NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
619868 |
5jpx   |
30075 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5jpx
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 680
_Distance_constraint_stats_list.Viol_count 415
_Distance_constraint_stats_list.Viol_total 637.922
_Distance_constraint_stats_list.Viol_max 0.575
_Distance_constraint_stats_list.Viol_rms 0.0183
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0023
_Distance_constraint_stats_list.Viol_average_violations_only 0.0769
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLN 0.092 0.092 3 0 "[ . 1 . 2]"
1 4 GLY 0.092 0.092 3 0 "[ . 1 . 2]"
1 5 GLU 1.071 0.221 18 0 "[ . 1 . 2]"
1 6 ARG 3.152 0.266 12 0 "[ . 1 . 2]"
1 7 CYS 7.155 0.255 2 0 "[ . 1 . 2]"
1 8 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 VAL 0.348 0.098 13 0 "[ . 1 . 2]"
1 10 HIS 3.660 0.255 2 0 "[ . 1 . 2]"
1 11 GLY 3.665 0.217 16 0 "[ . 1 . 2]"
1 12 GLU 0.573 0.128 4 0 "[ . 1 . 2]"
1 13 ARG 1.562 0.266 12 0 "[ . 1 . 2]"
1 14 LEU 5.454 0.229 13 0 "[ . 1 . 2]"
1 15 HIS 3.080 0.180 13 0 "[ . 1 . 2]"
1 16 LEU 2.286 0.224 14 0 "[ . 1 . 2]"
1 17 PHE 1.567 0.224 14 0 "[ . 1 . 2]"
1 18 CYS 3.841 0.423 11 0 "[ . 1 . 2]"
1 19 GLU 0.190 0.076 8 0 "[ . 1 . 2]"
1 20 LYS 0.045 0.037 14 0 "[ . 1 . 2]"
1 21 ASP 0.921 0.423 11 0 "[ . 1 . 2]"
1 22 GLY 2.534 0.157 3 0 "[ . 1 . 2]"
1 23 LYS 0.644 0.159 16 0 "[ . 1 . 2]"
1 24 ALA 0.519 0.159 16 0 "[ . 1 . 2]"
1 25 LEU 0.964 0.098 7 0 "[ . 1 . 2]"
1 26 CYS 0.115 0.049 15 0 "[ . 1 . 2]"
1 27 TRP 2.555 0.212 2 0 "[ . 1 . 2]"
1 28 VAL 0.100 0.047 14 0 "[ . 1 . 2]"
1 29 CYS 0.267 0.088 20 0 "[ . 1 . 2]"
1 30 ALA 0.732 0.169 17 0 "[ . 1 . 2]"
1 31 GLN 1.546 0.212 2 0 "[ . 1 . 2]"
1 32 SER 0.111 0.047 14 0 "[ . 1 . 2]"
1 34 LYS 3.227 0.575 11 1 "[ . 1+ . 2]"
1 35 HIS 0.909 0.129 7 0 "[ . 1 . 2]"
1 36 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 HIS 0.981 0.152 4 0 "[ . 1 . 2]"
1 39 ALA 0.201 0.088 3 0 "[ . 1 . 2]"
1 40 MET 2.804 0.188 13 0 "[ . 1 . 2]"
1 41 VAL 0.947 0.167 14 0 "[ . 1 . 2]"
1 42 PRO 1.302 0.167 14 0 "[ . 1 . 2]"
1 43 LEU 1.102 0.163 14 0 "[ . 1 . 2]"
1 44 GLU 0.593 0.260 1 0 "[ . 1 . 2]"
1 45 GLU 0.303 0.260 1 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 GLY QA 1 2 THR HA 4.000 . 5.000 4.101 3.983 4.262 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR H 1 2 THR MG 4.000 . 5.000 2.837 2.141 3.988 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR HA 1 2 THR MG 3.000 . 3.500 2.606 2.314 3.286 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR HB 1 3 GLN H 4.000 . 5.000 3.939 1.868 4.536 . 0 0 "[ . 1 . 2]" 1
5 1 3 GLN H 1 3 GLN QG 4.000 . 5.000 3.004 1.990 4.211 . 0 0 "[ . 1 . 2]" 1
6 1 3 GLN H 1 4 GLY H 4.000 . 5.000 3.627 1.891 4.608 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLN HA 1 4 GLY QA 4.000 . 5.000 4.113 3.891 4.425 . 0 0 "[ . 1 . 2]" 1
8 1 3 GLN HB2 1 4 GLY H 4.000 . 6.000 3.812 2.018 4.614 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLN HB3 1 4 GLY H 4.000 . 6.000 4.042 2.673 4.541 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLN QG 1 4 GLY H 4.000 . 5.000 3.943 2.989 5.092 0.092 3 0 "[ . 1 . 2]" 1
11 1 5 GLU H 1 5 GLU HG2 4.000 . 5.000 3.131 1.993 4.071 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLU H 1 5 GLU HG3 4.000 . 5.000 3.000 2.131 3.811 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLU H 1 6 ARG H 4.000 . 5.000 3.560 2.344 4.566 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLU H 1 6 ARG HA 4.000 . 6.000 5.241 4.596 5.545 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLU H 1 6 ARG QG 4.000 . 6.000 3.923 3.126 5.617 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLU H 1 14 LEU MD2 4.000 . 6.000 5.203 3.849 5.776 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLU HA 1 6 ARG H 3.000 . 3.500 2.537 2.065 3.403 . 0 0 "[ . 1 . 2]" 1
18 1 5 GLU HA 1 6 ARG HA 4.000 . 5.000 4.501 4.422 4.645 . 0 0 "[ . 1 . 2]" 1
19 1 5 GLU HA 1 6 ARG QG 4.000 . 5.000 4.418 3.724 5.190 0.190 5 0 "[ . 1 . 2]" 1
20 1 5 GLU HA 1 14 LEU MD2 4.000 . 5.000 3.410 2.693 4.504 . 0 0 "[ . 1 . 2]" 1
21 1 5 GLU QB 1 6 ARG H 4.000 . 5.000 3.798 3.296 4.116 . 0 0 "[ . 1 . 2]" 1
22 1 5 GLU QB 1 14 LEU MD2 4.000 . 5.000 3.579 2.330 4.558 . 0 0 "[ . 1 . 2]" 1
23 1 5 GLU QB 1 14 LEU HG 4.000 . 5.000 3.190 2.239 4.329 . 0 0 "[ . 1 . 2]" 1
24 1 5 GLU HB2 1 6 ARG H 4.000 . 6.000 4.420 4.018 4.571 . 0 0 "[ . 1 . 2]" 1
25 1 5 GLU HB2 1 14 LEU MD2 4.000 . 5.000 4.481 3.577 5.204 0.204 9 0 "[ . 1 . 2]" 1
26 1 5 GLU HB2 1 14 LEU HG 4.000 . 6.000 3.800 2.941 4.726 . 0 0 "[ . 1 . 2]" 1
27 1 5 GLU HB3 1 6 ARG H 4.000 . 6.000 4.186 3.420 4.700 . 0 0 "[ . 1 . 2]" 1
28 1 5 GLU HB3 1 14 LEU MD2 4.000 . 5.000 3.920 2.350 5.221 0.221 18 0 "[ . 1 . 2]" 1
29 1 5 GLU HB3 1 14 LEU HG 4.000 . 6.000 3.739 2.266 5.397 . 0 0 "[ . 1 . 2]" 1
30 1 6 ARG H 1 6 ARG HB2 3.000 . 3.500 2.665 2.433 2.844 . 0 0 "[ . 1 . 2]" 1
31 1 6 ARG H 1 6 ARG QG 4.000 . 5.000 3.034 2.647 3.808 . 0 0 "[ . 1 . 2]" 1
32 1 6 ARG H 1 7 CYS H 4.000 . 5.000 4.379 4.254 4.586 . 0 0 "[ . 1 . 2]" 1
33 1 6 ARG H 1 7 CYS HA 4.000 . 6.000 5.065 4.864 5.481 . 0 0 "[ . 1 . 2]" 1
34 1 6 ARG H 1 13 ARG HA 4.000 . 6.000 4.693 4.454 5.192 . 0 0 "[ . 1 . 2]" 1
35 1 6 ARG H 1 14 LEU MD1 4.000 . 6.000 4.970 4.495 5.765 . 0 0 "[ . 1 . 2]" 1
36 1 6 ARG H 1 14 LEU HG 4.000 . 5.000 3.954 3.500 4.876 . 0 0 "[ . 1 . 2]" 1
37 1 6 ARG HA 1 7 CYS H 3.000 . 3.500 2.185 2.107 2.312 . 0 0 "[ . 1 . 2]" 1
38 1 6 ARG HA 1 7 CYS HB2 4.000 . 5.000 4.384 4.129 4.545 . 0 0 "[ . 1 . 2]" 1
39 1 6 ARG HA 1 13 ARG H 4.000 . 5.000 4.569 4.375 5.083 0.083 1 0 "[ . 1 . 2]" 1
40 1 6 ARG HA 1 13 ARG HA 3.000 . 3.500 2.098 1.829 2.669 . 0 0 "[ . 1 . 2]" 1
41 1 6 ARG HA 1 14 LEU H 3.000 . 3.500 2.355 1.842 2.961 . 0 0 "[ . 1 . 2]" 1
42 1 6 ARG HA 1 14 LEU HB2 4.000 . 5.000 5.020 4.780 5.152 0.152 9 0 "[ . 1 . 2]" 1
43 1 6 ARG HA 1 14 LEU HB3 4.000 . 5.000 3.519 3.153 3.681 . 0 0 "[ . 1 . 2]" 1
44 1 6 ARG HA 1 14 LEU MD1 4.000 . 5.000 4.769 4.390 5.006 0.006 14 0 "[ . 1 . 2]" 1
45 1 6 ARG HA 1 14 LEU MD2 4.000 . 5.000 3.313 2.993 3.479 . 0 0 "[ . 1 . 2]" 1
46 1 6 ARG HB2 1 7 CYS H 4.000 . 5.000 4.127 3.882 4.224 . 0 0 "[ . 1 . 2]" 1
47 1 6 ARG HB2 1 11 GLY HA2 4.000 . 5.000 4.775 4.039 5.127 0.127 7 0 "[ . 1 . 2]" 1
48 1 6 ARG HB3 1 7 CYS H 3.000 . 3.500 3.147 2.690 3.317 . 0 0 "[ . 1 . 2]" 1
49 1 6 ARG HB3 1 7 CYS HA 4.000 . 6.000 4.989 4.641 5.194 . 0 0 "[ . 1 . 2]" 1
50 1 6 ARG HB3 1 11 GLY HA2 4.000 . 5.000 3.834 3.265 4.439 . 0 0 "[ . 1 . 2]" 1
51 1 6 ARG HB3 1 12 GLU H 4.000 . 5.000 4.111 3.225 4.848 . 0 0 "[ . 1 . 2]" 1
52 1 6 ARG HB3 1 13 ARG HA 4.000 . 5.000 3.367 2.847 3.731 . 0 0 "[ . 1 . 2]" 1
53 1 6 ARG QD 1 13 ARG HA 4.000 . 5.000 4.086 3.326 4.530 . 0 0 "[ . 1 . 2]" 1
54 1 6 ARG HD2 1 13 ARG HA 4.000 . 6.000 4.817 3.804 5.570 . 0 0 "[ . 1 . 2]" 1
55 1 6 ARG HD3 1 13 ARG HA 4.000 . 6.000 4.521 3.670 5.307 . 0 0 "[ . 1 . 2]" 1
56 1 6 ARG QG 1 7 CYS H 4.000 . 5.000 4.116 3.794 4.320 . 0 0 "[ . 1 . 2]" 1
57 1 6 ARG QG 1 13 ARG H 4.000 . 5.000 3.828 3.393 4.726 . 0 0 "[ . 1 . 2]" 1
58 1 6 ARG QG 1 13 ARG HA 4.000 . 5.000 2.195 1.782 2.578 0.018 16 0 "[ . 1 . 2]" 1
59 1 6 ARG QG 1 13 ARG QB 4.000 . 5.000 3.198 2.637 4.091 . 0 0 "[ . 1 . 2]" 1
60 1 6 ARG QG 1 13 ARG QD 4.000 . 5.000 3.949 1.729 5.006 0.071 6 0 "[ . 1 . 2]" 1
