NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
578059 |
2mdf   |
19484 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mdf
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 546
_Distance_constraint_stats_list.Viol_count 1802
_Distance_constraint_stats_list.Viol_total 3681.597
_Distance_constraint_stats_list.Viol_max 1.052
_Distance_constraint_stats_list.Viol_rms 0.0442
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0817
_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 SER 0.005 0.005 9 0 "[ . 1 . 2 .]"
1 3 LYS 0.013 0.008 23 0 "[ . 1 . 2 .]"
1 4 LYS 2.193 0.441 19 0 "[ . 1 . 2 .]"
1 5 LYS 11.118 0.419 22 0 "[ . 1 . 2 .]"
1 6 ASP 11.776 0.534 5 3 "[ + 1 * . - 2 .]"
1 7 ASN 11.278 0.548 5 4 "[ + 1 -* . * 2 .]"
1 8 LEU 2.422 0.255 13 0 "[ . 1 . 2 .]"
1 9 LEU 8.972 0.486 16 0 "[ . 1 . 2 .]"
1 10 PHE 5.300 0.486 16 0 "[ . 1 . 2 .]"
1 11 GLY 1.512 0.098 18 0 "[ . 1 . 2 .]"
1 12 SER 5.893 0.113 8 0 "[ . 1 . 2 .]"
1 13 ILE 5.890 0.178 15 0 "[ . 1 . 2 .]"
1 14 ILE 7.347 0.248 9 0 "[ . 1 . 2 .]"
1 15 SER 5.943 0.443 15 0 "[ . 1 . 2 .]"
1 16 ALA 1.699 0.248 9 0 "[ . 1 . 2 .]"
1 17 VAL 9.345 0.443 15 0 "[ . 1 . 2 .]"
1 18 ASP 6.233 1.052 20 2 "[ . 1 . + - .]"
1 19 PRO 8.297 1.052 20 2 "[ . 1 . + - .]"
1 20 VAL 5.411 0.188 20 0 "[ . 1 . 2 .]"
1 21 ALA 7.836 0.303 15 0 "[ . 1 . 2 .]"
1 22 VAL 10.199 0.951 20 2 "[ . 1 . + - .]"
1 23 LEU 7.806 0.251 25 0 "[ . 1 . 2 .]"
1 24 ALA 8.208 0.196 18 0 "[ . 1 . 2 .]"
1 25 VAL 4.470 0.251 25 0 "[ . 1 . 2 .]"
1 26 PHE 1.896 0.183 15 0 "[ . 1 . 2 .]"
1 27 GLU 2.188 0.186 11 0 "[ . 1 . 2 .]"
1 28 GLU 0.494 0.091 14 0 "[ . 1 . 2 .]"
1 29 ILE 1.390 0.157 14 0 "[ . 1 . 2 .]"
1 31 ILE 2.861 0.338 17 0 "[ . 1 . 2 .]"
1 32 ASN 4.187 0.284 9 0 "[ . 1 . 2 .]"
1 33 GLU 1.647 0.338 17 0 "[ . 1 . 2 .]"
1 34 LEU 2.873 0.263 4 0 "[ . 1 . 2 .]"
1 35 LEU 7.038 0.510 18 1 "[ . 1 . + 2 .]"
1 36 HIS 1.862 0.298 18 0 "[ . 1 . 2 .]"
1 37 ILE 5.401 0.328 18 0 "[ . 1 . 2 .]"
1 38 LEU 9.137 0.204 22 0 "[ . 1 . 2 .]"
1 39 VAL 4.417 0.510 18 1 "[ . 1 . + 2 .]"
1 40 PHE 5.842 0.328 18 0 "[ . 1 . 2 .]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 GLU 1.379 0.090 11 0 "[ . 1 . 2 .]"
1 43 SER 2.226 0.130 2 0 "[ . 1 . 2 .]"
1 44 LEU 1.033 0.180 24 0 "[ . 1 . 2 .]"
1 45 LEU 4.116 0.180 24 0 "[ . 1 . 2 .]"
1 46 ASN 0.075 0.020 5 0 "[ . 1 . 2 .]"
1 47 ASP 2.003 0.130 2 0 "[ . 1 . 2 .]"
1 48 ALA 3.527 0.144 2 0 "[ . 1 . 2 .]"
1 49 VAL 0.372 0.103 15 0 "[ . 1 . 2 .]"
1 50 THR 0.906 0.207 17 0 "[ . 1 . 2 .]"
1 51 VAL 1.799 0.207 17 0 "[ . 1 . 2 .]"
1 52 VAL 4.639 0.155 2 0 "[ . 1 . 2 .]"
1 53 LEU 3.722 0.145 2 0 "[ . 1 . 2 .]"
1 54 TYR 3.056 0.274 5 0 "[ . 1 . 2 .]"
1 55 LYS 4.022 0.274 5 0 "[ . 1 . 2 .]"
1 56 LYS 10.635 0.529 2 2 "[ + . 1 . 2 -]"
1 57 LYS 3.228 0.354 3 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 VAL HA 1 17 VAL QG 2.490 . 3.180 2.275 2.079 2.534 . 0 0 "[ . 1 . 2 .]" 1
2 1 17 VAL HA 1 18 ASP QB 2.900 . 4.000 3.974 3.743 4.214 0.214 19 0 "[ . 1 . 2 .]" 1
3 1 51 VAL HA 1 51 VAL QG 2.450 . 3.100 2.123 2.039 2.265 . 0 0 "[ . 1 . 2 .]" 1
4 1 35 LEU HA 1 35 LEU QD 2.760 . 3.720 2.733 2.069 3.403 . 0 0 "[ . 1 . 2 .]" 1
5 1 42 GLU HA 1 45 LEU HG 3.140 . 4.480 2.491 2.314 3.655 . 0 0 "[ . 1 . 2 .]" 1
6 1 34 LEU HA 1 34 LEU QD 2.630 . 3.160 3.148 2.242 3.423 0.263 4 0 "[ . 1 . 2 .]" 1
7 1 20 VAL HB 1 21 ALA HA 2.950 . 4.100 4.062 3.965 4.113 0.013 15 0 "[ . 1 . 2 .]" 1
8 1 31 ILE HA 1 31 ILE MD 2.720 . 3.640 2.971 2.073 3.863 0.223 12 0 "[ . 1 . 2 .]" 1
9 1 24 ALA HA 1 27 GLU QB 2.450 . 3.100 3.036 2.474 3.286 0.186 11 0 "[ . 1 . 2 .]" 1
10 1 45 LEU HA 1 45 LEU HG 2.700 . 3.600 3.439 2.629 3.688 0.088 6 0 "[ . 1 . 2 .]" 1
11 1 37 ILE HA 1 37 ILE MG 2.630 . 3.460 3.116 2.289 3.194 . 0 0 "[ . 1 . 2 .]" 1
12 1 49 VAL HA 1 49 VAL QG 2.640 . 3.480 2.078 2.065 2.099 . 0 0 "[ . 1 . 2 .]" 1
13 1 45 LEU HA 1 45 LEU QB 2.440 . 3.080 2.214 2.145 2.386 . 0 0 "[ . 1 . 2 .]" 1
14 1 18 ASP QB 1 19 PRO QD 3.430 . 5.060 3.338 2.036 3.879 . 0 0 "[ . 1 . 2 .]" 1
15 1 24 ALA HA 1 27 GLU QG 3.120 . 4.440 4.140 3.460 4.464 0.024 14 0 "[ . 1 . 2 .]" 1
16 1 42 GLU HA 1 45 LEU QB 2.680 . 3.560 2.972 2.309 3.315 . 0 0 "[ . 1 . 2 .]" 1
17 1 52 VAL HA 1 52 VAL QG 2.480 . 3.160 2.151 2.125 2.171 . 0 0 "[ . 1 . 2 .]" 1
18 1 22 VAL HA 1 25 VAL QG 2.880 . 3.960 2.395 2.123 3.124 . 0 0 "[ . 1 . 2 .]" 1
19 1 13 ILE HA 1 16 ALA MB 2.880 . 3.960 3.171 2.488 3.948 . 0 0 "[ . 1 . 2 .]" 1
20 1 31 ILE HA 1 31 ILE QG 3.290 . 4.780 2.418 2.193 3.160 . 0 0 "[ . 1 . 2 .]" 1
21 1 17 VAL HA 1 21 ALA MB 3.280 . 4.760 4.356 2.148 5.063 0.303 15 0 "[ . 1 . 2 .]" 1
22 1 16 ALA MB 1 17 VAL HA 3.230 . 4.660 4.145 3.885 4.742 0.082 15 0 "[ . 1 . 2 .]" 1
23 1 29 ILE HA 1 29 ILE QG 3.300 . 4.800 3.223 2.524 3.450 . 0 0 "[ . 1 . 2 .]" 1
24 1 48 ALA HA 1 51 VAL QG 2.850 . 3.900 3.104 2.158 3.755 . 0 0 "[ . 1 . 2 .]" 1
25 1 38 LEU HA 1 38 LEU HG 2.700 . 3.600 2.483 2.328 3.528 . 0 0 "[ . 1 . 2 .]" 1
26 1 24 ALA HA 1 25 VAL QG 3.080 . 4.360 4.399 4.336 4.512 0.152 17 0 "[ . 1 . 2 .]" 1
27 1 13 ILE HA 1 13 ILE QG 2.890 . 3.980 2.572 2.248 3.098 . 0 0 "[ . 1 . 2 .]" 1
28 1 50 THR HA 1 50 THR HG1 2.550 . 3.300 2.336 1.889 2.934 . 0 0 "[ . 1 . 2 .]" 1
29 1 14 ILE HA 1 14 ILE QG 2.930 . 4.060 2.811 2.326 3.020 . 0 0 "[ . 1 . 2 .]" 1
30 1 39 VAL HA 1 39 VAL QG 2.610 . 3.420 2.091 2.026 2.165 . 0 0 "[ . 1 . 2 .]" 1
31 1 37 ILE HA 1 37 ILE MD 2.840 . 3.880 3.273 2.150 4.083 0.203 13 0 "[ . 1 . 2 .]" 1
32 1 23 LEU QD 1 26 PHE HA 3.250 . 4.700 4.691 4.314 4.883 0.183 15 0 "[ . 1 . 2 .]" 1
33 1 49 VAL HA 1 52 VAL QG 3.270 . 4.740 2.395 2.130 2.619 . 0 0 "[ . 1 . 2 .]" 1
34 1 46 ASN HA 1 49 VAL QG 3.290 . 4.780 3.455 3.162 3.675 . 0 0 "[ . 1 . 2 .]" 1
35 1 22 VAL HA 1 24 ALA MB 3.610 . 5.420 4.825 4.489 5.190 . 0 0 "[ . 1 . 2 .]" 1
36 1 21 ALA MB 1 22 VAL HA 3.460 . 5.120 3.899 3.799 3.957 . 0 0 "[ . 1 . 2 .]" 1
37 1 36 HIS QB 1 37 ILE MG 3.590 . 5.380 5.147 3.655 5.465 0.085 11 0 "[ . 1 . 2 .]" 1
38 1 25 VAL QG 1 26 PHE HA 3.630 . 5.460 3.905 3.485 4.173 . 0 0 "[ . 1 . 2 .]" 1
39 1 41 GLY QA 1 44 LEU QD 2.970 . 4.140 2.861 2.046 3.917 . 0 0 "[ . 1 . 2 .]" 1
40 1 20 VAL HA 1 23 LEU QD 3.080 . 4.360 3.453 2.419 3.973 . 0 0 "[ . 1 . 2 .]" 1
41 1 26 PHE HA 1 29 ILE QG 3.070 . 4.340 2.486 2.065 4.214 . 0 0 "[ . 1 . 2 .]" 1
42 1 22 VAL HA 1 22 VAL HB 2.790 . 3.780 3.020 2.999 3.028 . 0 0 "[ . 1 . 2 .]" 1
43 1 22 VAL HA 1 25 VAL HB 2.870 . 3.940 3.598 2.617 3.996 0.056 6 0 "[ . 1 . 2 .]" 1
44 1 36 HIS HA 1 39 VAL QG 3.230 . 4.660 2.425 1.952 3.409 . 0 0 "[ . 1 . 2 .]" 1
45 1 20 VAL HA 1 20 VAL HB 2.670 . 3.540 2.997 2.983 3.013 . 0 0 "[ . 1 . 2 .]" 1
46 1 25 VAL HA 1 25 VAL HB 2.580 . 3.360 3.010 2.988 3.034 . 0 0 "[ . 1 . 2 .]" 1
47 1 23 LEU HA 1 23 LEU QD 2.530 . 3.260 2.083 1.937 2.237 . 0 0 "[ . 1 . 2 .]" 1
48 1 49 VAL HA 1 49 VAL HB 2.760 . 3.720 3.010 2.998 3.028 . 0 0 "[ . 1 . 2 .]" 1
49 1 13 ILE HA 1 13 ILE MD 2.720 . 3.640 3.128 2.071 3.818 0.178 15 0 "[ . 1 . 2 .]" 1
50 1 14 ILE MG 1 15 SER QB 3.030 . 4.260 4.338 4.268 4.489 0.229 9 0 "[ . 1 . 2 .]" 1
51 1 14 ILE HA 1 14 ILE MD 2.700 . 3.600 2.234 2.074 3.557 . 0 0 "[ . 1 . 2 .]" 1
52 1 37 ILE HA 1 40 PHE QB 2.850 . 3.900 3.762 2.784 4.228 0.328 18 0 "[ . 1 . 2 .]" 1
53 1 20 VAL HA 1 24 ALA MB 3.610 . 5.420 4.538 3.876 5.276 . 0 0 "[ . 1 . 2 .]" 1
54 1 49 VAL HA 1 52 VAL HB 3.050 . 4.300 4.005 3.639 4.317 0.017 12 0 "[ . 1 . 2 .]" 1
55 1 39 VAL HA 1 39 VAL HB 2.770 . 3.740 2.969 2.626 3.025 . 0 0 "[ . 1 . 2 .]" 1
56 1 37 ILE HA 1 37 ILE QG 2.960 . 4.120 2.327 2.111 3.300 . 0 0 "[ . 1 . 2 .]" 1
57 1 56 LYS HA 1 56 LYS QG 2.960 . 4.120 2.503 2.253 3.402 . 0 0 "[ . 1 . 2 .]" 1
58 1 8 LEU HA 1 8 LEU QB 2.650 . 3.500 2.390 2.157 2.544 . 0 0 "[ . 1 . 2 .]" 1
59 1 9 LEU HA 1 9 LEU QB 2.330 . 2.860 2.361 2.161 2.540 . 0 0 "[ . 1 . 2 .]" 1
60 1 56 LYS HA 1 56 LYS QD 2.630 . 3.460 2.681 2.213 3.549 0.089 10 0 "[ . 1 . 2 .]" 1
61 1 8 LEU HA 1 8 LEU HG 2.970 . 4.140 2.988 2.272 3.686 . 0 0 "[ . 1 . 2 .]" 1
62 1 14 ILE HA 1 14 ILE MG 2.430 . 3.060 2.303 2.266 2.393 . 0 0 "[ . 1 . 2 .]" 1
63 1 10 PHE HA 1 14 ILE QG 3.260 . 4.720 2.320 2.192 2.675 . 0 0 "[ . 1 . 2 .]" 1
64 1 53 LEU HA 1 53 LEU QB 2.410 . 3.020 2.325 2.295 2.402 . 0 0 "[ . 1 . 2 .]" 1
65 1 38 LEU QB 1 39 VAL HA 3.160 . 4.520 3.934 3.623 4.153 . 0 0 "[ . 1 . 2 .]" 1
66 1 53 LEU HA 1 53 LEU HG 2.720 . 3.640 3.028 2.328 3.339 . 0 0 "[ . 1 . 2 .]" 1
67 1 31 ILE MG 1 32 ASN HA 3.020 . 4.240 3.756 2.862 4.361 0.121 25 0 "[ . 1 . 2 .]" 1
68 1 32 ASN HA 1 35 LEU QD 2.940 . 4.080 3.353 2.075 4.297 0.217 24 0 "[ . 1 . 2 .]" 1
69 1 11 GLY QA 1 14 ILE HB 3.320 . 4.840 4.428 4.187 4.748 . 0 0 "[ . 1 . 2 .]" 1
70 1 32 ASN HA 1 35 LEU QB 3.450 . 5.100 4.753 3.665 5.367 0.267 11 0 "[ . 1 . 2 .]" 1
71 1 12 SER HA 1 13 ILE QG 3.260 . 4.720 4.790 4.742 4.833 0.113 8 0 "[ . 1 . 2 .]" 1
72 1 55 LYS HA 1 55 LYS QG 2.680 . 3.560 2.911 2.135 3.402 . 0 0 "[ . 1 . 2 .]" 1
73 1 9 LEU HA 1 9 LEU HG 2.910 . 4.020 2.870 2.321 4.250 0.230 22 0 "[ . 1 . 2 .]" 1
74 1 21 ALA HA 1 24 ALA MB 2.460 . 3.120 2.707 2.549 2.910 . 0 0 "[ . 1 . 2 .]" 1
75 1 22 VAL HA 1 22 VAL QG 2.550 . 3.300 2.077 2.022 2.122 . 0 0 "[ . 1 . 2 .]" 1
76 1 49 VAL HA 1 53 LEU QB 3.330 . 4.860 4.378 4.125 4.648 . 0 0 "[ . 1 . 2 .]" 1
77 1 29 ILE HA 1 29 ILE MD 3.080 . 4.360 3.839 3.421 4.159 . 0 0 "[ . 1 . 2 .]" 1
78 1 18 ASP HA 1 19 PRO QG 2.990 . 4.180 4.154 4.002 5.232 1.052 20 2 "[ . 1 . + - .]" 1
79 1 20 VAL HA 1 21 ALA MB 3.650 . 5.500 5.000 4.935 5.022 . 0 0 "[ . 1 . 2 .]" 1
80 1 25 VAL HA 1 25 VAL QG 2.520 . 3.240 2.090 2.069 2.143 . 0 0 "[ . 1 . 2 .]" 1
81 1 36 HIS HA 1 39 VAL HB 3.050 . 4.300 2.808 2.326 4.598 0.298 18 0 "[ . 1 . 2 .]" 1
82 1 5 LYS HA 1 5 LYS QB 2.460 . 3.120 2.295 2.156 2.542 . 0 0 "[ . 1 . 2 .]" 1
83 1 32 ASN HA 1 35 LEU HG 3.290 . 4.780 3.796 2.327 5.064 0.284 9 0 "[ . 1 . 2 .]" 1
84 1 18 ASP HA 1 21 ALA MB 3.650 . 5.500 4.297 3.348 4.631 . 0 0 "[ . 1 . 2 .]" 1
85 1 47 ASP HA 1 50 THR HG1 3.500 . 5.200 3.342 2.272 4.696 . 0 0 "[ . 1 . 2 .]" 1
86 1 35 LEU HA 1 35 LEU QB 2.520 . 3.240 2.222 2.148 2.388 . 0 0 "[ . 1 . 2 .]" 1
87 1 50 THR HA 1 53 LEU QB 2.770 . 3.740 2.645 2.315 2.985 . 0 0 "[ . 1 . 2 .]" 1
88 1 46 ASN HA 1 49 VAL HB 3.110 . 4.420 2.823 2.573 3.009 . 0 0 "[ . 1 . 2 .]" 1
89 1 17 VAL HA 1 17 VAL HB 2.650 . 3.500 2.522 2.262 3.026 . 0 0 "[ . 1 . 2 .]" 1
90 1 37 ILE HA 1 37 ILE HB 2.750 . 3.700 2.598 2.431 2.814 . 0 0 "[ . 1 . 2 .]" 1
91 1 27 GLU HA 1 27 GLU QB 2.510 . 3.220 2.532 2.414 2.546 . 0 0 "[ . 1 . 2 .]" 1
92 1 48 ALA MB 1 49 VAL HA 3.430 . 5.060 4.071 3.995 4.105 . 0 0 "[ . 1 . 2 .]" 1
93 1 52 VAL HA 1 52 VAL HB 2.600 . 3.400 2.659 2.640 2.689 . 0 0 "[ . 1 . 2 .]" 1
94 1 51 VAL HA 1 51 VAL HB 2.490 . 3.180 2.842 2.522 3.030 . 0 0 "[ . 1 . 2 .]" 1
95 1 19 PRO HA 1 22 VAL HB 2.640 . 3.480 2.455 2.313 3.357 . 0 0 "[ . 1 . 2 .]" 1
96 1 13 ILE HA 1 13 ILE HB 2.670 . 3.540 3.016 3.000 3.024 . 0 0 "[ . 1 . 2 .]" 1
97 1 31 ILE HA 1 31 ILE HB 2.670 . 3.540 2.908 2.314 3.029 . 0 0 "[ . 1 . 2 .]" 1
98 1 35 LEU HA 1 35 LEU HG 2.670 . 3.540 3.411 2.694 3.689 0.149 4 0 "[ . 1 . 2 .]" 1
99 1 20 VAL HA 1 20 VAL QG 2.470 . 3.140 2.080 2.073 2.091 . 0 0 "[ . 1 . 2 .]" 1
100 1 8 LEU HA 1 8 LEU QD 2.940 . 4.080 2.443 1.928 3.402 . 0 0 "[ . 1 . 2 .]" 1
101 1 14 ILE HA 1 14 ILE HB 2.560 . 3.320 3.020 3.010 3.025 . 0 0 "[ . 1 . 2 .]" 1
102 1 23 LEU HA 1 25 VAL HB 3.160 . 4.520 4.592 4.354 4.771 0.251 25 0 "[ . 1 . 2 .]" 1
103 1 15 SER HA 1 17 VAL QG 3.580 . 5.360 4.539 3.955 5.502 0.142 16 0 "[ . 1 . 2 .]" 1
104 1 8 LEU QD 1 9 LEU HA 3.340 . 4.880 4.174 2.328 5.105 0.225 8 0 "[ . 1 . 2 .]" 1
105 1 13 ILE HB 1 14 ILE HA 3.140 . 4.480 4.273 4.051 4.514 0.034 8 0 "[ . 1 . 2 .]" 1
106 1 23 LEU HA 1 24 ALA MB 3.360 . 4.920 4.977 4.940 4.998 0.078 15 0 "[ . 1 . 2 .]" 1
107 1 45 LEU HA 1 48 ALA MB 2.660 . 3.520 2.328 2.289 2.737 . 0 0 "[ . 1 . 2 .]" 1
108 1 14 ILE HB 1 15 SER QB 3.200 . 4.600 4.062 3.938 4.234 . 0 0 "[ . 1 . 2 .]" 1
109 1 16 ALA HA 1 17 VAL QG 3.190 . 4.580 4.083 3.082 4.686 0.106 21 0 "[ . 1 . 2 .]" 1
110 1 26 PHE HA 1 29 ILE MD 2.820 . 3.840 2.503 2.055 3.346 . 0 0 "[ . 1 . 2 .]" 1
111 1 38 LEU HA 1 38 LEU QB 2.440 . 3.080 2.446 2.361 2.543 . 0 0 "[ . 1 . 2 .]" 1
112 1 12 SER QB 1 16 ALA MB 3.590 . 5.380 4.972 4.305 5.431 0.051 19 0 "[ . 1 . 2 .]" 1
113 1 50 THR HG1 1 51 VAL HA 3.170 . 4.540 3.513 2.953 4.446 . 0 0 "[ . 1 . 2 .]" 1
114 1 24 ALA MB 1 25 VAL HA 3.170 . 4.540 3.927 3.865 4.018 . 0 0 "[ . 1 . 2 .]" 1
115 1 21 ALA HA 1 22 VAL QG 3.160 . 4.520 4.566 4.399 4.689 0.169 11 0 "[ . 1 . 2 .]" 1
116 1 20 VAL QG 1 21 ALA HA 3.010 . 4.220 4.041 3.899 4.108 . 0 0 "[ . 1 . 2 .]" 1
117 1 14 ILE MG 1 15 SER HA 3.180 . 4.560 3.712 3.592 3.801 . 0 0 "[ . 1 . 2 .]" 1
118 1 9 LEU QD 1 10 PHE HA 3.490 . 5.180 4.597 2.561 5.243 0.063 1 0 "[ . 1 . 2 .]" 1
119 1 52 VAL H 1 53 LEU QB 3.140 . 4.480 4.209 3.951 4.529 0.049 2 0 "[ . 1 . 2 .]" 1
120 1 18 ASP QB 1 21 ALA MB 3.050 . 4.300 2.509 1.953 4.494 0.194 23 0 "[ . 1 . 2 .]" 1
121 1 48 ALA HA 1 52 VAL HB 2.560 . 3.320 3.371 3.351 3.399 0.079 15 0 "[ . 1 . 2 .]" 1
122 1 20 VAL HB 1 22 VAL H 3.260 . 4.720 4.799 4.657 4.908 0.188 20 0 "[ . 1 . 2 .]" 1
123 1 50 THR HG1 1 51 VAL HB 3.400 . 5.000 4.154 2.731 5.028 0.028 21 0 "[ . 1 . 2 .]" 1
124 1 33 GLU H 1 34 LEU QD 2.990 . 4.180 3.339 2.182 4.235 0.055 4 0 "[ . 1 . 2 .]" 1
125 1 21 ALA MB 1 22 VAL HB 3.600 . 5.400 4.688 4.498 4.854 . 0 0 "[ . 1 . 2 .]" 1
126 1 52 VAL QG 1 55 LYS QD 3.600 . 5.400 4.180 2.855 5.514 0.114 19 0 "[ . 1 . 2 .]" 1
127 1 52 VAL HA 1 53 LEU QB 3.430 . 5.060 5.098 5.072 5.136 0.076 15 0 "[ . 1 . 2 .]" 1
128 1 31 ILE H 1 32 ASN H 3.330 . 4.300 2.954 1.762 4.286 0.038 5 0 "[ . 1 . 2 .]" 1
129 1 35 LEU HA 1 39 VAL QG 3.410 . 5.020 4.723 3.037 5.323 0.303 17 0 "[ . 1 . 2 .]" 1
130 1 52 VAL HA 1 55 LYS QB 2.930 . 4.060 3.485 2.753 4.182 0.122 18 0 "[ . 1 . 2 .]" 1
131 1 38 LEU HA 1 39 VAL QG 3.300 . 4.800 4.585 4.274 4.858 0.058 22 0 "[ . 1 . 2 .]" 1
132 1 45 LEU HA 1 49 VAL QG 3.400 . 5.000 3.246 2.596 3.620 . 0 0 "[ . 1 . 2 .]" 1
133 1 19 PRO HA 1 20 VAL QG 3.150 . 4.500 4.498 4.321 4.559 0.059 17 0 "[ . 1 . 2 .]" 1
134 1 50 THR HB 1 51 VAL QG 3.400 . 5.000 4.021 2.903 5.207 0.207 17 0 "[ . 1 . 2 .]" 1
135 1 35 LEU QD 1 36 HIS HA 3.650 . 5.500 3.907 2.263 5.239 . 0 0 "[ . 1 . 2 .]" 1
136 1 34 LEU HA 1 37 ILE MG 2.700 . 3.600 3.137 2.055 3.656 0.056 15 0 "[ . 1 . 2 .]" 1
