NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401807 |
1w4g   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w4g
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 595
_Distance_constraint_stats_list.Viol_count 290
_Distance_constraint_stats_list.Viol_total 181.083
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0008
_Distance_constraint_stats_list.Viol_average_violations_only 0.0312
_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 3 ASN 0.001 0.001 18 0 "[ . 1 . 2]"
1 4 ARG 0.094 0.038 12 0 "[ . 1 . 2]"
1 5 ARG 0.093 0.038 12 0 "[ . 1 . 2]"
1 6 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.002 0.002 8 0 "[ . 1 . 2]"
1 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.219 0.029 10 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.788 0.051 14 0 "[ . 1 . 2]"
1 13 ARG 1.471 0.051 14 0 "[ . 1 . 2]"
1 14 LYS 0.075 0.016 1 0 "[ . 1 . 2]"
1 15 TRP 2.337 0.075 16 0 "[ . 1 . 2]"
1 16 ALA 2.488 0.070 16 0 "[ . 1 . 2]"
1 17 ARG 0.091 0.016 1 0 "[ . 1 . 2]"
1 18 GLU 0.363 0.031 8 0 "[ . 1 . 2]"
1 19 LYS 0.003 0.003 14 0 "[ . 1 . 2]"
1 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 1.087 0.070 16 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ILE 0.002 0.002 8 0 "[ . 1 . 2]"
1 24 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 LEU 1.077 0.065 1 0 "[ . 1 . 2]"
1 26 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.288 0.092 2 0 "[ . 1 . 2]"
1 31 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ARG 0.014 0.014 18 0 "[ . 1 . 2]"
1 35 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LEU 0.301 0.092 2 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 0.326 0.027 2 0 "[ . 1 . 2]"
1 40 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.048 0.013 2 0 "[ . 1 . 2]"
1 42 ALA 0.326 0.027 2 0 "[ . 1 . 2]"
1 43 PHE 0.996 0.089 17 0 "[ . 1 . 2]"
1 44 LEU 2.235 0.089 17 0 "[ . 1 . 2]"
1 45 ALA 0.229 0.040 9 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ARG QB 1 4 ARG QD 3.000 . 3.500 2.096 1.941 2.418 . 0 0 "[ . 1 . 2]" 1
2 1 5 ARG H 1 5 ARG QB 3.000 . 3.500 2.401 2.068 3.072 . 0 0 "[ . 1 . 2]" 1
3 1 5 ARG H 1 5 ARG QG 4.000 . 4.750 3.117 1.971 4.124 . 0 0 "[ . 1 . 2]" 1
4 1 5 ARG H 1 5 ARG QD 5.000 . 6.000 4.180 2.434 4.868 . 0 0 "[ . 1 . 2]" 1
5 1 5 ARG QB 1 5 ARG QD 3.000 . 3.500 2.127 1.937 2.499 . 0 0 "[ . 1 . 2]" 1
6 1 6 VAL H 1 6 VAL HA 3.000 . 3.500 2.911 2.799 2.950 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL H 1 6 VAL HB 3.000 . 3.500 2.685 2.608 2.822 . 0 0 "[ . 1 . 2]" 1
8 1 6 VAL H 1 6 VAL MG2 4.000 . 4.750 2.353 1.959 2.824 . 0 0 "[ . 1 . 2]" 1
9 1 6 VAL HA 1 6 VAL HB 3.000 . 3.500 3.019 3.015 3.021 . 0 0 "[ . 1 . 2]" 1
10 1 7 ILE H 1 7 ILE HB 3.000 . 3.500 2.726 2.591 2.817 . 0 0 "[ . 1 . 2]" 1
11 1 7 ILE H 1 7 ILE MG 4.000 . 4.750 3.879 3.796 3.925 . 0 0 "[ . 1 . 2]" 1
12 1 7 ILE H 1 7 ILE QG 4.000 . 4.750 2.759 2.297 3.244 . 0 0 "[ . 1 . 2]" 1
13 1 7 ILE HA 1 7 ILE HB 3.000 . 3.500 3.016 3.013 3.020 . 0 0 "[ . 1 . 2]" 1
14 1 7 ILE HA 1 7 ILE MG 3.000 . 3.500 2.329 2.254 2.384 . 0 0 "[ . 1 . 2]" 1
15 1 7 ILE HA 1 7 ILE QG 3.000 . 3.500 2.583 2.403 3.043 . 0 0 "[ . 1 . 2]" 1
16 1 7 ILE QG 1 7 ILE MG 3.000 . 3.500 2.108 1.945 2.362 . 0 0 "[ . 1 . 2]" 1
17 1 9 MET H 1 9 MET HB2 4.000 . 4.750 2.405 2.124 2.733 . 0 0 "[ . 1 . 2]" 1
18 1 9 MET H 1 9 MET QG 4.000 . 4.750 2.705 1.965 3.835 . 0 0 "[ . 1 . 2]" 1
19 1 9 MET HA 1 9 MET HB3 3.000 . 3.500 2.541 2.354 2.774 . 0 0 "[ . 1 . 2]" 1
20 1 9 MET HA 1 9 MET HB2 3.000 . 3.500 2.996 2.918 3.023 . 0 0 "[ . 1 . 2]" 1
21 1 9 MET HA 1 9 MET ME 4.000 . 4.750 3.327 1.893 3.950 . 0 0 "[ . 1 . 2]" 1
22 1 9 MET HA 1 9 MET QG 3.000 . 3.500 2.448 2.100 2.890 . 0 0 "[ . 1 . 2]" 1
23 1 9 MET HB3 1 9 MET ME 4.000 . 4.750 2.445 1.921 3.824 . 0 0 "[ . 1 . 2]" 1
24 1 9 MET HB2 1 9 MET ME 4.000 . 4.750 3.137 1.982 3.954 . 0 0 "[ . 1 . 2]" 1
25 1 12 VAL H 1 12 VAL HB 3.000 . 3.500 2.555 2.512 2.588 . 0 0 "[ . 1 . 2]" 1
26 1 12 VAL H 1 12 VAL MG2 4.000 . 4.750 2.133 2.063 2.197 . 0 0 "[ . 1 . 2]" 1
27 1 12 VAL HA 1 12 VAL MG1 3.000 . 3.500 2.415 2.352 2.437 . 0 0 "[ . 1 . 2]" 1
28 1 12 VAL HA 1 12 VAL MG2 3.000 . 3.500 2.436 2.417 2.459 . 0 0 "[ . 1 . 2]" 1
29 1 13 ARG H 1 13 ARG QB 3.000 . 3.500 2.193 2.127 2.259 . 0 0 "[ . 1 . 2]" 1
30 1 13 ARG H 1 13 ARG QG 3.000 . 3.500 2.853 2.729 2.992 . 0 0 "[ . 1 . 2]" 1
31 1 13 ARG H 1 13 ARG QD 5.000 . 6.000 4.414 4.250 4.535 . 0 0 "[ . 1 . 2]" 1
32 1 13 ARG HA 1 13 ARG QG 3.000 . 3.500 2.276 2.118 2.417 . 0 0 "[ . 1 . 2]" 1
33 1 13 ARG QB 1 13 ARG QD 3.000 . 3.500 2.090 1.916 2.618 . 0 0 "[ . 1 . 2]" 1
34 1 14 LYS H 1 14 LYS HA 3.000 . 3.500 2.822 2.803 2.852 . 0 0 "[ . 1 . 2]" 1
35 1 14 LYS H 1 14 LYS QB 3.000 . 3.500 2.376 2.152 2.883 . 0 0 "[ . 1 . 2]" 1
36 1 14 LYS H 1 14 LYS QG 4.000 . 4.750 3.275 1.831 3.910 . 0 0 "[ . 1 . 2]" 1
37 1 14 LYS H 1 14 LYS QD 5.000 . 6.000 4.072 1.990 4.704 . 0 0 "[ . 1 . 2]" 1
38 1 14 LYS QB 1 14 LYS QD 3.000 . 3.500 2.217 2.052 2.554 . 0 0 "[ . 1 . 2]" 1
39 1 15 TRP H 1 15 TRP HA 3.000 . 3.500 2.801 2.785 2.812 . 0 0 "[ . 1 . 2]" 1
40 1 15 TRP H 1 15 TRP HB3 3.000 . 3.500 2.346 2.329 2.378 . 0 0 "[ . 1 . 2]" 1
41 1 15 TRP H 1 15 TRP HB2 3.000 . 3.500 2.678 2.631 2.709 . 0 0 "[ . 1 . 2]" 1
42 1 15 TRP H 1 15 TRP HD1 4.000 . 4.750 4.791 4.772 4.825 0.075 16 0 "[ . 1 . 2]" 1
43 1 15 TRP HA 1 15 TRP HB3 3.000 . 3.500 3.016 3.014 3.019 . 0 0 "[ . 1 . 2]" 1
44 1 15 TRP HA 1 15 TRP HD1 4.000 . 4.750 4.643 4.594 4.672 . 0 0 "[ . 1 . 2]" 1
45 1 15 TRP HA 1 15 TRP HE3 3.000 . 3.500 2.493 2.429 2.547 . 0 0 "[ . 1 . 2]" 1
46 1 15 TRP HA 1 15 TRP HZ3 4.000 . 4.750 4.757 4.713 4.784 0.034 14 0 "[ . 1 . 2]" 1
47 1 15 TRP HB3 1 15 TRP HD1 3.000 . 3.500 2.540 2.523 2.548 . 0 0 "[ . 1 . 2]" 1
48 1 15 TRP HB3 1 15 TRP HE3 4.000 . 4.750 4.210 4.192 4.220 . 0 0 "[ . 1 . 2]" 1
49 1 15 TRP HB2 1 15 TRP HE3 3.000 . 3.500 2.860 2.808 2.904 . 0 0 "[ . 1 . 2]" 1
50 1 16 ALA H 1 16 ALA HA 3.000 . 3.500 2.805 2.783 2.819 . 0 0 "[ . 1 . 2]" 1
51 1 16 ALA H 1 16 ALA MB 3.000 . 3.500 2.136 2.073 2.190 . 0 0 "[ . 1 . 2]" 1
52 1 17 ARG H 1 17 ARG QB 3.000 . 3.500 2.263 2.089 2.388 . 0 0 "[ . 1 . 2]" 1
53 1 17 ARG H 1 17 ARG QG 4.000 . 4.750 3.439 2.342 4.053 . 0 0 "[ . 1 . 2]" 1
54 1 17 ARG H 1 17 ARG QD 5.000 . 6.000 4.255 3.624 4.544 . 0 0 "[ . 1 . 2]" 1
55 1 17 ARG HA 1 17 ARG QG 3.000 . 3.500 2.370 2.110 2.716 . 0 0 "[ . 1 . 2]" 1
56 1 17 ARG HA 1 17 ARG QD 4.000 . 4.750 3.539 2.489 4.070 . 0 0 "[ . 1 . 2]" 1
57 1 17 ARG QB 1 17 ARG QD 3.000 . 3.500 2.131 1.931 2.630 . 0 0 "[ . 1 . 2]" 1
58 1 18 GLU H 1 18 GLU HA 3.000 . 3.500 2.871 2.837 2.889 . 0 0 "[ . 1 . 2]" 1
59 1 18 GLU H 1 18 GLU QB 3.000 . 3.500 2.226 2.099 2.334 . 0 0 "[ . 1 . 2]" 1
60 1 18 GLU H 1 18 GLU QG 3.000 . 3.500 2.848 2.612 3.120 . 0 0 "[ . 1 . 2]" 1
61 1 19 LYS H 1 19 LYS HA 3.000 . 3.500 2.909 2.851 2.925 . 0 0 "[ . 1 . 2]" 1
62 1 19 LYS H 1 19 LYS QB 3.000 . 3.500 2.325 2.109 2.668 . 0 0 "[ . 1 . 2]" 1
63 1 19 LYS H 1 19 LYS QG 4.000 . 4.750 3.339 1.950 4.084 . 0 0 "[ . 1 . 2]" 1
64 1 19 LYS H 1 19 LYS QD 5.000 . 6.000 3.648 2.331 4.547 . 0 0 "[ . 1 . 2]" 1