61 1 6 ARG QG 1 13 ARG QG 3.000 . 3.500 3.229 2.008 3.766 0.266 12 0 "[ . 1 . 2]" 1
62 1 6 ARG QG 1 14 LEU H 4.000 . 5.000 3.802 3.330 4.080 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS H 1 7 CYS HB2 2.000 . 2.700 2.350 2.155 2.431 . 0 0 "[ . 1 . 2]" 1
64 1 7 CYS H 1 11 GLY H 4.000 . 5.000 4.843 4.499 5.092 0.092 8 0 "[ . 1 . 2]" 1
65 1 7 CYS H 1 12 GLU H 4.000 . 5.000 4.057 3.400 4.718 . 0 0 "[ . 1 . 2]" 1
66 1 7 CYS H 1 13 ARG HA 4.000 . 5.000 3.406 3.009 3.762 . 0 0 "[ . 1 . 2]" 1
67 1 7 CYS H 1 14 LEU H 4.000 . 5.000 3.252 2.721 3.851 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS H 1 14 LEU HA 4.000 . 5.000 4.056 3.522 4.497 . 0 0 "[ . 1 . 2]" 1
69 1 7 CYS H 1 14 LEU HB2 4.000 . 5.000 4.259 3.949 4.445 . 0 0 "[ . 1 . 2]" 1
70 1 7 CYS H 1 14 LEU HB3 4.000 . 6.000 2.529 2.277 2.712 . 0 0 "[ . 1 . 2]" 1
71 1 7 CYS H 1 14 LEU MD1 4.000 . 5.000 4.989 4.821 5.083 0.083 7 0 "[ . 1 . 2]" 1
72 1 7 CYS H 1 14 LEU MD2 4.000 . 5.000 2.993 2.737 3.453 . 0 0 "[ . 1 . 2]" 1
73 1 7 CYS H 1 26 CYS QB 4.000 . 5.000 3.926 3.649 4.306 . 0 0 "[ . 1 . 2]" 1
74 1 7 CYS HA 1 8 ALA HA 4.000 . 5.000 4.466 4.413 4.525 . 0 0 "[ . 1 . 2]" 1
75 1 7 CYS HA 1 9 VAL H 4.000 . 5.000 3.757 3.587 3.938 . 0 0 "[ . 1 . 2]" 1
76 1 7 CYS HA 1 10 HIS H 4.000 . 5.000 4.924 4.797 5.028 0.028 13 0 "[ . 1 . 2]" 1
77 1 7 CYS HA 1 14 LEU MD2 3.000 . 3.500 2.567 2.170 3.014 . 0 0 "[ . 1 . 2]" 1
78 1 7 CYS HA 1 14 LEU HG 4.000 . 6.000 4.888 4.464 5.238 . 0 0 "[ . 1 . 2]" 1
79 1 7 CYS HB2 1 12 GLU H 4.000 . 5.000 4.789 4.045 5.128 0.128 4 0 "[ . 1 . 2]" 1
80 1 7 CYS HB2 1 14 LEU HA 4.000 . 5.000 3.663 3.051 4.253 . 0 0 "[ . 1 . 2]" 1
81 1 7 CYS HB2 1 26 CYS H 4.000 . 5.000 4.432 4.076 4.762 . 0 0 "[ . 1 . 2]" 1
82 1 7 CYS HB2 1 26 CYS HB2 4.000 . 5.000 3.439 3.125 4.045 . 0 0 "[ . 1 . 2]" 1
83 1 7 CYS HB2 1 26 CYS HB3 4.000 . 5.000 2.171 1.882 2.653 . 0 0 "[ . 1 . 2]" 1
84 1 7 CYS HB3 1 9 VAL H 4.000 . 5.000 4.060 3.902 4.308 . 0 0 "[ . 1 . 2]" 1
85 1 7 CYS HB3 1 9 VAL MG2 4.000 . 5.000 4.820 4.448 5.048 0.048 7 0 "[ . 1 . 2]" 1
86 1 7 CYS HB3 1 10 HIS H 4.000 . 5.000 3.295 3.194 3.389 . 0 0 "[ . 1 . 2]" 1
87 1 7 CYS HB3 1 10 HIS HB2 4.000 . 5.000 3.675 3.539 3.766 . 0 0 "[ . 1 . 2]" 1
88 1 7 CYS HB3 1 10 HIS HB3 4.000 . 5.000 5.167 5.063 5.255 0.255 2 0 "[ . 1 . 2]" 1
89 1 7 CYS HB3 1 11 GLY H 3.000 . 3.500 3.631 3.536 3.717 0.217 16 0 "[ . 1 . 2]" 1
90 1 7 CYS HB3 1 12 GLU H 4.000 . 5.000 3.491 3.184 3.883 . 0 0 "[ . 1 . 2]" 1
91 1 8 ALA H 1 9 VAL H 4.000 . 6.000 2.724 2.602 2.899 . 0 0 "[ . 1 . 2]" 1
92 1 8 ALA H 1 11 GLY H 4.000 . 6.000 4.844 4.672 4.999 . 0 0 "[ . 1 . 2]" 1
93 1 8 ALA HA 1 9 VAL HA 4.000 . 5.000 4.872 4.801 4.969 . 0 0 "[ . 1 . 2]" 1
94 1 8 ALA HA 1 10 HIS H 4.000 . 5.000 4.270 4.055 4.540 . 0 0 "[ . 1 . 2]" 1
95 1 8 ALA HA 1 11 GLY H 4.000 . 5.000 3.561 3.290 3.960 . 0 0 "[ . 1 . 2]" 1
96 1 8 ALA HA 1 11 GLY HA2 4.000 . 5.000 3.307 2.844 3.893 . 0 0 "[ . 1 . 2]" 1
97 1 8 ALA MB 1 9 VAL H 3.000 . 3.500 3.000 2.760 3.212 . 0 0 "[ . 1 . 2]" 1
98 1 8 ALA MB 1 9 VAL HA 4.000 . 5.000 4.020 3.886 4.188 . 0 0 "[ . 1 . 2]" 1
99 1 8 ALA MB 1 9 VAL MG2 4.000 . 5.000 3.484 3.239 3.776 . 0 0 "[ . 1 . 2]" 1
100 1 8 ALA MB 1 11 GLY H 4.000 . 6.000 4.831 4.595 5.098 . 0 0 "[ . 1 . 2]" 1
101 1 9 VAL H 1 9 VAL HB 3.000 . 3.500 2.599 2.477 2.720 . 0 0 "[ . 1 . 2]" 1
102 1 9 VAL H 1 9 VAL MG1 4.000 . 5.000 3.810 3.781 3.833 . 0 0 "[ . 1 . 2]" 1
103 1 9 VAL H 1 9 VAL MG2 3.000 . 3.500 2.006 1.866 2.217 . 0 0 "[ . 1 . 2]" 1
104 1 9 VAL H 1 10 HIS H 3.000 . 3.500 2.723 2.561 2.906 . 0 0 "[ . 1 . 2]" 1
105 1 9 VAL H 1 10 HIS HB2 4.000 . 6.000 5.541 5.334 5.687 . 0 0 "[ . 1 . 2]" 1
106 1 9 VAL H 1 11 GLY H 4.000 . 5.000 3.904 3.627 4.100 . 0 0 "[ . 1 . 2]" 1
107 1 9 VAL HA 1 9 VAL MG1 3.000 . 3.500 2.453 2.379 2.509 . 0 0 "[ . 1 . 2]" 1
108 1 9 VAL HA 1 9 VAL MG2 3.000 . 3.500 2.484 2.424 2.569 . 0 0 "[ . 1 . 2]" 1
109 1 9 VAL HA 1 11 GLY H 4.000 . 5.000 4.904 4.615 5.056 0.056 19 0 "[ . 1 . 2]" 1
110 1 9 VAL HB 1 10 HIS H 3.000 . 3.500 2.673 2.426 2.895 . 0 0 "[ . 1 . 2]" 1
111 1 9 VAL HB 1 10 HIS HE1 4.000 . 5.000 3.110 2.741 4.404 . 0 0 "[ . 1 . 2]" 1
112 1 9 VAL HB 1 11 GLY H 4.000 . 5.000 4.694 4.497 4.851 . 0 0 "[ . 1 . 2]" 1
113 1 9 VAL MG1 1 10 HIS H 4.000 . 5.000 3.590 3.379 3.807 . 0 0 "[ . 1 . 2]" 1
114 1 9 VAL MG1 1 10 HIS HE1 4.000 . 5.000 2.881 2.603 4.153 . 0 0 "[ . 1 . 2]" 1
115 1 9 VAL MG2 1 10 HIS H 4.000 . 5.000 3.834 3.674 3.974 . 0 0 "[ . 1 . 2]" 1
116 1 9 VAL MG2 1 10 HIS HE1 4.000 . 5.000 4.007 3.517 5.098 0.098 13 0 "[ . 1 . 2]" 1
117 1 10 HIS H 1 10 HIS HB2 3.000 . 3.500 2.945 2.866 3.063 . 0 0 "[ . 1 . 2]" 1
118 1 10 HIS H 1 10 HIS HB3 4.000 . 5.000 3.745 3.675 3.791 . 0 0 "[ . 1 . 2]" 1
119 1 10 HIS H 1 10 HIS HE1 4.000 . 6.000 4.649 4.358 5.550 . 0 0 "[ . 1 . 2]" 1
120 1 10 HIS H 1 11 GLY H 3.000 . 3.500 2.060 1.954 2.166 . 0 0 "[ . 1 . 2]" 1
121 1 10 HIS H 1 11 GLY HA2 4.000 . 5.000 4.327 4.236 4.444 . 0 0 "[ . 1 . 2]" 1
122 1 10 HIS H 1 11 GLY HA3 4.000 . 6.000 4.809 4.732 4.926 . 0 0 "[ . 1 . 2]" 1
123 1 10 HIS H 1 12 GLU H 4.000 . 5.000 3.787 3.540 4.042 . 0 0 "[ . 1 . 2]" 1
124 1 10 HIS HB2 1 11 GLY H 4.000 . 5.000 2.831 2.759 3.011 . 0 0 "[ . 1 . 2]" 1
125 1 10 HIS HB2 1 12 GLU H 3.000 . 3.500 2.570 1.847 3.391 . 0 0 "[ . 1 . 2]" 1
126 1 10 HIS HB2 1 12 GLU QB 4.000 . 5.000 3.290 2.680 4.110 . 0 0 "[ . 1 . 2]" 1
127 1 10 HIS HB2 1 12 GLU HG2 4.000 . 6.000 2.404 1.795 3.555 0.005 8 0 "[ . 1 . 2]" 1
128 1 10 HIS HB2 1 12 GLU QG 4.000 . 5.000 2.011 1.775 2.376 0.025 12 0 "[ . 1 . 2]" 1
129 1 10 HIS HB2 1 12 GLU HG3 4.000 . 6.000 3.200 1.786 4.135 0.014 12 0 "[ . 1 . 2]" 1
130 1 10 HIS HB3 1 11 GLY H 4.000 . 5.000 4.071 4.025 4.188 . 0 0 "[ . 1 . 2]" 1
131 1 10 HIS HB3 1 12 GLU H 4.000 . 5.000 4.187 3.448 5.042 0.042 1 0 "[ . 1 . 2]" 1
132 1 10 HIS HB3 1 12 GLU QB 4.000 . 5.000 4.242 3.577 4.992 . 0 0 "[ . 1 . 2]" 1
133 1 10 HIS HB3 1 12 GLU HG2 4.000 . 6.000 3.649 2.956 4.297 . 0 0 "[ . 1 . 2]" 1
134 1 10 HIS HB3 1 12 GLU QG 4.000 . 5.000 3.350 2.869 3.816 . 0 0 "[ . 1 . 2]" 1
135 1 10 HIS HB3 1 12 GLU HG3 4.000 . 6.000 4.609 3.009 5.611 . 0 0 "[ . 1 . 2]" 1
136 1 10 HIS HE1 1 28 VAL HB 4.000 . 5.000 4.436 2.821 5.030 0.030 14 0 "[ . 1 . 2]" 1
137 1 10 HIS HE1 1 28 VAL MG1 4.000 . 5.000 3.636 2.374 4.324 . 0 0 "[ . 1 . 2]" 1
138 1 11 GLY H 1 11 GLY HA2 3.000 . 3.500 2.357 2.338 2.384 . 0 0 "[ . 1 . 2]" 1
139 1 11 GLY H 1 12 GLU H 3.000 . 3.500 2.338 2.177 2.531 . 0 0 "[ . 1 . 2]" 1
140 1 11 GLY H 1 12 GLU QG 4.000 . 5.000 3.622 3.302 4.460 . 0 0 "[ . 1 . 2]" 1
141 1 12 GLU H 1 12 GLU HB2 4.000 . 5.000 3.684 2.526 3.936 . 0 0 "[ . 1 . 2]" 1
142 1 12 GLU H 1 12 GLU QB 3.000 . 3.500 2.861 2.481 3.257 . 0 0 "[ . 1 . 2]" 1
143 1 12 GLU H 1 12 GLU HB3 4.000 . 5.000 3.040 2.529 3.630 . 0 0 "[ . 1 . 2]" 1
144 1 12 GLU H 1 12 GLU HG2 4.000 . 5.000 2.760 2.050 4.008 . 0 0 "[ . 1 . 2]" 1
145 1 12 GLU H 1 12 GLU QG 3.000 . 3.500 2.235 2.024 2.418 . 0 0 "[ . 1 . 2]" 1
146 1 12 GLU H 1 12 GLU HG3 4.000 . 5.000 2.856 2.149 3.746 . 0 0 "[ . 1 . 2]" 1
147 1 12 GLU H 1 13 ARG H 4.000 . 5.000 4.531 4.375 4.665 . 0 0 "[ . 1 . 2]" 1
148 1 12 GLU HA 1 13 ARG H 3.000 . 3.500 2.400 2.273 2.556 . 0 0 "[ . 1 . 2]" 1
149 1 12 GLU QB 1 13 ARG H 3.000 . 3.500 2.525 2.192 2.841 . 0 0 "[ . 1 . 2]" 1
150 1 12 GLU HB2 1 13 ARG H 4.000 . 5.000 2.614 2.209 3.947 . 0 0 "[ . 1 . 2]" 1
