NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401771 |
1w4f   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w4f
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 762
_Distance_constraint_stats_list.Viol_count 432
_Distance_constraint_stats_list.Viol_total 292.474
_Distance_constraint_stats_list.Viol_max 0.128
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0339
_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 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 ARG 0.142 0.038 4 0 "[ . 1 . 2]"
1 5 ARG 0.313 0.052 10 0 "[ . 1 . 2]"
1 6 VAL 0.172 0.052 10 0 "[ . 1 . 2]"
1 7 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ALA 0.012 0.012 12 0 "[ . 1 . 2]"
1 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.894 0.052 11 0 "[ . 1 . 2]"
1 13 ARG 0.894 0.052 11 0 "[ . 1 . 2]"
1 14 LYS 1.494 0.093 7 0 "[ . 1 . 2]"
1 15 TYR 2.671 0.093 7 0 "[ . 1 . 2]"
1 16 ALA 1.561 0.128 16 0 "[ . 1 . 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 1.597 0.045 1 0 "[ . 1 . 2]"
1 19 LYS 0.122 0.018 9 0 "[ . 1 . 2]"
1 20 GLY 0.698 0.045 1 0 "[ . 1 . 2]"
1 21 VAL 0.490 0.037 2 0 "[ . 1 . 2]"
1 22 ASP 1.000 0.051 2 0 "[ . 1 . 2]"
1 23 ILE 0.012 0.012 12 0 "[ . 1 . 2]"
1 24 ARG 0.718 0.051 2 0 "[ . 1 . 2]"
1 25 LEU 2.344 0.085 2 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 0.696 0.063 9 0 "[ . 1 . 2]"
1 29 THR 0.102 0.015 5 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 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 0.673 0.063 9 0 "[ . 1 . 2]"
1 35 VAL 0.023 0.013 19 0 "[ . 1 . 2]"
1 36 LEU 1.033 0.060 1 0 "[ . 1 . 2]"
1 37 LYS 0.502 0.031 2 0 "[ . 1 . 2]"
1 38 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ASP 2.301 0.060 1 0 "[ . 1 . 2]"
1 40 ILE 3.906 0.128 16 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 1.316 0.043 2 0 "[ . 1 . 2]"
1 44 LEU 0.589 0.043 2 0 "[ . 1 . 2]"
1 45 ALA 0.018 0.009 5 0 "[ . 1 . 2]"
1 46 GLY 0.002 0.002 4 0 "[ . 1 . 2]"
1 47 GLY 0.003 0.002 4 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 HA 1 4 ARG QG 3.000 . 3.500 2.183 2.009 2.487 . 0 0 "[ . 1 . 2]" 1
2 1 4 ARG QB 1 4 ARG QD 3.000 . 3.500 2.077 1.930 2.530 . 0 0 "[ . 1 . 2]" 1
3 1 5 ARG H 1 5 ARG QB 3.000 . 3.500 2.514 2.055 2.959 . 0 0 "[ . 1 . 2]" 1
4 1 5 ARG H 1 5 ARG QG 4.000 . 4.750 3.474 1.992 4.245 . 0 0 "[ . 1 . 2]" 1
5 1 5 ARG H 1 5 ARG QD 5.000 . 6.000 4.226 2.663 5.237 . 0 0 "[ . 1 . 2]" 1
6 1 5 ARG QB 1 5 ARG QD 3.000 . 3.500 2.063 1.923 2.369 . 0 0 "[ . 1 . 2]" 1
7 1 6 VAL H 1 6 VAL HB 3.000 . 3.500 2.632 2.358 2.988 . 0 0 "[ . 1 . 2]" 1
8 1 6 VAL H 1 6 VAL MG2 4.000 . 4.750 2.738 1.922 3.270 . 0 0 "[ . 1 . 2]" 1
9 1 6 VAL HA 1 6 VAL HB 3.000 . 3.500 3.012 2.988 3.022 . 0 0 "[ . 1 . 2]" 1
10 1 7 ILE H 1 7 ILE HB 3.000 . 3.500 2.732 2.561 2.800 . 0 0 "[ . 1 . 2]" 1
11 1 7 ILE H 1 7 ILE MG 4.000 . 4.750 3.882 3.800 3.918 . 0 0 "[ . 1 . 2]" 1
12 1 7 ILE H 1 7 ILE QG 4.000 . 4.750 3.171 2.143 3.371 . 0 0 "[ . 1 . 2]" 1
13 1 7 ILE HA 1 7 ILE HB 3.000 . 3.500 3.021 3.017 3.024 . 0 0 "[ . 1 . 2]" 1
14 1 7 ILE HA 1 7 ILE MG 3.000 . 3.500 2.383 2.332 2.415 . 0 0 "[ . 1 . 2]" 1
15 1 7 ILE HA 1 7 ILE QG 3.000 . 3.500 2.353 2.320 2.511 . 0 0 "[ . 1 . 2]" 1
16 1 7 ILE HB 1 7 ILE MD 3.000 . 3.500 2.161 2.037 2.282 . 0 0 "[ . 1 . 2]" 1
17 1 9 MET H 1 9 MET HB3 4.000 . 4.750 3.414 3.388 3.487 . 0 0 "[ . 1 . 2]" 1
18 1 9 MET H 1 9 MET HB2 3.000 . 3.500 2.105 2.082 2.177 . 0 0 "[ . 1 . 2]" 1
19 1 9 MET H 1 9 MET QG 3.000 . 3.500 3.085 2.815 3.132 . 0 0 "[ . 1 . 2]" 1
20 1 9 MET HA 1 9 MET ME 5.000 . 6.000 4.196 2.034 4.607 . 0 0 "[ . 1 . 2]" 1
21 1 9 MET HB3 1 9 MET ME 4.000 . 4.750 2.987 2.162 3.930 . 0 0 "[ . 1 . 2]" 1
22 1 9 MET HB2 1 9 MET ME 4.000 . 4.750 3.292 2.461 3.957 . 0 0 "[ . 1 . 2]" 1
23 1 12 VAL H 1 12 VAL HA 3.000 . 3.500 2.830 2.808 2.843 . 0 0 "[ . 1 . 2]" 1
24 1 12 VAL H 1 12 VAL HB 3.000 . 3.500 2.549 2.492 2.608 . 0 0 "[ . 1 . 2]" 1
25 1 12 VAL H 1 12 VAL MG2 4.000 . 4.750 2.038 1.946 2.123 . 0 0 "[ . 1 . 2]" 1
26 1 12 VAL HA 1 12 VAL HB 3.000 . 3.500 3.016 3.015 3.018 . 0 0 "[ . 1 . 2]" 1
27 1 12 VAL HA 1 12 VAL MG1 3.000 . 3.500 2.381 2.348 2.419 . 0 0 "[ . 1 . 2]" 1
28 1 12 VAL HA 1 12 VAL MG2 3.000 . 3.500 2.430 2.388 2.468 . 0 0 "[ . 1 . 2]" 1
29 1 13 ARG H 1 13 ARG QB 3.000 . 3.500 2.381 2.107 2.594 . 0 0 "[ . 1 . 2]" 1
30 1 13 ARG H 1 13 ARG QG 3.000 . 3.500 2.408 1.952 3.112 . 0 0 "[ . 1 . 2]" 1
31 1 13 ARG H 1 13 ARG QD 4.000 . 4.750 3.588 2.942 4.188 . 0 0 "[ . 1 . 2]" 1
32 1 13 ARG HA 1 13 ARG QG 3.000 . 3.500 2.398 2.175 2.555 . 0 0 "[ . 1 . 2]" 1
33 1 13 ARG HA 1 13 ARG QD 4.000 . 4.750 4.047 3.849 4.257 . 0 0 "[ . 1 . 2]" 1
34 1 13 ARG QB 1 13 ARG QD 3.000 . 3.500 2.127 1.992 2.378 . 0 0 "[ . 1 . 2]" 1
35 1 14 LYS H 1 14 LYS HA 3.000 . 3.500 2.874 2.869 2.875 . 0 0 "[ . 1 . 2]" 1
36 1 14 LYS H 1 14 LYS QB 3.000 . 3.500 2.270 2.259 2.280 . 0 0 "[ . 1 . 2]" 1
37 1 14 LYS H 1 14 LYS QG 4.000 . 4.750 4.016 3.995 4.046 . 0 0 "[ . 1 . 2]" 1
38 1 14 LYS H 1 14 LYS QD 4.000 . 4.750 4.219 4.109 4.255 . 0 0 "[ . 1 . 2]" 1
39 1 14 LYS HA 1 14 LYS QG 3.000 . 3.500 2.633 2.278 2.896 . 0 0 "[ . 1 . 2]" 1
40 1 14 LYS HA 1 14 LYS QD 4.000 . 4.750 3.014 2.012 4.113 . 0 0 "[ . 1 . 2]" 1
41 1 14 LYS QB 1 14 LYS QD 3.000 . 3.500 2.092 1.920 2.471 . 0 0 "[ . 1 . 2]" 1
42 1 14 LYS QB 1 14 LYS QE 4.000 . 4.750 3.348 2.315 3.771 . 0 0 "[ . 1 . 2]" 1
43 1 14 LYS QE 1 14 LYS QG 3.000 . 3.500 2.142 1.960 2.417 . 0 0 "[ . 1 . 2]" 1
44 1 15 TYR H 1 15 TYR HA 3.000 . 3.500 2.822 2.818 2.828 . 0 0 "[ . 1 . 2]" 1
45 1 15 TYR H 1 15 TYR HB3 3.000 . 3.500 2.432 2.420 2.438 . 0 0 "[ . 1 . 2]" 1
46 1 15 TYR H 1 15 TYR HB2 3.000 . 3.500 2.594 2.581 2.608 . 0 0 "[ . 1 . 2]" 1
47 1 15 TYR H 1 15 TYR QD 4.000 . 4.750 4.176 4.172 4.179 . 0 0 "[ . 1 . 2]" 1
48 1 15 TYR HA 1 15 TYR HB2 3.000 . 3.500 2.422 2.420 2.426 . 0 0 "[ . 1 . 2]" 1
49 1 15 TYR HA 1 15 TYR QD 3.000 . 3.500 2.397 2.359 2.424 . 0 0 "[ . 1 . 2]" 1
50 1 15 TYR HA 1 15 TYR QE 5.000 . 6.000 4.507 4.487 4.520 . 0 0 "[ . 1 . 2]" 1
51 1 15 TYR HB3 1 15 TYR QD 3.000 . 3.500 2.270 2.265 2.273 . 0 0 "[ . 1 . 2]" 1
52 1 15 TYR HB2 1 15 TYR QD 3.000 . 3.500 2.632 2.620 2.667 . 0 0 "[ . 1 . 2]" 1
53 1 16 ALA H 1 16 ALA HA 3.000 . 3.500 2.833 2.826 2.837 . 0 0 "[ . 1 . 2]" 1
54 1 16 ALA H 1 16 ALA MB 3.000 . 3.500 2.147 2.119 2.188 . 0 0 "[ . 1 . 2]" 1
55 1 17 ARG H 1 17 ARG QB 3.000 . 3.500 2.229 2.210 2.241 . 0 0 "[ . 1 . 2]" 1
56 1 17 ARG H 1 17 ARG QG 4.000 . 4.750 3.986 3.950 4.025 . 0 0 "[ . 1 . 2]" 1
57 1 17 ARG H 1 17 ARG QD 4.000 . 4.750 4.238 4.138 4.292 . 0 0 "[ . 1 . 2]" 1
58 1 17 ARG HA 1 17 ARG QD 4.000 . 4.750 2.965 2.163 3.950 . 0 0 "[ . 1 . 2]" 1
59 1 17 ARG QB 1 17 ARG QD 3.000 . 3.500 2.070 1.912 2.299 . 0 0 "[ . 1 . 2]" 1
60 1 18 GLU H 1 18 GLU HA 3.000 . 3.500 2.891 2.889 2.893 . 0 0 "[ . 1 . 2]" 1
61 1 18 GLU H 1 18 GLU HB3 3.000 . 3.500 3.539 3.533 3.543 0.043 15 0 "[ . 1 . 2]" 1
62 1 18 GLU H 1 18 GLU HB2 3.000 . 3.500 2.265 2.253 2.274 . 0 0 "[ . 1 . 2]" 1
63 1 18 GLU H 1 18 GLU QG 3.000 . 3.500 2.796 2.746 2.867 . 0 0 "[ . 1 . 2]" 1
64 1 18 GLU HA 1 18 GLU HB3 3.000 . 3.500 2.588 2.581 2.600 . 0 0 "[ . 1 . 2]" 1
65 1 18 GLU HA 1 18 GLU HB2 3.000 . 3.500 3.005 3.001 3.008 . 0 0 "[ . 1 . 2]" 1
66 1 19 LYS H 1 19 LYS HA 3.000 . 3.500 2.883 2.869 2.888 . 0 0 "[ . 1 . 2]" 1
67 1 19 LYS H 1 19 LYS QB 3.000 . 3.500 2.306 2.260 2.353 . 0 0 "[ . 1 . 2]" 1
68 1 19 LYS H 1 19 LYS QG 3.000 . 3.500 2.704 2.413 3.136 . 0 0 "[ . 1 . 2]" 1
69 1 19 LYS H 1 19 LYS QD 3.000 . 3.500 2.980 2.425 3.130 . 0 0 "[ . 1 . 2]" 1
70 1 19 LYS H 1 19 LYS QE 4.000 . 4.750 4.244 4.187 4.292 . 0 0 "[ . 1 . 2]" 1
71 1 19 LYS HA 1 19 LYS QG 3.000 . 3.500 3.061 3.024 3.094 . 0 0 "[ . 1 . 2]" 1
72 1 19 LYS HA 1 19 LYS QD 4.000 . 4.750 1.911 1.869 2.161 . 0 0 "[ . 1 . 2]" 1
73 1 19 LYS QB 1 19 LYS QD 3.000 . 3.500 2.638 2.543 2.857 . 0 0 "[ . 1 . 2]" 1
74 1 19 LYS QE 1 19 LYS QG 3.000 . 3.500 2.187 2.059 2.430 . 0 0 "[ . 1 . 2]" 1
75 1 21 VAL H 1 21 VAL HA 3.000 . 3.500 2.941 2.923 2.947 . 0 0 "[ . 1 . 2]" 1
76 1 21 VAL H 1 21 VAL HB 3.000 . 3.500 2.470 2.392 2.505 . 0 0 "[ . 1 . 2]" 1
77 1 21 VAL H 1 21 VAL MG1 4.000 . 4.750 3.757 3.732 3.772 . 0 0 "[ . 1 . 2]" 1
78 1 21 VAL H 1 21 VAL MG2 4.000 . 4.750 2.889 2.727 2.927 . 0 0 "[ . 1 . 2]" 1
79 1 21 VAL HA 1 21 VAL HB 3.000 . 3.500 3.019 3.016 3.021 . 0 0 "[ . 1 . 2]" 1
80 1 21 VAL HA 1 21 VAL MG2 3.000 . 3.500 2.187 2.173 2.251 . 0 0 "[ . 1 . 2]" 1
81 1 22 ASP H 1 22 ASP HA 3.000 . 3.500 2.941 2.939 2.943 . 0 0 "[ . 1 . 2]" 1
82 1 22 ASP H 1 22 ASP HB3 3.000 . 3.500 2.725 2.653 2.783 . 0 0 "[ . 1 . 2]" 1