137 1 17 VAL QG 1 22 VAL HA 3.410 . 5.020 4.326 3.596 5.237 0.217 9 0 "[ . 1 . 2 .]" 1
138 1 9 LEU QB 1 9 LEU HG 2.640 . 3.480 2.418 2.168 2.547 . 0 0 "[ . 1 . 2 .]" 1
139 1 5 LYS QD 1 8 LEU QB 2.330 . 2.860 2.440 2.029 2.985 0.125 16 0 "[ . 1 . 2 .]" 1
140 1 35 LEU QB 1 39 VAL QG 3.130 . 4.460 4.188 2.163 4.970 0.510 18 1 "[ . 1 . + 2 .]" 1
141 1 38 LEU QB 1 38 LEU QD 2.370 . 2.940 1.901 1.862 1.987 . 0 0 "[ . 1 . 2 .]" 1
142 1 13 ILE HB 1 13 ILE MD 2.570 . 3.340 2.526 2.124 3.205 . 0 0 "[ . 1 . 2 .]" 1
143 1 14 ILE HB 1 14 ILE MD 2.730 . 3.660 3.164 2.562 3.226 . 0 0 "[ . 1 . 2 .]" 1
144 1 45 LEU QB 1 45 LEU HG 2.330 . 2.860 2.439 2.368 2.484 . 0 0 "[ . 1 . 2 .]" 1
145 1 44 LEU QB 1 44 LEU HG 2.650 . 3.500 2.423 2.181 2.529 . 0 0 "[ . 1 . 2 .]" 1
146 1 35 LEU QB 1 35 LEU HG 2.410 . 3.020 2.409 2.291 2.530 . 0 0 "[ . 1 . 2 .]" 1
147 1 49 VAL QG 1 53 LEU QB 2.680 . 3.560 3.523 3.358 3.663 0.103 15 0 "[ . 1 . 2 .]" 1
148 1 53 LEU QB 1 53 LEU HG 2.300 . 2.800 2.382 2.315 2.537 . 0 0 "[ . 1 . 2 .]" 1
149 1 9 LEU QB 1 9 LEU QD 2.600 . 3.400 1.915 1.858 2.024 . 0 0 "[ . 1 . 2 .]" 1
150 1 13 ILE QG 1 13 ILE MG 2.440 . 3.080 2.170 2.060 2.319 . 0 0 "[ . 1 . 2 .]" 1
151 1 35 LEU QB 1 35 LEU QD 2.500 . 3.200 1.908 1.870 1.974 . 0 0 "[ . 1 . 2 .]" 1
152 1 53 LEU QB 1 53 LEU QD 2.300 . 2.800 1.927 1.860 1.962 . 0 0 "[ . 1 . 2 .]" 1
153 1 17 VAL QG 1 18 ASP QB 3.420 . 5.040 3.056 2.204 4.429 . 0 0 "[ . 1 . 2 .]" 1
154 1 25 VAL QG 1 26 PHE QB 3.370 . 4.940 4.484 4.380 4.589 . 0 0 "[ . 1 . 2 .]" 1
155 1 39 VAL HB 1 40 PHE QB 3.220 . 4.640 4.000 3.469 4.775 0.135 24 0 "[ . 1 . 2 .]" 1
156 1 37 ILE HB 1 38 LEU QB 3.420 . 5.040 5.051 4.601 5.177 0.137 18 0 "[ . 1 . 2 .]" 1
157 1 31 ILE HB 1 31 ILE MD 2.750 . 3.700 2.467 2.122 3.197 . 0 0 "[ . 1 . 2 .]" 1
158 1 24 ALA MB 1 27 GLU QB 2.960 . 4.120 4.135 3.787 4.226 0.106 24 0 "[ . 1 . 2 .]" 1
159 1 20 VAL HB 1 21 ALA MB 3.070 . 4.340 3.866 3.797 3.917 . 0 0 "[ . 1 . 2 .]" 1
160 1 45 LEU HA 1 46 ASN H 2.880 . 3.960 3.522 3.491 3.564 . 0 0 "[ . 1 . 2 .]" 1
161 1 18 ASP H 1 18 ASP HA 2.970 . 3.620 2.467 2.263 2.956 . 0 0 "[ . 1 . 2 .]" 1
162 1 26 PHE HA 1 27 GLU H 2.890 . 3.980 3.356 3.244 3.489 . 0 0 "[ . 1 . 2 .]" 1
163 1 27 GLU HA 1 28 GLU H 3.000 . 4.200 3.258 3.103 3.453 . 0 0 "[ . 1 . 2 .]" 1
164 1 29 ILE HB 1 29 ILE MD 2.820 . 3.840 2.299 2.119 3.236 . 0 0 "[ . 1 . 2 .]" 1
165 1 34 LEU H 1 34 LEU HA 2.880 . 3.960 2.899 2.674 2.959 . 0 0 "[ . 1 . 2 .]" 1
166 1 16 ALA H 1 17 VAL QG 2.960 . 4.120 3.373 2.775 4.149 0.029 9 0 "[ . 1 . 2 .]" 1
167 1 14 ILE HB 1 15 SER H 2.930 . 3.680 2.996 2.836 3.291 . 0 0 "[ . 1 . 2 .]" 1
168 1 37 ILE QG 1 37 ILE MG 2.910 . 4.020 2.226 2.017 2.424 . 0 0 "[ . 1 . 2 .]" 1
169 1 39 VAL H 1 39 VAL HB 2.670 . 3.540 2.754 2.147 3.528 . 0 0 "[ . 1 . 2 .]" 1
170 1 26 PHE QB 1 27 GLU H 3.070 . 4.340 3.147 2.791 3.408 . 0 0 "[ . 1 . 2 .]" 1
171 1 5 LYS H 1 5 LYS QD 3.320 . 4.840 4.075 1.765 4.844 0.035 10 0 "[ . 1 . 2 .]" 1
172 1 29 ILE QG 1 29 ILE MG 2.690 . 3.580 2.098 1.872 2.408 . 0 0 "[ . 1 . 2 .]" 1
173 1 50 THR HG1 1 51 VAL QG 3.170 . 4.540 3.198 2.018 4.489 . 0 0 "[ . 1 . 2 .]" 1
174 1 25 VAL QG 1 29 ILE MD 3.140 . 4.480 2.862 1.980 4.548 0.068 19 0 "[ . 1 . 2 .]" 1
175 1 17 VAL HB 1 22 VAL QG 3.300 . 4.800 4.298 2.352 5.243 0.443 23 0 "[ . 1 . 2 .]" 1
176 1 48 ALA MB 1 51 VAL QG 3.130 . 4.460 4.129 3.451 4.559 0.099 1 0 "[ . 1 . 2 .]" 1
177 1 31 ILE QG 1 31 ILE MG 3.080 . 4.360 2.161 1.883 2.497 . 0 0 "[ . 1 . 2 .]" 1
178 1 45 LEU QB 1 49 VAL QG 3.310 . 4.820 3.021 2.321 3.546 . 0 0 "[ . 1 . 2 .]" 1
179 1 52 VAL QG 1 53 LEU QB 3.190 . 4.580 3.163 2.995 3.311 . 0 0 "[ . 1 . 2 .]" 1
180 1 6 ASP HA 1 7 ASN H 2.730 . 3.280 3.225 2.341 3.547 0.267 3 0 "[ . 1 . 2 .]" 1
181 1 14 ILE QG 1 14 ILE MG 2.620 . 3.440 2.360 2.193 2.491 . 0 0 "[ . 1 . 2 .]" 1
182 1 54 TYR HA 1 55 LYS H 3.110 . 3.200 3.239 3.095 3.474 0.274 5 0 "[ . 1 . 2 .]" 1
183 1 11 GLY H 1 13 ILE H 3.020 . 4.240 3.771 3.506 4.120 . 0 0 "[ . 1 . 2 .]" 1
184 1 15 SER HA 1 17 VAL H 2.970 . 4.140 4.072 3.793 4.285 0.145 19 0 "[ . 1 . 2 .]" 1
185 1 5 LYS QD 1 8 LEU QD 2.780 . 3.760 2.887 1.968 3.774 0.014 22 0 "[ . 1 . 2 .]" 1
186 1 45 LEU QB 1 45 LEU QD 2.320 . 2.840 1.891 1.883 1.911 . 0 0 "[ . 1 . 2 .]" 1
187 1 16 ALA MB 1 17 VAL QG 3.130 . 4.460 3.903 2.400 4.446 . 0 0 "[ . 1 . 2 .]" 1
188 1 8 LEU QB 1 8 LEU QD 2.680 . 3.560 1.918 1.856 2.020 . 0 0 "[ . 1 . 2 .]" 1
189 1 37 ILE MG 1 38 LEU H 3.040 . 4.280 2.165 1.817 3.894 . 0 0 "[ . 1 . 2 .]" 1
190 1 38 LEU H 1 39 VAL QG 3.290 . 4.780 3.439 3.037 4.269 . 0 0 "[ . 1 . 2 .]" 1
191 1 12 SER H 1 14 ILE QG 3.350 . 4.900 4.948 4.800 5.011 0.111 24 0 "[ . 1 . 2 .]" 1
192 1 36 HIS H 1 39 VAL QG 3.590 . 5.380 4.442 3.713 4.931 . 0 0 "[ . 1 . 2 .]" 1
193 1 14 ILE QG 1 15 SER H 3.320 . 4.660 4.049 3.880 4.215 . 0 0 "[ . 1 . 2 .]" 1
194 1 39 VAL QG 1 40 PHE H 2.640 . 3.480 3.048 1.854 3.389 . 0 0 "[ . 1 . 2 .]" 1
195 1 18 ASP H 1 22 VAL QG 3.430 . 5.060 4.129 2.603 4.855 . 0 0 "[ . 1 . 2 .]" 1
196 1 49 VAL H 1 49 VAL QG 2.880 . 3.560 2.806 2.597 2.893 . 0 0 "[ . 1 . 2 .]" 1
197 1 31 ILE MG 1 32 ASN H 2.870 . 3.940 2.700 1.773 3.597 0.027 7 0 "[ . 1 . 2 .]" 1
198 1 50 THR HG1 1 54 TYR QE 3.280 . 4.760 2.342 1.852 2.966 . 0 0 "[ . 1 . 2 .]" 1
199 1 31 ILE H 1 31 ILE MG 3.530 . 5.260 3.730 2.556 4.094 . 0 0 "[ . 1 . 2 .]" 1
200 1 31 ILE MD 1 32 ASN H 3.390 . 4.980 3.987 2.814 4.890 . 0 0 "[ . 1 . 2 .]" 1
201 1 9 LEU QD 1 10 PHE H 3.150 . 4.500 3.658 1.928 4.199 . 0 0 "[ . 1 . 2 .]" 1
202 1 53 LEU H 1 53 LEU QD 3.020 . 4.240 3.715 3.650 3.744 . 0 0 "[ . 1 . 2 .]" 1
203 1 45 LEU QD 1 46 ASN H 3.100 . 4.400 3.096 2.733 3.681 . 0 0 "[ . 1 . 2 .]" 1
204 1 20 VAL QG 1 21 ALA H 2.960 . 3.960 3.234 3.117 3.345 . 0 0 "[ . 1 . 2 .]" 1
205 1 22 VAL QG 1 25 VAL H 3.480 . 5.160 4.256 3.795 4.533 . 0 0 "[ . 1 . 2 .]" 1
206 1 25 VAL QG 1 26 PHE QD 3.650 . 5.500 3.759 2.740 4.455 . 0 0 "[ . 1 . 2 .]" 1
207 1 44 LEU H 1 44 LEU QB 2.640 . 3.480 2.247 2.041 2.718 . 0 0 "[ . 1 . 2 .]" 1
208 1 21 ALA MB 1 22 VAL H 2.790 . 3.780 2.823 2.699 3.047 . 0 0 "[ . 1 . 2 .]" 1
209 1 4 LYS H 1 4 LYS QB 2.560 . 2.700 2.609 2.163 3.141 0.441 19 0 "[ . 1 . 2 .]" 1
210 1 5 LYS H 1 5 LYS QB 2.610 . 2.640 2.704 2.029 3.059 0.419 22 0 "[ . 1 . 2 .]" 1
211 1 42 GLU H 1 45 LEU HG 3.430 . 5.060 5.043 4.653 5.150 0.090 11 0 "[ . 1 . 2 .]" 1
212 1 4 LYS H 1 4 LYS QD 2.560 . 3.320 2.577 1.797 3.427 0.107 7 0 "[ . 1 . 2 .]" 1
213 1 45 LEU QB 1 46 ASN H 2.730 . 3.660 2.973 1.801 3.504 . 0 0 "[ . 1 . 2 .]" 1
214 1 56 LYS H 1 56 LYS QD 3.140 . 4.480 3.833 2.307 4.697 0.217 25 0 "[ . 1 . 2 .]" 1
215 1 8 LEU H 1 8 LEU QB 2.620 . 3.440 2.355 2.068 2.895 . 0 0 "[ . 1 . 2 .]" 1
216 1 5 LYS QD 1 9 LEU H 3.040 . 4.280 3.997 2.296 4.598 0.318 20 0 "[ . 1 . 2 .]" 1
217 1 29 ILE H 1 29 ILE QG 3.320 . 4.840 2.298 1.789 3.731 0.011 12 0 "[ . 1 . 2 .]" 1
218 1 24 ALA MB 1 27 GLU H 3.490 . 5.180 4.823 4.668 4.875 . 0 0 "[ . 1 . 2 .]" 1
219 1 16 ALA H 1 16 ALA MB 2.520 . 3.160 2.563 2.336 2.757 . 0 0 "[ . 1 . 2 .]" 1
220 1 24 ALA MB 1 25 VAL H 2.780 . 3.760 3.023 2.918 3.184 . 0 0 "[ . 1 . 2 .]" 1
221 1 16 ALA MB 1 17 VAL H 2.830 . 3.780 3.355 3.041 3.629 . 0 0 "[ . 1 . 2 .]" 1
222 1 24 ALA H 1 24 ALA MB 2.450 . 3.100 2.096 2.004 2.236 . 0 0 "[ . 1 . 2 .]" 1
223 1 21 ALA H 1 21 ALA MB 2.530 . 3.260 2.171 2.053 2.267 . 0 0 "[ . 1 . 2 .]" 1
224 1 48 ALA H 1 48 ALA MB 2.410 . 3.020 2.335 2.207 2.430 . 0 0 "[ . 1 . 2 .]" 1
225 1 49 VAL H 1 50 THR HG1 3.650 . 5.500 3.918 3.272 4.670 . 0 0 "[ . 1 . 2 .]" 1
226 1 4 LYS H 1 4 LYS QG 2.930 . 3.620 2.527 1.836 3.573 . 0 0 "[ . 1 . 2 .]" 1
227 1 5 LYS H 1 5 LYS QG 2.990 . 3.280 2.661 1.825 3.572 0.292 12 0 "[ . 1 . 2 .]" 1
228 1 6 ASP QB 1 7 ASN H . . 3.300 3.151 1.927 3.834 0.534 5 3 "[ + 1 * . - 2 .]" 1
229 1 17 VAL HB 1 18 ASP H 3.000 . 4.200 4.205 3.608 4.353 0.153 12 0 "[ . 1 . 2 .]" 1
230 1 35 LEU H 1 35 LEU HG 2.650 . 3.240 2.141 1.763 2.842 0.037 20 0 "[ . 1 . 2 .]" 1
231 1 49 VAL H 1 49 VAL HB 2.630 . 3.320 2.382 2.294 2.505 . 0 0 "[ . 1 . 2 .]" 1
232 1 42 GLU H 1 42 GLU QB 2.890 . 3.280 2.315 2.055 2.598 . 0 0 "[ . 1 . 2 .]" 1
233 1 46 ASN QB 1 47 ASP H 2.850 . 3.900 3.083 2.710 3.425 . 0 0 "[ . 1 . 2 .]" 1
234 1 18 ASP H 1 18 ASP QB 2.750 . 3.460 2.824 2.075 3.161 . 0 0 "[ . 1 . 2 .]" 1
235 1 47 ASP H 1 47 ASP QB 2.650 . 3.400 2.324 2.163 2.493 . 0 0 "[ . 1 . 2 .]" 1
236 1 42 GLU H 1 42 GLU QG 3.310 . 4.520 2.874 1.826 4.042 . 0 0 "[ . 1 . 2 .]" 1
237 1 6 ASP H 1 6 ASP QB . . 2.800 2.663 2.182 3.225 0.425 8 0 "[ . 1 . 2 .]" 1
238 1 7 ASN H 1 7 ASN QB . . 2.920 2.977 2.427 3.468 0.548 5 2 "[ + 1 - . 2 .]" 1
239 1 5 LYS QB 1 6 ASP H 3.250 . 4.700 2.546 1.866 3.482 . 0 0 "[ . 1 . 2 .]" 1
240 1 17 VAL QG 1 18 ASP H 2.860 . 3.920 2.934 1.709 3.695 0.091 8 0 "[ . 1 . 2 .]" 1
241 1 9 LEU H 1 9 LEU QD 3.150 . 3.860 2.433 1.774 3.720 0.026 22 0 "[ . 1 . 2 .]" 1
242 1 8 LEU H 1 8 LEU QD 2.740 . 3.680 3.160 1.874 3.835 0.155 13 0 "[ . 1 . 2 .]" 1
243 1 45 LEU QD 1 48 ALA H 3.350 . 4.900 4.314 4.096 4.743 . 0 0 "[ . 1 . 2 .]" 1
244 1 50 THR H 1 50 THR HB 2.810 . 3.320 2.619 2.194 3.363 0.043 24 0 "[ . 1 . 2 .]" 1
245 1 56 LYS H 1 56 LYS HA . . 2.340 2.322 2.297 2.524 0.184 5 0 "[ . 1 . 2 .]" 1
246 1 12 SER H 1 12 SER HA 2.630 . 3.060 2.955 2.947 2.959 . 0 0 "[ . 1 . 2 .]" 1
247 1 44 LEU QD 1 47 ASP H 3.460 . 5.120 4.886 4.355 5.206 0.086 15 0 "[ . 1 . 2 .]" 1
248 1 9 LEU H 1 9 LEU QB 2.700 . 3.600 2.409 2.038 2.880 . 0 0 "[ . 1 . 2 .]" 1
249 1 45 LEU QB 1 48 ALA H 3.170 . 4.540 4.552 4.314 4.684 0.144 2 0 "[ . 1 . 2 .]" 1
250 1 9 LEU QB 1 10 PHE H 3.010 . 3.360 2.937 1.996 3.846 0.486 16 0 "[ . 1 . 2 .]" 1
251 1 9 LEU HG 1 10 PHE H 3.400 . 5.000 4.151 2.609 5.117 0.117 11 0 "[ . 1 . 2 .]" 1
252 1 35 LEU H 1 35 LEU QD 2.960 . 4.120 2.714 1.751 3.398 0.049 22 0 "[ . 1 . 2 .]" 1
253 1 42 GLU H 1 45 LEU QD 3.330 . 4.860 4.176 3.220 4.380 . 0 0 "[ . 1 . 2 .]" 1
254 1 9 LEU H 1 9 LEU HG 2.970 . 4.140 2.987 1.831 4.324 0.184 8 0 "[ . 1 . 2 .]" 1
255 1 31 ILE H 1 31 ILE HB 3.140 . 4.480 3.210 2.583 3.847 . 0 0 "[ . 1 . 2 .]" 1
256 1 40 PHE QB 1 41 GLY H 2.850 . 3.880 3.078 1.958 3.606 . 0 0 "[ . 1 . 2 .]" 1
257 1 17 VAL H 1 17 VAL QG 2.890 . 3.340 2.205 1.766 3.068 0.034 23 0 "[ . 1 . 2 .]" 1
258 1 25 VAL H 1 25 VAL QG 2.810 . 3.820 2.032 1.803 2.406 . 0 0 "[ . 1 . 2 .]" 1
259 1 22 VAL H 1 22 VAL QG 2.890 . 3.980 2.333 1.892 2.520 . 0 0 "[ . 1 . 2 .]" 1
260 1 14 ILE H 1 14 ILE MG 2.750 . 3.700 3.736 3.729 3.742 0.042 2 0 "[ . 1 . 2 .]" 1
261 1 14 ILE H 1 14 ILE MD 3.100 . 4.400 3.298 2.840 3.714 . 0 0 "[ . 1 . 2 .]" 1
262 1 14 ILE MD 1 15 SER H 3.290 . 4.780 4.706 4.483 4.894 0.114 24 0 "[ . 1 . 2 .]" 1
263 1 29 ILE H 1 29 ILE MG 3.170 . 4.540 2.991 1.656 4.000 0.144 25 0 "[ . 1 . 2 .]" 1
264 1 9 LEU QD 1 10 PHE HZ 3.380 . 4.960 4.019 2.378 4.962 0.002 2 0 "[ . 1 . 2 .]" 1
265 1 29 ILE H 1 29 ILE MD 3.450 . 5.100 3.612 1.738 4.422 0.062 22 0 "[ . 1 . 2 .]" 1
266 1 32 ASN H 1 32 ASN QB 2.890 . 3.540 2.774 2.048 3.488 . 0 0 "[ . 1 . 2 .]" 1
267 1 44 LEU HA 1 47 ASP H 3.070 . 4.080 3.830 3.685 4.001 . 0 0 "[ . 1 . 2 .]" 1
268 1 34 LEU HA 1 35 LEU H 3.100 . 4.400 3.477 3.245 3.569 . 0 0 "[ . 1 . 2 .]" 1
269 1 17 VAL HA 1 18 ASP H 2.300 . 2.800 2.310 2.091 3.065 0.265 19 0 "[ . 1 . 2 .]" 1
270 1 41 GLY QA 1 42 GLU H 3.120 . 3.880 2.724 2.572 2.848 . 0 0 "[ . 1 . 2 .]" 1
271 1 49 VAL H 1 49 VAL HA 2.730 . 3.660 2.951 2.936 2.962 . 0 0 "[ . 1 . 2 .]" 1
272 1 10 PHE H 1 10 PHE QB 2.680 . 2.940 2.488 2.192 2.725 . 0 0 "[ . 1 . 2 .]" 1
273 1 42 GLU H 1 42 GLU HA 2.690 . 3.580 2.881 2.760 2.940 . 0 0 "[ . 1 . 2 .]" 1
274 1 11 GLY H 1 11 GLY QA 2.620 . 2.920 2.311 2.218 2.335 . 0 0 "[ . 1 . 2 .]" 1
275 1 5 LYS HA 1 6 ASP H 2.420 . 2.560 2.427 2.103 2.642 0.082 25 0 "[ . 1 . 2 .]" 1
276 1 2 SER QB 1 3 LYS H . . 3.120 2.553 1.824 3.125 0.005 9 0 "[ . 1 . 2 .]" 1
277 1 40 PHE HA 1 42 GLU H 3.190 . 4.580 4.325 3.898 4.619 0.039 3 0 "[ . 1 . 2 .]" 1
278 1 32 ASN HA 1 35 LEU H 3.340 . 4.860 4.056 3.053 4.956 0.096 12 0 "[ . 1 . 2 .]" 1
279 1 31 ILE HB 1 32 ASN H 3.100 . 4.340 2.789 1.759 4.442 0.102 3 0 "[ . 1 . 2 .]" 1
280 1 3 LYS HA 1 4 LYS H 2.610 . 3.420 2.673 2.141 3.428 0.008 23 0 "[ . 1 . 2 .]" 1
281 1 5 LYS H 1 5 LYS HA 2.350 . 2.840 2.783 2.271 2.945 0.105 5 0 "[ . 1 . 2 .]" 1
282 1 9 LEU H 1 9 LEU HA 2.640 . 3.480 2.801 2.713 2.922 . 0 0 "[ . 1 . 2 .]" 1
283 1 46 ASN HA 1 47 ASP H 2.760 . 3.720 3.492 3.436 3.524 . 0 0 "[ . 1 . 2 .]" 1
284 1 9 LEU HA 1 10 PHE H 2.610 . 3.420 3.428 3.258 3.539 0.119 21 0 "[ . 1 . 2 .]" 1
285 1 29 ILE H 1 29 ILE HB 2.940 . 4.080 3.690 2.987 3.946 . 0 0 "[ . 1 . 2 .]" 1
286 1 12 SER QB 1 13 ILE H 2.870 . 3.940 2.648 2.255 2.925 . 0 0 "[ . 1 . 2 .]" 1
287 1 42 GLU HA 1 45 LEU H 3.090 . 4.380 2.922 2.733 3.414 . 0 0 "[ . 1 . 2 .]" 1
288 1 45 LEU H 1 45 LEU HA 2.570 . 3.340 2.893 2.855 2.919 . 0 0 "[ . 1 . 2 .]" 1
289 1 42 GLU HA 1 43 SER H 2.860 . 3.920 3.547 3.372 3.588 . 0 0 "[ . 1 . 2 .]" 1
290 1 57 LYS H 1 57 LYS HA 2.660 . 3.460 2.583 2.296 2.937 . 0 0 "[ . 1 . 2 .]" 1
291 1 43 SER H 1 43 SER QB 2.530 . 3.120 2.573 2.122 2.865 . 0 0 "[ . 1 . 2 .]" 1
292 1 35 LEU H 1 35 LEU HA 2.770 . 3.740 2.912 2.842 2.936 . 0 0 "[ . 1 . 2 .]" 1
293 1 48 ALA H 1 48 ALA HA 2.510 . 3.220 2.941 2.886 2.963 . 0 0 "[ . 1 . 2 .]" 1
294 1 31 ILE HA 1 32 ASN H 2.980 . 4.160 3.467 2.179 3.627 . 0 0 "[ . 1 . 2 .]" 1
295 1 45 LEU HA 1 48 ALA H 2.760 . 3.720 3.079 2.919 3.181 . 0 0 "[ . 1 . 2 .]" 1
296 1 27 GLU H 1 27 GLU HA 2.680 . 3.560 2.874 2.745 2.945 . 0 0 "[ . 1 . 2 .]" 1
297 1 38 LEU HA 1 39 VAL H 2.910 . 4.020 3.538 3.485 3.567 . 0 0 "[ . 1 . 2 .]" 1
298 1 42 GLU HA 1 46 ASN H 3.340 . 4.880 3.508 3.188 3.979 . 0 0 "[ . 1 . 2 .]" 1
299 1 43 SER QB 1 47 ASP H 3.360 . 4.920 4.993 4.914 5.050 0.130 2 0 "[ . 1 . 2 .]" 1
300 1 49 VAL H 1 50 THR HA 3.340 . 4.880 4.770 4.653 4.896 0.016 19 0 "[ . 1 . 2 .]" 1
301 1 19 PRO HA 1 22 VAL H 2.840 . 3.880 3.237 3.049 3.911 0.031 23 0 "[ . 1 . 2 .]" 1
302 1 39 VAL H 1 39 VAL HA 2.790 . 3.780 2.832 2.746 2.915 . 0 0 "[ . 1 . 2 .]" 1
303 1 39 VAL HA 1 43 SER H 2.940 . 4.080 3.985 3.356 4.136 0.056 16 0 "[ . 1 . 2 .]" 1
304 1 25 VAL HA 1 28 GLU H 3.030 . 4.260 3.965 3.438 4.246 . 0 0 "[ . 1 . 2 .]" 1
305 1 37 ILE HA 1 40 PHE H 3.080 . 4.360 4.262 3.704 4.640 0.280 19 0 "[ . 1 . 2 .]" 1
306 1 37 ILE H 1 37 ILE HA 2.970 . 4.140 2.731 2.612 2.906 . 0 0 "[ . 1 . 2 .]" 1
