NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
570533 |
2m9u   |
19299 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m9u
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 392
_Distance_constraint_stats_list.Viol_count 143
_Distance_constraint_stats_list.Viol_total 209.652
_Distance_constraint_stats_list.Viol_max 0.974
_Distance_constraint_stats_list.Viol_rms 0.0185
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0733
_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 6 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 HIS 0.018 0.018 7 0 "[ . 1 . 2]"
1 9 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 VAL 0.102 0.085 19 0 "[ . 1 . 2]"
1 11 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASP 0.197 0.117 10 0 "[ . 1 . 2]"
1 13 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 VAL 0.609 0.097 14 0 "[ . 1 . 2]"
1 15 TRP 0.279 0.088 1 0 "[ . 1 . 2]"
1 16 VAL 2.705 0.974 14 3 "[ . * +.- 2]"
1 17 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TRP 0.279 0.088 1 0 "[ . 1 . 2]"
1 29 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 2.725 0.974 14 3 "[ . * +.- 2]"
1 33 THR 0.071 0.067 18 0 "[ . 1 . 2]"
1 34 VAL 1.186 0.143 9 0 "[ . 1 . 2]"
1 35 LEU 0.316 0.094 18 0 "[ . 1 . 2]"
1 36 LEU 0.969 0.178 19 0 "[ . 1 . 2]"
1 37 THR 0.315 0.143 9 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ALA 0.097 0.069 18 0 "[ . 1 . 2]"
1 42 LEU 1.475 0.144 12 0 "[ . 1 . 2]"
1 43 LYS 0.969 0.178 19 0 "[ . 1 . 2]"
1 44 VAL 0.864 0.112 6 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 0.102 0.056 20 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 TRP 0.308 0.090 19 0 "[ . 1 . 2]"
1 51 ILE 1.279 0.144 12 0 "[ . 1 . 2]"
1 52 HIS 0.087 0.046 5 0 "[ . 1 . 2]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.087 0.046 5 0 "[ . 1 . 2]"
1 55 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 VAL 0.002 0.002 12 0 "[ . 1 . 2]"
1 57 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.380 0.097 14 0 "[ . 1 . 2]"
1 59 ALA 0.213 0.076 16 0 "[ . 1 . 2]"
1 60 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 65 PRO 0.640 0.134 5 0 "[ . 1 . 2]"
1 69 LEU 0.663 0.134 5 0 "[ . 1 . 2]"
1 70 THR 0.024 0.024 5 0 "[ . 1 . 2]"
1 71 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ARG 0.344 0.113 14 0 "[ . 1 . 2]"
1 73 VAL 0.401 0.094 18 0 "[ . 1 . 2]"
1 74 GLN 1.014 0.157 10 0 "[ . 1 . 2]"
1 75 ARG 0.344 0.113 14 0 "[ . 1 . 2]"
1 78 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 PRO 0.436 0.284 16 0 "[ . 1 . 2]"
1 80 LEU 1.450 0.284 16 0 "[ . 1 . 2]"
1 81 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 85 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 ALA 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 15 TRP HD1 1 59 ALA MB 4.140 . 4.760 3.400 3.109 4.189 . 0 0 "[ . 1 . 2]" 1
2 1 15 TRP HH2 1 28 TRP HZ2 4.960 . 5.700 4.875 4.246 5.656 . 0 0 "[ . 1 . 2]" 1
3 1 15 TRP HZ2 1 28 TRP HH2 3.730 . 4.290 4.212 3.835 4.378 0.088 1 0 "[ . 1 . 2]" 1
4 1 32 TYR QD 1 33 THR H 4.830 . 5.550 3.546 3.243 3.796 . 0 0 "[ . 1 . 2]" 1
5 1 41 ALA MB 1 50 TRP HE3 4.890 . 5.620 4.618 3.927 5.244 . 0 0 "[ . 1 . 2]" 1
6 1 16 VAL HB 1 32 TYR HE1 3.850 . 4.430 3.772 2.880 5.404 0.974 14 3 "[ . * +.- 2]" 1
7 1 16 VAL MG2 1 32 TYR HE2 4.260 . 4.900 3.790 3.427 4.401 . 0 0 "[ . 1 . 2]" 1
8 1 16 VAL MG2 1 32 TYR HE1 4.520 . 5.200 3.951 3.438 4.763 . 0 0 "[ . 1 . 2]" 1
9 1 32 TYR HA 1 32 TYR QD 3.880 . 4.460 3.051 2.812 3.175 . 0 0 "[ . 1 . 2]" 1
10 1 16 VAL HB 1 32 TYR QD 4.470 . 5.140 3.742 3.247 4.279 . 0 0 "[ . 1 . 2]" 1
11 1 32 TYR QD 1 44 VAL HB 4.920 . 5.660 4.183 3.677 4.691 . 0 0 "[ . 1 . 2]" 1
12 1 16 VAL MG2 1 32 TYR QD 4.310 . 4.960 2.870 2.738 2.981 . 0 0 "[ . 1 . 2]" 1
13 1 32 TYR QD 1 44 VAL QG 4.340 . 4.990 2.342 1.824 2.690 . 0 0 "[ . 1 . 2]" 1
14 1 29 LYS HA 1 30 GLY H 3.420 . 3.930 2.338 2.246 2.458 . 0 0 "[ . 1 . 2]" 1
15 1 36 LEU HA 1 37 THR H 3.070 . 3.530 2.256 2.154 2.399 . 0 0 "[ . 1 . 2]" 1
16 1 36 LEU HB2 1 37 THR H 4.210 . 4.840 4.085 3.951 4.257 . 0 0 "[ . 1 . 2]" 1
17 1 37 THR H 1 37 THR MG 3.860 . 4.440 3.075 2.671 3.932 . 0 0 "[ . 1 . 2]" 1
18 1 36 LEU MD2 1 37 THR H 4.140 . 4.760 4.212 3.951 4.426 . 0 0 "[ . 1 . 2]" 1
19 1 36 LEU MD1 1 37 THR H 4.220 . 4.850 2.258 1.898 2.698 . 0 0 "[ . 1 . 2]" 1
20 1 45 ASP HA 1 46 GLY H 3.230 . 3.710 2.204 2.143 2.280 . 0 0 "[ . 1 . 2]" 1
21 1 45 ASP HB3 1 46 GLY H 4.300 . 4.950 4.151 3.922 4.381 . 0 0 "[ . 1 . 2]" 1
22 1 35 LEU MD1 1 46 GLY H 4.750 . 5.460 4.351 3.578 4.960 . 0 0 "[ . 1 . 2]" 1
23 1 12 ASP HA 1 13 THR H 3.210 . 3.690 2.200 2.171 2.245 . 0 0 "[ . 1 . 2]" 1
24 1 13 THR H 1 13 THR HB 3.790 . 4.360 2.550 2.435 2.732 . 0 0 "[ . 1 . 2]" 1
25 1 12 ASP HB3 1 13 THR H 4.540 . 5.220 4.320 4.021 4.479 . 0 0 "[ . 1 . 2]" 1
26 1 12 ASP HB2 1 13 THR H 4.540 . 5.220 4.441 4.217 4.567 . 0 0 "[ . 1 . 2]" 1
27 1 13 THR H 1 13 THR MG 4.370 . 5.030 3.806 3.785 3.843 . 0 0 "[ . 1 . 2]" 1
28 1 13 THR H 1 34 VAL MG2 5.150 . 5.920 5.502 4.956 5.861 . 0 0 "[ . 1 . 2]" 1