65 1 19 LYS HA 1 19 LYS QD 3.000 . 3.500 2.873 2.074 3.132 . 0 0 "[ . 1 . 2]" 1
66 1 19 LYS QB 1 19 LYS QD 3.000 . 3.500 2.139 1.934 2.709 . 0 0 "[ . 1 . 2]" 1
67 1 21 VAL H 1 21 VAL HA 3.000 . 3.500 2.905 2.873 2.939 . 0 0 "[ . 1 . 2]" 1
68 1 21 VAL H 1 21 VAL HB 3.000 . 3.500 2.619 2.558 2.655 . 0 0 "[ . 1 . 2]" 1
69 1 21 VAL H 1 21 VAL MG2 4.000 . 4.750 2.404 2.254 2.584 . 0 0 "[ . 1 . 2]" 1
70 1 21 VAL HA 1 21 VAL MG2 3.000 . 3.500 2.394 2.348 2.414 . 0 0 "[ . 1 . 2]" 1
71 1 22 ASP H 1 22 ASP HB3 3.000 . 3.500 2.678 2.607 2.768 . 0 0 "[ . 1 . 2]" 1
72 1 22 ASP H 1 22 ASP HB2 3.000 . 3.500 2.819 2.725 2.913 . 0 0 "[ . 1 . 2]" 1
73 1 23 ILE H 1 23 ILE HA 3.000 . 3.500 2.764 2.713 2.803 . 0 0 "[ . 1 . 2]" 1
74 1 23 ILE H 1 23 ILE HB 3.000 . 3.500 2.210 2.162 2.266 . 0 0 "[ . 1 . 2]" 1
75 1 23 ILE H 1 23 ILE MG 3.000 . 3.500 2.745 2.588 2.875 . 0 0 "[ . 1 . 2]" 1
76 1 23 ILE H 1 23 ILE MD 5.000 . 6.000 3.559 3.380 3.661 . 0 0 "[ . 1 . 2]" 1
77 1 23 ILE H 1 23 ILE QG 4.000 . 4.750 4.020 3.938 4.065 . 0 0 "[ . 1 . 2]" 1
78 1 23 ILE HA 1 23 ILE HB 3.000 . 3.500 2.640 2.604 2.702 . 0 0 "[ . 1 . 2]" 1
79 1 23 ILE HA 1 23 ILE QG 3.000 . 3.500 2.344 2.098 2.597 . 0 0 "[ . 1 . 2]" 1
80 1 23 ILE HB 1 23 ILE MD 3.000 . 3.500 2.133 2.024 2.336 . 0 0 "[ . 1 . 2]" 1
81 1 24 ARG H 1 24 ARG QB 3.000 . 3.500 2.354 2.058 2.625 . 0 0 "[ . 1 . 2]" 1
82 1 24 ARG H 1 24 ARG QG 3.000 . 3.500 2.453 1.991 3.127 . 0 0 "[ . 1 . 2]" 1
83 1 24 ARG H 1 24 ARG QD 4.000 . 4.750 3.879 3.242 4.237 . 0 0 "[ . 1 . 2]" 1
84 1 24 ARG HA 1 24 ARG QG 3.000 . 3.500 2.439 2.182 3.176 . 0 0 "[ . 1 . 2]" 1
85 1 24 ARG QB 1 24 ARG QD 3.000 . 3.500 2.139 1.991 2.400 . 0 0 "[ . 1 . 2]" 1
86 1 25 LEU H 1 25 LEU HA 3.000 . 3.500 2.942 2.936 2.946 . 0 0 "[ . 1 . 2]" 1
87 1 25 LEU H 1 25 LEU HG 3.000 . 3.500 1.845 1.799 1.956 0.001 16 0 "[ . 1 . 2]" 1
88 1 25 LEU H 1 25 LEU MD1 5.000 . 6.000 2.757 2.277 2.920 . 0 0 "[ . 1 . 2]" 1
89 1 25 LEU H 1 25 LEU MD2 4.000 . 4.750 3.552 3.482 3.663 . 0 0 "[ . 1 . 2]" 1
90 1 25 LEU H 1 25 LEU QB 3.000 . 3.500 3.063 3.032 3.092 . 0 0 "[ . 1 . 2]" 1
91 1 25 LEU HA 1 25 LEU HG 3.000 . 3.500 3.554 3.527 3.565 0.065 1 0 "[ . 1 . 2]" 1
92 1 25 LEU QB 1 25 LEU MD1 3.000 . 3.500 2.188 2.120 2.256 . 0 0 "[ . 1 . 2]" 1
93 1 25 LEU QB 1 25 LEU MD2 3.000 . 3.500 2.067 2.059 2.076 . 0 0 "[ . 1 . 2]" 1
94 1 26 VAL H 1 26 VAL HB 3.000 . 3.500 2.766 2.575 2.807 . 0 0 "[ . 1 . 2]" 1
95 1 26 VAL H 1 26 VAL MG2 4.000 . 4.750 2.695 2.257 2.875 . 0 0 "[ . 1 . 2]" 1
96 1 27 GLN H 1 27 GLN QB 3.000 . 3.500 2.347 2.104 2.629 . 0 0 "[ . 1 . 2]" 1
97 1 27 GLN H 1 27 GLN QG 4.000 . 4.750 3.458 2.163 4.068 . 0 0 "[ . 1 . 2]" 1
98 1 27 GLN HA 1 27 GLN QE 5.000 . 6.000 4.375 2.059 5.119 . 0 0 "[ . 1 . 2]" 1
99 1 29 THR H 1 29 THR HB 4.000 . 4.750 3.574 2.913 3.787 . 0 0 "[ . 1 . 2]" 1
100 1 31 LYS HA 1 31 LYS QD 3.000 . 3.500 2.533 1.972 3.151 . 0 0 "[ . 1 . 2]" 1
101 1 31 LYS QB 1 31 LYS QD 3.000 . 3.500 2.354 2.111 2.632 . 0 0 "[ . 1 . 2]" 1
102 1 31 LYS QB 1 31 LYS QE 3.000 . 3.500 2.516 1.935 2.798 . 0 0 "[ . 1 . 2]" 1
103 1 34 ARG H 1 34 ARG QB 3.000 . 3.500 2.390 2.071 2.776 . 0 0 "[ . 1 . 2]" 1
104 1 34 ARG H 1 34 ARG QG 4.000 . 4.750 3.037 2.096 3.998 . 0 0 "[ . 1 . 2]" 1
105 1 34 ARG QB 1 34 ARG QD 3.000 . 3.500 2.132 1.946 2.476 . 0 0 "[ . 1 . 2]" 1
106 1 35 VAL H 1 35 VAL HB 3.000 . 3.500 2.631 2.582 2.738 . 0 0 "[ . 1 . 2]" 1
107 1 35 VAL H 1 35 VAL MG2 4.000 . 4.750 1.995 1.934 2.117 . 0 0 "[ . 1 . 2]" 1
108 1 35 VAL HA 1 35 VAL HB 3.000 . 3.500 3.019 3.009 3.023 . 0 0 "[ . 1 . 2]" 1
109 1 36 LEU H 1 36 LEU HB3 4.000 . 4.750 3.741 3.659 3.807 . 0 0 "[ . 1 . 2]" 1
110 1 36 LEU H 1 36 LEU HB2 4.000 . 4.750 2.833 2.796 3.000 . 0 0 "[ . 1 . 2]" 1
111 1 36 LEU H 1 36 LEU HG 4.000 . 4.750 2.331 1.994 3.981 . 0 0 "[ . 1 . 2]" 1
112 1 36 LEU HA 1 36 LEU HG 4.000 . 4.750 3.222 3.045 3.913 . 0 0 "[ . 1 . 2]" 1
113 1 36 LEU HA 1 36 LEU QD 4.000 . 4.750 2.496 2.221 2.673 . 0 0 "[ . 1 . 2]" 1
114 1 36 LEU HB3 1 36 LEU HG 3.000 . 3.500 2.965 2.371 3.007 . 0 0 "[ . 1 . 2]" 1
115 1 36 LEU HB3 1 36 LEU QD 3.000 . 3.500 2.083 1.981 2.333 . 0 0 "[ . 1 . 2]" 1
116 1 36 LEU HB2 1 36 LEU HG 3.000 . 3.500 2.607 2.517 2.683 . 0 0 "[ . 1 . 2]" 1
117 1 36 LEU HB2 1 36 LEU QD 3.000 . 3.500 2.030 1.949 2.107 . 0 0 "[ . 1 . 2]" 1
118 1 37 LYS H 1 37 LYS HB3 3.000 . 3.500 2.803 2.540 3.113 . 0 0 "[ . 1 . 2]" 1
119 1 37 LYS H 1 37 LYS HB2 3.000 . 3.500 2.316 2.103 2.518 . 0 0 "[ . 1 . 2]" 1
120 1 37 LYS HA 1 37 LYS HB3 3.000 . 3.500 2.994 2.942 3.026 . 0 0 "[ . 1 . 2]" 1
121 1 37 LYS HA 1 37 LYS HB2 3.000 . 3.500 2.573 2.444 2.738 . 0 0 "[ . 1 . 2]" 1
122 1 37 LYS HB3 1 37 LYS QD 3.000 . 3.500 2.632 1.958 3.123 . 0 0 "[ . 1 . 2]" 1
123 1 37 LYS HB3 1 37 LYS QE 4.000 . 4.750 2.964 2.047 3.758 . 0 0 "[ . 1 . 2]" 1
124 1 37 LYS HB2 1 37 LYS QD 3.000 . 3.500 2.516 1.957 3.119 . 0 0 "[ . 1 . 2]" 1
125 1 37 LYS HB2 1 37 LYS QE 4.000 . 4.750 2.973 1.949 3.738 . 0 0 "[ . 1 . 2]" 1
126 1 38 GLU H 1 38 GLU QB 3.000 . 3.500 2.318 2.239 2.489 . 0 0 "[ . 1 . 2]" 1
127 1 38 GLU H 1 38 GLU QG 4.000 . 4.750 3.190 2.237 3.985 . 0 0 "[ . 1 . 2]" 1
128 1 38 GLU HA 1 38 GLU QG 3.000 . 3.500 2.434 2.249 2.767 . 0 0 "[ . 1 . 2]" 1
129 1 39 ASP H 1 39 ASP HB3 4.000 . 4.750 3.566 3.551 3.589 . 0 0 "[ . 1 . 2]" 1
130 1 39 ASP H 1 39 ASP HB2 3.000 . 3.500 2.339 2.289 2.445 . 0 0 "[ . 1 . 2]" 1
131 1 39 ASP HA 1 39 ASP HB3 3.000 . 3.500 2.569 2.506 2.594 . 0 0 "[ . 1 . 2]" 1
132 1 40 ILE H 1 40 ILE HB 3.000 . 3.500 2.641 2.617 2.667 . 0 0 "[ . 1 . 2]" 1
133 1 40 ILE H 1 40 ILE MG 4.000 . 4.750 3.769 3.767 3.771 . 0 0 "[ . 1 . 2]" 1
134 1 40 ILE H 1 40 ILE MD 4.000 . 4.750 3.000 2.918 3.069 . 0 0 "[ . 1 . 2]" 1
135 1 40 ILE H 1 40 ILE QG 3.000 . 3.500 1.956 1.934 1.989 . 0 0 "[ . 1 . 2]" 1
136 1 40 ILE HA 1 40 ILE MG 3.000 . 3.500 2.258 2.239 2.285 . 0 0 "[ . 1 . 2]" 1
137 1 40 ILE HA 1 40 ILE MD 3.000 . 3.500 2.192 1.967 2.255 . 0 0 "[ . 1 . 2]" 1
138 1 40 ILE QG 1 40 ILE MG 3.000 . 3.500 2.239 2.201 2.267 . 0 0 "[ . 1 . 2]" 1
139 1 41 ASP H 1 41 ASP HA 3.000 . 3.500 2.785 2.772 2.802 . 0 0 "[ . 1 . 2]" 1
140 1 41 ASP H 1 41 ASP QB 3.000 . 3.500 2.162 2.052 2.371 . 0 0 "[ . 1 . 2]" 1
141 1 42 ALA H 1 42 ALA HA 3.000 . 3.500 2.867 2.846 2.880 . 0 0 "[ . 1 . 2]" 1
142 1 42 ALA H 1 42 ALA MB 3.000 . 3.500 2.182 2.101 2.257 . 0 0 "[ . 1 . 2]" 1
143 1 43 PHE H 1 43 PHE HA 3.000 . 3.500 2.807 2.796 2.818 . 0 0 "[ . 1 . 2]" 1
144 1 43 PHE H 1 43 PHE QB 3.000 . 3.500 2.236 2.225 2.243 . 0 0 "[ . 1 . 2]" 1
145 1 43 PHE H 1 43 PHE QD 4.000 . 4.750 4.159 4.144 4.170 . 0 0 "[ . 1 . 2]" 1
146 1 43 PHE HA 1 43 PHE QD 3.000 . 3.500 3.127 3.066 3.148 . 0 0 "[ . 1 . 2]" 1
147 1 43 PHE HA 1 43 PHE QE 5.000 . 6.000 4.781 4.727 4.819 . 0 0 "[ . 1 . 2]" 1
148 1 44 LEU H 1 44 LEU HA 3.000 . 3.500 2.872 2.835 2.901 . 0 0 "[ . 1 . 2]" 1
149 1 44 LEU H 1 44 LEU HB3 3.000 . 3.500 3.552 3.494 3.576 0.076 4 0 "[ . 1 . 2]" 1
150 1 44 LEU H 1 44 LEU HB2 3.000 . 3.500 2.403 2.198 2.704 . 0 0 "[ . 1 . 2]" 1
151 1 44 LEU H 1 44 LEU HG 4.000 . 4.750 3.531 1.981 4.277 . 0 0 "[ . 1 . 2]" 1