307 1 14 ILE HA 1 17 VAL H 3.250 . 4.700 3.259 3.005 3.432 . 0 0 "[ . 1 . 2 .]" 1
308 1 24 ALA HA 1 25 VAL H 3.060 . 4.320 3.379 3.311 3.427 . 0 0 "[ . 1 . 2 .]" 1
309 1 17 VAL H 1 17 VAL HA 2.640 . 3.480 2.761 2.266 2.954 . 0 0 "[ . 1 . 2 .]" 1
310 1 50 THR HA 1 54 TYR QD 3.050 . 4.300 4.138 3.807 4.456 0.156 10 0 "[ . 1 . 2 .]" 1
311 1 8 LEU HA 1 9 LEU H 2.540 . 3.280 2.874 2.163 3.535 0.255 13 0 "[ . 1 . 2 .]" 1
312 1 46 ASN H 1 46 ASN HA 2.780 . 3.620 2.808 2.720 2.873 . 0 0 "[ . 1 . 2 .]" 1
313 1 43 SER H 1 43 SER HA 2.690 . 3.580 2.747 2.687 2.853 . 0 0 "[ . 1 . 2 .]" 1
314 1 53 LEU H 1 53 LEU HA 2.660 . 3.520 2.837 2.767 2.897 . 0 0 "[ . 1 . 2 .]" 1
315 1 43 SER HA 1 46 ASN H 3.160 . 4.520 3.765 3.534 4.054 . 0 0 "[ . 1 . 2 .]" 1
316 1 36 HIS HA 1 39 VAL H 3.180 . 4.560 2.928 2.569 3.724 . 0 0 "[ . 1 . 2 .]" 1
317 1 40 PHE H 1 40 PHE HA 2.790 . 3.780 2.851 2.718 2.924 . 0 0 "[ . 1 . 2 .]" 1
318 1 40 PHE HA 1 41 GLY H 3.310 . 4.660 3.486 3.314 3.572 . 0 0 "[ . 1 . 2 .]" 1
319 1 32 ASN H 1 32 ASN HA 2.750 . 3.700 2.810 2.290 2.963 . 0 0 "[ . 1 . 2 .]" 1
320 1 54 TYR HA 1 54 TYR QD 2.890 . 3.980 3.680 3.547 3.705 . 0 0 "[ . 1 . 2 .]" 1
321 1 40 PHE HA 1 40 PHE QE 3.500 . 5.180 5.141 4.172 5.280 0.100 14 0 "[ . 1 . 2 .]" 1
322 1 28 GLU HA 1 29 ILE H 3.280 . 4.760 3.214 2.157 3.590 . 0 0 "[ . 1 . 2 .]" 1
323 1 21 ALA H 1 21 ALA HA 2.650 . 3.500 2.878 2.858 2.898 . 0 0 "[ . 1 . 2 .]" 1
324 1 36 HIS HA 1 36 HIS HD2 3.450 . 5.040 4.139 2.701 4.936 . 0 0 "[ . 1 . 2 .]" 1
325 1 16 ALA HA 1 17 VAL H 2.690 . 3.380 3.207 2.970 3.395 0.015 20 0 "[ . 1 . 2 .]" 1
326 1 44 LEU H 1 44 LEU HA 2.790 . 3.780 2.883 2.744 2.944 . 0 0 "[ . 1 . 2 .]" 1
327 1 21 ALA HA 1 22 VAL H 3.010 . 4.220 3.457 3.393 3.496 . 0 0 "[ . 1 . 2 .]" 1
328 1 10 PHE HA 1 10 PHE QE 3.350 . 4.900 4.577 4.188 4.792 . 0 0 "[ . 1 . 2 .]" 1
329 1 26 PHE HA 1 26 PHE QE 3.380 . 4.960 4.248 4.170 4.400 . 0 0 "[ . 1 . 2 .]" 1
330 1 10 PHE HA 1 10 PHE QD 2.740 . 3.680 2.837 2.288 3.141 . 0 0 "[ . 1 . 2 .]" 1
331 1 15 SER H 1 15 SER HA 2.630 . 3.160 2.911 2.886 2.924 . 0 0 "[ . 1 . 2 .]" 1
332 1 44 LEU HA 1 45 LEU H 2.890 . 3.980 3.518 3.402 3.566 . 0 0 "[ . 1 . 2 .]" 1
333 1 33 GLU HA 1 34 LEU H 3.270 . 4.740 3.323 2.996 3.557 . 0 0 "[ . 1 . 2 .]" 1
334 1 12 SER HA 1 13 ILE H 2.720 . 3.460 3.509 3.479 3.538 0.078 15 0 "[ . 1 . 2 .]" 1
335 1 26 PHE H 1 26 PHE HA 2.690 . 3.580 2.798 2.747 2.866 . 0 0 "[ . 1 . 2 .]" 1
336 1 10 PHE HA 1 14 ILE H 3.260 . 4.720 2.671 2.222 3.079 . 0 0 "[ . 1 . 2 .]" 1
337 1 33 GLU H 1 33 GLU HA 2.850 . 3.900 2.697 2.302 2.957 . 0 0 "[ . 1 . 2 .]" 1
338 1 32 ASN HA 1 33 GLU H 3.100 . 4.400 2.920 2.171 3.595 . 0 0 "[ . 1 . 2 .]" 1
339 1 37 ILE HB 1 38 LEU H 2.800 . 3.800 3.785 3.265 3.925 0.125 18 0 "[ . 1 . 2 .]" 1
340 1 33 GLU QB 1 34 LEU H 3.270 . 4.740 3.148 1.790 3.984 0.010 13 0 "[ . 1 . 2 .]" 1
341 1 37 ILE H 1 37 ILE HB 2.780 . 3.760 2.283 1.994 3.539 . 0 0 "[ . 1 . 2 .]" 1
342 1 56 LYS QB 1 57 LYS H 2.900 . 4.000 3.708 2.905 4.020 0.020 19 0 "[ . 1 . 2 .]" 1
343 1 38 LEU QB 1 40 PHE H 3.200 . 4.600 4.632 4.134 4.804 0.204 22 0 "[ . 1 . 2 .]" 1
344 1 14 ILE HB 1 16 ALA H 3.310 . 4.820 4.847 4.714 5.068 0.248 9 0 "[ . 1 . 2 .]" 1
345 1 38 LEU QB 1 39 VAL H 2.850 . 3.900 2.502 2.023 2.792 . 0 0 "[ . 1 . 2 .]" 1
346 1 38 LEU H 1 40 PHE QB 3.340 . 4.880 4.745 4.026 4.939 0.059 11 0 "[ . 1 . 2 .]" 1
347 1 25 VAL H 1 25 VAL HA 2.680 . 3.560 2.918 2.913 2.920 . 0 0 "[ . 1 . 2 .]" 1
348 1 20 VAL HA 1 22 VAL H 3.320 . 4.840 4.063 3.861 4.244 . 0 0 "[ . 1 . 2 .]" 1
349 1 22 VAL H 1 23 LEU H 2.730 . 3.660 2.236 2.171 2.368 . 0 0 "[ . 1 . 2 .]" 1
350 1 13 ILE H 1 15 SER H 3.040 . 4.060 3.206 3.112 3.528 . 0 0 "[ . 1 . 2 .]" 1
351 1 13 ILE H 1 14 ILE H 2.650 . 3.440 2.561 2.382 2.711 . 0 0 "[ . 1 . 2 .]" 1
352 1 52 VAL H 1 53 LEU H 2.650 . 3.500 2.497 2.247 2.834 . 0 0 "[ . 1 . 2 .]" 1
353 1 53 LEU H 1 55 LYS H 3.170 . 4.540 3.424 3.217 3.684 . 0 0 "[ . 1 . 2 .]" 1
354 1 49 VAL H 1 50 THR H 2.760 . 3.560 2.024 1.891 2.239 . 0 0 "[ . 1 . 2 .]" 1
355 1 10 PHE H 1 10 PHE QD 2.900 . 4.000 2.294 1.791 3.143 0.009 6 0 "[ . 1 . 2 .]" 1
356 1 11 GLY H 1 12 SER H 2.730 . 3.420 2.236 2.091 2.683 . 0 0 "[ . 1 . 2 .]" 1
357 1 36 HIS H 1 38 LEU H 3.260 . 4.720 4.497 4.176 4.879 0.159 24 0 "[ . 1 . 2 .]" 1
358 1 12 SER H 1 14 ILE H 3.260 . 4.720 3.676 3.459 3.814 . 0 0 "[ . 1 . 2 .]" 1
359 1 45 LEU H 1 46 ASN H 2.890 . 3.980 2.492 2.250 2.945 . 0 0 "[ . 1 . 2 .]" 1
360 1 12 SER H 1 13 ILE H 2.550 . 3.300 1.870 1.787 2.078 0.013 8 0 "[ . 1 . 2 .]" 1
361 1 56 LYS H 1 57 LYS H 2.820 . 3.840 3.570 3.067 3.982 0.142 25 0 "[ . 1 . 2 .]" 1
362 1 28 GLU H 1 29 ILE H 3.060 . 4.320 2.365 1.729 3.760 0.071 12 0 "[ . 1 . 2 .]" 1
363 1 16 ALA H 1 17 VAL H 2.520 . 3.060 1.892 1.745 2.060 0.055 9 0 "[ . 1 . 2 .]" 1
364 1 24 ALA H 1 25 VAL H 2.720 . 3.640 2.623 2.424 2.735 . 0 0 "[ . 1 . 2 .]" 1
365 1 20 VAL H 1 21 ALA H 2.610 . 3.420 2.490 2.129 2.769 . 0 0 "[ . 1 . 2 .]" 1
366 1 17 VAL H 1 18 ASP H 3.050 . 4.240 3.979 2.359 4.360 0.120 8 0 "[ . 1 . 2 .]" 1
367 1 15 SER H 1 17 VAL H 3.280 . 4.400 3.831 3.218 4.180 . 0 0 "[ . 1 . 2 .]" 1
368 1 48 ALA H 1 51 VAL H 3.270 . 4.740 4.714 4.370 4.821 0.081 18 0 "[ . 1 . 2 .]" 1
369 1 55 LYS H 1 56 LYS H 2.730 . 3.540 3.141 2.590 3.281 . 0 0 "[ . 1 . 2 .]" 1
370 1 44 LEU H 1 45 LEU H 2.870 . 3.940 2.391 2.075 2.785 . 0 0 "[ . 1 . 2 .]" 1
371 1 54 TYR H 1 55 LYS H 2.540 . 3.280 2.255 1.941 2.552 . 0 0 "[ . 1 . 2 .]" 1
372 1 43 SER H 1 44 LEU H 2.780 . 3.720 2.817 2.531 2.960 . 0 0 "[ . 1 . 2 .]" 1
373 1 23 LEU QD 1 26 PHE QE 3.500 . 5.200 4.131 3.332 4.744 . 0 0 "[ . 1 . 2 .]" 1
374 1 10 PHE QD 1 14 ILE MG 3.190 . 4.580 3.848 3.304 4.451 . 0 0 "[ . 1 . 2 .]" 1
375 1 23 LEU QD 1 26 PHE QD 3.210 . 4.620 2.903 2.255 3.319 . 0 0 "[ . 1 . 2 .]" 1
376 1 40 PHE QD 1 44 LEU QD 3.130 . 4.460 3.368 2.406 4.470 0.010 13 0 "[ . 1 . 2 .]" 1
377 1 22 VAL QG 1 26 PHE QE 3.060 . 4.320 2.637 2.070 3.482 . 0 0 "[ . 1 . 2 .]" 1
378 1 26 PHE QD 1 29 ILE MD 3.040 . 4.280 2.468 2.025 2.991 . 0 0 "[ . 1 . 2 .]" 1
379 1 26 PHE QD 1 29 ILE MG 3.590 . 5.380 5.107 4.191 5.537 0.157 14 0 "[ . 1 . 2 .]" 1
380 1 22 VAL QG 1 26 PHE QD 3.060 . 4.320 3.096 2.289 3.785 . 0 0 "[ . 1 . 2 .]" 1
381 1 50 THR HG1 1 54 TYR QD 3.220 . 4.640 3.720 2.935 4.497 . 0 0 "[ . 1 . 2 .]" 1
382 1 10 PHE QB 1 10 PHE QD 2.800 . 3.800 2.163 2.148 2.222 . 0 0 "[ . 1 . 2 .]" 1
383 1 54 TYR QB 1 54 TYR QD 2.790 . 3.780 2.151 2.144 2.213 . 0 0 "[ . 1 . 2 .]" 1
384 1 36 HIS QB 1 36 HIS HD2 3.400 . 4.920 3.036 2.670 3.311 . 0 0 "[ . 1 . 2 .]" 1
385 1 40 PHE QB 1 40 PHE QE 3.180 . 4.560 3.958 3.942 3.980 . 0 0 "[ . 1 . 2 .]" 1
386 1 40 PHE QB 1 40 PHE QD 2.560 . 3.320 2.149 2.137 2.194 . 0 0 "[ . 1 . 2 .]" 1
387 1 53 LEU QB 1 54 TYR QD 3.390 . 4.980 2.552 2.322 3.241 . 0 0 "[ . 1 . 2 .]" 1
388 1 26 PHE QE 1 29 ILE MD 3.540 . 5.280 2.927 2.438 3.648 . 0 0 "[ . 1 . 2 .]" 1
389 1 9 LEU H 1 10 PHE H 2.710 . 3.400 2.742 2.299 3.373 . 0 0 "[ . 1 . 2 .]" 1
390 1 46 ASN H 1 47 ASP H 2.680 . 3.560 2.605 2.398 2.823 . 0 0 "[ . 1 . 2 .]" 1
391 1 6 ASP H 1 7 ASN H 2.730 . 3.660 2.295 1.725 3.708 0.075 12 0 "[ . 1 . 2 .]" 1
392 1 41 GLY H 1 42 GLU H 3.010 . 4.220 2.655 2.242 2.989 . 0 0 "[ . 1 . 2 .]" 1
393 1 5 LYS H 1 6 ASP H 3.080 . 4.360 4.419 4.016 4.584 0.224 13 0 "[ . 1 . 2 .]" 1
394 1 42 GLU H 1 43 SER H 2.820 . 3.840 2.562 2.169 2.987 . 0 0 "[ . 1 . 2 .]" 1
395 1 10 PHE H 1 10 PHE QE 3.390 . 4.980 4.277 3.592 5.096 0.116 23 0 "[ . 1 . 2 .]" 1
396 1 34 LEU H 1 35 LEU H 3.030 . 4.260 2.182 1.869 2.981 . 0 0 "[ . 1 . 2 .]" 1
397 1 45 LEU H 1 47 ASP H 3.230 . 4.380 3.713 3.227 4.017 . 0 0 "[ . 1 . 2 .]" 1
398 1 40 PHE H 1 41 GLY H 3.020 . 4.240 2.598 2.235 3.331 . 0 0 "[ . 1 . 2 .]" 1
399 1 32 ASN H 1 33 GLU H 3.050 . 4.300 2.610 1.727 3.519 0.073 25 0 "[ . 1 . 2 .]" 1
400 1 22 VAL QG 1 26 PHE HZ 3.520 . 5.240 4.059 2.735 4.873 . 0 0 "[ . 1 . 2 .]" 1
401 1 44 LEU HA 1 47 ASP QB 3.250 . 4.700 3.067 2.603 3.972 . 0 0 "[ . 1 . 2 .]" 1
402 1 11 GLY QA 1 12 SER QB 2.900 . 4.000 4.060 4.013 4.098 0.098 18 0 "[ . 1 . 2 .]" 1
403 1 28 GLU HA 1 28 GLU QG 3.100 . 3.800 2.485 2.218 3.296 . 0 0 "[ . 1 . 2 .]" 1
404 1 33 GLU HA 1 33 GLU QG 3.330 . 4.860 2.420 2.125 3.446 . 0 0 "[ . 1 . 2 .]" 1
405 1 15 SER HA 1 15 SER QB 2.560 . 3.320 2.287 2.155 2.531 . 0 0 "[ . 1 . 2 .]" 1
406 1 50 THR HA 1 50 THR HB 2.650 . 3.500 2.837 2.563 3.029 . 0 0 "[ . 1 . 2 .]" 1
407 1 43 SER HA 1 43 SER QB 2.420 . 3.040 2.286 2.155 2.528 . 0 0 "[ . 1 . 2 .]" 1
408 1 38 LEU HA 1 39 VAL HA 3.270 . 4.740 4.760 4.632 4.855 0.115 15 0 "[ . 1 . 2 .]" 1
409 1 25 VAL HA 1 28 GLU QG 3.280 . 4.760 4.233 2.922 4.851 0.091 14 0 "[ . 1 . 2 .]" 1
410 1 24 ALA HA 1 25 VAL HA 3.210 . 4.620 4.659 4.637 4.670 0.050 25 0 "[ . 1 . 2 .]" 1
411 1 19 PRO HA 1 20 VAL HA 3.270 . 4.740 4.771 4.624 4.837 0.097 16 0 "[ . 1 . 2 .]" 1
412 1 27 GLU HA 1 27 GLU QG 2.980 . 4.160 2.266 2.129 2.398 . 0 0 "[ . 1 . 2 .]" 1
413 1 42 GLU HA 1 42 GLU QG 3.100 . 4.400 2.377 2.139 3.307 . 0 0 "[ . 1 . 2 .]" 1
414 1 19 PRO HA 1 22 VAL HA 3.440 . 5.080 5.174 4.997 6.031 0.951 20 2 "[ . 1 . + - .]" 1
415 1 20 VAL HA 1 23 LEU HA 3.450 . 5.100 5.165 5.110 5.277 0.177 15 0 "[ . 1 . 2 .]" 1
416 1 23 LEU HA 1 26 PHE QB 2.920 . 4.040 2.389 2.228 3.048 . 0 0 "[ . 1 . 2 .]" 1
417 1 54 TYR H 1 54 TYR QD 2.950 . 4.100 2.151 1.847 2.702 . 0 0 "[ . 1 . 2 .]" 1
418 1 40 PHE H 1 40 PHE QD 3.180 . 4.560 3.285 2.898 4.135 . 0 0 "[ . 1 . 2 .]" 1
419 1 26 PHE H 1 26 PHE QD 3.000 . 4.200 2.594 2.088 3.212 . 0 0 "[ . 1 . 2 .]" 1
420 1 54 TYR QD 1 55 LYS H 3.340 . 4.540 3.638 2.747 4.035 . 0 0 "[ . 1 . 2 .]" 1
421 1 22 VAL H 1 24 ALA H 3.090 . 4.380 3.866 3.552 4.110 . 0 0 "[ . 1 . 2 .]" 1
422 1 45 LEU H 1 46 ASN QD 3.190 . 4.580 4.280 3.566 4.600 0.020 5 0 "[ . 1 . 2 .]" 1
423 1 25 VAL H 1 26 PHE H 2.690 . 3.580 2.284 2.216 2.399 . 0 0 "[ . 1 . 2 .]" 1
424 1 21 ALA H 1 23 LEU H 3.140 . 4.480 3.731 3.609 3.833 . 0 0 "[ . 1 . 2 .]" 1
425 1 21 ALA H 1 22 VAL H 2.680 . 3.560 2.339 2.236 2.447 . 0 0 "[ . 1 . 2 .]" 1
426 1 40 PHE HA 1 43 SER QB 3.280 . 4.760 2.874 2.279 3.784 . 0 0 "[ . 1 . 2 .]" 1
427 1 40 PHE HA 1 40 PHE QB 2.560 . 3.320 2.180 2.151 2.532 . 0 0 "[ . 1 . 2 .]" 1
428 1 18 ASP HA 1 19 PRO QD 2.730 . 3.660 2.236 2.079 3.509 . 0 0 "[ . 1 . 2 .]" 1
429 1 37 ILE HA 1 40 PHE QD 3.370 . 4.940 2.532 2.253 4.123 . 0 0 "[ . 1 . 2 .]" 1
430 1 15 SER HA 1 16 ALA H 2.600 . 3.400 3.288 3.224 3.384 . 0 0 "[ . 1 . 2 .]" 1
431 1 28 GLU H 1 28 GLU HA 2.910 . 4.020 2.928 2.828 2.960 . 0 0 "[ . 1 . 2 .]" 1
432 1 16 ALA H 1 16 ALA HA 2.610 . 2.980 2.944 2.891 2.963 . 0 0 "[ . 1 . 2 .]" 1
433 1 12 SER HA 1 15 SER H 3.160 . 4.520 4.361 3.933 4.564 0.044 24 0 "[ . 1 . 2 .]" 1
434 1 55 LYS H 1 55 LYS HA 2.520 . 3.000 2.398 2.314 2.908 . 0 0 "[ . 1 . 2 .]" 1
435 1 43 SER HA 1 44 LEU H 2.810 . 3.820 3.466 3.344 3.564 . 0 0 "[ . 1 . 2 .]" 1
436 1 56 LYS HA 1 57 LYS H . . 2.600 2.260 2.144 2.703 0.103 19 0 "[ . 1 . 2 .]" 1
437 1 23 LEU H 1 23 LEU QD 2.710 . 3.620 3.296 2.373 3.720 0.100 25 0 "[ . 1 . 2 .]" 1
438 1 38 LEU H 1 38 LEU QD 2.850 . 3.700 3.750 2.951 3.819 0.119 24 0 "[ . 1 . 2 .]" 1
439 1 52 VAL QG 1 53 LEU H 2.890 . 3.980 2.388 2.118 2.597 . 0 0 "[ . 1 . 2 .]" 1
440 1 39 VAL H 1 39 VAL QG 2.840 . 3.880 1.914 1.685 2.821 0.115 5 0 "[ . 1 . 2 .]" 1
441 1 45 LEU H 1 45 LEU QD 2.880 . 3.960 3.155 2.830 3.310 . 0 0 "[ . 1 . 2 .]" 1
442 1 26 PHE H 1 29 ILE MD 3.560 . 5.320 3.966 3.212 4.797 . 0 0 "[ . 1 . 2 .]" 1
443 1 36 HIS H 1 36 HIS HA 2.920 . 3.700 2.854 2.713 2.932 . 0 0 "[ . 1 . 2 .]" 1
444 1 25 VAL QG 1 26 PHE H 2.870 . 3.940 3.195 3.076 3.341 . 0 0 "[ . 1 . 2 .]" 1
445 1 13 ILE H 1 13 ILE MG 2.740 . 3.680 3.744 3.654 3.784 0.104 10 0 "[ . 1 . 2 .]" 1
446 1 13 ILE H 1 13 ILE MD 2.820 . 3.840 2.938 2.499 3.811 . 0 0 "[ . 1 . 2 .]" 1
447 1 20 VAL H 1 20 VAL HA 2.640 . 3.360 2.852 2.774 2.930 . 0 0 "[ . 1 . 2 .]" 1
448 1 36 HIS H 1 36 HIS QB 2.740 . 3.120 2.483 2.089 2.891 . 0 0 "[ . 1 . 2 .]" 1
449 1 15 SER QB 1 16 ALA H 2.980 . 4.160 3.394 3.080 3.581 . 0 0 "[ . 1 . 2 .]" 1
450 1 51 VAL H 1 51 VAL HA 2.480 . 3.160 2.857 2.818 2.901 . 0 0 "[ . 1 . 2 .]" 1
451 1 49 VAL HA 1 52 VAL H 3.170 . 4.540 4.061 3.794 4.438 . 0 0 "[ . 1 . 2 .]" 1
452 1 54 TYR QB 1 55 LYS H 3.260 . 4.000 3.841 3.476 3.969 . 0 0 "[ . 1 . 2 .]" 1
453 1 28 GLU H 1 28 GLU QG 3.310 . 4.260 3.201 2.422 4.005 . 0 0 "[ . 1 . 2 .]" 1
454 1 54 TYR H 1 54 TYR QB 2.790 . 3.400 2.824 2.629 3.186 . 0 0 "[ . 1 . 2 .]" 1
455 1 24 ALA H 1 24 ALA HA 2.490 . 3.180 2.792 2.748 2.864 . 0 0 "[ . 1 . 2 .]" 1
456 1 35 LEU HA 1 36 HIS H 3.100 . 4.400 3.540 3.458 3.586 . 0 0 "[ . 1 . 2 .]" 1
457 1 53 LEU HA 1 54 TYR H 2.830 . 3.860 3.578 3.547 3.590 . 0 0 "[ . 1 . 2 .]" 1
458 1 14 ILE H 1 14 ILE HA 2.560 . 3.000 2.811 2.788 2.887 . 0 0 "[ . 1 . 2 .]" 1
459 1 15 SER H 1 15 SER QB 2.730 . 3.660 2.198 2.105 2.277 . 0 0 "[ . 1 . 2 .]" 1
460 1 13 ILE HA 1 14 ILE H 2.720 . 3.640 3.567 3.556 3.577 . 0 0 "[ . 1 . 2 .]" 1
461 1 14 ILE HA 1 15 SER H 2.590 . 3.380 3.415 3.318 3.463 0.083 24 0 "[ . 1 . 2 .]" 1
462 1 23 LEU HA 1 24 ALA H 2.880 . 3.960 3.523 3.454 3.549 . 0 0 "[ . 1 . 2 .]" 1
463 1 49 VAL HA 1 50 THR H 3.090 . 3.860 3.484 3.436 3.565 . 0 0 "[ . 1 . 2 .]" 1
464 1 25 VAL HA 1 26 PHE H 2.940 . 4.080 3.542 3.489 3.584 . 0 0 "[ . 1 . 2 .]" 1
465 1 37 ILE HA 1 38 LEU H 3.160 . 4.520 3.479 3.400 3.535 . 0 0 "[ . 1 . 2 .]" 1
466 1 20 VAL HA 1 23 LEU H 2.980 . 3.920 3.234 3.118 3.314 . 0 0 "[ . 1 . 2 .]" 1
467 1 49 VAL HB 1 50 THR H 2.900 . 3.400 2.951 2.515 3.110 . 0 0 "[ . 1 . 2 .]" 1
468 1 27 GLU H 1 27 GLU QB 2.730 . 3.660 2.107 2.024 2.276 . 0 0 "[ . 1 . 2 .]" 1
469 1 27 GLU H 1 27 GLU QG 3.170 . 4.540 3.642 3.289 3.958 . 0 0 "[ . 1 . 2 .]" 1
470 1 36 HIS QB 1 37 ILE H 3.180 . 4.560 3.552 1.833 3.915 . 0 0 "[ . 1 . 2 .]" 1
471 1 46 ASN H 1 46 ASN QB 2.760 . 3.280 2.175 2.056 2.821 . 0 0 "[ . 1 . 2 .]" 1
472 1 11 GLY QA 1 12 SER H 3.070 . 3.520 2.903 2.887 2.920 . 0 0 "[ . 1 . 2 .]" 1
473 1 24 ALA HA 1 27 GLU H 2.910 . 4.020 3.934 3.724 4.062 0.042 7 0 "[ . 1 . 2 .]" 1
474 1 38 LEU H 1 38 LEU HA 2.620 . 3.440 2.928 2.885 2.948 . 0 0 "[ . 1 . 2 .]" 1
475 1 55 LYS HA 1 56 LYS H 2.340 . 2.880 2.791 2.717 3.100 0.220 19 0 "[ . 1 . 2 .]" 1
476 1 52 VAL HA 1 53 LEU H 2.680 . 3.560 3.419 3.364 3.484 . 0 0 "[ . 1 . 2 .]" 1
477 1 13 ILE H 1 13 ILE HA 2.620 . 3.040 2.929 2.853 2.939 . 0 0 "[ . 1 . 2 .]" 1
