10 THR MG 3.000 . 3.300 2.523 2.354 2.774 . 0 0 "[ . 1 . 2]" 1
209 1 10 THR HA 1 11 SER H 4.000 . 5.000 3.551 3.517 3.581 . 0 0 "[ . 1 . 2]" 1
210 1 10 THR HA 1 12 ASP H 4.000 . 5.000 3.446 3.290 3.608 . 0 0 "[ . 1 . 2]" 1
211 1 10 THR HA 1 14 TYR H 4.000 . 5.000 3.797 3.512 4.148 . 0 0 "[ . 1 . 2]" 1
212 1 10 THR HA 1 14 TYR QD 4.000 . 5.000 4.482 4.283 4.699 . 0 0 "[ . 1 . 2]" 1
213 1 10 THR HA 1 27 LYS HA 4.000 . 5.000 3.456 3.043 4.039 . 0 0 "[ . 1 . 2]" 1
214 1 10 THR HA 1 28 CYS H 3.000 . 3.300 2.387 2.146 2.789 . 0 0 "[ . 1 . 2]" 1
215 1 10 THR HA 1 28 CYS HB2 3.000 . 3.300 2.172 2.019 2.410 . 0 0 "[ . 1 . 2]" 1
216 1 10 THR HA 1 28 CYS HB3 3.000 . 3.300 3.253 2.973 3.584 0.284 17 0 "[ . 1 . 2]" 1
217 1 10 THR HB 1 11 SER H 4.000 . 5.000 2.412 2.285 2.761 . 0 0 "[ . 1 . 2]" 1
218 1 10 THR HB 1 28 CYS H 4.000 . 5.000 3.443 2.937 3.744 . 0 0 "[ . 1 . 2]" 1
219 1 10 THR MG 1 11 SER H 4.000 . 5.000 2.946 2.458 3.246 . 0 0 "[ . 1 . 2]" 1
220 1 10 THR MG 1 11 SER HA 4.000 . 5.000 3.076 2.808 3.302 . 0 0 "[ . 1 . 2]" 1
221 1 10 THR MG 1 11 SER HB3 4.000 . 6.000 4.845 4.465 5.223 . 0 0 "[ . 1 . 2]" 1
222 1 10 THR MG 1 12 ASP H 4.000 . 6.000 3.746 3.590 3.899 . 0 0 "[ . 1 . 2]" 1
223 1 10 THR MG 1 14 TYR H 4.000 . 5.000 3.820 3.589 4.201 . 0 0 "[ . 1 . 2]" 1
224 1 10 THR MG 1 14 TYR HB2 4.000 . 5.000 3.297 2.936 3.814 . 0 0 "[ . 1 . 2]" 1
225 1 10 THR MG 1 14 TYR HB3 4.000 . 5.000 2.350 2.109 2.756 . 0 0 "[ . 1 . 2]" 1
226 1 10 THR MG 1 14 TYR QD 3.000 . 3.300 3.374 2.510 3.497 0.197 1 0 "[ . 1 . 2]" 1
227 1 10 THR MG 1 14 TYR QE 4.000 . 5.000 4.605 4.004 4.785 . 0 0 "[ . 1 . 2]" 1
228 1 10 THR MG 1 26 ALA H 4.000 . 5.000 3.482 2.314 3.931 . 0 0 "[ . 1 . 2]" 1
229 1 10 THR MG 1 27 LYS H 4.000 . 5.000 3.876 3.486 4.443 . 0 0 "[ . 1 . 2]" 1
230 1 10 THR MG 1 27 LYS HA 4.000 . 5.000 2.348 1.972 3.030 . 0 0 "[ . 1 . 2]" 1
231 1 10 THR MG 1 28 CYS H 4.000 . 5.000 3.211 2.906 3.691 . 0 0 "[ . 1 . 2]" 1
232 1 11 SER H 1 11 SER HB2 2.500 . 2.700 2.356 2.058 2.767 0.067 4 0 "[ . 1 . 2]" 1
233 1 11 SER H 1 11 SER HB3 3.000 . 3.300 2.922 2.415 3.486 0.186 18 0 "[ . 1 . 2]" 1
234 1 11 SER H 1 12 ASP H 4.000 . 5.000 3.355 3.298 3.409 . 0 0 "[ . 1 . 2]" 1
235 1 11 SER H 1 13 CYS H 4.000 . 5.000 4.543 4.283 4.932 . 0 0 "[ . 1 . 2]" 1
236 1 11 SER H 1 14 TYR H 4.000 . 5.000 5.106 5.021 5.201 0.201 18 0 "[ . 1 . 2]" 1
237 1 11 SER H 1 14 TYR QD 4.000 . 6.000 4.363 4.093 4.549 . 0 0 "[ . 1 . 2]" 1
238 1 11 SER HA 1 12 ASP H 4.000 . 5.000 2.861 2.699 2.991 . 0 0 "[ . 1 . 2]" 1
239 1 11 SER HA 1 14 TYR H 4.000 . 5.000 4.073 3.920 4.170 . 0 0 "[ . 1 . 2]" 1
240 1 11 SER HA 1 14 TYR QD 4.000 . 5.000 2.400 2.165 2.769 . 0 0 "[ . 1 . 2]" 1
241 1 11 SER HB2 1 14 TYR QD 4.000 . 5.000 4.895 4.668 5.103 0.103 4 0 "[ . 1 . 2]" 1
242 1 11 SER HB2 1 14 TYR QE 4.000 . 5.000 4.708 4.391 4.953 . 0 0 "[ . 1 . 2]" 1
243 1 11 SER HB3 1 12 ASP H 4.000 . 5.000 4.268 4.163 4.574 . 0 0 "[ . 1 . 2]" 1
244 1 11 SER HB3 1 14 TYR QD 4.000 . 5.000 4.879 4.397 5.082 0.082 20 0 "[ . 1 . 2]" 1
245 1 11 SER HB3 1 14 TYR QE 4.000 . 5.000 4.445 3.350 5.031 0.031 20 0 "[ . 1 . 2]" 1
246 1 12 ASP H 1 12 ASP HB2 3.000 . 3.300 3.154 3.059 3.227 . 0 0 "[ . 1 . 2]" 1
247 1 12 ASP H 1 12 ASP HB3 3.000 . 3.300 3.244 3.116 3.397 0.097 15 0 "[ . 1 . 2]" 1
248 1 12 ASP H 1 14 TYR H 3.000 . 3.300 2.227 2.168 2.308 . 0 0 "[ . 1 . 2]" 1
249 1 12 ASP H 1 14 TYR HA 4.000 . 5.000 5.050 4.992 5.083 0.083 15 0 "[ . 1 . 2]" 1
250 1 12 ASP H 1 14 TYR HB2 4.000 . 5.000 5.117 5.035 5.243 0.243 15 0 "[ . 1 . 2]" 1
251 1 12 ASP H 1 14 TYR HB3 4.000 . 5.000 3.523 3.442 3.696 . 0 0 "[ . 1 . 2]" 1
252 1 12 ASP H 1 15 GLU H 4.000 . 5.000 4.273 4.010 4.462 . 0 0 "[ . 1 . 2]" 1
253 1 12 ASP HA 1 12 ASP HB2 3.000 . 3.300 2.685 2.625 2.768 . 0 0 "[ . 1 . 2]" 1
254 1 12 ASP HA 1 12 ASP HB3 3.000 . 3.300 2.997 2.955 3.019 . 0 0 "[ . 1 . 2]" 1
255 1 12 ASP HA 1 14 TYR H 4.000 . 5.000 3.942 3.855 4.072 . 0 0 "[ . 1 . 2]" 1
256 1 12 ASP HA 1 15 GLU H 4.000 . 5.000 4.269 3.930 4.610 . 0 0 "[ . 1 . 2]" 1
257 1 12 ASP HA 1 16 PRO QD 4.000 . 5.000 4.892 4.541 5.111 0.111 7 0 "[ . 1 . 2]" 1
258 1 12 ASP HB2 1 14 TYR H 4.000 . 5.000 5.068 5.008 5.111 0.111 20 0 "[ . 1 . 2]" 1
259 1 12 ASP HB3 1 14 TYR H 4.000 . 5.000 4.582 4.435 4.787 . 0 0 "[ . 1 . 2]" 1
260 1 13 CYS H 1 13 CYS HB2 4.000 . 5.000 2.643 2.153 3.547 . 0 0 "[ . 1 . 2]" 1
261 1 13 CYS H 1 13 CYS HB3 4.000 . 5.000 2.598 2.097 3.194 . 0 0 "[ . 1 . 2]" 1
262 1 13 CYS HB3 1 26 ALA MB 4.000 . 5.000 4.184 3.295 5.040 0.040 7 0 "[ . 1 . 2]" 1
263 1 14 TYR H 1 14 TYR HB2 3.000 . 3.300 3.529 3.504 3.583 0.283 7 0 "[ . 1 . 2]" 1
264 1 14 TYR H 1 14 TYR QD 3.000 . 3.300 2.066 1.798 3.240 0.002 4 0 "[ . 1 . 2]" 1
265 1 14 TYR H 1 14 TYR QE 4.000 . 6.000 4.306 4.063 4.801 . 0 0 "[ . 1 . 2]" 1