152 1 44 LEU H 1 44 LEU QD 4.000 . 4.750 2.170 1.922 2.675 . 0 0 "[ . 1 . 2]" 1
153 1 44 LEU HA 1 44 LEU HB3 3.000 . 3.500 2.501 2.348 2.643 . 0 0 "[ . 1 . 2]" 1
154 1 44 LEU HA 1 44 LEU HB2 3.000 . 3.500 3.005 2.983 3.014 . 0 0 "[ . 1 . 2]" 1
155 1 44 LEU HA 1 44 LEU HG 4.000 . 4.750 3.331 2.705 3.699 . 0 0 "[ . 1 . 2]" 1
156 1 44 LEU HA 1 44 LEU QD 4.000 . 4.750 2.190 1.890 2.889 . 0 0 "[ . 1 . 2]" 1
157 1 44 LEU HB3 1 44 LEU HG 3.000 . 3.500 2.499 2.337 2.931 . 0 0 "[ . 1 . 2]" 1
158 1 44 LEU HB3 1 44 LEU QD 3.000 . 3.500 2.266 1.948 2.449 . 0 0 "[ . 1 . 2]" 1
159 1 44 LEU HB2 1 44 LEU HG 3.000 . 3.500 2.649 2.501 3.004 . 0 0 "[ . 1 . 2]" 1
160 1 44 LEU HB2 1 44 LEU QD 3.000 . 3.500 2.158 2.037 2.212 . 0 0 "[ . 1 . 2]" 1
161 1 45 ALA H 1 45 ALA HA 3.000 . 3.500 2.894 2.821 2.929 . 0 0 "[ . 1 . 2]" 1
162 1 45 ALA H 1 45 ALA MB 3.000 . 3.500 2.273 2.148 2.346 . 0 0 "[ . 1 . 2]" 1
163 1 3 ASN HA 1 4 ARG H 3.000 . 3.500 2.605 2.147 3.501 0.001 18 0 "[ . 1 . 2]" 1
164 1 4 ARG H 1 5 ARG H 4.000 . 4.750 3.551 1.976 4.618 . 0 0 "[ . 1 . 2]" 1
165 1 4 ARG HA 1 5 ARG H 3.000 . 3.500 2.648 2.140 3.538 0.038 12 0 "[ . 1 . 2]" 1
166 1 5 ARG HA 1 6 VAL H 3.000 . 3.500 2.325 2.138 2.620 . 0 0 "[ . 1 . 2]" 1
167 1 6 VAL H 1 7 ILE H 5.000 . 6.000 4.517 4.285 4.640 . 0 0 "[ . 1 . 2]" 1
168 1 6 VAL HA 1 7 ILE H 3.000 . 3.500 2.275 2.141 2.365 . 0 0 "[ . 1 . 2]" 1
169 1 6 VAL HB 1 7 ILE H 5.000 . 6.000 3.763 3.504 4.234 . 0 0 "[ . 1 . 2]" 1
170 1 6 VAL MG1 1 7 ILE H 4.000 . 4.750 2.085 1.883 2.702 . 0 0 "[ . 1 . 2]" 1
171 1 6 VAL MG2 1 7 ILE H 5.000 . 6.000 3.981 3.865 4.187 . 0 0 "[ . 1 . 2]" 1
172 1 7 ILE H 1 8 ALA H 5.000 . 6.000 4.314 4.181 4.514 . 0 0 "[ . 1 . 2]" 1
173 1 7 ILE HA 1 8 ALA H 2.500 . 2.800 2.147 2.137 2.183 . 0 0 "[ . 1 . 2]" 1
174 1 7 ILE HA 1 8 ALA MB 5.000 . 6.000 3.989 3.881 4.044 . 0 0 "[ . 1 . 2]" 1
175 1 7 ILE MG 1 8 ALA H 4.000 . 4.750 2.629 2.117 2.927 . 0 0 "[ . 1 . 2]" 1
176 1 7 ILE QG 1 8 ALA H 5.000 . 6.000 4.401 4.164 4.759 . 0 0 "[ . 1 . 2]" 1
177 1 8 ALA HA 1 9 MET H 4.000 . 4.750 2.358 2.212 2.556 . 0 0 "[ . 1 . 2]" 1
178 1 8 ALA MB 1 9 MET H 5.000 . 6.000 2.571 2.212 2.899 . 0 0 "[ . 1 . 2]" 1
179 1 9 MET HA 1 10 PRO QD 3.000 . 3.500 2.045 1.950 2.228 . 0 0 "[ . 1 . 2]" 1
180 1 9 MET HB3 1 10 PRO QD 4.000 . 4.750 2.256 1.975 2.772 . 0 0 "[ . 1 . 2]" 1
181 1 9 MET HB2 1 10 PRO QD 4.000 . 4.750 3.610 3.392 3.944 . 0 0 "[ . 1 . 2]" 1
182 1 10 PRO HA 1 11 SER H 4.000 . 4.750 3.537 3.506 3.577 . 0 0 "[ . 1 . 2]" 1
183 1 11 SER HA 1 12 VAL H 5.000 . 6.000 3.513 3.474 3.546 . 0 0 "[ . 1 . 2]" 1
184 1 12 VAL H 1 13 ARG H 3.000 . 3.500 2.570 2.501 2.612 . 0 0 "[ . 1 . 2]" 1
185 1 12 VAL HA 1 13 ARG H 3.000 . 3.500 3.539 3.520 3.551 0.051 14 0 "[ . 1 . 2]" 1
186 1 12 VAL HB 1 13 ARG H 4.000 . 4.750 2.515 2.413 2.685 . 0 0 "[ . 1 . 2]" 1
187 1 12 VAL MG1 1 13 ARG H 5.000 . 6.000 3.467 3.342 3.562 . 0 0 "[ . 1 . 2]" 1
188 1 12 VAL MG2 1 13 ARG H 5.000 . 6.000 3.747 3.702 3.823 . 0 0 "[ . 1 . 2]" 1
189 1 13 ARG H 1 14 LYS H 3.000 . 3.500 2.685 2.554 2.772 . 0 0 "[ . 1 . 2]" 1
190 1 13 ARG HA 1 14 LYS H 4.000 . 4.750 3.532 3.520 3.539 . 0 0 "[ . 1 . 2]" 1
191 1 13 ARG QG 1 14 LYS H 4.000 . 4.750 4.260 4.239 4.275 . 0 0 "[ . 1 . 2]" 1
192 1 14 LYS H 1 15 TRP H 3.000 . 3.500 2.604 2.488 2.693 . 0 0 "[ . 1 . 2]" 1
193 1 14 LYS HA 1 15 TRP H 4.000 . 4.750 3.529 3.508 3.547 . 0 0 "[ . 1 . 2]" 1
194 1 14 LYS QB 1 15 TRP H 3.000 . 3.500 2.691 2.567 2.754 . 0 0 "[ . 1 . 2]" 1
195 1 14 LYS QG 1 15 TRP H 3.000 . 3.500 3.154 3.132 3.198 . 0 0 "[ . 1 . 2]" 1
196 1 15 TRP H 1 16 ALA H 3.000 . 3.500 2.746 2.685 2.801 . 0 0 "[ . 1 . 2]" 1
197 1 15 TRP HA 1 16 ALA H 3.000 . 3.500 3.547 3.538 3.557 0.057 17 0 "[ . 1 . 2]" 1
198 1 15 TRP HB3 1 16 ALA H 3.000 . 3.500 2.494 2.431 2.569 . 0 0 "[ . 1 . 2]" 1
199 1 15 TRP HB2 1 16 ALA H 4.000 . 4.750 3.881 3.840 3.928 . 0 0 "[ . 1 . 2]" 1
200 1 15 TRP HD1 1 16 ALA H 5.000 . 6.000 3.512 3.398 3.653 . 0 0 "[ . 1 . 2]" 1
201 1 15 TRP HD1 1 16 ALA HA 4.000 . 4.750 3.854 3.679 3.934 . 0 0 "[ . 1 . 2]" 1
202 1 15 TRP HD1 1 16 ALA MB 5.000 . 6.000 3.729 3.623 3.856 . 0 0 "[ . 1 . 2]" 1
203 1 16 ALA H 1 17 ARG H 3.000 . 3.500 2.705 2.615 2.773 . 0 0 "[ . 1 . 2]" 1
204 1 16 ALA HA 1 17 ARG H 4.000 . 4.750 3.551 3.525 3.567 . 0 0 "[ . 1 . 2]" 1
205 1 16 ALA MB 1 17 ARG H 4.000 . 4.750 2.423 2.289 2.657 . 0 0 "[ . 1 . 2]" 1
206 1 17 ARG H 1 18 GLU H 3.000 . 3.500 2.696 2.597 2.784 . 0 0 "[ . 1 . 2]" 1
207 1 17 ARG HA 1 18 GLU H 4.000 . 4.750 3.498 3.487 3.523 . 0 0 "[ . 1 . 2]" 1
208 1 17 ARG QB 1 18 GLU H 3.000 . 3.500 2.786 2.679 2.841 . 0 0 "[ . 1 . 2]" 1
209 1 17 ARG QG 1 18 GLU H 4.000 . 4.750 4.125 3.870 4.250 . 0 0 "[ . 1 . 2]" 1
210 1 17 ARG QD 1 18 GLU H 5.000 . 6.000 5.003 3.735 5.361 . 0 0 "[ . 1 . 2]" 1
211 1 18 GLU H 1 19 LYS H 3.000 . 3.500 2.456 2.370 2.697 . 0 0 "[ . 1 . 2]" 1
212 1 18 GLU H 1 19 LYS QB 5.000 . 6.000 4.402 4.146 4.945 . 0 0 "[ . 1 . 2]" 1
213 1 18 GLU HA 1 19 LYS H 4.000 . 4.750 3.505 3.469 3.563 . 0 0 "[ . 1 . 2]" 1
214 1 18 GLU QB 1 19 LYS H 4.000 . 4.750 2.942 2.558 3.548 . 0 0 "[ . 1 . 2]" 1
215 1 19 LYS H 1 20 GLY H 3.000 . 3.500 2.395 2.305 2.541 . 0 0 "[ . 1 . 2]" 1
216 1 19 LYS HA 1 20 GLY H 4.000 . 4.750 3.340 3.306 3.462 . 0 0 "[ . 1 . 2]" 1
217 1 19 LYS QB 1 20 GLY H 5.000 . 6.000 3.301 2.948 3.384 . 0 0 "[ . 1 . 2]" 1
218 1 20 GLY H 1 21 VAL H 3.000 . 3.500 2.412 2.125 2.521 . 0 0 "[ . 1 . 2]" 1
219 1 20 GLY QA 1 21 VAL H 3.000 . 3.500 2.906 2.884 2.919 . 0 0 "[ . 1 . 2]" 1
220 1 21 VAL H 1 22 ASP H 4.000 . 4.750 4.562 4.517 4.597 . 0 0 "[ . 1 . 2]" 1
221 1 21 VAL HA 1 22 ASP H 2.500 . 2.800 2.232 2.227 2.237 . 0 0 "[ . 1 . 2]" 1
222 1 21 VAL HB 1 22 ASP H 4.000 . 4.750 3.824 3.799 3.869 . 0 0 "[ . 1 . 2]" 1
223 1 21 VAL MG1 1 22 ASP H 4.000 . 4.750 2.107 2.033 2.158 . 0 0 "[ . 1 . 2]" 1
224 1 22 ASP HA 1 23 ILE H 2.500 . 2.800 2.169 2.152 2.195 . 0 0 "[ . 1 . 2]" 1
225 1 22 ASP HA 1 23 ILE HB 5.000 . 6.000 4.316 4.259 4.336 . 0 0 "[ . 1 . 2]" 1
226 1 22 ASP HB3 1 23 ILE H 5.000 . 6.000 4.127 3.934 4.303 . 0 0 "[ . 1 . 2]" 1
227 1 22 ASP HB2 1 23 ILE H 4.000 . 4.750 4.349 4.228 4.429 . 0 0 "[ . 1 . 2]" 1
228 1 23 ILE H 1 24 ARG H 3.000 . 3.500 2.755 2.646 2.912 . 0 0 "[ . 1 . 2]" 1
229 1 23 ILE HA 1 24 ARG H 4.000 . 4.750 3.476 3.461 3.510 . 0 0 "[ . 1 . 2]" 1
230 1 23 ILE HB 1 24 ARG H 4.000 . 4.750 3.770 3.606 3.901 . 0 0 "[ . 1 . 2]" 1
231 1 23 ILE MG 1 24 ARG H 4.000 . 4.750 2.288 2.015 2.464 . 0 0 "[ . 1 . 2]" 1
232 1 24 ARG H 1 25 LEU H 3.000 . 3.500 2.754 2.708 2.834 . 0 0 "[ . 1 . 2]" 1
233 1 24 ARG H 1 25 LEU HG 4.000 . 4.750 3.792 3.725 3.907 . 0 0 "[ . 1 . 2]" 1
234 1 24 ARG H 1 25 LEU MD1 5.000 . 6.000 4.516 4.155 4.798 . 0 0 "[ . 1 . 2]" 1
235 1 24 ARG H 1 25 LEU MD2 5.000 . 6.000 4.919 4.771 5.016 . 0 0 "[ . 1 . 2]" 1
236 1 24 ARG HA 1 25 LEU H 4.000 . 4.750 3.456 3.429 3.487 . 0 0 "[ . 1 . 2]" 1
237 1 24 ARG QB 1 25 LEU H 4.000 . 4.750 3.060 2.933 3.511 . 0 0 "[ . 1 . 2]" 1
238 1 25 LEU H 1 26 VAL H 3.000 . 3.500 2.587 2.108 2.699 . 0 0 "[ . 1 . 2]" 1