151 1 12 GLU HB3 1 13 ARG H 4.000 . 5.000 3.781 2.913 4.053 . 0 0 "[ . 1 . 2]" 1
152 1 12 GLU QG 1 13 ARG H 4.000 . 5.000 3.850 3.237 4.587 . 0 0 "[ . 1 . 2]" 1
153 1 12 GLU QG 1 28 VAL MG2 4.000 . 5.000 3.753 2.592 4.336 . 0 0 "[ . 1 . 2]" 1
154 1 12 GLU HG2 1 13 ARG H 4.000 . 6.000 4.820 4.507 5.141 . 0 0 "[ . 1 . 2]" 1
155 1 12 GLU HG3 1 13 ARG H 4.000 . 6.000 4.111 3.318 5.173 . 0 0 "[ . 1 . 2]" 1
156 1 13 ARG H 1 13 ARG QB 3.000 . 3.500 2.267 2.173 2.424 . 0 0 "[ . 1 . 2]" 1
157 1 13 ARG H 1 13 ARG QD 4.000 . 5.000 4.436 2.619 4.860 . 0 0 "[ . 1 . 2]" 1
158 1 13 ARG H 1 13 ARG QG 4.000 . 5.000 3.848 2.473 4.109 . 0 0 "[ . 1 . 2]" 1
159 1 13 ARG H 1 14 LEU H 4.000 . 5.000 4.593 4.506 4.688 . 0 0 "[ . 1 . 2]" 1
160 1 13 ARG HA 1 13 ARG QD 4.000 . 5.000 3.773 2.118 4.289 . 0 0 "[ . 1 . 2]" 1
161 1 13 ARG HA 1 14 LEU H 2.000 . 2.700 2.273 2.134 2.562 . 0 0 "[ . 1 . 2]" 1
162 1 13 ARG HA 1 14 LEU HA 4.000 . 6.000 4.457 4.339 4.608 . 0 0 "[ . 1 . 2]" 1
163 1 13 ARG QD 1 14 LEU H 4.000 . 5.000 4.464 2.698 5.073 0.073 15 0 "[ . 1 . 2]" 1
164 1 13 ARG QG 1 14 LEU H 3.000 . 3.500 2.829 1.962 3.729 0.229 13 0 "[ . 1 . 2]" 1
165 1 14 LEU H 1 14 LEU HB2 4.000 . 5.000 3.759 3.608 4.002 . 0 0 "[ . 1 . 2]" 1
166 1 14 LEU H 1 14 LEU HB3 3.000 . 3.500 2.887 2.640 3.372 . 0 0 "[ . 1 . 2]" 1
167 1 14 LEU H 1 14 LEU MD2 4.000 . 5.000 3.595 3.241 4.188 . 0 0 "[ . 1 . 2]" 1
168 1 14 LEU H 1 14 LEU HG 3.000 . 3.500 2.377 2.082 2.789 . 0 0 "[ . 1 . 2]" 1
169 1 14 LEU H 1 15 HIS HB2 4.000 . 6.000 5.931 5.366 6.171 0.171 16 0 "[ . 1 . 2]" 1
170 1 14 LEU H 1 26 CYS QB 4.000 . 6.000 4.510 4.275 4.744 . 0 0 "[ . 1 . 2]" 1
171 1 14 LEU HA 1 14 LEU MD1 4.000 . 5.000 3.721 3.659 3.765 . 0 0 "[ . 1 . 2]" 1
172 1 14 LEU HA 1 15 HIS H 3.000 . 3.500 2.201 2.134 2.248 . 0 0 "[ . 1 . 2]" 1
173 1 14 LEU HA 1 15 HIS HA 4.000 . 5.000 4.460 4.414 4.491 . 0 0 "[ . 1 . 2]" 1
174 1 14 LEU HA 1 15 HIS HB2 4.000 . 5.000 4.558 4.226 4.665 . 0 0 "[ . 1 . 2]" 1
175 1 14 LEU HA 1 26 CYS H 4.000 . 6.000 4.927 4.432 5.616 . 0 0 "[ . 1 . 2]" 1
176 1 14 LEU HA 1 26 CYS HA 4.000 . 5.000 2.744 2.458 3.178 . 0 0 "[ . 1 . 2]" 1
177 1 14 LEU HA 1 26 CYS QB 4.000 . 5.000 2.309 2.081 2.632 . 0 0 "[ . 1 . 2]" 1
178 1 14 LEU HA 1 27 TRP H 4.000 . 6.000 3.911 3.622 4.417 . 0 0 "[ . 1 . 2]" 1
179 1 14 LEU HB2 1 15 HIS H 4.000 . 5.000 3.243 2.950 3.472 . 0 0 "[ . 1 . 2]" 1
180 1 14 LEU HB2 1 24 ALA MB 4.000 . 5.000 4.569 4.261 4.969 . 0 0 "[ . 1 . 2]" 1
181 1 14 LEU HB2 1 25 LEU H 4.000 . 6.000 5.055 4.682 5.388 . 0 0 "[ . 1 . 2]" 1
182 1 14 LEU HB2 1 26 CYS HA 4.000 . 5.000 2.636 2.133 3.193 . 0 0 "[ . 1 . 2]" 1
183 1 14 LEU HB3 1 15 HIS H 4.000 . 5.000 4.244 4.057 4.419 . 0 0 "[ . 1 . 2]" 1
184 1 14 LEU HB3 1 26 CYS H 4.000 . 6.000 4.600 4.270 4.925 . 0 0 "[ . 1 . 2]" 1
185 1 14 LEU HB3 1 26 CYS HA 4.000 . 5.000 3.869 3.467 4.367 . 0 0 "[ . 1 . 2]" 1
186 1 14 LEU MD1 1 15 HIS H 4.000 . 5.000 3.699 3.536 3.843 . 0 0 "[ . 1 . 2]" 1
187 1 14 LEU MD1 1 15 HIS HA 4.000 . 5.000 2.830 2.588 3.001 . 0 0 "[ . 1 . 2]" 1
188 1 14 LEU MD1 1 15 HIS HB2 4.000 . 5.000 5.059 4.876 5.180 0.180 13 0 "[ . 1 . 2]" 1
189 1 14 LEU MD1 1 16 LEU H 4.000 . 5.000 2.972 2.714 3.362 . 0 0 "[ . 1 . 2]" 1
190 1 14 LEU MD1 1 24 ALA H 4.000 . 5.000 4.664 4.412 5.028 0.028 20 0 "[ . 1 . 2]" 1
191 1 14 LEU MD1 1 24 ALA MB 3.000 . 3.500 2.092 1.869 2.368 . 0 0 "[ . 1 . 2]" 1
192 1 14 LEU MD1 1 25 LEU HA 4.000 . 5.000 3.834 3.522 4.233 . 0 0 "[ . 1 . 2]" 1
193 1 14 LEU MD1 1 26 CYS H 4.000 . 5.000 4.737 4.435 5.022 0.022 2 0 "[ . 1 . 2]" 1
194 1 14 LEU MD2 1 15 HIS H 4.000 . 6.000 5.246 5.032 5.374 . 0 0 "[ . 1 . 2]" 1
195 1 14 LEU MD2 1 24 ALA H 4.000 . 6.000 5.054 4.610 5.515 . 0 0 "[ . 1 . 2]" 1
196 1 14 LEU MD2 1 24 ALA MB 4.000 . 5.000 3.190 2.704 3.504 . 0 0 "[ . 1 . 2]" 1
197 1 14 LEU MD2 1 26 CYS H 4.000 . 5.000 4.602 3.938 5.049 0.049 15 0 "[ . 1 . 2]" 1
198 1 14 LEU HG 1 15 HIS HA 4.000 . 5.000 4.970 4.594 5.098 0.098 5 0 "[ . 1 . 2]" 1
199 1 14 LEU HG 1 24 ALA MB 4.000 . 5.000 4.426 4.120 4.733 . 0 0 "[ . 1 . 2]" 1
200 1 15 HIS H 1 15 HIS HB2 4.000 . 5.000 2.798 2.725 2.889 . 0 0 "[ . 1 . 2]" 1
201 1 15 HIS H 1 16 LEU H 4.000 . 5.000 3.554 3.433 3.652 . 0 0 "[ . 1 . 2]" 1
202 1 15 HIS H 1 16 LEU HA 4.000 . 6.000 5.189 5.064 5.253 . 0 0 "[ . 1 . 2]" 1
203 1 15 HIS H 1 16 LEU HB3 4.000 . 5.000 4.684 4.483 4.958 . 0 0 "[ . 1 . 2]" 1
204 1 15 HIS H 1 16 LEU QD 4.000 . 6.000 5.266 5.094 5.406 . 0 0 "[ . 1 . 2]" 1
205 1 15 HIS H 1 26 CYS HA 4.000 . 5.000 2.234 1.899 2.821 . 0 0 "[ . 1 . 2]" 1
206 1 15 HIS H 1 26 CYS HB2 4.000 . 5.000 3.356 2.530 3.796 . 0 0 "[ . 1 . 2]" 1
207 1 15 HIS H 1 26 CYS QB 4.000 . 5.000 3.207 2.475 3.646 . 0 0 "[ . 1 . 2]" 1
208 1 15 HIS H 1 26 CYS HB3 4.000 . 5.000 4.092 3.508 4.714 . 0 0 "[ . 1 . 2]" 1
209 1 15 HIS H 1 27 TRP H 4.000 . 6.000 3.101 2.742 3.403 . 0 0 "[ . 1 . 2]" 1
210 1 15 HIS H 1 43 LEU MD1 4.000 . 6.000 4.580 4.118 5.601 . 0 0 "[ . 1 . 2]" 1
211 1 15 HIS HA 1 43 LEU H 4.000 . 5.000 3.802 3.163 4.421 . 0 0 "[ . 1 . 2]" 1
212 1 15 HIS HB2 1 16 LEU H 4.000 . 6.000 4.558 4.490 4.670 . 0 0 "[ . 1 . 2]" 1
213 1 15 HIS HB2 1 27 TRP H 4.000 . 5.000 4.733 4.221 5.099 0.099 11 0 "[ . 1 . 2]" 1
214 1 15 HIS HB2 1 43 LEU H 4.000 . 6.000 4.723 4.022 5.643 . 0 0 "[ . 1 . 2]" 1
215 1 15 HIS HB3 1 16 LEU H 4.000 . 6.000 4.044 3.973 4.175 . 0 0 "[ . 1 . 2]" 1
216 1 15 HIS HB3 1 27 TRP H 4.000 . 6.000 5.796 4.307 6.091 0.091 20 0 "[ . 1 . 2]" 1
217 1 15 HIS HB3 1 42 PRO HB2 4.000 . 6.000 4.645 3.628 5.416 . 0 0 "[ . 1 . 2]" 1
218 1 15 HIS HB3 1 43 LEU H 4.000 . 6.000 3.188 2.417 4.078 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU H 1 16 LEU HB3 3.000 . 3.500 3.211 3.137 3.269 . 0 0 "[ . 1 . 2]" 1
220 1 16 LEU H 1 16 LEU MD1 4.000 . 5.000 4.460 4.359 4.832 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU H 1 16 LEU QD 4.000 . 5.000 3.949 3.904 4.231 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU H 1 16 LEU MD2 4.000 . 5.000 4.408 4.351 4.674 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU H 1 17 PHE H 4.000 . 5.000 4.141 3.751 4.280 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU H 1 17 PHE HA 4.000 . 6.000 4.586 4.379 4.743 . 0 0 "[ . 1 . 2]" 1
225 1 16 LEU H 1 17 PHE HB2 4.000 . 5.000 4.692 4.468 5.016 0.016 16 0 "[ . 1 . 2]" 1
226 1 16 LEU H 1 24 ALA MB 4.000 . 5.000 3.917 3.520 4.201 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU H 1 25 LEU H 4.000 . 5.000 3.927 3.653 4.330 . 0 0 "[ . 1 . 2]" 1
228 1 16 LEU H 1 25 LEU HA 4.000 . 6.000 5.408 5.220 5.758 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU H 1 42 PRO HA 4.000 . 6.000 4.780 4.094 5.272 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU H 1 43 LEU H 4.000 . 5.000 3.615 3.143 4.044 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU H 1 43 LEU HB2 3.000 . 3.500 3.089 2.032 3.597 0.097 1 0 "[ . 1 . 2]" 1
232 1 16 LEU H 1 43 LEU HB3 4.000 . 6.000 4.476 3.458 4.830 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU H 1 43 LEU MD1 4.000 . 5.000 2.231 1.809 2.766 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU HA 1 16 LEU QD 3.000 . 3.500 2.099 2.010 2.743 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU HA 1 17 PHE H 3.000 . 3.500 2.325 2.245 2.395 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU HA 1 17 PHE HB2 4.000 . 5.000 4.552 4.392 4.850 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU HA 1 42 PRO HA 3.000 . 3.500 2.315 1.688 2.809 0.112 1 0 "[ . 1 . 2]" 1