266 1 14 TYR H 1 15 GLU H 4.000 . 5.000 2.584 2.436 2.804 . 0 0 "[ . 1 . 2]" 1
267 1 14 TYR H 1 16 PRO QD 4.000 . 6.000 3.365 3.229 3.544 . 0 0 "[ . 1 . 2]" 1
268 1 14 TYR H 1 26 ALA MB 4.000 . 5.000 3.768 3.488 4.012 . 0 0 "[ . 1 . 2]" 1
269 1 14 TYR HA 1 14 TYR HB2 2.500 . 2.700 2.311 2.277 2.354 . 0 0 "[ . 1 . 2]" 1
270 1 14 TYR HA 1 14 TYR QD 4.000 . 5.000 3.671 3.524 3.710 . 0 0 "[ . 1 . 2]" 1
271 1 14 TYR HA 1 15 GLU H 3.000 . 3.300 3.278 3.219 3.328 0.028 10 0 "[ . 1 . 2]" 1
272 1 14 TYR HA 1 16 PRO QD 3.000 . 3.300 3.289 3.215 3.361 0.061 20 0 "[ . 1 . 2]" 1
273 1 14 TYR HA 1 16 PRO HG2 3.000 . 3.300 3.492 3.455 3.542 0.242 10 0 "[ . 1 . 2]" 1
274 1 14 TYR HA 1 16 PRO HG3 4.000 . 5.000 4.860 4.785 4.918 . 0 0 "[ . 1 . 2]" 1
275 1 14 TYR HA 1 17 CYS HB3 4.000 . 5.000 3.864 3.008 4.623 . 0 0 "[ . 1 . 2]" 1
276 1 14 TYR HA 1 26 ALA MB 4.000 . 5.000 2.007 1.881 2.158 . 0 0 "[ . 1 . 2]" 1
277 1 14 TYR HB2 1 16 PRO QD 4.000 . 5.000 5.020 4.970 5.093 0.093 20 0 "[ . 1 . 2]" 1
278 1 14 TYR HB2 1 26 ALA H 3.000 . 3.300 1.875 1.746 2.087 0.054 16 0 "[ . 1 . 2]" 1
279 1 14 TYR HB2 1 26 ALA MB 2.500 . 2.700 2.067 1.948 2.147 . 0 0 "[ . 1 . 2]" 1
280 1 14 TYR HB2 1 27 LYS H 4.000 . 5.000 4.862 4.480 5.075 0.075 15 0 "[ . 1 . 2]" 1
281 1 14 TYR HB3 1 16 PRO QD 4.000 . 5.000 4.854 4.759 4.948 . 0 0 "[ . 1 . 2]" 1
282 1 14 TYR HB3 1 17 CYS H 4.000 . 6.000 5.568 5.432 5.713 . 0 0 "[ . 1 . 2]" 1
283 1 14 TYR HB3 1 26 ALA H 4.000 . 5.000 3.168 2.575 3.443 . 0 0 "[ . 1 . 2]" 1
284 1 14 TYR HB3 1 26 ALA MB 2.500 . 2.700 2.522 2.154 2.729 0.029 17 0 "[ . 1 . 2]" 1
285 1 14 TYR HB3 1 27 LYS H 4.000 . 5.000 4.884 4.602 5.131 0.131 18 0 "[ . 1 . 2]" 1
286 1 14 TYR QD 1 15 GLU H 4.000 . 5.000 3.327 2.935 3.622 . 0 0 "[ . 1 . 2]" 1
287 1 14 TYR QD 1 24 ALA HA 4.000 . 5.000 2.863 2.415 3.364 . 0 0 "[ . 1 . 2]" 1
288 1 14 TYR QD 1 24 ALA MB 2.500 . 2.700 2.203 1.890 2.509 . 0 0 "[ . 1 . 2]" 1
289 1 14 TYR QD 1 25 ARG HA 4.000 . 5.000 3.818 3.131 4.238 . 0 0 "[ . 1 . 2]" 1
290 1 14 TYR QD 1 26 ALA H 4.000 . 5.000 2.829 2.552 3.669 . 0 0 "[ . 1 . 2]" 1
291 1 14 TYR QD 1 26 ALA MB 4.000 . 5.000 3.592 3.450 3.835 . 0 0 "[ . 1 . 2]" 1
292 1 14 TYR QE 1 15 GLU H 4.000 . 5.000 4.596 4.371 4.799 . 0 0 "[ . 1 . 2]" 1
293 1 14 TYR QE 1 24 ALA HA 4.000 . 5.000 4.490 3.923 4.888 . 0 0 "[ . 1 . 2]" 1
294 1 14 TYR QE 1 24 ALA MB 2.500 . 2.700 2.528 2.034 2.795 0.095 20 0 "[ . 1 . 2]" 1
295 1 14 TYR QE 1 25 ARG HA 4.000 . 5.000 4.998 4.491 5.088 0.088 8 0 "[ . 1 . 2]" 1
296 1 15 GLU H 1 15 GLU HA 2.500 . 2.700 2.876 2.866 2.888 0.188 5 0 "[ . 1 . 2]" 1
297 1 15 GLU H 1 15 GLU HB2 2.500 . 2.700 2.176 2.079 2.264 . 0 0 "[ . 1 . 2]" 1
298 1 15 GLU H 1 15 GLU HG2 4.000 . 5.000 3.715 2.617 4.408 . 0 0 "[ . 1 . 2]" 1
299 1 15 GLU H 1 15 GLU HG3 4.000 . 5.000 3.493 2.964 4.212 . 0 0 "[ . 1 . 2]" 1
300 1 15 GLU H 1 17 CYS H 4.000 . 5.000 3.747 3.568 3.854 . 0 0 "[ . 1 . 2]" 1
301 1 15 GLU H 1 26 ALA MB 4.000 . 5.000 4.688 4.543 4.846 . 0 0 "[ . 1 . 2]" 1
302 1 15 GLU HA 1 15 GLU HG2 4.000 . 5.000 2.582 2.059 3.575 . 0 0 "[ . 1 . 2]" 1
303 1 15 GLU HA 1 15 GLU HG3 4.000 . 5.000 2.943 2.065 3.647 . 0 0 "[ . 1 . 2]" 1
304 1 15 GLU HA 1 16 PRO QD 4.000 . 5.000 3.429 3.408 3.450 . 0 0 "[ . 1 . 2]" 1
305 1 15 GLU HA 1 17 CYS H 4.000 . 5.000 3.933 3.771 4.141 . 0 0 "[ . 1 . 2]" 1
306 1 15 GLU HA 1 18 GLU H 3.000 . 3.300 3.268 3.108 3.398 0.098 17 0 "[ . 1 . 2]" 1
307 1 15 GLU HA 1 19 LYS H 4.000 . 5.000 4.040 3.845 4.368 . 0 0 "[ . 1 . 2]" 1
308 1 15 GLU HB2 1 17 CYS H 4.000 . 5.000 4.910 4.710 5.038 0.038 8 0 "[ . 1 . 2]" 1
309 1 15 GLU HB3 1 17 CYS H 4.000 . 5.000 5.066 5.005 5.112 0.112 17 0 "[ . 1 . 2]" 1
310 1 15 GLU HG2 1 16 PRO QD 4.000 . 5.000 4.344 3.710 4.640 . 0 0 "[ . 1 . 2]" 1
311 1 16 PRO HA 1 16 PRO HB2 2.500 . 2.700 2.754 2.741 2.767 0.067 20 0 "[ . 1 . 2]" 1
312 1 16 PRO HA 1 16 PRO HB3 2.500 . 2.700 2.310 2.298 2.323 . 0 0 "[ . 1 . 2]" 1
313 1 16 PRO HA 1 17 CYS H 4.000 . 5.000 3.519 3.494 3.553 . 0 0 "[ . 1 . 2]" 1
314 1 16 PRO HA 1 19 LYS H 4.000 . 5.000 3.784 3.494 4.141 . 0 0 "[ . 1 . 2]" 1
315 1 16 PRO HA 1 19 LYS QD 4.000 . 5.000 4.022 3.199 4.974 . 0 0 "[ . 1 . 2]" 1
316 1 16 PRO HA 1 20 LYS H 4.000 . 5.000 3.596 3.370 3.825 . 0 0 "[ . 1 . 2]" 1
317 1 16 PRO HB3 1 16 PRO QD 3.000 . 3.300 2.743 2.697 2.800 . 0 0 "[ . 1 . 2]" 1
318 1 16 PRO HB3 1 17 CYS H 4.000 . 5.000 4.228 4.181 4.282 . 0 0 "[ . 1 . 2]" 1
319 1 16 PRO QD 1 16 PRO HG2 2.500 . 2.700 2.285 2.263 2.307 . 0 0 "[ . 1 . 2]" 1
320 1 16 PRO QD 1 16 PRO HG3 2.500 . 2.700 2.211 2.201 2.219 . 0 0 "[ . 1 . 2]" 1
321 1 16 PRO QD 1 17 CYS H 3.000 . 3.300 2.904 2.818 3.014 . 0 0 "[ . 1 . 2]" 1
322 1 16 PRO HG2 1 17 CYS H 3.000 . 3.300 2.465 2.362 2.571 . 0 0 "[ . 1 . 2]" 1
