NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401713 |
1w3d   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1w3d
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 631
_Distance_constraint_stats_list.Viol_count 285
_Distance_constraint_stats_list.Viol_total 184.997
_Distance_constraint_stats_list.Viol_max 0.215
_Distance_constraint_stats_list.Viol_rms 0.0069
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0007
_Distance_constraint_stats_list.Viol_average_violations_only 0.0325
_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 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.002 0.002 17 0 "[ . 1 . 2]"
1 16 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.043 0.008 20 0 "[ . 1 . 2]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 ARG 0.937 0.057 8 0 "[ . 1 . 2]"
1 21 LYS 0.043 0.008 20 0 "[ . 1 . 2]"
1 22 TYR 1.326 0.064 7 0 "[ . 1 . 2]"
1 23 ALA 2.057 0.064 7 0 "[ . 1 . 2]"
1 24 ARG 0.317 0.023 17 0 "[ . 1 . 2]"
1 25 GLU 0.203 0.021 3 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLY 0.317 0.023 17 0 "[ . 1 . 2]"
1 28 VAL 0.009 0.006 9 0 "[ . 1 . 2]"
1 29 ASP 1.432 0.215 1 0 "[ . 1 . 2]"
1 30 ILE 2.110 0.081 9 0 "[ . 1 . 2]"
1 31 ARG 0.704 0.057 13 0 "[ . 1 . 2]"
1 32 LEU 1.861 0.215 1 0 "[ . 1 . 2]"
1 33 VAL 0.139 0.054 14 0 "[ . 1 . 2]"
1 34 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 GLY 0.025 0.005 18 0 "[ . 1 . 2]"
1 36 THR 0.184 0.086 4 0 "[ . 1 . 2]"
1 37 GLY 0.025 0.020 6 0 "[ . 1 . 2]"
1 38 LYS 0.036 0.036 3 0 "[ . 1 . 2]"
1 39 ASN 0.052 0.052 15 0 "[ . 1 . 2]"
1 40 GLY 0.089 0.052 15 0 "[ . 1 . 2]"
1 41 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.163 0.054 14 0 "[ . 1 . 2]"
1 43 LEU 0.025 0.020 6 0 "[ . 1 . 2]"
1 44 LYS 0.039 0.009 19 0 "[ . 1 . 2]"
1 45 GLU 0.283 0.024 7 0 "[ . 1 . 2]"
1 46 ASP 1.276 0.066 19 0 "[ . 1 . 2]"
1 47 ILE 0.245 0.022 3 0 "[ . 1 . 2]"
1 48 ASP 0.019 0.005 12 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 PHE 0.245 0.022 3 0 "[ . 1 . 2]"
1 51 LEU 0.452 0.051 15 0 "[ . 1 . 2]"
1 52 ALA 0.608 0.051 15 0 "[ . 1 . 2]"
1 53 GLY 0.156 0.046 13 0 "[ . 1 . 2]"
1 54 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 11 ARG H 1 11 ARG QB 3.000 . 3.500 2.549 2.082 3.122 . 0 0 "[ . 1 . 2]" 1
2 1 11 ARG H 1 11 ARG QG 4.000 . 4.750 3.556 2.036 4.234 . 0 0 "[ . 1 . 2]" 1
3 1 11 ARG H 1 11 ARG QD 5.000 . 6.000 4.175 1.963 5.119 . 0 0 "[ . 1 . 2]" 1
4 1 11 ARG HA 1 11 ARG QD 4.000 . 4.750 3.743 2.791 4.233 . 0 0 "[ . 1 . 2]" 1
5 1 11 ARG QB 1 11 ARG QD 3.000 . 3.500 2.115 1.940 2.445 . 0 0 "[ . 1 . 2]" 1
6 1 12 ARG H 1 12 ARG QB 3.000 . 3.500 2.417 2.075 3.093 . 0 0 "[ . 1 . 2]" 1
7 1 12 ARG H 1 12 ARG QG 4.000 . 4.750 3.457 1.939 4.068 . 0 0 "[ . 1 . 2]" 1
8 1 12 ARG H 1 12 ARG QD 5.000 . 6.000 4.186 2.386 4.998 . 0 0 "[ . 1 . 2]" 1
9 1 12 ARG HA 1 12 ARG QG 3.000 . 3.500 2.329 2.067 3.248 . 0 0 "[ . 1 . 2]" 1
10 1 12 ARG HA 1 12 ARG QD 4.000 . 4.750 3.511 2.023 4.234 . 0 0 "[ . 1 . 2]" 1
11 1 12 ARG QB 1 12 ARG QD 3.000 . 3.500 2.087 1.939 2.397 . 0 0 "[ . 1 . 2]" 1
12 1 13 VAL H 1 13 VAL HA 3.000 . 3.500 2.928 2.872 2.949 . 0 0 "[ . 1 . 2]" 1
13 1 13 VAL H 1 13 VAL HB 3.000 . 3.500 2.714 2.594 2.895 . 0 0 "[ . 1 . 2]" 1
14 1 13 VAL H 1 13 VAL MG2 4.000 . 4.750 2.496 1.972 2.860 . 0 0 "[ . 1 . 2]" 1
15 1 13 VAL HA 1 13 VAL HB 3.000 . 3.500 3.018 3.016 3.021 . 0 0 "[ . 1 . 2]" 1
16 1 13 VAL HA 1 13 VAL MG1 3.000 . 3.500 2.277 2.200 2.394 . 0 0 "[ . 1 . 2]" 1
17 1 13 VAL HA 1 13 VAL MG2 3.000 . 3.500 2.466 2.370 2.528 . 0 0 "[ . 1 . 2]" 1
18 1 14 ILE H 1 14 ILE HA 3.000 . 3.500 2.899 2.880 2.943 . 0 0 "[ . 1 . 2]" 1
19 1 14 ILE H 1 14 ILE HB 3.000 . 3.500 2.623 2.596 2.666 . 0 0 "[ . 1 . 2]" 1
20 1 14 ILE H 1 14 ILE MG 4.000 . 4.750 3.802 3.786 3.851 . 0 0 "[ . 1 . 2]" 1
21 1 14 ILE H 1 14 ILE QG 3.000 . 3.500 2.319 2.015 2.835 . 0 0 "[ . 1 . 2]" 1
22 1 14 ILE HA 1 14 ILE HB 3.000 . 3.500 3.018 3.014 3.021 . 0 0 "[ . 1 . 2]" 1
23 1 14 ILE HA 1 14 ILE MG 3.000 . 3.500 2.314 2.176 2.387 . 0 0 "[ . 1 . 2]" 1
24 1 14 ILE HA 1 14 ILE QG 3.000 . 3.500 2.520 2.410 2.994 . 0 0 "[ . 1 . 2]" 1
25 1 14 ILE QG 1 14 ILE MG 3.000 . 3.500 2.094 1.913 2.363 . 0 0 "[ . 1 . 2]" 1
26 1 16 MET H 1 16 MET HB2 4.000 . 4.750 2.346 2.122 2.750 . 0 0 "[ . 1 . 2]" 1
27 1 16 MET H 1 16 MET ME 5.000 . 6.000 4.353 1.930 4.998 . 0 0 "[ . 1 . 2]" 1
28 1 16 MET H 1 16 MET QG 4.000 . 4.750 3.157 2.522 3.952 . 0 0 "[ . 1 . 2]" 1
29 1 16 MET HA 1 16 MET HB2 3.000 . 3.500 2.983 2.917 3.023 . 0 0 "[ . 1 . 2]" 1
30 1 16 MET HA 1 16 MET ME 4.000 . 4.750 3.204 2.131 3.955 . 0 0 "[ . 1 . 2]" 1
31 1 16 MET HA 1 16 MET QG 2.500 . 2.800 2.256 2.047 2.495 . 0 0 "[ . 1 . 2]" 1
32 1 16 MET HB2 1 16 MET ME 4.000 . 4.750 3.428 2.183 3.956 . 0 0 "[ . 1 . 2]" 1
33 1 18 SER H 1 18 SER QB 3.000 . 3.500 2.350 2.107 2.858 . 0 0 "[ . 1 . 2]" 1
34 1 19 VAL H 1 19 VAL HB 3.000 . 3.500 2.558 2.528 2.582 . 0 0 "[ . 1 . 2]" 1
35 1 19 VAL H 1 19 VAL MG1 4.000 . 4.750 3.767 3.764 3.771 . 0 0 "[ . 1 . 2]" 1
36 1 19 VAL H 1 19 VAL MG2 4.000 . 4.750 1.998 1.961 2.060 . 0 0 "[ . 1 . 2]" 1
37 1 19 VAL HA 1 19 VAL HB 3.000 . 3.500 3.023 3.022 3.025 . 0 0 "[ . 1 . 2]" 1
38 1 19 VAL HA 1 19 VAL MG1 3.000 . 3.500 2.395 2.288 2.455 . 0 0 "[ . 1 . 2]" 1
39 1 20 ARG H 1 20 ARG QB 3.000 . 3.500 2.223 2.063 2.646 . 0 0 "[ . 1 . 2]" 1
40 1 20 ARG H 1 20 ARG QG 4.000 . 4.750 2.930 1.947 3.756 . 0 0 "[ . 1 . 2]" 1
41 1 20 ARG H 1 20 ARG QD 5.000 . 6.000 4.170 2.553 4.503 . 0 0 "[ . 1 . 2]" 1
42 1 20 ARG HA 1 20 ARG QG 3.000 . 3.500 2.452 2.283 2.847 . 0 0 "[ . 1 . 2]" 1
43 1 20 ARG QB 1 20 ARG QD 3.000 . 3.500 2.337 1.928 2.622 . 0 0 "[ . 1 . 2]" 1
44 1 21 LYS H 1 21 LYS HA 3.000 . 3.500 2.797 2.778 2.823 . 0 0 "[ . 1 . 2]" 1
45 1 21 LYS H 1 21 LYS QB 3.000 . 3.500 2.121 2.096 2.171 . 0 0 "[ . 1 . 2]" 1
46 1 21 LYS H 1 21 LYS QG 4.000 . 4.750 3.805 3.760 3.885 . 0 0 "[ . 1 . 2]" 1
47 1 21 LYS H 1 21 LYS QD 5.000 . 6.000 4.427 4.256 4.820 . 0 0 "[ . 1 . 2]" 1
48 1 21 LYS HA 1 21 LYS QG 3.000 . 3.500 2.876 2.756 3.140 . 0 0 "[ . 1 . 2]" 1
49 1 21 LYS HA 1 21 LYS QD 4.000 . 4.750 3.735 2.222 4.240 . 0 0 "[ . 1 . 2]" 1
50 1 21 LYS QB 1 21 LYS QD 3.000 . 3.500 2.176 2.068 2.557 . 0 0 "[ . 1 . 2]" 1
51 1 21 LYS QE 1 21 LYS QG 3.000 . 3.500 2.147 1.959 2.444 . 0 0 "[ . 1 . 2]" 1
52 1 22 TYR H 1 22 TYR HA 3.000 . 3.500 2.789 2.753 2.811 . 0 0 "[ . 1 . 2]" 1
53 1 22 TYR H 1 22 TYR HB3 3.000 . 3.500 2.687 2.535 2.739 . 0 0 "[ . 1 . 2]" 1
54 1 22 TYR H 1 22 TYR HB2 3.000 . 3.500 2.312 2.266 2.446 . 0 0 "[ . 1 . 2]" 1
55 1 22 TYR H 1 22 TYR QD 4.000 . 4.750 4.167 4.155 4.174 . 0 0 "[ . 1 . 2]" 1
56 1 22 TYR HA 1 22 TYR HB2 3.000 . 3.500 2.554 2.469 2.569 . 0 0 "[ . 1 . 2]" 1
57 1 22 TYR HA 1 22 TYR QD 3.000 . 3.500 2.378 2.109 2.421 . 0 0 "[ . 1 . 2]" 1
58 1 22 TYR HA 1 22 TYR QE 5.000 . 6.000 4.439 4.415 4.478 . 0 0 "[ . 1 . 2]" 1
59 1 22 TYR HB3 1 22 TYR QD 3.000 . 3.500 2.730 2.523 2.750 . 0 0 "[ . 1 . 2]" 1
60 1 22 TYR HB2 1 22 TYR QD 3.000 . 3.500 2.441 2.410 2.683 . 0 0 "[ . 1 . 2]" 1
61 1 23 ALA H 1 23 ALA HA 3.000 . 3.500 2.807 2.797 2.817 . 0 0 "[ . 1 . 2]" 1
62 1 23 ALA H 1 23 ALA MB 3.000 . 3.500 2.081 2.013 2.182 . 0 0 "[ . 1 . 2]" 1
63 1 24 ARG H 1 24 ARG QB 3.000 . 3.500 2.320 2.238 2.468 . 0 0 "[ . 1 . 2]" 1
64 1 24 ARG H 1 24 ARG QG 4.000 . 4.750 3.361 2.254 4.100 . 0 0 "[ . 1 . 2]" 1
65 1 24 ARG H 1 24 ARG QD 4.000 . 4.750 4.060 3.640 4.248 . 0 0 "[ . 1 . 2]" 1
