NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
378702 |
1hi7   |
4930 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hi7
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 68
_Distance_constraint_stats_list.Viol_count 72
_Distance_constraint_stats_list.Viol_total 12.952
_Distance_constraint_stats_list.Viol_max 0.166
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0019
_Distance_constraint_stats_list.Viol_average_violations_only 0.0180
_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 3 GLN 0.021 0.016 9 0 "[ . 1]"
1 4 THR 0.016 0.016 9 0 "[ . 1]"
1 5 GLU 0.000 0.000 . 0 "[ . 1]"
1 9 VAL 0.000 0.000 . 0 "[ . 1]"
1 13 GLU 0.009 0.006 2 0 "[ . 1]"
1 14 ARG 0.001 0.001 1 0 "[ . 1]"
1 16 ASN 0.000 0.000 . 0 "[ . 1]"
1 17 CYS 0.372 0.062 10 0 "[ . 1]"
1 19 PHE 0.460 0.062 10 0 "[ . 1]"
1 23 THR 0.000 0.000 . 0 "[ . 1]"
1 25 SER 0.154 0.024 6 0 "[ . 1]"
1 26 GLN 0.012 0.006 7 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 34 PHE 0.012 0.006 7 0 "[ . 1]"
1 36 ASP 0.000 0.000 . 0 "[ . 1]"
1 38 VAL 0.043 0.019 5 0 "[ . 1]"
1 41 VAL 0.050 0.019 5 0 "[ . 1]"
1 42 PRO 0.000 0.000 . 0 "[ . 1]"
1 43 TRP 0.003 0.003 9 0 "[ . 1]"
1 44 CYS 0.076 0.014 9 0 "[ . 1]"
1 45 PHE 0.000 0.000 . 0 "[ . 1]"
1 48 ASN 0.000 0.000 . 0 "[ . 1]"
1 49 THR 0.185 0.166 8 0 "[ . 1]"
1 50 ILE 0.169 0.166 8 0 "[ . 1]"
1 51 ASP 0.000 0.000 . 0 "[ . 1]"
1 52 VAL 0.005 0.005 2 0 "[ . 1]"
1 53 PRO 0.000 0.000 . 0 "[ . 1]"
1 54 PRO 0.000 0.000 . 0 "[ . 1]"
1 55 GLU 0.003 0.003 9 0 "[ . 1]"
1 56 GLU 0.000 0.000 . 0 "[ . 1]"
1 57 GLU 0.000 0.000 . 0 "[ . 1]"
1 58 CYS 0.003 0.003 9 0 "[ . 1]"
1 59 GLU 0.000 0.000 . 0 "[ . 1]"
1 60 PHE 0.000 0.000 . 0 "[ . 1]"
2 3 GLN 0.049 0.049 5 0 "[ . 1]"
2 4 THR 0.049 0.049 5 0 "[ . 1]"
2 5 GLU 0.009 0.009 7 0 "[ . 1]"
2 9 VAL 0.000 0.000 . 0 "[ . 1]"
2 13 GLU 0.009 0.009 10 0 "[ . 1]"
2 14 ARG 0.000 0.000 . 0 "[ . 1]"
2 16 ASN 0.000 0.000 . 0 "[ . 1]"
2 17 CYS 0.262 0.057 8 0 "[ . 1]"
2 19 PHE 0.330 0.057 8 0 "[ . 1]"
2 23 THR 0.000 0.000 . 0 "[ . 1]"
2 25 SER 0.000 0.000 . 0 "[ . 1]"
2 26 GLN 0.006 0.004 4 0 "[ . 1]"
2 28 ALA 0.154 0.024 6 0 "[ . 1]"
2 31 GLY 0.154 0.024 6 0 "[ . 1]"
2 34 PHE 0.013 0.007 4 0 "[ . 1]"
2 36 ASP 0.007 0.007 4 0 "[ . 1]"
2 38 VAL 0.018 0.008 9 0 "[ . 1]"
2 41 VAL 0.026 0.009 10 0 "[ . 1]"
2 42 PRO 0.000 0.000 . 0 "[ . 1]"
2 43 TRP 0.000 0.000 . 0 "[ . 1]"
2 44 CYS 0.062 0.017 6 0 "[ . 1]"
2 45 PHE 0.000 0.000 . 0 "[ . 1]"
2 48 ASN 0.000 0.000 . 0 "[ . 1]"
2 49 THR 0.065 0.049 5 0 "[ . 1]"
2 50 ILE 0.025 0.016 6 0 "[ . 1]"
2 51 ASP 0.000 0.000 . 0 "[ . 1]"
2 52 VAL 0.000 0.000 . 0 "[ . 1]"
2 53 PRO 0.000 0.000 . 0 "[ . 1]"
2 54 PRO 0.000 0.000 . 0 "[ . 1]"
2 55 GLU 0.003 0.003 9 0 "[ . 1]"
2 56 GLU 0.000 0.000 . 0 "[ . 1]"
2 57 GLU 0.000 0.000 . 0 "[ . 1]"
2 58 CYS 0.003 0.003 9 0 "[ . 1]"
2 59 GLU 0.000 0.000 . 0 "[ . 1]"
2 60 PHE 0.000 0.000 . 0 "[ . 1]"
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 3 GLN QG 1 52 VAL H 4.500 . 5.500 4.056 1.924 5.505 0.005 2 0 "[ . 1]" 1
2 1 3 GLN QE 1 4 THR MG 4.500 . 5.500 4.241 2.153 5.516 0.016 9 0 "[ . 1]" 1
3 1 5 GLU QG 1 50 ILE H 4.500 . 5.500 4.626 3.932 5.385 . 0 0 "[ . 1]" 1
4 1 9 VAL H 1 48 ASN QD 4.500 . 5.500 3.991 3.069 4.662 . 0 0 "[ . 1]" 1
5 1 13 GLU H 1 41 VAL MG1 4.500 . 5.500 5.356 5.052 5.506 0.006 2 0 "[ . 1]" 1
6 1 14 ARG H 1 41 VAL MG1 4.500 . 5.500 5.176 4.785 5.501 0.001 1 0 "[ . 1]" 1
7 1 16 ASN QD 1 42 PRO QG 4.000 . 5.000 3.448 1.864 4.110 . 0 0 "[ . 1]" 1
8 1 16 ASN HA 1 45 PHE H 4.500 . 5.500 4.929 4.442 5.499 . 0 0 "[ . 1]" 1
9 1 19 PHE H 1 44 CYS H 4.500 . 5.500 5.494 5.423 5.514 0.014 9 0 "[ . 1]" 1
10 1 17 CYS H 1 19 PHE H 4.500 . 5.500 5.537 5.519 5.562 0.062 10 0 "[ . 1]" 1
11 1 23 THR HB 1 25 SER H 4.500 . 5.500 3.081 2.891 3.400 . 0 0 "[ . 1]" 1
12 1 34 PHE HA 1 36 ASP H 4.500 . 5.500 5.134 4.846 5.466 . 0 0 "[ . 1]" 1
13 1 36 ASP H 1 38 VAL H 4.500 . 5.500 4.938 4.426 5.458 . 0 0 "[ . 1]" 1
14 1 38 VAL HA 1 41 VAL H 4.500 . 5.500 5.466 5.374 5.519 0.019 5 0 "[ . 1]" 1
15 1 38 VAL HA 1 43 TRP HE1 4.500 . 5.500 5.168 4.747 5.503 0.003 9 0 "[ . 1]" 1
16 1 13 GLU H 1 14 ARG HG2 4.500 . 5.500 4.827 4.568 5.164 . 0 0 "[ . 1]" 1
17 1 51 ASP H 1 53 PRO QD 4.500 . 5.500 4.537 3.668 5.158 . 0 0 "[ . 1]" 1
18 1 54 PRO HA 1 55 GLU H 3.500 . 4.000 2.890 2.154 3.564 . 0 0 "[ . 1]" 1
19 1 19 PHE QE 1 26 GLN H 4.500 . 5.500 5.301 4.779 5.506 0.006 7 0 "[ . 1]" 1
20 1 25 SER QB 1 28 ALA H 4.500 . 5.500 5.122 4.846 5.288 . 0 0 "[ . 1]" 1
21 1 49 THR H 1 50 ILE MD 4.500 . 5.500 5.220 4.676 5.666 0.166 8 0 "[ . 1]" 1
22 2 3 GLN QG 2 52 VAL H 4.500 . 5.500 4.838 3.740 5.471 . 0 0 "[ . 1]" 1
23 2 3 GLN QE 2 4 THR MG 4.500 . 5.500 4.232 2.416 5.549 0.049 5 0 "[ . 1]" 1
24 2 5 GLU QG 2 50 ILE H 4.500 . 5.500 4.868 3.823 5.509 0.009 7 0 "[ . 1]" 1
25 2 9 VAL H 2 48 ASN QD 4.500 . 5.500 4.094 3.332 4.634 . 0 0 "[ . 1]" 1
26 2 13 GLU H 2 41 VAL MG1 4.500 . 5.500 5.343 5.149 5.509 0.009 10 0 "[ . 1]" 1
27 2 14 ARG H 2 41 VAL MG1 4.500 . 5.500 5.211 5.033 5.466 . 0 0 "[ . 1]" 1
28 2 16 ASN QD 2 42 PRO QG 4.000 . 5.000 3.180 1.906 4.738 . 0 0 "[ . 1]" 1
29 2 16 ASN HA 2 45 PHE H 4.500 . 5.500 5.209 4.909 5.472 . 0 0 "[ . 1]" 1
30 2 19 PHE H 2 44 CYS H 4.500 . 5.500 5.421 5.058 5.517 0.017 6 0 "[ . 1]" 1
31 2 17 CYS H 2 19 PHE H 4.500 . 5.500 5.526 5.502 5.557 0.057 8 0 "[ . 1]" 1
32 2 23 THR HB 2 25 SER H 4.500 . 5.500 3.222 2.963 3.460 . 0 0 "[ . 1]" 1
33 2 34 PHE HA 2 36 ASP H 4.500 . 5.500 5.183 4.941 5.507 0.007 4 0 "[ . 1]" 1
34 2 36 ASP H 2 38 VAL H 4.500 . 5.500 5.001 4.548 5.377 . 0 0 "[ . 1]" 1
35 2 38 VAL HA 2 41 VAL H 4.500 . 5.500 5.479 5.393 5.508 0.008 9 0 "[ . 1]" 1
36 2 38 VAL HA 2 43 TRP HE1 4.500 . 5.500 5.022 4.637 5.451 . 0 0 "[ . 1]" 1
37 2 13 GLU H 2 14 ARG HG2 4.500 . 5.500 4.900 4.588 5.116 . 0 0 "[ . 1]" 1
38 2 51 ASP H 2 53 PRO QD 4.500 . 5.500 4.317 3.832 5.043 . 0 0 "[ . 1]" 1
39 2 54 PRO HA 2 55 GLU H 3.500 . 4.000 2.891 2.209 3.572 . 0 0 "[ . 1]" 1
40 2 19 PHE QE 2 26 GLN H 4.500 . 5.500 5.247 4.685 5.504 0.004 4 0 "[ . 1]" 1
41 1 25 SER QB 2 28 ALA H 4.500 . 5.500 5.515 5.504 5.524 0.024 6 0 "[ . 1]" 1
42 2 49 THR H 2 50 ILE MD 4.500 . 5.500 5.102 4.528 5.516 0.016 6 0 "[ . 1]" 1
43 1 58 CYS H 1 60 PHE QR 4.500 . 5.500 4.455 2.559 5.450 . 0 0 "[ . 1]" 1
44 1 59 GLU H 1 60 PHE QD 4.500 . 5.500 3.518 2.345 4.952 . 0 0 "[ . 1]" 1
45 1 55 GLU H 1 58 CYS HA 4.500 . 5.500 5.033 4.531 5.503 0.003 9 0 "[ . 1]" 1
46 1 58 CYS H 1 60 PHE H 4.500 . 5.500 4.042 2.870 5.379 . 0 0 "[ . 1]" 1
47 1 56 GLU HA 1 57 GLU H 3.500 . 4.000 2.509 2.122 3.099 . 0 0 "[ . 1]" 1
48 1 57 GLU HA 1 58 CYS H . . 3.200 2.306 2.037 2.815 . 0 0 "[ . 1]" 1
49 1 57 GLU H 1 58 CYS H 4.000 . 5.000 2.943 1.612 3.699 . 0 0 "[ . 1]" 1
50 1 58 CYS H 1 59 GLU H 4.000 . 5.000 2.281 1.569 3.272 . 0 0 "[ . 1]" 1
51 1 58 CYS HA 1 59 GLU H 2.700 . 3.200 2.529 2.140 2.987 . 0 0 "[ . 1]" 1
52 1 58 CYS HA 1 60 PHE H 4.500 . 5.500 4.138 3.241 5.221 . 0 0 "[ . 1]" 1
53 1 58 CYS HB3 1 59 GLU H 3.500 . 4.000 2.740 1.969 3.574 . 0 0 "[ . 1]" 1
54 1 58 CYS HB2 1 59 GLU H 3.500 . 4.000 3.136 2.195 3.865 . 0 0 "[ . 1]" 1
55 1 59 GLU H 1 60 PHE H 3.500 . 4.000 2.174 1.544 3.241 . 0 0 "[ . 1]" 1
56 1 59 GLU HA 1 60 PHE H 2.700 . 3.200 2.573 2.124 3.042 . 0 0 "[ . 1]" 1
57 1 59 GLU HB3 1 60 PHE H 4.000 . 5.000 2.901 1.672 3.755 . 0 0 "[ . 1]" 1
58 1 59 GLU HB2 1 60 PHE H 4.000 . 5.000 2.675 1.763 3.712 . 0 0 "[ . 1]" 1
59 1 59 GLU HG3 1 60 PHE H 4.000 . 5.000 3.428 2.385 4.184 . 0 0 "[ . 1]" 1
60 1 59 GLU HG2 1 60 PHE H 4.000 . 5.000 3.522 2.645 4.372 . 0 0 "[ . 1]" 1
61 1 60 PHE H 1 60 PHE QD 3.500 . 4.000 2.599 1.969 3.795 . 0 0 "[ . 1]" 1
62 1 56 GLU H 1 58 CYS HA 4.500 . 5.500 4.092 3.858 4.301 . 0 0 "[ . 1]" 1
63 1 56 GLU H 1 58 CYS HB3 4.500 . 5.500 4.526 3.663 5.377 . 0 0 "[ . 1]" 1
64 1 56 GLU H 1 58 CYS HB2 4.500 . 5.500 4.466 3.385 5.287 . 0 0 "[ . 1]" 1
65 1 54 PRO QD 1 56 GLU H 4.500 . 5.500 4.992 4.354 5.465 . 0 0 "[ . 1]" 1
66 1 56 GLU QG 1 58 CYS H 4.000 . 5.000 2.678 1.264 3.631 . 0 0 "[ . 1]" 1
67 1 56 GLU QB 1 58 CYS H 4.000 . 5.000 2.207 1.491 3.360 . 0 0 "[ . 1]" 1
68 1 54 PRO QD 1 55 GLU H 4.500 . 5.500 3.153 2.252 4.430 . 0 0 "[ . 1]" 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 597
_Distance_constraint_stats_list.Viol_count 158
_Distance_constraint_stats_list.Viol_total 21.777
_Distance_constraint_stats_list.Viol_max 0.142
_Distance_constraint_stats_list.Viol_rms 0.0043
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0138
_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 1 GLU 0.000 0.000 . 0 "[ . 1]"
1 2 ALA 0.001 0.001 2 0 "[ . 1]"
1 3 GLN 0.001 0.001 2 0 "[ . 1]"
1 4 THR 0.311 0.077 10 0 "[ . 1]"
1 5 GLU 0.052 0.045 8 0 "[ . 1]"
1 6 THR 0.019 0.010 10 0 "[ . 1]"
1 7 CYS 0.065 0.022 1 0 "[ . 1]"
1 8 THR 0.012 0.008 3 0 "[ . 1]"
1 9 VAL 0.034 0.018 6 0 "[ . 1]"
1 10 ALA 0.024 0.010 8 0 "[ . 1]"
1 11 PRO 0.000 0.000 . 0 "[ . 1]"
1 12 ARG 0.000 0.000 . 0 "[ . 1]"
1 13 GLU 0.062 0.017 6 0 "[ . 1]"
1 14 ARG 0.066 0.018 6 0 "[ . 1]"
1 15 GLN 0.045 0.017 6 0 "[ . 1]"
1 16 ASN 0.023 0.007 3 0 "[ . 1]"
1 17 CYS 0.323 0.044 7 0 "[ . 1]"
1 18 GLY 0.305 0.044 7 0 "[ . 1]"
1 19 PHE 0.056 0.027 7 0 "[ . 1]"
1 20 PRO 0.000 0.000 . 0 "[ . 1]"
1 21 GLY 0.604 0.142 2 0 "[ . 1]"
1 22 VAL 0.092 0.015 2 0 "[ . 1]"
1 23 THR 0.000 0.000 . 0 "[ . 1]"
1 24 PRO 0.000 0.000 . 0 "[ . 1]"
1 25 SER 0.000 0.000 . 0 "[ . 1]"
1 26 GLN 0.050 0.008 2 0 "[ . 1]"
1 27 CYS 0.006 0.003 4 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 29 ASN 0.018 0.005 9 0 "[ . 1]"
1 30 LYS 0.000 0.000 . 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 CYS 0.022 0.011 10 0 "[ . 1]"
1 33 CYS 0.007 0.007 5 0 "[ . 1]"
1 34 PHE 0.113 0.022 1 0 "[ . 1]"
1 35 ASP 0.006 0.005 6 0 "[ . 1]"
1 36 ASP 0.001 0.001 9 0 "[ . 1]"
1 37 THR 0.000 0.000 . 0 "[ . 1]"
1 38 VAL 0.005 0.005 6 0 "[ . 1]"
1 39 ARG 0.024 0.005 6 0 "[ . 1]"
1 40 GLY 0.002 0.002 10 0 "[ . 1]"
1 41 VAL 0.000 0.000 . 0 "[ . 1]"
1 42 PRO 0.011 0.005 3 0 "[ . 1]"
1 43 TRP 0.068 0.010 7 0 "[ . 1]"
1 44 CYS 0.032 0.009 8 0 "[ . 1]"
1 45 PHE 0.035 0.011 10 0 "[ . 1]"
1 46 TYR 0.095 0.021 10 0 "[ . 1]"
1 47 PRO 0.200 0.074 8 0 "[ . 1]"
1 48 ASN 0.227 0.086 8 0 "[ . 1]"
1 49 THR 0.130 0.074 8 0 "[ . 1]"
1 50 ILE 0.413 0.086 8 0 "[ . 1]"
1 51 ASP 0.051 0.035 10 0 "[ . 1]"
1 52 VAL 0.000 0.000 . 0 "[ . 1]"
1 53 PRO 0.000 0.000 . 0 "[ . 1]"
1 54 PRO 0.000 0.000 . 0 "[ . 1]"
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 VAL H 1 14 ARG QH 4.500 . 5.500 4.029 3.484 4.834 . 0 0 "[ . 1]" 2
2 1 9 VAL HB 1 45 PHE QD 4.000 . 5.000 3.855 3.268 4.321 . 0 0 "[ . 1]" 2
3 1 9 VAL MG2 1 45 PHE QD 4.000 . 5.000 3.242 2.054 3.998 . 0 0 "[ . 1]" 2
4 1 9 VAL MG2 1 45 PHE QE 3.500 . 4.000 2.297 1.640 2.930 . 0 0 "[ . 1]" 2
5 1 14 ARG QH 1 38 VAL MG1 4.500 . 5.500 3.790 3.228 4.593 . 0 0 "[ . 1]" 2
6 1 14 ARG QH 1 41 VAL MG1 4.500 . 5.500 4.697 4.160 5.375 . 0 0 "[ . 1]" 2
7 1 15 GLN HA 1 46 TYR QD 4.000 . 5.000 4.175 3.840 4.590 . 0 0 "[ . 1]" 2
8 1 15 GLN QB 1 46 TYR QD 2.700 . 3.200 2.037 1.546 2.643 . 0 0 "[ . 1]" 2
9 1 15 GLN QG 1 46 TYR QD 3.500 . 4.000 3.273 1.627 4.006 0.006 9 0 "[ . 1]" 2
10 1 17 CYS HA 1 46 TYR QD 3.500 . 4.000 3.928 3.609 4.021 0.021 10 0 "[ . 1]" 2
11 1 17 CYS H 1 46 TYR QE 4.500 . 5.500 4.946 4.574 5.389 . 0 0 "[ . 1]" 2
