NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
534257 |
2lhc   |
17839 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lhc
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 519
_Distance_constraint_stats_list.Viol_count 1374
_Distance_constraint_stats_list.Viol_total 1700.963
_Distance_constraint_stats_list.Viol_max 0.724
_Distance_constraint_stats_list.Viol_rms 0.0320
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0082
_Distance_constraint_stats_list.Viol_average_violations_only 0.0619
_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 2 THR 0.042 0.023 13 0 "[ . 1 . 2]"
1 3 TYR 0.034 0.026 19 0 "[ . 1 . 2]"
1 4 LYS 0.490 0.073 15 0 "[ . 1 . 2]"
1 5 LEU 2.145 0.210 6 0 "[ . 1 . 2]"
1 6 ILE 2.105 0.144 4 0 "[ . 1 . 2]"
1 7 LEU 0.217 0.108 5 0 "[ . 1 . 2]"
1 8 ASN 1.867 0.149 1 0 "[ . 1 . 2]"
1 9 LEU 4.113 0.156 9 0 "[ . 1 . 2]"
1 10 LYS 2.692 0.175 12 0 "[ . 1 . 2]"
1 11 GLN 0.377 0.070 17 0 "[ . 1 . 2]"
1 12 ALA 2.193 0.100 17 0 "[ . 1 . 2]"
1 13 LYS 8.832 0.189 19 0 "[ . 1 . 2]"
1 14 GLU 3.027 0.112 14 0 "[ . 1 . 2]"
1 15 GLU 4.590 0.110 20 0 "[ . 1 . 2]"
1 16 ALA 2.269 0.091 17 0 "[ . 1 . 2]"
1 17 ILE 2.676 0.180 18 0 "[ . 1 . 2]"
1 18 LYS 3.570 0.136 17 0 "[ . 1 . 2]"
1 19 GLU 4.603 0.136 17 0 "[ . 1 . 2]"
1 20 LEU 4.513 0.195 6 0 "[ . 1 . 2]"
1 21 VAL 0.215 0.109 15 0 "[ . 1 . 2]"
1 22 ASP 0.023 0.013 13 0 "[ . 1 . 2]"
1 23 ALA 5.186 0.198 7 0 "[ . 1 . 2]"
1 24 GLY 1.194 0.099 10 0 "[ . 1 . 2]"
1 25 THR 5.191 0.205 11 0 "[ . 1 . 2]"
1 26 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 GLU 4.572 0.195 6 0 "[ . 1 . 2]"
1 28 LYS 1.215 0.094 6 0 "[ . 1 . 2]"
1 29 TYR 10.782 0.724 18 6 "[ **. -1 * +*2]"
1 30 PHE 1.422 0.092 14 0 "[ . 1 . 2]"
1 31 LYS 2.663 0.092 14 0 "[ . 1 . 2]"
1 32 LEU 1.500 0.092 14 0 "[ . 1 . 2]"
1 33 ILE 6.287 0.132 8 0 "[ . 1 . 2]"
1 34 ALA 4.153 0.121 17 0 "[ . 1 . 2]"
1 35 ASN 0.992 0.075 4 0 "[ . 1 . 2]"
1 36 ALA 2.863 0.132 8 0 "[ . 1 . 2]"
1 37 LYS 0.890 0.156 9 0 "[ . 1 . 2]"
1 38 THR 0.401 0.047 7 0 "[ . 1 . 2]"
1 39 VAL 1.493 0.069 7 0 "[ . 1 . 2]"
1 40 GLU 0.514 0.144 10 0 "[ . 1 . 2]"
1 41 GLY 3.554 0.144 10 0 "[ . 1 . 2]"
1 42 VAL 0.181 0.052 9 0 "[ . 1 . 2]"
1 43 TRP 8.736 0.200 13 0 "[ . 1 . 2]"
1 44 THR 0.991 0.337 20 0 "[ . 1 . 2]"
1 45 LEU 0.431 0.337 20 0 "[ . 1 . 2]"
1 46 LYS 0.500 0.065 12 0 "[ . 1 . 2]"
1 47 ASP 0.279 0.053 10 0 "[ . 1 . 2]"
1 48 GLU 0.446 0.065 12 0 "[ . 1 . 2]"
1 49 ILE 10.490 0.724 18 6 "[ **. -1 * +*2]"
1 50 LYS 0.202 0.037 11 0 "[ . 1 . 2]"
1 51 THR 0.622 0.060 20 0 "[ . 1 . 2]"
1 52 PHE 4.189 0.213 19 0 "[ . 1 . 2]"
1 53 THR 6.128 0.213 19 0 "[ . 1 . 2]"
1 54 VAL 0.103 0.029 5 0 "[ . 1 . 2]"
1 55 THR 0.193 0.116 14 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 40 GLU QG 1 44 THR MG 4.000 . 5.500 4.816 4.341 5.519 0.019 5 0 "[ . 1 . 2]" 1
2 1 15 GLU QB 1 33 ILE MD 3.000 . 4.000 3.994 3.912 4.063 0.063 13 0 "[ . 1 . 2]" 1
3 1 16 ALA MB 1 43 TRP H 4.500 2.800 6.000 5.922 5.677 6.012 0.012 5 0 "[ . 1 . 2]" 1
4 1 26 ALA MB 1 29 TYR QE 4.000 . 5.500 2.219 1.862 2.625 . 0 0 "[ . 1 . 2]" 1
5 1 29 TYR HA 1 32 LEU HG 4.500 2.800 6.000 4.977 4.526 5.453 . 0 0 "[ . 1 . 2]" 1
6 1 33 ILE MD 1 34 ALA MB 2.500 . 3.000 2.968 2.824 3.016 0.016 14 0 "[ . 1 . 2]" 1
7 1 38 THR HA 1 41 GLY H 4.000 . 5.500 4.678 4.494 4.851 . 0 0 "[ . 1 . 2]" 1
8 1 2 THR HA 1 2 THR HB 4.000 2.800 5.500 2.981 2.777 3.025 0.023 13 0 "[ . 1 . 2]" 1
9 1 2 THR HA 1 2 THR HG1 3.000 . 4.000 2.189 2.049 2.367 . 0 0 "[ . 1 . 2]" 1
10 1 2 THR H 1 2 THR HA 3.000 . 3.000 2.654 2.272 2.947 . 0 0 "[ . 1 . 2]" 1
11 1 3 TYR QB 1 3 TYR QE 3.000 . 4.000 3.945 3.932 3.959 . 0 0 "[ . 1 . 2]" 1
12 1 3 TYR H 1 3 TYR QB . . 3.000 2.526 2.053 3.026 0.026 19 0 "[ . 1 . 2]" 1
13 1 4 LYS HA 1 4 LYS QB 2.500 . 3.000 2.261 2.175 2.522 . 0 0 "[ . 1 . 2]" 1
14 1 4 LYS HA 1 4 LYS QG 3.000 . 4.000 3.077 2.208 3.429 . 0 0 "[ . 1 . 2]" 1
15 1 4 LYS H 1 4 LYS HA 3.000 . 3.000 2.841 2.266 2.946 . 0 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 4 LYS QB 3.000 . 3.000 2.596 2.101 3.073 0.073 15 0 "[ . 1 . 2]" 1
17 1 5 LEU HA 1 5 LEU QB 2.500 . 3.000 2.292 2.137 2.463 . 0 0 "[ . 1 . 2]" 1
18 1 5 LEU HA 1 5 LEU MD1 2.500 . 3.000 3.031 3.004 3.147 0.147 6 0 "[ . 1 . 2]" 1
19 1 5 LEU H 1 5 LEU HA 3.000 . 3.000 2.824 2.260 2.943 . 0 0 "[ . 1 . 2]" 1
20 1 5 LEU QB 1 5 LEU MD1 2.500 . 3.000 2.100 1.946 2.180 . 0 0 "[ . 1 . 2]" 1
21 1 5 LEU QB 1 5 LEU HG 2.500 . 3.000 2.278 2.137 2.498 . 0 0 "[ . 1 . 2]" 1
22 1 5 LEU H 1 5 LEU QB 3.000 . 3.000 2.419 2.243 3.044 0.044 6 0 "[ . 1 . 2]" 1
23 1 5 LEU H 1 5 LEU MD1 . 2.800 4.000 3.978 2.702 4.094 0.098 6 0 "[ . 1 . 2]" 1
24 1 6 ILE HA 1 6 ILE HB 3.000 . 4.000 2.459 2.375 2.532 . 0 0 "[ . 1 . 2]" 1
25 1 6 ILE HA 1 6 ILE MD 2.500 . 3.000 2.018 1.867 2.847 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE HA 1 6 ILE QG 3.000 . 4.000 2.876 2.286 3.144 . 0 0 "[ . 1 . 2]" 1
27 1 6 ILE H 1 6 ILE HA 2.500 . 3.000 2.782 2.274 2.910 . 0 0 "[ . 1 . 2]" 1
28 1 4 LYS QG 1 6 ILE HB 3.000 . 4.000 3.776 2.233 4.049 0.049 12 0 "[ . 1 . 2]" 1
29 1 6 ILE HB 1 6 ILE MD 2.500 . 3.000 2.370 2.092 2.535 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE H 1 6 ILE HB 3.000 . 3.000 2.569 2.359 2.899 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE HB 1 7 LEU HA 4.500 2.800 6.000 5.883 5.717 5.992 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE H 1 6 ILE MD 3.000 . 4.000 3.994 3.799 4.052 0.052 20 0 "[ . 1 . 2]" 1
33 1 7 LEU HA 1 7 LEU QB 2.500 . 3.000 2.272 2.166 2.485 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU HA 1 7 LEU MD1 3.000 . 4.000 3.846 3.523 4.012 0.012 1 0 "[ . 1 . 2]" 1
35 1 7 LEU HA 1 7 LEU HG 3.000 . 4.000 3.164 2.400 3.669 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU H 1 7 LEU HA 2.500 . 3.000 2.887 2.269 2.948 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU QB 1 7 LEU MD1 2.500 . 3.000 2.003 1.931 2.106 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU QB 1 7 LEU HG 2.500 . 3.000 2.495 2.360 2.540 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU H 1 7 LEU QB 3.000 . 3.000 2.691 2.215 3.108 0.108 5 0 "[ . 1 . 2]" 1
40 1 8 ASN HA 1 8 ASN HB3 3.000 . 4.000 2.658 2.377 2.951 . 0 0 "[ . 1 . 2]" 1
41 1 8 ASN HA 1 8 ASN HB2 2.500 . 3.000 2.949 2.721 3.027 0.027 4 0 "[ . 1 . 2]" 1
42 1 8 ASN H 1 8 ASN HA 3.000 . 4.000 2.795 2.271 2.948 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE MD 1 8 ASN HB3 4.500 2.800 6.000 5.578 4.326 6.064 0.064 20 0 "[ . 1 . 2]" 1
44 1 6 ILE MD 1 8 ASN HB2 4.000 . 5.500 4.792 2.904 5.546 0.046 8 0 "[ . 1 . 2]" 1
45 1 8 ASN H 1 8 ASN HB3 4.000 2.800 5.500 3.762 3.344 4.093 . 0 0 "[ . 1 . 2]" 1
46 1 8 ASN H 1 8 ASN HB2 4.000 2.800 5.500 2.910 2.739 3.304 0.061 9 0 "[ . 1 . 2]" 1