66 1 24 ARG HA 1 24 ARG QG 3.000 . 3.500 2.588 2.238 2.898 . 0 0 "[ . 1 . 2]" 1
67 1 24 ARG HA 1 24 ARG QD 4.000 . 4.750 2.828 1.929 4.100 . 0 0 "[ . 1 . 2]" 1
68 1 24 ARG QB 1 24 ARG QD 3.000 . 3.500 2.214 1.938 2.784 . 0 0 "[ . 1 . 2]" 1
69 1 25 GLU H 1 25 GLU HA 3.000 . 3.500 2.901 2.892 2.917 . 0 0 "[ . 1 . 2]" 1
70 1 25 GLU H 1 25 GLU QB 3.000 . 3.500 2.243 2.157 2.354 . 0 0 "[ . 1 . 2]" 1
71 1 25 GLU H 1 25 GLU QG 3.000 . 3.500 2.928 2.622 3.120 . 0 0 "[ . 1 . 2]" 1
72 1 25 GLU HA 1 25 GLU QG 3.000 . 3.500 2.299 2.115 2.749 . 0 0 "[ . 1 . 2]" 1
73 1 26 LYS H 1 26 LYS HA 3.000 . 3.500 2.923 2.908 2.934 . 0 0 "[ . 1 . 2]" 1
74 1 26 LYS H 1 26 LYS QB 3.000 . 3.500 2.233 2.169 2.360 . 0 0 "[ . 1 . 2]" 1
75 1 26 LYS H 1 26 LYS QG 4.000 . 4.750 3.826 3.125 4.136 . 0 0 "[ . 1 . 2]" 1
76 1 26 LYS H 1 26 LYS QD 5.000 . 6.000 3.671 2.738 4.726 . 0 0 "[ . 1 . 2]" 1
77 1 26 LYS HA 1 26 LYS QG 3.000 . 3.500 2.352 2.100 2.733 . 0 0 "[ . 1 . 2]" 1
78 1 26 LYS HA 1 26 LYS QD 3.000 . 3.500 2.497 2.034 3.039 . 0 0 "[ . 1 . 2]" 1
79 1 26 LYS QB 1 26 LYS QD 3.000 . 3.500 2.171 1.947 2.341 . 0 0 "[ . 1 . 2]" 1
80 1 28 VAL H 1 28 VAL HA 3.000 . 3.500 2.917 2.903 2.927 . 0 0 "[ . 1 . 2]" 1
81 1 28 VAL H 1 28 VAL HB 3.000 . 3.500 2.555 2.509 2.596 . 0 0 "[ . 1 . 2]" 1
82 1 28 VAL H 1 28 VAL MG2 4.000 . 4.750 2.457 2.289 2.615 . 0 0 "[ . 1 . 2]" 1
83 1 28 VAL HA 1 28 VAL HB 3.000 . 3.500 3.023 3.022 3.024 . 0 0 "[ . 1 . 2]" 1
84 1 28 VAL HA 1 28 VAL MG2 3.000 . 3.500 2.361 2.289 2.486 . 0 0 "[ . 1 . 2]" 1
85 1 29 ASP H 1 29 ASP HA 3.000 . 3.500 2.943 2.931 2.947 . 0 0 "[ . 1 . 2]" 1
86 1 29 ASP H 1 29 ASP HB3 3.000 . 3.500 2.603 2.492 2.698 . 0 0 "[ . 1 . 2]" 1
87 1 29 ASP H 1 29 ASP HB2 3.000 . 3.500 2.926 2.875 2.977 . 0 0 "[ . 1 . 2]" 1
88 1 29 ASP HA 1 29 ASP HB3 3.000 . 3.500 3.024 3.019 3.027 . 0 0 "[ . 1 . 2]" 1
89 1 29 ASP HA 1 29 ASP HB2 3.000 . 3.500 2.480 2.429 2.524 . 0 0 "[ . 1 . 2]" 1
90 1 30 ILE H 1 30 ILE HA 3.000 . 3.500 2.736 2.711 2.758 . 0 0 "[ . 1 . 2]" 1
91 1 30 ILE H 1 30 ILE HB 3.000 . 3.500 3.577 3.570 3.581 0.081 9 0 "[ . 1 . 2]" 1
92 1 30 ILE H 1 30 ILE MG 3.000 . 3.500 2.308 2.206 2.409 . 0 0 "[ . 1 . 2]" 1
93 1 30 ILE H 1 30 ILE MD 5.000 . 6.000 3.365 2.504 3.525 . 0 0 "[ . 1 . 2]" 1
94 1 30 ILE H 1 30 ILE QG 3.000 . 3.500 1.880 1.826 2.006 . 0 0 "[ . 1 . 2]" 1
95 1 30 ILE HA 1 30 ILE HB 3.000 . 3.500 2.520 2.512 2.534 . 0 0 "[ . 1 . 2]" 1
96 1 30 ILE HB 1 30 ILE MD 3.000 . 3.500 2.529 2.428 2.917 . 0 0 "[ . 1 . 2]" 1
97 1 30 ILE QG 1 30 ILE MG 3.000 . 3.500 2.383 2.269 2.624 . 0 0 "[ . 1 . 2]" 1
98 1 31 ARG H 1 31 ARG QG 3.000 . 3.500 2.572 2.103 3.130 . 0 0 "[ . 1 . 2]" 1
99 1 31 ARG H 1 31 ARG QD 5.000 . 6.000 4.002 2.575 4.792 . 0 0 "[ . 1 . 2]" 1
100 1 31 ARG HA 1 31 ARG QG 3.000 . 3.500 2.327 2.011 3.200 . 0 0 "[ . 1 . 2]" 1
101 1 31 ARG HA 1 31 ARG QD 4.000 . 4.750 3.636 2.437 4.227 . 0 0 "[ . 1 . 2]" 1
102 1 32 LEU H 1 32 LEU HA 3.000 . 3.500 2.944 2.937 2.948 . 0 0 "[ . 1 . 2]" 1
103 1 32 LEU H 1 32 LEU HG 4.000 . 4.750 2.341 1.813 3.827 . 0 0 "[ . 1 . 2]" 1
104 1 32 LEU H 1 32 LEU QB 3.000 . 3.500 3.139 3.117 3.176 . 0 0 "[ . 1 . 2]" 1
105 1 32 LEU H 1 32 LEU QD 4.000 . 4.750 2.539 1.732 2.918 0.068 13 0 "[ . 1 . 2]" 1
106 1 32 LEU HA 1 32 LEU HG 4.000 . 4.750 3.732 3.550 4.241 . 0 0 "[ . 1 . 2]" 1
107 1 32 LEU HA 1 32 LEU QD 4.000 . 4.750 3.280 2.938 3.458 . 0 0 "[ . 1 . 2]" 1
108 1 33 VAL H 1 33 VAL HA 3.000 . 3.500 2.920 2.904 2.931 . 0 0 "[ . 1 . 2]" 1
109 1 33 VAL H 1 33 VAL HB 3.000 . 3.500 2.429 2.398 2.466 . 0 0 "[ . 1 . 2]" 1
110 1 33 VAL H 1 33 VAL MG1 4.000 . 4.750 3.756 3.735 3.774 . 0 0 "[ . 1 . 2]" 1
111 1 33 VAL H 1 33 VAL MG2 3.000 . 3.500 2.622 2.470 2.703 . 0 0 "[ . 1 . 2]" 1
112 1 33 VAL HA 1 33 VAL HB 3.000 . 3.500 3.018 3.014 3.021 . 0 0 "[ . 1 . 2]" 1
113 1 33 VAL HA 1 33 VAL MG1 3.000 . 3.500 2.481 2.437 2.519 . 0 0 "[ . 1 . 2]" 1
114 1 33 VAL HA 1 33 VAL MG2 3.000 . 3.500 2.309 2.277 2.340 . 0 0 "[ . 1 . 2]" 1
115 1 34 GLN H 1 34 GLN HA 3.000 . 3.500 2.860 2.859 2.862 . 0 0 "[ . 1 . 2]" 1
116 1 34 GLN H 1 34 GLN QB 3.000 . 3.500 2.122 2.061 2.266 . 0 0 "[ . 1 . 2]" 1
117 1 34 GLN H 1 34 GLN QG 4.000 . 4.750 3.751 3.311 4.008 . 0 0 "[ . 1 . 2]" 1
118 1 34 GLN HA 1 34 GLN QG 3.000 . 3.500 2.119 2.000 2.334 . 0 0 "[ . 1 . 2]" 1
119 1 34 GLN HA 1 34 GLN QE 5.000 . 6.000 3.966 2.402 4.740 . 0 0 "[ . 1 . 2]" 1
120 1 34 GLN QB 1 34 GLN QE 3.000 . 3.500 2.409 1.962 2.748 . 0 0 "[ . 1 . 2]" 1
121 1 36 THR H 1 36 THR HB 3.000 . 3.500 3.429 2.820 3.586 0.086 4 0 "[ . 1 . 2]" 1
122 1 36 THR H 1 36 THR MG 4.000 . 4.750 3.106 2.059 3.836 . 0 0 "[ . 1 . 2]" 1
123 1 36 THR HA 1 36 THR HB 3.000 . 3.500 2.655 2.396 2.892 . 0 0 "[ . 1 . 2]" 1
124 1 38 LYS H 1 38 LYS QB 3.000 . 3.500 2.508 2.050 3.132 . 0 0 "[ . 1 . 2]" 1
125 1 38 LYS H 1 38 LYS QD 5.000 . 6.000 4.099 2.172 5.149 . 0 0 "[ . 1 . 2]" 1
126 1 38 LYS HA 1 38 LYS QD 4.000 . 4.750 3.357 1.993 4.212 . 0 0 "[ . 1 . 2]" 1
127 1 38 LYS QB 1 38 LYS QD 3.000 . 3.500 2.116 1.973 2.298 . 0 0 "[ . 1 . 2]" 1
128 1 39 ASN HA 1 39 ASN QD 4.000 . 4.750 3.482 2.099 3.981 . 0 0 "[ . 1 . 2]" 1
129 1 41 ARG H 1 41 ARG QB 3.000 . 3.500 2.284 2.066 2.436 . 0 0 "[ . 1 . 2]" 1
130 1 41 ARG H 1 41 ARG QG 4.000 . 4.750 3.860 2.934 4.076 . 0 0 "[ . 1 . 2]" 1
131 1 41 ARG H 1 41 ARG QD 5.000 . 6.000 4.681 4.348 4.939 . 0 0 "[ . 1 . 2]" 1
132 1 42 VAL H 1 42 VAL HA 3.000 . 3.500 2.887 2.862 2.922 . 0 0 "[ . 1 . 2]" 1
133 1 42 VAL H 1 42 VAL HB 3.000 . 3.500 2.607 2.589 2.650 . 0 0 "[ . 1 . 2]" 1
134 1 42 VAL H 1 42 VAL MG2 4.000 . 4.750 2.163 1.965 2.367 . 0 0 "[ . 1 . 2]" 1
135 1 42 VAL HA 1 42 VAL HB 3.000 . 3.500 3.019 3.016 3.021 . 0 0 "[ . 1 . 2]" 1
136 1 42 VAL HA 1 42 VAL MG2 3.000 . 3.500 2.460 2.379 2.510 . 0 0 "[ . 1 . 2]" 1
137 1 43 LEU H 1 43 LEU HB3 4.000 . 4.750 3.742 3.674 3.800 . 0 0 "[ . 1 . 2]" 1
138 1 43 LEU H 1 43 LEU HB2 3.000 . 3.500 2.642 2.506 2.724 . 0 0 "[ . 1 . 2]" 1
139 1 43 LEU H 1 43 LEU HG 3.000 . 3.500 2.870 2.370 3.324 . 0 0 "[ . 1 . 2]" 1
140 1 43 LEU H 1 43 LEU QD 4.000 . 4.750 2.992 2.343 3.340 . 0 0 "[ . 1 . 2]" 1
141 1 43 LEU HA 1 43 LEU HG 4.000 . 4.750 2.745 2.501 3.130 . 0 0 "[ . 1 . 2]" 1
142 1 43 LEU HA 1 43 LEU QD 4.000 . 4.750 2.690 2.206 3.089 . 0 0 "[ . 1 . 2]" 1
143 1 43 LEU HB3 1 43 LEU HG 3.000 . 3.500 2.911 2.724 3.014 . 0 0 "[ . 1 . 2]" 1
144 1 43 LEU HB3 1 43 LEU QD 3.000 . 3.500 2.030 1.944 2.124 . 0 0 "[ . 1 . 2]" 1
145 1 43 LEU HB2 1 43 LEU HG 3.000 . 3.500 2.756 2.543 2.947 . 0 0 "[ . 1 . 2]" 1
146 1 43 LEU HB2 1 43 LEU QD 3.000 . 3.500 2.023 1.926 2.179 . 0 0 "[ . 1 . 2]" 1
147 1 44 LYS H 1 44 LYS HA 3.000 . 3.500 2.748 2.736 2.755 . 0 0 "[ . 1 . 2]" 1
148 1 44 LYS H 1 44 LYS HB3 3.000 . 3.500 3.022 2.899 3.152 . 0 0 "[ . 1 . 2]" 1
149 1 44 LYS H 1 44 LYS HB2 3.000 . 3.500 2.140 2.081 2.206 . 0 0 "[ . 1 . 2]" 1
150 1 44 LYS H 1 44 LYS QG 4.000 . 4.750 3.801 3.560 3.926 . 0 0 "[ . 1 . 2]" 1
151 1 44 LYS HA 1 44 LYS HB3 3.000 . 3.500 2.970 2.935 3.000 . 0 0 "[ . 1 . 2]" 1
152 1 44 LYS HA 1 44 LYS HB2 3.000 . 3.500 2.683 2.613 2.750 . 0 0 "[ . 1 . 2]" 1
153 1 44 LYS HA 1 44 LYS QG 3.000 . 3.500 2.186 2.080 2.267 . 0 0 "[ . 1 . 2]" 1
154 1 44 LYS HB2 1 44 LYS QD 3.000 . 3.500 2.289 1.985 2.798 . 0 0 "[ . 1 . 2]" 1
155 1 44 LYS QE 1 44 LYS QG 3.000 . 3.500 2.110 1.945 2.218 . 0 0 "[ . 1 . 2]" 1
