Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
572014 | 2mbd RC | 19396 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mbd
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 404
_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
;
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 1 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 2 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 3 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 4 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 6 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 8 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 11 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 12 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 13 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 15 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 16 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 18 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 20 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 21 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 22 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 23 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 24 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3 . 4 . ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 11 ALA H 1 11 ALA MB 3.240 . 3.740 2.149 2.108 2.185 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
2 1 9 ALA H 1 9 ALA MB 3.230 . 3.730 2.229 2.185 2.283 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
3 1 8 CYS H 1 8 CYS HB2 3.080 . 3.580 2.483 2.034 2.592 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
4 1 10 ILE H 1 10 ILE HB 3.090 . 3.590 2.545 2.364 2.674 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
5 1 3 PRO HA 1 4 ARG H 2.640 . 3.140 2.306 2.261 2.411 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
6 1 25 CYS H 1 25 CYS HB3 3.210 . 3.710 2.495 2.290 3.363 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
7 1 26 LYS H 1 26 LYS HA 2.860 . 3.360 2.242 2.141 2.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
8 1 1 GLY QA 1 2 LEU H 3.230 . 3.730 2.377 2.161 3.205 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
9 1 18 LYS H 1 19 GLY H 4.690 . 5.190 4.444 4.400 4.505 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
10 1 19 GLY H 1 22 LYS H 5.020 . 5.520 4.227 4.067 4.436 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
11 1 7 LEU H 1 8 CYS H 3.110 . 3.610 2.832 2.763 2.891 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
12 1 8 CYS H 1 9 ALA H 3.120 . 3.620 2.837 2.709 2.917 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
13 1 4 ARG H 1 6 ILE H 4.870 . 5.370 4.455 4.269 4.684 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
14 1 6 ILE H 1 8 CYS H 5.100 . 5.600 3.781 3.580 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
15 1 8 CYS H 1 11 ALA H 4.990 . 5.490 4.716 4.596 4.865 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
16 1 5 LYS H 1 6 ILE H 3.400 . 3.900 2.755 2.636 2.921 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
17 1 4 ARG H 1 4 ARG HE 5.500 . 6.000 4.369 3.316 5.264 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
18 1 17 CYS H 1 18 LYS H 4.390 . 4.890 4.305 3.949 4.485 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
19 1 5 LYS H 1 7 LEU H 4.920 . 5.420 4.250 4.109 4.461 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
20 1 15 GLY H 1 16 LYS H 3.330 . 3.830 2.426 2.116 2.597 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
21 1 14 LYS H 1 16 LYS H 4.550 . 5.050 3.846 3.619 4.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
22 1 25 CYS H 1 26 LYS H 3.190 . 3.690 2.356 2.053 2.647 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
23 1 24 VAL H 1 25 CYS H 2.880 . 3.380 2.672 2.034 2.844 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
24 1 25 CYS H 1 27 CYS H 5.420 . 5.920 4.315 3.870 5.245 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
25 1 22 LYS H 1 25 CYS H 5.220 . 5.720 4.765 4.640 4.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
26 1 10 ILE H 1 11 ALA H 3.180 . 3.680 2.616 2.131 2.875 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
27 1 9 ALA H 1 10 ILE H 3.160 . 3.660 2.528 2.388 2.662 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
28 1 6 ILE H 1 7 LEU H 2.970 . 3.470 2.335 2.138 2.664 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
29 1 12 LYS H 1 13 LYS H 3.250 . 3.750 2.662 2.455 2.851 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
30 1 14 LYS H 1 15 GLY H 3.380 . 3.880 2.537 2.474 2.595 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
31 1 13 LYS H 1 14 LYS H 3.240 . 3.740 2.690 2.548 2.908 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
32 1 9 ALA H 1 11 ALA H 4.640 . 5.140 4.097 3.917 4.352 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
33 1 24 VAL H 1 26 LYS H 5.140 . 5.640 4.023 3.364 4.199 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
34 1 26 LYS H 1 27 CYS H 3.670 . 4.170 2.918 2.567 3.666 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
35 1 22 LYS H 1 23 LEU H 3.080 . 3.580 2.693 2.574 2.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
36 1 4 ARG HA 1 4 ARG HE 5.370 . 5.870 4.970 4.177 5.598 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
37 1 17 CYS H 1 17 CYS HB3 3.360 . 3.860 2.677 2.264 2.867 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
38 1 17 CYS H 1 17 CYS HB2 3.740 . 4.240 2.732 2.167 3.491 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
39 1 27 CYS H 1 27 CYS HB2 3.970 . 4.470 2.516 2.333 2.797 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
40 1 27 CYS H 1 27 CYS HB3 3.970 . 4.470 3.624 2.556 3.853 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
41 1 12 LYS H 1 12 LYS HB2 3.610 . 4.110 2.608 2.099 3.691 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
42 1 12 LYS H 1 12 LYS HB3 3.610 . 4.110 3.330 2.301 3.644 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
43 1 13 LYS H 1 13 LYS QB 3.050 . 3.550 2.280 2.105 2.534 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