47 1 8 ASN HB3 1 9 LEU H 4.000 . 4.000 2.709 1.980 4.002 0.002 9 0 "[ . 1 . 2]" 1
48 1 8 ASN HB2 1 9 LEU H 3.000 . 4.000 3.845 3.518 4.089 0.089 5 0 "[ . 1 . 2]" 1
49 1 9 LEU HA 1 9 LEU MD1 3.000 . 4.000 4.003 3.685 4.071 0.071 2 0 "[ . 1 . 2]" 1
50 1 9 LEU HA 1 9 LEU HG 3.000 . 4.000 3.507 2.352 3.669 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU HA 1 10 LYS H 4.000 . 5.500 3.488 3.480 3.519 . 0 0 "[ . 1 . 2]" 1
52 1 9 LEU HA 1 11 GLN H 4.000 . 5.500 4.207 3.853 4.440 . 0 0 "[ . 1 . 2]" 1
53 1 9 LEU HA 1 12 ALA MB 3.000 . 4.000 3.165 2.736 3.610 . 0 0 "[ . 1 . 2]" 1
54 1 9 LEU HA 1 39 VAL MG1 3.000 . 4.000 2.055 1.820 2.853 . 0 0 "[ . 1 . 2]" 1
55 1 9 LEU QB 1 10 LYS H 4.500 2.800 6.000 3.317 2.758 3.518 0.042 5 0 "[ . 1 . 2]" 1
56 1 8 ASN HA 1 9 LEU MD1 4.000 . 5.500 5.517 5.280 5.649 0.149 1 0 "[ . 1 . 2]" 1
57 1 8 ASN HB3 1 9 LEU MD1 4.000 . 5.500 5.238 4.422 5.521 0.021 7 0 "[ . 1 . 2]" 1
58 1 9 LEU MD1 1 38 THR H 4.500 2.800 6.000 4.568 3.196 5.270 . 0 0 "[ . 1 . 2]" 1
59 1 9 LEU MD1 1 42 VAL HB 4.500 2.800 6.000 5.658 5.284 6.052 0.052 9 0 "[ . 1 . 2]" 1
60 1 10 LYS HA 1 10 LYS QB 2.500 . 3.000 2.392 2.144 2.538 . 0 0 "[ . 1 . 2]" 1
61 1 10 LYS HA 1 11 GLN H 3.000 . 4.000 3.572 3.547 3.583 . 0 0 "[ . 1 . 2]" 1
62 1 13 LYS HA 1 13 LYS QD 3.000 . 4.000 3.767 3.702 3.879 . 0 0 "[ . 1 . 2]" 1
63 1 10 LYS QB 1 10 LYS QD 3.000 . 4.000 2.150 1.944 2.459 . 0 0 "[ . 1 . 2]" 1
64 1 10 LYS H 1 10 LYS QB . . 3.000 2.438 2.037 2.722 . 0 0 "[ . 1 . 2]" 1
65 1 10 LYS QB 1 11 GLN H 3.000 . 3.000 2.505 2.329 3.070 0.070 17 0 "[ . 1 . 2]" 1
66 1 11 GLN HA 1 11 GLN QB 2.500 . 3.000 2.185 2.166 2.301 . 0 0 "[ . 1 . 2]" 1
67 1 11 GLN HA 1 11 GLN HG3 3.000 . 4.000 3.638 3.521 3.872 . 0 0 "[ . 1 . 2]" 1
68 1 11 GLN H 1 11 GLN HA 3.000 . 3.000 2.745 2.723 2.773 . 0 0 "[ . 1 . 2]" 1
69 1 11 GLN HA 1 12 ALA H 4.000 . 5.500 3.511 3.490 3.555 . 0 0 "[ . 1 . 2]" 1
70 1 11 GLN QB 1 11 GLN HG3 2.500 . 3.000 2.447 2.128 2.527 . 0 0 "[ . 1 . 2]" 1
71 1 11 GLN H 1 11 GLN QB 3.000 . 3.000 2.647 2.563 2.713 . 0 0 "[ . 1 . 2]" 1
72 1 9 LEU H 1 11 GLN HG3 4.000 . 5.500 5.150 4.712 5.508 0.008 5 0 "[ . 1 . 2]" 1
73 1 9 LEU H 1 11 GLN HG2 4.000 . 5.500 5.102 4.573 5.535 0.035 16 0 "[ . 1 . 2]" 1
74 1 10 LYS H 1 11 GLN HG3 4.500 2.800 6.000 4.567 3.992 5.145 . 0 0 "[ . 1 . 2]" 1
75 1 10 LYS H 1 11 GLN HG2 4.500 2.800 6.000 4.597 4.106 5.148 . 0 0 "[ . 1 . 2]" 1
76 1 11 GLN HA 1 11 GLN HG2 4.000 . 5.500 3.763 2.750 4.042 . 0 0 "[ . 1 . 2]" 1
77 1 11 GLN H 1 11 GLN HG3 4.000 . 5.500 2.491 1.934 2.940 . 0 0 "[ . 1 . 2]" 1
78 1 11 GLN H 1 11 GLN HG2 4.000 . 5.500 2.341 1.846 2.875 . 0 0 "[ . 1 . 2]" 1
79 1 12 ALA HA 1 15 GLU QB 4.000 . 5.500 1.963 1.926 2.043 . 0 0 "[ . 1 . 2]" 1
80 1 12 ALA HA 1 15 GLU HG2 4.500 2.800 6.000 2.885 2.798 2.976 0.002 13 0 "[ . 1 . 2]" 1
81 1 12 ALA HA 1 33 ILE MD 4.500 2.800 6.000 4.729 4.656 4.857 . 0 0 "[ . 1 . 2]" 1
82 1 12 ALA HA 1 43 TRP HD1 4.000 . 5.500 4.042 3.904 4.304 . 0 0 "[ . 1 . 2]" 1
83 1 12 ALA HA 1 43 TRP HE3 4.500 2.800 6.000 5.592 5.484 5.871 . 0 0 "[ . 1 . 2]" 1
84 1 12 ALA H 1 12 ALA MB 3.000 . 4.000 2.197 2.147 2.218 . 0 0 "[ . 1 . 2]" 1
85 1 12 ALA MB 1 13 LYS H 3.000 . 4.000 2.751 2.675 2.851 . 0 0 "[ . 1 . 2]" 1
86 1 12 ALA MB 1 34 ALA H 4.500 2.800 6.000 6.062 6.032 6.100 0.100 17 0 "[ . 1 . 2]" 1
87 1 12 ALA MB 1 39 VAL HA 4.500 2.800 5.500 2.810 2.731 2.968 0.069 7 0 "[ . 1 . 2]" 1
88 1 12 ALA MB 1 42 VAL HA 4.000 . 5.500 4.060 4.028 4.089 . 0 0 "[ . 1 . 2]" 1
89 1 12 ALA MB 1 42 VAL HB 4.000 . 5.500 1.802 1.782 1.828 0.018 16 0 "[ . 1 . 2]" 1
90 1 12 ALA MB 1 42 VAL MG2 2.500 . 3.000 2.511 2.357 2.608 . 0 0 "[ . 1 . 2]" 1
91 1 12 ALA MB 1 43 TRP HD1 4.000 . 5.500 2.232 2.114 2.417 . 0 0 "[ . 1 . 2]" 1
92 1 12 ALA MB 1 43 TRP HE3 4.500 2.800 6.000 5.252 5.131 5.364 . 0 0 "[ . 1 . 2]" 1
93 1 12 ALA H 1 13 LYS HA 4.500 2.800 6.000 5.004 4.962 5.104 . 0 0 "[ . 1 . 2]" 1
94 1 13 LYS H 1 13 LYS HA 4.000 2.800 5.500 2.797 2.776 2.807 0.024 13 0 "[ . 1 . 2]" 1
95 1 13 LYS HA 1 14 GLU H 4.500 2.800 6.000 3.503 3.495 3.509 . 0 0 "[ . 1 . 2]" 1
96 1 13 LYS HA 1 33 ILE HA 4.500 2.800 6.000 6.055 5.868 6.129 0.129 14 0 "[ . 1 . 2]" 1
97 1 13 LYS HA 1 33 ILE MD 4.000 . 5.500 1.791 1.783 1.812 0.017 9 0 "[ . 1 . 2]" 1
98 1 13 LYS HA 1 42 VAL MG2 4.000 . 5.500 3.496 3.320 3.593 . 0 0 "[ . 1 . 2]" 1
99 1 10 LYS HA 1 13 LYS QB 3.000 . 4.000 1.909 1.816 2.197 . 0 0 "[ . 1 . 2]" 1
100 1 10 LYS H 1 13 LYS QB 3.000 . 4.000 4.123 4.030 4.175 0.175 12 0 "[ . 1 . 2]" 1
101 1 13 LYS QB 1 13 LYS QD 2.500 . 3.000 2.182 2.021 2.224 . 0 0 "[ . 1 . 2]" 1
102 1 13 LYS H 1 13 LYS QB 3.000 . 3.000 2.045 2.033 2.059 . 0 0 "[ . 1 . 2]" 1
103 1 13 LYS QB 1 33 ILE MD 4.000 . 5.500 3.032 2.953 3.082 . 0 0 "[ . 1 . 2]" 1
104 1 13 LYS QB 1 34 ALA H 4.000 . 4.000 4.052 4.018 4.072 0.072 19 0 "[ . 1 . 2]" 1
105 1 13 LYS QD 1 14 GLU HA 3.000 . 4.000 2.855 2.401 3.339 . 0 0 "[ . 1 . 2]" 1
106 1 14 GLU H 1 14 GLU HA 3.000 . 4.000 2.877 2.873 2.881 . 0 0 "[ . 1 . 2]" 1
107 1 14 GLU HA 1 17 ILE H 3.000 . 4.000 3.199 3.133 3.318 . 0 0 "[ . 1 . 2]" 1
108 1 14 GLU H 1 14 GLU QB 3.000 . 3.000 2.379 2.196 2.770 . 0 0 "[ . 1 . 2]" 1
109 1 14 GLU QB 1 15 GLU H 4.500 2.800 6.000 2.934 2.759 3.512 0.041 2 0 "[ . 1 . 2]" 1
110 1 14 GLU HA 1 14 GLU QG 4.500 2.800 6.000 2.912 2.688 3.342 0.112 14 0 "[ . 1 . 2]" 1
111 1 14 GLU H 1 14 GLU QG 3.000 . 4.000 3.290 1.860 4.006 0.006 20 0 "[ . 1 . 2]" 1
112 1 14 GLU QG 1 15 GLU H 3.000 . 4.000 3.397 2.158 4.004 0.004 2 0 "[ . 1 . 2]" 1
113 1 15 GLU HA 1 15 GLU QB 2.500 . 3.000 2.518 2.505 2.522 . 0 0 "[ . 1 . 2]" 1
114 1 14 GLU H 1 15 GLU QB 3.000 . 4.000 4.051 4.037 4.066 0.066 10 0 "[ . 1 . 2]" 1
115 1 15 GLU QB 1 15 GLU HG3 2.500 . 3.000 2.172 2.147 2.372 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU H 1 15 GLU QB 3.000 . 3.000 2.115 2.101 2.146 . 0 0 "[ . 1 . 2]" 1
117 1 14 GLU H 1 15 GLU HG3 4.500 2.800 6.000 6.054 6.036 6.090 0.090 18 0 "[ . 1 . 2]" 1
118 1 14 GLU H 1 15 GLU HG2 4.500 2.800 6.000 5.031 4.861 6.041 0.041 18 0 "[ . 1 . 2]" 1
119 1 15 GLU HA 1 15 GLU HG3 3.000 . 4.000 3.467 2.314 3.602 . 0 0 "[ . 1 . 2]" 1
120 1 15 GLU HA 1 15 GLU HG2 4.000 . 5.500 2.783 2.651 3.571 . 0 0 "[ . 1 . 2]" 1
121 1 15 GLU H 1 15 GLU HG3 4.000 . 5.500 4.016 3.867 4.046 . 0 0 "[ . 1 . 2]" 1
122 1 15 GLU H 1 15 GLU HG2 4.000 . 5.500 3.085 2.943 4.043 . 0 0 "[ . 1 . 2]" 1
123 1 15 GLU HG3 1 16 ALA H 4.500 2.800 6.000 4.934 4.897 4.954 . 0 0 "[ . 1 . 2]" 1
124 1 15 GLU HG2 1 16 ALA H 4.500 2.800 6.000 4.790 4.754 4.968 . 0 0 "[ . 1 . 2]" 1