156 1 45 GLU H 1 45 GLU HA 3.000 . 3.500 2.798 2.782 2.812 . 0 0 "[ . 1 . 2]" 1
157 1 45 GLU H 1 45 GLU QB 3.000 . 3.500 2.571 2.464 2.653 . 0 0 "[ . 1 . 2]" 1
158 1 45 GLU H 1 45 GLU QG 3.000 . 3.500 2.053 1.968 2.376 . 0 0 "[ . 1 . 2]" 1
159 1 45 GLU HA 1 45 GLU QG 3.000 . 3.500 2.713 2.359 3.094 . 0 0 "[ . 1 . 2]" 1
160 1 46 ASP H 1 46 ASP HA 3.000 . 3.500 2.825 2.818 2.830 . 0 0 "[ . 1 . 2]" 1
161 1 46 ASP H 1 46 ASP HB3 3.000 . 3.500 3.553 3.531 3.566 0.066 19 0 "[ . 1 . 2]" 1
162 1 46 ASP H 1 46 ASP HB2 3.000 . 3.500 2.335 2.259 2.422 . 0 0 "[ . 1 . 2]" 1
163 1 46 ASP HA 1 46 ASP HB3 3.000 . 3.500 2.554 2.494 2.611 . 0 0 "[ . 1 . 2]" 1
164 1 46 ASP HA 1 46 ASP HB2 3.000 . 3.500 3.014 3.001 3.023 . 0 0 "[ . 1 . 2]" 1
165 1 47 ILE H 1 47 ILE HA 3.000 . 3.500 2.826 2.815 2.833 . 0 0 "[ . 1 . 2]" 1
166 1 47 ILE H 1 47 ILE HB 4.000 . 4.750 2.577 2.532 2.611 . 0 0 "[ . 1 . 2]" 1
167 1 47 ILE H 1 47 ILE MG 4.000 . 4.750 3.771 3.765 3.773 . 0 0 "[ . 1 . 2]" 1
168 1 47 ILE H 1 47 ILE MD 5.000 . 6.000 3.525 3.400 3.643 . 0 0 "[ . 1 . 2]" 1
169 1 47 ILE H 1 47 ILE QG 3.000 . 3.500 1.985 1.937 2.082 . 0 0 "[ . 1 . 2]" 1
170 1 47 ILE HA 1 47 ILE HB 3.000 . 3.500 3.019 3.017 3.023 . 0 0 "[ . 1 . 2]" 1
171 1 47 ILE HA 1 47 ILE MG 3.000 . 3.500 2.297 2.275 2.328 . 0 0 "[ . 1 . 2]" 1
172 1 47 ILE HA 1 47 ILE MD 4.000 . 4.750 2.343 2.176 2.471 . 0 0 "[ . 1 . 2]" 1
173 1 47 ILE HA 1 47 ILE QG 3.000 . 3.500 2.764 2.667 2.837 . 0 0 "[ . 1 . 2]" 1
174 1 47 ILE MD 1 47 ILE MG 3.000 . 3.500 1.914 1.846 1.994 . 0 0 "[ . 1 . 2]" 1
175 1 47 ILE QG 1 47 ILE MG 3.000 . 3.500 2.441 2.381 2.506 . 0 0 "[ . 1 . 2]" 1
176 1 48 ASP H 1 48 ASP HA 3.000 . 3.500 2.798 2.791 2.813 . 0 0 "[ . 1 . 2]" 1
177 1 48 ASP H 1 48 ASP QB 3.000 . 3.500 2.242 2.048 2.467 . 0 0 "[ . 1 . 2]" 1
178 1 49 ALA H 1 49 ALA HA 3.000 . 3.500 2.817 2.800 2.837 . 0 0 "[ . 1 . 2]" 1
179 1 49 ALA H 1 49 ALA MB 3.000 . 3.500 2.133 2.044 2.236 . 0 0 "[ . 1 . 2]" 1
180 1 50 PHE H 1 50 PHE HA 3.000 . 3.500 2.808 2.799 2.839 . 0 0 "[ . 1 . 2]" 1
181 1 50 PHE H 1 50 PHE HB3 3.000 . 3.500 2.494 2.461 2.520 . 0 0 "[ . 1 . 2]" 1
182 1 50 PHE H 1 50 PHE HB2 3.000 . 3.500 2.565 2.539 2.598 . 0 0 "[ . 1 . 2]" 1
183 1 50 PHE H 1 50 PHE QD 4.000 . 4.750 4.180 4.172 4.186 . 0 0 "[ . 1 . 2]" 1
184 1 50 PHE HA 1 50 PHE HB3 3.000 . 3.500 3.027 3.025 3.029 . 0 0 "[ . 1 . 2]" 1
185 1 50 PHE HA 1 50 PHE HB2 3.000 . 3.500 2.445 2.426 2.459 . 0 0 "[ . 1 . 2]" 1
186 1 50 PHE HA 1 50 PHE QD 4.000 . 4.750 3.100 2.989 3.202 . 0 0 "[ . 1 . 2]" 1
187 1 50 PHE HA 1 50 PHE QE 5.000 . 6.000 4.759 4.706 4.807 . 0 0 "[ . 1 . 2]" 1
188 1 50 PHE HB3 1 50 PHE QD 3.000 . 3.500 2.460 2.401 2.531 . 0 0 "[ . 1 . 2]" 1
189 1 50 PHE HB2 1 50 PHE QD 3.000 . 3.500 2.329 2.290 2.371 . 0 0 "[ . 1 . 2]" 1
190 1 51 LEU H 1 51 LEU HA 3.000 . 3.500 2.870 2.847 2.938 . 0 0 "[ . 1 . 2]" 1
191 1 51 LEU H 1 51 LEU HG 3.000 . 3.500 2.601 2.416 2.887 . 0 0 "[ . 1 . 2]" 1
192 1 51 LEU H 1 51 LEU QB 3.000 . 3.500 2.355 2.268 2.486 . 0 0 "[ . 1 . 2]" 1
193 1 51 LEU H 1 51 LEU QD 4.000 . 4.750 3.162 2.950 3.304 . 0 0 "[ . 1 . 2]" 1
194 1 51 LEU HA 1 51 LEU HG 3.000 . 3.500 2.775 2.675 2.809 . 0 0 "[ . 1 . 2]" 1
195 1 51 LEU HA 1 51 LEU QD 4.000 . 4.750 2.423 2.288 2.714 . 0 0 "[ . 1 . 2]" 1
196 1 52 ALA H 1 52 ALA HA 3.000 . 3.500 2.810 2.276 2.941 . 0 0 "[ . 1 . 2]" 1
197 1 52 ALA H 1 52 ALA MB 3.000 . 3.500 2.283 2.036 2.850 . 0 0 "[ . 1 . 2]" 1
198 1 10 ASN HA 1 11 ARG H 4.000 . 4.750 2.775 2.147 3.573 . 0 0 "[ . 1 . 2]" 1
199 1 10 ASN QB 1 11 ARG H 5.000 . 6.000 3.112 1.989 3.990 . 0 0 "[ . 1 . 2]" 1
200 1 11 ARG H 1 12 ARG H 5.000 . 6.000 4.216 3.121 4.635 . 0 0 "[ . 1 . 2]" 1
201 1 11 ARG HA 1 12 ARG H 2.500 . 2.800 2.326 2.147 2.611 . 0 0 "[ . 1 . 2]" 1
202 1 11 ARG QG 1 12 ARG H 4.000 . 4.750 3.389 1.976 4.192 . 0 0 "[ . 1 . 2]" 1
203 1 12 ARG HA 1 13 VAL H 2.500 . 2.800 2.442 2.143 2.647 . 0 0 "[ . 1 . 2]" 1
204 1 12 ARG HA 1 13 VAL MG2 5.000 . 6.000 3.304 3.060 3.636 . 0 0 "[ . 1 . 2]" 1
205 1 12 ARG QB 1 13 VAL H 4.000 . 4.750 2.629 1.986 3.795 . 0 0 "[ . 1 . 2]" 1
206 1 12 ARG QG 1 13 VAL H 4.000 . 4.750 3.092 1.977 4.233 . 0 0 "[ . 1 . 2]" 1
207 1 12 ARG QD 1 13 VAL H 5.000 . 6.000 3.924 2.662 4.851 . 0 0 "[ . 1 . 2]" 1
208 1 13 VAL H 1 14 ILE H 5.000 . 6.000 4.492 4.215 4.609 . 0 0 "[ . 1 . 2]" 1
209 1 13 VAL HA 1 14 ILE H 2.500 . 2.800 2.281 2.138 2.384 . 0 0 "[ . 1 . 2]" 1
210 1 13 VAL HB 1 14 ILE H 4.000 . 4.750 3.737 3.473 4.263 . 0 0 "[ . 1 . 2]" 1
211 1 13 VAL MG1 1 14 ILE H 4.000 . 4.750 2.095 1.882 2.885 . 0 0 "[ . 1 . 2]" 1
212 1 13 VAL MG2 1 14 ILE H 5.000 . 6.000 3.964 3.871 4.164 . 0 0 "[ . 1 . 2]" 1
213 1 14 ILE H 1 15 ALA H 5.000 . 6.000 3.623 3.208 3.777 . 0 0 "[ . 1 . 2]" 1
214 1 14 ILE H 1 15 ALA MB 5.000 . 6.000 4.189 3.985 4.404 . 0 0 "[ . 1 . 2]" 1
215 1 14 ILE HA 1 15 ALA H 2.500 . 2.800 2.507 2.438 2.681 . 0 0 "[ . 1 . 2]" 1
216 1 14 ILE HA 1 15 ALA MB 5.000 . 6.000 4.374 4.324 4.473 . 0 0 "[ . 1 . 2]" 1
217 1 14 ILE MG 1 15 ALA H 4.000 . 4.750 3.798 3.684 3.954 . 0 0 "[ . 1 . 2]" 1
218 1 14 ILE QG 1 15 ALA H 5.000 . 6.000 4.502 4.439 4.799 . 0 0 "[ . 1 . 2]" 1
219 1 15 ALA H 1 16 MET H 5.000 . 6.000 4.431 4.349 4.538 . 0 0 "[ . 1 . 2]" 1
220 1 15 ALA HA 1 16 MET H 3.000 . 3.500 2.465 2.217 2.712 . 0 0 "[ . 1 . 2]" 1
221 1 15 ALA MB 1 16 MET H 5.000 . 6.000 2.433 2.017 2.910 . 0 0 "[ . 1 . 2]" 1
222 1 17 PRO HA 1 18 SER H 5.000 . 6.000 3.524 3.458 3.575 . 0 0 "[ . 1 . 2]" 1
223 1 18 SER HA 1 19 VAL H 4.000 . 4.750 3.540 3.518 3.559 . 0 0 "[ . 1 . 2]" 1
224 1 19 VAL H 1 20 ARG H 3.000 . 3.500 2.691 2.641 2.732 . 0 0 "[ . 1 . 2]" 1
225 1 19 VAL HA 1 20 ARG H 5.000 . 6.000 3.521 3.501 3.545 . 0 0 "[ . 1 . 2]" 1
226 1 19 VAL HB 1 20 ARG H 3.000 . 3.500 2.783 2.649 2.877 . 0 0 "[ . 1 . 2]" 1
227 1 19 VAL MG1 1 20 ARG H 4.000 . 4.750 3.612 3.451 3.683 . 0 0 "[ . 1 . 2]" 1
228 1 19 VAL MG2 1 20 ARG H 5.000 . 6.000 3.879 3.810 3.926 . 0 0 "[ . 1 . 2]" 1
229 1 20 ARG H 1 21 LYS H 3.000 . 3.500 2.683 2.631 2.723 . 0 0 "[ . 1 . 2]" 1
230 1 20 ARG HA 1 21 LYS H 4.000 . 4.750 3.556 3.535 3.565 . 0 0 "[ . 1 . 2]" 1
231 1 21 LYS H 1 22 TYR H 3.000 . 3.500 2.610 2.530 2.679 . 0 0 "[ . 1 . 2]" 1
232 1 21 LYS HA 1 22 TYR H 4.000 . 4.750 3.481 3.463 3.504 . 0 0 "[ . 1 . 2]" 1
233 1 21 LYS QB 1 22 TYR H 3.000 . 3.500 2.878 2.645 3.004 . 0 0 "[ . 1 . 2]" 1
234 1 21 LYS QG 1 22 TYR H 3.000 . 3.500 3.141 3.129 3.163 . 0 0 "[ . 1 . 2]" 1
235 1 21 LYS QD 1 22 TYR H 5.000 . 6.000 4.718 4.418 5.071 . 0 0 "[ . 1 . 2]" 1
236 1 22 TYR H 1 23 ALA H 3.000 . 3.500 2.898 2.851 3.000 . 0 0 "[ . 1 . 2]" 1
237 1 22 TYR HA 1 23 ALA H 3.000 . 3.500 3.553 3.536 3.556 0.056 2 0 "[ . 1 . 2]" 1
238 1 22 TYR HB3 1 23 ALA H 3.000 . 3.500 2.048 2.013 2.103 . 0 0 "[ . 1 . 2]" 1
239 1 22 TYR HB2 1 23 ALA H 3.000 . 3.500 3.453 3.416 3.564 0.064 7 0 "[ . 1 . 2]" 1
240 1 22 TYR QD 1 23 ALA H 4.000 . 4.750 3.732 3.701 3.813 . 0 0 "[ . 1 . 2]" 1
241 1 22 TYR QD 1 23 ALA MB 5.000 . 6.000 4.471 4.465 4.486 . 0 0 "[ . 1 . 2]" 1
242 1 23 ALA H 1 24 ARG H 3.000 . 3.500 2.664 2.628 2.696 . 0 0 "[ . 1 . 2]" 1
243 1 23 ALA HA 1 24 ARG H 3.000 . 3.500 3.469 3.439 3.497 . 0 0 "[ . 1 . 2]" 1
244 1 23 ALA MB 1 24 ARG H 4.000 . 4.750 2.924 2.812 3.020 . 0 0 "[ . 1 . 2]" 1
245 1 24 ARG H 1 25 GLU H 3.000 . 3.500 2.373 2.337 2.429 . 0 0 "[ . 1 . 2]" 1
246 1 24 ARG HA 1 25 GLU H 3.000 . 3.500 3.469 3.432 3.497 . 0 0 "[ . 1 . 2]" 1