238 1 16 LEU HA 1 43 LEU H 3.000 . 3.500 2.536 1.800 3.281 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU HB2 1 17 PHE H 4.000 . 6.000 4.263 3.959 4.580 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU HB2 1 25 LEU H 4.000 . 5.000 4.814 4.525 5.042 0.042 19 0 "[ . 1 . 2]" 1
241 1 16 LEU HB2 1 25 LEU HB2 4.000 . 5.000 3.880 3.534 4.376 . 0 0 "[ . 1 . 2]" 1
242 1 16 LEU HB2 1 25 LEU MD1 4.000 . 6.000 5.319 5.012 5.779 . 0 0 "[ . 1 . 2]" 1
243 1 16 LEU HB2 1 26 CYS HA 4.000 . 5.000 3.332 2.980 3.744 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU HB2 1 30 ALA MB 4.000 . 5.000 3.410 3.101 3.739 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU HB3 1 17 PHE H 4.000 . 5.000 3.893 3.652 4.399 . 0 0 "[ . 1 . 2]" 1
246 1 16 LEU HB3 1 25 LEU H 4.000 . 5.000 3.168 2.811 3.428 . 0 0 "[ . 1 . 2]" 1
247 1 16 LEU HB3 1 25 LEU HB2 4.000 . 5.000 2.274 1.986 2.721 . 0 0 "[ . 1 . 2]" 1
248 1 16 LEU HB3 1 25 LEU HG 4.000 . 5.000 4.460 4.032 4.992 . 0 0 "[ . 1 . 2]" 1
249 1 16 LEU HB3 1 26 CYS H 4.000 . 6.000 3.766 3.584 3.978 . 0 0 "[ . 1 . 2]" 1
250 1 16 LEU HB3 1 26 CYS HA 4.000 . 5.000 3.429 3.116 3.796 . 0 0 "[ . 1 . 2]" 1
251 1 16 LEU HB3 1 27 TRP H 4.000 . 6.000 4.624 4.032 5.241 . 0 0 "[ . 1 . 2]" 1
252 1 16 LEU HB3 1 40 MET ME 4.000 . 5.000 4.852 4.366 5.164 0.164 11 0 "[ . 1 . 2]" 1
253 1 16 LEU HB3 1 43 LEU MD1 4.000 . 5.000 4.827 4.371 5.052 0.052 14 0 "[ . 1 . 2]" 1
254 1 16 LEU QD 1 17 PHE H 4.000 . 5.000 2.064 1.819 2.876 . 0 0 "[ . 1 . 2]" 1
255 1 16 LEU QD 1 17 PHE HA 3.000 . 3.500 3.188 2.987 3.724 0.224 14 0 "[ . 1 . 2]" 1
256 1 16 LEU QD 1 18 CYS H 4.000 . 5.000 3.061 2.709 3.383 . 0 0 "[ . 1 . 2]" 1
257 1 16 LEU QD 1 18 CYS HA 4.000 . 5.000 3.162 2.856 3.508 . 0 0 "[ . 1 . 2]" 1
258 1 16 LEU QD 1 25 LEU H 4.000 . 5.000 3.183 2.922 3.476 . 0 0 "[ . 1 . 2]" 1
259 1 16 LEU QD 1 25 LEU HB2 4.000 . 5.000 1.957 1.754 2.342 0.046 15 0 "[ . 1 . 2]" 1
260 1 16 LEU QD 1 25 LEU MD1 4.000 . 5.000 2.354 1.927 2.800 . 0 0 "[ . 1 . 2]" 1
261 1 16 LEU QD 1 25 LEU HG 4.000 . 5.000 3.221 2.786 3.605 . 0 0 "[ . 1 . 2]" 1
262 1 16 LEU QD 1 27 TRP HA 4.000 . 5.000 3.606 2.563 4.203 . 0 0 "[ . 1 . 2]" 1
263 1 16 LEU QD 1 30 ALA MB 3.000 . 3.500 2.432 1.837 2.677 . 0 0 "[ . 1 . 2]" 1
264 1 16 LEU QD 1 40 MET H 4.000 . 6.000 4.716 4.456 5.058 . 0 0 "[ . 1 . 2]" 1
265 1 16 LEU QD 1 40 MET QB 4.000 . 5.000 1.855 1.748 2.120 0.052 17 0 "[ . 1 . 2]" 1
266 1 16 LEU QD 1 40 MET ME 4.000 . 5.000 2.119 1.751 2.564 0.049 5 0 "[ . 1 . 2]" 1
267 1 16 LEU QD 1 40 MET QG 4.000 . 5.000 2.926 2.592 3.418 . 0 0 "[ . 1 . 2]" 1
268 1 16 LEU QD 1 41 VAL H 4.000 . 5.000 3.311 2.816 3.849 . 0 0 "[ . 1 . 2]" 1
269 1 16 LEU QD 1 41 VAL HA 4.000 . 5.000 3.763 3.321 4.114 . 0 0 "[ . 1 . 2]" 1
270 1 16 LEU QD 1 41 VAL MG2 4.000 . 5.000 3.881 3.620 4.356 . 0 0 "[ . 1 . 2]" 1
271 1 16 LEU QD 1 42 PRO HA 3.000 . 3.500 2.353 1.856 2.869 . 0 0 "[ . 1 . 2]" 1
272 1 16 LEU QD 1 42 PRO QD 4.000 . 5.000 3.515 2.791 3.948 . 0 0 "[ . 1 . 2]" 1
273 1 16 LEU QD 1 43 LEU H 4.000 . 5.000 3.713 3.015 4.293 . 0 0 "[ . 1 . 2]" 1
274 1 16 LEU MD1 1 17 PHE H 4.000 . 5.000 2.316 1.863 3.236 . 0 0 "[ . 1 . 2]" 1
275 1 16 LEU MD1 1 25 LEU MD1 4.000 . 5.000 2.465 1.929 4.658 . 0 0 "[ . 1 . 2]" 1
276 1 16 LEU MD1 1 30 ALA H 4.000 . 6.000 4.724 3.903 5.210 . 0 0 "[ . 1 . 2]" 1
277 1 16 LEU MD1 1 40 MET ME 4.000 . 5.000 2.228 1.804 3.814 . 0 0 "[ . 1 . 2]" 1
278 1 16 LEU MD1 1 41 VAL H 4.000 . 6.000 3.738 2.962 4.247 . 0 0 "[ . 1 . 2]" 1
279 1 16 LEU MD2 1 17 PHE H 4.000 . 5.000 2.406 1.934 3.221 . 0 0 "[ . 1 . 2]" 1
280 1 16 LEU MD2 1 25 LEU MD1 4.000 . 5.000 4.635 2.570 5.044 0.044 8 0 "[ . 1 . 2]" 1
281 1 16 LEU MD2 1 30 ALA H 4.000 . 6.000 5.279 3.805 5.804 . 0 0 "[ . 1 . 2]" 1
282 1 16 LEU MD2 1 40 MET ME 4.000 . 5.000 3.315 2.202 4.251 . 0 0 "[ . 1 . 2]" 1
283 1 16 LEU MD2 1 41 VAL H 4.000 . 6.000 3.756 3.004 4.530 . 0 0 "[ . 1 . 2]" 1
284 1 17 PHE H 1 17 PHE HB2 3.000 . 3.500 3.180 2.815 3.341 . 0 0 "[ . 1 . 2]" 1
285 1 17 PHE H 1 17 PHE HB3 3.000 . 3.500 2.807 2.597 3.025 . 0 0 "[ . 1 . 2]" 1
286 1 17 PHE H 1 17 PHE QD 4.000 . 5.000 4.420 4.320 4.498 . 0 0 "[ . 1 . 2]" 1
287 1 17 PHE H 1 18 CYS H 4.000 . 5.000 4.076 3.909 4.319 . 0 0 "[ . 1 . 2]" 1
288 1 17 PHE H 1 18 CYS HA 4.000 . 6.000 4.694 4.488 5.124 . 0 0 "[ . 1 . 2]" 1
289 1 17 PHE H 1 40 MET HA 4.000 . 5.000 4.686 4.094 5.188 0.188 13 0 "[ . 1 . 2]" 1
290 1 17 PHE H 1 41 VAL H 4.000 . 5.000 3.512 2.895 4.039 . 0 0 "[ . 1 . 2]" 1
291 1 17 PHE H 1 41 VAL MG2 4.000 . 5.000 3.457 3.160 3.831 . 0 0 "[ . 1 . 2]" 1
292 1 17 PHE H 1 42 PRO HA 4.000 . 5.000 3.461 2.919 3.934 . 0 0 "[ . 1 . 2]" 1
293 1 17 PHE H 1 43 LEU H 4.000 . 5.000 3.900 3.127 4.653 . 0 0 "[ . 1 . 2]" 1
294 1 17 PHE H 1 43 LEU HB2 4.000 . 6.000 5.230 3.837 6.118 0.118 20 0 "[ . 1 . 2]" 1
295 1 17 PHE H 1 43 LEU HG 4.000 . 5.000 3.455 2.680 4.506 . 0 0 "[ . 1 . 2]" 1
296 1 17 PHE HA 1 18 CYS H 3.000 . 3.500 2.160 2.134 2.192 . 0 0 "[ . 1 . 2]" 1
297 1 17 PHE HA 1 18 CYS HA 4.000 . 5.000 4.457 4.422 4.499 . 0 0 "[ . 1 . 2]" 1
298 1 17 PHE HA 1 18 CYS HB2 4.000 . 5.000 4.592 4.433 4.729 . 0 0 "[ . 1 . 2]" 1
299 1 17 PHE HA 1 24 ALA HA 3.000 . 3.500 2.395 1.971 2.828 . 0 0 "[ . 1 . 2]" 1
300 1 17 PHE HA 1 24 ALA MB 4.000 . 5.000 3.869 3.385 4.248 . 0 0 "[ . 1 . 2]" 1
301 1 17 PHE HA 1 41 VAL H 4.000 . 6.000 5.123 4.900 5.445 . 0 0 "[ . 1 . 2]" 1
302 1 17 PHE HA 1 43 LEU MD1 4.000 . 5.000 3.908 3.013 4.515 . 0 0 "[ . 1 . 2]" 1
303 1 17 PHE HA 1 43 LEU MD2 4.000 . 5.000 4.016 3.304 5.031 0.031 18 0 "[ . 1 . 2]" 1
304 1 17 PHE HB2 1 41 VAL H 4.000 . 6.000 5.229 4.823 5.677 . 0 0 "[ . 1 . 2]" 1
305 1 17 PHE HB2 1 41 VAL MG2 4.000 . 5.000 3.584 3.237 3.886 . 0 0 "[ . 1 . 2]" 1
306 1 17 PHE HB2 1 43 LEU HA 4.000 . 5.000 4.353 2.170 5.163 0.163 14 0 "[ . 1 . 2]" 1
307 1 17 PHE HB2 1 43 LEU MD2 4.000 . 5.000 2.082 1.845 3.289 . 0 0 "[ . 1 . 2]" 1
308 1 17 PHE HB3 1 18 CYS H 4.000 . 5.000 4.347 4.182 4.492 . 0 0 "[ . 1 . 2]" 1
309 1 17 PHE HB3 1 41 VAL H 4.000 . 5.000 3.665 3.289 4.167 . 0 0 "[ . 1 . 2]" 1
310 1 17 PHE HB3 1 41 VAL MG1 4.000 . 5.000 4.799 4.471 5.082 0.082 16 0 "[ . 1 . 2]" 1
311 1 17 PHE HB3 1 41 VAL MG2 4.000 . 5.000 2.237 2.049 2.555 . 0 0 "[ . 1 . 2]" 1
312 1 17 PHE HB3 1 43 LEU H 4.000 . 6.000 5.142 4.496 5.905 . 0 0 "[ . 1 . 2]" 1
313 1 17 PHE HB3 1 43 LEU HA 4.000 . 5.000 4.765 2.995 5.111 0.111 14 0 "[ . 1 . 2]" 1
314 1 17 PHE HB3 1 43 LEU MD2 4.000 . 5.000 3.118 2.627 4.505 . 0 0 "[ . 1 . 2]" 1
315 1 17 PHE QD 1 18 CYS H 4.000 . 6.000 3.814 3.634 4.070 . 0 0 "[ . 1 . 2]" 1
316 1 17 PHE QD 1 19 GLU HA 4.000 . 5.000 3.578 3.037 4.540 . 0 0 "[ . 1 . 2]" 1
317 1 17 PHE QD 1 19 GLU HG2 4.000 . 6.000 3.377 2.079 4.912 . 0 0 "[ . 1 . 2]" 1
318 1 17 PHE QD 1 19 GLU QG 4.000 . 5.000 3.246 2.045 4.665 . 0 0 "[ . 1 . 2]" 1
319 1 17 PHE QD 1 19 GLU HG3 4.000 . 6.000 4.257 2.806 5.813 . 0 0 "[ . 1 . 2]" 1
320 1 17 PHE QD 1 24 ALA HA 4.000 . 5.000 2.826 2.313 3.590 . 0 0 "[ . 1 . 2]" 1
321 1 17 PHE QD 1 24 ALA MB 4.000 . 5.000 2.857 2.208 3.606 . 0 0 "[ . 1 . 2]" 1
322 1 17 PHE QD 1 41 VAL MG1 4.000 . 5.000 4.473 4.009 4.948 . 0 0 "[ . 1 . 2]" 1
323 1 17 PHE QD 1 41 VAL MG2 4.000 . 5.000 2.520 2.013 3.033 . 0 0 "[ . 1 . 2]" 1
324 1 17 PHE QD 1 43 LEU MD2 4.000 . 5.000 3.091 2.494 3.989 . 0 0 "[ . 1 . 2]" 1