125 1 15 GLU HG3 1 43 TRP HH2 4.000 2.800 5.500 3.146 3.108 3.168 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLU HG2 1 43 TRP HH2 4.500 2.800 6.000 3.232 3.095 3.323 . 0 0 "[ . 1 . 2]" 1
127 1 16 ALA H 1 16 ALA HA 4.000 2.800 5.500 2.858 2.850 2.881 . 0 0 "[ . 1 . 2]" 1
128 1 16 ALA HA 1 18 LYS H 4.000 . 5.500 4.462 4.309 4.587 . 0 0 "[ . 1 . 2]" 1
129 1 16 ALA HA 1 19 GLU HB2 4.000 . 5.500 2.753 2.528 2.928 . 0 0 "[ . 1 . 2]" 1
130 1 16 ALA HA 1 33 ILE MD 4.000 . 5.500 4.078 4.041 4.113 . 0 0 "[ . 1 . 2]" 1
131 1 13 LYS HA 1 16 ALA MB 4.000 . 5.500 3.640 3.554 3.735 . 0 0 "[ . 1 . 2]" 1
132 1 13 LYS H 1 16 ALA MB 4.000 . 5.500 5.552 5.534 5.575 0.075 18 0 "[ . 1 . 2]" 1
133 1 16 ALA H 1 16 ALA MB 3.000 . 4.000 2.227 2.066 2.251 . 0 0 "[ . 1 . 2]" 1
134 1 16 ALA MB 1 19 GLU HB2 4.000 . 5.500 4.121 3.908 4.292 . 0 0 "[ . 1 . 2]" 1
135 1 16 ALA MB 1 33 ILE MD 2.500 . 3.000 1.740 1.709 1.775 0.091 17 0 "[ . 1 . 2]" 1
136 1 14 GLU HA 1 17 ILE HA 4.500 2.800 6.000 4.902 4.853 5.020 . 0 0 "[ . 1 . 2]" 1
137 1 17 ILE HA 1 17 ILE HB 4.500 2.800 5.500 2.993 2.970 3.012 . 0 0 "[ . 1 . 2]" 1
138 1 17 ILE HA 1 17 ILE MD 4.000 . 5.500 3.470 1.936 3.768 . 0 0 "[ . 1 . 2]" 1
139 1 17 ILE HA 1 17 ILE MG 4.500 2.800 6.000 2.670 2.620 2.731 0.180 18 0 "[ . 1 . 2]" 1
140 1 17 ILE HA 1 18 LYS H 4.500 2.800 6.000 3.557 3.546 3.569 . 0 0 "[ . 1 . 2]" 1
141 1 17 ILE HA 1 21 VAL H 4.500 2.800 6.000 4.020 3.855 4.541 . 0 0 "[ . 1 . 2]" 1
142 1 17 ILE H 1 17 ILE HB 3.000 . 3.000 2.289 2.224 2.368 . 0 0 "[ . 1 . 2]" 1
143 1 17 ILE HB 1 18 LYS HA 4.000 . 5.500 4.633 4.520 4.761 . 0 0 "[ . 1 . 2]" 1
144 1 17 ILE HB 1 18 LYS H 4.000 . 5.500 2.693 2.608 2.863 . 0 0 "[ . 1 . 2]" 1
145 1 18 LYS HA 1 18 LYS QB 2.500 . 3.000 2.477 2.348 2.541 . 0 0 "[ . 1 . 2]" 1
146 1 18 LYS H 1 18 LYS HA 3.000 . 4.000 2.813 2.797 2.827 . 0 0 "[ . 1 . 2]" 1
147 1 18 LYS HA 1 19 GLU H 4.000 . 5.500 3.549 3.530 3.559 . 0 0 "[ . 1 . 2]" 1
148 1 18 LYS HA 1 21 VAL MG1 4.000 . 5.500 4.685 4.326 4.894 . 0 0 "[ . 1 . 2]" 1
149 1 18 LYS H 1 18 LYS QB 3.000 . 3.000 2.150 2.042 2.340 . 0 0 "[ . 1 . 2]" 1
150 1 18 LYS QB 1 19 GLU H 3.000 . 4.000 2.518 2.368 2.646 . 0 0 "[ . 1 . 2]" 1
151 1 19 GLU HA 1 19 GLU HB2 3.000 . 4.000 3.020 3.017 3.023 . 0 0 "[ . 1 . 2]" 1
152 1 19 GLU HA 1 19 GLU HB3 2.500 . 3.000 2.413 2.380 2.441 . 0 0 "[ . 1 . 2]" 1
153 1 19 GLU HB3 1 19 GLU QG 2.500 . 3.000 2.475 2.454 2.497 . 0 0 "[ . 1 . 2]" 1
154 1 19 GLU HB2 1 19 GLU QG 2.500 . 3.000 2.138 2.132 2.144 . 0 0 "[ . 1 . 2]" 1
155 1 19 GLU H 1 19 GLU HB3 3.000 . 4.000 3.578 3.566 3.594 . 0 0 "[ . 1 . 2]" 1
156 1 19 GLU H 1 19 GLU HB2 3.000 . 3.000 2.587 2.505 2.664 . 0 0 "[ . 1 . 2]" 1
157 1 19 GLU HB3 1 20 LEU MD1 3.000 . 4.000 4.058 3.960 4.090 0.090 9 0 "[ . 1 . 2]" 1
158 1 19 GLU HB2 1 20 LEU MD1 3.000 . 4.000 2.952 2.833 3.147 . 0 0 "[ . 1 . 2]" 1
159 1 18 LYS H 1 19 GLU QG 3.000 . 4.000 4.083 4.057 4.111 0.111 17 0 "[ . 1 . 2]" 1
160 1 19 GLU H 1 19 GLU QG . . 3.000 1.982 1.898 2.119 . 0 0 "[ . 1 . 2]" 1
161 1 20 LEU HA 1 20 LEU MD1 2.500 . 3.000 2.464 2.307 2.639 . 0 0 "[ . 1 . 2]" 1
162 1 20 LEU H 1 20 LEU HA 3.000 . 3.000 2.818 2.788 2.850 . 0 0 "[ . 1 . 2]" 1
163 1 21 VAL HA 1 21 VAL HB 4.500 2.800 6.000 2.982 2.691 3.026 0.109 15 0 "[ . 1 . 2]" 1
164 1 21 VAL HA 1 21 VAL MG1 2.500 . 3.000 2.274 2.139 2.379 . 0 0 "[ . 1 . 2]" 1
165 1 21 VAL H 1 21 VAL MG1 3.000 . 4.000 3.689 2.972 3.782 . 0 0 "[ . 1 . 2]" 1
166 1 21 VAL MG1 1 22 ASP H 4.000 . 5.500 3.875 3.680 4.246 . 0 0 "[ . 1 . 2]" 1
167 1 22 ASP H 1 22 ASP HA 3.000 . 4.000 2.844 2.823 2.867 . 0 0 "[ . 1 . 2]" 1
168 1 22 ASP HA 1 22 ASP HB3 4.500 2.800 6.000 2.925 2.787 3.008 0.013 13 0 "[ . 1 . 2]" 1
169 1 22 ASP H 1 22 ASP HB3 4.000 . 5.500 3.032 2.724 3.355 . 0 0 "[ . 1 . 2]" 1
170 1 22 ASP H 1 22 ASP HB2 3.000 . 4.000 2.180 2.074 2.368 . 0 0 "[ . 1 . 2]" 1
171 1 22 ASP HB3 1 23 ALA MB 4.000 . 5.500 3.300 3.241 3.375 . 0 0 "[ . 1 . 2]" 1
172 1 22 ASP HB2 1 23 ALA MB 4.000 . 5.500 4.558 4.201 4.799 . 0 0 "[ . 1 . 2]" 1
173 1 22 ASP HB3 1 23 ALA H 4.000 . 5.500 3.207 3.057 3.474 . 0 0 "[ . 1 . 2]" 1
174 1 22 ASP HB2 1 23 ALA H 4.500 2.800 6.000 3.702 3.380 3.983 . 0 0 "[ . 1 . 2]" 1
175 1 20 LEU HA 1 23 ALA MB 3.000 . 4.000 4.026 3.859 4.090 0.090 5 0 "[ . 1 . 2]" 1
176 1 23 ALA MB 1 24 GLY H 3.000 2.800 4.000 2.747 2.701 2.774 0.099 10 0 "[ . 1 . 2]" 1
177 1 24 GLY H 1 24 GLY HA3 3.000 . 3.000 2.302 2.292 2.309 . 0 0 "[ . 1 . 2]" 1
178 1 24 GLY H 1 24 GLY HA2 3.000 . 3.000 2.793 2.729 2.853 . 0 0 "[ . 1 . 2]" 1
179 1 24 GLY HA3 1 25 THR MG 4.500 2.800 6.000 4.817 3.982 4.986 . 0 0 "[ . 1 . 2]" 1
180 1 24 GLY HA2 1 25 THR MG 4.500 2.800 6.000 3.846 3.549 3.984 . 0 0 "[ . 1 . 2]" 1
181 1 24 GLY HA3 1 25 THR H 4.500 2.800 6.000 3.363 2.708 3.554 0.092 10 0 "[ . 1 . 2]" 1
182 1 24 GLY HA2 1 25 THR H 4.000 . 5.500 2.422 2.140 3.586 . 0 0 "[ . 1 . 2]" 1
183 1 25 THR HA 1 25 THR MG 3.000 . 4.000 3.189 3.144 3.199 . 0 0 "[ . 1 . 2]" 1
184 1 25 THR H 1 25 THR HA . . 3.000 2.871 2.302 2.946 . 0 0 "[ . 1 . 2]" 1
185 1 25 THR HA 1 26 ALA H 3.000 . 4.000 2.947 2.640 3.520 . 0 0 "[ . 1 . 2]" 1
186 1 25 THR HA 1 49 ILE HA 4.000 . 5.500 5.617 5.552 5.705 0.205 11 0 "[ . 1 . 2]" 1
187 1 25 THR HA 1 52 PHE QE 4.500 2.800 6.000 3.037 2.750 3.656 0.050 2 0 "[ . 1 . 2]" 1
188 1 25 THR H 1 25 THR HB . . 3.000 3.051 2.720 3.116 0.116 20 0 "[ . 1 . 2]" 1
189 1 25 THR HB 1 26 ALA H 4.500 2.800 6.000 3.370 3.294 3.485 . 0 0 "[ . 1 . 2]" 1
190 1 25 THR HB 1 52 PHE QE 4.500 2.800 6.000 2.986 2.691 3.746 0.109 4 0 "[ . 1 . 2]" 1
191 1 26 ALA H 1 26 ALA HA 3.000 . 3.000 2.908 2.779 2.946 . 0 0 "[ . 1 . 2]" 1
192 1 26 ALA HA 1 27 GLU H 2.500 . 3.000 2.190 2.131 2.407 . 0 0 "[ . 1 . 2]" 1
193 1 26 ALA H 1 26 ALA MB 3.000 . 3.000 2.579 2.290 2.941 . 0 0 "[ . 1 . 2]" 1
194 1 26 ALA MB 1 27 GLU HA 4.500 2.800 6.000 4.580 4.233 4.746 . 0 0 "[ . 1 . 2]" 1
195 1 26 ALA MB 1 27 GLU H 3.000 . 4.000 3.161 2.532 3.483 . 0 0 "[ . 1 . 2]" 1
196 1 27 GLU HA 1 27 GLU QG 4.500 2.800 5.500 3.203 2.702 3.427 0.098 6 0 "[ . 1 . 2]" 1
197 1 27 GLU H 1 27 GLU HA 4.500 2.800 5.500 2.742 2.653 2.890 0.147 13 0 "[ . 1 . 2]" 1
198 1 27 GLU HA 1 30 PHE QD 4.500 2.800 6.000 2.746 2.708 2.794 0.092 14 0 "[ . 1 . 2]" 1
199 1 27 GLU H 1 27 GLU QB 3.000 . 3.000 2.657 2.373 2.899 . 0 0 "[ . 1 . 2]" 1
200 1 27 GLU QB 1 30 PHE QD 4.500 2.800 6.000 3.747 3.531 4.063 . 0 0 "[ . 1 . 2]" 1
201 1 27 GLU H 1 27 GLU QG 4.000 . 5.500 2.124 1.925 3.180 . 0 0 "[ . 1 . 2]" 1
202 1 27 GLU QG 1 30 PHE QD 4.000 . 5.500 5.105 4.080 5.351 . 0 0 "[ . 1 . 2]" 1
203 1 28 LYS HA 1 28 LYS QD 2.500 . 3.000 2.136 1.926 3.019 0.019 20 0 "[ . 1 . 2]" 1
204 1 28 LYS H 1 28 LYS HA 3.000 . 4.000 2.732 2.670 2.753 . 0 0 "[ . 1 . 2]" 1
205 1 28 LYS HA 1 29 TYR H 4.500 2.800 6.000 3.482 3.446 3.542 . 0 0 "[ . 1 . 2]" 1