83 1 22 ASP H 1 22 ASP HB2 3.000 . 3.500 2.891 2.807 2.979 . 0 0 "[ . 1 . 2]" 1
84 1 22 ASP HA 1 22 ASP HB2 3.000 . 3.500 2.540 2.494 2.582 . 0 0 "[ . 1 . 2]" 1
85 1 23 ILE H 1 23 ILE HA 3.000 . 3.500 2.756 2.745 2.764 . 0 0 "[ . 1 . 2]" 1
86 1 23 ILE H 1 23 ILE HB 3.000 . 3.500 2.715 2.678 2.786 . 0 0 "[ . 1 . 2]" 1
87 1 23 ILE H 1 23 ILE MG 4.000 . 4.750 3.758 3.745 3.765 . 0 0 "[ . 1 . 2]" 1
88 1 23 ILE H 1 23 ILE MD 5.000 . 6.000 2.904 2.762 3.013 . 0 0 "[ . 1 . 2]" 1
89 1 23 ILE H 1 23 ILE QG 4.000 . 4.750 1.850 1.815 1.889 . 0 0 "[ . 1 . 2]" 1
90 1 23 ILE HA 1 23 ILE HB 3.000 . 3.500 3.017 3.013 3.021 . 0 0 "[ . 1 . 2]" 1
91 1 23 ILE HA 1 23 ILE MD 4.000 . 4.750 2.096 1.954 2.250 . 0 0 "[ . 1 . 2]" 1
92 1 23 ILE HA 1 23 ILE QG 3.000 . 3.500 3.004 2.949 3.078 . 0 0 "[ . 1 . 2]" 1
93 1 24 ARG H 1 24 ARG QB 3.000 . 3.500 2.280 2.108 2.550 . 0 0 "[ . 1 . 2]" 1
94 1 24 ARG H 1 24 ARG QG 3.000 . 3.500 2.651 2.291 3.118 . 0 0 "[ . 1 . 2]" 1
95 1 24 ARG H 1 24 ARG QD 4.000 . 4.750 3.784 3.130 4.241 . 0 0 "[ . 1 . 2]" 1
96 1 24 ARG HA 1 24 ARG QD 4.000 . 4.750 3.807 2.536 4.258 . 0 0 "[ . 1 . 2]" 1
97 1 24 ARG QB 1 24 ARG QD 3.000 . 3.500 2.104 1.957 2.501 . 0 0 "[ . 1 . 2]" 1
98 1 25 LEU H 1 25 LEU HA 3.000 . 3.500 2.893 2.881 2.901 . 0 0 "[ . 1 . 2]" 1
99 1 25 LEU H 1 25 LEU HB3 3.000 . 3.500 3.571 3.566 3.585 0.085 2 0 "[ . 1 . 2]" 1
100 1 25 LEU H 1 25 LEU HB2 3.000 . 3.500 2.941 2.872 3.012 . 0 0 "[ . 1 . 2]" 1
101 1 25 LEU H 1 25 LEU HG 3.000 . 3.500 1.851 1.824 1.890 . 0 0 "[ . 1 . 2]" 1
102 1 25 LEU H 1 25 LEU MD1 4.000 . 4.750 3.546 3.501 3.565 . 0 0 "[ . 1 . 2]" 1
103 1 25 LEU H 1 25 LEU MD2 4.000 . 4.750 2.546 2.423 2.761 . 0 0 "[ . 1 . 2]" 1
104 1 25 LEU HA 1 25 LEU HB3 3.000 . 3.500 2.258 2.237 2.279 . 0 0 "[ . 1 . 2]" 1
105 1 25 LEU HA 1 25 LEU HB2 3.000 . 3.500 2.946 2.924 2.965 . 0 0 "[ . 1 . 2]" 1
106 1 25 LEU HA 1 25 LEU HG 3.000 . 3.500 3.522 3.471 3.551 0.051 10 0 "[ . 1 . 2]" 1
107 1 25 LEU HA 1 25 LEU MD1 4.000 . 4.750 3.975 3.969 3.988 . 0 0 "[ . 1 . 2]" 1
108 1 25 LEU HA 1 25 LEU MD2 4.000 . 4.750 2.476 2.261 2.620 . 0 0 "[ . 1 . 2]" 1
109 1 25 LEU HB3 1 25 LEU HG 3.000 . 3.500 3.011 3.007 3.015 . 0 0 "[ . 1 . 2]" 1
110 1 25 LEU HB2 1 25 LEU HG 3.000 . 3.500 2.473 2.459 2.498 . 0 0 "[ . 1 . 2]" 1
111 1 26 VAL H 1 26 VAL HA 3.000 . 3.500 2.946 2.942 2.949 . 0 0 "[ . 1 . 2]" 1
112 1 26 VAL H 1 26 VAL HB 3.000 . 3.500 2.764 2.719 2.817 . 0 0 "[ . 1 . 2]" 1
113 1 26 VAL H 1 26 VAL MG2 4.000 . 4.750 2.520 2.262 2.598 . 0 0 "[ . 1 . 2]" 1
114 1 26 VAL HA 1 26 VAL HB 3.000 . 3.500 3.010 3.005 3.015 . 0 0 "[ . 1 . 2]" 1
115 1 26 VAL HA 1 26 VAL MG1 3.000 . 3.500 2.175 2.121 2.285 . 0 0 "[ . 1 . 2]" 1
116 1 27 GLN H 1 27 GLN QB 3.000 . 3.500 2.320 2.056 2.849 . 0 0 "[ . 1 . 2]" 1
117 1 27 GLN H 1 27 GLN QG 4.000 . 4.750 3.576 1.959 4.044 . 0 0 "[ . 1 . 2]" 1
118 1 27 GLN HA 1 27 GLN QG 3.000 . 3.500 2.387 2.009 3.288 . 0 0 "[ . 1 . 2]" 1
119 1 27 GLN HA 1 27 GLN QE 5.000 . 6.000 4.390 3.482 5.265 . 0 0 "[ . 1 . 2]" 1
120 1 29 THR H 1 29 THR HB 3.000 . 3.500 3.505 3.496 3.515 0.015 5 0 "[ . 1 . 2]" 1
121 1 29 THR H 1 29 THR MG 4.000 . 4.750 3.459 3.412 3.487 . 0 0 "[ . 1 . 2]" 1
122 1 31 LYS H 1 31 LYS QB 3.000 . 3.500 2.999 2.831 3.123 . 0 0 "[ . 1 . 2]" 1
123 1 31 LYS H 1 31 LYS QG 4.000 . 4.750 3.444 2.781 4.260 . 0 0 "[ . 1 . 2]" 1
124 1 31 LYS HA 1 31 LYS QD 3.000 . 3.500 2.645 1.983 3.141 . 0 0 "[ . 1 . 2]" 1
125 1 31 LYS QB 1 31 LYS QD 3.000 . 3.500 2.352 1.972 2.717 . 0 0 "[ . 1 . 2]" 1
126 1 31 LYS QB 1 31 LYS QE 3.000 . 3.500 2.331 1.933 2.792 . 0 0 "[ . 1 . 2]" 1
127 1 31 LYS QE 1 31 LYS QG 3.000 . 3.500 2.201 2.042 2.457 . 0 0 "[ . 1 . 2]" 1
128 1 34 ARG H 1 34 ARG QB 3.000 . 3.500 2.251 2.140 2.282 . 0 0 "[ . 1 . 2]" 1
129 1 34 ARG H 1 34 ARG QG 4.000 . 4.750 3.973 3.955 3.992 . 0 0 "[ . 1 . 2]" 1
130 1 34 ARG H 1 34 ARG QD 5.000 . 6.000 4.494 3.790 4.886 . 0 0 "[ . 1 . 2]" 1
131 1 34 ARG HA 1 34 ARG QG 3.000 . 3.500 2.434 2.109 2.581 . 0 0 "[ . 1 . 2]" 1
132 1 34 ARG QB 1 34 ARG QD 3.000 . 3.500 2.219 1.918 2.494 . 0 0 "[ . 1 . 2]" 1
133 1 35 VAL H 1 35 VAL HB 3.000 . 3.500 2.348 2.312 2.391 . 0 0 "[ . 1 . 2]" 1
134 1 35 VAL H 1 35 VAL MG2 4.000 . 4.750 2.580 2.415 2.810 . 0 0 "[ . 1 . 2]" 1
135 1 35 VAL HA 1 35 VAL HB 3.000 . 3.500 3.009 3.000 3.014 . 0 0 "[ . 1 . 2]" 1
136 1 36 LEU H 1 36 LEU HB3 4.000 . 4.750 3.657 3.623 3.670 . 0 0 "[ . 1 . 2]" 1
137 1 36 LEU H 1 36 LEU HB2 3.000 . 3.500 2.455 2.401 2.472 . 0 0 "[ . 1 . 2]" 1
138 1 36 LEU H 1 36 LEU HG 3.000 . 3.500 2.982 2.858 3.100 . 0 0 "[ . 1 . 2]" 1
139 1 36 LEU H 1 36 LEU QD 4.000 . 4.750 3.254 3.165 3.338 . 0 0 "[ . 1 . 2]" 1
140 1 36 LEU HA 1 36 LEU HG 4.000 . 4.750 3.303 3.254 3.342 . 0 0 "[ . 1 . 2]" 1
141 1 36 LEU HA 1 36 LEU QD 3.000 . 3.500 1.982 1.953 2.024 . 0 0 "[ . 1 . 2]" 1
142 1 36 LEU HB3 1 36 LEU HG 3.000 . 3.500 3.002 2.995 3.011 . 0 0 "[ . 1 . 2]" 1
143 1 36 LEU HB3 1 36 LEU QD 3.000 . 3.500 2.119 2.069 2.133 . 0 0 "[ . 1 . 2]" 1
144 1 36 LEU HB2 1 36 LEU HG 3.000 . 3.500 2.345 2.327 2.374 . 0 0 "[ . 1 . 2]" 1
145 1 36 LEU HB2 1 36 LEU QD 3.000 . 3.500 2.388 2.341 2.441 . 0 0 "[ . 1 . 2]" 1
146 1 37 LYS H 1 37 LYS HA 3.000 . 3.500 2.791 2.787 2.797 . 0 0 "[ . 1 . 2]" 1
147 1 37 LYS H 1 37 LYS HB3 3.000 . 3.500 2.698 2.577 2.789 . 0 0 "[ . 1 . 2]" 1
148 1 37 LYS H 1 37 LYS HB2 3.000 . 3.500 2.413 2.339 2.527 . 0 0 "[ . 1 . 2]" 1
149 1 37 LYS H 1 37 LYS QG 4.000 . 4.750 3.959 3.916 4.014 . 0 0 "[ . 1 . 2]" 1
150 1 37 LYS HA 1 37 LYS HB3 3.000 . 3.500 3.024 3.016 3.029 . 0 0 "[ . 1 . 2]" 1
151 1 37 LYS HA 1 37 LYS HB2 3.000 . 3.500 2.526 2.469 2.572 . 0 0 "[ . 1 . 2]" 1
152 1 37 LYS HA 1 37 LYS QG 3.000 . 3.500 2.382 2.332 2.424 . 0 0 "[ . 1 . 2]" 1
153 1 37 LYS HA 1 37 LYS QD 4.000 . 4.750 3.893 3.217 4.166 . 0 0 "[ . 1 . 2]" 1
154 1 37 LYS HB3 1 37 LYS QD 3.000 . 3.500 2.271 1.976 2.955 . 0 0 "[ . 1 . 2]" 1
155 1 37 LYS QE 1 37 LYS QG 3.000 . 3.500 2.090 1.954 2.496 . 0 0 "[ . 1 . 2]" 1
156 1 38 GLU H 1 38 GLU HA 3.000 . 3.500 2.829 2.822 2.834 . 0 0 "[ . 1 . 2]" 1
157 1 38 GLU H 1 38 GLU QB 3.000 . 3.500 2.444 2.043 2.635 . 0 0 "[ . 1 . 2]" 1
158 1 38 GLU H 1 38 GLU QG 4.000 . 4.750 2.341 1.979 3.487 . 0 0 "[ . 1 . 2]" 1
159 1 38 GLU HA 1 38 GLU QG 3.000 . 3.500 2.659 2.348 3.026 . 0 0 "[ . 1 . 2]" 1
160 1 39 ASP H 1 39 ASP HA 3.000 . 3.500 2.822 2.817 2.830 . 0 0 "[ . 1 . 2]" 1
161 1 39 ASP H 1 39 ASP HB3 3.000 . 3.500 3.507 3.503 3.511 0.011 10 0 "[ . 1 . 2]" 1
162 1 39 ASP H 1 39 ASP HB2 3.000 . 3.500 2.207 2.200 2.214 . 0 0 "[ . 1 . 2]" 1
163 1 39 ASP HA 1 39 ASP HB3 3.000 . 3.500 2.657 2.647 2.667 . 0 0 "[ . 1 . 2]" 1
164 1 40 ILE H 1 40 ILE HA 3.000 . 3.500 2.768 2.766 2.770 . 0 0 "[ . 1 . 2]" 1
165 1 40 ILE H 1 40 ILE HB 3.000 . 3.500 2.703 2.678 2.724 . 0 0 "[ . 1 . 2]" 1
166 1 40 ILE H 1 40 ILE MG 4.000 . 4.750 3.764 3.757 3.770 . 0 0 "[ . 1 . 2]" 1
167 1 40 ILE H 1 40 ILE MD 4.000 . 4.750 2.748 2.649 2.907 . 0 0 "[ . 1 . 2]" 1
168 1 40 ILE H 1 40 ILE QG 3.000 . 3.500 1.883 1.859 1.905 . 0 0 "[ . 1 . 2]" 1
169 1 40 ILE HA 1 40 ILE MG 3.000 . 3.500 2.323 2.303 2.348 . 0 0 "[ . 1 . 2]" 1
170 1 40 ILE HA 1 40 ILE MD 4.000 . 4.750 2.201 2.164 2.271 . 0 0 "[ . 1 . 2]" 1
171 1 40 ILE MD 1 40 ILE MG 3.000 . 3.500 1.925 1.820 1.984 . 0 0 "[ . 1 . 2]" 1
172 1 40 ILE QG 1 40 ILE MG 3.000 . 3.500 2.264 2.238 2.309 . 0 0 "[ . 1 . 2]" 1
173 1 41 ASP H 1 41 ASP QB 3.000 . 3.500 2.182 2.099 2.250 . 0 0 "[ . 1 . 2]" 1
174 1 42 ALA H 1 42 ALA HA 3.000 . 3.500 2.809 2.801 2.820 . 0 0 "[ . 1 . 2]" 1
175 1 42 ALA H 1 42 ALA MB 3.000 . 3.500 2.142 2.088 2.235 . 0 0 "[ . 1 . 2]" 1
176 1 43 TRP H 1 43 TRP HA 3.000 . 3.500 2.801 2.791 2.806 . 0 0 "[ . 1 . 2]" 1
177 1 43 TRP H 1 43 TRP HB3 3.000 . 3.500 2.700 2.674 2.728 . 0 0 "[ . 1 . 2]" 1
178 1 43 TRP H 1 43 TRP HB2 3.000 . 3.500 2.354 2.333 2.374 . 0 0 "[ . 1 . 2]" 1
179 1 43 TRP H 1 43 TRP HD1 5.000 . 6.000 5.202 5.181 5.222 . 0 0 "[ . 1 . 2]" 1
180 1 43 TRP H 1 43 TRP HE3 4.000 . 4.750 4.246 4.194 4.293 . 0 0 "[ . 1 . 2]" 1
181 1 43 TRP HA 1 43 TRP HB3 3.000 . 3.500 3.019 3.016 3.021 . 0 0 "[ . 1 . 2]" 1
182 1 43 TRP HA 1 43 TRP HB2 3.000 . 3.500 2.545 2.529 2.560 . 0 0 "[ . 1 . 2]" 1
183 1 43 TRP HA 1 43 TRP HD1 4.000 . 4.750 4.482 4.446 4.500 . 0 0 "[ . 1 . 2]" 1
184 1 43 TRP HA 1 43 TRP HE3 4.000 . 4.750 2.337 2.273 2.445 . 0 0 "[ . 1 . 2]" 1
185 1 43 TRP HB3 1 43 TRP HD1 3.000 . 3.500 2.546 2.543 2.550 . 0 0 "[ . 1 . 2]" 1
186 1 43 TRP HB3 1 43 TRP HE3 4.000 . 4.750 4.221 4.218 4.223 . 0 0 "[ . 1 . 2]" 1