29 1 38 THR H 1 41 ALA H 4.330 . 4.980 3.735 3.532 3.971 . 0 0 "[ . 1 . 2]" 1
30 1 37 THR HA 1 38 THR H 3.180 . 3.660 2.181 2.079 2.278 . 0 0 "[ . 1 . 2]" 1
31 1 37 THR HB 1 38 THR H 3.700 . 4.260 3.268 2.362 4.208 . 0 0 "[ . 1 . 2]" 1
32 1 37 THR MG 1 38 THR H 4.070 . 4.680 3.727 2.369 4.075 . 0 0 "[ . 1 . 2]" 1
33 1 38 THR H 1 38 THR MG 3.880 . 4.460 3.384 2.903 3.950 . 0 0 "[ . 1 . 2]" 1
34 1 54 ALA HA 1 56 VAL H 4.200 . 4.830 3.616 3.180 3.890 . 0 0 "[ . 1 . 2]" 1
35 1 55 HIS HB2 1 56 VAL H 4.490 . 5.160 3.750 3.132 4.049 . 0 0 "[ . 1 . 2]" 1
36 1 56 VAL H 1 56 VAL HB 3.640 . 4.190 2.720 2.492 2.868 . 0 0 "[ . 1 . 2]" 1
37 1 56 VAL H 1 56 VAL MG2 3.730 . 4.290 2.704 2.390 3.028 . 0 0 "[ . 1 . 2]" 1
38 1 56 VAL H 1 56 VAL MG1 4.010 . 4.610 3.920 3.816 3.990 . 0 0 "[ . 1 . 2]" 1
39 1 6 HIS HA 1 7 SER H 3.540 . 4.070 2.296 2.131 3.475 . 0 0 "[ . 1 . 2]" 1
40 1 11 GLY H 1 35 LEU HA 3.720 . 4.280 2.670 2.191 3.059 . 0 0 "[ . 1 . 2]" 1
41 1 10 VAL HA 1 11 GLY H 3.090 . 3.550 2.216 2.153 2.336 . 0 0 "[ . 1 . 2]" 1
42 1 11 GLY H 1 34 VAL HB 4.530 . 5.210 4.811 4.548 5.092 . 0 0 "[ . 1 . 2]" 1
43 1 10 VAL MG2 1 11 GLY H 4.110 . 4.730 3.906 3.217 4.346 . 0 0 "[ . 1 . 2]" 1
44 1 10 VAL MG1 1 11 GLY H 4.060 . 4.670 3.993 3.811 4.255 . 0 0 "[ . 1 . 2]" 1
45 1 11 GLY H 1 35 LEU MD2 3.970 . 4.570 2.088 1.829 2.545 . 0 0 "[ . 1 . 2]" 1
46 1 42 LEU H 1 50 TRP HB2 4.900 . 5.640 5.304 4.622 5.730 0.090 19 0 "[ . 1 . 2]" 1
47 1 42 LEU H 1 51 ILE HB 4.900 . 5.640 3.857 3.431 4.085 . 0 0 "[ . 1 . 2]" 1
48 1 41 ALA MB 1 42 LEU H 3.620 . 4.160 3.080 2.482 3.270 . 0 0 "[ . 1 . 2]" 1
49 1 54 ALA H 1 55 HIS H 4.040 . 4.650 2.676 2.565 2.796 . 0 0 "[ . 1 . 2]" 1
50 1 55 HIS H 1 56 VAL H 3.520 . 4.050 2.487 2.278 2.712 . 0 0 "[ . 1 . 2]" 1
51 1 53 ALA HA 1 55 HIS H 4.100 . 4.720 3.772 3.285 4.265 . 0 0 "[ . 1 . 2]" 1
52 1 55 HIS H 1 55 HIS HB3 3.940 . 4.530 3.687 3.620 3.769 . 0 0 "[ . 1 . 2]" 1
53 1 55 HIS H 1 55 HIS HB2 3.660 . 4.210 2.513 2.392 2.651 . 0 0 "[ . 1 . 2]" 1
54 1 52 HIS HB3 1 55 HIS H 4.290 . 4.930 3.977 3.790 4.428 . 0 0 "[ . 1 . 2]" 1
55 1 54 ALA MB 1 55 HIS H 3.740 . 4.300 3.068 2.645 3.446 . 0 0 "[ . 1 . 2]" 1
56 1 35 LEU H 1 36 LEU H 3.180 . 3.660 2.144 1.973 2.289 . 0 0 "[ . 1 . 2]" 1
57 1 34 VAL HA 1 36 LEU H 4.060 . 4.670 3.767 3.512 4.091 . 0 0 "[ . 1 . 2]" 1
58 1 36 LEU H 1 36 LEU HB2 3.940 . 4.530 3.272 2.907 3.462 . 0 0 "[ . 1 . 2]" 1
59 1 35 LEU HG 1 36 LEU H 4.480 . 5.150 4.304 3.994 4.505 . 0 0 "[ . 1 . 2]" 1
60 1 35 LEU HB2 1 36 LEU H 3.850 . 4.430 2.768 2.233 3.190 . 0 0 "[ . 1 . 2]" 1
61 1 35 LEU HB3 1 36 LEU H 4.030 . 4.630 3.849 3.474 4.151 . 0 0 "[ . 1 . 2]" 1
62 1 36 LEU H 1 43 LYS HB2 4.260 . 4.900 4.564 4.259 4.756 . 0 0 "[ . 1 . 2]" 1
63 1 34 VAL MG1 1 36 LEU H 3.430 . 3.940 2.537 2.265 3.019 . 0 0 "[ . 1 . 2]" 1
64 1 36 LEU H 1 43 LYS HB3 4.260 . 4.900 2.846 2.514 3.045 . 0 0 "[ . 1 . 2]" 1
65 1 13 THR HA 1 14 VAL H 3.180 . 3.660 2.133 2.051 2.191 . 0 0 "[ . 1 . 2]" 1
66 1 13 THR HB 1 14 VAL H 4.360 . 5.010 4.321 4.205 4.388 . 0 0 "[ . 1 . 2]" 1
67 1 13 THR MG 1 14 VAL H 4.030 . 4.630 3.062 2.764 3.299 . 0 0 "[ . 1 . 2]" 1
68 1 14 VAL H 1 59 ALA MB 4.430 . 5.090 3.686 3.336 5.155 0.065 4 0 "[ . 1 . 2]" 1
69 1 14 VAL H 1 14 VAL MG2 3.350 . 3.850 2.313 2.203 2.445 . 0 0 "[ . 1 . 2]" 1
70 1 32 TYR HA 1 33 THR H 3.240 . 3.730 2.483 2.284 2.609 . 0 0 "[ . 1 . 2]" 1
71 1 33 THR H 1 33 THR HB 3.690 . 4.240 3.752 2.457 3.900 . 0 0 "[ . 1 . 2]" 1
72 1 33 THR H 1 45 ASP HB3 4.140 . 4.760 3.455 2.645 4.314 . 0 0 "[ . 1 . 2]" 1
73 1 33 THR H 1 44 VAL HB 5.140 . 5.910 5.151 4.796 5.914 0.004 7 0 "[ . 1 . 2]" 1
74 1 33 THR H 1 44 VAL QG 5.170 . 5.950 2.304 1.840 2.979 . 0 0 "[ . 1 . 2]" 1
75 1 15 TRP HA 1 16 VAL H 3.420 . 3.930 2.295 2.178 2.388 . 0 0 "[ . 1 . 2]" 1
76 1 16 VAL H 1 16 VAL HB 3.980 . 4.580 2.619 2.529 2.738 . 0 0 "[ . 1 . 2]" 1
77 1 16 VAL H 1 16 VAL MG2 3.820 . 4.390 2.753 2.574 2.910 . 0 0 "[ . 1 . 2]" 1
78 1 43 LYS HA 1 44 VAL H 3.510 . 4.040 2.108 2.080 2.128 . 0 0 "[ . 1 . 2]" 1
79 1 44 VAL H 1 47 ILE HG13 4.220 . 4.850 3.439 2.541 4.195 . 0 0 "[ . 1 . 2]" 1
80 1 44 VAL H 1 44 VAL QG 3.480 . 4.000 2.438 2.222 2.624 . 0 0 "[ . 1 . 2]" 1
81 1 50 TRP H 1 50 TRP HB2 3.390 . 3.900 2.865 2.758 2.967 . 0 0 "[ . 1 . 2]" 1
82 1 49 ALA MB 1 50 TRP H 3.390 . 3.900 2.327 2.246 2.518 . 0 0 "[ . 1 . 2]" 1
83 1 50 TRP H 1 51 ILE MD 4.350 . 5.000 4.707 4.449 5.019 0.019 16 0 "[ . 1 . 2]" 1
84 1 14 VAL H 1 32 TYR H 3.710 . 4.270 3.525 2.983 3.815 . 0 0 "[ . 1 . 2]" 1
85 1 32 TYR H 1 32 TYR QD 4.100 . 4.720 2.630 2.228 3.543 . 0 0 "[ . 1 . 2]" 1
86 1 31 PRO HA 1 32 TYR H 3.450 . 3.970 2.192 2.141 2.313 . 0 0 "[ . 1 . 2]" 1
87 1 14 VAL MG2 1 32 TYR H 4.260 . 4.900 3.673 3.446 4.019 . 0 0 "[ . 1 . 2]" 1
88 1 53 ALA MB 1 54 ALA H 3.830 . 4.400 2.931 2.664 3.080 . 0 0 "[ . 1 . 2]" 1
89 1 46 GLY H 1 47 ILE H 3.540 . 4.070 2.594 2.291 2.986 . 0 0 "[ . 1 . 2]" 1
90 1 45 ASP HA 1 47 ILE H 4.060 . 4.670 3.380 3.149 3.630 . 0 0 "[ . 1 . 2]" 1
91 1 47 ILE H 1 47 ILE HB 3.630 . 4.170 2.465 2.365 2.585 . 0 0 "[ . 1 . 2]" 1