206 1 29 TYR H 1 29 TYR HA 4.000 2.800 5.500 2.835 2.779 2.885 0.021 9 0 "[ . 1 . 2]" 1
207 1 29 TYR HA 1 32 LEU HB2 4.000 . 5.500 2.551 2.392 2.718 . 0 0 "[ . 1 . 2]" 1
208 1 16 ALA MB 1 29 TYR HB3 4.500 2.800 6.000 3.870 3.499 4.222 . 0 0 "[ . 1 . 2]" 1
209 1 16 ALA MB 1 29 TYR HB2 4.500 2.800 6.000 3.913 3.724 4.214 . 0 0 "[ . 1 . 2]" 1
210 1 29 TYR HB3 1 29 TYR QE 4.500 2.800 6.000 4.480 4.468 4.504 . 0 0 "[ . 1 . 2]" 1
211 1 29 TYR HB2 1 29 TYR QE 4.500 2.800 6.000 4.389 4.378 4.414 . 0 0 "[ . 1 . 2]" 1
212 1 29 TYR H 1 29 TYR HB3 4.000 2.800 5.500 3.640 3.619 3.671 . 0 0 "[ . 1 . 2]" 1
213 1 29 TYR HB3 1 30 PHE H 4.500 2.800 6.000 3.592 3.500 3.837 . 0 0 "[ . 1 . 2]" 1
214 1 29 TYR HB2 1 30 PHE H 4.000 . 5.500 2.432 2.330 2.720 . 0 0 "[ . 1 . 2]" 1
215 1 29 TYR HB3 1 33 ILE QG 4.000 . 5.500 3.927 3.708 4.210 . 0 0 "[ . 1 . 2]" 1
216 1 29 TYR HB2 1 33 ILE QG 4.000 . 5.500 4.433 4.333 4.576 . 0 0 "[ . 1 . 2]" 1
217 1 29 TYR HB3 1 49 ILE MD 4.000 . 5.500 2.712 1.939 5.545 0.045 13 0 "[ . 1 . 2]" 1
218 1 29 TYR HB2 1 49 ILE MD 4.000 . 5.500 3.070 2.303 5.041 . 0 0 "[ . 1 . 2]" 1
219 1 30 PHE HA 1 30 PHE QD 3.000 . 4.000 3.658 3.637 3.670 . 0 0 "[ . 1 . 2]" 1
220 1 30 PHE HA 1 31 LYS H 3.000 . 4.000 3.446 3.442 3.453 . 0 0 "[ . 1 . 2]" 1
221 1 27 GLU HA 1 30 PHE QB 4.000 . 5.500 4.290 4.181 4.398 . 0 0 "[ . 1 . 2]" 1
222 1 31 LYS HA 1 31 LYS QB 2.500 . 3.000 2.484 2.180 2.542 . 0 0 "[ . 1 . 2]" 1
223 1 31 LYS HA 1 31 LYS QG 3.000 . 4.000 2.278 2.015 3.415 . 0 0 "[ . 1 . 2]" 1
224 1 31 LYS H 1 31 LYS HA 3.000 2.800 4.000 2.894 2.880 2.905 . 0 0 "[ . 1 . 2]" 1
225 1 31 LYS HA 1 32 LEU H 4.500 2.800 6.000 3.477 3.435 3.514 . 0 0 "[ . 1 . 2]" 1
226 1 31 LYS H 1 31 LYS QB 3.000 . 3.000 2.211 2.101 2.716 . 0 0 "[ . 1 . 2]" 1
227 1 31 LYS QB 1 35 ASN HB3 4.000 . 5.500 5.550 5.532 5.575 0.075 4 0 "[ . 1 . 2]" 1
228 1 30 PHE QD 1 31 LYS QG 4.500 2.800 6.000 2.993 2.779 4.163 0.021 14 0 "[ . 1 . 2]" 1
229 1 31 LYS H 1 31 LYS QG 4.000 . 4.000 3.289 1.933 4.062 0.062 4 0 "[ . 1 . 2]" 1
230 1 32 LEU HA 1 32 LEU HB2 2.500 . 3.000 2.876 2.839 2.924 . 0 0 "[ . 1 . 2]" 1
231 1 32 LEU H 1 32 LEU HA 4.500 2.800 6.000 2.864 2.830 2.892 . 0 0 "[ . 1 . 2]" 1
232 1 31 LYS H 1 32 LEU HB2 3.000 . 4.000 4.075 4.058 4.092 0.092 14 0 "[ . 1 . 2]" 1
233 1 32 LEU HB3 1 32 LEU MD1 3.000 . 4.000 2.565 2.225 3.047 . 0 0 "[ . 1 . 2]" 1
234 1 32 LEU HB2 1 32 LEU MD1 2.500 . 3.000 2.189 1.978 2.431 . 0 0 "[ . 1 . 2]" 1
235 1 32 LEU H 1 32 LEU HB3 4.000 . 5.500 3.269 3.183 3.367 . 0 0 "[ . 1 . 2]" 1
236 1 32 LEU H 1 32 LEU HB2 4.000 . 5.500 2.066 2.040 2.101 . 0 0 "[ . 1 . 2]" 1
237 1 33 ILE H 1 33 ILE HB 4.000 2.800 5.500 3.616 3.596 3.637 . 0 0 "[ . 1 . 2]" 1
238 1 34 ALA H 1 34 ALA HA 3.000 . 4.000 2.782 2.765 2.800 . 0 0 "[ . 1 . 2]" 1
239 1 30 PHE QB 1 34 ALA MB 3.000 . 4.000 3.991 3.857 4.046 0.046 16 0 "[ . 1 . 2]" 1
240 1 34 ALA H 1 34 ALA MB 3.000 . 3.000 2.156 2.105 2.220 . 0 0 "[ . 1 . 2]" 1
241 1 34 ALA MB 1 35 ASN HA 4.000 . 4.000 3.889 3.847 3.964 . 0 0 "[ . 1 . 2]" 1
242 1 34 ALA MB 1 35 ASN H 2.500 . 3.000 2.885 2.805 2.940 . 0 0 "[ . 1 . 2]" 1
243 1 35 ASN HA 1 35 ASN HB3 3.000 . 4.000 2.942 2.466 3.030 . 0 0 "[ . 1 . 2]" 1
244 1 35 ASN HA 1 35 ASN HB2 3.000 . 4.000 2.396 2.343 2.438 . 0 0 "[ . 1 . 2]" 1
245 1 35 ASN H 1 35 ASN HA 3.000 . 4.000 2.884 2.854 2.929 . 0 0 "[ . 1 . 2]" 1
246 1 35 ASN H 1 35 ASN HB3 3.000 . 4.000 2.411 2.261 2.770 . 0 0 "[ . 1 . 2]" 1
247 1 35 ASN H 1 35 ASN HB2 3.000 . 4.000 2.939 2.693 3.707 . 0 0 "[ . 1 . 2]" 1
248 1 35 ASN HB3 1 36 ALA MB 4.500 2.800 6.000 4.636 4.291 5.772 . 0 0 "[ . 1 . 2]" 1
249 1 36 ALA H 1 36 ALA HA 3.000 . 4.000 2.805 2.765 2.859 . 0 0 "[ . 1 . 2]" 1
250 1 9 LEU MD1 1 36 ALA MB 3.000 . 4.000 3.958 3.641 4.112 0.112 9 0 "[ . 1 . 2]" 1
251 1 33 ILE HA 1 36 ALA MB 4.500 2.800 6.000 2.737 2.668 2.776 0.132 8 0 "[ . 1 . 2]" 1
252 1 33 ILE H 1 36 ALA MB 4.000 . 5.500 5.009 4.912 5.050 . 0 0 "[ . 1 . 2]" 1
253 1 35 ASN HA 1 36 ALA MB 4.500 2.800 6.000 4.944 4.797 4.984 . 0 0 "[ . 1 . 2]" 1
254 1 36 ALA H 1 36 ALA MB 2.500 . 3.000 2.218 2.135 2.250 . 0 0 "[ . 1 . 2]" 1
255 1 36 ALA MB 1 37 LYS H 4.000 . 5.500 2.922 1.958 3.357 . 0 0 "[ . 1 . 2]" 1
256 1 36 ALA MB 1 41 GLY H 4.500 2.800 6.000 3.958 3.819 4.223 . 0 0 "[ . 1 . 2]" 1
257 1 36 ALA MB 1 42 VAL MG2 2.500 . 3.000 2.070 1.861 2.279 . 0 0 "[ . 1 . 2]" 1
258 1 9 LEU QB 1 37 LYS HA 3.000 . 4.000 4.002 3.588 4.156 0.156 9 0 "[ . 1 . 2]" 1
259 1 37 LYS HA 1 37 LYS HB3 3.000 . 4.000 2.640 2.340 2.990 . 0 0 "[ . 1 . 2]" 1
260 1 37 LYS HA 1 37 LYS HB2 3.000 . 4.000 2.741 2.461 3.029 . 0 0 "[ . 1 . 2]" 1
261 1 37 LYS HA 1 37 LYS QG 3.000 . 4.000 2.659 2.035 3.384 . 0 0 "[ . 1 . 2]" 1
262 1 37 LYS H 1 37 LYS HA . . 3.000 2.780 2.275 2.935 . 0 0 "[ . 1 . 2]" 1
263 1 37 LYS HA 1 38 THR H 4.000 . 5.500 3.342 3.028 3.487 . 0 0 "[ . 1 . 2]" 1
264 1 37 LYS H 1 37 LYS HB3 4.500 2.800 6.000 3.240 2.790 4.088 0.010 15 0 "[ . 1 . 2]" 1
265 1 37 LYS H 1 37 LYS HB2 4.000 . 5.500 2.888 2.099 3.753 . 0 0 "[ . 1 . 2]" 1
266 1 37 LYS HB3 1 38 THR MG 4.500 2.800 6.000 3.859 2.905 4.970 . 0 0 "[ . 1 . 2]" 1
267 1 37 LYS HB2 1 38 THR MG 4.500 2.800 6.000 3.936 3.159 5.007 . 0 0 "[ . 1 . 2]" 1
268 1 37 LYS HB3 1 38 THR H 4.500 2.800 6.000 3.867 2.868 4.540 . 0 0 "[ . 1 . 2]" 1
269 1 37 LYS HB2 1 38 THR H 4.500 2.800 6.000 3.783 2.990 4.440 . 0 0 "[ . 1 . 2]" 1
270 1 38 THR HA 1 38 THR HB 3.000 . 4.000 2.542 2.422 2.666 . 0 0 "[ . 1 . 2]" 1
271 1 38 THR HA 1 38 THR MG 3.000 . 4.000 2.290 2.095 2.483 . 0 0 "[ . 1 . 2]" 1
272 1 38 THR HA 1 39 VAL H 3.000 . 4.000 2.208 2.170 2.374 . 0 0 "[ . 1 . 2]" 1
273 1 38 THR HB 1 39 VAL H . . 3.000 2.997 2.597 3.047 0.047 7 0 "[ . 1 . 2]" 1
274 1 38 THR H 1 38 THR MG 4.000 2.800 5.500 2.999 2.782 3.538 0.018 10 0 "[ . 1 . 2]" 1
275 1 9 LEU MD1 1 39 VAL HA 4.000 . 5.500 5.140 4.853 5.524 0.024 14 0 "[ . 1 . 2]" 1
276 1 12 ALA HA 1 39 VAL HA 4.500 2.800 6.000 5.623 5.518 5.872 . 0 0 "[ . 1 . 2]" 1
277 1 39 VAL HA 1 39 VAL MG1 3.000 . 4.000 2.305 2.216 2.397 . 0 0 "[ . 1 . 2]" 1
278 1 39 VAL HA 1 41 GLY HA3 4.500 2.800 6.000 5.390 5.244 5.609 . 0 0 "[ . 1 . 2]" 1
279 1 39 VAL HA 1 42 VAL H 4.500 2.800 6.000 3.247 3.107 3.461 . 0 0 "[ . 1 . 2]" 1
280 1 39 VAL H 1 39 VAL HB 3.000 . 4.000 3.620 3.607 3.666 . 0 0 "[ . 1 . 2]" 1
281 1 40 GLU H 1 40 GLU HA 3.000 . 4.000 2.773 2.748 2.815 . 0 0 "[ . 1 . 2]" 1
282 1 40 GLU HA 1 43 TRP HB2 4.500 2.800 6.000 2.840 2.800 2.906 0.000 17 0 "[ . 1 . 2]" 1
283 1 40 GLU HA 1 43 TRP HD1 4.500 2.800 6.000 3.930 3.465 4.424 . 0 0 "[ . 1 . 2]" 1
284 1 40 GLU HA 1 44 THR H 4.500 2.800 6.000 3.940 3.715 4.075 . 0 0 "[ . 1 . 2]" 1