478 1 12 SER H 1 12 SER QB 2.830 . 2.840 2.529 2.400 2.566 . 0 0 "[ . 1 . 2 .]" 1
479 1 23 LEU H 1 23 LEU HA 2.500 . 3.200 2.865 2.802 2.904 . 0 0 "[ . 1 . 2 .]" 1
480 1 21 ALA MB 1 23 LEU H 3.360 . 4.420 4.444 4.328 4.515 0.095 15 0 "[ . 1 . 2 .]" 1
481 1 56 LYS H 1 56 LYS QG 3.150 . 3.340 2.964 1.798 3.612 0.272 25 0 "[ . 1 . 2 .]" 1
482 1 37 ILE H 1 37 ILE QG 3.260 . 4.720 3.774 2.300 4.032 . 0 0 "[ . 1 . 2 .]" 1
483 1 13 ILE H 1 13 ILE QG 3.060 . 3.620 2.571 2.015 2.919 . 0 0 "[ . 1 . 2 .]" 1
484 1 53 LEU H 1 53 LEU HG 3.010 . 4.220 4.310 4.279 4.365 0.145 2 0 "[ . 1 . 2 .]" 1
485 1 50 THR HG1 1 53 LEU H 3.200 . 4.600 4.473 4.205 4.663 0.063 2 0 "[ . 1 . 2 .]" 1
486 1 50 THR H 1 50 THR HG1 2.970 . 3.920 2.518 1.864 3.302 . 0 0 "[ . 1 . 2 .]" 1
487 1 44 LEU HG 1 45 LEU H 3.320 . 4.840 3.620 1.981 5.020 0.180 24 0 "[ . 1 . 2 .]" 1
488 1 56 LYS H 1 56 LYS QB . . 2.800 3.118 2.784 3.329 0.529 2 2 "[ + . 1 . 2 -]" 1
489 1 55 LYS QB 1 56 LYS H 3.010 . 4.220 3.950 3.561 4.070 . 0 0 "[ . 1 . 2 .]" 1
490 1 13 ILE H 1 13 ILE HB 2.640 . 3.040 2.461 2.289 2.599 . 0 0 "[ . 1 . 2 .]" 1
491 1 25 VAL HB 1 26 PHE H 2.630 . 3.460 2.579 2.328 2.916 . 0 0 "[ . 1 . 2 .]" 1
492 1 22 VAL HB 1 23 LEU H 2.590 . 3.380 2.863 2.623 3.184 . 0 0 "[ . 1 . 2 .]" 1
493 1 38 LEU H 1 38 LEU QB 2.660 . 3.440 2.301 2.096 2.381 . 0 0 "[ . 1 . 2 .]" 1
494 1 38 LEU H 1 38 LEU HG 3.050 . 4.300 4.332 3.993 4.433 0.133 6 0 "[ . 1 . 2 .]" 1
495 1 53 LEU H 1 53 LEU QB 2.480 . 3.100 2.215 2.197 2.265 . 0 0 "[ . 1 . 2 .]" 1
496 1 45 LEU H 1 45 LEU HG 2.880 . 3.960 2.448 1.899 2.785 . 0 0 "[ . 1 . 2 .]" 1
497 1 45 LEU HG 1 46 ASN H 3.040 . 4.280 2.682 2.018 4.243 . 0 0 "[ . 1 . 2 .]" 1
498 1 22 VAL H 1 22 VAL HA 2.720 . 3.640 2.912 2.885 2.928 . 0 0 "[ . 1 . 2 .]" 1
499 1 22 VAL HA 1 25 VAL H 3.040 . 4.280 3.773 3.305 4.047 . 0 0 "[ . 1 . 2 .]" 1
500 1 20 VAL HA 1 21 ALA H 2.950 . 4.100 3.502 3.440 3.533 . 0 0 "[ . 1 . 2 .]" 1
501 1 21 ALA H 1 22 VAL HB 3.200 . 4.600 4.611 4.392 4.728 0.128 13 0 "[ . 1 . 2 .]" 1
502 1 17 VAL H 1 17 VAL HB 2.600 . 3.200 2.767 2.402 3.280 0.080 23 0 "[ . 1 . 2 .]" 1
503 1 25 VAL H 1 25 VAL HB 2.600 . 3.400 2.672 2.373 2.832 . 0 0 "[ . 1 . 2 .]" 1
504 1 20 VAL HB 1 21 ALA H 2.730 . 3.580 2.760 2.633 2.896 . 0 0 "[ . 1 . 2 .]" 1
505 1 19 PRO QG 1 22 VAL H 3.610 . 5.420 5.474 5.240 5.538 0.118 15 0 "[ . 1 . 2 .]" 1
506 1 22 VAL H 1 22 VAL HB 2.700 . 3.380 2.497 2.380 2.698 . 0 0 "[ . 1 . 2 .]" 1
507 1 19 PRO HA 1 21 ALA H 3.090 . 4.380 4.213 3.947 4.507 0.127 23 0 "[ . 1 . 2 .]" 1
508 1 21 ALA H 1 22 VAL QG 3.530 . 5.260 3.755 3.254 4.124 . 0 0 "[ . 1 . 2 .]" 1
509 1 17 VAL QG 1 22 VAL H 3.480 . 5.160 4.133 3.363 4.845 . 0 0 "[ . 1 . 2 .]" 1
510 1 23 LEU HA 1 26 PHE QD 2.990 . 4.180 3.050 2.327 3.743 . 0 0 "[ . 1 . 2 .]" 1
511 1 26 PHE HA 1 26 PHE QD 2.700 . 3.600 2.405 2.249 2.976 . 0 0 "[ . 1 . 2 .]" 1
512 1 40 PHE HA 1 40 PHE QD 2.820 . 3.840 3.194 2.322 3.456 . 0 0 "[ . 1 . 2 .]" 1
513 1 22 VAL H 1 24 ALA MB 3.440 . 5.080 4.602 4.381 4.773 . 0 0 "[ . 1 . 2 .]" 1
514 1 21 ALA H 1 24 ALA MB 3.320 . 4.840 4.703 4.372 5.036 0.196 18 0 "[ . 1 . 2 .]" 1
515 1 55 LYS H 1 55 LYS QD 3.400 . 4.240 3.746 2.343 4.407 0.167 15 0 "[ . 1 . 2 .]" 1
516 1 57 LYS H 1 57 LYS QB . . 3.060 2.892 2.063 3.414 0.354 3 0 "[ . 1 . 2 .]" 1
517 1 35 LEU QB 1 36 HIS H 3.170 . 4.220 2.723 1.796 3.509 0.004 22 0 "[ . 1 . 2 .]" 1
518 1 56 LYS QG 1 57 LYS H 3.450 . 5.100 4.335 3.875 4.867 . 0 0 "[ . 1 . 2 .]" 1
519 1 44 LEU H 1 44 LEU HG 2.730 . 3.660 3.051 1.883 3.812 0.152 1 0 "[ . 1 . 2 .]" 1
520 1 20 VAL H 1 21 ALA MB 3.090 . 4.380 4.163 3.774 4.387 0.007 8 0 "[ . 1 . 2 .]" 1
521 1 45 LEU H 1 45 LEU QB 2.440 . 3.080 2.417 2.296 2.549 . 0 0 "[ . 1 . 2 .]" 1
522 1 52 VAL H 1 52 VAL HB 2.600 . 3.220 2.277 2.125 2.410 . 0 0 "[ . 1 . 2 .]" 1
523 1 28 GLU H 1 28 GLU QB 2.650 . 3.500 2.695 2.421 3.379 . 0 0 "[ . 1 . 2 .]" 1
524 1 51 VAL HB 1 52 VAL H 2.760 . 3.720 3.055 2.083 3.819 0.099 10 0 "[ . 1 . 2 .]" 1
525 1 33 GLU H 1 33 GLU QB 3.050 . 4.300 2.596 2.063 3.521 . 0 0 "[ . 1 . 2 .]" 1
526 1 35 LEU HG 1 36 HIS H 2.930 . 3.840 2.917 1.777 4.078 0.238 22 0 "[ . 1 . 2 .]" 1
527 1 55 LYS H 1 55 LYS QB 2.620 . 2.820 2.714 2.133 2.935 0.115 18 0 "[ . 1 . 2 .]" 1
528 1 14 ILE H 1 14 ILE HB 2.650 . 3.240 2.527 2.454 2.575 . 0 0 "[ . 1 . 2 .]" 1
529 1 19 PRO QB 1 20 VAL H 3.130 . 3.620 2.854 2.230 3.501 . 0 0 "[ . 1 . 2 .]" 1
530 1 13 ILE HB 1 14 ILE H 2.800 . 3.800 2.091 1.853 2.285 . 0 0 "[ . 1 . 2 .]" 1
531 1 15 SER H 1 16 ALA MB 3.270 . 4.740 3.990 3.876 4.131 . 0 0 "[ . 1 . 2 .]" 1
532 1 52 VAL H 1 52 VAL QG 2.870 . 3.420 2.566 2.417 2.729 . 0 0 "[ . 1 . 2 .]" 1
533 1 15 SER H 1 17 VAL QG 3.390 . 4.980 4.465 3.896 5.423 0.443 15 0 "[ . 1 . 2 .]" 1
534 1 20 VAL H 1 20 VAL QG 2.740 . 3.300 1.837 1.783 2.179 0.017 16 0 "[ . 1 . 2 .]" 1
535 1 34 LEU H 1 34 LEU QD 3.020 . 4.080 2.271 1.841 3.237 . 0 0 "[ . 1 . 2 .]" 1
536 1 31 ILE MG 1 33 GLU H 3.270 . 4.740 4.115 1.779 5.078 0.338 17 0 "[ . 1 . 2 .]" 1
537 1 51 VAL H 1 51 VAL QG 2.670 . 3.240 2.275 1.799 2.609 0.001 24 0 "[ . 1 . 2 .]" 1
538 1 53 LEU QD 1 54 TYR H 3.210 . 4.620 3.206 2.443 3.651 . 0 0 "[ . 1 . 2 .]" 1
539 1 13 ILE MD 1 14 ILE H 3.190 . 4.580 4.010 3.658 4.384 . 0 0 "[ . 1 . 2 .]" 1
540 1 52 VAL QG 1 54 TYR H 3.180 . 4.560 4.591 4.342 4.715 0.155 2 0 "[ . 1 . 2 .]" 1
541 1 21 ALA MB 1 24 ALA H 3.230 . 4.660 4.736 4.666 4.833 0.173 24 0 "[ . 1 . 2 .]" 1
542 1 51 VAL QG 1 52 VAL H 2.940 . 4.080 2.598 1.790 3.424 0.010 7 0 "[ . 1 . 2 .]" 1
543 1 14 ILE H 1 14 ILE QG 2.950 . 3.680 2.004 1.907 2.138 . 0 0 "[ . 1 . 2 .]" 1
544 1 55 LYS H 1 55 LYS QG 2.960 . 3.540 3.153 2.597 3.725 0.185 5 0 "[ . 1 . 2 .]" 1
545 1 50 THR HG1 1 52 VAL H 3.590 . 5.380 4.532 3.868 5.170 . 0 0 "[ . 1 . 2 .]" 1
546 1 53 LEU HG 1 54 TYR H 3.190 . 3.980 3.096 2.584 4.009 0.029 18 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 54
_Distance_constraint_stats_list.Viol_count 74
_Distance_constraint_stats_list.Viol_total 219.081
_Distance_constraint_stats_list.Viol_max 1.125
_Distance_constraint_stats_list.Viol_rms 0.0535
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.1184
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 LEU 0.186 0.105 1 0 "[ . 1 . 2 .]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 ILE 0.186 0.105 1 0 "[ . 1 . 2 .]"
1 14 ILE 0.186 0.105 1 0 "[ . 1 . 2 .]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 LEU 3.110 0.352 1 0 "[ . 1 . 2 .]"
1 24 ALA 1.011 0.142 6 0 "[ . 1 . 2 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 PHE 0.688 0.109 5 0 "[ . 1 . 2 .]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 ILE 1.257 0.172 17 0 "[ . 1 . 2 .]"
1 31 ILE 0.930 0.352 1 0 "[ . 1 . 2 .]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 HIS 5.187 1.125 17 3 "[ * 1 . +- 2 .]"
1 37 ILE 0.867 0.172 17 0 "[ . 1 . 2 .]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 VAL 4.132 1.125 17 3 "[ * 1 . +- 2 .]"
1 40 PHE 1.010 0.376 1 0 "[ . 1 . 2 .]"
1 44 LEU 0.559 0.376 1 0 "[ . 1 . 2 .]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ASN 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 ALA 0.186 0.105 1 0 "[ . 1 . 2 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 LEU 0.186 0.105 1 0 "[ . 1 . 2 .]"
1 54 TYR 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 36 HIS HD2 1 37 ILE MD 3.860 . 5.280 3.892 2.216 4.611 . 0 0 "[ . 1 . 2 .]" 2
2 1 23 LEU QD 1 26 PHE QB 3.840 . 5.640 2.210 2.000 2.402 . 0 0 "[ . 1 . 2 .]" 2
3 1 9 LEU QB 1 13 ILE MD 3.080 . 4.360 3.220 2.030 4.465 0.105 1 0 "[ . 1 . 2 .]" 2
4 1 17 VAL HA 1 22 VAL HB 3.490 . 5.180 2.454 2.313 3.350 . 0 0 "[ . 1 . 2 .]" 2
5 1 17 VAL HA 1 22 VAL QG 3.450 . 5.100 2.706 2.193 3.610 . 0 0 "[ . 1 . 2 .]" 2
6 1 23 LEU HA 1 25 VAL HB 4.150 . 6.500 4.361 3.921 4.544 . 0 0 "[ . 1 . 2 .]" 2
7 1 4 LYS QD 1 8 LEU QB 3.110 . 4.420 2.440 2.029 2.985 . 0 0 "[ . 1 . 2 .]" 2
8 1 21 ALA MB 1 23 LEU QB 4.080 . 6.360 5.357 5.168 5.513 . 0 0 "[ . 1 . 2 .]" 2
9 1 24 ALA MB 1 27 GLU QB 4.110 . 4.640 4.077 3.763 4.165 . 0 0 "[ . 1 . 2 .]" 2
10 1 23 LEU QD 1 36 HIS HE1 4.920 . 8.040 5.795 3.510 8.392 0.352 1 0 "[ . 1 . 2 .]" 2
11 1 25 VAL HB 1 26 PHE QD 4.040 . 6.280 3.277 2.623 4.245 . 0 0 "[ . 1 . 2 .]" 2
12 1 23 LEU QD 1 26 PHE QE 4.020 . 4.840 3.936 3.228 4.583 . 0 0 "[ . 1 . 2 .]" 2
13 1 10 PHE QD 1 14 ILE HB 4.900 . 6.680 3.844 3.469 4.077 . 0 0 "[ . 1 . 2 .]" 2
14 1 23 LEU QD 1 27 GLU QG 4.380 . 6.960 4.270 2.920 4.848 . 0 0 "[ . 1 . 2 .]" 2
15 1 20 VAL HB 1 21 ALA HA 4.000 . 6.200 4.027 3.919 4.081 . 0 0 "[ . 1 . 2 .]" 2
16 1 48 ALA MB 1 49 VAL QG 3.790 . 4.140 3.070 2.807 3.270 . 0 0 "[ . 1 . 2 .]" 2
17 1 20 VAL QG 1 24 ALA MB 3.740 . 3.920 2.800 2.469 2.965 . 0 0 "[ . 1 . 2 .]" 2
18 1 23 LEU QD 1 26 PHE QB 3.810 . 5.660 2.225 2.007 2.425 . 0 0 "[ . 1 . 2 .]" 2
19 1 34 LEU QD 1 36 HIS HE1 4.900 . 8.000 5.713 2.251 6.605 . 0 0 "[ . 1 . 2 .]" 2
20 1 26 PHE QE 1 36 HIS HD2 4.730 . 7.660 6.409 2.336 7.769 0.109 5 0 "[ . 1 . 2 .]" 2
21 1 31 ILE QG 1 34 LEU QD 4.110 . 6.420 4.407 2.542 6.116 . 0 0 "[ . 1 . 2 .]" 2
22 1 36 HIS QB 1 37 ILE MD 4.190 . 6.580 3.396 2.188 4.193 . 0 0 "[ . 1 . 2 .]" 2
23 1 27 GLU QB 1 29 ILE MG 3.800 . 5.800 3.255 2.179 5.403 . 0 0 "[ . 1 . 2 .]" 2
24 1 24 ALA MB 1 27 GLU QG 4.580 . 7.360 4.801 4.345 5.379 . 0 0 "[ . 1 . 2 .]" 2
25 1 23 LEU QB 1 26 PHE QE 4.430 . 7.060 5.461 4.622 5.999 . 0 0 "[ . 1 . 2 .]" 2
26 1 20 VAL QG 1 23 LEU QB 3.730 . 4.140 3.324 3.224 3.449 . 0 0 "[ . 1 . 2 .]" 2
27 1 23 LEU QB 1 26 PHE QB 4.200 . 6.600 3.432 2.705 3.925 . 0 0 "[ . 1 . 2 .]" 2
28 1 9 LEU QD 1 10 PHE QB 4.470 . 7.140 3.999 2.950 4.466 . 0 0 "[ . 1 . 2 .]" 2
29 1 46 ASN QD 1 50 THR HG1 4.000 . 5.220 2.339 1.851 2.961 . 0 0 "[ . 1 . 2 .]" 2
30 1 23 LEU QB 1 24 ALA MB 3.690 . 3.850 3.876 3.713 3.992 0.142 6 0 "[ . 1 . 2 .]" 2
31 1 23 LEU QB 1 29 ILE MD 4.180 . 6.560 6.503 5.849 6.685 0.125 14 0 "[ . 1 . 2 .]" 2
32 1 22 VAL QG 1 23 LEU QB 3.900 . 6.000 3.998 3.483 4.274 . 0 0 "[ . 1 . 2 .]" 2
33 1 23 LEU QB 1 26 PHE QD 4.150 . 4.620 4.246 3.279 4.701 0.081 14 0 "[ . 1 . 2 .]" 2
34 1 23 LEU QD 1 26 PHE QD 3.470 . 5.140 2.894 2.255 3.314 . 0 0 "[ . 1 . 2 .]" 2
35 1 25 VAL QG 1 26 PHE QB 4.570 . 7.340 3.685 2.725 4.071 . 0 0 "[ . 1 . 2 .]" 2
36 1 40 PHE QE 1 44 LEU QD . . 3.160 2.707 2.051 3.536 0.376 1 0 "[ . 1 . 2 .]" 2
37 1 8 LEU QD 1 10 PHE HZ 4.360 . 6.920 3.949 2.376 4.898 . 0 0 "[ . 1 . 2 .]" 2
38 1 36 HIS HD2 1 37 ILE HB 4.200 . 6.600 3.966 2.328 5.711 . 0 0 "[ . 1 . 2 .]" 2
39 1 36 HIS HD2 1 39 VAL HB 4.380 . 6.960 6.407 3.756 8.085 1.125 17 3 "[ * 1 . +- 2 .]" 2
40 1 34 LEU QD 1 36 HIS HD2 4.600 . 6.020 3.794 2.950 4.243 . 0 0 "[ . 1 . 2 .]" 2
41 1 40 PHE QD 1 44 LEU QD 3.830 . 5.860 3.350 2.405 4.311 . 0 0 "[ . 1 . 2 .]" 2
42 1 23 LEU QD 1 26 PHE HA 3.740 . 5.680 4.612 4.274 4.824 . 0 0 "[ . 1 . 2 .]" 2
43 1 51 VAL HA 1 54 TYR QE 4.540 . 7.280 3.316 2.420 4.719 . 0 0 "[ . 1 . 2 .]" 2
44 1 23 LEU QD 1 29 ILE MD 3.650 . 5.500 4.966 2.555 5.672 0.172 17 0 "[ . 1 . 2 .]" 2
45 1 31 ILE MD 1 31 ILE MG 2.750 . 3.700 1.969 1.695 2.883 0.105 3 0 "[ . 1 . 2 .]" 2
46 1 36 HIS HE1 1 37 ILE MD 4.830 . 7.860 5.473 3.585 6.749 . 0 0 "[ . 1 . 2 .]" 2
47 1 25 VAL QG 1 27 GLU QG 4.790 . 7.780 4.309 3.241 4.753 . 0 0 "[ . 1 . 2 .]" 2
48 1 34 LEU QD 1 36 HIS QB 4.730 . 7.660 3.525 2.213 5.183 . 0 0 "[ . 1 . 2 .]" 2
49 1 25 VAL HB 1 26 PHE QE 4.560 . 7.320 4.533 4.120 5.269 . 0 0 "[ . 1 . 2 .]" 2
50 1 26 PHE QD 1 27 GLU QG 4.810 . 7.820 6.041 5.696 6.398 . 0 0 "[ . 1 . 2 .]" 2
51 1 45 LEU QD 1 49 VAL QG 3.490 . 5.180 2.382 2.042 3.116 . 0 0 "[ . 1 . 2 .]" 2
52 1 17 VAL QG 1 20 VAL HA 3.660 . 5.520 3.441 2.418 3.947 . 0 0 "[ . 1 . 2 .]" 2
53 1 17 VAL QG 1 22 VAL HA 4.250 . 5.220 4.082 3.551 4.831 . 0 0 "[ . 1 . 2 .]" 2
54 1 20 VAL HA 1 23 LEU QB . . 3.320 2.388 2.287 2.600 . 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 169
_Distance_constraint_stats_list.Viol_count 505
_Distance_constraint_stats_list.Viol_total 1087.197
_Distance_constraint_stats_list.Viol_max 0.657
_Distance_constraint_stats_list.Viol_rms 0.0458
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0103
_Distance_constraint_stats_list.Viol_average_violations_only 0.0861
_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 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 4 LYS 0.535 0.147 12 0 "[ . 1 . 2 .]"
1 5 LYS 0.825 0.147 12 0 "[ . 1 . 2 .]"
1 6 ASP 0.690 0.147 12 0 "[ . 1 . 2 .]"
1 7 ASN 2.121 0.331 7 0 "[ . 1 . 2 .]"
1 8 LEU 2.466 0.331 7 0 "[ . 1 . 2 .]"
1 9 LEU 0.426 0.092 8 0 "[ . 1 . 2 .]"
1 10 PHE 1.524 0.198 15 0 "[ . 1 . 2 .]"
1 11 GLY 0.213 0.133 6 0 "[ . 1 . 2 .]"
1 12 SER 3.142 0.331 7 0 "[ . 1 . 2 .]"
1 13 ILE 1.285 0.198 15 0 "[ . 1 . 2 .]"
1 14 ILE 0.731 0.047 25 0 "[ . 1 . 2 .]"
1 15 SER 2.061 0.210 24 0 "[ . 1 . 2 .]"
1 16 ALA 0.837 0.198 20 0 "[ . 1 . 2 .]"
1 17 VAL 5.486 0.222 2 0 "[ . 1 . 2 .]"
1 18 ASP 1.120 0.222 2 0 "[ . 1 . 2 .]"
1 19 PRO 3.468 0.222 2 0 "[ . 1 . 2 .]"
1 20 VAL 0.071 0.064 19 0 "[ . 1 . 2 .]"
1 21 ALA 0.009 0.007 9 0 "[ . 1 . 2 .]"
1 22 VAL 2.784 0.274 24 0 "[ . 1 . 2 .]"
1 23 LEU 4.331 0.179 24 0 "[ . 1 . 2 .]"
1 24 ALA 1.333 0.125 24 0 "[ . 1 . 2 .]"
1 25 VAL 0.071 0.064 19 0 "[ . 1 . 2 .]"
1 26 PHE 2.998 0.129 14 0 "[ . 1 . 2 .]"
1 27 GLU 3.153 0.129 14 0 "[ . 1 . 2 .]"
1 28 GLU 0.704 0.331 25 0 "[ . 1 . 2 .]"
1 29 ILE 2.087 0.331 25 0 "[ . 1 . 2 .]"
1 31 ILE 1.293 0.257 22 0 "[ . 1 . 2 .]"
1 32 ASN 0.420 0.197 4 0 "[ . 1 . 2 .]"
1 33 GLU 2.462 0.303 17 0 "[ . 1 . 2 .]"
1 34 LEU 2.328 0.303 17 0 "[ . 1 . 2 .]"
1 35 LEU 3.951 0.331 25 0 "[ . 1 . 2 .]"
1 36 HIS 2.150 0.303 17 0 "[ . 1 . 2 .]"
1 37 ILE 3.043 0.331 25 0 "[ . 1 . 2 .]"
1 38 LEU 0.616 0.047 25 0 "[ . 1 . 2 .]"
1 39 VAL 2.016 0.245 5 0 "[ . 1 . 2 .]"
1 40 PHE 2.470 0.274 24 0 "[ . 1 . 2 .]"
1 41 GLY 0.003 0.003 20 0 "[ . 1 . 2 .]"
1 42 GLU 8.785 0.626 4 3 "[ +. 1 . * - .]"
1 43 SER 6.693 0.626 4 3 "[ +. 1 . * - .]"
1 44 LEU 1.026 0.290 2 0 "[ . 1 . 2 .]"
1 45 LEU 8.923 0.657 12 8 "[ * . 1 +* - * 2* * *]"
1 46 ASN 5.144 0.657 12 8 "[ * . 1 +* - * 2* * *]"
1 47 ASP 1.608 0.121 2 0 "[ . 1 . 2 .]"
1 48 ALA 2.870 0.125 24 0 "[ . 1 . 2 .]"
1 49 VAL 0.164 0.048 24 0 "[ . 1 . 2 .]"
1 50 THR 3.050 0.125 24 0 "[ . 1 . 2 .]"
1 51 VAL 3.175 0.245 5 0 "[ . 1 . 2 .]"
1 52 VAL 1.021 0.126 25 0 "[ . 1 . 2 .]"
1 53 LEU 3.743 0.139 6 0 "[ . 1 . 2 .]"
1 54 TYR 1.788 0.111 10 0 "[ . 1 . 2 .]"
1 55 LYS 0.020 0.020 19 0 "[ . 1 . 2 .]"