44 1 12 LYS QG 1 13 LYS H 5.760 . 6.260 3.988 2.541 4.600 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
45 1 13 LYS H 1 13 LYS HG3 5.390 . 5.890 3.514 2.404 4.519 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
46 1 9 ALA MB 1 13 LYS H 5.980 . 6.480 4.920 4.584 5.149 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
47 1 13 LYS H 1 13 LYS HG2 5.390 . 5.890 4.100 2.552 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
48 1 12 LYS H 1 12 LYS QE 6.170 . 6.670 3.744 3.169 4.184 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
49 1 14 LYS H 1 14 LYS HD2 3.960 . 4.460 2.988 2.583 3.197 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
50 1 14 LYS H 1 14 LYS HD3 3.960 . 4.460 2.820 2.677 3.202 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
51 1 22 LYS H 1 22 LYS QD 5.060 . 5.560 4.417 4.307 4.602 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
52 1 26 LYS H 1 26 LYS HB3 4.170 . 4.670 3.915 2.992 4.136 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
53 1 26 LYS H 1 26 LYS HB2 4.170 . 4.670 3.337 2.801 4.018 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
54 1 19 GLY H 1 21 LEU H 5.430 . 5.930 5.120 4.626 5.276 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
55 1 6 ILE MG 1 8 CYS H 5.840 . 6.340 4.894 4.741 4.953 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
56 1 7 LEU MD1 1 8 CYS H 6.610 . 7.110 4.500 3.507 4.871 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
57 1 4 ARG H 1 24 VAL MG1 6.610 . 7.110 5.293 4.580 5.545 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
58 1 7 LEU MD2 1 8 CYS H 6.610 . 7.110 4.695 4.247 4.877 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
59 1 5 LYS H 1 6 ILE MD 6.610 . 7.110 5.014 3.752 5.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
60 1 18 LYS QG 1 19 GLY H 5.510 . 6.010 3.772 3.478 4.413 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
61 1 18 LYS HB3 1 19 GLY H 4.000 . 4.500 2.893 2.176 3.816 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
62 1 19 GLY H 1 22 LYS HB2 5.220 . 5.720 3.860 3.402 4.312 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
63 1 19 GLY H 1 22 LYS QD 5.970 . 6.470 3.778 3.175 5.375 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
64 1 18 LYS HB2 1 19 GLY H 4.000 . 4.500 3.162 2.258 3.847 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
65 1 19 GLY H 1 22 LYS HB3 4.450 . 4.950 3.440 2.964 4.339 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
66 1 8 CYS H 1 9 ALA MB 5.390 . 5.890 4.495 4.419 4.529 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
67 1 8 CYS H 1 11 ALA MB 5.970 . 6.470 4.435 4.140 4.657 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
68 1 4 ARG H 1 4 ARG QG 3.660 . 4.160 2.273 2.127 2.496 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
69 1 7 LEU QB 1 8 CYS H 4.040 . 4.540 2.792 2.599 2.937 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
70 1 3 PRO QG 1 4 ARG H 5.590 . 6.090 4.373 4.021 4.694 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
71 1 3 PRO QG 1 5 LYS H 6.170 . 6.670 4.147 3.108 5.445 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
72 1 16 LYS HB2 1 17 CYS H 4.750 . 5.250 4.242 3.392 4.638 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
73 1 4 ARG H 1 4 ARG HB2 3.660 . 4.160 2.766 2.384 3.631 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
74 1 5 LYS H 1 5 LYS HB2 3.760 . 4.260 3.222 2.156 3.670 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
75 1 4 ARG H 1 4 ARG HB3 3.660 . 4.160 3.320 2.394 3.639 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
76 1 5 LYS H 1 5 LYS HB3 3.760 . 4.260 2.605 2.245 3.619 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
77 1 4 ARG QG 1 5 LYS H 5.630 . 6.130 3.855 2.413 4.381 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
78 1 16 LYS HB3 1 17 CYS H 4.440 . 4.940 4.094 2.929 4.495 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
79 1 5 LYS H 1 5 LYS QG 4.880 . 5.380 2.699 2.082 3.992 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
80 1 11 ALA MB 1 17 CYS H 6.300 . 6.800 3.577 2.904 4.647 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
81 1 17 CYS H 1 18 LYS QG 5.230 . 5.730 4.170 2.984 4.723 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
82 1 2 LEU H 1 2 LEU HG 3.960 . 4.460 3.054 2.393 3.981 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
83 1 2 LEU H 1 2 LEU HB2 4.160 . 4.660 2.530 2.245 3.596 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
84 1 2 LEU H 1 2 LEU HB3 4.160 . 4.660 3.667 3.528 4.129 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
85 1 14 LYS HB3 1 16 LYS H 5.020 . 5.520 3.660 3.092 4.179 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
86 1 16 LYS H 1 16 LYS HB3 3.500 . 4.000 2.898 2.273 3.604 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
87 1 16 LYS H 1 16 LYS HB2 4.070 . 4.570 2.683 2.195 3.181 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
88 1 14 LYS HB2 1 16 LYS H 5.020 . 5.520 3.338 2.943 3.628 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
89 1 24 VAL HB 1 25 CYS H 3.470 . 3.970 2.658 2.520 2.899 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
90 1 21 LEU HB3 1 25 CYS H 5.500 . 6.000 5.421 5.137 5.550 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
91 1 23 LEU HB3 1 25 CYS H 5.500 . 6.000 5.234 5.064 5.569 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
92 1 25 CYS H 1 26 LYS QG 6.170 . 6.670 5.012 4.306 5.680 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
93 1 11 ALA MB 1 16 LYS H 5.610 . 6.110 3.978 3.588 4.311 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
94 1 16 LYS H 1 16 LYS HG2 5.060 . 5.560 4.175 2.512 4.911 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
95 1 16 LYS H 1 16 LYS HG3 5.060 . 5.560 4.342 2.966 4.926 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
96 1 24 VAL MG2 1 25 CYS H 4.800 . 5.300 3.979 3.879 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