247 1 24 ARG QB 1 25 GLU H 3.000 . 3.500 2.892 2.771 3.052 . 0 0 "[ . 1 . 2]" 1
248 1 24 ARG QG 1 25 GLU H 4.000 . 4.750 4.202 4.041 4.249 . 0 0 "[ . 1 . 2]" 1
249 1 25 GLU H 1 26 LYS H 3.000 . 3.500 2.301 2.227 2.347 . 0 0 "[ . 1 . 2]" 1
250 1 25 GLU HA 1 26 LYS H 4.000 . 4.750 3.471 3.445 3.484 . 0 0 "[ . 1 . 2]" 1
251 1 25 GLU QB 1 26 LYS H 3.000 . 3.500 2.913 2.834 3.014 . 0 0 "[ . 1 . 2]" 1
252 1 25 GLU QG 1 26 LYS H 5.000 . 6.000 4.382 4.219 4.512 . 0 0 "[ . 1 . 2]" 1
253 1 26 LYS H 1 27 GLY H 3.000 . 3.500 2.180 2.104 2.262 . 0 0 "[ . 1 . 2]" 1
254 1 26 LYS HA 1 27 GLY H 3.000 . 3.500 3.469 3.452 3.482 . 0 0 "[ . 1 . 2]" 1
255 1 26 LYS QB 1 27 GLY H 3.000 . 3.500 2.990 2.865 3.078 . 0 0 "[ . 1 . 2]" 1
256 1 27 GLY H 1 28 VAL H 3.000 . 3.500 2.192 2.144 2.241 . 0 0 "[ . 1 . 2]" 1
257 1 27 GLY QA 1 28 VAL H 3.000 . 3.500 2.902 2.883 2.922 . 0 0 "[ . 1 . 2]" 1
258 1 28 VAL HA 1 29 ASP H 2.500 . 2.800 2.364 2.326 2.397 . 0 0 "[ . 1 . 2]" 1
259 1 28 VAL HA 1 29 ASP HB3 4.000 . 4.750 4.694 4.625 4.756 0.006 9 0 "[ . 1 . 2]" 1
260 1 28 VAL HA 1 29 ASP HB2 4.000 . 4.750 4.355 4.257 4.477 . 0 0 "[ . 1 . 2]" 1
261 1 28 VAL HB 1 29 ASP H 4.000 . 4.750 3.614 3.519 3.725 . 0 0 "[ . 1 . 2]" 1
262 1 28 VAL MG1 1 29 ASP H 4.000 . 4.750 1.908 1.875 1.992 . 0 0 "[ . 1 . 2]" 1
263 1 28 VAL MG2 1 29 ASP H 4.000 . 4.750 3.844 3.789 3.886 . 0 0 "[ . 1 . 2]" 1
264 1 29 ASP HA 1 30 ILE H 2.500 . 2.800 2.155 2.131 2.177 . 0 0 "[ . 1 . 2]" 1
265 1 29 ASP HA 1 30 ILE MG 5.000 . 6.000 4.032 3.973 4.098 . 0 0 "[ . 1 . 2]" 1
266 1 29 ASP HA 1 30 ILE QG 4.000 . 4.750 3.435 3.316 3.532 . 0 0 "[ . 1 . 2]" 1
267 1 29 ASP HB3 1 30 ILE H 5.000 . 6.000 4.369 4.321 4.425 . 0 0 "[ . 1 . 2]" 1
268 1 29 ASP HB2 1 30 ILE H 4.000 . 4.750 4.446 4.392 4.515 . 0 0 "[ . 1 . 2]" 1
269 1 30 ILE H 1 31 ARG H 4.000 . 4.750 2.823 2.767 2.900 . 0 0 "[ . 1 . 2]" 1
270 1 30 ILE HA 1 31 ARG H 4.000 . 4.750 3.513 3.486 3.541 . 0 0 "[ . 1 . 2]" 1
271 1 30 ILE HB 1 31 ARG H 3.000 . 3.500 3.517 3.385 3.557 0.057 13 0 "[ . 1 . 2]" 1
272 1 30 ILE MG 1 31 ARG H 4.000 . 4.750 3.980 3.941 4.010 . 0 0 "[ . 1 . 2]" 1
273 1 30 ILE QG 1 31 ARG H 5.000 . 6.000 1.989 1.879 2.110 . 0 0 "[ . 1 . 2]" 1
274 1 31 ARG H 1 32 LEU H 3.000 . 3.500 2.872 2.841 2.923 . 0 0 "[ . 1 . 2]" 1
275 1 31 ARG H 1 32 LEU HG 5.000 . 6.000 4.524 3.945 6.032 0.032 9 0 "[ . 1 . 2]" 1
276 1 31 ARG H 1 32 LEU QD 5.000 . 6.000 3.891 2.931 4.423 . 0 0 "[ . 1 . 2]" 1
277 1 31 ARG HA 1 32 LEU H 4.000 . 4.750 3.483 3.469 3.501 . 0 0 "[ . 1 . 2]" 1
278 1 32 LEU H 1 33 VAL H 3.000 . 3.500 2.513 2.426 2.548 . 0 0 "[ . 1 . 2]" 1
279 1 32 LEU H 1 33 VAL MG2 5.000 . 6.000 3.153 3.017 3.269 . 0 0 "[ . 1 . 2]" 1
280 1 32 LEU HA 1 33 VAL H 4.000 . 4.750 2.964 2.903 3.036 . 0 0 "[ . 1 . 2]" 1
281 1 32 LEU HA 1 33 VAL MG2 5.000 . 6.000 4.737 4.655 4.804 . 0 0 "[ . 1 . 2]" 1
282 1 32 LEU HG 1 33 VAL H 5.000 . 6.000 4.377 3.876 5.619 . 0 0 "[ . 1 . 2]" 1
283 1 32 LEU QB 1 33 VAL H 4.000 . 4.750 3.981 3.953 3.994 . 0 0 "[ . 1 . 2]" 1
284 1 32 LEU QD 1 33 VAL H 5.000 . 6.000 3.740 3.072 4.264 . 0 0 "[ . 1 . 2]" 1
285 1 33 VAL H 1 34 GLN H 5.000 . 6.000 4.576 4.559 4.599 . 0 0 "[ . 1 . 2]" 1
286 1 33 VAL HA 1 34 GLN H 2.500 . 2.800 2.322 2.273 2.360 . 0 0 "[ . 1 . 2]" 1
287 1 33 VAL HA 1 34 GLN HA 4.000 . 4.750 4.313 4.308 4.320 . 0 0 "[ . 1 . 2]" 1
288 1 33 VAL HA 1 34 GLN QB 4.000 . 4.750 4.104 4.043 4.221 . 0 0 "[ . 1 . 2]" 1
289 1 33 VAL HB 1 34 GLN H 4.000 . 4.750 3.854 3.776 3.959 . 0 0 "[ . 1 . 2]" 1
290 1 33 VAL MG1 1 34 GLN H 4.000 . 4.750 1.965 1.892 2.092 . 0 0 "[ . 1 . 2]" 1
291 1 33 VAL MG1 1 34 GLN QB 5.000 . 6.000 3.219 3.115 3.344 . 0 0 "[ . 1 . 2]" 1
292 1 33 VAL MG2 1 34 GLN H 5.000 . 6.000 3.631 3.568 3.729 . 0 0 "[ . 1 . 2]" 1
293 1 34 GLN H 1 35 GLY H 5.000 . 6.000 3.922 3.798 3.967 . 0 0 "[ . 1 . 2]" 1
294 1 34 GLN HA 1 35 GLY H 2.500 . 2.800 2.368 2.342 2.442 . 0 0 "[ . 1 . 2]" 1
295 1 34 GLN QB 1 35 GLY H 4.000 . 4.750 3.964 3.903 4.042 . 0 0 "[ . 1 . 2]" 1
296 1 34 GLN QG 1 35 GLY H 4.000 . 4.750 4.023 3.758 4.228 . 0 0 "[ . 1 . 2]" 1
297 1 35 GLY H 1 36 THR H 5.000 . 6.000 4.417 4.153 4.581 . 0 0 "[ . 1 . 2]" 1
298 1 35 GLY QA 1 36 THR H 3.000 . 3.500 2.132 2.110 2.237 . 0 0 "[ . 1 . 2]" 1
299 1 36 THR H 1 37 GLY H 3.000 . 3.500 2.352 2.078 2.759 . 0 0 "[ . 1 . 2]" 1
300 1 36 THR H 1 37 GLY QA 5.000 . 6.000 3.969 3.658 4.231 . 0 0 "[ . 1 . 2]" 1
301 1 36 THR HA 1 37 GLY H 4.000 . 4.750 3.141 2.771 3.476 . 0 0 "[ . 1 . 2]" 1
302 1 36 THR HB 1 37 GLY H 4.000 . 4.750 4.096 3.416 4.653 . 0 0 "[ . 1 . 2]" 1
303 1 36 THR MG 1 37 GLY H 5.000 . 6.000 4.220 3.436 4.487 . 0 0 "[ . 1 . 2]" 1
304 1 37 GLY H 1 38 LYS H 5.000 . 6.000 4.432 4.095 4.644 . 0 0 "[ . 1 . 2]" 1
305 1 37 GLY QA 1 38 LYS H 4.000 . 4.750 2.230 2.137 2.284 . 0 0 "[ . 1 . 2]" 1
306 1 38 LYS HA 1 39 ASN H 4.000 . 4.750 2.584 2.137 3.568 . 0 0 "[ . 1 . 2]" 1
307 1 38 LYS QB 1 39 ASN H 5.000 . 6.000 3.216 1.929 3.973 . 0 0 "[ . 1 . 2]" 1
308 1 38 LYS QG 1 39 ASN QB 4.000 . 4.750 3.181 2.393 3.771 . 0 0 "[ . 1 . 2]" 1
309 1 39 ASN H 1 40 GLY H 5.000 . 6.000 2.775 1.974 3.739 . 0 0 "[ . 1 . 2]" 1
310 1 39 ASN HA 1 40 GLY H 3.000 . 3.500 2.862 2.621 3.552 0.052 15 0 "[ . 1 . 2]" 1
311 1 39 ASN QB 1 40 GLY H 5.000 . 6.000 3.750 2.061 3.950 . 0 0 "[ . 1 . 2]" 1
312 1 40 GLY H 1 41 ARG H 3.000 . 3.500 2.676 2.068 3.022 . 0 0 "[ . 1 . 2]" 1
313 1 40 GLY H 1 41 ARG QB 5.000 . 6.000 4.231 3.403 4.421 . 0 0 "[ . 1 . 2]" 1
314 1 40 GLY QA 1 41 ARG H 3.000 . 3.500 2.644 2.439 2.894 . 0 0 "[ . 1 . 2]" 1
315 1 41 ARG H 1 42 VAL H 5.000 . 6.000 4.472 4.369 4.548 . 0 0 "[ . 1 . 2]" 1
316 1 41 ARG HA 1 42 VAL H 3.000 . 3.500 2.156 2.138 2.205 . 0 0 "[ . 1 . 2]" 1
317 1 41 ARG QB 1 42 VAL H 4.000 . 4.750 3.641 3.350 3.813 . 0 0 "[ . 1 . 2]" 1
318 1 41 ARG QG 1 42 VAL H 4.000 . 4.750 2.879 2.401 3.894 . 0 0 "[ . 1 . 2]" 1
319 1 42 VAL H 1 43 LEU H 5.000 . 6.000 4.414 4.164 4.541 . 0 0 "[ . 1 . 2]" 1
320 1 42 VAL HA 1 43 LEU H 2.500 . 2.800 2.153 2.140 2.237 . 0 0 "[ . 1 . 2]" 1
321 1 42 VAL HB 1 43 LEU H 5.000 . 6.000 4.234 4.087 4.417 . 0 0 "[ . 1 . 2]" 1
322 1 42 VAL MG1 1 43 LEU H 4.000 . 4.750 2.868 2.458 3.430 . 0 0 "[ . 1 . 2]" 1
323 1 42 VAL MG2 1 43 LEU H 5.000 . 6.000 4.198 4.121 4.314 . 0 0 "[ . 1 . 2]" 1
324 1 43 LEU H 1 44 LYS H 5.000 . 6.000 4.473 4.452 4.533 . 0 0 "[ . 1 . 2]" 1
325 1 43 LEU HA 1 44 LYS H 3.000 . 3.500 2.530 2.482 2.566 . 0 0 "[ . 1 . 2]" 1
326 1 43 LEU QD 1 44 LYS H 4.000 . 4.750 3.415 3.186 3.524 . 0 0 "[ . 1 . 2]" 1
327 1 44 LYS H 1 45 GLU H 3.000 . 3.500 2.870 2.838 2.949 . 0 0 "[ . 1 . 2]" 1
328 1 44 LYS HA 1 45 GLU H 4.000 . 4.750 3.546 3.538 3.560 . 0 0 "[ . 1 . 2]" 1
329 1 44 LYS HB3 1 45 GLU H 3.000 . 3.500 2.538 2.367 2.649 . 0 0 "[ . 1 . 2]" 1
330 1 44 LYS HB3 1 45 GLU QG 4.000 . 4.750 3.162 2.932 3.520 . 0 0 "[ . 1 . 2]" 1
331 1 44 LYS HB2 1 45 GLU H 3.000 . 3.500 3.437 3.263 3.509 0.009 19 0 "[ . 1 . 2]" 1
332 1 44 LYS HB2 1 45 GLU QG 5.000 . 6.000 4.362 4.142 4.567 . 0 0 "[ . 1 . 2]" 1
333 1 44 LYS QG 1 45 GLU H 4.000 . 4.750 4.106 3.875 4.245 . 0 0 "[ . 1 . 2]" 1
334 1 44 LYS QD 1 45 GLU H 5.000 . 6.000 4.773 4.363 5.027 . 0 0 "[ . 1 . 2]" 1
335 1 45 GLU H 1 46 ASP H 3.000 . 3.500 2.674 2.632 2.732 . 0 0 "[ . 1 . 2]" 1
336 1 45 GLU HA 1 46 ASP H 3.000 . 3.500 3.511 3.506 3.524 0.024 7 0 "[ . 1 . 2]" 1
337 1 45 GLU QB 1 46 ASP H 3.000 . 3.500 2.692 2.562 2.729 . 0 0 "[ . 1 . 2]" 1