1 56 LYS 0.747 0.245 5 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 23 LEU QD 1 27 GLU QG 3.370 . 4.940 3.360 2.270 4.635 . 0 0 "[ . 1 . 2 .]" 3
2 1 8 LEU QD 1 10 PHE HZ 3.600 . 5.400 3.894 2.375 4.738 . 0 0 "[ . 1 . 2 .]" 3
3 1 9 LEU QD 1 10 PHE QR 3.040 . 4.280 2.761 1.950 3.639 . 0 0 "[ . 1 . 2 .]" 3
4 1 33 GLU H 1 34 LEU QD 3.070 . 4.340 2.567 1.719 3.367 0.081 8 0 "[ . 1 . 2 .]" 3
5 1 13 ILE MG 1 16 ALA H 3.140 . 4.480 3.711 3.601 3.898 . 0 0 "[ . 1 . 2 .]" 3
6 1 23 LEU QD 1 26 PHE QD 2.940 . 4.080 2.887 2.255 3.314 . 0 0 "[ . 1 . 2 .]" 3
7 1 19 PRO QG 1 23 LEU QB 3.540 . 5.280 5.328 5.105 5.459 0.179 24 0 "[ . 1 . 2 .]" 3
8 1 22 VAL QG 1 23 LEU QB 2.950 . 4.100 3.993 3.482 4.224 0.124 19 0 "[ . 1 . 2 .]" 3
9 1 17 VAL HA 1 22 VAL QG 2.510 . 3.220 2.530 2.154 3.053 . 0 0 "[ . 1 . 2 .]" 3
10 1 10 PHE HA 1 13 ILE MG 3.020 . 4.240 2.723 2.246 3.939 . 0 0 "[ . 1 . 2 .]" 3
11 1 17 VAL HA 1 17 VAL QG 2.280 . 2.760 1.964 1.802 2.189 . 0 0 "[ . 1 . 2 .]" 3
12 1 31 ILE MG 1 33 GLU H 3.250 . 4.700 3.435 1.778 4.100 0.022 19 0 "[ . 1 . 2 .]" 3
13 1 17 VAL HA 1 18 ASP H 2.320 . 2.820 2.305 2.090 3.023 0.203 19 0 "[ . 1 . 2 .]" 3
14 1 22 VAL QG 1 25 VAL H 3.570 . 5.300 4.254 3.794 4.533 . 0 0 "[ . 1 . 2 .]" 3
15 1 17 VAL QG 1 22 VAL H 3.370 . 4.940 4.128 3.362 4.843 . 0 0 "[ . 1 . 2 .]" 3
16 1 29 ILE QG 1 32 ASN HA 3.270 . 4.740 4.181 2.092 4.937 0.197 4 0 "[ . 1 . 2 .]" 3
17 1 13 ILE MG 1 17 VAL H 3.470 . 5.140 3.893 3.812 4.024 . 0 0 "[ . 1 . 2 .]" 3
18 1 20 VAL QG 1 21 ALA H 2.870 . 3.940 3.213 3.100 3.333 . 0 0 "[ . 1 . 2 .]" 3
19 1 51 VAL QG 1 52 VAL H 2.570 . 3.340 2.213 1.760 2.509 0.040 7 0 "[ . 1 . 2 .]" 3
20 1 20 VAL QG 1 22 VAL H 3.250 . 4.700 3.827 3.715 4.203 . 0 0 "[ . 1 . 2 .]" 3
21 1 51 VAL QG 1 55 LYS H 3.550 . 5.300 3.620 3.412 3.898 . 0 0 "[ . 1 . 2 .]" 3
22 1 22 VAL QG 1 23 LEU H 2.530 . 3.260 2.903 2.327 3.151 . 0 0 "[ . 1 . 2 .]" 3
23 1 17 VAL QG 1 22 VAL H 3.460 . 5.120 3.829 3.286 4.383 . 0 0 "[ . 1 . 2 .]" 3
24 1 37 ILE MD 1 40 PHE QB 3.190 . 4.580 3.877 2.741 4.398 . 0 0 "[ . 1 . 2 .]" 3
25 1 17 VAL QG 1 40 PHE QD 3.420 . 5.040 5.007 4.170 5.222 0.182 13 0 "[ . 1 . 2 .]" 3
26 1 22 VAL QG 1 40 PHE QD 3.590 . 5.160 4.622 4.061 4.868 . 0 0 "[ . 1 . 2 .]" 3
27 1 39 VAL HA 1 42 GLU H 2.770 . 3.740 2.655 2.538 2.763 . 0 0 "[ . 1 . 2 .]" 3
28 1 50 THR HG1 1 51 VAL H 2.840 . 3.880 2.658 1.756 3.440 0.044 17 0 "[ . 1 . 2 .]" 3
29 1 10 PHE HA 1 13 ILE HB 3.110 . 4.420 3.551 2.815 3.971 . 0 0 "[ . 1 . 2 .]" 3
30 1 10 PHE HA 1 10 PHE QR 2.730 . 3.660 2.808 2.282 3.097 . 0 0 "[ . 1 . 2 .]" 3
31 1 50 THR HG1 1 52 VAL H 3.660 . 5.520 4.459 3.841 5.042 . 0 0 "[ . 1 . 2 .]" 3
32 1 17 VAL QG 1 18 ASP HA 3.640 . 5.480 4.021 3.058 4.885 . 0 0 "[ . 1 . 2 .]" 3
33 1 14 ILE QG 1 15 SER H 2.950 . 4.100 3.579 3.520 3.661 . 0 0 "[ . 1 . 2 .]" 3
34 1 8 LEU H 1 8 LEU QD 2.770 . 3.640 2.410 1.747 3.083 0.053 22 0 "[ . 1 . 2 .]" 3
35 1 8 LEU QD 1 9 LEU H 2.880 . 3.780 2.551 1.708 3.529 0.092 8 0 "[ . 1 . 2 .]" 3
36 1 13 ILE MG 1 15 SER H 2.860 . 3.920 3.590 3.479 3.749 . 0 0 "[ . 1 . 2 .]" 3
37 1 44 LEU H 1 44 LEU QD 2.770 . 3.740 3.287 2.012 3.699 . 0 0 "[ . 1 . 2 .]" 3
38 1 14 ILE HB 1 14 ILE MG 2.320 . 2.660 1.777 1.753 1.829 0.047 25 0 "[ . 1 . 2 .]" 3
39 1 13 ILE H 1 13 ILE MG 2.580 . 3.360 3.039 2.348 3.339 . 0 0 "[ . 1 . 2 .]" 3
40 1 29 ILE QG 1 29 ILE MG 2.220 . 2.640 1.772 1.663 1.850 0.137 11 0 "[ . 1 . 2 .]" 3
41 1 20 VAL QG 1 21 ALA HA 3.070 . 4.340 3.616 3.367 3.772 . 0 0 "[ . 1 . 2 .]" 3
42 1 22 VAL QG 1 40 PHE QE 3.640 . 5.480 5.344 4.828 5.754 0.274 24 0 "[ . 1 . 2 .]" 3
43 1 3 LYS HA 1 3 LYS QG 3.300 . 4.800 2.534 2.145 3.347 . 0 0 "[ . 1 . 2 .]" 3
44 1 4 LYS HA 1 4 LYS QG 2.730 . 3.660 2.408 1.957 2.977 . 0 0 "[ . 1 . 2 .]" 3
45 1 26 PHE HA 1 31 ILE MG 3.200 . 4.600 3.042 2.178 4.620 0.020 19 0 "[ . 1 . 2 .]" 3
46 1 41 GLY H 1 44 LEU QD 3.530 . 5.260 4.513 3.915 4.899 . 0 0 "[ . 1 . 2 .]" 3
47 1 9 LEU QB 1 9 LEU QD 2.590 . 3.380 1.833 1.763 1.939 0.037 9 0 "[ . 1 . 2 .]" 3
48 1 22 VAL H 1 23 LEU QB 3.140 . 4.320 3.940 3.792 4.086 . 0 0 "[ . 1 . 2 .]" 3
49 1 44 LEU HA 1 44 LEU QD 2.450 . 3.100 2.500 1.978 3.390 0.290 2 0 "[ . 1 . 2 .]" 3
50 1 9 LEU HA 1 9 LEU QD 2.500 . 2.800 2.051 1.850 2.624 . 0 0 "[ . 1 . 2 .]" 3
51 1 3 LYS H 1 4 LYS H 3.160 . 4.520 3.795 2.617 4.443 . 0 0 "[ . 1 . 2 .]" 3
52 1 45 LEU QD 1 46 ASN HA 3.090 . 4.380 3.159 2.270 5.037 0.657 12 8 "[ * . 1 +* - * 2* * *]" 3
53 1 45 LEU QB 1 47 ASP H 2.990 . 4.180 4.093 3.643 4.301 0.121 2 0 "[ . 1 . 2 .]" 3
54 1 4 LYS QB 1 6 ASP H 2.820 . 3.320 2.537 1.865 3.467 0.147 12 0 "[ . 1 . 2 .]" 3
55 1 49 VAL QG 1 53 LEU H 2.940 . 4.080 3.801 3.543 4.027 . 0 0 "[ . 1 . 2 .]" 3
56 1 8 LEU H 1 8 LEU HG 2.530 . 3.260 2.548 1.868 2.976 . 0 0 "[ . 1 . 2 .]" 3
57 1 49 VAL QG 1 50 THR HA 3.150 . 4.020 3.286 3.044 3.541 . 0 0 "[ . 1 . 2 .]" 3
58 1 20 VAL QG 1 23 LEU HA 3.270 . 4.740 4.227 3.958 4.619 . 0 0 "[ . 1 . 2 .]" 3
59 1 19 PRO QG 1 22 VAL H 3.080 . 4.360 3.681 1.951 4.393 0.033 4 0 "[ . 1 . 2 .]" 3
60 1 28 GLU H 1 28 GLU QB 2.340 . 2.880 2.234 2.064 2.464 . 0 0 "[ . 1 . 2 .]" 3
61 1 28 GLU H 1 28 GLU QB 2.570 . 3.340 2.673 2.411 3.296 . 0 0 "[ . 1 . 2 .]" 3
62 1 33 GLU H 1 35 LEU H 2.870 . 3.940 2.442 2.113 2.742 . 0 0 "[ . 1 . 2 .]" 3
63 1 5 LYS H 1 6 ASP H 2.660 . 3.520 2.268 1.723 3.525 0.077 12 0 "[ . 1 . 2 .]" 3
64 1 51 VAL HA 1 51 VAL QG 2.370 . 2.940 1.902 1.863 1.965 . 0 0 "[ . 1 . 2 .]" 3
65 1 10 PHE HA 1 14 ILE H 3.260 . 4.400 2.664 2.220 3.062 . 0 0 "[ . 1 . 2 .]" 3
66 1 5 LYS QD 1 6 ASP H 3.260 . 4.720 3.048 1.773 4.525 0.027 21 0 "[ . 1 . 2 .]" 3
67 1 13 ILE HA 1 13 ILE MD 2.450 . 3.100 2.199 1.915 2.438 . 0 0 "[ . 1 . 2 .]" 3
68 1 23 LEU QB 1 24 ALA H 2.550 . 3.300 2.654 2.553 2.861 . 0 0 "[ . 1 . 2 .]" 3
69 1 42 GLU HA 1 42 GLU QB 2.520 . 3.240 2.401 2.189 2.540 . 0 0 "[ . 1 . 2 .]" 3
70 1 28 GLU H 1 29 ILE QG 2.580 . 3.360 2.105 1.834 2.248 . 0 0 "[ . 1 . 2 .]" 3
71 1 22 VAL QG 1 23 LEU H 2.830 . 3.860 3.218 3.030 3.368 . 0 0 "[ . 1 . 2 .]" 3
72 1 41 GLY QA 1 44 LEU QD 3.390 . 4.220 2.757 2.043 3.544 . 0 0 "[ . 1 . 2 .]" 3
73 1 41 GLY QA 1 44 LEU QD 3.180 . 4.560 2.833 2.044 3.736 . 0 0 "[ . 1 . 2 .]" 3
74 1 39 VAL QG 1 40 PHE H 2.840 . 3.880 2.896 1.849 3.184 . 0 0 "[ . 1 . 2 .]" 3
75 1 36 HIS HD2 1 37 ILE MD 3.640 . 5.480 4.567 3.219 5.600 0.120 20 0 "[ . 1 . 2 .]" 3
76 1 45 LEU HG 1 47 ASP H 3.280 . 4.760 4.412 4.153 4.791 0.031 18 0 "[ . 1 . 2 .]" 3
77 1 23 LEU HA 1 23 LEU QD 2.410 . 3.020 1.985 1.780 2.166 0.020 19 0 "[ . 1 . 2 .]" 3
78 1 23 LEU H 1 23 LEU QB 2.380 . 2.940 2.179 2.048 2.316 . 0 0 "[ . 1 . 2 .]" 3
79 1 17 VAL HA 1 17 VAL QG 2.430 . 3.060 2.048 1.859 2.236 . 0 0 "[ . 1 . 2 .]" 3
80 1 10 PHE HA 1 13 ILE MD 2.910 . 4.020 4.067 3.986 4.218 0.198 15 0 "[ . 1 . 2 .]" 3
81 1 28 GLU QB 1 29 ILE QG 2.970 . 4.140 3.689 2.810 4.471 0.331 25 0 "[ . 1 . 2 .]" 3
82 1 38 LEU HA 1 38 LEU QD 2.460 . 2.820 2.181 1.915 2.510 . 0 0 "[ . 1 . 2 .]" 3
83 1 17 VAL HA 1 22 VAL QG 2.870 . 3.940 2.706 2.193 3.610 . 0 0 "[ . 1 . 2 .]" 3
84 1 3 LYS QB 1 3 LYS QD 2.530 . 3.260 1.927 1.868 2.065 . 0 0 "[ . 1 . 2 .]" 3
85 1 8 LEU QD 1 10 PHE H 3.030 . 4.080 2.967 1.774 3.803 0.026 12 0 "[ . 1 . 2 .]" 3
86 1 9 LEU QD 1 13 ILE HB 3.170 . 4.540 3.541 2.967 4.238 . 0 0 "[ . 1 . 2 .]" 3
87 1 13 ILE HA 1 13 ILE MG 2.380 . 2.960 2.068 2.011 2.138 . 0 0 "[ . 1 . 2 .]" 3
88 1 51 VAL HA 1 53 LEU QD 3.450 . 5.100 5.083 4.987 5.210 0.110 1 0 "[ . 1 . 2 .]" 3
89 1 19 PRO QG 1 20 VAL H 2.510 . 2.960 2.653 2.129 2.825 . 0 0 "[ . 1 . 2 .]" 3
90 1 8 LEU H 1 8 LEU QB 2.630 . 3.460 2.126 1.728 2.692 0.072 24 0 "[ . 1 . 2 .]" 3
91 1 23 LEU QB 1 27 GLU QG 3.440 . 5.080 4.846 3.639 5.189 0.109 24 0 "[ . 1 . 2 .]" 3
92 1 4 LYS H 1 4 LYS QB 2.630 . 3.460 2.294 1.894 2.574 . 0 0 "[ . 1 . 2 .]" 3
93 1 4 LYS H 1 4 LYS QG 3.400 . 5.000 2.128 1.792 3.136 0.008 5 0 "[ . 1 . 2 .]" 3
94 1 48 ALA H 1 50 THR HG1 3.450 . 5.100 3.782 3.189 4.516 . 0 0 "[ . 1 . 2 .]" 3
95 1 31 ILE MD 1 34 LEU HA 2.660 . 3.520 3.225 2.180 3.777 0.257 22 0 "[ . 1 . 2 .]" 3
96 1 17 VAL HA 1 22 VAL QG 2.510 . 3.220 3.141 2.581 3.268 0.048 24 0 "[ . 1 . 2 .]" 3
97 1 51 VAL HA 1 52 VAL H 2.420 . 3.040 2.735 2.655 2.778 . 0 0 "[ . 1 . 2 .]" 3
98 1 22 VAL HA 1 23 LEU H 2.960 . 3.940 3.390 3.304 3.445 . 0 0 "[ . 1 . 2 .]" 3
99 1 24 ALA H 1 25 VAL HA 3.020 . 4.240 3.849 3.391 4.083 . 0 0 "[ . 1 . 2 .]" 3
100 1 26 PHE H 1 26 PHE QB 2.500 . 3.000 1.916 1.874 2.004 . 0 0 "[ . 1 . 2 .]" 3
101 1 16 ALA H 1 17 VAL HA 3.120 . 4.440 4.216 3.827 4.638 0.198 20 0 "[ . 1 . 2 .]" 3
102 1 31 ILE MD 1 33 GLU QG 3.530 . 5.260 3.771 2.280 5.334 0.074 1 0 "[ . 1 . 2 .]" 3
103 1 38 LEU QD 1 42 GLU QG 3.500 . 5.200 2.521 1.975 3.519 . 0 0 "[ . 1 . 2 .]" 3
104 1 50 THR HA 1 51 VAL H 2.570 . 3.340 3.408 3.346 3.451 0.111 10 0 "[ . 1 . 2 .]" 3
105 1 32 ASN QB 1 33 GLU H 3.330 . 4.640 3.137 2.132 3.972 . 0 0 "[ . 1 . 2 .]" 3
106 1 35 LEU HG 1 39 VAL QG 3.130 . 4.460 4.172 3.631 4.705 0.245 5 0 "[ . 1 . 2 .]" 3
107 1 26 PHE H 1 26 PHE HA 2.540 . 3.280 2.469 2.429 2.533 . 0 0 "[ . 1 . 2 .]" 3
108 1 12 SER QB 1 13 ILE H 2.800 . 3.800 2.577 2.226 2.796 . 0 0 "[ . 1 . 2 .]" 3
109 1 25 VAL HA 1 27 GLU QB 3.010 . 4.220 3.445 2.978 4.155 . 0 0 "[ . 1 . 2 .]" 3
110 1 43 SER H 1 43 SER QB 2.430 . 3.060 2.402 2.074 2.577 . 0 0 "[ . 1 . 2 .]" 3
111 1 51 VAL HA 1 56 LYS H 3.240 . 4.160 4.051 3.481 4.286 0.126 25 0 "[ . 1 . 2 .]" 3
112 1 49 VAL QG 1 50 THR HG1 3.240 . 4.680 2.753 2.011 3.619 . 0 0 "[ . 1 . 2 .]" 3
113 1 20 VAL QG 1 24 ALA MB 3.170 . 4.540 3.449 2.639 4.066 . 0 0 "[ . 1 . 2 .]" 3
114 1 22 VAL QG 1 26 PHE QE 2.820 . 3.840 2.604 2.067 3.407 . 0 0 "[ . 1 . 2 .]" 3
115 1 14 ILE HA 1 17 VAL H 3.120 . 4.440 3.259 3.005 3.432 . 0 0 "[ . 1 . 2 .]" 3
116 1 20 VAL QG 1 21 ALA MB 3.230 . 4.660 3.586 3.406 3.848 . 0 0 "[ . 1 . 2 .]" 3
117 1 23 LEU QD 1 40 PHE QE 3.260 . 4.720 4.179 2.252 4.866 0.146 11 0 "[ . 1 . 2 .]" 3
118 1 16 ALA HA 1 17 VAL QG 3.510 . 5.220 4.080 3.081 4.686 . 0 0 "[ . 1 . 2 .]" 3
119 1 17 VAL QG 1 21 ALA H 3.400 . 5.000 4.152 3.712 4.581 . 0 0 "[ . 1 . 2 .]" 3
120 1 23 LEU QD 1 26 PHE QE 3.210 . 4.620 4.086 3.329 4.686 0.066 16 0 "[ . 1 . 2 .]" 3
121 1 22 VAL QG 1 26 PHE QD 2.720 . 3.640 3.063 2.286 3.691 0.051 22 0 "[ . 1 . 2 .]" 3
122 1 23 LEU H 1 24 ALA MB 2.910 . 4.020 3.823 3.693 3.947 . 0 0 "[ . 1 . 2 .]" 3
123 1 13 ILE QG 1 13 ILE MG 2.450 . 3.100 1.996 1.909 2.132 . 0 0 "[ . 1 . 2 .]" 3
124 1 22 VAL QG 1 26 PHE QD 2.830 . 3.860 2.355 1.972 2.867 . 0 0 "[ . 1 . 2 .]" 3
125 1 24 ALA MB 1 25 VAL HB 3.110 . 4.420 3.942 3.641 4.022 . 0 0 "[ . 1 . 2 .]" 3
126 1 51 VAL HA 1 53 LEU QB 3.180 . 4.560 4.271 4.073 4.456 . 0 0 "[ . 1 . 2 .]" 3
127 1 29 ILE HA 1 29 ILE QG 2.590 . 3.380 2.178 2.056 2.340 . 0 0 "[ . 1 . 2 .]" 3
128 1 35 LEU QB 1 35 LEU QD 2.150 . 2.500 1.707 1.661 1.751 0.139 6 0 "[ . 1 . 2 .]" 3
129 1 20 VAL QG 1 24 ALA H 2.780 . 3.760 3.574 3.301 3.824 0.064 19 0 "[ . 1 . 2 .]" 3
130 1 8 LEU HA 1 10 PHE H 3.240 . 4.480 3.163 2.573 4.613 0.133 6 0 "[ . 1 . 2 .]" 3
131 1 47 ASP H 1 47 ASP HA 2.680 . 3.400 2.766 2.736 2.794 . 0 0 "[ . 1 . 2 .]" 3
132 1 10 PHE H 1 10 PHE HA 2.450 . 3.100 2.743 2.671 2.804 . 0 0 "[ . 1 . 2 .]" 3
133 1 17 VAL HA 1 48 ALA H 2.830 . 3.860 3.079 2.919 3.181 . 0 0 "[ . 1 . 2 .]" 3
134 1 7 ASN H 1 12 SER QB 3.260 . 4.720 4.751 4.082 5.051 0.331 7 0 "[ . 1 . 2 .]" 3
135 1 48 ALA H 1 48 ALA HA 2.520 . 3.240 2.748 2.711 2.775 . 0 0 "[ . 1 . 2 .]" 3
136 1 5 LYS HA 1 5 LYS QB 2.320 . 2.840 2.031 1.932 2.259 . 0 0 "[ . 1 . 2 .]" 3
137 1 19 PRO QB 1 19 PRO QD 2.810 . 3.820 2.834 2.780 3.005 . 0 0 "[ . 1 . 2 .]" 3
138 1 14 ILE HA 1 17 VAL HB 3.260 . 4.720 3.150 2.336 4.745 0.025 21 0 "[ . 1 . 2 .]" 3
139 1 25 VAL HA 1 26 PHE H 2.750 . 3.700 3.146 3.119 3.180 . 0 0 "[ . 1 . 2 .]" 3
140 1 51 VAL HA 1 54 TYR QD 3.390 . 4.980 4.153 3.780 4.837 . 0 0 "[ . 1 . 2 .]" 3
141 1 39 VAL HA 1 42 GLU QG 3.410 . 4.820 3.742 2.542 4.823 0.003 20 0 "[ . 1 . 2 .]" 3
142 1 15 SER H 1 15 SER QB 2.380 . 2.960 2.129 2.046 2.201 . 0 0 "[ . 1 . 2 .]" 3
143 1 31 ILE HA 1 33 GLU H 3.790 . 5.780 4.855 3.109 6.019 0.239 24 0 "[ . 1 . 2 .]" 3
144 1 51 VAL HA 1 55 LYS H 2.880 . 3.960 3.172 2.824 3.408 . 0 0 "[ . 1 . 2 .]" 3
145 1 17 VAL HA 1 18 ASP HA 2.920 . 4.040 4.009 3.913 4.262 0.222 2 0 "[ . 1 . 2 .]" 3
146 1 17 VAL HA 1 21 ALA H 3.070 . 4.340 4.062 3.323 4.347 0.007 9 0 "[ . 1 . 2 .]" 3
147 1 15 SER H 1 16 ALA H 2.350 . 2.900 2.201 2.006 2.307 . 0 0 "[ . 1 . 2 .]" 3
148 1 23 LEU H 1 24 ALA H 2.460 . 3.120 2.112 2.028 2.284 . 0 0 "[ . 1 . 2 .]" 3
149 1 27 GLU H 1 28 GLU H 2.530 . 3.140 2.371 2.173 2.520 . 0 0 "[ . 1 . 2 .]" 3
150 1 19 PRO HA 1 19 PRO QB 2.430 . 3.060 2.233 2.179 2.255 . 0 0 "[ . 1 . 2 .]" 3
151 1 4 LYS HA 1 4 LYS QD 2.740 . 3.680 3.101 2.107 3.644 . 0 0 "[ . 1 . 2 .]" 3
152 1 33 GLU H 1 34 LEU HA 3.190 . 4.580 4.448 3.826 4.883 0.303 17 0 "[ . 1 . 2 .]" 3
153 1 4 LYS HA 1 5 LYS H 2.260 . 2.720 2.347 2.040 2.786 0.066 8 0 "[ . 1 . 2 .]" 3
154 1 39 VAL HA 1 40 PHE QB 3.150 . 4.360 4.049 3.232 4.193 . 0 0 "[ . 1 . 2 .]" 3
155 1 4 LYS H 1 4 LYS HA 2.510 . 3.220 2.445 2.192 2.621 . 0 0 "[ . 1 . 2 .]" 3
156 1 55 LYS HA 1 56 LYS H 2.270 . 2.740 2.213 2.183 2.390 . 0 0 "[ . 1 . 2 .]" 3
157 1 17 VAL HA 1 18 ASP QB 2.970 . 4.120 3.768 3.583 4.045 . 0 0 "[ . 1 . 2 .]" 3
158 1 31 ILE MG 1 34 LEU HA 2.750 . 3.700 3.131 2.052 3.652 . 0 0 "[ . 1 . 2 .]" 3
159 1 26 PHE HA 1 27 GLU QB 3.420 . 5.040 5.097 5.034 5.169 0.129 14 0 "[ . 1 . 2 .]" 3
160 1 42 GLU QB 1 43 SER QB 2.990 . 4.180 4.445 4.157 4.806 0.626 4 3 "[ +. 1 . * - .]" 3
161 1 22 VAL HB 1 23 LEU HA 2.960 . 4.120 4.131 3.796 4.231 0.111 12 0 "[ . 1 . 2 .]" 3
162 1 24 ALA HA 1 26 PHE H 2.840 . 3.880 3.927 3.845 4.005 0.125 24 0 "[ . 1 . 2 .]" 3
163 1 15 SER QB 1 17 VAL HA 3.350 . 4.900 4.982 4.921 5.110 0.210 24 0 "[ . 1 . 2 .]" 3
164 1 15 SER HA 1 16 ALA H 2.520 . 3.240 2.747 2.696 2.779 . 0 0 "[ . 1 . 2 .]" 3
165 1 22 VAL HB 1 23 LEU H 2.490 . 3.180 2.857 2.619 3.172 . 0 0 "[ . 1 . 2 .]" 3
166 1 6 ASP QB 1 7 ASN H 2.980 . 4.000 3.104 1.909 3.784 . 0 0 "[ . 1 . 2 .]" 3
167 1 42 GLU QB 1 43 SER H 2.720 . 3.620 2.538 2.092 3.252 . 0 0 "[ . 1 . 2 .]" 3
168 1 4 LYS HA 1 4 LYS QG 2.530 . 3.260 2.388 1.950 3.005 . 0 0 "[ . 1 . 2 .]" 3
169 1 27 GLU H 1 27 GLU QB 2.500 . 3.200 2.098 2.017 2.259 . 0 0 "[ . 1 . 2 .]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 1
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 29 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 36 HIS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 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 29 ILE HA 1 36 HIS HD2 4.400 . 7.000 5.514 4.417 6.978 . 0 0 "[ . 1 . 2 .]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 192
_Distance_constraint_stats_list.Viol_count 422
_Distance_constraint_stats_list.Viol_total 1069.463
_Distance_constraint_stats_list.Viol_max 0.891
_Distance_constraint_stats_list.Viol_rms 0.0459
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0089
_Distance_constraint_stats_list.Viol_average_violations_only 0.1014
_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 8 LEU 0.573 0.140 15 0 "[ . 1 . 2 .]"
1 9 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 10 PHE 2.911 0.163 15 0 "[ . 1 . 2 .]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 SER 0.836 0.163 15 0 "[ . 1 . 2 .]"
1 13 ILE 1.121 0.123 22 0 "[ . 1 . 2 .]"
1 14 ILE 0.508 0.115 15 0 "[ . 1 . 2 .]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 17 VAL 0.166 0.073 19 0 "[ . 1 . 2 .]"
1 18 ASP 0.244 0.065 12 0 "[ . 1 . 2 .]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 VAL 0.392 0.081 20 0 "[ . 1 . 2 .]"
1 21 ALA 0.255 0.065 12 0 "[ . 1 . 2 .]"
1 22 VAL 4.734 0.467 12 0 "[ . 1 . 2 .]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 VAL 1.534 0.214 16 0 "[ . 1 . 2 .]"
1 26 PHE 3.744 0.475 21 0 "[ . 1 . 2 .]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 GLU 4.065 0.307 16 0 "[ . 1 . 2 .]"
1 29 ILE 11.452 0.891 25 3 "[ . * 1 . 2- +]"
1 31 ILE 8.666 0.819 21 2 "[ . - 1 . 2+ .]"
1 32 ASN 0.433 0.249 9 0 "[ . 1 . 2 .]"
1 33 GLU 0.117 0.117 22 0 "[ . 1 . 2 .]"
1 34 LEU 7.812 0.819 21 1 "[ . 1 . 2+ .]"
1 35 LEU 10.451 0.891 25 2 "[ . 1 . 2- +]"
1 36 HIS 12.935 0.630 19 1 "[ . 1 . +2 .]"
1 37 ILE 4.111 0.630 19 1 "[ . 1 . +2 .]"
1 39 VAL 1.242 0.243 11 0 "[ . 1 . 2 .]"
1 40 PHE 4.211 0.467 12 0 "[ . 1 . 2 .]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 SER 0.101 0.028 13 0 "[ . 1 . 2 .]"
1 44 LEU 0.673 0.170 24 0 "[ . 1 . 2 .]"
1 45 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 46 ASN 0.101 0.028 13 0 "[ . 1 . 2 .]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 VAL 0.178 0.035 7 0 "[ . 1 . 2 .]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 VAL 0.057 0.039 14 0 "[ . 1 . 2 .]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 TYR 0.986 0.171 10 0 "[ . 1 . 2 .]"
1 55 LYS 0.609 0.171 10 0 "[ . 1 . 2 .]"
1 56 LYS 0.118 0.086 19 0 "[ . 1 . 2 .]"