97 1 21 LEU MD1 1 25 CYS H 6.610 . 7.110 3.639 3.293 5.568 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
98 1 24 VAL MG1 1 25 CYS H 4.490 . 4.990 3.329 3.171 3.660 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
99 1 21 LEU MD2 1 25 CYS H 6.610 . 7.110 5.237 2.983 5.584 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
100 1 9 ALA MB 1 10 ILE H 3.760 . 4.260 2.596 2.281 3.096 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
101 1 10 ILE H 1 11 ALA MB 5.640 . 6.140 4.176 3.697 4.423 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
102 1 11 ALA MB 1 12 LYS H 3.920 . 4.420 2.448 2.173 2.698 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
103 1 6 ILE MG 1 7 LEU H 4.500 . 5.000 3.338 2.867 3.703 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
104 1 7 LEU H 1 7 LEU MD1 5.400 . 5.900 3.938 3.544 4.364 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
105 1 7 LEU H 1 7 LEU MD2 5.400 . 5.900 3.919 3.460 4.320 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
106 1 10 ILE H 1 10 ILE MD 4.710 . 5.210 3.210 2.920 3.717 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
107 1 24 VAL MG1 1 26 LYS H 6.610 . 7.110 4.922 4.829 5.110 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
108 1 10 ILE MG 1 11 ALA H 4.250 . 4.750 3.479 3.303 3.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
109 1 10 ILE MD 1 11 ALA H 5.740 . 6.240 4.605 4.345 4.782 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
110 1 10 ILE HB 1 11 ALA H 3.250 . 3.750 2.500 2.349 2.762 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
111 1 13 LYS QB 1 14 LYS H 3.690 . 4.190 2.698 2.475 2.880 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
112 1 14 LYS H 1 14 LYS QG 4.500 . 5.000 3.690 3.634 3.750 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
113 1 24 VAL HB 1 26 LYS H 5.500 . 6.000 4.858 4.706 5.050 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
114 1 11 ALA MB 1 15 GLY H 6.170 . 6.670 4.978 4.635 5.164 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
115 1 11 ALA MB 1 13 LYS H 5.550 . 6.050 4.531 4.365 4.649 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
116 1 14 LYS HB2 1 15 GLY H 4.780 . 5.280 3.427 3.162 3.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
117 1 14 LYS HB3 1 15 GLY H 4.780 . 5.280 3.912 3.639 4.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
118 1 14 LYS HD2 1 15 GLY H 5.500 . 6.000 5.019 4.859 5.092 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
119 1 14 LYS HD3 1 15 GLY H 5.500 . 6.000 5.156 4.951 5.419 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
120 1 15 GLY H 1 16 LYS HB3 5.500 . 6.000 5.046 4.440 5.635 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
121 1 14 LYS QG 1 15 GLY H 6.170 . 6.670 4.891 4.766 4.987 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
122 1 13 LYS H 1 13 LYS QD 5.430 . 5.930 4.067 2.626 4.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
123 1 10 ILE MG 1 13 LYS H 6.150 . 6.650 4.859 4.472 5.072 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
124 1 9 ALA H 1 10 ILE MD 6.440 . 6.940 4.812 4.432 5.150 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
125 1 6 ILE MG 1 9 ALA H 5.570 . 6.070 4.384 3.955 4.642 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
126 1 9 ALA H 1 10 ILE HG13 5.500 . 6.000 5.010 3.754 5.601 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
127 1 9 ALA H 1 11 ALA MB 6.170 . 6.670 4.688 4.482 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
128 1 7 LEU QB 1 9 ALA H 5.780 . 6.280 4.853 4.726 4.982 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
129 1 9 ALA H 1 10 ILE HG12 5.500 . 6.000 4.481 3.865 5.622 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
130 1 9 ALA H 1 10 ILE HB 5.220 . 5.720 4.740 4.433 4.918 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
131 1 18 LYS H 1 21 LEU HB3 3.880 . 4.380 2.637 2.480 2.869 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
132 1 18 LYS H 1 21 LEU HG 5.500 . 6.000 4.324 3.884 5.334 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
133 1 26 LYS QD 1 27 CYS H 4.980 . 5.480 3.996 2.767 4.616 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
134 1 18 LYS H 1 21 LEU HB2 4.160 . 4.660 3.814 3.410 4.201 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
135 1 22 LYS QD 1 27 CYS H 5.340 . 5.840 4.511 2.163 4.855 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
136 1 26 LYS QG 1 27 CYS H 4.840 . 5.340 4.294 2.650 4.515 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
137 1 22 LYS QG 1 27 CYS H 5.710 . 6.210 2.910 2.231 4.460 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
138 1 18 LYS H 1 18 LYS QG 4.730 . 5.230 3.009 2.434 3.510 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
139 1 18 LYS H 1 21 LEU MD1 6.150 . 6.650 4.807 3.172 5.193 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
140 1 18 LYS H 1 21 LEU MD2 6.150 . 6.650 4.244 3.040 5.154 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
141 1 21 LEU H 1 24 VAL MG2 5.920 . 6.420 4.570 4.325 4.704 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
142 1 22 LYS H 1 24 VAL MG2 6.110 . 6.610 5.178 4.967 5.226 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
143 1 21 LEU H 1 21 LEU MD1 5.240 . 5.740 4.235 3.969 4.373 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
144 1 21 LEU MD1 1 22 LYS H 6.110 . 6.610 4.369 4.038 4.714 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
145 1 21 LEU H 1 21 LEU MD2 5.240 . 5.740 3.918 3.445 4.389 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
146 1 21 LEU MD2 1 22 LYS H 6.110 . 6.610 4.674 4.126 4.847 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
147 1 22 LYS H 1 22 LYS QG 4.890 . 5.390 3.979 3.847 4.013 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
148 1 21 LEU H 1 21 LEU HB2 3.600 . 4.100 2.297 2.084 2.704 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
149 1 22 LYS H 1 22 LYS HB2 3.290 . 3.790 2.596 2.232 2.823 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
150 1 21 LEU H 1 21 LEU HB3 3.190 . 3.690 2.794 2.515 3.041 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