187 1 43 TRP HB2 1 43 TRP HE3 3.000 . 3.500 2.942 2.891 2.973 . 0 0 "[ . 1 . 2]" 1
188 1 44 LEU H 1 44 LEU HA 3.000 . 3.500 2.821 2.804 2.837 . 0 0 "[ . 1 . 2]" 1
189 1 44 LEU H 1 44 LEU HG 3.000 . 3.500 2.263 2.152 2.294 . 0 0 "[ . 1 . 2]" 1
190 1 44 LEU H 1 44 LEU MD1 4.000 . 4.750 2.590 2.534 2.836 . 0 0 "[ . 1 . 2]" 1
191 1 44 LEU H 1 44 LEU MD2 5.000 . 6.000 3.814 3.707 3.837 . 0 0 "[ . 1 . 2]" 1
192 1 44 LEU H 1 44 LEU QB 3.000 . 3.500 2.517 2.496 2.533 . 0 0 "[ . 1 . 2]" 1
193 1 44 LEU HA 1 44 LEU HG 3.000 . 3.500 2.663 2.641 2.767 . 0 0 "[ . 1 . 2]" 1
194 1 44 LEU HA 1 44 LEU MD2 3.000 . 3.500 2.884 2.676 2.921 . 0 0 "[ . 1 . 2]" 1
195 1 44 LEU QB 1 44 LEU MD1 3.000 . 3.500 2.033 2.013 2.061 . 0 0 "[ . 1 . 2]" 1
196 1 44 LEU QB 1 44 LEU MD2 3.000 . 3.500 1.957 1.938 2.064 . 0 0 "[ . 1 . 2]" 1
197 1 45 ALA H 1 45 ALA HA 3.000 . 3.500 2.869 2.836 2.931 . 0 0 "[ . 1 . 2]" 1
198 1 45 ALA H 1 45 ALA MB 3.000 . 3.500 2.210 2.095 2.316 . 0 0 "[ . 1 . 2]" 1
199 1 3 ASN HA 1 4 ARG H 4.000 . 4.750 2.817 2.150 3.571 . 0 0 "[ . 1 . 2]" 1
200 1 4 ARG HA 1 5 ARG H 3.000 . 3.500 2.729 2.137 3.538 0.038 4 0 "[ . 1 . 2]" 1
201 1 5 ARG HA 1 6 VAL H 3.000 . 3.500 2.880 2.137 3.552 0.052 10 0 "[ . 1 . 2]" 1
202 1 6 VAL H 1 7 ILE H 5.000 . 6.000 4.472 4.312 4.608 . 0 0 "[ . 1 . 2]" 1
203 1 6 VAL HA 1 7 ILE H 2.500 . 2.800 2.233 2.163 2.356 . 0 0 "[ . 1 . 2]" 1
204 1 6 VAL HB 1 7 ILE H 4.000 . 4.750 3.928 3.363 4.190 . 0 0 "[ . 1 . 2]" 1
205 1 6 VAL MG1 1 7 ILE H 4.000 . 4.750 2.079 1.907 2.261 . 0 0 "[ . 1 . 2]" 1
206 1 6 VAL MG1 1 7 ILE HA 5.000 . 6.000 3.607 3.312 4.164 . 0 0 "[ . 1 . 2]" 1
207 1 6 VAL MG2 1 7 ILE H 5.000 . 6.000 3.849 3.632 4.065 . 0 0 "[ . 1 . 2]" 1
208 1 7 ILE H 1 8 ALA H 5.000 . 6.000 4.150 4.077 4.405 . 0 0 "[ . 1 . 2]" 1
209 1 7 ILE H 1 8 ALA MB 5.000 . 6.000 3.971 3.752 4.463 . 0 0 "[ . 1 . 2]" 1
210 1 7 ILE HA 1 8 ALA H 3.000 . 3.500 2.125 2.105 2.137 . 0 0 "[ . 1 . 2]" 1
211 1 7 ILE HA 1 8 ALA MB 5.000 . 6.000 4.015 3.946 4.068 . 0 0 "[ . 1 . 2]" 1
212 1 7 ILE MG 1 8 ALA H 4.000 . 4.750 2.846 2.661 3.011 . 0 0 "[ . 1 . 2]" 1
213 1 7 ILE QG 1 8 ALA H 4.000 . 4.750 4.275 4.259 4.296 . 0 0 "[ . 1 . 2]" 1
214 1 8 ALA H 1 9 MET H 5.000 . 6.000 4.288 4.223 4.331 . 0 0 "[ . 1 . 2]" 1
215 1 8 ALA HA 1 9 MET H 3.000 . 3.500 2.281 2.230 2.341 . 0 0 "[ . 1 . 2]" 1
216 1 8 ALA HA 1 9 MET HB2 5.000 . 6.000 4.355 4.313 4.395 . 0 0 "[ . 1 . 2]" 1
217 1 8 ALA MB 1 9 MET H 4.000 . 4.750 2.720 2.575 2.903 . 0 0 "[ . 1 . 2]" 1
218 1 9 MET H 1 10 PRO QD 5.000 . 6.000 4.376 4.366 4.394 . 0 0 "[ . 1 . 2]" 1
219 1 9 MET HB3 1 10 PRO QD 3.000 . 3.500 2.496 2.227 2.768 . 0 0 "[ . 1 . 2]" 1
220 1 9 MET HB2 1 10 PRO QD 4.000 . 4.750 3.739 3.562 3.924 . 0 0 "[ . 1 . 2]" 1
221 1 9 MET QG 1 10 PRO QD 5.000 . 6.000 2.446 1.949 3.400 . 0 0 "[ . 1 . 2]" 1
222 1 11 SER HA 1 12 VAL H 4.000 . 4.750 3.496 3.480 3.527 . 0 0 "[ . 1 . 2]" 1
223 1 11 SER QB 1 12 VAL H 5.000 . 6.000 3.059 2.714 3.552 . 0 0 "[ . 1 . 2]" 1
224 1 12 VAL H 1 13 ARG H 3.000 . 3.500 2.672 2.619 2.736 . 0 0 "[ . 1 . 2]" 1
225 1 12 VAL H 1 13 ARG QB 5.000 . 6.000 4.558 4.331 4.746 . 0 0 "[ . 1 . 2]" 1
226 1 12 VAL HA 1 13 ARG H 3.000 . 3.500 3.545 3.537 3.552 0.052 11 0 "[ . 1 . 2]" 1
227 1 12 VAL HB 1 13 ARG H 3.000 . 3.500 2.467 2.386 2.533 . 0 0 "[ . 1 . 2]" 1
228 1 12 VAL MG1 1 13 ARG H 5.000 . 6.000 3.401 3.319 3.486 . 0 0 "[ . 1 . 2]" 1
229 1 12 VAL MG2 1 13 ARG H 5.000 . 6.000 3.748 3.701 3.811 . 0 0 "[ . 1 . 2]" 1
230 1 13 ARG H 1 14 LYS H 3.000 . 3.500 2.670 2.664 2.679 . 0 0 "[ . 1 . 2]" 1
231 1 13 ARG HA 1 14 LYS H 4.000 . 4.750 3.474 3.465 3.482 . 0 0 "[ . 1 . 2]" 1
232 1 14 LYS H 1 15 TYR H 3.000 . 3.500 2.393 2.381 2.407 . 0 0 "[ . 1 . 2]" 1
233 1 14 LYS H 1 15 TYR HB3 5.000 . 6.000 4.511 4.488 4.527 . 0 0 "[ . 1 . 2]" 1
234 1 14 LYS H 1 15 TYR HB2 4.000 . 4.750 4.825 4.817 4.843 0.093 7 0 "[ . 1 . 2]" 1
235 1 14 LYS HA 1 15 TYR H 4.000 . 4.750 3.520 3.516 3.527 . 0 0 "[ . 1 . 2]" 1
236 1 14 LYS QB 1 15 TYR H 3.000 . 3.500 2.578 2.524 2.611 . 0 0 "[ . 1 . 2]" 1
237 1 15 TYR H 1 16 ALA H 3.000 . 3.500 2.713 2.698 2.725 . 0 0 "[ . 1 . 2]" 1
238 1 15 TYR HA 1 16 ALA H 4.000 . 4.750 3.565 3.562 3.569 . 0 0 "[ . 1 . 2]" 1
239 1 15 TYR HB3 1 16 ALA H 3.000 . 3.500 2.457 2.446 2.474 . 0 0 "[ . 1 . 2]" 1
240 1 15 TYR HB2 1 16 ALA H 4.000 . 4.750 3.841 3.833 3.854 . 0 0 "[ . 1 . 2]" 1
241 1 15 TYR QD 1 16 ALA H 4.000 . 4.750 3.519 3.491 3.559 . 0 0 "[ . 1 . 2]" 1
242 1 15 TYR QD 1 16 ALA HA 4.000 . 4.750 3.953 3.907 4.038 . 0 0 "[ . 1 . 2]" 1
243 1 15 TYR QE 1 16 ALA H 5.000 . 6.000 5.413 5.399 5.432 . 0 0 "[ . 1 . 2]" 1
244 1 16 ALA H 1 17 ARG H 3.000 . 3.500 2.547 2.527 2.584 . 0 0 "[ . 1 . 2]" 1
245 1 16 ALA HA 1 17 ARG H 4.000 . 4.750 3.529 3.524 3.533 . 0 0 "[ . 1 . 2]" 1
246 1 16 ALA MB 1 17 ARG H 4.000 . 4.750 2.458 2.411 2.493 . 0 0 "[ . 1 . 2]" 1
247 1 17 ARG H 1 18 GLU H 3.000 . 3.500 2.692 2.679 2.714 . 0 0 "[ . 1 . 2]" 1
248 1 17 ARG H 1 18 GLU HA 5.000 . 6.000 5.312 5.306 5.328 . 0 0 "[ . 1 . 2]" 1
249 1 17 ARG H 1 18 GLU HB2 5.000 . 6.000 4.729 4.709 4.759 . 0 0 "[ . 1 . 2]" 1
250 1 17 ARG HA 1 18 GLU H 4.000 . 4.750 3.496 3.491 3.502 . 0 0 "[ . 1 . 2]" 1
251 1 17 ARG QB 1 18 GLU H 3.000 . 3.500 2.786 2.755 2.807 . 0 0 "[ . 1 . 2]" 1
252 1 17 ARG QG 1 18 GLU H 4.000 . 4.750 3.764 3.654 4.108 . 0 0 "[ . 1 . 2]" 1
253 1 17 ARG QG 1 18 GLU HA 4.000 . 4.750 3.764 3.568 4.238 . 0 0 "[ . 1 . 2]" 1
254 1 18 GLU H 1 19 LYS H 3.000 . 3.500 2.329 2.319 2.342 . 0 0 "[ . 1 . 2]" 1
255 1 18 GLU H 1 19 LYS HA 5.000 . 6.000 5.017 5.009 5.026 . 0 0 "[ . 1 . 2]" 1
256 1 18 GLU H 1 19 LYS QB 4.000 . 4.750 4.288 4.252 4.318 . 0 0 "[ . 1 . 2]" 1
257 1 18 GLU H 1 19 LYS QG 5.000 . 6.000 4.343 4.006 4.821 . 0 0 "[ . 1 . 2]" 1
258 1 18 GLU HA 1 19 LYS H 4.000 . 4.750 3.510 3.503 3.520 . 0 0 "[ . 1 . 2]" 1
259 1 18 GLU HB3 1 19 LYS H 3.000 . 3.500 3.501 3.454 3.518 0.018 9 0 "[ . 1 . 2]" 1
260 1 18 GLU HB2 1 19 LYS H 3.000 . 3.500 2.752 2.727 2.769 . 0 0 "[ . 1 . 2]" 1
261 1 18 GLU HB2 1 19 LYS QB 5.000 . 6.000 4.528 4.490 4.578 . 0 0 "[ . 1 . 2]" 1
262 1 18 GLU HB2 1 19 LYS QG 4.000 . 4.750 3.644 3.358 4.234 . 0 0 "[ . 1 . 2]" 1
263 1 18 GLU HB2 1 19 LYS QD 5.000 . 6.000 3.521 2.826 3.778 . 0 0 "[ . 1 . 2]" 1
264 1 18 GLU QG 1 19 LYS H 4.000 . 4.750 4.241 4.233 4.248 . 0 0 "[ . 1 . 2]" 1
265 1 19 LYS H 1 20 GLY H 3.000 . 3.500 2.931 2.736 2.985 . 0 0 "[ . 1 . 2]" 1
266 1 19 LYS HA 1 20 GLY H 4.000 . 4.750 3.043 3.010 3.195 . 0 0 "[ . 1 . 2]" 1
267 1 19 LYS QB 1 20 GLY H 4.000 . 4.750 3.714 3.549 3.747 . 0 0 "[ . 1 . 2]" 1
268 1 19 LYS QG 1 20 GLY H 5.000 . 6.000 4.904 4.750 5.091 . 0 0 "[ . 1 . 2]" 1
269 1 19 LYS QD 1 20 GLY H 5.000 . 6.000 4.299 4.102 4.444 . 0 0 "[ . 1 . 2]" 1
270 1 20 GLY H 1 21 VAL H 3.000 . 3.500 2.730 2.615 2.763 . 0 0 "[ . 1 . 2]" 1
271 1 20 GLY H 1 21 VAL HB 5.000 . 6.000 4.943 4.820 4.979 . 0 0 "[ . 1 . 2]" 1
272 1 20 GLY H 1 21 VAL MG2 5.000 . 6.000 4.558 4.445 4.589 . 0 0 "[ . 1 . 2]" 1
273 1 20 GLY QA 1 21 VAL H 3.000 . 3.500 2.852 2.831 2.909 . 0 0 "[ . 1 . 2]" 1
274 1 20 GLY QA 1 21 VAL HA 4.000 . 4.750 4.037 4.032 4.054 . 0 0 "[ . 1 . 2]" 1
275 1 21 VAL HA 1 22 ASP H 2.500 . 2.800 2.211 2.189 2.222 . 0 0 "[ . 1 . 2]" 1
276 1 21 VAL HA 1 22 ASP HA 5.000 . 6.000 4.394 4.384 4.399 . 0 0 "[ . 1 . 2]" 1
277 1 21 VAL HA 1 22 ASP HB3 4.000 . 4.750 4.723 4.631 4.787 0.037 2 0 "[ . 1 . 2]" 1
278 1 21 VAL HA 1 22 ASP HB2 4.000 . 4.750 4.307 4.231 4.392 . 0 0 "[ . 1 . 2]" 1
279 1 21 VAL HB 1 22 ASP H 4.000 . 4.750 4.047 4.018 4.063 . 0 0 "[ . 1 . 2]" 1
280 1 21 VAL MG1 1 22 ASP H 4.000 . 4.750 2.259 2.196 2.323 . 0 0 "[ . 1 . 2]" 1
281 1 22 ASP H 1 23 ILE HA 5.000 . 6.000 5.065 5.054 5.086 . 0 0 "[ . 1 . 2]" 1
282 1 22 ASP HA 1 23 ILE H 2.500 . 2.800 2.162 2.153 2.168 . 0 0 "[ . 1 . 2]" 1
283 1 22 ASP HB3 1 23 ILE H 5.000 . 6.000 4.046 3.968 4.116 . 0 0 "[ . 1 . 2]" 1
284 1 22 ASP HB2 1 23 ILE H 4.000 . 4.750 4.292 4.239 4.327 . 0 0 "[ . 1 . 2]" 1
285 1 23 ILE H 1 24 ARG H 3.000 . 3.500 2.787 2.766 2.834 . 0 0 "[ . 1 . 2]" 1
286 1 23 ILE HA 1 24 ARG H 4.000 . 4.750 3.460 3.452 3.477 . 0 0 "[ . 1 . 2]" 1
287 1 23 ILE HA 1 24 ARG HA 5.000 . 6.000 4.810 4.777 4.819 . 0 0 "[ . 1 . 2]" 1
288 1 23 ILE HB 1 24 ARG H 3.000 . 3.500 3.070 3.043 3.096 . 0 0 "[ . 1 . 2]" 1
289 1 23 ILE MG 1 24 ARG H 4.000 . 4.750 3.903 3.826 3.964 . 0 0 "[ . 1 . 2]" 1
290 1 24 ARG H 1 25 LEU H 3.000 . 3.500 2.584 2.562 2.602 . 0 0 "[ . 1 . 2]" 1
291 1 24 ARG H 1 25 LEU HG 4.000 . 4.750 3.681 3.662 3.714 . 0 0 "[ . 1 . 2]" 1
292 1 24 ARG H 1 25 LEU MD1 5.000 . 6.000 5.019 5.010 5.025 . 0 0 "[ . 1 . 2]" 1