239 1 25 LEU H 1 26 VAL MG2 5.000 . 6.000 3.069 2.973 3.206 . 0 0 "[ . 1 . 2]" 1
240 1 25 LEU HA 1 26 VAL H 5.000 . 6.000 2.995 2.946 3.325 . 0 0 "[ . 1 . 2]" 1
241 1 25 LEU MD1 1 26 VAL MG2 5.000 . 6.000 1.879 1.833 1.950 . 0 0 "[ . 1 . 2]" 1
242 1 25 LEU MD2 1 26 VAL MG2 5.000 . 6.000 4.176 4.165 4.186 . 0 0 "[ . 1 . 2]" 1
243 1 25 LEU QB 1 26 VAL H 5.000 . 6.000 3.971 3.742 3.995 . 0 0 "[ . 1 . 2]" 1
244 1 26 VAL HA 1 27 GLN H 3.000 . 3.500 2.142 2.130 2.156 . 0 0 "[ . 1 . 2]" 1
245 1 26 VAL HA 1 27 GLN QB 5.000 . 6.000 4.195 4.021 4.482 . 0 0 "[ . 1 . 2]" 1
246 1 26 VAL HB 1 27 GLN H 5.000 . 6.000 4.302 4.233 4.345 . 0 0 "[ . 1 . 2]" 1
247 1 26 VAL MG1 1 27 GLN H 4.000 . 4.750 2.965 2.790 3.068 . 0 0 "[ . 1 . 2]" 1
248 1 26 VAL MG1 1 27 GLN HA 5.000 . 6.000 4.270 4.197 4.366 . 0 0 "[ . 1 . 2]" 1
249 1 26 VAL MG2 1 27 GLN H 5.000 . 6.000 4.216 4.171 4.254 . 0 0 "[ . 1 . 2]" 1
250 1 27 GLN H 1 28 GLY H 5.000 . 6.000 3.912 3.820 4.032 . 0 0 "[ . 1 . 2]" 1
251 1 27 GLN HA 1 28 GLY H 2.500 . 2.800 2.363 2.311 2.408 . 0 0 "[ . 1 . 2]" 1
252 1 27 GLN HA 1 28 GLY QA 4.000 . 4.750 4.044 4.015 4.067 . 0 0 "[ . 1 . 2]" 1
253 1 27 GLN QB 1 28 GLY H 4.000 . 4.750 3.985 3.843 4.050 . 0 0 "[ . 1 . 2]" 1
254 1 27 GLN QG 1 28 GLY H 4.000 . 4.750 3.974 3.649 4.253 . 0 0 "[ . 1 . 2]" 1
255 1 28 GLY H 1 29 THR H 5.000 . 6.000 4.630 4.563 4.650 . 0 0 "[ . 1 . 2]" 1
256 1 28 GLY QA 1 29 THR H 4.000 . 4.750 2.171 2.113 2.231 . 0 0 "[ . 1 . 2]" 1
257 1 29 THR H 1 30 GLY H 4.000 . 4.750 2.417 1.969 2.509 . 0 0 "[ . 1 . 2]" 1
258 1 29 THR HA 1 30 GLY H 4.000 . 4.750 3.046 2.980 3.458 . 0 0 "[ . 1 . 2]" 1
259 1 29 THR HB 1 30 GLY H 4.000 . 4.750 4.314 4.001 4.526 . 0 0 "[ . 1 . 2]" 1
260 1 29 THR MG 1 30 GLY H 5.000 . 6.000 4.351 4.074 4.471 . 0 0 "[ . 1 . 2]" 1
261 1 30 GLY H 1 31 LYS H 4.000 . 4.750 4.292 4.113 4.626 . 0 0 "[ . 1 . 2]" 1
262 1 30 GLY QA 1 31 LYS H 4.000 . 4.750 2.175 2.107 2.260 . 0 0 "[ . 1 . 2]" 1
263 1 31 LYS HA 1 32 ASN H 5.000 . 6.000 3.534 3.447 3.558 . 0 0 "[ . 1 . 2]" 1
264 1 31 LYS QB 1 32 ASN QD 5.000 . 6.000 3.249 2.019 4.764 . 0 0 "[ . 1 . 2]" 1
265 1 32 ASN HA 1 33 GLY H 4.000 . 4.750 3.207 2.933 3.336 . 0 0 "[ . 1 . 2]" 1
266 1 32 ASN QB 1 33 GLY H 5.000 . 6.000 3.712 3.295 4.035 . 0 0 "[ . 1 . 2]" 1
267 1 33 GLY H 1 34 ARG H 3.000 . 3.500 2.058 2.014 2.297 . 0 0 "[ . 1 . 2]" 1
268 1 33 GLY QA 1 34 ARG H 4.000 . 4.750 2.837 2.826 2.873 . 0 0 "[ . 1 . 2]" 1
269 1 34 ARG HA 1 35 VAL H 3.000 . 3.500 2.170 2.145 2.321 . 0 0 "[ . 1 . 2]" 1
270 1 34 ARG HA 1 35 VAL MG2 5.000 . 6.000 3.475 3.350 3.575 . 0 0 "[ . 1 . 2]" 1
271 1 34 ARG QB 1 35 VAL H 4.000 . 4.750 3.387 2.628 3.828 . 0 0 "[ . 1 . 2]" 1
272 1 34 ARG QG 1 35 VAL H 4.000 . 4.750 3.490 2.834 4.241 . 0 0 "[ . 1 . 2]" 1
273 1 35 VAL HA 1 36 LEU H 3.000 . 3.500 2.147 2.137 2.182 . 0 0 "[ . 1 . 2]" 1
274 1 35 VAL MG1 1 36 LEU H 5.000 . 6.000 2.855 2.514 3.238 . 0 0 "[ . 1 . 2]" 1
275 1 35 VAL MG2 1 36 LEU H 5.000 . 6.000 4.185 4.070 4.273 . 0 0 "[ . 1 . 2]" 1
276 1 36 LEU HA 1 37 LYS H 3.000 . 3.500 2.511 2.472 2.565 . 0 0 "[ . 1 . 2]" 1
277 1 36 LEU HG 1 37 LYS H 5.000 . 6.000 4.842 4.776 4.892 . 0 0 "[ . 1 . 2]" 1
278 1 36 LEU QD 1 37 LYS H 5.000 . 6.000 3.668 3.593 3.764 . 0 0 "[ . 1 . 2]" 1
279 1 37 LYS H 1 38 GLU H 4.000 . 4.750 2.749 2.709 2.785 . 0 0 "[ . 1 . 2]" 1
280 1 37 LYS HA 1 38 GLU H 5.000 . 6.000 3.489 3.475 3.506 . 0 0 "[ . 1 . 2]" 1
281 1 37 LYS HB3 1 38 GLU H 4.000 . 4.750 2.891 2.759 2.993 . 0 0 "[ . 1 . 2]" 1
282 1 37 LYS HB2 1 38 GLU H 4.000 . 4.750 3.820 3.535 4.035 . 0 0 "[ . 1 . 2]" 1
283 1 37 LYS QG 1 38 GLU H 5.000 . 6.000 4.110 3.734 4.503 . 0 0 "[ . 1 . 2]" 1
284 1 38 GLU H 1 39 ASP H 4.000 . 4.750 2.534 2.498 2.569 . 0 0 "[ . 1 . 2]" 1
285 1 38 GLU HA 1 39 ASP H 5.000 . 6.000 3.523 3.498 3.536 . 0 0 "[ . 1 . 2]" 1
286 1 38 GLU QB 1 39 ASP H 4.000 . 4.750 2.631 2.549 2.766 . 0 0 "[ . 1 . 2]" 1
287 1 38 GLU QG 1 39 ASP H 4.000 . 4.750 3.972 3.642 4.233 . 0 0 "[ . 1 . 2]" 1
288 1 39 ASP H 1 40 ILE MD 5.000 . 6.000 4.986 4.890 5.002 . 0 0 "[ . 1 . 2]" 1
289 1 39 ASP HA 1 40 ILE H 4.000 . 4.750 3.556 3.549 3.563 . 0 0 "[ . 1 . 2]" 1
290 1 39 ASP HB3 1 40 ILE H 4.000 . 4.750 3.360 3.270 3.456 . 0 0 "[ . 1 . 2]" 1
291 1 39 ASP HB2 1 40 ILE H 4.000 . 4.750 2.547 2.412 2.617 . 0 0 "[ . 1 . 2]" 1
292 1 40 ILE H 1 41 ASP H 3.000 . 3.500 2.759 2.701 2.810 . 0 0 "[ . 1 . 2]" 1
293 1 40 ILE HA 1 41 ASP H 4.000 . 4.750 3.561 3.549 3.566 . 0 0 "[ . 1 . 2]" 1
294 1 40 ILE HB 1 41 ASP H 3.000 . 3.500 2.383 2.316 2.506 . 0 0 "[ . 1 . 2]" 1
295 1 40 ILE MG 1 41 ASP H 4.000 . 4.750 3.407 3.347 3.508 . 0 0 "[ . 1 . 2]" 1
296 1 40 ILE MG 1 41 ASP HA 5.000 . 6.000 3.565 3.511 3.615 . 0 0 "[ . 1 . 2]" 1
297 1 40 ILE QG 1 41 ASP H 4.000 . 4.750 3.792 3.755 3.867 . 0 0 "[ . 1 . 2]" 1
298 1 41 ASP H 1 42 ALA H 3.000 . 3.500 2.693 2.661 2.725 . 0 0 "[ . 1 . 2]" 1
299 1 41 ASP H 1 42 ALA HA 5.000 . 6.000 5.311 5.285 5.337 . 0 0 "[ . 1 . 2]" 1
300 1 41 ASP HA 1 42 ALA H 4.000 . 4.750 3.504 3.487 3.529 . 0 0 "[ . 1 . 2]" 1
301 1 41 ASP QB 1 42 ALA H 4.000 . 4.750 2.754 2.597 2.885 . 0 0 "[ . 1 . 2]" 1
302 1 41 ASP QB 1 42 ALA MB 5.000 . 6.000 3.814 3.673 3.903 . 0 0 "[ . 1 . 2]" 1
303 1 42 ALA H 1 43 PHE H 3.000 . 3.500 2.421 2.363 2.503 . 0 0 "[ . 1 . 2]" 1
304 1 42 ALA H 1 43 PHE QB 5.000 . 6.000 4.161 4.114 4.233 . 0 0 "[ . 1 . 2]" 1
305 1 42 ALA HA 1 43 PHE H 3.000 . 3.500 3.498 3.483 3.517 0.017 14 0 "[ . 1 . 2]" 1
306 1 42 ALA MB 1 43 PHE H 4.000 . 4.750 2.720 2.524 2.815 . 0 0 "[ . 1 . 2]" 1
307 1 43 PHE H 1 44 LEU H 3.000 . 3.500 2.671 2.582 2.795 . 0 0 "[ . 1 . 2]" 1
308 1 43 PHE H 1 44 LEU QD 5.000 . 6.000 3.626 3.379 4.104 . 0 0 "[ . 1 . 2]" 1
309 1 43 PHE HA 1 44 LEU H 4.000 . 4.750 3.529 3.456 3.563 . 0 0 "[ . 1 . 2]" 1
310 1 43 PHE QB 1 44 LEU H 4.000 . 4.750 2.585 2.373 2.920 . 0 0 "[ . 1 . 2]" 1
311 1 43 PHE QD 1 44 LEU H 5.000 . 6.000 3.143 2.713 3.557 . 0 0 "[ . 1 . 2]" 1
312 1 43 PHE QD 1 44 LEU HA 5.000 . 6.000 2.889 2.732 3.083 . 0 0 "[ . 1 . 2]" 1
313 1 43 PHE QD 1 44 LEU HG 4.000 . 4.750 3.701 2.046 4.256 . 0 0 "[ . 1 . 2]" 1
314 1 43 PHE QD 1 44 LEU QD 5.000 . 6.000 1.951 1.711 2.642 0.089 17 0 "[ . 1 . 2]" 1
315 1 43 PHE QE 1 44 LEU HA 5.000 . 6.000 4.243 3.911 4.499 . 0 0 "[ . 1 . 2]" 1
316 1 43 PHE QE 1 44 LEU QD 4.000 . 4.750 2.876 2.631 3.152 . 0 0 "[ . 1 . 2]" 1
317 1 44 LEU H 1 45 ALA H 3.000 . 3.500 2.412 2.268 2.549 . 0 0 "[ . 1 . 2]" 1
318 1 44 LEU H 1 45 ALA MB 5.000 . 6.000 4.167 4.045 4.303 . 0 0 "[ . 1 . 2]" 1
319 1 44 LEU HA 1 45 ALA H 3.000 . 3.500 3.505 3.466 3.540 0.040 9 0 "[ . 1 . 2]" 1
320 1 44 LEU QB 1 45 ALA H 3.000 . 3.500 2.702 2.483 2.897 . 0 0 "[ . 1 . 2]" 1
321 1 44 LEU QD 1 45 ALA H 5.000 . 6.000 3.690 3.538 3.848 . 0 0 "[ . 1 . 2]" 1
322 1 45 ALA H 1 46 GLY H 3.000 . 3.500 2.800 2.558 2.938 . 0 0 "[ . 1 . 2]" 1
323 1 45 ALA HA 1 46 GLY H 4.000 . 4.750 3.090 2.921 3.468 . 0 0 "[ . 1 . 2]" 1
324 1 45 ALA MB 1 46 GLY H 4.000 . 4.750 3.411 2.877 3.640 . 0 0 "[ . 1 . 2]" 1
325 1 46 GLY H 1 47 GLY H 2.500 . 2.800 2.331 2.007 2.745 . 0 0 "[ . 1 . 2]" 1
326 1 46 GLY QA 1 47 GLY H 4.000 . 4.750 2.775 2.458 2.828 . 0 0 "[ . 1 . 2]" 1