325 1 17 PHE QE 1 18 CYS H 4.000 . 6.000 4.923 4.730 5.211 . 0 0 "[ . 1 . 2]" 1
326 1 17 PHE QE 1 19 GLU HA 4.000 . 5.000 2.954 2.353 3.957 . 0 0 "[ . 1 . 2]" 1
327 1 17 PHE QE 1 22 GLY HA2 4.000 . 5.000 3.349 2.738 4.052 . 0 0 "[ . 1 . 2]" 1
328 1 17 PHE QE 1 23 LYS HA 4.000 . 5.000 3.800 3.043 4.705 . 0 0 "[ . 1 . 2]" 1
329 1 17 PHE HZ 1 19 GLU HA 4.000 . 6.000 4.561 3.648 5.895 . 0 0 "[ . 1 . 2]" 1
330 1 17 PHE HZ 1 22 GLY HA2 4.000 . 5.000 3.142 2.503 3.794 . 0 0 "[ . 1 . 2]" 1
331 1 17 PHE HZ 1 22 GLY HA3 4.000 . 5.000 4.265 3.600 5.033 0.033 15 0 "[ . 1 . 2]" 1
332 1 18 CYS H 1 18 CYS HB2 3.000 . 3.500 2.636 2.396 2.842 . 0 0 "[ . 1 . 2]" 1
333 1 18 CYS H 1 18 CYS HB3 3.000 . 3.500 2.760 2.451 3.574 0.074 8 0 "[ . 1 . 2]" 1
334 1 18 CYS H 1 19 GLU H 4.000 . 5.000 4.444 4.298 4.595 . 0 0 "[ . 1 . 2]" 1
335 1 18 CYS H 1 22 GLY H 4.000 . 5.000 4.571 4.298 4.861 . 0 0 "[ . 1 . 2]" 1
336 1 18 CYS H 1 22 GLY HA2 4.000 . 5.000 5.045 4.606 5.157 0.157 3 0 "[ . 1 . 2]" 1
337 1 18 CYS H 1 23 LYS H 4.000 . 5.000 3.470 3.028 4.452 . 0 0 "[ . 1 . 2]" 1
338 1 18 CYS H 1 24 ALA HA 4.000 . 5.000 3.670 3.110 4.275 . 0 0 "[ . 1 . 2]" 1
339 1 18 CYS H 1 25 LEU H 4.000 . 5.000 3.446 3.073 3.762 . 0 0 "[ . 1 . 2]" 1
340 1 18 CYS H 1 25 LEU MD1 4.000 . 6.000 3.856 3.377 4.485 . 0 0 "[ . 1 . 2]" 1
341 1 18 CYS H 1 25 LEU MD2 4.000 . 5.000 4.701 4.237 5.077 0.077 14 0 "[ . 1 . 2]" 1
342 1 18 CYS H 1 25 LEU HG 4.000 . 5.000 3.316 2.932 3.787 . 0 0 "[ . 1 . 2]" 1
343 1 18 CYS H 1 40 MET ME 4.000 . 6.000 5.008 4.444 5.834 . 0 0 "[ . 1 . 2]" 1
344 1 18 CYS HA 1 19 GLU H 3.000 . 3.500 2.184 2.124 2.270 . 0 0 "[ . 1 . 2]" 1
345 1 18 CYS HA 1 19 GLU QB 4.000 . 5.000 4.464 4.349 4.657 . 0 0 "[ . 1 . 2]" 1
346 1 18 CYS HA 1 20 LYS H 4.000 . 5.000 4.002 3.543 4.556 . 0 0 "[ . 1 . 2]" 1
347 1 18 CYS HA 1 40 MET HA 4.000 . 5.000 2.307 1.980 2.949 . 0 0 "[ . 1 . 2]" 1
348 1 18 CYS HA 1 40 MET ME 4.000 . 6.000 3.902 3.115 4.809 . 0 0 "[ . 1 . 2]" 1
349 1 18 CYS HA 1 40 MET QG 4.000 . 5.000 3.896 2.020 4.804 . 0 0 "[ . 1 . 2]" 1
350 1 18 CYS HA 1 41 VAL H 4.000 . 5.000 3.644 3.183 4.265 . 0 0 "[ . 1 . 2]" 1
351 1 18 CYS HB2 1 19 GLU H 4.000 . 5.000 4.337 4.032 4.542 . 0 0 "[ . 1 . 2]" 1
352 1 18 CYS HB2 1 20 LYS H 4.000 . 6.000 5.108 4.388 5.465 . 0 0 "[ . 1 . 2]" 1
353 1 18 CYS HB2 1 21 ASP HB2 4.000 . 5.000 4.065 2.062 4.832 . 0 0 "[ . 1 . 2]" 1
354 1 18 CYS HB2 1 21 ASP HB3 3.000 . 3.500 3.274 2.214 3.923 0.423 11 0 "[ . 1 . 2]" 1
355 1 18 CYS HB2 1 22 GLY H 4.000 . 5.000 4.531 2.707 5.081 0.081 3 0 "[ . 1 . 2]" 1
356 1 18 CYS HB2 1 23 LYS H 4.000 . 5.000 4.121 1.980 5.036 0.036 4 0 "[ . 1 . 2]" 1
357 1 18 CYS HB2 1 25 LEU MD1 4.000 . 5.000 2.647 2.007 4.530 . 0 0 "[ . 1 . 2]" 1
358 1 18 CYS HB2 1 25 LEU MD2 4.000 . 5.000 4.386 3.668 5.030 0.030 10 0 "[ . 1 . 2]" 1
359 1 18 CYS HB3 1 19 GLU H 4.000 . 5.000 4.081 3.473 4.392 . 0 0 "[ . 1 . 2]" 1
360 1 18 CYS HB3 1 20 LYS H 4.000 . 5.000 4.341 3.182 4.858 . 0 0 "[ . 1 . 2]" 1
361 1 18 CYS HB3 1 21 ASP H 4.000 . 5.000 3.017 2.115 3.454 . 0 0 "[ . 1 . 2]" 1
362 1 18 CYS HB3 1 21 ASP HB2 4.000 . 5.000 3.164 1.703 3.969 0.097 11 0 "[ . 1 . 2]" 1
363 1 18 CYS HB3 1 22 GLY H 4.000 . 5.000 3.276 2.765 3.528 . 0 0 "[ . 1 . 2]" 1
364 1 18 CYS HB3 1 22 GLY HA2 4.000 . 5.000 4.903 4.445 5.118 0.118 10 0 "[ . 1 . 2]" 1
365 1 18 CYS HB3 1 23 LYS H 4.000 . 5.000 3.177 2.532 3.870 . 0 0 "[ . 1 . 2]" 1
366 1 18 CYS HB3 1 23 LYS QB 4.000 . 5.000 4.120 3.391 4.995 . 0 0 "[ . 1 . 2]" 1
367 1 18 CYS HB3 1 25 LEU MD1 4.000 . 5.000 3.354 2.794 4.623 . 0 0 "[ . 1 . 2]" 1
368 1 19 GLU H 1 19 GLU QB 3.000 . 3.500 2.459 2.330 2.599 . 0 0 "[ . 1 . 2]" 1
369 1 19 GLU H 1 19 GLU HG2 4.000 . 5.000 2.917 2.164 3.511 . 0 0 "[ . 1 . 2]" 1
370 1 19 GLU H 1 19 GLU QG 3.000 . 3.500 2.205 2.023 2.492 . 0 0 "[ . 1 . 2]" 1
371 1 19 GLU H 1 19 GLU HG3 4.000 . 5.000 2.842 2.039 3.758 . 0 0 "[ . 1 . 2]" 1
372 1 19 GLU H 1 20 LYS H 3.000 . 3.500 2.567 2.436 2.817 . 0 0 "[ . 1 . 2]" 1
373 1 19 GLU H 1 20 LYS HB3 4.000 . 6.000 5.087 4.771 5.442 . 0 0 "[ . 1 . 2]" 1
374 1 19 GLU H 1 20 LYS HG2 4.000 . 5.000 3.903 3.446 4.408 . 0 0 "[ . 1 . 2]" 1
375 1 19 GLU H 1 21 ASP H 4.000 . 6.000 4.062 3.883 4.213 . 0 0 "[ . 1 . 2]" 1
376 1 19 GLU H 1 22 GLY H 4.000 . 5.000 4.477 4.306 4.691 . 0 0 "[ . 1 . 2]" 1
377 1 19 GLU H 1 39 ALA MB 4.000 . 5.000 3.479 2.859 4.604 . 0 0 "[ . 1 . 2]" 1
378 1 19 GLU H 1 40 MET H 4.000 . 6.000 4.509 3.804 5.184 . 0 0 "[ . 1 . 2]" 1
379 1 19 GLU H 1 40 MET HA 3.000 . 3.500 2.620 1.966 3.576 0.076 8 0 "[ . 1 . 2]" 1
380 1 19 GLU H 1 41 VAL H 4.000 . 5.000 3.942 3.405 4.565 . 0 0 "[ . 1 . 2]" 1
381 1 19 GLU HA 1 19 GLU QG 3.000 . 3.500 2.724 2.433 3.162 . 0 0 "[ . 1 . 2]" 1
382 1 19 GLU HA 1 21 ASP H 4.000 . 5.000 4.556 3.967 4.909 . 0 0 "[ . 1 . 2]" 1
383 1 19 GLU HA 1 22 GLY H 4.000 . 5.000 3.746 3.350 4.170 . 0 0 "[ . 1 . 2]" 1
384 1 19 GLU HA 1 22 GLY HA2 4.000 . 5.000 3.709 3.084 4.375 . 0 0 "[ . 1 . 2]" 1
385 1 19 GLU QB 1 20 LYS H 3.000 . 3.500 2.643 2.301 3.063 . 0 0 "[ . 1 . 2]" 1
386 1 19 GLU QB 1 22 GLY H 4.000 . 6.000 5.017 4.736 5.321 . 0 0 "[ . 1 . 2]" 1
387 1 19 GLU QB 1 39 ALA H 4.000 . 6.000 5.093 4.566 5.751 . 0 0 "[ . 1 . 2]" 1
388 1 19 GLU QB 1 39 ALA MB 4.000 . 5.000 2.152 1.724 3.128 0.076 8 0 "[ . 1 . 2]" 1
389 1 19 GLU QG 1 20 LYS H 4.000 . 5.000 4.052 3.765 4.290 . 0 0 "[ . 1 . 2]" 1
390 1 19 GLU QG 1 39 ALA MB 4.000 . 5.000 3.230 2.216 4.047 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLU QG 1 40 MET HA 4.000 . 5.000 2.883 2.064 4.110 . 0 0 "[ . 1 . 2]" 1
392 1 19 GLU QG 1 41 VAL H 4.000 . 5.000 3.100 2.512 3.916 . 0 0 "[ . 1 . 2]" 1
393 1 19 GLU QG 1 41 VAL MG2 4.000 . 5.000 2.832 2.251 4.167 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLU HG2 1 41 VAL MG1 4.000 . 5.000 3.350 2.407 4.379 . 0 0 "[ . 1 . 2]" 1
395 1 19 GLU HG2 1 41 VAL MG2 4.000 . 6.000 3.096 2.515 4.441 . 0 0 "[ . 1 . 2]" 1
396 1 19 GLU HG3 1 41 VAL MG1 4.000 . 5.000 3.218 2.279 3.909 . 0 0 "[ . 1 . 2]" 1
397 1 19 GLU HG3 1 41 VAL MG2 4.000 . 6.000 3.467 2.539 5.042 . 0 0 "[ . 1 . 2]" 1
398 1 20 LYS H 1 20 LYS QD 4.000 . 6.000 3.916 3.625 4.169 . 0 0 "[ . 1 . 2]" 1
399 1 20 LYS H 1 20 LYS QE 4.000 . 6.000 4.733 3.875 5.165 . 0 0 "[ . 1 . 2]" 1
400 1 20 LYS H 1 20 LYS HG2 3.000 . 3.500 2.108 1.899 2.389 . 0 0 "[ . 1 . 2]" 1
401 1 20 LYS H 1 20 LYS HG3 4.000 . 5.000 3.129 2.768 3.434 . 0 0 "[ . 1 . 2]" 1
402 1 20 LYS H 1 21 ASP H 3.000 . 3.500 2.527 2.334 2.777 . 0 0 "[ . 1 . 2]" 1
403 1 20 LYS HA 1 20 LYS HG2 4.000 . 5.000 3.813 3.729 3.929 . 0 0 "[ . 1 . 2]" 1
404 1 20 LYS HA 1 21 ASP HA 4.000 . 5.000 4.758 4.607 4.841 . 0 0 "[ . 1 . 2]" 1
405 1 20 LYS HA 1 22 GLY H 4.000 . 5.000 4.424 4.188 4.839 . 0 0 "[ . 1 . 2]" 1
406 1 20 LYS HB2 1 21 ASP H 4.000 . 5.000 3.812 3.526 4.281 . 0 0 "[ . 1 . 2]" 1
407 1 20 LYS HB2 1 21 ASP HA 4.000 . 5.000 4.605 4.416 4.884 . 0 0 "[ . 1 . 2]" 1
408 1 20 LYS HB2 1 22 GLY H 4.000 . 6.000 5.622 5.381 6.037 0.037 14 0 "[ . 1 . 2]" 1
409 1 20 LYS QD 1 21 ASP H 4.000 . 6.000 4.279 3.960 4.946 . 0 0 "[ . 1 . 2]" 1
410 1 20 LYS HG2 1 21 ASP H 3.000 . 3.500 2.853 2.531 3.303 . 0 0 "[ . 1 . 2]" 1
411 1 20 LYS HG3 1 22 GLY H 4.000 . 5.000 4.615 4.267 5.008 0.008 14 0 "[ . 1 . 2]" 1
412 1 21 ASP H 1 21 ASP HB2 3.000 . 3.500 2.631 2.218 3.047 . 0 0 "[ . 1 . 2]" 1