92 1 47 ILE H 1 47 ILE HG12 3.600 . 4.140 2.537 2.182 2.969 . 0 0 "[ . 1 . 2]" 1
93 1 47 ILE H 1 47 ILE HG13 4.120 . 4.740 3.908 3.659 4.242 . 0 0 "[ . 1 . 2]" 1
94 1 47 ILE H 1 47 ILE MD 3.580 . 4.120 3.475 3.098 3.773 . 0 0 "[ . 1 . 2]" 1
95 1 48 ALA MB 1 49 ALA H 2.940 . 3.380 2.392 2.295 2.473 . 0 0 "[ . 1 . 2]" 1
96 1 49 ALA H 1 49 ALA MB 3.320 . 3.820 2.742 2.720 2.770 . 0 0 "[ . 1 . 2]" 1
97 1 36 LEU H 1 43 LYS H 3.640 . 4.190 3.728 3.469 3.974 . 0 0 "[ . 1 . 2]" 1
98 1 42 LEU HA 1 43 LYS H 3.290 . 3.780 2.174 2.130 2.217 . 0 0 "[ . 1 . 2]" 1
99 1 42 LEU HB2 1 43 LYS H 4.380 . 5.040 4.224 4.071 4.356 . 0 0 "[ . 1 . 2]" 1
100 1 42 LEU HB3 1 43 LYS H 3.640 . 4.190 3.438 3.215 3.620 . 0 0 "[ . 1 . 2]" 1
101 1 36 LEU HB3 1 43 LYS H 4.340 . 4.990 3.643 3.011 4.247 . 0 0 "[ . 1 . 2]" 1
102 1 43 LYS H 1 43 LYS HB2 3.900 . 4.490 2.770 2.647 2.837 . 0 0 "[ . 1 . 2]" 1
103 1 34 VAL MG1 1 43 LYS H 4.220 . 4.850 3.294 2.866 3.622 . 0 0 "[ . 1 . 2]" 1
104 1 42 LEU MD2 1 43 LYS H 4.160 . 4.780 3.894 3.665 4.141 . 0 0 "[ . 1 . 2]" 1
105 1 43 LYS H 1 43 LYS HB3 3.900 . 4.490 2.490 2.356 2.621 . 0 0 "[ . 1 . 2]" 1
106 1 10 VAL H 1 11 GLY H 4.690 . 5.390 4.578 4.417 4.645 . 0 0 "[ . 1 . 2]" 1
107 1 9 MET HA 1 10 VAL H 3.230 . 3.710 2.272 2.143 2.553 . 0 0 "[ . 1 . 2]" 1
108 1 10 VAL H 1 10 VAL HB 3.650 . 4.200 3.643 3.576 3.695 . 0 0 "[ . 1 . 2]" 1
109 1 10 VAL H 1 10 VAL MG2 3.150 . 3.620 2.162 1.782 2.813 0.018 16 0 "[ . 1 . 2]" 1
110 1 72 ARG HA 1 73 VAL H 3.560 . 4.090 2.774 2.183 3.599 . 0 0 "[ . 1 . 2]" 1
111 1 73 VAL H 1 73 VAL HB 3.750 . 4.310 2.826 2.484 3.860 . 0 0 "[ . 1 . 2]" 1
112 1 80 LEU H 1 80 LEU HB2 3.140 . 3.610 2.498 2.366 2.751 . 0 0 "[ . 1 . 2]" 1
113 1 44 VAL HA 1 45 ASP H 3.420 . 3.930 2.294 2.204 2.377 . 0 0 "[ . 1 . 2]" 1
114 1 45 ASP H 1 45 ASP HB3 3.510 . 4.040 2.490 2.394 2.572 . 0 0 "[ . 1 . 2]" 1
115 1 45 ASP H 1 45 ASP HB2 3.540 . 4.070 2.533 2.399 2.605 . 0 0 "[ . 1 . 2]" 1
116 1 44 VAL HB 1 45 ASP H 3.740 . 4.300 3.926 3.631 4.158 . 0 0 "[ . 1 . 2]" 1
117 1 35 LEU HG 1 45 ASP H 4.020 . 4.620 2.814 2.455 3.232 . 0 0 "[ . 1 . 2]" 1
118 1 35 LEU MD1 1 45 ASP H 4.440 . 5.110 3.666 3.311 4.235 . 0 0 "[ . 1 . 2]" 1
119 1 35 LEU MD2 1 45 ASP H 4.760 . 5.470 3.908 3.493 4.319 . 0 0 "[ . 1 . 2]" 1
120 1 44 VAL QG 1 45 ASP H 3.990 . 4.590 2.331 2.019 2.649 . 0 0 "[ . 1 . 2]" 1
121 1 69 LEU H 1 70 THR H 5.090 . 5.850 3.256 1.776 4.549 0.024 5 0 "[ . 1 . 2]" 1
122 1 81 LYS H 1 82 ILE H 5.340 . 6.140 4.174 2.596 4.616 . 0 0 "[ . 1 . 2]" 1
123 1 59 ALA HA 1 60 ASP H 3.460 . 3.980 2.280 2.165 2.477 . 0 0 "[ . 1 . 2]" 1
124 1 59 ALA MB 1 60 ASP H 4.010 . 4.610 2.750 2.370 3.339 . 0 0 "[ . 1 . 2]" 1
125 1 15 TRP H 1 15 TRP HD1 4.310 . 4.960 4.105 3.881 4.263 . 0 0 "[ . 1 . 2]" 1
126 1 14 VAL HA 1 15 TRP H 3.410 . 3.920 2.481 2.290 2.602 . 0 0 "[ . 1 . 2]" 1
127 1 14 VAL HB 1 15 TRP H 3.460 . 3.980 2.174 1.973 2.685 . 0 0 "[ . 1 . 2]" 1
128 1 14 VAL MG2 1 15 TRP H 4.000 . 4.600 3.170 2.871 3.628 . 0 0 "[ . 1 . 2]" 1
129 1 69 LEU H 1 69 LEU HG 3.680 . 4.230 2.476 2.261 3.054 . 0 0 "[ . 1 . 2]" 1
130 1 14 VAL HA 1 59 ALA H 3.830 . 4.400 2.042 1.724 2.865 0.076 16 0 "[ . 1 . 2]" 1
131 1 58 ALA HA 1 59 ALA H 3.290 . 3.780 2.196 2.144 2.310 . 0 0 "[ . 1 . 2]" 1
132 1 58 ALA MB 1 59 ALA H 3.610 . 4.150 3.129 2.624 3.417 . 0 0 "[ . 1 . 2]" 1
133 1 82 ILE H 1 82 ILE HG12 4.150 . 4.770 2.134 1.928 2.397 . 0 0 "[ . 1 . 2]" 1
134 1 82 ILE H 1 82 ILE HG13 4.150 . 4.770 3.078 2.896 3.234 . 0 0 "[ . 1 . 2]" 1
135 1 59 ALA H 1 59 ALA MB 3.470 . 3.990 2.412 2.274 2.824 . 0 0 "[ . 1 . 2]" 1
136 1 11 GLY H 1 12 ASP H 3.550 . 4.080 2.298 2.042 2.549 . 0 0 "[ . 1 . 2]" 1
137 1 10 VAL HA 1 12 ASP H 3.910 . 4.500 3.331 3.117 3.518 . 0 0 "[ . 1 . 2]" 1
138 1 12 ASP H 1 12 ASP HB3 3.770 . 4.340 2.616 2.448 2.756 . 0 0 "[ . 1 . 2]" 1
139 1 12 ASP H 1 12 ASP HB2 3.770 . 4.340 2.475 2.367 2.576 . 0 0 "[ . 1 . 2]" 1
140 1 12 ASP H 1 34 VAL HB 3.580 . 4.120 3.507 3.292 3.724 . 0 0 "[ . 1 . 2]" 1
141 1 12 ASP H 1 34 VAL MG2 4.300 . 4.950 4.600 4.277 4.915 . 0 0 "[ . 1 . 2]" 1
142 1 8 HIS HA 1 9 MET H 3.360 . 3.860 2.316 2.170 2.497 . 0 0 "[ . 1 . 2]" 1
143 1 9 MET H 1 9 MET HG2 4.030 . 4.630 2.261 1.978 2.642 . 0 0 "[ . 1 . 2]" 1
144 1 9 MET H 1 9 MET HG3 4.030 . 4.630 3.352 3.091 3.587 . 0 0 "[ . 1 . 2]" 1
145 1 16 VAL H 1 29 LYS H 4.000 . 4.600 2.915 2.572 3.255 . 0 0 "[ . 1 . 2]" 1
146 1 28 TRP HA 1 29 LYS H 3.560 . 4.090 2.238 2.127 2.351 . 0 0 "[ . 1 . 2]" 1
147 1 16 VAL HB 1 29 LYS H 3.940 . 4.530 3.903 3.315 4.442 . 0 0 "[ . 1 . 2]" 1
148 1 16 VAL MG1 1 29 LYS H 4.500 . 5.180 4.457 4.191 4.697 . 0 0 "[ . 1 . 2]" 1
149 1 73 VAL HB 1 74 GLN H 4.150 . 4.770 2.954 2.095 4.350 . 0 0 "[ . 1 . 2]" 1
150 1 84 LEU H 1 84 LEU HG 3.780 . 4.350 2.517 2.202 3.041 . 0 0 "[ . 1 . 2]" 1
151 1 73 VAL MG1 1 74 GLN H 5.600 . 6.440 3.460 1.914 4.347 . 0 0 "[ . 1 . 2]" 1
152 1 73 VAL MG2 1 74 GLN H 5.600 . 6.440 3.716 2.428 4.268 . 0 0 "[ . 1 . 2]" 1
