NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
440660 |
2k9e   |
15983 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2k9e
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 3
_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 4 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 CYS 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 13 CYS SG 1 29 CYS SG 2.020 . 2.120 2.021 2.018 2.028 . 0 0 "[ . 1 . 2]" 1
2 1 4 CYS SG 1 36 CYS SG 2.020 . 2.120 2.020 2.017 2.026 . 0 0 "[ . 1 . 2]" 1
3 1 18 CYS SG 1 33 CYS SG 2.020 . 2.120 2.018 2.016 2.020 . 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 547
_Distance_constraint_stats_list.Viol_count 756
_Distance_constraint_stats_list.Viol_total 1392.198
_Distance_constraint_stats_list.Viol_max 1.679
_Distance_constraint_stats_list.Viol_rms 0.0628
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0921
_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 ARG 0.226 0.067 13 0 "[ . 1 . 2]"
1 3 SER 1.223 0.171 15 0 "[ . 1 . 2]"
1 4 CYS 3.841 0.770 13 2 "[ . -1 + . 2]"
1 5 ILE 1.870 0.181 7 0 "[ . 1 . 2]"
1 6 ASP 2.011 0.184 19 0 "[ . 1 . 2]"
1 7 THR 0.685 0.138 17 0 "[ . 1 . 2]"
1 8 ILE 3.114 0.184 19 0 "[ . 1 . 2]"
1 9 PRO 0.683 0.210 8 0 "[ . 1 . 2]"
1 10 LYS 0.945 0.107 1 0 "[ . 1 . 2]"
1 11 SER 0.366 0.210 8 0 "[ . 1 . 2]"
1 12 ARG 1.022 0.159 20 0 "[ . 1 . 2]"
1 13 CYS 0.790 0.082 20 0 "[ . 1 . 2]"
1 14 THR 0.643 0.045 7 0 "[ . 1 . 2]"
1 15 ALA 0.196 0.031 8 0 "[ . 1 . 2]"
1 16 PHE 0.487 0.041 12 0 "[ . 1 . 2]"
1 17 GLN 1.380 0.140 17 0 "[ . 1 . 2]"
1 18 CYS 1.117 0.093 13 0 "[ . 1 . 2]"
1 19 LYS 0.874 0.155 11 0 "[ . 1 . 2]"
1 20 HIS 0.952 0.155 11 0 "[ . 1 . 2]"
1 21 SER 0.152 0.026 20 0 "[ . 1 . 2]"
1 22 NLE 0.543 0.103 17 0 "[ . 1 . 2]"
1 23 LYS 3.619 0.210 15 0 "[ . 1 . 2]"
1 24 TYR 2.268 0.116 6 0 "[ . 1 . 2]"
1 25 ARG 5.520 0.632 15 2 "[ . - + 2]"
1 26 LEU 1.407 0.632 15 1 "[ . 1 + 2]"
1 27 SER 3.880 0.189 17 0 "[ . 1 . 2]"
1 28 PHE 6.810 0.189 17 0 "[ . 1 . 2]"
1 29 CYS 2.375 0.139 17 0 "[ . 1 . 2]"
1 30 ARG 39.400 1.679 14 17 "[****** ***- *+.*****]"
1 31 LYS 1.958 0.156 16 0 "[ . 1 . 2]"
1 32 THR 3.100 0.150 6 0 "[ . 1 . 2]"
1 33 CYS 0.816 0.101 13 0 "[ . 1 . 2]"
1 34 GLY 0.257 0.075 2 0 "[ . 1 . 2]"
1 35 THR 20.188 1.559 3 14 "[**+*** * - *.*****]"
1 36 CYS 15.307 1.679 14 11 "[ * *** **- *+. * *]"
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 4 CYS H 1 4 CYS QB 3.370 . 3.370 2.463 2.149 2.936 . 0 0 "[ . 1 . 2]" 2
2 1 5 ILE HA 1 5 ILE MD 4.730 . 4.730 3.829 2.345 4.132 . 0 0 "[ . 1 . 2]" 2
3 1 5 ILE HA 1 5 ILE QG 3.970 . 3.970 3.128 2.776 3.289 . 0 0 "[ . 1 . 2]" 2
4 1 5 ILE MD 1 5 ILE MG 3.500 . 3.500 1.991 1.719 2.314 0.081 18 0 "[ . 1 . 2]" 2
5 1 5 ILE H 1 5 ILE MG 4.630 . 4.630 3.758 3.521 4.003 . 0 0 "[ . 1 . 2]" 2
6 1 5 ILE H 1 5 ILE QG 3.600 . 3.600 2.230 2.017 2.528 . 0 0 "[ . 1 . 2]" 2
7 1 7 THR H 1 7 THR MG 3.340 . 3.340 2.639 1.954 3.256 . 0 0 "[ . 1 . 2]" 2
8 1 8 ILE HA 1 8 ILE HB 3.020 . 3.020 2.479 2.222 2.677 . 0 0 "[ . 1 . 2]" 2
9 1 8 ILE HB 1 8 ILE QG 2.640 . 2.640 2.386 2.196 2.548 . 0 0 "[ . 1 . 2]" 2
10 1 8 ILE QG 1 8 ILE MG 2.690 . 2.690 2.202 1.883 2.508 . 0 0 "[ . 1 . 2]" 2
11 1 8 ILE H 1 8 ILE HB 4.200 . 4.200 3.465 2.463 3.957 . 0 0 "[ . 1 . 2]" 2
12 1 8 ILE H 1 8 ILE MD 5.180 . 5.180 3.714 1.728 4.604 0.072 19 0 "[ . 1 . 2]" 2
13 1 8 ILE H 1 8 ILE MG 3.270 . 3.270 2.617 1.867 3.258 . 0 0 "[ . 1 . 2]" 2
14 1 10 LYS HA 1 10 LYS QG 3.840 . 3.840 2.799 2.137 3.413 . 0 0 "[ . 1 . 2]" 2
15 1 10 LYS H 1 10 LYS QB 3.680 . 3.680 2.643 2.119 3.044 . 0 0 "[ . 1 . 2]" 2
16 1 10 LYS H 1 10 LYS QD 3.970 . 3.970 3.062 1.734 3.987 0.066 8 0 "[ . 1 . 2]" 2
17 1 10 LYS H 1 10 LYS QE 5.960 . 5.960 4.021 2.155 5.410 . 0 0 "[ . 1 . 2]" 2
18 1 10 LYS H 1 10 LYS QG 4.050 . 4.050 2.226 1.704 4.017 0.096 1 0 "[ . 1 . 2]" 2
19 1 11 SER H 1 11 SER HA 2.900 . 2.900 2.830 2.750 2.898 . 0 0 "[ . 1 . 2]" 2
20 1 12 ARG HA 1 12 ARG HD3 5.690 . 5.690 3.415 2.200 4.615 . 0 0 "[ . 1 . 2]" 2
21 1 12 ARG HA 1 12 ARG HD2 5.690 . 5.690 3.672 2.507 4.550 . 0 0 "[ . 1 . 2]" 2
22 1 12 ARG HB3 1 12 ARG QH1 6.500 . 6.500 4.132 2.018 4.727 . 0 0 "[ . 1 . 2]" 2
23 1 12 ARG HB2 1 12 ARG QH1 6.500 . 6.500 4.650 3.047 5.498 . 0 0 "[ . 1 . 2]" 2
24 1 12 ARG QG 1 12 ARG QH1 4.500 . 4.500 3.082 1.641 3.793 0.159 20 0 "[ . 1 . 2]" 2
25 1 12 ARG H 1 12 ARG QB 3.730 . 3.730 2.326 2.050 2.556 . 0 0 "[ . 1 . 2]" 2
26 1 12 ARG H 1 12 ARG HD3 5.910 . 5.910 5.021 4.072 5.874 . 0 0 "[ . 1 . 2]" 2
27 1 12 ARG H 1 12 ARG HD2 5.910 . 5.910 5.041 2.609 5.872 . 0 0 "[ . 1 . 2]" 2
28 1 12 ARG H 1 12 ARG QD 5.460 . 5.460 4.393 2.580 5.075 . 0 0 "[ . 1 . 2]" 2
29 1 12 ARG H 1 12 ARG QG 3.740 . 3.740 3.370 2.596 3.846 0.106 8 0 "[ . 1 . 2]" 2
30 1 14 THR H 1 14 THR HB 3.800 . 3.800 3.710 3.618 3.814 0.014 7 0 "[ . 1 . 2]" 2
31 1 14 THR H 1 14 THR MG 3.800 . 3.800 2.184 1.861 2.456 . 0 0 "[ . 1 . 2]" 2
32 1 15 ALA H 1 15 ALA HA 2.920 . 2.920 2.808 2.771 2.843 . 0 0 "[ . 1 . 2]" 2
33 1 15 ALA H 1 15 ALA MB 2.560 . 2.560 2.143 2.032 2.237 . 0 0 "[ . 1 . 2]" 2
34 1 16 PHE H 1 16 PHE HB3 4.300 . 4.300 2.283 2.150 2.504 . 0 0 "[ . 1 . 2]" 2
35 1 16 PHE H 1 16 PHE HB2 4.300 . 4.300 3.415 3.143 3.625 . 0 0 "[ . 1 . 2]" 2
36 1 16 PHE H 1 16 PHE QB 3.920 . 3.920 2.250 2.127 2.460 . 0 0 "[ . 1 . 2]" 2
37 1 17 GLN HA 1 17 GLN QE 5.080 . 5.080 2.883 1.864 3.746 . 0 0 "[ . 1 . 2]" 2
38 1 17 GLN HA 1 17 GLN HG3 3.950 . 3.950 3.119 2.156 3.739 . 0 0 "[ . 1 . 2]" 2
39 1 17 GLN HA 1 17 GLN HG2 3.950 . 3.950 2.904 2.225 3.573 . 0 0 "[ . 1 . 2]" 2
40 1 17 GLN HA 1 17 GLN QG 3.630 . 3.630 2.418 2.136 2.691 . 0 0 "[ . 1 . 2]" 2
41 1 17 GLN H 1 17 GLN HB2 3.390 . 3.390 2.193 2.068 2.453 . 0 0 "[ . 1 . 2]" 2
42 1 17 GLN H 1 17 GLN QB 3.090 . 3.090 2.162 2.047 2.414 . 0 0 "[ . 1 . 2]" 2
43 1 17 GLN H 1 17 GLN HG3 4.470 . 4.470 4.019 3.393 4.522 0.052 3 0 "[ . 1 . 2]" 2
44 1 17 GLN H 1 17 GLN HG2 4.470 . 4.470 3.536 2.229 4.610 0.140 17 0 "[ . 1 . 2]" 2
45 1 17 GLN H 1 17 GLN QG 4.230 . 4.230 3.260 2.201 4.026 . 0 0 "[ . 1 . 2]" 2
46 1 18 CYS H 1 18 CYS HB3 3.940 . 3.940 2.851 2.248 3.497 . 0 0 "[ . 1 . 2]" 2
47 1 18 CYS H 1 18 CYS HB2 3.940 . 3.940 2.416 2.070 3.666 . 0 0 "[ . 1 . 2]" 2