293 1 24 ARG H 1 25 LEU MD2 5.000 . 6.000 3.935 3.769 4.263 . 0 0 "[ . 1 . 2]" 1
294 1 24 ARG HA 1 25 LEU H 4.000 . 4.750 3.494 3.484 3.507 . 0 0 "[ . 1 . 2]" 1
295 1 24 ARG HA 1 25 LEU HG 5.000 . 6.000 5.128 5.111 5.149 . 0 0 "[ . 1 . 2]" 1
296 1 24 ARG HA 1 25 LEU MD2 5.000 . 6.000 4.285 4.109 4.651 . 0 0 "[ . 1 . 2]" 1
297 1 24 ARG QB 1 25 LEU H 4.000 . 4.750 2.861 2.685 3.530 . 0 0 "[ . 1 . 2]" 1
298 1 25 LEU H 1 26 VAL H 3.000 . 3.500 2.417 2.363 2.460 . 0 0 "[ . 1 . 2]" 1
299 1 25 LEU H 1 26 VAL MG2 5.000 . 6.000 3.412 3.129 3.491 . 0 0 "[ . 1 . 2]" 1
300 1 25 LEU HA 1 26 VAL H 4.000 . 4.750 3.304 3.260 3.343 . 0 0 "[ . 1 . 2]" 1
301 1 25 LEU HB3 1 26 VAL H 4.000 . 4.750 4.481 4.415 4.540 . 0 0 "[ . 1 . 2]" 1
302 1 25 LEU HB2 1 26 VAL H 4.000 . 4.750 3.577 3.451 3.705 . 0 0 "[ . 1 . 2]" 1
303 1 25 LEU HB2 1 26 VAL MG2 5.000 . 6.000 2.895 2.807 3.049 . 0 0 "[ . 1 . 2]" 1
304 1 25 LEU HG 1 26 VAL H 4.000 . 4.750 3.983 3.909 4.093 . 0 0 "[ . 1 . 2]" 1
305 1 25 LEU MD1 1 26 VAL H 5.000 . 6.000 4.961 4.871 5.004 . 0 0 "[ . 1 . 2]" 1
306 1 25 LEU MD1 1 26 VAL MG2 5.000 . 6.000 4.016 3.935 4.105 . 0 0 "[ . 1 . 2]" 1
307 1 25 LEU MD2 1 26 VAL H 5.000 . 6.000 4.335 4.280 4.446 . 0 0 "[ . 1 . 2]" 1
308 1 26 VAL H 1 27 GLN H 5.000 . 6.000 4.435 4.206 4.529 . 0 0 "[ . 1 . 2]" 1
309 1 26 VAL HA 1 27 GLN H 2.500 . 2.800 2.198 2.136 2.288 . 0 0 "[ . 1 . 2]" 1
310 1 26 VAL HA 1 27 GLN HA 5.000 . 6.000 4.377 4.362 4.399 . 0 0 "[ . 1 . 2]" 1
311 1 26 VAL HA 1 27 GLN QB 4.000 . 4.750 4.014 3.915 4.257 . 0 0 "[ . 1 . 2]" 1
312 1 26 VAL HA 1 27 GLN QG 5.000 . 6.000 5.125 3.946 5.368 . 0 0 "[ . 1 . 2]" 1
313 1 26 VAL HB 1 27 GLN H 4.000 . 4.750 3.873 3.591 4.188 . 0 0 "[ . 1 . 2]" 1
314 1 26 VAL MG1 1 27 GLN H 4.000 . 4.750 2.389 2.075 3.026 . 0 0 "[ . 1 . 2]" 1
315 1 26 VAL MG1 1 27 GLN QB 5.000 . 6.000 4.022 3.789 4.404 . 0 0 "[ . 1 . 2]" 1
316 1 26 VAL MG2 1 27 GLN H 5.000 . 6.000 4.126 3.995 4.286 . 0 0 "[ . 1 . 2]" 1
317 1 27 GLN H 1 28 GLY H 4.000 . 4.750 4.124 3.934 4.333 . 0 0 "[ . 1 . 2]" 1
318 1 27 GLN HA 1 28 GLY H 2.500 . 2.800 2.214 2.161 2.273 . 0 0 "[ . 1 . 2]" 1
319 1 27 GLN HA 1 28 GLY QA 4.000 . 4.750 3.959 3.928 3.993 . 0 0 "[ . 1 . 2]" 1
320 1 27 GLN QB 1 28 GLY H 4.000 . 4.750 3.854 3.612 3.944 . 0 0 "[ . 1 . 2]" 1
321 1 27 GLN QG 1 28 GLY H 4.000 . 4.750 3.795 3.389 4.247 . 0 0 "[ . 1 . 2]" 1
322 1 28 GLY H 1 29 THR H 4.000 . 4.750 4.566 4.533 4.606 . 0 0 "[ . 1 . 2]" 1
323 1 28 GLY QA 1 29 THR H 3.000 . 3.500 2.114 2.102 2.144 . 0 0 "[ . 1 . 2]" 1
324 1 28 GLY QA 1 29 THR MG 5.000 . 6.000 4.203 4.151 4.254 . 0 0 "[ . 1 . 2]" 1
325 1 29 THR H 1 30 GLY H 3.000 . 3.500 2.493 2.469 2.504 . 0 0 "[ . 1 . 2]" 1
326 1 29 THR H 1 30 GLY QA 4.000 . 4.750 3.937 3.918 3.953 . 0 0 "[ . 1 . 2]" 1
327 1 29 THR HA 1 30 GLY H 4.000 . 4.750 2.985 2.980 2.991 . 0 0 "[ . 1 . 2]" 1
328 1 29 THR HB 1 30 GLY H 4.000 . 4.750 4.251 4.245 4.258 . 0 0 "[ . 1 . 2]" 1
329 1 29 THR MG 1 30 GLY H 5.000 . 6.000 4.482 4.465 4.495 . 0 0 "[ . 1 . 2]" 1
330 1 30 GLY H 1 31 LYS H 4.000 . 4.750 4.431 4.241 4.506 . 0 0 "[ . 1 . 2]" 1
331 1 30 GLY QA 1 31 LYS H 4.000 . 4.750 2.118 2.087 2.179 . 0 0 "[ . 1 . 2]" 1
332 1 31 LYS HA 1 32 ASN H 4.000 . 4.750 3.530 3.489 3.555 . 0 0 "[ . 1 . 2]" 1
333 1 31 LYS QB 1 32 ASN QD 5.000 . 6.000 2.866 1.972 3.673 . 0 0 "[ . 1 . 2]" 1
334 1 31 LYS QG 1 32 ASN QD 5.000 . 6.000 3.749 1.828 4.765 . 0 0 "[ . 1 . 2]" 1
335 1 31 LYS QE 1 32 ASN QD 4.000 . 4.750 3.022 1.993 3.772 . 0 0 "[ . 1 . 2]" 1
336 1 32 ASN HA 1 33 GLY H 4.000 . 4.750 2.915 2.842 3.041 . 0 0 "[ . 1 . 2]" 1
337 1 32 ASN QB 1 33 GLY H 5.000 . 6.000 3.829 3.710 4.045 . 0 0 "[ . 1 . 2]" 1
338 1 33 GLY H 1 34 ARG H 3.000 . 3.500 2.287 2.043 2.491 . 0 0 "[ . 1 . 2]" 1
339 1 33 GLY H 1 34 ARG QB 4.000 . 4.750 4.056 3.848 4.237 . 0 0 "[ . 1 . 2]" 1
340 1 33 GLY QA 1 34 ARG H 3.000 . 3.500 2.832 2.822 2.876 . 0 0 "[ . 1 . 2]" 1
341 1 34 ARG H 1 35 VAL H 5.000 . 6.000 4.595 4.571 4.610 . 0 0 "[ . 1 . 2]" 1
342 1 34 ARG HA 1 35 VAL H 3.000 . 3.500 2.234 2.195 2.297 . 0 0 "[ . 1 . 2]" 1
343 1 34 ARG QB 1 35 VAL H 4.000 . 4.750 3.556 3.461 3.647 . 0 0 "[ . 1 . 2]" 1
344 1 34 ARG QG 1 35 VAL H 4.000 . 4.750 2.398 2.151 2.671 . 0 0 "[ . 1 . 2]" 1
345 1 35 VAL H 1 36 LEU H 5.000 . 6.000 4.551 4.501 4.578 . 0 0 "[ . 1 . 2]" 1
346 1 35 VAL H 1 36 LEU QD 5.000 . 6.000 4.460 4.457 4.463 . 0 0 "[ . 1 . 2]" 1
347 1 35 VAL HA 1 36 LEU H 3.000 . 3.500 2.149 2.125 2.165 . 0 0 "[ . 1 . 2]" 1
348 1 35 VAL HB 1 36 LEU H 5.000 . 6.000 4.192 4.133 4.321 . 0 0 "[ . 1 . 2]" 1
349 1 35 VAL MG1 1 36 LEU H 4.000 . 4.750 2.300 2.167 2.467 . 0 0 "[ . 1 . 2]" 1
350 1 35 VAL MG2 1 36 LEU H 5.000 . 6.000 3.673 3.600 3.746 . 0 0 "[ . 1 . 2]" 1
351 1 36 LEU H 1 37 LYS H 5.000 . 6.000 4.535 4.517 4.553 . 0 0 "[ . 1 . 2]" 1
352 1 36 LEU HA 1 37 LYS H 3.000 . 3.500 2.429 2.412 2.453 . 0 0 "[ . 1 . 2]" 1
353 1 36 LEU HA 1 37 LYS HA 5.000 . 6.000 4.308 4.305 4.313 . 0 0 "[ . 1 . 2]" 1
354 1 36 LEU HB3 1 37 LYS H 3.000 . 3.500 2.481 2.393 2.539 . 0 0 "[ . 1 . 2]" 1
355 1 36 LEU HB2 1 37 LYS H 4.000 . 4.750 3.698 3.648 3.739 . 0 0 "[ . 1 . 2]" 1
356 1 36 LEU HG 1 37 LYS H 5.000 . 6.000 4.998 4.932 5.047 . 0 0 "[ . 1 . 2]" 1
357 1 36 LEU QD 1 37 LYS H 4.000 . 4.750 3.200 3.123 3.310 . 0 0 "[ . 1 . 2]" 1
358 1 37 LYS H 1 38 GLU H 3.000 . 3.500 2.661 2.639 2.674 . 0 0 "[ . 1 . 2]" 1
359 1 37 LYS HA 1 38 GLU H 4.000 . 4.750 3.490 3.482 3.500 . 0 0 "[ . 1 . 2]" 1
360 1 37 LYS HB3 1 38 GLU H 3.000 . 3.500 2.818 2.758 2.860 . 0 0 "[ . 1 . 2]" 1
361 1 37 LYS HB2 1 38 GLU H 4.000 . 4.750 3.897 3.823 3.968 . 0 0 "[ . 1 . 2]" 1
362 1 37 LYS QG 1 38 GLU H 4.000 . 4.750 4.095 3.822 4.176 . 0 0 "[ . 1 . 2]" 1
363 1 38 GLU H 1 39 ASP H 3.000 . 3.500 2.533 2.518 2.552 . 0 0 "[ . 1 . 2]" 1
364 1 38 GLU HA 1 39 ASP H 4.000 . 4.750 3.511 3.505 3.514 . 0 0 "[ . 1 . 2]" 1
365 1 38 GLU QB 1 39 ASP H 3.000 . 3.500 2.675 2.612 3.100 . 0 0 "[ . 1 . 2]" 1
366 1 38 GLU QG 1 39 ASP H 4.000 . 4.750 3.822 2.658 4.091 . 0 0 "[ . 1 . 2]" 1
367 1 39 ASP HA 1 40 ILE H 3.000 . 3.500 3.531 3.529 3.534 0.034 9 0 "[ . 1 . 2]" 1
368 1 39 ASP HB3 1 40 ILE H 3.000 . 3.500 3.114 3.069 3.176 . 0 0 "[ . 1 . 2]" 1
369 1 39 ASP HB2 1 40 ILE H 3.000 . 3.500 2.584 2.559 2.619 . 0 0 "[ . 1 . 2]" 1
370 1 39 ASP HB2 1 40 ILE MD 5.000 . 6.000 3.599 3.488 3.783 . 0 0 "[ . 1 . 2]" 1
371 1 40 ILE H 1 41 ASP H 3.000 . 3.500 2.903 2.886 2.913 . 0 0 "[ . 1 . 2]" 1
372 1 40 ILE H 1 41 ASP HA 5.000 . 6.000 5.447 5.438 5.454 . 0 0 "[ . 1 . 2]" 1
373 1 40 ILE HA 1 41 ASP H 4.000 . 4.750 3.564 3.562 3.566 . 0 0 "[ . 1 . 2]" 1
374 1 40 ILE HB 1 41 ASP H 3.000 . 3.500 2.210 2.196 2.237 . 0 0 "[ . 1 . 2]" 1
375 1 40 ILE MG 1 41 ASP H 4.000 . 4.750 3.317 3.288 3.343 . 0 0 "[ . 1 . 2]" 1
376 1 40 ILE MD 1 41 ASP H 5.000 . 6.000 4.469 4.431 4.534 . 0 0 "[ . 1 . 2]" 1
377 1 40 ILE QG 1 41 ASP H 4.000 . 4.750 3.679 3.649 3.719 . 0 0 "[ . 1 . 2]" 1
378 1 41 ASP H 1 42 ALA H 3.000 . 3.500 2.725 2.690 2.753 . 0 0 "[ . 1 . 2]" 1
379 1 41 ASP HA 1 42 ALA H 4.000 . 4.750 3.522 3.508 3.533 . 0 0 "[ . 1 . 2]" 1
380 1 41 ASP QB 1 42 ALA H 3.000 . 3.500 2.641 2.586 2.738 . 0 0 "[ . 1 . 2]" 1
381 1 41 ASP QB 1 42 ALA MB 5.000 . 6.000 3.868 3.788 3.947 . 0 0 "[ . 1 . 2]" 1
382 1 42 ALA H 1 43 TRP H 3.000 . 3.500 2.651 2.613 2.679 . 0 0 "[ . 1 . 2]" 1
383 1 42 ALA H 1 43 TRP HB3 5.000 . 6.000 5.042 4.992 5.075 . 0 0 "[ . 1 . 2]" 1
384 1 42 ALA HA 1 43 TRP H 4.000 . 4.750 3.524 3.518 3.532 . 0 0 "[ . 1 . 2]" 1
385 1 42 ALA MB 1 43 TRP H 4.000 . 4.750 2.643 2.581 2.739 . 0 0 "[ . 1 . 2]" 1
386 1 42 ALA MB 1 43 TRP HB3 5.000 . 6.000 4.895 4.849 4.952 . 0 0 "[ . 1 . 2]" 1
387 1 43 TRP H 1 44 LEU H 3.000 . 3.500 2.835 2.802 2.856 . 0 0 "[ . 1 . 2]" 1
388 1 43 TRP H 1 44 LEU HA 5.000 . 6.000 5.398 5.380 5.415 . 0 0 "[ . 1 . 2]" 1
389 1 43 TRP H 1 44 LEU HG 5.000 . 6.000 4.792 4.660 4.844 . 0 0 "[ . 1 . 2]" 1
390 1 43 TRP H 1 44 LEU QB 5.000 . 6.000 4.847 4.803 4.871 . 0 0 "[ . 1 . 2]" 1
391 1 43 TRP HA 1 44 LEU H 4.000 . 4.750 3.554 3.551 3.557 . 0 0 "[ . 1 . 2]" 1
392 1 43 TRP HB3 1 44 LEU H 3.000 . 3.500 2.173 2.162 2.219 . 0 0 "[ . 1 . 2]" 1
393 1 43 TRP HB3 1 44 LEU HG 5.000 . 6.000 2.889 2.784 2.932 . 0 0 "[ . 1 . 2]" 1
394 1 43 TRP HB3 1 44 LEU MD2 5.000 . 6.000 4.385 4.233 4.433 . 0 0 "[ . 1 . 2]" 1
395 1 43 TRP HB2 1 44 LEU H 3.000 . 3.500 3.529 3.521 3.543 0.043 2 0 "[ . 1 . 2]" 1
396 1 43 TRP HD1 1 44 LEU H 4.000 . 4.750 3.920 3.837 4.021 . 0 0 "[ . 1 . 2]" 1
397 1 43 TRP HD1 1 44 LEU HA 4.000 . 4.750 4.124 4.000 4.218 . 0 0 "[ . 1 . 2]" 1