153 1 42 LEU H 1 51 ILE H 3.960 . 4.550 2.967 2.600 3.423 . 0 0 "[ . 1 . 2]" 1
154 1 50 TRP HA 1 51 ILE H 3.160 . 3.630 2.232 2.130 2.308 . 0 0 "[ . 1 . 2]" 1
155 1 50 TRP HB3 1 51 ILE H 4.310 . 4.960 2.842 2.628 3.247 . 0 0 "[ . 1 . 2]" 1
156 1 51 ILE H 1 51 ILE HB 3.540 . 4.070 2.582 2.437 2.713 . 0 0 "[ . 1 . 2]" 1
157 1 51 ILE H 1 51 ILE HG12 4.180 . 4.810 3.038 2.700 3.255 . 0 0 "[ . 1 . 2]" 1
158 1 41 ALA MB 1 51 ILE H 4.100 . 4.720 3.891 3.359 4.301 . 0 0 "[ . 1 . 2]" 1
159 1 51 ILE H 1 51 ILE HG13 4.510 . 5.190 4.268 3.994 4.427 . 0 0 "[ . 1 . 2]" 1
160 1 57 LYS HA 1 58 ALA H 3.260 . 3.750 2.214 2.158 2.297 . 0 0 "[ . 1 . 2]" 1
161 1 58 ALA H 1 58 ALA MB 3.260 . 3.750 2.245 2.227 2.283 . 0 0 "[ . 1 . 2]" 1
162 1 57 LYS HB2 1 58 ALA H 5.010 . 5.760 4.225 3.295 4.464 . 0 0 "[ . 1 . 2]" 1
163 1 57 LYS HB3 1 58 ALA H 5.010 . 5.760 3.930 2.994 4.465 . 0 0 "[ . 1 . 2]" 1
164 1 82 ILE HA 1 83 ARG H 3.420 . 3.930 2.463 2.092 3.239 . 0 0 "[ . 1 . 2]" 1
165 1 82 ILE HB 1 83 ARG H 4.230 . 4.860 3.142 1.959 4.480 . 0 0 "[ . 1 . 2]" 1
166 1 33 THR HA 1 34 VAL H 3.180 . 3.660 2.205 2.153 2.251 . 0 0 "[ . 1 . 2]" 1
167 1 34 VAL H 1 34 VAL HB 3.530 . 4.060 2.601 2.489 2.698 . 0 0 "[ . 1 . 2]" 1
168 1 33 THR MG 1 34 VAL H 3.710 . 4.270 4.081 3.097 4.337 0.067 18 0 "[ . 1 . 2]" 1
169 1 34 VAL H 1 34 VAL MG2 3.340 . 3.840 2.187 1.994 2.382 . 0 0 "[ . 1 . 2]" 1
170 1 53 ALA H 1 54 ALA H 4.210 . 4.840 2.907 2.786 3.043 . 0 0 "[ . 1 . 2]" 1
171 1 41 ALA H 1 42 LEU H 4.860 . 5.590 4.203 4.085 4.364 . 0 0 "[ . 1 . 2]" 1
172 1 42 LEU H 1 53 ALA H 5.260 . 6.050 4.250 3.765 4.806 . 0 0 "[ . 1 . 2]" 1
173 1 40 THR H 1 41 ALA H 3.610 . 4.150 2.768 2.604 2.985 . 0 0 "[ . 1 . 2]" 1
174 1 41 ALA HA 1 53 ALA H 4.030 . 4.630 2.928 2.354 3.375 . 0 0 "[ . 1 . 2]" 1
175 1 38 THR HB 1 41 ALA H 4.470 . 5.140 4.464 3.614 4.874 . 0 0 "[ . 1 . 2]" 1
176 1 52 HIS HB2 1 53 ALA H 4.690 . 5.390 4.282 4.061 4.459 . 0 0 "[ . 1 . 2]" 1
177 1 52 HIS HB3 1 53 ALA H 4.950 . 5.690 4.028 3.610 4.283 . 0 0 "[ . 1 . 2]" 1
178 1 53 ALA H 1 53 ALA MB 3.200 . 3.680 2.233 2.220 2.257 . 0 0 "[ . 1 . 2]" 1
179 1 42 LEU MD1 1 53 ALA H 5.160 . 5.930 5.192 4.734 5.866 . 0 0 "[ . 1 . 2]" 1
180 1 41 ALA H 1 42 LEU MD2 5.490 . 6.310 3.512 3.082 4.172 . 0 0 "[ . 1 . 2]" 1
181 1 51 ILE HA 1 52 HIS H 3.230 . 3.710 2.203 2.152 2.255 . 0 0 "[ . 1 . 2]" 1
182 1 52 HIS H 1 52 HIS HB2 3.400 . 3.910 2.420 2.351 2.525 . 0 0 "[ . 1 . 2]" 1
183 1 52 HIS H 1 52 HIS HB3 3.900 . 4.490 2.638 2.564 2.707 . 0 0 "[ . 1 . 2]" 1
184 1 41 ALA MB 1 52 HIS H 5.300 . 6.100 4.617 3.933 5.124 . 0 0 "[ . 1 . 2]" 1
185 1 51 ILE MG 1 52 HIS H 3.830 . 4.400 2.781 2.504 3.049 . 0 0 "[ . 1 . 2]" 1
186 1 16 VAL HA 1 17 ARG H 3.450 . 3.970 2.088 1.994 2.147 . 0 0 "[ . 1 . 2]" 1
187 1 17 ARG H 1 17 ARG HB2 4.050 . 4.660 2.594 2.480 2.814 . 0 0 "[ . 1 . 2]" 1
188 1 16 VAL MG1 1 17 ARG H 3.990 . 4.590 3.176 3.020 3.316 . 0 0 "[ . 1 . 2]" 1
189 1 17 ARG H 1 17 ARG HB3 4.050 . 4.660 2.400 2.228 2.514 . 0 0 "[ . 1 . 2]" 1
190 1 15 TRP HA 1 15 TRP HE1 4.850 . 5.580 4.804 4.684 4.933 . 0 0 "[ . 1 . 2]" 1
191 1 15 TRP HE1 1 59 ALA MB 3.850 . 4.430 2.952 2.681 3.426 . 0 0 "[ . 1 . 2]" 1
192 1 35 LEU H 1 44 VAL HA 3.760 . 4.320 2.663 2.456 2.917 . 0 0 "[ . 1 . 2]" 1
193 1 34 VAL HA 1 35 LEU H 3.390 . 3.900 2.144 2.101 2.193 . 0 0 "[ . 1 . 2]" 1
194 1 35 LEU H 1 35 LEU HG 4.130 . 4.750 2.650 2.450 2.830 . 0 0 "[ . 1 . 2]" 1
195 1 35 LEU H 1 35 LEU HB3 3.990 . 4.590 3.692 3.641 3.748 . 0 0 "[ . 1 . 2]" 1
196 1 34 VAL MG1 1 35 LEU H 3.910 . 4.500 2.718 2.367 2.929 . 0 0 "[ . 1 . 2]" 1
197 1 42 LEU H 1 50 TRP HA 4.330 . 4.980 4.379 3.675 4.873 . 0 0 "[ . 1 . 2]" 1
198 1 71 TRP H 1 71 TRP HD1 4.570 . 5.260 3.536 2.094 5.128 . 0 0 "[ . 1 . 2]" 1
199 1 12 ASP H 1 34 VAL H 4.480 . 5.150 3.395 2.917 3.938 . 0 0 "[ . 1 . 2]" 1
200 1 15 TRP H 1 57 LYS H 4.480 . 5.150 2.796 2.286 3.176 . 0 0 "[ . 1 . 2]" 1
201 1 33 THR H 1 45 ASP H 4.490 . 5.160 3.522 2.926 4.258 . 0 0 "[ . 1 . 2]" 1
202 1 49 ALA H 1 50 TRP H 4.370 . 5.030 2.299 2.198 2.386 . 0 0 "[ . 1 . 2]" 1
203 1 37 THR HA 1 42 LEU HA 3.720 . 4.280 2.473 2.239 2.850 . 0 0 "[ . 1 . 2]" 1
204 1 14 VAL MG1 1 58 ALA MB 4.270 . 4.910 3.045 2.440 3.440 . 0 0 "[ . 1 . 2]" 1
205 1 54 ALA MB 1 55 HIS HB2 4.620 . 5.310 4.801 4.406 5.205 . 0 0 "[ . 1 . 2]" 1
206 1 52 HIS HB3 1 54 ALA MB 3.990 . 4.590 4.180 3.696 4.636 0.046 5 0 "[ . 1 . 2]" 1
207 1 44 VAL QG 1 51 ILE HG12 4.090 . 4.700 3.592 3.051 3.965 . 0 0 "[ . 1 . 2]" 1
208 1 34 VAL MG2 1 44 VAL QG 3.760 . 4.200 1.811 1.688 1.996 0.112 6 0 "[ . 1 . 2]" 1
209 1 44 VAL QG 1 47 ILE HG13 3.870 . 4.450 2.925 2.733 3.100 . 0 0 "[ . 1 . 2]" 1
210 1 14 VAL MG2 1 34 VAL MG2 3.510 . 4.040 1.954 1.789 2.044 0.011 12 0 "[ . 1 . 2]" 1
211 1 14 VAL MG1 1 56 VAL MG1 3.950 . 4.540 2.442 2.196 2.711 . 0 0 "[ . 1 . 2]" 1
212 1 34 VAL HA 1 44 VAL QG 3.980 . 4.580 2.501 2.304 2.721 . 0 0 "[ . 1 . 2]" 1
213 1 14 VAL MG2 1 16 VAL MG2 3.940 . 4.530 3.085 2.351 3.496 . 0 0 "[ . 1 . 2]" 1
214 1 16 VAL MG2 1 44 VAL QG 4.180 . 4.370 2.521 2.022 2.972 . 0 0 "[ . 1 . 2]" 1