151 1 22 LYS H 1 22 LYS HB3 3.350 . 3.850 2.421 2.243 2.864 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
152 1 21 LEU HB3 1 22 LYS H 4.310 . 4.810 2.775 2.562 3.001 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
153 1 20 PRO HG2 1 21 LEU H 4.800 . 5.300 3.198 2.279 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
154 1 3 PRO QG 1 6 ILE H 5.320 . 5.820 3.314 2.474 4.749 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
155 1 6 ILE H 1 6 ILE HB 3.210 . 3.710 2.471 2.222 2.673 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
156 1 5 LYS HB2 1 6 ILE H 4.730 . 5.230 3.999 2.559 4.354 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
157 1 22 LYS HB3 1 23 LEU H 3.820 . 4.320 2.701 2.478 3.005 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
158 1 23 LEU H 1 23 LEU HB2 3.020 . 3.520 2.486 2.044 2.683 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
159 1 24 VAL H 1 24 VAL HB 3.260 . 3.760 2.356 2.272 2.511 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
160 1 23 LEU H 1 23 LEU HB3 3.120 . 3.620 2.482 2.380 3.377 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
161 1 23 LEU HB3 1 24 VAL H 3.500 . 4.000 2.748 2.487 3.525 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
162 1 22 LYS HB2 1 23 LEU H 4.130 . 4.630 3.970 3.590 4.151 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
163 1 5 LYS HB3 1 6 ILE H 4.730 . 5.230 3.781 2.446 4.313 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
164 1 5 LYS QD 1 6 ILE H 5.490 . 5.990 4.607 2.459 4.960 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
165 1 6 ILE H 1 7 LEU QB 5.790 . 6.290 4.042 3.703 4.512 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
166 1 6 ILE H 1 6 ILE HG12 4.000 . 4.500 3.838 2.395 4.065 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
167 1 20 PRO HG3 1 21 LEU H 4.800 . 5.300 4.322 3.892 4.780 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
168 1 5 LYS QG 1 6 ILE H 5.960 . 6.460 3.113 2.528 4.643 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
169 1 6 ILE H 1 6 ILE HG13 4.000 . 4.500 3.078 2.496 4.081 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
170 1 22 LYS QG 1 23 LEU H 5.800 . 6.300 3.562 3.157 4.114 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
171 1 22 LYS QD 1 23 LEU H 5.870 . 6.370 4.666 4.239 5.206 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
172 1 24 VAL H 1 24 VAL MG2 3.410 . 3.910 2.292 2.094 2.747 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
173 1 6 ILE H 1 6 ILE MD 5.250 . 5.750 3.415 2.154 3.968 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
174 1 4 ARG HE 1 24 VAL MG1 5.880 . 6.380 4.019 2.077 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
175 1 10 ILE MG 1 16 LYS H 6.610 . 7.110 5.524 5.305 5.618 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
176 1 2 LEU H 1 3 PRO HD2 5.360 . 5.860 5.035 4.449 5.386 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
177 1 3 PRO HD2 1 4 ARG H 5.500 . 6.000 5.483 5.212 5.537 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
178 1 17 CYS H 1 27 CYS HB2 5.500 . 6.000 5.538 5.117 5.617 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
179 1 17 CYS H 1 27 CYS HB3 5.500 . 6.000 4.929 4.689 5.532 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
180 1 5 LYS H 1 5 LYS QE 6.170 . 6.670 4.613 3.987 5.670 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
181 1 16 LYS QE 1 17 CYS H 6.170 . 6.670 5.305 4.484 5.605 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
182 1 8 CYS H 1 8 CYS HB3 3.590 . 4.090 2.491 2.272 3.566 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
183 1 4 ARG H 1 4 ARG QD 5.280 . 5.780 3.956 3.052 4.299 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
184 1 16 LYS H 1 17 CYS HB3 5.500 . 6.000 4.897 3.865 5.253 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
185 1 16 LYS H 1 17 CYS HB2 5.190 . 5.690 4.240 3.702 5.412 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
186 1 12 LYS H 1 17 CYS HB2 5.040 . 5.540 4.006 3.079 5.187 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
187 1 17 CYS HB2 1 18 LYS H 4.430 . 4.930 4.406 3.648 4.544 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
188 1 7 LEU H 1 8 CYS HB2 5.310 . 5.810 5.142 4.556 5.290 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
189 1 3 PRO HD2 1 7 LEU H 5.250 . 5.750 4.259 3.827 4.759 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
190 1 12 LYS H 1 17 CYS HB3 5.500 . 6.000 5.269 3.661 5.608 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
191 1 25 CYS HB3 1 26 LYS H 4.150 . 4.650 3.380 3.021 4.099 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
192 1 25 CYS H 1 25 CYS HB2 3.800 . 4.300 2.533 2.051 2.773 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
193 1 25 CYS HB2 1 26 LYS H 4.130 . 4.630 4.140 3.419 4.251 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
194 1 12 LYS QE 1 13 LYS H 6.170 . 6.670 4.992 4.294 5.733 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
195 1 13 LYS H 1 13 LYS QE 6.170 . 6.670 4.627 3.479 5.661 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
196 1 8 CYS HB3 1 9 ALA H 4.140 . 4.640 2.974 2.804 4.047 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
197 1 8 CYS HB2 1 9 ALA H 4.110 . 4.610 4.058 2.983 4.177 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
198 1 25 CYS HB3 1 27 CYS H 5.360 . 5.860 3.916 3.088 5.394 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
199 1 17 CYS HB3 1 18 LYS H 4.350 . 4.850 4.270 4.086 4.442 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
200 1 24 VAL H 1 25 CYS HB3 5.150 . 5.650 4.953 4.702 5.415 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
201 1 24 VAL H 1 25 CYS HB2 5.500 . 6.000 4.831 3.810 5.253 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
202 1 26 LYS QE 1 27 CYS H 5.850 . 6.350 5.056 3.251 5.321 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
203 1 3 PRO HD2 1 6 ILE H 5.120 . 5.620 4.062 3.152 4.392 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