1 57 LYS 0.138 0.074 5 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 36 HIS HE1 1 40 PHE HA 4.910 . 8.020 7.130 5.966 8.200 0.180 19 0 "[ . 1 . 2 .]" 5
2 1 54 TYR QE 1 55 LYS HA 4.900 . 8.000 4.929 3.865 5.516 . 0 0 "[ . 1 . 2 .]" 5
3 1 32 ASN QB 1 36 HIS HE1 4.900 . 8.000 5.902 2.357 8.001 0.001 10 0 "[ . 1 . 2 .]" 5
4 1 29 ILE MD 1 29 ILE MG 3.070 . 4.340 2.530 1.795 3.226 0.005 15 0 "[ . 1 . 2 .]" 5
5 1 25 VAL HB 1 29 ILE MD 4.030 . 6.260 3.546 2.429 5.237 . 0 0 "[ . 1 . 2 .]" 5
6 1 26 PHE QD 1 31 ILE HA 4.930 . 8.060 6.058 3.580 8.239 0.179 13 0 "[ . 1 . 2 .]" 5
7 1 54 TYR QE 1 55 LYS QG 4.900 . 8.000 5.866 2.317 7.089 . 0 0 "[ . 1 . 2 .]" 5
8 1 25 VAL HA 1 28 GLU HA 3.970 . 6.140 6.098 5.706 6.354 0.214 16 0 "[ . 1 . 2 .]" 5
9 1 25 VAL HA 1 26 PHE QD 4.580 . 7.360 5.350 4.734 6.090 . 0 0 "[ . 1 . 2 .]" 5
10 1 53 LEU HA 1 54 TYR QD 4.900 . 8.000 4.958 4.654 5.475 . 0 0 "[ . 1 . 2 .]" 5
11 1 29 ILE MG 1 36 HIS HE1 4.900 . 8.000 5.182 2.203 8.038 0.038 23 0 "[ . 1 . 2 .]" 5
12 1 9 LEU HA 1 10 PHE QD 4.720 . 7.640 4.815 4.319 5.585 . 0 0 "[ . 1 . 2 .]" 5
13 1 26 PHE QD 1 28 GLU QG 4.900 . 8.000 7.234 6.492 7.733 . 0 0 "[ . 1 . 2 .]" 5
14 1 25 VAL QG 1 36 HIS HE1 4.920 . 8.040 6.623 3.319 8.200 0.160 17 0 "[ . 1 . 2 .]" 5
15 1 36 HIS HE1 1 39 VAL QG 4.900 . 8.000 6.867 5.674 7.997 . 0 0 "[ . 1 . 2 .]" 5
16 1 22 VAL HB 1 26 PHE QE 4.770 . 7.740 5.031 3.667 6.035 . 0 0 "[ . 1 . 2 .]" 5
17 1 22 VAL HB 1 26 PHE HZ 4.900 . 8.000 6.718 5.304 7.707 . 0 0 "[ . 1 . 2 .]" 5
18 1 29 ILE MD 1 36 HIS HE1 4.900 . 8.000 5.215 3.657 6.771 . 0 0 "[ . 1 . 2 .]" 5
19 1 26 PHE QE 1 34 LEU QD 4.500 . 7.200 6.163 3.038 7.542 0.342 15 0 "[ . 1 . 2 .]" 5
20 1 28 GLU HA 1 36 HIS HE1 4.870 . 7.940 7.688 6.410 8.247 0.307 16 0 "[ . 1 . 2 .]" 5
21 1 25 VAL HA 1 26 PHE QE 4.900 . 8.000 7.059 6.645 7.557 . 0 0 "[ . 1 . 2 .]" 5
22 1 33 GLU HA 1 36 HIS HE1 4.900 . 8.000 3.765 2.705 7.214 . 0 0 "[ . 1 . 2 .]" 5
23 1 35 LEU QD 1 36 HIS HE1 4.860 . 7.920 6.379 2.252 7.604 . 0 0 "[ . 1 . 2 .]" 5
24 1 32 ASN HA 1 36 HIS HE1 4.900 . 8.000 6.805 2.523 8.249 0.249 9 0 "[ . 1 . 2 .]" 5
25 1 50 THR HB 1 54 TYR QD 4.790 . 7.780 5.683 4.532 6.605 . 0 0 "[ . 1 . 2 .]" 5
26 1 22 VAL HA 1 26 PHE HZ 4.900 . 8.000 7.252 5.654 8.023 0.023 22 0 "[ . 1 . 2 .]" 5
27 1 26 PHE QD 1 27 GLU QG 4.900 . 8.000 6.506 5.984 7.105 . 0 0 "[ . 1 . 2 .]" 5
28 1 54 TYR QD 1 55 LYS HA 4.500 . 7.200 4.407 2.845 4.768 . 0 0 "[ . 1 . 2 .]" 5
29 1 34 LEU HA 1 36 HIS HE1 5.000 . 8.200 7.402 5.920 8.476 0.276 18 0 "[ . 1 . 2 .]" 5
30 1 14 ILE MD 1 14 ILE MG 2.830 . 3.860 1.862 1.792 2.036 0.008 8 0 "[ . 1 . 2 .]" 5
31 1 17 VAL QG 1 22 VAL QG 3.140 . 4.480 2.403 1.797 3.553 0.003 8 0 "[ . 1 . 2 .]" 5
32 1 37 ILE HB 1 37 ILE MD 3.290 . 4.780 2.329 2.144 3.187 . 0 0 "[ . 1 . 2 .]" 5
33 1 51 VAL QG 1 55 LYS QD 4.150 . 6.500 4.731 1.993 6.539 0.039 14 0 "[ . 1 . 2 .]" 5
34 1 19 PRO QB 1 20 VAL QG 4.230 . 6.660 3.073 2.737 3.570 . 0 0 "[ . 1 . 2 .]" 5
35 1 31 ILE MG 1 35 LEU HG 3.690 . 5.580 4.621 2.631 5.885 0.305 3 0 "[ . 1 . 2 .]" 5
36 1 35 LEU HG 1 39 VAL QG 4.200 . 6.600 5.790 4.643 6.843 0.243 11 0 "[ . 1 . 2 .]" 5
37 1 45 LEU QD 1 49 VAL QG 3.570 . 5.340 2.473 2.054 3.767 . 0 0 "[ . 1 . 2 .]" 5
38 1 20 VAL QG 1 21 ALA MB 3.940 . 6.080 4.074 4.041 4.104 . 0 0 "[ . 1 . 2 .]" 5
39 1 42 GLU QB 1 45 LEU QD 3.770 . 5.740 3.268 2.579 3.844 . 0 0 "[ . 1 . 2 .]" 5
40 1 50 THR HG1 1 53 LEU QD 4.130 . 6.460 3.710 3.102 4.561 . 0 0 "[ . 1 . 2 .]" 5
41 1 13 ILE MG 1 16 ALA MB 3.840 . 5.880 4.262 3.631 4.978 . 0 0 "[ . 1 . 2 .]" 5
42 1 17 VAL QG 1 22 VAL HB 3.820 . 5.840 4.700 3.599 5.913 0.073 19 0 "[ . 1 . 2 .]" 5
43 1 24 ALA MB 1 25 VAL QG 3.500 . 5.200 2.980 2.822 3.179 . 0 0 "[ . 1 . 2 .]" 5
44 1 17 VAL QG 1 21 ALA MB 3.350 . 4.900 2.477 1.789 3.620 0.011 20 0 "[ . 1 . 2 .]" 5
45 1 21 ALA HA 1 22 VAL HA 4.650 . 7.500 4.678 4.609 4.739 . 0 0 "[ . 1 . 2 .]" 5
46 1 18 ASP HA 1 21 ALA HA 4.430 . 7.060 6.890 6.240 7.125 0.065 12 0 "[ . 1 . 2 .]" 5
47 1 24 ALA MB 1 27 GLU QG 4.680 . 7.560 5.171 4.595 5.535 . 0 0 "[ . 1 . 2 .]" 5
48 1 23 LEU HA 1 27 GLU QG 4.890 . 7.980 6.234 5.002 6.769 . 0 0 "[ . 1 . 2 .]" 5
49 1 22 VAL HB 1 23 LEU HA 4.260 . 6.720 4.285 3.996 4.424 . 0 0 "[ . 1 . 2 .]" 5
50 1 25 VAL HA 1 29 ILE MD 4.290 . 6.780 4.891 3.810 6.117 . 0 0 "[ . 1 . 2 .]" 5
51 1 29 ILE MD 1 31 ILE HA 4.290 . 6.780 4.398 2.543 6.441 . 0 0 "[ . 1 . 2 .]" 5
52 1 28 GLU HA 1 29 ILE MD 4.520 . 7.240 5.934 4.573 6.494 . 0 0 "[ . 1 . 2 .]" 5
53 1 29 ILE MD 1 34 LEU HA 4.940 . 8.080 7.069 2.253 8.374 0.294 3 0 "[ . 1 . 2 .]" 5
54 1 14 ILE MD 1 17 VAL QG 3.220 . 4.640 3.288 2.137 4.691 0.051 24 0 "[ . 1 . 2 .]" 5
55 1 49 VAL QG 1 53 LEU QD 4.010 . 6.220 3.575 3.324 3.736 . 0 0 "[ . 1 . 2 .]" 5
56 1 29 ILE MD 1 34 LEU QD 3.750 . 5.710 4.800 3.063 5.823 0.113 15 0 "[ . 1 . 2 .]" 5
57 1 21 ALA MB 1 22 VAL QG 4.140 . 6.480 2.957 2.712 3.196 . 0 0 "[ . 1 . 2 .]" 5
58 1 22 VAL HA 1 23 LEU QD 4.390 . 6.980 5.307 4.243 5.729 . 0 0 "[ . 1 . 2 .]" 5
59 1 21 ALA MB 1 25 VAL HA 4.800 . 7.800 7.060 6.652 7.744 . 0 0 "[ . 1 . 2 .]" 5
60 1 20 VAL QG 1 23 LEU QD 3.250 . 4.700 3.661 2.989 4.319 . 0 0 "[ . 1 . 2 .]" 5
61 1 21 ALA MB 1 25 VAL HB 4.340 . 6.880 6.391 5.337 6.822 . 0 0 "[ . 1 . 2 .]" 5
62 1 49 VAL QG 1 53 LEU HG 4.450 . 7.100 5.806 5.572 6.002 . 0 0 "[ . 1 . 2 .]" 5
63 1 22 VAL QG 1 25 VAL HA 4.430 . 7.060 5.745 5.153 6.167 . 0 0 "[ . 1 . 2 .]" 5
64 1 23 LEU HG 1 27 GLU QG 4.750 . 7.700 6.127 4.310 7.590 . 0 0 "[ . 1 . 2 .]" 5
65 1 22 VAL QG 1 25 VAL HB 3.690 . 5.580 3.559 2.779 4.029 . 0 0 "[ . 1 . 2 .]" 5
66 1 20 VAL QG 1 22 VAL QG 3.390 . 4.980 4.920 4.682 5.061 0.081 20 0 "[ . 1 . 2 .]" 5
67 1 49 VAL HA 1 53 LEU QD 4.590 . 7.380 5.098 4.732 5.343 . 0 0 "[ . 1 . 2 .]" 5
68 1 29 ILE MG 1 31 ILE MD 4.020 . 6.240 5.371 2.177 6.591 0.351 8 0 "[ . 1 . 2 .]" 5
69 1 53 LEU HG 1 54 TYR QD 4.410 . 7.020 3.233 2.329 4.706 . 0 0 "[ . 1 . 2 .]" 5
70 1 10 PHE QD 1 13 ILE MG 3.830 . 5.860 5.642 4.437 5.968 0.108 4 0 "[ . 1 . 2 .]" 5
71 1 34 LEU QD 1 36 HIS HD2 4.450 . 7.100 4.998 4.145 6.400 . 0 0 "[ . 1 . 2 .]" 5
72 1 10 PHE QE 1 14 ILE MD 3.520 . 5.240 4.291 3.149 5.020 . 0 0 "[ . 1 . 2 .]" 5
73 1 52 VAL QG 1 54 TYR QD 4.900 . 8.000 5.562 5.318 5.726 . 0 0 "[ . 1 . 2 .]" 5
74 1 26 PHE HZ 1 29 ILE MG 4.900 . 8.000 7.149 5.285 8.030 0.030 16 0 "[ . 1 . 2 .]" 5
75 1 49 VAL HA 1 54 TYR QE 4.900 . 8.000 7.629 7.087 7.863 . 0 0 "[ . 1 . 2 .]" 5
76 1 26 PHE QE 1 31 ILE MD 4.490 . 7.180 5.213 2.335 7.219 0.039 3 0 "[ . 1 . 2 .]" 5
77 1 48 ALA MB 1 52 VAL QG 3.890 . 5.980 3.659 3.463 3.819 . 0 0 "[ . 1 . 2 .]" 5
78 1 42 GLU HA 1 45 LEU QD 3.620 . 5.440 2.185 2.085 2.219 . 0 0 "[ . 1 . 2 .]" 5
79 1 26 PHE QD 1 34 LEU QD 4.520 . 7.240 6.701 4.577 7.715 0.475 21 0 "[ . 1 . 2 .]" 5
80 1 22 VAL HB 1 29 ILE MD 4.680 . 7.560 7.201 5.693 7.888 0.328 19 0 "[ . 1 . 2 .]" 5
81 1 25 VAL QG 1 28 GLU QG 4.730 . 7.660 4.424 3.253 4.929 . 0 0 "[ . 1 . 2 .]" 5
82 1 29 ILE MG 1 35 LEU QD 3.790 . 5.780 5.606 2.085 6.671 0.891 25 2 "[ . 1 . 2- +]" 5
83 1 29 ILE MD 1 31 ILE MG 3.660 . 5.520 4.682 2.917 6.301 0.781 7 1 "[ . + 1 . 2 .]" 5
84 1 49 VAL QG 1 52 VAL QG 3.170 . 4.540 3.198 2.952 3.411 . 0 0 "[ . 1 . 2 .]" 5
85 1 25 VAL QG 1 29 ILE MG 2.560 . 3.320 3.015 2.109 3.380 0.060 23 0 "[ . 1 . 2 .]" 5
86 1 35 LEU QD 1 37 ILE MG 3.290 . 4.780 4.785 4.473 5.015 0.235 22 0 "[ . 1 . 2 .]" 5
87 1 31 ILE HB 1 34 LEU QD 3.860 . 5.920 5.465 3.426 6.739 0.819 21 1 "[ . 1 . 2+ .]" 5
88 1 35 LEU QD 1 39 VAL QG 3.600 . 5.400 4.009 2.631 5.258 . 0 0 "[ . 1 . 2 .]" 5
89 1 52 VAL QG 1 53 LEU QD 3.430 . 5.060 3.789 3.551 4.084 . 0 0 "[ . 1 . 2 .]" 5
90 1 45 LEU QD 1 48 ALA MB 3.410 . 5.020 3.896 3.149 4.299 . 0 0 "[ . 1 . 2 .]" 5
91 1 22 VAL QG 1 40 PHE QE 5.420 . 9.040 8.618 5.688 9.507 0.467 12 0 "[ . 1 . 2 .]" 5
92 1 40 PHE QE 1 43 SER QB 4.710 . 7.620 6.197 5.202 6.939 . 0 0 "[ . 1 . 2 .]" 5
93 1 29 ILE HB 1 36 HIS HD2 4.600 . 7.400 5.742 3.377 7.745 0.345 14 0 "[ . 1 . 2 .]" 5
94 1 10 PHE HZ 1 14 ILE MG 4.900 . 8.000 7.116 5.070 8.019 0.019 8 0 "[ . 1 . 2 .]" 5
95 1 26 PHE QD 1 31 ILE QG 4.900 . 8.000 6.378 3.307 8.190 0.190 6 0 "[ . 1 . 2 .]" 5
96 1 8 LEU QD 1 10 PHE HZ 4.900 . 8.000 7.113 3.979 8.140 0.140 15 0 "[ . 1 . 2 .]" 5
97 1 9 LEU HG 1 10 PHE HZ 4.900 . 8.000 6.355 4.200 7.434 . 0 0 "[ . 1 . 2 .]" 5
98 1 9 LEU QB 1 10 PHE HZ 4.900 . 8.000 4.745 3.998 6.860 . 0 0 "[ . 1 . 2 .]" 5
99 1 33 GLU QG 1 36 HIS HE1 4.900 . 8.000 4.444 2.323 8.117 0.117 22 0 "[ . 1 . 2 .]" 5
100 1 33 GLU QB 1 36 HIS HE1 4.900 . 8.000 4.688 2.668 7.654 . 0 0 "[ . 1 . 2 .]" 5
101 1 10 PHE QD 1 13 ILE HB 4.900 . 8.000 5.213 3.954 5.684 . 0 0 "[ . 1 . 2 .]" 5
102 1 35 LEU QB 1 36 HIS HE1 4.960 . 8.120 7.313 2.711 8.477 0.357 25 0 "[ . 1 . 2 .]" 5
103 1 36 HIS HE1 1 37 ILE QG 4.900 . 8.000 5.925 3.991 8.211 0.211 22 0 "[ . 1 . 2 .]" 5
104 1 29 ILE HB 1 36 HIS HE1 4.900 . 8.000 5.837 3.084 8.123 0.123 14 0 "[ . 1 . 2 .]" 5
105 1 35 LEU HG 1 36 HIS HE1 4.920 . 8.040 7.391 4.908 8.362 0.322 10 0 "[ . 1 . 2 .]" 5
106 1 50 THR HB 1 54 TYR QE 4.900 . 8.000 4.071 2.623 4.866 . 0 0 "[ . 1 . 2 .]" 5
107 1 53 LEU HA 1 54 TYR QE 4.900 . 8.000 6.447 5.738 6.840 . 0 0 "[ . 1 . 2 .]" 5
108 1 54 TYR QE 1 56 LYS HA 4.660 . 7.520 3.085 2.337 7.606 0.086 19 0 "[ . 1 . 2 .]" 5
109 1 54 TYR QE 1 56 LYS QG 4.900 . 8.000 3.259 2.337 7.071 . 0 0 "[ . 1 . 2 .]" 5
110 1 54 TYR QE 1 56 LYS QB 4.900 . 8.000 4.499 3.141 7.782 . 0 0 "[ . 1 . 2 .]" 5
111 1 49 VAL HB 1 54 TYR QE 4.900 . 8.000 7.823 7.239 8.035 0.035 7 0 "[ . 1 . 2 .]" 5
112 1 54 TYR QE 1 55 LYS QB 4.900 . 8.000 5.813 2.606 6.519 . 0 0 "[ . 1 . 2 .]" 5
113 1 26 PHE QD 1 29 ILE HB 4.900 . 8.000 5.323 4.380 6.716 . 0 0 "[ . 1 . 2 .]" 5
114 1 26 PHE QD 1 31 ILE HB 4.900 . 8.000 6.864 5.072 8.123 0.123 3 0 "[ . 1 . 2 .]" 5
115 1 24 ALA HA 1 26 PHE QD 4.660 . 7.520 6.537 6.126 6.964 . 0 0 "[ . 1 . 2 .]" 5
116 1 26 PHE QD 1 29 ILE HA 4.900 . 8.000 6.501 5.247 7.348 . 0 0 "[ . 1 . 2 .]" 5
117 1 54 TYR QE 1 57 LYS HA 4.900 . 8.000 6.532 5.810 8.074 0.074 5 0 "[ . 1 . 2 .]" 5
118 1 49 VAL HA 1 54 TYR QD 4.900 . 8.000 7.708 7.329 8.022 0.022 24 0 "[ . 1 . 2 .]" 5
119 1 26 PHE QD 1 29 ILE QG 4.900 . 8.000 3.548 2.848 4.394 . 0 0 "[ . 1 . 2 .]" 5
120 1 24 ALA MB 1 26 PHE QD 4.900 . 8.000 6.258 5.983 6.495 . 0 0 "[ . 1 . 2 .]" 5
121 1 39 VAL HB 1 40 PHE QD 4.530 . 7.260 5.596 5.222 6.286 . 0 0 "[ . 1 . 2 .]" 5
122 1 10 PHE QB 1 13 ILE MD 4.400 . 7.000 6.010 5.448 7.005 0.005 12 0 "[ . 1 . 2 .]" 5
123 1 10 PHE QB 1 13 ILE MG 4.500 . 7.200 6.090 5.042 6.733 . 0 0 "[ . 1 . 2 .]" 5
124 1 17 VAL QG 1 18 ASP HA 4.900 . 8.000 4.025 3.058 4.886 . 0 0 "[ . 1 . 2 .]" 5
125 1 18 ASP HA 1 22 VAL QG 4.900 . 8.000 4.389 2.126 5.193 . 0 0 "[ . 1 . 2 .]" 5
126 1 18 ASP HA 1 20 VAL QG 4.900 . 8.000 4.221 3.579 6.059 . 0 0 "[ . 1 . 2 .]" 5
127 1 17 VAL HB 1 21 ALA MB 4.890 . 7.980 4.743 2.675 6.207 . 0 0 "[ . 1 . 2 .]" 5
128 1 16 ALA MB 1 17 VAL HB 4.670 . 7.540 4.987 3.316 5.442 . 0 0 "[ . 1 . 2 .]" 5
129 1 18 ASP QB 1 20 VAL QG 4.900 . 8.000 3.454 2.386 5.240 . 0 0 "[ . 1 . 2 .]" 5
130 1 20 VAL HA 1 21 ALA HA 4.440 . 7.080 4.727 4.692 4.758 . 0 0 "[ . 1 . 2 .]" 5
131 1 51 VAL QG 1 52 VAL QG 2.970 . 4.140 3.574 3.132 4.096 . 0 0 "[ . 1 . 2 .]" 5
132 1 18 ASP QB 1 19 PRO QG 4.510 . 7.220 4.865 3.373 5.457 . 0 0 "[ . 1 . 2 .]" 5
133 1 18 ASP QB 1 19 PRO QB 4.680 . 7.560 4.957 3.705 5.562 . 0 0 "[ . 1 . 2 .]" 5
134 1 35 LEU QD 1 36 HIS QB 4.900 . 8.000 3.607 2.215 5.433 . 0 0 "[ . 1 . 2 .]" 5
135 1 36 HIS QB 1 37 ILE MD 4.370 . 6.940 6.188 4.890 6.895 . 0 0 "[ . 1 . 2 .]" 5
136 1 32 ASN QB 1 36 HIS HD2 4.900 . 8.000 4.087 2.021 7.314 . 0 0 "[ . 1 . 2 .]" 5
137 1 40 PHE QD 1 44 LEU HA 4.640 . 7.480 5.996 4.833 6.945 . 0 0 "[ . 1 . 2 .]" 5
138 1 36 HIS QB 1 39 VAL QG 4.620 . 7.440 3.435 2.189 4.562 . 0 0 "[ . 1 . 2 .]" 5
139 1 54 TYR QE 1 57 LYS QE 4.900 . 8.000 6.508 4.241 7.948 . 0 0 "[ . 1 . 2 .]" 5
140 1 23 LEU QD 1 27 GLU QG 4.900 . 8.000 4.538 3.351 5.162 . 0 0 "[ . 1 . 2 .]" 5
141 1 31 ILE MG 1 32 ASN QB 4.650 . 7.500 3.048 2.023 4.640 . 0 0 "[ . 1 . 2 .]" 5
142 1 46 ASN QB 1 49 VAL QG 4.560 . 7.320 4.670 4.312 4.965 . 0 0 "[ . 1 . 2 .]" 5
143 1 47 ASP QB 1 51 VAL QG 4.900 . 8.000 3.724 2.576 4.429 . 0 0 "[ . 1 . 2 .]" 5
144 1 32 ASN QB 1 35 LEU QD 4.590 . 7.380 2.556 1.917 4.452 . 0 0 "[ . 1 . 2 .]" 5
145 1 44 LEU QD 1 47 ASP QB 4.460 . 7.120 4.244 3.611 5.522 . 0 0 "[ . 1 . 2 .]" 5
146 1 54 TYR HA 1 54 TYR QE 4.490 . 7.180 5.591 5.485 5.623 . 0 0 "[ . 1 . 2 .]" 5
147 1 26 PHE HZ 1 29 ILE MD 4.690 . 7.580 4.304 3.514 5.335 . 0 0 "[ . 1 . 2 .]" 5
148 1 25 VAL QG 1 26 PHE HZ 4.550 . 7.300 6.004 5.017 6.641 . 0 0 "[ . 1 . 2 .]" 5
149 1 49 VAL QG 1 54 TYR QE 4.700 . 7.600 6.061 5.212 6.567 . 0 0 "[ . 1 . 2 .]" 5
150 1 53 LEU HG 1 54 TYR QE 4.440 . 7.080 5.278 3.479 6.707 . 0 0 "[ . 1 . 2 .]" 5
151 1 54 TYR QE 1 55 LYS QD 4.670 . 7.540 6.747 2.443 7.711 0.171 10 0 "[ . 1 . 2 .]" 5
152 1 10 PHE HZ 1 13 ILE MG 4.710 . 7.620 7.558 6.907 7.743 0.123 22 0 "[ . 1 . 2 .]" 5
153 1 51 VAL QG 1 54 TYR QD 4.750 . 7.700 4.698 4.238 5.249 . 0 0 "[ . 1 . 2 .]" 5
154 1 26 PHE QB 1 26 PHE QE 4.270 . 6.740 3.984 3.964 3.999 . 0 0 "[ . 1 . 2 .]" 5
155 1 25 VAL QG 1 26 PHE QE 4.480 . 7.160 4.512 3.615 5.182 . 0 0 "[ . 1 . 2 .]" 5
156 1 22 VAL HA 1 26 PHE QE 4.500 . 7.200 5.224 4.083 6.108 . 0 0 "[ . 1 . 2 .]" 5
157 1 23 LEU HA 1 26 PHE QE 4.100 . 6.400 4.746 4.336 5.052 . 0 0 "[ . 1 . 2 .]" 5
158 1 53 LEU QB 1 54 TYR QE 4.490 . 7.180 3.728 3.120 4.333 . 0 0 "[ . 1 . 2 .]" 5
159 1 54 TYR QB 1 54 TYR QE 4.130 . 6.460 3.963 3.958 3.986 . 0 0 "[ . 1 . 2 .]" 5
160 1 53 LEU QD 1 54 TYR QD 4.810 . 7.820 2.814 2.097 3.579 . 0 0 "[ . 1 . 2 .]" 5
161 1 50 THR HA 1 54 TYR QE 4.230 . 6.660 3.621 2.804 4.356 . 0 0 "[ . 1 . 2 .]" 5
162 1 47 ASP HA 1 50 THR HB 3.710 . 5.620 3.788 2.669 4.669 . 0 0 "[ . 1 . 2 .]" 5
163 1 43 SER HA 1 46 ASN HA 3.760 . 5.720 5.628 5.385 5.748 0.028 13 0 "[ . 1 . 2 .]" 5
164 1 53 LEU QD 1 54 TYR QE 4.720 . 7.640 3.935 2.458 4.933 . 0 0 "[ . 1 . 2 .]" 5
165 1 18 ASP HA 1 19 PRO QB 3.940 . 6.080 4.691 4.571 5.342 . 0 0 "[ . 1 . 2 .]" 5
166 1 10 PHE HZ 1 14 ILE MD 4.450 . 7.100 5.911 3.764 7.029 . 0 0 "[ . 1 . 2 .]" 5
167 1 40 PHE QE 1 44 LEU HG 4.570 . 7.340 4.805 3.330 5.688 . 0 0 "[ . 1 . 2 .]" 5
168 1 8 LEU QD 1 10 PHE QD 4.160 . 6.520 4.272 2.257 6.396 . 0 0 "[ . 1 . 2 .]" 5
169 1 37 ILE MG 1 40 PHE QD 4.620 . 7.440 4.689 4.076 5.604 . 0 0 "[ . 1 . 2 .]" 5
170 1 52 VAL QG 1 54 TYR QE 4.900 . 8.000 5.961 5.642 6.356 . 0 0 "[ . 1 . 2 .]" 5
171 1 35 LEU QD 1 36 HIS HD2 4.700 . 7.600 4.032 2.972 4.874 . 0 0 "[ . 1 . 2 .]" 5
172 1 9 LEU QD 1 10 PHE QD 3.620 . 5.440 3.478 2.216 4.298 . 0 0 "[ . 1 . 2 .]" 5
173 1 29 ILE MD 1 36 HIS HD2 4.390 . 6.980 5.164 3.139 7.436 0.456 14 0 "[ . 1 . 2 .]" 5
174 1 36 HIS HD2 1 39 VAL QG 4.050 . 6.300 5.475 3.862 6.367 0.067 22 0 "[ . 1 . 2 .]" 5
175 1 36 HIS HD2 1 37 ILE MG 3.820 . 5.840 4.984 3.755 6.470 0.630 19 1 "[ . 1 . +2 .]" 5
176 1 35 LEU HG 1 36 HIS HD2 4.280 . 6.760 4.258 3.383 6.306 . 0 0 "[ . 1 . 2 .]" 5
177 1 40 PHE HZ 1 44 LEU QB 4.270 . 6.740 5.390 3.978 6.910 0.170 24 0 "[ . 1 . 2 .]" 5
178 1 36 HIS HD2 1 37 ILE QG 4.310 . 6.820 5.505 3.771 7.102 0.282 19 0 "[ . 1 . 2 .]" 5
179 1 40 PHE HZ 1 44 LEU HG 4.070 . 6.340 6.106 5.041 6.414 0.074 11 0 "[ . 1 . 2 .]" 5
180 1 22 VAL HA 1 26 PHE QD 4.430 . 7.060 4.803 4.120 5.609 . 0 0 "[ . 1 . 2 .]" 5
181 1 39 VAL HA 1 40 PHE QD 4.180 . 6.560 6.134 5.958 6.349 . 0 0 "[ . 1 . 2 .]" 5
182 1 10 PHE QD 1 12 SER QB 4.040 . 6.280 6.262 5.979 6.443 0.163 15 0 "[ . 1 . 2 .]" 5
183 1 10 PHE QD 1 14 ILE HA 3.880 . 5.960 5.875 5.488 6.075 0.115 15 0 "[ . 1 . 2 .]" 5
184 1 10 PHE QD 1 11 GLY QA 4.410 . 7.020 5.253 4.762 5.393 . 0 0 "[ . 1 . 2 .]" 5
185 1 33 GLU QB 1 36 HIS HD2 4.390 . 6.980 4.717 3.841 6.628 . 0 0 "[ . 1 . 2 .]" 5
186 1 32 ASN HA 1 36 HIS HD2 4.450 . 7.100 4.803 2.996 6.599 . 0 0 "[ . 1 . 2 .]" 5
187 1 28 GLU HA 1 36 HIS HD2 5.910 . 10.020 9.859 8.534 10.296 0.276 19 0 "[ . 1 . 2 .]" 5
188 1 34 LEU HA 1 36 HIS HD2 4.430 . 7.060 5.152 3.260 6.994 . 0 0 "[ . 1 . 2 .]" 5
189 1 40 PHE QE 1 44 LEU HA 4.270 . 6.740 6.369 5.494 6.810 0.070 15 0 "[ . 1 . 2 .]" 5
190 1 33 GLU HA 1 36 HIS HD2 3.720 . 5.640 3.239 2.342 5.611 . 0 0 "[ . 1 . 2 .]" 5
191 1 33 GLU QG 1 36 HIS HD2 4.470 . 7.140 4.887 3.686 6.957 . 0 0 "[ . 1 . 2 .]" 5
192 1 35 LEU HA 1 36 HIS HD2 4.420 . 7.040 5.200 4.260 6.755 . 0 0 "[ . 1 . 2 .]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 83
_Distance_constraint_stats_list.Viol_count 249
_Distance_constraint_stats_list.Viol_total 1377.403
_Distance_constraint_stats_list.Viol_max 1.160
_Distance_constraint_stats_list.Viol_rms 0.1182
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0266
_Distance_constraint_stats_list.Viol_average_violations_only 0.2213
_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 3 LYS 0.340 0.071 23 0 "[ . 1 . 2 .]"