413 1 21 ASP H 1 21 ASP HB3 4.000 . 5.000 2.617 2.341 3.627 . 0 0 "[ . 1 . 2]" 1
414 1 21 ASP HA 1 23 LYS H 4.000 . 6.000 4.766 4.316 5.231 . 0 0 "[ . 1 . 2]" 1
415 1 21 ASP HB2 1 22 GLY H 4.000 . 5.000 3.899 3.000 4.131 . 0 0 "[ . 1 . 2]" 1
416 1 21 ASP HB2 1 23 LYS H 4.000 . 5.000 4.539 3.053 5.012 0.012 20 0 "[ . 1 . 2]" 1
417 1 21 ASP HB3 1 22 GLY H 4.000 . 5.000 2.980 2.737 3.896 . 0 0 "[ . 1 . 2]" 1
418 1 21 ASP HB3 1 23 LYS H 4.000 . 5.000 3.103 2.621 3.868 . 0 0 "[ . 1 . 2]" 1
419 1 21 ASP HB3 1 23 LYS HA 4.000 . 6.000 5.646 5.160 6.031 0.031 12 0 "[ . 1 . 2]" 1
420 1 22 GLY H 1 22 GLY HA2 3.000 . 3.500 2.274 2.258 2.298 . 0 0 "[ . 1 . 2]" 1
421 1 22 GLY H 1 23 LYS H 3.000 . 3.500 2.682 2.526 2.915 . 0 0 "[ . 1 . 2]" 1
422 1 22 GLY H 1 23 LYS QB 4.000 . 5.000 4.753 4.448 5.018 0.018 12 0 "[ . 1 . 2]" 1
423 1 22 GLY HA2 1 23 LYS HA 4.000 . 5.000 4.506 4.364 4.677 . 0 0 "[ . 1 . 2]" 1
424 1 22 GLY HA3 1 23 LYS HA 4.000 . 5.000 4.641 4.480 4.714 . 0 0 "[ . 1 . 2]" 1
425 1 23 LYS H 1 23 LYS HB2 4.000 . 5.000 2.652 2.355 2.777 . 0 0 "[ . 1 . 2]" 1
426 1 23 LYS H 1 23 LYS QB 3.000 . 3.500 2.603 2.326 2.717 . 0 0 "[ . 1 . 2]" 1
427 1 23 LYS H 1 23 LYS HB3 4.000 . 5.000 3.787 3.619 3.852 . 0 0 "[ . 1 . 2]" 1
428 1 23 LYS H 1 23 LYS QD 4.000 . 5.000 4.341 3.824 4.887 . 0 0 "[ . 1 . 2]" 1
429 1 23 LYS H 1 23 LYS QG 4.000 . 5.000 3.152 2.833 3.474 . 0 0 "[ . 1 . 2]" 1
430 1 23 LYS H 1 24 ALA H 4.000 . 5.000 4.425 4.357 4.547 . 0 0 "[ . 1 . 2]" 1
431 1 23 LYS HA 1 23 LYS QD 4.000 . 5.000 3.133 1.980 4.342 . 0 0 "[ . 1 . 2]" 1
432 1 23 LYS HA 1 24 ALA H 3.000 . 3.500 2.282 2.139 2.662 . 0 0 "[ . 1 . 2]" 1
433 1 23 LYS HA 1 24 ALA HA 4.000 . 5.000 4.394 4.348 4.462 . 0 0 "[ . 1 . 2]" 1
434 1 23 LYS HA 1 24 ALA MB 4.000 . 5.000 3.966 3.825 4.053 . 0 0 "[ . 1 . 2]" 1
435 1 23 LYS QB 1 23 LYS QD 3.000 . 3.500 2.559 2.304 2.889 . 0 0 "[ . 1 . 2]" 1
436 1 23 LYS QB 1 24 ALA H 3.000 . 3.500 2.661 2.056 3.060 . 0 0 "[ . 1 . 2]" 1
437 1 23 LYS QB 1 24 ALA MB 4.000 . 5.000 4.185 3.877 4.375 . 0 0 "[ . 1 . 2]" 1
438 1 23 LYS QB 1 25 LEU MD2 4.000 . 5.000 2.779 2.277 3.782 . 0 0 "[ . 1 . 2]" 1
439 1 23 LYS HB2 1 24 ALA H 4.000 . 5.000 3.872 3.202 4.218 . 0 0 "[ . 1 . 2]" 1
440 1 23 LYS HB3 1 24 ALA H 4.000 . 5.000 2.712 2.081 3.141 . 0 0 "[ . 1 . 2]" 1
441 1 23 LYS QE 1 24 ALA H 4.000 . 5.000 3.890 2.732 5.159 0.159 16 0 "[ . 1 . 2]" 1
442 1 23 LYS QG 1 24 ALA H 4.000 . 5.000 4.150 3.776 4.471 . 0 0 "[ . 1 . 2]" 1
443 1 23 LYS HG2 1 24 ALA H 4.000 . 5.000 4.498 3.980 5.014 0.014 19 0 "[ . 1 . 2]" 1
444 1 23 LYS HG3 1 24 ALA H 4.000 . 5.000 4.929 4.696 5.061 0.061 10 0 "[ . 1 . 2]" 1
445 1 24 ALA H 1 24 ALA MB 3.000 . 3.500 2.284 2.223 2.363 . 0 0 "[ . 1 . 2]" 1
446 1 24 ALA H 1 25 LEU H 4.000 . 5.000 4.230 4.159 4.430 . 0 0 "[ . 1 . 2]" 1
447 1 24 ALA H 1 43 LEU MD1 4.000 . 6.000 5.027 4.564 5.713 . 0 0 "[ . 1 . 2]" 1
448 1 24 ALA HA 1 25 LEU H 3.000 . 3.500 2.169 2.143 2.191 . 0 0 "[ . 1 . 2]" 1
449 1 24 ALA HA 1 25 LEU HG 4.000 . 5.000 4.132 3.890 4.324 . 0 0 "[ . 1 . 2]" 1
450 1 24 ALA HA 1 43 LEU MD1 4.000 . 5.000 3.185 2.541 3.806 . 0 0 "[ . 1 . 2]" 1
451 1 24 ALA MB 1 25 LEU H 4.000 . 5.000 3.481 3.329 3.542 . 0 0 "[ . 1 . 2]" 1
452 1 24 ALA MB 1 25 LEU HA 4.000 . 6.000 4.427 4.338 4.475 . 0 0 "[ . 1 . 2]" 1
453 1 24 ALA MB 1 43 LEU MD1 3.000 . 3.500 2.188 1.853 3.039 . 0 0 "[ . 1 . 2]" 1
454 1 24 ALA MB 1 43 LEU HG 4.000 . 6.000 4.158 3.015 4.999 . 0 0 "[ . 1 . 2]" 1
455 1 25 LEU H 1 25 LEU HB2 3.000 . 3.500 2.553 2.498 2.679 . 0 0 "[ . 1 . 2]" 1
456 1 25 LEU H 1 25 LEU MD2 4.000 . 5.000 3.418 3.018 3.636 . 0 0 "[ . 1 . 2]" 1
457 1 25 LEU H 1 25 LEU HG 3.000 . 3.500 2.592 2.327 2.867 . 0 0 "[ . 1 . 2]" 1
458 1 25 LEU H 1 26 CYS H 4.000 . 6.000 4.509 4.455 4.556 . 0 0 "[ . 1 . 2]" 1
459 1 25 LEU H 1 43 LEU MD1 4.000 . 5.000 4.172 3.511 4.732 . 0 0 "[ . 1 . 2]" 1
460 1 25 LEU HA 1 25 LEU MD2 4.000 . 5.000 2.160 2.102 2.293 . 0 0 "[ . 1 . 2]" 1
461 1 25 LEU HA 1 26 CYS H 3.000 . 3.500 2.596 2.516 2.643 . 0 0 "[ . 1 . 2]" 1
462 1 25 LEU HA 1 29 CYS HB2 4.000 . 6.000 4.319 3.789 4.709 . 0 0 "[ . 1 . 2]" 1
463 1 25 LEU HA 1 29 CYS QB 4.000 . 5.000 4.133 3.618 4.497 . 0 0 "[ . 1 . 2]" 1
464 1 25 LEU HA 1 29 CYS HB3 4.000 . 6.000 5.277 4.582 5.725 . 0 0 "[ . 1 . 2]" 1
465 1 25 LEU HB2 1 26 CYS H 4.000 . 5.000 3.230 3.090 3.368 . 0 0 "[ . 1 . 2]" 1
466 1 25 LEU HB2 1 26 CYS HA 4.000 . 6.000 4.620 4.490 4.729 . 0 0 "[ . 1 . 2]" 1
467 1 25 LEU HB2 1 29 CYS H 4.000 . 6.000 5.732 5.262 6.039 0.039 5 0 "[ . 1 . 2]" 1
468 1 25 LEU HB2 1 29 CYS QB 4.000 . 5.000 4.013 3.180 4.416 . 0 0 "[ . 1 . 2]" 1
469 1 25 LEU HB2 1 30 ALA H 4.000 . 5.000 4.970 4.812 5.098 0.098 7 0 "[ . 1 . 2]" 1
470 1 25 LEU HB3 1 26 CYS H 4.000 . 5.000 2.152 2.064 2.263 . 0 0 "[ . 1 . 2]" 1
471 1 25 LEU HB3 1 26 CYS HA 4.000 . 6.000 4.578 4.481 4.742 . 0 0 "[ . 1 . 2]" 1
472 1 25 LEU HB3 1 29 CYS H 4.000 . 6.000 4.588 4.149 4.982 . 0 0 "[ . 1 . 2]" 1
473 1 25 LEU HB3 1 29 CYS HA 4.000 . 6.000 5.464 4.751 5.890 . 0 0 "[ . 1 . 2]" 1
474 1 25 LEU HB3 1 29 CYS HB2 4.000 . 5.000 2.666 1.906 3.084 . 0 0 "[ . 1 . 2]" 1
475 1 25 LEU HB3 1 29 CYS QB 4.000 . 5.000 2.593 1.863 2.992 . 0 0 "[ . 1 . 2]" 1
476 1 25 LEU HB3 1 29 CYS HB3 4.000 . 5.000 3.555 2.631 4.031 . 0 0 "[ . 1 . 2]" 1
477 1 25 LEU MD1 1 29 CYS HB2 4.000 . 5.000 3.618 2.971 4.056 . 0 0 "[ . 1 . 2]" 1
478 1 25 LEU MD1 1 29 CYS QB 4.000 . 5.000 3.044 1.982 3.542 . 0 0 "[ . 1 . 2]" 1
479 1 25 LEU MD1 1 29 CYS HB3 4.000 . 5.000 3.305 2.012 3.909 . 0 0 "[ . 1 . 2]" 1
480 1 25 LEU MD1 1 30 ALA H 4.000 . 5.000 4.572 4.326 4.896 . 0 0 "[ . 1 . 2]" 1
481 1 25 LEU MD1 1 30 ALA HA 4.000 . 5.000 3.613 3.009 4.597 . 0 0 "[ . 1 . 2]" 1
482 1 25 LEU MD1 1 30 ALA MB 4.000 . 5.000 3.747 2.995 4.403 . 0 0 "[ . 1 . 2]" 1
483 1 25 LEU MD1 1 40 MET ME 3.000 . 3.500 2.658 2.055 3.564 0.064 1 0 "[ . 1 . 2]" 1
484 1 25 LEU MD1 1 40 MET QG 4.000 . 6.000 4.903 3.504 5.784 . 0 0 "[ . 1 . 2]" 1
485 1 25 LEU MD2 1 26 CYS H 4.000 . 5.000 3.661 3.512 3.934 . 0 0 "[ . 1 . 2]" 1
486 1 25 LEU MD2 1 29 CYS HB2 4.000 . 6.000 3.692 3.089 4.443 . 0 0 "[ . 1 . 2]" 1
487 1 25 LEU MD2 1 29 CYS QB 4.000 . 5.000 3.236 2.659 4.012 . 0 0 "[ . 1 . 2]" 1
488 1 25 LEU MD2 1 29 CYS HB3 4.000 . 6.000 3.590 2.901 4.569 . 0 0 "[ . 1 . 2]" 1
489 1 26 CYS H 1 27 TRP H 4.000 . 5.000 4.518 4.473 4.587 . 0 0 "[ . 1 . 2]" 1
490 1 26 CYS H 1 29 CYS H 4.000 . 5.000 3.652 3.309 3.936 . 0 0 "[ . 1 . 2]" 1
491 1 26 CYS H 1 29 CYS HB2 4.000 . 5.000 2.570 2.147 2.829 . 0 0 "[ . 1 . 2]" 1
492 1 26 CYS H 1 29 CYS QB 3.000 . 3.500 2.547 2.134 2.800 . 0 0 "[ . 1 . 2]" 1
493 1 26 CYS H 1 29 CYS HB3 4.000 . 5.000 4.157 3.731 4.470 . 0 0 "[ . 1 . 2]" 1
494 1 26 CYS H 1 30 ALA H 4.000 . 5.000 4.426 4.112 4.837 . 0 0 "[ . 1 . 2]" 1
495 1 26 CYS HA 1 27 TRP HA 4.000 . 5.000 4.378 4.311 4.437 . 0 0 "[ . 1 . 2]" 1
496 1 26 CYS HA 1 28 VAL H 4.000 . 6.000 4.447 4.249 4.844 . 0 0 "[ . 1 . 2]" 1
497 1 26 CYS HA 1 29 CYS H 4.000 . 6.000 4.873 4.686 5.250 . 0 0 "[ . 1 . 2]" 1
498 1 26 CYS QB 1 28 VAL H 4.000 . 5.000 3.226 2.908 3.586 . 0 0 "[ . 1 . 2]" 1
499 1 27 TRP H 1 27 TRP HB2 3.000 . 3.500 2.559 2.477 2.771 . 0 0 "[ . 1 . 2]" 1
500 1 27 TRP H 1 27 TRP QB 3.000 . 3.500 2.245 2.190 2.287 . 0 0 "[ . 1 . 2]" 1
501 1 27 TRP H 1 27 TRP HB3 3.000 . 3.500 2.496 2.323 2.567 . 0 0 "[ . 1 . 2]" 1
502 1 27 TRP H 1 27 TRP HD1 4.000 . 6.000 4.970 4.843 5.158 . 0 0 "[ . 1 . 2]" 1