12 1 17 CYS HA 1 46 TYR QE 3.500 . 4.000 2.930 2.705 3.192 . 0 0 "[ . 1]" 2
13 1 17 CYS HB3 1 46 TYR QD 4.000 . 5.000 4.443 4.095 4.852 . 0 0 "[ . 1]" 2
14 1 17 CYS HB2 1 46 TYR QD 3.500 . 4.000 3.052 2.695 3.443 . 0 0 "[ . 1]" 2
15 1 17 CYS HB3 1 46 TYR QE 4.000 . 5.000 4.743 4.402 5.007 0.007 3 0 "[ . 1]" 2
16 1 22 VAL MG2 1 34 PHE QD 4.000 . 5.000 2.604 2.332 2.861 . 0 0 "[ . 1]" 2
17 1 22 VAL MG2 1 34 PHE QE 2.700 . 3.200 2.255 1.511 2.835 . 0 0 "[ . 1]" 2
18 1 27 CYS H 1 34 PHE QD 4.000 . 5.000 4.011 3.637 4.616 . 0 0 "[ . 1]" 2
19 1 27 CYS HB2 1 34 PHE QD 2.700 . 3.200 2.562 1.929 3.192 . 0 0 "[ . 1]" 2
20 1 33 CYS H 1 45 PHE QD 4.500 . 5.500 4.389 3.973 4.724 . 0 0 "[ . 1]" 2
21 1 28 ALA H 1 34 PHE QD 4.500 . 5.500 4.768 4.218 5.385 . 0 0 "[ . 1]" 2
22 1 34 PHE QD 1 43 TRP HE3 4.500 . 5.500 4.743 3.910 5.216 . 0 0 "[ . 1]" 2
23 1 34 PHE QE 1 43 TRP HE3 3.500 . 4.000 2.858 1.836 3.660 . 0 0 "[ . 1]" 2
24 1 34 PHE QD 1 44 CYS HA 4.000 . 5.000 3.760 2.964 4.503 . 0 0 "[ . 1]" 2
25 1 19 PHE QD 1 21 GLY HA2 4.000 . 5.000 2.548 2.323 3.299 . 0 0 "[ . 1]" 2
26 1 19 PHE QD 1 22 VAL H 4.000 . 5.000 2.474 2.092 3.084 . 0 0 "[ . 1]" 2
27 1 19 PHE QE 1 22 VAL H 4.000 . 5.000 2.793 2.244 3.282 . 0 0 "[ . 1]" 2
28 1 19 PHE QE 1 22 VAL HA 2.700 . 3.200 2.681 2.393 2.935 . 0 0 "[ . 1]" 2
29 1 19 PHE QE 1 23 THR H 4.500 . 5.500 4.297 3.534 5.009 . 0 0 "[ . 1]" 2
30 1 34 PHE QD 1 36 ASP H 4.500 . 5.500 3.236 2.775 3.619 . 0 0 "[ . 1]" 2
31 1 34 PHE QE 1 36 ASP HB3 3.500 . 4.000 2.589 1.962 3.354 . 0 0 "[ . 1]" 2
32 1 18 GLY HA3 1 19 PHE QD 3.500 . 4.000 3.875 3.583 3.996 . 0 0 "[ . 1]" 2
33 1 19 PHE QD 1 20 PRO HD3 4.000 . 5.000 4.308 3.895 4.479 . 0 0 "[ . 1]" 2
34 1 19 PHE QD 1 20 PRO HD2 4.000 . 5.000 2.873 2.364 3.146 . 0 0 "[ . 1]" 2
35 1 34 PHE QD 1 35 ASP H 4.000 . 5.000 3.646 3.271 3.942 . 0 0 "[ . 1]" 2
36 1 34 PHE QD 1 35 ASP HA 4.000 . 5.000 3.443 2.846 3.705 . 0 0 "[ . 1]" 2
37 1 34 PHE QE 1 35 ASP H 4.000 . 5.000 4.646 4.242 5.005 0.005 6 0 "[ . 1]" 2
38 1 45 PHE HA 1 46 TYR QD 4.000 . 5.000 4.126 3.655 4.604 . 0 0 "[ . 1]" 2
39 1 46 TYR QD 1 47 PRO HD3 3.500 . 4.000 3.817 3.512 4.008 0.008 6 0 "[ . 1]" 2
40 1 46 TYR QD 1 47 PRO HD2 3.500 . 4.000 2.998 2.791 3.365 . 0 0 "[ . 1]" 2
41 1 19 PHE H 1 19 PHE QE 4.500 . 5.500 3.868 3.738 4.144 . 0 0 "[ . 1]" 2
42 1 19 PHE H 1 19 PHE QD 4.000 . 5.000 2.158 1.970 2.281 . 0 0 "[ . 1]" 2
43 1 19 PHE HA 1 19 PHE QD 3.500 . 4.000 3.715 3.701 3.728 . 0 0 "[ . 1]" 2
44 1 19 PHE HB3 1 19 PHE QD 2.700 . 3.200 2.444 2.387 2.500 . 0 0 "[ . 1]" 2
45 1 19 PHE HB2 1 19 PHE QD 2.700 . 3.200 2.335 2.299 2.383 . 0 0 "[ . 1]" 2
46 1 34 PHE H 1 34 PHE QD 4.000 . 5.000 4.255 4.176 4.306 . 0 0 "[ . 1]" 2
47 1 34 PHE HA 1 34 PHE QD 3.500 . 4.000 2.997 2.853 3.157 . 0 0 "[ . 1]" 2
48 1 34 PHE HB2 1 34 PHE QD 2.300 . 2.800 2.358 2.295 2.417 . 0 0 "[ . 1]" 2
49 1 45 PHE H 1 45 PHE QE 4.500 . 5.500 4.194 4.019 4.348 . 0 0 "[ . 1]" 2
50 1 45 PHE H 1 45 PHE QD 4.500 . 5.500 2.832 2.572 3.134 . 0 0 "[ . 1]" 2
51 1 46 TYR H 1 46 TYR QD 4.000 . 5.000 2.550 2.044 3.180 . 0 0 "[ . 1]" 2
52 1 46 TYR H 1 46 TYR QE 4.500 . 5.500 4.301 4.030 4.544 . 0 0 "[ . 1]" 2
53 1 46 TYR HA 1 46 TYR QD 4.000 . 5.000 2.702 2.177 3.018 . 0 0 "[ . 1]" 2
54 1 46 TYR HB3 1 46 TYR QD 2.700 . 3.200 2.497 2.368 2.717 . 0 0 "[ . 1]" 2
55 1 46 TYR HB2 1 46 TYR QD 2.700 . 3.200 2.344 2.277 2.429 . 0 0 "[ . 1]" 2
56 1 17 CYS H 1 46 TYR QD 4.000 4.000 34.000 5.140 4.636 5.583 . 0 0 "[ . 1]" 2
57 1 30 LYS H 1 46 TYR QE 4.000 4.000 34.000 8.905 8.039 9.558 . 0 0 "[ . 1]" 2
58 1 31 GLY H 1 46 TYR QE 4.000 4.000 34.000 7.979 7.372 8.754 . 0 0 "[ . 1]" 2
59 1 44 CYS H 1 45 PHE QD 4.000 4.000 34.000 4.407 4.225 5.012 . 0 0 "[ . 1]" 2
60 1 5 GLU HA 1 49 THR MG 3.500 . 4.000 3.554 2.794 4.045 0.045 8 0 "[ . 1]" 2
61 1 6 THR MG 1 48 ASN H 4.500 . 5.500 4.446 3.011 4.823 . 0 0 "[ . 1]" 2
62 1 6 THR H 1 50 ILE MD 4.500 . 5.500 5.081 3.902 5.510 0.010 10 0 "[ . 1]" 2
63 1 9 VAL MG1 1 14 ARG H 4.000 . 5.000 3.556 2.691 4.655 . 0 0 "[ . 1]" 2
64 1 9 VAL MG1 1 14 ARG HA 3.500 . 4.000 2.239 1.456 3.293 . 0 0 "[ . 1]" 2
65 1 9 VAL MG1 1 14 ARG HG3 4.000 . 5.000 2.761 2.240 3.656 . 0 0 "[ . 1]" 2
66 1 9 VAL MG1 1 14 ARG HG2 4.000 . 5.000 2.304 1.865 3.102 . 0 0 "[ . 1]" 2
67 1 9 VAL MG1 1 14 ARG HE 4.500 . 5.500 3.513 3.030 3.956 . 0 0 "[ . 1]" 2
68 1 9 VAL MG2 1 14 ARG HE 4.000 . 5.000 4.771 4.626 5.018 0.018 6 0 "[ . 1]" 2
69 1 9 VAL MG1 1 15 GLN H 4.500 . 5.500 3.604 2.535 4.495 . 0 0 "[ . 1]" 2
70 1 9 VAL MG2 1 45 PHE HZ 4.000 . 5.000 3.664 2.982 4.392 . 0 0 "[ . 1]" 2
71 1 9 VAL MG2 1 47 PRO HA 4.000 . 5.000 3.826 3.302 4.113 . 0 0 "[ . 1]" 2
72 1 9 VAL MG2 1 48 ASN H 4.000 . 5.000 4.441 3.557 4.923 . 0 0 "[ . 1]" 2
73 1 9 VAL MG2 1 48 ASN HA 4.500 . 5.500 4.544 3.636 5.223 . 0 0 "[ . 1]" 2
74 1 9 VAL MG1 1 48 ASN QD 4.500 . 5.500 3.472 3.172 3.801 . 0 0 "[ . 1]" 2
75 1 9 VAL MG2 1 48 ASN QD 4.500 . 5.500 1.395 1.239 1.603 . 0 0 "[ . 1]" 2
76 1 11 PRO HB3 1 38 VAL MG1 4.000 . 5.000 2.264 1.453 3.206 . 0 0 "[ . 1]" 2
77 1 11 PRO HB2 1 41 VAL MG1 4.000 . 5.000 2.742 1.711 3.327 . 0 0 "[ . 1]" 2
78 1 11 PRO HB3 1 38 VAL MG2 4.500 . 5.500 3.330 2.702 4.467 . 0 0 "[ . 1]" 2
79 1 11 PRO HB2 1 41 VAL MG2 4.500 . 5.500 3.247 2.723 4.192 . 0 0 "[ . 1]" 2
80 1 12 ARG H 1 41 VAL MG1 4.500 . 5.500 3.847 3.265 4.178 . 0 0 "[ . 1]" 2
81 1 12 ARG HA 1 41 VAL MG1 4.500 . 5.500 3.173 2.928 3.618 . 0 0 "[ . 1]" 2
82 1 14 ARG HB2 1 41 VAL MG1 4.500 . 5.500 4.871 4.391 5.259 . 0 0 "[ . 1]" 2
83 1 22 VAL MG2 1 34 PHE HA 4.500 . 5.500 4.325 4.078 4.587 . 0 0 "[ . 1]" 2
84 1 22 VAL MG2 1 34 PHE HZ 4.000 . 5.000 4.317 3.637 4.930 . 0 0 "[ . 1]" 2
85 1 22 VAL MG2 1 43 TRP HE3 4.000 . 5.000 3.212 2.963 3.733 . 0 0 "[ . 1]" 2
86 1 22 VAL MG2 1 44 CYS H 4.000 . 5.000 2.345 1.705 3.344 . 0 0 "[ . 1]" 2
87 1 22 VAL MG2 1 44 CYS HA 4.000 . 5.000 3.382 3.123 3.967 . 0 0 "[ . 1]" 2
88 1 22 VAL MG2 1 44 CYS HB3 3.500 . 4.000 1.937 1.635 2.511 . 0 0 "[ . 1]" 2
89 1 22 VAL MG2 1 27 CYS HB3 4.000 . 5.000 4.171 3.690 4.586 . 0 0 "[ . 1]" 2
90 1 7 CYS HA 1 9 VAL MG2 3.500 . 4.000 3.038 2.789 3.207 . 0 0 "[ . 1]" 2
91 1 9 VAL MG1 1 13 GLU H 4.000 . 5.000 3.820 3.405 4.337 . 0 0 "[ . 1]" 2
92 1 9 VAL MG1 1 13 GLU HB2 4.000 . 5.000 2.917 2.155 3.263 . 0 0 "[ . 1]" 2
93 1 10 ALA MB 1 12 ARG H 3.500 . 4.000 3.101 2.612 3.856 . 0 0 "[ . 1]" 2
94 1 10 ALA MB 1 13 GLU H 3.500 . 4.000 2.470 2.180 2.843 . 0 0 "[ . 1]" 2
95 1 10 ALA MB 1 14 ARG H 4.500 . 5.500 4.281 3.594 4.855 . 0 0 "[ . 1]" 2
96 1 10 ALA MB 1 13 GLU HB3 4.000 . 5.000 3.458 2.953 3.970 . 0 0 "[ . 1]" 2
97 1 18 GLY HA2 1 22 VAL MG2 3.500 . 4.000 3.834 3.105 4.015 0.015 2 0 "[ . 1]" 2
98 1 18 GLY H 1 22 VAL MG2 4.000 . 5.000 4.722 4.446 5.003 0.003 7 0 "[ . 1]" 2
99 1 18 GLY H 1 22 VAL MG1 4.500 . 5.500 4.126 3.529 4.926 . 0 0 "[ . 1]" 2
100 1 19 PHE H 1 22 VAL MG2 4.000 . 5.000 3.734 3.470 4.227 . 0 0 "[ . 1]" 2
101 1 23 THR MG 1 25 SER H 4.500 . 5.500 4.457 4.345 4.640 . 0 0 "[ . 1]" 2
102 1 23 THR MG 1 26 GLN H 4.500 . 5.500 4.166 4.048 4.261 . 0 0 "[ . 1]" 2
103 1 23 THR MG 1 26 GLN QE 4.500 . 5.500 2.862 1.559 5.242 . 0 0 "[ . 1]" 2
104 1 26 GLN H 1 28 ALA MB 4.500 . 5.500 4.922 4.704 5.143 . 0 0 "[ . 1]" 2
105 1 28 ALA MB 1 32 CYS H 4.500 . 5.500 4.674 4.303 5.240 . 0 0 "[ . 1]" 2
106 1 38 VAL H 1 41 VAL MG2 4.500 . 5.500 4.034 3.484 4.240 . 0 0 "[ . 1]" 2
107 1 38 VAL HB 1 41 VAL MG2 3.500 . 4.000 2.410 1.985 2.709 . 0 0 "[ . 1]" 2
108 1 38 VAL MG1 1 41 VAL MG2 4.000 . 5.000 1.839 1.487 2.271 . 0 0 "[ . 1]" 2
109 1 38 VAL MG1 1 41 VAL H 4.000 . 5.000 3.109 2.818 3.311 . 0 0 "[ . 1]" 2
110 1 39 ARG H 1 41 VAL MG2 4.500 . 5.500 4.180 3.918 4.510 . 0 0 "[ . 1]" 2
111 1 41 VAL MG2 1 43 TRP HA 4.500 . 5.500 3.920 3.811 4.194 . 0 0 "[ . 1]" 2
112 1 41 VAL MG2 1 43 TRP HE1 4.500 . 5.500 4.050 3.288 4.393 . 0 0 "[ . 1]" 2
113 1 2 ALA MB 1 3 GLN H 4.000 . 5.000 3.395 1.718 3.707 . 0 0 "[ . 1]" 2
114 1 3 GLN QG 1 4 THR H 4.500 . 5.500 4.243 3.746 4.885 . 0 0 "[ . 1]" 2
115 1 3 GLN H 1 4 THR MG 4.000 . 5.000 3.525 2.672 4.716 . 0 0 "[ . 1]" 2
116 1 4 THR MG 1 5 GLU H 4.000 . 5.000 3.771 3.450 3.945 . 0 0 "[ . 1]" 2
117 1 6 THR MG 1 7 CYS H 4.000 . 5.000 1.893 1.366 3.488 . 0 0 "[ . 1]" 2
118 1 6 THR MG 1 7 CYS HA 4.500 . 5.500 3.464 3.263 3.863 . 0 0 "[ . 1]" 2
119 1 8 THR H 1 9 VAL MG2 4.500 . 5.500 3.699 3.412 3.834 . 0 0 "[ . 1]" 2
120 1 8 THR MG 1 9 VAL H 4.500 . 5.500 4.050 3.912 4.165 . 0 0 "[ . 1]" 2
121 1 9 VAL MG1 1 10 ALA H 3.500 . 4.000 1.750 1.371 2.735 . 0 0 "[ . 1]" 2
122 1 9 VAL MG2 1 10 ALA H 4.000 . 5.000 3.744 3.628 4.078 . 0 0 "[ . 1]" 2
123 1 10 ALA MB 1 11 PRO HA 4.000 . 5.000 4.688 4.637 4.743 . 0 0 "[ . 1]" 2
124 1 21 GLY H 1 22 VAL MG2 4.000 . 5.000 4.120 3.814 4.640 . 0 0 "[ . 1]" 2
125 1 22 VAL MG2 1 23 THR H 4.500 . 5.500 3.592 3.168 4.025 . 0 0 "[ . 1]" 2
126 1 22 VAL MG2 1 23 THR HA 4.000 . 5.000 3.801 3.518 4.015 . 0 0 "[ . 1]" 2
127 1 37 THR MG 1 38 VAL H 4.500 . 5.500 4.053 3.923 4.154 . 0 0 "[ . 1]" 2
128 1 37 THR H 1 38 VAL MG2 4.500 . 5.500 3.861 3.520 4.274 . 0 0 "[ . 1]" 2
129 1 38 VAL MG1 1 39 ARG H 2.700 . 3.200 2.960 2.677 3.205 0.005 6 0 "[ . 1]" 2
130 1 38 VAL MG2 1 39 ARG H 4.000 . 5.000 4.124 4.033 4.205 . 0 0 "[ . 1]" 2
131 1 41 VAL MG1 1 42 PRO HD3 4.000 . 5.000 3.735 3.639 3.834 . 0 0 "[ . 1]" 2
132 1 41 VAL MG2 1 42 PRO HD3 4.000 . 5.000 4.217 4.106 4.356 . 0 0 "[ . 1]" 2
133 1 49 THR HA 1 50 ILE QG 4.000 . 5.000 3.809 3.250 4.108 . 0 0 "[ . 1]" 2
134 1 49 THR MG 1 50 ILE H 4.000 . 5.000 3.558 2.405 4.290 . 0 0 "[ . 1]" 2
135 1 50 ILE MG 1 51 ASP H 4.000 . 5.000 2.100 1.731 2.538 . 0 0 "[ . 1]" 2
136 1 3 GLN QG 1 51 ASP HA 4.000 . 5.000 3.487 2.300 4.387 . 0 0 "[ . 1]" 2
137 1 6 THR H 1 48 ASN QB 4.000 . 5.000 2.923 1.357 3.873 . 0 0 "[ . 1]" 2
138 1 6 THR HA 1 48 ASN QD 4.500 . 5.500 4.693 3.116 5.404 . 0 0 "[ . 1]" 2
139 1 8 THR HA 1 48 ASN QD 4.500 . 5.500 5.064 3.949 5.508 0.008 3 0 "[ . 1]" 2
140 1 8 THR H 1 48 ASN QD 4.500 . 5.500 3.501 1.925 4.405 . 0 0 "[ . 1]" 2
141 1 9 VAL MG2 1 48 ASN QB 4.500 . 5.500 3.301 1.554 4.061 . 0 0 "[ . 1]" 2
142 1 9 VAL HA 1 48 ASN QD 4.500 . 5.500 3.634 2.763 4.381 . 0 0 "[ . 1]" 2
143 1 10 ALA H 1 48 ASN QD 4.500 . 5.500 5.302 4.589 5.510 0.010 8 0 "[ . 1]" 2
144 1 14 ARG HB3 1 42 PRO QG 3.500 . 4.000 3.517 2.951 3.859 . 0 0 "[ . 1]" 2
145 1 14 ARG HB2 1 42 PRO QG 3.500 . 4.000 2.972 2.455 3.699 . 0 0 "[ . 1]" 2
146 1 14 ARG HD3 1 42 PRO QG 4.000 . 5.000 4.397 3.738 4.932 . 0 0 "[ . 1]" 2
147 1 14 ARG HD2 1 42 PRO QG 4.000 . 5.000 3.949 3.352 4.758 . 0 0 "[ . 1]" 2
148 1 14 ARG QH1 1 35 ASP HB2 4.500 . 5.500 3.613 2.203 4.703 . 0 0 "[ . 1]" 2
149 1 15 GLN QB 1 46 TYR H 3.500 . 4.000 3.056 2.648 3.721 . 0 0 "[ . 1]" 2
150 1 16 ASN H 1 42 PRO QG 4.500 . 5.500 3.158 2.665 3.730 . 0 0 "[ . 1]" 2
151 1 16 ASN QD 1 43 TRP H 4.500 . 5.500 5.275 4.342 5.507 0.007 3 0 "[ . 1]" 2
152 1 18 GLY QA 1 44 CYS HB3 3.500 . 4.000 2.899 1.904 3.374 . 0 0 "[ . 1]" 2
153 1 24 PRO QG 1 34 PHE HZ 4.500 . 5.500 4.080 3.451 4.941 . 0 0 "[ . 1]" 2
154 1 32 CYS HA 1 47 PRO QD 4.000 . 5.000 2.235 1.410 3.602 . 0 0 "[ . 1]" 2
155 1 33 CYS H 1 47 PRO QD 4.000 . 5.000 3.208 2.320 3.986 . 0 0 "[ . 1]" 2
156 1 10 ALA MB 1 12 ARG QG 4.500 . 5.500 3.551 2.224 4.853 . 0 0 "[ . 1]" 2
157 1 13 GLU HA 1 15 GLN QE 4.500 . 5.500 4.503 3.276 5.517 0.017 6 0 "[ . 1]" 2