48 1 18 CYS H 1 18 CYS QB 3.740 . 3.740 2.190 2.048 2.519 . 0 0 "[ . 1 . 2]" 2
49 1 19 LYS HA 1 19 LYS QD 4.480 . 4.480 3.645 2.177 4.210 . 0 0 "[ . 1 . 2]" 2
50 1 19 LYS HA 1 19 LYS QE 4.780 . 4.780 3.898 2.171 4.626 . 0 0 "[ . 1 . 2]" 2
51 1 19 LYS H 1 19 LYS HA 3.010 . 3.010 2.949 2.874 2.964 . 0 0 "[ . 1 . 2]" 2
52 1 19 LYS H 1 19 LYS HB3 3.670 . 3.670 3.162 2.669 3.731 0.061 1 0 "[ . 1 . 2]" 2
53 1 19 LYS H 1 19 LYS HB2 3.670 . 3.670 2.827 2.403 3.445 . 0 0 "[ . 1 . 2]" 2
54 1 19 LYS H 1 19 LYS QB 3.480 . 3.480 2.546 2.367 2.873 . 0 0 "[ . 1 . 2]" 2
55 1 19 LYS H 1 19 LYS QD 5.220 . 5.220 4.670 3.780 5.080 . 0 0 "[ . 1 . 2]" 2
56 1 20 HIS HA 1 20 HIS HD1 4.500 . 4.500 3.145 2.991 3.305 . 0 0 "[ . 1 . 2]" 2
57 1 20 HIS HB2 1 20 HIS HD1 3.500 . 3.500 2.857 2.780 2.934 . 0 0 "[ . 1 . 2]" 2
58 1 20 HIS H 1 20 HIS HB3 4.020 . 4.020 3.650 3.581 3.721 . 0 0 "[ . 1 . 2]" 2
59 1 20 HIS H 1 20 HIS HB2 4.020 . 4.020 2.512 2.399 2.644 . 0 0 "[ . 1 . 2]" 2
60 1 20 HIS H 1 20 HIS QB 3.750 . 3.750 2.470 2.365 2.591 . 0 0 "[ . 1 . 2]" 2
61 1 20 HIS H 1 20 HIS HD1 5.050 . 5.050 1.801 1.767 1.869 0.033 3 0 "[ . 1 . 2]" 2
62 1 23 LYS HB3 1 23 LYS QD 3.800 . 3.800 2.806 2.132 3.382 . 0 0 "[ . 1 . 2]" 2
63 1 23 LYS HB2 1 23 LYS QD 3.800 . 3.800 2.399 2.085 3.423 . 0 0 "[ . 1 . 2]" 2
64 1 23 LYS QB 1 23 LYS QD 3.470 . 3.470 2.147 2.052 2.602 . 0 0 "[ . 1 . 2]" 2
65 1 23 LYS H 1 23 LYS HB3 4.160 . 4.160 2.885 2.172 3.578 . 0 0 "[ . 1 . 2]" 2
66 1 23 LYS H 1 23 LYS HB2 4.160 . 4.160 3.405 2.782 3.620 . 0 0 "[ . 1 . 2]" 2
67 1 23 LYS H 1 23 LYS QD 4.050 . 4.050 3.176 1.938 4.260 0.210 15 0 "[ . 1 . 2]" 2
68 1 23 LYS H 1 23 LYS QG 4.790 . 4.790 2.065 1.688 3.834 0.112 8 0 "[ . 1 . 2]" 2
69 1 23 LYS H 1 23 LYS QZ 4.100 . 4.100 3.306 2.398 3.880 . 0 0 "[ . 1 . 2]" 2
70 1 23 LYS H 1 23 LYS HA 2.900 . 2.900 2.813 2.701 2.930 0.030 20 0 "[ . 1 . 2]" 2
71 1 24 TYR HA 1 24 TYR QD 3.390 . 3.390 2.867 2.592 3.023 . 0 0 "[ . 1 . 2]" 2
72 1 24 TYR H 1 24 TYR HB3 3.830 . 3.830 3.551 3.439 3.664 . 0 0 "[ . 1 . 2]" 2
73 1 24 TYR H 1 24 TYR HB2 3.330 . 3.330 2.340 2.153 2.528 . 0 0 "[ . 1 . 2]" 2
74 1 24 TYR H 1 24 TYR QB 3.070 . 3.070 2.309 2.133 2.479 . 0 0 "[ . 1 . 2]" 2
75 1 25 ARG HA 1 25 ARG HG3 4.280 . 4.280 2.987 2.324 4.201 . 0 0 "[ . 1 . 2]" 2
76 1 25 ARG HA 1 25 ARG HG2 4.280 . 4.280 2.841 2.205 3.617 . 0 0 "[ . 1 . 2]" 2
77 1 25 ARG HD3 1 25 ARG QH1 4.500 . 4.500 2.268 1.619 3.367 0.181 18 0 "[ . 1 . 2]" 2
78 1 25 ARG QG 1 25 ARG QH1 4.660 . 4.660 2.978 1.790 3.796 0.010 6 0 "[ . 1 . 2]" 2
79 1 25 ARG H 1 25 ARG QB 3.560 . 3.560 2.481 2.072 2.984 . 0 0 "[ . 1 . 2]" 2
80 1 25 ARG H 1 25 ARG HG3 3.450 . 3.450 2.509 1.789 3.344 0.011 12 0 "[ . 1 . 2]" 2
81 1 25 ARG H 1 25 ARG HG2 3.950 . 3.950 3.351 1.772 4.010 0.060 8 0 "[ . 1 . 2]" 2
82 1 25 ARG H 1 25 ARG QG 3.250 . 3.250 2.310 1.764 2.996 0.036 6 0 "[ . 1 . 2]" 2
83 1 25 ARG H 1 25 ARG QH1 5.140 . 5.140 4.475 3.234 5.689 0.549 10 1 "[ . + . 2]" 2
84 1 26 LEU H 1 26 LEU HG 3.100 . 3.100 2.418 2.055 3.024 . 0 0 "[ . 1 . 2]" 2
85 1 26 LEU H 1 26 LEU MD2 5.190 . 5.190 3.310 2.446 3.959 . 0 0 "[ . 1 . 2]" 2
86 1 27 SER H 1 27 SER HB3 3.840 . 3.840 3.608 3.172 3.983 0.143 20 0 "[ . 1 . 2]" 2
87 1 27 SER H 1 27 SER HB2 3.840 . 3.840 3.044 2.880 3.994 0.154 17 0 "[ . 1 . 2]" 2
88 1 27 SER H 1 27 SER QB 3.650 . 3.650 2.864 2.761 3.160 . 0 0 "[ . 1 . 2]" 2
89 1 28 PHE HA 1 28 PHE QD 2.890 . 2.890 2.299 2.080 2.909 0.019 19 0 "[ . 1 . 2]" 2
90 1 28 PHE H 1 28 PHE HB3 4.190 . 4.190 3.661 3.584 3.710 . 0 0 "[ . 1 . 2]" 2
91 1 28 PHE H 1 28 PHE HB2 4.190 . 4.190 2.599 2.367 2.794 . 0 0 "[ . 1 . 2]" 2
92 1 28 PHE H 1 28 PHE QD 3.460 . 3.460 2.907 2.031 3.234 . 0 0 "[ . 1 . 2]" 2
93 1 29 CYS H 1 29 CYS HB3 3.770 . 3.770 3.536 3.055 3.867 0.097 5 0 "[ . 1 . 2]" 2
94 1 29 CYS H 1 29 CYS HB2 3.770 . 3.770 2.529 2.178 3.024 . 0 0 "[ . 1 . 2]" 2
95 1 29 CYS H 1 29 CYS QB 3.430 . 3.430 2.473 2.147 2.922 . 0 0 "[ . 1 . 2]" 2
96 1 30 ARG HA 1 30 ARG QH1 6.500 . 6.500 4.990 1.970 6.224 . 0 0 "[ . 1 . 2]" 2
97 1 30 ARG HB3 1 30 ARG QH1 5.500 . 5.500 4.117 2.554 5.416 . 0 0 "[ . 1 . 2]" 2
98 1 30 ARG HB2 1 30 ARG QH1 5.500 . 5.500 4.130 1.663 5.407 0.137 7 0 "[ . 1 . 2]" 2
99 1 30 ARG QG 1 30 ARG QH1 4.500 . 4.500 3.188 2.062 3.737 . 0 0 "[ . 1 . 2]" 2
100 1 30 ARG H 1 30 ARG QB 3.710 . 3.710 2.736 2.341 3.011 . 0 0 "[ . 1 . 2]" 2
101 1 30 ARG H 1 30 ARG QG 4.730 . 4.730 1.854 1.615 2.344 0.185 7 0 "[ . 1 . 2]" 2
102 1 30 ARG H 1 30 ARG QD 5.500 . 5.500 3.036 1.723 4.277 0.077 5 0 "[ . 1 . 2]" 2
103 1 31 LYS HA 1 31 LYS QD 4.440 . 4.440 4.027 3.583 4.381 . 0 0 "[ . 1 . 2]" 2
104 1 31 LYS HA 1 31 LYS QE 5.550 . 5.550 5.233 3.623 5.655 0.105 10 0 "[ . 1 . 2]" 2
105 1 31 LYS HA 1 31 LYS QG 3.520 . 3.520 3.179 2.626 3.354 . 0 0 "[ . 1 . 2]" 2
106 1 31 LYS QE 1 31 LYS QG 3.470 . 3.470 2.300 2.048 2.904 . 0 0 "[ . 1 . 2]" 2
107 1 31 LYS H 1 31 LYS QD 4.730 . 4.730 3.567 1.754 4.496 0.046 15 0 "[ . 1 . 2]" 2
108 1 31 LYS H 1 31 LYS QG 2.740 . 2.740 2.397 2.060 2.740 0.000 15 0 "[ . 1 . 2]" 2
109 1 32 THR H 1 32 THR HB 3.460 . 3.460 3.083 2.178 3.450 . 0 0 "[ . 1 . 2]" 2
110 1 32 THR H 1 32 THR MG 3.540 . 3.540 3.407 2.969 3.648 0.108 20 0 "[ . 1 . 2]" 2
111 1 33 CYS H 1 33 CYS HB3 4.360 . 4.360 3.387 3.058 3.614 . 0 0 "[ . 1 . 2]" 2
112 1 33 CYS H 1 33 CYS HB2 3.360 . 3.360 2.219 2.065 2.628 . 0 0 "[ . 1 . 2]" 2
113 1 33 CYS H 1 33 CYS QB 3.070 . 3.070 2.190 2.045 2.565 . 0 0 "[ . 1 . 2]" 2
114 1 35 THR HA 1 35 THR MG 3.420 . 3.420 3.162 3.078 3.197 . 0 0 "[ . 1 . 2]" 2
115 1 35 THR H 1 35 THR HB 3.190 . 3.190 2.771 2.218 3.200 0.010 18 0 "[ . 1 . 2]" 2
116 1 35 THR H 1 35 THR MG 4.440 . 4.440 1.972 1.628 2.886 0.172 2 0 "[ . 1 . 2]" 2
117 1 36 CYS H 1 36 CYS QB . . 3.280 2.509 2.060 2.958 . 0 0 "[ . 1 . 2]" 2
118 1 2 ARG HG3 1 3 SER HA 7.500 . 7.500 6.183 4.058 6.840 . 0 0 "[ . 1 . 2]" 2
119 1 2 ARG HB3 1 3 SER HA 4.500 . 4.500 4.324 3.740 4.567 0.067 13 0 "[ . 1 . 2]" 2
120 1 3 SER QB 1 4 CYS H 4.500 . 4.500 3.456 1.849 4.076 . 0 0 "[ . 1 . 2]" 2
121 1 3 SER HA 1 4 CYS H 3.300 . 3.300 2.819 2.205 3.471 0.171 15 0 "[ . 1 . 2]" 2
122 1 3 SER H 1 4 CYS H 4.840 . 4.840 2.860 1.718 4.626 0.082 15 0 "[ . 1 . 2]" 2