215 1 10 VAL MG1 1 35 LEU HA 4.150 . 4.770 2.593 2.152 3.107 . 0 0 "[ . 1 . 2]" 1
216 1 10 VAL MG1 1 35 LEU HB3 3.880 . 4.460 2.945 2.292 3.608 . 0 0 "[ . 1 . 2]" 1
217 1 74 GLN HB2 1 80 LEU MD2 5.520 . 6.350 4.042 1.936 5.998 . 0 0 "[ . 1 . 2]" 1
218 1 74 GLN HB3 1 80 LEU MD2 5.520 . 6.350 4.045 2.854 5.976 . 0 0 "[ . 1 . 2]" 1
219 1 34 VAL MG2 1 44 VAL HA 4.340 . 4.990 3.451 3.033 3.751 . 0 0 "[ . 1 . 2]" 1
220 1 14 VAL HB 1 34 VAL MG2 4.290 . 4.930 3.697 3.418 3.880 . 0 0 "[ . 1 . 2]" 1
221 1 34 VAL MG2 1 42 LEU MD1 4.040 . 4.650 2.503 1.975 3.458 . 0 0 "[ . 1 . 2]" 1
222 1 34 VAL MG2 1 56 VAL MG1 4.390 . 5.050 2.801 2.454 3.341 . 0 0 "[ . 1 . 2]" 1
223 1 14 VAL MG1 1 34 VAL MG2 3.450 . 3.970 2.089 1.942 2.250 . 0 0 "[ . 1 . 2]" 1
224 1 35 LEU HA 1 35 LEU MD2 3.290 . 3.780 2.141 2.065 2.217 . 0 0 "[ . 1 . 2]" 1
225 1 35 LEU MD2 1 45 ASP HA 4.560 . 5.240 4.465 3.826 5.088 . 0 0 "[ . 1 . 2]" 1
226 1 35 LEU MD2 1 45 ASP HB3 4.540 . 5.220 3.831 3.255 4.333 . 0 0 "[ . 1 . 2]" 1
227 1 35 LEU MD2 1 45 ASP HB2 3.840 . 4.420 2.663 2.175 3.218 . 0 0 "[ . 1 . 2]" 1
228 1 10 VAL HB 1 35 LEU MD2 4.300 . 4.950 2.400 1.885 2.758 . 0 0 "[ . 1 . 2]" 1
229 1 10 VAL MG2 1 35 LEU MD2 3.680 . 4.230 3.581 2.800 4.090 . 0 0 "[ . 1 . 2]" 1
230 1 37 THR MG 1 42 LEU MD2 3.710 . 4.270 1.882 1.719 2.021 0.081 8 0 "[ . 1 . 2]" 1
231 1 34 VAL MG1 1 42 LEU MD2 3.270 . 3.760 3.000 2.222 3.760 0.000 5 0 "[ . 1 . 2]" 1
232 1 35 LEU HA 1 35 LEU MD1 4.270 . 4.910 3.923 3.872 3.974 . 0 0 "[ . 1 . 2]" 1
233 1 35 LEU MD1 1 45 ASP HA 3.720 . 4.280 2.808 2.268 3.300 . 0 0 "[ . 1 . 2]" 1
234 1 35 LEU MD1 1 45 ASP HB3 4.620 . 5.310 3.765 3.480 3.992 . 0 0 "[ . 1 . 2]" 1
235 1 35 LEU MD1 1 45 ASP HB2 3.800 . 4.370 2.240 1.858 2.668 . 0 0 "[ . 1 . 2]" 1
236 1 10 VAL MG1 1 35 LEU MD1 4.600 . 5.290 4.296 3.758 5.009 . 0 0 "[ . 1 . 2]" 1
237 1 34 VAL MG1 1 37 THR MG 3.460 . 3.980 2.363 1.909 4.123 0.143 9 0 "[ . 1 . 2]" 1
238 1 14 VAL MG2 1 34 VAL MG1 4.820 . 5.540 4.235 4.037 4.307 . 0 0 "[ . 1 . 2]" 1
239 1 34 VAL MG1 1 44 VAL QG 4.710 . 5.420 3.027 2.610 3.483 . 0 0 "[ . 1 . 2]" 1
240 1 41 ALA MB 1 52 HIS HA 4.030 . 4.630 3.187 2.533 3.785 . 0 0 "[ . 1 . 2]" 1
241 1 41 ALA MB 1 50 TRP HB3 3.840 . 4.420 1.933 1.731 2.562 0.069 18 0 "[ . 1 . 2]" 1
242 1 10 VAL HA 1 34 VAL HB 4.930 . 5.670 5.148 4.739 5.516 . 0 0 "[ . 1 . 2]" 1
243 1 10 VAL HA 1 35 LEU MD2 3.730 . 4.290 2.997 2.712 3.529 . 0 0 "[ . 1 . 2]" 1
244 1 43 LYS HA 1 44 VAL HA 4.580 . 5.270 4.467 4.445 4.488 . 0 0 "[ . 1 . 2]" 1
245 1 13 THR HA 1 13 THR MG 3.370 . 3.880 2.422 2.333 2.479 . 0 0 "[ . 1 . 2]" 1
246 1 13 THR HA 1 14 VAL MG1 4.440 . 5.110 3.931 3.826 4.029 . 0 0 "[ . 1 . 2]" 1
247 1 13 THR HA 1 14 VAL MG2 4.950 . 5.690 3.784 3.537 4.048 . 0 0 "[ . 1 . 2]" 1
248 1 14 VAL HA 1 59 ALA MB 4.080 . 4.690 2.563 2.382 3.569 . 0 0 "[ . 1 . 2]" 1
249 1 14 VAL HA 1 56 VAL MG1 4.730 . 5.440 4.209 3.977 4.495 . 0 0 "[ . 1 . 2]" 1
250 1 14 VAL HA 1 14 VAL MG1 3.370 . 3.880 2.417 2.389 2.456 . 0 0 "[ . 1 . 2]" 1
251 1 15 TRP HA 1 30 GLY HA2 4.750 . 5.460 3.330 3.109 3.715 . 0 0 "[ . 1 . 2]" 1
252 1 15 TRP HA 1 31 PRO HA 4.990 . 5.740 3.852 3.383 4.328 . 0 0 "[ . 1 . 2]" 1
253 1 16 VAL HA 1 17 ARG HA 4.570 . 5.260 4.446 4.391 4.501 . 0 0 "[ . 1 . 2]" 1
254 1 37 THR HA 1 42 LEU MD2 4.340 . 4.990 2.489 2.022 3.548 . 0 0 "[ . 1 . 2]" 1
255 1 32 TYR HA 1 44 VAL QG 4.320 . 4.970 3.608 3.148 3.918 . 0 0 "[ . 1 . 2]" 1
256 1 42 LEU HA 1 43 LYS HA 4.590 . 5.280 4.449 4.406 4.473 . 0 0 "[ . 1 . 2]" 1
257 1 37 THR MG 1 42 LEU HA 4.850 . 5.580 3.530 2.047 4.264 . 0 0 "[ . 1 . 2]" 1
258 1 34 VAL HA 1 44 VAL HA 3.520 . 4.050 1.949 1.742 2.131 0.058 17 0 "[ . 1 . 2]" 1
259 1 34 VAL MG1 1 44 VAL HA 3.920 . 4.510 3.499 2.947 3.835 . 0 0 "[ . 1 . 2]" 1
260 1 43 LYS HA 1 50 TRP HA 4.190 . 4.820 2.443 2.235 2.976 . 0 0 "[ . 1 . 2]" 1
261 1 43 LYS HG3 1 50 TRP HA 4.150 . 4.770 4.029 3.628 4.620 . 0 0 "[ . 1 . 2]" 1
262 1 51 ILE HA 1 52 HIS HB2 4.530 . 5.210 4.507 4.316 4.648 . 0 0 "[ . 1 . 2]" 1
263 1 51 ILE HA 1 51 ILE HG12 4.170 . 4.800 3.048 2.996 3.127 . 0 0 "[ . 1 . 2]" 1
264 1 51 ILE HA 1 51 ILE MG 3.350 . 3.850 2.560 2.476 2.603 . 0 0 "[ . 1 . 2]" 1
265 1 51 ILE HA 1 51 ILE MD 4.160 . 4.780 2.080 2.009 2.158 . 0 0 "[ . 1 . 2]" 1
266 1 41 ALA HA 1 52 HIS HA 3.680 . 4.230 2.464 2.035 2.813 . 0 0 "[ . 1 . 2]" 1
267 1 14 VAL HA 1 58 ALA HA 3.970 . 4.570 2.676 1.967 2.975 . 0 0 "[ . 1 . 2]" 1
268 1 14 VAL MG1 1 58 ALA HA 3.700 . 4.260 1.904 1.764 2.113 0.036 12 0 "[ . 1 . 2]" 1
269 1 80 LEU HB3 1 81 LYS HA 5.460 . 6.280 4.825 4.024 5.279 . 0 0 "[ . 1 . 2]" 1
270 1 74 GLN HA 1 80 LEU HG 5.760 . 6.620 4.637 3.058 5.731 . 0 0 "[ . 1 . 2]" 1
271 1 81 LYS HA 1 82 ILE MG 4.350 . 5.000 3.913 3.170 4.986 . 0 0 "[ . 1 . 2]" 1
272 1 85 THR HA 1 85 THR MG 3.270 . 3.760 2.682 2.365 3.281 . 0 0 "[ . 1 . 2]" 1
273 1 87 GLU HA 1 88 ALA HA 4.780 . 5.500 4.469 4.209 4.851 . 0 0 "[ . 1 . 2]" 1
274 1 65 PRO HB3 1 69 LEU HG 4.000 . 4.600 3.798 2.404 4.734 0.134 5 0 "[ . 1 . 2]" 1