338 1 45 GLU QG 1 46 ASP H 4.000 . 4.750 3.920 3.816 4.064 . 0 0 "[ . 1 . 2]" 1
339 1 46 ASP HA 1 47 ILE H 4.000 . 4.750 3.525 3.511 3.543 . 0 0 "[ . 1 . 2]" 1
340 1 46 ASP HB2 1 47 ILE H 4.000 . 4.750 2.752 2.573 2.801 . 0 0 "[ . 1 . 2]" 1
341 1 47 ILE H 1 48 ASP H 3.000 . 3.500 2.683 2.632 2.724 . 0 0 "[ . 1 . 2]" 1
342 1 47 ILE HA 1 48 ASP H 4.000 . 4.750 3.556 3.525 3.562 . 0 0 "[ . 1 . 2]" 1
343 1 47 ILE MG 1 48 ASP H 4.000 . 4.750 3.389 3.309 3.580 . 0 0 "[ . 1 . 2]" 1
344 1 47 ILE MG 1 48 ASP HA 5.000 . 6.000 3.523 3.448 3.619 . 0 0 "[ . 1 . 2]" 1
345 1 47 ILE MD 1 48 ASP H 5.000 . 6.000 4.749 4.710 4.814 . 0 0 "[ . 1 . 2]" 1
346 1 47 ILE QG 1 48 ASP H 4.000 . 4.750 3.813 3.752 3.889 . 0 0 "[ . 1 . 2]" 1
347 1 48 ASP H 1 49 ALA H 3.000 . 3.500 2.700 2.641 2.729 . 0 0 "[ . 1 . 2]" 1
348 1 48 ASP HA 1 49 ALA H 4.000 . 4.750 3.529 3.511 3.546 . 0 0 "[ . 1 . 2]" 1
349 1 48 ASP QB 1 49 ALA H 3.000 . 3.500 2.664 2.495 2.776 . 0 0 "[ . 1 . 2]" 1
350 1 48 ASP QB 1 49 ALA MB 5.000 . 6.000 3.851 3.801 3.926 . 0 0 "[ . 1 . 2]" 1
351 1 49 ALA H 1 50 PHE H 3.000 . 3.500 2.652 2.567 2.705 . 0 0 "[ . 1 . 2]" 1
352 1 49 ALA H 1 50 PHE HB2 5.000 . 6.000 5.067 4.978 5.151 . 0 0 "[ . 1 . 2]" 1
353 1 49 ALA HA 1 50 PHE H 4.000 . 4.750 3.534 3.524 3.539 . 0 0 "[ . 1 . 2]" 1
354 1 49 ALA MB 1 50 PHE H 4.000 . 4.750 2.602 2.521 2.700 . 0 0 "[ . 1 . 2]" 1
355 1 50 PHE H 1 51 LEU H 3.000 . 3.500 2.722 2.535 2.788 . 0 0 "[ . 1 . 2]" 1
356 1 50 PHE H 1 51 LEU HG 5.000 . 6.000 4.881 4.682 5.068 . 0 0 "[ . 1 . 2]" 1
357 1 50 PHE H 1 51 LEU QB 5.000 . 6.000 4.701 4.594 4.774 . 0 0 "[ . 1 . 2]" 1
358 1 50 PHE HA 1 51 LEU H 4.000 . 4.750 3.548 3.494 3.561 . 0 0 "[ . 1 . 2]" 1
359 1 50 PHE HB3 1 51 LEU H 3.000 . 3.500 2.490 2.365 2.842 . 0 0 "[ . 1 . 2]" 1
360 1 50 PHE HB2 1 51 LEU H 4.000 . 4.750 3.838 3.764 4.014 . 0 0 "[ . 1 . 2]" 1
361 1 50 PHE QD 1 51 LEU H 4.000 . 4.750 3.071 2.917 3.507 . 0 0 "[ . 1 . 2]" 1
362 1 50 PHE QD 1 51 LEU HA 4.000 . 4.750 2.888 2.612 3.195 . 0 0 "[ . 1 . 2]" 1
363 1 50 PHE QD 1 51 LEU HG 4.000 . 4.750 2.298 1.911 2.532 . 0 0 "[ . 1 . 2]" 1
364 1 50 PHE QD 1 51 LEU QB 5.000 . 6.000 3.960 3.891 4.018 . 0 0 "[ . 1 . 2]" 1
365 1 50 PHE QD 1 51 LEU QD 4.000 . 4.750 2.697 2.651 2.781 . 0 0 "[ . 1 . 2]" 1
366 1 50 PHE QE 1 51 LEU HA 5.000 . 6.000 4.260 4.032 4.678 . 0 0 "[ . 1 . 2]" 1
367 1 50 PHE QE 1 51 LEU HG 4.000 . 4.750 4.149 3.806 4.234 . 0 0 "[ . 1 . 2]" 1
368 1 50 PHE QE 1 51 LEU QD 4.000 . 4.750 3.139 3.120 3.149 . 0 0 "[ . 1 . 2]" 1
369 1 51 LEU H 1 52 ALA H 3.000 . 3.500 2.702 2.454 2.985 . 0 0 "[ . 1 . 2]" 1
370 1 51 LEU HA 1 52 ALA H 3.000 . 3.500 3.519 3.485 3.551 0.051 15 0 "[ . 1 . 2]" 1
371 1 51 LEU HG 1 52 ALA H 4.000 . 4.750 4.418 4.261 4.611 . 0 0 "[ . 1 . 2]" 1
372 1 51 LEU QB 1 52 ALA H 3.000 . 3.500 2.324 1.838 2.808 . 0 0 "[ . 1 . 2]" 1
373 1 52 ALA HA 1 53 GLY H 3.000 . 3.500 2.569 2.146 3.546 0.046 13 0 "[ . 1 . 2]" 1
374 1 53 GLY H 1 54 GLY H 3.000 . 3.500 2.628 1.996 3.392 . 0 0 "[ . 1 . 2]" 1
375 1 53 GLY QA 1 54 GLY H 4.000 . 4.750 2.570 2.147 2.824 . 0 0 "[ . 1 . 2]" 1
376 1 13 VAL MG1 1 15 ALA H 5.000 . 6.000 3.213 2.106 3.791 . 0 0 "[ . 1 . 2]" 1
377 1 13 VAL MG1 1 15 ALA MB 4.000 . 4.750 2.439 1.875 3.065 . 0 0 "[ . 1 . 2]" 1
378 1 13 VAL MG2 1 15 ALA MB 5.000 . 6.000 4.155 4.065 4.165 . 0 0 "[ . 1 . 2]" 1
379 1 19 VAL H 1 21 LYS H 5.000 . 6.000 4.400 4.215 4.517 . 0 0 "[ . 1 . 2]" 1
380 1 19 VAL HA 1 21 LYS H 5.000 . 6.000 4.631 4.407 4.765 . 0 0 "[ . 1 . 2]" 1
381 1 21 LYS H 1 23 ALA H 5.000 . 6.000 4.645 4.509 4.716 . 0 0 "[ . 1 . 2]" 1
382 1 22 TYR HA 1 24 ARG H 5.000 . 6.000 4.156 4.038 4.266 . 0 0 "[ . 1 . 2]" 1
383 1 24 ARG HA 1 26 LYS H 5.000 . 6.000 4.245 4.146 4.314 . 0 0 "[ . 1 . 2]" 1
384 1 25 GLU H 1 27 GLY H 5.000 . 6.000 3.675 3.625 3.774 . 0 0 "[ . 1 . 2]" 1
385 1 25 GLU HA 1 27 GLY H 4.000 . 4.750 4.384 4.297 4.486 . 0 0 "[ . 1 . 2]" 1
386 1 26 LYS H 1 28 VAL H 4.000 . 4.750 3.571 3.457 3.664 . 0 0 "[ . 1 . 2]" 1
387 1 28 VAL MG1 1 30 ILE H 5.000 . 6.000 3.914 3.803 3.978 . 0 0 "[ . 1 . 2]" 1
388 1 28 VAL MG1 1 30 ILE HA 4.000 . 4.750 3.717 3.605 3.821 . 0 0 "[ . 1 . 2]" 1
389 1 29 ASP HA 1 31 ARG H 4.000 . 4.750 3.758 3.662 3.857 . 0 0 "[ . 1 . 2]" 1
390 1 29 ASP HB3 1 31 ARG H 5.000 . 6.000 4.296 4.009 4.602 . 0 0 "[ . 1 . 2]" 1
391 1 30 ILE H 1 32 LEU H 5.000 . 6.000 4.315 4.248 4.461 . 0 0 "[ . 1 . 2]" 1
392 1 30 ILE HA 1 32 LEU H 4.000 . 4.750 3.734 3.693 3.827 . 0 0 "[ . 1 . 2]" 1
393 1 31 ARG H 1 33 VAL H 5.000 . 6.000 4.377 4.320 4.489 . 0 0 "[ . 1 . 2]" 1
394 1 31 ARG HA 1 33 VAL H 4.000 . 4.750 4.076 4.024 4.199 . 0 0 "[ . 1 . 2]" 1
395 1 33 VAL MG1 1 35 GLY H 5.000 . 6.000 3.452 3.290 3.575 . 0 0 "[ . 1 . 2]" 1
396 1 34 GLN QB 1 36 THR MG 5.000 . 6.000 3.927 2.778 4.455 . 0 0 "[ . 1 . 2]" 1
397 1 34 GLN QG 1 36 THR MG 5.000 . 6.000 3.778 2.497 4.453 . 0 0 "[ . 1 . 2]" 1
398 1 35 GLY QA 1 37 GLY H 4.000 . 4.750 3.301 3.094 3.571 . 0 0 "[ . 1 . 2]" 1
399 1 38 LYS HA 1 40 GLY H 4.000 . 4.750 4.015 3.454 4.786 0.036 3 0 "[ . 1 . 2]" 1
400 1 39 ASN QB 1 41 ARG H 5.000 . 6.000 4.473 4.199 4.817 . 0 0 "[ . 1 . 2]" 1
401 1 41 ARG H 1 43 LEU QD 5.000 . 6.000 4.374 3.919 4.456 . 0 0 "[ . 1 . 2]" 1
402 1 41 ARG QB 1 43 LEU QD 4.000 . 4.750 2.846 2.459 3.142 . 0 0 "[ . 1 . 2]" 1
403 1 41 ARG QD 1 43 LEU QD 4.000 . 4.750 2.626 2.083 3.140 . 0 0 "[ . 1 . 2]" 1
404 1 43 LEU HA 1 45 GLU H 5.000 . 6.000 4.593 4.488 4.678 . 0 0 "[ . 1 . 2]" 1
405 1 43 LEU QD 1 45 GLU H 5.000 . 6.000 4.080 3.972 4.182 . 0 0 "[ . 1 . 2]" 1
406 1 43 LEU QD 1 45 GLU QB 5.000 . 6.000 3.789 3.570 3.966 . 0 0 "[ . 1 . 2]" 1
407 1 43 LEU QD 1 45 GLU QG 5.000 . 6.000 3.858 3.560 3.967 . 0 0 "[ . 1 . 2]" 1
408 1 44 LYS H 1 46 ASP H 5.000 . 6.000 4.130 4.085 4.273 . 0 0 "[ . 1 . 2]" 1
409 1 44 LYS HA 1 46 ASP H 4.000 . 4.750 4.207 4.178 4.254 . 0 0 "[ . 1 . 2]" 1
410 1 45 GLU H 1 47 ILE H 4.000 . 4.750 4.170 4.122 4.247 . 0 0 "[ . 1 . 2]" 1
411 1 47 ILE H 1 49 ALA H 4.000 . 4.750 4.017 3.927 4.221 . 0 0 "[ . 1 . 2]" 1
412 1 47 ILE HA 1 49 ALA H 5.000 . 6.000 4.363 4.215 4.478 . 0 0 "[ . 1 . 2]" 1
413 1 48 ASP H 1 50 PHE H 5.000 . 6.000 4.195 4.116 4.248 . 0 0 "[ . 1 . 2]" 1
414 1 48 ASP HA 1 50 PHE H 5.000 . 6.000 4.387 4.339 4.437 . 0 0 "[ . 1 . 2]" 1
415 1 49 ALA H 1 51 LEU H 5.000 . 6.000 4.258 3.929 4.389 . 0 0 "[ . 1 . 2]" 1
416 1 49 ALA HA 1 51 LEU H 5.000 . 6.000 4.540 4.171 4.692 . 0 0 "[ . 1 . 2]" 1
417 1 16 MET H 1 19 VAL HB 5.000 . 6.000 2.319 1.982 3.004 . 0 0 "[ . 1 . 2]" 1
418 1 16 MET H 1 19 VAL MG1 5.000 . 6.000 3.440 2.951 4.048 . 0 0 "[ . 1 . 2]" 1
419 1 16 MET H 1 19 VAL MG2 5.000 . 6.000 2.541 2.208 3.125 . 0 0 "[ . 1 . 2]" 1
420 1 16 MET HB3 1 19 VAL MG2 5.000 . 6.000 3.351 2.918 3.723 . 0 0 "[ . 1 . 2]" 1
421 1 16 MET HB2 1 19 VAL MG2 5.000 . 6.000 2.198 1.875 2.598 . 0 0 "[ . 1 . 2]" 1
422 1 17 PRO HA 1 20 ARG H 5.000 . 6.000 3.784 3.559 4.055 . 0 0 "[ . 1 . 2]" 1
423 1 17 PRO HA 1 20 ARG QG 4.000 . 4.750 3.639 2.748 4.227 . 0 0 "[ . 1 . 2]" 1
424 1 18 SER HA 1 21 LYS H 3.000 . 3.500 3.488 3.427 3.508 0.008 20 0 "[ . 1 . 2]" 1
425 1 18 SER HA 1 21 LYS QG 4.000 . 4.750 4.156 3.938 4.240 . 0 0 "[ . 1 . 2]" 1
426 1 19 VAL HA 1 22 TYR H 3.000 . 3.500 3.375 3.240 3.447 . 0 0 "[ . 1 . 2]" 1
427 1 19 VAL HA 1 22 TYR HB3 3.000 . 3.500 2.770 2.591 2.871 . 0 0 "[ . 1 . 2]" 1
428 1 19 VAL HA 1 22 TYR HB2 4.000 . 4.750 2.535 2.442 2.808 . 0 0 "[ . 1 . 2]" 1