123 1 4 CYS HA 1 5 ILE H 3.350 . 3.350 2.336 2.157 3.039 . 0 0 "[ . 1 . 2]" 2
124 1 4 CYS QB 1 5 ILE HA 5.660 . 5.660 4.287 4.104 4.612 . 0 0 "[ . 1 . 2]" 2
125 1 4 CYS QB 1 5 ILE H 3.940 . 3.940 3.782 3.530 4.000 0.060 11 0 "[ . 1 . 2]" 2
126 1 4 CYS QB 1 5 ILE QG 4.600 . 4.600 4.014 3.571 4.434 . 0 0 "[ . 1 . 2]" 2
127 1 4 CYS H 1 5 ILE H 4.820 . 4.820 3.815 2.005 4.333 . 0 0 "[ . 1 . 2]" 2
128 1 4 CYS H 1 5 ILE QG 4.770 . 4.770 3.106 2.236 3.743 . 0 0 "[ . 1 . 2]" 2
129 1 5 ILE HA 1 6 ASP QB 5.270 . 5.270 4.349 3.878 4.699 . 0 0 "[ . 1 . 2]" 2
130 1 5 ILE HB 1 6 ASP HA 5.500 . 5.500 4.426 3.874 4.677 . 0 0 "[ . 1 . 2]" 2
131 1 5 ILE HB 1 6 ASP QB 5.440 . 5.440 5.295 4.663 5.476 0.036 3 0 "[ . 1 . 2]" 2
132 1 5 ILE HB 1 6 ASP H 3.490 . 3.490 3.277 1.852 3.547 0.057 4 0 "[ . 1 . 2]" 2
133 1 5 ILE QG 1 6 ASP HA 6.500 . 6.500 5.175 4.550 5.781 . 0 0 "[ . 1 . 2]" 2
134 1 5 ILE MG 1 6 ASP H 4.530 . 4.530 3.028 2.218 3.738 . 0 0 "[ . 1 . 2]" 2
135 1 5 ILE H 1 6 ASP HA 5.120 . 5.120 4.644 4.485 4.816 . 0 0 "[ . 1 . 2]" 2
136 1 6 ASP HA 1 7 THR MG 4.990 . 4.990 3.492 3.004 4.016 . 0 0 "[ . 1 . 2]" 2
137 1 6 ASP HA 1 7 THR H 2.890 . 2.890 2.413 2.240 2.541 . 0 0 "[ . 1 . 2]" 2
138 1 6 ASP HB3 1 7 THR H 4.070 . 4.070 3.484 2.269 4.025 . 0 0 "[ . 1 . 2]" 2
139 1 6 ASP HB2 1 7 THR H 4.070 . 4.070 2.647 2.236 3.759 . 0 0 "[ . 1 . 2]" 2
140 1 6 ASP QB 1 7 THR H 3.720 . 3.720 2.432 2.208 2.765 . 0 0 "[ . 1 . 2]" 2
141 1 6 ASP H 1 7 THR H 4.760 . 4.760 4.507 4.373 4.601 . 0 0 "[ . 1 . 2]" 2
142 1 7 THR HB 1 8 ILE H 4.720 . 4.720 4.382 3.945 4.609 . 0 0 "[ . 1 . 2]" 2
143 1 7 THR MG 1 8 ILE H 4.960 . 4.960 3.773 2.614 4.328 . 0 0 "[ . 1 . 2]" 2
144 1 7 THR H 1 8 ILE HA 4.830 . 4.830 4.502 4.244 4.854 0.024 17 0 "[ . 1 . 2]" 2
145 1 7 THR H 1 8 ILE HB 5.500 . 5.500 4.706 3.252 5.417 . 0 0 "[ . 1 . 2]" 2
146 1 7 THR H 1 8 ILE MD 6.060 . 6.060 4.544 2.385 5.795 . 0 0 "[ . 1 . 2]" 2
147 1 7 THR H 1 8 ILE MG 4.090 . 4.090 3.385 2.289 3.964 . 0 0 "[ . 1 . 2]" 2
148 1 7 THR H 1 8 ILE H 2.940 . 2.940 1.944 1.760 2.769 0.040 7 0 "[ . 1 . 2]" 2
149 1 7 THR H 1 8 ILE QG 5.830 . 5.830 3.946 2.699 5.855 0.025 17 0 "[ . 1 . 2]" 2
150 1 8 ILE HA 1 9 PRO HA 4.700 . 4.700 4.424 4.372 4.502 . 0 0 "[ . 1 . 2]" 2
151 1 8 ILE HA 1 9 PRO HD2 2.500 . 2.500 2.319 2.115 2.541 0.041 19 0 "[ . 1 . 2]" 2
152 1 8 ILE HA 1 9 PRO QB 5.280 . 5.280 4.673 4.572 4.799 . 0 0 "[ . 1 . 2]" 2
153 1 8 ILE HA 1 9 PRO QD 3.430 . 3.430 2.030 1.973 2.149 . 0 0 "[ . 1 . 2]" 2
154 1 8 ILE HA 1 9 PRO HG3 4.810 . 4.810 4.430 4.362 4.572 . 0 0 "[ . 1 . 2]" 2
155 1 8 ILE HA 1 9 PRO HG2 4.810 . 4.810 4.461 4.322 4.616 . 0 0 "[ . 1 . 2]" 2
156 1 8 ILE HA 1 9 PRO QG 4.660 . 4.660 3.958 3.901 4.069 . 0 0 "[ . 1 . 2]" 2
157 1 8 ILE HB 1 9 PRO HG2 6.500 . 6.500 4.891 3.653 6.604 0.104 3 0 "[ . 1 . 2]" 2
158 1 8 ILE MD 1 9 PRO HD2 6.200 . 6.200 3.834 3.357 4.270 . 0 0 "[ . 1 . 2]" 2
159 1 8 ILE MD 1 9 PRO QD 4.850 . 4.850 3.702 3.295 4.092 . 0 0 "[ . 1 . 2]" 2
160 1 8 ILE QG 1 9 PRO QD 5.340 . 5.340 3.105 2.020 4.231 . 0 0 "[ . 1 . 2]" 2
161 1 9 PRO HA 1 10 LYS H 3.500 . 3.500 2.240 2.161 2.481 . 0 0 "[ . 1 . 2]" 2
162 1 9 PRO QB 1 10 LYS H 5.000 . 5.000 3.421 2.859 3.944 . 0 0 "[ . 1 . 2]" 2
163 1 9 PRO QD 1 10 LYS QB 6.530 . 6.530 6.458 6.066 6.637 0.107 1 0 "[ . 1 . 2]" 2
164 1 10 LYS QB 1 11 SER H 5.150 . 5.150 3.190 2.147 3.870 . 0 0 "[ . 1 . 2]" 2
165 1 10 LYS H 1 11 SER H 4.150 . 4.150 2.915 2.540 3.636 . 0 0 "[ . 1 . 2]" 2
166 1 11 SER QB 1 12 ARG H 5.000 . 5.000 3.480 2.791 3.991 . 0 0 "[ . 1 . 2]" 2
167 1 11 SER H 1 12 ARG H 3.120 . 3.120 2.778 2.437 3.082 . 0 0 "[ . 1 . 2]" 2
168 1 12 ARG HB3 1 13 CYS H 5.220 . 5.220 3.788 3.117 4.167 . 0 0 "[ . 1 . 2]" 2
169 1 12 ARG HB2 1 13 CYS H 5.220 . 5.220 3.452 2.947 3.847 . 0 0 "[ . 1 . 2]" 2
170 1 12 ARG QB 1 13 CYS H 5.020 . 5.020 3.181 2.864 3.455 . 0 0 "[ . 1 . 2]" 2
171 1 12 ARG QG 1 13 CYS H 5.000 . 5.000 4.540 4.131 4.828 . 0 0 "[ . 1 . 2]" 2
172 1 12 ARG H 1 13 CYS HA 4.970 . 4.970 4.730 4.517 5.052 0.082 20 0 "[ . 1 . 2]" 2
173 1 12 ARG H 1 13 CYS QB 5.980 . 5.980 3.842 3.554 4.182 . 0 0 "[ . 1 . 2]" 2
174 1 12 ARG H 1 13 CYS H 3.470 . 3.470 2.093 1.764 2.620 0.036 17 0 "[ . 1 . 2]" 2
175 1 13 CYS HA 1 14 THR H 2.810 . 2.810 2.231 2.160 2.366 . 0 0 "[ . 1 . 2]" 2
176 1 13 CYS QB 1 14 THR H 5.020 . 5.020 3.885 3.636 4.034 . 0 0 "[ . 1 . 2]" 2
177 1 13 CYS H 1 14 THR MG 4.300 . 4.300 3.901 3.606 4.169 . 0 0 "[ . 1 . 2]" 2
178 1 13 CYS H 1 14 THR H 4.230 . 4.230 4.129 3.874 4.275 0.045 7 0 "[ . 1 . 2]" 2
179 1 14 THR HA 1 15 ALA MB 5.500 . 5.500 4.110 4.048 4.177 . 0 0 "[ . 1 . 2]" 2
180 1 14 THR HA 1 15 ALA H 3.460 . 3.460 2.358 2.247 2.454 . 0 0 "[ . 1 . 2]" 2
181 1 14 THR HB 1 15 ALA H 3.180 . 3.180 2.706 2.456 2.982 . 0 0 "[ . 1 . 2]" 2
182 1 14 THR MG 1 15 ALA HA 7.500 . 7.500 5.713 5.674 5.778 . 0 0 "[ . 1 . 2]" 2
183 1 14 THR H 1 15 ALA H 5.320 . 5.320 4.541 4.478 4.606 . 0 0 "[ . 1 . 2]" 2
184 1 15 ALA HA 1 16 PHE H 3.700 . 3.700 3.279 3.136 3.381 . 0 0 "[ . 1 . 2]" 2
185 1 15 ALA MB 1 16 PHE QB 5.470 . 5.470 3.979 3.897 4.076 . 0 0 "[ . 1 . 2]" 2
186 1 15 ALA MB 1 16 PHE H 4.040 . 4.040 3.257 3.069 3.471 . 0 0 "[ . 1 . 2]" 2
187 1 15 ALA H 1 16 PHE HA 5.500 . 5.500 5.260 5.192 5.322 . 0 0 "[ . 1 . 2]" 2
188 1 15 ALA H 1 16 PHE QB 4.320 . 4.320 4.271 4.150 4.351 0.031 8 0 "[ . 1 . 2]" 2
189 1 15 ALA H 1 16 PHE H 3.120 . 3.120 2.741 2.653 2.869 . 0 0 "[ . 1 . 2]" 2
190 1 16 PHE HB3 1 17 GLN H 4.430 . 4.430 3.088 2.737 3.448 . 0 0 "[ . 1 . 2]" 2
191 1 16 PHE HB2 1 17 GLN H 4.430 . 4.430 4.178 4.000 4.373 . 0 0 "[ . 1 . 2]" 2
192 1 16 PHE QB 1 17 GLN H 4.150 . 4.150 3.009 2.692 3.326 . 0 0 "[ . 1 . 2]" 2
193 1 16 PHE QD 1 17 GLN QB 6.380 . 6.380 3.779 2.605 4.498 . 0 0 "[ . 1 . 2]" 2
194 1 16 PHE QD 1 17 GLN QG 4.970 . 4.970 3.428 2.173 4.930 . 0 0 "[ . 1 . 2]" 2
195 1 16 PHE QD 1 17 GLN QE 5.390 . 5.390 4.101 2.749 5.367 . 0 0 "[ . 1 . 2]" 2
196 1 16 PHE QE 1 17 GLN QB 5.410 . 5.410 4.351 3.252 5.116 . 0 0 "[ . 1 . 2]" 2
197 1 16 PHE QE 1 17 GLN QG 4.270 . 4.270 3.260 2.408 4.274 0.004 3 0 "[ . 1 . 2]" 2
198 1 16 PHE QE 1 17 GLN QE 6.060 . 6.060 2.869 1.793 4.664 0.007 3 0 "[ . 1 . 2]" 2
199 1 16 PHE H 1 17 GLN H 2.770 . 2.770 2.121 1.822 2.354 . 0 0 "[ . 1 . 2]" 2