158 1 16 ASN QD 1 18 GLY H 4.000 . 5.000 2.864 1.595 3.592 . 0 0 "[ . 1]" 2
159 1 16 ASN QD 1 19 PHE HA 4.000 . 5.000 3.223 2.679 3.676 . 0 0 "[ . 1]" 2
160 1 22 VAL H 1 26 GLN QB 4.500 . 5.500 5.264 4.748 5.507 0.007 8 0 "[ . 1]" 2
161 1 23 THR H 1 26 GLN QG 3.500 . 4.000 3.221 2.439 3.777 . 0 0 "[ . 1]" 2
162 1 23 THR HG1 1 26 GLN QG 3.500 . 4.000 1.923 1.496 2.141 . 0 0 "[ . 1]" 2
163 1 25 SER HA 1 28 ALA MB 3.500 . 4.000 2.710 2.541 2.875 . 0 0 "[ . 1]" 2
164 1 25 SER QB 1 29 ASN H 4.500 . 5.500 4.933 4.588 5.440 . 0 0 "[ . 1]" 2
165 1 26 GLN HA 1 29 ASN HD22 4.500 . 5.500 5.462 5.310 5.505 0.005 9 0 "[ . 1]" 2
166 1 26 GLN HA 1 29 ASN QB 4.000 . 5.000 2.811 2.425 2.940 . 0 0 "[ . 1]" 2
167 1 28 ALA H 1 30 LYS QB 4.500 . 5.500 5.335 5.167 5.476 . 0 0 "[ . 1]" 2
168 1 29 ASN QB 1 31 GLY H 4.500 . 5.500 4.872 4.692 5.281 . 0 0 "[ . 1]" 2
169 1 30 LYS QG 1 32 CYS H 4.500 . 5.500 4.577 3.393 5.190 . 0 0 "[ . 1]" 2
170 1 39 ARG QB 1 43 TRP HE1 4.500 . 5.500 4.004 2.991 4.673 . 0 0 "[ . 1]" 2
171 1 39 ARG QG 1 43 TRP HZ2 4.000 . 5.000 3.520 2.681 4.961 . 0 0 "[ . 1]" 2
172 1 39 ARG QD 1 43 TRP HZ2 4.000 . 5.000 4.617 4.047 5.005 0.005 6 0 "[ . 1]" 2
173 1 42 PRO QG 1 45 PHE HB3 4.000 . 5.000 3.331 2.919 3.808 . 0 0 "[ . 1]" 2
174 1 48 ASN QB 1 50 ILE H 4.500 . 5.500 4.749 3.750 5.586 0.086 8 0 "[ . 1]" 2
175 1 1 GLU QB 1 2 ALA H 4.500 . 5.500 3.289 1.693 4.020 . 0 0 "[ . 1]" 2
176 1 5 GLU QG 1 6 THR H 4.500 . 5.500 4.140 3.847 4.487 . 0 0 "[ . 1]" 2
177 1 10 ALA H 1 11 PRO QD 4.500 . 5.500 4.264 4.105 4.367 . 0 0 "[ . 1]" 2
178 1 10 ALA MB 1 11 PRO QD 4.000 . 5.000 2.700 2.408 3.047 . 0 0 "[ . 1]" 2
179 1 10 ALA HA 1 11 PRO QD 2.300 . 2.800 1.945 1.919 1.976 . 0 0 "[ . 1]" 2
180 1 11 PRO QB 1 12 ARG H 3.500 . 4.000 2.382 1.687 2.955 . 0 0 "[ . 1]" 2
181 1 11 PRO QG 1 12 ARG H 4.000 . 5.000 3.799 3.493 4.078 . 0 0 "[ . 1]" 2
182 1 11 PRO QD 1 12 ARG H 3.500 . 4.000 3.118 2.952 3.302 . 0 0 "[ . 1]" 2
183 1 15 GLN QB 1 16 ASN H 4.500 . 5.500 3.767 3.573 4.010 . 0 0 "[ . 1]" 2
184 1 15 GLN QG 1 16 ASN H 4.500 . 5.500 4.574 3.820 4.909 . 0 0 "[ . 1]" 2
185 1 17 CYS H 1 18 GLY QA 4.500 . 5.500 3.817 3.730 3.930 . 0 0 "[ . 1]" 2
186 1 20 PRO QD 1 21 GLY H 4.500 . 5.500 2.720 2.549 2.934 . 0 0 "[ . 1]" 2
187 1 23 THR HA 1 24 PRO QB 4.500 . 5.500 4.879 4.764 4.979 . 0 0 "[ . 1]" 2
188 1 23 THR HA 1 24 PRO QD 3.500 . 4.000 2.197 2.028 2.379 . 0 0 "[ . 1]" 2
189 1 23 THR MG 1 24 PRO QG 4.500 . 5.500 4.515 4.273 4.696 . 0 0 "[ . 1]" 2
190 1 23 THR HB 1 24 PRO QD 3.500 . 4.000 1.542 1.259 1.894 . 0 0 "[ . 1]" 2
191 1 24 PRO QB 1 25 SER H 3.500 . 4.000 2.636 2.300 3.136 . 0 0 "[ . 1]" 2
192 1 25 SER H 1 26 GLN QG 4.000 . 5.000 3.919 3.782 4.053 . 0 0 "[ . 1]" 2
193 1 25 SER QB 1 26 GLN H 3.500 . 4.000 2.923 2.433 3.434 . 0 0 "[ . 1]" 2
194 1 26 GLN QG 1 27 CYS H 4.000 . 5.000 4.038 3.936 4.113 . 0 0 "[ . 1]" 2
195 1 27 CYS H 1 28 ALA MB 4.500 . 5.500 4.203 4.010 4.508 . 0 0 "[ . 1]" 2
196 1 28 ALA MB 1 29 ASN H 2.700 . 3.200 2.882 2.629 3.107 . 0 0 "[ . 1]" 2
197 1 30 LYS QG 1 31 GLY H 4.500 . 5.500 4.028 3.758 4.284 . 0 0 "[ . 1]" 2
198 1 39 ARG HA 1 40 GLY QA 4.500 . 5.500 4.141 4.023 4.229 . 0 0 "[ . 1]" 2
199 1 39 ARG QB 1 40 GLY H 2.700 . 3.200 2.210 1.829 2.969 . 0 0 "[ . 1]" 2
200 1 39 ARG QG 1 40 GLY H 4.500 . 5.500 3.397 1.339 3.934 . 0 0 "[ . 1]" 2
201 1 40 GLY QA 1 41 VAL H 3.500 . 4.000 2.764 2.630 2.863 . 0 0 "[ . 1]" 2
202 1 40 GLY QA 1 41 VAL MG1 4.500 . 5.500 3.437 3.334 3.521 . 0 0 "[ . 1]" 2
203 1 40 GLY QA 1 41 VAL MG2 4.500 . 5.500 4.115 4.070 4.193 . 0 0 "[ . 1]" 2
204 1 47 PRO HB2 1 48 ASN QD 4.500 . 5.500 4.992 4.039 5.511 0.011 10 0 "[ . 1]" 2
205 1 46 TYR H 1 47 PRO QD 4.500 . 5.500 4.352 4.305 4.391 . 0 0 "[ . 1]" 2
206 1 48 ASN QB 1 49 THR H 3.500 . 4.000 3.349 1.907 3.834 . 0 0 "[ . 1]" 2
207 1 52 VAL H 1 53 PRO QD 4.500 . 5.500 2.565 1.123 4.250 . 0 0 "[ . 1]" 2
208 1 52 VAL HA 1 53 PRO QD 2.700 . 3.200 2.408 1.742 3.150 . 0 0 "[ . 1]" 2
209 1 52 VAL MG1 1 53 PRO QD 4.500 . 5.500 3.579 2.313 4.059 . 0 0 "[ . 1]" 2
210 1 52 VAL MG2 1 53 PRO QD 4.500 . 5.500 3.612 2.818 4.092 . 0 0 "[ . 1]" 2
211 1 53 PRO HA 1 54 PRO QD 3.500 . 4.000 2.177 1.770 3.424 . 0 0 "[ . 1]" 2
212 1 3 GLN H 1 3 GLN QG 4.000 . 5.000 3.217 2.811 3.816 . 0 0 "[ . 1]" 2
213 1 3 GLN HA 1 3 GLN QG 3.500 . 4.000 2.599 2.443 3.057 . 0 0 "[ . 1]" 2
214 1 4 THR H 1 4 THR MG 4.000 . 5.000 3.140 2.989 3.262 . 0 0 "[ . 1]" 2
215 1 6 THR H 1 6 THR MG 3.500 . 4.000 3.712 2.386 3.915 . 0 0 "[ . 1]" 2
216 1 8 THR H 1 8 THR MG 3.500 . 4.000 1.948 1.918 1.976 . 0 0 "[ . 1]" 2
217 1 9 VAL H 1 9 VAL MG1 4.500 . 5.500 3.821 3.791 3.875 . 0 0 "[ . 1]" 2
218 1 9 VAL H 1 9 VAL MG2 2.700 . 3.200 2.498 2.327 2.786 . 0 0 "[ . 1]" 2
219 1 12 ARG H 1 12 ARG QG 2.700 . 3.200 2.188 1.962 2.458 . 0 0 "[ . 1]" 2
220 1 12 ARG H 1 12 ARG QD 4.500 . 5.500 3.681 3.124 4.156 . 0 0 "[ . 1]" 2
221 1 15 GLN H 1 15 GLN QG 4.000 . 5.000 3.024 2.240 4.017 . 0 0 "[ . 1]" 2
222 1 15 GLN QB 1 15 GLN HE22 4.500 . 5.500 3.954 3.385 4.422 . 0 0 "[ . 1]" 2
223 1 16 ASN H 1 16 ASN QD 4.500 . 5.500 4.385 4.097 4.667 . 0 0 "[ . 1]" 2
224 1 22 VAL H 1 22 VAL MG2 3.500 . 4.000 2.259 2.024 2.451 . 0 0 "[ . 1]" 2
225 1 23 THR H 1 23 THR MG 3.500 . 4.000 2.815 2.572 3.039 . 0 0 "[ . 1]" 2
226 1 25 SER H 1 25 SER QB 2.700 . 3.200 2.465 2.281 2.669 . 0 0 "[ . 1]" 2
227 1 26 GLN H 1 26 GLN QG 2.700 . 3.200 2.157 2.095 2.241 . 0 0 "[ . 1]" 2
228 1 28 ALA H 1 28 ALA MB 2.700 . 3.200 2.236 2.231 2.265 . 0 0 "[ . 1]" 2
229 1 29 ASN H 1 29 ASN QD 4.500 . 5.500 4.422 4.200 4.563 . 0 0 "[ . 1]" 2
230 1 30 LYS H 1 30 LYS QB 2.700 . 3.200 2.396 2.315 2.503 . 0 0 "[ . 1]" 2
231 1 30 LYS H 1 30 LYS QG 4.000 . 5.000 3.459 2.479 4.161 . 0 0 "[ . 1]" 2
232 1 37 THR H 1 37 THR MG 2.700 . 3.200 2.487 2.012 2.734 . 0 0 "[ . 1]" 2
233 1 38 VAL H 1 38 VAL MG1 4.000 . 5.000 3.870 3.809 3.930 . 0 0 "[ . 1]" 2
234 1 38 VAL H 1 38 VAL MG2 2.700 . 3.200 2.749 2.464 2.988 . 0 0 "[ . 1]" 2
235 1 39 ARG H 1 39 ARG QB 2.700 . 3.200 2.448 2.271 2.590 . 0 0 "[ . 1]" 2
236 1 39 ARG H 1 39 ARG QG 3.500 . 4.000 2.604 1.966 3.979 . 0 0 "[ . 1]" 2
237 1 41 VAL H 1 41 VAL MG1 2.700 . 3.200 2.571 2.426 2.762 . 0 0 "[ . 1]" 2
238 1 41 VAL H 1 41 VAL MG2 2.700 . 3.200 2.010 1.964 2.104 . 0 0 "[ . 1]" 2
239 1 48 ASN H 1 48 ASN QB 3.500 . 4.000 2.776 2.519 3.110 . 0 0 "[ . 1]" 2
240 1 49 THR H 1 49 THR MG 3.500 . 4.000 3.080 1.988 3.787 . 0 0 "[ . 1]" 2
241 1 52 VAL H 1 52 VAL MG2 2.700 . 3.200 2.471 1.978 3.092 . 0 0 "[ . 1]" 2
242 1 3 GLN HA 1 51 ASP HA 4.000 . 5.000 2.924 1.977 4.107 . 0 0 "[ . 1]" 2
243 1 3 GLN HA 1 51 ASP H 4.500 . 5.500 4.516 1.788 5.122 . 0 0 "[ . 1]" 2
244 1 3 GLN HA 1 52 VAL H 4.500 . 5.500 4.596 3.902 5.251 . 0 0 "[ . 1]" 2
245 1 4 THR H 1 50 ILE H 4.500 . 5.500 3.261 2.632 5.529 0.029 8 0 "[ . 1]" 2
246 1 4 THR H 1 50 ILE HA 4.000 . 5.000 4.577 2.667 5.066 0.066 10 0 "[ . 1]" 2
247 1 4 THR H 1 50 ILE HG13 4.500 . 5.500 5.416 4.649 5.544 0.044 10 0 "[ . 1]" 2
248 1 5 GLU HA 1 49 THR HA 3.500 . 4.000 2.466 1.789 3.994 . 0 0 "[ . 1]" 2
249 1 5 GLU HA 1 50 ILE H 4.500 . 5.500 3.584 2.847 4.467 . 0 0 "[ . 1]" 2
250 1 6 THR H 1 48 ASN H 3.500 . 4.000 2.174 1.397 3.187 . 0 0 "[ . 1]" 2
251 1 6 THR HA 1 48 ASN H 4.500 . 5.500 4.384 3.978 4.939 . 0 0 "[ . 1]" 2
252 1 6 THR HB 1 48 ASN H 4.000 . 5.000 3.938 3.040 5.000 . 5 0 "[ . 1]" 2
253 1 7 CYS H 1 48 ASN H 4.500 . 5.500 5.062 4.886 5.260 . 0 0 "[ . 1]" 2
254 1 7 CYS HA 1 33 CYS HB3 4.000 . 5.000 3.657 3.306 4.255 . 0 0 "[ . 1]" 2
255 1 7 CYS HA 1 45 PHE HZ 4.000 . 5.000 3.644 3.112 4.248 . 0 0 "[ . 1]" 2
256 1 7 CYS HB3 1 45 PHE HZ 3.500 . 4.000 3.102 2.038 3.776 . 0 0 "[ . 1]" 2
257 1 7 CYS HA 1 47 PRO HA 3.500 . 4.000 3.068 2.537 3.527 . 0 0 "[ . 1]" 2
258 1 7 CYS HA 1 47 PRO HB3 4.000 . 5.000 4.359 3.676 5.002 0.002 4 0 "[ . 1]" 2
259 1 7 CYS HA 1 48 ASN H 4.000 . 5.000 4.156 3.433 4.560 . 0 0 "[ . 1]" 2
260 1 7 CYS HB3 1 34 PHE H 4.500 . 5.500 4.345 3.881 4.788 . 0 0 "[ . 1]" 2
261 1 7 CYS HB2 1 34 PHE H 4.500 . 5.500 5.389 4.880 5.522 0.022 1 0 "[ . 1]" 2
262 1 9 VAL H 1 14 ARG HG2 4.500 . 5.500 4.319 3.638 4.852 . 0 0 "[ . 1]" 2
263 1 9 VAL H 1 14 ARG HE 4.500 . 5.500 3.936 3.425 4.458 . 0 0 "[ . 1]" 2
264 1 9 VAL HB 1 14 ARG HG2 4.000 . 5.000 2.185 1.666 2.816 . 0 0 "[ . 1]" 2
265 1 9 VAL HB 1 45 PHE HZ 4.500 . 5.500 3.457 2.575 4.664 . 0 0 "[ . 1]" 2
266 1 14 ARG HB3 1 42 PRO HD2 4.500 . 5.500 5.051 4.535 5.406 . 0 0 "[ . 1]" 2
267 1 14 ARG HB2 1 42 PRO HD2 3.500 . 4.000 3.754 3.191 4.005 0.005 3 0 "[ . 1]" 2
268 1 14 ARG HB3 1 45 PHE HA 4.500 . 5.500 4.766 4.402 4.995 . 0 0 "[ . 1]" 2
269 1 14 ARG HB3 1 46 TYR H 4.500 . 5.500 4.997 4.546 5.497 . 0 0 "[ . 1]" 2
270 1 15 GLN H 1 45 PHE HA 4.500 . 5.500 4.958 4.591 5.346 . 0 0 "[ . 1]" 2
271 1 15 GLN H 1 45 PHE HB2 4.000 . 5.000 2.854 2.639 3.248 . 0 0 "[ . 1]" 2
272 1 15 GLN H 1 46 TYR H 4.000 . 5.000 3.749 3.328 4.180 . 0 0 "[ . 1]" 2
273 1 15 GLN H 1 46 TYR HB2 4.500 . 5.500 4.239 3.803 4.611 . 0 0 "[ . 1]" 2
274 1 15 GLN HA 1 46 TYR H 4.500 . 5.500 4.898 4.446 5.360 . 0 0 "[ . 1]" 2
275 1 16 ASN H 1 45 PHE HA 4.500 . 5.500 4.524 4.072 4.947 . 0 0 "[ . 1]" 2
276 1 16 ASN HA 1 45 PHE HA 3.500 . 4.000 2.696 2.248 3.175 . 0 0 "[ . 1]" 2
277 1 17 CYS H 1 42 PRO HB3 4.500 . 5.500 4.812 4.418 5.360 . 0 0 "[ . 1]" 2
278 1 17 CYS H 1 42 PRO HB2 4.000 . 5.000 3.846 3.386 4.370 . 0 0 "[ . 1]" 2
279 1 17 CYS H 1 45 PHE HA 2.700 . 3.200 2.421 1.896 2.984 . 0 0 "[ . 1]" 2
280 1 17 CYS HA 1 45 PHE HA 3.500 . 4.000 3.811 3.536 4.003 0.003 8 0 "[ . 1]" 2
281 1 17 CYS H 1 45 PHE HB2 4.000 . 5.000 4.572 3.841 5.005 0.005 4 0 "[ . 1]" 2
282 1 17 CYS H 1 46 TYR H 4.500 . 5.500 4.501 4.210 4.893 . 0 0 "[ . 1]" 2
283 1 17 CYS HB2 1 33 CYS H 4.500 . 5.500 4.778 4.174 5.300 . 0 0 "[ . 1]" 2
284 1 17 CYS HB2 1 45 PHE H 4.500 . 5.500 4.308 3.888 4.828 . 0 0 "[ . 1]" 2
285 1 17 CYS HB2 1 45 PHE HA 2.700 . 3.200 2.453 2.251 2.789 . 0 0 "[ . 1]" 2
286 1 17 CYS HA 1 46 TYR H 4.000 . 5.000 4.478 4.027 4.860 . 0 0 "[ . 1]" 2
287 1 17 CYS HB2 1 46 TYR H 3.500 . 4.000 2.610 1.988 3.254 . 0 0 "[ . 1]" 2
288 1 18 GLY HA2 1 44 CYS H 4.500 . 5.500 5.233 4.361 5.509 0.009 8 0 "[ . 1]" 2
289 1 18 GLY H 1 42 PRO HB2 4.500 . 5.500 4.564 3.944 5.058 . 0 0 "[ . 1]" 2
290 1 18 GLY H 1 44 CYS H 4.500 . 5.500 4.839 4.308 5.105 . 0 0 "[ . 1]" 2
291 1 18 GLY H 1 45 PHE HA 4.000 . 5.000 4.071 3.226 4.624 . 0 0 "[ . 1]" 2
292 1 18 GLY HA2 1 44 CYS HB3 3.500 . 4.000 2.939 1.915 3.430 . 0 0 "[ . 1]" 2
293 1 19 PHE H 1 44 CYS HB3 4.000 . 5.000 3.891 3.521 4.311 . 0 0 "[ . 1]" 2
294 1 19 PHE HZ 1 26 GLN HB3 4.500 . 5.500 3.537 1.504 5.345 . 0 0 "[ . 1]" 2
295 1 19 PHE HZ 1 26 GLN HE22 4.000 . 5.000 2.725 1.331 4.455 . 0 0 "[ . 1]" 2
296 1 19 PHE HZ 1 26 GLN HE21 4.000 . 5.000 3.238 2.244 4.339 . 0 0 "[ . 1]" 2
297 1 22 VAL H 1 44 CYS HB3 4.500 . 5.500 5.124 4.617 5.461 . 0 0 "[ . 1]" 2
298 1 24 PRO HD3 1 34 PHE HZ 4.000 . 5.000 2.862 2.217 3.289 . 0 0 "[ . 1]" 2
299 1 27 CYS HB3 1 34 PHE H 4.500 . 5.500 4.939 4.480 5.399 . 0 0 "[ . 1]" 2
300 1 27 CYS H 1 44 CYS HB2 4.500 . 5.500 4.987 4.818 5.316 . 0 0 "[ . 1]" 2
301 1 28 ALA H 1 34 PHE HB2 4.500 . 5.500 3.904 3.332 4.436 . 0 0 "[ . 1]" 2
302 1 32 CYS HA 1 45 PHE H 4.500 . 5.500 5.268 4.952 5.511 0.011 10 0 "[ . 1]" 2
303 1 32 CYS HA 1 46 TYR HA 3.500 . 4.000 3.185 2.643 3.635 . 0 0 "[ . 1]" 2
