NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
447016 |
2koe   |
16504 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2koe
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 730
_Distance_constraint_stats_list.Viol_count 1075
_Distance_constraint_stats_list.Viol_total 1329.464
_Distance_constraint_stats_list.Viol_max 0.384
_Distance_constraint_stats_list.Viol_rms 0.0257
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.0687
_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 THR 0.468 0.085 1 0 "[ . 1 . ]"
1 2 VAL 0.591 0.073 17 0 "[ . 1 . ]"
1 3 PHE 0.933 0.085 1 0 "[ . 1 . ]"
1 4 ALA 0.000 0.000 . 0 "[ . 1 . ]"
1 5 PHE 1.599 0.100 10 0 "[ . 1 . ]"
1 6 ALA 0.464 0.067 7 0 "[ . 1 . ]"
1 7 SER 2.618 0.139 5 0 "[ . 1 . ]"
1 8 MET 3.112 0.139 5 0 "[ . 1 . ]"
1 9 LEU 4.024 0.101 10 0 "[ . 1 . ]"
1 10 CYS 0.447 0.060 10 0 "[ . 1 . ]"
1 11 LEU 1.062 0.083 15 0 "[ . 1 . ]"
1 12 LEU 3.835 0.144 9 0 "[ . 1 . ]"
1 13 ASN 8.018 0.384 5 0 "[ . 1 . ]"
1 14 SER 5.056 0.384 5 0 "[ . 1 . ]"
1 15 THR 3.835 0.267 7 0 "[ . 1 . ]"
1 16 VAL 7.989 0.267 7 0 "[ . 1 . ]"
1 17 ASN 6.514 0.232 12 0 "[ . 1 . ]"
1 18 PRO 4.639 0.303 5 0 "[ . 1 . ]"
1 19 ILE 8.065 0.303 5 0 "[ . 1 . ]"
1 20 ILE 1.498 0.149 7 0 "[ . 1 . ]"
1 21 TYR 5.135 0.211 10 0 "[ . 1 . ]"
1 22 ALA 2.687 0.254 3 0 "[ . 1 . ]"
1 23 LEU 2.768 0.162 11 0 "[ . 1 . ]"
1 24 ARG 2.390 0.183 9 0 "[ . 1 . ]"
1 25 SER 1.512 0.175 9 0 "[ . 1 . ]"
1 26 LYS 5.124 0.183 13 0 "[ . 1 . ]"
1 27 ASP 3.407 0.183 9 0 "[ . 1 . ]"
1 28 LEU 1.313 0.180 4 0 "[ . 1 . ]"
1 29 ARG 4.696 0.183 13 0 "[ . 1 . ]"
1 30 HIS 5.748 0.211 10 0 "[ . 1 . ]"
1 31 ALA 0.409 0.171 18 0 "[ . 1 . ]"
1 32 PHE 11.039 0.359 5 0 "[ . 1 . ]"
1 33 ARG 6.319 0.251 3 0 "[ . 1 . ]"
1 34 SER 5.573 0.251 3 0 "[ . 1 . ]"
1 35 MET 6.475 0.359 5 0 "[ . 1 . ]"
1 36 PHE 3.493 0.205 11 0 "[ . 1 . ]"
1 37 PRO 7.084 0.346 10 0 "[ . 1 . ]"
1 38 SER 5.974 0.346 10 0 "[ . 1 . ]"
1 39 ALA 1.134 0.117 9 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 CYS HA 1 12 LEU H 4.000 . 6.000 5.377 4.604 6.057 0.057 10 0 "[ . 1 . ]" 1
2 1 10 CYS HB3 1 11 LEU HB3 4.000 . 6.000 5.843 5.209 6.052 0.052 18 0 "[ . 1 . ]" 1
3 1 10 CYS HB3 1 11 LEU HB2 4.000 . 6.000 4.709 3.944 5.298 . 0 0 "[ . 1 . ]" 1
4 1 10 CYS HB2 1 13 ASN H 4.000 . 6.000 5.771 5.303 6.060 0.060 10 0 "[ . 1 . ]" 1
5 1 10 CYS H 1 10 CYS HB3 4.000 . 6.000 3.302 2.408 3.628 . 0 0 "[ . 1 . ]" 1
6 1 10 CYS H 1 10 CYS HB2 4.000 . 6.000 2.388 2.118 2.757 . 0 0 "[ . 1 . ]" 1
7 1 11 LEU HB3 1 12 LEU QD 4.000 . 6.000 3.585 2.099 4.746 . 0 0 "[ . 1 . ]" 1
8 1 11 LEU HB3 1 12 LEU HG 4.000 . 6.000 4.164 3.136 5.636 . 0 0 "[ . 1 . ]" 1
9 1 11 LEU HB3 1 12 LEU H 4.000 . 6.000 2.299 1.851 3.055 . 0 0 "[ . 1 . ]" 1
10 1 11 LEU HB3 1 13 ASN H 4.000 . 6.000 4.717 4.337 5.396 . 0 0 "[ . 1 . ]" 1
11 1 11 LEU HB2 1 12 LEU QD 4.000 . 6.000 4.352 2.905 5.538 . 0 0 "[ . 1 . ]" 1
12 1 11 LEU HB2 1 12 LEU HG 4.000 . 6.000 5.170 3.515 6.044 0.044 4 0 "[ . 1 . ]" 1
13 1 11 LEU HB2 1 12 LEU H 4.000 . 6.000 2.825 1.942 3.647 . 0 0 "[ . 1 . ]" 1
14 1 11 LEU HB2 1 13 ASN H 4.000 . 6.000 4.939 4.354 5.415 . 0 0 "[ . 1 . ]" 1
15 1 11 LEU HA 1 11 LEU QD 4.000 . 6.000 2.357 2.088 2.922 . 0 0 "[ . 1 . ]" 1
16 1 9 LEU H 1 11 LEU QD 4.000 . 6.000 5.410 4.862 6.001 0.001 4 0 "[ . 1 . ]" 1
17 1 11 LEU HA 1 11 LEU HG 4.000 . 6.000 2.321 2.075 2.705 . 0 0 "[ . 1 . ]" 1
18 1 11 LEU HG 1 12 LEU H 4.000 . 6.000 4.376 3.716 4.876 . 0 0 "[ . 1 . ]" 1
19 1 11 LEU H 1 11 LEU QD 4.000 . 6.000 3.094 2.122 3.759 . 0 0 "[ . 1 . ]" 1
20 1 11 LEU H 1 11 LEU HG 4.000 . 6.000 3.950 2.552 4.508 . 0 0 "[ . 1 . ]" 1
21 1 11 LEU H 1 12 LEU H 4.000 . 6.000 2.948 2.694 3.222 . 0 0 "[ . 1 . ]" 1
22 1 8 MET HA 1 11 LEU H 4.000 . 6.000 3.555 3.200 3.791 . 0 0 "[ . 1 . ]" 1
23 1 12 LEU HA 1 12 LEU QD 4.000 . 6.000 2.147 1.819 3.254 . 0 0 "[ . 1 . ]" 1
24 1 12 LEU HA 1 13 ASN H 4.000 . 6.000 3.513 3.419 3.576 . 0 0 "[ . 1 . ]" 1
25 1 12 LEU HB3 1 13 ASN HB3 4.000 . 6.000 5.938 5.522 6.113 0.113 5 0 "[ . 1 . ]" 1
26 1 12 LEU HB3 1 13 ASN HB2 4.000 . 6.000 4.974 4.453 5.548 . 0 0 "[ . 1 . ]" 1
27 1 12 LEU HB3 1 14 SER H 4.000 . 6.000 5.741 4.922 6.100 0.100 17 0 "[ . 1 . ]" 1
28 1 12 LEU HB3 1 15 THR MG 4.000 . 6.000 5.073 3.921 6.020 0.020 2 0 "[ . 1 . ]" 1
29 1 12 LEU HB3 1 26 LYS HG2 4.000 . 6.000 5.261 4.560 6.115 0.115 17 0 "[ . 1 . ]" 1
30 1 12 LEU HB2 1 13 ASN HB3 4.000 . 6.000 5.753 5.236 6.086 0.086 5 0 "[ . 1 . ]" 1
31 1 12 LEU HB2 1 13 ASN HB2 4.000 . 6.000 4.662 4.205 5.186 . 0 0 "[ . 1 . ]" 1
32 1 12 LEU HB2 1 14 SER H 4.000 . 6.000 5.507 4.708 6.103 0.103 12 0 "[ . 1 . ]" 1
33 1 12 LEU HB2 1 15 THR MG 4.000 . 6.000 5.266 4.239 6.021 0.021 13 0 "[ . 1 . ]" 1
34 1 12 LEU QD 1 13 ASN H 4.000 . 6.000 3.982 2.564 4.305 . 0 0 "[ . 1 . ]" 1
35 1 12 LEU QD 1 17 ASN HD22 4.000 . 6.000 5.332 3.800 6.065 0.065 12 0 "[ . 1 . ]" 1
36 1 12 LEU QD 1 26 LYS HD2 4.000 . 6.000 2.728 2.382 3.495 . 0 0 "[ . 1 . ]" 1
37 1 12 LEU HA 1 12 LEU HG 4.000 . 6.000 2.758 2.267 3.647 . 0 0 "[ . 1 . ]" 1
38 1 11 LEU QB 1 12 LEU H 4.000 . 6.000 2.104 1.841 2.518 . 0 0 "[ . 1 . ]" 1
39 1 12 LEU H 1 12 LEU QD 4.000 . 6.000 2.859 1.793 3.506 0.007 4 0 "[ . 1 . ]" 1
40 1 12 LEU H 1 12 LEU HG 4.000 . 6.000 3.091 2.207 3.975 . 0 0 "[ . 1 . ]" 1
41 1 12 LEU H 1 13 ASN HA 4.000 . 6.000 5.387 5.184 5.535 . 0 0 "[ . 1 . ]" 1
42 1 12 LEU H 1 13 ASN HB3 4.000 . 6.000 5.639 5.081 6.144 0.144 9 0 "[ . 1 . ]" 1
43 1 12 LEU H 1 13 ASN HB2 4.000 . 6.000 4.929 4.533 5.251 . 0 0 "[ . 1 . ]" 1
44 1 12 LEU H 1 13 ASN H 4.000 . 6.000 2.781 2.547 3.004 . 0 0 "[ . 1 . ]" 1
45 1 12 LEU H 1 14 SER H 4.000 . 6.000 4.617 3.900 5.287 . 0 0 "[ . 1 . ]" 1
46 1 12 LEU H 1 16 VAL H 4.000 . 6.000 5.934 5.440 6.073 0.073 16 0 "[ . 1 . ]" 1
47 1 8 MET HA 1 12 LEU H 4.000 . 6.000 3.076 2.670 3.371 . 0 0 "[ . 1 . ]" 1
48 1 9 LEU HA 1 12 LEU H 4.000 . 6.000 4.165 3.429 4.750 . 0 0 "[ . 1 . ]" 1
49 1 13 ASN HA 1 13 ASN HD21 4.000 . 6.000 2.252 1.752 2.927 0.048 13 0 "[ . 1 . ]" 1
50 1 13 ASN HA 1 13 ASN HD22 4.000 . 6.000 3.446 3.170 3.903 . 0 0 "[ . 1 . ]" 1
51 1 13 ASN HA 1 14 SER H 4.000 . 6.000 3.532 3.448 3.569 . 0 0 "[ . 1 . ]" 1
52 1 13 ASN HA 1 16 VAL HB 4.000 . 6.000 5.904 5.091 6.210 0.210 17 0 "[ . 1 . ]" 1
53 1 13 ASN HA 1 16 VAL MG2 4.000 . 6.000 5.283 4.093 6.130 0.130 3 0 "[ . 1 . ]" 1
54 1 13 ASN HA 1 16 VAL H 4.000 . 6.000 4.086 3.243 5.314 . 0 0 "[ . 1 . ]" 1
55 1 13 ASN HA 1 17 ASN HD21 4.000 . 6.000 4.763 4.314 5.104 . 0 0 "[ . 1 . ]" 1
56 1 13 ASN HA 1 17 ASN H 4.000 . 6.000 4.399 3.039 4.856 . 0 0 "[ . 1 . ]" 1
57 1 13 ASN HA 1 18 PRO HG2 4.000 . 6.000 5.634 4.166 6.136 0.136 4 0 "[ . 1 . ]" 1
58 1 13 ASN HA 1 23 LEU MD1 4.000 . 6.000 5.090 3.379 5.881 . 0 0 "[ . 1 . ]" 1
59 1 13 ASN HA 1 23 LEU HG 4.000 . 6.000 4.927 3.332 5.900 . 0 0 "[ . 1 . ]" 1
60 1 13 ASN HB3 1 13 ASN HD22 4.000 . 6.000 4.091 4.048 4.127 . 0 0 "[ . 1 . ]" 1
61 1 13 ASN HB3 1 14 SER HB3 4.000 . 6.000 4.853 4.193 6.037 0.037 11 0 "[ . 1 . ]" 1
62 1 13 ASN HB3 1 14 SER H 4.000 . 6.000 2.538 1.865 3.721 . 0 0 "[ . 1 . ]" 1
63 1 13 ASN HB3 1 18 PRO HD3 4.000 . 6.000 4.509 2.694 5.514 . 0 0 "[ . 1 . ]" 1
64 1 13 ASN HB2 1 13 ASN HD22 4.000 . 6.000 3.714 3.563 3.888 . 0 0 "[ . 1 . ]" 1
65 1 13 ASN HB2 1 14 SER HB3 4.000 . 6.000 5.904 4.501 6.249 0.249 6 0 "[ . 1 . ]" 1
66 1 13 ASN HB2 1 14 SER H 4.000 . 6.000 3.234 2.281 3.773 . 0 0 "[ . 1 . ]" 1
67 1 13 ASN HB2 1 18 PRO HD3 4.000 . 6.000 5.181 4.061 5.816 . 0 0 "[ . 1 . ]" 1
68 1 13 ASN QB 1 14 SER H 4.000 . 6.000 2.306 1.856 3.017 . 0 0 "[ . 1 . ]" 1
69 1 13 ASN HD21 1 14 SER HA 4.000 . 6.000 6.128 5.989 6.384 0.384 5 0 "[ . 1 . ]" 1
70 1 13 ASN HD21 1 17 ASN HD22 4.000 . 6.000 4.348 3.404 5.960 . 0 0 "[ . 1 . ]" 1
71 1 13 ASN HD21 1 17 ASN H 4.000 . 6.000 5.801 5.090 6.067 0.067 7 0 "[ . 1 . ]" 1
72 1 13 ASN HD21 1 26 LYS HG2 4.000 . 6.000 5.436 4.305 6.137 0.137 13 0 "[ . 1 . ]" 1
73 1 13 ASN H 1 13 ASN HD22 4.000 . 6.000 5.136 3.835 5.882 . 0 0 "[ . 1 . ]" 1
74 1 13 ASN HD22 1 17 ASN HD22 4.000 . 6.000 4.755 3.605 5.817 . 0 0 "[ . 1 . ]" 1
75 1 13 ASN HD22 1 23 LEU MD1 4.000 . 6.000 2.770 1.791 4.014 0.009 3 0 "[ . 1 . ]" 1
76 1 9 LEU QD 1 13 ASN HD22 4.000 . 6.000 3.385 2.136 4.368 . 0 0 "[ . 1 . ]" 1
77 1 10 CYS H 1 13 ASN H 4.000 . 6.000 4.654 4.492 4.761 . 0 0 "[ . 1 . ]" 1