429 1 19 VAL HA 1 22 TYR QD 3.000 . 3.500 3.086 2.964 3.136 . 0 0 "[ . 1 . 2]" 1
430 1 20 ARG HA 1 23 ALA H 3.000 . 3.500 3.547 3.537 3.557 0.057 8 0 "[ . 1 . 2]" 1
431 1 20 ARG HA 1 23 ALA MB 4.000 . 4.750 3.284 3.153 3.361 . 0 0 "[ . 1 . 2]" 1
432 1 21 LYS HA 1 24 ARG H 4.000 . 4.750 3.430 3.366 3.478 . 0 0 "[ . 1 . 2]" 1
433 1 21 LYS HA 1 24 ARG QB 3.000 . 3.500 2.342 2.190 2.488 . 0 0 "[ . 1 . 2]" 1
434 1 22 TYR HA 1 25 GLU H 3.000 . 3.500 3.509 3.485 3.521 0.021 3 0 "[ . 1 . 2]" 1
435 1 22 TYR HA 1 25 GLU QB 3.000 . 3.500 2.851 2.754 2.993 . 0 0 "[ . 1 . 2]" 1
436 1 22 TYR HA 1 25 GLU QG 5.000 . 6.000 3.936 3.479 4.428 . 0 0 "[ . 1 . 2]" 1
437 1 22 TYR QD 1 25 GLU QB 4.000 . 4.750 3.733 3.420 3.777 . 0 0 "[ . 1 . 2]" 1
438 1 23 ALA HA 1 26 LYS QB 3.000 . 3.500 3.039 2.693 3.126 . 0 0 "[ . 1 . 2]" 1
439 1 24 ARG HA 1 27 GLY H 3.000 . 3.500 3.516 3.509 3.523 0.023 17 0 "[ . 1 . 2]" 1
440 1 29 ASP H 1 32 LEU QD 5.000 . 6.000 2.525 2.263 3.160 . 0 0 "[ . 1 . 2]" 1
441 1 29 ASP HA 1 32 LEU QD 5.000 . 6.000 3.819 3.405 4.050 . 0 0 "[ . 1 . 2]" 1
442 1 29 ASP HB3 1 32 LEU HG 3.000 . 3.500 2.318 1.940 3.335 . 0 0 "[ . 1 . 2]" 1
443 1 29 ASP HB3 1 32 LEU QD 4.000 . 4.750 1.787 1.585 2.037 0.215 1 0 "[ . 1 . 2]" 1
444 1 29 ASP HB2 1 32 LEU HG 4.000 . 4.750 3.963 3.595 4.812 0.062 19 0 "[ . 1 . 2]" 1
445 1 29 ASP HB2 1 32 LEU QD 4.000 . 4.750 2.801 2.724 2.986 . 0 0 "[ . 1 . 2]" 1
446 1 30 ILE HA 1 33 VAL H 4.000 . 4.750 3.401 3.367 3.469 . 0 0 "[ . 1 . 2]" 1
447 1 30 ILE HA 1 33 VAL HB 3.000 . 3.500 2.639 2.527 2.862 . 0 0 "[ . 1 . 2]" 1
448 1 30 ILE HA 1 33 VAL MG1 4.000 . 4.750 3.695 3.634 3.831 . 0 0 "[ . 1 . 2]" 1
449 1 30 ILE HA 1 33 VAL MG2 4.000 . 4.750 1.831 1.799 1.855 0.001 5 0 "[ . 1 . 2]" 1
450 1 30 ILE MG 1 33 VAL H 5.000 . 6.000 5.004 4.999 5.013 . 0 0 "[ . 1 . 2]" 1
451 1 43 LEU H 1 46 ASP H 4.000 . 4.750 3.151 3.109 3.360 . 0 0 "[ . 1 . 2]" 1
452 1 43 LEU H 1 46 ASP HB3 4.000 . 4.750 3.341 3.251 3.894 . 0 0 "[ . 1 . 2]" 1
453 1 43 LEU H 1 46 ASP HB2 4.000 . 4.750 2.019 1.958 2.605 . 0 0 "[ . 1 . 2]" 1
454 1 43 LEU HB3 1 46 ASP H 4.000 . 4.750 4.157 4.029 4.349 . 0 0 "[ . 1 . 2]" 1
455 1 43 LEU HB2 1 46 ASP H 3.000 . 3.500 2.964 2.847 3.057 . 0 0 "[ . 1 . 2]" 1
456 1 45 GLU HA 1 48 ASP H 3.000 . 3.500 3.483 3.392 3.505 0.005 12 0 "[ . 1 . 2]" 1
457 1 45 GLU HA 1 48 ASP QB 3.000 . 3.500 2.731 2.602 2.900 . 0 0 "[ . 1 . 2]" 1
458 1 46 ASP HA 1 49 ALA H 4.000 . 4.750 3.457 3.377 3.513 . 0 0 "[ . 1 . 2]" 1
459 1 46 ASP HA 1 49 ALA MB 3.000 . 3.500 2.577 2.353 2.707 . 0 0 "[ . 1 . 2]" 1
460 1 47 ILE HA 1 50 PHE H 4.000 . 4.750 3.455 3.344 3.503 . 0 0 "[ . 1 . 2]" 1
461 1 47 ILE HA 1 50 PHE HB3 3.000 . 3.500 2.913 2.766 3.008 . 0 0 "[ . 1 . 2]" 1
462 1 47 ILE HA 1 50 PHE HB2 3.000 . 3.500 3.512 3.505 3.522 0.022 3 0 "[ . 1 . 2]" 1
463 1 47 ILE MG 1 50 PHE QD 5.000 . 6.000 4.410 4.270 4.458 . 0 0 "[ . 1 . 2]" 1
464 1 48 ASP HA 1 51 LEU H 4.000 . 4.750 3.542 3.374 3.658 . 0 0 "[ . 1 . 2]" 1
465 1 48 ASP HA 1 51 LEU QB 4.000 . 4.750 2.964 2.719 3.069 . 0 0 "[ . 1 . 2]" 1
466 1 48 ASP HA 1 51 LEU QD 4.000 . 4.750 3.130 2.617 3.475 . 0 0 "[ . 1 . 2]" 1
467 1 15 ALA HA 1 19 VAL MG1 5.000 . 6.000 3.914 3.482 4.184 . 0 0 "[ . 1 . 2]" 1
468 1 15 ALA MB 1 19 VAL H 5.000 . 6.000 4.580 4.266 4.906 . 0 0 "[ . 1 . 2]" 1
469 1 15 ALA MB 1 19 VAL HB 4.000 . 4.750 2.621 2.319 3.063 . 0 0 "[ . 1 . 2]" 1
470 1 15 ALA MB 1 19 VAL MG1 5.000 . 6.000 2.457 2.061 2.937 . 0 0 "[ . 1 . 2]" 1
471 1 17 PRO HA 1 21 LYS QB 5.000 . 6.000 5.207 4.863 5.355 . 0 0 "[ . 1 . 2]" 1
472 1 18 SER HA 1 22 TYR H 4.000 . 4.750 4.277 4.066 4.394 . 0 0 "[ . 1 . 2]" 1
473 1 19 VAL HA 1 23 ALA H 4.000 . 4.750 4.191 4.110 4.263 . 0 0 "[ . 1 . 2]" 1
474 1 20 ARG HA 1 24 ARG H 5.000 . 6.000 4.254 4.125 4.361 . 0 0 "[ . 1 . 2]" 1
475 1 22 TYR HA 1 26 LYS H 4.000 . 4.750 4.251 4.097 4.361 . 0 0 "[ . 1 . 2]" 1
476 1 22 TYR QD 1 26 LYS QB 3.000 . 3.500 2.730 2.436 2.787 . 0 0 "[ . 1 . 2]" 1
477 1 22 TYR QD 1 26 LYS QG 5.000 . 6.000 3.612 2.497 4.575 . 0 0 "[ . 1 . 2]" 1
478 1 22 TYR QD 1 26 LYS QD 5.000 . 6.000 3.396 1.993 4.770 . 0 0 "[ . 1 . 2]" 1
479 1 22 TYR QD 1 26 LYS QE 5.000 . 6.000 3.881 3.028 4.500 . 0 0 "[ . 1 . 2]" 1
480 1 22 TYR QE 1 26 LYS QB 4.000 . 4.750 3.184 2.899 3.408 . 0 0 "[ . 1 . 2]" 1
481 1 22 TYR QE 1 26 LYS QG 4.000 . 4.750 2.597 1.859 3.769 . 0 0 "[ . 1 . 2]" 1
482 1 22 TYR QE 1 26 LYS QD 4.000 . 4.750 2.952 2.051 3.776 . 0 0 "[ . 1 . 2]" 1
483 1 22 TYR QE 1 26 LYS QE 3.000 . 3.500 2.234 1.973 2.781 . 0 0 "[ . 1 . 2]" 1
484 1 36 THR HA 1 40 GLY QA 5.000 . 6.000 3.408 1.992 4.371 . 0 0 "[ . 1 . 2]" 1
485 1 37 GLY H 1 41 ARG H 5.000 . 6.000 2.749 2.113 3.645 . 0 0 "[ . 1 . 2]" 1
486 1 37 GLY H 1 41 ARG QB 4.000 . 4.750 3.354 2.940 3.650 . 0 0 "[ . 1 . 2]" 1
487 1 37 GLY H 1 41 ARG QG 5.000 . 6.000 4.918 4.358 5.347 . 0 0 "[ . 1 . 2]" 1
488 1 37 GLY QA 1 41 ARG H 5.000 . 6.000 2.917 2.606 3.435 . 0 0 "[ . 1 . 2]" 1
489 1 42 VAL MG1 1 46 ASP HB3 4.000 . 4.750 2.337 1.986 2.648 . 0 0 "[ . 1 . 2]" 1
490 1 42 VAL MG1 1 46 ASP HB2 4.000 . 4.750 2.304 2.089 2.540 . 0 0 "[ . 1 . 2]" 1
491 1 42 VAL MG2 1 46 ASP HB2 5.000 . 6.000 4.288 4.218 4.368 . 0 0 "[ . 1 . 2]" 1
492 1 46 ASP HA 1 50 PHE H 5.000 . 6.000 4.201 4.100 4.310 . 0 0 "[ . 1 . 2]" 1
493 1 47 ILE HA 1 51 LEU H 5.000 . 6.000 4.306 4.105 4.371 . 0 0 "[ . 1 . 2]" 1
494 1 48 ASP QB 1 52 ALA MB 4.000 . 4.750 3.425 2.864 3.528 . 0 0 "[ . 1 . 2]" 1
495 1 13 VAL MG1 1 31 ARG HA 5.000 . 6.000 2.483 2.099 2.760 . 0 0 "[ . 1 . 2]" 1
496 1 13 VAL MG2 1 31 ARG HA 3.000 . 3.500 2.720 2.062 2.921 . 0 0 "[ . 1 . 2]" 1
497 1 14 ILE MG 1 39 ASN QB 5.000 . 6.000 3.411 2.721 4.215 . 0 0 "[ . 1 . 2]" 1
498 1 14 ILE MD 1 39 ASN QB 5.000 . 6.000 3.773 2.965 4.452 . 0 0 "[ . 1 . 2]" 1
499 1 14 ILE MG 1 40 GLY H 5.000 . 6.000 4.883 3.927 5.006 . 0 0 "[ . 1 . 2]" 1
500 1 14 ILE HB 1 41 ARG HA 3.000 . 3.500 2.583 2.016 2.976 . 0 0 "[ . 1 . 2]" 1
501 1 14 ILE H 1 42 VAL H 5.000 . 6.000 4.878 4.481 5.256 . 0 0 "[ . 1 . 2]" 1
502 1 14 ILE H 1 42 VAL MG2 5.000 . 6.000 4.140 3.482 4.660 . 0 0 "[ . 1 . 2]" 1
503 1 14 ILE HB 1 42 VAL H 4.000 . 4.750 3.541 3.260 3.894 . 0 0 "[ . 1 . 2]" 1
504 1 14 ILE MG 1 42 VAL H 5.000 . 6.000 3.595 3.288 3.835 . 0 0 "[ . 1 . 2]" 1
505 1 15 ALA MB 1 20 ARG H 5.000 . 6.000 3.791 3.163 4.094 . 0 0 "[ . 1 . 2]" 1
506 1 15 ALA MB 1 20 ARG HA 5.000 . 6.000 4.034 3.468 4.399 . 0 0 "[ . 1 . 2]" 1
507 1 15 ALA MB 1 20 ARG QG 4.000 . 4.750 2.773 1.950 3.546 . 0 0 "[ . 1 . 2]" 1
508 1 15 ALA MB 1 20 ARG QD 5.000 . 6.000 3.566 1.798 4.453 0.002 17 0 "[ . 1 . 2]" 1
509 1 15 ALA MB 1 30 ILE HB 4.000 . 4.750 2.881 2.339 3.181 . 0 0 "[ . 1 . 2]" 1
510 1 15 ALA MB 1 30 ILE MG 5.000 . 6.000 2.782 2.453 3.025 . 0 0 "[ . 1 . 2]" 1
511 1 15 ALA MB 1 30 ILE MD 4.000 . 4.750 2.449 1.846 3.296 . 0 0 "[ . 1 . 2]" 1
512 1 15 ALA HA 1 42 VAL H 5.000 . 6.000 2.850 2.426 3.354 . 0 0 "[ . 1 . 2]" 1
513 1 15 ALA HA 1 42 VAL HB 4.000 . 4.750 3.026 2.154 3.739 . 0 0 "[ . 1 . 2]" 1
514 1 15 ALA MB 1 42 VAL H 5.000 . 6.000 3.485 3.028 3.924 . 0 0 "[ . 1 . 2]" 1
515 1 15 ALA MB 1 42 VAL HB 3.000 . 3.500 2.171 1.929 2.589 . 0 0 "[ . 1 . 2]" 1
516 1 15 ALA MB 1 42 VAL MG2 5.000 . 6.000 3.063 2.698 3.329 . 0 0 "[ . 1 . 2]" 1
517 1 19 VAL MG1 1 42 VAL HB 4.000 . 4.750 2.660 2.351 2.873 . 0 0 "[ . 1 . 2]" 1