304 1 33 CYS H 1 44 CYS HA 4.500 . 5.500 4.630 3.592 5.268 . 0 0 "[ . 1]" 2
305 1 33 CYS H 1 45 PHE H 3.500 . 4.000 3.295 2.581 3.901 . 0 0 "[ . 1]" 2
306 1 33 CYS HB2 1 45 PHE H 4.000 . 5.000 3.427 2.905 3.940 . 0 0 "[ . 1]" 2
307 1 33 CYS HB3 1 45 PHE H 4.500 . 5.500 4.649 4.185 5.063 . 0 0 "[ . 1]" 2
308 1 33 CYS HB3 1 45 PHE HZ 3.500 . 4.000 3.551 2.416 4.001 0.001 7 0 "[ . 1]" 2
309 1 33 CYS HB2 1 45 PHE HZ 3.500 . 4.000 3.564 2.864 4.007 0.007 5 0 "[ . 1]" 2
310 1 33 CYS HB2 1 46 TYR HA 4.500 . 5.500 4.950 4.246 5.460 . 0 0 "[ . 1]" 2
311 1 34 PHE H 1 44 CYS HA 4.500 . 5.500 4.833 4.550 5.160 . 0 0 "[ . 1]" 2
312 1 34 PHE H 1 45 PHE H 4.500 . 5.500 5.068 4.852 5.273 . 0 0 "[ . 1]" 2
313 1 34 PHE HA 1 45 PHE H 4.000 . 5.000 3.796 3.529 4.254 . 0 0 "[ . 1]" 2
314 1 34 PHE HA 1 44 CYS HA 2.300 . 2.800 2.575 2.366 2.723 . 0 0 "[ . 1]" 2
315 1 34 PHE HA 1 43 TRP HA 4.500 . 5.500 4.677 4.271 4.941 . 0 0 "[ . 1]" 2
316 1 34 PHE HZ 1 43 TRP HE3 2.700 . 3.200 3.018 2.573 3.207 0.007 6 0 "[ . 1]" 2
317 1 34 PHE HZ 1 43 TRP HB3 4.000 . 5.000 4.016 3.270 4.484 . 0 0 "[ . 1]" 2
318 1 34 PHE HZ 1 43 TRP HB2 4.000 . 5.000 4.577 3.695 5.010 0.010 7 0 "[ . 1]" 2
319 1 34 PHE HB3 1 44 CYS HA 4.500 . 5.500 5.278 5.097 5.504 0.004 4 0 "[ . 1]" 2
320 1 35 ASP H 1 44 CYS HA 4.000 . 5.000 3.758 3.461 4.062 . 0 0 "[ . 1]" 2
321 1 35 ASP H 1 43 TRP HA 3.500 . 4.000 3.193 2.984 3.388 . 0 0 "[ . 1]" 2
322 1 35 ASP H 1 43 TRP HB3 4.000 . 5.000 2.948 2.523 3.334 . 0 0 "[ . 1]" 2
323 1 35 ASP H 1 43 TRP HD1 4.500 . 5.500 5.031 4.645 5.388 . 0 0 "[ . 1]" 2
324 1 35 ASP H 1 45 PHE H 4.000 . 5.000 4.770 4.481 4.957 . 0 0 "[ . 1]" 2
325 1 35 ASP HB2 1 45 PHE HZ 3.500 . 4.000 3.653 3.291 4.002 0.002 2 0 "[ . 1]" 2
326 1 36 ASP HA 1 43 TRP HE3 4.000 . 5.000 4.430 3.737 4.821 . 0 0 "[ . 1]" 2
327 1 36 ASP HB2 1 43 TRP HE3 4.000 . 5.000 4.125 2.976 5.001 0.001 9 0 "[ . 1]" 2
328 1 36 ASP HA 1 43 TRP HE1 4.000 . 5.000 3.630 3.101 4.144 . 0 0 "[ . 1]" 2
329 1 37 THR H 1 43 TRP HD1 4.500 . 5.500 4.718 4.242 5.414 . 0 0 "[ . 1]" 2
330 1 4 THR H 1 50 ILE HB 4.000 4.000 34.000 4.209 3.923 4.580 0.077 10 0 "[ . 1]" 2
331 1 5 GLU H 1 50 ILE HB 4.000 4.000 34.000 6.464 4.602 7.030 . 0 0 "[ . 1]" 2
332 1 7 CYS H 1 48 ASN HA 4.000 4.000 34.000 7.345 6.924 7.607 . 0 0 "[ . 1]" 2
333 1 17 CYS H 1 44 CYS H 4.000 4.000 34.000 4.618 4.250 4.763 . 0 0 "[ . 1]" 2
334 1 6 THR HA 1 8 THR H 4.000 . 5.000 3.989 3.757 4.185 . 0 0 "[ . 1]" 2
335 1 7 CYS HA 1 9 VAL H 4.500 . 5.500 4.010 3.574 4.779 . 0 0 "[ . 1]" 2
336 1 7 CYS HB3 1 9 VAL H 4.500 . 5.500 4.617 4.137 4.990 . 0 0 "[ . 1]" 2
337 1 7 CYS HB2 1 9 VAL H 4.500 . 5.500 5.209 4.812 5.505 0.005 4 0 "[ . 1]" 2
338 1 10 ALA HA 1 12 ARG H 4.500 . 5.500 4.208 3.584 4.925 . 0 0 "[ . 1]" 2
339 1 10 ALA H 1 13 GLU H 4.500 . 5.500 4.258 3.742 4.829 . 0 0 "[ . 1]" 2
340 1 10 ALA H 1 13 GLU HB3 4.000 . 5.000 4.427 3.391 4.990 . 0 0 "[ . 1]" 2
341 1 10 ALA H 1 13 GLU HB2 4.000 . 5.000 3.052 1.986 3.543 . 0 0 "[ . 1]" 2
342 1 11 PRO HA 1 13 GLU H 4.500 . 5.500 4.356 3.997 4.615 . 0 0 "[ . 1]" 2
343 1 11 PRO HA 1 14 ARG H 4.500 . 5.500 4.034 3.011 4.561 . 0 0 "[ . 1]" 2
344 1 11 PRO HA 1 14 ARG HD2 2.700 . 3.200 1.866 1.473 2.574 . 0 0 "[ . 1]" 2
345 1 11 PRO HA 1 14 ARG HE 4.000 . 5.000 2.757 2.291 3.351 . 0 0 "[ . 1]" 2
346 1 12 ARG H 1 14 ARG H 4.500 . 5.500 4.104 3.450 4.606 . 0 0 "[ . 1]" 2
347 1 12 ARG HA 1 14 ARG H 4.500 . 5.500 3.860 3.445 4.366 . 0 0 "[ . 1]" 2
348 1 19 PHE H 1 22 VAL H 4.000 . 5.000 4.097 3.501 5.005 0.005 7 0 "[ . 1]" 2
349 1 19 PHE HB3 1 22 VAL H 4.500 . 5.500 4.898 4.519 5.503 0.003 9 0 "[ . 1]" 2
350 1 22 VAL HB 1 27 CYS H 3.500 . 4.000 3.742 3.237 4.003 0.003 2 0 "[ . 1]" 2
351 1 22 VAL HB 1 26 GLN H 4.500 . 5.500 5.337 4.763 5.508 0.008 2 0 "[ . 1]" 2
352 1 23 THR H 1 26 GLN H 4.000 . 5.000 3.365 3.068 3.494 . 0 0 "[ . 1]" 2
353 1 23 THR H 1 26 GLN HB2 2.700 . 3.200 1.693 1.275 2.076 . 0 0 "[ . 1]" 2
354 1 23 THR H 1 26 GLN HB3 3.500 . 4.000 3.222 2.778 3.484 . 0 0 "[ . 1]" 2
355 1 23 THR H 1 27 CYS H 3.500 . 4.000 3.221 2.902 3.645 . 0 0 "[ . 1]" 2
356 1 23 THR H 1 27 CYS HB2 4.000 . 5.000 3.876 3.007 4.837 . 0 0 "[ . 1]" 2
357 1 23 THR HG1 1 26 GLN H 4.500 . 5.500 2.044 1.424 2.917 . 0 0 "[ . 1]" 2
358 1 25 SER H 1 27 CYS H 4.000 . 5.000 3.955 3.714 4.357 . 0 0 "[ . 1]" 2
359 1 25 SER H 1 28 ALA H 4.500 . 5.500 4.610 4.282 4.908 . 0 0 "[ . 1]" 2
360 1 25 SER HA 1 28 ALA H 3.500 . 4.000 3.717 3.463 3.980 . 0 0 "[ . 1]" 2
361 1 25 SER HA 1 29 ASN H 4.000 . 5.000 3.819 3.417 4.135 . 0 0 "[ . 1]" 2
362 1 26 GLN H 1 28 ALA H 4.500 . 5.500 4.280 3.991 4.583 . 0 0 "[ . 1]" 2
363 1 26 GLN HA 1 29 ASN H 3.500 . 4.000 3.853 3.484 4.002 0.002 4 0 "[ . 1]" 2
364 1 26 GLN HA 1 30 LYS H 4.500 . 5.500 5.223 4.877 5.497 . 0 0 "[ . 1]" 2
365 1 27 CYS HA 1 30 LYS H 4.000 . 5.000 3.649 3.248 3.956 . 0 0 "[ . 1]" 2
366 1 27 CYS HA 1 31 GLY H 4.500 . 5.500 4.789 4.171 5.109 . 0 0 "[ . 1]" 2
367 1 27 CYS HA 1 32 CYS H 4.000 . 5.000 4.590 4.005 5.003 0.003 4 0 "[ . 1]" 2
368 1 27 CYS HB3 1 29 ASN H 4.500 . 5.500 4.645 4.435 4.841 . 0 0 "[ . 1]" 2
369 1 28 ALA H 1 30 LYS H 4.500 . 5.500 4.148 4.051 4.251 . 0 0 "[ . 1]" 2
370 1 28 ALA HA 1 30 LYS H 4.500 . 5.500 3.664 3.495 3.912 . 0 0 "[ . 1]" 2
371 1 28 ALA HA 1 31 GLY H 3.500 . 4.000 3.114 2.805 3.654 . 0 0 "[ . 1]" 2
372 1 28 ALA HA 1 32 CYS H 3.500 . 4.000 3.143 2.705 3.819 . 0 0 "[ . 1]" 2
373 1 29 ASN HA 1 31 GLY H 4.000 . 5.000 4.360 3.712 5.000 . 0 0 "[ . 1]" 2
374 1 29 ASN H 1 31 GLY H 4.000 . 5.000 4.017 3.802 4.475 . 0 0 "[ . 1]" 2
375 1 34 PHE HZ 1 36 ASP HB3 3.500 . 4.000 2.497 2.038 3.091 . 0 0 "[ . 1]" 2
376 1 34 PHE HZ 1 36 ASP HB2 4.500 . 5.500 3.806 3.264 4.382 . 0 0 "[ . 1]" 2
377 1 35 ASP HA 1 37 THR H 4.000 . 5.000 3.554 3.116 4.164 . 0 0 "[ . 1]" 2
378 1 36 ASP HA 1 38 VAL H 4.000 . 5.000 3.426 2.939 3.815 . 0 0 "[ . 1]" 2
379 1 38 VAL HB 1 41 VAL H 4.000 . 5.000 4.703 4.544 4.910 . 0 0 "[ . 1]" 2
380 1 38 VAL H 1 43 TRP HE1 4.500 . 5.500 4.201 3.694 4.947 . 0 0 "[ . 1]" 2
381 1 39 ARG H 1 41 VAL H 4.500 . 5.500 4.551 4.323 4.830 . 0 0 "[ . 1]" 2
382 1 39 ARG HA 1 41 VAL H 3.500 . 4.000 3.351 3.103 3.802 . 0 0 "[ . 1]" 2
383 1 39 ARG HA 1 43 TRP HE1 2.700 . 3.200 2.145 1.400 2.743 . 0 0 "[ . 1]" 2
384 1 39 ARG H 1 43 TRP HE1 4.500 . 5.500 4.345 3.685 4.677 . 0 0 "[ . 1]" 2
385 1 39 ARG HA 1 43 TRP HZ2 3.500 . 4.000 3.673 2.783 4.003 0.003 4 0 "[ . 1]" 2
386 1 40 GLY H 1 43 TRP HE1 4.500 . 5.500 4.172 3.366 4.900 . 0 0 "[ . 1]" 2
387 1 41 VAL H 1 43 TRP HE1 4.500 . 5.500 4.364 3.728 4.869 . 0 0 "[ . 1]" 2
388 1 42 PRO HA 1 44 CYS H 4.000 . 5.000 3.875 3.593 4.135 . 0 0 "[ . 1]" 2
389 1 42 PRO HB2 1 44 CYS H 4.000 . 5.000 3.434 3.071 3.824 . 0 0 "[ . 1]" 2
390 1 42 PRO HB2 1 45 PHE HA 4.500 . 5.500 4.521 4.097 4.957 . 0 0 "[ . 1]" 2
391 1 47 PRO HB2 1 49 THR H 4.500 . 5.500 4.606 3.781 5.574 0.074 8 0 "[ . 1]" 2
392 1 1 GLU HA 1 2 ALA H 3.500 . 4.000 2.784 2.138 3.427 . 0 0 "[ . 1]" 2
393 1 2 ALA HA 1 3 GLN H 2.700 . 3.200 2.502 2.139 3.201 0.001 2 0 "[ . 1]" 2
394 1 3 GLN HA 1 4 THR H 2.700 . 3.200 2.264 2.144 2.580 . 0 0 "[ . 1]" 2
395 1 3 GLN HB3 1 4 THR H 4.000 . 5.000 3.123 2.092 3.842 . 0 0 "[ . 1]" 2
396 1 3 GLN HB2 1 4 THR H 4.000 . 5.000 4.022 3.257 4.432 . 0 0 "[ . 1]" 2
397 1 4 THR H 1 5 GLU H 4.000 . 5.000 4.295 4.162 4.375 . 0 0 "[ . 1]" 2
398 1 4 THR HB 1 5 GLU H 2.700 . 3.200 2.697 1.706 3.198 . 0 0 "[ . 1]" 2
399 1 5 GLU HA 1 6 THR H 2.700 . 3.200 2.231 2.146 2.643 . 0 0 "[ . 1]" 2
400 1 5 GLU HB2 1 6 THR H 4.000 . 5.000 3.997 3.075 4.228 . 0 0 "[ . 1]" 2
401 1 5 GLU HB3 1 6 THR H 3.500 . 4.000 3.028 2.003 3.352 . 0 0 "[ . 1]" 2
402 1 5 GLU H 1 6 THR H 4.000 . 5.000 4.494 4.393 4.592 . 0 0 "[ . 1]" 2
403 1 6 THR H 1 7 CYS H 4.000 . 5.000 4.456 4.391 4.542 . 0 0 "[ . 1]" 2
404 1 6 THR HA 1 7 CYS H 2.700 . 3.200 2.428 2.175 2.569 . 0 0 "[ . 1]" 2
405 1 6 THR HB 1 7 CYS H 4.000 . 5.000 3.561 3.266 4.110 . 0 0 "[ . 1]" 2
406 1 7 CYS HA 1 8 THR H 3.500 . 4.000 3.236 3.001 3.444 . 0 0 "[ . 1]" 2
407 1 7 CYS H 1 8 THR H 3.500 . 4.000 1.962 1.671 2.526 . 0 0 "[ . 1]" 2
408 1 7 CYS HB2 1 8 THR H 4.000 . 5.000 3.579 3.050 4.005 . 0 0 "[ . 1]" 2
409 1 8 THR H 1 9 VAL H 4.000 . 5.000 3.705 3.460 4.169 . 0 0 "[ . 1]" 2
410 1 8 THR HA 1 9 VAL H 2.700 . 3.200 2.483 2.237 2.667 . 0 0 "[ . 1]" 2
411 1 9 VAL H 1 10 ALA H 4.500 . 5.500 4.513 4.441 4.571 . 0 0 "[ . 1]" 2
412 1 9 VAL HA 1 10 ALA H 2.300 . 2.800 2.416 2.148 2.555 . 0 0 "[ . 1]" 2
413 1 9 VAL HB 1 10 ALA H 4.000 . 5.000 3.543 3.252 4.197 . 0 0 "[ . 1]" 2
414 1 10 ALA HA 1 11 PRO HA 4.000 . 5.000 4.427 4.379 4.489 . 0 0 "[ . 1]" 2
415 1 11 PRO HA 1 12 ARG H 4.000 . 5.000 3.537 3.468 3.578 . 0 0 "[ . 1]" 2
416 1 12 ARG H 1 13 GLU H 2.700 . 3.200 2.466 2.237 2.826 . 0 0 "[ . 1]" 2
417 1 12 ARG HA 1 13 GLU H 3.500 . 4.000 3.485 3.480 3.493 . 0 0 "[ . 1]" 2
418 1 13 GLU H 1 14 ARG HB2 4.500 . 5.500 4.720 4.413 4.935 . 0 0 "[ . 1]" 2
419 1 13 GLU H 1 14 ARG HG3 4.000 . 5.000 3.408 3.171 3.665 . 0 0 "[ . 1]" 2
420 1 13 GLU H 1 14 ARG H 2.700 . 3.200 2.633 2.071 3.032 . 0 0 "[ . 1]" 2
421 1 13 GLU H 1 14 ARG HE 4.500 . 5.500 5.258 4.819 5.517 0.017 6 0 "[ . 1]" 2
422 1 13 GLU HA 1 14 ARG H 3.500 . 4.000 3.073 2.732 3.416 . 0 0 "[ . 1]" 2
423 1 13 GLU HB2 1 14 ARG H 4.500 . 5.500 3.803 3.166 4.285 . 0 0 "[ . 1]" 2
424 1 14 ARG H 1 15 GLN H 4.500 . 5.500 4.477 4.326 4.612 . 0 0 "[ . 1]" 2
425 1 14 ARG HA 1 15 GLN H 2.300 . 2.800 2.175 2.136 2.303 . 0 0 "[ . 1]" 2
426 1 14 ARG HB2 1 15 GLN H 4.000 . 5.000 4.162 3.804 4.345 . 0 0 "[ . 1]" 2
427 1 14 ARG HB3 1 15 GLN H 4.000 . 5.000 3.239 2.679 3.596 . 0 0 "[ . 1]" 2
428 1 14 ARG HG3 1 15 GLN H 4.500 . 5.500 5.093 4.962 5.160 . 0 0 "[ . 1]" 2
429 1 15 GLN HA 1 16 ASN H 2.300 . 2.800 2.237 2.169 2.336 . 0 0 "[ . 1]" 2
430 1 16 ASN H 1 17 CYS H 4.500 . 5.500 4.603 4.476 4.632 . 0 0 "[ . 1]" 2
431 1 16 ASN HA 1 17 CYS H 3.500 . 4.000 2.255 2.139 2.288 . 0 0 "[ . 1]" 2
432 1 16 ASN HB2 1 17 CYS H 4.500 . 5.500 3.999 3.946 4.279 . 0 0 "[ . 1]" 2
433 1 17 CYS H 1 18 GLY H 2.700 . 3.200 1.752 1.664 2.019 . 0 0 "[ . 1]" 2
434 1 17 CYS HA 1 18 GLY H 2.700 . 3.200 3.216 3.166 3.244 0.044 7 0 "[ . 1]" 2
435 1 17 CYS HB2 1 18 GLY H 4.000 . 5.000 4.385 4.287 4.449 . 0 0 "[ . 1]" 2
436 1 18 GLY H 1 19 PHE H 4.000 . 5.000 4.029 3.871 4.158 . 0 0 "[ . 1]" 2
437 1 18 GLY HA2 1 19 PHE H 2.700 . 3.200 2.385 2.150 3.227 0.027 7 0 "[ . 1]" 2
438 1 19 PHE H 1 20 PRO HD3 4.500 . 5.500 5.138 5.083 5.166 . 0 0 "[ . 1]" 2
439 1 19 PHE HA 1 20 PRO HA 4.500 . 5.500 4.389 4.375 4.396 . 0 0 "[ . 1]" 2
440 1 19 PHE HA 1 20 PRO HD3 2.300 . 2.800 2.502 2.446 2.669 . 0 0 "[ . 1]" 2
441 1 19 PHE HA 1 20 PRO HD2 3.500 . 4.000 2.702 2.534 2.917 . 0 0 "[ . 1]" 2
442 1 20 PRO HB2 1 21 GLY H 4.500 . 5.500 3.169 2.567 3.726 . 0 0 "[ . 1]" 2
443 1 20 PRO HB3 1 21 GLY H 4.000 . 5.000 4.059 3.727 4.370 . 0 0 "[ . 1]" 2
444 1 21 GLY HA2 1 22 VAL H 4.000 . 5.000 3.133 2.841 3.496 . 0 0 "[ . 1]" 2
445 1 21 GLY HA3 1 22 VAL H 4.000 . 5.000 3.356 2.952 3.532 . 0 0 "[ . 1]" 2
446 1 22 VAL H 1 23 THR H 4.000 . 5.000 4.614 4.506 4.641 . 0 0 "[ . 1]" 2
447 1 22 VAL HA 1 23 THR H 2.300 . 2.800 2.300 2.137 2.480 . 0 0 "[ . 1]" 2
448 1 22 VAL HB 1 23 THR HA 4.000 . 5.000 4.517 4.305 4.685 . 0 0 "[ . 1]" 2
449 1 24 PRO HD2 1 25 SER H 4.000 . 5.000 2.849 2.701 3.012 . 0 0 "[ . 1]" 2