78 1 11 LEU HA 1 13 ASN H 4.000 . 6.000 4.323 3.758 4.875 . 0 0 "[ . 1 . ]" 1
79 1 12 LEU QB 1 13 ASN H 4.000 . 6.000 2.817 2.330 3.443 . 0 0 "[ . 1 . ]" 1
80 1 13 ASN H 1 13 ASN HB3 4.000 . 6.000 3.000 2.427 3.569 . 0 0 "[ . 1 . ]" 1
81 1 13 ASN H 1 13 ASN HB2 4.000 . 6.000 2.413 2.138 2.701 . 0 0 "[ . 1 . ]" 1
82 1 13 ASN H 1 13 ASN HD21 4.000 . 6.000 3.800 2.345 4.765 . 0 0 "[ . 1 . ]" 1
83 1 13 ASN H 1 14 SER H 4.000 . 6.000 2.648 2.422 2.900 . 0 0 "[ . 1 . ]" 1
84 1 13 ASN H 1 16 VAL H 4.000 . 6.000 4.876 4.287 5.749 . 0 0 "[ . 1 . ]" 1
85 1 9 LEU HA 1 13 ASN H 4.000 . 6.000 3.457 2.656 3.982 . 0 0 "[ . 1 . ]" 1
86 1 9 LEU H 1 13 ASN H 4.000 . 6.000 5.325 4.636 5.724 . 0 0 "[ . 1 . ]" 1
87 1 14 SER HA 1 15 THR MG 4.000 . 6.000 4.761 4.364 5.348 . 0 0 "[ . 1 . ]" 1
88 1 14 SER HA 1 15 THR H 4.000 . 6.000 3.393 3.009 3.573 . 0 0 "[ . 1 . ]" 1
89 1 14 SER HA 1 16 VAL H 4.000 . 6.000 5.052 4.223 6.082 0.082 2 0 "[ . 1 . ]" 1
90 1 14 SER HB3 1 15 THR H 4.000 . 6.000 3.685 2.652 4.624 . 0 0 "[ . 1 . ]" 1
91 1 14 SER H 1 14 SER HB3 4.000 . 6.000 2.973 2.405 3.651 . 0 0 "[ . 1 . ]" 1
92 1 14 SER H 1 14 SER HB2 4.000 . 6.000 2.776 2.093 3.631 . 0 0 "[ . 1 . ]" 1
93 1 14 SER H 1 15 THR HB 4.000 . 6.000 5.706 5.039 6.174 0.174 18 0 "[ . 1 . ]" 1
94 1 14 SER H 1 15 THR MG 4.000 . 6.000 3.944 3.299 4.546 . 0 0 "[ . 1 . ]" 1
95 1 14 SER H 1 15 THR H 4.000 . 6.000 2.754 2.455 3.226 . 0 0 "[ . 1 . ]" 1
96 1 15 THR HA 1 16 VAL HB 4.000 . 6.000 6.106 5.787 6.267 0.267 7 0 "[ . 1 . ]" 1
97 1 15 THR HA 1 16 VAL MG2 4.000 . 6.000 3.839 3.369 4.266 . 0 0 "[ . 1 . ]" 1
98 1 15 THR HA 1 16 VAL H 4.000 . 6.000 3.507 3.393 3.565 . 0 0 "[ . 1 . ]" 1
99 1 15 THR H 1 15 THR HB 4.000 . 6.000 3.278 2.512 3.794 . 0 0 "[ . 1 . ]" 1
100 1 15 THR HB 1 16 VAL MG1 4.000 . 6.000 5.037 4.225 6.071 0.071 3 0 "[ . 1 . ]" 1
101 1 15 THR HB 1 16 VAL MG2 4.000 . 6.000 3.154 2.076 4.110 . 0 0 "[ . 1 . ]" 1
102 1 15 THR HB 1 16 VAL H 4.000 . 6.000 3.465 2.379 4.406 . 0 0 "[ . 1 . ]" 1
103 1 15 THR MG 1 16 VAL HB 4.000 . 6.000 4.865 3.841 6.012 0.012 5 0 "[ . 1 . ]" 1
104 1 15 THR MG 1 16 VAL MG2 4.000 . 6.000 2.684 1.734 3.741 0.066 1 0 "[ . 1 . ]" 1
105 1 15 THR MG 1 16 VAL H 4.000 . 6.000 2.790 1.799 3.782 0.001 3 0 "[ . 1 . ]" 1
106 1 15 THR MG 1 17 ASN H 4.000 . 6.000 5.616 4.785 6.153 0.153 18 0 "[ . 1 . ]" 1
107 1 13 ASN HA 1 15 THR H 4.000 . 6.000 4.080 3.487 5.214 . 0 0 "[ . 1 . ]" 1
108 1 15 THR H 1 15 THR MG 4.000 . 6.000 2.340 1.784 3.079 0.016 11 0 "[ . 1 . ]" 1
109 1 15 THR H 1 16 VAL H 4.000 . 6.000 2.582 1.914 2.962 . 0 0 "[ . 1 . ]" 1
110 1 16 VAL HA 1 17 ASN HD21 4.000 . 6.000 6.046 5.676 6.115 0.115 2 0 "[ . 1 . ]" 1
111 1 16 VAL HA 1 19 ILE HB 4.000 . 6.000 5.132 4.633 5.988 . 0 0 "[ . 1 . ]" 1
112 1 16 VAL HA 1 20 ILE H 4.000 . 6.000 5.950 5.546 6.111 0.111 13 0 "[ . 1 . ]" 1
113 1 16 VAL HB 1 17 ASN HA 4.000 . 6.000 4.315 3.906 4.715 . 0 0 "[ . 1 . ]" 1
114 1 16 VAL HB 1 17 ASN H 4.000 . 6.000 4.132 3.681 4.395 . 0 0 "[ . 1 . ]" 1
115 1 16 VAL HB 1 18 PRO HD3 4.000 . 6.000 6.075 6.036 6.120 0.120 18 0 "[ . 1 . ]" 1
116 1 16 VAL HB 1 26 LYS HD3 4.000 . 6.000 5.463 2.973 6.026 0.026 6 0 "[ . 1 . ]" 1
117 1 16 VAL HB 1 26 LYS HD2 4.000 . 6.000 5.525 4.378 6.019 0.019 5 0 "[ . 1 . ]" 1
118 1 16 VAL HB 1 26 LYS HG2 4.000 . 6.000 5.868 4.616 6.107 0.107 12 0 "[ . 1 . ]" 1
119 1 16 VAL HB 1 29 ARG HD3 4.000 . 6.000 5.361 3.604 6.080 0.080 8 0 "[ . 1 . ]" 1
120 1 16 VAL H 1 16 VAL MG1 4.000 . 6.000 3.821 3.656 3.980 . 0 0 "[ . 1 . ]" 1
121 1 16 VAL MG1 1 17 ASN H 4.000 . 6.000 3.818 3.639 4.022 . 0 0 "[ . 1 . ]" 1
122 1 16 VAL H 1 16 VAL MG2 4.000 . 6.000 2.223 1.832 2.468 . 0 0 "[ . 1 . ]" 1
123 1 16 VAL MG2 1 17 ASN HA 4.000 . 6.000 5.194 4.689 5.591 . 0 0 "[ . 1 . ]" 1
124 1 16 VAL MG2 1 17 ASN H 4.000 . 6.000 4.402 4.331 4.458 . 0 0 "[ . 1 . ]" 1
125 1 16 VAL MG2 1 26 LYS HE3 4.000 . 6.000 4.699 3.902 5.491 . 0 0 "[ . 1 . ]" 1
126 1 16 VAL MG2 1 26 LYS HE2 4.000 . 6.000 4.174 3.132 5.382 . 0 0 "[ . 1 . ]" 1
127 1 16 VAL H 1 16 VAL HB 4.000 . 6.000 3.372 2.777 3.885 . 0 0 "[ . 1 . ]" 1
128 1 16 VAL H 1 17 ASN H 4.000 . 6.000 3.624 3.241 3.932 . 0 0 "[ . 1 . ]" 1
129 1 16 VAL H 1 18 PRO HD3 4.000 . 6.000 4.439 4.030 4.973 . 0 0 "[ . 1 . ]" 1
130 1 17 ASN HA 1 17 ASN HD21 4.000 . 6.000 1.804 1.757 1.949 0.043 8 0 "[ . 1 . ]" 1
131 1 17 ASN HA 1 17 ASN HD22 4.000 . 6.000 3.127 3.060 3.231 . 0 0 "[ . 1 . ]" 1
132 1 17 ASN HA 1 18 PRO HG3 4.000 . 6.000 5.770 5.666 5.843 . 0 0 "[ . 1 . ]" 1
133 1 17 ASN HA 1 19 ILE HA 4.000 . 6.000 6.144 6.010 6.205 0.205 2 0 "[ . 1 . ]" 1
134 1 17 ASN HA 1 19 ILE HB 4.000 . 6.000 4.850 4.413 5.625 . 0 0 "[ . 1 . ]" 1
135 1 17 ASN HA 1 20 ILE H 4.000 . 6.000 4.109 3.416 5.508 . 0 0 "[ . 1 . ]" 1
136 1 17 ASN HA 1 21 TYR H 4.000 . 6.000 3.823 3.185 4.415 . 0 0 "[ . 1 . ]" 1
137 1 17 ASN HB3 1 18 PRO HG3 4.000 . 6.000 3.843 3.595 4.335 . 0 0 "[ . 1 . ]" 1
138 1 17 ASN HB2 1 18 PRO HG3 4.000 . 6.000 4.632 4.064 5.306 . 0 0 "[ . 1 . ]" 1
139 1 17 ASN H 1 17 ASN HD21 4.000 . 6.000 4.464 4.223 4.631 . 0 0 "[ . 1 . ]" 1
140 1 17 ASN HD21 1 19 ILE HB 4.000 . 6.000 5.909 5.405 6.232 0.232 12 0 "[ . 1 . ]" 1
141 1 17 ASN HD21 1 20 ILE MD 4.000 . 6.000 5.828 5.294 6.149 0.149 7 0 "[ . 1 . ]" 1
142 1 17 ASN HD21 1 21 TYR HA 4.000 . 6.000 4.383 3.913 5.174 . 0 0 "[ . 1 . ]" 1
143 1 17 ASN HD21 1 21 TYR HB3 4.000 . 6.000 4.293 3.142 5.564 . 0 0 "[ . 1 . ]" 1
144 1 17 ASN HD21 1 21 TYR HB2 4.000 . 6.000 2.863 2.029 4.047 . 0 0 "[ . 1 . ]" 1
145 1 17 ASN HD21 1 23 LEU MD1 4.000 . 6.000 4.960 3.089 5.692 . 0 0 "[ . 1 . ]" 1
146 1 17 ASN HD21 1 23 LEU HG 4.000 . 6.000 4.248 3.305 5.256 . 0 0 "[ . 1 . ]" 1
147 1 17 ASN HD21 1 23 LEU H 4.000 . 6.000 3.658 1.771 4.764 0.029 3 0 "[ . 1 . ]" 1
148 1 17 ASN HD21 1 26 LYS HG3 4.000 . 6.000 4.150 3.168 6.059 0.059 13 0 "[ . 1 . ]" 1
149 1 17 ASN HD22 1 19 ILE MD 4.000 . 6.000 5.912 5.563 6.138 0.138 11 0 "[ . 1 . ]" 1
150 1 17 ASN HD22 1 21 TYR HB3 4.000 . 6.000 4.052 2.805 5.591 . 0 0 "[ . 1 . ]" 1
151 1 17 ASN HD22 1 21 TYR HB2 4.000 . 6.000 2.927 1.962 4.726 . 0 0 "[ . 1 . ]" 1
152 1 17 ASN HD22 1 23 LEU HG 4.000 . 6.000 3.418 1.925 4.316 . 0 0 "[ . 1 . ]" 1
153 1 17 ASN HD22 1 26 LYS HG3 4.000 . 6.000 2.746 1.754 5.068 0.046 1 0 "[ . 1 . ]" 1
154 1 16 VAL HA 1 17 ASN H 4.000 . 6.000 2.327 2.189 2.522 . 0 0 "[ . 1 . ]" 1
155 1 17 ASN H 1 17 ASN HB3 4.000 . 6.000 3.567 3.006 3.836 . 0 0 "[ . 1 . ]" 1
156 1 17 ASN H 1 17 ASN HB2 4.000 . 6.000 3.069 2.846 3.361 . 0 0 "[ . 1 . ]" 1
157 1 17 ASN H 1 17 ASN HD22 4.000 . 6.000 5.764 5.529 5.817 . 0 0 "[ . 1 . ]" 1
158 1 17 ASN H 1 20 ILE H 4.000 . 6.000 5.004 4.142 5.932 . 0 0 "[ . 1 . ]" 1
159 1 17 ASN H 1 21 TYR QD 4.000 . 6.000 4.340 3.426 5.590 . 0 0 "[ . 1 . ]" 1
160 1 18 PRO HA 1 18 PRO HD3 4.000 . 6.000 3.725 3.594 3.799 . 0 0 "[ . 1 . ]" 1
161 1 18 PRO HA 1 18 PRO HG3 4.000 . 6.000 3.266 3.078 3.515 . 0 0 "[ . 1 . ]" 1
162 1 18 PRO HA 1 18 PRO HG2 4.000 . 6.000 4.004 3.948 4.061 . 0 0 "[ . 1 . ]" 1
163 1 18 PRO HA 1 19 ILE HB 4.000 . 6.000 5.908 5.593 6.303 0.303 5 0 "[ . 1 . ]" 1
164 1 18 PRO HA 1 19 ILE MD 4.000 . 6.000 4.731 3.851 5.340 . 0 0 "[ . 1 . ]" 1
165 1 18 PRO HB3 1 19 ILE MD 4.000 . 6.000 5.269 4.205 6.043 0.043 12 0 "[ . 1 . ]" 1
166 1 18 PRO HB2 1 19 ILE HB 4.000 . 6.000 5.870 5.573 6.101 0.101 17 0 "[ . 1 . ]" 1
167 1 18 PRO HB2 1 19 ILE MD 4.000 . 6.000 4.146 2.964 5.084 . 0 0 "[ . 1 . ]" 1
168 1 18 PRO HA 1 18 PRO HD2 4.000 . 6.000 3.965 3.939 3.997 . 0 0 "[ . 1 . ]" 1
169 1 18 PRO HD2 1 19 ILE H 4.000 . 6.000 3.376 2.878 4.066 . 0 0 "[ . 1 . ]" 1
170 1 18 PRO HG2 1 19 ILE HA 4.000 . 6.000 6.101 6.042 6.164 0.164 17 0 "[ . 1 . ]" 1
171 1 19 ILE HA 1 19 ILE MD 4.000 . 6.000 3.692 2.731 4.101 . 0 0 "[ . 1 . ]" 1
172 1 19 ILE HA 1 19 ILE HG13 4.000 . 6.000 3.024 2.533 4.225 . 0 0 "[ . 1 . ]" 1
173 1 19 ILE HA 1 20 ILE H 4.000 . 6.000 3.533 3.237 3.597 . 0 0 "[ . 1 . ]" 1
174 1 19 ILE HB 1 20 ILE HG13 4.000 . 6.000 2.999 2.169 4.339 . 0 0 "[ . 1 . ]" 1
175 1 19 ILE HB 1 20 ILE H 4.000 . 6.000 1.983 1.738 2.501 0.062 12 0 "[ . 1 . ]" 1
176 1 19 ILE QG 1 21 TYR QE 4.000 . 6.000 4.530 2.950 6.028 0.028 1 0 "[ . 1 . ]" 1
177 1 18 PRO HG3 1 19 ILE H 4.000 . 6.000 4.990 4.701 5.335 . 0 0 "[ . 1 . ]" 1
178 1 19 ILE H 1 19 ILE HB 4.000 . 6.000 2.973 2.701 3.715 . 0 0 "[ . 1 . ]" 1