200 1 16 PHE HZ 1 17 GLN HA 4.960 . 4.960 4.573 4.155 4.968 0.008 14 0 "[ . 1 . 2]" 2
201 1 16 PHE HZ 1 17 GLN QG 5.360 . 5.360 4.420 3.367 5.359 . 0 0 "[ . 1 . 2]" 2
202 1 17 GLN QB 1 18 CYS H 4.050 . 4.050 2.685 2.383 2.838 . 0 0 "[ . 1 . 2]" 2
203 1 17 GLN HG3 1 18 CYS H 5.210 . 5.210 4.880 4.462 5.227 0.017 11 0 "[ . 1 . 2]" 2
204 1 17 GLN HG2 1 18 CYS H 5.210 . 5.210 4.823 4.240 5.269 0.059 13 0 "[ . 1 . 2]" 2
205 1 17 GLN QG 1 18 CYS H 5.050 . 5.050 4.291 3.963 4.521 . 0 0 "[ . 1 . 2]" 2
206 1 18 CYS QB 1 19 LYS QG 5.880 . 5.880 4.639 3.073 5.852 . 0 0 "[ . 1 . 2]" 2
207 1 18 CYS H 1 19 LYS H 2.990 . 2.990 2.734 2.601 3.023 0.033 13 0 "[ . 1 . 2]" 2
208 1 19 LYS HB3 1 20 HIS H 4.020 . 4.020 3.037 2.629 3.649 . 0 0 "[ . 1 . 2]" 2
209 1 19 LYS HB2 1 20 HIS H 4.020 . 4.020 3.447 2.618 4.047 0.027 3 0 "[ . 1 . 2]" 2
210 1 19 LYS QB 1 20 HIS H 3.810 . 3.810 2.709 2.527 3.142 . 0 0 "[ . 1 . 2]" 2
211 1 19 LYS QD 1 20 HIS HD1 4.910 . 4.910 3.838 2.822 4.620 . 0 0 "[ . 1 . 2]" 2
212 1 19 LYS QG 1 20 HIS QB 5.830 . 5.830 5.479 4.573 5.985 0.155 11 0 "[ . 1 . 2]" 2
213 1 19 LYS QG 1 20 HIS HD1 4.960 . 4.960 3.676 2.542 4.171 . 0 0 "[ . 1 . 2]" 2
214 1 19 LYS H 1 20 HIS HA 4.660 . 4.660 4.602 4.458 4.709 0.049 7 0 "[ . 1 . 2]" 2
215 1 19 LYS H 1 20 HIS H 3.320 . 3.320 1.868 1.705 2.013 0.095 13 0 "[ . 1 . 2]" 2
216 1 20 HIS HB3 1 21 SER H 4.250 . 4.250 3.854 3.282 4.211 . 0 0 "[ . 1 . 2]" 2
217 1 20 HIS HB2 1 21 SER H 4.250 . 4.250 2.800 2.166 3.310 . 0 0 "[ . 1 . 2]" 2
218 1 20 HIS QB 1 21 SER H 4.060 . 4.060 2.734 2.138 3.193 . 0 0 "[ . 1 . 2]" 2
219 1 20 HIS H 1 21 SER H 3.210 . 3.210 2.269 2.007 2.563 . 0 0 "[ . 1 . 2]" 2
220 1 23 LYS QB 1 24 TYR QD 5.770 . 5.770 3.531 2.855 4.884 . 0 0 "[ . 1 . 2]" 2
221 1 23 LYS QB 1 24 TYR QE 6.380 . 6.380 4.324 3.216 5.880 . 0 0 "[ . 1 . 2]" 2
222 1 23 LYS QB 1 24 TYR H 4.190 2.300 4.190 3.767 3.510 4.096 . 0 0 "[ . 1 . 2]" 2
223 1 23 LYS QD 1 24 TYR QD 4.100 . 4.100 2.981 2.156 4.106 0.006 14 0 "[ . 1 . 2]" 2
224 1 23 LYS QD 1 24 TYR QE 5.500 . 5.500 2.913 2.179 4.706 . 0 0 "[ . 1 . 2]" 2
225 1 23 LYS QD 1 24 TYR H 4.390 . 4.390 4.330 3.915 4.502 0.112 11 0 "[ . 1 . 2]" 2
226 1 23 LYS H 1 24 TYR HB2 5.230 . 5.230 4.612 4.289 4.997 . 0 0 "[ . 1 . 2]" 2
227 1 23 LYS H 1 24 TYR QB 4.870 . 4.870 4.486 4.181 4.836 . 0 0 "[ . 1 . 2]" 2
228 1 23 LYS H 1 24 TYR H 3.170 . 3.170 2.862 2.527 3.210 0.040 4 0 "[ . 1 . 2]" 2
229 1 24 TYR HB3 1 25 ARG H 4.020 . 4.020 3.286 2.907 3.713 . 0 0 "[ . 1 . 2]" 2
230 1 24 TYR HB2 1 25 ARG H 4.020 . 4.020 2.770 2.439 3.174 . 0 0 "[ . 1 . 2]" 2
231 1 24 TYR QB 1 25 ARG H 3.760 . 3.760 2.627 2.333 2.995 . 0 0 "[ . 1 . 2]" 2
232 1 24 TYR H 1 25 ARG H 3.080 . 3.080 2.210 1.925 2.673 . 0 0 "[ . 1 . 2]" 2
233 1 25 ARG HA 1 26 LEU MD2 6.260 . 6.260 4.660 3.660 5.927 . 0 0 "[ . 1 . 2]" 2
234 1 25 ARG QH1 1 26 LEU MD2 5.700 . 5.700 4.710 1.744 6.332 0.632 15 1 "[ . 1 + 2]" 2
235 1 25 ARG H 1 26 LEU HA 5.500 . 5.500 5.253 4.964 5.460 . 0 0 "[ . 1 . 2]" 2
236 1 25 ARG H 1 26 LEU H 3.420 . 3.420 2.671 2.300 3.045 . 0 0 "[ . 1 . 2]" 2
237 1 25 ARG H 1 26 LEU MD2 6.100 . 6.100 3.888 3.156 4.752 . 0 0 "[ . 1 . 2]" 2
238 1 26 LEU MD2 1 27 SER H 6.270 . 6.270 4.832 4.469 5.378 . 0 0 "[ . 1 . 2]" 2
239 1 26 LEU H 1 27 SER H 3.030 . 3.030 2.226 1.944 2.801 0.056 6 0 "[ . 1 . 2]" 2
240 1 27 SER HA 1 28 PHE QD 5.110 . 5.110 4.638 3.984 5.247 0.137 3 0 "[ . 1 . 2]" 2
241 1 27 SER HB3 1 28 PHE QD 4.280 . 4.280 3.127 2.196 4.233 . 0 0 "[ . 1 . 2]" 2
242 1 27 SER HB3 1 28 PHE QE 4.430 . 4.430 3.327 2.706 4.508 0.078 17 0 "[ . 1 . 2]" 2
243 1 27 SER HB3 1 28 PHE H 3.250 . 3.250 2.655 2.171 3.403 0.153 6 0 "[ . 1 . 2]" 2
244 1 27 SER HB2 1 28 PHE QD 4.280 . 4.280 3.959 2.656 4.374 0.094 16 0 "[ . 1 . 2]" 2
245 1 27 SER HB2 1 28 PHE QE 4.430 . 4.430 4.228 3.444 4.506 0.076 13 0 "[ . 1 . 2]" 2
246 1 27 SER HB2 1 28 PHE H 3.250 . 3.250 2.767 1.840 3.439 0.189 17 0 "[ . 1 . 2]" 2
247 1 27 SER QB 1 28 PHE QD 4.100 . 4.100 2.905 2.096 3.577 . 0 0 "[ . 1 . 2]" 2
248 1 27 SER QB 1 28 PHE QE 4.200 . 4.200 3.144 2.675 3.809 . 0 0 "[ . 1 . 2]" 2
249 1 27 SER H 1 28 PHE HA 4.630 . 4.630 4.537 4.460 4.645 0.015 15 0 "[ . 1 . 2]" 2
250 1 27 SER H 1 28 PHE H 2.850 . 2.850 2.368 2.197 2.564 . 0 0 "[ . 1 . 2]" 2
251 1 28 PHE QB 1 29 CYS HA 6.120 . 6.120 4.038 3.868 4.406 . 0 0 "[ . 1 . 2]" 2
252 1 28 PHE QB 1 29 CYS H 4.540 . 4.540 2.492 1.934 3.137 . 0 0 "[ . 1 . 2]" 2
253 1 28 PHE QD 1 29 CYS H 4.660 . 4.660 4.074 3.698 4.453 . 0 0 "[ . 1 . 2]" 2
254 1 28 PHE H 1 29 CYS HA 4.970 . 4.970 4.982 4.859 5.089 0.119 17 0 "[ . 1 . 2]" 2
255 1 28 PHE H 1 29 CYS H 3.310 . 3.310 2.349 2.096 2.604 . 0 0 "[ . 1 . 2]" 2
256 1 29 CYS HA 1 30 ARG H 3.140 . 3.140 2.589 2.419 2.861 . 0 0 "[ . 1 . 2]" 2
257 1 29 CYS HA 1 30 ARG QG 6.500 . 6.500 4.041 3.785 4.406 . 0 0 "[ . 1 . 2]" 2
258 1 29 CYS HA 1 30 ARG QB 5.560 . 5.560 4.943 4.439 5.260 . 0 0 "[ . 1 . 2]" 2
259 1 29 CYS HB3 1 30 ARG QG 6.500 . 6.500 5.588 4.994 5.873 . 0 0 "[ . 1 . 2]" 2
260 1 29 CYS HB3 1 30 ARG H 5.190 . 5.190 4.355 4.211 4.508 . 0 0 "[ . 1 . 2]" 2
261 1 29 CYS HB2 1 30 ARG H 5.190 . 5.190 4.412 4.168 4.649 . 0 0 "[ . 1 . 2]" 2
262 1 29 CYS HB2 1 30 ARG HB2 7.500 . 7.500 7.055 6.443 7.585 0.085 10 0 "[ . 1 . 2]" 2
263 1 29 CYS QB 1 30 ARG H 4.820 . 4.820 3.900 3.811 3.984 . 0 0 "[ . 1 . 2]" 2
264 1 29 CYS H 1 30 ARG QG 5.500 . 5.500 3.836 3.131 4.793 . 0 0 "[ . 1 . 2]" 2
265 1 29 CYS H 1 30 ARG QB 5.380 . 5.380 5.136 4.275 5.519 0.139 17 0 "[ . 1 . 2]" 2
266 1 29 CYS H 1 30 ARG H 4.620 . 4.620 3.292 2.386 3.628 . 0 0 "[ . 1 . 2]" 2
267 1 30 ARG H 1 31 LYS H 3.210 . 3.210 2.964 2.562 3.246 0.036 6 0 "[ . 1 . 2]" 2
268 1 31 LYS HA 1 32 THR H 4.000 . 4.000 3.532 3.502 3.562 . 0 0 "[ . 1 . 2]" 2
269 1 31 LYS QB 1 32 THR H 3.130 . 3.130 3.082 2.487 3.280 0.150 6 0 "[ . 1 . 2]" 2
270 1 31 LYS H 1 32 THR HB 5.510 . 5.510 4.460 3.541 4.817 . 0 0 "[ . 1 . 2]" 2
271 1 31 LYS H 1 32 THR H 3.060 . 3.060 1.966 1.747 2.153 0.053 4 0 "[ . 1 . 2]" 2
272 1 32 THR HA 1 33 CYS QB 6.330 . 6.330 5.336 5.219 5.560 . 0 0 "[ . 1 . 2]" 2
273 1 32 THR HB 1 33 CYS QB 4.740 . 4.740 4.082 3.660 4.655 . 0 0 "[ . 1 . 2]" 2