450 1 24 PRO HA 1 25 SER H 4.000 . 5.000 3.547 3.526 3.570 . 0 0 "[ . 1]" 2
451 1 25 SER H 1 26 GLN H 2.700 . 3.200 2.405 2.299 2.521 . 0 0 "[ . 1]" 2
452 1 25 SER HA 1 26 GLN H 4.000 . 5.000 3.529 3.496 3.556 . 0 0 "[ . 1]" 2
453 1 26 GLN H 1 27 CYS H 2.700 . 3.200 2.636 2.498 2.761 . 0 0 "[ . 1]" 2
454 1 26 GLN H 1 27 CYS HB2 4.500 . 5.500 5.105 4.993 5.265 . 0 0 "[ . 1]" 2
455 1 26 GLN HA 1 27 CYS H 4.000 . 5.000 3.520 3.469 3.567 . 0 0 "[ . 1]" 2
456 1 26 GLN HB2 1 27 CYS H 3.500 . 4.000 2.671 2.286 2.937 . 0 0 "[ . 1]" 2
457 1 26 GLN HB3 1 27 CYS H 4.000 . 5.000 3.714 3.362 3.925 . 0 0 "[ . 1]" 2
458 1 27 CYS H 1 28 ALA H 2.700 . 3.200 2.554 2.236 2.869 . 0 0 "[ . 1]" 2
459 1 27 CYS HA 1 28 ALA H 4.000 . 5.000 3.559 3.520 3.571 . 0 0 "[ . 1]" 2
460 1 27 CYS HB3 1 28 ALA H 3.500 . 4.000 2.385 2.207 2.722 . 0 0 "[ . 1]" 2
461 1 27 CYS HB2 1 28 ALA H 4.000 . 5.000 3.769 3.666 3.952 . 0 0 "[ . 1]" 2
462 1 28 ALA H 1 29 ASN HA 4.500 . 5.500 5.226 5.034 5.317 . 0 0 "[ . 1]" 2
463 1 28 ALA HA 1 29 ASN H 3.500 . 4.000 3.448 3.370 3.521 . 0 0 "[ . 1]" 2
464 1 29 ASN H 1 30 LYS H 2.700 . 3.200 2.517 2.243 2.726 . 0 0 "[ . 1]" 2
465 1 29 ASN HA 1 30 LYS H 3.500 . 4.000 3.404 3.361 3.470 . 0 0 "[ . 1]" 2
466 1 30 LYS H 1 31 GLY H 2.700 . 3.200 2.160 2.017 2.312 . 0 0 "[ . 1]" 2
467 1 30 LYS H 1 31 GLY HA2 4.000 . 5.000 4.874 4.764 4.961 . 0 0 "[ . 1]" 2
468 1 30 LYS HA 1 31 GLY H 3.500 . 4.000 3.458 3.275 3.566 . 0 0 "[ . 1]" 2
469 1 31 GLY H 1 32 CYS H 2.300 . 2.800 2.143 1.776 2.509 . 0 0 "[ . 1]" 2
470 1 31 GLY HA3 1 32 CYS H 3.500 . 4.000 3.021 2.757 3.490 . 0 0 "[ . 1]" 2
471 1 31 GLY HA2 1 32 CYS H 3.500 . 4.000 3.414 2.969 3.554 . 0 0 "[ . 1]" 2
472 1 31 GLY H 1 32 CYS HB2 4.500 . 5.500 4.304 3.912 4.637 . 0 0 "[ . 1]" 2
473 1 32 CYS HB2 1 33 CYS H 4.000 . 5.000 3.435 3.019 3.862 . 0 0 "[ . 1]" 2
474 1 32 CYS H 1 33 CYS H 4.000 . 5.000 4.459 4.359 4.551 . 0 0 "[ . 1]" 2
475 1 32 CYS HA 1 33 CYS H 2.700 . 3.200 2.495 2.287 2.705 . 0 0 "[ . 1]" 2
476 1 32 CYS HB3 1 33 CYS H 2.700 . 3.200 2.252 1.894 2.706 . 0 0 "[ . 1]" 2
477 1 33 CYS HA 1 34 PHE H 2.300 . 2.800 2.292 2.176 2.328 . 0 0 "[ . 1]" 2
478 1 33 CYS HA 1 34 PHE HA 4.500 . 5.500 4.423 4.377 4.448 . 0 0 "[ . 1]" 2
479 1 33 CYS HB2 1 34 PHE H 4.000 . 5.000 3.853 3.750 4.159 . 0 0 "[ . 1]" 2
480 1 33 CYS HB3 1 34 PHE H 3.500 . 4.000 2.746 2.629 3.177 . 0 0 "[ . 1]" 2
481 1 34 PHE H 1 35 ASP H 4.000 . 5.000 4.249 4.009 4.425 . 0 0 "[ . 1]" 2
482 1 34 PHE HA 1 35 ASP H 2.300 . 2.800 2.157 2.139 2.185 . 0 0 "[ . 1]" 2
483 1 34 PHE HA 1 35 ASP HA 4.500 . 5.500 4.405 4.381 4.443 . 0 0 "[ . 1]" 2
484 1 34 PHE HB2 1 35 ASP H 4.000 . 5.000 4.280 4.111 4.436 . 0 0 "[ . 1]" 2
485 1 34 PHE HB3 1 35 ASP H 4.000 . 5.000 4.246 4.070 4.382 . 0 0 "[ . 1]" 2
486 1 35 ASP H 1 36 ASP H 4.000 . 5.000 3.618 3.226 4.017 . 0 0 "[ . 1]" 2
487 1 35 ASP HA 1 36 ASP H 2.300 . 2.800 2.264 2.172 2.338 . 0 0 "[ . 1]" 2
488 1 35 ASP HB3 1 36 ASP H 4.000 . 5.000 4.473 4.433 4.491 . 0 0 "[ . 1]" 2
489 1 36 ASP HA 1 37 THR H 3.500 . 4.000 2.882 2.547 3.287 . 0 0 "[ . 1]" 2
490 1 37 THR H 1 38 VAL H 2.700 . 3.200 2.241 1.956 2.827 . 0 0 "[ . 1]" 2
491 1 37 THR H 1 38 VAL HB 4.500 . 5.500 4.560 4.224 5.162 . 0 0 "[ . 1]" 2
492 1 37 THR HA 1 38 VAL H 3.500 . 4.000 3.401 3.309 3.506 . 0 0 "[ . 1]" 2
493 1 38 VAL H 1 39 ARG H 4.500 . 5.500 4.167 3.886 4.406 . 0 0 "[ . 1]" 2
494 1 38 VAL HA 1 39 ARG H 2.300 . 2.800 2.152 2.134 2.174 . 0 0 "[ . 1]" 2
495 1 39 ARG H 1 40 GLY H 4.500 . 5.500 4.530 4.440 4.627 . 0 0 "[ . 1]" 2
496 1 39 ARG H 1 40 GLY HA2 4.500 . 5.500 5.388 5.269 5.502 0.002 10 0 "[ . 1]" 2
497 1 39 ARG HA 1 40 GLY H 2.700 . 3.200 2.576 2.324 2.779 . 0 0 "[ . 1]" 2
498 1 40 GLY H 1 41 VAL H 3.500 . 4.000 3.179 2.976 3.288 . 0 0 "[ . 1]" 2
499 1 41 VAL HA 1 42 PRO HA 4.000 . 5.000 4.402 4.398 4.411 . 0 0 "[ . 1]" 2
500 1 41 VAL H 1 42 PRO HD2 4.500 . 5.500 4.738 4.674 4.788 . 0 0 "[ . 1]" 2
501 1 41 VAL HA 1 42 PRO HD3 2.300 . 2.800 2.429 2.369 2.498 . 0 0 "[ . 1]" 2
502 1 41 VAL HA 1 42 PRO HD2 3.500 . 4.000 2.620 2.494 2.736 . 0 0 "[ . 1]" 2
503 1 42 PRO HA 1 43 TRP H 2.700 . 3.200 2.173 2.152 2.270 . 0 0 "[ . 1]" 2
504 1 42 PRO HB2 1 43 TRP H 4.000 . 5.000 3.533 2.974 3.721 . 0 0 "[ . 1]" 2
505 1 43 TRP H 1 44 CYS H 3.500 . 4.000 2.482 2.159 2.652 . 0 0 "[ . 1]" 2
506 1 43 TRP HA 1 44 CYS H 3.500 . 4.000 3.516 3.471 3.563 . 0 0 "[ . 1]" 2
507 1 43 TRP H 1 44 CYS HA 4.500 . 5.500 5.143 4.888 5.268 . 0 0 "[ . 1]" 2
508 1 43 TRP H 1 44 CYS HB3 4.500 . 5.500 4.809 4.471 4.996 . 0 0 "[ . 1]" 2
509 1 43 TRP HB2 1 44 CYS H 4.000 . 5.000 2.726 2.418 2.951 . 0 0 "[ . 1]" 2
510 1 44 CYS H 1 45 PHE H 4.000 . 5.000 4.333 4.005 4.472 . 0 0 "[ . 1]" 2
511 1 44 CYS HA 1 45 PHE H 2.300 . 2.800 2.154 2.140 2.212 . 0 0 "[ . 1]" 2
512 1 44 CYS HA 1 45 PHE HA 4.000 . 5.000 4.397 4.388 4.415 . 0 0 "[ . 1]" 2
513 1 44 CYS HB3 1 45 PHE H 4.000 . 5.000 4.309 4.175 4.450 . 0 0 "[ . 1]" 2
514 1 45 PHE H 1 46 TYR H 4.500 . 5.500 4.400 4.355 4.440 . 0 0 "[ . 1]" 2
515 1 46 TYR HA 1 47 PRO HD2 3.500 . 4.000 2.360 2.045 2.565 . 0 0 "[ . 1]" 2
516 1 46 TYR HA 1 47 PRO HD3 2.700 . 3.200 2.275 2.077 2.454 . 0 0 "[ . 1]" 2
517 1 47 PRO HA 1 48 ASN H 2.300 . 2.800 2.707 2.443 2.844 0.044 8 0 "[ . 1]" 2
518 1 47 PRO HB2 1 48 ASN H 2.700 . 3.200 1.934 1.596 2.522 . 0 0 "[ . 1]" 2
519 1 47 PRO HB3 1 48 ASN H 3.500 . 4.000 3.178 2.911 3.414 . 0 0 "[ . 1]" 2
520 1 47 PRO HB2 1 48 ASN HA 4.000 . 5.000 4.131 3.974 4.278 . 0 0 "[ . 1]" 2
521 1 48 ASN H 1 49 THR H 4.000 . 5.000 3.915 3.482 4.399 . 0 0 "[ . 1]" 2
522 1 48 ASN HA 1 49 THR H 2.300 . 2.800 2.276 2.140 2.576 . 0 0 "[ . 1]" 2
523 1 48 ASN HA 1 49 THR HA 4.500 . 5.500 4.429 4.272 4.489 . 0 0 "[ . 1]" 2
524 1 49 THR HA 1 50 ILE H 2.300 . 2.800 2.229 2.141 2.460 . 0 0 "[ . 1]" 2
525 1 50 ILE HA 1 51 ASP H 2.300 . 2.800 2.283 2.151 2.417 . 0 0 "[ . 1]" 2
526 1 50 ILE HG13 1 51 ASP H 4.500 . 5.500 4.943 4.793 5.102 . 0 0 "[ . 1]" 2
527 1 50 ILE HG12 1 51 ASP H 4.500 . 5.500 4.182 4.039 4.479 . 0 0 "[ . 1]" 2
528 1 50 ILE HB 1 51 ASP H 3.500 . 4.000 3.820 3.548 4.035 0.035 10 0 "[ . 1]" 2
529 1 51 ASP HA 1 52 VAL H 2.700 . 3.200 2.469 2.141 2.783 . 0 0 "[ . 1]" 2
530 1 51 ASP HB2 1 52 VAL H 4.000 . 5.000 2.981 1.891 4.374 . 0 0 "[ . 1]" 2
531 1 8 THR H 1 9 VAL HA 4.000 4.000 34.000 5.119 4.825 5.417 . 0 0 "[ . 1]" 2
532 1 19 PHE HB3 1 21 GLY H 4.000 4.000 34.000 4.609 4.150 5.253 . 0 0 "[ . 1]" 2
533 1 3 GLN H 1 3 GLN HB3 3.500 . 4.000 3.775 3.625 3.943 . 0 0 "[ . 1]" 2
534 1 3 GLN H 1 3 GLN HB2 2.700 . 3.200 2.674 2.476 2.943 . 0 0 "[ . 1]" 2
535 1 4 THR H 1 4 THR HB 3.500 . 4.000 3.961 3.872 4.025 0.025 8 0 "[ . 1]" 2
536 1 5 GLU H 1 5 GLU HB2 3.500 . 4.000 2.514 2.471 2.579 . 0 0 "[ . 1]" 2
537 1 5 GLU H 1 5 GLU HB3 4.000 . 5.000 3.659 3.595 3.705 . 0 0 "[ . 1]" 2
538 1 5 GLU H 1 5 GLU HG3 4.000 . 5.000 2.772 2.087 3.909 . 0 0 "[ . 1]" 2
539 1 6 THR H 1 6 THR HB 3.500 . 4.000 2.737 2.534 3.399 . 0 0 "[ . 1]" 2
540 1 7 CYS H 1 7 CYS HB3 4.000 . 5.000 3.798 3.703 3.894 . 0 0 "[ . 1]" 2
541 1 9 VAL H 1 9 VAL HB 2.700 . 3.200 2.577 2.520 2.707 . 0 0 "[ . 1]" 2
542 1 10 ALA H 1 10 ALA HA 2.700 . 3.200 2.878 2.755 2.923 . 0 0 "[ . 1]" 2
543 1 12 ARG H 1 12 ARG HB2 3.500 . 4.000 2.948 2.475 3.654 . 0 0 "[ . 1]" 2
544 1 12 ARG H 1 12 ARG HB3 3.500 . 4.000 3.229 2.502 3.640 . 0 0 "[ . 1]" 2
545 1 13 GLU H 1 13 GLU HB3 3.500 . 4.000 3.669 3.614 3.723 . 0 0 "[ . 1]" 2
546 1 13 GLU H 1 13 GLU HB2 4.000 . 5.000 2.511 2.449 2.565 . 0 0 "[ . 1]" 2
547 1 14 ARG H 1 14 ARG HA 2.700 . 3.200 2.879 2.762 2.944 . 0 0 "[ . 1]" 2
548 1 14 ARG H 1 14 ARG HB2 2.700 . 3.200 2.522 2.479 2.563 . 0 0 "[ . 1]" 2
549 1 14 ARG H 1 14 ARG HB3 4.000 . 5.000 3.649 3.595 3.719 . 0 0 "[ . 1]" 2
550 1 14 ARG H 1 14 ARG HG2 4.000 . 5.000 3.610 3.270 3.880 . 0 0 "[ . 1]" 2
551 1 14 ARG H 1 14 ARG HG3 3.500 . 4.000 2.468 2.104 2.782 . 0 0 "[ . 1]" 2
552 1 14 ARG H 1 14 ARG HD2 4.500 . 5.500 4.178 3.980 4.388 . 0 0 "[ . 1]" 2
553 1 16 ASN H 1 16 ASN HB3 2.700 . 3.200 2.759 2.638 2.802 . 0 0 "[ . 1]" 2
554 1 16 ASN H 1 16 ASN HB2 2.300 . 2.800 2.467 2.436 2.478 . 0 0 "[ . 1]" 2
555 1 17 CYS H 1 17 CYS HB3 2.300 . 2.800 2.766 2.628 2.826 0.026 2 0 "[ . 1]" 2
556 1 17 CYS H 1 17 CYS HB2 4.000 . 5.000 3.264 3.156 3.370 . 0 0 "[ . 1]" 2
557 1 19 PHE H 1 19 PHE HB2 4.000 . 5.000 3.680 3.597 3.705 . 0 0 "[ . 1]" 2
558 1 21 GLY H 1 21 GLY HA3 2.300 . 2.800 2.846 2.702 2.942 0.142 2 0 "[ . 1]" 2
559 1 23 THR H 1 23 THR HB 4.000 . 5.000 3.794 3.704 3.900 . 0 0 "[ . 1]" 2
560 1 26 GLN H 1 26 GLN HB2 2.700 . 3.200 2.506 2.480 2.530 . 0 0 "[ . 1]" 2
561 1 26 GLN H 1 26 GLN HB3 4.000 . 5.000 3.593 3.588 3.600 . 0 0 "[ . 1]" 2
562 1 27 CYS H 1 27 CYS HA 2.700 . 3.200 2.874 2.779 2.918 . 0 0 "[ . 1]" 2
563 1 27 CYS H 1 27 CYS HB2 2.700 . 3.200 2.668 2.508 2.791 . 0 0 "[ . 1]" 2
564 1 27 CYS H 1 27 CYS HB3 2.700 . 3.200 2.488 2.471 2.548 . 0 0 "[ . 1]" 2
565 1 32 CYS H 1 32 CYS HB3 4.000 . 5.000 3.744 3.594 3.908 . 0 0 "[ . 1]" 2
566 1 32 CYS H 1 32 CYS HB2 3.500 . 4.000 2.621 2.462 2.870 . 0 0 "[ . 1]" 2
567 1 33 CYS H 1 33 CYS HB2 2.700 . 3.200 2.493 2.457 2.571 . 0 0 "[ . 1]" 2
568 1 33 CYS H 1 33 CYS HB3 4.000 . 5.000 3.650 3.594 3.736 . 0 0 "[ . 1]" 2
569 1 34 PHE H 1 34 PHE HB2 2.700 . 3.200 3.115 2.864 3.208 0.008 3 0 "[ . 1]" 2
570 1 34 PHE H 1 34 PHE HB3 2.700 . 3.200 2.675 2.568 2.767 . 0 0 "[ . 1]" 2
571 1 35 ASP H 1 35 ASP HB2 3.500 . 4.000 3.284 3.138 3.447 . 0 0 "[ . 1]" 2
572 1 36 ASP H 1 36 ASP HB2 4.000 . 5.000 3.636 3.601 3.664 . 0 0 "[ . 1]" 2
573 1 36 ASP H 1 36 ASP HB3 4.000 . 5.000 2.759 2.631 2.851 . 0 0 "[ . 1]" 2
574 1 37 THR H 1 37 THR HB 3.500 . 4.000 3.688 3.620 3.757 . 0 0 "[ . 1]" 2
575 1 38 VAL H 1 38 VAL HB 2.700 . 3.200 2.699 2.544 2.871 . 0 0 "[ . 1]" 2
576 1 41 VAL H 1 41 VAL HB 3.500 . 4.000 3.717 3.672 3.787 . 0 0 "[ . 1]" 2
577 1 43 TRP H 1 43 TRP HA 2.700 . 3.200 2.863 2.832 2.927 . 0 0 "[ . 1]" 2
578 1 43 TRP H 1 43 TRP HB2 3.500 . 4.000 2.484 2.465 2.499 . 0 0 "[ . 1]" 2
579 1 43 TRP H 1 43 TRP HB3 4.000 . 5.000 3.612 3.597 3.666 . 0 0 "[ . 1]" 2
580 1 43 TRP HB3 1 43 TRP HE1 4.500 . 5.500 5.083 5.025 5.142 . 0 0 "[ . 1]" 2
581 1 43 TRP HB2 1 43 TRP HD1 3.500 . 4.000 3.747 3.647 3.825 . 0 0 "[ . 1]" 2
582 1 43 TRP HB3 1 43 TRP HD1 3.500 . 4.000 3.439 3.297 3.580 . 0 0 "[ . 1]" 2
583 1 43 TRP HA 1 43 TRP HE3 4.500 . 5.500 5.220 5.166 5.237 . 0 0 "[ . 1]" 2
584 1 43 TRP HB2 1 43 TRP HE3 4.000 . 5.000 2.705 2.552 2.887 . 0 0 "[ . 1]" 2
585 1 43 TRP HB3 1 43 TRP HE3 4.000 . 5.000 3.220 3.004 3.423 . 0 0 "[ . 1]" 2
586 1 44 CYS H 1 44 CYS HB2 3.500 . 4.000 2.830 2.736 2.965 . 0 0 "[ . 1]" 2
587 1 44 CYS H 1 44 CYS HB3 2.700 . 3.200 2.522 2.483 2.589 . 0 0 "[ . 1]" 2
588 1 45 PHE H 1 45 PHE HB2 3.500 . 4.000 3.862 3.776 3.935 . 0 0 "[ . 1]" 2
589 1 46 TYR H 1 46 TYR HB2 2.700 . 3.200 2.503 2.461 2.602 . 0 0 "[ . 1]" 2
590 1 46 TYR H 1 46 TYR HB3 4.000 . 5.000 3.606 3.586 3.648 . 0 0 "[ . 1]" 2
591 1 49 THR H 1 49 THR HB 4.000 . 5.000 2.990 2.494 3.780 . 0 0 "[ . 1]" 2
592 1 50 ILE H 1 50 ILE HB 2.700 . 3.200 2.660 2.503 2.869 . 0 0 "[ . 1]" 2
593 1 50 ILE H 1 50 ILE HG13 3.500 . 4.000 2.774 2.394 3.075 . 0 0 "[ . 1]" 2
594 1 50 ILE H 1 50 ILE HG12 4.000 . 5.000 3.869 3.584 4.123 . 0 0 "[ . 1]" 2
595 1 51 ASP H 1 51 ASP HB2 3.500 . 4.000 3.393 2.474 4.003 0.003 3 0 "[ . 1]" 2