503 1 27 TRP H 1 28 VAL H 4.000 . 5.000 2.799 2.666 2.912 . 0 0 "[ . 1 . 2]" 1
504 1 27 TRP H 1 28 VAL MG2 4.000 . 6.000 4.052 3.800 4.243 . 0 0 "[ . 1 . 2]" 1
505 1 27 TRP H 1 29 CYS H 4.000 . 6.000 4.452 4.305 4.649 . 0 0 "[ . 1 . 2]" 1
506 1 27 TRP H 1 30 ALA H 4.000 . 6.000 4.819 4.665 5.031 . 0 0 "[ . 1 . 2]" 1
507 1 27 TRP H 1 30 ALA MB 4.000 . 6.000 4.470 4.200 4.672 . 0 0 "[ . 1 . 2]" 1
508 1 27 TRP HA 1 27 TRP HD1 3.000 . 3.500 2.896 2.527 3.127 . 0 0 "[ . 1 . 2]" 1
509 1 27 TRP HA 1 27 TRP HE1 4.000 . 6.000 5.047 4.874 5.227 . 0 0 "[ . 1 . 2]" 1
510 1 27 TRP HA 1 28 VAL HA 4.000 . 5.000 4.897 4.846 4.937 . 0 0 "[ . 1 . 2]" 1
511 1 27 TRP HA 1 30 ALA H 4.000 . 5.000 3.373 3.141 3.856 . 0 0 "[ . 1 . 2]" 1
512 1 27 TRP HA 1 30 ALA MB 3.000 . 3.500 2.364 2.142 2.840 . 0 0 "[ . 1 . 2]" 1
513 1 27 TRP QB 1 27 TRP HD1 3.000 . 3.500 2.793 2.694 2.948 . 0 0 "[ . 1 . 2]" 1
514 1 27 TRP QB 1 28 VAL H 4.000 . 5.000 2.714 2.482 2.882 . 0 0 "[ . 1 . 2]" 1
515 1 27 TRP QB 1 29 CYS H 4.000 . 5.000 4.976 4.844 5.088 0.088 20 0 "[ . 1 . 2]" 1
516 1 27 TRP HD1 1 28 VAL H 4.000 . 6.000 5.641 5.301 5.897 . 0 0 "[ . 1 . 2]" 1
517 1 27 TRP HD1 1 30 ALA H 4.000 . 6.000 5.678 4.862 6.169 0.169 17 0 "[ . 1 . 2]" 1
518 1 27 TRP HD1 1 30 ALA MB 4.000 . 5.000 3.543 2.627 4.356 . 0 0 "[ . 1 . 2]" 1
519 1 27 TRP HE1 1 31 GLN HA 4.000 . 6.000 6.000 5.668 6.212 0.212 2 0 "[ . 1 . 2]" 1
520 1 27 TRP HE1 1 31 GLN QB 4.000 . 6.000 4.507 3.586 5.546 . 0 0 "[ . 1 . 2]" 1
521 1 27 TRP HE1 1 31 GLN QG 4.000 . 5.000 3.470 2.303 5.095 0.095 10 0 "[ . 1 . 2]" 1
522 1 27 TRP HE3 1 28 VAL H 4.000 . 6.000 3.544 3.064 4.511 . 0 0 "[ . 1 . 2]" 1
523 1 27 TRP HE3 1 28 VAL HA 4.000 . 6.000 3.740 2.828 4.861 . 0 0 "[ . 1 . 2]" 1
524 1 28 VAL H 1 28 VAL HB 3.000 . 3.500 2.602 2.501 2.706 . 0 0 "[ . 1 . 2]" 1
525 1 28 VAL H 1 28 VAL MG1 4.000 . 5.000 3.823 3.803 3.841 . 0 0 "[ . 1 . 2]" 1
526 1 28 VAL H 1 28 VAL MG2 4.000 . 5.000 2.023 1.935 2.158 . 0 0 "[ . 1 . 2]" 1
527 1 28 VAL H 1 29 CYS H 3.000 . 3.500 2.795 2.681 2.916 . 0 0 "[ . 1 . 2]" 1
528 1 28 VAL H 1 31 GLN H 4.000 . 6.000 4.864 4.645 5.066 . 0 0 "[ . 1 . 2]" 1
529 1 28 VAL H 1 31 GLN QG 4.000 . 6.000 4.779 4.128 5.382 . 0 0 "[ . 1 . 2]" 1
530 1 28 VAL HA 1 28 VAL MG1 3.000 . 3.500 2.473 2.423 2.547 . 0 0 "[ . 1 . 2]" 1
531 1 28 VAL HA 1 30 ALA H 4.000 . 5.000 4.188 3.985 4.352 . 0 0 "[ . 1 . 2]" 1
532 1 28 VAL HA 1 31 GLN H 4.000 . 5.000 3.697 3.351 4.133 . 0 0 "[ . 1 . 2]" 1
533 1 28 VAL HA 1 31 GLN QB 4.000 . 5.000 3.597 2.606 4.780 . 0 0 "[ . 1 . 2]" 1
534 1 28 VAL HA 1 31 GLN HG2 4.000 . 6.000 3.901 2.279 5.936 . 0 0 "[ . 1 . 2]" 1
535 1 28 VAL HA 1 31 GLN QG 4.000 . 5.000 3.424 2.203 4.650 . 0 0 "[ . 1 . 2]" 1
536 1 28 VAL HA 1 31 GLN HG3 4.000 . 6.000 4.002 2.267 5.501 . 0 0 "[ . 1 . 2]" 1
537 1 28 VAL HA 1 32 SER H 4.000 . 5.000 4.556 3.940 5.047 0.047 14 0 "[ . 1 . 2]" 1
538 1 28 VAL HB 1 29 CYS H 3.000 . 3.500 2.676 2.487 2.808 . 0 0 "[ . 1 . 2]" 1
539 1 28 VAL MG1 1 29 CYS H 4.000 . 5.000 3.532 3.310 3.714 . 0 0 "[ . 1 . 2]" 1
540 1 28 VAL MG1 1 29 CYS HA 4.000 . 5.000 3.641 3.379 3.824 . 0 0 "[ . 1 . 2]" 1
541 1 28 VAL MG1 1 31 GLN H 4.000 . 6.000 4.967 4.419 5.437 . 0 0 "[ . 1 . 2]" 1
542 1 28 VAL MG2 1 29 CYS H 4.000 . 5.000 3.873 3.762 4.004 . 0 0 "[ . 1 . 2]" 1
543 1 29 CYS H 1 29 CYS HB2 4.000 . 5.000 2.455 2.374 2.502 . 0 0 "[ . 1 . 2]" 1
544 1 29 CYS H 1 29 CYS QB 3.000 . 3.500 2.419 2.344 2.463 . 0 0 "[ . 1 . 2]" 1
545 1 29 CYS H 1 29 CYS HB3 4.000 . 5.000 3.655 3.621 3.678 . 0 0 "[ . 1 . 2]" 1
546 1 29 CYS H 1 31 GLN H 4.000 . 5.000 4.210 3.869 4.557 . 0 0 "[ . 1 . 2]" 1
547 1 29 CYS HA 1 30 ALA HA 4.000 . 5.000 4.810 4.747 4.868 . 0 0 "[ . 1 . 2]" 1
548 1 29 CYS HA 1 32 SER H 4.000 . 5.000 3.399 2.985 4.048 . 0 0 "[ . 1 . 2]" 1
549 1 29 CYS HA 1 32 SER HB2 4.000 . 5.000 2.852 1.984 4.378 . 0 0 "[ . 1 . 2]" 1
550 1 29 CYS HA 1 32 SER QB 4.000 . 5.000 2.396 1.945 3.352 . 0 0 "[ . 1 . 2]" 1
551 1 29 CYS HA 1 32 SER HB3 4.000 . 5.000 2.845 2.062 3.481 . 0 0 "[ . 1 . 2]" 1
552 1 29 CYS QB 1 30 ALA H 3.000 . 3.500 3.090 2.915 3.229 . 0 0 "[ . 1 . 2]" 1
553 1 29 CYS QB 1 31 GLN H 4.000 . 6.000 5.011 4.603 5.269 . 0 0 "[ . 1 . 2]" 1
554 1 29 CYS HB2 1 30 ALA H 4.000 . 5.000 3.213 3.021 3.373 . 0 0 "[ . 1 . 2]" 1
555 1 29 CYS HB2 1 30 ALA HA 4.000 . 6.000 4.693 4.470 4.918 . 0 0 "[ . 1 . 2]" 1
556 1 29 CYS HB3 1 30 ALA H 4.000 . 5.000 4.012 3.835 4.143 . 0 0 "[ . 1 . 2]" 1
557 1 29 CYS HB3 1 30 ALA HA 4.000 . 6.000 4.665 4.466 4.799 . 0 0 "[ . 1 . 2]" 1
558 1 30 ALA H 1 30 ALA MB 3.000 . 3.500 2.259 2.230 2.281 . 0 0 "[ . 1 . 2]" 1
559 1 30 ALA H 1 31 GLN H 3.000 . 3.500 2.506 2.315 2.655 . 0 0 "[ . 1 . 2]" 1
560 1 30 ALA H 1 32 SER H 4.000 . 5.000 3.760 3.586 4.056 . 0 0 "[ . 1 . 2]" 1
561 1 30 ALA H 1 40 MET ME 4.000 . 5.000 4.534 4.189 4.929 . 0 0 "[ . 1 . 2]" 1
562 1 30 ALA HA 1 32 SER H 4.000 . 5.000 4.147 3.680 4.827 . 0 0 "[ . 1 . 2]" 1
563 1 30 ALA HA 1 40 MET ME 3.000 . 3.500 2.339 1.954 3.322 . 0 0 "[ . 1 . 2]" 1
564 1 30 ALA MB 1 31 GLN H 4.000 . 5.000 2.562 2.237 3.259 . 0 0 "[ . 1 . 2]" 1
565 1 30 ALA MB 1 31 GLN QB 4.000 . 6.000 4.027 3.578 4.531 . 0 0 "[ . 1 . 2]" 1
566 1 30 ALA MB 1 31 GLN QG 4.000 . 5.000 3.189 2.351 3.981 . 0 0 "[ . 1 . 2]" 1
567 1 30 ALA MB 1 32 SER H 4.000 . 5.000 4.318 4.125 4.522 . 0 0 "[ . 1 . 2]" 1
568 1 30 ALA MB 1 40 MET QB 4.000 . 5.000 3.871 3.013 4.428 . 0 0 "[ . 1 . 2]" 1
569 1 30 ALA MB 1 40 MET ME 3.000 . 3.500 2.464 1.938 3.514 0.014 14 0 "[ . 1 . 2]" 1
570 1 31 GLN H 1 31 GLN HB2 4.000 . 5.000 2.876 2.451 3.757 . 0 0 "[ . 1 . 2]" 1
571 1 31 GLN H 1 31 GLN QB 3.000 . 3.500 2.545 2.415 2.814 . 0 0 "[ . 1 . 2]" 1
572 1 31 GLN H 1 31 GLN HB3 4.000 . 5.000 3.388 2.600 3.799 . 0 0 "[ . 1 . 2]" 1
573 1 31 GLN H 1 31 GLN HG2 4.000 . 5.000 2.688 2.145 3.640 . 0 0 "[ . 1 . 2]" 1
574 1 31 GLN H 1 31 GLN QG 3.000 . 3.500 2.367 2.002 2.856 . 0 0 "[ . 1 . 2]" 1
575 1 31 GLN H 1 31 GLN HG3 4.000 . 5.000 3.373 2.015 4.240 . 0 0 "[ . 1 . 2]" 1
576 1 31 GLN H 1 32 SER H 3.000 . 3.500 2.446 2.226 2.538 . 0 0 "[ . 1 . 2]" 1
577 1 31 GLN H 1 32 SER HA 4.000 . 6.000 4.951 4.319 5.179 . 0 0 "[ . 1 . 2]" 1
578 1 31 GLN H 1 32 SER QB 4.000 . 5.000 4.209 3.642 4.679 . 0 0 "[ . 1 . 2]" 1
579 1 31 GLN QB 1 32 SER H 4.000 . 5.000 3.403 2.744 4.007 . 0 0 "[ . 1 . 2]" 1
580 1 31 GLN HB2 1 32 SER H 4.000 . 5.000 3.630 2.801 4.485 . 0 0 "[ . 1 . 2]" 1
581 1 31 GLN HB3 1 32 SER H 4.000 . 5.000 4.232 3.908 4.511 . 0 0 "[ . 1 . 2]" 1
582 1 32 SER H 1 32 SER QB 3.000 . 3.500 2.307 2.227 2.616 . 0 0 "[ . 1 . 2]" 1
583 1 32 SER H 1 40 MET ME 4.000 . 6.000 5.610 4.901 6.040 0.040 13 0 "[ . 1 . 2]" 1
584 1 34 LYS HA 1 34 LYS HD2 4.000 . 5.000 3.227 2.029 4.663 . 0 0 "[ . 1 . 2]" 1
585 1 34 LYS HA 1 34 LYS QD 3.000 . 3.500 2.853 2.003 4.075 0.575 11 1 "[ . 1+ . 2]" 1
586 1 34 LYS HA 1 34 LYS HD3 4.000 . 5.000 3.567 2.167 4.788 . 0 0 "[ . 1 . 2]" 1
587 1 34 LYS HA 1 34 LYS HG2 4.000 . 5.000 3.156 2.412 3.907 . 0 0 "[ . 1 . 2]" 1
588 1 34 LYS HA 1 34 LYS QG 3.000 . 3.500 2.814 2.346 3.186 . 0 0 "[ . 1 . 2]" 1
589 1 34 LYS HA 1 34 LYS HG3 4.000 . 5.000 3.444 2.546 3.900 . 0 0 "[ . 1 . 2]" 1
590 1 34 LYS QB 1 35 HIS HE1 4.000 . 5.000 3.781 2.759 5.053 0.053 14 0 "[ . 1 . 2]" 1
591 1 34 LYS QD 1 35 HIS HE1 4.000 . 5.000 4.293 2.940 5.097 0.097 18 0 "[ . 1 . 2]" 1