275 1 14 VAL HB 1 58 ALA MB 4.360 . 5.010 4.716 4.238 5.107 0.097 14 0 "[ . 1 . 2]" 1
276 1 34 VAL HB 1 44 VAL HA 5.180 . 5.960 4.961 4.643 5.185 . 0 0 "[ . 1 . 2]" 1
277 1 14 VAL MG1 1 34 VAL HB 3.940 . 4.530 3.587 3.215 3.890 . 0 0 "[ . 1 . 2]" 1
278 1 42 LEU MD1 1 56 VAL HB 3.930 . 4.520 2.420 1.798 3.260 0.002 12 0 "[ . 1 . 2]" 1
279 1 47 ILE HB 1 47 ILE MD 3.520 . 4.050 3.282 3.273 3.289 . 0 0 "[ . 1 . 2]" 1
280 1 47 ILE HG13 1 51 ILE HB 4.980 . 5.730 4.033 3.636 4.373 . 0 0 "[ . 1 . 2]" 1
281 1 10 VAL HB 1 73 VAL HB 4.670 . 5.370 4.125 3.217 5.455 0.085 19 0 "[ . 1 . 2]" 1
282 1 35 LEU HB3 1 73 VAL HB 4.880 . 5.610 4.132 2.677 5.350 . 0 0 "[ . 1 . 2]" 1
283 1 12 ASP HB2 1 34 VAL MG2 4.020 . 4.620 4.350 3.875 4.737 0.117 10 0 "[ . 1 . 2]" 1
284 1 12 ASP HB2 1 14 VAL MG1 4.320 . 4.970 4.537 4.226 4.975 0.005 7 0 "[ . 1 . 2]" 1
285 1 35 LEU HB2 1 73 VAL MG1 5.530 . 6.360 4.459 2.868 6.241 . 0 0 "[ . 1 . 2]" 1
286 1 35 LEU HB2 1 73 VAL MG2 5.530 . 6.360 4.256 3.149 5.629 . 0 0 "[ . 1 . 2]" 1
287 1 12 ASP HB3 1 34 VAL MG2 4.020 . 4.620 2.949 2.471 3.345 . 0 0 "[ . 1 . 2]" 1
288 1 12 ASP HB3 1 14 VAL MG1 4.320 . 4.970 3.334 3.063 3.803 . 0 0 "[ . 1 . 2]" 1
289 1 72 ARG HB3 1 75 ARG HG2 4.710 . 5.420 4.311 3.056 5.374 . 0 0 "[ . 1 . 2]" 1
290 1 72 ARG HB3 1 75 ARG HG3 4.710 . 5.420 4.359 2.706 5.468 0.048 19 0 "[ . 1 . 2]" 1
291 1 35 LEU HG 1 45 ASP HB2 4.210 . 4.840 2.560 2.251 2.923 . 0 0 "[ . 1 . 2]" 1
292 1 36 LEU HA 1 36 LEU HG 4.230 . 4.860 3.167 2.905 3.305 . 0 0 "[ . 1 . 2]" 1
293 1 69 LEU HA 1 69 LEU HG 4.080 . 4.690 3.237 3.064 3.371 . 0 0 "[ . 1 . 2]" 1
294 1 65 PRO HB2 1 69 LEU HG 4.000 . 4.600 3.363 2.644 4.587 . 0 0 "[ . 1 . 2]" 1
295 1 14 VAL HB 1 56 VAL MG1 3.730 . 4.290 2.222 1.991 2.539 . 0 0 "[ . 1 . 2]" 1
296 1 51 ILE MG 1 56 VAL MG1 4.260 . 4.900 4.219 3.901 4.427 . 0 0 "[ . 1 . 2]" 1
297 1 14 VAL MG2 1 56 VAL MG1 3.590 . 4.130 2.319 2.143 2.538 . 0 0 "[ . 1 . 2]" 1
298 1 50 TRP HA 1 51 ILE HG12 4.100 . 4.720 4.143 3.988 4.306 . 0 0 "[ . 1 . 2]" 1
299 1 44 VAL HB 1 51 ILE HG12 4.250 . 4.890 3.818 2.924 4.414 . 0 0 "[ . 1 . 2]" 1
300 1 47 ILE MG 1 51 ILE HG12 4.230 . 4.860 1.880 1.744 2.062 0.056 20 0 "[ . 1 . 2]" 1
301 1 47 ILE HG13 1 51 ILE HG12 4.050 . 4.660 2.392 2.160 2.657 . 0 0 "[ . 1 . 2]" 1
302 1 47 ILE HG13 1 51 ILE MG 4.310 . 4.960 4.568 4.317 4.695 . 0 0 "[ . 1 . 2]" 1
303 1 47 ILE MD 1 47 ILE MG 3.330 . 3.830 2.164 2.112 2.260 . 0 0 "[ . 1 . 2]" 1
304 1 53 ALA HA 1 56 VAL MG2 3.870 . 4.450 2.697 2.239 3.694 . 0 0 "[ . 1 . 2]" 1
305 1 42 LEU HB3 1 56 VAL MG2 4.740 . 5.450 3.691 3.361 4.074 . 0 0 "[ . 1 . 2]" 1
306 1 51 ILE HB 1 56 VAL MG2 4.930 . 5.670 2.740 2.360 3.028 . 0 0 "[ . 1 . 2]" 1
307 1 51 ILE HG12 1 56 VAL MG2 4.880 . 5.610 4.586 4.168 4.798 . 0 0 "[ . 1 . 2]" 1
308 1 53 ALA MB 1 56 VAL MG2 4.330 . 4.980 3.922 3.440 4.795 . 0 0 "[ . 1 . 2]" 1
309 1 51 ILE MG 1 56 VAL MG2 3.240 . 3.730 2.067 1.928 2.223 . 0 0 "[ . 1 . 2]" 1
310 1 14 VAL MG2 1 56 VAL MG2 3.890 . 4.470 3.614 3.361 4.019 . 0 0 "[ . 1 . 2]" 1
311 1 43 LYS HA 1 43 LYS HG3 4.060 . 4.670 2.605 2.435 2.710 . 0 0 "[ . 1 . 2]" 1
312 1 72 ARG HB2 1 75 ARG HG2 4.710 . 5.420 4.130 2.693 5.484 0.064 4 0 "[ . 1 . 2]" 1
313 1 72 ARG HB2 1 75 ARG HG3 4.710 . 5.420 4.082 1.897 5.533 0.113 14 0 "[ . 1 . 2]" 1
314 1 42 LEU MD1 1 53 ALA HA 4.310 . 4.960 3.166 2.750 3.829 . 0 0 "[ . 1 . 2]" 1
315 1 42 LEU MD1 1 53 ALA MB 3.810 . 4.380 3.073 2.533 4.229 . 0 0 "[ . 1 . 2]" 1
316 1 42 LEU MD1 1 51 ILE MG 4.030 . 4.630 4.645 4.106 4.774 0.144 12 0 "[ . 1 . 2]" 1
317 1 42 LEU MD1 1 56 VAL MG2 3.190 . 3.670 2.265 1.945 2.762 . 0 0 "[ . 1 . 2]" 1
318 1 14 VAL MG1 1 42 LEU MD1 4.270 . 4.910 3.356 2.620 3.894 . 0 0 "[ . 1 . 2]" 1
319 1 14 VAL MG2 1 42 LEU MD1 4.460 . 5.130 3.917 3.292 4.451 . 0 0 "[ . 1 . 2]" 1
320 1 44 VAL HB 1 51 ILE MD 4.690 . 5.390 4.876 4.252 5.424 0.034 11 0 "[ . 1 . 2]" 1
321 1 51 ILE MD 1 51 ILE MG 3.110 . 3.580 2.088 2.052 2.130 . 0 0 "[ . 1 . 2]" 1
322 1 47 ILE MG 1 51 ILE MD 2.960 . 3.400 2.411 2.269 2.745 . 0 0 "[ . 1 . 2]" 1
323 1 47 ILE MD 1 51 ILE MD 3.250 . 3.740 2.069 1.891 2.318 . 0 0 "[ . 1 . 2]" 1
324 1 36 LEU HA 1 36 LEU MD2 3.970 . 4.570 3.990 3.939 4.035 . 0 0 "[ . 1 . 2]" 1
325 1 36 LEU MD2 1 43 LYS HD2 4.180 . 4.810 2.995 2.397 4.336 . 0 0 "[ . 1 . 2]" 1
326 1 36 LEU MD2 1 43 LYS HD3 4.180 . 4.810 2.905 2.284 4.070 . 0 0 "[ . 1 . 2]" 1
327 1 36 LEU HB3 1 43 LYS HE2 6.000 . 6.900 4.610 2.959 5.592 . 0 0 "[ . 1 . 2]" 1
328 1 36 LEU HB3 1 43 LYS HE3 6.000 . 6.900 4.654 1.864 5.961 . 0 0 "[ . 1 . 2]" 1
329 1 74 GLN HB2 1 80 LEU MD1 5.520 . 6.350 2.836 1.828 4.453 . 0 0 "[ . 1 . 2]" 1
330 1 15 TRP HA 1 30 GLY HA3 4.750 . 5.460 3.198 2.699 3.778 . 0 0 "[ . 1 . 2]" 1
331 1 8 HIS QB 1 42 LEU MD2 4.510 . 5.190 4.603 3.659 5.208 0.018 7 0 "[ . 1 . 2]" 1
332 1 9 MET H 1 9 MET QB 3.390 . 3.900 2.573 2.430 3.079 . 0 0 "[ . 1 . 2]" 1
333 1 9 MET H 1 9 MET QG 3.520 . 4.050 2.224 1.963 2.578 . 0 0 "[ . 1 . 2]" 1
334 1 9 MET QB 1 10 VAL H 3.420 . 3.930 2.856 2.191 3.183 . 0 0 "[ . 1 . 2]" 1