596 1 52 VAL H 1 52 VAL HA 2.700 . 3.200 2.924 2.879 2.948 . 0 0 "[ . 1]" 2
597 1 52 VAL H 1 52 VAL HB 3.500 . 4.000 3.414 2.635 3.976 . 0 0 "[ . 1]" 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 33
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.052
_Distance_constraint_stats_list.Viol_max 0.005
_Distance_constraint_stats_list.Viol_rms 0.0003
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0052
_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 ALA 0.000 0.000 . 0 "[ . 1]"
1 3 GLN 0.000 0.000 . 0 "[ . 1]"
1 4 THR 0.000 0.000 . 0 "[ . 1]"
1 5 GLU 0.000 0.000 . 0 "[ . 1]"
1 6 THR 0.005 0.005 8 0 "[ . 1]"
1 8 THR 0.005 0.005 8 0 "[ . 1]"
1 11 PRO 0.000 0.000 . 0 "[ . 1]"
1 12 ARG 0.000 0.000 . 0 "[ . 1]"
1 14 ARG 0.000 0.000 . 0 "[ . 1]"
1 16 ASN 0.000 0.000 . 0 "[ . 1]"
1 17 CYS 0.000 0.000 . 0 "[ . 1]"
1 18 GLY 0.000 0.000 . 0 "[ . 1]"
1 19 PHE 0.000 0.000 . 0 "[ . 1]"
1 22 VAL 0.000 0.000 . 0 "[ . 1]"
1 23 THR 0.000 0.000 . 0 "[ . 1]"
1 24 PRO 0.000 0.000 . 0 "[ . 1]"
1 26 GLN 0.000 0.000 . 0 "[ . 1]"
1 28 ALA 0.000 0.000 . 0 "[ . 1]"
1 29 ASN 0.000 0.000 . 0 "[ . 1]"
1 30 LYS 0.000 0.000 . 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 CYS 0.000 0.000 . 0 "[ . 1]"
1 34 PHE 0.000 0.000 . 0 "[ . 1]"
1 41 VAL 0.000 0.000 . 0 "[ . 1]"
1 42 PRO 0.000 0.000 . 0 "[ . 1]"
1 43 TRP 0.000 0.000 . 0 "[ . 1]"
1 44 CYS 0.000 0.000 . 0 "[ . 1]"
1 45 PHE 0.000 0.000 . 0 "[ . 1]"
1 49 THR 0.000 0.000 . 0 "[ . 1]"
1 50 ILE 0.005 0.005 8 0 "[ . 1]"
1 51 ASP 0.000 0.000 . 0 "[ . 1]"
1 52 VAL 0.000 0.000 . 0 "[ . 1]"
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 3 GLN HA 1 5 GLU H 4.500 . 5.500 4.385 3.405 5.314 . 0 0 "[ . 1]" 3
2 1 3 GLN HB3 1 50 ILE H 4.500 . 5.500 4.735 3.713 5.488 . 0 0 "[ . 1]" 3
3 1 2 ALA MB 1 4 THR H 4.500 . 5.500 4.193 1.841 4.654 . 0 0 "[ . 1]" 3
4 1 6 THR H 1 8 THR H 4.500 . 5.500 4.344 3.436 5.505 0.005 8 0 "[ . 1]" 3
5 1 11 PRO HA 1 14 ARG HG3 3.500 . 4.000 2.418 1.894 2.942 . 0 0 "[ . 1]" 3
6 1 11 PRO HA 1 14 ARG HG2 4.000 . 5.000 3.673 3.259 4.293 . 0 0 "[ . 1]" 3
7 1 11 PRO HA 1 41 VAL MG1 3.500 . 4.000 2.897 2.818 2.981 . 0 0 "[ . 1]" 3
8 1 11 PRO HA 1 41 VAL MG2 3.500 . 4.000 2.648 2.222 2.937 . 0 0 "[ . 1]" 3
9 1 12 ARG QG 1 41 VAL MG1 4.500 . 5.500 3.804 2.903 4.658 . 0 0 "[ . 1]" 3
10 1 16 ASN HB3 1 17 CYS H 4.000 . 5.000 3.343 2.798 3.857 . 0 0 "[ . 1]" 3
11 1 16 ASN HB3 1 18 GLY H 4.000 . 5.000 3.246 2.937 3.572 . 0 0 "[ . 1]" 3
12 1 17 CYS HB3 1 18 GLY H 3.500 . 4.000 3.532 3.454 3.596 . 0 0 "[ . 1]" 3
13 1 18 GLY HA2 1 19 PHE H 2.700 . 3.200 2.182 2.103 2.409 . 0 0 "[ . 1]" 3
14 1 18 GLY QA 1 22 VAL HB 4.500 . 5.500 2.317 2.047 2.778 . 0 0 "[ . 1]" 3
15 1 19 PHE H 1 22 VAL HB 4.000 . 5.000 1.901 1.529 2.868 . 0 0 "[ . 1]" 3
16 1 19 PHE QD 1 22 VAL HB 3.500 . 4.000 2.387 2.190 2.605 . 0 0 "[ . 1]" 3
17 1 19 PHE QE 1 23 THR H 3.500 . 4.500 3.416 3.206 3.774 . 0 0 "[ . 1]" 3
18 1 22 VAL HB 1 23 THR H 4.000 . 5.000 2.621 2.212 3.192 . 0 0 "[ . 1]" 3
19 1 22 VAL HB 1 26 GLN HE21 4.500 . 5.500 4.081 2.816 5.295 . 0 0 "[ . 1]" 3
20 1 22 VAL HB 1 44 CYS HB3 4.500 . 5.500 2.485 1.735 3.396 . 0 0 "[ . 1]" 3
21 1 22 VAL HB 1 44 CYS H 4.500 . 5.500 3.871 3.355 4.590 . 0 0 "[ . 1]" 3
22 1 22 VAL H 1 22 VAL HB 2.300 . 2.800 1.981 1.929 2.100 . 0 0 "[ . 1]" 3
23 1 23 THR H 1 24 PRO QD 4.000 . 5.000 4.349 4.306 4.397 . 0 0 "[ . 1]" 3
24 1 28 ALA MB 1 30 LYS H 4.500 . 5.500 4.335 4.141 4.534 . 0 0 "[ . 1]" 3
25 1 29 ASN H 1 29 ASN QB 2.700 . 3.200 2.272 2.251 2.318 . 0 0 "[ . 1]" 3
26 1 29 ASN QB 1 30 LYS H 2.700 . 3.200 3.084 2.874 3.200 . 0 0 "[ . 1]" 3
27 1 30 LYS QB 1 31 GLY H 4.000 . 5.000 2.879 2.341 3.386 . 0 0 "[ . 1]" 3
28 1 30 LYS QB 1 32 CYS H 4.000 . 5.000 3.298 2.672 3.942 . 0 0 "[ . 1]" 3
29 1 26 GLN HB3 1 29 ASN H 4.500 . 5.500 4.252 3.917 4.582 . 0 0 "[ . 1]" 3
30 1 42 PRO HB3 1 44 CYS H 4.000 . 5.000 3.578 3.420 3.673 . 0 0 "[ . 1]" 3
31 1 17 CYS HB3 1 45 PHE H 3.500 . 4.000 2.968 2.879 3.049 . 0 0 "[ . 1]" 3
32 1 50 ILE H 1 50 ILE MD 4.000 . 5.000 3.503 3.356 3.605 . 0 0 "[ . 1]" 3
33 1 50 ILE H 1 51 ASP H 4.000 . 5.000 3.911 3.645 4.075 . 0 0 "[ . 1]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 598
_Distance_constraint_stats_list.Viol_count 168
_Distance_constraint_stats_list.Viol_total 28.090
_Distance_constraint_stats_list.Viol_max 0.161
_Distance_constraint_stats_list.Viol_rms 0.0060
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0167
_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
2 1 GLU 0.000 0.000 . 0 "[ . 1]"
2 2 ALA 0.005 0.005 6 0 "[ . 1]"
2 3 GLN 0.189 0.161 5 0 "[ . 1]"
2 4 THR 0.361 0.161 5 0 "[ . 1]"
2 5 GLU 0.193 0.108 1 0 "[ . 1]"
2 6 THR 0.239 0.105 1 0 "[ . 1]"
2 7 CYS 0.074 0.019 4 0 "[ . 1]"
2 8 THR 0.004 0.004 4 0 "[ . 1]"
2 9 VAL 0.027 0.008 6 0 "[ . 1]"
2 10 ALA 0.056 0.017 6 0 "[ . 1]"
2 11 PRO 0.000 0.000 . 0 "[ . 1]"
2 12 ARG 0.000 0.000 . 0 "[ . 1]"
2 13 GLU 0.074 0.028 10 0 "[ . 1]"
2 14 ARG 0.038 0.009 10 0 "[ . 1]"
2 15 GLN 0.059 0.028 10 0 "[ . 1]"
2 16 ASN 0.039 0.012 5 0 "[ . 1]"
2 17 CYS 0.241 0.035 9 0 "[ . 1]"
2 18 GLY 0.283 0.035 9 0 "[ . 1]"
2 19 PHE 0.071 0.027 4 0 "[ . 1]"
2 20 PRO 0.000 0.000 . 0 "[ . 1]"
2 21 GLY 1.014 0.154 7 0 "[ . 1]"
2 22 VAL 0.062 0.013 7 0 "[ . 1]"
2 23 THR 0.000 0.000 . 0 "[ . 1]"
2 24 PRO 0.000 0.000 . 0 "[ . 1]"
2 25 SER 0.001 0.001 2 0 "[ . 1]"
2 26 GLN 0.061 0.009 2 0 "[ . 1]"
2 27 CYS 0.027 0.008 5 0 "[ . 1]"
2 28 ALA 0.058 0.019 8 0 "[ . 1]"
2 29 ASN 0.043 0.009 2 0 "[ . 1]"
2 30 LYS 0.065 0.019 8 0 "[ . 1]"
2 31 GLY 0.000 0.000 . 0 "[ . 1]"
2 32 CYS 0.007 0.005 1 0 "[ . 1]"
2 33 CYS 0.042 0.026 1 0 "[ . 1]"
2 34 PHE 0.125 0.019 4 0 "[ . 1]"
2 35 ASP 0.010 0.006 2 0 "[ . 1]"
2 36 ASP 0.004 0.004 3 0 "[ . 1]"
2 37 THR 0.000 0.000 . 0 "[ . 1]"
2 38 VAL 0.000 0.000 . 0 "[ . 1]"
2 39 ARG 0.017 0.012 1 0 "[ . 1]"
2 40 GLY 0.000 0.000 . 0 "[ . 1]"
2 41 VAL 0.000 0.000 7 0 "[ . 1]"
2 42 PRO 0.000 0.000 . 0 "[ . 1]"
2 43 TRP 0.094 0.012 5 0 "[ . 1]"
2 44 CYS 0.007 0.006 1 0 "[ . 1]"
2 45 PHE 0.051 0.026 1 0 "[ . 1]"
2 46 TYR 0.049 0.009 10 0 "[ . 1]"
2 47 PRO 0.012 0.004 10 0 "[ . 1]"
2 48 ASN 0.173 0.080 1 0 "[ . 1]"
2 49 THR 0.144 0.108 1 0 "[ . 1]"
2 50 ILE 0.444 0.105 1 0 "[ . 1]"
2 51 ASP 0.057 0.022 1 0 "[ . 1]"
2 52 VAL 0.023 0.016 3 0 "[ . 1]"
2 53 PRO 0.023 0.016 3 0 "[ . 1]"
2 54 PRO 0.000 0.000 . 0 "[ . 1]"
2 55 GLU 0.000 0.000 . 0 "[ . 1]"
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 2 9 VAL H 2 14 ARG QH 4.500 . 5.500 4.038 3.215 4.535 . 0 0 "[ . 1]" 4
2 2 9 VAL HB 2 45 PHE QD 4.000 . 5.000 3.993 3.300 4.787 . 0 0 "[ . 1]" 4
3 2 9 VAL MG2 2 45 PHE QD 4.000 . 5.000 3.457 2.506 4.761 . 0 0 "[ . 1]" 4
4 2 9 VAL MG2 2 45 PHE QE 3.500 . 4.000 2.423 1.567 3.360 . 0 0 "[ . 1]" 4
5 2 14 ARG QH 2 38 VAL MG1 4.500 . 5.500 3.683 2.725 4.122 . 0 0 "[ . 1]" 4
6 2 14 ARG QH 2 41 VAL MG1 4.500 . 5.500 4.594 4.121 4.892 . 0 0 "[ . 1]" 4
7 2 15 GLN HA 2 46 TYR QD 4.000 . 5.000 4.251 3.782 4.596 . 0 0 "[ . 1]" 4
8 2 15 GLN QB 2 46 TYR QD 2.700 . 3.200 2.366 2.018 2.816 . 0 0 "[ . 1]" 4
9 2 15 GLN QG 2 46 TYR QD 3.500 . 4.000 2.561 1.441 3.945 . 0 0 "[ . 1]" 4
10 2 17 CYS HA 2 46 TYR QD 3.500 . 4.000 3.926 3.703 4.008 0.008 4 0 "[ . 1]" 4
11 2 17 CYS H 2 46 TYR QE 4.500 . 5.500 4.790 4.491 4.947 . 0 0 "[ . 1]" 4
12 2 17 CYS HA 2 46 TYR QE 3.500 . 4.000 2.644 2.389 2.905 . 0 0 "[ . 1]" 4
13 2 17 CYS HB3 2 46 TYR QD 4.000 . 5.000 4.587 3.942 4.847 . 0 0 "[ . 1]" 4
14 2 17 CYS HB2 2 46 TYR QD 3.500 . 4.000 3.089 2.570 3.314 . 0 0 "[ . 1]" 4
15 2 17 CYS HB3 2 46 TYR QE 4.000 . 5.000 4.705 4.246 5.002 0.002 6 0 "[ . 1]" 4
16 2 22 VAL MG2 2 34 PHE QD 4.000 . 5.000 2.612 2.246 2.911 . 0 0 "[ . 1]" 4
17 2 22 VAL MG2 2 34 PHE QE 2.700 . 3.200 2.133 1.589 2.923 . 0 0 "[ . 1]" 4
18 2 27 CYS H 2 34 PHE QD 4.000 . 5.000 4.091 3.717 4.588 . 0 0 "[ . 1]" 4
19 2 27 CYS HB2 2 34 PHE QD 2.700 . 3.200 2.348 1.992 2.897 . 0 0 "[ . 1]" 4
20 2 33 CYS H 2 45 PHE QD 4.500 . 5.500 4.552 4.334 4.814 . 0 0 "[ . 1]" 4
21 2 28 ALA H 2 34 PHE QD 4.500 . 5.500 5.086 4.637 5.328 . 0 0 "[ . 1]" 4
22 2 34 PHE QD 2 43 TRP HE3 4.500 . 5.500 4.677 4.480 4.925 . 0 0 "[ . 1]" 4
23 2 34 PHE QE 2 43 TRP HE3 3.500 . 4.000 2.846 2.386 3.209 . 0 0 "[ . 1]" 4
24 2 34 PHE QD 2 44 CYS HA 4.000 . 5.000 3.687 3.011 4.372 . 0 0 "[ . 1]" 4
25 2 19 PHE QD 2 21 GLY HA2 4.000 . 5.000 2.495 2.167 2.814 . 0 0 "[ . 1]" 4
26 2 19 PHE QD 2 22 VAL H 4.000 . 5.000 2.680 2.386 3.494 . 0 0 "[ . 1]" 4
27 2 19 PHE QE 2 22 VAL H 4.000 . 5.000 3.092 2.778 3.721 . 0 0 "[ . 1]" 4
28 2 19 PHE QE 2 22 VAL HA 2.700 . 3.200 2.597 2.146 3.197 . 0 0 "[ . 1]" 4
29 2 19 PHE QE 2 23 THR H 4.500 . 5.500 4.191 3.428 5.401 . 0 0 "[ . 1]" 4
30 2 34 PHE QD 2 36 ASP H 4.500 . 5.500 3.298 2.964 3.759 . 0 0 "[ . 1]" 4
31 2 34 PHE QE 2 36 ASP HB3 3.500 . 4.000 2.607 2.085 3.229 . 0 0 "[ . 1]" 4
32 2 18 GLY HA3 2 19 PHE QD 3.500 . 4.000 3.881 3.621 4.013 0.013 8 0 "[ . 1]" 4
33 2 19 PHE QD 2 20 PRO HD3 4.000 . 5.000 4.450 4.173 4.807 . 0 0 "[ . 1]" 4
34 2 19 PHE QD 2 20 PRO HD2 4.000 . 5.000 3.059 2.658 3.565 . 0 0 "[ . 1]" 4
35 2 34 PHE QD 2 35 ASP H 4.000 . 5.000 3.675 3.069 3.880 . 0 0 "[ . 1]" 4
36 2 34 PHE QD 2 35 ASP HA 4.000 . 5.000 3.520 3.019 3.747 . 0 0 "[ . 1]" 4
37 2 34 PHE QE 2 35 ASP H 4.000 . 5.000 4.647 3.851 4.963 . 0 0 "[ . 1]" 4
38 2 45 PHE HA 2 46 TYR QD 4.000 . 5.000 3.734 3.588 3.896 . 0 0 "[ . 1]" 4
39 2 46 TYR QD 2 47 PRO HD3 3.500 . 4.000 3.919 3.759 4.004 0.004 7 0 "[ . 1]" 4
40 2 46 TYR QD 2 47 PRO HD2 3.500 . 4.000 2.952 2.757 3.455 . 0 0 "[ . 1]" 4
41 2 19 PHE H 2 19 PHE QE 4.500 . 5.500 3.849 3.673 4.153 . 0 0 "[ . 1]" 4
42 2 19 PHE H 2 19 PHE QD 4.000 . 5.000 2.160 1.946 2.350 . 0 0 "[ . 1]" 4
43 2 19 PHE HA 2 19 PHE QD 3.500 . 4.000 3.710 3.677 3.728 . 0 0 "[ . 1]" 4
44 2 19 PHE HB3 2 19 PHE QD 2.700 . 3.200 2.445 2.374 2.519 . 0 0 "[ . 1]" 4
45 2 19 PHE HB2 2 19 PHE QD 2.700 . 3.200 2.336 2.290 2.395 . 0 0 "[ . 1]" 4
46 2 34 PHE H 2 34 PHE QD 4.000 . 5.000 4.258 4.179 4.291 . 0 0 "[ . 1]" 4
47 2 34 PHE HA 2 34 PHE QD 3.500 . 4.000 2.972 2.856 3.053 . 0 0 "[ . 1]" 4
48 2 34 PHE HB2 2 34 PHE QD 2.300 . 2.800 2.369 2.337 2.413 . 0 0 "[ . 1]" 4
49 2 45 PHE H 2 45 PHE QE 4.500 . 5.500 4.198 3.906 4.336 . 0 0 "[ . 1]" 4
50 2 45 PHE H 2 45 PHE QD 4.500 . 5.500 2.806 2.174 3.030 . 0 0 "[ . 1]" 4
51 2 46 TYR H 2 46 TYR QD 4.000 . 5.000 2.178 1.916 2.376 . 0 0 "[ . 1]" 4
52 2 46 TYR H 2 46 TYR QE 4.500 . 5.500 4.151 3.881 4.342 . 0 0 "[ . 1]" 4
53 2 46 TYR HA 2 46 TYR QD 4.000 . 5.000 2.974 2.886 3.071 . 0 0 "[ . 1]" 4
54 2 46 TYR HB3 2 46 TYR QD 2.700 . 3.200 2.386 2.348 2.422 . 0 0 "[ . 1]" 4
55 2 46 TYR HB2 2 46 TYR QD 2.700 . 3.200 2.411 2.374 2.458 . 0 0 "[ . 1]" 4
56 2 17 CYS H 2 46 TYR QD 4.000 4.000 34.000 4.962 4.420 5.218 . 0 0 "[ . 1]" 4
57 2 30 LYS H 2 46 TYR QE 4.000 4.000 34.000 8.229 7.496 8.916 . 0 0 "[ . 1]" 4
58 2 31 GLY H 2 46 TYR QE 4.000 4.000 34.000 7.431 6.447 8.355 . 0 0 "[ . 1]" 4
59 2 44 CYS H 2 45 PHE QD 4.000 4.000 34.000 4.317 4.138 4.653 . 0 0 "[ . 1]" 4
60 2 5 GLU HA 2 49 THR MG 3.500 . 4.000 3.764 2.988 4.108 0.108 1 0 "[ . 1]" 4
61 2 6 THR MG 2 48 ASN H 4.500 . 5.500 4.753 4.396 5.075 . 0 0 "[ . 1]" 4
62 2 6 THR H 2 50 ILE MD 4.500 . 5.500 5.302 4.783 5.605 0.105 1 0 "[ . 1]" 4
63 2 9 VAL MG1 2 14 ARG H 4.000 . 5.000 3.291 2.694 4.250 . 0 0 "[ . 1]" 4