323 1 16 PRO HG2 1 26 ALA MB 4.000 . 5.000 4.362 4.088 4.531 . 0 0 "[ . 1 . 2]" 1
324 1 17 CYS H 1 17 CYS HB2 3.000 . 3.300 2.356 2.125 2.572 . 0 0 "[ . 1 . 2]" 1
325 1 17 CYS H 1 18 GLU H 2.500 . 2.700 2.438 2.338 2.560 . 0 0 "[ . 1 . 2]" 1
326 1 17 CYS H 1 20 LYS H 4.000 . 5.000 4.327 4.217 4.553 . 0 0 "[ . 1 . 2]" 1
327 1 17 CYS HA 1 17 CYS HB2 2.500 . 2.700 2.811 2.576 2.993 0.293 9 0 "[ . 1 . 2]" 1
328 1 17 CYS HA 1 21 TYR H 4.000 . 5.000 2.641 2.257 2.951 . 0 0 "[ . 1 . 2]" 1
329 1 17 CYS HA 1 21 TYR HB3 4.000 . 5.000 4.953 4.037 5.180 0.180 12 0 "[ . 1 . 2]" 1
330 1 17 CYS HB2 1 21 TYR QE 4.000 . 5.000 4.809 3.649 5.189 0.189 8 0 "[ . 1 . 2]" 1
331 1 17 CYS HB2 1 24 ALA HA 4.000 . 5.000 3.534 2.654 3.955 . 0 0 "[ . 1 . 2]" 1
332 1 17 CYS HB2 1 24 ALA MB 4.000 . 5.000 4.945 4.268 5.184 0.184 16 0 "[ . 1 . 2]" 1
333 1 17 CYS HB2 1 26 ALA MB 4.000 . 5.000 2.294 2.012 2.656 . 0 0 "[ . 1 . 2]" 1
334 1 17 CYS HB3 1 18 GLU H 4.000 . 5.000 3.246 2.650 3.959 . 0 0 "[ . 1 . 2]" 1
335 1 17 CYS HB3 1 24 ALA MB 4.000 . 5.000 4.397 3.757 5.088 0.088 8 0 "[ . 1 . 2]" 1
336 1 18 GLU H 1 18 GLU HB2 2.500 . 2.700 2.809 2.484 3.029 0.329 5 0 "[ . 1 . 2]" 1
337 1 18 GLU H 1 18 GLU HG3 2.500 . 2.700 1.827 1.681 2.179 0.119 4 0 "[ . 1 . 2]" 1
338 1 18 GLU H 1 20 LYS H 3.000 . 3.300 3.568 3.496 3.616 0.316 7 0 "[ . 1 . 2]" 1
339 1 18 GLU H 1 22 ASN H 4.000 . 5.000 4.911 4.530 5.110 0.110 12 0 "[ . 1 . 2]" 1
340 1 18 GLU H 1 23 CYS H 4.000 . 5.000 4.402 3.963 4.661 . 0 0 "[ . 1 . 2]" 1
341 1 18 GLU H 1 24 ALA MB 4.000 . 5.000 4.081 3.709 4.455 . 0 0 "[ . 1 . 2]" 1
342 1 18 GLU HA 1 18 GLU HB2 2.500 . 2.700 2.916 2.847 2.971 0.271 9 0 "[ . 1 . 2]" 1
343 1 18 GLU HA 1 18 GLU HB3 2.500 . 2.700 2.316 2.251 2.437 . 0 0 "[ . 1 . 2]" 1
344 1 18 GLU HA 1 18 GLU HG2 3.000 . 3.300 2.743 2.439 3.017 . 0 0 "[ . 1 . 2]" 1
345 1 18 GLU HA 1 18 GLU HG3 3.000 . 3.300 3.373 3.088 3.547 0.247 5 0 "[ . 1 . 2]" 1
346 1 18 GLU HA 1 19 LYS H 3.000 . 3.300 3.464 3.440 3.489 0.189 14 0 "[ . 1 . 2]" 1
347 1 18 GLU HA 1 21 TYR H 4.000 . 5.000 4.598 4.435 4.723 . 0 0 "[ . 1 . 2]" 1
348 1 18 GLU HA 1 22 ASN H 4.000 . 5.000 3.397 3.010 3.671 . 0 0 "[ . 1 . 2]" 1
349 1 18 GLU HA 1 22 ASN HA 4.000 . 5.000 3.069 2.303 3.729 . 0 0 "[ . 1 . 2]" 1
350 1 18 GLU HA 1 23 CYS H 2.500 . 2.700 2.168 1.819 2.321 . 0 0 "[ . 1 . 2]" 1
351 1 18 GLU HA 1 24 ALA H 4.000 . 6.000 2.826 1.942 3.880 . 0 0 "[ . 1 . 2]" 1
352 1 18 GLU HB2 1 19 LYS H 2.500 . 2.700 2.099 1.804 2.360 . 0 0 "[ . 1 . 2]" 1
353 1 18 GLU HB2 1 22 ASN HA 4.000 . 5.000 4.795 4.226 5.042 0.042 20 0 "[ . 1 . 2]" 1
354 1 18 GLU HB2 1 23 CYS H 4.000 . 5.000 5.023 4.710 5.197 0.197 11 0 "[ . 1 . 2]" 1
355 1 18 GLU HB2 1 24 ALA H 4.000 . 5.000 5.052 4.609 5.294 0.294 15 0 "[ . 1 . 2]" 1
356 1 18 GLU HB2 1 24 ALA MB 4.000 . 5.000 3.996 3.584 4.392 . 0 0 "[ . 1 . 2]" 1
357 1 18 GLU HB3 1 23 CYS H 4.000 . 6.000 4.332 4.087 4.451 . 0 0 "[ . 1 . 2]" 1
358 1 18 GLU HB3 1 24 ALA H 4.000 . 6.000 4.076 3.439 4.747 . 0 0 "[ . 1 . 2]" 1
359 1 18 GLU HB3 1 24 ALA MB 4.000 . 5.000 2.977 2.239 3.787 . 0 0 "[ . 1 . 2]" 1
360 1 18 GLU HG2 1 26 ALA MB 4.000 . 5.000 4.886 4.224 5.153 0.153 15 0 "[ . 1 . 2]" 1
361 1 19 LYS H 1 19 LYS QB 2.500 . 2.700 2.359 2.214 2.486 . 0 0 "[ . 1 . 2]" 1
362 1 19 LYS H 1 19 LYS QD 4.000 . 5.000 3.800 3.069 4.298 . 0 0 "[ . 1 . 2]" 1
363 1 19 LYS H 1 19 LYS HG2 4.000 . 5.000 3.551 3.154 3.958 . 0 0 "[ . 1 . 2]" 1
364 1 19 LYS H 1 19 LYS HG3 3.000 . 3.300 2.331 2.055 2.764 . 0 0 "[ . 1 . 2]" 1
365 1 19 LYS H 1 20 LYS H 3.000 . 3.300 2.609 2.483 2.705 . 0 0 "[ . 1 . 2]" 1
366 1 19 LYS HA 1 19 LYS QB 2.500 . 2.700 2.399 2.174 2.483 . 0 0 "[ . 1 . 2]" 1
367 1 19 LYS HA 1 19 LYS QD 4.000 . 5.000 3.964 3.543 4.126 . 0 0 "[ . 1 . 2]" 1
368 1 19 LYS HA 1 19 LYS HG2 4.000 . 5.000 2.532 2.362 4.237 . 0 0 "[ . 1 . 2]" 1
369 1 19 LYS HA 1 19 LYS HG3 4.000 . 5.000 2.901 2.534 3.599 . 0 0 "[ . 1 . 2]" 1
370 1 19 LYS HA 1 20 LYS H 4.000 . 5.000 3.528 3.473 3.572 . 0 0 "[ . 1 . 2]" 1
371 1 19 LYS HA 1 22 ASN H 4.000 . 5.000 4.180 3.962 4.429 . 0 0 "[ . 1 . 2]" 1
372 1 19 LYS QB 1 19 LYS QE 4.000 . 5.000 3.251 2.133 3.671 . 0 0 "[ . 1 . 2]" 1
373 1 19 LYS QB 1 20 LYS H 3.000 . 3.300 2.907 2.714 3.508 0.208 12 0 "[ . 1 . 2]" 1
374 1 20 LYS H 1 20 LYS HD2 4.000 . 5.000 4.869 3.518 5.062 0.062 13 0 "[ . 1 . 2]" 1
375 1 20 LYS H 1 20 LYS HD3 4.000 . 5.000 4.698 3.607 5.091 0.091 18 0 "[ . 1 . 2]" 1
376 1 20 LYS H 1 20 LYS HG2 4.000 . 5.000 4.225 2.437 4.818 . 0 0 "[ . 1 . 2]" 1
377 1 20 LYS H 1 20 LYS HG3 4.000 . 5.000 4.178 2.576 4.772 . 0 0 "[ . 1 . 2]" 1
378 1 20 LYS H 1 21 TYR H 3.000 . 3.300 2.847 2.570 2.922 . 0 0 "[ . 1 . 2]" 1
379 1 20 LYS H 1 22 ASN H 4.000 . 5.000 3.218 3.033 3.343 . 0 0 "[ . 1 . 2]" 1