179 1 19 ILE H 1 19 ILE MD 4.000 . 6.000 2.466 1.747 3.781 0.053 11 0 "[ . 1 . ]" 1
180 1 19 ILE H 1 19 ILE QG 4.000 . 6.000 2.247 1.745 3.079 0.055 5 0 "[ . 1 . ]" 1
181 1 19 ILE H 1 20 ILE H 4.000 . 6.000 2.847 2.224 3.780 . 0 0 "[ . 1 . ]" 1
182 1 19 ILE H 1 21 TYR QD 4.000 . 6.000 4.731 3.915 5.530 . 0 0 "[ . 1 . ]" 1
183 1 19 ILE H 1 21 TYR H 4.000 . 6.000 4.264 3.493 4.824 . 0 0 "[ . 1 . ]" 1
184 1 1 THR HA 1 2 VAL H 4.000 . 6.000 2.707 2.285 3.175 . 0 0 "[ . 1 . ]" 1
185 1 1 THR HA 1 3 PHE HB3 4.000 . 6.000 5.193 4.105 6.059 0.059 4 0 "[ . 1 . ]" 1
186 1 1 THR HA 1 3 PHE HB2 4.000 . 6.000 5.080 3.980 6.077 0.077 16 0 "[ . 1 . ]" 1
187 1 1 THR HA 1 3 PHE QD 4.000 . 6.000 3.982 2.125 6.085 0.085 1 0 "[ . 1 . ]" 1
188 1 1 THR HA 1 3 PHE H 4.000 . 6.000 3.400 3.194 3.752 . 0 0 "[ . 1 . ]" 1
189 1 1 THR HA 1 4 ALA H 4.000 . 6.000 3.861 3.259 4.471 . 0 0 "[ . 1 . ]" 1
190 1 1 THR HB 1 2 VAL H 4.000 . 6.000 4.243 3.848 4.437 . 0 0 "[ . 1 . ]" 1
191 1 1 THR HB 1 4 ALA MB 4.000 . 6.000 2.573 2.112 4.597 . 0 0 "[ . 1 . ]" 1
192 1 1 THR MG 1 2 VAL HA 4.000 . 6.000 5.281 4.758 5.685 . 0 0 "[ . 1 . ]" 1
193 1 1 THR MG 1 2 VAL H 4.000 . 6.000 4.219 3.705 4.445 . 0 0 "[ . 1 . ]" 1
194 1 1 THR MG 1 3 PHE HA 4.000 . 6.000 5.436 4.407 6.026 0.026 14 0 "[ . 1 . ]" 1
195 1 1 THR MG 1 3 PHE QD 4.000 . 6.000 3.064 1.917 5.560 . 0 0 "[ . 1 . ]" 1
196 1 1 THR MG 1 3 PHE H 4.000 . 6.000 3.847 2.879 4.409 . 0 0 "[ . 1 . ]" 1
197 1 1 THR MG 1 4 ALA MB 4.000 . 6.000 2.557 1.827 3.775 . 0 0 "[ . 1 . ]" 1
198 1 1 THR MG 1 4 ALA H 4.000 . 6.000 2.859 1.924 3.887 . 0 0 "[ . 1 . ]" 1
199 1 20 ILE HA 1 20 ILE MD 4.000 . 6.000 3.739 3.483 4.124 . 0 0 "[ . 1 . ]" 1
200 1 20 ILE HA 1 21 TYR H 4.000 . 6.000 3.552 3.385 3.613 . 0 0 "[ . 1 . ]" 1
201 1 20 ILE HB 1 21 TYR HB3 4.000 . 6.000 5.187 4.439 6.124 0.124 13 0 "[ . 1 . ]" 1
202 1 20 ILE HB 1 21 TYR HB2 4.000 . 6.000 5.430 4.787 6.031 0.031 3 0 "[ . 1 . ]" 1
203 1 20 ILE MD 1 21 TYR H 4.000 . 6.000 2.680 1.824 3.424 . 0 0 "[ . 1 . ]" 1
204 1 20 ILE HG13 1 21 TYR H 4.000 . 6.000 3.609 1.861 4.250 . 0 0 "[ . 1 . ]" 1
205 1 19 ILE MD 1 20 ILE H 4.000 . 6.000 3.220 2.815 3.787 . 0 0 "[ . 1 . ]" 1
206 1 20 ILE H 1 20 ILE HB 4.000 . 6.000 3.254 2.765 3.839 . 0 0 "[ . 1 . ]" 1
207 1 20 ILE H 1 20 ILE MD 4.000 . 6.000 2.397 1.798 3.920 0.002 13 0 "[ . 1 . ]" 1
208 1 20 ILE H 1 20 ILE HG13 4.000 . 6.000 2.705 1.894 3.744 . 0 0 "[ . 1 . ]" 1
209 1 20 ILE H 1 20 ILE QG 4.000 . 6.000 2.483 1.823 2.927 . 0 0 "[ . 1 . ]" 1
210 1 20 ILE H 1 21 TYR HA 4.000 . 6.000 4.763 4.446 5.141 . 0 0 "[ . 1 . ]" 1
211 1 20 ILE H 1 21 TYR HB3 4.000 . 6.000 5.565 5.156 5.996 . 0 0 "[ . 1 . ]" 1
212 1 20 ILE H 1 21 TYR HB2 4.000 . 6.000 4.793 4.008 5.459 . 0 0 "[ . 1 . ]" 1
213 1 20 ILE H 1 21 TYR QD 4.000 . 6.000 3.767 2.739 4.229 . 0 0 "[ . 1 . ]" 1
214 1 20 ILE H 1 21 TYR H 4.000 . 6.000 2.183 1.777 2.526 0.023 3 0 "[ . 1 . ]" 1
215 1 20 ILE H 1 22 ALA H 4.000 . 6.000 3.599 2.930 4.667 . 0 0 "[ . 1 . ]" 1
216 1 21 TYR HA 1 21 TYR QD 4.000 . 6.000 2.911 2.177 3.547 . 0 0 "[ . 1 . ]" 1
217 1 21 TYR HA 1 21 TYR QE 4.000 . 6.000 4.951 4.240 5.437 . 0 0 "[ . 1 . ]" 1
218 1 21 TYR HA 1 22 ALA H 4.000 . 6.000 3.071 2.582 3.534 . 0 0 "[ . 1 . ]" 1
219 1 21 TYR HA 1 26 LYS HE3 4.000 . 6.000 5.090 4.607 6.075 0.075 3 0 "[ . 1 . ]" 1
220 1 21 TYR HA 1 26 LYS HE2 4.000 . 6.000 6.073 5.739 6.162 0.162 2 0 "[ . 1 . ]" 1
221 1 21 TYR HA 1 26 LYS HG2 4.000 . 6.000 4.340 3.328 5.262 . 0 0 "[ . 1 . ]" 1
222 1 21 TYR HA 1 26 LYS H 4.000 . 6.000 4.204 3.348 5.485 . 0 0 "[ . 1 . ]" 1
223 1 21 TYR HB3 1 26 LYS HD2 4.000 . 6.000 5.002 3.611 5.856 . 0 0 "[ . 1 . ]" 1
224 1 21 TYR HB3 1 30 HIS HD2 4.000 . 6.000 5.610 4.644 6.100 0.100 6 0 "[ . 1 . ]" 1
225 1 21 TYR HB2 1 26 LYS HD2 4.000 . 6.000 4.566 4.038 5.315 . 0 0 "[ . 1 . ]" 1
226 1 21 TYR HB2 1 30 HIS HD2 4.000 . 6.000 6.119 6.014 6.211 0.211 10 0 "[ . 1 . ]" 1
227 1 21 TYR QB 1 21 TYR QE 4.000 . 6.000 3.970 3.952 4.007 . 0 0 "[ . 1 . ]" 1
228 1 21 TYR QB 1 22 ALA H 4.000 . 6.000 3.648 2.851 3.991 . 0 0 "[ . 1 . ]" 1
229 1 21 TYR QB 1 23 LEU H 4.000 . 6.000 4.231 3.409 4.819 . 0 0 "[ . 1 . ]" 1
230 1 19 ILE MD 1 21 TYR QD 4.000 . 6.000 3.556 2.351 5.065 . 0 0 "[ . 1 . ]" 1
231 1 19 ILE MD 1 21 TYR QE 4.000 . 6.000 3.166 1.992 5.849 . 0 0 "[ . 1 . ]" 1
232 1 21 TYR QE 1 29 ARG HA 4.000 . 6.000 4.615 3.219 6.048 0.048 5 0 "[ . 1 . ]" 1
233 1 19 ILE HA 1 21 TYR H 4.000 . 6.000 5.586 4.585 6.031 0.031 18 0 "[ . 1 . ]" 1
234 1 20 ILE HB 1 21 TYR H 4.000 . 6.000 2.676 1.956 3.528 . 0 0 "[ . 1 . ]" 1
235 1 21 TYR H 1 21 TYR QD 4.000 . 6.000 2.597 1.844 2.873 . 0 0 "[ . 1 . ]" 1
236 1 21 TYR H 1 21 TYR QE 4.000 . 6.000 3.730 3.502 4.626 . 0 0 "[ . 1 . ]" 1
237 1 21 TYR H 1 23 LEU H 4.000 . 6.000 5.886 5.351 6.121 0.121 7 0 "[ . 1 . ]" 1
238 1 22 ALA HA 1 24 ARG H 4.000 . 6.000 5.146 4.145 6.016 0.016 2 0 "[ . 1 . ]" 1
239 1 19 ILE HA 1 22 ALA H 4.000 . 6.000 5.932 5.414 6.254 0.254 3 0 "[ . 1 . ]" 1
240 1 19 ILE H 1 22 ALA H 4.000 . 6.000 4.316 3.256 5.017 . 0 0 "[ . 1 . ]" 1
241 1 20 ILE MD 1 22 ALA H 4.000 . 6.000 4.967 4.258 5.680 . 0 0 "[ . 1 . ]" 1
242 1 21 TYR QD 1 22 ALA H 4.000 . 6.000 4.412 3.857 4.861 . 0 0 "[ . 1 . ]" 1
243 1 22 ALA H 1 23 LEU HG 4.000 . 6.000 6.031 5.644 6.162 0.162 11 0 "[ . 1 . ]" 1
244 1 22 ALA H 1 23 LEU H 4.000 . 6.000 3.837 3.134 4.286 . 0 0 "[ . 1 . ]" 1
245 1 22 ALA H 1 24 ARG H 4.000 . 6.000 5.626 4.185 6.127 0.127 10 0 "[ . 1 . ]" 1
246 1 23 LEU HA 1 23 LEU MD1 4.000 . 6.000 3.673 3.425 3.890 . 0 0 "[ . 1 . ]" 1
247 1 23 LEU HA 1 23 LEU HG 4.000 . 6.000 2.357 2.107 2.892 . 0 0 "[ . 1 . ]" 1
248 1 23 LEU H 1 23 LEU HB3 4.000 . 6.000 3.902 3.750 4.111 . 0 0 "[ . 1 . ]" 1
249 1 23 LEU MD1 1 24 ARG H 4.000 . 6.000 4.264 3.391 5.125 . 0 0 "[ . 1 . ]" 1
250 1 23 LEU HA 1 23 LEU MD2 4.000 . 6.000 2.519 2.005 3.319 . 0 0 "[ . 1 . ]" 1
251 1 23 LEU H 1 23 LEU MD2 4.000 . 6.000 4.339 3.401 4.756 . 0 0 "[ . 1 . ]" 1
252 1 23 LEU MD2 1 24 ARG H 4.000 . 6.000 4.422 3.837 5.049 . 0 0 "[ . 1 . ]" 1
253 1 23 LEU H 1 23 LEU HG 4.000 . 6.000 3.670 2.204 4.345 . 0 0 "[ . 1 . ]" 1
254 1 23 LEU HG 1 24 ARG H 4.000 . 6.000 4.646 4.123 5.023 . 0 0 "[ . 1 . ]" 1
255 1 23 LEU HG 1 26 LYS HG3 4.000 . 6.000 4.137 3.053 5.394 . 0 0 "[ . 1 . ]" 1
256 1 23 LEU HG 1 26 LYS H 4.000 . 6.000 5.655 4.987 6.065 0.065 5 0 "[ . 1 . ]" 1
257 1 22 ALA HA 1 23 LEU H 4.000 . 6.000 3.228 2.239 3.583 . 0 0 "[ . 1 . ]" 1
258 1 23 LEU H 1 23 LEU HB2 4.000 . 6.000 3.221 2.824 3.676 . 0 0 "[ . 1 . ]" 1
259 1 23 LEU H 1 23 LEU MD1 4.000 . 6.000 4.179 2.912 4.897 . 0 0 "[ . 1 . ]" 1
260 1 23 LEU H 1 24 ARG HG2 4.000 . 6.000 4.937 3.340 6.065 0.065 13 0 "[ . 1 . ]" 1
261 1 23 LEU H 1 24 ARG H 4.000 . 6.000 2.625 1.809 4.188 . 0 0 "[ . 1 . ]" 1
262 1 23 LEU H 1 25 SER H 4.000 . 6.000 3.586 2.170 5.612 . 0 0 "[ . 1 . ]" 1
263 1 23 LEU H 1 26 LYS HB2 4.000 . 6.000 3.991 2.777 5.111 . 0 0 "[ . 1 . ]" 1
264 1 23 LEU H 1 26 LYS HG3 4.000 . 6.000 4.481 2.790 5.979 . 0 0 "[ . 1 . ]" 1
265 1 23 LEU H 1 27 ASP H 4.000 . 6.000 5.954 5.681 6.134 0.134 1 0 "[ . 1 . ]" 1
266 1 24 ARG HA 1 24 ARG HG3 4.000 . 6.000 3.354 1.979 4.224 . 0 0 "[ . 1 . ]" 1
267 1 24 ARG HA 1 24 ARG HG2 4.000 . 6.000 3.455 2.051 4.183 . 0 0 "[ . 1 . ]" 1
268 1 24 ARG HB3 1 24 ARG HD3 4.000 . 6.000 3.359 1.941 4.183 . 0 0 "[ . 1 . ]" 1
269 1 24 ARG HB3 1 24 ARG HD2 4.000 . 6.000 3.318 2.231 4.234 . 0 0 "[ . 1 . ]" 1
270 1 24 ARG HB2 1 24 ARG HD3 4.000 . 6.000 3.119 1.970 4.217 . 0 0 "[ . 1 . ]" 1
271 1 24 ARG HB2 1 24 ARG HD2 4.000 . 6.000 3.229 2.228 3.943 . 0 0 "[ . 1 . ]" 1
272 1 24 ARG HB2 1 25 SER HB3 4.000 . 6.000 5.192 3.676 6.076 0.076 1 0 "[ . 1 . ]" 1
273 1 24 ARG HA 1 24 ARG QD 4.000 . 6.000 3.858 2.112 4.616 . 0 0 "[ . 1 . ]" 1
274 1 24 ARG H 1 24 ARG QD 4.000 . 6.000 3.776 2.150 4.822 . 0 0 "[ . 1 . ]" 1
275 1 24 ARG HG3 1 25 SER HB3 4.000 . 6.000 4.686 3.464 6.175 0.175 9 0 "[ . 1 . ]" 1
276 1 24 ARG HG2 1 25 SER HB3 4.000 . 6.000 5.189 3.108 6.065 0.065 5 0 "[ . 1 . ]" 1
277 1 24 ARG H 1 24 ARG QG 4.000 . 6.000 2.692 1.767 4.261 0.033 11 0 "[ . 1 . ]" 1
278 1 24 ARG H 1 24 ARG HB3 4.000 . 6.000 2.925 2.371 3.633 . 0 0 "[ . 1 . ]" 1
279 1 24 ARG H 1 24 ARG HB2 4.000 . 6.000 3.146 2.096 3.654 . 0 0 "[ . 1 . ]" 1
280 1 24 ARG H 1 24 ARG HD3 4.000 . 6.000 4.348 2.835 6.008 0.008 1 0 "[ . 1 . ]" 1