274 1 32 THR HB 1 33 CYS H 3.340 . 3.340 2.533 2.054 3.165 . 0 0 "[ . 1 . 2]" 2
275 1 32 THR H 1 33 CYS H 3.280 . 3.280 2.836 2.579 3.182 . 0 0 "[ . 1 . 2]" 2
276 1 33 CYS HA 1 34 GLY H 3.580 . 3.580 3.162 3.037 3.326 . 0 0 "[ . 1 . 2]" 2
277 1 33 CYS QB 1 34 GLY H 4.040 . 4.040 3.533 3.295 3.702 . 0 0 "[ . 1 . 2]" 2
278 1 33 CYS H 1 34 GLY H 3.140 . 3.140 2.725 2.503 2.969 . 0 0 "[ . 1 . 2]" 2
279 1 34 GLY H 1 35 THR MG 4.650 . 4.650 3.943 3.395 4.679 0.029 7 0 "[ . 1 . 2]" 2
280 1 34 GLY H 1 35 THR H 3.160 . 3.160 2.719 2.406 2.964 . 0 0 "[ . 1 . 2]" 2
281 1 35 THR HA 1 36 CYS QB 5.620 . 5.620 4.875 4.364 5.331 . 0 0 "[ . 1 . 2]" 2
282 1 35 THR HA 1 36 CYS H 4.360 . 4.360 3.479 3.229 3.580 . 0 0 "[ . 1 . 2]" 2
283 1 35 THR HB 1 36 CYS H 4.540 . 4.540 4.033 3.500 4.506 . 0 0 "[ . 1 . 2]" 2
284 1 35 THR MG 1 36 CYS HA 7.500 . 7.500 3.789 3.086 4.500 . 0 0 "[ . 1 . 2]" 2
285 1 35 THR MG 1 36 CYS H 4.260 . 4.260 2.110 1.737 2.926 0.063 14 0 "[ . 1 . 2]" 2
286 1 35 THR H 1 36 CYS H 2.930 . 2.930 2.409 2.165 2.680 . 0 0 "[ . 1 . 2]" 2
287 1 35 THR H 1 36 CYS QB 5.500 . 5.500 4.310 3.997 4.640 . 0 0 "[ . 1 . 2]" 2
288 1 3 SER HA 1 5 ILE QG 4.460 . 4.460 3.661 2.810 4.473 0.013 1 0 "[ . 1 . 2]" 2
289 1 3 SER H 1 5 ILE QG 4.640 . 4.640 4.370 3.335 4.787 0.147 7 0 "[ . 1 . 2]" 2
290 1 5 ILE HA 1 7 THR MG 7.500 . 7.500 6.075 4.846 7.329 . 0 0 "[ . 1 . 2]" 2
291 1 5 ILE MD 1 7 THR MG 7.000 . 7.000 5.312 3.770 6.992 . 0 0 "[ . 1 . 2]" 2
292 1 6 ASP HA 1 8 ILE HB 7.500 . 7.500 6.716 4.908 7.515 0.015 7 0 "[ . 1 . 2]" 2
293 1 6 ASP HA 1 8 ILE MD 6.500 . 6.500 5.678 3.569 6.635 0.135 17 0 "[ . 1 . 2]" 2
294 1 6 ASP HA 1 8 ILE H 3.960 . 3.960 3.947 3.712 4.041 0.081 13 0 "[ . 1 . 2]" 2
295 1 6 ASP HB3 1 8 ILE H 4.960 . 4.960 3.948 2.305 4.789 . 0 0 "[ . 1 . 2]" 2
296 1 6 ASP HB2 1 8 ILE H 3.960 . 3.960 2.801 2.185 4.031 0.071 5 0 "[ . 1 . 2]" 2
297 1 6 ASP QB 1 8 ILE HB 5.770 . 5.770 5.115 2.942 5.954 0.184 19 0 "[ . 1 . 2]" 2
298 1 6 ASP QB 1 8 ILE H 3.640 . 3.640 2.567 2.174 3.057 . 0 0 "[ . 1 . 2]" 2
299 1 8 ILE MD 1 12 ARG HB3 3.870 . 3.870 2.793 2.131 3.706 . 0 0 "[ . 1 . 2]" 2
300 1 8 ILE MD 1 12 ARG HB2 3.870 . 3.870 2.716 2.091 3.633 . 0 0 "[ . 1 . 2]" 2
301 1 8 ILE MD 1 12 ARG QB 3.610 2.100 3.610 2.375 2.014 3.268 0.086 6 0 "[ . 1 . 2]" 2
302 1 8 ILE MD 1 12 ARG QG 4.490 . 4.490 3.712 2.203 4.512 0.022 19 0 "[ . 1 . 2]" 2
303 1 8 ILE MD 1 12 ARG H 4.310 . 4.310 3.888 3.320 4.383 0.073 19 0 "[ . 1 . 2]" 2
304 1 8 ILE MG 1 12 ARG QB 6.070 . 6.070 3.980 2.605 5.063 . 0 0 "[ . 1 . 2]" 2
305 1 8 ILE MG 1 12 ARG H 6.500 . 6.500 5.551 3.532 6.544 0.044 7 0 "[ . 1 . 2]" 2
306 1 8 ILE H 1 10 LYS H 7.470 . 7.470 5.703 4.476 6.731 . 0 0 "[ . 1 . 2]" 2
307 1 9 PRO HA 1 12 ARG H 5.300 . 5.300 5.076 4.689 5.310 0.010 4 0 "[ . 1 . 2]" 2
308 1 9 PRO HA 1 11 SER H 3.880 . 3.880 3.643 3.260 4.090 0.210 8 0 "[ . 1 . 2]" 2
309 1 9 PRO QB 1 11 SER H 4.690 . 4.690 2.683 2.154 3.579 . 0 0 "[ . 1 . 2]" 2
310 1 9 PRO QB 1 12 ARG H 5.480 . 5.480 3.828 3.036 4.464 . 0 0 "[ . 1 . 2]" 2
311 1 9 PRO QD 1 12 ARG H 6.500 . 6.500 5.054 4.289 5.798 . 0 0 "[ . 1 . 2]" 2
312 1 9 PRO QD 1 12 ARG QD 6.310 . 6.310 4.481 2.491 6.230 . 0 0 "[ . 1 . 2]" 2
313 1 9 PRO QG 1 12 ARG QD 6.450 . 6.450 4.383 2.259 6.191 . 0 0 "[ . 1 . 2]" 2
314 1 9 PRO QG 1 12 ARG H 6.380 . 6.380 4.513 3.542 5.877 . 0 0 "[ . 1 . 2]" 2
315 1 10 LYS HA 1 13 CYS H 3.500 . 3.500 3.298 2.806 3.523 0.023 18 0 "[ . 1 . 2]" 2
316 1 10 LYS H 1 12 ARG H 4.620 . 4.620 4.440 4.046 4.641 0.021 7 0 "[ . 1 . 2]" 2
317 1 11 SER HA 1 13 CYS H 4.200 . 4.200 3.939 3.493 4.233 0.033 6 0 "[ . 1 . 2]" 2
318 1 11 SER H 1 13 CYS H 4.590 . 4.590 4.268 3.748 4.645 0.055 11 0 "[ . 1 . 2]" 2
319 1 13 CYS HA 1 15 ALA H 6.500 2.800 6.500 6.269 6.109 6.342 . 0 0 "[ . 1 . 2]" 2
320 1 13 CYS HA 1 17 GLN H 4.880 . 4.880 4.870 4.768 4.928 0.048 18 0 "[ . 1 . 2]" 2
321 1 13 CYS H 1 17 GLN QB 5.690 . 5.690 5.224 4.939 5.438 . 0 0 "[ . 1 . 2]" 2
322 1 14 THR HA 1 16 PHE H 3.750 . 3.750 3.736 3.574 3.791 0.041 12 0 "[ . 1 . 2]" 2
323 1 14 THR HA 1 17 GLN H 4.720 . 4.720 4.443 4.236 4.603 . 0 0 "[ . 1 . 2]" 2
324 1 14 THR HB 1 17 GLN H 4.200 2.200 4.200 4.084 3.784 4.222 0.022 4 0 "[ . 1 . 2]" 2
325 1 14 THR MG 1 16 PHE QE 5.840 . 5.840 4.427 3.301 5.226 . 0 0 "[ . 1 . 2]" 2
326 1 14 THR MG 1 16 PHE H 3.980 . 3.980 3.930 3.845 3.992 0.012 8 0 "[ . 1 . 2]" 2
327 1 14 THR MG 1 17 GLN H 3.810 . 3.810 3.677 3.370 3.844 0.034 7 0 "[ . 1 . 2]" 2
328 1 14 THR MG 1 17 GLN QE 6.370 . 6.370 4.850 3.102 6.068 . 0 0 "[ . 1 . 2]" 2
329 1 14 THR H 1 17 GLN QG 3.800 . 3.800 3.390 2.359 3.834 0.034 3 0 "[ . 1 . 2]" 2
330 1 14 THR H 1 17 GLN HB3 3.730 . 3.730 3.242 2.360 3.761 0.031 14 0 "[ . 1 . 2]" 2
331 1 14 THR H 1 17 GLN HB2 3.730 . 3.730 2.159 1.868 2.543 . 0 0 "[ . 1 . 2]" 2
332 1 14 THR H 1 17 GLN QB 3.560 . 3.560 2.094 1.858 2.253 . 0 0 "[ . 1 . 2]" 2
333 1 14 THR H 1 17 GLN H 3.990 . 3.990 3.113 2.925 3.345 . 0 0 "[ . 1 . 2]" 2
334 1 14 THR H 1 18 CYS H 4.370 . 4.370 3.792 3.102 4.311 . 0 0 "[ . 1 . 2]" 2
335 1 15 ALA HA 1 18 CYS H 4.720 . 4.720 3.832 3.504 4.271 . 0 0 "[ . 1 . 2]" 2
336 1 15 ALA H 1 17 GLN H 4.520 . 4.520 4.417 4.307 4.546 0.026 11 0 "[ . 1 . 2]" 2
337 1 16 PHE HA 1 19 LYS H 4.910 . 4.910 3.989 3.567 4.574 . 0 0 "[ . 1 . 2]" 2
338 1 16 PHE HA 1 19 LYS HB2 5.000 . 5.000 3.451 2.487 4.587 . 0 0 "[ . 1 . 2]" 2
339 1 16 PHE HA 1 20 HIS HD1 3.240 . 3.240 3.008 2.321 3.255 0.015 13 0 "[ . 1 . 2]" 2
340 1 16 PHE HB3 1 20 HIS HE1 6.290 . 6.290 5.242 4.688 5.623 . 0 0 "[ . 1 . 2]" 2
341 1 16 PHE HB2 1 20 HIS HE1 4.790 . 4.790 3.802 3.142 4.319 . 0 0 "[ . 1 . 2]" 2
342 1 16 PHE QB 1 20 HIS HE1 5.060 . 5.060 3.714 3.097 4.186 . 0 0 "[ . 1 . 2]" 2
343 1 16 PHE QD 1 20 HIS HE1 5.500 . 5.500 3.152 2.746 3.705 . 0 0 "[ . 1 . 2]" 2
344 1 16 PHE QD 1 20 HIS QB 5.420 . 5.420 3.331 2.409 4.208 . 0 0 "[ . 1 . 2]" 2
345 1 16 PHE QD 1 20 HIS HD2 3.950 . 3.950 3.567 2.968 3.955 0.005 19 0 "[ . 1 . 2]" 2
346 1 16 PHE QE 1 20 HIS HE1 7.500 . 7.500 5.076 4.595 5.868 . 0 0 "[ . 1 . 2]" 2
347 1 16 PHE QE 1 20 HIS H 6.140 . 6.140 4.791 4.340 5.444 . 0 0 "[ . 1 . 2]" 2
348 1 16 PHE HZ 1 20 HIS HB2 4.620 . 4.620 4.192 3.102 4.596 . 0 0 "[ . 1 . 2]" 2