285 1 40 GLU H 1 40 GLU QB 3.000 . 3.000 2.576 2.325 2.878 . 0 0 "[ . 1 . 2]" 1
286 1 40 GLU QB 1 41 GLY H . 2.800 4.000 2.994 2.847 3.623 . 0 0 "[ . 1 . 2]" 1
287 1 39 VAL MG1 1 40 GLU QG 4.000 . 5.500 4.761 4.518 4.985 . 0 0 "[ . 1 . 2]" 1
288 1 40 GLU QG 1 43 TRP HD1 4.500 2.800 6.000 5.238 4.840 6.011 0.011 16 0 "[ . 1 . 2]" 1
289 1 12 ALA MB 1 41 GLY HA3 4.500 2.800 6.000 6.017 5.963 6.044 0.044 19 0 "[ . 1 . 2]" 1
290 1 33 ILE MD 1 41 GLY HA3 5.500 3.800 7.000 7.011 6.923 7.114 0.114 17 0 "[ . 1 . 2]" 1
291 1 36 ALA HA 1 41 GLY HA3 4.000 . 5.500 5.556 5.532 5.581 0.081 5 0 "[ . 1 . 2]" 1
292 1 40 GLU QB 1 41 GLY HA3 4.500 2.800 6.000 4.477 4.348 5.028 . 0 0 "[ . 1 . 2]" 1
293 1 40 GLU H 1 41 GLY HA3 4.500 2.800 6.000 5.043 4.941 5.105 . 0 0 "[ . 1 . 2]" 1
294 1 41 GLY H 1 41 GLY HA3 . . 3.000 2.312 2.308 2.319 . 0 0 "[ . 1 . 2]" 1
295 1 41 GLY HA3 1 42 VAL H 4.000 . 5.500 2.820 2.763 2.900 . 0 0 "[ . 1 . 2]" 1
296 1 41 GLY H 1 42 VAL HA 4.000 . 5.500 5.122 5.063 5.179 . 0 0 "[ . 1 . 2]" 1
297 1 42 VAL HA 1 42 VAL MG2 2.500 . 3.000 2.249 2.216 2.301 . 0 0 "[ . 1 . 2]" 1
298 1 43 TRP HA 1 43 TRP HB3 4.500 2.800 5.000 2.614 2.600 2.635 0.200 13 0 "[ . 1 . 2]" 1
299 1 40 GLU HA 1 43 TRP HB3 4.500 2.800 6.000 4.389 4.218 4.440 . 0 0 "[ . 1 . 2]" 1
300 1 40 GLU QB 1 43 TRP HB3 4.500 2.800 6.000 5.972 5.760 6.030 0.030 5 0 "[ . 1 . 2]" 1
301 1 40 GLU QB 1 43 TRP HB2 4.500 2.800 6.000 4.714 4.558 4.867 . 0 0 "[ . 1 . 2]" 1
302 1 43 TRP HB3 1 43 TRP HD1 4.000 . 4.000 3.850 3.839 3.857 . 0 0 "[ . 1 . 2]" 1
303 1 43 TRP HB2 1 43 TRP HD1 4.500 2.800 6.000 2.719 2.700 2.731 0.100 16 0 "[ . 1 . 2]" 1
304 1 43 TRP HB3 1 43 TRP HE3 4.000 . 5.500 2.546 2.527 2.574 . 0 0 "[ . 1 . 2]" 1
305 1 43 TRP HB2 1 43 TRP HE3 4.000 . 5.500 4.096 4.081 4.118 . 0 0 "[ . 1 . 2]" 1
306 1 43 TRP H 1 43 TRP HB3 4.000 . 5.500 3.569 3.548 3.578 . 0 0 "[ . 1 . 2]" 1
307 1 43 TRP H 1 43 TRP HB2 4.000 . 5.500 2.311 2.270 2.341 . 0 0 "[ . 1 . 2]" 1
308 1 43 TRP HB3 1 44 THR H 4.000 . 4.000 3.685 3.536 3.834 . 0 0 "[ . 1 . 2]" 1
309 1 43 TRP HB2 1 44 THR H 4.500 2.800 6.000 2.958 2.828 3.123 . 0 0 "[ . 1 . 2]" 1
310 1 43 TRP H 1 44 THR HA 4.500 2.800 6.000 5.243 5.205 5.300 . 0 0 "[ . 1 . 2]" 1
311 1 44 THR HA 1 44 THR HB 2.500 . 3.000 2.567 2.425 2.678 . 0 0 "[ . 1 . 2]" 1
312 1 44 THR HA 1 44 THR MG 3.000 . 4.000 2.486 2.198 3.229 . 0 0 "[ . 1 . 2]" 1
313 1 44 THR HA 1 45 LEU H 4.500 2.800 6.000 3.559 3.519 3.568 . 0 0 "[ . 1 . 2]" 1
314 1 44 THR HA 1 47 ASP QB 4.500 2.800 6.000 2.921 2.782 3.308 0.018 19 0 "[ . 1 . 2]" 1
315 1 44 THR HB 1 47 ASP H 4.000 . 5.500 5.262 5.030 5.553 0.053 10 0 "[ . 1 . 2]" 1
316 1 42 VAL H 1 44 THR MG 4.500 2.800 6.000 4.935 3.729 5.529 . 0 0 "[ . 1 . 2]" 1
317 1 44 THR H 1 44 THR MG 4.000 . 4.000 2.531 1.901 2.806 . 0 0 "[ . 1 . 2]" 1
318 1 45 LEU HA 1 45 LEU QB 2.500 . 3.000 2.521 2.459 2.541 . 0 0 "[ . 1 . 2]" 1
319 1 45 LEU HA 1 45 LEU MD1 2.500 . 3.000 2.433 1.928 3.006 0.006 1 0 "[ . 1 . 2]" 1
320 1 45 LEU H 1 45 LEU HA 3.000 . 3.000 2.796 2.768 2.863 . 0 0 "[ . 1 . 2]" 1
321 1 45 LEU HA 1 46 LYS H 4.500 2.800 6.000 3.509 3.484 3.555 . 0 0 "[ . 1 . 2]" 1
322 1 45 LEU QB 1 45 LEU MD1 3.000 . 4.000 2.193 2.005 2.348 . 0 0 "[ . 1 . 2]" 1
323 1 45 LEU QB 1 46 LYS H 4.000 . 5.500 2.757 2.535 2.928 . 0 0 "[ . 1 . 2]" 1
324 1 46 LYS HA 1 47 ASP H 4.500 2.800 6.000 3.524 3.483 3.547 . 0 0 "[ . 1 . 2]" 1
325 1 46 LYS HA 1 49 ILE HB 4.000 . 5.500 3.233 2.904 4.066 . 0 0 "[ . 1 . 2]" 1
326 1 47 ASP H 1 47 ASP QB 3.000 . 4.000 2.240 2.057 2.556 . 0 0 "[ . 1 . 2]" 1
327 1 48 GLU H 1 48 GLU HA 3.000 . 4.000 2.837 2.803 2.874 . 0 0 "[ . 1 . 2]" 1
328 1 48 GLU H 1 48 GLU QB . . 3.000 2.202 2.043 2.512 . 0 0 "[ . 1 . 2]" 1
329 1 29 TYR HB2 1 49 ILE HB 4.500 2.800 6.000 5.683 4.071 6.053 0.053 18 0 "[ . 1 . 2]" 1
330 1 49 ILE HB 1 49 ILE MD 3.000 . 4.000 3.126 2.414 3.231 . 0 0 "[ . 1 . 2]" 1
331 1 49 ILE H 1 49 ILE HB 3.000 . 3.000 2.644 2.363 2.747 . 0 0 "[ . 1 . 2]" 1
332 1 49 ILE HB 1 50 LYS H 4.000 . 5.500 3.002 2.537 4.143 . 0 0 "[ . 1 . 2]" 1
333 1 50 LYS HA 1 50 LYS QB 2.500 . 3.000 2.430 2.178 2.539 . 0 0 "[ . 1 . 2]" 1
334 1 50 LYS H 1 50 LYS HA 3.000 . 4.000 2.858 2.793 2.902 . 0 0 "[ . 1 . 2]" 1
335 1 50 LYS QB 1 50 LYS QE 4.500 2.800 6.000 3.401 3.030 3.689 . 0 0 "[ . 1 . 2]" 1
336 1 50 LYS H 1 50 LYS QB 3.000 . 3.000 2.231 2.076 2.639 . 0 0 "[ . 1 . 2]" 1
337 1 51 THR HA 1 51 THR HB . 2.800 4.000 2.950 2.740 2.995 0.060 20 0 "[ . 1 . 2]" 1
338 1 51 THR HA 1 51 THR MG 3.000 . 4.000 2.156 2.028 2.288 . 0 0 "[ . 1 . 2]" 1
339 1 51 THR HA 1 53 THR H 3.000 . 4.000 3.926 3.662 4.056 0.056 14 0 "[ . 1 . 2]" 1
340 1 52 PHE HA 1 52 PHE HB3 3.000 . 4.000 2.810 2.732 2.882 . 0 0 "[ . 1 . 2]" 1
341 1 52 PHE HA 1 52 PHE QD 3.000 . 4.000 2.985 2.442 3.523 . 0 0 "[ . 1 . 2]" 1
342 1 52 PHE HA 1 53 THR H 3.000 . 3.000 3.069 2.949 3.213 0.213 19 0 "[ . 1 . 2]" 1
343 1 52 PHE HB3 1 52 PHE QE 4.500 2.800 6.000 4.398 4.367 4.467 . 0 0 "[ . 1 . 2]" 1
344 1 52 PHE HB2 1 52 PHE QE 4.500 2.800 5.500 4.422 4.374 4.478 . 0 0 "[ . 1 . 2]" 1
345 1 52 PHE H 1 52 PHE HB3 4.000 . 4.000 3.460 2.223 4.046 0.046 8 0 "[ . 1 . 2]" 1
346 1 52 PHE H 1 52 PHE HB2 4.000 . 5.500 3.193 2.954 3.533 . 0 0 "[ . 1 . 2]" 1
347 1 52 PHE HB3 1 53 THR H . 2.800 4.000 4.085 4.026 4.140 0.140 10 0 "[ . 1 . 2]" 1
348 1 52 PHE HB2 1 53 THR H 4.500 2.800 6.000 4.301 4.054 4.610 . 0 0 "[ . 1 . 2]" 1
349 1 52 PHE H 1 53 THR HA 4.000 . 5.500 5.061 4.685 5.393 . 0 0 "[ . 1 . 2]" 1
350 1 53 THR HA 1 53 THR HB 4.000 2.800 5.500 2.902 2.621 3.025 0.179 18 0 "[ . 1 . 2]" 1
351 1 53 THR HA 1 53 THR MG 4.500 2.800 6.000 2.832 2.603 3.204 0.197 11 0 "[ . 1 . 2]" 1
352 1 53 THR H 1 53 THR HA 3.000 . 4.000 2.641 2.253 2.947 . 0 0 "[ . 1 . 2]" 1
353 1 52 PHE H 1 53 THR HB 4.000 . 5.500 4.853 4.230 5.447 . 0 0 "[ . 1 . 2]" 1
354 1 54 VAL H 1 54 VAL HA 2.500 . 3.000 2.803 2.278 2.948 . 0 0 "[ . 1 . 2]" 1
355 1 54 VAL H 1 54 VAL HB . 2.800 4.000 3.518 2.771 3.972 0.029 5 0 "[ . 1 . 2]" 1
356 1 54 VAL HA 1 54 VAL MG1 3.000 . 4.000 2.241 2.048 2.359 . 0 0 "[ . 1 . 2]" 1
357 1 54 VAL H 1 54 VAL MG1 3.000 . 4.000 3.253 2.289 4.008 0.008 14 0 "[ . 1 . 2]" 1
358 1 55 THR HA 1 55 THR HB 4.500 2.800 5.500 3.010 2.975 3.028 . 0 0 "[ . 1 . 2]" 1
359 1 55 THR H 1 55 THR HB 3.000 . 3.000 2.855 2.582 3.116 0.116 14 0 "[ . 1 . 2]" 1
360 1 17 ILE HA 1 30 PHE QD 4.500 2.800 6.000 3.211 2.923 3.492 . 0 0 "[ . 1 . 2]" 1
361 1 42 VAL MG2 1 43 TRP HD1 4.000 . 5.500 4.549 4.490 4.605 . 0 0 "[ . 1 . 2]" 1
362 1 25 THR HA 1 29 TYR QD 4.000 . 5.500 4.630 4.245 4.929 . 0 0 "[ . 1 . 2]" 1
363 1 25 THR MG 1 29 TYR QE 4.000 . 5.500 4.003 3.666 4.142 . 0 0 "[ . 1 . 2]" 1