1 4 LYS 0.299 0.071 23 0 "[ . 1 . 2 .]"
1 5 LYS 0.523 0.181 3 0 "[ . 1 . 2 .]"
1 6 ASP 4.570 0.702 1 6 "[+ - * 1 * *. 2 * .]"
1 7 ASN 40.482 1.160 5 23 "[****+**************2*-* *]"
1 8 LEU 10.177 0.702 1 6 "[+ - * 1 * *. 2 * .]"
1 9 LEU 4.588 0.631 6 2 "[ - .+ 1 . 2 .]"
1 10 PHE 8.022 0.945 16 9 "[ * .* **- *.+ 2 * *]"
1 11 GLY 11.932 1.006 22 11 "[ * * *1- ** ** 2 +* *]"
1 12 SER 16.798 1.160 5 17 "[** *+ ** ** *** ***2*- *]"
1 13 ILE 3.487 0.235 6 0 "[ . 1 . 2 .]"
1 14 ILE 1.752 0.159 9 0 "[ . 1 . 2 .]"
1 15 SER 4.145 0.235 6 0 "[ . 1 . 2 .]"
1 16 ALA 0.609 0.225 8 0 "[ . 1 . 2 .]"
1 17 VAL 0.110 0.055 9 0 "[ . 1 . 2 .]"
1 18 ASP 0.499 0.225 8 0 "[ . 1 . 2 .]"
1 19 PRO 0.057 0.049 23 0 "[ . 1 . 2 .]"
1 20 VAL 0.057 0.049 23 0 "[ . 1 . 2 .]"
1 21 ALA 1.656 0.163 18 0 "[ . 1 . 2 .]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 25 VAL 1.656 0.163 18 0 "[ . 1 . 2 .]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 29 ILE 0.772 0.258 1 0 "[ . 1 . 2 .]"
1 30 HIS 0.053 0.053 24 0 "[ . 1 . 2 .]"
1 31 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 32 ASN 0.772 0.258 1 0 "[ . 1 . 2 .]"
1 33 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 LEU 0.772 0.258 1 0 "[ . 1 . 2 .]"
1 36 HIS 0.053 0.053 24 0 "[ . 1 . 2 .]"
1 37 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 38 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 42 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 44 LEU 2.157 0.225 8 0 "[ . 1 . 2 .]"
1 45 LEU 0.003 0.002 22 0 "[ . 1 . 2 .]"
1 46 ASN 0.051 0.042 6 0 "[ . 1 . 2 .]"
1 47 ASP 0.054 0.042 6 0 "[ . 1 . 2 .]"
1 48 ALA 0.051 0.042 6 0 "[ . 1 . 2 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 THR 0.080 0.044 17 0 "[ . 1 . 2 .]"
1 51 VAL 0.711 0.225 8 0 "[ . 1 . 2 .]"
1 52 VAL 0.023 0.008 20 0 "[ . 1 . 2 .]"
1 53 LEU 0.080 0.044 17 0 "[ . 1 . 2 .]"
1 54 TYR 0.023 0.008 20 0 "[ . 1 . 2 .]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 LYS 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 23 LEU QD 1 41 GLY H 3.580 . 5.360 3.963 3.496 4.410 . 0 0 "[ . 1 . 2 .]" 6
2 1 46 ASN H 1 46 ASN QD 3.750 . 5.700 2.359 1.758 3.012 0.042 6 0 "[ . 1 . 2 .]" 6
3 1 16 ALA H 1 18 ASP H 3.840 . 5.880 5.396 4.107 6.105 0.225 8 0 "[ . 1 . 2 .]" 6
4 1 6 ASP H 1 8 LEU QD 3.850 . 5.900 4.743 2.622 6.067 0.167 1 0 "[ . 1 . 2 .]" 6
5 1 17 VAL HA 1 47 ASP H 3.110 . 4.420 4.014 3.783 4.204 . 0 0 "[ . 1 . 2 .]" 6
6 1 19 PRO HA 1 20 VAL H 2.620 . 3.440 2.721 1.751 3.032 0.049 23 0 "[ . 1 . 2 .]" 6
7 1 22 VAL H 1 23 LEU QB 3.150 . 4.500 3.939 3.792 4.086 . 0 0 "[ . 1 . 2 .]" 6
8 1 21 ALA MB 1 24 ALA H 2.600 . 3.400 2.092 2.001 2.229 . 0 0 "[ . 1 . 2 .]" 6
9 1 21 ALA H 1 25 VAL QG 3.600 . 5.400 5.466 5.383 5.563 0.163 18 0 "[ . 1 . 2 .]" 6
10 1 9 LEU QD 1 11 GLY H 3.180 . 4.560 4.532 3.615 4.719 0.159 9 0 "[ . 1 . 2 .]" 6
11 1 9 LEU H 1 9 LEU QB 2.310 . 2.820 2.049 1.800 2.355 0.000 24 0 "[ . 1 . 2 .]" 6
12 1 21 ALA H 1 23 LEU QB 3.630 . 5.460 4.621 4.423 4.830 . 0 0 "[ . 1 . 2 .]" 6
13 1 21 ALA MB 1 45 LEU H 3.250 . 4.700 4.412 4.240 4.528 . 0 0 "[ . 1 . 2 .]" 6
14 1 25 VAL HB 1 26 PHE H 2.750 . 3.700 2.553 2.317 2.840 . 0 0 "[ . 1 . 2 .]" 6
15 1 17 VAL HA 1 46 ASN H 2.970 . 4.140 3.521 3.491 3.564 . 0 0 "[ . 1 . 2 .]" 6
16 1 50 THR HG1 1 51 VAL H 3.080 . 4.360 2.713 1.756 3.610 0.044 17 0 "[ . 1 . 2 .]" 6
17 1 5 LYS QG 1 7 ASN H 3.350 . 4.900 3.587 1.764 4.925 0.036 10 0 "[ . 1 . 2 .]" 6
18 1 26 PHE H 1 26 PHE QB 2.540 . 3.280 2.221 2.126 2.346 . 0 0 "[ . 1 . 2 .]" 6
19 1 7 ASN QB 1 10 PHE H 3.610 . 5.420 5.289 2.917 6.365 0.945 16 9 "[ * .* **- *.+ 2 * *]" 6
20 1 51 VAL H 1 53 LEU H 2.660 . 3.520 2.772 2.511 2.948 . 0 0 "[ . 1 . 2 .]" 6
21 1 24 ALA H 1 26 PHE H 3.160 . 4.520 3.793 3.658 3.959 . 0 0 "[ . 1 . 2 .]" 6
22 1 51 VAL HA 1 53 LEU H 2.780 . 3.760 3.213 3.135 3.330 . 0 0 "[ . 1 . 2 .]" 6
23 1 10 PHE H 1 10 PHE QR 3.030 . 4.260 2.281 1.789 3.107 0.011 6 0 "[ . 1 . 2 .]" 6
24 1 4 LYS QG 1 6 ASP H 2.870 . 3.940 3.330 2.024 3.978 0.038 13 0 "[ . 1 . 2 .]" 6
25 1 13 ILE H 1 13 ILE MD 2.660 . 3.520 2.824 2.465 3.320 . 0 0 "[ . 1 . 2 .]" 6
26 1 7 ASN QB 1 9 LEU H 3.400 . 5.000 4.424 2.669 5.631 0.631 6 2 "[ - .+ 1 . 2 .]" 6
27 1 9 LEU H 1 10 PHE QB 3.510 . 5.220 4.784 4.340 5.467 0.247 20 0 "[ . 1 . 2 .]" 6
28 1 44 LEU QB 1 48 ALA H 3.290 . 4.780 4.284 3.957 4.475 . 0 0 "[ . 1 . 2 .]" 6
29 1 8 LEU QD 1 9 LEU H 2.770 . 3.740 2.191 1.767 3.528 0.033 3 0 "[ . 1 . 2 .]" 6
30 1 40 PHE H 1 42 GLU H 2.760 . 3.720 2.535 2.160 2.936 . 0 0 "[ . 1 . 2 .]" 6
31 1 17 VAL H 1 51 VAL H 2.930 . 4.060 2.623 2.424 2.735 . 0 0 "[ . 1 . 2 .]" 6
32 1 43 SER H 1 44 LEU H 2.460 . 3.120 2.261 2.004 2.489 . 0 0 "[ . 1 . 2 .]" 6
33 1 5 LYS HA 1 7 ASN H 2.860 . 3.920 3.691 3.175 4.101 0.181 3 0 "[ . 1 . 2 .]" 6
34 1 20 VAL HA 1 24 ALA H 3.420 . 5.040 3.547 3.131 3.862 . 0 0 "[ . 1 . 2 .]" 6
35 1 39 VAL QG 1 42 GLU H 3.430 . 5.060 3.828 3.142 4.099 . 0 0 "[ . 1 . 2 .]" 6
36 1 38 LEU HG 1 42 GLU H 3.830 . 5.860 4.468 3.808 5.031 . 0 0 "[ . 1 . 2 .]" 6
37 1 32 ASN QB 1 33 GLU H 3.680 . 5.560 3.534 2.441 4.065 . 0 0 "[ . 1 . 2 .]" 6
38 1 44 LEU QB 1 47 ASP H 3.180 . 4.560 4.309 3.797 4.562 0.002 22 0 "[ . 1 . 2 .]" 6
39 1 13 ILE MD 1 15 SER H 2.970 . 4.140 4.226 4.157 4.375 0.235 6 0 "[ . 1 . 2 .]" 6
40 1 12 SER H 1 15 SER QB 2.520 . 3.240 3.320 3.264 3.375 0.135 9 0 "[ . 1 . 2 .]" 6
41 1 39 VAL HA 1 43 SER H 3.180 . 4.560 3.671 3.276 3.851 . 0 0 "[ . 1 . 2 .]" 6
42 1 9 LEU QB 1 12 SER H 3.120 . 4.440 4.392 4.155 4.539 0.099 9 0 "[ . 1 . 2 .]" 6
43 1 43 SER H 1 46 ASN QB 3.700 . 5.600 4.545 4.119 5.411 . 0 0 "[ . 1 . 2 .]" 6
44 1 42 GLU QB 1 46 ASN QD 4.230 . 6.660 3.677 1.951 4.487 . 0 0 "[ . 1 . 2 .]" 6
45 1 32 ASN H 1 33 GLU QB 3.780 . 5.760 4.172 3.448 5.034 . 0 0 "[ . 1 . 2 .]" 6
46 1 16 ALA MB 1 46 ASN QD 4.400 . 7.000 5.811 5.078 6.724 . 0 0 "[ . 1 . 2 .]" 6
47 1 24 ALA H 1 26 PHE QE 4.060 . 6.320 5.438 5.133 5.951 . 0 0 "[ . 1 . 2 .]" 6
48 1 16 ALA H 1 46 ASN H 3.960 . 6.120 4.030 3.541 5.085 . 0 0 "[ . 1 . 2 .]" 6
49 1 26 PHE H 1 27 GLU QG 4.080 . 6.360 5.197 4.709 5.520 . 0 0 "[ . 1 . 2 .]" 6
50 1 7 ASN H 1 12 SER QB 3.790 . 5.780 6.248 4.716 6.940 1.160 5 17 "[** *+ ** ** *** ***2*- *]" 6
51 1 31 ILE MG 1 32 ASN QD 4.240 . 6.680 2.840 1.828 4.015 . 0 0 "[ . 1 . 2 .]" 6
52 1 26 PHE HA 1 32 ASN H 4.080 . 6.360 4.371 3.751 5.275 . 0 0 "[ . 1 . 2 .]" 6
53 1 29 ILE HA 1 32 ASN H 3.860 . 5.920 5.183 3.981 6.178 0.258 1 0 "[ . 1 . 2 .]" 6
54 1 44 LEU QB 1 49 VAL H 3.720 . 5.640 4.941 4.488 5.243 . 0 0 "[ . 1 . 2 .]" 6
55 1 25 VAL H 1 26 PHE QB 3.470 . 5.140 4.052 3.945 4.280 . 0 0 "[ . 1 . 2 .]" 6
56 1 42 GLU QB 1 46 ASN H 3.750 . 5.700 3.761 3.533 4.204 . 0 0 "[ . 1 . 2 .]" 6
57 1 23 LEU QB 1 25 VAL H 3.670 . 5.540 4.075 3.963 4.180 . 0 0 "[ . 1 . 2 .]" 6
58 1 21 ALA MB 1 25 VAL H 3.030 . 4.260 3.010 2.904 3.169 . 0 0 "[ . 1 . 2 .]" 6
59 1 36 HIS HA 1 39 VAL H 3.490 . 5.180 2.910 2.563 3.649 . 0 0 "[ . 1 . 2 .]" 6
60 1 51 VAL HA 1 54 TYR H 2.930 . 4.060 3.863 3.653 4.068 0.008 20 0 "[ . 1 . 2 .]" 6
61 1 53 LEU HA 1 54 TYR H 2.670 . 3.540 3.424 3.368 3.508 . 0 0 "[ . 1 . 2 .]" 6
62 1 16 ALA H 1 17 VAL H 2.480 . 3.160 1.892 1.745 2.060 0.055 9 0 "[ . 1 . 2 .]" 6
63 1 12 SER H 1 13 ILE MD 3.100 . 4.400 3.945 3.550 4.472 0.072 8 0 "[ . 1 . 2 .]" 6
64 1 30 HIS HD2 1 36 HIS H 3.450 . 5.100 2.379 1.747 3.296 0.053 24 0 "[ . 1 . 2 .]" 6
65 1 10 PHE QB 1 12 SER H 3.430 . 5.060 4.570 4.123 4.690 . 0 0 "[ . 1 . 2 .]" 6
66 1 14 ILE HA 1 17 VAL H 2.570 . 3.340 2.613 2.203 2.788 . 0 0 "[ . 1 . 2 .]" 6
67 1 54 TYR H 1 55 LYS QG 3.780 . 5.760 4.677 3.948 5.330 . 0 0 "[ . 1 . 2 .]" 6
68 1 19 PRO HA 1 22 VAL H 2.890 . 3.980 3.237 3.049 3.911 . 0 0 "[ . 1 . 2 .]" 6
69 1 20 VAL H 1 23 LEU QB 3.540 . 5.280 4.373 4.214 4.668 . 0 0 "[ . 1 . 2 .]" 6
70 1 10 PHE QB 1 11 GLY H 2.590 . 3.380 3.115 2.459 3.424 0.044 20 0 "[ . 1 . 2 .]" 6
71 1 3 LYS H 1 3 LYS QB 2.550 . 3.300 2.897 2.063 3.336 0.036 20 0 "[ . 1 . 2 .]" 6
72 1 7 ASN QB 1 8 LEU H 2.670 . 3.540 3.673 1.976 3.944 0.404 15 0 "[ . 1 . 2 .]" 6
73 1 13 ILE QG 1 16 ALA H 3.840 . 5.880 4.806 4.649 5.107 . 0 0 "[ . 1 . 2 .]" 6
74 1 8 LEU HA 1 11 GLY H 3.190 . 4.580 3.253 2.603 3.923 . 0 0 "[ . 1 . 2 .]" 6
75 1 3 LYS HA 1 4 LYS H 2.170 . 2.540 2.358 2.093 2.611 0.071 23 0 "[ . 1 . 2 .]" 6
76 1 13 ILE HA 1 16 ALA H 2.610 . 3.420 3.103 2.928 3.230 . 0 0 "[ . 1 . 2 .]" 6
77 1 9 LEU H 1 12 SER QB 3.600 . 5.400 4.586 3.985 5.078 . 0 0 "[ . 1 . 2 .]" 6
78 1 11 GLY H 1 13 ILE HB 3.540 . 5.280 4.598 4.370 4.855 . 0 0 "[ . 1 . 2 .]" 6
79 1 8 LEU HA 1 9 LEU H 2.320 . 2.840 2.459 2.093 2.747 . 0 0 "[ . 1 . 2 .]" 6
80 1 7 ASN QB 1 11 GLY H 3.750 . 5.700 5.539 2.581 6.706 1.006 22 11 "[ * * *1- ** ** 2 +* *]" 6
81 1 40 PHE H 1 41 GLY H 2.950 . 4.100 2.567 2.228 3.293 . 0 0 "[ . 1 . 2 .]" 6
82 1 6 ASP QB 1 8 LEU H 3.500 . 5.200 4.977 2.920 5.902 0.702 1 6 "[+ - * 1 * *. 2 * .]" 6
83 1 10 PHE QR 1 11 GLY H 3.380 . 4.960 4.043 3.200 4.378 . 0 0 "[ . 1 . 2 .]" 6
stop_
save_
save_distance_constraint_statistics_7
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 7
_Distance_constraint_stats_list.Constraint_count 152
_Distance_constraint_stats_list.Viol_count 428
_Distance_constraint_stats_list.Viol_total 808.943
_Distance_constraint_stats_list.Viol_max 1.100
_Distance_constraint_stats_list.Viol_rms 0.0410
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0085
_Distance_constraint_stats_list.Viol_average_violations_only 0.0756
_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 2 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 5 LYS 0.490 0.075 3 0 "[ . 1 . 2 .]"
1 7 ASN 3.672 0.516 23 1 "[ . 1 . 2 + .]"
1 8 LEU 3.636 0.516 23 1 "[ . 1 . 2 + .]"
1 9 LEU 0.672 0.407 6 0 "[ . 1 . 2 .]"
1 10 PHE 3.092 0.229 16 0 "[ . 1 . 2 .]"
1 11 GLY 4.471 0.220 8 0 "[ . 1 . 2 .]"
1 12 SER 0.475 0.147 12 0 "[ . 1 . 2 .]"
1 13 ILE 1.126 0.147 12 0 "[ . 1 . 2 .]"
1 14 ILE 4.016 0.141 10 0 "[ . 1 . 2 .]"
1 16 ALA 1.499 0.220 23 0 "[ . 1 . 2 .]"
1 17 VAL 2.686 0.220 23 0 "[ . 1 . 2 .]"
1 18 ASP 3.912 0.568 20 1 "[ . 1 . + .]"
1 20 VAL 2.002 0.568 20 1 "[ . 1 . + .]"
1 21 ALA 0.764 0.147 17 0 "[ . 1 . 2 .]"
1 22 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ALA 0.361 0.136 15 0 "[ . 1 . 2 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 PHE 0.361 0.136 15 0 "[ . 1 . 2 .]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 30 HIS 0.764 0.196 12 0 "[ . 1 . 2 .]"
1 31 ILE 3.457 0.406 21 0 "[ . 1 . 2 .]"
1 32 ASN 2.096 0.287 12 0 "[ . 1 . 2 .]"
1 33 GLU 0.602 0.166 22 0 "[ . 1 . 2 .]"
1 34 LEU 1.815 0.287 12 0 "[ . 1 . 2 .]"
1 35 LEU 4.734 1.100 13 1 "[ . 1 + . 2 .]"
1 36 HIS 1.742 0.832 13 1 "[ . 1 + . 2 .]"
1 37 ILE 2.805 1.100 13 1 "[ . 1 + . 2 .]"
1 38 LEU 0.842 0.505 24 1 "[ . 1 . 2 +.]"
1 39 VAL 0.142 0.056 17 0 "[ . 1 . 2 .]"
1 40 PHE 0.094 0.078 19 0 "[ . 1 . 2 .]"
1 41 GLY 0.035 0.012 24 0 "[ . 1 . 2 .]"
1 42 GLU 1.225 0.505 24 1 "[ . 1 . 2 +.]"
1 43 SER 1.050 0.109 2 0 "[ . 1 . 2 .]"
1 44 LEU 0.936 0.109 2 0 "[ . 1 . 2 .]"
1 45 LEU 1.450 0.137 23 0 "[ . 1 . 2 .]"
1 46 ASN 0.015 0.013 15 0 "[ . 1 . 2 .]"
1 47 ASP 0.328 0.134 3 0 "[ . 1 . 2 .]"
1 48 ALA 0.621 0.137 23 0 "[ . 1 . 2 .]"
1 49 VAL 0.188 0.047 10 0 "[ . 1 . 2 .]"
1 50 THR 1.286 0.138 12 0 "[ . 1 . 2 .]"
1 51 VAL 1.266 0.138 12 0 "[ . 1 . 2 .]"
1 52 VAL 1.138 0.110 16 0 "[ . 1 . 2 .]"
1 53 LEU 1.138 0.110 16 0 "[ . 1 . 2 .]"
1 54 TYR 0.874 0.117 18 0 "[ . 1 . 2 .]"
1 55 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 56 LYS 0.716 0.117 18 0 "[ . 1 . 2 .]"