327 1 6 VAL MG1 1 8 ALA H 5.000 . 6.000 4.292 4.081 4.613 . 0 0 "[ . 1 . 2]" 1
328 1 6 VAL MG1 1 8 ALA MB 5.000 . 6.000 2.957 2.623 3.374 . 0 0 "[ . 1 . 2]" 1
329 1 12 VAL H 1 14 LYS H 5.000 . 6.000 4.037 3.934 4.155 . 0 0 "[ . 1 . 2]" 1
330 1 12 VAL HA 1 14 LYS H 4.000 . 4.750 4.485 4.358 4.593 . 0 0 "[ . 1 . 2]" 1
331 1 14 LYS HA 1 16 ALA H 4.000 . 4.750 4.583 4.492 4.667 . 0 0 "[ . 1 . 2]" 1
332 1 15 TRP HA 1 17 ARG H 4.000 . 4.750 4.614 4.392 4.766 0.016 1 0 "[ . 1 . 2]" 1
333 1 16 ALA H 1 18 GLU H 4.000 . 4.750 3.967 3.877 4.112 . 0 0 "[ . 1 . 2]" 1
334 1 16 ALA HA 1 18 GLU H 5.000 . 6.000 4.074 4.011 4.191 . 0 0 "[ . 1 . 2]" 1
335 1 16 ALA MB 1 18 GLU H 5.000 . 6.000 4.304 4.217 4.407 . 0 0 "[ . 1 . 2]" 1
336 1 18 GLU H 1 20 GLY H 4.000 . 4.750 3.740 3.657 3.818 . 0 0 "[ . 1 . 2]" 1
337 1 18 GLU HA 1 20 GLY H 4.000 . 4.750 3.946 3.869 4.281 . 0 0 "[ . 1 . 2]" 1
338 1 19 LYS H 1 21 VAL H 4.000 . 4.750 3.480 3.335 3.708 . 0 0 "[ . 1 . 2]" 1
339 1 19 LYS HA 1 21 VAL H 4.000 . 4.750 4.525 4.391 4.753 0.003 14 0 "[ . 1 . 2]" 1
340 1 19 LYS QB 1 21 VAL H 4.000 . 4.750 2.868 2.634 3.201 . 0 0 "[ . 1 . 2]" 1
341 1 21 VAL MG1 1 23 ILE H 5.000 . 6.000 4.305 3.942 4.519 . 0 0 "[ . 1 . 2]" 1
342 1 21 VAL MG1 1 23 ILE HA 5.000 . 6.000 3.834 3.612 3.984 . 0 0 "[ . 1 . 2]" 1
343 1 22 ASP HA 1 24 ARG H 4.000 . 4.750 3.772 3.632 4.003 . 0 0 "[ . 1 . 2]" 1
344 1 23 ILE H 1 25 LEU H 4.000 . 4.750 4.343 4.239 4.472 . 0 0 "[ . 1 . 2]" 1
345 1 23 ILE HA 1 25 LEU H 4.000 . 4.750 3.667 3.567 3.805 . 0 0 "[ . 1 . 2]" 1
346 1 23 ILE MG 1 25 LEU H 5.000 . 6.000 4.260 4.144 4.354 . 0 0 "[ . 1 . 2]" 1
347 1 24 ARG HA 1 26 VAL H 5.000 . 6.000 3.836 3.763 4.158 . 0 0 "[ . 1 . 2]" 1
348 1 26 VAL MG1 1 28 GLY H 5.000 . 6.000 3.279 3.075 3.659 . 0 0 "[ . 1 . 2]" 1
349 1 26 VAL MG1 1 28 GLY QA 5.000 . 6.000 3.053 2.976 3.186 . 0 0 "[ . 1 . 2]" 1
350 1 27 GLN QG 1 29 THR MG 5.000 . 6.000 3.755 3.182 4.452 . 0 0 "[ . 1 . 2]" 1
351 1 28 GLY QA 1 30 GLY H 4.000 . 4.750 3.205 3.141 3.512 . 0 0 "[ . 1 . 2]" 1
352 1 34 ARG QD 1 36 LEU QD 4.000 . 4.750 2.522 1.786 3.142 0.014 18 0 "[ . 1 . 2]" 1
353 1 36 LEU H 1 38 GLU H 5.000 . 6.000 4.425 4.299 4.505 . 0 0 "[ . 1 . 2]" 1
354 1 36 LEU HA 1 38 GLU H 5.000 . 6.000 4.244 4.180 4.371 . 0 0 "[ . 1 . 2]" 1
355 1 36 LEU HB3 1 38 GLU H 4.000 . 4.750 3.326 3.254 3.410 . 0 0 "[ . 1 . 2]" 1
356 1 36 LEU HB2 1 38 GLU H 4.000 . 4.750 2.470 2.351 2.562 . 0 0 "[ . 1 . 2]" 1
357 1 36 LEU HG 1 38 GLU H 5.000 . 6.000 5.007 4.769 5.165 . 0 0 "[ . 1 . 2]" 1
358 1 36 LEU QD 1 38 GLU H 5.000 . 6.000 3.749 3.707 3.784 . 0 0 "[ . 1 . 2]" 1
359 1 36 LEU QD 1 38 GLU QB 4.000 . 4.750 3.142 3.140 3.145 . 0 0 "[ . 1 . 2]" 1
360 1 37 LYS HA 1 39 ASP H 5.000 . 6.000 4.320 4.172 4.414 . 0 0 "[ . 1 . 2]" 1
361 1 38 GLU H 1 40 ILE H 5.000 . 6.000 4.220 4.121 4.335 . 0 0 "[ . 1 . 2]" 1
362 1 38 GLU HA 1 40 ILE H 5.000 . 6.000 4.606 4.512 4.721 . 0 0 "[ . 1 . 2]" 1
363 1 39 ASP H 1 41 ASP H 4.000 . 4.750 4.219 4.066 4.318 . 0 0 "[ . 1 . 2]" 1
364 1 39 ASP HA 1 41 ASP H 4.000 . 4.750 4.705 4.557 4.763 0.013 2 0 "[ . 1 . 2]" 1
365 1 40 ILE H 1 42 ALA H 5.000 . 6.000 3.961 3.877 4.107 . 0 0 "[ . 1 . 2]" 1
366 1 40 ILE HA 1 42 ALA H 5.000 . 6.000 4.152 4.046 4.347 . 0 0 "[ . 1 . 2]" 1
367 1 40 ILE MG 1 42 ALA H 5.000 . 6.000 4.866 4.793 5.007 . 0 0 "[ . 1 . 2]" 1
368 1 41 ASP H 1 43 PHE H 4.000 . 4.750 4.035 3.944 4.144 . 0 0 "[ . 1 . 2]" 1
369 1 41 ASP HA 1 43 PHE H 5.000 . 6.000 4.300 4.211 4.524 . 0 0 "[ . 1 . 2]" 1
370 1 41 ASP QB 1 43 PHE H 5.000 . 6.000 4.649 4.565 4.810 . 0 0 "[ . 1 . 2]" 1
371 1 42 ALA H 1 44 LEU H 4.000 . 4.750 4.099 3.722 4.386 . 0 0 "[ . 1 . 2]" 1
372 1 42 ALA H 1 44 LEU QD 5.000 . 6.000 4.465 4.454 4.483 . 0 0 "[ . 1 . 2]" 1
373 1 42 ALA HA 1 44 LEU H 4.000 . 4.750 4.266 3.838 4.581 . 0 0 "[ . 1 . 2]" 1
374 1 43 PHE H 1 45 ALA H 4.000 . 4.750 3.948 3.787 4.289 . 0 0 "[ . 1 . 2]" 1
375 1 44 LEU H 1 46 GLY H 4.000 . 4.750 4.110 3.671 4.383 . 0 0 "[ . 1 . 2]" 1
376 1 9 MET H 1 12 VAL HB 5.000 . 6.000 2.975 2.448 3.434 . 0 0 "[ . 1 . 2]" 1
377 1 9 MET H 1 12 VAL MG1 5.000 . 6.000 3.920 3.269 4.446 . 0 0 "[ . 1 . 2]" 1
378 1 9 MET H 1 12 VAL MG2 5.000 . 6.000 2.482 2.206 2.892 . 0 0 "[ . 1 . 2]" 1
379 1 9 MET HB3 1 12 VAL MG2 5.000 . 6.000 3.558 2.673 4.292 . 0 0 "[ . 1 . 2]" 1
380 1 9 MET HB2 1 12 VAL H 5.000 . 6.000 2.999 2.487 3.602 . 0 0 "[ . 1 . 2]" 1
381 1 9 MET HB2 1 12 VAL MG2 4.000 . 4.750 2.328 1.821 2.876 . 0 0 "[ . 1 . 2]" 1
382 1 9 MET QG 1 12 VAL MG2 5.000 . 6.000 3.395 2.061 4.380 . 0 0 "[ . 1 . 2]" 1
383 1 10 PRO HA 1 13 ARG H 3.000 . 3.500 3.510 3.484 3.529 0.029 10 0 "[ . 1 . 2]" 1
384 1 10 PRO HA 1 13 ARG QB 3.000 . 3.500 2.623 2.351 2.928 . 0 0 "[ . 1 . 2]" 1
385 1 10 PRO HA 1 13 ARG QD 5.000 . 6.000 5.288 4.989 5.367 . 0 0 "[ . 1 . 2]" 1
386 1 11 SER HA 1 14 LYS H 4.000 . 4.750 3.671 3.307 3.881 . 0 0 "[ . 1 . 2]" 1
387 1 11 SER HA 1 14 LYS QB 3.000 . 3.500 2.861 2.608 3.170 . 0 0 "[ . 1 . 2]" 1
388 1 12 VAL HA 1 15 TRP H 3.000 . 3.500 3.325 3.258 3.382 . 0 0 "[ . 1 . 2]" 1
389 1 12 VAL HA 1 15 TRP HB3 3.000 . 3.500 2.291 2.225 2.388 . 0 0 "[ . 1 . 2]" 1
390 1 12 VAL HA 1 15 TRP HB2 3.000 . 3.500 3.314 3.226 3.394 . 0 0 "[ . 1 . 2]" 1
391 1 12 VAL MG1 1 15 TRP H 5.000 . 6.000 4.556 4.446 4.647 . 0 0 "[ . 1 . 2]" 1
392 1 12 VAL MG1 1 15 TRP HB3 5.000 . 6.000 3.484 3.344 3.591 . 0 0 "[ . 1 . 2]" 1
393 1 12 VAL MG2 1 15 TRP H 5.000 . 6.000 5.032 5.025 5.040 . 0 0 "[ . 1 . 2]" 1
394 1 13 ARG HA 1 16 ALA H 3.000 . 3.500 3.523 3.513 3.538 0.038 16 0 "[ . 1 . 2]" 1
395 1 13 ARG HA 1 16 ALA MB 4.000 . 4.750 2.900 2.804 2.986 . 0 0 "[ . 1 . 2]" 1
396 1 14 LYS HA 1 17 ARG H 3.000 . 3.500 3.488 3.390 3.516 0.016 1 0 "[ . 1 . 2]" 1
397 1 14 LYS HA 1 17 ARG QB 3.000 . 3.500 2.478 2.359 2.672 . 0 0 "[ . 1 . 2]" 1
398 1 15 TRP H 1 18 GLU H 5.000 . 6.000 4.659 4.559 4.777 . 0 0 "[ . 1 . 2]" 1
399 1 15 TRP HA 1 18 GLU H 3.000 . 3.500 3.511 3.427 3.531 0.031 8 0 "[ . 1 . 2]" 1
400 1 15 TRP HA 1 18 GLU QB 3.000 . 3.500 2.769 2.494 3.129 . 0 0 "[ . 1 . 2]" 1
401 1 15 TRP HE3 1 18 GLU QB 4.000 . 4.750 3.861 3.651 4.250 . 0 0 "[ . 1 . 2]" 1
402 1 16 ALA HA 1 19 LYS H 4.000 . 4.750 3.267 3.171 3.402 . 0 0 "[ . 1 . 2]" 1
403 1 16 ALA HA 1 19 LYS QB 4.000 . 4.750 2.894 2.609 3.135 . 0 0 "[ . 1 . 2]" 1
404 1 22 ASP H 1 25 LEU MD1 5.000 . 6.000 1.984 1.921 2.448 . 0 0 "[ . 1 . 2]" 1
405 1 22 ASP HA 1 25 LEU MD1 5.000 . 6.000 4.031 3.971 4.248 . 0 0 "[ . 1 . 2]" 1
406 1 22 ASP HB3 1 25 LEU H 5.000 . 6.000 3.210 3.049 3.585 . 0 0 "[ . 1 . 2]" 1
407 1 22 ASP HB3 1 25 LEU HG 4.000 . 4.750 2.097 1.977 2.381 . 0 0 "[ . 1 . 2]" 1
408 1 22 ASP HB3 1 25 LEU MD1 4.000 . 4.750 3.097 3.010 3.303 . 0 0 "[ . 1 . 2]" 1
409 1 22 ASP HB2 1 25 LEU HG 5.000 . 6.000 3.768 3.596 4.109 . 0 0 "[ . 1 . 2]" 1
410 1 22 ASP HB2 1 25 LEU MD1 5.000 . 6.000 4.022 3.910 4.368 . 0 0 "[ . 1 . 2]" 1
411 1 23 ILE H 1 26 VAL MG2 5.000 . 6.000 4.174 3.969 4.286 . 0 0 "[ . 1 . 2]" 1
412 1 23 ILE HA 1 26 VAL H 5.000 . 6.000 3.680 2.963 3.864 . 0 0 "[ . 1 . 2]" 1