364 1 29 TYR HA 1 29 TYR QD 4.000 . 5.500 2.282 2.104 2.422 . 0 0 "[ . 1 . 2]" 1
365 1 29 TYR QD 1 49 ILE MD 4.500 2.800 6.000 2.600 2.076 4.446 0.724 18 6 "[ **. -1 * +*2]" 1
366 1 15 GLU QB 1 43 TRP HD1 4.000 . 5.500 4.969 4.950 5.009 . 0 0 "[ . 1 . 2]" 1
367 1 15 GLU HG2 1 43 TRP HD1 4.500 2.800 6.000 5.907 4.921 6.031 0.031 13 0 "[ . 1 . 2]" 1
368 1 15 GLU QB 1 43 TRP HE3 4.500 2.800 6.000 4.204 4.158 4.265 . 0 0 "[ . 1 . 2]" 1
369 1 43 TRP HA 1 43 TRP HE3 4.000 . 5.500 3.417 3.322 3.471 . 0 0 "[ . 1 . 2]" 1
370 1 12 ALA HA 1 43 TRP HH2 4.500 2.800 6.000 5.273 5.202 5.398 . 0 0 "[ . 1 . 2]" 1
371 1 12 ALA MB 1 43 TRP HH2 5.500 3.800 7.000 5.848 5.825 5.869 . 0 0 "[ . 1 . 2]" 1
372 1 15 GLU HG3 1 43 TRP HZ2 4.500 2.800 6.000 3.253 3.137 4.013 . 0 0 "[ . 1 . 2]" 1
373 1 15 GLU HA 1 43 TRP HZ3 4.000 . 5.500 5.582 5.563 5.610 0.110 20 0 "[ . 1 . 2]" 1
374 1 15 GLU HG3 1 43 TRP HZ3 4.000 . 5.500 3.235 3.188 3.419 . 0 0 "[ . 1 . 2]" 1
375 1 15 GLU HG2 1 43 TRP HZ3 4.500 2.800 6.000 4.141 3.329 4.307 . 0 0 "[ . 1 . 2]" 1
376 1 52 PHE HA 1 52 PHE QE 4.500 2.800 6.000 4.676 4.241 5.454 . 0 0 "[ . 1 . 2]" 1
377 1 2 THR H 1 2 THR HB 3.000 . 4.000 3.293 2.592 3.869 . 0 0 "[ . 1 . 2]" 1
378 1 2 THR H 1 2 THR HG1 4.500 2.800 6.000 3.253 2.797 3.586 0.003 7 0 "[ . 1 . 2]" 1
379 1 3 TYR H 1 3 TYR HA 2.500 . 3.000 2.798 2.271 2.948 . 0 0 "[ . 1 . 2]" 1
380 1 4 LYS H 1 4 LYS QG 2.500 . 3.000 2.385 1.947 3.060 0.060 12 0 "[ . 1 . 2]" 1
381 1 5 LEU H 1 5 LEU HG 2.500 . 3.000 3.012 2.938 3.210 0.210 6 0 "[ . 1 . 2]" 1
382 1 6 ILE H 1 6 ILE QG 3.000 . 4.000 4.066 4.026 4.144 0.144 4 0 "[ . 1 . 2]" 1
383 1 6 ILE HA 1 7 LEU H 2.500 . 3.000 2.289 2.141 2.891 . 0 0 "[ . 1 . 2]" 1
384 1 7 LEU H 1 7 LEU MD1 3.000 . 4.000 3.498 2.014 3.996 . 0 0 "[ . 1 . 2]" 1
385 1 7 LEU H 1 7 LEU HG 2.500 . 3.000 2.508 1.994 3.032 0.032 5 0 "[ . 1 . 2]" 1
386 1 7 LEU HA 1 8 ASN H 2.500 . 3.000 2.422 2.136 2.965 . 0 0 "[ . 1 . 2]" 1
387 1 8 ASN HA 1 9 LEU H 2.500 . 3.000 2.457 2.146 3.105 0.105 9 0 "[ . 1 . 2]" 1
388 1 9 LEU H 1 9 LEU QB 3.000 . 4.000 2.709 2.257 2.879 . 0 0 "[ . 1 . 2]" 1
389 1 9 LEU H 1 9 LEU MD1 4.500 2.800 6.000 3.624 2.799 3.893 0.001 5 0 "[ . 1 . 2]" 1
390 1 9 LEU H 1 9 LEU HG 2.500 . 3.000 2.290 1.806 3.011 0.011 5 0 "[ . 1 . 2]" 1
391 1 9 LEU H 1 10 LYS H 4.000 . 5.500 2.454 2.295 2.881 . 0 0 "[ . 1 . 2]" 1
392 1 9 LEU H 1 11 GLN H 4.500 2.800 6.000 4.646 4.396 4.948 . 0 0 "[ . 1 . 2]" 1
393 1 9 LEU H 1 39 VAL MG1 3.000 . 4.000 3.891 3.425 4.051 0.051 9 0 "[ . 1 . 2]" 1
394 1 10 LYS H 1 10 LYS QD 2.500 . 3.000 2.549 1.985 3.031 0.031 12 0 "[ . 1 . 2]" 1
395 1 11 GLN QB 1 12 ALA H 3.000 . 4.000 3.268 2.473 3.444 . 0 0 "[ . 1 . 2]" 1
396 1 11 GLN H 1 12 ALA H 4.500 2.800 6.000 2.823 2.752 2.916 0.048 5 0 "[ . 1 . 2]" 1
397 1 13 LYS H 1 13 LYS QD 2.500 . 3.000 3.132 3.104 3.189 0.189 19 0 "[ . 1 . 2]" 1
398 1 13 LYS H 1 14 GLU H 3.000 . 4.000 2.615 2.583 2.676 . 0 0 "[ . 1 . 2]" 1
399 1 13 LYS H 1 33 ILE MD 3.000 . 4.000 3.895 3.855 4.018 0.018 13 0 "[ . 1 . 2]" 1
400 1 14 GLU H 1 15 GLU H 3.000 . 4.000 2.358 2.332 2.379 . 0 0 "[ . 1 . 2]" 1
401 1 15 GLU H 1 15 GLU HA 2.500 . 3.000 2.765 2.759 2.772 . 0 0 "[ . 1 . 2]" 1
402 1 15 GLU H 1 16 ALA MB 4.500 2.800 6.000 4.529 4.495 4.555 . 0 0 "[ . 1 . 2]" 1
403 1 15 GLU QB 1 16 ALA H 3.000 . 4.000 2.520 2.503 2.532 . 0 0 "[ . 1 . 2]" 1
404 1 16 ALA H 1 33 ILE MD 3.000 . 4.000 2.852 2.762 2.914 . 0 0 "[ . 1 . 2]" 1
405 1 17 ILE H 1 17 ILE MD 4.000 . 5.500 3.705 3.150 3.828 . 0 0 "[ . 1 . 2]" 1
406 1 17 ILE H 1 17 ILE MG 3.000 . 4.000 3.696 3.644 3.743 . 0 0 "[ . 1 . 2]" 1
407 1 17 ILE H 1 18 LYS H 3.000 . 4.000 2.813 2.763 2.858 . 0 0 "[ . 1 . 2]" 1
408 1 17 ILE MG 1 18 LYS H 4.500 2.800 6.000 2.861 2.778 3.082 0.022 2 0 "[ . 1 . 2]" 1
409 1 18 LYS H 1 20 LEU H 3.000 . 4.000 3.990 3.928 4.016 0.016 9 0 "[ . 1 . 2]" 1
410 1 18 LYS H 1 19 GLU H 4.500 2.800 6.000 2.713 2.664 2.751 0.136 17 0 "[ . 1 . 2]" 1
411 1 19 GLU H 1 19 GLU HA 2.500 . 3.000 2.834 2.803 2.854 . 0 0 "[ . 1 . 2]" 1
412 1 19 GLU HB2 1 20 LEU H 2.500 . 3.000 2.714 2.589 2.773 . 0 0 "[ . 1 . 2]" 1
413 1 20 LEU H 1 20 LEU MD1 3.000 . 4.000 2.514 2.409 2.688 . 0 0 "[ . 1 . 2]" 1
414 1 20 LEU H 1 21 VAL H 4.000 . 5.500 2.668 2.505 2.762 . 0 0 "[ . 1 . 2]" 1
415 1 21 VAL H 1 21 VAL HB 4.000 . 5.500 2.758 2.500 3.563 . 0 0 "[ . 1 . 2]" 1
416 1 21 VAL H 1 22 ASP H 4.000 . 4.000 2.503 2.325 2.579 . 0 0 "[ . 1 . 2]" 1
417 1 21 VAL H 1 23 ALA H 4.500 2.800 6.000 4.074 3.840 4.148 . 0 0 "[ . 1 . 2]" 1
418 1 23 ALA H 1 23 ALA HA 4.500 2.800 6.000 2.945 2.938 2.953 . 0 0 "[ . 1 . 2]" 1
419 1 23 ALA H 1 23 ALA MB 4.500 2.800 6.000 2.635 2.602 2.660 0.198 7 0 "[ . 1 . 2]" 1
420 1 23 ALA HA 1 24 GLY H 3.000 . 4.000 2.268 2.239 2.349 . 0 0 "[ . 1 . 2]" 1
421 1 20 LEU MD1 1 25 THR H 4.500 2.800 6.000 5.734 5.121 6.080 0.080 10 0 "[ . 1 . 2]" 1
422 1 25 THR H 1 25 THR MG 2.500 . 3.000 2.128 1.827 3.075 0.075 2 0 "[ . 1 . 2]" 1
423 1 25 THR H 1 26 ALA H 4.500 2.800 6.000 4.164 3.166 4.623 . 0 0 "[ . 1 . 2]" 1
424 1 25 THR H 1 52 PHE QE 4.500 2.800 6.000 5.176 4.300 5.505 . 0 0 "[ . 1 . 2]" 1
425 1 26 ALA H 1 27 GLU H 4.500 2.800 6.000 4.126 3.862 4.574 . 0 0 "[ . 1 . 2]" 1
426 1 26 ALA H 1 52 PHE QE 4.500 2.800 6.000 3.648 3.178 4.179 . 0 0 "[ . 1 . 2]" 1
427 1 20 LEU MD1 1 27 GLU H 4.500 2.800 6.000 6.094 6.013 6.195 0.195 6 0 "[ . 1 . 2]" 1
428 1 28 LYS H 1 28 LYS QB 4.500 2.800 6.000 2.748 2.706 2.947 0.094 6 0 "[ . 1 . 2]" 1
429 1 28 LYS H 1 28 LYS QD 2.500 . 3.000 2.502 2.198 2.869 . 0 0 "[ . 1 . 2]" 1
430 1 28 LYS H 1 29 TYR HB3 5.500 3.800 7.000 6.498 6.426 6.682 . 0 0 "[ . 1 . 2]" 1
431 1 28 LYS H 1 29 TYR H 3.000 . 4.000 2.880 2.813 3.073 . 0 0 "[ . 1 . 2]" 1
432 1 28 LYS QD 1 29 TYR H 4.000 . 5.500 4.586 4.487 4.821 . 0 0 "[ . 1 . 2]" 1
433 1 29 TYR H 1 29 TYR HB2 4.500 2.800 6.000 2.661 2.628 2.717 0.172 14 0 "[ . 1 . 2]" 1
434 1 29 TYR H 1 30 PHE H 2.500 . 3.000 2.826 2.584 2.998 . 0 0 "[ . 1 . 2]" 1
435 1 30 PHE H 1 30 PHE HA 3.000 . 4.000 2.813 2.789 2.846 . 0 0 "[ . 1 . 2]" 1
436 1 30 PHE H 1 30 PHE QB 2.500 . 3.000 2.510 2.441 2.602 . 0 0 "[ . 1 . 2]" 1
437 1 30 PHE H 1 30 PHE QD 4.000 . 5.500 3.069 2.930 3.156 . 0 0 "[ . 1 . 2]" 1
438 1 29 TYR HA 1 32 LEU H 4.500 2.800 6.000 3.284 3.148 3.442 . 0 0 "[ . 1 . 2]" 1
439 1 31 LYS H 1 32 LEU H 3.000 . 4.000 2.310 2.263 2.354 . 0 0 "[ . 1 . 2]" 1
440 1 32 LEU H 1 32 LEU MD1 4.500 2.800 6.000 3.727 2.962 4.057 . 0 0 "[ . 1 . 2]" 1
441 1 32 LEU H 1 32 LEU HG 3.000 . 4.000 3.671 3.355 3.971 . 0 0 "[ . 1 . 2]" 1
442 1 33 ILE H 1 33 ILE HA 3.000 . 4.000 2.863 2.828 2.896 . 0 0 "[ . 1 . 2]" 1
443 1 33 ILE H 1 33 ILE MD 4.000 . 5.500 3.617 3.578 3.637 . 0 0 "[ . 1 . 2]" 1