204 1 17 CYS HB3 1 22 LYS H 5.500 . 6.000 5.565 5.472 5.608 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
205 1 18 LYS HA 1 19 GLY H 2.990 . 3.490 2.395 2.252 2.636 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
206 1 16 LYS HA 1 17 CYS H 3.350 . 3.850 2.914 2.122 3.440 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
207 1 8 CYS H 1 9 ALA HA 5.500 . 6.000 5.462 5.359 5.526 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
208 1 15 GLY HA2 1 17 CYS H 5.320 . 5.820 3.971 3.292 5.198 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
209 1 2 LEU H 1 3 PRO HD3 5.090 . 5.590 4.906 4.209 5.117 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
210 1 11 ALA HA 1 16 LYS H 4.210 . 4.710 3.197 2.827 3.454 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
211 1 13 LYS HA 1 15 GLY H 5.120 . 5.620 4.243 3.923 4.569 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
212 1 14 LYS HA 1 16 LYS H 4.810 . 5.310 4.732 4.401 4.881 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
213 1 21 LEU HA 1 25 CYS H 4.290 . 4.790 3.817 3.343 4.124 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
214 1 23 LEU HA 1 25 CYS H 4.700 . 5.200 4.644 4.309 4.761 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
215 1 8 CYS HA 1 10 ILE H 5.020 . 5.520 4.355 3.650 4.688 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
216 1 10 ILE H 1 11 ALA HA 5.500 . 6.000 5.235 4.803 5.467 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
217 1 8 CYS HA 1 12 LYS H 5.030 . 5.530 3.949 3.196 4.561 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
218 1 8 CYS HA 1 11 ALA H 3.870 . 4.370 3.389 2.846 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
219 1 3 PRO HA 1 7 LEU H 5.500 . 6.000 5.033 4.899 5.167 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
220 1 26 LYS H 1 27 CYS HA 5.500 . 6.000 5.274 5.036 5.545 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
221 1 23 LEU HA 1 26 LYS H 5.500 . 6.000 3.925 3.478 4.398 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
222 1 11 ALA HA 1 14 LYS H 4.860 . 5.360 3.916 3.563 4.418 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
223 1 14 LYS H 1 15 GLY HA2 4.900 . 5.400 4.845 4.782 4.907 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
224 1 7 LEU HA 1 11 ALA H 4.530 . 5.030 4.014 3.671 4.278 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
225 1 10 ILE HA 1 14 LYS H 5.300 . 5.800 3.893 3.671 4.138 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
226 1 22 LYS HA 1 26 LYS H 5.010 . 5.510 3.833 3.450 4.481 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
227 1 11 ALA HA 1 13 LYS H 4.820 . 5.320 4.628 4.416 4.876 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
228 1 10 ILE HA 1 13 LYS H 3.830 . 4.330 3.621 3.183 3.857 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
229 1 13 LYS H 1 14 LYS HA 5.500 . 6.000 5.398 5.287 5.559 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
230 1 15 GLY H 1 16 LYS HA 5.500 . 6.000 5.179 4.932 5.322 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
231 1 14 LYS HA 1 15 GLY H 3.570 . 4.070 3.436 3.372 3.516 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
232 1 6 ILE HA 1 9 ALA H 3.840 . 4.340 3.529 2.837 3.864 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
233 1 4 ARG HA 1 7 LEU H 3.590 . 4.090 3.432 3.057 3.607 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
234 1 7 LEU HA 1 9 ALA H 4.550 . 5.050 4.101 3.875 4.401 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
235 1 9 ALA H 1 10 ILE HA 5.320 . 5.820 5.242 5.100 5.340 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
236 1 17 CYS HA 1 18 LYS H 2.800 . 3.300 2.150 2.092 2.257 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
237 1 26 LYS HA 1 27 CYS H 2.970 . 3.470 2.297 1.955 2.795 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
238 1 22 LYS HA 1 27 CYS H 3.540 . 4.040 2.731 2.361 3.271 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
239 1 20 PRO HD2 1 21 LEU H 4.150 . 4.650 2.872 2.720 3.095 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
240 1 20 PRO HD3 1 21 LEU H 4.150 . 4.650 4.078 3.933 4.192 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
241 1 19 GLY HA3 1 22 LYS H 5.270 . 5.770 4.608 4.476 4.748 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
242 1 19 GLY HA2 1 22 LYS H 5.270 . 5.770 4.704 2.944 5.041 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
243 1 20 PRO HA 1 22 LYS H 4.660 . 5.160 4.447 4.171 4.700 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
244 1 18 LYS HA 1 22 LYS H 4.660 . 5.160 3.736 3.330 3.995 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
245 1 3 PRO HA 1 6 ILE H 5.400 . 5.900 4.904 4.678 5.151 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
246 1 21 LEU HA 1 24 VAL H 3.570 . 4.070 3.338 3.003 3.548 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
247 1 20 PRO HA 1 23 LEU H 4.130 . 4.630 3.517 3.371 4.007 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
248 1 18 LYS HA 1 23 LEU H 5.500 . 6.000 5.564 5.412 5.649 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
249 1 6 ILE H 1 9 ALA H 5.470 . 5.970 5.077 4.726 5.484 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
250 1 23 LEU H 1 27 CYS H 5.500 . 6.000 5.298 5.006 5.620 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
251 1 21 LEU H 1 23 LEU H 5.480 . 5.980 4.188 3.600 4.475 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
252 1 21 LEU H 1 24 VAL H 5.500 . 6.000 4.732 4.506 4.940 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
253 1 2 LEU HA 1 3 PRO HD3 3.090 . 3.590 2.290 2.050 2.470 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
254 1 1 GLY QA 1 2 LEU HA 5.430 . 5.930 3.822 2.035 4.066 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
255 1 2 LEU HA 1 3 PRO HD2 3.350 . 3.850 2.550 2.273 3.036 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
256 1 2 LEU HA 1 3 PRO QG 5.060 . 5.560 4.025 3.882 4.109 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