413 1 23 ILE HA 1 26 VAL HB 4.000 . 4.750 2.752 2.489 2.956 . 0 0 "[ . 1 . 2]" 1
414 1 23 ILE HA 1 26 VAL MG2 5.000 . 6.000 2.309 2.015 2.508 . 0 0 "[ . 1 . 2]" 1
415 1 23 ILE HB 1 26 VAL MG2 5.000 . 6.000 4.533 4.375 4.672 . 0 0 "[ . 1 . 2]" 1
416 1 23 ILE QG 1 26 VAL MG2 5.000 . 6.000 3.722 3.280 3.996 . 0 0 "[ . 1 . 2]" 1
417 1 36 LEU H 1 39 ASP H 5.000 . 6.000 3.030 2.929 3.176 . 0 0 "[ . 1 . 2]" 1
418 1 36 LEU H 1 39 ASP HB3 5.000 . 6.000 3.543 3.393 3.892 . 0 0 "[ . 1 . 2]" 1
419 1 36 LEU H 1 39 ASP HB2 4.000 . 4.750 2.118 1.986 2.473 . 0 0 "[ . 1 . 2]" 1
420 1 36 LEU HB3 1 39 ASP H 4.000 . 4.750 4.396 4.314 4.516 . 0 0 "[ . 1 . 2]" 1
421 1 36 LEU HB2 1 39 ASP H 3.000 . 3.500 2.888 2.791 3.002 . 0 0 "[ . 1 . 2]" 1
422 1 37 LYS HA 1 40 ILE H 4.000 . 4.750 3.567 3.477 3.669 . 0 0 "[ . 1 . 2]" 1
423 1 37 LYS HA 1 40 ILE HB 5.000 . 6.000 3.122 3.010 3.204 . 0 0 "[ . 1 . 2]" 1
424 1 38 GLU HA 1 41 ASP H 4.000 . 4.750 3.646 3.561 3.757 . 0 0 "[ . 1 . 2]" 1
425 1 38 GLU HA 1 41 ASP QB 3.000 . 3.500 2.689 2.569 2.901 . 0 0 "[ . 1 . 2]" 1
426 1 39 ASP HA 1 42 ALA H 3.000 . 3.500 3.514 3.504 3.527 0.027 2 0 "[ . 1 . 2]" 1
427 1 39 ASP HA 1 42 ALA MB 4.000 . 4.750 2.573 2.439 2.831 . 0 0 "[ . 1 . 2]" 1
428 1 40 ILE HA 1 43 PHE H 4.000 . 4.750 3.183 3.108 3.287 . 0 0 "[ . 1 . 2]" 1
429 1 40 ILE HA 1 43 PHE QB 3.000 . 3.500 2.378 2.313 2.455 . 0 0 "[ . 1 . 2]" 1
430 1 40 ILE MG 1 43 PHE H 5.000 . 6.000 4.368 4.262 4.472 . 0 0 "[ . 1 . 2]" 1
431 1 41 ASP H 1 44 LEU QD 5.000 . 6.000 3.988 3.668 4.124 . 0 0 "[ . 1 . 2]" 1
432 1 41 ASP HA 1 44 LEU H 4.000 . 4.750 3.622 3.538 3.780 . 0 0 "[ . 1 . 2]" 1
433 1 41 ASP HA 1 44 LEU HG 5.000 . 6.000 4.653 4.024 5.275 . 0 0 "[ . 1 . 2]" 1
434 1 41 ASP HA 1 44 LEU QB 4.000 . 4.750 3.188 2.682 3.656 . 0 0 "[ . 1 . 2]" 1
435 1 41 ASP HA 1 44 LEU QD 4.000 . 4.750 2.637 1.959 3.059 . 0 0 "[ . 1 . 2]" 1
436 1 41 ASP QB 1 44 LEU H 5.000 . 6.000 5.085 4.862 5.316 . 0 0 "[ . 1 . 2]" 1
437 1 42 ALA H 1 45 ALA MB 5.000 . 6.000 4.572 4.332 4.999 . 0 0 "[ . 1 . 2]" 1
438 1 42 ALA HA 1 45 ALA H 3.000 . 3.500 3.214 3.114 3.356 . 0 0 "[ . 1 . 2]" 1
439 1 8 ALA HA 1 12 VAL MG2 5.000 . 6.000 4.059 3.754 4.244 . 0 0 "[ . 1 . 2]" 1
440 1 8 ALA MB 1 12 VAL HB 4.000 . 4.750 2.639 2.424 2.731 . 0 0 "[ . 1 . 2]" 1
441 1 8 ALA MB 1 12 VAL MG1 4.000 . 4.750 2.619 2.459 2.957 . 0 0 "[ . 1 . 2]" 1
442 1 8 ALA MB 1 12 VAL MG2 4.000 . 4.750 3.238 3.045 3.301 . 0 0 "[ . 1 . 2]" 1
443 1 11 SER HA 1 15 TRP H 4.000 . 4.750 3.969 3.785 4.214 . 0 0 "[ . 1 . 2]" 1
444 1 13 ARG HA 1 17 ARG H 4.000 . 4.750 3.924 3.814 4.016 . 0 0 "[ . 1 . 2]" 1
445 1 15 TRP HA 1 19 LYS H 4.000 . 4.750 4.385 4.328 4.422 . 0 0 "[ . 1 . 2]" 1
446 1 15 TRP HD1 1 19 LYS QD 5.000 . 6.000 5.261 4.928 5.368 . 0 0 "[ . 1 . 2]" 1
447 1 15 TRP HE1 1 19 LYS QD 5.000 . 6.000 3.976 3.493 4.528 . 0 0 "[ . 1 . 2]" 1
448 1 15 TRP HZ2 1 19 LYS QD 4.000 . 4.750 2.813 2.320 3.532 . 0 0 "[ . 1 . 2]" 1
449 1 15 TRP HZ2 1 19 LYS QE 5.000 . 6.000 3.518 2.086 5.038 . 0 0 "[ . 1 . 2]" 1
450 1 15 TRP HH2 1 19 LYS QE 5.000 . 6.000 2.986 2.161 4.206 . 0 0 "[ . 1 . 2]" 1
451 1 17 ARG HA 1 21 VAL H 4.000 . 4.750 4.132 3.754 4.471 . 0 0 "[ . 1 . 2]" 1
452 1 21 VAL MG1 1 25 LEU H 5.000 . 6.000 4.417 4.338 4.507 . 0 0 "[ . 1 . 2]" 1
453 1 21 VAL MG1 1 25 LEU MD2 4.000 . 4.750 3.305 3.297 3.309 . 0 0 "[ . 1 . 2]" 1
454 1 30 GLY H 1 34 ARG QB 5.000 . 6.000 3.903 3.257 5.044 . 0 0 "[ . 1 . 2]" 1
455 1 35 VAL MG1 1 39 ASP H 5.000 . 6.000 3.922 3.824 3.987 . 0 0 "[ . 1 . 2]" 1
456 1 35 VAL MG1 1 39 ASP HB3 4.000 . 4.750 2.068 1.972 2.237 . 0 0 "[ . 1 . 2]" 1
457 1 35 VAL MG1 1 39 ASP HB2 4.000 . 4.750 2.018 1.883 2.148 . 0 0 "[ . 1 . 2]" 1
458 1 37 LYS HA 1 41 ASP H 5.000 . 6.000 3.971 3.820 4.084 . 0 0 "[ . 1 . 2]" 1
459 1 38 GLU HA 1 42 ALA H 4.000 . 4.750 4.102 3.990 4.170 . 0 0 "[ . 1 . 2]" 1
460 1 39 ASP HA 1 43 PHE H 5.000 . 6.000 4.165 4.010 4.299 . 0 0 "[ . 1 . 2]" 1
461 1 40 ILE HA 1 44 LEU H 5.000 . 6.000 4.282 4.167 4.343 . 0 0 "[ . 1 . 2]" 1
462 1 40 ILE MG 1 44 LEU H 5.000 . 6.000 4.101 3.971 4.258 . 0 0 "[ . 1 . 2]" 1
463 1 41 ASP HA 1 45 ALA H 5.000 . 6.000 4.157 4.029 4.279 . 0 0 "[ . 1 . 2]" 1
464 1 6 VAL MG1 1 24 ARG HA 5.000 . 6.000 2.713 2.065 3.887 . 0 0 "[ . 1 . 2]" 1
465 1 6 VAL MG2 1 24 ARG HA 4.000 . 4.750 1.950 1.827 2.519 . 0 0 "[ . 1 . 2]" 1
466 1 6 VAL MG1 1 35 VAL H 5.000 . 6.000 4.186 3.300 5.003 . 0 0 "[ . 1 . 2]" 1
467 1 7 ILE MG 1 32 ASN QB 5.000 . 6.000 4.044 3.335 4.457 . 0 0 "[ . 1 . 2]" 1
468 1 7 ILE MG 1 32 ASN QD 5.000 . 6.000 3.515 1.911 4.452 . 0 0 "[ . 1 . 2]" 1
469 1 7 ILE HB 1 34 ARG HA 3.000 . 3.500 2.490 2.156 2.860 . 0 0 "[ . 1 . 2]" 1
470 1 7 ILE MG 1 34 ARG HA 3.000 . 3.500 2.814 2.530 2.918 . 0 0 "[ . 1 . 2]" 1
471 1 7 ILE H 1 35 VAL MG2 5.000 . 6.000 3.976 3.647 4.390 . 0 0 "[ . 1 . 2]" 1
472 1 7 ILE HB 1 35 VAL H 4.000 . 4.750 3.999 3.752 4.214 . 0 0 "[ . 1 . 2]" 1
473 1 7 ILE MG 1 35 VAL H 5.000 . 6.000 4.159 3.920 4.306 . 0 0 "[ . 1 . 2]" 1
474 1 8 ALA MB 1 13 ARG H 5.000 . 6.000 3.722 3.536 3.976 . 0 0 "[ . 1 . 2]" 1
475 1 8 ALA MB 1 13 ARG HA 5.000 . 6.000 4.252 4.123 4.343 . 0 0 "[ . 1 . 2]" 1
476 1 8 ALA MB 1 13 ARG QG 3.000 . 3.500 2.607 2.599 2.626 . 0 0 "[ . 1 . 2]" 1
477 1 8 ALA MB 1 13 ARG QD 5.000 . 6.000 3.970 3.552 4.229 . 0 0 "[ . 1 . 2]" 1
478 1 8 ALA MB 1 23 ILE MD 4.000 . 4.750 1.874 1.798 2.313 0.002 8 0 "[ . 1 . 2]" 1
479 1 8 ALA HA 1 35 VAL H 4.000 . 4.750 2.786 2.241 3.328 . 0 0 "[ . 1 . 2]" 1
480 1 8 ALA MB 1 35 VAL H 5.000 . 6.000 2.681 2.450 2.968 . 0 0 "[ . 1 . 2]" 1
481 1 8 ALA MB 1 35 VAL HB 3.000 . 3.500 1.983 1.863 2.109 . 0 0 "[ . 1 . 2]" 1
482 1 8 ALA MB 1 35 VAL MG1 4.000 . 4.750 3.278 3.176 3.305 . 0 0 "[ . 1 . 2]" 1
483 1 8 ALA MB 1 35 VAL MG2 5.000 . 6.000 2.659 1.936 2.975 . 0 0 "[ . 1 . 2]" 1
484 1 8 ALA HA 1 36 LEU QD 5.000 . 6.000 4.184 3.972 4.393 . 0 0 "[ . 1 . 2]" 1
485 1 9 MET H 1 36 LEU QD 5.000 . 6.000 3.958 3.597 4.438 . 0 0 "[ . 1 . 2]" 1
486 1 12 VAL MG2 1 23 ILE MD 5.000 . 6.000 3.571 3.392 3.731 . 0 0 "[ . 1 . 2]" 1
487 1 12 VAL MG1 1 36 LEU HA 5.000 . 6.000 3.165 2.941 3.413 . 0 0 "[ . 1 . 2]" 1
488 1 12 VAL MG2 1 36 LEU HA 5.000 . 6.000 1.940 1.824 2.276 . 0 0 "[ . 1 . 2]" 1
489 1 12 VAL MG1 1 37 LYS H 5.000 . 6.000 3.882 3.707 4.071 . 0 0 "[ . 1 . 2]" 1
490 1 12 VAL MG2 1 37 LYS H 4.000 . 4.750 2.511 2.228 2.816 . 0 0 "[ . 1 . 2]" 1
491 1 12 VAL MG2 1 38 GLU H 5.000 . 6.000 4.563 4.382 4.818 . 0 0 "[ . 1 . 2]" 1
492 1 12 VAL MG2 1 40 ILE HB 5.000 . 6.000 5.000 4.969 5.008 . 0 0 "[ . 1 . 2]" 1
493 1 13 ARG H 1 23 ILE MD 5.000 . 6.000 3.485 3.171 3.923 . 0 0 "[ . 1 . 2]" 1
494 1 13 ARG HA 1 23 ILE H 4.000 . 4.750 4.019 3.806 4.221 . 0 0 "[ . 1 . 2]" 1
495 1 13 ARG HA 1 23 ILE MD 4.000 . 4.750 2.628 2.376 2.922 . 0 0 "[ . 1 . 2]" 1
496 1 13 ARG QD 1 24 ARG H 4.000 . 4.750 4.253 4.244 4.272 . 0 0 "[ . 1 . 2]" 1
497 1 15 TRP HD1 1 23 ILE MD 5.000 . 6.000 5.003 4.920 5.019 . 0 0 "[ . 1 . 2]" 1
498 1 15 TRP HD1 1 37 LYS HA 4.000 . 4.750 3.586 3.331 3.784 . 0 0 "[ . 1 . 2]" 1
499 1 15 TRP HD1 1 37 LYS HB2 5.000 . 6.000 5.614 5.262 6.000 . 0 0 "[ . 1 . 2]" 1