64 2 9 VAL MG1 2 14 ARG HA 3.500 . 4.000 2.287 1.384 4.003 0.003 10 0 "[ . 1]" 4
65 2 9 VAL MG1 2 14 ARG HG3 4.000 . 5.000 2.801 2.111 3.681 . 0 0 "[ . 1]" 4
66 2 9 VAL MG1 2 14 ARG HG2 4.000 . 5.000 2.568 1.830 3.731 . 0 0 "[ . 1]" 4
67 2 9 VAL MG1 2 14 ARG HE 4.500 . 5.500 3.754 3.404 4.364 . 0 0 "[ . 1]" 4
68 2 9 VAL MG2 2 14 ARG HE 4.000 . 5.000 4.850 4.595 5.008 0.008 6 0 "[ . 1]" 4
69 2 9 VAL MG1 2 15 GLN H 4.500 . 5.500 3.685 2.704 5.241 . 0 0 "[ . 1]" 4
70 2 9 VAL MG2 2 45 PHE HZ 4.000 . 5.000 3.821 2.949 4.672 . 0 0 "[ . 1]" 4
71 2 9 VAL MG2 2 47 PRO HA 4.000 . 5.000 3.894 2.750 4.862 . 0 0 "[ . 1]" 4
72 2 9 VAL MG2 2 48 ASN H 4.000 . 5.000 4.024 2.961 4.664 . 0 0 "[ . 1]" 4
73 2 9 VAL MG2 2 48 ASN HA 4.500 . 5.500 4.377 3.411 4.883 . 0 0 "[ . 1]" 4
74 2 9 VAL MG1 2 48 ASN QD 4.500 . 5.500 3.443 2.627 3.976 . 0 0 "[ . 1]" 4
75 2 9 VAL MG2 2 48 ASN QD 4.500 . 5.500 1.547 1.234 2.070 . 0 0 "[ . 1]" 4
76 2 11 PRO HB3 2 38 VAL MG1 4.000 . 5.000 2.384 1.617 2.729 . 0 0 "[ . 1]" 4
77 2 11 PRO HB2 2 41 VAL MG1 4.000 . 5.000 2.394 1.910 3.078 . 0 0 "[ . 1]" 4
78 2 11 PRO HB3 2 38 VAL MG2 4.500 . 5.500 3.510 2.954 4.392 . 0 0 "[ . 1]" 4
79 2 11 PRO HB2 2 41 VAL MG2 4.500 . 5.500 3.220 2.586 3.928 . 0 0 "[ . 1]" 4
80 2 12 ARG H 2 41 VAL MG1 4.500 . 5.500 3.861 3.054 4.177 . 0 0 "[ . 1]" 4
81 2 12 ARG HA 2 41 VAL MG1 4.500 . 5.500 3.277 2.935 3.909 . 0 0 "[ . 1]" 4
82 2 14 ARG HB2 2 41 VAL MG1 4.500 . 5.500 4.856 4.288 5.500 0.000 7 0 "[ . 1]" 4
83 2 22 VAL MG2 2 34 PHE HA 4.500 . 5.500 4.197 3.783 4.541 . 0 0 "[ . 1]" 4
84 2 22 VAL MG2 2 34 PHE HZ 4.000 . 5.000 4.136 3.719 4.719 . 0 0 "[ . 1]" 4
85 2 22 VAL MG2 2 43 TRP HE3 4.000 . 5.000 2.857 2.357 3.447 . 0 0 "[ . 1]" 4
86 2 22 VAL MG2 2 44 CYS H 4.000 . 5.000 2.015 1.374 2.659 . 0 0 "[ . 1]" 4
87 2 22 VAL MG2 2 44 CYS HA 4.000 . 5.000 3.394 3.027 3.735 . 0 0 "[ . 1]" 4
88 2 22 VAL MG2 2 44 CYS HB3 3.500 . 4.000 1.916 1.593 2.218 . 0 0 "[ . 1]" 4
89 2 22 VAL MG2 2 27 CYS HB3 4.000 . 5.000 4.505 4.216 4.669 . 0 0 "[ . 1]" 4
90 2 7 CYS HA 2 9 VAL MG2 3.500 . 4.000 3.212 2.792 3.523 . 0 0 "[ . 1]" 4
91 2 9 VAL MG1 2 13 GLU H 4.000 . 5.000 3.608 3.055 4.259 . 0 0 "[ . 1]" 4
92 2 9 VAL MG1 2 13 GLU HB2 4.000 . 5.000 2.577 1.563 3.302 . 0 0 "[ . 1]" 4
93 2 10 ALA MB 2 12 ARG H 3.500 . 4.000 2.863 2.491 3.606 . 0 0 "[ . 1]" 4
94 2 10 ALA MB 2 13 GLU H 3.500 . 4.000 2.371 2.199 2.847 . 0 0 "[ . 1]" 4
95 2 10 ALA MB 2 14 ARG H 4.500 . 5.500 4.012 3.569 4.635 . 0 0 "[ . 1]" 4
96 2 10 ALA MB 2 13 GLU HB3 4.000 . 5.000 3.523 2.999 4.832 . 0 0 "[ . 1]" 4
97 2 18 GLY HA2 2 22 VAL MG2 3.500 . 4.000 3.854 3.241 4.013 0.013 7 0 "[ . 1]" 4
98 2 18 GLY H 2 22 VAL MG2 4.000 . 5.000 4.712 4.598 5.001 0.001 2 0 "[ . 1]" 4
99 2 18 GLY H 2 22 VAL MG1 4.500 . 5.500 3.962 3.257 4.704 . 0 0 "[ . 1]" 4
100 2 19 PHE H 2 22 VAL MG2 4.000 . 5.000 3.818 3.569 4.403 . 0 0 "[ . 1]" 4
101 2 23 THR MG 2 25 SER H 4.500 . 5.500 4.564 4.341 4.784 . 0 0 "[ . 1]" 4
102 2 23 THR MG 2 26 GLN H 4.500 . 5.500 4.285 4.089 4.477 . 0 0 "[ . 1]" 4
103 2 23 THR MG 2 26 GLN QE 4.500 . 5.500 3.926 1.978 5.259 . 0 0 "[ . 1]" 4
104 2 26 GLN H 2 28 ALA MB 4.500 . 5.500 4.940 4.781 5.068 . 0 0 "[ . 1]" 4
105 2 28 ALA MB 2 32 CYS H 4.500 . 5.500 4.501 4.249 4.783 . 0 0 "[ . 1]" 4
106 2 38 VAL H 2 41 VAL MG2 4.500 . 5.500 4.015 3.526 4.673 . 0 0 "[ . 1]" 4
107 2 38 VAL HB 2 41 VAL MG2 3.500 . 4.000 2.329 1.791 2.798 . 0 0 "[ . 1]" 4
108 2 38 VAL MG1 2 41 VAL MG2 4.000 . 5.000 1.779 1.455 2.207 . 0 0 "[ . 1]" 4
109 2 38 VAL MG1 2 41 VAL H 4.000 . 5.000 3.019 2.701 3.476 . 0 0 "[ . 1]" 4
110 2 39 ARG H 2 41 VAL MG2 4.500 . 5.500 4.119 3.633 4.597 . 0 0 "[ . 1]" 4
111 2 41 VAL MG2 2 43 TRP HA 4.500 . 5.500 3.983 3.812 4.159 . 0 0 "[ . 1]" 4
112 2 41 VAL MG2 2 43 TRP HE1 4.500 . 5.500 4.105 3.710 4.616 . 0 0 "[ . 1]" 4
113 2 2 ALA MB 2 3 GLN H 4.000 . 5.000 2.776 1.713 3.687 . 0 0 "[ . 1]" 4
114 2 3 GLN QG 2 4 THR H 4.500 . 5.500 4.063 3.646 4.807 . 0 0 "[ . 1]" 4
115 2 3 GLN H 2 4 THR MG 4.000 . 5.000 4.090 3.036 5.161 0.161 5 0 "[ . 1]" 4
116 2 4 THR MG 2 5 GLU H 4.000 . 5.000 3.750 3.450 3.922 . 0 0 "[ . 1]" 4
117 2 6 THR MG 2 7 CYS H 4.000 . 5.000 1.620 1.267 1.944 . 0 0 "[ . 1]" 4
118 2 6 THR MG 2 7 CYS HA 4.500 . 5.500 3.528 3.417 3.599 . 0 0 "[ . 1]" 4
119 2 8 THR H 2 9 VAL MG2 4.500 . 5.500 3.551 2.993 3.906 . 0 0 "[ . 1]" 4
120 2 8 THR MG 2 9 VAL H 4.500 . 5.500 4.085 3.883 4.168 . 0 0 "[ . 1]" 4
121 2 9 VAL MG1 2 10 ALA H 3.500 . 4.000 1.594 1.308 1.923 . 0 0 "[ . 1]" 4
122 2 9 VAL MG2 2 10 ALA H 4.000 . 5.000 3.694 3.598 3.798 . 0 0 "[ . 1]" 4
123 2 10 ALA MB 2 11 PRO HA 4.000 . 5.000 4.668 4.477 4.761 . 0 0 "[ . 1]" 4
124 2 21 GLY H 2 22 VAL MG2 4.000 . 5.000 4.113 3.807 4.258 . 0 0 "[ . 1]" 4
125 2 22 VAL MG2 2 23 THR H 4.500 . 5.500 3.550 3.303 3.836 . 0 0 "[ . 1]" 4
126 2 22 VAL MG2 2 23 THR HA 4.000 . 5.000 3.758 3.612 3.941 . 0 0 "[ . 1]" 4
127 2 37 THR MG 2 38 VAL H 4.500 . 5.500 4.016 3.702 4.154 . 0 0 "[ . 1]" 4
128 2 37 THR H 2 38 VAL MG2 4.500 . 5.500 3.821 3.542 4.324 . 0 0 "[ . 1]" 4
129 2 38 VAL MG1 2 39 ARG H 2.700 . 3.200 2.842 2.363 3.147 . 0 0 "[ . 1]" 4
130 2 38 VAL MG2 2 39 ARG H 4.000 . 5.000 4.086 3.932 4.186 . 0 0 "[ . 1]" 4
131 2 41 VAL MG1 2 42 PRO HD3 4.000 . 5.000 3.806 3.695 3.925 . 0 0 "[ . 1]" 4
132 2 41 VAL MG2 2 42 PRO HD3 4.000 . 5.000 4.305 4.132 4.468 . 0 0 "[ . 1]" 4
133 2 49 THR HA 2 50 ILE QG 4.000 . 5.000 3.792 3.189 4.191 . 0 0 "[ . 1]" 4
134 2 49 THR MG 2 50 ILE H 4.000 . 5.000 3.565 2.607 4.305 . 0 0 "[ . 1]" 4
135 2 50 ILE MG 2 51 ASP H 4.000 . 5.000 2.018 1.576 2.618 . 0 0 "[ . 1]" 4
136 2 3 GLN QG 2 51 ASP HA 4.000 . 5.000 3.894 1.929 5.022 0.022 1 0 "[ . 1]" 4
137 2 6 THR H 2 48 ASN QB 4.000 . 5.000 3.426 2.345 4.342 . 0 0 "[ . 1]" 4
138 2 6 THR HA 2 48 ASN QD 4.500 . 5.500 4.711 3.322 5.507 0.007 9 0 "[ . 1]" 4
139 2 8 THR HA 2 48 ASN QD 4.500 . 5.500 5.059 4.018 5.504 0.004 4 0 "[ . 1]" 4
140 2 8 THR H 2 48 ASN QD 4.500 . 5.500 3.504 1.870 4.465 . 0 0 "[ . 1]" 4
141 2 9 VAL MG2 2 48 ASN QB 4.500 . 5.500 2.793 1.516 3.602 . 0 0 "[ . 1]" 4
142 2 9 VAL HA 2 48 ASN QD 4.500 . 5.500 3.912 3.204 4.784 . 0 0 "[ . 1]" 4
143 2 10 ALA H 2 48 ASN QD 4.500 . 5.500 5.367 4.612 5.517 0.017 6 0 "[ . 1]" 4
144 2 14 ARG HB3 2 42 PRO QG 3.500 . 4.000 3.580 3.206 3.908 . 0 0 "[ . 1]" 4
145 2 14 ARG HB2 2 42 PRO QG 3.500 . 4.000 3.053 2.460 3.579 . 0 0 "[ . 1]" 4
146 2 14 ARG HD3 2 42 PRO QG 4.000 . 5.000 4.464 3.911 4.999 . 0 0 "[ . 1]" 4
147 2 14 ARG HD2 2 42 PRO QG 4.000 . 5.000 4.038 3.285 4.975 . 0 0 "[ . 1]" 4
148 2 14 ARG QH1 2 35 ASP HB2 4.500 . 5.500 3.559 2.812 3.998 . 0 0 "[ . 1]" 4
149 2 15 GLN QB 2 46 TYR H 3.500 . 4.000 2.770 2.198 3.110 . 0 0 "[ . 1]" 4
150 2 16 ASN H 2 42 PRO QG 4.500 . 5.500 3.243 2.629 3.782 . 0 0 "[ . 1]" 4
151 2 16 ASN QD 2 43 TRP H 4.500 . 5.500 5.098 4.366 5.512 0.012 5 0 "[ . 1]" 4
152 2 18 GLY QA 2 44 CYS HB3 3.500 . 4.000 3.028 1.782 3.680 . 0 0 "[ . 1]" 4
153 2 24 PRO QG 2 34 PHE HZ 4.500 . 5.500 4.426 3.946 5.219 . 0 0 "[ . 1]" 4
154 2 32 CYS HA 2 47 PRO QD 4.000 . 5.000 2.676 2.051 3.457 . 0 0 "[ . 1]" 4
155 2 33 CYS H 2 47 PRO QD 4.000 . 5.000 3.227 2.359 3.893 . 0 0 "[ . 1]" 4
156 2 10 ALA MB 2 12 ARG QG 4.500 . 5.500 3.145 2.145 4.455 . 0 0 "[ . 1]" 4
157 2 13 GLU HA 2 15 GLN QE 4.500 . 5.500 5.270 4.527 5.528 0.028 10 0 "[ . 1]" 4
158 2 16 ASN QD 2 18 GLY H 4.000 . 5.000 2.185 1.214 3.281 . 0 0 "[ . 1]" 4
159 2 16 ASN QD 2 19 PHE HA 4.000 . 5.000 3.436 3.002 3.704 . 0 0 "[ . 1]" 4
160 2 22 VAL H 2 26 GLN QB 4.500 . 5.500 5.234 4.802 5.457 . 0 0 "[ . 1]" 4
161 2 23 THR H 2 26 GLN QG 3.500 . 4.000 3.043 2.165 3.469 . 0 0 "[ . 1]" 4
162 2 23 THR HG1 2 26 GLN QG 3.500 . 4.000 1.902 1.574 2.499 . 0 0 "[ . 1]" 4
163 2 25 SER HA 2 28 ALA MB 3.500 . 4.000 2.738 2.515 2.917 . 0 0 "[ . 1]" 4
164 2 25 SER QB 2 29 ASN H 4.500 . 5.500 4.975 4.603 5.217 . 0 0 "[ . 1]" 4
165 2 26 GLN HA 2 29 ASN HD22 4.500 . 5.500 5.480 5.367 5.509 0.009 2 0 "[ . 1]" 4
166 2 26 GLN HA 2 29 ASN QB 4.000 . 5.000 2.874 2.626 3.046 . 0 0 "[ . 1]" 4
167 2 28 ALA H 2 30 LYS QB 4.500 . 5.500 5.467 5.303 5.519 0.019 8 0 "[ . 1]" 4
168 2 29 ASN QB 2 31 GLY H 4.500 . 5.500 4.596 4.470 4.693 . 0 0 "[ . 1]" 4
169 2 30 LYS QG 2 32 CYS H 4.500 . 5.500 5.089 4.633 5.505 0.005 1 0 "[ . 1]" 4
170 2 39 ARG QB 2 43 TRP HE1 4.500 . 5.500 4.443 3.724 5.116 . 0 0 "[ . 1]" 4
171 2 39 ARG QG 2 43 TRP HZ2 4.000 . 5.000 3.717 2.854 5.001 0.001 4 0 "[ . 1]" 4
172 2 39 ARG QD 2 43 TRP HZ2 4.000 . 5.000 3.838 2.371 4.997 . 0 0 "[ . 1]" 4
173 2 42 PRO QG 2 45 PHE HB3 4.000 . 5.000 3.296 2.734 3.729 . 0 0 "[ . 1]" 4
174 2 48 ASN QB 2 50 ILE H 4.500 . 5.500 4.770 4.160 5.514 0.014 1 0 "[ . 1]" 4
175 2 1 GLU QB 2 2 ALA H 4.500 . 5.500 3.311 1.686 4.023 . 0 0 "[ . 1]" 4
176 2 5 GLU QG 2 6 THR H 4.500 . 5.500 4.068 3.725 4.487 . 0 0 "[ . 1]" 4
177 2 10 ALA H 2 11 PRO QD 4.500 . 5.500 4.263 4.060 4.397 . 0 0 "[ . 1]" 4
178 2 10 ALA MB 2 11 PRO QD 4.000 . 5.000 2.643 1.903 3.030 . 0 0 "[ . 1]" 4
179 2 10 ALA HA 2 11 PRO QD 2.300 . 2.800 1.950 1.911 2.033 . 0 0 "[ . 1]" 4
180 2 11 PRO QB 2 12 ARG H 3.500 . 4.000 2.622 1.851 3.094 . 0 0 "[ . 1]" 4
181 2 11 PRO QG 2 12 ARG H 4.000 . 5.000 3.896 3.573 4.045 . 0 0 "[ . 1]" 4
182 2 11 PRO QD 2 12 ARG H 3.500 . 4.000 3.052 2.818 3.265 . 0 0 "[ . 1]" 4
183 2 15 GLN QB 2 16 ASN H 4.500 . 5.500 3.918 3.662 4.041 . 0 0 "[ . 1]" 4
184 2 15 GLN QG 2 16 ASN H 4.500 . 5.500 4.035 3.441 4.869 . 0 0 "[ . 1]" 4
185 2 17 CYS H 2 18 GLY QA 4.500 . 5.500 3.842 3.786 3.936 . 0 0 "[ . 1]" 4
186 2 20 PRO QD 2 21 GLY H 4.500 . 5.500 2.759 2.636 2.978 . 0 0 "[ . 1]" 4
187 2 23 THR HA 2 24 PRO QB 4.500 . 5.500 4.910 4.834 4.966 . 0 0 "[ . 1]" 4
188 2 23 THR HA 2 24 PRO QD 3.500 . 4.000 2.255 2.166 2.381 . 0 0 "[ . 1]" 4
189 2 23 THR MG 2 24 PRO QG 4.500 . 5.500 4.438 4.215 4.550 . 0 0 "[ . 1]" 4
190 2 23 THR HB 2 24 PRO QD 3.500 . 4.000 1.424 1.251 1.548 . 0 0 "[ . 1]" 4
191 2 24 PRO QB 2 25 SER H 3.500 . 4.000 2.523 2.114 3.118 . 0 0 "[ . 1]" 4
192 2 25 SER H 2 26 GLN QG 4.000 . 5.000 4.071 3.898 4.330 . 0 0 "[ . 1]" 4
193 2 25 SER QB 2 26 GLN H 3.500 . 4.000 2.786 2.061 3.292 . 0 0 "[ . 1]" 4
194 2 26 GLN QG 2 27 CYS H 4.000 . 5.000 4.002 3.839 4.101 . 0 0 "[ . 1]" 4
195 2 27 CYS H 2 28 ALA MB 4.500 . 5.500 4.312 4.140 4.715 . 0 0 "[ . 1]" 4
196 2 28 ALA MB 2 29 ASN H 2.700 . 3.200 2.630 2.501 2.699 . 0 0 "[ . 1]" 4
197 2 30 LYS QG 2 31 GLY H 4.500 . 5.500 4.016 3.667 4.719 . 0 0 "[ . 1]" 4
198 2 39 ARG HA 2 40 GLY QA 4.500 . 5.500 4.122 3.995 4.199 . 0 0 "[ . 1]" 4
199 2 39 ARG QB 2 40 GLY H 2.700 . 3.200 2.282 1.894 2.995 . 0 0 "[ . 1]" 4
200 2 39 ARG QG 2 40 GLY H 4.500 . 5.500 3.735 1.356 4.409 . 0 0 "[ . 1]" 4
201 2 40 GLY QA 2 41 VAL H 3.500 . 4.000 2.724 2.575 2.901 . 0 0 "[ . 1]" 4
202 2 40 GLY QA 2 41 VAL MG1 4.500 . 5.500 3.461 3.281 3.622 . 0 0 "[ . 1]" 4
203 2 40 GLY QA 2 41 VAL MG2 4.500 . 5.500 4.107 4.029 4.173 . 0 0 "[ . 1]" 4
204 2 47 PRO HB2 2 48 ASN QD 4.500 . 5.500 4.603 4.204 5.503 0.003 2 0 "[ . 1]" 4
205 2 46 TYR H 2 47 PRO QD 4.500 . 5.500 4.368 4.307 4.395 . 0 0 "[ . 1]" 4
206 2 48 ASN QB 2 49 THR H 3.500 . 4.000 3.377 2.835 3.871 . 0 0 "[ . 1]" 4
207 2 52 VAL H 2 53 PRO QD 4.500 . 5.500 2.689 1.220 4.138 . 0 0 "[ . 1]" 4
208 2 52 VAL HA 2 53 PRO QD 2.700 . 3.200 2.407 1.824 3.216 0.016 3 0 "[ . 1]" 4