518 1 19 VAL MG2 1 43 LEU HA 5.000 . 6.000 1.834 1.809 1.873 . 0 0 "[ . 1 . 2]" 1
519 1 19 VAL MG1 1 44 LYS H 5.000 . 6.000 4.076 3.794 4.247 . 0 0 "[ . 1 . 2]" 1
520 1 19 VAL MG2 1 44 LYS H 4.000 . 4.750 2.462 2.312 2.588 . 0 0 "[ . 1 . 2]" 1
521 1 19 VAL MG2 1 44 LYS HA 3.000 . 3.500 2.932 2.929 2.937 . 0 0 "[ . 1 . 2]" 1
522 1 19 VAL MG2 1 44 LYS HB2 4.000 . 4.750 3.502 3.384 3.589 . 0 0 "[ . 1 . 2]" 1
523 1 20 ARG H 1 30 ILE MG 5.000 . 6.000 3.974 3.510 4.175 . 0 0 "[ . 1 . 2]" 1
524 1 20 ARG H 1 30 ILE MD 5.000 . 6.000 4.220 3.718 4.746 . 0 0 "[ . 1 . 2]" 1
525 1 20 ARG HA 1 30 ILE MD 4.000 . 4.750 2.408 1.831 2.588 . 0 0 "[ . 1 . 2]" 1
526 1 20 ARG QD 1 31 ARG H 5.000 . 6.000 5.364 5.346 5.404 . 0 0 "[ . 1 . 2]" 1
527 1 22 TYR QD 1 44 LYS HA 3.000 . 3.500 2.242 2.120 2.517 . 0 0 "[ . 1 . 2]" 1
528 1 22 TYR QD 1 44 LYS QG 3.000 . 3.500 2.033 1.930 2.564 . 0 0 "[ . 1 . 2]" 1
529 1 22 TYR QD 1 44 LYS QE 4.000 . 4.750 3.228 2.005 3.774 . 0 0 "[ . 1 . 2]" 1
530 1 22 TYR QE 1 44 LYS HA 3.000 . 3.500 2.894 2.733 3.139 . 0 0 "[ . 1 . 2]" 1
531 1 22 TYR QE 1 44 LYS QG 3.000 . 3.500 1.967 1.854 2.198 . 0 0 "[ . 1 . 2]" 1
532 1 22 TYR QE 1 44 LYS QE 4.000 . 4.750 3.297 2.094 3.771 . 0 0 "[ . 1 . 2]" 1
533 1 22 TYR HB3 1 47 ILE MD 5.000 . 6.000 2.429 2.321 3.233 . 0 0 "[ . 1 . 2]" 1
534 1 22 TYR HB2 1 47 ILE MD 5.000 . 6.000 3.897 3.793 4.692 . 0 0 "[ . 1 . 2]" 1
535 1 22 TYR QD 1 47 ILE HB 3.000 . 3.500 2.944 2.547 3.090 . 0 0 "[ . 1 . 2]" 1
536 1 22 TYR QD 1 47 ILE MG 3.000 . 3.500 2.618 2.606 2.627 . 0 0 "[ . 1 . 2]" 1
537 1 22 TYR QD 1 47 ILE MD 4.000 . 4.750 3.528 3.522 3.537 . 0 0 "[ . 1 . 2]" 1
538 1 22 TYR QD 1 47 ILE QG 4.000 . 4.750 2.293 2.103 2.492 . 0 0 "[ . 1 . 2]" 1
539 1 22 TYR QE 1 47 ILE H 4.000 . 4.750 4.255 4.244 4.265 . 0 0 "[ . 1 . 2]" 1
540 1 22 TYR QE 1 47 ILE HB 3.000 . 3.500 2.426 1.950 2.516 . 0 0 "[ . 1 . 2]" 1
541 1 22 TYR QE 1 47 ILE MG 4.000 . 4.750 2.641 2.536 2.700 . 0 0 "[ . 1 . 2]" 1
542 1 22 TYR QE 1 47 ILE MD 5.000 . 6.000 4.467 4.443 4.476 . 0 0 "[ . 1 . 2]" 1
543 1 22 TYR QE 1 47 ILE QG 4.000 . 4.750 3.497 3.418 3.694 . 0 0 "[ . 1 . 2]" 1
544 1 22 TYR QD 1 48 ASP H 5.000 . 6.000 4.844 4.673 4.982 . 0 0 "[ . 1 . 2]" 1
545 1 22 TYR QE 1 48 ASP H 4.000 . 4.750 3.304 3.135 3.457 . 0 0 "[ . 1 . 2]" 1
546 1 22 TYR QE 1 48 ASP HA 5.000 . 6.000 4.216 3.901 4.343 . 0 0 "[ . 1 . 2]" 1
547 1 22 TYR QD 1 51 LEU QD 5.000 . 6.000 3.916 3.798 3.983 . 0 0 "[ . 1 . 2]" 1
548 1 22 TYR QE 1 51 LEU QD 4.000 . 4.750 2.915 2.764 3.049 . 0 0 "[ . 1 . 2]" 1
549 1 23 ALA HA 1 28 VAL H 4.000 . 4.750 2.697 2.584 2.886 . 0 0 "[ . 1 . 2]" 1
550 1 23 ALA MB 1 28 VAL H 4.000 . 4.750 3.328 3.171 3.428 . 0 0 "[ . 1 . 2]" 1
551 1 23 ALA MB 1 28 VAL MG1 5.000 . 6.000 2.776 2.591 2.896 . 0 0 "[ . 1 . 2]" 1
552 1 23 ALA H 1 30 ILE MG 5.000 . 6.000 3.322 2.951 3.493 . 0 0 "[ . 1 . 2]" 1
553 1 23 ALA H 1 30 ILE MD 5.000 . 6.000 4.939 4.225 5.012 . 0 0 "[ . 1 . 2]" 1
554 1 23 ALA MB 1 33 VAL MG2 5.000 . 6.000 3.248 2.855 3.473 . 0 0 "[ . 1 . 2]" 1
555 1 23 ALA H 1 47 ILE MG 5.000 . 6.000 3.495 3.441 3.559 . 0 0 "[ . 1 . 2]" 1
556 1 23 ALA H 1 47 ILE MD 5.000 . 6.000 2.671 2.456 3.104 . 0 0 "[ . 1 . 2]" 1
557 1 23 ALA H 1 47 ILE QG 4.000 . 4.750 4.081 3.852 4.199 . 0 0 "[ . 1 . 2]" 1
558 1 23 ALA MB 1 47 ILE MG 4.000 . 4.750 3.290 3.032 3.308 . 0 0 "[ . 1 . 2]" 1
559 1 23 ALA MB 1 47 ILE MD 4.000 . 4.750 2.241 2.043 2.448 . 0 0 "[ . 1 . 2]" 1
560 1 28 VAL MG1 1 33 VAL H 5.000 . 6.000 4.950 4.755 5.005 . 0 0 "[ . 1 . 2]" 1
561 1 28 VAL MG1 1 33 VAL MG1 5.000 . 6.000 3.903 3.711 4.018 . 0 0 "[ . 1 . 2]" 1
562 1 28 VAL MG1 1 33 VAL MG2 5.000 . 6.000 2.222 2.100 2.267 . 0 0 "[ . 1 . 2]" 1
563 1 28 VAL MG2 1 33 VAL MG2 5.000 . 6.000 4.100 4.018 4.136 . 0 0 "[ . 1 . 2]" 1
564 1 28 VAL MG1 1 47 ILE HA 4.000 . 4.750 3.935 3.830 3.964 . 0 0 "[ . 1 . 2]" 1
565 1 28 VAL MG1 1 47 ILE MG 5.000 . 6.000 3.226 3.074 3.356 . 0 0 "[ . 1 . 2]" 1
566 1 28 VAL MG1 1 47 ILE MD 5.000 . 6.000 3.387 3.243 3.448 . 0 0 "[ . 1 . 2]" 1
567 1 28 VAL HA 1 50 PHE QE 4.000 . 4.750 3.846 3.600 4.014 . 0 0 "[ . 1 . 2]" 1
568 1 28 VAL MG1 1 50 PHE QD 4.000 . 4.750 2.382 2.265 2.518 . 0 0 "[ . 1 . 2]" 1
569 1 28 VAL MG1 1 50 PHE QE 4.000 . 4.750 2.417 2.333 2.535 . 0 0 "[ . 1 . 2]" 1
570 1 28 VAL MG2 1 50 PHE QD 3.000 . 3.500 2.513 2.264 2.600 . 0 0 "[ . 1 . 2]" 1
571 1 28 VAL MG2 1 50 PHE QE 4.000 . 4.750 2.972 2.647 3.167 . 0 0 "[ . 1 . 2]" 1
572 1 28 VAL MG1 1 51 LEU HG 5.000 . 6.000 3.144 3.063 3.253 . 0 0 "[ . 1 . 2]" 1
573 1 28 VAL MG2 1 51 LEU H 5.000 . 6.000 4.156 3.996 4.631 . 0 0 "[ . 1 . 2]" 1
574 1 29 ASP H 1 50 PHE QE 4.000 . 4.750 4.053 3.899 4.192 . 0 0 "[ . 1 . 2]" 1
575 1 30 ILE HA 1 47 ILE MD 5.000 . 6.000 3.220 3.046 3.353 . 0 0 "[ . 1 . 2]" 1
576 1 32 LEU HG 1 50 PHE QE 4.000 . 4.750 4.142 3.702 4.247 . 0 0 "[ . 1 . 2]" 1
577 1 32 LEU QB 1 50 PHE QD 5.000 . 6.000 4.489 4.313 4.554 . 0 0 "[ . 1 . 2]" 1
578 1 32 LEU QB 1 50 PHE QE 3.000 . 3.500 2.789 2.785 2.796 . 0 0 "[ . 1 . 2]" 1
579 1 32 LEU QD 1 50 PHE QE 3.000 . 3.500 2.084 1.823 2.315 . 0 0 "[ . 1 . 2]" 1
580 1 33 VAL MG1 1 42 VAL HA 5.000 . 6.000 3.714 3.521 3.938 . 0 0 "[ . 1 . 2]" 1
581 1 33 VAL MG1 1 42 VAL MG1 5.000 . 6.000 1.847 1.746 2.034 0.054 14 0 "[ . 1 . 2]" 1
582 1 33 VAL MG2 1 42 VAL MG1 5.000 . 6.000 2.734 2.534 3.005 . 0 0 "[ . 1 . 2]" 1
583 1 33 VAL MG1 1 43 LEU H 5.000 . 6.000 4.285 3.955 4.694 . 0 0 "[ . 1 . 2]" 1
584 1 33 VAL MG1 1 46 ASP H 5.000 . 6.000 4.508 4.379 4.688 . 0 0 "[ . 1 . 2]" 1
585 1 33 VAL MG1 1 46 ASP HA 5.000 . 6.000 3.600 3.486 3.884 . 0 0 "[ . 1 . 2]" 1
586 1 33 VAL MG1 1 46 ASP HB3 4.000 . 4.750 1.965 1.882 2.200 . 0 0 "[ . 1 . 2]" 1
587 1 33 VAL MG1 1 46 ASP HB2 4.000 . 4.750 2.951 2.698 3.213 . 0 0 "[ . 1 . 2]" 1
588 1 33 VAL MG1 1 47 ILE H 5.000 . 6.000 3.375 3.240 3.431 . 0 0 "[ . 1 . 2]" 1
589 1 33 VAL MG1 1 47 ILE HA 3.000 . 3.500 2.451 2.305 2.635 . 0 0 "[ . 1 . 2]" 1
590 1 33 VAL MG2 1 47 ILE HA 4.000 . 4.750 3.018 2.911 3.207 . 0 0 "[ . 1 . 2]" 1
591 1 33 VAL MG2 1 47 ILE MG 5.000 . 6.000 3.447 3.206 3.581 . 0 0 "[ . 1 . 2]" 1
592 1 33 VAL MG2 1 47 ILE MD 5.000 . 6.000 2.181 1.873 2.392 . 0 0 "[ . 1 . 2]" 1
593 1 33 VAL MG2 1 47 ILE QG 5.000 . 6.000 3.831 3.612 3.926 . 0 0 "[ . 1 . 2]" 1
594 1 33 VAL HA 1 50 PHE HB3 4.000 . 4.750 4.291 4.151 4.397 . 0 0 "[ . 1 . 2]" 1
595 1 33 VAL HA 1 50 PHE HB2 3.000 . 3.500 2.953 2.770 3.051 . 0 0 "[ . 1 . 2]" 1
596 1 33 VAL HA 1 50 PHE QD 3.000 . 3.500 1.925 1.841 2.062 . 0 0 "[ . 1 . 2]" 1
597 1 33 VAL HA 1 50 PHE QE 4.000 . 4.750 3.388 3.273 3.577 . 0 0 "[ . 1 . 2]" 1
598 1 33 VAL MG1 1 50 PHE H 5.000 . 6.000 3.424 3.227 3.647 . 0 0 "[ . 1 . 2]" 1
599 1 33 VAL MG1 1 50 PHE HB3 5.000 . 6.000 3.133 2.982 3.336 . 0 0 "[ . 1 . 2]" 1
600 1 33 VAL MG1 1 50 PHE HB2 5.000 . 6.000 2.118 1.962 2.473 . 0 0 "[ . 1 . 2]" 1
601 1 33 VAL MG1 1 50 PHE QD 5.000 . 6.000 3.249 3.125 3.456 . 0 0 "[ . 1 . 2]" 1
602 1 33 VAL MG2 1 50 PHE H 5.000 . 6.000 4.621 4.484 4.997 . 0 0 "[ . 1 . 2]" 1
603 1 33 VAL MG2 1 50 PHE HB3 5.000 . 6.000 3.032 2.893 3.312 . 0 0 "[ . 1 . 2]" 1
604 1 33 VAL MG2 1 50 PHE HB2 4.000 . 4.750 2.782 2.619 3.245 . 0 0 "[ . 1 . 2]" 1
605 1 33 VAL MG2 1 50 PHE QD 4.000 . 4.750 2.942 2.720 3.224 . 0 0 "[ . 1 . 2]" 1
606 1 33 VAL MG2 1 50 PHE QE 5.000 . 6.000 3.767 3.621 3.898 . 0 0 "[ . 1 . 2]" 1
607 1 34 GLN QB 1 49 ALA MB 4.000 . 4.750 3.024 2.610 3.272 . 0 0 "[ . 1 . 2]" 1