1 57 LYS 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 35 LEU H 1 36 HIS H 2.960 . 4.120 2.495 2.235 2.788 . 0 0 "[ . 1 . 2 .]" 7
2 1 12 SER H 1 13 ILE HB 2.980 . 4.160 4.115 3.862 4.307 0.147 12 0 "[ . 1 . 2 .]" 7
3 1 13 ILE QG 1 14 ILE H 3.390 . 4.980 3.885 3.519 4.116 . 0 0 "[ . 1 . 2 .]" 7
4 1 8 LEU HG 1 11 GLY H 3.240 . 4.680 3.647 1.821 4.885 0.205 24 0 "[ . 1 . 2 .]" 7
5 1 36 HIS H 1 37 ILE HA 3.860 . 5.920 4.957 4.689 5.495 . 0 0 "[ . 1 . 2 .]" 7
6 1 8 LEU QB 1 11 GLY H 3.150 . 4.500 3.701 2.317 4.665 0.165 4 0 "[ . 1 . 2 .]" 7
7 1 48 ALA MB 1 49 VAL H 2.780 . 3.760 3.233 3.026 3.302 . 0 0 "[ . 1 . 2 .]" 7
8 1 36 HIS H 1 37 ILE HB 3.270 . 4.740 4.486 4.053 5.572 0.832 13 1 "[ . 1 + . 2 .]" 7
9 1 18 ASP H 1 20 VAL H 3.620 . 5.440 5.206 2.996 5.556 0.116 15 0 "[ . 1 . 2 .]" 7
10 1 11 GLY H 1 14 ILE QG 3.620 . 5.440 5.220 5.061 5.451 0.011 9 0 "[ . 1 . 2 .]" 7
11 1 36 HIS H 1 37 ILE H 2.940 . 4.080 2.538 2.149 3.013 . 0 0 "[ . 1 . 2 .]" 7
12 1 49 VAL H 1 51 VAL H 3.620 . 5.440 3.575 3.257 3.863 . 0 0 "[ . 1 . 2 .]" 7
13 1 17 VAL H 1 18 ASP HA 3.910 . 6.020 5.617 4.549 6.232 0.212 9 0 "[ . 1 . 2 .]" 7
14 1 48 ALA HA 1 49 VAL H 2.870 . 3.940 3.302 3.264 3.409 . 0 0 "[ . 1 . 2 .]" 7
15 1 33 GLU HA 1 36 HIS H 3.310 . 4.820 4.235 2.980 4.986 0.166 22 0 "[ . 1 . 2 .]" 7
16 1 46 ASN HA 1 49 VAL H 3.100 . 4.400 3.652 3.404 3.812 . 0 0 "[ . 1 . 2 .]" 7
17 1 18 ASP QB 1 22 VAL H 3.610 . 5.420 4.188 3.619 5.182 . 0 0 "[ . 1 . 2 .]" 7
18 1 2 SER HA 1 3 LYS H 3.070 . 4.340 2.809 2.171 3.575 . 0 0 "[ . 1 . 2 .]" 7
19 1 3 LYS H 1 3 LYS QG 2.920 . 4.040 2.870 2.151 3.929 . 0 0 "[ . 1 . 2 .]" 7
20 1 46 ASN H 1 48 ALA MB 3.750 . 5.700 4.831 4.660 5.280 . 0 0 "[ . 1 . 2 .]" 7
21 1 54 TYR H 1 55 LYS QB 3.680 . 5.560 4.692 4.003 5.094 . 0 0 "[ . 1 . 2 .]" 7
22 1 53 LEU QB 1 54 TYR H 2.630 . 3.460 2.159 1.896 2.331 . 0 0 "[ . 1 . 2 .]" 7
23 1 14 ILE H 1 17 VAL H 3.690 . 5.580 4.847 4.398 5.190 . 0 0 "[ . 1 . 2 .]" 7
24 1 11 GLY QA 1 14 ILE H 3.410 . 5.020 4.940 4.572 5.082 0.062 10 0 "[ . 1 . 2 .]" 7
25 1 50 THR HA 1 54 TYR H 3.230 . 4.660 4.505 4.168 4.700 0.040 2 0 "[ . 1 . 2 .]" 7
26 1 9 LEU HA 1 12 SER H 3.260 . 4.720 3.733 3.201 4.047 . 0 0 "[ . 1 . 2 .]" 7
27 1 18 ASP HA 1 20 VAL H 3.140 . 4.480 3.853 3.366 5.048 0.568 20 1 "[ . 1 . + .]" 7
28 1 18 ASP H 1 21 ALA MB 3.190 . 4.580 3.934 1.969 4.727 0.147 17 0 "[ . 1 . 2 .]" 7
29 1 18 ASP QB 1 20 VAL H 3.580 . 5.360 3.256 2.460 4.587 . 0 0 "[ . 1 . 2 .]" 7
30 1 10 PHE QB 1 14 ILE H 3.720 . 5.640 4.490 3.695 4.890 . 0 0 "[ . 1 . 2 .]" 7
31 1 20 VAL H 1 22 VAL H 3.050 . 4.300 3.731 3.360 3.939 . 0 0 "[ . 1 . 2 .]" 7
32 1 26 PHE H 1 27 GLU QG 4.080 . 6.360 5.643 5.188 6.120 . 0 0 "[ . 1 . 2 .]" 7
33 1 27 GLU H 1 28 GLU H 3.650 . 5.500 2.552 2.251 2.755 . 0 0 "[ . 1 . 2 .]" 7
34 1 42 GLU H 1 44 LEU H 3.710 . 5.620 3.919 3.559 4.999 . 0 0 "[ . 1 . 2 .]" 7
35 1 41 GLY H 1 42 GLU QB 3.420 . 5.040 4.595 4.281 5.044 0.004 2 0 "[ . 1 . 2 .]" 7
36 1 32 ASN H 1 33 GLU QG 4.030 . 6.260 5.234 3.625 6.400 0.140 5 0 "[ . 1 . 2 .]" 7
37 1 34 LEU H 1 37 ILE QG 4.050 . 6.300 5.939 4.883 6.419 0.119 6 0 "[ . 1 . 2 .]" 7
38 1 17 VAL H 1 18 ASP QB 4.170 . 6.540 5.315 4.006 5.841 . 0 0 "[ . 1 . 2 .]" 7
39 1 7 ASN HA 1 10 PHE H 4.150 . 6.500 5.665 3.382 6.729 0.229 16 0 "[ . 1 . 2 .]" 7
40 1 10 PHE H 1 14 ILE QG 3.960 . 6.120 4.758 4.238 5.224 . 0 0 "[ . 1 . 2 .]" 7
41 1 2 SER H 1 3 LYS QB 4.170 . 6.540 4.968 3.495 6.303 . 0 0 "[ . 1 . 2 .]" 7
42 1 8 LEU H 1 12 SER QB 3.820 . 5.840 4.970 4.471 5.523 . 0 0 "[ . 1 . 2 .]" 7
43 1 57 LYS H 1 57 LYS QG 2.670 . 3.540 2.408 1.809 3.450 . 0 0 "[ . 1 . 2 .]" 7
44 1 46 ASN QD 1 47 ASP H 3.870 . 5.940 3.337 1.821 4.917 . 0 0 "[ . 1 . 2 .]" 7
45 1 48 ALA H 1 49 VAL HA 3.740 . 5.680 4.844 4.709 5.087 . 0 0 "[ . 1 . 2 .]" 7
46 1 45 LEU HG 1 49 VAL H 4.320 . 6.840 6.134 5.532 6.856 0.016 15 0 "[ . 1 . 2 .]" 7
47 1 40 PHE QD 1 41 GLY H 3.810 . 5.820 2.696 2.065 4.086 . 0 0 "[ . 1 . 2 .]" 7
48 1 46 ASN QD 1 50 THR HG1 4.400 . 7.000 5.405 4.329 6.570 . 0 0 "[ . 1 . 2 .]" 7
49 1 46 ASN H 1 46 ASN QD 4.120 . 6.440 2.751 1.844 3.384 . 0 0 "[ . 1 . 2 .]" 7
50 1 23 LEU HA 1 26 PHE H 3.010 . 4.220 2.827 2.606 3.147 . 0 0 "[ . 1 . 2 .]" 7
51 1 24 ALA HA 1 26 PHE H 3.290 . 4.780 4.559 4.201 4.916 0.136 15 0 "[ . 1 . 2 .]" 7
52 1 53 LEU H 1 54 TYR QB 3.850 . 5.900 5.341 5.195 5.579 . 0 0 "[ . 1 . 2 .]" 7
53 1 36 HIS HA 1 37 ILE H 3.970 . 6.140 3.363 3.221 3.518 . 0 0 "[ . 1 . 2 .]" 7
54 1 41 GLY H 1 44 LEU HG 4.190 . 6.580 6.285 5.618 6.592 0.012 24 0 "[ . 1 . 2 .]" 7
55 1 24 ALA H 1 26 PHE QB 4.040 . 6.280 5.058 4.813 5.357 . 0 0 "[ . 1 . 2 .]" 7
56 1 42 GLU H 1 43 SER HA 3.840 . 5.880 5.138 4.811 5.515 . 0 0 "[ . 1 . 2 .]" 7
57 1 36 HIS H 1 37 ILE QG 3.960 . 6.120 5.886 3.394 6.180 0.060 5 0 "[ . 1 . 2 .]" 7
58 1 36 HIS QB 1 38 LEU H 4.030 . 6.260 4.653 4.224 5.230 . 0 0 "[ . 1 . 2 .]" 7
59 1 36 HIS HA 1 38 LEU H 3.870 . 5.940 3.513 3.233 4.240 . 0 0 "[ . 1 . 2 .]" 7
60 1 43 SER HA 1 46 ASN QD 4.310 . 6.820 3.167 1.787 5.094 0.013 15 0 "[ . 1 . 2 .]" 7
61 1 46 ASN HA 1 46 ASN QD 4.110 . 6.420 3.352 2.063 4.101 . 0 0 "[ . 1 . 2 .]" 7
62 1 42 GLU QG 1 46 ASN QD 4.150 . 6.500 4.495 1.896 6.306 . 0 0 "[ . 1 . 2 .]" 7
63 1 45 LEU H 1 46 ASN HA 3.910 . 6.020 5.108 4.940 5.399 . 0 0 "[ . 1 . 2 .]" 7
64 1 41 GLY QA 1 45 LEU H 3.830 . 5.860 4.675 3.914 5.156 . 0 0 "[ . 1 . 2 .]" 7
65 1 43 SER H 1 44 LEU QB 3.190 . 4.580 4.604 4.490 4.689 0.109 2 0 "[ . 1 . 2 .]" 7
66 1 42 GLU QG 1 43 SER H 3.570 . 5.340 3.901 1.764 4.599 0.036 4 0 "[ . 1 . 2 .]" 7
67 1 40 PHE QB 1 43 SER H 3.650 . 5.500 5.200 4.573 5.578 0.078 19 0 "[ . 1 . 2 .]" 7
68 1 12 SER H 1 13 ILE QG 3.440 . 5.080 4.019 3.371 4.514 . 0 0 "[ . 1 . 2 .]" 7
69 1 14 ILE HB 1 17 VAL H 3.610 . 5.420 5.457 5.259 5.561 0.141 10 0 "[ . 1 . 2 .]" 7
70 1 40 PHE HA 1 43 SER H 3.270 . 4.740 3.638 2.927 4.221 . 0 0 "[ . 1 . 2 .]" 7
71 1 43 SER H 1 46 ASN H 3.500 . 5.200 4.683 4.473 5.019 . 0 0 "[ . 1 . 2 .]" 7
72 1 10 PHE HA 1 11 GLY H 2.550 . 3.300 3.365 3.284 3.520 0.220 8 0 "[ . 1 . 2 .]" 7
73 1 9 LEU H 1 11 GLY H 3.130 . 4.460 3.861 3.213 4.422 . 0 0 "[ . 1 . 2 .]" 7
74 1 32 ASN HA 1 32 ASN QD 3.650 . 5.500 2.971 1.894 4.162 . 0 0 "[ . 1 . 2 .]" 7
75 1 11 GLY H 1 14 ILE H 3.280 . 4.760 4.809 4.629 4.901 0.141 15 0 "[ . 1 . 2 .]" 7
76 1 48 ALA HA 1 50 THR H 3.400 . 5.000 4.318 4.178 5.007 0.007 19 0 "[ . 1 . 2 .]" 7
77 1 50 THR H 1 51 VAL H 2.620 . 3.440 2.318 2.228 2.488 . 0 0 "[ . 1 . 2 .]" 7
78 1 48 ALA MB 1 50 THR H 3.410 . 5.020 4.765 4.562 5.030 0.010 19 0 "[ . 1 . 2 .]" 7
79 1 50 THR H 1 50 THR HA 2.610 . 3.420 2.919 2.863 2.927 . 0 0 "[ . 1 . 2 .]" 7
80 1 38 LEU HA 1 41 GLY H 3.430 . 5.060 3.686 3.106 4.537 . 0 0 "[ . 1 . 2 .]" 7
81 1 33 GLU H 1 33 GLU QG 3.770 . 5.740 3.693 2.082 4.336 . 0 0 "[ . 1 . 2 .]" 7
82 1 33 GLU QG 1 34 LEU H 3.810 . 5.820 3.921 1.778 4.637 0.022 19 0 "[ . 1 . 2 .]" 7
83 1 39 VAL QG 1 42 GLU H 3.950 . 6.100 4.521 3.892 4.964 . 0 0 "[ . 1 . 2 .]" 7
84 1 42 GLU H 1 45 LEU QB 3.620 . 5.440 5.309 4.724 5.531 0.091 2 0 "[ . 1 . 2 .]" 7
85 1 47 ASP H 1 47 ASP HA 2.530 . 3.260 2.919 2.900 2.929 . 0 0 "[ . 1 . 2 .]" 7
86 1 23 LEU H 1 24 ALA H 2.810 . 3.820 2.444 2.296 2.661 . 0 0 "[ . 1 . 2 .]" 7
87 1 47 ASP HA 1 51 VAL H 3.540 . 5.280 3.650 3.247 4.009 . 0 0 "[ . 1 . 2 .]" 7
88 1 50 THR HB 1 51 VAL H 2.680 . 3.560 2.992 2.286 3.698 0.138 12 0 "[ . 1 . 2 .]" 7
89 1 16 ALA H 1 17 VAL HB 3.200 . 4.600 4.214 3.408 4.820 0.220 23 0 "[ . 1 . 2 .]" 7
90 1 7 ASN H 1 7 ASN HA 2.360 . 2.920 2.841 2.736 2.954 0.034 11 0 "[ . 1 . 2 .]" 7
91 1 37 ILE QG 1 38 LEU H 3.760 . 5.720 4.073 2.165 4.601 . 0 0 "[ . 1 . 2 .]" 7
92 1 47 ASP H 1 49 VAL HB 3.640 . 5.480 4.960 4.504 5.253 . 0 0 "[ . 1 . 2 .]" 7
93 1 34 LEU H 1 34 LEU QB 3.590 . 5.380 2.881 2.337 3.089 . 0 0 "[ . 1 . 2 .]" 7
94 1 47 ASP H 1 48 ALA MB 3.140 . 4.480 4.018 3.942 4.084 . 0 0 "[ . 1 . 2 .]" 7
95 1 34 LEU H 1 34 LEU HG 3.080 . 4.360 2.115 1.786 2.798 0.014 17 0 "[ . 1 . 2 .]" 7
96 1 33 GLU H 1 34 LEU HG 3.800 . 5.800 4.059 3.038 5.363 . 0 0 "[ . 1 . 2 .]" 7
97 1 5 LYS QD 1 8 LEU H 2.310 . 2.820 2.481 1.761 2.895 0.075 3 0 "[ . 1 . 2 .]" 7
98 1 45 LEU HG 1 47 ASP H 3.540 . 5.280 4.772 4.375 5.414 0.134 3 0 "[ . 1 . 2 .]" 7
99 1 13 ILE H 1 14 ILE QG 3.230 . 4.660 4.162 4.060 4.287 . 0 0 "[ . 1 . 2 .]" 7
100 1 48 ALA H 1 50 THR H 3.030 . 4.260 3.876 3.526 4.260 . 0 0 "[ . 1 . 2 .]" 7
101 1 47 ASP HA 1 48 ALA H 2.860 . 3.920 3.431 3.332 3.542 . 0 0 "[ . 1 . 2 .]" 7
102 1 10 PHE H 1 13 ILE H 3.200 . 4.600 4.540 4.149 4.705 0.105 24 0 "[ . 1 . 2 .]" 7
103 1 47 ASP QB 1 48 ALA H 2.880 . 3.960 3.084 2.548 3.739 . 0 0 "[ . 1 . 2 .]" 7
104 1 48 ALA H 1 49 VAL HB 3.370 . 4.940 4.132 3.909 4.535 . 0 0 "[ . 1 . 2 .]" 7
105 1 41 GLY QA 1 44 LEU H 3.370 . 4.940 3.952 3.363 4.290 . 0 0 "[ . 1 . 2 .]" 7
106 1 43 SER QB 1 44 LEU H 2.890 . 3.980 3.058 2.139 3.745 . 0 0 "[ . 1 . 2 .]" 7
107 1 7 ASN HA 1 9 LEU H 3.580 . 5.360 4.313 2.814 5.767 0.407 6 0 "[ . 1 . 2 .]" 7
108 1 45 LEU HG 1 48 ALA H 3.580 . 5.360 5.230 5.071 5.497 0.137 23 0 "[ . 1 . 2 .]" 7
109 1 39 VAL HB 1 40 PHE H 3.240 . 4.680 2.728 2.361 3.390 . 0 0 "[ . 1 . 2 .]" 7
110 1 40 PHE QB 1 42 GLU H 3.700 . 5.600 5.003 4.044 5.343 . 0 0 "[ . 1 . 2 .]" 7
111 1 38 LEU HA 1 42 GLU H 3.260 . 4.720 4.324 3.498 5.225 0.505 24 1 "[ . 1 . 2 +.]" 7
112 1 44 LEU H 1 46 ASN H 3.540 . 5.280 4.030 3.541 5.085 . 0 0 "[ . 1 . 2 .]" 7
113 1 39 VAL HA 1 40 PHE H 3.310 . 4.820 3.521 3.454 3.577 . 0 0 "[ . 1 . 2 .]" 7
114 1 40 PHE H 1 40 PHE QB 2.820 . 3.840 2.098 2.021 2.209 . 0 0 "[ . 1 . 2 .]" 7
115 1 31 ILE QG 1 32 ASN H 3.950 . 6.100 4.126 2.667 4.857 . 0 0 "[ . 1 . 2 .]" 7
116 1 31 ILE HA 1 35 LEU H 4.540 . 7.280 7.112 5.208 7.686 0.406 21 0 "[ . 1 . 2 .]" 7
117 1 18 ASP QB 1 21 ALA H 3.300 . 4.800 2.631 1.938 4.944 0.144 23 0 "[ . 1 . 2 .]" 7
118 1 32 ASN H 1 33 GLU QB 3.660 . 5.520 4.242 3.475 5.158 . 0 0 "[ . 1 . 2 .]" 7
119 1 45 LEU H 1 46 ASN QB 3.550 . 5.300 4.212 3.938 4.907 . 0 0 "[ . 1 . 2 .]" 7
120 1 32 ASN H 1 34 LEU HG 3.630 . 5.460 5.366 4.202 5.747 0.287 12 0 "[ . 1 . 2 .]" 7
121 1 10 PHE H 1 13 ILE HB 3.700 . 5.600 5.215 4.681 5.447 . 0 0 "[ . 1 . 2 .]" 7
122 1 52 VAL HB 1 53 LEU H 2.820 . 3.840 3.882 3.804 3.950 0.110 16 0 "[ . 1 . 2 .]" 7
123 1 54 TYR H 1 56 LYS H 3.440 . 5.080 4.075 3.709 4.324 . 0 0 "[ . 1 . 2 .]" 7
124 1 53 LEU H 1 54 TYR H 2.550 . 3.300 2.852 2.542 3.089 . 0 0 "[ . 1 . 2 .]" 7
125 1 38 LEU HG 1 39 VAL H 3.410 . 5.020 4.414 3.463 5.076 0.056 17 0 "[ . 1 . 2 .]" 7
126 1 39 VAL H 1 40 PHE QB 3.590 . 5.380 4.330 4.062 4.551 . 0 0 "[ . 1 . 2 .]" 7
127 1 52 VAL H 1 52 VAL HA 2.510 . 3.220 2.854 2.737 2.921 . 0 0 "[ . 1 . 2 .]" 7
128 1 35 LEU H 1 36 HIS QB 3.410 . 5.020 4.633 4.248 5.120 0.100 10 0 "[ . 1 . 2 .]" 7
129 1 35 LEU H 1 35 LEU QB 2.770 . 3.740 2.614 2.245 3.003 . 0 0 "[ . 1 . 2 .]" 7
130 1 35 LEU H 1 37 ILE HB 3.500 . 5.200 4.490 3.772 6.300 1.100 13 1 "[ . 1 + . 2 .]" 7
131 1 14 ILE H 1 16 ALA H 2.880 . 3.960 4.006 3.950 4.069 0.109 9 0 "[ . 1 . 2 .]" 7
132 1 22 VAL QG 1 23 LEU H 3.060 . 4.320 3.359 3.256 3.513 . 0 0 "[ . 1 . 2 .]" 7
133 1 24 ALA H 1 25 VAL QG 3.250 . 4.700 3.543 3.217 3.956 . 0 0 "[ . 1 . 2 .]" 7
134 1 7 ASN H 1 8 LEU QD 3.450 . 5.100 4.389 2.987 5.222 0.122 10 0 "[ . 1 . 2 .]" 7
135 1 10 PHE H 1 14 ILE H 3.690 . 5.580 5.075 4.813 5.232 . 0 0 "[ . 1 . 2 .]" 7
136 1 8 LEU H 1 8 LEU HA 2.390 . 2.980 2.740 2.308 2.931 . 0 0 "[ . 1 . 2 .]" 7
137 1 10 PHE H 1 12 SER H 3.180 . 4.560 3.767 3.285 4.176 . 0 0 "[ . 1 . 2 .]" 7
138 1 49 VAL HA 1 51 VAL H 3.370 . 4.940 4.769 4.386 4.987 0.047 10 0 "[ . 1 . 2 .]" 7
139 1 54 TYR QB 1 56 LYS H 3.520 . 5.240 3.706 3.133 4.634 . 0 0 "[ . 1 . 2 .]" 7
140 1 50 THR HA 1 51 VAL H 2.720 . 3.640 3.532 3.492 3.556 . 0 0 "[ . 1 . 2 .]" 7
141 1 51 VAL H 1 51 VAL HB 2.440 . 3.080 2.407 2.219 2.646 . 0 0 "[ . 1 . 2 .]" 7
142 1 5 LYS QD 1 7 ASN H 3.090 . 4.380 2.785 1.739 4.197 0.061 5 0 "[ . 1 . 2 .]" 7
143 1 50 THR HA 1 53 LEU H 3.360 . 4.920 3.572 3.109 4.073 . 0 0 "[ . 1 . 2 .]" 7
144 1 49 VAL HA 1 53 LEU H 3.430 . 5.060 4.411 4.273 4.603 . 0 0 "[ . 1 . 2 .]" 7
145 1 30 HIS QB 1 32 ASN H 3.600 . 5.400 4.424 2.774 5.519 0.119 9 0 "[ . 1 . 2 .]" 7
146 1 10 PHE H 1 11 GLY QA 3.520 . 5.240 4.186 3.934 4.526 . 0 0 "[ . 1 . 2 .]" 7
147 1 22 VAL HA 1 26 PHE H 3.530 . 5.260 4.801 4.123 5.224 . 0 0 "[ . 1 . 2 .]" 7
148 1 32 ASN H 1 32 ASN QD 3.790 . 5.780 4.233 3.027 5.235 . 0 0 "[ . 1 . 2 .]" 7
149 1 7 ASN HA 1 8 LEU H 2.370 . 2.940 2.812 2.140 3.456 0.516 23 1 "[ . 1 . 2 + .]" 7
150 1 54 TYR HA 1 56 LYS H 3.170 . 4.540 4.441 3.456 4.657 0.117 18 0 "[ . 1 . 2 .]" 7
151 1 30 HIS HA 1 32 ASN H 3.710 . 5.620 4.822 3.915 5.816 0.196 12 0 "[ . 1 . 2 .]" 7
152 1 10 PHE H 1 10 PHE HA 2.480 . 3.160 2.909 2.807 2.963 . 0 0 "[ . 1 . 2 .]" 7
stop_
save_
save_distance_constraint_statistics_8
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 8
_Distance_constraint_stats_list.Constraint_count 35
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 154.376
_Distance_constraint_stats_list.Viol_max 0.325
_Distance_constraint_stats_list.Viol_rms 0.0328
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0071
_Distance_constraint_stats_list.Viol_average_violations_only 0.0858
_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 3 LYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 9 LEU 0.626 0.207 1 0 "[ . 1 . 2 .]"
1 10 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 SER 0.626 0.207 1 0 "[ . 1 . 2 .]"
1 13 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 14 ILE 0.066 0.066 21 0 "[ . 1 . 2 .]"
1 17 VAL 0.260 0.120 19 0 "[ . 1 . 2 .]"
1 19 PRO 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 21 ALA 1.857 0.177 25 0 "[ . 1 . 2 .]"
1 22 VAL 0.194 0.120 19 0 "[ . 1 . 2 .]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 24 ALA 2.109 0.177 25 0 "[ . 1 . 2 .]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 28 GLU 0.252 0.093 15 0 "[ . 1 . 2 .]"
1 29 ILE 0.155 0.155 7 0 "[ . 1 . 2 .]"
1 31 ILE 0.155 0.155 7 0 "[ . 1 . 2 .]"
1 34 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 35 LEU 0.144 0.137 22 0 "[ . 1 . 2 .]"
1 37 ILE 0.188 0.137 22 0 "[ . 1 . 2 .]"
1 39 VAL 2.837 0.325 18 0 "[ . 1 . 2 .]"
1 40 PHE 2.881 0.325 18 0 "[ . 1 . 2 .]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 49 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 51 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 52 VAL 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 53 LEU 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 54 TYR 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 55 LYS 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 39 VAL HA 1 40 PHE QE 4.840 . 7.880 7.971 7.661 8.205 0.325 18 0 "[ . 1 . 2 .]" 8
2 1 37 ILE HA 1 40 PHE QE 3.950 . 6.100 3.761 2.962 6.144 0.044 23 0 "[ . 1 . 2 .]" 8
3 1 51 VAL HA 1 54 TYR QD 4.260 . 6.720 4.214 3.813 4.930 . 0 0 "[ . 1 . 2 .]" 8
4 1 26 PHE QD 1 27 GLU HA 4.280 . 6.760 5.842 5.554 5.951 . 0 0 "[ . 1 . 2 .]" 8
5 1 54 TYR QD 1 55 LYS QG 4.480 . 7.160 4.847 2.727 6.109 . 0 0 "[ . 1 . 2 .]" 8
6 1 22 VAL HB 1 26 PHE QD 4.400 . 7.000 5.035 3.717 5.954 . 0 0 "[ . 1 . 2 .]" 8
7 1 10 PHE QD 1 14 ILE QG 4.180 . 6.560 2.441 2.232 3.090 . 0 0 "[ . 1 . 2 .]" 8
8 1 9 LEU HG 1 10 PHE QD 4.070 . 6.340 4.474 2.333 5.886 . 0 0 "[ . 1 . 2 .]" 8
9 1 40 PHE QD 1 44 LEU QB 4.470 . 7.140 4.242 2.923 5.842 . 0 0 "[ . 1 . 2 .]" 8
10 1 9 LEU QB 1 10 PHE QD 3.800 . 5.800 3.118 2.263 4.964 . 0 0 "[ . 1 . 2 .]" 8
11 1 39 VAL QG 1 40 PHE QD 4.410 . 7.020 5.018 4.170 5.233 . 0 0 "[ . 1 . 2 .]" 8
12 1 20 VAL QG 1 24 ALA MB 3.890 . 5.980 3.586 2.653 4.517 . 0 0 "[ . 1 . 2 .]" 8
13 1 23 LEU QD 1 24 ALA MB 3.960 . 6.120 4.725 4.480 4.975 . 0 0 "[ . 1 . 2 .]" 8
14 1 24 ALA MB 1 25 VAL HB 3.830 . 5.860 4.984 4.626 5.198 . 0 0 "[ . 1 . 2 .]" 8
15 1 21 ALA MB 1 24 ALA MB 3.270 . 4.740 4.018 3.895 4.182 . 0 0 "[ . 1 . 2 .]" 8
16 1 35 LEU QB 1 37 ILE MG 3.530 . 5.260 5.006 4.625 5.397 0.137 22 0 "[ . 1 . 2 .]" 8
17 1 44 LEU HA 1 44 LEU HG 3.620 . 5.440 3.067 2.331 3.663 . 0 0 "[ . 1 . 2 .]" 8
18 1 3 LYS HA 1 3 LYS QD 3.850 . 5.900 3.770 2.215 4.531 . 0 0 "[ . 1 . 2 .]" 8
19 1 49 VAL QG 1 50 THR HA 3.590 . 5.380 3.350 3.086 3.641 . 0 0 "[ . 1 . 2 .]" 8
20 1 49 VAL QG 1 53 LEU HA 4.050 . 6.300 5.064 4.634 5.274 . 0 0 "[ . 1 . 2 .]" 8
21 1 29 ILE MD 1 31 ILE QG 4.130 . 6.460 5.156 4.212 6.615 0.155 7 0 "[ . 1 . 2 .]" 8
22 1 50 THR HG1 1 52 VAL QG 4.560 . 7.320 4.920 4.724 5.172 . 0 0 "[ . 1 . 2 .]" 8
23 1 14 ILE HA 1 17 VAL QG 3.300 . 4.800 2.650 2.032 4.297 . 0 0 "[ . 1 . 2 .]" 8
24 1 17 VAL HA 1 22 VAL QG 3.210 . 4.620 4.366 3.468 4.740 0.120 19 0 "[ . 1 . 2 .]" 8
25 1 23 LEU HA 1 25 VAL QG 4.180 . 6.560 4.370 4.040 4.886 . 0 0 "[ . 1 . 2 .]" 8
26 1 13 ILE HA 1 13 ILE MG 3.000 . 4.200 2.343 2.248 2.470 . 0 0 "[ . 1 . 2 .]" 8
27 1 19 PRO HA 1 22 VAL QG 3.560 . 5.320 2.745 2.198 3.771 . 0 0 "[ . 1 . 2 .]" 8
28 1 22 VAL QG 1 23 LEU HA 3.930 . 6.060 3.628 3.344 3.968 . 0 0 "[ . 1 . 2 .]" 8
29 1 9 LEU HA 1 12 SER HA 3.860 . 5.920 5.708 4.940 6.127 0.207 1 0 "[ . 1 . 2 .]" 8
30 1 34 LEU HA 1 37 ILE MD 3.850 . 5.900 3.288 2.181 5.276 . 0 0 "[ . 1 . 2 .]" 8
31 1 21 ALA MB 1 24 ALA HA 4.160 . 6.520 6.592 6.476 6.697 0.177 25 0 "[ . 1 . 2 .]" 8
32 1 14 ILE MG 1 17 VAL HB 3.910 . 6.020 4.269 3.294 6.086 0.066 21 0 "[ . 1 . 2 .]" 8
33 1 23 LEU QD 1 27 GLU QB 3.590 . 5.380 4.688 3.856 5.311 . 0 0 "[ . 1 . 2 .]" 8
34 1 24 ALA MB 1 28 GLU QB 4.100 . 6.400 6.235 5.600 6.493 0.093 15 0 "[ . 1 . 2 .]" 8
35 1 13 ILE HB 1 14 ILE MD 3.970 . 6.140 3.935 3.177 4.633 . 0 0 "[ . 1 . 2 .]" 8
stop_
save_
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