281 1 24 ARG H 1 24 ARG HD2 4.000 . 6.000 4.374 2.167 5.924 . 0 0 "[ . 1 . ]" 1
282 1 24 ARG H 1 24 ARG HG3 4.000 . 6.000 3.264 1.789 4.715 0.011 10 0 "[ . 1 . ]" 1
283 1 24 ARG H 1 24 ARG HG2 4.000 . 6.000 3.112 1.843 4.857 . 0 0 "[ . 1 . ]" 1
284 1 24 ARG H 1 25 SER H 4.000 . 6.000 3.057 2.441 4.606 . 0 0 "[ . 1 . ]" 1
285 1 24 ARG H 1 26 LYS H 4.000 . 6.000 3.842 2.414 4.431 . 0 0 "[ . 1 . ]" 1
286 1 24 ARG H 1 27 ASP H 4.000 . 6.000 5.936 4.937 6.183 0.183 9 0 "[ . 1 . ]" 1
287 1 25 SER HB3 1 26 LYS H 4.000 . 6.000 4.508 3.933 4.668 . 0 0 "[ . 1 . ]" 1
288 1 25 SER HB3 1 27 ASP H 4.000 . 6.000 5.666 5.181 5.975 . 0 0 "[ . 1 . ]" 1
289 1 25 SER HB3 1 28 LEU HB3 4.000 . 6.000 4.940 3.368 5.970 . 0 0 "[ . 1 . ]" 1
290 1 25 SER HB2 1 26 LYS H 4.000 . 6.000 4.032 3.518 4.493 . 0 0 "[ . 1 . ]" 1
291 1 25 SER HB2 1 27 ASP HB3 4.000 . 6.000 6.015 5.798 6.143 0.143 6 0 "[ . 1 . ]" 1
292 1 25 SER HB2 1 28 LEU HB2 4.000 . 6.000 3.741 2.803 5.300 . 0 0 "[ . 1 . ]" 1
293 1 25 SER HB2 1 28 LEU HG 4.000 . 6.000 5.567 4.158 6.047 0.047 5 0 "[ . 1 . ]" 1
294 1 25 SER H 1 25 SER HB3 4.000 . 6.000 3.228 2.726 3.738 . 0 0 "[ . 1 . ]" 1
295 1 25 SER H 1 25 SER HB2 4.000 . 6.000 3.501 2.715 4.123 . 0 0 "[ . 1 . ]" 1
296 1 25 SER H 1 26 LYS H 4.000 . 6.000 2.493 1.770 3.183 0.030 11 0 "[ . 1 . ]" 1
297 1 26 LYS HA 1 27 ASP HB3 4.000 . 6.000 5.702 5.388 5.968 . 0 0 "[ . 1 . ]" 1
298 1 26 LYS HA 1 28 LEU H 4.000 . 6.000 4.430 3.787 5.290 . 0 0 "[ . 1 . ]" 1
299 1 26 LYS HB3 1 26 LYS HD3 4.000 . 6.000 2.763 2.307 3.488 . 0 0 "[ . 1 . ]" 1
300 1 26 LYS HB3 1 27 ASP HB3 4.000 . 6.000 5.497 4.956 6.087 0.087 13 0 "[ . 1 . ]" 1
301 1 26 LYS HB3 1 27 ASP H 4.000 . 6.000 3.058 2.552 3.964 . 0 0 "[ . 1 . ]" 1
302 1 26 LYS HB2 1 26 LYS HD3 4.000 . 6.000 3.461 2.126 3.741 . 0 0 "[ . 1 . ]" 1
303 1 26 LYS HB2 1 27 ASP HB3 4.000 . 6.000 5.748 5.149 6.129 0.129 5 0 "[ . 1 . ]" 1
304 1 26 LYS HB2 1 27 ASP H 4.000 . 6.000 3.178 2.834 4.140 . 0 0 "[ . 1 . ]" 1
305 1 26 LYS QB 1 26 LYS QE 4.000 . 6.000 3.670 2.897 3.810 . 0 0 "[ . 1 . ]" 1
306 1 26 LYS HA 1 26 LYS HD3 4.000 . 6.000 2.377 1.834 4.057 . 0 0 "[ . 1 . ]" 1
307 1 26 LYS H 1 26 LYS HD3 4.000 . 6.000 4.600 4.314 4.853 . 0 0 "[ . 1 . ]" 1
308 1 26 LYS HD3 1 27 ASP H 4.000 . 6.000 4.570 3.811 5.175 . 0 0 "[ . 1 . ]" 1
309 1 26 LYS HD3 1 28 LEU H 4.000 . 6.000 5.852 5.221 6.031 0.031 16 0 "[ . 1 . ]" 1
310 1 26 LYS HD3 1 29 ARG HB3 4.000 . 6.000 2.664 1.944 4.393 . 0 0 "[ . 1 . ]" 1
311 1 26 LYS HA 1 26 LYS HD2 4.000 . 6.000 3.682 3.148 4.500 . 0 0 "[ . 1 . ]" 1
312 1 26 LYS H 1 26 LYS HD2 4.000 . 6.000 5.303 4.283 5.628 . 0 0 "[ . 1 . ]" 1
313 1 26 LYS HD2 1 29 ARG HD3 4.000 . 6.000 5.749 4.888 6.050 0.050 16 0 "[ . 1 . ]" 1
314 1 26 LYS HA 1 26 LYS QE 4.000 . 6.000 3.359 2.574 5.396 . 0 0 "[ . 1 . ]" 1
315 1 26 LYS H 1 26 LYS QE 4.000 . 6.000 5.052 4.671 5.359 . 0 0 "[ . 1 . ]" 1
316 1 26 LYS HA 1 26 LYS HG3 4.000 . 6.000 3.539 3.446 3.644 . 0 0 "[ . 1 . ]" 1
317 1 26 LYS HE3 1 26 LYS HG3 4.000 . 6.000 3.069 2.696 3.826 . 0 0 "[ . 1 . ]" 1
318 1 26 LYS HE2 1 26 LYS HG3 4.000 . 6.000 3.844 2.702 4.174 . 0 0 "[ . 1 . ]" 1
319 1 26 LYS H 1 26 LYS HG3 4.000 . 6.000 4.004 2.406 4.464 . 0 0 "[ . 1 . ]" 1
320 1 26 LYS HG3 1 29 ARG HB2 4.000 . 6.000 5.739 5.203 6.078 0.078 4 0 "[ . 1 . ]" 1
321 1 26 LYS HG3 1 30 HIS HD2 4.000 . 6.000 5.220 3.866 6.050 0.050 3 0 "[ . 1 . ]" 1
322 1 17 ASN HD21 1 26 LYS HG2 4.000 . 6.000 3.115 2.679 4.369 . 0 0 "[ . 1 . ]" 1
323 1 26 LYS HA 1 26 LYS HG2 4.000 . 6.000 2.567 2.107 4.235 . 0 0 "[ . 1 . ]" 1
324 1 26 LYS HG2 1 29 ARG HB2 4.000 . 6.000 4.643 3.774 6.153 0.153 5 0 "[ . 1 . ]" 1
325 1 26 LYS HG2 1 29 ARG HD2 4.000 . 6.000 5.841 4.641 6.183 0.183 13 0 "[ . 1 . ]" 1
326 1 26 LYS HG2 1 30 HIS HD2 4.000 . 6.000 5.331 4.357 6.079 0.079 17 0 "[ . 1 . ]" 1
327 1 26 LYS H 1 27 ASP HA 4.000 . 6.000 5.333 5.066 5.584 . 0 0 "[ . 1 . ]" 1
328 1 26 LYS H 1 27 ASP HB3 4.000 . 6.000 4.891 4.241 5.371 . 0 0 "[ . 1 . ]" 1
329 1 26 LYS H 1 27 ASP H 4.000 . 6.000 2.689 2.365 3.005 . 0 0 "[ . 1 . ]" 1
330 1 26 LYS H 1 28 LEU H 4.000 . 6.000 4.423 3.997 5.098 . 0 0 "[ . 1 . ]" 1
331 1 27 ASP HA 1 28 LEU HB2 4.000 . 6.000 5.734 5.586 5.863 . 0 0 "[ . 1 . ]" 1
332 1 27 ASP HA 1 28 LEU H 4.000 . 6.000 3.551 3.510 3.578 . 0 0 "[ . 1 . ]" 1
333 1 27 ASP HA 1 30 HIS HD2 4.000 . 6.000 2.989 2.105 3.789 . 0 0 "[ . 1 . ]" 1
334 1 27 ASP H 1 27 ASP HB3 4.000 . 6.000 2.606 2.088 2.964 . 0 0 "[ . 1 . ]" 1
335 1 27 ASP HB3 1 28 LEU HB3 4.000 . 6.000 5.381 4.660 5.814 . 0 0 "[ . 1 . ]" 1
336 1 27 ASP HB3 1 28 LEU HB2 4.000 . 6.000 4.306 3.751 4.752 . 0 0 "[ . 1 . ]" 1
337 1 27 ASP HB3 1 28 LEU H 4.000 . 6.000 2.388 1.897 2.846 . 0 0 "[ . 1 . ]" 1
338 1 27 ASP HB3 1 30 HIS HD2 4.000 . 6.000 5.622 4.841 6.107 0.107 10 0 "[ . 1 . ]" 1
339 1 27 ASP HB2 1 28 LEU HB2 4.000 . 6.000 5.813 5.469 6.053 0.053 13 0 "[ . 1 . ]" 1
340 1 27 ASP HB2 1 28 LEU H 4.000 . 6.000 3.700 3.455 4.076 . 0 0 "[ . 1 . ]" 1
341 1 27 ASP HB2 1 30 HIS HD2 4.000 . 6.000 5.280 4.412 6.058 0.058 10 0 "[ . 1 . ]" 1
342 1 26 LYS HA 1 27 ASP H 4.000 . 6.000 3.505 3.436 3.553 . 0 0 "[ . 1 . ]" 1
343 1 26 LYS QB 1 27 ASP H 4.000 . 6.000 2.754 2.436 3.604 . 0 0 "[ . 1 . ]" 1
344 1 26 LYS HD2 1 27 ASP H 4.000 . 6.000 5.156 2.666 6.052 0.052 2 0 "[ . 1 . ]" 1
345 1 27 ASP H 1 27 ASP HB2 4.000 . 6.000 2.517 2.149 3.121 . 0 0 "[ . 1 . ]" 1
346 1 27 ASP H 1 28 LEU HB2 4.000 . 6.000 4.966 4.573 5.410 . 0 0 "[ . 1 . ]" 1
347 1 27 ASP H 1 28 LEU H 4.000 . 6.000 2.880 2.659 3.218 . 0 0 "[ . 1 . ]" 1
348 1 27 ASP H 1 30 HIS HD2 4.000 . 6.000 4.464 4.103 4.884 . 0 0 "[ . 1 . ]" 1
349 1 28 LEU HA 1 32 PHE HB3 4.000 . 6.000 4.679 4.032 5.667 . 0 0 "[ . 1 . ]" 1
350 1 28 LEU HA 1 32 PHE HB2 4.000 . 6.000 3.807 3.314 4.387 . 0 0 "[ . 1 . ]" 1
351 1 28 LEU HA 1 36 PHE HB2 4.000 . 6.000 5.653 4.852 6.056 0.056 13 0 "[ . 1 . ]" 1
352 1 28 LEU HB3 1 29 ARG H 4.000 . 6.000 3.368 2.443 4.273 . 0 0 "[ . 1 . ]" 1
353 1 28 LEU HA 1 28 LEU QD 4.000 . 6.000 2.229 1.797 3.091 0.003 8 0 "[ . 1 . ]" 1
354 1 28 LEU QD 1 32 PHE HB2 4.000 . 6.000 3.196 2.187 4.438 . 0 0 "[ . 1 . ]" 1
355 1 28 LEU QD 1 32 PHE QD 4.000 . 6.000 4.055 2.296 5.561 . 0 0 "[ . 1 . ]" 1
356 1 28 LEU QD 1 32 PHE H 4.000 . 6.000 4.107 3.276 5.011 . 0 0 "[ . 1 . ]" 1
357 1 28 LEU HA 1 28 LEU HG 4.000 . 6.000 2.935 1.964 3.626 . 0 0 "[ . 1 . ]" 1
358 1 28 LEU H 1 28 LEU HB3 4.000 . 6.000 3.254 2.387 3.622 . 0 0 "[ . 1 . ]" 1
359 1 28 LEU H 1 28 LEU HB2 4.000 . 6.000 2.347 2.105 2.818 . 0 0 "[ . 1 . ]" 1
360 1 28 LEU H 1 28 LEU QD 4.000 . 6.000 2.778 1.789 3.773 0.011 14 0 "[ . 1 . ]" 1
361 1 28 LEU H 1 28 LEU HG 4.000 . 6.000 3.880 2.020 4.558 . 0 0 "[ . 1 . ]" 1
362 1 28 LEU H 1 29 ARG HB3 4.000 . 6.000 4.917 4.193 5.461 . 0 0 "[ . 1 . ]" 1
363 1 28 LEU H 1 29 ARG H 4.000 . 6.000 2.660 2.217 3.003 . 0 0 "[ . 1 . ]" 1
364 1 28 LEU H 1 32 PHE HB2 4.000 . 6.000 5.967 5.372 6.180 0.180 4 0 "[ . 1 . ]" 1
365 1 28 LEU H 1 32 PHE H 4.000 . 6.000 5.516 5.249 6.024 0.024 13 0 "[ . 1 . ]" 1
366 1 29 ARG HA 1 29 ARG HD2 4.000 . 6.000 3.732 2.209 4.764 . 0 0 "[ . 1 . ]" 1
367 1 29 ARG HA 1 30 HIS H 4.000 . 6.000 3.588 3.567 3.610 . 0 0 "[ . 1 . ]" 1
368 1 29 ARG HA 1 32 PHE HB2 4.000 . 6.000 3.721 2.971 4.058 . 0 0 "[ . 1 . ]" 1
369 1 29 ARG HA 1 33 ARG H 4.000 . 6.000 3.895 3.066 4.604 . 0 0 "[ . 1 . ]" 1
370 1 29 ARG HB3 1 29 ARG HD3 4.000 . 6.000 3.091 2.043 4.257 . 0 0 "[ . 1 . ]" 1
371 1 29 ARG HB3 1 29 ARG HD2 4.000 . 6.000 2.998 2.186 3.680 . 0 0 "[ . 1 . ]" 1
372 1 29 ARG H 1 29 ARG HB3 4.000 . 6.000 2.652 2.241 2.909 . 0 0 "[ . 1 . ]" 1
373 1 29 ARG HB3 1 30 HIS HD2 4.000 . 6.000 3.260 2.552 4.282 . 0 0 "[ . 1 . ]" 1
374 1 29 ARG HB3 1 30 HIS H 4.000 . 6.000 2.132 1.885 2.639 . 0 0 "[ . 1 . ]" 1
375 1 29 ARG HB2 1 29 ARG HD3 4.000 . 6.000 3.423 2.491 3.954 . 0 0 "[ . 1 . ]" 1
376 1 29 ARG HB2 1 29 ARG HD2 4.000 . 6.000 3.076 2.089 4.214 . 0 0 "[ . 1 . ]" 1
377 1 29 ARG H 1 29 ARG HB2 4.000 . 6.000 2.601 2.249 3.080 . 0 0 "[ . 1 . ]" 1
378 1 29 ARG HB2 1 30 HIS HD2 4.000 . 6.000 4.812 4.038 5.771 . 0 0 "[ . 1 . ]" 1
379 1 29 ARG HB2 1 32 PHE HB2 4.000 . 6.000 5.991 5.401 6.169 0.169 11 0 "[ . 1 . ]" 1
380 1 29 ARG HB2 1 32 PHE QD 4.000 . 6.000 5.823 5.079 6.174 0.174 1 0 "[ . 1 . ]" 1