398 1 43 TRP HD1 1 44 LEU HG 4.000 . 4.750 3.123 3.030 3.213 . 0 0 "[ . 1 . 2]" 1
399 1 43 TRP HD1 1 44 LEU MD1 5.000 . 6.000 4.288 4.192 4.415 . 0 0 "[ . 1 . 2]" 1
400 1 43 TRP HD1 1 44 LEU MD2 5.000 . 6.000 3.744 3.513 3.840 . 0 0 "[ . 1 . 2]" 1
401 1 44 LEU H 1 45 ALA H 3.000 . 3.500 2.600 2.541 2.646 . 0 0 "[ . 1 . 2]" 1
402 1 44 LEU H 1 45 ALA MB 5.000 . 6.000 4.284 4.221 4.373 . 0 0 "[ . 1 . 2]" 1
403 1 44 LEU HA 1 45 ALA H 3.000 . 3.500 3.491 3.464 3.509 0.009 5 0 "[ . 1 . 2]" 1
404 1 44 LEU MD2 1 45 ALA H 5.000 . 6.000 5.001 4.969 5.025 . 0 0 "[ . 1 . 2]" 1
405 1 44 LEU QB 1 45 ALA H 3.000 . 3.500 2.758 2.675 2.856 . 0 0 "[ . 1 . 2]" 1
406 1 44 LEU QB 1 45 ALA MB 5.000 . 6.000 3.780 3.555 3.992 . 0 0 "[ . 1 . 2]" 1
407 1 45 ALA HA 1 46 GLY H 3.000 . 3.500 3.330 2.926 3.470 . 0 0 "[ . 1 . 2]" 1
408 1 46 GLY H 1 47 GLY H 3.000 . 3.500 2.613 1.982 3.502 0.002 4 0 "[ . 1 . 2]" 1
409 1 46 GLY QA 1 47 GLY H 4.000 . 4.750 2.651 2.321 2.822 . 0 0 "[ . 1 . 2]" 1
410 1 6 VAL MG1 1 8 ALA H 5.000 . 6.000 3.842 3.404 4.812 . 0 0 "[ . 1 . 2]" 1
411 1 6 VAL MG1 1 8 ALA MB 5.000 . 6.000 2.974 2.595 3.664 . 0 0 "[ . 1 . 2]" 1
412 1 12 VAL H 1 14 LYS H 5.000 . 6.000 3.902 3.842 3.978 . 0 0 "[ . 1 . 2]" 1
413 1 12 VAL HA 1 14 LYS H 4.000 . 4.750 3.910 3.863 3.947 . 0 0 "[ . 1 . 2]" 1
414 1 12 VAL MG2 1 14 LYS H 5.000 . 6.000 5.047 5.038 5.057 . 0 0 "[ . 1 . 2]" 1
415 1 14 LYS H 1 16 ALA H 4.000 . 4.750 4.105 4.066 4.138 . 0 0 "[ . 1 . 2]" 1
416 1 15 TYR HA 1 17 ARG H 5.000 . 6.000 4.589 4.572 4.617 . 0 0 "[ . 1 . 2]" 1
417 1 17 ARG H 1 19 LYS QB 5.000 . 6.000 5.099 5.028 5.152 . 0 0 "[ . 1 . 2]" 1
418 1 18 GLU H 1 20 GLY H 4.000 . 4.750 4.104 3.817 4.163 . 0 0 "[ . 1 . 2]" 1
419 1 18 GLU HA 1 20 GLY H 3.000 . 3.500 3.535 3.523 3.545 0.045 1 0 "[ . 1 . 2]" 1
420 1 19 LYS H 1 21 VAL H 4.000 . 4.750 3.439 3.403 3.476 . 0 0 "[ . 1 . 2]" 1
421 1 19 LYS QB 1 21 VAL H 4.000 . 4.750 3.096 2.873 3.141 . 0 0 "[ . 1 . 2]" 1
422 1 21 VAL MG1 1 23 ILE H 4.000 . 4.750 3.964 3.959 3.972 . 0 0 "[ . 1 . 2]" 1
423 1 21 VAL MG1 1 23 ILE HA 4.000 . 4.750 3.721 3.696 3.739 . 0 0 "[ . 1 . 2]" 1
424 1 22 ASP H 1 24 ARG H 4.000 . 4.750 4.786 4.776 4.801 0.051 2 0 "[ . 1 . 2]" 1
425 1 22 ASP HA 1 24 ARG H 4.000 . 4.750 3.727 3.696 3.804 . 0 0 "[ . 1 . 2]" 1
426 1 23 ILE H 1 25 LEU H 5.000 . 6.000 4.417 4.393 4.457 . 0 0 "[ . 1 . 2]" 1
427 1 23 ILE HA 1 25 LEU H 4.000 . 4.750 3.987 3.937 4.085 . 0 0 "[ . 1 . 2]" 1
428 1 23 ILE MG 1 25 LEU H 5.000 . 6.000 4.891 4.847 4.985 . 0 0 "[ . 1 . 2]" 1
429 1 24 ARG H 1 26 VAL H 5.000 . 6.000 3.799 3.772 3.837 . 0 0 "[ . 1 . 2]" 1
430 1 24 ARG HA 1 26 VAL H 5.000 . 6.000 3.768 3.662 3.848 . 0 0 "[ . 1 . 2]" 1
431 1 26 VAL MG1 1 28 GLY H 5.000 . 6.000 3.965 3.640 4.404 . 0 0 "[ . 1 . 2]" 1
432 1 26 VAL MG1 1 28 GLY QA 5.000 . 6.000 3.499 3.336 3.653 . 0 0 "[ . 1 . 2]" 1
433 1 27 GLN QB 1 29 THR MG 5.000 . 6.000 3.821 3.415 4.452 . 0 0 "[ . 1 . 2]" 1
434 1 27 GLN QG 1 29 THR MG 5.000 . 6.000 4.075 2.583 4.456 . 0 0 "[ . 1 . 2]" 1
435 1 28 GLY QA 1 30 GLY H 4.000 . 4.750 3.216 3.168 3.238 . 0 0 "[ . 1 . 2]" 1
436 1 28 GLY QA 1 30 GLY QA 5.000 . 6.000 4.651 4.557 4.724 . 0 0 "[ . 1 . 2]" 1
437 1 35 VAL MG1 1 37 LYS H 5.000 . 6.000 4.591 4.507 4.710 . 0 0 "[ . 1 . 2]" 1
438 1 36 LEU H 1 38 GLU H 5.000 . 6.000 4.701 4.639 4.789 . 0 0 "[ . 1 . 2]" 1
439 1 36 LEU HA 1 38 GLU H 5.000 . 6.000 4.148 4.103 4.217 . 0 0 "[ . 1 . 2]" 1
440 1 36 LEU HB3 1 38 GLU H 3.000 . 3.500 2.605 2.574 2.650 . 0 0 "[ . 1 . 2]" 1
441 1 36 LEU HB3 1 38 GLU QG 4.000 . 4.750 3.476 2.924 4.239 . 0 0 "[ . 1 . 2]" 1
442 1 36 LEU HB2 1 38 GLU H 3.000 . 3.500 3.116 3.055 3.171 . 0 0 "[ . 1 . 2]" 1
443 1 36 LEU HB2 1 38 GLU QG 4.000 . 4.750 3.868 3.289 4.210 . 0 0 "[ . 1 . 2]" 1
444 1 36 LEU HG 1 38 GLU H 5.000 . 6.000 5.276 5.237 5.325 . 0 0 "[ . 1 . 2]" 1
445 1 36 LEU QD 1 38 GLU H 5.000 . 6.000 3.833 3.787 3.865 . 0 0 "[ . 1 . 2]" 1
446 1 36 LEU QD 1 38 GLU QB 5.000 . 6.000 3.558 3.467 3.718 . 0 0 "[ . 1 . 2]" 1
447 1 36 LEU QD 1 38 GLU QG 5.000 . 6.000 3.543 3.236 3.923 . 0 0 "[ . 1 . 2]" 1
448 1 37 LYS H 1 39 ASP H 5.000 . 6.000 4.101 4.054 4.136 . 0 0 "[ . 1 . 2]" 1
449 1 37 LYS HA 1 39 ASP H 4.000 . 4.750 4.118 4.076 4.144 . 0 0 "[ . 1 . 2]" 1
450 1 37 LYS HA 1 39 ASP HB3 5.000 . 6.000 6.025 6.018 6.031 0.031 2 0 "[ . 1 . 2]" 1
451 1 38 GLU H 1 40 ILE H 4.000 . 4.750 4.199 4.177 4.233 . 0 0 "[ . 1 . 2]" 1
452 1 40 ILE H 1 42 ALA H 4.000 . 4.750 4.061 3.993 4.114 . 0 0 "[ . 1 . 2]" 1
453 1 40 ILE HA 1 42 ALA H 4.000 . 4.750 4.341 4.250 4.418 . 0 0 "[ . 1 . 2]" 1
454 1 41 ASP H 1 43 TRP H 4.000 . 4.750 4.208 4.171 4.258 . 0 0 "[ . 1 . 2]" 1
455 1 41 ASP HA 1 43 TRP H 5.000 . 6.000 4.253 4.195 4.329 . 0 0 "[ . 1 . 2]" 1
456 1 42 ALA H 1 44 LEU H 4.000 . 4.750 4.516 4.450 4.549 . 0 0 "[ . 1 . 2]" 1
457 1 42 ALA HA 1 44 LEU H 5.000 . 6.000 4.794 4.741 4.814 . 0 0 "[ . 1 . 2]" 1
458 1 43 TRP H 1 45 ALA H 4.000 . 4.750 3.834 3.775 3.889 . 0 0 "[ . 1 . 2]" 1
459 1 43 TRP H 1 45 ALA MB 5.000 . 6.000 4.532 4.342 4.851 . 0 0 "[ . 1 . 2]" 1
460 1 43 TRP HA 1 45 ALA H 4.000 . 4.750 4.308 4.115 4.432 . 0 0 "[ . 1 . 2]" 1
461 1 43 TRP HB3 1 45 ALA H 5.000 . 6.000 4.546 4.498 4.593 . 0 0 "[ . 1 . 2]" 1
462 1 45 ALA HA 1 47 GLY H 5.000 . 6.000 4.905 3.451 5.903 . 0 0 "[ . 1 . 2]" 1
463 1 45 ALA MB 1 47 GLY H 5.000 . 6.000 4.213 2.712 5.006 . 0 0 "[ . 1 . 2]" 1
464 1 9 MET H 1 12 VAL H 5.000 . 6.000 3.968 3.844 4.124 . 0 0 "[ . 1 . 2]" 1
465 1 9 MET H 1 12 VAL HB 4.000 . 4.750 2.599 2.362 2.787 . 0 0 "[ . 1 . 2]" 1
466 1 9 MET H 1 12 VAL MG2 5.000 . 6.000 2.490 2.272 2.759 . 0 0 "[ . 1 . 2]" 1
467 1 9 MET HB3 1 12 VAL H 5.000 . 6.000 2.597 2.519 2.700 . 0 0 "[ . 1 . 2]" 1
468 1 9 MET HB3 1 12 VAL MG1 5.000 . 6.000 5.004 4.998 5.013 . 0 0 "[ . 1 . 2]" 1
469 1 9 MET HB3 1 12 VAL MG2 5.000 . 6.000 2.593 2.471 2.738 . 0 0 "[ . 1 . 2]" 1
470 1 9 MET HB2 1 12 VAL H 4.000 . 4.750 3.042 2.883 3.173 . 0 0 "[ . 1 . 2]" 1
471 1 9 MET HB2 1 12 VAL MG2 4.000 . 4.750 1.837 1.817 1.865 . 0 0 "[ . 1 . 2]" 1
472 1 9 MET QG 1 12 VAL MG2 5.000 . 6.000 3.347 3.041 3.603 . 0 0 "[ . 1 . 2]" 1
473 1 10 PRO HA 1 13 ARG H 4.000 . 4.750 4.118 4.016 4.193 . 0 0 "[ . 1 . 2]" 1
474 1 10 PRO HA 1 13 ARG QD 4.000 . 4.750 3.212 2.253 4.166 . 0 0 "[ . 1 . 2]" 1
475 1 11 SER HA 1 14 LYS H 4.000 . 4.750 3.574 3.532 3.611 . 0 0 "[ . 1 . 2]" 1
476 1 12 VAL HA 1 15 TYR H 3.000 . 3.500 3.016 2.970 3.051 . 0 0 "[ . 1 . 2]" 1
477 1 12 VAL HA 1 15 TYR HB3 3.000 . 3.500 2.387 2.309 2.480 . 0 0 "[ . 1 . 2]" 1
478 1 12 VAL HA 1 15 TYR HB2 3.000 . 3.500 3.210 3.115 3.323 . 0 0 "[ . 1 . 2]" 1
479 1 12 VAL MG1 1 15 TYR HB2 5.000 . 6.000 4.530 4.383 4.656 . 0 0 "[ . 1 . 2]" 1
480 1 12 VAL MG1 1 15 TYR QD 4.000 . 4.750 3.290 3.035 3.498 . 0 0 "[ . 1 . 2]" 1
481 1 12 VAL MG2 1 15 TYR HB3 5.000 . 6.000 4.163 4.108 4.201 . 0 0 "[ . 1 . 2]" 1
482 1 12 VAL MG2 1 15 TYR QD 5.000 . 6.000 4.436 4.364 4.460 . 0 0 "[ . 1 . 2]" 1
483 1 13 ARG HA 1 16 ALA H 4.000 . 4.750 3.723 3.686 3.786 . 0 0 "[ . 1 . 2]" 1
484 1 13 ARG HA 1 16 ALA MB 4.000 . 4.750 3.163 3.081 3.225 . 0 0 "[ . 1 . 2]" 1
485 1 14 LYS H 1 17 ARG QB 4.000 . 4.750 4.289 4.274 4.307 . 0 0 "[ . 1 . 2]" 1
486 1 14 LYS HA 1 17 ARG H 4.000 . 4.750 3.622 3.596 3.658 . 0 0 "[ . 1 . 2]" 1
487 1 14 LYS HA 1 17 ARG QB 3.000 . 3.500 2.239 2.193 2.282 . 0 0 "[ . 1 . 2]" 1
488 1 14 LYS HA 1 17 ARG QD 5.000 . 6.000 4.297 2.675 5.047 . 0 0 "[ . 1 . 2]" 1
489 1 15 TYR HA 1 18 GLU H 4.000 . 4.750 3.454 3.431 3.476 . 0 0 "[ . 1 . 2]" 1
490 1 15 TYR HA 1 18 GLU HB3 5.000 . 6.000 4.197 4.148 4.228 . 0 0 "[ . 1 . 2]" 1
491 1 15 TYR HA 1 18 GLU HB2 4.000 . 4.750 2.613 2.576 2.638 . 0 0 "[ . 1 . 2]" 1
492 1 15 TYR QD 1 18 GLU HB3 5.000 . 6.000 4.905 4.790 4.951 . 0 0 "[ . 1 . 2]" 1
493 1 15 TYR QD 1 18 GLU HB2 4.000 . 4.750 3.935 3.839 3.968 . 0 0 "[ . 1 . 2]" 1
494 1 15 TYR QD 1 18 GLU QG 5.000 . 6.000 4.766 4.760 4.772 . 0 0 "[ . 1 . 2]" 1
495 1 15 TYR QE 1 18 GLU HB2 5.000 . 6.000 5.348 5.310 5.362 . 0 0 "[ . 1 . 2]" 1
496 1 16 ALA HA 1 19 LYS QB 3.000 . 3.500 2.327 2.254 2.420 . 0 0 "[ . 1 . 2]" 1
497 1 17 ARG HA 1 20 GLY H 4.000 . 4.750 4.354 4.001 4.459 . 0 0 "[ . 1 . 2]" 1
498 1 18 GLU H 1 21 VAL H 4.000 . 4.750 4.658 4.634 4.753 0.003 1 0 "[ . 1 . 2]" 1
499 1 22 ASP H 1 25 LEU MD1 5.000 . 6.000 2.262 1.978 2.513 . 0 0 "[ . 1 . 2]" 1
500 1 22 ASP HB3 1 25 LEU H 4.000 . 4.750 2.891 2.814 2.991 . 0 0 "[ . 1 . 2]" 1
501 1 22 ASP HB3 1 25 LEU HG 3.000 . 3.500 1.949 1.929 1.980 . 0 0 "[ . 1 . 2]" 1
502 1 22 ASP HB3 1 25 LEU MD1 4.000 . 4.750 2.765 2.628 2.852 . 0 0 "[ . 1 . 2]" 1