349 1 17 GLN HA 1 20 HIS H 4.760 . 4.760 3.288 2.964 3.895 . 0 0 "[ . 1 . 2]" 2
350 1 17 GLN HA 1 21 SER QB 5.900 . 5.900 3.330 2.438 4.017 . 0 0 "[ . 1 . 2]" 2
351 1 17 GLN QE 1 20 HIS HB3 6.050 . 6.050 5.367 4.514 6.056 0.006 8 0 "[ . 1 . 2]" 2
352 1 17 GLN QE 1 20 HIS HB2 6.050 . 6.050 4.238 3.342 5.073 . 0 0 "[ . 1 . 2]" 2
353 1 17 GLN QE 1 21 SER HB3 6.860 . 6.860 3.783 2.189 6.129 . 0 0 "[ . 1 . 2]" 2
354 1 17 GLN QE 1 21 SER HB2 6.860 . 6.860 3.545 1.932 5.013 . 0 0 "[ . 1 . 2]" 2
355 1 17 GLN QE 1 20 HIS QB 4.970 . 4.970 4.082 3.261 4.818 . 0 0 "[ . 1 . 2]" 2
356 1 17 GLN QE 1 21 SER QB 5.800 . 5.800 3.103 1.910 4.799 . 0 0 "[ . 1 . 2]" 2
357 1 17 GLN QG 1 19 LYS H 5.640 . 5.640 5.131 4.769 5.419 . 0 0 "[ . 1 . 2]" 2
358 1 17 GLN H 1 21 SER H 6.000 . 6.000 5.447 4.769 5.925 . 0 0 "[ . 1 . 2]" 2
359 1 18 CYS H 1 20 HIS HD1 5.320 . 5.320 5.007 4.601 5.261 . 0 0 "[ . 1 . 2]" 2
360 1 19 LYS H 1 21 SER H 4.940 . 4.940 3.062 2.778 3.643 . 0 0 "[ . 1 . 2]" 2
361 1 21 SER HA 1 23 LYS H 3.840 . 3.840 3.784 3.535 3.859 0.019 11 0 "[ . 1 . 2]" 2
362 1 21 SER HB3 1 24 TYR HB3 7.260 . 7.260 5.285 3.999 6.500 . 0 0 "[ . 1 . 2]" 2
363 1 21 SER HB3 1 24 TYR HB2 7.260 . 7.260 3.813 2.549 5.214 . 0 0 "[ . 1 . 2]" 2
364 1 21 SER HB2 1 24 TYR HB3 6.260 . 6.260 4.917 3.863 5.798 . 0 0 "[ . 1 . 2]" 2
365 1 21 SER HB2 1 24 TYR HB2 6.260 . 6.260 3.517 2.447 4.378 . 0 0 "[ . 1 . 2]" 2
366 1 21 SER QB 1 24 TYR QE 6.500 . 6.500 3.163 2.098 3.870 . 0 0 "[ . 1 . 2]" 2
367 1 21 SER QB 1 23 LYS H 5.410 . 5.410 3.421 2.812 4.251 . 0 0 "[ . 1 . 2]" 2
368 1 21 SER QB 1 24 TYR QB 5.660 . 5.660 3.002 2.379 3.984 . 0 0 "[ . 1 . 2]" 2
369 1 22 NLE HA 1 24 TYR QB 5.710 . 5.710 4.187 3.871 4.497 . 0 0 "[ . 1 . 2]" 2
370 1 22 NLE HA 1 24 TYR H 3.390 . 3.390 3.283 3.012 3.493 0.103 17 0 "[ . 1 . 2]" 2
371 1 22 NLE HA 1 25 ARG QB 4.880 . 4.880 3.558 2.635 4.367 . 0 0 "[ . 1 . 2]" 2
372 1 22 NLE HA 1 25 ARG QH2 4.260 . 4.260 3.188 1.774 4.215 0.026 13 0 "[ . 1 . 2]" 2
373 1 22 NLE HA 1 25 ARG H 3.860 2.800 3.860 3.266 2.892 3.944 0.084 13 0 "[ . 1 . 2]" 2
374 1 22 NLE HA 1 25 ARG QH1 6.300 . 6.300 3.508 2.131 4.287 . 0 0 "[ . 1 . 2]" 2
375 1 23 LYS HA 1 26 LEU MD2 6.280 . 6.280 3.963 3.011 5.839 . 0 0 "[ . 1 . 2]" 2
376 1 23 LYS HA 1 27 SER QB 4.500 . 4.500 2.642 2.152 3.512 . 0 0 "[ . 1 . 2]" 2
377 1 23 LYS QD 1 27 SER QB 4.700 . 4.700 4.452 1.953 4.830 0.130 18 0 "[ . 1 . 2]" 2
378 1 24 TYR HA 1 28 PHE HA 6.000 . 6.000 4.638 4.335 5.096 . 0 0 "[ . 1 . 2]" 2
379 1 24 TYR HA 1 28 PHE QB 4.510 . 4.510 2.405 2.056 3.027 . 0 0 "[ . 1 . 2]" 2
380 1 24 TYR HA 1 28 PHE QD 3.330 . 3.330 2.894 2.408 3.300 . 0 0 "[ . 1 . 2]" 2
381 1 24 TYR HA 1 28 PHE QE 4.890 . 4.890 4.745 4.401 5.006 0.116 6 0 "[ . 1 . 2]" 2
382 1 24 TYR QB 1 28 PHE QD 6.000 . 6.000 4.237 3.781 4.727 . 0 0 "[ . 1 . 2]" 2
383 1 24 TYR QB 1 28 PHE H 5.570 . 5.570 4.480 4.158 4.860 . 0 0 "[ . 1 . 2]" 2
384 1 24 TYR QD 1 28 PHE QD 3.720 . 3.720 2.980 2.540 3.776 0.056 19 0 "[ . 1 . 2]" 2
385 1 24 TYR QE 1 28 PHE QB 7.110 . 7.110 3.651 2.837 4.080 . 0 0 "[ . 1 . 2]" 2
386 1 24 TYR QE 1 28 PHE QD 3.900 . 3.900 3.011 2.389 3.816 . 0 0 "[ . 1 . 2]" 2
387 1 24 TYR QE 1 28 PHE QE 4.060 . 4.060 3.216 2.242 4.120 0.060 17 0 "[ . 1 . 2]" 2
388 1 25 ARG HA 1 29 CYS HB3 5.200 . 5.200 3.974 2.210 4.978 . 0 0 "[ . 1 . 2]" 2
389 1 25 ARG HA 1 29 CYS HB2 5.200 . 5.200 3.460 2.447 4.398 . 0 0 "[ . 1 . 2]" 2
390 1 25 ARG HA 1 29 CYS QB 4.740 . 4.740 3.047 2.162 3.865 . 0 0 "[ . 1 . 2]" 2
391 1 25 ARG QB 1 29 CYS QB 6.590 . 6.590 4.708 3.517 5.352 . 0 0 "[ . 1 . 2]" 2
392 1 25 ARG H 1 28 PHE H 5.440 . 5.440 5.009 4.441 5.454 0.014 6 0 "[ . 1 . 2]" 2
393 1 26 LEU QB 1 28 PHE H 5.930 . 5.930 5.878 5.146 6.034 0.104 16 0 "[ . 1 . 2]" 2
394 1 26 LEU HG 1 28 PHE QD 7.500 . 7.500 6.765 6.046 7.534 0.034 3 0 "[ . 1 . 2]" 2
395 1 26 LEU H 1 28 PHE H 4.110 . 4.110 3.739 3.528 4.150 0.040 13 0 "[ . 1 . 2]" 2
396 1 27 SER QB 1 30 ARG QD 5.620 . 5.620 4.912 3.703 5.787 0.167 3 0 "[ . 1 . 2]" 2
397 1 27 SER H 1 31 LYS H 7.000 . 7.000 6.054 5.300 6.601 . 0 0 "[ . 1 . 2]" 2
398 1 27 SER H 1 29 CYS HA 5.390 . 5.390 5.347 4.877 5.518 0.128 7 0 "[ . 1 . 2]" 2
399 1 27 SER H 1 29 CYS H 4.080 . 4.080 3.091 2.279 3.751 . 0 0 "[ . 1 . 2]" 2
400 1 27 SER H 1 30 ARG H 5.140 . 5.140 4.067 2.980 4.794 . 0 0 "[ . 1 . 2]" 2
401 1 28 PHE H 1 30 ARG QG 5.500 . 5.500 3.999 3.518 5.525 0.025 10 0 "[ . 1 . 2]" 2
402 1 28 PHE HB3 1 30 ARG QG 6.500 . 6.500 5.458 4.996 6.204 . 0 0 "[ . 1 . 2]" 2
403 1 28 PHE HA 1 30 ARG QG 5.500 . 5.500 3.644 3.136 4.569 . 0 0 "[ . 1 . 2]" 2
404 1 28 PHE H 1 30 ARG H 4.800 . 4.800 4.475 3.749 4.886 0.086 10 0 "[ . 1 . 2]" 2
405 1 29 CYS HA 1 31 LYS H 3.560 . 3.560 3.162 2.917 3.568 0.008 1 0 "[ . 1 . 2]" 2
406 1 29 CYS HA 1 32 THR HB 5.720 . 5.720 4.111 2.995 4.762 . 0 0 "[ . 1 . 2]" 2
407 1 29 CYS HA 1 32 THR H 4.280 . 4.280 3.276 3.072 3.613 . 0 0 "[ . 1 . 2]" 2
408 1 29 CYS HA 1 33 CYS H 4.280 . 4.280 4.190 3.820 4.328 0.048 16 0 "[ . 1 . 2]" 2
409 1 29 CYS HB3 1 32 THR H 5.290 . 5.290 3.588 2.790 4.533 . 0 0 "[ . 1 . 2]" 2
410 1 29 CYS HB2 1 32 THR H 5.590 2.100 5.590 4.845 4.158 5.437 . 0 0 "[ . 1 . 2]" 2
411 1 29 CYS QB 1 31 LYS QZ 4.930 . 4.930 4.199 3.466 4.610 . 0 0 "[ . 1 . 2]" 2
412 1 29 CYS QB 1 32 THR HB 5.420 . 5.420 2.846 2.168 4.060 . 0 0 "[ . 1 . 2]" 2
413 1 29 CYS QB 1 32 THR H 4.820 . 4.820 3.491 2.750 4.319 . 0 0 "[ . 1 . 2]" 2
414 1 29 CYS QB 1 33 CYS H 4.880 . 4.880 2.549 2.020 3.245 . 0 0 "[ . 1 . 2]" 2
415 1 30 ARG QB 1 32 THR H 5.550 . 5.550 5.337 4.935 5.616 0.066 2 0 "[ . 1 . 2]" 2
416 1 30 ARG QG 1 32 THR H 6.500 . 6.500 5.483 4.423 5.951 . 0 0 "[ . 1 . 2]" 2
417 1 30 ARG H 1 32 THR H 4.720 . 4.720 4.263 3.956 4.573 . 0 0 "[ . 1 . 2]" 2
418 1 30 ARG H 1 32 THR HA 7.500 . 7.500 7.040 6.771 7.324 . 0 0 "[ . 1 . 2]" 2
419 1 30 ARG H 1 33 CYS HB2 7.500 . 7.500 5.996 5.340 6.588 . 0 0 "[ . 1 . 2]" 2
420 1 31 LYS HA 1 33 CYS H 5.650 . 5.650 4.673 3.900 5.236 . 0 0 "[ . 1 . 2]" 2
421 1 31 LYS QB 1 35 THR H 7.500 . 7.500 5.145 4.636 5.595 . 0 0 "[ . 1 . 2]" 2
422 1 31 LYS QD 1 35 THR H 7.500 . 7.500 6.421 5.513 7.156 . 0 0 "[ . 1 . 2]" 2
423 1 31 LYS QG 1 35 THR H 6.300 . 6.300 5.493 5.196 5.935 . 0 0 "[ . 1 . 2]" 2