381 1 29 ARG HB2 1 32 PHE H 4.000 . 6.000 5.695 5.352 5.901 . 0 0 "[ . 1 . ]" 1
382 1 29 ARG HA 1 29 ARG HD3 4.000 . 6.000 3.735 2.984 4.411 . 0 0 "[ . 1 . ]" 1
383 1 29 ARG H 1 29 ARG HD3 4.000 . 6.000 5.138 4.546 5.996 . 0 0 "[ . 1 . ]" 1
384 1 29 ARG HD2 1 33 ARG H 4.000 . 6.000 5.696 4.677 6.143 0.143 5 0 "[ . 1 . ]" 1
385 1 29 ARG HG3 1 30 HIS HA 4.000 . 6.000 4.554 2.812 5.780 . 0 0 "[ . 1 . ]" 1
386 1 29 ARG HG3 1 30 HIS HB3 4.000 . 6.000 4.958 3.026 6.116 0.116 13 0 "[ . 1 . ]" 1
387 1 29 ARG HG3 1 33 ARG HG3 4.000 . 6.000 4.419 2.441 6.055 0.055 1 0 "[ . 1 . ]" 1
388 1 29 ARG HG2 1 30 HIS HB3 4.000 . 6.000 5.087 4.071 6.092 0.092 18 0 "[ . 1 . ]" 1
389 1 29 ARG HG2 1 33 ARG HG3 4.000 . 6.000 4.252 2.360 5.995 . 0 0 "[ . 1 . ]" 1
390 1 28 LEU HA 1 29 ARG H 4.000 . 6.000 3.458 3.175 3.556 . 0 0 "[ . 1 . ]" 1
391 1 28 LEU QD 1 29 ARG H 4.000 . 6.000 3.839 2.895 4.453 . 0 0 "[ . 1 . ]" 1
392 1 29 ARG H 1 29 ARG HD2 4.000 . 6.000 5.033 4.315 5.903 . 0 0 "[ . 1 . ]" 1
393 1 29 ARG H 1 29 ARG QG 4.000 . 6.000 3.989 3.806 4.261 . 0 0 "[ . 1 . ]" 1
394 1 29 ARG H 1 30 HIS HA 4.000 . 6.000 5.492 4.992 5.954 . 0 0 "[ . 1 . ]" 1
395 1 29 ARG H 1 30 HIS HD2 4.000 . 6.000 4.100 3.305 4.907 . 0 0 "[ . 1 . ]" 1
396 1 29 ARG H 1 32 PHE HB2 4.000 . 6.000 4.815 3.774 5.029 . 0 0 "[ . 1 . ]" 1
397 1 29 ARG H 1 32 PHE QD 4.000 . 6.000 5.769 4.585 6.145 0.145 11 0 "[ . 1 . ]" 1
398 1 29 ARG H 1 32 PHE H 4.000 . 6.000 4.256 3.535 4.668 . 0 0 "[ . 1 . ]" 1
399 1 2 VAL HA 1 3 PHE H 4.000 . 6.000 3.532 3.468 3.565 . 0 0 "[ . 1 . ]" 1
400 1 2 VAL HA 1 5 PHE QD 4.000 . 6.000 4.227 3.767 4.565 . 0 0 "[ . 1 . ]" 1
401 1 2 VAL HA 1 5 PHE H 4.000 . 6.000 3.079 2.825 3.515 . 0 0 "[ . 1 . ]" 1
402 1 2 VAL H 1 2 VAL HB 4.000 . 6.000 3.195 2.686 3.636 . 0 0 "[ . 1 . ]" 1
403 1 2 VAL HB 1 3 PHE H 4.000 . 6.000 3.106 2.528 3.745 . 0 0 "[ . 1 . ]" 1
404 1 2 VAL HB 1 6 ALA MB 4.000 . 6.000 4.229 3.336 4.944 . 0 0 "[ . 1 . ]" 1
405 1 2 VAL H 1 2 VAL MG1 4.000 . 6.000 3.136 2.083 3.762 . 0 0 "[ . 1 . ]" 1
406 1 2 VAL MG1 1 3 PHE H 4.000 . 6.000 3.957 3.707 4.241 . 0 0 "[ . 1 . ]" 1
407 1 2 VAL MG1 1 5 PHE HB3 4.000 . 6.000 3.322 2.350 4.716 . 0 0 "[ . 1 . ]" 1
408 1 2 VAL MG1 1 5 PHE HB2 4.000 . 6.000 3.628 3.097 4.239 . 0 0 "[ . 1 . ]" 1
409 1 2 VAL MG1 1 5 PHE QD 4.000 . 6.000 4.051 2.867 5.061 . 0 0 "[ . 1 . ]" 1
410 1 2 VAL MG1 1 5 PHE H 4.000 . 6.000 4.479 3.952 5.101 . 0 0 "[ . 1 . ]" 1
411 1 2 VAL MG1 1 6 ALA MB 4.000 . 6.000 3.874 2.591 5.322 . 0 0 "[ . 1 . ]" 1
412 1 2 VAL MG2 1 3 PHE H 4.000 . 6.000 2.891 1.838 3.833 . 0 0 "[ . 1 . ]" 1
413 1 2 VAL MG2 1 5 PHE H 4.000 . 6.000 4.955 4.796 5.252 . 0 0 "[ . 1 . ]" 1
414 1 2 VAL H 1 2 VAL MG2 4.000 . 6.000 1.896 1.767 2.039 0.033 17 0 "[ . 1 . ]" 1
415 1 2 VAL H 1 3 PHE QD 4.000 . 6.000 4.959 3.633 6.073 0.073 17 0 "[ . 1 . ]" 1
416 1 2 VAL H 1 3 PHE H 4.000 . 6.000 2.825 2.525 2.975 . 0 0 "[ . 1 . ]" 1
417 1 2 VAL H 1 4 ALA H 4.000 . 6.000 4.458 4.212 5.031 . 0 0 "[ . 1 . ]" 1
418 1 2 VAL H 1 5 PHE HB3 4.000 . 6.000 5.649 5.018 6.021 0.021 9 0 "[ . 1 . ]" 1
419 1 2 VAL H 1 5 PHE HB2 4.000 . 6.000 4.927 4.384 5.327 . 0 0 "[ . 1 . ]" 1
420 1 2 VAL H 1 5 PHE H 4.000 . 6.000 4.791 4.527 4.919 . 0 0 "[ . 1 . ]" 1
421 1 2 VAL H 1 6 ALA H 4.000 . 6.000 5.903 5.546 6.067 0.067 7 0 "[ . 1 . ]" 1
422 1 30 HIS HA 1 30 HIS HD2 4.000 . 6.000 4.458 4.247 4.776 . 0 0 "[ . 1 . ]" 1
423 1 30 HIS HA 1 31 ALA H 4.000 . 6.000 3.572 3.528 3.602 . 0 0 "[ . 1 . ]" 1
424 1 30 HIS HA 1 33 ARG H 4.000 . 6.000 3.089 2.756 3.648 . 0 0 "[ . 1 . ]" 1
425 1 30 HIS HB3 1 30 HIS HD2 4.000 . 6.000 2.929 2.767 3.087 . 0 0 "[ . 1 . ]" 1
426 1 30 HIS H 1 30 HIS HB3 4.000 . 6.000 2.691 2.412 2.901 . 0 0 "[ . 1 . ]" 1
427 1 30 HIS HB3 1 31 ALA MB 4.000 . 6.000 5.436 5.309 5.587 . 0 0 "[ . 1 . ]" 1
428 1 30 HIS HB3 1 31 ALA H 4.000 . 6.000 3.873 3.701 4.049 . 0 0 "[ . 1 . ]" 1
429 1 30 HIS HB3 1 33 ARG H 4.000 . 6.000 5.420 5.150 5.876 . 0 0 "[ . 1 . ]" 1
430 1 30 HIS HB2 1 30 HIS HD2 4.000 . 6.000 3.969 3.846 4.045 . 0 0 "[ . 1 . ]" 1
431 1 30 HIS HB2 1 31 ALA MB 4.000 . 6.000 4.957 4.650 5.176 . 0 0 "[ . 1 . ]" 1
432 1 30 HIS HB2 1 33 ARG HB3 4.000 . 6.000 5.919 5.340 6.154 0.154 8 0 "[ . 1 . ]" 1
433 1 30 HIS HB2 1 33 ARG HB2 4.000 . 6.000 4.521 3.886 5.220 . 0 0 "[ . 1 . ]" 1
434 1 30 HIS HB2 1 34 SER HA 4.000 . 6.000 6.051 5.553 6.201 0.201 1 0 "[ . 1 . ]" 1
435 1 30 HIS HB2 1 34 SER HB2 4.000 . 6.000 3.471 2.740 4.052 . 0 0 "[ . 1 . ]" 1
436 1 29 ARG QG 1 30 HIS HD2 4.000 . 6.000 4.723 2.998 6.016 0.016 5 0 "[ . 1 . ]" 1
437 1 30 HIS H 1 30 HIS HD2 4.000 . 6.000 2.246 1.788 3.005 0.012 10 0 "[ . 1 . ]" 1
438 1 27 ASP HA 1 30 HIS H 4.000 . 6.000 4.200 3.814 4.917 . 0 0 "[ . 1 . ]" 1
439 1 29 ARG QG 1 30 HIS H 4.000 . 6.000 3.342 2.174 4.027 . 0 0 "[ . 1 . ]" 1
440 1 30 HIS H 1 30 HIS HB2 4.000 . 6.000 3.651 3.622 3.689 . 0 0 "[ . 1 . ]" 1
441 1 30 HIS H 1 32 PHE H 4.000 . 6.000 3.840 3.437 4.236 . 0 0 "[ . 1 . ]" 1
442 1 31 ALA HA 1 32 PHE H 4.000 . 6.000 3.487 3.303 3.573 . 0 0 "[ . 1 . ]" 1
443 1 31 ALA HA 1 34 SER H 4.000 . 6.000 4.103 3.285 4.953 . 0 0 "[ . 1 . ]" 1
444 1 31 ALA HA 1 36 PHE HB2 4.000 . 6.000 5.668 5.044 6.171 0.171 18 0 "[ . 1 . ]" 1
445 1 31 ALA MB 1 32 PHE HB3 4.000 . 6.000 4.541 4.327 4.878 . 0 0 "[ . 1 . ]" 1
446 1 31 ALA MB 1 32 PHE HB2 4.000 . 6.000 4.070 3.789 4.287 . 0 0 "[ . 1 . ]" 1
447 1 31 ALA MB 1 32 PHE H 4.000 . 6.000 2.617 2.275 3.247 . 0 0 "[ . 1 . ]" 1
448 1 31 ALA MB 1 34 SER HB2 4.000 . 6.000 4.855 4.021 5.856 . 0 0 "[ . 1 . ]" 1
449 1 31 ALA MB 1 35 MET HB2 4.000 . 6.000 2.888 2.055 3.944 . 0 0 "[ . 1 . ]" 1
450 1 31 ALA MB 1 35 MET HG2 4.000 . 6.000 4.034 3.193 4.912 . 0 0 "[ . 1 . ]" 1
451 1 27 ASP HA 1 31 ALA H 4.000 . 6.000 3.962 3.400 4.669 . 0 0 "[ . 1 . ]" 1
452 1 28 LEU HA 1 31 ALA H 4.000 . 6.000 3.963 3.328 4.816 . 0 0 "[ . 1 . ]" 1
453 1 30 HIS HB2 1 31 ALA H 4.000 . 6.000 3.597 3.224 3.927 . 0 0 "[ . 1 . ]" 1
454 1 30 HIS H 1 31 ALA H 4.000 . 6.000 2.649 2.344 3.054 . 0 0 "[ . 1 . ]" 1
455 1 31 ALA H 1 32 PHE HB2 4.000 . 6.000 5.162 4.717 5.501 . 0 0 "[ . 1 . ]" 1
456 1 31 ALA H 1 32 PHE H 4.000 . 6.000 2.709 2.493 2.881 . 0 0 "[ . 1 . ]" 1
457 1 31 ALA H 1 33 ARG H 4.000 . 6.000 4.462 4.075 4.802 . 0 0 "[ . 1 . ]" 1
458 1 32 PHE HA 1 33 ARG HG2 4.000 . 6.000 5.103 4.759 5.899 . 0 0 "[ . 1 . ]" 1
459 1 32 PHE HA 1 35 MET HB2 4.000 . 6.000 3.896 3.462 4.248 . 0 0 "[ . 1 . ]" 1
460 1 32 PHE HA 1 35 MET HG2 4.000 . 6.000 5.923 5.261 6.103 0.103 1 0 "[ . 1 . ]" 1
461 1 32 PHE H 1 32 PHE HB3 4.000 . 6.000 2.420 2.239 2.897 . 0 0 "[ . 1 . ]" 1
462 1 32 PHE HB3 1 33 ARG HB3 4.000 . 6.000 5.450 5.209 5.762 . 0 0 "[ . 1 . ]" 1
463 1 32 PHE HB3 1 33 ARG HB2 4.000 . 6.000 4.377 3.949 4.555 . 0 0 "[ . 1 . ]" 1
464 1 32 PHE HB3 1 33 ARG HG3 4.000 . 6.000 4.351 4.200 4.568 . 0 0 "[ . 1 . ]" 1
465 1 32 PHE HB3 1 33 ARG H 4.000 . 6.000 2.133 1.849 2.439 . 0 0 "[ . 1 . ]" 1
466 1 32 PHE HB3 1 34 SER H 4.000 . 6.000 4.641 4.174 4.925 . 0 0 "[ . 1 . ]" 1
467 1 32 PHE HB3 1 35 MET HB2 4.000 . 6.000 6.212 6.061 6.359 0.359 5 0 "[ . 1 . ]" 1
468 1 32 PHE HB3 1 35 MET H 4.000 . 6.000 5.330 4.970 5.550 . 0 0 "[ . 1 . ]" 1
469 1 32 PHE HB3 1 36 PHE H 4.000 . 6.000 5.085 4.878 5.302 . 0 0 "[ . 1 . ]" 1
470 1 32 PHE H 1 32 PHE HB2 4.000 . 6.000 2.663 2.168 2.990 . 0 0 "[ . 1 . ]" 1
471 1 32 PHE HB2 1 33 ARG HB2 4.000 . 6.000 5.987 5.611 6.132 0.132 3 0 "[ . 1 . ]" 1
472 1 32 PHE HB2 1 33 ARG HG3 4.000 . 6.000 6.028 5.847 6.107 0.107 12 0 "[ . 1 . ]" 1
473 1 32 PHE HB2 1 33 ARG H 4.000 . 6.000 3.603 3.291 3.848 . 0 0 "[ . 1 . ]" 1
474 1 32 PHE HB2 1 34 SER H 4.000 . 6.000 5.390 4.977 5.723 . 0 0 "[ . 1 . ]" 1
475 1 32 PHE HB2 1 35 MET HB2 4.000 . 6.000 5.817 5.593 6.016 0.016 6 0 "[ . 1 . ]" 1
476 1 32 PHE HB2 1 36 PHE HA 4.000 . 6.000 6.092 5.934 6.205 0.205 11 0 "[ . 1 . ]" 1
477 1 32 PHE HA 1 32 PHE QD 4.000 . 6.000 2.492 2.075 3.057 . 0 0 "[ . 1 . ]" 1
478 1 32 PHE H 1 32 PHE QD 4.000 . 6.000 4.162 4.021 4.256 . 0 0 "[ . 1 . ]" 1
479 1 32 PHE QD 1 33 ARG HG3 4.000 . 6.000 3.838 2.880 5.725 . 0 0 "[ . 1 . ]" 1
480 1 32 PHE QD 1 33 ARG H 4.000 . 6.000 3.133 2.054 3.927 . 0 0 "[ . 1 . ]" 1
481 1 32 PHE QD 1 34 SER H 4.000 . 6.000 4.659 3.726 5.204 . 0 0 "[ . 1 . ]" 1
482 1 32 PHE QD 1 35 MET HB2 4.000 . 6.000 5.870 5.407 6.088 0.088 13 0 "[ . 1 . ]" 1