503 1 22 ASP HB2 1 25 LEU HG 4.000 . 4.750 3.506 3.412 3.618 . 0 0 "[ . 1 . 2]" 1
504 1 22 ASP HB2 1 25 LEU MD1 4.000 . 4.750 3.312 3.110 3.496 . 0 0 "[ . 1 . 2]" 1
505 1 23 ILE H 1 26 VAL MG2 5.000 . 6.000 4.001 3.925 4.079 . 0 0 "[ . 1 . 2]" 1
506 1 23 ILE HA 1 26 VAL H 4.000 . 4.750 3.151 3.050 3.237 . 0 0 "[ . 1 . 2]" 1
507 1 23 ILE HA 1 26 VAL HB 3.000 . 3.500 2.465 2.424 2.519 . 0 0 "[ . 1 . 2]" 1
508 1 23 ILE HA 1 26 VAL MG1 4.000 . 4.750 3.965 3.958 3.972 . 0 0 "[ . 1 . 2]" 1
509 1 23 ILE HA 1 26 VAL MG2 4.000 . 4.750 2.311 2.175 2.420 . 0 0 "[ . 1 . 2]" 1
510 1 23 ILE HB 1 26 VAL MG2 5.000 . 6.000 4.964 4.883 5.003 . 0 0 "[ . 1 . 2]" 1
511 1 23 ILE MG 1 26 VAL H 5.000 . 6.000 3.794 3.700 3.909 . 0 0 "[ . 1 . 2]" 1
512 1 23 ILE MG 1 26 VAL HB 5.000 . 6.000 2.997 2.910 3.163 . 0 0 "[ . 1 . 2]" 1
513 1 23 ILE MD 1 26 VAL MG2 5.000 . 6.000 3.158 3.004 3.319 . 0 0 "[ . 1 . 2]" 1
514 1 23 ILE QG 1 26 VAL MG2 5.000 . 6.000 4.456 4.448 4.459 . 0 0 "[ . 1 . 2]" 1
515 1 31 LYS H 1 34 ARG QB 5.000 . 6.000 4.911 4.736 5.094 . 0 0 "[ . 1 . 2]" 1
516 1 31 LYS QB 1 34 ARG H 5.000 . 6.000 3.841 3.442 4.224 . 0 0 "[ . 1 . 2]" 1
517 1 36 LEU H 1 39 ASP H 4.000 . 4.750 3.219 3.156 3.282 . 0 0 "[ . 1 . 2]" 1
518 1 36 LEU H 1 39 ASP HB3 4.000 . 4.750 3.360 3.329 3.470 . 0 0 "[ . 1 . 2]" 1
519 1 36 LEU H 1 39 ASP HB2 4.000 . 4.750 1.978 1.926 2.092 . 0 0 "[ . 1 . 2]" 1
520 1 36 LEU HB3 1 39 ASP H 3.000 . 3.500 3.552 3.540 3.560 0.060 1 0 "[ . 1 . 2]" 1
521 1 36 LEU HB2 1 39 ASP H 3.000 . 3.500 2.657 2.568 2.704 . 0 0 "[ . 1 . 2]" 1
522 1 37 LYS HA 1 40 ILE H 3.000 . 3.500 3.285 3.236 3.324 . 0 0 "[ . 1 . 2]" 1
523 1 37 LYS HA 1 40 ILE HB 4.000 . 4.750 2.984 2.904 3.034 . 0 0 "[ . 1 . 2]" 1
524 1 37 LYS HA 1 40 ILE MD 4.000 . 4.750 3.978 3.961 3.990 . 0 0 "[ . 1 . 2]" 1
525 1 37 LYS HA 1 40 ILE QG 3.000 . 3.500 2.307 2.287 2.329 . 0 0 "[ . 1 . 2]" 1
526 1 38 GLU HA 1 41 ASP H 4.000 . 4.750 3.611 3.579 3.644 . 0 0 "[ . 1 . 2]" 1
527 1 38 GLU HA 1 41 ASP QB 3.000 . 3.500 2.905 2.818 2.984 . 0 0 "[ . 1 . 2]" 1
528 1 39 ASP HA 1 42 ALA H 4.000 . 4.750 3.480 3.428 3.519 . 0 0 "[ . 1 . 2]" 1
529 1 39 ASP HA 1 42 ALA MB 4.000 . 4.750 2.484 2.299 2.634 . 0 0 "[ . 1 . 2]" 1
530 1 40 ILE H 1 43 TRP H 4.000 . 4.750 4.776 4.769 4.784 0.034 7 0 "[ . 1 . 2]" 1
531 1 40 ILE HA 1 43 TRP H 4.000 . 4.750 3.493 3.457 3.518 . 0 0 "[ . 1 . 2]" 1
532 1 40 ILE HA 1 43 TRP HB3 3.000 . 3.500 3.381 3.320 3.452 . 0 0 "[ . 1 . 2]" 1
533 1 40 ILE HA 1 43 TRP HB2 3.000 . 3.500 3.205 3.162 3.272 . 0 0 "[ . 1 . 2]" 1
534 1 40 ILE HA 1 43 TRP HE3 5.000 . 6.000 5.988 5.940 6.007 0.007 2 0 "[ . 1 . 2]" 1
535 1 40 ILE MG 1 43 TRP HB3 5.000 . 6.000 3.796 3.762 3.849 . 0 0 "[ . 1 . 2]" 1
536 1 40 ILE MD 1 43 TRP HB3 5.000 . 6.000 4.648 4.581 4.717 . 0 0 "[ . 1 . 2]" 1
537 1 41 ASP H 1 44 LEU MD1 5.000 . 6.000 3.955 3.924 4.109 . 0 0 "[ . 1 . 2]" 1
538 1 41 ASP HA 1 44 LEU H 4.000 . 4.750 3.618 3.561 3.708 . 0 0 "[ . 1 . 2]" 1
539 1 41 ASP HA 1 44 LEU HG 5.000 . 6.000 4.559 4.380 4.645 . 0 0 "[ . 1 . 2]" 1
540 1 41 ASP HA 1 44 LEU QB 4.000 . 4.750 3.179 3.133 3.259 . 0 0 "[ . 1 . 2]" 1
541 1 43 TRP HA 1 46 GLY H 4.000 . 4.750 3.779 3.487 4.460 . 0 0 "[ . 1 . 2]" 1
542 1 8 ALA MB 1 12 VAL H 5.000 . 6.000 4.313 4.033 4.560 . 0 0 "[ . 1 . 2]" 1
543 1 8 ALA MB 1 12 VAL HA 5.000 . 6.000 4.707 4.424 4.999 . 0 0 "[ . 1 . 2]" 1
544 1 8 ALA MB 1 12 VAL HB 4.000 . 4.750 2.359 2.008 2.796 . 0 0 "[ . 1 . 2]" 1
545 1 8 ALA MB 1 12 VAL MG1 4.000 . 4.750 2.260 1.915 2.845 . 0 0 "[ . 1 . 2]" 1
546 1 13 ARG HA 1 17 ARG H 5.000 . 6.000 3.670 3.627 3.728 . 0 0 "[ . 1 . 2]" 1
547 1 14 LYS HA 1 18 GLU H 4.000 . 4.750 4.089 4.041 4.137 . 0 0 "[ . 1 . 2]" 1
548 1 14 LYS QG 1 18 GLU HB2 4.000 . 4.750 4.085 4.012 4.245 . 0 0 "[ . 1 . 2]" 1
549 1 15 TYR QD 1 19 LYS QB 5.000 . 6.000 4.332 4.300 4.396 . 0 0 "[ . 1 . 2]" 1
550 1 15 TYR QD 1 19 LYS QG 4.000 . 4.750 3.091 2.857 3.206 . 0 0 "[ . 1 . 2]" 1
551 1 15 TYR QD 1 19 LYS QD 5.000 . 6.000 3.983 2.761 4.430 . 0 0 "[ . 1 . 2]" 1
552 1 15 TYR QD 1 19 LYS QE 5.000 . 6.000 3.366 2.659 4.801 . 0 0 "[ . 1 . 2]" 1
553 1 15 TYR QE 1 19 LYS QB 5.000 . 6.000 4.141 4.075 4.203 . 0 0 "[ . 1 . 2]" 1
554 1 15 TYR QE 1 19 LYS QG 3.000 . 3.500 2.767 2.618 2.798 . 0 0 "[ . 1 . 2]" 1
555 1 15 TYR QE 1 19 LYS QD 4.000 . 4.750 3.386 2.354 3.786 . 0 0 "[ . 1 . 2]" 1
556 1 15 TYR QE 1 19 LYS QE 4.000 . 4.750 2.393 1.851 3.787 . 0 0 "[ . 1 . 2]" 1
557 1 16 ALA HA 1 20 GLY H 5.000 . 6.000 4.937 4.587 5.031 . 0 0 "[ . 1 . 2]" 1
558 1 17 ARG HA 1 21 VAL H 4.000 . 4.750 3.991 3.952 4.232 . 0 0 "[ . 1 . 2]" 1
559 1 21 VAL HA 1 25 LEU HG 4.000 . 4.750 4.770 4.762 4.778 0.028 10 0 "[ . 1 . 2]" 1
560 1 22 ASP H 1 26 VAL MG2 5.000 . 6.000 3.676 3.548 3.781 . 0 0 "[ . 1 . 2]" 1
561 1 30 GLY H 1 34 ARG H 5.000 . 6.000 2.577 2.361 2.818 . 0 0 "[ . 1 . 2]" 1
562 1 30 GLY H 1 34 ARG QB 4.000 . 4.750 3.474 3.189 3.754 . 0 0 "[ . 1 . 2]" 1
563 1 30 GLY H 1 34 ARG QG 5.000 . 6.000 4.709 4.423 4.967 . 0 0 "[ . 1 . 2]" 1
564 1 30 GLY QA 1 34 ARG QB 4.000 . 4.750 2.992 2.338 3.546 . 0 0 "[ . 1 . 2]" 1
565 1 30 GLY QA 1 34 ARG QD 5.000 . 6.000 4.606 3.848 4.770 . 0 0 "[ . 1 . 2]" 1
566 1 35 VAL MG1 1 39 ASP HB3 4.000 . 4.750 2.333 2.133 2.480 . 0 0 "[ . 1 . 2]" 1
567 1 35 VAL MG1 1 39 ASP HB2 4.000 . 4.750 1.936 1.883 2.000 . 0 0 "[ . 1 . 2]" 1
568 1 35 VAL MG2 1 39 ASP HB3 5.000 . 6.000 3.147 2.974 3.263 . 0 0 "[ . 1 . 2]" 1
569 1 37 LYS HA 1 41 ASP H 4.000 . 4.750 4.102 4.052 4.187 . 0 0 "[ . 1 . 2]" 1
570 1 38 GLU HA 1 42 ALA H 4.000 . 4.750 4.138 4.071 4.211 . 0 0 "[ . 1 . 2]" 1
571 1 39 ASP HA 1 43 TRP H 5.000 . 6.000 4.362 4.299 4.405 . 0 0 "[ . 1 . 2]" 1
572 1 40 ILE HA 1 44 LEU H 4.000 . 4.750 4.526 4.496 4.548 . 0 0 "[ . 1 . 2]" 1
573 1 40 ILE MG 1 44 LEU QB 5.000 . 6.000 4.459 4.455 4.464 . 0 0 "[ . 1 . 2]" 1
574 1 41 ASP HA 1 45 ALA H 5.000 . 6.000 4.022 3.894 4.299 . 0 0 "[ . 1 . 2]" 1
575 1 43 TRP HA 1 47 GLY H 5.000 . 6.000 4.100 2.730 6.000 0.000 9 0 "[ . 1 . 2]" 1
576 1 6 VAL MG1 1 23 ILE QG 4.000 . 4.750 2.575 2.159 3.534 . 0 0 "[ . 1 . 2]" 1
577 1 6 VAL MG2 1 23 ILE H 4.000 . 4.750 3.960 3.920 3.973 . 0 0 "[ . 1 . 2]" 1
578 1 6 VAL MG1 1 24 ARG HA 5.000 . 6.000 4.087 2.477 4.695 . 0 0 "[ . 1 . 2]" 1
579 1 6 VAL MG2 1 24 ARG HA 4.000 . 4.750 3.446 2.969 3.842 . 0 0 "[ . 1 . 2]" 1
580 1 6 VAL MG1 1 35 VAL H 5.000 . 6.000 4.959 4.644 5.028 . 0 0 "[ . 1 . 2]" 1
581 1 6 VAL MG1 1 35 VAL MG2 5.000 . 6.000 4.039 3.469 4.182 . 0 0 "[ . 1 . 2]" 1
582 1 7 ILE MG 1 32 ASN QB 5.000 . 6.000 3.817 3.353 4.454 . 0 0 "[ . 1 . 2]" 1
583 1 7 ILE MG 1 33 GLY H 5.000 . 6.000 4.685 4.349 4.957 . 0 0 "[ . 1 . 2]" 1
584 1 7 ILE HB 1 34 ARG H 5.000 . 6.000 4.993 4.730 5.313 . 0 0 "[ . 1 . 2]" 1
585 1 7 ILE HB 1 34 ARG HA 3.000 . 3.500 2.624 2.314 2.798 . 0 0 "[ . 1 . 2]" 1
586 1 7 ILE MG 1 34 ARG QD 4.000 . 4.750 3.188 2.009 3.534 . 0 0 "[ . 1 . 2]" 1
587 1 7 ILE QG 1 34 ARG HA 4.000 . 4.750 4.243 4.230 4.276 . 0 0 "[ . 1 . 2]" 1
588 1 7 ILE H 1 35 VAL H 5.000 . 6.000 4.741 4.475 5.319 . 0 0 "[ . 1 . 2]" 1
589 1 7 ILE H 1 35 VAL MG2 5.000 . 6.000 4.303 3.925 5.001 . 0 0 "[ . 1 . 2]" 1
590 1 7 ILE HB 1 35 VAL H 4.000 . 4.750 3.683 3.554 3.897 . 0 0 "[ . 1 . 2]" 1
591 1 8 ALA MB 1 13 ARG H 5.000 . 6.000 2.980 2.650 3.212 . 0 0 "[ . 1 . 2]" 1
592 1 8 ALA MB 1 13 ARG HA 5.000 . 6.000 3.273 3.150 3.438 . 0 0 "[ . 1 . 2]" 1
593 1 8 ALA MB 1 13 ARG QG 4.000 . 4.750 1.868 1.802 1.954 . 0 0 "[ . 1 . 2]" 1
594 1 8 ALA MB 1 13 ARG QD 5.000 . 6.000 3.089 2.527 3.549 . 0 0 "[ . 1 . 2]" 1
595 1 8 ALA MB 1 23 ILE MG 5.000 . 6.000 1.996 1.871 2.335 . 0 0 "[ . 1 . 2]" 1
596 1 8 ALA MB 1 23 ILE MD 4.000 . 4.750 1.908 1.788 2.079 0.012 12 0 "[ . 1 . 2]" 1
597 1 8 ALA MB 1 23 ILE QG 4.000 . 4.750 1.937 1.848 2.210 . 0 0 "[ . 1 . 2]" 1
598 1 8 ALA HA 1 35 VAL H 5.000 . 6.000 2.358 2.060 2.645 . 0 0 "[ . 1 . 2]" 1
599 1 8 ALA MB 1 35 VAL H 5.000 . 6.000 3.006 2.801 3.169 . 0 0 "[ . 1 . 2]" 1
600 1 8 ALA MB 1 35 VAL HB 3.000 . 3.500 2.008 1.905 2.252 . 0 0 "[ . 1 . 2]" 1
601 1 9 MET H 1 36 LEU HA 5.000 . 6.000 4.072 3.880 4.260 . 0 0 "[ . 1 . 2]" 1
602 1 9 MET H 1 36 LEU QD 5.000 . 6.000 3.715 3.519 3.969 . 0 0 "[ . 1 . 2]" 1
603 1 12 VAL MG1 1 17 ARG H 5.000 . 6.000 5.042 5.032 5.055 . 0 0 "[ . 1 . 2]" 1
604 1 12 VAL MG2 1 23 ILE MD 5.000 . 6.000 4.167 4.162 4.174 . 0 0 "[ . 1 . 2]" 1
605 1 12 VAL MG2 1 34 ARG QG 5.000 . 6.000 4.072 3.891 4.397 . 0 0 "[ . 1 . 2]" 1
606 1 12 VAL MG2 1 37 LYS H 4.000 . 4.750 2.232 2.100 2.425 . 0 0 "[ . 1 . 2]" 1
607 1 12 VAL MG2 1 37 LYS HB2 4.000 . 4.750 2.733 2.543 2.913 . 0 0 "[ . 1 . 2]" 1