592 1 34 LYS QE 1 35 HIS HE1 4.000 . 5.000 4.057 2.673 5.129 0.129 7 0 "[ . 1 . 2]" 1
593 1 36 ARG HA 1 36 ARG QD 4.000 . 5.000 3.277 1.968 4.616 . 0 0 "[ . 1 . 2]" 1
594 1 38 HIS H 1 39 ALA H 4.000 . 5.000 3.036 1.712 4.591 0.088 3 0 "[ . 1 . 2]" 1
595 1 38 HIS H 1 40 MET H 4.000 . 5.000 4.706 3.748 5.152 0.152 4 0 "[ . 1 . 2]" 1
596 1 38 HIS H 1 40 MET ME 4.000 . 5.000 4.233 3.218 5.110 0.110 8 0 "[ . 1 . 2]" 1
597 1 38 HIS H 1 40 MET QG 4.000 . 5.000 3.302 2.189 5.064 0.064 3 0 "[ . 1 . 2]" 1
598 1 39 ALA H 1 39 ALA MB 3.000 . 3.500 2.504 2.233 2.924 . 0 0 "[ . 1 . 2]" 1
599 1 39 ALA H 1 40 MET H 4.000 . 5.000 3.675 2.942 4.205 . 0 0 "[ . 1 . 2]" 1
600 1 39 ALA HA 1 40 MET H 2.000 . 2.700 2.310 2.140 2.540 . 0 0 "[ . 1 . 2]" 1
601 1 39 ALA HA 1 40 MET HA 4.000 . 5.000 4.421 4.345 4.581 . 0 0 "[ . 1 . 2]" 1
602 1 39 ALA MB 1 40 MET H 4.000 . 5.000 3.625 3.225 3.756 . 0 0 "[ . 1 . 2]" 1
603 1 39 ALA MB 1 40 MET QG 4.000 . 6.000 4.500 3.862 5.095 . 0 0 "[ . 1 . 2]" 1
604 1 39 ALA MB 1 41 VAL MG1 4.000 . 6.000 4.673 3.625 5.621 . 0 0 "[ . 1 . 2]" 1
605 1 40 MET H 1 40 MET HB2 4.000 . 5.000 3.476 2.489 4.038 . 0 0 "[ . 1 . 2]" 1
606 1 40 MET H 1 40 MET QB 3.000 . 3.500 3.041 2.451 3.395 . 0 0 "[ . 1 . 2]" 1
607 1 40 MET H 1 40 MET HB3 4.000 . 5.000 3.632 3.290 3.963 . 0 0 "[ . 1 . 2]" 1
608 1 40 MET H 1 40 MET ME 4.000 . 6.000 4.911 4.507 5.452 . 0 0 "[ . 1 . 2]" 1
609 1 40 MET H 1 40 MET HG2 4.000 . 5.000 3.069 2.575 4.331 . 0 0 "[ . 1 . 2]" 1
610 1 40 MET H 1 40 MET QG 3.000 . 3.500 2.742 2.473 3.208 . 0 0 "[ . 1 . 2]" 1
611 1 40 MET H 1 40 MET HG3 4.000 . 5.000 3.445 2.649 4.524 . 0 0 "[ . 1 . 2]" 1
612 1 40 MET H 1 41 VAL H 4.000 . 5.000 4.099 3.768 4.371 . 0 0 "[ . 1 . 2]" 1
613 1 40 MET H 1 41 VAL HA 4.000 . 6.000 4.729 4.450 5.013 . 0 0 "[ . 1 . 2]" 1
614 1 40 MET H 1 41 VAL MG1 4.000 . 5.000 3.964 3.321 4.275 . 0 0 "[ . 1 . 2]" 1
615 1 40 MET HA 1 40 MET ME 4.000 . 5.000 4.215 3.588 4.469 . 0 0 "[ . 1 . 2]" 1
616 1 40 MET HA 1 41 VAL H 3.000 . 3.500 2.175 2.101 2.333 . 0 0 "[ . 1 . 2]" 1
617 1 40 MET HA 1 41 VAL HA 4.000 . 5.000 4.481 4.445 4.532 . 0 0 "[ . 1 . 2]" 1
618 1 40 MET HA 1 41 VAL MG1 4.000 . 5.000 3.854 3.482 4.101 . 0 0 "[ . 1 . 2]" 1
619 1 40 MET HA 1 41 VAL MG2 4.000 . 5.000 3.757 3.514 3.990 . 0 0 "[ . 1 . 2]" 1
620 1 40 MET QB 1 40 MET ME 3.000 . 3.500 2.256 1.985 3.514 0.014 17 0 "[ . 1 . 2]" 1
621 1 40 MET QB 1 41 VAL H 4.000 . 5.000 3.290 2.582 3.603 . 0 0 "[ . 1 . 2]" 1
622 1 40 MET QB 1 41 VAL HA 4.000 . 6.000 4.506 4.177 4.935 . 0 0 "[ . 1 . 2]" 1
623 1 40 MET QB 1 41 VAL MG2 4.000 . 6.000 4.735 4.298 5.059 . 0 0 "[ . 1 . 2]" 1
624 1 40 MET HB2 1 40 MET ME 4.000 . 5.000 2.839 2.182 4.277 . 0 0 "[ . 1 . 2]" 1
625 1 40 MET HB2 1 41 VAL H 4.000 . 5.000 3.714 2.625 4.436 . 0 0 "[ . 1 . 2]" 1
626 1 40 MET HB3 1 40 MET ME 4.000 . 5.000 2.469 2.036 3.737 . 0 0 "[ . 1 . 2]" 1
627 1 40 MET HB3 1 41 VAL H 4.000 . 5.000 3.965 3.507 4.429 . 0 0 "[ . 1 . 2]" 1
628 1 40 MET ME 1 40 MET QG 3.000 . 3.500 2.484 2.232 2.644 . 0 0 "[ . 1 . 2]" 1
629 1 41 VAL H 1 41 VAL MG1 4.000 . 5.000 2.802 2.471 3.119 . 0 0 "[ . 1 . 2]" 1
630 1 41 VAL H 1 41 VAL MG2 3.000 . 3.500 2.122 1.999 2.274 . 0 0 "[ . 1 . 2]" 1
631 1 41 VAL H 1 42 PRO HD2 4.000 . 6.000 4.988 4.909 5.113 . 0 0 "[ . 1 . 2]" 1
632 1 41 VAL H 1 42 PRO QD 4.000 . 5.000 4.462 4.398 4.554 . 0 0 "[ . 1 . 2]" 1
633 1 41 VAL H 1 42 PRO HD3 4.000 . 6.000 5.035 4.908 5.335 . 0 0 "[ . 1 . 2]" 1
634 1 41 VAL HA 1 41 VAL MG1 3.000 . 3.500 2.399 2.352 2.461 . 0 0 "[ . 1 . 2]" 1
635 1 41 VAL HA 1 42 PRO HD2 3.000 . 3.500 2.407 2.170 2.702 . 0 0 "[ . 1 . 2]" 1
636 1 41 VAL HA 1 42 PRO QD 3.000 . 3.500 2.155 2.048 2.338 . 0 0 "[ . 1 . 2]" 1
637 1 41 VAL HA 1 42 PRO HD3 3.000 . 3.500 2.467 2.306 2.712 . 0 0 "[ . 1 . 2]" 1
638 1 41 VAL HA 1 42 PRO HG2 4.000 . 5.000 4.571 4.379 4.809 . 0 0 "[ . 1 . 2]" 1
639 1 41 VAL HA 1 42 PRO HG3 4.000 . 6.000 4.607 4.529 4.834 . 0 0 "[ . 1 . 2]" 1
640 1 41 VAL HB 1 42 PRO HD2 4.000 . 5.000 2.539 2.097 2.954 . 0 0 "[ . 1 . 2]" 1
641 1 41 VAL HB 1 42 PRO QD 3.000 . 3.500 2.507 2.079 2.905 . 0 0 "[ . 1 . 2]" 1
642 1 41 VAL HB 1 42 PRO HD3 4.000 . 5.000 3.888 3.425 4.296 . 0 0 "[ . 1 . 2]" 1
643 1 41 VAL HB 1 42 PRO HG2 4.000 . 5.000 4.265 3.752 4.565 . 0 0 "[ . 1 . 2]" 1
644 1 41 VAL MG1 1 42 PRO HD2 4.000 . 5.000 3.440 3.293 3.621 . 0 0 "[ . 1 . 2]" 1
645 1 41 VAL MG1 1 42 PRO HD3 4.000 . 5.000 4.195 3.905 4.405 . 0 0 "[ . 1 . 2]" 1
646 1 41 VAL MG2 1 42 PRO HA 4.000 . 5.000 4.485 4.278 4.684 . 0 0 "[ . 1 . 2]" 1
647 1 41 VAL MG2 1 42 PRO QD 4.000 . 5.000 3.763 3.422 3.997 . 0 0 "[ . 1 . 2]" 1
648 1 41 VAL MG2 1 42 PRO HG3 4.000 . 6.000 5.926 5.541 6.167 0.167 14 0 "[ . 1 . 2]" 1
649 1 42 PRO HA 1 43 LEU H 3.000 . 3.500 2.246 2.181 2.461 . 0 0 "[ . 1 . 2]" 1
650 1 42 PRO HB2 1 43 LEU H 4.000 . 5.000 3.367 2.652 3.853 . 0 0 "[ . 1 . 2]" 1
651 1 42 PRO HB2 1 44 GLU H 4.000 . 5.000 4.672 4.140 5.099 0.099 3 0 "[ . 1 . 2]" 1
652 1 42 PRO HB3 1 43 LEU H 4.000 . 5.000 3.944 3.577 4.273 . 0 0 "[ . 1 . 2]" 1
653 1 42 PRO HG2 1 43 LEU H 4.000 . 5.000 4.854 4.371 5.041 0.041 7 0 "[ . 1 . 2]" 1
654 1 42 PRO HG3 1 43 LEU H 4.000 . 6.000 5.582 5.129 5.821 . 0 0 "[ . 1 . 2]" 1
655 1 43 LEU H 1 43 LEU HB2 3.000 . 3.500 2.412 2.283 2.521 . 0 0 "[ . 1 . 2]" 1
656 1 43 LEU H 1 43 LEU HB3 4.000 . 5.000 3.590 2.870 3.663 . 0 0 "[ . 1 . 2]" 1
657 1 43 LEU H 1 43 LEU MD1 4.000 . 5.000 3.855 3.661 4.271 . 0 0 "[ . 1 . 2]" 1
658 1 43 LEU H 1 43 LEU MD2 4.000 . 5.000 3.707 3.371 4.388 . 0 0 "[ . 1 . 2]" 1
659 1 43 LEU H 1 43 LEU HG 4.000 . 5.000 2.812 2.436 4.317 . 0 0 "[ . 1 . 2]" 1
660 1 43 LEU H 1 44 GLU H 4.000 . 5.000 4.214 3.925 4.493 . 0 0 "[ . 1 . 2]" 1
661 1 43 LEU HA 1 43 LEU MD2 3.000 . 3.500 2.059 1.966 2.560 . 0 0 "[ . 1 . 2]" 1
662 1 43 LEU HA 1 43 LEU HG 4.000 . 5.000 3.036 2.627 3.192 . 0 0 "[ . 1 . 2]" 1
663 1 43 LEU HA 1 44 GLU H 3.000 . 3.500 2.197 2.115 2.301 . 0 0 "[ . 1 . 2]" 1
664 1 43 LEU HA 1 44 GLU HA 4.000 . 5.000 4.441 4.321 4.525 . 0 0 "[ . 1 . 2]" 1
665 1 43 LEU HB2 1 43 LEU MD1 3.000 . 3.500 2.374 2.345 2.401 . 0 0 "[ . 1 . 2]" 1
666 1 43 LEU HB2 1 44 GLU H 4.000 . 5.000 4.488 4.207 4.628 . 0 0 "[ . 1 . 2]" 1
667 1 43 LEU HB3 1 44 GLU H 4.000 . 5.000 3.872 3.230 4.337 . 0 0 "[ . 1 . 2]" 1
668 1 43 LEU MD2 1 44 GLU H 4.000 . 5.000 3.711 3.055 3.964 . 0 0 "[ . 1 . 2]" 1
669 1 44 GLU H 1 44 GLU HB2 4.000 . 5.000 3.080 2.452 3.926 . 0 0 "[ . 1 . 2]" 1
670 1 44 GLU H 1 44 GLU QB 3.000 . 3.500 2.682 2.416 3.212 . 0 0 "[ . 1 . 2]" 1
671 1 44 GLU H 1 44 GLU HB3 4.000 . 5.000 3.175 2.661 3.880 . 0 0 "[ . 1 . 2]" 1
672 1 44 GLU H 1 44 GLU QG 4.000 . 5.000 3.528 2.247 4.322 . 0 0 "[ . 1 . 2]" 1
673 1 44 GLU H 1 45 GLU H 4.000 . 5.000 3.589 2.574 4.436 . 0 0 "[ . 1 . 2]" 1
674 1 44 GLU HA 1 45 GLU H 2.000 . 2.700 2.381 2.145 2.960 0.260 1 0 "[ . 1 . 2]" 1
675 1 44 GLU HA 1 45 GLU HA 4.000 . 5.000 4.525 4.401 4.696 . 0 0 "[ . 1 . 2]" 1
676 1 44 GLU QG 1 45 GLU H 4.000 . 6.000 3.957 2.756 4.822 . 0 0 "[ . 1 . 2]" 1
677 1 45 GLU H 1 45 GLU HB2 4.000 . 5.000 2.858 2.331 3.887 . 0 0 "[ . 1 . 2]" 1
678 1 45 GLU H 1 45 GLU QB 3.000 . 3.500 2.593 2.219 3.303 . 0 0 "[ . 1 . 2]" 1
679 1 45 GLU H 1 45 GLU HB3 4.000 . 5.000 3.319 2.429 3.855 . 0 0 "[ . 1 . 2]" 1
680 1 45 GLU H 1 45 GLU QG 4.000 . 5.000 3.055 1.827 4.254 . 0 0 "[ . 1 . 2]" 1
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