424 1 31 LYS H 1 33 CYS H 4.200 . 4.200 3.184 2.629 3.706 . 0 0 "[ . 1 . 2]" 2
425 1 31 LYS H 1 35 THR H 4.200 . 4.200 3.979 3.508 4.356 0.156 16 0 "[ . 1 . 2]" 2
426 1 32 THR HA 1 34 GLY H 4.160 . 4.160 3.451 3.285 3.762 . 0 0 "[ . 1 . 2]" 2
427 1 32 THR H 1 34 GLY H 4.620 . 4.620 3.821 3.611 4.118 . 0 0 "[ . 1 . 2]" 2
428 1 32 THR H 1 35 THR H 4.800 . 4.800 4.881 4.836 4.944 0.144 6 0 "[ . 1 . 2]" 2
429 1 33 CYS HA 1 35 THR H 4.620 . 4.620 4.586 4.365 4.721 0.101 13 0 "[ . 1 . 2]" 2
430 1 33 CYS HB3 1 35 THR MG 5.250 . 5.250 3.540 2.470 4.993 . 0 0 "[ . 1 . 2]" 2
431 1 33 CYS HB3 1 35 THR H 4.270 . 4.270 3.657 3.014 4.286 0.016 2 0 "[ . 1 . 2]" 2
432 1 33 CYS HB2 1 35 THR MG 5.250 . 5.250 3.122 2.180 4.330 . 0 0 "[ . 1 . 2]" 2
433 1 33 CYS HB2 1 35 THR H 4.270 . 4.270 3.690 3.085 4.190 . 0 0 "[ . 1 . 2]" 2
434 1 33 CYS QB 1 35 THR H 5.120 . 5.120 3.175 2.905 3.457 . 0 0 "[ . 1 . 2]" 2
435 1 33 CYS H 1 35 THR MG 5.340 . 5.340 3.671 2.624 4.979 . 0 0 "[ . 1 . 2]" 2
436 1 33 CYS H 1 35 THR H 4.440 . 4.440 3.719 3.292 3.952 . 0 0 "[ . 1 . 2]" 2
437 1 34 GLY QA 1 36 CYS H 5.180 . 5.180 3.571 2.907 4.137 . 0 0 "[ . 1 . 2]" 2
438 1 3 SER QB 1 30 ARG QB 6.500 . 6.500 5.565 3.654 6.472 . 0 0 "[ . 1 . 2]" 2
439 1 4 CYS HA 1 30 ARG QH1 4.500 . 4.500 3.796 1.992 5.270 0.770 13 2 "[ . -1 + . 2]" 2
440 1 4 CYS QB 1 30 ARG QH1 6.500 . 6.500 4.348 2.301 6.830 0.330 13 0 "[ . 1 . 2]" 2
441 1 4 CYS QB 1 36 CYS HA 5.500 . 5.500 4.761 2.832 5.507 0.007 10 0 "[ . 1 . 2]" 2
442 1 4 CYS QB 1 36 CYS QB 4.320 . 4.320 3.264 2.169 4.160 . 0 0 "[ . 1 . 2]" 2
443 1 5 ILE HA 1 30 ARG QB 5.200 . 5.200 4.258 2.782 5.381 0.181 7 0 "[ . 1 . 2]" 2
444 1 5 ILE H 1 30 ARG H 5.320 . 5.320 5.214 4.232 5.473 0.153 7 0 "[ . 1 . 2]" 2
445 1 6 ASP HB3 1 28 PHE HA 4.390 . 4.390 3.534 2.376 4.415 0.025 13 0 "[ . 1 . 2]" 2
446 1 6 ASP HB2 1 28 PHE HA 4.500 . 4.500 3.474 2.166 4.587 0.087 5 0 "[ . 1 . 2]" 2
447 1 6 ASP HB2 1 29 CYS HA 6.500 . 6.500 4.730 3.639 5.681 . 0 0 "[ . 1 . 2]" 2
448 1 6 ASP QB 1 29 CYS HA 5.270 . 5.270 3.849 2.936 5.017 . 0 0 "[ . 1 . 2]" 2
449 1 6 ASP QB 1 31 LYS QG 5.820 . 5.820 4.009 3.184 4.996 . 0 0 "[ . 1 . 2]" 2
450 1 6 ASP H 1 30 ARG QG 4.040 . 4.040 4.022 3.725 4.136 0.096 9 0 "[ . 1 . 2]" 2
451 1 7 THR HB 1 28 PHE QD 5.500 . 5.500 5.192 4.380 5.638 0.138 17 0 "[ . 1 . 2]" 2
452 1 7 THR MG 1 28 PHE QD 4.670 . 4.670 3.780 2.259 4.727 0.057 17 0 "[ . 1 . 2]" 2
453 1 7 THR H 1 28 PHE QB 6.210 . 6.210 3.978 3.133 5.014 . 0 0 "[ . 1 . 2]" 2
454 1 7 THR H 1 28 PHE QD 5.190 . 5.190 3.389 2.482 4.479 . 0 0 "[ . 1 . 2]" 2
455 1 8 ILE MD 1 13 CYS H 5.020 . 5.020 3.982 2.788 4.905 . 0 0 "[ . 1 . 2]" 2
456 1 8 ILE MD 1 24 TYR QD 4.400 . 4.400 3.738 2.346 4.412 0.012 19 0 "[ . 1 . 2]" 2
457 1 8 ILE MD 1 24 TYR QE 4.050 . 4.050 2.837 1.975 3.915 . 0 0 "[ . 1 . 2]" 2
458 1 8 ILE MD 1 28 PHE HB3 3.380 . 3.380 2.157 1.915 2.367 . 0 0 "[ . 1 . 2]" 2
459 1 8 ILE MD 1 28 PHE HB2 3.380 . 3.380 2.885 2.430 3.323 . 0 0 "[ . 1 . 2]" 2
460 1 8 ILE MD 1 28 PHE QB 3.070 . 3.070 2.089 1.859 2.282 . 0 0 "[ . 1 . 2]" 2
461 1 8 ILE MD 1 28 PHE QD 4.610 . 4.610 3.161 2.126 3.812 . 0 0 "[ . 1 . 2]" 2
462 1 8 ILE MD 1 29 CYS H 5.190 . 5.190 4.553 3.339 5.231 0.041 11 0 "[ . 1 . 2]" 2
463 1 8 ILE MD 1 24 TYR HA 4.970 . 4.970 4.696 3.874 5.068 0.098 14 0 "[ . 1 . 2]" 2
464 1 8 ILE MD 1 28 PHE QE 5.560 . 5.560 4.552 3.334 5.270 . 0 0 "[ . 1 . 2]" 2
465 1 8 ILE MD 1 28 PHE H 5.990 . 5.990 4.927 4.387 5.296 . 0 0 "[ . 1 . 2]" 2
466 1 8 ILE MG 1 28 PHE HB3 5.040 . 5.040 3.118 1.994 3.965 . 0 0 "[ . 1 . 2]" 2
467 1 8 ILE MG 1 28 PHE HB2 5.040 . 5.040 4.285 2.947 5.127 0.087 9 0 "[ . 1 . 2]" 2
468 1 8 ILE MG 1 28 PHE QB 4.710 . 4.710 3.041 1.980 3.827 . 0 0 "[ . 1 . 2]" 2
469 1 8 ILE QG 1 28 PHE QD 4.660 . 4.660 3.449 2.203 4.369 . 0 0 "[ . 1 . 2]" 2
470 1 8 ILE QG 1 28 PHE H 6.320 . 6.320 5.739 4.895 6.455 0.135 13 0 "[ . 1 . 2]" 2
471 1 8 ILE QG 1 24 TYR QD 5.590 . 5.590 5.255 4.326 5.686 0.096 13 0 "[ . 1 . 2]" 2
472 1 8 ILE H 1 28 PHE QB 6.380 . 6.380 3.977 3.544 4.790 . 0 0 "[ . 1 . 2]" 2
473 1 8 ILE QG 1 28 PHE HB3 4.570 . 4.570 2.582 1.957 3.537 . 0 0 "[ . 1 . 2]" 2
474 1 8 ILE QG 1 28 PHE HB2 4.570 . 4.570 3.925 3.278 4.626 0.056 3 0 "[ . 1 . 2]" 2
475 1 8 ILE QG 1 28 PHE QB 4.080 . 4.080 2.543 1.945 3.431 . 0 0 "[ . 1 . 2]" 2
476 1 12 ARG QB 1 24 TYR QD 5.920 . 5.920 4.869 4.236 5.466 . 0 0 "[ . 1 . 2]" 2
477 1 12 ARG QB 1 24 TYR QE 4.720 . 4.720 2.996 2.501 3.808 . 0 0 "[ . 1 . 2]" 2
478 1 13 CYS HA 1 18 CYS H 4.910 . 4.910 4.600 3.916 4.901 . 0 0 "[ . 1 . 2]" 2
479 1 13 CYS HA 1 24 TYR QD 3.630 . 3.630 2.856 2.335 3.549 . 0 0 "[ . 1 . 2]" 2
480 1 13 CYS HA 1 24 TYR QE 4.430 . 4.430 2.935 2.212 4.171 . 0 0 "[ . 1 . 2]" 2
481 1 13 CYS HA 1 29 CYS HA 7.510 . 7.510 6.214 5.485 6.683 . 0 0 "[ . 1 . 2]" 2
482 1 13 CYS HB2 1 24 TYR QD 7.500 . 7.500 4.175 2.781 5.079 . 0 0 "[ . 1 . 2]" 2
483 1 13 CYS QB 1 32 THR HA 6.140 . 6.140 5.503 4.444 6.128 . 0 0 "[ . 1 . 2]" 2
484 1 13 CYS QB 1 29 CYS HA 6.560 . 6.560 4.328 3.505 4.919 . 0 0 "[ . 1 . 2]" 2
485 1 13 CYS QB 1 32 THR H 6.250 . 6.250 5.332 4.529 6.162 . 0 0 "[ . 1 . 2]" 2
486 1 16 PHE QE 1 21 SER H 5.500 . 5.500 5.262 4.727 5.526 0.026 20 0 "[ . 1 . 2]" 2
487 1 17 GLN HB3 1 24 TYR HB3 5.920 . 5.920 3.943 3.423 4.422 . 0 0 "[ . 1 . 2]" 2
488 1 17 GLN HB3 1 24 TYR HB2 5.920 . 5.920 4.071 3.164 4.705 . 0 0 "[ . 1 . 2]" 2
489 1 17 GLN HB3 1 24 TYR QD 4.970 . 4.970 2.865 2.216 3.502 . 0 0 "[ . 1 . 2]" 2
490 1 17 GLN HB2 1 24 TYR HB3 5.920 . 5.920 5.212 3.940 5.863 . 0 0 "[ . 1 . 2]" 2
491 1 17 GLN HB2 1 24 TYR HB2 5.920 . 5.920 5.497 4.242 5.953 0.033 17 0 "[ . 1 . 2]" 2
492 1 17 GLN HB2 1 24 TYR QD 4.970 . 4.970 3.930 2.924 4.890 . 0 0 "[ . 1 . 2]" 2
493 1 17 GLN QB 1 24 TYR QB 4.730 . 4.730 3.452 2.813 3.828 . 0 0 "[ . 1 . 2]" 2
494 1 17 GLN QB 1 24 TYR QD 4.620 . 4.620 2.784 2.203 3.429 . 0 0 "[ . 1 . 2]" 2
495 1 17 GLN QE 1 24 TYR QD 5.270 . 5.270 4.479 3.184 5.316 0.046 3 0 "[ . 1 . 2]" 2
496 1 17 GLN QE 1 24 TYR QE . . 4.300 3.665 2.316 4.336 0.036 13 0 "[ . 1 . 2]" 2
497 1 17 GLN QG 1 24 TYR QD 5.600 . 5.600 3.836 2.897 4.575 . 0 0 "[ . 1 . 2]" 2