500 1 15 TRP HD1 1 37 LYS QG 5.000 . 6.000 3.959 3.551 4.450 . 0 0 "[ . 1 . 2]" 1
501 1 15 TRP HE1 1 37 LYS QG 5.000 . 6.000 3.870 3.672 3.989 . 0 0 "[ . 1 . 2]" 1
502 1 15 TRP HE3 1 37 LYS QD 5.000 . 6.000 4.892 4.276 5.350 . 0 0 "[ . 1 . 2]" 1
503 1 15 TRP HH2 1 37 LYS QD 5.000 . 6.000 5.333 5.038 5.351 . 0 0 "[ . 1 . 2]" 1
504 1 15 TRP HB3 1 40 ILE MG 5.000 . 6.000 3.821 3.758 3.903 . 0 0 "[ . 1 . 2]" 1
505 1 15 TRP HB2 1 40 ILE MG 5.000 . 6.000 4.904 4.848 4.966 . 0 0 "[ . 1 . 2]" 1
506 1 15 TRP HD1 1 40 ILE HB 3.000 . 3.500 2.298 2.151 2.463 . 0 0 "[ . 1 . 2]" 1
507 1 15 TRP HD1 1 40 ILE MG 3.000 . 3.500 1.935 1.915 1.963 . 0 0 "[ . 1 . 2]" 1
508 1 15 TRP HD1 1 40 ILE MD 4.000 . 4.750 3.504 3.433 3.627 . 0 0 "[ . 1 . 2]" 1
509 1 15 TRP HD1 1 40 ILE QG 3.000 . 3.500 2.036 1.946 2.215 . 0 0 "[ . 1 . 2]" 1
510 1 15 TRP HE1 1 40 ILE HB 4.000 . 4.750 2.443 2.196 2.695 . 0 0 "[ . 1 . 2]" 1
511 1 15 TRP HE1 1 40 ILE MG 5.000 . 6.000 1.942 1.924 1.958 . 0 0 "[ . 1 . 2]" 1
512 1 15 TRP HE1 1 40 ILE QG 5.000 . 6.000 3.901 3.783 4.062 . 0 0 "[ . 1 . 2]" 1
513 1 15 TRP HD1 1 41 ASP H 4.000 . 4.750 4.549 4.347 4.747 . 0 0 "[ . 1 . 2]" 1
514 1 15 TRP HE1 1 41 ASP H 5.000 . 6.000 3.457 3.108 3.770 . 0 0 "[ . 1 . 2]" 1
515 1 15 TRP HE1 1 41 ASP HA 5.000 . 6.000 3.477 3.242 3.700 . 0 0 "[ . 1 . 2]" 1
516 1 15 TRP HE1 1 44 LEU QD 5.000 . 6.000 3.233 2.749 3.563 . 0 0 "[ . 1 . 2]" 1
517 1 16 ALA H 1 21 VAL HB 4.000 . 4.750 4.804 4.792 4.820 0.070 16 0 "[ . 1 . 2]" 1
518 1 16 ALA HA 1 21 VAL H 4.000 . 4.750 3.217 3.086 3.318 . 0 0 "[ . 1 . 2]" 1
519 1 16 ALA HA 1 21 VAL HB 3.000 . 3.500 2.405 2.360 2.473 . 0 0 "[ . 1 . 2]" 1
520 1 16 ALA HA 1 21 VAL MG1 5.000 . 6.000 3.920 3.853 3.980 . 0 0 "[ . 1 . 2]" 1
521 1 16 ALA MB 1 21 VAL H 5.000 . 6.000 3.468 3.288 3.634 . 0 0 "[ . 1 . 2]" 1
522 1 16 ALA MB 1 21 VAL MG1 5.000 . 6.000 2.500 2.360 2.585 . 0 0 "[ . 1 . 2]" 1
523 1 16 ALA MB 1 22 ASP H 5.000 . 6.000 3.828 3.755 3.900 . 0 0 "[ . 1 . 2]" 1
524 1 16 ALA H 1 23 ILE MD 5.000 . 6.000 4.265 4.148 4.397 . 0 0 "[ . 1 . 2]" 1
525 1 16 ALA MB 1 23 ILE H 4.000 . 4.750 3.054 2.694 3.319 . 0 0 "[ . 1 . 2]" 1
526 1 16 ALA MB 1 23 ILE MD 4.000 . 4.750 2.885 2.789 3.005 . 0 0 "[ . 1 . 2]" 1
527 1 16 ALA MB 1 26 VAL MG2 5.000 . 6.000 3.526 3.439 3.730 . 0 0 "[ . 1 . 2]" 1
528 1 16 ALA H 1 40 ILE MG 5.000 . 6.000 3.565 3.452 3.740 . 0 0 "[ . 1 . 2]" 1
529 1 16 ALA H 1 40 ILE MD 5.000 . 6.000 4.083 3.968 4.243 . 0 0 "[ . 1 . 2]" 1
530 1 16 ALA H 1 40 ILE QG 4.000 . 4.750 3.756 3.559 3.948 . 0 0 "[ . 1 . 2]" 1
531 1 21 VAL MG1 1 26 VAL MG1 5.000 . 6.000 3.938 3.839 4.112 . 0 0 "[ . 1 . 2]" 1
532 1 21 VAL MG1 1 26 VAL MG2 5.000 . 6.000 2.280 2.141 2.419 . 0 0 "[ . 1 . 2]" 1
533 1 21 VAL MG1 1 40 ILE HA 5.000 . 6.000 3.921 3.828 4.064 . 0 0 "[ . 1 . 2]" 1
534 1 21 VAL MG1 1 40 ILE MG 5.000 . 6.000 2.910 2.828 3.076 . 0 0 "[ . 1 . 2]" 1
535 1 21 VAL HA 1 43 PHE QD 5.000 . 6.000 5.325 5.277 5.360 . 0 0 "[ . 1 . 2]" 1
536 1 21 VAL HA 1 43 PHE QE 5.000 . 6.000 4.269 4.132 4.457 . 0 0 "[ . 1 . 2]" 1
537 1 21 VAL MG1 1 43 PHE QB 5.000 . 6.000 3.182 3.043 3.396 . 0 0 "[ . 1 . 2]" 1
538 1 21 VAL MG1 1 43 PHE QD 4.000 . 4.750 2.722 2.560 2.933 . 0 0 "[ . 1 . 2]" 1
539 1 21 VAL MG1 1 43 PHE QE 5.000 . 6.000 2.839 2.620 3.117 . 0 0 "[ . 1 . 2]" 1
540 1 21 VAL MG2 1 43 PHE HZ 5.000 . 6.000 4.658 4.452 4.850 . 0 0 "[ . 1 . 2]" 1
541 1 21 VAL MG2 1 43 PHE QD 3.000 . 3.500 2.602 2.599 2.605 . 0 0 "[ . 1 . 2]" 1
542 1 21 VAL MG2 1 43 PHE QE 4.000 . 4.750 2.955 2.784 3.109 . 0 0 "[ . 1 . 2]" 1
543 1 22 ASP H 1 43 PHE QE 5.000 . 6.000 4.833 4.715 4.968 . 0 0 "[ . 1 . 2]" 1
544 1 23 ILE H 1 40 ILE MD 5.000 . 6.000 4.597 4.363 4.789 . 0 0 "[ . 1 . 2]" 1
545 1 23 ILE HA 1 40 ILE MD 5.000 . 6.000 3.189 3.114 3.261 . 0 0 "[ . 1 . 2]" 1
546 1 23 ILE MD 1 40 ILE H 5.000 . 6.000 4.965 4.828 5.003 . 0 0 "[ . 1 . 2]" 1
547 1 23 ILE MD 1 40 ILE QG 5.000 . 6.000 3.153 2.982 3.245 . 0 0 "[ . 1 . 2]" 1
548 1 25 LEU HG 1 43 PHE HZ 5.000 . 6.000 4.909 4.609 5.034 . 0 0 "[ . 1 . 2]" 1
549 1 25 LEU HG 1 43 PHE QE 5.000 . 6.000 4.777 4.685 4.904 . 0 0 "[ . 1 . 2]" 1
550 1 25 LEU MD1 1 43 PHE HZ 4.000 . 4.750 2.089 2.007 2.238 . 0 0 "[ . 1 . 2]" 1
551 1 25 LEU MD1 1 43 PHE QD 5.000 . 6.000 3.421 3.322 3.534 . 0 0 "[ . 1 . 2]" 1
552 1 25 LEU MD1 1 43 PHE QE 4.000 . 4.750 2.330 2.198 2.529 . 0 0 "[ . 1 . 2]" 1
553 1 25 LEU MD2 1 43 PHE HZ 5.000 . 6.000 3.233 2.957 3.426 . 0 0 "[ . 1 . 2]" 1
554 1 25 LEU MD2 1 43 PHE QE 5.000 . 6.000 3.839 3.630 3.939 . 0 0 "[ . 1 . 2]" 1
555 1 25 LEU QB 1 43 PHE HZ 4.000 . 4.750 3.460 3.176 3.732 . 0 0 "[ . 1 . 2]" 1
556 1 25 LEU QB 1 43 PHE QD 5.000 . 6.000 4.735 4.708 4.771 . 0 0 "[ . 1 . 2]" 1
557 1 25 LEU QB 1 43 PHE QE 3.000 . 3.500 2.793 2.786 2.801 . 0 0 "[ . 1 . 2]" 1
558 1 26 VAL MG1 1 35 VAL H 5.000 . 6.000 5.012 5.005 5.019 . 0 0 "[ . 1 . 2]" 1
559 1 26 VAL MG1 1 35 VAL MG2 5.000 . 6.000 2.073 1.942 2.356 . 0 0 "[ . 1 . 2]" 1
560 1 26 VAL MG2 1 35 VAL MG1 5.000 . 6.000 2.914 2.782 3.087 . 0 0 "[ . 1 . 2]" 1
561 1 26 VAL MG2 1 35 VAL MG2 5.000 . 6.000 3.644 3.504 3.772 . 0 0 "[ . 1 . 2]" 1
562 1 26 VAL MG1 1 36 LEU H 5.000 . 6.000 4.557 4.294 4.850 . 0 0 "[ . 1 . 2]" 1
563 1 26 VAL MG1 1 39 ASP H 5.000 . 6.000 4.997 4.935 5.009 . 0 0 "[ . 1 . 2]" 1
564 1 26 VAL MG1 1 39 ASP HA 5.000 . 6.000 4.136 4.069 4.183 . 0 0 "[ . 1 . 2]" 1
565 1 26 VAL MG1 1 39 ASP HB3 4.000 . 4.750 2.346 2.285 2.411 . 0 0 "[ . 1 . 2]" 1
566 1 26 VAL MG1 1 39 ASP HB2 4.000 . 4.750 3.272 3.042 3.356 . 0 0 "[ . 1 . 2]" 1
567 1 26 VAL MG2 1 40 ILE HA 5.000 . 6.000 3.374 3.231 3.512 . 0 0 "[ . 1 . 2]" 1
568 1 26 VAL MG2 1 40 ILE QG 5.000 . 6.000 4.156 3.938 4.279 . 0 0 "[ . 1 . 2]" 1
569 1 26 VAL HA 1 43 PHE QD 3.000 . 3.500 2.888 2.751 3.117 . 0 0 "[ . 1 . 2]" 1
570 1 26 VAL HA 1 43 PHE QE 4.000 . 4.750 3.587 3.396 3.661 . 0 0 "[ . 1 . 2]" 1
571 1 26 VAL MG1 1 43 PHE H 5.000 . 6.000 4.247 4.153 4.509 . 0 0 "[ . 1 . 2]" 1
572 1 26 VAL MG1 1 43 PHE HA 5.000 . 6.000 4.534 4.344 4.818 . 0 0 "[ . 1 . 2]" 1
573 1 26 VAL MG1 1 43 PHE QB 5.000 . 6.000 2.652 2.525 2.942 . 0 0 "[ . 1 . 2]" 1
574 1 26 VAL MG1 1 43 PHE QD 5.000 . 6.000 2.895 2.823 2.994 . 0 0 "[ . 1 . 2]" 1
575 1 26 VAL MG1 1 43 PHE QE 5.000 . 6.000 4.471 4.466 4.479 . 0 0 "[ . 1 . 2]" 1
576 1 26 VAL MG2 1 43 PHE H 5.000 . 6.000 5.006 5.002 5.014 . 0 0 "[ . 1 . 2]" 1
577 1 26 VAL MG2 1 43 PHE HA 5.000 . 6.000 4.910 4.836 4.996 . 0 0 "[ . 1 . 2]" 1
578 1 26 VAL MG2 1 43 PHE QB 5.000 . 6.000 2.806 2.755 2.872 . 0 0 "[ . 1 . 2]" 1
579 1 26 VAL MG2 1 43 PHE QD 4.000 . 4.750 2.655 2.422 2.865 . 0 0 "[ . 1 . 2]" 1
580 1 26 VAL MG2 1 43 PHE QE 5.000 . 6.000 3.208 2.921 3.362 . 0 0 "[ . 1 . 2]" 1
581 1 27 GLN HA 1 35 VAL MG2 5.000 . 6.000 3.641 3.560 3.794 . 0 0 "[ . 1 . 2]" 1
582 1 27 GLN H 1 43 PHE QD 5.000 . 6.000 4.244 4.019 4.576 . 0 0 "[ . 1 . 2]" 1
583 1 28 GLY H 1 35 VAL MG1 5.000 . 6.000 3.803 3.612 4.171 . 0 0 "[ . 1 . 2]" 1
584 1 28 GLY H 1 35 VAL MG2 4.000 . 4.750 1.878 1.820 2.055 . 0 0 "[ . 1 . 2]" 1
585 1 28 GLY QA 1 35 VAL HA 3.000 . 3.500 1.911 1.840 1.991 . 0 0 "[ . 1 . 2]" 1