608 1 12 VAL MG2 1 38 GLU H 5.000 . 6.000 4.419 4.302 4.607 . 0 0 "[ . 1 . 2]" 1
609 1 12 VAL MG1 1 39 ASP HB2 5.000 . 6.000 3.923 3.832 4.074 . 0 0 "[ . 1 . 2]" 1
610 1 12 VAL MG1 1 40 ILE H 4.000 . 4.750 3.569 3.442 3.745 . 0 0 "[ . 1 . 2]" 1
611 1 12 VAL MG2 1 40 ILE MD 5.000 . 6.000 4.120 4.041 4.168 . 0 0 "[ . 1 . 2]" 1
612 1 13 ARG H 1 23 ILE MD 5.000 . 6.000 3.912 3.701 4.047 . 0 0 "[ . 1 . 2]" 1
613 1 13 ARG HA 1 23 ILE MG 5.000 . 6.000 5.009 4.996 5.026 . 0 0 "[ . 1 . 2]" 1
614 1 13 ARG HA 1 23 ILE MD 4.000 . 4.750 2.785 2.608 2.929 . 0 0 "[ . 1 . 2]" 1
615 1 13 ARG HA 1 40 ILE MD 5.000 . 6.000 4.158 4.042 4.260 . 0 0 "[ . 1 . 2]" 1
616 1 15 TYR QD 1 37 LYS HA 3.000 . 3.500 2.695 2.634 2.762 . 0 0 "[ . 1 . 2]" 1
617 1 15 TYR QD 1 37 LYS HB3 5.000 . 6.000 4.950 4.854 5.089 . 0 0 "[ . 1 . 2]" 1
618 1 15 TYR QD 1 37 LYS HB2 5.000 . 6.000 4.312 4.206 4.381 . 0 0 "[ . 1 . 2]" 1
619 1 15 TYR QD 1 37 LYS QG 3.000 . 3.500 2.661 2.571 2.736 . 0 0 "[ . 1 . 2]" 1
620 1 15 TYR QD 1 37 LYS QD 5.000 . 6.000 4.106 2.862 4.599 . 0 0 "[ . 1 . 2]" 1
621 1 15 TYR QD 1 37 LYS QE 5.000 . 6.000 3.490 2.642 4.439 . 0 0 "[ . 1 . 2]" 1
622 1 15 TYR QE 1 37 LYS HA 4.000 . 4.750 3.799 3.748 3.866 . 0 0 "[ . 1 . 2]" 1
623 1 15 TYR QE 1 37 LYS HB3 5.000 . 6.000 5.251 5.132 5.357 . 0 0 "[ . 1 . 2]" 1
624 1 15 TYR QE 1 37 LYS HB2 5.000 . 6.000 5.333 5.211 5.353 . 0 0 "[ . 1 . 2]" 1
625 1 15 TYR QE 1 37 LYS QG 3.000 . 3.500 2.793 2.786 2.802 . 0 0 "[ . 1 . 2]" 1
626 1 15 TYR QE 1 37 LYS QD 5.000 . 6.000 4.211 3.854 4.488 . 0 0 "[ . 1 . 2]" 1
627 1 15 TYR QE 1 37 LYS QE 4.000 . 4.750 3.151 2.810 3.638 . 0 0 "[ . 1 . 2]" 1
628 1 15 TYR QD 1 40 ILE H 4.000 . 4.750 4.179 4.135 4.206 . 0 0 "[ . 1 . 2]" 1
629 1 15 TYR QD 1 40 ILE HA 5.000 . 6.000 4.590 4.569 4.636 . 0 0 "[ . 1 . 2]" 1
630 1 15 TYR QD 1 40 ILE HB 3.000 . 3.500 2.026 2.003 2.048 . 0 0 "[ . 1 . 2]" 1
631 1 15 TYR QD 1 40 ILE MG 3.000 . 3.500 2.164 2.133 2.224 . 0 0 "[ . 1 . 2]" 1
632 1 15 TYR QD 1 40 ILE MD 4.000 . 4.750 3.548 3.538 3.555 . 0 0 "[ . 1 . 2]" 1
633 1 15 TYR QD 1 40 ILE QG 3.000 . 3.500 1.916 1.900 1.942 . 0 0 "[ . 1 . 2]" 1
634 1 15 TYR QE 1 40 ILE H 4.000 . 4.750 4.188 4.139 4.227 . 0 0 "[ . 1 . 2]" 1
635 1 15 TYR QE 1 40 ILE HA 5.000 . 6.000 4.356 4.337 4.372 . 0 0 "[ . 1 . 2]" 1
636 1 15 TYR QE 1 40 ILE HB 3.000 . 3.500 1.741 1.718 1.773 0.082 7 0 "[ . 1 . 2]" 1
637 1 15 TYR QE 1 40 ILE MG 4.000 . 4.750 2.428 2.352 2.491 . 0 0 "[ . 1 . 2]" 1
638 1 15 TYR QE 1 40 ILE MD 5.000 . 6.000 4.488 4.481 4.495 . 0 0 "[ . 1 . 2]" 1
639 1 15 TYR QE 1 40 ILE QG 4.000 . 4.750 3.493 3.470 3.526 . 0 0 "[ . 1 . 2]" 1
640 1 15 TYR QD 1 41 ASP H 5.000 . 6.000 4.011 3.975 4.027 . 0 0 "[ . 1 . 2]" 1
641 1 15 TYR QD 1 41 ASP HA 5.000 . 6.000 5.367 5.362 5.377 . 0 0 "[ . 1 . 2]" 1
642 1 15 TYR QE 1 41 ASP H 4.000 . 4.750 2.351 2.315 2.392 . 0 0 "[ . 1 . 2]" 1
643 1 15 TYR QE 1 41 ASP HA 5.000 . 6.000 3.179 3.165 3.209 . 0 0 "[ . 1 . 2]" 1
644 1 16 ALA H 1 21 VAL HB 5.000 . 6.000 4.878 4.732 4.930 . 0 0 "[ . 1 . 2]" 1
645 1 16 ALA H 1 21 VAL MG1 5.000 . 6.000 5.016 5.007 5.022 . 0 0 "[ . 1 . 2]" 1
646 1 16 ALA HA 1 21 VAL H 4.000 . 4.750 3.312 3.151 3.356 . 0 0 "[ . 1 . 2]" 1
647 1 16 ALA HA 1 21 VAL MG1 5.000 . 6.000 3.419 3.350 3.480 . 0 0 "[ . 1 . 2]" 1
648 1 16 ALA MB 1 21 VAL HA 5.000 . 6.000 4.146 4.088 4.195 . 0 0 "[ . 1 . 2]" 1
649 1 16 ALA MB 1 21 VAL MG1 5.000 . 6.000 1.926 1.911 1.966 . 0 0 "[ . 1 . 2]" 1
650 1 16 ALA MB 1 22 ASP H 4.000 . 4.750 3.984 3.976 3.993 . 0 0 "[ . 1 . 2]" 1
651 1 16 ALA H 1 23 ILE MD 5.000 . 6.000 3.896 3.753 4.048 . 0 0 "[ . 1 . 2]" 1
652 1 16 ALA HA 1 23 ILE MD 5.000 . 6.000 4.615 4.419 4.780 . 0 0 "[ . 1 . 2]" 1
653 1 16 ALA MB 1 23 ILE H 4.000 . 4.750 3.328 3.242 3.404 . 0 0 "[ . 1 . 2]" 1
654 1 16 ALA MB 1 23 ILE MD 4.000 . 4.750 2.157 1.987 2.342 . 0 0 "[ . 1 . 2]" 1
655 1 16 ALA MB 1 26 VAL MG2 5.000 . 6.000 3.425 3.314 3.513 . 0 0 "[ . 1 . 2]" 1
656 1 16 ALA H 1 40 ILE MD 5.000 . 6.000 3.433 3.304 3.488 . 0 0 "[ . 1 . 2]" 1
657 1 16 ALA HA 1 40 ILE MG 3.000 . 3.500 1.931 1.904 1.950 . 0 0 "[ . 1 . 2]" 1
658 1 16 ALA HA 1 40 ILE MD 4.000 . 4.750 3.215 3.080 3.273 . 0 0 "[ . 1 . 2]" 1
659 1 16 ALA MB 1 40 ILE MD 4.000 . 4.750 1.722 1.672 1.772 0.128 16 0 "[ . 1 . 2]" 1
660 1 16 ALA HA 1 44 LEU MD2 5.000 . 6.000 5.001 4.987 5.006 . 0 0 "[ . 1 . 2]" 1
661 1 17 ARG H 1 40 ILE MG 5.000 . 6.000 4.560 4.528 4.585 . 0 0 "[ . 1 . 2]" 1
662 1 17 ARG H 1 40 ILE MD 5.000 . 6.000 4.736 4.641 4.820 . 0 0 "[ . 1 . 2]" 1
663 1 19 LYS H 1 40 ILE MG 4.000 . 4.750 4.008 3.998 4.022 . 0 0 "[ . 1 . 2]" 1
664 1 19 LYS QB 1 44 LEU MD2 5.000 . 6.000 2.060 1.960 2.343 . 0 0 "[ . 1 . 2]" 1
665 1 21 VAL HA 1 26 VAL MG2 5.000 . 6.000 4.642 4.511 4.758 . 0 0 "[ . 1 . 2]" 1
666 1 21 VAL MG1 1 26 VAL H 5.000 . 6.000 4.465 4.370 4.560 . 0 0 "[ . 1 . 2]" 1
667 1 21 VAL MG1 1 26 VAL MG1 5.000 . 6.000 3.689 3.523 3.818 . 0 0 "[ . 1 . 2]" 1
668 1 21 VAL MG2 1 26 VAL MG2 5.000 . 6.000 3.761 3.639 3.848 . 0 0 "[ . 1 . 2]" 1
669 1 21 VAL MG1 1 40 ILE MD 5.000 . 6.000 2.448 2.326 2.521 . 0 0 "[ . 1 . 2]" 1
670 1 21 VAL HA 1 43 TRP HD1 5.000 . 6.000 3.382 3.293 3.476 . 0 0 "[ . 1 . 2]" 1
671 1 21 VAL HA 1 43 TRP HE1 5.000 . 6.000 4.048 3.987 4.089 . 0 0 "[ . 1 . 2]" 1
672 1 21 VAL MG1 1 43 TRP HB3 5.000 . 6.000 2.657 2.604 2.753 . 0 0 "[ . 1 . 2]" 1
673 1 21 VAL MG1 1 43 TRP HB2 5.000 . 6.000 3.081 2.991 3.176 . 0 0 "[ . 1 . 2]" 1
674 1 21 VAL MG1 1 43 TRP HD1 5.000 . 6.000 2.383 2.269 2.518 . 0 0 "[ . 1 . 2]" 1
675 1 21 VAL MG1 1 43 TRP HE1 5.000 . 6.000 3.493 3.419 3.595 . 0 0 "[ . 1 . 2]" 1
676 1 21 VAL MG2 1 43 TRP H 5.000 . 6.000 4.576 4.488 4.628 . 0 0 "[ . 1 . 2]" 1
677 1 21 VAL MG2 1 43 TRP HD1 5.000 . 6.000 1.852 1.821 1.931 . 0 0 "[ . 1 . 2]" 1
678 1 21 VAL MG2 1 43 TRP HE1 5.000 . 6.000 3.705 3.624 3.824 . 0 0 "[ . 1 . 2]" 1
679 1 21 VAL H 1 44 LEU MD1 5.000 . 6.000 4.363 4.121 4.402 . 0 0 "[ . 1 . 2]" 1
680 1 21 VAL HA 1 44 LEU MD1 5.000 . 6.000 5.001 4.994 5.007 . 0 0 "[ . 1 . 2]" 1
681 1 21 VAL HA 1 44 LEU MD2 5.000 . 6.000 4.140 4.060 4.189 . 0 0 "[ . 1 . 2]" 1
682 1 21 VAL MG1 1 44 LEU MD1 5.000 . 6.000 3.545 3.492 3.735 . 0 0 "[ . 1 . 2]" 1
683 1 21 VAL MG1 1 44 LEU MD2 5.000 . 6.000 4.146 4.104 4.166 . 0 0 "[ . 1 . 2]" 1
684 1 21 VAL MG2 1 44 LEU H 5.000 . 6.000 3.121 3.067 3.167 . 0 0 "[ . 1 . 2]" 1
685 1 21 VAL MG2 1 44 LEU HA 5.000 . 6.000 3.711 3.660 3.774 . 0 0 "[ . 1 . 2]" 1
686 1 21 VAL MG2 1 44 LEU HG 4.000 . 4.750 1.833 1.813 1.858 . 0 0 "[ . 1 . 2]" 1
687 1 21 VAL MG2 1 44 LEU MD1 4.000 . 4.750 1.963 1.918 2.018 . 0 0 "[ . 1 . 2]" 1
688 1 21 VAL MG2 1 44 LEU MD2 4.000 . 4.750 1.840 1.804 1.858 . 0 0 "[ . 1 . 2]" 1
689 1 22 ASP H 1 43 TRP HZ2 5.000 . 6.000 6.010 6.002 6.020 0.020 16 0 "[ . 1 . 2]" 1
690 1 23 ILE HA 1 35 VAL MG2 5.000 . 6.000 2.761 2.572 3.188 . 0 0 "[ . 1 . 2]" 1
691 1 23 ILE MD 1 35 VAL HB 4.000 . 4.750 2.291 1.959 2.733 . 0 0 "[ . 1 . 2]" 1
692 1 23 ILE QG 1 35 VAL MG2 5.000 . 6.000 3.972 3.820 4.225 . 0 0 "[ . 1 . 2]" 1
693 1 23 ILE H 1 40 ILE MD 5.000 . 6.000 4.343 4.287 4.425 . 0 0 "[ . 1 . 2]" 1
694 1 23 ILE HA 1 40 ILE MD 5.000 . 6.000 3.434 3.344 3.479 . 0 0 "[ . 1 . 2]" 1
695 1 23 ILE QG 1 40 ILE MD 5.000 . 6.000 3.611 3.525 3.744 . 0 0 "[ . 1 . 2]" 1
696 1 25 LEU HB3 1 43 TRP HD1 5.000 . 6.000 5.547 5.386 5.741 . 0 0 "[ . 1 . 2]" 1
697 1 25 LEU HB3 1 43 TRP HE1 4.000 . 4.750 3.476 3.333 3.679 . 0 0 "[ . 1 . 2]" 1
698 1 25 LEU HB3 1 43 TRP HZ2 4.000 . 4.750 2.103 2.005 2.209 . 0 0 "[ . 1 . 2]" 1
699 1 25 LEU HB3 1 43 TRP HH2 4.000 . 4.750 3.464 3.414 3.529 . 0 0 "[ . 1 . 2]" 1
700 1 25 LEU HB2 1 43 TRP HE1 4.000 . 4.750 2.892 2.735 3.061 . 0 0 "[ . 1 . 2]" 1
701 1 25 LEU HB2 1 43 TRP HZ2 4.000 . 4.750 2.912 2.760 3.126 . 0 0 "[ . 1 . 2]" 1
702 1 25 LEU HB2 1 43 TRP HH2 5.000 . 6.000 4.262 4.113 4.496 . 0 0 "[ . 1 . 2]" 1
703 1 25 LEU HG 1 43 TRP HZ2 5.000 . 6.000 4.786 4.680 4.910 . 0 0 "[ . 1 . 2]" 1
704 1 25 LEU MD1 1 43 TRP HE1 5.000 . 6.000 2.108 1.971 2.353 . 0 0 "[ . 1 . 2]" 1
705 1 25 LEU MD1 1 43 TRP HZ2 4.000 . 4.750 2.836 2.704 3.081 . 0 0 "[ . 1 . 2]" 1
706 1 25 LEU MD1 1 43 TRP HH2 5.000 . 6.000 4.859 4.762 5.000 . 0 0 "[ . 1 . 2]" 1
707 1 25 LEU MD2 1 43 TRP HE1 5.000 . 6.000 4.523 4.359 4.673 . 0 0 "[ . 1 . 2]" 1
708 1 25 LEU MD2 1 43 TRP HZ2 5.000 . 6.000 3.827 3.677 3.951 . 0 0 "[ . 1 . 2]" 1
709 1 25 LEU MD2 1 43 TRP HH2 5.000 . 6.000 4.985 4.907 5.001 . 0 0 "[ . 1 . 2]" 1
710 1 26 VAL H 1 35 VAL MG2 5.000 . 6.000 3.858 3.741 4.004 . 0 0 "[ . 1 . 2]" 1