444 1 33 ILE H 1 33 ILE QG 2.500 . 3.000 1.885 1.840 1.912 . 0 0 "[ . 1 . 2]" 1
445 1 33 ILE MD 1 34 ALA H 4.500 2.800 6.000 2.720 2.679 2.747 0.121 17 0 "[ . 1 . 2]" 1
446 1 34 ALA H 1 35 ASN H 3.000 . 4.000 2.688 2.622 2.775 . 0 0 "[ . 1 . 2]" 1
447 1 33 ILE MD 1 35 ASN H 4.500 2.800 6.000 4.788 4.725 4.881 . 0 0 "[ . 1 . 2]" 1
448 1 34 ALA HA 1 35 ASN H 4.500 2.800 6.000 3.460 3.449 3.483 . 0 0 "[ . 1 . 2]" 1
449 1 33 ILE MD 1 36 ALA H 4.000 . 5.500 5.217 5.035 5.501 0.001 13 0 "[ . 1 . 2]" 1
450 1 34 ALA H 1 36 ALA H 4.500 2.800 6.000 4.105 4.048 4.179 . 0 0 "[ . 1 . 2]" 1
451 1 35 ASN HA 1 36 ALA H 4.500 2.800 6.000 3.438 3.278 3.482 . 0 0 "[ . 1 . 2]" 1
452 1 35 ASN HB3 1 36 ALA H 4.500 2.800 6.000 3.293 2.986 4.368 . 0 0 "[ . 1 . 2]" 1
453 1 35 ASN HB2 1 36 ALA H 4.500 2.800 6.000 4.231 4.081 4.398 . 0 0 "[ . 1 . 2]" 1
454 1 36 ALA H 1 37 LYS H 4.500 2.800 6.000 4.285 2.740 4.641 0.060 14 0 "[ . 1 . 2]" 1
455 1 37 LYS H 1 37 LYS QG 4.000 . 5.500 3.004 1.895 3.926 . 0 0 "[ . 1 . 2]" 1
456 1 37 LYS H 1 38 THR H 3.000 . 4.000 2.479 2.088 2.671 . 0 0 "[ . 1 . 2]" 1
457 1 9 LEU QB 1 38 THR H 4.000 . 5.500 4.690 3.456 5.413 . 0 0 "[ . 1 . 2]" 1
458 1 38 THR H 1 38 THR HB 4.500 2.800 6.000 3.695 3.505 3.926 . 0 0 "[ . 1 . 2]" 1
459 1 38 THR H 1 41 GLY HA3 4.500 2.800 6.000 4.710 4.185 4.989 . 0 0 "[ . 1 . 2]" 1
460 1 38 THR H 1 41 GLY H 4.500 2.800 6.000 4.570 4.125 4.832 . 0 0 "[ . 1 . 2]" 1
461 1 9 LEU HA 1 39 VAL H 4.500 2.800 6.000 4.707 4.259 5.225 . 0 0 "[ . 1 . 2]" 1
462 1 9 LEU MD1 1 39 VAL H 4.500 2.800 6.000 5.832 4.521 6.063 0.063 7 0 "[ . 1 . 2]" 1
463 1 38 THR MG 1 39 VAL H 4.000 . 5.500 3.746 3.356 4.005 . 0 0 "[ . 1 . 2]" 1
464 1 38 THR H 1 39 VAL H 4.500 2.800 6.000 4.447 4.229 4.553 . 0 0 "[ . 1 . 2]" 1
465 1 39 VAL H 1 39 VAL MG1 2.500 . 3.000 2.344 2.243 2.429 . 0 0 "[ . 1 . 2]" 1
466 1 38 THR HB 1 40 GLU H 4.000 . 5.500 2.973 2.778 3.262 . 0 0 "[ . 1 . 2]" 1
467 1 38 THR MG 1 40 GLU H 4.500 2.800 6.000 4.389 4.076 4.646 . 0 0 "[ . 1 . 2]" 1
468 1 39 VAL MG1 1 40 GLU H 4.000 . 5.500 3.921 3.849 4.008 . 0 0 "[ . 1 . 2]" 1
469 1 40 GLU H 1 40 GLU QG 4.000 . 5.500 2.082 1.847 2.473 . 0 0 "[ . 1 . 2]" 1
470 1 40 GLU H 1 41 GLY H 3.000 . 4.000 2.739 2.638 2.795 . 0 0 "[ . 1 . 2]" 1
471 1 40 GLU H 1 42 VAL H 4.500 2.800 6.000 4.355 4.244 4.485 . 0 0 "[ . 1 . 2]" 1
472 1 40 GLU QG 1 41 GLY H 4.500 2.800 6.000 3.923 2.656 4.393 0.144 10 0 "[ . 1 . 2]" 1
473 1 41 GLY H 1 42 VAL MG2 4.500 2.800 6.000 4.112 4.009 4.251 . 0 0 "[ . 1 . 2]" 1
474 1 41 GLY H 1 42 VAL H 3.000 . 3.000 2.464 2.399 2.528 . 0 0 "[ . 1 . 2]" 1
475 1 33 ILE MD 1 42 VAL H 4.500 2.800 6.000 5.369 5.294 5.536 . 0 0 "[ . 1 . 2]" 1
476 1 36 ALA MB 1 42 VAL H 4.000 . 5.500 3.464 3.333 3.586 . 0 0 "[ . 1 . 2]" 1
477 1 42 VAL H 1 42 VAL HA 3.000 . 4.000 2.858 2.839 2.881 . 0 0 "[ . 1 . 2]" 1
478 1 42 VAL H 1 42 VAL HB 2.500 . 3.000 2.436 2.423 2.476 . 0 0 "[ . 1 . 2]" 1
479 1 42 VAL H 1 42 VAL MG2 2.500 . 3.000 2.440 2.378 2.494 . 0 0 "[ . 1 . 2]" 1
480 1 42 VAL H 1 43 TRP HD1 4.500 2.800 6.000 4.130 4.000 4.329 . 0 0 "[ . 1 . 2]" 1
481 1 41 GLY H 1 43 TRP H 3.000 . 4.000 4.066 4.029 4.091 0.091 13 0 "[ . 1 . 2]" 1
482 1 43 TRP H 1 43 TRP HA 3.000 . 4.000 2.817 2.805 2.835 . 0 0 "[ . 1 . 2]" 1
483 1 40 GLU QB 1 44 THR H 4.500 2.800 6.000 4.848 4.765 4.939 . 0 0 "[ . 1 . 2]" 1
484 1 42 VAL H 1 44 THR H 3.000 . 4.000 3.876 3.773 4.005 0.005 14 0 "[ . 1 . 2]" 1
485 1 44 THR H 1 44 THR HB 4.500 2.800 6.000 3.385 2.676 3.579 0.124 5 0 "[ . 1 . 2]" 1
486 1 44 THR H 1 45 LEU MD1 4.500 2.800 6.000 5.346 4.136 6.337 0.337 20 0 "[ . 1 . 2]" 1
487 1 41 GLY HA3 1 45 LEU H 4.500 2.800 6.000 5.112 5.012 5.220 . 0 0 "[ . 1 . 2]" 1
488 1 44 THR H 1 45 LEU H 4.000 . 5.500 2.640 2.462 2.794 . 0 0 "[ . 1 . 2]" 1
489 1 45 LEU H 1 45 LEU MD1 4.000 . 5.500 3.290 2.259 4.096 . 0 0 "[ . 1 . 2]" 1
490 1 43 TRP HA 1 46 LYS H 4.500 2.800 6.000 3.501 3.226 3.686 . 0 0 "[ . 1 . 2]" 1
491 1 46 LYS H 1 46 LYS QB 3.000 . 4.000 2.272 2.230 2.495 . 0 0 "[ . 1 . 2]" 1
492 1 46 LYS H 1 46 LYS QG 3.000 . 4.000 3.631 2.181 4.020 0.020 9 0 "[ . 1 . 2]" 1
493 1 46 LYS H 1 47 ASP H 3.000 . 4.000 2.642 2.492 2.769 . 0 0 "[ . 1 . 2]" 1
494 1 46 LYS H 1 48 GLU H 3.000 . 4.000 4.017 3.923 4.065 0.065 12 0 "[ . 1 . 2]" 1
495 1 47 ASP H 1 47 ASP HA 4.500 2.800 6.000 2.809 2.781 2.870 0.019 7 0 "[ . 1 . 2]" 1
496 1 47 ASP H 1 48 GLU QB 4.000 . 5.500 4.395 4.084 4.789 . 0 0 "[ . 1 . 2]" 1
497 1 44 THR HA 1 48 GLU H 4.000 . 5.500 4.757 4.435 4.902 . 0 0 "[ . 1 . 2]" 1
498 1 46 LYS QG 1 48 GLU H 4.500 2.800 6.000 4.964 4.316 5.405 . 0 0 "[ . 1 . 2]" 1
499 1 47 ASP QB 1 48 GLU H 4.000 . 5.500 2.725 2.610 2.806 . 0 0 "[ . 1 . 2]" 1
500 1 48 GLU H 1 49 ILE H 3.000 . 4.000 2.552 2.411 2.747 . 0 0 "[ . 1 . 2]" 1
501 1 45 LEU HA 1 49 ILE H 4.500 2.800 6.000 4.683 4.251 4.839 . 0 0 "[ . 1 . 2]" 1
502 1 47 ASP QB 1 49 ILE H 4.500 2.800 6.000 4.665 4.473 5.089 . 0 0 "[ . 1 . 2]" 1
503 1 48 GLU QB 1 49 ILE H 4.000 . 5.500 2.766 2.351 3.018 . 0 0 "[ . 1 . 2]" 1
504 1 49 ILE H 1 49 ILE HA 4.500 2.800 6.000 2.844 2.785 2.880 0.015 13 0 "[ . 1 . 2]" 1
505 1 49 ILE H 1 49 ILE MD 3.000 . 4.000 3.034 2.001 4.096 0.096 13 0 "[ . 1 . 2]" 1
506 1 49 ILE H 1 50 LYS H 3.000 . 4.000 2.530 2.388 2.690 . 0 0 "[ . 1 . 2]" 1
507 1 50 LYS QB 1 51 THR H 4.500 2.800 6.000 2.852 2.763 3.409 0.037 11 0 "[ . 1 . 2]" 1
508 1 51 THR H 1 51 THR HA 3.000 . 4.000 2.917 2.879 2.937 . 0 0 "[ . 1 . 2]" 1
509 1 51 THR H 1 51 THR HB 4.500 2.800 6.000 2.943 2.785 3.417 0.015 3 0 "[ . 1 . 2]" 1
510 1 51 THR H 1 51 THR MG 4.500 2.800 6.000 3.711 3.138 3.815 . 0 0 "[ . 1 . 2]" 1
511 1 50 LYS HA 1 52 PHE H 4.500 2.800 6.000 4.939 4.472 5.257 . 0 0 "[ . 1 . 2]" 1
512 1 51 THR HA 1 52 PHE H 3.000 . 4.000 3.543 3.517 3.557 . 0 0 "[ . 1 . 2]" 1
513 1 52 PHE H 1 52 PHE QD 4.500 2.800 6.000 3.185 2.766 3.988 0.034 18 0 "[ . 1 . 2]" 1
514 1 52 PHE H 1 53 THR H 3.000 . 4.000 2.675 2.499 2.863 . 0 0 "[ . 1 . 2]" 1
515 1 53 THR H 1 53 THR HB 3.000 . 4.000 2.694 2.166 3.422 . 0 0 "[ . 1 . 2]" 1
516 1 53 THR H 1 53 THR MG 3.000 . 4.000 3.635 2.464 4.109 0.109 6 0 "[ . 1 . 2]" 1
517 1 54 VAL HB 1 55 THR H 2.500 . 3.000 2.395 1.902 3.020 0.020 6 0 "[ . 1 . 2]" 1
518 1 55 THR H 1 55 THR HA 3.000 . 4.000 2.884 2.293 2.949 . 0 0 "[ . 1 . 2]" 1
519 1 55 THR H 1 55 THR MG 4.000 . 5.500 3.913 3.663 4.042 . 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 5
_Distance_constraint_stats_list.Viol_count 54
_Distance_constraint_stats_list.Viol_total 39.447
_Distance_constraint_stats_list.Viol_max 0.100
_Distance_constraint_stats_list.Viol_rms 0.0250
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0197
_Distance_constraint_stats_list.Viol_average_violations_only 0.0365