257 1 2 LEU HA 1 6 ILE HB 5.350 . 5.850 4.482 4.135 4.941 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
258 1 7 LEU HA 1 8 CYS HA 5.500 . 6.000 4.874 4.772 4.955 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
259 1 18 LYS HA 1 22 LYS HA 5.500 . 6.000 4.703 4.275 5.226 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
260 1 3 PRO HA 1 4 ARG HA 5.290 . 5.790 4.340 4.242 4.441 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
261 1 15 GLY HA3 1 16 LYS HA 5.460 . 5.960 4.664 4.612 4.725 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
262 1 12 LYS HA 1 17 CYS HB3 5.140 . 5.640 4.197 3.045 4.898 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
263 1 17 CYS HB3 1 22 LYS HA 5.440 . 5.940 4.277 3.779 4.609 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
264 1 22 LYS HA 1 27 CYS HB2 3.980 . 4.480 2.424 2.222 2.780 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
265 1 22 LYS HA 1 27 CYS HB3 3.980 . 4.480 3.967 2.695 4.070 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
266 1 17 CYS HB3 1 27 CYS HB2 4.460 . 4.960 3.034 2.899 3.860 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
267 1 17 CYS HB3 1 27 CYS HB3 4.460 . 4.960 2.548 2.280 4.608 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
268 1 4 ARG HA 1 4 ARG QD 4.600 . 5.100 3.758 2.111 4.272 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
269 1 5 LYS HA 1 8 CYS HB3 4.270 . 4.770 3.374 2.552 4.335 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
270 1 8 CYS HB3 1 9 ALA HA 5.070 . 5.570 4.578 4.288 4.721 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
271 1 9 ALA HA 1 12 LYS QE 6.170 . 6.670 3.608 2.089 5.525 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
272 1 8 CYS HA 1 12 LYS QE 5.010 . 5.510 4.298 3.231 4.536 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
273 1 12 LYS HA 1 17 CYS HB2 4.970 . 5.470 3.671 2.765 4.970 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
274 1 17 CYS HB2 1 27 CYS HB2 5.500 . 6.000 4.146 2.342 4.446 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
275 1 17 CYS HB2 1 27 CYS HB3 5.500 . 6.000 3.625 2.778 4.068 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
276 1 5 LYS HA 1 8 CYS HB2 4.290 . 4.790 3.760 2.566 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
277 1 21 LEU HA 1 24 VAL HB 3.700 . 4.200 2.429 2.140 2.675 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
278 1 3 PRO HD2 1 6 ILE HB 3.860 . 4.360 2.509 2.326 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
279 1 10 ILE HA 1 13 LYS QB 4.180 . 4.680 2.660 2.280 3.079 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
280 1 10 ILE HA 1 10 ILE HG12 4.010 . 4.510 3.079 2.554 3.431 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
281 1 10 ILE HA 1 13 LYS QD 5.110 . 5.610 3.695 2.885 4.602 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
282 1 9 ALA MB 1 10 ILE HA 5.220 . 5.720 3.999 3.729 4.306 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
283 1 10 ILE HA 1 10 ILE HG13 4.010 . 4.510 3.584 2.863 3.919 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
284 1 6 ILE HA 1 6 ILE HG13 4.110 . 4.610 2.897 2.468 3.902 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
285 1 11 ALA HA 1 16 LYS HB2 5.500 . 6.000 3.914 2.222 5.502 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
286 1 15 GLY HA2 1 16 LYS HB2 5.500 . 6.000 5.256 5.036 5.514 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
287 1 11 ALA HA 1 16 LYS HB3 4.290 . 4.790 3.255 2.229 4.132 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
288 1 6 ILE HA 1 6 ILE HG12 4.110 . 4.610 2.899 2.388 3.745 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
289 1 6 ILE HA 1 9 ALA MB 4.960 . 5.460 3.273 2.662 3.755 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
290 1 4 ARG HA 1 7 LEU QB 3.960 . 4.460 2.272 2.122 2.456 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
291 1 4 ARG HA 1 7 LEU HG 5.020 . 5.520 4.129 3.544 5.031 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
292 1 11 ALA MB 1 12 LYS HA 4.940 . 5.440 3.985 3.636 4.132 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
293 1 21 LEU HA 1 21 LEU HG 4.060 . 4.560 3.406 2.562 3.735 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
294 1 11 ALA MB 1 17 CYS HA 4.360 . 4.860 2.549 2.246 3.331 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
295 1 18 LYS HA 1 22 LYS QG 5.970 . 6.470 4.036 3.284 4.611 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
296 1 8 CYS HA 1 11 ALA MB 4.050 . 4.550 2.419 2.061 3.098 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
297 1 18 LYS HA 1 22 LYS QD 5.330 . 5.830 2.991 2.524 4.571 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
298 1 18 LYS HA 1 22 LYS HB3 4.250 . 4.750 3.156 2.854 3.784 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
299 1 20 PRO HA 1 23 LEU HB2 4.650 . 5.150 3.677 2.417 4.430 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
300 1 17 CYS HA 1 21 LEU HB3 4.430 . 4.930 3.050 2.172 3.718 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
301 1 14 LYS HA 1 14 LYS HD2 4.270 . 4.770 2.700 2.514 3.221 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
302 1 14 LYS HA 1 14 LYS HD3 4.270 . 4.770 3.740 3.595 4.224 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
303 1 23 LEU HA 1 23 LEU HG 3.870 . 4.370 3.090 2.469 3.780 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
304 1 16 LYS HB3 1 17 CYS HA 5.350 . 5.850 4.759 4.256 5.130 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
305 1 17 CYS HA 1 21 LEU HB2 5.500 . 6.000 4.417 3.498 5.150 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
306 1 20 PRO HA 1 23 LEU HB3 4.440 . 4.940 2.814 2.409 3.873 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
307 1 2 LEU HB3 1 3 PRO HD2 4.430 . 4.930 2.550 2.314 2.989 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
308 1 2 LEU HB2 1 3 PRO HD2 4.430 . 4.930 4.071 3.869 4.439 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
309 1 4 ARG QD 1 24 VAL HB 5.480 . 5.980 4.038 2.971 4.883 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