586 1 28 GLY QA 1 35 VAL MG2 4.000 . 4.750 1.934 1.818 2.070 . 0 0 "[ . 1 . 2]" 1
587 1 28 GLY QA 1 36 LEU H 5.000 . 6.000 3.460 3.329 3.608 . 0 0 "[ . 1 . 2]" 1
588 1 29 THR H 1 35 VAL HA 5.000 . 6.000 3.319 3.019 3.533 . 0 0 "[ . 1 . 2]" 1
589 1 30 GLY H 1 35 VAL HA 4.000 . 4.750 3.866 3.743 4.006 . 0 0 "[ . 1 . 2]" 1
590 1 30 GLY H 1 36 LEU HB2 5.000 . 6.000 5.760 4.945 5.885 . 0 0 "[ . 1 . 2]" 1
591 1 30 GLY H 1 36 LEU HG 3.000 . 3.500 3.504 3.419 3.584 0.084 2 0 "[ . 1 . 2]" 1
592 1 30 GLY H 1 36 LEU QD 4.000 . 4.750 3.229 1.708 3.468 0.092 2 0 "[ . 1 . 2]" 1
593 1 30 GLY QA 1 36 LEU QD 4.000 . 4.750 1.958 1.791 2.297 0.009 18 0 "[ . 1 . 2]" 1
594 1 31 LYS H 1 36 LEU QD 5.000 . 6.000 3.900 3.669 4.339 . 0 0 "[ . 1 . 2]" 1
595 1 35 VAL MG1 1 40 ILE H 5.000 . 6.000 3.042 2.951 3.171 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 52
_Distance_constraint_stats_list.Viol_count 392
_Distance_constraint_stats_list.Viol_total 84.829
_Distance_constraint_stats_list.Viol_max 0.056
_Distance_constraint_stats_list.Viol_rms 0.0081
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0041
_Distance_constraint_stats_list.Viol_average_violations_only 0.0108
_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 7 ILE 0.005 0.004 7 0 "[ . 1 . 2]"
1 9 MET 0.253 0.037 11 0 "[ . 1 . 2]"
1 10 PRO 0.069 0.019 16 0 "[ . 1 . 2]"
1 11 SER 0.074 0.010 1 0 "[ . 1 . 2]"
1 12 VAL 0.125 0.015 14 0 "[ . 1 . 2]"
1 13 ARG 0.272 0.037 11 0 "[ . 1 . 2]"
1 14 LYS 0.185 0.026 14 0 "[ . 1 . 2]"
1 15 TRP 0.413 0.040 17 0 "[ . 1 . 2]"
1 16 ALA 1.631 0.056 16 0 "[ . 1 . 2]"
1 17 ARG 0.019 0.008 7 0 "[ . 1 . 2]"
1 18 GLU 0.115 0.026 14 0 "[ . 1 . 2]"
1 19 LYS 0.339 0.040 17 0 "[ . 1 . 2]"
1 20 GLY 0.531 0.035 14 0 "[ . 1 . 2]"
1 21 VAL 0.976 0.056 16 0 "[ . 1 . 2]"
1 22 ASP 0.134 0.023 8 0 "[ . 1 . 2]"
1 23 ILE 0.075 0.014 20 0 "[ . 1 . 2]"
1 24 ARG 0.001 0.001 16 0 "[ . 1 . 2]"
1 25 LEU 0.133 0.023 8 0 "[ . 1 . 2]"
1 26 VAL 0.254 0.019 6 0 "[ . 1 . 2]"
1 28 GLY 0.179 0.019 6 0 "[ . 1 . 2]"
1 29 THR 0.063 0.029 2 0 "[ . 1 . 2]"
1 30 GLY 0.271 0.018 11 0 "[ . 1 . 2]"
1 33 GLY 0.129 0.018 3 0 "[ . 1 . 2]"
1 34 ARG 0.142 0.018 11 0 "[ . 1 . 2]"
1 35 VAL 0.005 0.004 7 0 "[ . 1 . 2]"
1 36 LEU 0.324 0.052 2 0 "[ . 1 . 2]"
1 37 LYS 0.064 0.008 15 0 "[ . 1 . 2]"
1 38 GLU 0.156 0.015 13 0 "[ . 1 . 2]"
1 39 ASP 0.233 0.052 2 0 "[ . 1 . 2]"
1 40 ILE 0.442 0.025 18 0 "[ . 1 . 2]"
1 41 ASP 0.246 0.017 2 0 "[ . 1 . 2]"
1 42 ALA 0.156 0.015 13 0 "[ . 1 . 2]"
1 43 PHE 0.026 0.008 9 0 "[ . 1 . 2]"
1 44 LEU 0.262 0.025 18 0 "[ . 1 . 2]"
1 45 ALA 0.181 0.017 2 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 9 MET O 1 13 ARG H 1.950 . 2.100 2.103 2.008 2.137 0.037 11 0 "[ . 1 . 2]" 2
2 1 9 MET O 1 13 ARG N 2.900 2.700 3.100 3.050 2.981 3.090 . 0 0 "[ . 1 . 2]" 2
3 1 10 PRO O 1 14 LYS H 1.950 . 2.100 1.991 1.867 2.119 0.019 16 0 "[ . 1 . 2]" 2
4 1 10 PRO O 1 14 LYS N 2.900 2.700 3.100 2.927 2.787 3.058 . 0 0 "[ . 1 . 2]" 2
5 1 11 SER O 1 15 TRP H 1.950 . 2.100 2.018 1.790 2.107 0.010 1 0 "[ . 1 . 2]" 2
6 1 11 SER O 1 15 TRP N 2.900 2.700 3.100 2.874 2.695 2.984 0.005 1 0 "[ . 1 . 2]" 2
7 1 12 VAL O 1 16 ALA H 1.950 . 2.100 1.813 1.785 1.897 0.015 14 0 "[ . 1 . 2]" 2
8 1 12 VAL O 1 16 ALA N 2.900 2.700 3.100 2.772 2.741 2.852 . 0 0 "[ . 1 . 2]" 2
9 1 13 ARG O 1 17 ARG H 1.950 . 2.100 1.847 1.792 1.978 0.008 7 0 "[ . 1 . 2]" 2
10 1 13 ARG O 1 17 ARG N 2.900 2.700 3.100 2.800 2.700 2.949 0.000 13 0 "[ . 1 . 2]" 2
11 1 14 LYS O 1 18 GLU H 1.950 . 2.100 2.066 1.930 2.126 0.026 14 0 "[ . 1 . 2]" 2
12 1 14 LYS O 1 18 GLU N 2.900 2.700 3.100 2.855 2.699 2.984 0.001 17 0 "[ . 1 . 2]" 2
13 1 15 TRP O 1 19 LYS H 1.950 . 2.100 2.117 2.107 2.140 0.040 17 0 "[ . 1 . 2]" 2
14 1 15 TRP O 1 19 LYS N 2.900 2.700 3.100 2.960 2.883 3.064 . 0 0 "[ . 1 . 2]" 2
15 1 16 ALA O 1 20 GLY H 1.950 . 2.100 2.076 1.862 2.112 0.012 4 0 "[ . 1 . 2]" 2
16 1 16 ALA O 1 20 GLY N 2.900 2.700 3.100 2.679 2.665 2.689 0.035 14 0 "[ . 1 . 2]" 2
17 1 16 ALA O 1 21 VAL H 1.950 . 2.100 1.965 1.777 2.111 0.023 5 0 "[ . 1 . 2]" 2
18 1 16 ALA O 1 21 VAL N 2.900 2.700 3.100 2.661 2.644 2.683 0.056 16 0 "[ . 1 . 2]" 2
19 1 22 ASP OD1 1 24 ARG H 1.950 . 2.100 1.894 1.799 2.070 0.001 16 0 "[ . 1 . 2]" 2
20 1 22 ASP OD1 1 24 ARG N 2.900 2.700 3.100 2.843 2.714 3.037 . 0 0 "[ . 1 . 2]" 2
21 1 22 ASP O 1 25 LEU H 1.950 . 2.100 1.906 1.777 2.105 0.023 8 0 "[ . 1 . 2]" 2
22 1 22 ASP O 1 25 LEU N 2.900 2.700 3.100 2.856 2.733 3.028 . 0 0 "[ . 1 . 2]" 2
23 1 23 ILE O 1 26 VAL H 1.950 . 2.100 2.061 1.911 2.114 0.014 20 0 "[ . 1 . 2]" 2
24 1 23 ILE O 1 26 VAL N 2.900 2.700 3.100 2.941 2.799 3.014 . 0 0 "[ . 1 . 2]" 2
25 1 26 VAL O 1 28 GLY H 1.950 . 2.100 2.109 2.101 2.119 0.019 6 0 "[ . 1 . 2]" 2
26 1 26 VAL O 1 28 GLY N 2.900 2.700 3.100 2.838 2.728 2.895 . 0 0 "[ . 1 . 2]" 2
27 1 29 THR H 1 39 ASP OD2 1.950 . 2.100 2.084 1.912 2.129 0.029 2 0 "[ . 1 . 2]" 2
28 1 29 THR N 1 39 ASP OD2 2.900 2.700 3.100 3.004 2.858 3.048 . 0 0 "[ . 1 . 2]" 2
29 1 30 GLY H 1 34 ARG O 1.950 . 2.100 2.085 1.998 2.110 0.010 2 0 "[ . 1 . 2]" 2
30 1 30 GLY N 1 34 ARG O 2.900 2.700 3.100 2.821 2.725 2.900 . 0 0 "[ . 1 . 2]" 2
31 1 30 GLY O 1 33 GLY H 1.950 . 2.100 2.040 1.873 2.118 0.018 3 0 "[ . 1 . 2]" 2
32 1 30 GLY O 1 33 GLY N 2.900 2.700 3.100 2.876 2.688 2.982 0.012 2 0 "[ . 1 . 2]" 2
33 1 30 GLY O 1 34 ARG H 1.950 . 2.100 1.960 1.789 2.118 0.018 11 0 "[ . 1 . 2]" 2
34 1 30 GLY O 1 34 ARG N 2.900 2.700 3.100 2.925 2.688 3.094 0.012 2 0 "[ . 1 . 2]" 2
35 1 7 ILE O 1 35 VAL H 1.950 . 2.100 1.956 1.796 2.079 0.004 7 0 "[ . 1 . 2]" 2
36 1 7 ILE O 1 35 VAL N 2.900 2.700 3.100 2.882 2.725 3.015 . 0 0 "[ . 1 . 2]" 2
37 1 36 LEU H 1 39 ASP OD2 1.950 . 2.100 2.025 1.860 2.152 0.052 2 0 "[ . 1 . 2]" 2
38 1 36 LEU N 1 39 ASP OD2 2.900 2.700 3.100 2.961 2.802 3.059 . 0 0 "[ . 1 . 2]" 2
39 1 36 LEU O 1 39 ASP H 1.950 . 2.100 2.103 2.090 2.106 0.006 18 0 "[ . 1 . 2]" 2
40 1 36 LEU O 1 39 ASP N 2.900 2.700 3.100 2.738 2.703 2.784 . 0 0 "[ . 1 . 2]" 2
41 1 36 LEU O 1 40 ILE H 1.950 . 2.100 2.109 2.097 2.118 0.018 1 0 "[ . 1 . 2]" 2
42 1 36 LEU O 1 40 ILE N 2.900 2.700 3.100 3.063 3.051 3.075 . 0 0 "[ . 1 . 2]" 2
43 1 37 LYS O 1 41 ASP H 1.950 . 2.100 2.087 1.980 2.108 0.008 15 0 "[ . 1 . 2]" 2
44 1 37 LYS O 1 41 ASP N 2.900 2.700 3.100 3.038 2.928 3.068 . 0 0 "[ . 1 . 2]" 2
45 1 38 GLU O 1 42 ALA H 1.950 . 2.100 2.108 2.104 2.115 0.015 13 0 "[ . 1 . 2]" 2
46 1 38 GLU O 1 42 ALA N 2.900 2.700 3.100 2.922 2.876 2.996 . 0 0 "[ . 1 . 2]" 2
47 1 39 ASP O 1 43 PHE H 1.950 . 2.100 1.910 1.796 2.027 0.004 14 0 "[ . 1 . 2]" 2
48 1 39 ASP O 1 43 PHE N 2.900 2.700 3.100 2.735 2.692 2.827 0.008 9 0 "[ . 1 . 2]" 2
49 1 40 ILE O 1 44 LEU H 1.950 . 2.100 2.113 2.100 2.125 0.025 18 0 "[ . 1 . 2]" 2
50 1 40 ILE O 1 44 LEU N 2.900 2.700 3.100 3.014 2.876 3.076 . 0 0 "[ . 1 . 2]" 2
51 1 41 ASP O 1 45 ALA H 1.950 . 2.100 2.109 2.096 2.117 0.017 2 0 "[ . 1 . 2]" 2
52 1 41 ASP O 1 45 ALA N 2.900 2.700 3.100 2.956 2.852 3.058 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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