_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 17 ILE 1.265 0.090 5 0 "[ . 1 . 2]"
1 20 LEU 0.707 0.100 2 0 "[ . 1 . 2]"
1 21 VAL 0.773 0.090 5 0 "[ . 1 . 2]"
1 30 PHE 1.199 0.100 2 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 17 ILE HA 1 21 VAL MG1 4.500 2.800 6.000 5.934 4.874 6.090 0.090 5 0 "[ . 1 . 2]" 2
2 1 20 LEU MD1 1 30 PHE QB 2.500 . 3.000 3.031 2.912 3.100 0.100 2 0 "[ . 1 . 2]" 2
3 1 17 ILE HA 1 30 PHE QB 3.000 . 4.000 2.661 2.502 2.853 . 0 0 "[ . 1 . 2]" 2
4 1 17 ILE HB 1 30 PHE QB 3.000 . 4.000 4.019 3.882 4.044 0.044 19 0 "[ . 1 . 2]" 2
5 1 17 ILE MD 1 30 PHE QB 3.000 . 4.000 2.871 2.087 3.190 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 267
_Distance_constraint_stats_list.Viol_total 204.401
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0233
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0102
_Distance_constraint_stats_list.Viol_average_violations_only 0.0383
_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 9 LEU 0.038 0.031 18 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 1.027 0.079 13 0 "[ . 1 . 2]"
1 12 ALA 0.177 0.026 14 0 "[ . 1 . 2]"
1 13 LYS 0.585 0.073 5 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLU 2.666 0.150 13 0 "[ . 1 . 2]"
1 16 ALA 0.177 0.026 14 0 "[ . 1 . 2]"
1 17 ILE 0.558 0.073 5 0 "[ . 1 . 2]"
1 18 LYS 0.206 0.065 2 0 "[ . 1 . 2]"
1 19 GLU 2.171 0.150 13 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 VAL 0.010 0.010 17 0 "[ . 1 . 2]"
1 22 ASP 0.206 0.065 2 0 "[ . 1 . 2]"
1 23 ALA 0.532 0.084 2 0 "[ . 1 . 2]"
1 27 GLU 1.619 0.150 3 0 "[ . 1 . 2]"
1 28 LYS 0.012 0.010 10 0 "[ . 1 . 2]"
1 29 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 PHE 0.137 0.033 16 0 "[ . 1 . 2]"
1 31 LYS 1.619 0.150 3 0 "[ . 1 . 2]"
1 32 LEU 0.012 0.010 10 0 "[ . 1 . 2]"
1 33 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 ALA 0.137 0.033 16 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.554 0.059 16 0 "[ . 1 . 2]"
1 41 GLY 0.659 0.077 5 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 TRP 0.443 0.064 17 0 "[ . 1 . 2]"
1 44 THR 2.074 0.120 16 0 "[ . 1 . 2]"
1 45 LEU 0.946 0.077 5 0 "[ . 1 . 2]"
1 46 LYS 0.334 0.054 3 0 "[ . 1 . 2]"
1 47 ASP 0.922 0.081 12 0 "[ . 1 . 2]"
1 48 GLU 1.520 0.120 16 0 "[ . 1 . 2]"
1 49 ILE 0.287 0.050 1 0 "[ . 1 . 2]"
1 50 LYS 0.334 0.054 3 0 "[ . 1 . 2]"
1 51 THR 0.479 0.081 12 0 "[ . 1 . 2]"
1 52 PHE 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 9 LEU O 1 13 LYS H 1.800 . 2.500 2.049 1.730 2.355 . 0 0 "[ . 1 . 2]" 3
2 1 9 LEU O 1 13 LYS N 2.800 2.300 3.200 2.920 2.571 3.231 0.031 18 0 "[ . 1 . 2]" 3
3 1 10 LYS O 1 14 GLU H 1.800 . 2.500 2.002 1.791 2.230 . 0 0 "[ . 1 . 2]" 3
4 1 10 LYS O 1 14 GLU N 2.800 2.300 3.200 2.904 2.728 3.060 . 0 0 "[ . 1 . 2]" 3
5 1 11 GLN O 1 15 GLU H 1.800 . 2.500 2.465 2.353 2.506 0.006 15 0 "[ . 1 . 2]" 3
6 1 11 GLN O 1 15 GLU N 2.800 2.300 3.200 3.251 3.211 3.279 0.079 13 0 "[ . 1 . 2]" 3
7 1 12 ALA O 1 16 ALA H 1.800 . 2.500 2.272 2.225 2.296 . 0 0 "[ . 1 . 2]" 3
8 1 12 ALA O 1 16 ALA N 2.800 2.300 3.200 3.202 3.155 3.226 0.026 14 0 "[ . 1 . 2]" 3
9 1 13 LYS O 1 17 ILE H 1.800 . 2.500 2.286 2.117 2.345 . 0 0 "[ . 1 . 2]" 3
10 1 13 LYS O 1 17 ILE N 2.800 2.300 3.200 3.212 3.016 3.273 0.073 5 0 "[ . 1 . 2]" 3
11 1 14 GLU O 1 18 LYS H 1.800 . 2.500 1.738 1.644 1.829 . 0 0 "[ . 1 . 2]" 3
12 1 14 GLU O 1 18 LYS N 2.800 2.300 3.200 2.703 2.600 2.789 . 0 0 "[ . 1 . 2]" 3
13 1 15 GLU O 1 19 GLU H 1.800 . 2.500 2.356 2.292 2.414 . 0 0 "[ . 1 . 2]" 3
14 1 15 GLU O 1 19 GLU N 2.800 2.300 3.200 3.282 3.245 3.350 0.150 13 0 "[ . 1 . 2]" 3
15 1 16 ALA O 1 20 LEU H 1.800 . 2.500 1.660 1.621 1.720 . 0 0 "[ . 1 . 2]" 3
16 1 16 ALA O 1 20 LEU N 2.800 2.300 3.200 2.558 2.514 2.597 . 0 0 "[ . 1 . 2]" 3
17 1 17 ILE O 1 21 VAL H 1.800 . 2.500 2.074 1.979 2.435 . 0 0 "[ . 1 . 2]" 3
18 1 17 ILE O 1 21 VAL N 2.800 2.300 3.200 2.988 2.739 3.210 0.010 17 0 "[ . 1 . 2]" 3
19 1 18 LYS O 1 22 ASP H 1.800 . 2.500 2.343 2.127 2.431 . 0 0 "[ . 1 . 2]" 3
20 1 18 LYS O 1 22 ASP N 2.800 2.300 3.200 3.178 2.976 3.265 0.065 2 0 "[ . 1 . 2]" 3
21 1 19 GLU O 1 23 ALA H 1.800 . 2.500 2.491 2.423 2.521 0.021 2 0 "[ . 1 . 2]" 3
22 1 19 GLU O 1 23 ALA N 2.800 2.300 3.200 3.221 3.143 3.284 0.084 2 0 "[ . 1 . 2]" 3
23 1 27 GLU O 1 31 LYS H 1.800 . 2.500 2.390 2.328 2.474 . 0 0 "[ . 1 . 2]" 3
24 1 27 GLU O 1 31 LYS N 2.800 2.300 3.200 3.281 3.229 3.350 0.150 3 0 "[ . 1 . 2]" 3
25 1 28 LYS O 1 32 LEU H 1.800 . 2.500 2.125 1.691 2.502 0.002 18 0 "[ . 1 . 2]" 3
26 1 28 LYS O 1 32 LEU N 2.800 2.300 3.200 2.890 2.537 3.210 0.010 10 0 "[ . 1 . 2]" 3
27 1 29 TYR O 1 33 ILE H 1.800 . 2.500 1.930 1.815 2.084 . 0 0 "[ . 1 . 2]" 3
28 1 29 TYR O 1 33 ILE N 2.800 2.300 3.200 2.848 2.734 2.947 . 0 0 "[ . 1 . 2]" 3
29 1 30 PHE O 1 34 ALA H 1.800 . 2.500 2.270 2.177 2.320 . 0 0 "[ . 1 . 2]" 3
30 1 30 PHE O 1 34 ALA N 2.800 2.300 3.200 3.175 3.082 3.233 0.033 16 0 "[ . 1 . 2]" 3
31 1 39 VAL O 1 43 TRP H 1.800 . 2.500 1.880 1.803 2.109 . 0 0 "[ . 1 . 2]" 3
32 1 39 VAL O 1 43 TRP N 2.800 2.300 3.200 2.856 2.765 3.079 . 0 0 "[ . 1 . 2]" 3
33 1 40 GLU O 1 44 THR H 1.800 . 2.500 2.435 2.357 2.501 0.001 16 0 "[ . 1 . 2]" 3
34 1 40 GLU O 1 44 THR N 2.800 2.300 3.200 3.227 3.193 3.259 0.059 16 0 "[ . 1 . 2]" 3
35 1 41 GLY O 1 45 LEU H 1.800 . 2.500 2.286 2.239 2.372 . 0 0 "[ . 1 . 2]" 3
36 1 41 GLY O 1 45 LEU N 2.800 2.300 3.200 3.233 3.202 3.277 0.077 5 0 "[ . 1 . 2]" 3
37 1 42 VAL O 1 46 LYS H 1.800 . 2.500 2.041 1.865 2.206 . 0 0 "[ . 1 . 2]" 3
38 1 42 VAL O 1 46 LYS N 2.800 2.300 3.200 2.923 2.780 3.093 . 0 0 "[ . 1 . 2]" 3
39 1 43 TRP O 1 47 ASP H 1.800 . 2.500 2.366 2.061 2.482 . 0 0 "[ . 1 . 2]" 3
40 1 43 TRP O 1 47 ASP N 2.800 2.300 3.200 3.198 2.961 3.264 0.064 17 0 "[ . 1 . 2]" 3
41 1 44 THR O 1 48 GLU H 1.800 . 2.500 2.433 2.326 2.506 0.006 17 0 "[ . 1 . 2]" 3
42 1 44 THR O 1 48 GLU N 2.800 2.300 3.200 3.275 3.231 3.320 0.120 16 0 "[ . 1 . 2]" 3
43 1 45 LEU O 1 49 ILE H 1.800 . 2.500 2.386 2.050 2.515 0.015 4 0 "[ . 1 . 2]" 3
44 1 45 LEU O 1 49 ILE N 2.800 2.300 3.200 3.190 3.013 3.250 0.050 1 0 "[ . 1 . 2]" 3
45 1 46 LYS O 1 50 LYS H 1.800 . 2.500 2.328 1.886 2.474 . 0 0 "[ . 1 . 2]" 3
46 1 46 LYS O 1 50 LYS N 2.800 2.300 3.200 3.144 2.698 3.254 0.054 3 0 "[ . 1 . 2]" 3
47 1 47 ASP O 1 51 THR H 1.800 . 2.500 2.355 2.115 2.441 . 0 0 "[ . 1 . 2]" 3
48 1 47 ASP O 1 51 THR N 2.800 2.300 3.200 3.190 2.931 3.281 0.081 12 0 "[ . 1 . 2]" 3
49 1 48 GLU O 1 52 PHE H 1.800 . 2.500 1.759 1.625 2.064 . 0 0 "[ . 1 . 2]" 3
50 1 48 GLU O 1 52 PHE N 2.800 2.300 3.200 2.623 2.489 2.972 . 0 0 "[ . 1 . 2]" 3
stop_
save_
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