711 1 26 VAL HB 1 35 VAL MG2 5.000 . 6.000 1.937 1.889 1.993 . 0 0 "[ . 1 . 2]" 1
712 1 26 VAL MG1 1 35 VAL MG1 5.000 . 6.000 2.266 1.950 2.495 . 0 0 "[ . 1 . 2]" 1
713 1 26 VAL MG1 1 35 VAL MG2 5.000 . 6.000 2.055 1.896 2.340 . 0 0 "[ . 1 . 2]" 1
714 1 26 VAL MG2 1 35 VAL MG1 5.000 . 6.000 3.068 2.842 3.320 . 0 0 "[ . 1 . 2]" 1
715 1 26 VAL MG2 1 35 VAL MG2 5.000 . 6.000 3.311 3.192 3.379 . 0 0 "[ . 1 . 2]" 1
716 1 26 VAL MG1 1 36 LEU H 5.000 . 6.000 4.191 4.099 4.310 . 0 0 "[ . 1 . 2]" 1
717 1 26 VAL MG1 1 39 ASP HB3 4.000 . 4.750 1.842 1.827 1.859 . 0 0 "[ . 1 . 2]" 1
718 1 26 VAL MG1 1 39 ASP HB2 4.000 . 4.750 3.126 3.021 3.189 . 0 0 "[ . 1 . 2]" 1
719 1 26 VAL HB 1 40 ILE MD 5.000 . 6.000 3.437 3.265 3.565 . 0 0 "[ . 1 . 2]" 1
720 1 26 VAL MG1 1 40 ILE H 5.000 . 6.000 3.563 3.388 3.679 . 0 0 "[ . 1 . 2]" 1
721 1 26 VAL MG1 1 40 ILE HA 4.000 . 4.750 2.988 2.770 3.142 . 0 0 "[ . 1 . 2]" 1
722 1 26 VAL MG1 1 40 ILE QG 5.000 . 6.000 4.084 3.785 4.259 . 0 0 "[ . 1 . 2]" 1
723 1 26 VAL MG2 1 40 ILE H 5.000 . 6.000 4.486 4.384 4.596 . 0 0 "[ . 1 . 2]" 1
724 1 26 VAL MG2 1 40 ILE HA 5.000 . 6.000 2.701 2.628 2.944 . 0 0 "[ . 1 . 2]" 1
725 1 26 VAL MG2 1 40 ILE MD 5.000 . 6.000 2.534 2.370 2.698 . 0 0 "[ . 1 . 2]" 1
726 1 26 VAL MG1 1 42 ALA H 5.000 . 6.000 4.996 4.972 5.002 . 0 0 "[ . 1 . 2]" 1
727 1 26 VAL HA 1 43 TRP HB2 4.000 . 4.750 4.329 4.214 4.478 . 0 0 "[ . 1 . 2]" 1
728 1 26 VAL HA 1 43 TRP HE3 5.000 . 6.000 3.623 3.527 3.730 . 0 0 "[ . 1 . 2]" 1
729 1 26 VAL HA 1 43 TRP HZ3 4.000 . 4.750 3.991 3.861 4.140 . 0 0 "[ . 1 . 2]" 1
730 1 26 VAL MG1 1 43 TRP H 5.000 . 6.000 3.961 3.885 4.070 . 0 0 "[ . 1 . 2]" 1
731 1 26 VAL MG1 1 43 TRP HB3 5.000 . 6.000 4.339 4.159 4.508 . 0 0 "[ . 1 . 2]" 1
732 1 26 VAL MG1 1 43 TRP HB2 4.000 . 4.750 3.021 2.842 3.196 . 0 0 "[ . 1 . 2]" 1
733 1 26 VAL MG1 1 43 TRP HE3 5.000 . 6.000 3.620 3.463 3.774 . 0 0 "[ . 1 . 2]" 1
734 1 26 VAL MG2 1 43 TRP H 5.000 . 6.000 4.253 4.141 4.381 . 0 0 "[ . 1 . 2]" 1
735 1 26 VAL MG2 1 43 TRP HB3 5.000 . 6.000 3.392 3.307 3.489 . 0 0 "[ . 1 . 2]" 1
736 1 26 VAL MG2 1 43 TRP HB2 4.000 . 4.750 2.557 2.471 2.658 . 0 0 "[ . 1 . 2]" 1
737 1 26 VAL MG2 1 43 TRP HE3 5.000 . 6.000 3.714 3.604 3.918 . 0 0 "[ . 1 . 2]" 1
738 1 26 VAL MG2 1 43 TRP HZ3 5.000 . 6.000 4.829 4.658 4.996 . 0 0 "[ . 1 . 2]" 1
739 1 28 GLY H 1 34 ARG HA 4.000 . 4.750 4.784 4.764 4.813 0.063 9 0 "[ . 1 . 2]" 1
740 1 28 GLY H 1 35 VAL HA 4.000 . 4.750 4.015 3.697 4.351 . 0 0 "[ . 1 . 2]" 1
741 1 28 GLY H 1 35 VAL HB 5.000 . 6.000 4.868 4.616 5.121 . 0 0 "[ . 1 . 2]" 1
742 1 28 GLY H 1 35 VAL MG1 5.000 . 6.000 4.718 4.437 5.000 . 0 0 "[ . 1 . 2]" 1
743 1 28 GLY H 1 35 VAL MG2 4.000 . 4.750 2.277 2.005 2.484 . 0 0 "[ . 1 . 2]" 1
744 1 28 GLY QA 1 35 VAL H 4.000 . 4.750 2.862 2.676 3.114 . 0 0 "[ . 1 . 2]" 1
745 1 28 GLY QA 1 35 VAL HA 3.000 . 3.500 1.866 1.787 1.931 0.013 19 0 "[ . 1 . 2]" 1
746 1 28 GLY QA 1 35 VAL MG1 5.000 . 6.000 3.520 3.352 3.656 . 0 0 "[ . 1 . 2]" 1
747 1 28 GLY QA 1 35 VAL MG2 4.000 . 4.750 2.068 1.904 2.318 . 0 0 "[ . 1 . 2]" 1
748 1 28 GLY QA 1 36 LEU H 4.000 . 4.750 3.422 3.157 3.631 . 0 0 "[ . 1 . 2]" 1
749 1 29 THR H 1 35 VAL HA 4.000 . 4.750 3.200 2.909 3.341 . 0 0 "[ . 1 . 2]" 1
750 1 29 THR H 1 35 VAL MG1 5.000 . 6.000 4.962 4.772 5.010 . 0 0 "[ . 1 . 2]" 1
751 1 29 THR H 1 35 VAL MG2 5.000 . 6.000 4.149 3.850 4.343 . 0 0 "[ . 1 . 2]" 1
752 1 29 THR H 1 36 LEU H 4.000 . 4.750 3.899 3.695 4.020 . 0 0 "[ . 1 . 2]" 1
753 1 29 THR H 1 36 LEU HG 5.000 . 6.000 3.914 3.567 4.072 . 0 0 "[ . 1 . 2]" 1
754 1 29 THR H 1 36 LEU QD 5.000 . 6.000 4.361 4.106 4.461 . 0 0 "[ . 1 . 2]" 1
755 1 30 GLY H 1 35 VAL HA 4.000 . 4.750 4.143 3.963 4.451 . 0 0 "[ . 1 . 2]" 1
756 1 30 GLY H 1 36 LEU H 5.000 . 6.000 5.026 4.820 5.230 . 0 0 "[ . 1 . 2]" 1
757 1 30 GLY H 1 36 LEU HG 4.000 . 4.750 3.895 3.729 4.020 . 0 0 "[ . 1 . 2]" 1
758 1 30 GLY QA 1 36 LEU HG 4.000 . 4.750 3.010 2.886 3.154 . 0 0 "[ . 1 . 2]" 1
759 1 30 GLY QA 1 36 LEU QD 4.000 . 4.750 2.617 2.423 2.771 . 0 0 "[ . 1 . 2]" 1
760 1 31 LYS H 1 36 LEU QD 5.000 . 6.000 4.454 4.374 4.464 . 0 0 "[ . 1 . 2]" 1
761 1 35 VAL MG1 1 40 ILE H 4.000 . 4.750 2.964 2.891 3.057 . 0 0 "[ . 1 . 2]" 1
762 1 35 VAL MG2 1 40 ILE H 5.000 . 6.000 5.049 5.033 5.060 . 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 34
_Distance_constraint_stats_list.Viol_count 264
_Distance_constraint_stats_list.Viol_total 88.649
_Distance_constraint_stats_list.Viol_max 0.054
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.0168
_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 0.090 0.027 19 0 "[ . 1 . 2]"
1 11 SER 0.078 0.015 19 0 "[ . 1 . 2]"
1 12 VAL 0.610 0.041 4 0 "[ . 1 . 2]"
1 13 ARG 0.304 0.027 4 0 "[ . 1 . 2]"
1 14 LYS 0.181 0.018 16 0 "[ . 1 . 2]"
1 15 TYR 0.651 0.039 7 0 "[ . 1 . 2]"
1 16 ALA 1.957 0.054 18 0 "[ . 1 . 2]"
1 17 ARG 0.304 0.027 4 0 "[ . 1 . 2]"
1 18 GLU 0.181 0.018 16 0 "[ . 1 . 2]"
1 19 LYS 0.574 0.039 7 0 "[ . 1 . 2]"
1 21 VAL 1.348 0.054 18 0 "[ . 1 . 2]"
1 22 ASP 0.076 0.013 2 0 "[ . 1 . 2]"
1 23 ILE 0.361 0.025 18 0 "[ . 1 . 2]"
1 24 ARG 0.011 0.005 16 0 "[ . 1 . 2]"
1 25 LEU 0.064 0.013 2 0 "[ . 1 . 2]"
1 26 VAL 0.361 0.025 18 0 "[ . 1 . 2]"
1 30 GLY 0.300 0.032 12 0 "[ . 1 . 2]"
1 34 ARG 0.300 0.032 12 0 "[ . 1 . 2]"
1 35 VAL 0.090 0.027 19 0 "[ . 1 . 2]"
1 36 LEU 0.477 0.024 5 0 "[ . 1 . 2]"
1 37 LYS 0.001 0.001 16 0 "[ . 1 . 2]"
1 38 GLU 0.026 0.009 18 0 "[ . 1 . 2]"
1 39 ASP 0.446 0.024 5 0 "[ . 1 . 2]"
1 40 ILE 0.040 0.013 4 0 "[ . 1 . 2]"
1 41 ASP 0.001 0.001 16 0 "[ . 1 . 2]"
1 42 ALA 0.026 0.009 18 0 "[ . 1 . 2]"
1 43 TRP 0.009 0.005 19 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 11 SER O 1 15 TYR H 1.950 . 2.100 2.096 2.030 2.115 0.015 19 0 "[ . 1 . 2]" 2
2 1 11 SER O 1 15 TYR N 2.900 2.700 3.100 2.957 2.867 2.994 . 0 0 "[ . 1 . 2]" 2
3 1 12 VAL O 1 16 ALA H 1.950 . 2.100 1.770 1.759 1.788 0.041 4 0 "[ . 1 . 2]" 2
4 1 12 VAL O 1 16 ALA N 2.900 2.700 3.100 2.740 2.730 2.757 . 0 0 "[ . 1 . 2]" 2
5 1 13 ARG O 1 17 ARG H 1.950 . 2.100 2.115 2.107 2.127 0.027 4 0 "[ . 1 . 2]" 2
6 1 13 ARG O 1 17 ARG N 2.900 2.700 3.100 2.956 2.945 2.969 . 0 0 "[ . 1 . 2]" 2
7 1 14 LYS O 1 18 GLU H 1.950 . 2.100 2.108 2.083 2.118 0.018 16 0 "[ . 1 . 2]" 2
8 1 14 LYS O 1 18 GLU N 2.900 2.700 3.100 2.826 2.804 2.847 . 0 0 "[ . 1 . 2]" 2
9 1 15 TYR O 1 19 LYS H 1.950 . 2.100 1.792 1.761 1.800 0.039 7 0 "[ . 1 . 2]" 2
10 1 15 TYR O 1 19 LYS N 2.900 2.700 3.100 2.679 2.665 2.697 0.035 9 0 "[ . 1 . 2]" 2
11 1 16 ALA O 1 21 VAL H 1.950 . 2.100 1.779 1.767 1.878 0.033 2 0 "[ . 1 . 2]" 2
12 1 16 ALA O 1 21 VAL N 2.900 2.700 3.100 2.657 2.646 2.665 0.054 18 0 "[ . 1 . 2]" 2
13 1 22 ASP OD1 1 24 ARG H 1.950 . 2.100 1.936 1.829 2.105 0.005 16 0 "[ . 1 . 2]" 2
14 1 22 ASP OD1 1 24 ARG N 2.900 2.700 3.100 2.902 2.782 3.077 . 0 0 "[ . 1 . 2]" 2
15 1 22 ASP O 1 25 LEU H 1.950 . 2.100 1.844 1.816 1.873 . 0 0 "[ . 1 . 2]" 2
16 1 22 ASP O 1 25 LEU N 2.900 2.700 3.100 2.704 2.687 2.727 0.013 2 0 "[ . 1 . 2]" 2
17 1 23 ILE O 1 26 VAL H 1.950 . 2.100 2.118 2.109 2.125 0.025 18 0 "[ . 1 . 2]" 2
18 1 23 ILE O 1 26 VAL N 2.900 2.700 3.100 2.973 2.939 3.011 . 0 0 "[ . 1 . 2]" 2
19 1 30 GLY O 1 34 ARG H 1.950 . 2.100 1.802 1.768 2.002 0.032 12 0 "[ . 1 . 2]" 2
20 1 30 GLY O 1 34 ARG N 2.900 2.700 3.100 2.755 2.702 2.944 . 0 0 "[ . 1 . 2]" 2
21 1 7 ILE O 1 35 VAL H 1.950 . 2.100 1.930 1.792 2.127 0.027 19 0 "[ . 1 . 2]" 2
22 1 7 ILE O 1 35 VAL N 2.900 2.700 3.100 2.895 2.755 3.092 . 0 0 "[ . 1 . 2]" 2
23 1 36 LEU H 1 39 ASP OD2 1.950 . 2.100 2.118 2.113 2.124 0.024 5 0 "[ . 1 . 2]" 2
24 1 36 LEU N 1 39 ASP OD2 2.900 2.700 3.100 3.072 3.052 3.094 . 0 0 "[ . 1 . 2]" 2
25 1 36 LEU O 1 39 ASP H 1.950 . 2.100 2.068 2.037 2.109 0.009 12 0 "[ . 1 . 2]" 2
26 1 36 LEU O 1 39 ASP N 2.900 2.700 3.100 2.712 2.693 2.752 0.007 9 0 "[ . 1 . 2]" 2
27 1 36 LEU O 1 40 ILE H 1.950 . 2.100 2.088 2.041 2.113 0.013 4 0 "[ . 1 . 2]" 2
28 1 36 LEU O 1 40 ILE N 2.900 2.700 3.100 3.031 2.984 3.055 . 0 0 "[ . 1 . 2]" 2
29 1 37 LYS O 1 41 ASP H 1.950 . 2.100 2.048 1.996 2.101 0.001 16 0 "[ . 1 . 2]" 2
30 1 37 LYS O 1 41 ASP N 2.900 2.700 3.100 3.026 2.975 3.076 . 0 0 "[ . 1 . 2]" 2
31 1 38 GLU O 1 42 ALA H 1.950 . 2.100 2.067 1.999 2.109 0.009 18 0 "[ . 1 . 2]" 2
32 1 38 GLU O 1 42 ALA N 2.900 2.700 3.100 2.936 2.876 2.996 . 0 0 "[ . 1 . 2]" 2
33 1 39 ASP O 1 43 TRP H 1.950 . 2.100 2.079 2.030 2.105 0.005 19 0 "[ . 1 . 2]" 2
34 1 39 ASP O 1 43 TRP N 2.900 2.700 3.100 2.948 2.919 2.973 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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