310 1 11 ALA MB 1 17 CYS HB2 4.840 . 5.340 2.219 2.059 3.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
311 1 12 LYS QG 1 17 CYS HB2 6.170 . 6.670 3.870 2.647 5.557 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
312 1 17 CYS HB2 1 22 LYS HB2 5.450 . 5.950 5.212 2.852 5.543 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
313 1 6 ILE MG 1 10 ILE MD 5.490 . 5.990 3.140 2.096 3.825 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
314 1 5 LYS QG 1 6 ILE MD 5.810 . 6.310 3.412 2.047 4.325 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
315 1 11 ALA MB 1 21 LEU MD1 5.190 . 5.690 2.841 2.075 3.632 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
316 1 11 ALA MB 1 21 LEU MD2 5.190 . 5.690 2.872 1.978 3.638 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
317 1 10 ILE MG 1 14 LYS QG 6.080 . 6.580 3.178 2.932 3.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
318 1 4 ARG QG 1 24 VAL MG2 6.160 . 6.660 3.994 3.300 4.582 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
319 1 23 LEU HB3 1 24 VAL MG2 5.780 . 6.280 3.255 2.882 3.868 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
320 1 23 LEU HB2 1 24 VAL MG2 6.610 . 7.110 4.748 3.520 5.071 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
321 1 3 PRO QG 1 6 ILE MD 5.610 . 6.110 2.491 2.088 3.403 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
322 1 22 LYS HB2 1 22 LYS QD 3.540 . 4.040 2.424 2.306 2.922 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
323 1 6 ILE MG 1 9 ALA MB 5.750 . 6.250 3.521 2.766 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
324 1 3 PRO HD2 1 6 ILE MG 5.740 . 6.240 3.470 3.010 3.756 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
325 1 3 PRO HD2 1 6 ILE MD 4.970 . 5.470 2.649 2.147 3.738 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
326 1 4 ARG QD 1 24 VAL MG1 5.080 . 5.580 2.302 2.093 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
327 1 4 ARG QD 1 24 VAL MG2 6.000 . 6.500 2.866 2.130 4.469 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
328 1 24 VAL MG1 1 25 CYS HB2 4.980 . 5.480 3.210 2.743 4.194 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
329 1 10 ILE MG 1 14 LYS QE 5.310 . 5.810 2.710 2.406 3.446 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
330 1 11 ALA MB 1 17 CYS HB3 5.340 . 5.840 3.523 2.042 3.777 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
331 1 10 ILE MG 1 11 ALA HA 4.890 . 5.390 3.619 3.350 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
332 1 3 PRO HD3 1 6 ILE MD 5.260 . 5.760 3.751 3.221 4.507 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
333 1 7 LEU HA 1 10 ILE MD 5.280 . 5.780 3.726 2.350 4.419 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
334 1 21 LEU HA 1 24 VAL MG1 4.780 . 5.280 3.749 3.516 3.985 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
335 1 21 LEU HA 1 24 VAL MG2 3.890 . 4.390 3.170 2.895 3.300 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
336 1 17 CYS HA 1 21 LEU MD2 6.150 . 6.650 3.825 2.281 5.156 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
337 1 17 CYS HA 1 21 LEU MD1 6.150 . 6.650 4.198 2.333 5.189 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
338 1 10 ILE MG 1 11 ALA MB 6.590 . 7.090 4.222 3.982 4.509 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
339 1 9 ALA MB 1 10 ILE MD 5.220 . 5.720 3.484 3.113 3.710 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
340 1 4 ARG QG 1 24 VAL MG1 4.490 . 4.990 3.053 2.412 3.447 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
341 1 11 ALA MB 1 21 LEU HG 5.100 . 5.600 2.935 2.472 4.237 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
342 1 11 ALA MB 1 12 LYS QD 6.010 . 6.510 4.444 2.966 4.650 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
343 1 5 LYS QE 1 6 ILE MD 6.070 . 6.570 3.857 2.175 4.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
344 1 2 LEU QB 1 3 PRO HD2 4.210 . 4.710 2.525 2.297 2.945 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
345 1 2 LEU QB 1 3 PRO HD3 4.790 . 5.290 3.601 3.045 3.982 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
346 1 2 LEU QB 1 6 ILE H 5.600 . 6.100 4.357 4.068 4.810 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
347 1 2 LEU QB 1 7 LEU H 5.010 . 5.510 3.162 2.707 3.662 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
348 1 2 LEU CG 1 3 PRO HD2 6.020 . 6.520 3.934 3.368 4.535 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
349 1 2 LEU CG 1 3 PRO HD3 5.840 . 6.340 4.668 4.137 5.019 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
350 1 3 PRO QB 1 4 ARG H 4.240 . 4.740 2.878 2.599 3.145 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
351 1 3 PRO QB 1 5 LYS H 5.230 . 5.730 3.018 2.749 3.404 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
352 1 3 PRO QB 1 6 ILE H 5.720 . 6.220 3.482 2.413 3.988 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
353 1 3 PRO HD2 1 6 ILE QG 5.200 . 5.700 3.482 2.052 4.099 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
354 1 4 ARG H 1 4 ARG QB 3.320 . 3.820 2.433 2.352 2.576 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
355 1 4 ARG H 1 7 LEU CG 7.640 . 8.140 6.033 5.258 6.601 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
356 1 4 ARG QB 1 5 LYS H 4.370 . 4.870 2.972 2.554 3.686 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
357 1 4 ARG QB 1 24 VAL MG2 6.670 . 7.170 3.957 3.317 4.912 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
358 1 5 LYS H 1 5 LYS QB 3.500 . 4.000 2.405 2.065 2.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
359 1 5 LYS QB 1 6 ILE H 4.490 . 4.990 3.371 2.419 3.842 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
360 1 6 ILE MG 1 10 ILE QG 5.150 . 5.650 3.206 2.500 3.848 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
361 1 6 ILE QG 1 7 LEU H 5.630 . 6.130 4.219 3.803 4.603 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
362 1 7 LEU HA 1 10 ILE QG 4.870 . 5.370 2.935 2.417 3.962 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