483 1 32 PHE QD 1 36 PHE HA 4.000 . 6.000 4.624 4.388 5.020 . 0 0 "[ . 1 . ]" 1
484 1 32 PHE QD 1 36 PHE HB3 4.000 . 6.000 2.260 1.838 2.960 . 0 0 "[ . 1 . ]" 1
485 1 32 PHE QD 1 36 PHE HB2 4.000 . 6.000 2.807 2.068 3.698 . 0 0 "[ . 1 . ]" 1
486 1 32 PHE QD 1 36 PHE QD 4.000 . 6.000 3.261 2.799 4.150 . 0 0 "[ . 1 . ]" 1
487 1 32 PHE QD 1 36 PHE H 4.000 . 6.000 4.099 3.500 4.576 . 0 0 "[ . 1 . ]" 1
488 1 28 LEU HA 1 32 PHE H 4.000 . 6.000 3.457 2.909 4.417 . 0 0 "[ . 1 . ]" 1
489 1 32 PHE H 1 33 ARG H 4.000 . 6.000 2.719 2.395 2.908 . 0 0 "[ . 1 . ]" 1
490 1 32 PHE H 1 34 SER H 4.000 . 6.000 4.045 2.933 4.596 . 0 0 "[ . 1 . ]" 1
491 1 32 PHE H 1 35 MET HB2 4.000 . 6.000 4.510 4.058 5.013 . 0 0 "[ . 1 . ]" 1
492 1 32 PHE H 1 35 MET H 4.000 . 6.000 4.307 3.555 4.754 . 0 0 "[ . 1 . ]" 1
493 1 33 ARG HA 1 34 SER HA 4.000 . 6.000 4.427 4.330 4.595 . 0 0 "[ . 1 . ]" 1
494 1 33 ARG HA 1 34 SER HB3 4.000 . 6.000 6.043 5.571 6.251 0.251 3 0 "[ . 1 . ]" 1
495 1 33 ARG HA 1 34 SER H 4.000 . 6.000 2.996 2.651 3.504 . 0 0 "[ . 1 . ]" 1
496 1 33 ARG HA 1 36 PHE H 4.000 . 6.000 5.423 4.955 5.880 . 0 0 "[ . 1 . ]" 1
497 1 33 ARG HB3 1 34 SER H 4.000 . 6.000 4.286 3.272 4.507 . 0 0 "[ . 1 . ]" 1
498 1 33 ARG HB2 1 34 SER H 4.000 . 6.000 3.853 2.513 4.342 . 0 0 "[ . 1 . ]" 1
499 1 33 ARG QB 1 34 SER H 4.000 . 6.000 3.572 2.436 3.897 . 0 0 "[ . 1 . ]" 1
500 1 33 ARG HA 1 33 ARG HG3 4.000 . 6.000 3.703 3.434 3.830 . 0 0 "[ . 1 . ]" 1
501 1 33 ARG H 1 33 ARG HG3 4.000 . 6.000 3.322 2.864 3.735 . 0 0 "[ . 1 . ]" 1
502 1 33 ARG HG3 1 34 SER H 4.000 . 6.000 5.593 4.572 5.896 . 0 0 "[ . 1 . ]" 1
503 1 33 ARG HA 1 33 ARG HG2 4.000 . 6.000 2.728 2.091 3.206 . 0 0 "[ . 1 . ]" 1
504 1 33 ARG H 1 33 ARG HG2 4.000 . 6.000 2.272 1.783 2.964 0.017 3 0 "[ . 1 . ]" 1
505 1 33 ARG HG2 1 34 SER HB2 4.000 . 6.000 6.097 5.910 6.232 0.232 3 0 "[ . 1 . ]" 1
506 1 33 ARG HG2 1 34 SER H 4.000 . 6.000 4.636 4.190 4.851 . 0 0 "[ . 1 . ]" 1
507 1 32 PHE HA 1 33 ARG H 4.000 . 6.000 3.559 3.529 3.581 . 0 0 "[ . 1 . ]" 1
508 1 33 ARG H 1 33 ARG HB3 4.000 . 6.000 3.600 3.531 3.643 . 0 0 "[ . 1 . ]" 1
509 1 33 ARG H 1 33 ARG HB2 4.000 . 6.000 2.466 2.227 2.639 . 0 0 "[ . 1 . ]" 1
510 1 33 ARG H 1 34 SER HB2 4.000 . 6.000 4.459 4.095 4.927 . 0 0 "[ . 1 . ]" 1
511 1 33 ARG H 1 34 SER H 4.000 . 6.000 3.083 2.539 3.469 . 0 0 "[ . 1 . ]" 1
512 1 33 ARG H 1 36 PHE HB3 4.000 . 6.000 5.393 5.064 6.052 0.052 10 0 "[ . 1 . ]" 1
513 1 33 ARG H 1 36 PHE HB2 4.000 . 6.000 5.347 4.341 6.006 0.006 2 0 "[ . 1 . ]" 1
514 1 34 SER HA 1 35 MET HB2 4.000 . 6.000 5.698 5.180 5.911 . 0 0 "[ . 1 . ]" 1
515 1 34 SER HA 1 35 MET HG2 4.000 . 6.000 4.484 4.148 4.782 . 0 0 "[ . 1 . ]" 1
516 1 34 SER HA 1 36 PHE H 4.000 . 6.000 5.563 4.872 5.893 . 0 0 "[ . 1 . ]" 1
517 1 34 SER H 1 34 SER HB3 4.000 . 6.000 3.624 2.778 4.008 . 0 0 "[ . 1 . ]" 1
518 1 34 SER HB3 1 35 MET HB2 4.000 . 6.000 4.836 4.139 5.768 . 0 0 "[ . 1 . ]" 1
519 1 34 SER HB3 1 35 MET H 4.000 . 6.000 3.666 2.937 4.427 . 0 0 "[ . 1 . ]" 1
520 1 34 SER H 1 34 SER HB2 4.000 . 6.000 2.911 2.245 3.252 . 0 0 "[ . 1 . ]" 1
521 1 34 SER HB2 1 35 MET HG2 4.000 . 6.000 3.769 3.095 4.876 . 0 0 "[ . 1 . ]" 1
522 1 34 SER HB2 1 35 MET H 4.000 . 6.000 3.484 2.721 4.120 . 0 0 "[ . 1 . ]" 1
523 1 34 SER H 1 35 MET HB2 4.000 . 6.000 4.217 3.596 4.756 . 0 0 "[ . 1 . ]" 1
524 1 34 SER H 1 35 MET H 4.000 . 6.000 1.851 1.589 2.578 0.211 12 0 "[ . 1 . ]" 1
525 1 34 SER H 1 36 PHE HB2 4.000 . 6.000 5.053 3.648 5.583 . 0 0 "[ . 1 . ]" 1
526 1 35 MET HA 1 35 MET HG3 4.000 . 6.000 3.680 3.513 3.849 . 0 0 "[ . 1 . ]" 1
527 1 35 MET HA 1 36 PHE H 4.000 . 6.000 3.580 3.517 3.604 . 0 0 "[ . 1 . ]" 1
528 1 35 MET HA 1 37 PRO HB3 4.000 . 6.000 5.984 5.741 6.127 0.127 12 0 "[ . 1 . ]" 1
529 1 35 MET H 1 35 MET HB3 4.000 . 6.000 3.824 3.688 3.929 . 0 0 "[ . 1 . ]" 1
530 1 35 MET HB3 1 36 PHE HB2 4.000 . 6.000 4.915 4.290 5.587 . 0 0 "[ . 1 . ]" 1
531 1 35 MET H 1 35 MET HB2 4.000 . 6.000 2.714 2.469 2.886 . 0 0 "[ . 1 . ]" 1
532 1 35 MET HB2 1 36 PHE QD 4.000 . 6.000 4.819 3.741 5.551 . 0 0 "[ . 1 . ]" 1
533 1 35 MET HB2 1 36 PHE H 4.000 . 6.000 2.241 1.923 2.838 . 0 0 "[ . 1 . ]" 1
534 1 35 MET H 1 35 MET HG3 4.000 . 6.000 3.951 2.984 4.815 . 0 0 "[ . 1 . ]" 1
535 1 35 MET HG3 1 36 PHE H 4.000 . 6.000 4.440 3.901 5.025 . 0 0 "[ . 1 . ]" 1
536 1 35 MET HA 1 35 MET HG2 4.000 . 6.000 2.717 2.327 3.071 . 0 0 "[ . 1 . ]" 1
537 1 35 MET H 1 35 MET HG2 4.000 . 6.000 3.188 2.717 3.791 . 0 0 "[ . 1 . ]" 1
538 1 31 ALA HA 1 35 MET H 4.000 . 6.000 3.581 2.394 4.316 . 0 0 "[ . 1 . ]" 1
539 1 32 PHE HA 1 35 MET H 4.000 . 6.000 3.489 3.101 3.806 . 0 0 "[ . 1 . ]" 1
540 1 34 SER HA 1 35 MET H 4.000 . 6.000 3.407 3.222 3.556 . 0 0 "[ . 1 . ]" 1
541 1 35 MET H 1 36 PHE HB3 4.000 . 6.000 4.699 4.387 5.268 . 0 0 "[ . 1 . ]" 1
542 1 35 MET H 1 36 PHE HB2 4.000 . 6.000 4.319 3.733 4.594 . 0 0 "[ . 1 . ]" 1
543 1 35 MET H 1 36 PHE QD 4.000 . 6.000 5.731 4.905 5.964 . 0 0 "[ . 1 . ]" 1
544 1 35 MET H 1 37 PRO HD3 4.000 . 6.000 5.870 5.091 6.105 0.105 15 0 "[ . 1 . ]" 1
545 1 36 PHE HA 1 36 PHE QD 4.000 . 6.000 2.709 2.290 2.984 . 0 0 "[ . 1 . ]" 1
546 1 36 PHE HA 1 37 PRO HD3 4.000 . 6.000 2.264 2.170 2.372 . 0 0 "[ . 1 . ]" 1
547 1 36 PHE HA 1 37 PRO HD2 4.000 . 6.000 2.154 2.072 2.254 . 0 0 "[ . 1 . ]" 1
548 1 36 PHE HA 1 37 PRO HG3 4.000 . 6.000 4.375 4.314 4.427 . 0 0 "[ . 1 . ]" 1
549 1 36 PHE HA 1 37 PRO HG2 4.000 . 6.000 4.344 4.279 4.409 . 0 0 "[ . 1 . ]" 1
550 1 36 PHE HA 1 38 SER H 4.000 . 6.000 3.697 3.259 4.024 . 0 0 "[ . 1 . ]" 1
551 1 36 PHE HB3 1 37 PRO HD3 4.000 . 6.000 4.828 4.619 4.962 . 0 0 "[ . 1 . ]" 1
552 1 36 PHE HB3 1 37 PRO HD2 4.000 . 6.000 4.195 3.859 4.350 . 0 0 "[ . 1 . ]" 1
553 1 36 PHE HB3 1 37 PRO HG2 4.000 . 6.000 5.875 5.526 6.032 0.032 14 0 "[ . 1 . ]" 1
554 1 36 PHE HB3 1 38 SER H 4.000 . 6.000 4.256 3.397 4.796 . 0 0 "[ . 1 . ]" 1
555 1 36 PHE H 1 36 PHE HB2 4.000 . 6.000 2.268 2.077 2.408 . 0 0 "[ . 1 . ]" 1
556 1 36 PHE HB2 1 37 PRO HD3 4.000 . 6.000 4.900 4.777 5.038 . 0 0 "[ . 1 . ]" 1
557 1 36 PHE HB2 1 37 PRO HD2 4.000 . 6.000 4.461 4.226 4.742 . 0 0 "[ . 1 . ]" 1
558 1 36 PHE HB2 1 38 SER HB2 4.000 . 6.000 6.053 5.959 6.169 0.169 14 0 "[ . 1 . ]" 1
559 1 36 PHE HB2 1 38 SER H 4.000 . 6.000 5.241 4.716 5.693 . 0 0 "[ . 1 . ]" 1
560 1 36 PHE QD 1 37 PRO HD3 4.000 . 6.000 4.247 3.899 4.514 . 0 0 "[ . 1 . ]" 1
561 1 36 PHE QD 1 37 PRO HD2 4.000 . 6.000 3.246 2.569 3.711 . 0 0 "[ . 1 . ]" 1
562 1 36 PHE QD 1 37 PRO HG3 4.000 . 6.000 5.475 4.986 5.913 . 0 0 "[ . 1 . ]" 1
563 1 36 PHE QD 1 37 PRO HG2 4.000 . 6.000 4.611 3.936 5.214 . 0 0 "[ . 1 . ]" 1
564 1 36 PHE QD 1 38 SER HB2 4.000 . 6.000 3.048 2.440 4.283 . 0 0 "[ . 1 . ]" 1
565 1 36 PHE QD 1 38 SER H 4.000 . 6.000 2.882 2.119 3.539 . 0 0 "[ . 1 . ]" 1
566 1 35 MET HB3 1 36 PHE H 4.000 . 6.000 3.277 2.918 3.789 . 0 0 "[ . 1 . ]" 1
567 1 36 PHE H 1 36 PHE HB3 4.000 . 6.000 3.038 2.854 3.394 . 0 0 "[ . 1 . ]" 1
568 1 36 PHE H 1 36 PHE QD 4.000 . 6.000 3.857 3.048 4.102 . 0 0 "[ . 1 . ]" 1
569 1 36 PHE H 1 37 PRO HD3 4.000 . 6.000 4.493 4.206 4.637 . 0 0 "[ . 1 . ]" 1
570 1 36 PHE H 1 37 PRO HD2 4.000 . 6.000 4.900 4.732 5.025 . 0 0 "[ . 1 . ]" 1
571 1 37 PRO HA 1 37 PRO HD3 4.000 . 6.000 3.779 3.685 3.846 . 0 0 "[ . 1 . ]" 1
572 1 37 PRO HA 1 38 SER HB2 4.000 . 6.000 4.051 3.906 4.212 . 0 0 "[ . 1 . ]" 1
573 1 37 PRO HB3 1 37 PRO HD3 4.000 . 6.000 2.939 2.838 3.036 . 0 0 "[ . 1 . ]" 1
574 1 37 PRO HB3 1 37 PRO HD2 4.000 . 6.000 3.826 3.798 3.852 . 0 0 "[ . 1 . ]" 1
575 1 37 PRO HB3 1 38 SER H 4.000 . 6.000 4.012 3.880 4.193 . 0 0 "[ . 1 . ]" 1
576 1 37 PRO HB2 1 37 PRO HD3 4.000 . 6.000 3.945 3.897 3.986 . 0 0 "[ . 1 . ]" 1
577 1 37 PRO HB2 1 37 PRO HD2 4.000 . 6.000 4.075 4.039 4.107 . 0 0 "[ . 1 . ]" 1
578 1 37 PRO HB2 1 38 SER H 4.000 . 6.000 3.400 3.111 3.721 . 0 0 "[ . 1 . ]" 1
579 1 37 PRO HD3 1 38 SER H 4.000 . 6.000 3.504 3.357 3.627 . 0 0 "[ . 1 . ]" 1
580 1 37 PRO HA 1 37 PRO HD2 4.000 . 6.000 4.102 4.082 4.123 . 0 0 "[ . 1 . ]" 1
581 1 37 PRO HD2 1 38 SER H 4.000 . 6.000 2.183 1.973 2.374 . 0 0 "[ . 1 . ]" 1
582 1 37 PRO HG3 1 38 SER HB2 4.000 . 6.000 6.275 6.223 6.346 0.346 10 0 "[ . 1 . ]" 1
583 1 37 PRO HG3 1 38 SER H 4.000 . 6.000 3.515 3.301 3.867 . 0 0 "[ . 1 . ]" 1
584 1 37 PRO HG3 1 39 ALA HA 4.000 . 6.000 5.966 4.421 6.117 0.117 9 0 "[ . 1 . ]" 1