380 1 20 LYS HA 1 20 LYS HD3 4.000 . 5.000 3.443 2.058 4.632 . 0 0 "[ . 1 . 2]" 1
381 1 20 LYS HA 1 20 LYS HG2 4.000 . 5.000 3.050 2.311 3.701 . 0 0 "[ . 1 . 2]" 1
382 1 20 LYS HA 1 20 LYS HG3 4.000 . 5.000 2.881 2.042 3.693 . 0 0 "[ . 1 . 2]" 1
383 1 20 LYS HA 1 21 TYR H 4.000 . 5.000 3.585 3.544 3.624 . 0 0 "[ . 1 . 2]" 1
384 1 20 LYS HA 1 22 ASN H 4.000 . 5.000 3.999 3.845 4.268 . 0 0 "[ . 1 . 2]" 1
385 1 20 LYS HB2 1 20 LYS HE2 4.000 . 5.000 4.134 2.193 4.933 . 0 0 "[ . 1 . 2]" 1
386 1 20 LYS HB2 1 20 LYS HE3 4.000 . 6.000 4.183 2.156 5.509 . 0 0 "[ . 1 . 2]" 1
387 1 20 LYS HB2 1 21 TYR H 4.000 . 5.000 2.976 2.031 3.565 . 0 0 "[ . 1 . 2]" 1
388 1 20 LYS HB2 1 21 TYR QD 4.000 . 5.000 3.891 2.367 4.751 . 0 0 "[ . 1 . 2]" 1
389 1 20 LYS HB3 1 20 LYS HE2 4.000 . 6.000 4.239 2.284 5.167 . 0 0 "[ . 1 . 2]" 1
390 1 20 LYS HB3 1 21 TYR H 4.000 . 5.000 2.240 1.824 3.093 . 0 0 "[ . 1 . 2]" 1
391 1 20 LYS HB3 1 21 TYR QD 3.000 . 3.300 2.758 2.100 3.375 0.075 5 0 "[ . 1 . 2]" 1
392 1 20 LYS HB3 1 21 TYR QE 3.000 . 3.300 3.112 2.321 3.489 0.189 7 0 "[ . 1 . 2]" 1
393 1 20 LYS HD2 1 20 LYS HE3 2.500 . 2.700 2.506 2.267 2.785 0.085 6 0 "[ . 1 . 2]" 1
394 1 20 LYS HE2 1 20 LYS HG2 4.000 . 5.000 2.944 2.398 3.821 . 0 0 "[ . 1 . 2]" 1
395 1 20 LYS HE2 1 20 LYS HG3 4.000 . 5.000 2.982 2.324 3.786 . 0 0 "[ . 1 . 2]" 1
396 1 20 LYS HE3 1 20 LYS HG2 4.000 . 5.000 3.240 2.294 4.069 . 0 0 "[ . 1 . 2]" 1
397 1 20 LYS HE3 1 20 LYS HG3 4.000 . 5.000 3.086 2.359 4.227 . 0 0 "[ . 1 . 2]" 1
398 1 20 LYS HE3 1 21 TYR QE 4.000 . 5.000 4.208 2.652 5.083 0.083 19 0 "[ . 1 . 2]" 1
399 1 20 LYS HG2 1 21 TYR H 4.000 . 6.000 4.055 2.954 4.754 . 0 0 "[ . 1 . 2]" 1
400 1 20 LYS HG2 1 21 TYR QD 4.000 . 5.000 4.178 2.961 5.116 0.116 13 0 "[ . 1 . 2]" 1
401 1 20 LYS HG3 1 21 TYR H 4.000 . 6.000 4.056 2.883 4.896 . 0 0 "[ . 1 . 2]" 1
402 1 20 LYS HG3 1 21 TYR QD 4.000 . 5.000 4.239 2.247 5.127 0.127 17 0 "[ . 1 . 2]" 1
403 1 20 LYS HG3 1 21 TYR QE 4.000 . 5.000 4.032 2.423 5.118 0.118 16 0 "[ . 1 . 2]" 1
404 1 21 TYR H 1 21 TYR HB2 4.000 . 5.000 2.584 2.328 2.825 . 0 0 "[ . 1 . 2]" 1
405 1 21 TYR H 1 21 TYR HB3 3.000 . 3.300 3.531 3.487 3.560 0.260 2 0 "[ . 1 . 2]" 1
406 1 21 TYR H 1 21 TYR QD 4.000 . 5.000 2.394 1.741 2.932 0.059 20 0 "[ . 1 . 2]" 1
407 1 21 TYR H 1 21 TYR QE 4.000 . 6.000 3.955 3.582 4.208 . 0 0 "[ . 1 . 2]" 1
408 1 21 TYR H 1 23 CYS H 4.000 . 5.000 3.906 3.467 4.287 . 0 0 "[ . 1 . 2]" 1
409 1 21 TYR HA 1 22 ASN H 3.000 . 3.300 3.310 3.231 3.365 0.065 18 0 "[ . 1 . 2]" 1
410 1 21 TYR HB2 1 22 ASN H 4.000 . 5.000 3.546 3.350 3.747 . 0 0 "[ . 1 . 2]" 1
411 1 21 TYR HB2 1 23 CYS H 4.000 . 5.000 3.017 2.494 3.338 . 0 0 "[ . 1 . 2]" 1
412 1 21 TYR HB2 1 23 CYS HB3 4.000 . 5.000 3.456 2.413 4.972 . 0 0 "[ . 1 . 2]" 1
413 1 21 TYR HB2 1 37 ASN HA 4.000 . 5.000 4.177 3.094 5.029 0.029 15 0 "[ . 1 . 2]" 1
414 1 21 TYR HB2 1 37 ASN HD21 4.000 . 6.000 5.265 3.769 6.065 0.065 12 0 "[ . 1 . 2]" 1
415 1 21 TYR HB3 1 22 ASN H 4.000 . 5.000 4.374 4.113 4.483 . 0 0 "[ . 1 . 2]" 1
416 1 21 TYR HB3 1 23 CYS H 4.000 . 5.000 4.255 3.758 4.724 . 0 0 "[ . 1 . 2]" 1
417 1 21 TYR HB3 1 37 ASN HA 4.000 . 5.000 3.848 2.842 5.064 0.064 3 0 "[ . 1 . 2]" 1
418 1 21 TYR QD 1 22 ASN H 4.000 . 5.000 4.346 4.042 4.534 . 0 0 "[ . 1 . 2]" 1
419 1 21 TYR QD 1 35 CYS HB2 4.000 . 5.000 3.680 2.680 4.577 . 0 0 "[ . 1 . 2]" 1
420 1 21 TYR QD 1 35 CYS HB3 4.000 . 5.000 4.273 2.697 5.200 0.200 18 0 "[ . 1 . 2]" 1
421 1 21 TYR QE 1 35 CYS H 4.000 . 5.000 4.514 3.663 5.155 0.155 18 0 "[ . 1 . 2]" 1
422 1 22 ASN H 1 22 ASN HA 2.500 . 2.700 2.358 2.337 2.402 . 0 0 "[ . 1 . 2]" 1
423 1 22 ASN H 1 22 ASN HB2 4.000 . 5.000 3.384 2.944 4.037 . 0 0 "[ . 1 . 2]" 1
424 1 22 ASN H 1 22 ASN HB3 4.000 . 5.000 3.808 2.942 4.180 . 0 0 "[ . 1 . 2]" 1
425 1 22 ASN H 1 23 CYS H 3.000 . 3.300 2.763 2.521 3.037 . 0 0 "[ . 1 . 2]" 1
426 1 22 ASN HA 1 22 ASN HB2 2.500 . 2.700 2.758 2.326 2.979 0.279 2 0 "[ . 1 . 2]" 1
427 1 22 ASN HA 1 22 ASN HB3 2.500 . 2.700 2.686 2.268 2.915 0.215 17 0 "[ . 1 . 2]" 1
428 1 22 ASN HA 1 23 CYS H 3.000 . 3.300 2.875 2.678 3.156 . 0 0 "[ . 1 . 2]" 1
429 1 22 ASN HB2 1 22 ASN HD21 3.000 . 3.300 2.883 2.257 3.437 0.137 20 0 "[ . 1 . 2]" 1
430 1 22 ASN HB2 1 41 TRP HE1 4.000 . 6.000 4.315 2.612 6.088 0.088 1 0 "[ . 1 . 2]" 1
431 1 23 CYS H 1 23 CYS HB2 4.000 . 5.000 3.235 2.638 3.949 . 0 0 "[ . 1 . 2]" 1
432 1 23 CYS H 1 23 CYS HB3 4.000 . 5.000 3.132 2.491 3.939 . 0 0 "[ . 1 . 2]" 1
433 1 23 CYS H 1 24 ALA H 4.000 . 6.000 2.747 1.697 4.287 0.103 19 0 "[ . 1 . 2]" 1
434 1 23 CYS HA 1 24 ALA H 3.000 . 3.300 2.932 2.090 3.499 0.199 13 0 "[ . 1 . 2]" 1
435 1 23 CYS HA 1 24 ALA MB 4.000 . 5.000 3.868 3.731 4.115 . 0 0 "[ . 1 . 2]" 1
436 1 23 CYS HA 1 25 ARG H 4.000 . 6.000 6.107 6.012 6.179 0.179 17 0 "[ . 1 . 2]" 1