608 1 34 GLN H 1 50 PHE HB2 5.000 . 6.000 2.767 2.528 2.916 . 0 0 "[ . 1 . 2]" 1
609 1 34 GLN H 1 50 PHE QD 4.000 . 4.750 2.937 2.680 3.082 . 0 0 "[ . 1 . 2]" 1
610 1 34 GLN H 1 50 PHE QE 5.000 . 6.000 5.073 4.807 5.232 . 0 0 "[ . 1 . 2]" 1
611 1 34 GLN QB 1 50 PHE HB3 5.000 . 6.000 5.242 4.876 5.358 . 0 0 "[ . 1 . 2]" 1
612 1 34 GLN QB 1 50 PHE HB2 5.000 . 6.000 3.763 3.351 3.934 . 0 0 "[ . 1 . 2]" 1
613 1 35 GLY QA 1 40 GLY QA 5.000 . 6.000 3.579 3.067 4.150 . 0 0 "[ . 1 . 2]" 1
614 1 35 GLY H 1 42 VAL HB 5.000 . 6.000 5.950 5.783 6.005 0.005 18 0 "[ . 1 . 2]" 1
615 1 35 GLY H 1 42 VAL MG2 5.000 . 6.000 2.987 2.839 3.099 . 0 0 "[ . 1 . 2]" 1
616 1 35 GLY QA 1 42 VAL H 4.000 . 4.750 3.590 3.378 3.823 . 0 0 "[ . 1 . 2]" 1
617 1 35 GLY QA 1 42 VAL HA 3.000 . 3.500 2.079 1.945 2.270 . 0 0 "[ . 1 . 2]" 1
618 1 35 GLY QA 1 42 VAL MG2 4.000 . 4.750 2.143 1.870 2.385 . 0 0 "[ . 1 . 2]" 1
619 1 35 GLY QA 1 43 LEU H 4.000 . 4.750 3.398 3.219 3.678 . 0 0 "[ . 1 . 2]" 1
620 1 36 THR H 1 42 VAL HA 4.000 . 4.750 3.530 3.389 3.694 . 0 0 "[ . 1 . 2]" 1
621 1 36 THR H 1 42 VAL MG2 5.000 . 6.000 4.596 4.350 4.822 . 0 0 "[ . 1 . 2]" 1
622 1 36 THR H 1 43 LEU H 5.000 . 6.000 3.887 3.668 4.160 . 0 0 "[ . 1 . 2]" 1
623 1 36 THR H 1 43 LEU HG 5.000 . 6.000 5.154 4.055 5.740 . 0 0 "[ . 1 . 2]" 1
624 1 36 THR H 1 43 LEU QD 5.000 . 6.000 3.734 2.948 4.314 . 0 0 "[ . 1 . 2]" 1
625 1 37 GLY H 1 42 VAL HA 4.000 . 4.750 4.031 3.782 4.326 . 0 0 "[ . 1 . 2]" 1
626 1 37 GLY H 1 43 LEU H 5.000 . 6.000 4.435 4.008 4.860 . 0 0 "[ . 1 . 2]" 1
627 1 37 GLY H 1 43 LEU HG 4.000 . 4.750 4.317 3.500 4.753 0.003 13 0 "[ . 1 . 2]" 1
628 1 37 GLY H 1 43 LEU QD 4.000 . 4.750 3.025 2.253 3.525 . 0 0 "[ . 1 . 2]" 1
629 1 37 GLY QA 1 43 LEU HG 5.000 . 6.000 3.397 2.651 4.337 . 0 0 "[ . 1 . 2]" 1
630 1 37 GLY QA 1 43 LEU QD 4.000 . 4.750 2.008 1.780 2.354 0.020 6 0 "[ . 1 . 2]" 1
631 1 38 LYS H 1 43 LEU QD 5.000 . 6.000 3.908 3.401 4.354 . 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 44
_Distance_constraint_stats_list.Viol_count 307
_Distance_constraint_stats_list.Viol_total 77.417
_Distance_constraint_stats_list.Viol_max 0.053
_Distance_constraint_stats_list.Viol_rms 0.0088
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0044
_Distance_constraint_stats_list.Viol_average_violations_only 0.0126
_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 14 ILE 0.010 0.007 11 0 "[ . 1 . 2]"
1 18 SER 0.044 0.011 3 0 "[ . 1 . 2]"
1 19 VAL 0.185 0.027 15 0 "[ . 1 . 2]"
1 20 ARG 0.017 0.005 15 0 "[ . 1 . 2]"
1 21 LYS 0.323 0.028 17 0 "[ . 1 . 2]"
1 22 TYR 0.050 0.011 3 0 "[ . 1 . 2]"
1 23 ALA 1.159 0.053 5 0 "[ . 1 . 2]"
1 24 ARG 0.017 0.005 15 0 "[ . 1 . 2]"
1 25 GLU 0.323 0.028 17 0 "[ . 1 . 2]"
1 26 LYS 0.005 0.004 5 0 "[ . 1 . 2]"
1 27 GLY 0.110 0.009 1 0 "[ . 1 . 2]"
1 28 VAL 0.864 0.053 5 0 "[ . 1 . 2]"
1 29 ASP 0.170 0.034 17 0 "[ . 1 . 2]"
1 30 ILE 0.068 0.011 3 0 "[ . 1 . 2]"
1 31 ARG 0.170 0.034 17 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 VAL 0.113 0.013 5 0 "[ . 1 . 2]"
1 35 GLY 0.045 0.013 5 0 "[ . 1 . 2]"
1 36 THR 0.070 0.009 8 0 "[ . 1 . 2]"
1 37 GLY 0.191 0.021 2 0 "[ . 1 . 2]"
1 41 ARG 0.191 0.021 2 0 "[ . 1 . 2]"
1 42 VAL 0.010 0.007 11 0 "[ . 1 . 2]"
1 43 LEU 0.783 0.039 15 0 "[ . 1 . 2]"
1 44 LYS 0.530 0.041 4 0 "[ . 1 . 2]"
1 45 GLU 0.084 0.008 7 0 "[ . 1 . 2]"
1 46 ASP 0.288 0.014 7 0 "[ . 1 . 2]"
1 47 ILE 0.937 0.039 15 0 "[ . 1 . 2]"
1 48 ASP 0.530 0.041 4 0 "[ . 1 . 2]"
1 49 ALA 0.084 0.008 7 0 "[ . 1 . 2]"
1 50 PHE 0.058 0.014 7 0 "[ . 1 . 2]"
1 51 LEU 0.314 0.029 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 18 SER O 1 22 TYR H 1.950 . 2.100 2.073 1.938 2.111 0.011 3 0 "[ . 1 . 2]" 2
2 1 18 SER O 1 22 TYR N 2.900 2.700 3.100 2.927 2.794 3.029 . 0 0 "[ . 1 . 2]" 2
3 1 19 VAL O 1 23 ALA H 1.950 . 2.100 2.104 2.028 2.127 0.027 15 0 "[ . 1 . 2]" 2
4 1 19 VAL O 1 23 ALA N 2.900 2.700 3.100 3.074 2.998 3.089 . 0 0 "[ . 1 . 2]" 2
5 1 20 ARG O 1 24 ARG H 1.950 . 2.100 2.050 1.934 2.105 0.005 15 0 "[ . 1 . 2]" 2
6 1 20 ARG O 1 24 ARG N 2.900 2.700 3.100 2.885 2.775 2.982 . 0 0 "[ . 1 . 2]" 2
7 1 21 LYS O 1 25 GLU H 1.950 . 2.100 1.954 1.897 2.040 . 0 0 "[ . 1 . 2]" 2
8 1 21 LYS O 1 25 GLU N 2.900 2.700 3.100 2.684 2.672 2.692 0.028 17 0 "[ . 1 . 2]" 2
9 1 22 TYR O 1 26 LYS H 1.950 . 2.100 2.026 1.880 2.104 0.004 5 0 "[ . 1 . 2]" 2
10 1 22 TYR O 1 26 LYS N 2.900 2.700 3.100 2.881 2.766 2.960 . 0 0 "[ . 1 . 2]" 2
11 1 23 ALA O 1 27 GLY H 1.950 . 2.100 2.105 2.100 2.109 0.009 1 0 "[ . 1 . 2]" 2
12 1 23 ALA O 1 27 GLY N 2.900 2.700 3.100 2.850 2.821 2.878 . 0 0 "[ . 1 . 2]" 2
13 1 23 ALA O 1 28 VAL H 1.950 . 2.100 2.111 2.103 2.118 0.018 17 0 "[ . 1 . 2]" 2
14 1 23 ALA O 1 28 VAL N 2.900 2.700 3.100 2.668 2.647 2.682 0.053 5 0 "[ . 1 . 2]" 2
15 1 29 ASP OD1 1 31 ARG H 1.950 . 2.100 2.094 2.001 2.134 0.034 17 0 "[ . 1 . 2]" 2
16 1 29 ASP OD1 1 31 ARG N 2.900 2.700 3.100 2.857 2.697 2.987 0.003 16 0 "[ . 1 . 2]" 2
17 1 29 ASP O 1 32 LEU H 1.950 . 2.100 1.892 1.820 1.979 . 0 0 "[ . 1 . 2]" 2
18 1 29 ASP O 1 32 LEU N 2.900 2.700 3.100 2.829 2.759 2.897 . 0 0 "[ . 1 . 2]" 2
19 1 30 ILE O 1 33 VAL H 1.950 . 2.100 1.825 1.789 1.935 0.011 3 0 "[ . 1 . 2]" 2
20 1 30 ILE O 1 33 VAL N 2.900 2.700 3.100 2.766 2.722 2.871 . 0 0 "[ . 1 . 2]" 2
21 1 33 VAL O 1 35 GLY H 1.950 . 2.100 2.056 1.920 2.113 0.013 5 0 "[ . 1 . 2]" 2
22 1 33 VAL O 1 35 GLY N 2.900 2.700 3.100 2.785 2.726 2.814 . 0 0 "[ . 1 . 2]" 2
23 1 36 THR H 1 46 ASP OD2 1.950 . 2.100 2.091 1.989 2.109 0.009 8 0 "[ . 1 . 2]" 2
24 1 36 THR N 1 46 ASP OD2 2.900 2.700 3.100 3.006 2.896 3.059 . 0 0 "[ . 1 . 2]" 2
25 1 37 GLY H 1 41 ARG O 1.950 . 2.100 2.083 1.897 2.107 0.007 12 0 "[ . 1 . 2]" 2
26 1 37 GLY N 1 41 ARG O 2.900 2.700 3.100 2.812 2.692 2.938 0.008 17 0 "[ . 1 . 2]" 2
27 1 37 GLY O 1 41 ARG H 1.950 . 2.100 2.079 1.904 2.121 0.021 2 0 "[ . 1 . 2]" 2
28 1 37 GLY O 1 41 ARG N 2.900 2.700 3.100 2.983 2.698 3.089 0.002 17 0 "[ . 1 . 2]" 2
29 1 14 ILE O 1 42 VAL H 1.950 . 2.100 2.007 1.810 2.107 0.007 11 0 "[ . 1 . 2]" 2
30 1 14 ILE O 1 42 VAL N 2.900 2.700 3.100 2.904 2.701 3.034 . 0 0 "[ . 1 . 2]" 2
31 1 43 LEU H 1 46 ASP OD2 1.950 . 2.100 1.882 1.794 2.058 0.006 2 0 "[ . 1 . 2]" 2
32 1 43 LEU N 1 46 ASP OD2 2.900 2.700 3.100 2.813 2.718 2.994 . 0 0 "[ . 1 . 2]" 2
33 1 43 LEU O 1 46 ASP H 1.950 . 2.100 2.107 2.104 2.110 0.010 2 0 "[ . 1 . 2]" 2
34 1 43 LEU O 1 46 ASP N 2.900 2.700 3.100 2.744 2.728 2.756 . 0 0 "[ . 1 . 2]" 2
35 1 43 LEU O 1 47 ILE H 1.950 . 2.100 2.131 2.120 2.139 0.039 15 0 "[ . 1 . 2]" 2
36 1 43 LEU O 1 47 ILE N 2.900 2.700 3.100 3.013 2.977 3.052 . 0 0 "[ . 1 . 2]" 2
37 1 44 LYS O 1 48 ASP H 1.950 . 2.100 2.117 1.918 2.141 0.041 4 0 "[ . 1 . 2]" 2
38 1 44 LYS O 1 48 ASP N 2.900 2.700 3.100 3.079 2.827 3.101 0.001 1 0 "[ . 1 . 2]" 2
39 1 45 GLU O 1 49 ALA H 1.950 . 2.100 2.104 2.100 2.108 0.008 7 0 "[ . 1 . 2]" 2
40 1 45 GLU O 1 49 ALA N 2.900 2.700 3.100 3.004 2.961 3.038 . 0 0 "[ . 1 . 2]" 2
41 1 46 ASP O 1 50 PHE H 1.950 . 2.100 2.091 2.044 2.114 0.014 7 0 "[ . 1 . 2]" 2
42 1 46 ASP O 1 50 PHE N 2.900 2.700 3.100 2.988 2.932 3.048 . 0 0 "[ . 1 . 2]" 2
43 1 47 ILE O 1 51 LEU H 1.950 . 2.100 2.109 1.964 2.129 0.029 19 0 "[ . 1 . 2]" 2
44 1 47 ILE O 1 51 LEU N 2.900 2.700 3.100 3.058 2.925 3.098 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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