585 1 37 PRO HG3 1 39 ALA MB 4.000 . 6.000 3.816 2.883 5.003 . 0 0 "[ . 1 . ]" 1
586 1 37 PRO HG2 1 38 SER HB2 4.000 . 6.000 4.832 4.734 4.955 . 0 0 "[ . 1 . ]" 1
587 1 37 PRO HG2 1 38 SER H 4.000 . 6.000 2.039 1.785 2.540 0.015 9 0 "[ . 1 . ]" 1
588 1 37 PRO HG2 1 39 ALA HA 4.000 . 6.000 4.760 3.282 4.989 . 0 0 "[ . 1 . ]" 1
589 1 37 PRO HG2 1 39 ALA MB 4.000 . 6.000 3.217 2.350 3.896 . 0 0 "[ . 1 . ]" 1
590 1 38 SER H 1 38 SER HB3 4.000 . 6.000 4.051 3.978 4.094 . 0 0 "[ . 1 . ]" 1
591 1 38 SER H 1 38 SER HB2 4.000 . 6.000 3.136 3.073 3.260 . 0 0 "[ . 1 . ]" 1
592 1 38 SER HB2 1 39 ALA HA 4.000 . 6.000 5.339 4.795 5.781 . 0 0 "[ . 1 . ]" 1
593 1 38 SER HB2 1 39 ALA H 4.000 . 6.000 4.195 3.077 4.519 . 0 0 "[ . 1 . ]" 1
594 1 37 PRO QB 1 38 SER H 4.000 . 6.000 3.225 2.994 3.482 . 0 0 "[ . 1 . ]" 1
595 1 3 PHE HA 1 3 PHE QD 4.000 . 6.000 2.896 2.421 3.716 . 0 0 "[ . 1 . ]" 1
596 1 3 PHE HA 1 4 ALA MB 4.000 . 6.000 5.054 5.036 5.074 . 0 0 "[ . 1 . ]" 1
597 1 3 PHE HA 1 4 ALA H 4.000 . 6.000 3.559 3.523 3.585 . 0 0 "[ . 1 . ]" 1
598 1 3 PHE HA 1 5 PHE HB3 4.000 . 6.000 5.374 4.962 5.744 . 0 0 "[ . 1 . ]" 1
599 1 3 PHE HA 1 5 PHE HB2 4.000 . 6.000 5.803 4.996 6.060 0.060 18 0 "[ . 1 . ]" 1
600 1 3 PHE HA 1 5 PHE H 4.000 . 6.000 4.421 4.210 4.671 . 0 0 "[ . 1 . ]" 1
601 1 3 PHE HA 1 7 SER HB2 4.000 . 6.000 5.637 5.235 6.020 0.020 10 0 "[ . 1 . ]" 1
602 1 3 PHE H 1 3 PHE HB3 4.000 . 6.000 2.968 2.104 3.605 . 0 0 "[ . 1 . ]" 1
603 1 3 PHE HB3 1 4 ALA MB 4.000 . 6.000 4.800 3.826 5.401 . 0 0 "[ . 1 . ]" 1
604 1 3 PHE HB3 1 4 ALA H 4.000 . 6.000 3.401 2.339 4.110 . 0 0 "[ . 1 . ]" 1
605 1 3 PHE H 1 3 PHE HB2 4.000 . 6.000 2.963 2.122 3.632 . 0 0 "[ . 1 . ]" 1
606 1 3 PHE HB2 1 4 ALA H 4.000 . 6.000 3.245 1.980 4.114 . 0 0 "[ . 1 . ]" 1
607 1 3 PHE HB2 1 5 PHE H 4.000 . 6.000 5.371 4.520 6.026 0.026 3 0 "[ . 1 . ]" 1
608 1 3 PHE HB2 1 6 ALA H 4.000 . 6.000 5.751 5.438 6.019 0.019 4 0 "[ . 1 . ]" 1
609 1 3 PHE HB2 1 7 SER H 4.000 . 6.000 5.532 5.039 6.014 0.014 6 0 "[ . 1 . ]" 1
610 1 3 PHE H 1 3 PHE QD 4.000 . 6.000 3.077 1.924 4.077 . 0 0 "[ . 1 . ]" 1
611 1 3 PHE QD 1 4 ALA MB 4.000 . 6.000 4.088 2.959 5.121 . 0 0 "[ . 1 . ]" 1
612 1 3 PHE QD 1 6 ALA MB 4.000 . 6.000 4.342 3.487 5.197 . 0 0 "[ . 1 . ]" 1
613 1 3 PHE H 1 4 ALA MB 4.000 . 6.000 4.491 4.362 4.716 . 0 0 "[ . 1 . ]" 1
614 1 3 PHE H 1 5 PHE HB3 4.000 . 6.000 5.483 5.098 5.915 . 0 0 "[ . 1 . ]" 1
615 1 3 PHE H 1 5 PHE HB2 4.000 . 6.000 5.222 4.570 5.597 . 0 0 "[ . 1 . ]" 1
616 1 3 PHE H 1 5 PHE H 4.000 . 6.000 4.094 3.928 4.309 . 0 0 "[ . 1 . ]" 1
617 1 3 PHE H 1 6 ALA H 4.000 . 6.000 4.670 4.476 4.780 . 0 0 "[ . 1 . ]" 1
618 1 4 ALA MB 1 5 PHE HA 4.000 . 6.000 3.863 3.758 3.916 . 0 0 "[ . 1 . ]" 1
619 1 4 ALA MB 1 5 PHE HB3 4.000 . 6.000 5.009 4.809 5.312 . 0 0 "[ . 1 . ]" 1
620 1 4 ALA MB 1 5 PHE HB2 4.000 . 6.000 3.992 3.855 4.176 . 0 0 "[ . 1 . ]" 1
621 1 4 ALA MB 1 5 PHE H 4.000 . 6.000 2.462 2.296 2.603 . 0 0 "[ . 1 . ]" 1
622 1 4 ALA MB 1 6 ALA H 4.000 . 6.000 4.808 4.682 5.043 . 0 0 "[ . 1 . ]" 1
623 1 4 ALA MB 1 7 SER HB2 4.000 . 6.000 3.993 3.702 4.325 . 0 0 "[ . 1 . ]" 1
624 1 4 ALA MB 1 8 MET HB2 4.000 . 6.000 4.422 4.133 4.908 . 0 0 "[ . 1 . ]" 1
625 1 4 ALA MB 1 8 MET HG3 4.000 . 6.000 4.654 3.800 5.664 . 0 0 "[ . 1 . ]" 1
626 1 4 ALA MB 1 8 MET H 4.000 . 6.000 4.299 4.116 4.712 . 0 0 "[ . 1 . ]" 1
627 1 4 ALA H 1 5 PHE HB3 4.000 . 6.000 5.304 4.913 5.788 . 0 0 "[ . 1 . ]" 1
628 1 4 ALA H 1 5 PHE HB2 4.000 . 6.000 4.637 4.398 4.853 . 0 0 "[ . 1 . ]" 1
629 1 4 ALA H 1 5 PHE H 4.000 . 6.000 2.622 2.487 2.814 . 0 0 "[ . 1 . ]" 1
630 1 5 PHE HA 1 5 PHE QD 4.000 . 6.000 2.512 2.051 2.995 . 0 0 "[ . 1 . ]" 1
631 1 5 PHE HA 1 6 ALA MB 4.000 . 6.000 5.052 5.035 5.064 . 0 0 "[ . 1 . ]" 1
632 1 5 PHE HA 1 7 SER H 4.000 . 6.000 4.274 4.041 4.518 . 0 0 "[ . 1 . ]" 1
633 1 5 PHE HA 1 8 MET HG3 4.000 . 6.000 5.143 4.377 5.586 . 0 0 "[ . 1 . ]" 1
634 1 5 PHE HA 1 8 MET HG2 4.000 . 6.000 5.729 5.128 5.988 . 0 0 "[ . 1 . ]" 1
635 1 5 PHE HA 1 9 LEU HB3 4.000 . 6.000 6.033 5.742 6.100 0.100 10 0 "[ . 1 . ]" 1
636 1 5 PHE HB3 1 6 ALA MB 4.000 . 6.000 3.777 3.680 3.982 . 0 0 "[ . 1 . ]" 1
637 1 5 PHE HB3 1 6 ALA H 4.000 . 6.000 2.173 1.966 2.584 . 0 0 "[ . 1 . ]" 1
638 1 5 PHE HB3 1 9 LEU HB3 4.000 . 6.000 5.987 5.739 6.072 0.072 7 0 "[ . 1 . ]" 1
639 1 5 PHE HB3 1 9 LEU HB2 4.000 . 6.000 4.485 4.369 4.589 . 0 0 "[ . 1 . ]" 1
640 1 5 PHE HB2 1 6 ALA MB 4.000 . 6.000 4.893 4.372 5.099 . 0 0 "[ . 1 . ]" 1
641 1 5 PHE HB2 1 6 ALA H 4.000 . 6.000 3.246 2.756 3.449 . 0 0 "[ . 1 . ]" 1
642 1 5 PHE HB2 1 9 LEU HB2 4.000 . 6.000 5.772 5.464 5.922 . 0 0 "[ . 1 . ]" 1
643 1 5 PHE QB 1 6 ALA H 4.000 . 6.000 2.132 1.951 2.374 . 0 0 "[ . 1 . ]" 1
644 1 5 PHE H 1 5 PHE QD 4.000 . 6.000 3.815 2.815 4.138 . 0 0 "[ . 1 . ]" 1
645 1 5 PHE QD 1 6 ALA H 4.000 . 6.000 3.852 3.252 4.392 . 0 0 "[ . 1 . ]" 1
646 1 5 PHE QD 1 8 MET HB3 4.000 . 6.000 5.195 4.180 5.742 . 0 0 "[ . 1 . ]" 1
647 1 5 PHE QD 1 9 LEU HB3 4.000 . 6.000 5.063 4.174 5.979 . 0 0 "[ . 1 . ]" 1
648 1 5 PHE QD 1 9 LEU QD 4.000 . 6.000 2.719 2.219 3.292 . 0 0 "[ . 1 . ]" 1
649 1 4 ALA HA 1 5 PHE H 4.000 . 6.000 3.547 3.527 3.571 . 0 0 "[ . 1 . ]" 1
650 1 5 PHE H 1 5 PHE HB3 4.000 . 6.000 3.005 2.729 3.395 . 0 0 "[ . 1 . ]" 1
651 1 5 PHE H 1 5 PHE HB2 4.000 . 6.000 2.224 2.097 2.426 . 0 0 "[ . 1 . ]" 1
652 1 5 PHE H 1 6 ALA HA 4.000 . 6.000 5.471 5.367 5.611 . 0 0 "[ . 1 . ]" 1
653 1 5 PHE H 1 6 ALA H 4.000 . 6.000 2.898 2.743 3.091 . 0 0 "[ . 1 . ]" 1
654 1 5 PHE H 1 7 SER H 4.000 . 6.000 3.962 3.828 4.199 . 0 0 "[ . 1 . ]" 1
655 1 5 PHE H 1 8 MET HB2 4.000 . 6.000 4.989 4.785 5.300 . 0 0 "[ . 1 . ]" 1
656 1 5 PHE H 1 8 MET H 4.000 . 6.000 4.741 4.638 4.889 . 0 0 "[ . 1 . ]" 1
657 1 5 PHE H 1 9 LEU H 4.000 . 6.000 5.673 5.540 5.771 . 0 0 "[ . 1 . ]" 1
658 1 6 ALA MB 1 7 SER H 4.000 . 6.000 2.552 2.435 2.713 . 0 0 "[ . 1 . ]" 1
659 1 6 ALA MB 1 8 MET H 4.000 . 6.000 4.877 4.742 5.010 . 0 0 "[ . 1 . ]" 1
660 1 6 ALA MB 1 9 LEU H 4.000 . 6.000 4.697 4.357 4.961 . 0 0 "[ . 1 . ]" 1
661 1 3 PHE HA 1 6 ALA H 4.000 . 6.000 3.598 3.179 4.245 . 0 0 "[ . 1 . ]" 1
662 1 4 ALA H 1 6 ALA H 4.000 . 6.000 4.446 4.217 4.917 . 0 0 "[ . 1 . ]" 1
663 1 5 PHE HA 1 6 ALA H 4.000 . 6.000 3.580 3.568 3.588 . 0 0 "[ . 1 . ]" 1
664 1 6 ALA H 1 7 SER H 4.000 . 6.000 2.850 2.754 2.948 . 0 0 "[ . 1 . ]" 1
665 1 6 ALA H 1 9 LEU HB3 4.000 . 6.000 5.615 5.122 5.878 . 0 0 "[ . 1 . ]" 1
666 1 6 ALA H 1 9 LEU HG 4.000 . 6.000 5.682 5.176 6.046 0.046 13 0 "[ . 1 . ]" 1
667 1 7 SER HA 1 8 MET HA 4.000 . 6.000 4.817 4.782 4.858 . 0 0 "[ . 1 . ]" 1
668 1 7 SER HA 1 8 MET HG3 4.000 . 6.000 6.025 5.789 6.139 0.139 5 0 "[ . 1 . ]" 1
669 1 7 SER HA 1 9 LEU H 4.000 . 6.000 4.424 4.005 4.736 . 0 0 "[ . 1 . ]" 1
670 1 7 SER HB3 1 11 LEU HB3 4.000 . 6.000 5.978 5.547 6.083 0.083 15 0 "[ . 1 . ]" 1
671 1 7 SER HB3 1 11 LEU HB2 4.000 . 6.000 4.653 4.457 4.918 . 0 0 "[ . 1 . ]" 1
672 1 7 SER HB3 1 8 MET H 4.000 . 6.000 3.318 3.163 3.456 . 0 0 "[ . 1 . ]" 1
673 1 7 SER H 1 7 SER HB2 4.000 . 6.000 2.587 2.369 2.706 . 0 0 "[ . 1 . ]" 1
674 1 7 SER HB2 1 8 MET HA 4.000 . 6.000 4.206 4.066 4.447 . 0 0 "[ . 1 . ]" 1
675 1 7 SER HB2 1 8 MET HB2 4.000 . 6.000 4.089 3.909 4.366 . 0 0 "[ . 1 . ]" 1
676 1 7 SER HB2 1 9 LEU HB2 4.000 . 6.000 6.048 6.007 6.080 0.080 14 0 "[ . 1 . ]" 1
677 1 7 SER HB2 1 9 LEU H 4.000 . 6.000 4.583 4.373 4.794 . 0 0 "[ . 1 . ]" 1
678 1 7 SER H 1 7 SER HB3 4.000 . 6.000 3.613 3.588 3.629 . 0 0 "[ . 1 . ]" 1
679 1 7 SER H 1 8 MET HA 4.000 . 6.000 5.445 5.385 5.507 . 0 0 "[ . 1 . ]" 1
680 1 7 SER H 1 8 MET HB3 4.000 . 6.000 6.019 5.951 6.052 0.052 12 0 "[ . 1 . ]" 1
681 1 7 SER H 1 8 MET H 4.000 . 6.000 2.862 2.772 2.943 . 0 0 "[ . 1 . ]" 1
682 1 7 SER H 1 9 LEU HB3 4.000 . 6.000 5.698 5.169 6.020 0.020 5 0 "[ . 1 . ]" 1
683 1 8 MET HA 1 11 LEU HG 4.000 . 6.000 5.276 4.520 5.865 . 0 0 "[ . 1 . ]" 1
684 1 8 MET HA 1 12 LEU HA 4.000 . 6.000 5.477 5.114 5.731 . 0 0 "[ . 1 . ]" 1
685 1 8 MET HA 1 12 LEU QD 4.000 . 6.000 3.291 2.350 3.941 . 0 0 "[ . 1 . ]" 1
686 1 8 MET HA 1 8 MET HG3 4.000 . 6.000 2.426 2.057 2.814 . 0 0 "[ . 1 . ]" 1
687 1 8 MET HA 1 8 MET HG2 4.000 . 6.000 2.533 2.233 3.265 . 0 0 "[ . 1 . ]" 1
688 1 8 MET HA 1 9 LEU H 4.000 . 6.000 3.520 3.461 3.553 . 0 0 "[ . 1 . ]" 1