437 1 23 CYS HA 1 39 CYS HB2 4.000 . 5.000 2.745 2.081 3.323 . 0 0 "[ . 1 . 2]" 1
438 1 23 CYS HA 1 41 TRP HE1 4.000 . 5.000 3.856 1.825 4.915 . 0 0 "[ . 1 . 2]" 1
439 1 23 CYS HA 1 41 TRP HZ2 4.000 . 5.000 3.620 2.264 5.007 0.007 20 0 "[ . 1 . 2]" 1
440 1 23 CYS HB2 1 24 ALA H 4.000 . 5.000 3.931 2.908 4.524 . 0 0 "[ . 1 . 2]" 1
441 1 23 CYS HB2 1 37 ASN HA 4.000 . 5.000 2.999 2.189 4.719 . 0 0 "[ . 1 . 2]" 1
442 1 23 CYS HB2 1 39 CYS H 4.000 . 5.000 3.675 2.890 4.991 . 0 0 "[ . 1 . 2]" 1
443 1 23 CYS HB3 1 24 ALA H 4.000 . 6.000 3.456 2.509 4.502 . 0 0 "[ . 1 . 2]" 1
444 1 23 CYS HB3 1 37 ASN HA 4.000 . 5.000 2.968 2.172 4.364 . 0 0 "[ . 1 . 2]" 1
445 1 23 CYS HB3 1 39 CYS H 4.000 . 5.000 3.780 2.280 5.091 0.091 20 0 "[ . 1 . 2]" 1
446 1 24 ALA H 1 24 ALA MB 2.500 . 2.700 2.573 2.097 2.923 0.223 13 0 "[ . 1 . 2]" 1
447 1 24 ALA H 1 25 ARG H 4.000 . 5.000 4.393 3.822 4.649 . 0 0 "[ . 1 . 2]" 1
448 1 24 ALA H 1 25 ARG HG2 4.000 . 5.000 4.646 3.405 5.165 0.165 15 0 "[ . 1 . 2]" 1
449 1 24 ALA HA 1 25 ARG H 4.000 . 5.000 2.995 2.876 3.205 . 0 0 "[ . 1 . 2]" 1
450 1 24 ALA MB 1 25 ARG H 2.500 . 2.700 1.783 1.580 1.869 0.220 15 0 "[ . 1 . 2]" 1
451 1 24 ALA MB 1 25 ARG HA 4.000 . 5.000 3.704 3.511 3.791 . 0 0 "[ . 1 . 2]" 1
452 1 24 ALA MB 1 39 CYS HB2 4.000 . 5.000 4.963 3.740 5.297 0.297 11 0 "[ . 1 . 2]" 1
453 1 25 ARG H 1 25 ARG HB2 4.000 . 5.000 3.797 3.592 4.076 . 0 0 "[ . 1 . 2]" 1
454 1 25 ARG H 1 25 ARG HB3 4.000 . 5.000 3.586 2.836 4.073 . 0 0 "[ . 1 . 2]" 1
455 1 25 ARG H 1 25 ARG QD 4.000 . 5.000 3.686 1.781 5.058 0.058 10 0 "[ . 1 . 2]" 1
456 1 25 ARG H 1 25 ARG HG2 4.000 . 5.000 3.082 2.235 4.772 . 0 0 "[ . 1 . 2]" 1
457 1 25 ARG H 1 25 ARG HG3 4.000 . 5.000 4.090 2.886 4.939 . 0 0 "[ . 1 . 2]" 1
458 1 25 ARG H 1 26 ALA H 4.000 . 5.000 2.916 2.621 3.287 . 0 0 "[ . 1 . 2]" 1
459 1 25 ARG HA 1 25 ARG QD 4.000 . 5.000 3.289 2.022 4.713 . 0 0 "[ . 1 . 2]" 1
460 1 25 ARG HA 1 25 ARG HG3 4.000 . 5.000 3.793 3.337 4.080 . 0 0 "[ . 1 . 2]" 1
461 1 25 ARG HA 1 26 ALA H 2.500 . 2.700 2.720 2.444 2.849 0.149 15 0 "[ . 1 . 2]" 1
462 1 25 ARG HB2 1 26 ALA H 4.000 . 5.000 4.351 4.151 4.635 . 0 0 "[ . 1 . 2]" 1
463 1 25 ARG HB2 1 36 TYR QD 4.000 . 6.000 4.138 2.954 5.934 . 0 0 "[ . 1 . 2]" 1
464 1 25 ARG HB2 1 36 TYR QE 4.000 . 6.000 3.549 2.279 5.046 . 0 0 "[ . 1 . 2]" 1
465 1 25 ARG HB3 1 26 ALA H 4.000 . 5.000 4.532 4.222 4.678 . 0 0 "[ . 1 . 2]" 1
466 1 25 ARG HB3 1 36 TYR QD 4.000 . 6.000 4.906 3.620 6.058 0.058 4 0 "[ . 1 . 2]" 1
467 1 25 ARG QD 1 26 ALA H 4.000 . 6.000 5.096 4.241 5.988 . 0 0 "[ . 1 . 2]" 1
468 1 25 ARG HE 1 25 ARG HG2 4.000 . 5.000 3.295 2.156 4.123 . 0 0 "[ . 1 . 2]" 1
469 1 25 ARG HE 1 25 ARG HG3 4.000 . 5.000 3.277 2.363 3.988 . 0 0 "[ . 1 . 2]" 1
470 1 25 ARG HG2 1 36 TYR QD 4.000 . 6.000 5.223 2.522 6.094 0.094 14 0 "[ . 1 . 2]" 1
471 1 25 ARG HG3 1 26 ALA H 4.000 . 6.000 5.245 3.779 5.997 . 0 0 "[ . 1 . 2]" 1
472 1 25 ARG HG3 1 36 TYR QD 4.000 . 6.000 4.553 3.062 5.729 . 0 0 "[ . 1 . 2]" 1
473 1 25 ARG HG3 1 36 TYR QE 4.000 . 6.000 4.352 2.291 6.038 0.038 19 0 "[ . 1 . 2]" 1
474 1 26 ALA H 1 26 ALA HA 3.000 . 3.300 2.950 2.922 2.985 . 0 0 "[ . 1 . 2]" 1
475 1 26 ALA H 1 35 CYS HA 4.000 . 5.000 4.770 4.541 5.017 0.017 2 0 "[ . 1 . 2]" 1
476 1 26 ALA HA 1 27 LYS H 2.500 . 2.700 2.582 2.226 2.728 0.028 4 0 "[ . 1 . 2]" 1
477 1 26 ALA HA 1 34 ASN H 4.000 . 5.000 4.493 3.786 5.065 0.065 4 0 "[ . 1 . 2]" 1
478 1 26 ALA HA 1 36 TYR QD 4.000 . 5.000 3.963 3.115 4.738 . 0 0 "[ . 1 . 2]" 1
479 1 26 ALA HA 1 36 TYR QE 4.000 . 5.000 2.903 2.072 3.724 . 0 0 "[ . 1 . 2]" 1
480 1 26 ALA MB 1 27 LYS H 3.000 . 3.300 2.258 1.872 2.802 . 0 0 "[ . 1 . 2]" 1
481 1 26 ALA MB 1 33 CYS HB3 4.000 . 5.000 3.644 2.817 4.469 . 0 0 "[ . 1 . 2]" 1
482 1 26 ALA MB 1 34 ASN H 4.000 . 5.000 3.018 2.804 3.259 . 0 0 "[ . 1 . 2]" 1
483 1 26 ALA MB 1 35 CYS H 4.000 . 5.000 3.497 3.249 4.027 . 0 0 "[ . 1 . 2]" 1
484 1 26 ALA MB 1 35 CYS HA 4.000 . 5.000 2.899 2.325 3.311 . 0 0 "[ . 1 . 2]" 1
485 1 26 ALA MB 1 35 CYS HB2 4.000 . 5.000 3.466 2.795 3.857 . 0 0 "[ . 1 . 2]" 1
486 1 27 LYS H 1 27 LYS HB2 4.000 . 5.000 2.983 2.668 3.255 . 0 0 "[ . 1 . 2]" 1
487 1 27 LYS H 1 27 LYS HB3 4.000 . 5.000 2.979 2.671 3.442 . 0 0 "[ . 1 . 2]" 1
488 1 27 LYS H 1 27 LYS QD 4.000 . 6.000 4.960 4.693 5.332 . 0 0 "[ . 1 . 2]" 1
489 1 27 LYS H 1 27 LYS HG2 4.000 . 5.000 4.663 4.374 4.815 . 0 0 "[ . 1 . 2]" 1
490 1 27 LYS H 1 27 LYS HG3 4.000 . 5.000 4.639 4.261 4.811 . 0 0 "[ . 1 . 2]" 1
491 1 27 LYS H 1 28 CYS H 4.000 . 5.000 4.292 4.117 4.484 . 0 0 "[ . 1 . 2]" 1
492 1 27 LYS H 1 34 ASN H 4.000 . 5.000 2.265 1.894 2.557 . 0 0 "[ . 1 . 2]" 1
493 1 27 LYS H 1 34 ASN HA 4.000 . 6.000 4.182 3.974 4.455 . 0 0 "[ . 1 . 2]" 1