498 1 18 CYS HA 1 24 TYR HB3 4.500 . 4.500 2.738 2.256 3.232 . 0 0 "[ . 1 . 2]" 2
499 1 18 CYS HA 1 24 TYR HB2 4.500 . 4.500 2.769 2.336 3.404 . 0 0 "[ . 1 . 2]" 2
500 1 18 CYS HA 1 24 TYR QB 4.310 . 4.310 2.424 2.091 2.896 . 0 0 "[ . 1 . 2]" 2
501 1 18 CYS HA 1 24 TYR H 5.220 . 5.220 4.700 4.188 5.309 0.089 13 0 "[ . 1 . 2]" 2
502 1 18 CYS HA 1 25 ARG HA 5.530 . 5.530 4.649 4.150 4.972 . 0 0 "[ . 1 . 2]" 2
503 1 18 CYS HA 1 25 ARG QB 5.980 . 5.980 4.602 3.484 5.212 . 0 0 "[ . 1 . 2]" 2
504 1 18 CYS HA 1 25 ARG H 3.930 . 3.930 3.898 3.276 4.023 0.093 13 0 "[ . 1 . 2]" 2
505 1 18 CYS HA 1 33 CYS HB2 5.500 . 5.500 5.176 4.467 5.591 0.091 18 0 "[ . 1 . 2]" 2
506 1 18 CYS H 1 24 TYR HB3 4.820 . 4.820 4.575 4.014 4.838 0.018 6 0 "[ . 1 . 2]" 2
507 1 18 CYS H 1 24 TYR QB 4.570 . 4.570 4.185 3.802 4.412 . 0 0 "[ . 1 . 2]" 2
508 1 23 LYS HA 1 28 PHE H 4.560 . 4.560 4.610 4.255 4.722 0.162 8 0 "[ . 1 . 2]" 2
509 1 23 LYS HA 1 28 PHE QD 6.500 . 6.500 5.054 4.448 5.562 . 0 0 "[ . 1 . 2]" 2
510 1 23 LYS HA 1 28 PHE QE 7.000 . 7.000 4.942 4.633 5.370 . 0 0 "[ . 1 . 2]" 2
511 1 23 LYS HB3 1 28 PHE QE 5.280 . 5.280 3.964 3.154 4.890 . 0 0 "[ . 1 . 2]" 2
512 1 23 LYS HB2 1 28 PHE QE 5.280 . 5.280 2.773 2.146 4.774 . 0 0 "[ . 1 . 2]" 2
513 1 23 LYS QB 1 28 PHE QD 5.970 . 5.970 3.560 2.501 4.672 . 0 0 "[ . 1 . 2]" 2
514 1 23 LYS QB 1 28 PHE QE 5.990 . 5.990 2.689 2.120 4.029 . 0 0 "[ . 1 . 2]" 2
515 1 23 LYS QB 1 28 PHE HZ 6.040 . 6.040 3.764 2.431 5.188 . 0 0 "[ . 1 . 2]" 2
516 1 23 LYS QD 1 28 PHE QD 4.630 . 4.630 3.799 3.013 4.679 0.049 18 0 "[ . 1 . 2]" 2
517 1 23 LYS QD 1 28 PHE QE 4.580 . 4.580 2.546 2.039 3.138 . 0 0 "[ . 1 . 2]" 2
518 1 23 LYS QD 1 28 PHE HZ 4.480 . 4.480 3.868 2.762 4.528 0.048 14 0 "[ . 1 . 2]" 2
519 1 23 LYS QG 1 28 PHE QE 4.700 . 4.700 3.378 1.954 4.557 . 0 0 "[ . 1 . 2]" 2
520 1 24 TYR QD 1 29 CYS HB2 7.500 . 7.500 3.539 2.212 4.688 . 0 0 "[ . 1 . 2]" 2
521 1 25 ARG HA 1 31 LYS H 6.300 . 6.300 5.382 4.438 6.319 0.019 17 0 "[ . 1 . 2]" 2
522 1 25 ARG HA 1 33 CYS HB3 4.730 . 4.730 3.391 2.198 4.348 . 0 0 "[ . 1 . 2]" 2
523 1 25 ARG HA 1 33 CYS HB2 4.730 . 4.730 2.794 2.231 3.533 . 0 0 "[ . 1 . 2]" 2
524 1 25 ARG HA 1 33 CYS H 4.950 2.800 4.950 4.498 3.899 4.907 . 0 0 "[ . 1 . 2]" 2
525 1 25 ARG HA 1 35 THR H 5.900 2.200 5.900 5.012 4.531 5.348 . 0 0 "[ . 1 . 2]" 2
526 1 25 ARG HA 1 35 THR HB 3.660 . 3.660 3.466 2.913 3.718 0.058 3 0 "[ . 1 . 2]" 2
527 1 25 ARG HA 1 35 THR MG 4.240 . 4.240 2.869 2.229 3.534 . 0 0 "[ . 1 . 2]" 2
528 1 25 ARG QB 1 33 CYS QB 7.490 . 7.490 3.335 2.369 4.116 . 0 0 "[ . 1 . 2]" 2
529 1 25 ARG QB 1 35 THR MG 5.990 . 5.990 3.616 2.866 4.144 . 0 0 "[ . 1 . 2]" 2
530 1 25 ARG HG3 1 33 CYS HB3 6.310 . 6.310 4.501 2.724 5.809 . 0 0 "[ . 1 . 2]" 2
531 1 25 ARG HG3 1 33 CYS HB2 6.310 . 6.310 4.529 3.415 5.887 . 0 0 "[ . 1 . 2]" 2
532 1 25 ARG HG2 1 33 CYS HB3 6.310 . 6.310 3.518 2.216 5.502 . 0 0 "[ . 1 . 2]" 2
533 1 25 ARG HG2 1 33 CYS HB2 6.310 . 6.310 3.848 2.311 5.529 . 0 0 "[ . 1 . 2]" 2
534 1 25 ARG QG 1 33 CYS HA 6.800 . 6.800 5.215 4.278 6.821 0.021 7 0 "[ . 1 . 2]" 2
535 1 25 ARG QG 1 33 CYS QB 5.130 . 5.130 3.012 2.115 4.324 . 0 0 "[ . 1 . 2]" 2
536 1 25 ARG QG 1 33 CYS H 7.060 . 7.060 5.389 4.278 6.900 . 0 0 "[ . 1 . 2]" 2
537 1 25 ARG QG 1 35 THR MG 5.750 . 5.750 4.368 3.868 5.016 . 0 0 "[ . 1 . 2]" 2
538 1 25 ARG H 1 33 CYS QB 5.710 . 5.710 4.882 4.142 5.332 . 0 0 "[ . 1 . 2]" 2
539 1 25 ARG H 1 35 THR MG 5.160 . 5.160 5.059 4.593 5.282 0.122 7 0 "[ . 1 . 2]" 2
540 1 29 CYS HA 1 34 GLY H 6.500 . 6.500 6.391 6.056 6.575 0.075 2 0 "[ . 1 . 2]" 2
541 1 30 ARG HA 1 36 CYS H 4.500 . 4.500 3.939 3.252 4.440 . 0 0 "[ . 1 . 2]" 2
542 1 30 ARG QG 1 36 CYS H 6.500 . 6.500 6.072 5.205 6.530 0.030 5 0 "[ . 1 . 2]" 2
543 1 30 ARG QH1 1 35 THR MG 4.510 . 4.510 5.048 1.770 6.069 1.559 3 14 "[**+*** * - *.*****]" 2
544 1 30 ARG QH1 1 36 CYS HA 6.510 . 6.510 6.540 3.741 8.189 1.679 14 8 "[ * ** *- +. * *]" 2
545 1 30 ARG QH1 1 36 CYS QB 5.510 . 5.510 4.855 1.579 7.181 1.671 9 3 "[ .- +1 * . 2]" 2
546 1 30 ARG H 1 35 THR MG 6.500 . 6.500 4.043 3.860 4.337 . 0 0 "[ . 1 . 2]" 2
547 1 31 LYS QD 1 36 CYS H 6.530 . 6.530 6.298 5.760 6.555 0.025 5 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 14
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 5.031
_Distance_constraint_stats_list.Viol_max 0.032
_Distance_constraint_stats_list.Viol_rms 0.0040
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0132
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 PRO 0.072 0.032 3 0 "[ . 1 . 2]"
1 10 LYS 0.050 0.020 2 0 "[ . 1 . 2]"
1 12 ARG 0.072 0.032 3 0 "[ . 1 . 2]"
1 13 CYS 0.050 0.020 2 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.006 0.006 8 0 "[ . 1 . 2]"
1 18 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.006 0.006 8 0 "[ . 1 . 2]"
1 23 LYS 0.049 0.028 13 0 "[ . 1 . 2]"
1 28 PHE 0.049 0.028 13 0 "[ . 1 . 2]"
1 31 LYS 0.074 0.024 18 0 "[ . 1 . 2]"
1 34 GLY 0.074 0.024 18 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 PRO O 1 12 ARG H 2.400 . 2.600 2.032 1.714 2.565 . 0 0 "[ . 1 . 2]" 3
2 1 9 PRO O 1 12 ARG N 3.300 2.500 3.500 2.768 2.468 3.383 0.032 3 0 "[ . 1 . 2]" 3
3 1 10 LYS O 1 13 CYS H 2.400 . 2.600 2.077 1.580 2.588 0.020 2 0 "[ . 1 . 2]" 3
4 1 10 LYS O 1 13 CYS N 3.300 2.500 3.500 2.966 2.501 3.520 0.020 17 0 "[ . 1 . 2]" 3
5 1 14 THR O 1 18 CYS H 2.400 . 2.600 2.069 1.717 2.432 . 0 0 "[ . 1 . 2]" 3
6 1 14 THR O 1 18 CYS N 3.300 2.500 3.500 3.024 2.673 3.393 . 0 0 "[ . 1 . 2]" 3
7 1 16 PHE O 1 20 HIS H 2.400 . 2.600 2.048 1.740 2.357 . 0 0 "[ . 1 . 2]" 3
8 1 16 PHE O 1 20 HIS N 3.300 2.500 3.500 2.919 2.614 3.209 . 0 0 "[ . 1 . 2]" 3
9 1 17 GLN O 1 21 SER H 2.400 . 2.600 2.140 1.694 2.549 . 0 0 "[ . 1 . 2]" 3
10 1 17 GLN O 1 21 SER N 3.300 2.500 3.500 2.928 2.494 3.379 0.006 8 0 "[ . 1 . 2]" 3
11 1 23 LYS O 1 28 PHE H 2.400 . 2.600 2.295 1.791 2.628 0.028 13 0 "[ . 1 . 2]" 3
12 1 23 LYS O 1 28 PHE N 3.300 2.500 3.500 3.149 2.668 3.458 . 0 0 "[ . 1 . 2]" 3
13 1 31 LYS O 1 34 GLY H 2.400 . 2.600 1.991 1.589 2.433 0.011 19 0 "[ . 1 . 2]" 3
14 1 31 LYS O 1 34 GLY N 3.300 2.500 3.500 2.795 2.476 3.259 0.024 18 0 "[ . 1 . 2]" 3
stop_
save_
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