689 1 8 MET HB3 1 11 LEU HB3 4.000 . 6.000 5.432 4.688 6.047 0.047 10 0 "[ . 1 . ]" 1
690 1 8 MET HB3 1 11 LEU HB2 4.000 . 6.000 5.313 4.757 6.043 0.043 5 0 "[ . 1 . ]" 1
691 1 8 MET HB3 1 12 LEU HB3 4.000 . 6.000 4.875 2.941 5.565 . 0 0 "[ . 1 . ]" 1
692 1 8 MET HB3 1 12 LEU HB2 4.000 . 6.000 3.657 2.945 4.449 . 0 0 "[ . 1 . ]" 1
693 1 8 MET HB3 1 12 LEU HG 4.000 . 6.000 4.379 3.348 5.605 . 0 0 "[ . 1 . ]" 1
694 1 8 MET HB3 1 12 LEU H 4.000 . 6.000 4.262 3.650 4.537 . 0 0 "[ . 1 . ]" 1
695 1 8 MET H 1 8 MET HB3 4.000 . 6.000 3.486 3.412 3.555 . 0 0 "[ . 1 . ]" 1
696 1 8 MET HB3 1 9 LEU HB3 4.000 . 6.000 6.011 5.849 6.071 0.071 15 0 "[ . 1 . ]" 1
697 1 8 MET HB3 1 9 LEU HB2 4.000 . 6.000 4.931 4.717 5.089 . 0 0 "[ . 1 . ]" 1
698 1 8 MET HB3 1 9 LEU QD 4.000 . 6.000 4.124 2.854 5.355 . 0 0 "[ . 1 . ]" 1
699 1 8 MET HB2 1 9 LEU HB2 4.000 . 6.000 4.689 4.371 5.049 . 0 0 "[ . 1 . ]" 1
700 1 8 MET HB2 1 9 LEU HG 4.000 . 6.000 5.797 4.790 6.093 0.093 18 0 "[ . 1 . ]" 1
701 1 8 MET HB2 1 9 LEU H 4.000 . 6.000 2.841 2.472 3.196 . 0 0 "[ . 1 . ]" 1
702 1 8 MET HG3 1 11 LEU QD 4.000 . 6.000 4.288 3.639 5.123 . 0 0 "[ . 1 . ]" 1
703 1 8 MET HG3 1 12 LEU HB2 4.000 . 6.000 5.673 5.015 6.068 0.068 17 0 "[ . 1 . ]" 1
704 1 8 MET H 1 8 MET HG3 4.000 . 6.000 3.055 2.686 3.358 . 0 0 "[ . 1 . ]" 1
705 1 8 MET HG2 1 11 LEU HB3 4.000 . 6.000 4.781 3.917 5.367 . 0 0 "[ . 1 . ]" 1
706 1 8 MET HG2 1 11 LEU HB2 4.000 . 6.000 4.964 4.229 5.779 . 0 0 "[ . 1 . ]" 1
707 1 8 MET HG2 1 11 LEU QD 4.000 . 6.000 4.453 3.580 5.054 . 0 0 "[ . 1 . ]" 1
708 1 8 MET HG2 1 12 LEU HA 4.000 . 6.000 5.958 5.653 6.091 0.091 18 0 "[ . 1 . ]" 1
709 1 8 MET HG2 1 12 LEU HB3 4.000 . 6.000 5.545 3.977 6.123 0.123 5 0 "[ . 1 . ]" 1
710 1 8 MET HG2 1 12 LEU HB2 4.000 . 6.000 4.467 3.617 5.488 . 0 0 "[ . 1 . ]" 1
711 1 8 MET HG2 1 12 LEU H 4.000 . 6.000 4.506 4.136 4.852 . 0 0 "[ . 1 . ]" 1
712 1 8 MET H 1 8 MET HG2 4.000 . 6.000 4.151 3.797 4.408 . 0 0 "[ . 1 . ]" 1
713 1 8 MET H 1 10 CYS H 4.000 . 6.000 4.665 4.464 5.054 . 0 0 "[ . 1 . ]" 1
714 1 8 MET H 1 8 MET HB2 4.000 . 6.000 2.172 2.109 2.266 . 0 0 "[ . 1 . ]" 1
715 1 8 MET H 1 9 LEU HB3 4.000 . 6.000 5.806 5.410 6.040 0.040 16 0 "[ . 1 . ]" 1
716 1 8 MET H 1 9 LEU H 4.000 . 6.000 2.725 2.571 2.830 . 0 0 "[ . 1 . ]" 1
717 1 9 LEU HA 1 9 LEU HG 4.000 . 6.000 2.929 2.251 3.565 . 0 0 "[ . 1 . ]" 1
718 1 9 LEU H 1 9 LEU HB3 4.000 . 6.000 3.323 3.009 3.472 . 0 0 "[ . 1 . ]" 1
719 1 9 LEU H 1 9 LEU HB2 4.000 . 6.000 2.098 2.055 2.148 . 0 0 "[ . 1 . ]" 1
720 1 9 LEU QD 1 10 CYS H 4.000 . 6.000 3.646 3.284 3.909 . 0 0 "[ . 1 . ]" 1
721 1 9 LEU QD 1 12 LEU HB2 4.000 . 6.000 4.156 2.980 5.731 . 0 0 "[ . 1 . ]" 1
722 1 9 LEU QD 1 13 ASN HD21 4.000 . 6.000 3.200 2.709 3.751 . 0 0 "[ . 1 . ]" 1
723 1 9 LEU QD 1 23 LEU HB3 4.000 . 6.000 4.486 3.646 5.556 . 0 0 "[ . 1 . ]" 1
724 1 9 LEU QD 1 23 LEU HB2 4.000 . 6.000 4.961 3.820 5.832 . 0 0 "[ . 1 . ]" 1
725 1 9 LEU QD 1 23 LEU MD1 4.000 . 6.000 2.716 1.699 4.272 0.101 10 0 "[ . 1 . ]" 1
726 1 9 LEU HA 1 9 LEU QD 4.000 . 6.000 2.025 1.813 2.343 . 0 0 "[ . 1 . ]" 1
727 1 9 LEU H 1 9 LEU QD 4.000 . 6.000 3.000 2.283 3.747 . 0 0 "[ . 1 . ]" 1
728 1 9 LEU HG 1 13 ASN HD21 4.000 . 6.000 5.928 5.581 6.070 0.070 18 0 "[ . 1 . ]" 1
729 1 9 LEU H 1 9 LEU HG 4.000 . 6.000 3.835 3.081 4.159 . 0 0 "[ . 1 . ]" 1
730 1 5 PHE HA 1 9 LEU H 4.000 . 6.000 3.622 3.298 3.930 . 0 0 "[ . 1 . ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 40
_Distance_constraint_stats_list.Viol_count 222
_Distance_constraint_stats_list.Viol_total 257.072
_Distance_constraint_stats_list.Viol_max 0.225
_Distance_constraint_stats_list.Viol_rms 0.0405
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0198
_Distance_constraint_stats_list.Viol_average_violations_only 0.0643
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 THR 0.315 0.112 18 0 "[ . 1 . ]"
1 2 VAL 1.726 0.191 10 0 "[ . 1 . ]"
1 3 PHE 0.060 0.034 7 0 "[ . 1 . ]"
1 4 ALA 0.663 0.122 5 0 "[ . 1 . ]"
1 5 PHE 2.950 0.219 10 0 "[ . 1 . ]"
1 6 ALA 2.252 0.191 10 0 "[ . 1 . ]"
1 7 SER 0.303 0.044 15 0 "[ . 1 . ]"
1 8 MET 2.111 0.225 18 0 "[ . 1 . ]"
1 9 LEU 3.013 0.219 10 0 "[ . 1 . ]"
1 10 CYS 1.223 0.135 18 0 "[ . 1 . ]"
1 11 LEU 0.501 0.059 6 0 "[ . 1 . ]"
1 12 LEU 1.591 0.225 18 0 "[ . 1 . ]"
1 13 ASN 0.378 0.067 18 0 "[ . 1 . ]"
1 14 SER 0.696 0.120 18 0 "[ . 1 . ]"
1 15 THR 0.258 0.059 6 0 "[ . 1 . ]"
1 16 VAL 0.143 0.054 9 0 "[ . 1 . ]"
1 25 SER 0.211 0.063 15 0 "[ . 1 . ]"
1 26 LYS 0.213 0.099 10 0 "[ . 1 . ]"
1 27 ASP 0.061 0.033 8 0 "[ . 1 . ]"
1 28 LEU 1.372 0.197 10 0 "[ . 1 . ]"
1 29 ARG 1.358 0.164 13 0 "[ . 1 . ]"
1 30 HIS 0.745 0.111 18 0 "[ . 1 . ]"
1 31 ALA 1.264 0.150 14 0 "[ . 1 . ]"
1 32 PHE 1.822 0.197 10 0 "[ . 1 . ]"
1 33 ARG 1.147 0.164 13 0 "[ . 1 . ]"
1 34 SER 0.532 0.111 18 0 "[ . 1 . ]"
1 35 MET 1.203 0.150 14 0 "[ . 1 . ]"
1 36 PHE 0.450 0.071 8 0 "[ . 1 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR O 1 5 PHE N 3.000 2.300 3.500 3.204 2.708 3.612 0.112 18 0 "[ . 1 . ]" 2
2 1 1 THR O 1 5 PHE H 2.500 . 3.000 2.277 1.750 2.716 0.050 4 0 "[ . 1 . ]" 2
3 1 2 VAL O 1 6 ALA N 3.000 2.300 3.500 2.631 2.479 2.723 . 0 0 "[ . 1 . ]" 2
4 1 2 VAL O 1 6 ALA H 2.500 . 3.000 1.704 1.609 1.771 0.191 10 0 "[ . 1 . ]" 2
5 1 3 PHE O 1 7 SER N 3.000 2.300 3.500 2.808 2.655 3.199 . 0 0 "[ . 1 . ]" 2
6 1 3 PHE O 1 7 SER H 2.500 . 3.000 1.914 1.766 2.388 0.034 7 0 "[ . 1 . ]" 2
7 1 4 ALA O 1 8 MET N 3.000 2.300 3.500 2.773 2.650 3.081 . 0 0 "[ . 1 . ]" 2
8 1 4 ALA O 1 8 MET H 2.500 . 3.000 1.803 1.678 2.102 0.122 5 0 "[ . 1 . ]" 2
9 1 5 PHE O 1 9 LEU N 3.000 2.300 3.500 2.587 2.498 2.633 . 0 0 "[ . 1 . ]" 2
10 1 5 PHE O 1 9 LEU H 2.500 . 3.000 1.654 1.581 1.706 0.219 10 0 "[ . 1 . ]" 2
11 1 6 ALA O 1 10 CYS N 3.000 2.300 3.500 2.843 2.587 3.374 . 0 0 "[ . 1 . ]" 2
12 1 6 ALA O 1 10 CYS H 2.500 . 3.000 1.889 1.665 2.415 0.135 18 0 "[ . 1 . ]" 2
13 1 7 SER O 1 11 LEU N 3.000 2.300 3.500 2.808 2.667 3.149 . 0 0 "[ . 1 . ]" 2
14 1 7 SER O 1 11 LEU H 2.500 . 3.000 1.862 1.756 2.205 0.044 15 0 "[ . 1 . ]" 2
15 1 8 MET O 1 12 LEU N 3.000 2.300 3.500 2.519 2.410 2.669 . 0 0 "[ . 1 . ]" 2
16 1 8 MET O 1 12 LEU H 2.500 . 3.000 1.758 1.575 2.153 0.225 18 0 "[ . 1 . ]" 2
17 1 9 LEU O 1 13 ASN N 3.000 2.300 3.500 2.678 2.496 3.035 . 0 0 "[ . 1 . ]" 2
18 1 9 LEU O 1 13 ASN H 2.500 . 3.000 1.864 1.733 2.243 0.067 18 0 "[ . 1 . ]" 2
19 1 10 CYS O 1 14 SER N 3.000 2.300 3.500 3.034 2.588 3.588 0.088 10 0 "[ . 1 . ]" 2
20 1 10 CYS O 1 14 SER H 2.500 . 3.000 2.211 1.680 2.984 0.120 18 0 "[ . 1 . ]" 2
21 1 11 LEU O 1 15 THR N 3.000 2.300 3.500 3.148 2.757 3.537 0.037 16 0 "[ . 1 . ]" 2
22 1 11 LEU O 1 15 THR H 2.500 . 3.000 2.442 1.815 3.059 0.059 6 0 "[ . 1 . ]" 2
23 1 12 LEU O 1 16 VAL N 3.000 2.300 3.500 3.244 2.691 3.533 0.033 7 0 "[ . 1 . ]" 2
24 1 12 LEU O 1 16 VAL H 2.500 . 3.000 2.514 1.746 2.935 0.054 9 0 "[ . 1 . ]" 2
25 1 25 SER O 1 29 ARG N 3.000 2.300 3.500 2.994 2.674 3.464 . 0 0 "[ . 1 . ]" 2
26 1 25 SER O 1 29 ARG H 2.500 . 3.000 2.232 1.737 3.008 0.063 15 0 "[ . 1 . ]" 2
27 1 26 LYS O 1 30 HIS N 3.000 2.300 3.500 3.240 2.722 3.599 0.099 10 0 "[ . 1 . ]" 2
28 1 26 LYS O 1 30 HIS H 2.500 . 3.000 2.351 1.884 2.727 . 0 0 "[ . 1 . ]" 2
29 1 27 ASP O 1 31 ALA N 3.000 2.300 3.500 3.092 2.715 3.515 0.015 1 0 "[ . 1 . ]" 2
30 1 27 ASP O 1 31 ALA H 2.500 . 3.000 2.267 1.767 2.744 0.033 8 0 "[ . 1 . ]" 2
31 1 28 LEU O 1 32 PHE N 3.000 2.300 3.500 2.854 2.352 3.611 0.111 11 0 "[ . 1 . ]" 2
32 1 28 LEU O 1 32 PHE H 2.500 . 3.000 2.149 1.603 3.009 0.197 10 0 "[ . 1 . ]" 2
33 1 29 ARG O 1 33 ARG N 3.000 2.300 3.500 2.719 2.389 3.186 . 0 0 "[ . 1 . ]" 2
34 1 29 ARG O 1 33 ARG H 2.500 . 3.000 1.781 1.636 2.258 0.164 13 0 "[ . 1 . ]" 2
35 1 30 HIS O 1 34 SER N 3.000 2.300 3.500 2.717 2.419 2.999 . 0 0 "[ . 1 . ]" 2
36 1 30 HIS O 1 34 SER H 2.500 . 3.000 2.555 1.689 3.066 0.111 18 0 "[ . 1 . ]" 2
37 1 31 ALA O 1 35 MET N 3.000 2.300 3.500 2.603 2.241 3.536 0.059 1 0 "[ . 1 . ]" 2
38 1 31 ALA O 1 35 MET H 2.500 . 3.000 1.996 1.650 3.068 0.150 14 0 "[ . 1 . ]" 2
39 1 32 PHE O 1 36 PHE N 3.000 2.300 3.500 3.294 2.569 3.544 0.044 1 0 "[ . 1 . ]" 2
40 1 32 PHE O 1 36 PHE H 2.500 . 3.000 2.907 2.111 3.071 0.071 8 0 "[ . 1 . ]" 2
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