494 1 27 LYS H 1 34 ASN HB2 4.000 . 5.000 4.354 4.024 4.713 . 0 0 "[ . 1 . 2]" 1
495 1 27 LYS H 1 34 ASN HB3 4.000 . 5.000 3.231 2.866 3.704 . 0 0 "[ . 1 . 2]" 1
496 1 27 LYS H 1 35 CYS HA 3.000 . 3.300 3.094 2.503 3.406 0.106 2 0 "[ . 1 . 2]" 1
497 1 27 LYS H 1 36 TYR QE 4.000 . 5.000 4.236 3.195 5.002 0.002 16 0 "[ . 1 . 2]" 1
498 1 27 LYS HA 1 27 LYS QD 4.000 . 5.000 4.005 3.848 4.206 . 0 0 "[ . 1 . 2]" 1
499 1 27 LYS HA 1 27 LYS HG2 3.000 . 3.300 2.853 2.489 3.147 . 0 0 "[ . 1 . 2]" 1
500 1 27 LYS HA 1 27 LYS HG3 4.000 . 5.000 2.357 2.185 2.658 . 0 0 "[ . 1 . 2]" 1
501 1 27 LYS HA 1 28 CYS H 4.000 . 5.000 2.245 2.211 2.300 . 0 0 "[ . 1 . 2]" 1
502 1 27 LYS HB2 1 28 CYS H 4.000 . 5.000 4.445 4.286 4.580 . 0 0 "[ . 1 . 2]" 1
503 1 27 LYS HB2 1 34 ASN HB3 3.000 . 3.300 3.225 2.546 3.423 0.123 8 0 "[ . 1 . 2]" 1
504 1 27 LYS HB2 1 36 TYR QE 4.000 . 5.000 3.417 2.196 4.159 . 0 0 "[ . 1 . 2]" 1
505 1 27 LYS HB3 1 27 LYS QE 4.000 . 5.000 3.369 2.185 4.274 . 0 0 "[ . 1 . 2]" 1
506 1 27 LYS HB3 1 28 CYS H 4.000 . 5.000 4.003 3.612 4.336 . 0 0 "[ . 1 . 2]" 1
507 1 27 LYS HB3 1 29 MET QG 4.000 . 5.000 3.555 2.596 4.770 . 0 0 "[ . 1 . 2]" 1
508 1 27 LYS HB3 1 34 ASN H 4.000 . 5.000 3.686 3.311 4.044 . 0 0 "[ . 1 . 2]" 1
509 1 27 LYS HB3 1 34 ASN HB2 3.000 . 3.300 3.336 2.956 3.440 0.140 9 0 "[ . 1 . 2]" 1
510 1 27 LYS HB3 1 34 ASN HB3 4.000 . 5.000 1.875 1.682 2.308 0.118 14 0 "[ . 1 . 2]" 1
511 1 27 LYS QD 1 28 CYS H 4.000 . 5.000 4.809 4.449 5.013 0.013 9 0 "[ . 1 . 2]" 1
512 1 27 LYS QD 1 36 TYR QE 4.000 . 5.000 4.059 3.020 4.929 . 0 0 "[ . 1 . 2]" 1
513 1 27 LYS HE3 1 36 TYR QE 4.000 . 5.000 4.101 2.161 5.079 0.079 15 0 "[ . 1 . 2]" 1
514 1 27 LYS HG2 1 28 CYS H 3.000 . 3.300 3.056 2.606 3.310 0.010 13 0 "[ . 1 . 2]" 1
515 1 27 LYS HG2 1 29 MET QG 4.000 . 5.000 3.033 2.196 3.811 . 0 0 "[ . 1 . 2]" 1
516 1 27 LYS HG3 1 28 CYS H 4.000 . 5.000 3.476 3.037 4.114 . 0 0 "[ . 1 . 2]" 1
517 1 27 LYS HG3 1 29 MET QG 4.000 . 5.000 4.423 3.292 5.108 0.108 8 0 "[ . 1 . 2]" 1
518 1 28 CYS H 1 28 CYS HB2 2.500 . 2.700 2.557 2.104 2.762 0.062 6 0 "[ . 1 . 2]" 1
519 1 28 CYS H 1 28 CYS HB3 3.000 . 3.300 2.768 2.463 3.363 0.063 18 0 "[ . 1 . 2]" 1
520 1 28 CYS HA 1 28 CYS HB2 2.500 . 2.700 2.585 2.458 2.891 0.191 17 0 "[ . 1 . 2]" 1
521 1 28 CYS HA 1 29 MET H 2.500 . 2.700 2.355 2.241 2.482 . 0 0 "[ . 1 . 2]" 1
522 1 28 CYS HA 1 33 CYS HB3 4.000 . 5.000 5.021 4.559 5.212 0.212 17 0 "[ . 1 . 2]" 1
523 1 28 CYS HA 1 34 ASN H 4.000 . 5.000 3.441 2.982 3.854 . 0 0 "[ . 1 . 2]" 1
524 1 28 CYS HB2 1 29 MET H 4.000 . 5.000 4.626 4.553 4.691 . 0 0 "[ . 1 . 2]" 1
525 1 29 MET H 1 29 MET HB2 3.000 . 3.300 2.213 2.068 2.365 . 0 0 "[ . 1 . 2]" 1
526 1 29 MET H 1 29 MET HB3 3.000 . 3.300 3.362 3.132 3.499 0.199 18 0 "[ . 1 . 2]" 1
527 1 29 MET H 1 29 MET QG 4.000 . 5.000 3.442 2.972 4.135 . 0 0 "[ . 1 . 2]" 1
528 1 29 MET H 1 32 HIS H 4.000 . 5.000 3.601 3.146 4.093 . 0 0 "[ . 1 . 2]" 1
529 1 29 MET H 1 32 HIS HA 4.000 . 6.000 5.181 4.884 5.472 . 0 0 "[ . 1 . 2]" 1
530 1 29 MET H 1 33 CYS HA 4.000 . 5.000 3.437 3.084 3.752 . 0 0 "[ . 1 . 2]" 1
531 1 29 MET H 1 34 ASN H 4.000 . 5.000 3.695 3.395 4.074 . 0 0 "[ . 1 . 2]" 1
532 1 29 MET HA 1 29 MET QG 3.000 . 3.300 2.280 2.030 2.707 . 0 0 "[ . 1 . 2]" 1
533 1 29 MET HB2 1 29 MET QG 2.500 . 2.700 2.234 2.183 2.410 . 0 0 "[ . 1 . 2]" 1
534 1 29 MET HB2 1 30 ASN H 4.000 . 5.000 4.190 3.347 4.487 . 0 0 "[ . 1 . 2]" 1
535 1 29 MET HB2 1 30 ASN HD22 4.000 . 6.000 4.649 3.322 6.009 0.009 10 0 "[ . 1 . 2]" 1
536 1 29 MET HB2 1 34 ASN HA 4.000 . 5.000 4.957 4.656 5.094 0.094 16 0 "[ . 1 . 2]" 1
537 1 29 MET HB2 1 34 ASN HB2 4.000 . 5.000 2.414 2.228 2.666 . 0 0 "[ . 1 . 2]" 1
538 1 29 MET HB2 1 34 ASN HB3 4.000 . 5.000 3.205 2.617 3.631 . 0 0 "[ . 1 . 2]" 1
539 1 29 MET HB2 1 34 ASN HD21 4.000 . 5.000 2.750 2.178 3.489 . 0 0 "[ . 1 . 2]" 1
540 1 29 MET HB2 1 34 ASN HD22 4.000 . 5.000 4.331 3.800 5.042 0.042 13 0 "[ . 1 . 2]" 1
541 1 29 MET HB3 1 29 MET QG 2.500 . 2.700 2.415 2.189 2.552 . 0 0 "[ . 1 . 2]" 1
542 1 29 MET HB3 1 30 ASN H 4.000 . 5.000 3.035 1.775 3.708 0.025 13 0 "[ . 1 . 2]" 1
543 1 29 MET HB3 1 34 ASN HB3 4.000 . 5.000 4.820 4.174 5.070 0.070 13 0 "[ . 1 . 2]" 1
544 1 29 MET HB3 1 34 ASN HD21 4.000 . 6.000 3.418 2.781 4.279 . 0 0 "[ . 1 . 2]" 1
545 1 29 MET QG 1 30 ASN H 4.000 . 5.000 3.620 2.535 4.169 . 0 0 "[ . 1 . 2]" 1
546 1 29 MET QG 1 30 ASN HD22 4.000 . 6.000 4.636 3.131 5.784 . 0 0 "[ . 1 . 2]" 1
547 1 29 MET QG 1 34 ASN HD21 4.000 . 6.000 3.514 2.848 4.099 . 0 0 "[ . 1 . 2]" 1
548 1 29 MET QG 1 34 ASN HD22 4.000 . 5.000 4.541 3.936 5.014 0.014 11 0 "[ . 1 . 2]" 1
549 1 30 ASN H 1 30 ASN HA 2.500 . 2.700 2.395 2.339 2.826 0.126 13 0 "[ . 1 . 2]" 1
550 1 30 ASN H 1 30 ASN HB2 4.000 . 5.000 3.731 2.549 4.079 . 0 0 "[ . 1 . 2]" 1