363 1 7 LEU CG 1 8 CYS H 6.960 . 7.460 4.439 4.185 4.688 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
364 1 8 CYS H 1 21 LEU CG 7.640 . 8.140 5.723 4.790 6.971 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
365 1 8 CYS HA 1 21 LEU CG 6.990 . 7.490 4.356 3.758 5.645 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
366 1 9 ALA H 1 10 ILE QG 5.220 . 5.720 3.857 3.680 3.984 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
367 1 10 ILE H 1 10 ILE QG 3.600 . 4.100 2.072 1.965 2.539 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
368 1 10 ILE MG 1 14 LYS QB 5.260 . 5.760 3.194 2.990 3.387 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
369 1 10 ILE MG 1 14 LYS QD 4.730 . 5.230 2.347 2.245 2.465 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
370 1 10 ILE QG 1 11 ALA H 5.490 . 5.990 3.883 3.632 4.137 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
371 1 11 ALA H 1 21 LEU CG 7.100 . 7.600 5.956 5.503 6.565 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
372 1 11 ALA HA 1 14 LYS QB 4.660 . 5.160 3.369 3.028 4.154 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
373 1 11 ALA HA 1 16 LYS QG 5.990 . 6.490 4.462 3.651 5.344 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
374 1 11 ALA HA 1 21 LEU CG 7.640 . 8.140 6.067 5.389 6.722 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
375 1 11 ALA MB 1 21 LEU CG 5.840 . 6.340 3.393 3.100 3.740 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
376 1 12 LYS H 1 12 LYS QB 3.450 . 3.950 2.394 2.019 2.799 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
377 1 12 LYS QB 1 13 LYS H 4.190 . 4.690 2.973 2.207 3.810 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
378 1 13 LYS QG 1 14 LYS H 5.770 . 6.270 4.110 3.515 4.689 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
379 1 14 LYS H 1 14 LYS QB 3.570 . 4.070 2.262 2.198 2.409 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
380 1 14 LYS HA 1 14 LYS QD 4.140 . 4.640 2.640 2.468 3.126 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
381 1 14 LYS QB 1 15 GLY H 4.700 . 5.200 3.220 2.979 3.389 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
382 1 14 LYS QB 1 16 LYS H 4.690 . 5.190 3.093 2.682 3.419 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
383 1 14 LYS QD 1 15 GLY H 5.340 . 5.840 4.527 4.426 4.593 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
384 1 16 LYS H 1 16 LYS QG 4.860 . 5.360 3.725 2.479 4.277 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
385 1 16 LYS QG 1 17 CYS H 5.990 . 6.490 4.282 3.356 4.980 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
386 1 17 CYS H 1 21 LEU CG 7.630 . 8.130 6.781 5.673 7.387 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
387 1 17 CYS HA 1 21 LEU CG 6.100 . 6.600 4.068 3.078 4.479 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
388 1 17 CYS HB2 1 27 CYS QB 5.410 . 5.910 3.382 2.304 3.704 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
389 1 17 CYS HB3 1 27 CYS QB 4.400 . 4.900 2.398 2.201 3.674 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
390 1 18 LYS H 1 21 LEU CG 6.100 . 6.600 4.462 4.063 4.780 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
391 1 18 LYS HA 1 19 GLY QA 5.200 . 5.700 4.073 3.987 4.124 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
392 1 18 LYS QB 1 19 GLY H 3.880 . 4.380 2.356 2.151 2.614 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
393 1 19 GLY H 1 20 PRO QD 5.390 . 5.890 4.324 3.880 4.968 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
394 1 19 GLY QA 1 20 PRO QD 3.940 . 4.440 2.077 2.019 3.379 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
395 1 19 GLY QA 1 21 LEU H 4.910 . 5.410 3.802 3.295 4.087 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
396 1 19 GLY QA 1 22 LYS H 4.990 . 5.490 4.133 2.909 4.341 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
397 1 20 PRO HA 1 23 LEU CG 6.440 . 6.940 4.644 3.946 5.367 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
398 1 20 PRO QB 1 21 LEU H 4.250 . 4.750 3.130 2.649 3.794 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
399 1 20 PRO QG 1 21 LEU H 4.570 . 5.070 3.058 2.264 4.083 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
400 1 20 PRO QD 1 21 LEU H 3.920 . 4.420 2.817 2.674 3.015 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
401 1 20 PRO QD 1 21 LEU HB2 6.010 . 6.510 4.405 4.101 4.789 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
402 1 21 LEU CG 1 22 LYS H 6.600 . 7.100 4.426 4.109 4.613 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
403 1 21 LEU CG 1 24 VAL H 7.070 . 7.570 5.744 5.211 6.023 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 1
404 1 21 LEU CG 1 24 VAL HB 6.360 . 6.860 4.590 4.152 4.915 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 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 6
_Distance_constraint_stats_list.Viol_count 56
_Distance_constraint_stats_list.Viol_total 28.296
_Distance_constraint_stats_list.Viol_max 0.038
_Distance_constraint_stats_list.Viol_rms 0.0057
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0020
_Distance_constraint_stats_list.Viol_average_violations_only 0.0105
_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 CYS 0.060 0.013 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 17 CYS 0.529 0.038 41 0 "[ . 1 . 2 . 3 . 4 . ]"
1 25 CYS 0.060 0.013 18 0 "[ . 1 . 2 . 3 . 4 . ]"
1 27 CYS 0.529 0.038 41 0 "[ . 1 . 2 . 3 . 4 . ]"
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 8 CYS SG 1 25 CYS SG 2.100 . 2.600 2.029 2.019 2.042 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
2 1 8 CYS SG 1 25 CYS CB 3.100 3.000 3.600 3.030 2.987 3.072 0.013 18 0 "[ . 1 . 2 . 3 . 4 . ]" 2
3 1 8 CYS CB 1 25 CYS SG 3.100 3.000 3.600 3.041 2.999 3.075 0.001 32 0 "[ . 1 . 2 . 3 . 4 . ]" 2
4 1 17 CYS SG 1 27 CYS SG 2.100 . 2.600 2.027 2.017 2.039 . 0 0 "[ . 1 . 2 . 3 . 4 . ]" 2
5 1 17 CYS SG 1 27 CYS CB 3.100 3.000 3.600 3.004 2.962 3.041 0.038 41 0 "[ . 1 . 2 . 3 . 4 . ]" 2
6 1 17 CYS CB 1 27 CYS SG 3.100 3.000 3.600 3.006 2.969 3.056 0.031 24 0 "[ . 1 . 2 . 3 . 4 . ]" 2
stop_
save_