335 1 10 VAL MG2 1 11 GLY QA 3.890 . 4.470 3.768 3.230 4.285 . 0 0 "[ . 1 . 2]" 1
336 1 10 VAL MG2 1 73 VAL QG 3.670 . 4.220 3.400 2.604 4.020 . 0 0 "[ . 1 . 2]" 1
337 1 12 ASP H 1 12 ASP QB 3.140 . 3.610 2.259 2.200 2.326 . 0 0 "[ . 1 . 2]" 1
338 1 12 ASP QB 1 13 THR H 3.890 . 4.470 3.900 3.662 4.028 . 0 0 "[ . 1 . 2]" 1
339 1 12 ASP QB 1 14 VAL MG1 3.750 . 4.310 3.253 2.994 3.690 . 0 0 "[ . 1 . 2]" 1
340 1 13 THR MG 1 31 PRO QB 3.630 . 4.170 2.324 1.833 3.323 . 0 0 "[ . 1 . 2]" 1
341 1 14 VAL MG2 1 32 TYR QB 3.920 . 4.510 2.160 1.914 2.362 . 0 0 "[ . 1 . 2]" 1
342 1 15 TRP H 1 15 TRP QB 3.540 . 4.070 2.552 2.408 2.644 . 0 0 "[ . 1 . 2]" 1
343 1 15 TRP HA 1 30 GLY QA 4.060 . 4.670 2.857 2.627 3.117 . 0 0 "[ . 1 . 2]" 1
344 1 16 VAL MG2 1 32 TYR QB 4.270 . 4.910 2.628 2.331 3.037 . 0 0 "[ . 1 . 2]" 1
345 1 19 HIS QB 1 20 GLN H 4.170 . 4.800 3.345 2.125 4.042 . 0 0 "[ . 1 . 2]" 1
346 1 29 LYS QB 1 30 GLY H 3.830 . 4.400 2.703 2.191 3.038 . 0 0 "[ . 1 . 2]" 1
347 1 30 GLY QA 1 31 PRO QD 3.850 . 4.430 3.669 3.648 3.690 . 0 0 "[ . 1 . 2]" 1
348 1 30 GLY QA 1 32 TYR QD 4.270 . 4.910 2.061 1.828 2.454 . 0 0 "[ . 1 . 2]" 1
349 1 31 PRO QB 1 32 TYR H 3.960 . 4.550 3.430 2.744 3.762 . 0 0 "[ . 1 . 2]" 1
350 1 32 TYR H 1 32 TYR QB 3.600 . 4.140 2.396 2.300 2.666 . 0 0 "[ . 1 . 2]" 1
351 1 32 TYR QB 1 33 THR H 3.930 . 4.520 2.334 2.031 2.684 . 0 0 "[ . 1 . 2]" 1
352 1 32 TYR QB 1 44 VAL QG 4.100 . 4.510 1.865 1.782 2.002 0.018 3 0 "[ . 1 . 2]" 1
353 1 35 LEU HB2 1 73 VAL QG 4.800 . 5.520 3.752 2.765 4.940 . 0 0 "[ . 1 . 2]" 1
354 1 35 LEU HB3 1 73 VAL QG 3.250 . 3.740 2.663 1.767 3.766 0.033 15 0 "[ . 1 . 2]" 1
355 1 35 LEU MD2 1 73 VAL QG 3.250 . 3.740 3.149 1.805 3.834 0.094 18 0 "[ . 1 . 2]" 1
356 1 36 LEU H 1 43 LYS QB 3.700 . 4.260 2.819 2.496 3.011 . 0 0 "[ . 1 . 2]" 1
357 1 36 LEU HB3 1 43 LYS QB 3.800 . 4.370 1.807 1.622 2.087 0.178 19 0 "[ . 1 . 2]" 1
358 1 36 LEU HB3 1 43 LYS QE 5.150 . 5.920 4.031 1.856 5.128 . 0 0 "[ . 1 . 2]" 1
359 1 36 LEU MD2 1 43 LYS QB 3.770 . 4.340 2.867 2.456 3.276 . 0 0 "[ . 1 . 2]" 1
360 1 36 LEU MD2 1 43 LYS QD 3.560 . 4.090 2.559 2.157 3.043 . 0 0 "[ . 1 . 2]" 1
361 1 42 LEU HA 1 43 LYS QB 5.130 . 5.900 4.151 4.032 4.223 . 0 0 "[ . 1 . 2]" 1
362 1 43 LYS H 1 43 LYS QB 3.410 . 3.920 2.317 2.236 2.369 . 0 0 "[ . 1 . 2]" 1
363 1 43 LYS QB 1 43 LYS QD 3.170 . 3.650 2.231 2.162 2.419 . 0 0 "[ . 1 . 2]" 1
364 1 57 LYS QB 1 58 ALA H 4.360 . 5.010 3.571 2.918 3.954 . 0 0 "[ . 1 . 2]" 1
365 1 64 GLY QA 1 65 PRO QD 3.190 . 3.670 2.132 1.853 2.573 . 0 0 "[ . 1 . 2]" 1
366 1 65 PRO HA 1 69 LEU QD 4.480 . 5.150 3.697 1.934 4.556 . 0 0 "[ . 1 . 2]" 1
367 1 65 PRO QB 1 69 LEU QB 4.120 . 4.740 4.240 1.995 4.873 0.133 14 0 "[ . 1 . 2]" 1
368 1 65 PRO QB 1 69 LEU HG 3.460 . 3.980 2.987 2.356 4.006 0.026 9 0 "[ . 1 . 2]" 1
369 1 65 PRO QB 1 69 LEU QD 3.930 . 4.520 2.264 1.821 3.093 . 0 0 "[ . 1 . 2]" 1
370 1 65 PRO QG 1 69 LEU QD 4.400 . 5.060 2.835 1.749 4.279 0.051 7 0 "[ . 1 . 2]" 1
371 1 69 LEU HA 1 69 LEU QD 3.430 . 3.940 2.103 2.039 2.195 . 0 0 "[ . 1 . 2]" 1
372 1 69 LEU QD 1 70 THR H 4.580 . 5.270 4.034 3.457 4.506 . 0 0 "[ . 1 . 2]" 1
373 1 71 TRP H 1 71 TRP QB 3.580 . 4.120 2.700 2.285 3.335 . 0 0 "[ . 1 . 2]" 1
374 1 72 ARG H 1 72 ARG QG 4.810 . 5.530 2.525 1.960 4.235 . 0 0 "[ . 1 . 2]" 1
375 1 72 ARG QB 1 75 ARG QG 3.220 . 3.700 3.089 1.873 3.727 0.027 18 0 "[ . 1 . 2]" 1
376 1 72 ARG QB 1 75 ARG QD 4.700 . 5.400 3.858 1.828 5.407 0.007 18 0 "[ . 1 . 2]" 1
377 1 73 VAL QG 1 74 GLN H 4.610 . 5.300 3.071 1.906 3.818 . 0 0 "[ . 1 . 2]" 1
378 1 74 GLN QB 1 80 LEU H 4.650 . 5.350 4.010 3.312 5.162 . 0 0 "[ . 1 . 2]" 1
379 1 74 GLN QB 1 80 LEU HB2 3.870 . 4.450 4.019 2.380 4.606 0.156 15 0 "[ . 1 . 2]" 1
380 1 74 GLN QB 1 80 LEU HG 3.190 . 3.670 2.813 2.187 3.827 0.157 10 0 "[ . 1 . 2]" 1
381 1 74 GLN QB 1 80 LEU QD 3.260 . 3.750 2.252 1.778 3.259 0.022 10 0 "[ . 1 . 2]" 1
382 1 74 GLN HB3 1 80 LEU MD1 5.520 . 6.350 2.930 1.791 4.232 0.009 10 0 "[ . 1 . 2]" 1
383 1 74 GLN QG 1 80 LEU QD 4.260 . 4.900 2.825 1.784 3.902 0.016 15 0 "[ . 1 . 2]" 1
384 1 78 ASN HA 1 79 PRO QD 3.320 . 3.820 2.374 1.889 3.745 . 0 0 "[ . 1 . 2]" 1
385 1 79 PRO QB 1 80 LEU HG 4.430 . 5.090 4.242 2.636 5.374 0.284 16 0 "[ . 1 . 2]" 1
386 1 80 LEU HA 1 80 LEU QD 3.740 . 4.300 2.101 2.004 2.184 . 0 0 "[ . 1 . 2]" 1
387 1 81 LYS H 1 81 LYS QB 3.550 . 4.080 2.613 2.356 3.229 . 0 0 "[ . 1 . 2]" 1
388 1 81 LYS H 1 81 LYS QG 4.890 . 5.620 2.874 1.921 4.376 . 0 0 "[ . 1 . 2]" 1
389 1 81 LYS QB 1 82 ILE H 4.170 . 4.800 3.316 2.101 4.002 . 0 0 "[ . 1 . 2]" 1
390 1 82 ILE QG 1 82 ILE MG 3.090 . 3.550 2.388 2.332 2.421 . 0 0 "[ . 1 . 2]" 1
391 1 84 LEU HA 1 84 LEU QD 3.870 . 4.450 2.098 2.032 2.194 . 0 0 "[ . 1 . 2]" 1
392 1 87 GLU QB 1 88 ALA H 4.190 . 4.820 3.282 1.943 4.044 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 44
_Distance_constraint_stats_list.Viol_count 215
_Distance_constraint_stats_list.Viol_total 195.288
_Distance_constraint_stats_list.Viol_max 0.152