551 1 30 ASN H 1 30 ASN HB3 4.000 . 5.000 3.574 3.020 4.050 . 0 0 "[ . 1 . 2]" 1
552 1 30 ASN H 1 31 ARG H 4.000 . 5.000 3.284 2.784 4.535 . 0 0 "[ . 1 . 2]" 1
553 1 30 ASN H 1 31 ARG HA 4.000 . 6.000 5.343 5.004 6.029 0.029 13 0 "[ . 1 . 2]" 1
554 1 30 ASN H 1 31 ARG QG 4.000 . 6.000 4.990 4.342 5.466 . 0 0 "[ . 1 . 2]" 1
555 1 30 ASN H 1 32 HIS H 4.000 . 6.000 4.127 3.942 4.529 . 0 0 "[ . 1 . 2]" 1
556 1 30 ASN HA 1 30 ASN HB2 2.500 . 2.700 2.800 2.488 2.980 0.280 10 0 "[ . 1 . 2]" 1
557 1 30 ASN HA 1 30 ASN HD22 4.000 . 6.000 4.666 3.407 5.257 . 0 0 "[ . 1 . 2]" 1
558 1 30 ASN HA 1 31 ARG H 2.500 . 2.700 2.568 2.208 2.952 0.252 4 0 "[ . 1 . 2]" 1
559 1 30 ASN HA 1 31 ARG HE 4.000 . 5.000 4.381 2.878 5.100 0.100 13 0 "[ . 1 . 2]" 1
560 1 30 ASN HB2 1 31 ARG H 4.000 . 5.000 4.178 2.097 4.417 . 0 0 "[ . 1 . 2]" 1
561 1 30 ASN HB2 1 32 HIS H 4.000 . 5.000 4.218 2.987 5.026 0.026 17 0 "[ . 1 . 2]" 1
562 1 30 ASN HB2 1 32 HIS HE1 4.000 . 5.000 4.334 3.526 5.047 0.047 12 0 "[ . 1 . 2]" 1
563 1 30 ASN HB3 1 31 ARG H 4.000 . 6.000 4.360 1.764 4.660 0.036 4 0 "[ . 1 . 2]" 1
564 1 30 ASN HB3 1 32 HIS H 4.000 . 6.000 5.062 4.075 5.554 . 0 0 "[ . 1 . 2]" 1
565 1 30 ASN HB3 1 32 HIS HE1 4.000 . 6.000 4.975 3.736 6.033 0.033 6 0 "[ . 1 . 2]" 1
566 1 31 ARG H 1 31 ARG HA 2.500 . 2.700 2.367 2.324 2.914 0.214 4 0 "[ . 1 . 2]" 1
567 1 31 ARG H 1 31 ARG HB3 4.000 . 5.000 3.245 2.881 3.515 . 0 0 "[ . 1 . 2]" 1
568 1 31 ARG H 1 31 ARG QG 3.000 . 3.300 2.962 1.643 3.422 0.157 4 0 "[ . 1 . 2]" 1
569 1 31 ARG H 1 32 HIS H 2.500 . 2.700 2.834 2.726 2.885 0.185 16 0 "[ . 1 . 2]" 1
570 1 31 ARG HA 1 31 ARG HB2 2.500 . 2.700 2.640 2.424 2.792 0.092 15 0 "[ . 1 . 2]" 1
571 1 31 ARG HA 1 31 ARG HD2 4.000 . 5.000 4.594 3.499 5.241 0.241 12 0 "[ . 1 . 2]" 1
572 1 31 ARG HA 1 31 ARG HD3 4.000 . 5.000 4.363 3.405 4.966 . 0 0 "[ . 1 . 2]" 1
573 1 31 ARG HA 1 31 ARG HE 4.000 . 6.000 5.384 3.397 6.042 0.042 9 0 "[ . 1 . 2]" 1
574 1 31 ARG HA 1 32 HIS H 2.500 . 2.700 2.806 2.743 2.842 0.142 9 0 "[ . 1 . 2]" 1
575 1 31 ARG HB2 1 31 ARG HD2 4.000 . 5.000 3.179 2.455 3.927 . 0 0 "[ . 1 . 2]" 1
576 1 31 ARG HB2 1 31 ARG HD3 4.000 . 5.000 3.368 2.829 4.189 . 0 0 "[ . 1 . 2]" 1
577 1 31 ARG HB2 1 31 ARG HE 4.000 . 5.000 4.530 4.026 5.065 0.065 1 0 "[ . 1 . 2]" 1
578 1 31 ARG HB2 1 32 HIS H 4.000 . 5.000 4.345 4.235 4.487 . 0 0 "[ . 1 . 2]" 1
579 1 31 ARG HB2 1 32 HIS HE1 4.000 . 5.000 4.141 3.601 4.970 . 0 0 "[ . 1 . 2]" 1
580 1 31 ARG HB3 1 31 ARG HD2 4.000 . 5.000 2.909 2.138 3.503 . 0 0 "[ . 1 . 2]" 1
581 1 31 ARG HB3 1 31 ARG HD3 3.000 . 3.300 2.643 2.103 3.512 0.212 10 0 "[ . 1 . 2]" 1
582 1 31 ARG HB3 1 31 ARG HE 4.000 . 5.000 3.978 2.510 4.427 . 0 0 "[ . 1 . 2]" 1
583 1 31 ARG HB3 1 32 HIS H 4.000 . 5.000 4.623 4.526 4.661 . 0 0 "[ . 1 . 2]" 1
584 1 31 ARG HB3 1 32 HIS HE1 4.000 . 5.000 5.096 5.043 5.156 0.156 13 0 "[ . 1 . 2]" 1
585 1 31 ARG HD2 1 31 ARG QG 2.500 . 2.700 2.316 2.146 2.483 . 0 0 "[ . 1 . 2]" 1
586 1 31 ARG HD3 1 31 ARG QG 2.500 . 2.700 2.364 2.168 2.530 . 0 0 "[ . 1 . 2]" 1
587 1 31 ARG QG 1 32 HIS H 4.000 . 5.000 3.833 3.644 4.135 . 0 0 "[ . 1 . 2]" 1
588 1 31 ARG QG 1 32 HIS HA 4.000 . 5.000 4.747 4.117 5.158 0.158 15 0 "[ . 1 . 2]" 1
589 1 31 ARG QG 1 32 HIS HD2 4.000 . 6.000 4.815 3.693 5.625 . 0 0 "[ . 1 . 2]" 1
590 1 31 ARG QG 1 32 HIS HE1 4.000 . 5.000 2.355 2.135 2.683 . 0 0 "[ . 1 . 2]" 1
591 1 32 HIS H 1 32 HIS HB2 4.000 . 5.000 2.873 2.831 2.919 . 0 0 "[ . 1 . 2]" 1
592 1 32 HIS H 1 33 CYS H 4.000 . 5.000 4.460 4.412 4.493 . 0 0 "[ . 1 . 2]" 1
593 1 32 HIS H 1 33 CYS HA 4.000 . 6.000 4.863 4.772 4.946 . 0 0 "[ . 1 . 2]" 1
594 1 32 HIS HA 1 33 CYS H 2.500 . 2.700 2.401 2.275 2.519 . 0 0 "[ . 1 . 2]" 1
595 1 32 HIS HA 1 33 CYS HB2 4.000 . 5.000 4.428 4.260 4.800 . 0 0 "[ . 1 . 2]" 1
596 1 32 HIS HB2 1 33 CYS H 4.000 . 5.000 3.762 3.524 4.011 . 0 0 "[ . 1 . 2]" 1
597 1 32 HIS HB3 1 33 CYS H 4.000 . 5.000 2.596 2.343 2.933 . 0 0 "[ . 1 . 2]" 1
598 1 32 HIS HD2 1 33 CYS H 4.000 . 6.000 4.154 4.055 4.242 . 0 0 "[ . 1 . 2]" 1
599 1 33 CYS H 1 33 CYS HB2 2.500 . 2.700 2.187 2.082 2.601 . 0 0 "[ . 1 . 2]" 1
600 1 33 CYS H 1 33 CYS HB3 3.000 . 3.300 3.360 2.682 3.571 0.271 13 0 "[ . 1 . 2]" 1
601 1 33 CYS HA 1 34 ASN H 2.500 . 2.700 2.258 2.217 2.322 . 0 0 "[ . 1 . 2]" 1
602 1 33 CYS HA 1 34 ASN HB3 4.000 . 5.000 4.754 4.384 5.000 . 3 0 "[ . 1 . 2]" 1
603 1 33 CYS HB3 1 34 ASN H 4.000 . 5.000 3.073 2.915 3.742 . 0 0 "[ . 1 . 2]" 1
604 1 34 ASN H 1 34 ASN HB2 3.000 . 3.300 3.123 2.885 3.334 0.034 15 0 "[ . 1 . 2]" 1
605 1 34 ASN H 1 34 ASN HB3 3.000 . 3.300 2.996 2.773 3.185 . 0 0 "[ . 1 . 2]" 1
606 1 34 ASN H 1 35 CYS H 4.000 . 5.000 3.686 3.561 3.948 . 0 0 "[ . 1 . 2]" 1
607 1 34 ASN HA 1 35 CYS H 2.500 . 2.700 2.369 2.255 2.466 . 0 0 "[ . 1 . 2]" 1
608 1 34 ASN HB2 1 35 CYS H 4.000 . 5.000 4.704 4.543 4.784 . 0 0 "[ . 1 . 2]" 1
609 1 34 ASN HB3 1 35 CYS H 4.000 . 5.000 4.410 4.340 4.524 . 0 0 "[ . 1 . 2]" 1
610 1 34 ASN HB3 1 36 TYR QE 4.000 . 6.000 4.853 4.056 5.651 . 0 0 "[ . 1 . 2]" 1
611 1 35 CYS H 1 35 CYS HB2 4.000 . 5.000 3.056 2.208 3.585 . 0 0 "[ . 1 . 2]" 1
612 1 35 CYS H 1 35 CYS HB3 3.000 . 3.300 3.453 3.180 3.624 0.324 14 0 "[ . 1 . 2]" 1
613 1 35 CYS H 1 36 TYR H 4.000 . 5.000 4.431 4.328 4.527 . 0 0 "[ . 1 . 2]" 1
614 1 35 CYS HA 1 36 TYR QD 4.000 . 5.000 3.102 2.442 3.780 . 0 0 "[ . 1 . 2]" 1
615 1 35 CYS HA 1 36 TYR QE 4.000 . 5.000 2.967 2.441 3.673 . 0 0 "[ . 1 . 2]" 1
616 1 35 CYS HA 1 37 ASN H 4.000 . 5.000 4.321 4.165 4.520 . 0 0 "[ . 1 . 2]" 1
617 1 35 CYS HB2 1 36 TYR H 4.000 . 5.000 2.507 1.801 3.757 . 0 0 "[ . 1 . 2]" 1
618 1 35 CYS HB2 1 36 TYR QE 4.000 . 5.000 5.116 4.936 5.265 0.265 11 0 "[ . 1 . 2]" 1
619 1 35 CYS HB2 1 37 ASN H 4.000 . 5.000 2.807 2.040 4.344 . 0 0 "[ . 1 . 2]" 1
620 1 35 CYS HB3 1 36 TYR H 4.000 . 5.000 2.693 2.088 3.171 . 0 0 "[ . 1 . 2]" 1
621 1 35 CYS HB3 1 36 TYR QE 4.000 . 5.000 4.575 3.930 5.044 0.044 11 0 "[ . 1 . 2]" 1
622 1 35 CYS HB3 1 37 ASN H 4.000 . 5.000 3.360 2.428 4.016 . 0 0 "[ . 1 . 2]" 1
623 1 36 TYR H 1 36 TYR HB2 4.000 . 5.000 3.191 2.803 3.569 . 0 0 "[ . 1 . 2]" 1
624 1 36 TYR H 1 37 ASN H 4.000 . 5.000 1.824 1.734 1.941 0.066 13 0 "[ . 1 . 2]" 1
625 1 36 TYR HA 1 36 TYR HB2 2.500 . 2.700 2.900 2.809 2.965 0.265 5 0 "[ . 1 . 2]" 1
626 1 36 TYR HA 1 36 TYR QD 3.000 . 3.300 3.238 2.612 3.474 0.174 6 0 "[ . 1 . 2]" 1
627 1 36 TYR HB2 1 37 ASN H 4.000 . 5.000 3.672 3.318 3.988 . 0 0 "[ . 1 . 2]" 1
628 1 36 TYR HB2 1 38 ASN H 4.000 . 5.000 2.805 2.113 4.046 . 0 0 "[ . 1 . 2]" 1
629 1 36 TYR HB2 1 38 ASN HD21 4.000 . 5.000 3.387 1.878 4.946 . 0 0 "[ . 1 . 2]" 1
630 1 36 TYR HB2 1 38 ASN HD22 4.000 . 5.000 3.947 2.611 5.053 0.053 8 0 "[ . 1 . 2]" 1
631 1 36 TYR HB3 1 37 ASN H 4.000 . 5.000 4.529 4.355 4.664 . 0 0 "[ . 1 . 2]" 1
632 1 36 TYR HB3 1 38 ASN H 4.000 . 5.000 4.301 3.304 5.069 0.069 12 0 "[ . 1 . 2]" 1
633 1 36 TYR HB3 1 38 ASN HD21 4.000 . 6.000 4.167 1.924 6.087 0.087 20 0 "[ . 1 . 2]" 1
634 1 37 ASN H 1 37 ASN HA 2.500 . 2.700 2.343 2.332 2.361 . 0 0 "[ . 1 . 2]" 1
635 1 37 ASN H 1 37 ASN HB2 4.000 . 5.000 3.247 2.965 3.686 . 0 0 "[ . 1 . 2]" 1
636 1 37 ASN H 1 37 ASN HB3 4.000 . 5.000 4.000 3.756 4.135 . 0 0 "[ . 1 . 2]" 1
637 1 37 ASN H 1 38 ASN H 4.000 . 5.000 2.876 2.658 4.165 . 0 0 "[ . 1 . 2]" 1
638 1 37 ASN H 1 39 CYS H 4.000 . 6.000 4.599 3.803 5.769 . 0 0 "[ . 1 . 2]" 1
639 1 37 ASN HA 1 37 ASN HD21 4.000 . 5.000 3.952 3.196 4.453 . 0 0 "[ . 1 . 2]" 1
640 1 37 ASN HA 1 37 ASN HD22 4.000 . 5.000 4.219 3.717 4.725 . 0 0 "[ . 1 . 2]" 1
641 1 37 ASN HA 1 38 ASN H 4.000 . 5.000 3.043 2.694 3.497 . 0 0 "[ . 1 . 2]" 1
642 1 37 ASN HA 1 39 CYS H 4.000 . 5.000 3.521 3.117 4.717 . 0 0 "[ . 1 . 2]" 1
643 1 37 ASN HB2 1 37 ASN HD21 3.000 . 3.300 2.214 2.166 2.299 . 0 0 "[ . 1 . 2]" 1
644 1 37 ASN HB2 1 38 ASN H 4.000 . 5.000 4.070 2.241 4.609 . 0 0 "[ . 1 . 2]" 1
645 1 38 ASN H 1 38 ASN HB2 4.000 . 5.000 2.956 2.140 4.031 . 0 0 "[ . 1 . 2]" 1
646 1 38 ASN H 1 38 ASN HB3 4.000 . 5.000 3.196 2.482 3.617 . 0 0 "[ . 1 . 2]" 1
647 1 38 ASN H 1 39 CYS H 3.000 . 3.300 2.705 2.214 3.303 0.003 8 0 "[ . 1 . 2]" 1
648 1 38 ASN H 1 39 CYS HA 4.000 . 5.000 4.718 4.023 5.259 0.259 9 0 "[ . 1 . 2]" 1
649 1 38 ASN HA 1 38 ASN HB2 2.500 . 2.700 2.674 2.335 2.969 0.269 2 0 "[ . 1 . 2]" 1
650 1 38 ASN HA 1 39 CYS H 4.000 . 5.000 3.072 2.530 3.561 . 0 0 "[ . 1 . 2]" 1
651 1 38 ASN HB3 1 39 CYS H 4.000 . 5.000 4.241 3.536 4.714 . 0 0 "[ . 1 . 2]" 1
652 1 39 CYS H 1 39 CYS HB2 3.000 . 3.300 2.998 2.225 3.526 0.226 8 0 "[ . 1 . 2]" 1
653 1 39 CYS H 1 39 CYS HB3 4.000 . 5.000 3.257 2.223 3.772 . 0 0 "[ . 1 . 2]" 1
654 1 39 CYS HA 1 39 CYS HB2 2.500 . 2.700 2.801 2.308 2.988 0.288 7 0 "[ . 1 . 2]" 1
655 1 39 CYS HA 1 40 PRO HD2 3.000 . 3.300 2.549 2.162 3.304 0.004 7 0 "[ . 1 . 2]" 1
656 1 39 CYS HB2 1 41 TRP HE1 4.000 . 6.000 4.907 2.665 5.935 . 0 0 "[ . 1 . 2]" 1
657 1 39 CYS HB2 1 41 TRP HE3 4.000 . 5.000 3.908 2.720 5.059 0.059 7 0 "[ . 1 . 2]" 1
658 1 39 CYS HB3 1 41 TRP HE1 4.000 . 6.000 5.367 3.851 6.058 0.058 18 0 "[ . 1 . 2]" 1
659 1 39 CYS HB3 1 41 TRP HE3 4.000 . 5.000 4.303 2.432 5.151 0.151 11 0 "[ . 1 . 2]" 1
660 1 40 PRO HA 1 40 PRO HD3 3.000 . 3.300 3.428 3.343 3.518 0.218 3 0 "[ . 1 . 2]" 1
661 1 40 PRO HD3 1 40 PRO HG2 2.500 . 2.700 2.765 2.737 2.822 0.122 18 0 "[ . 1 . 2]" 1
662 1 40 PRO HD3 1 41 TRP HZ3 4.000 . 5.000 4.414 3.893 5.034 0.034 7 0 "[ . 1 . 2]" 1
663 1 40 PRO HG3 1 41 TRP HZ3 4.000 . 5.000 4.806 4.323 5.119 0.119 14 0 "[ . 1 . 2]" 1
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