_Distance_constraint_stats_list.Viol_rms 0.0253
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0111
_Distance_constraint_stats_list.Viol_average_violations_only 0.0454
_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 11 GLY 0.544 0.085 2 0 "[ . 1 . 2]"
1 12 ASP 1.919 0.152 6 0 "[ . 1 . 2]"
1 13 THR 0.642 0.100 5 0 "[ . 1 . 2]"
1 14 VAL 0.418 0.118 11 0 "[ . 1 . 2]"
1 15 TRP 0.201 0.042 19 0 "[ . 1 . 2]"
1 16 VAL 1.310 0.098 7 0 "[ . 1 . 2]"
1 17 ARG 0.022 0.011 1 0 "[ . 1 . 2]"
1 18 ARG 0.871 0.110 7 0 "[ . 1 . 2]"
1 27 ARG 0.871 0.110 7 0 "[ . 1 . 2]"
1 29 LYS 1.310 0.098 7 0 "[ . 1 . 2]"
1 32 TYR 0.418 0.118 11 0 "[ . 1 . 2]"
1 33 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 VAL 2.463 0.152 6 0 "[ . 1 . 2]"
1 35 LEU 0.164 0.043 17 0 "[ . 1 . 2]"
1 36 LEU 1.799 0.113 5 0 "[ . 1 . 2]"
1 38 THR 1.469 0.104 7 0 "[ . 1 . 2]"
1 40 THR 0.231 0.040 19 0 "[ . 1 . 2]"
1 41 ALA 1.469 0.104 7 0 "[ . 1 . 2]"
1 42 LEU 0.173 0.066 13 0 "[ . 1 . 2]"
1 43 LYS 1.963 0.113 5 0 "[ . 1 . 2]"
1 45 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ILE 0.173 0.066 13 0 "[ . 1 . 2]"
1 53 ALA 0.231 0.040 19 0 "[ . 1 . 2]"
1 55 HIS 0.022 0.011 1 0 "[ . 1 . 2]"
1 57 LYS 0.201 0.042 19 0 "[ . 1 . 2]"
1 59 ALA 0.642 0.100 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 15 TRP O 1 57 LYS H 1.900 . 2.090 2.084 1.991 2.132 0.042 19 0 "[ . 1 . 2]" 2
2 1 15 TRP O 1 57 LYS N 2.850 2.570 3.130 3.018 2.890 3.096 . 0 0 "[ . 1 . 2]" 2
3 1 15 TRP H 1 57 LYS O 1.900 . 2.090 1.965 1.927 2.048 . 0 0 "[ . 1 . 2]" 2
4 1 15 TRP N 1 57 LYS O 2.850 2.570 3.130 2.844 2.696 2.980 . 0 0 "[ . 1 . 2]" 2
5 1 17 ARG H 1 55 HIS O 1.900 . 2.090 2.016 1.919 2.101 0.011 1 0 "[ . 1 . 2]" 2
6 1 17 ARG N 1 55 HIS O 2.850 2.570 3.130 2.835 2.729 2.963 . 0 0 "[ . 1 . 2]" 2
7 1 13 THR O 1 59 ALA H 1.900 . 2.090 2.104 1.970 2.190 0.100 5 0 "[ . 1 . 2]" 2
8 1 13 THR O 1 59 ALA N 2.850 2.570 3.130 2.956 2.818 3.079 . 0 0 "[ . 1 . 2]" 2
9 1 14 VAL O 1 32 TYR H 1.900 . 2.090 2.078 1.972 2.208 0.118 11 0 "[ . 1 . 2]" 2
10 1 14 VAL O 1 32 TYR N 2.850 2.570 3.130 2.864 2.755 2.984 . 0 0 "[ . 1 . 2]" 2
11 1 14 VAL H 1 32 TYR O 1.900 . 2.090 1.992 1.895 2.092 0.002 18 0 "[ . 1 . 2]" 2
12 1 14 VAL N 1 32 TYR O 2.850 2.570 3.130 2.940 2.841 3.054 . 0 0 "[ . 1 . 2]" 2
13 1 12 ASP H 1 34 VAL O 1.900 . 2.090 2.182 2.122 2.242 0.152 6 0 "[ . 1 . 2]" 2
14 1 12 ASP N 1 34 VAL O 2.850 2.570 3.130 3.065 3.002 3.175 0.045 6 0 "[ . 1 . 2]" 2
15 1 12 ASP O 1 34 VAL H 1.900 . 2.090 1.971 1.915 2.095 0.005 14 0 "[ . 1 . 2]" 2
16 1 12 ASP O 1 34 VAL N 2.850 2.570 3.130 2.879 2.773 3.011 . 0 0 "[ . 1 . 2]" 2
17 1 11 GLY H 1 34 VAL O 1.900 . 2.090 2.104 2.035 2.175 0.085 2 0 "[ . 1 . 2]" 2
18 1 11 GLY N 1 34 VAL O 2.850 2.570 3.130 2.871 2.745 2.997 . 0 0 "[ . 1 . 2]" 2
19 1 16 VAL H 1 29 LYS O 1.900 . 2.090 2.046 1.932 2.187 0.097 18 0 "[ . 1 . 2]" 2
20 1 16 VAL N 1 29 LYS O 2.850 2.570 3.130 2.949 2.850 3.071 . 0 0 "[ . 1 . 2]" 2
21 1 16 VAL O 1 29 LYS H 1.900 . 2.090 2.137 2.078 2.188 0.098 7 0 "[ . 1 . 2]" 2
22 1 16 VAL O 1 29 LYS N 2.850 2.570 3.130 3.021 2.915 3.129 . 0 0 "[ . 1 . 2]" 2
23 1 18 ARG H 1 27 ARG O 1.900 . 2.090 2.075 1.997 2.172 0.082 20 0 "[ . 1 . 2]" 2
24 1 18 ARG N 1 27 ARG O 2.850 2.570 3.130 2.910 2.704 3.059 . 0 0 "[ . 1 . 2]" 2
25 1 18 ARG O 1 27 ARG H 1.900 . 2.090 2.110 1.986 2.200 0.110 7 0 "[ . 1 . 2]" 2
26 1 18 ARG O 1 27 ARG N 2.850 2.570 3.130 2.886 2.743 3.035 . 0 0 "[ . 1 . 2]" 2
27 1 38 THR O 1 41 ALA H 1.900 . 2.090 2.130 2.051 2.194 0.104 7 0 "[ . 1 . 2]" 2
28 1 38 THR O 1 41 ALA N 2.850 2.570 3.130 3.085 2.999 3.161 0.031 11 0 "[ . 1 . 2]" 2
29 1 38 THR H 1 41 ALA O 1.900 . 2.090 2.093 1.981 2.192 0.102 12 0 "[ . 1 . 2]" 2
30 1 38 THR N 1 41 ALA O 2.850 2.570 3.130 2.943 2.856 3.021 . 0 0 "[ . 1 . 2]" 2
31 1 36 LEU H 1 43 LYS O 1.900 . 2.090 2.162 2.115 2.203 0.113 5 0 "[ . 1 . 2]" 2
32 1 36 LEU N 1 43 LYS O 2.850 2.570 3.130 3.129 3.046 3.193 0.063 5 0 "[ . 1 . 2]" 2
33 1 36 LEU O 1 43 LYS H 1.900 . 2.090 2.029 1.957 2.094 0.004 20 0 "[ . 1 . 2]" 2
34 1 36 LEU O 1 43 LYS N 2.850 2.570 3.130 2.819 2.753 2.921 . 0 0 "[ . 1 . 2]" 2
35 1 35 LEU H 1 43 LYS O 1.900 . 2.090 2.061 1.969 2.133 0.043 17 0 "[ . 1 . 2]" 2
36 1 35 LEU N 1 43 LYS O 2.850 2.570 3.130 2.959 2.841 3.085 . 0 0 "[ . 1 . 2]" 2
37 1 42 LEU O 1 51 ILE H 1.900 . 2.090 2.050 1.932 2.156 0.066 13 0 "[ . 1 . 2]" 2
38 1 42 LEU O 1 51 ILE N 2.850 2.570 3.130 2.990 2.867 3.108 . 0 0 "[ . 1 . 2]" 2
39 1 42 LEU H 1 51 ILE O 1.900 . 2.090 1.948 1.911 2.009 . 0 0 "[ . 1 . 2]" 2
40 1 42 LEU N 1 51 ILE O 2.850 2.570 3.130 2.896 2.820 2.983 . 0 0 "[ . 1 . 2]" 2
41 1 40 THR O 1 53 ALA H 1.900 . 2.090 2.095 2.038 2.130 0.040 19 0 "[ . 1 . 2]" 2
42 1 40 THR O 1 53 ALA N 2.850 2.570 3.130 3.034 2.955 3.101 . 0 0 "[ . 1 . 2]" 2
43 1 33 THR O 1 45 ASP H 1.900 . 2.090 1.969 1.906 2.085 . 0 0 "[ . 1 . 2]" 2
44 1 33 THR O 1 45 ASP N 2.850 2.570 3.130 2.920 2.845 3.054 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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