209 2 52 VAL MG1 2 53 PRO QD 4.500 . 5.500 3.563 2.510 4.092 . 0 0 "[ . 1]" 4
210 2 52 VAL MG2 2 53 PRO QD 4.500 . 5.500 3.693 3.075 4.094 . 0 0 "[ . 1]" 4
211 2 53 PRO HA 2 54 PRO QD 3.500 . 4.000 2.018 1.753 2.482 . 0 0 "[ . 1]" 4
212 2 54 PRO QD 2 55 GLU H 4.500 . 5.500 4.014 2.256 5.002 . 0 0 "[ . 1]" 4
213 2 3 GLN H 2 3 GLN QG 4.000 . 5.000 3.099 2.364 3.800 . 0 0 "[ . 1]" 4
214 2 3 GLN HA 2 3 GLN QG 3.500 . 4.000 2.611 2.350 3.021 . 0 0 "[ . 1]" 4
215 2 4 THR H 2 4 THR MG 4.000 . 5.000 2.913 1.695 3.210 . 0 0 "[ . 1]" 4
216 2 6 THR H 2 6 THR MG 3.500 . 4.000 3.926 3.843 3.949 . 0 0 "[ . 1]" 4
217 2 8 THR H 2 8 THR MG 3.500 . 4.000 1.940 1.906 2.050 . 0 0 "[ . 1]" 4
218 2 9 VAL H 2 9 VAL MG1 4.500 . 5.500 3.844 3.791 3.886 . 0 0 "[ . 1]" 4
219 2 9 VAL H 2 9 VAL MG2 2.700 . 3.200 2.617 2.317 2.823 . 0 0 "[ . 1]" 4
220 2 12 ARG H 2 12 ARG QG 2.700 . 3.200 2.338 1.951 3.060 . 0 0 "[ . 1]" 4
221 2 12 ARG H 2 12 ARG QD 4.500 . 5.500 3.455 1.184 4.326 . 0 0 "[ . 1]" 4
222 2 15 GLN H 2 15 GLN QG 4.000 . 5.000 3.717 2.438 4.032 . 0 0 "[ . 1]" 4
223 2 15 GLN QB 2 15 GLN HE22 4.500 . 5.500 3.724 3.150 4.420 . 0 0 "[ . 1]" 4
224 2 16 ASN H 2 16 ASN QD 4.500 . 5.500 4.261 4.089 4.489 . 0 0 "[ . 1]" 4
225 2 22 VAL H 2 22 VAL MG2 3.500 . 4.000 2.163 2.044 2.409 . 0 0 "[ . 1]" 4
226 2 23 THR H 2 23 THR MG 3.500 . 4.000 2.858 2.671 2.970 . 0 0 "[ . 1]" 4
227 2 25 SER H 2 25 SER QB 2.700 . 3.200 2.471 2.264 2.663 . 0 0 "[ . 1]" 4
228 2 26 GLN H 2 26 GLN QG 2.700 . 3.200 2.094 1.975 2.258 . 0 0 "[ . 1]" 4
229 2 28 ALA H 2 28 ALA MB 2.700 . 3.200 2.235 2.230 2.242 . 0 0 "[ . 1]" 4
230 2 29 ASN H 2 29 ASN QD 4.500 . 5.500 4.506 4.384 4.539 . 0 0 "[ . 1]" 4
231 2 30 LYS H 2 30 LYS QB 2.700 . 3.200 2.390 2.279 2.466 . 0 0 "[ . 1]" 4
232 2 30 LYS H 2 30 LYS QG 4.000 . 5.000 3.193 2.364 4.032 . 0 0 "[ . 1]" 4
233 2 37 THR H 2 37 THR MG 2.700 . 3.200 2.571 2.261 2.796 . 0 0 "[ . 1]" 4
234 2 38 VAL H 2 38 VAL MG1 4.000 . 5.000 3.850 3.778 3.909 . 0 0 "[ . 1]" 4
235 2 38 VAL H 2 38 VAL MG2 2.700 . 3.200 2.645 2.211 2.904 . 0 0 "[ . 1]" 4
236 2 39 ARG H 2 39 ARG QB 2.700 . 3.200 2.417 2.262 2.456 . 0 0 "[ . 1]" 4
237 2 39 ARG H 2 39 ARG QG 3.500 . 4.000 2.510 2.187 3.975 . 0 0 "[ . 1]" 4
238 2 41 VAL H 2 41 VAL MG1 2.700 . 3.200 2.505 2.240 2.926 . 0 0 "[ . 1]" 4
239 2 41 VAL H 2 41 VAL MG2 2.700 . 3.200 2.019 1.975 2.156 . 0 0 "[ . 1]" 4
240 2 48 ASN H 2 48 ASN QB 3.500 . 4.000 2.822 2.570 3.264 . 0 0 "[ . 1]" 4
241 2 49 THR H 2 49 THR MG 3.500 . 4.000 3.044 1.896 3.917 . 0 0 "[ . 1]" 4
242 2 52 VAL H 2 52 VAL MG2 2.700 . 3.200 2.414 1.971 3.056 . 0 0 "[ . 1]" 4
243 2 3 GLN HA 2 51 ASP HA 4.000 . 5.000 3.005 2.355 3.747 . 0 0 "[ . 1]" 4
244 2 3 GLN HA 2 51 ASP H 4.500 . 5.500 4.848 3.922 5.432 . 0 0 "[ . 1]" 4
245 2 3 GLN HA 2 52 VAL H 4.500 . 5.500 4.503 3.756 5.087 . 0 0 "[ . 1]" 4
246 2 4 THR H 2 50 ILE H 4.500 . 5.500 2.915 2.444 3.302 . 0 0 "[ . 1]" 4
247 2 4 THR H 2 50 ILE HA 4.000 . 5.000 4.715 3.933 5.082 0.082 5 0 "[ . 1]" 4
248 2 4 THR H 2 50 ILE HG13 4.500 . 5.500 5.420 5.182 5.510 0.010 10 0 "[ . 1]" 4
249 2 5 GLU HA 2 49 THR HA 3.500 . 4.000 2.654 2.206 4.031 0.031 1 0 "[ . 1]" 4
250 2 5 GLU HA 2 50 ILE H 4.500 . 5.500 3.834 2.872 4.862 . 0 0 "[ . 1]" 4
251 2 6 THR H 2 48 ASN H 3.500 . 4.000 2.195 1.315 3.914 . 0 0 "[ . 1]" 4
252 2 6 THR HA 2 48 ASN H 4.500 . 5.500 4.341 3.917 4.587 . 0 0 "[ . 1]" 4
253 2 6 THR HB 2 48 ASN H 4.000 . 5.000 4.160 3.659 5.080 0.080 1 0 "[ . 1]" 4
254 2 7 CYS H 2 48 ASN H 4.500 . 5.500 5.028 3.814 5.325 . 0 0 "[ . 1]" 4
255 2 7 CYS HA 2 33 CYS HB3 4.000 . 5.000 3.765 3.277 4.283 . 0 0 "[ . 1]" 4
256 2 7 CYS HA 2 45 PHE HZ 4.000 . 5.000 3.677 3.131 4.363 . 0 0 "[ . 1]" 4
257 2 7 CYS HB3 2 45 PHE HZ 3.500 . 4.000 3.222 2.346 3.997 . 0 0 "[ . 1]" 4
258 2 7 CYS HA 2 47 PRO HA 3.500 . 4.000 3.232 1.991 3.625 . 0 0 "[ . 1]" 4
259 2 7 CYS HA 2 47 PRO HB3 4.000 . 5.000 4.341 2.219 5.004 0.004 10 0 "[ . 1]" 4
260 2 7 CYS HA 2 48 ASN H 4.000 . 5.000 4.051 2.114 4.610 . 0 0 "[ . 1]" 4
261 2 7 CYS HB3 2 34 PHE H 4.500 . 5.500 4.459 4.169 4.950 . 0 0 "[ . 1]" 4
262 2 7 CYS HB2 2 34 PHE H 4.500 . 5.500 5.464 5.300 5.519 0.019 4 0 "[ . 1]" 4
263 2 9 VAL H 2 14 ARG HG2 4.500 . 5.500 4.088 3.386 4.743 . 0 0 "[ . 1]" 4
264 2 9 VAL H 2 14 ARG HE 4.500 . 5.500 3.792 3.189 4.291 . 0 0 "[ . 1]" 4
265 2 9 VAL HB 2 14 ARG HG2 4.000 . 5.000 2.174 1.560 2.899 . 0 0 "[ . 1]" 4
266 2 9 VAL HB 2 45 PHE HZ 4.500 . 5.500 3.631 2.758 5.169 . 0 0 "[ . 1]" 4
267 2 14 ARG HB3 2 42 PRO HD2 4.500 . 5.500 5.056 4.764 5.413 . 0 0 "[ . 1]" 4
268 2 14 ARG HB2 2 42 PRO HD2 3.500 . 4.000 3.794 3.511 3.945 . 0 0 "[ . 1]" 4
269 2 14 ARG HB3 2 45 PHE HA 4.500 . 5.500 4.919 4.595 5.219 . 0 0 "[ . 1]" 4
270 2 14 ARG HB3 2 46 TYR H 4.500 . 5.500 5.240 4.595 5.509 0.009 10 0 "[ . 1]" 4
271 2 15 GLN H 2 45 PHE HA 4.500 . 5.500 4.961 4.603 5.189 . 0 0 "[ . 1]" 4
272 2 15 GLN H 2 45 PHE HB2 4.000 . 5.000 2.749 2.369 3.342 . 0 0 "[ . 1]" 4
273 2 15 GLN H 2 46 TYR H 4.000 . 5.000 3.842 3.647 4.161 . 0 0 "[ . 1]" 4
274 2 15 GLN H 2 46 TYR HB2 4.500 . 5.500 4.269 3.925 4.742 . 0 0 "[ . 1]" 4
275 2 15 GLN HA 2 46 TYR H 4.500 . 5.500 4.793 4.366 4.962 . 0 0 "[ . 1]" 4
276 2 16 ASN H 2 45 PHE HA 4.500 . 5.500 4.739 4.474 4.925 . 0 0 "[ . 1]" 4
277 2 16 ASN HA 2 45 PHE HA 3.500 . 4.000 3.038 2.746 3.192 . 0 0 "[ . 1]" 4
278 2 17 CYS H 2 42 PRO HB3 4.500 . 5.500 4.442 4.022 4.895 . 0 0 "[ . 1]" 4
279 2 17 CYS H 2 42 PRO HB2 4.000 . 5.000 3.556 3.289 3.938 . 0 0 "[ . 1]" 4
280 2 17 CYS H 2 45 PHE HA 2.700 . 3.200 2.665 2.274 2.893 . 0 0 "[ . 1]" 4
281 2 17 CYS HA 2 45 PHE HA 3.500 . 4.000 3.868 3.645 4.003 0.003 2 0 "[ . 1]" 4
282 2 17 CYS H 2 45 PHE HB2 4.000 . 5.000 4.586 4.074 4.921 . 0 0 "[ . 1]" 4
283 2 17 CYS H 2 46 TYR H 4.500 . 5.500 4.655 3.858 4.977 . 0 0 "[ . 1]" 4
284 2 17 CYS HB2 2 33 CYS H 4.500 . 5.500 5.234 4.669 5.502 0.002 4 0 "[ . 1]" 4
285 2 17 CYS HB2 2 45 PHE H 4.500 . 5.500 4.397 4.065 5.144 . 0 0 "[ . 1]" 4
286 2 17 CYS HB2 2 45 PHE HA 2.700 . 3.200 2.357 2.062 2.812 . 0 0 "[ . 1]" 4
287 2 17 CYS HA 2 46 TYR H 4.000 . 5.000 4.618 4.237 5.008 0.008 1 0 "[ . 1]" 4
288 2 17 CYS HB2 2 46 TYR H 3.500 . 4.000 2.783 2.167 3.226 . 0 0 "[ . 1]" 4
289 2 18 GLY HA2 2 44 CYS H 4.500 . 5.500 5.078 3.957 5.501 0.001 5 0 "[ . 1]" 4
290 2 18 GLY H 2 42 PRO HB2 4.500 . 5.500 4.234 3.539 4.796 . 0 0 "[ . 1]" 4
291 2 18 GLY H 2 44 CYS H 4.500 . 5.500 4.873 4.363 5.136 . 0 0 "[ . 1]" 4
292 2 18 GLY H 2 45 PHE HA 4.000 . 5.000 4.324 3.691 4.652 . 0 0 "[ . 1]" 4
293 2 18 GLY HA2 2 44 CYS HB3 3.500 . 4.000 3.072 1.788 3.754 . 0 0 "[ . 1]" 4
294 2 19 PHE H 2 44 CYS HB3 4.000 . 5.000 4.251 3.718 4.731 . 0 0 "[ . 1]" 4
295 2 19 PHE HZ 2 26 GLN HB3 4.500 . 5.500 3.462 2.610 5.104 . 0 0 "[ . 1]" 4
296 2 19 PHE HZ 2 26 GLN HE22 4.000 . 5.000 2.851 1.578 5.005 0.005 7 0 "[ . 1]" 4
297 2 19 PHE HZ 2 26 GLN HE21 4.000 . 5.000 3.090 2.304 4.016 . 0 0 "[ . 1]" 4
298 2 22 VAL H 2 44 CYS HB3 4.500 . 5.500 5.180 4.938 5.500 . 0 0 "[ . 1]" 4
299 2 24 PRO HD3 2 34 PHE HZ 4.000 . 5.000 2.993 2.588 3.493 . 0 0 "[ . 1]" 4
300 2 27 CYS HB3 2 34 PHE H 4.500 . 5.500 5.401 4.852 5.508 0.008 5 0 "[ . 1]" 4
301 2 27 CYS H 2 44 CYS HB2 4.500 . 5.500 4.666 4.311 4.917 . 0 0 "[ . 1]" 4
302 2 28 ALA H 2 34 PHE HB2 4.500 . 5.500 4.599 4.157 5.110 . 0 0 "[ . 1]" 4
303 2 32 CYS HA 2 45 PHE H 4.500 . 5.500 5.188 4.956 5.496 . 0 0 "[ . 1]" 4
304 2 32 CYS HA 2 46 TYR HA 3.500 . 4.000 3.307 3.034 3.678 . 0 0 "[ . 1]" 4
305 2 33 CYS H 2 44 CYS HA 4.500 . 5.500 4.831 4.228 5.263 . 0 0 "[ . 1]" 4
306 2 33 CYS H 2 45 PHE H 3.500 . 4.000 3.422 2.831 3.731 . 0 0 "[ . 1]" 4
307 2 33 CYS HB2 2 45 PHE H 4.000 . 5.000 3.329 2.710 4.492 . 0 0 "[ . 1]" 4
308 2 33 CYS HB3 2 45 PHE H 4.500 . 5.500 4.561 4.116 5.511 0.011 1 0 "[ . 1]" 4
309 2 33 CYS HB3 2 45 PHE HZ 3.500 . 4.000 3.703 3.279 4.026 0.026 1 0 "[ . 1]" 4
310 2 33 CYS HB2 2 45 PHE HZ 3.500 . 4.000 3.668 3.352 3.974 . 0 0 "[ . 1]" 4
311 2 33 CYS HB2 2 46 TYR HA 4.500 . 5.500 4.956 4.590 5.169 . 0 0 "[ . 1]" 4
312 2 34 PHE H 2 44 CYS HA 4.500 . 5.500 4.672 4.435 5.084 . 0 0 "[ . 1]" 4
313 2 34 PHE H 2 45 PHE H 4.500 . 5.500 4.977 4.850 5.232 . 0 0 "[ . 1]" 4
314 2 34 PHE HA 2 45 PHE H 4.000 . 5.000 3.779 3.554 4.134 . 0 0 "[ . 1]" 4
315 2 34 PHE HA 2 44 CYS HA 2.300 . 2.800 2.434 2.185 2.724 . 0 0 "[ . 1]" 4
316 2 34 PHE HA 2 43 TRP HA 4.500 . 5.500 4.613 4.238 4.899 . 0 0 "[ . 1]" 4
317 2 34 PHE HZ 2 43 TRP HE3 2.700 . 3.200 3.122 2.675 3.208 0.008 9 0 "[ . 1]" 4
318 2 34 PHE HZ 2 43 TRP HB3 4.000 . 5.000 4.119 3.226 4.848 . 0 0 "[ . 1]" 4
319 2 34 PHE HZ 2 43 TRP HB2 4.000 . 5.000 4.546 3.952 5.004 0.004 4 0 "[ . 1]" 4
320 2 34 PHE HB3 2 44 CYS HA 4.500 . 5.500 5.155 4.900 5.506 0.006 1 0 "[ . 1]" 4
321 2 35 ASP H 2 44 CYS HA 4.000 . 5.000 3.652 3.400 4.040 . 0 0 "[ . 1]" 4
322 2 35 ASP H 2 43 TRP HA 3.500 . 4.000 3.023 2.731 3.300 . 0 0 "[ . 1]" 4
323 2 35 ASP H 2 43 TRP HB3 4.000 . 5.000 2.628 2.174 3.354 . 0 0 "[ . 1]" 4
324 2 35 ASP H 2 43 TRP HD1 4.500 . 5.500 4.755 4.176 5.317 . 0 0 "[ . 1]" 4
325 2 35 ASP H 2 45 PHE H 4.000 . 5.000 4.803 4.327 4.984 . 0 0 "[ . 1]" 4
326 2 35 ASP HB2 2 45 PHE HZ 3.500 . 4.000 3.771 2.767 4.006 0.006 2 0 "[ . 1]" 4
327 2 36 ASP HA 2 43 TRP HE3 4.000 . 5.000 4.300 3.043 5.000 . 0 0 "[ . 1]" 4
328 2 36 ASP HB2 2 43 TRP HE3 4.000 . 5.000 4.139 3.193 5.004 0.004 3 0 "[ . 1]" 4
329 2 36 ASP HA 2 43 TRP HE1 4.000 . 5.000 3.361 2.798 4.207 . 0 0 "[ . 1]" 4
330 2 37 THR H 2 43 TRP HD1 4.500 . 5.500 4.248 3.343 4.909 . 0 0 "[ . 1]" 4
331 2 4 THR H 2 50 ILE HB 4.000 4.000 34.000 4.230 3.972 4.749 0.028 6 0 "[ . 1]" 4
332 2 5 GLU H 2 50 ILE HB 4.000 4.000 34.000 6.325 3.951 7.806 0.049 1 0 "[ . 1]" 4
333 2 7 CYS H 2 48 ASN HA 4.000 4.000 34.000 7.593 6.146 8.025 . 0 0 "[ . 1]" 4
334 2 17 CYS H 2 44 CYS H 4.000 4.000 34.000 4.642 4.314 4.998 . 0 0 "[ . 1]" 4
335 2 6 THR HA 2 8 THR H 4.000 . 5.000 4.104 3.890 4.454 . 0 0 "[ . 1]" 4
336 2 7 CYS HA 2 9 VAL H 4.500 . 5.500 4.208 3.630 4.787 . 0 0 "[ . 1]" 4
337 2 7 CYS HB3 2 9 VAL H 4.500 . 5.500 4.836 4.554 5.038 . 0 0 "[ . 1]" 4
338 2 7 CYS HB2 2 9 VAL H 4.500 . 5.500 5.423 5.267 5.506 0.006 5 0 "[ . 1]" 4
339 2 10 ALA HA 2 12 ARG H 4.500 . 5.500 4.015 3.731 4.677 . 0 0 "[ . 1]" 4
340 2 10 ALA H 2 13 GLU H 4.500 . 5.500 4.013 3.580 4.809 . 0 0 "[ . 1]" 4
341 2 10 ALA H 2 13 GLU HB3 4.000 . 5.000 4.252 3.267 5.001 0.001 1 0 "[ . 1]" 4
342 2 10 ALA H 2 13 GLU HB2 4.000 . 5.000 2.815 1.820 3.594 . 0 0 "[ . 1]" 4
343 2 11 PRO HA 2 13 GLU H 4.500 . 5.500 4.418 4.203 4.597 . 0 0 "[ . 1]" 4
344 2 11 PRO HA 2 14 ARG H 4.500 . 5.500 3.866 3.386 4.718 . 0 0 "[ . 1]" 4
345 2 11 PRO HA 2 14 ARG HD2 2.700 . 3.200 1.817 1.598 2.584 . 0 0 "[ . 1]" 4
346 2 11 PRO HA 2 14 ARG HE 4.000 . 5.000 2.904 2.327 3.701 . 0 0 "[ . 1]" 4
347 2 12 ARG H 2 14 ARG H 4.500 . 5.500 3.795 3.553 4.273 . 0 0 "[ . 1]" 4
348 2 12 ARG HA 2 14 ARG H 4.500 . 5.500 3.879 3.321 4.245 . 0 0 "[ . 1]" 4
349 2 19 PHE H 2 22 VAL H 4.000 . 5.000 4.082 3.531 4.999 . 0 0 "[ . 1]" 4
350 2 19 PHE HB3 2 22 VAL H 4.500 . 5.500 5.032 4.534 5.321 . 0 0 "[ . 1]" 4
351 2 22 VAL HB 2 27 CYS H 3.500 . 4.000 3.641 2.934 3.945 . 0 0 "[ . 1]" 4
352 2 22 VAL HB 2 26 GLN H 4.500 . 5.500 5.332 4.973 5.506 0.006 1 0 "[ . 1]" 4
353 2 23 THR H 2 26 GLN H 4.000 . 5.000 3.420 3.165 3.665 . 0 0 "[ . 1]" 4
354 2 23 THR H 2 26 GLN HB2 2.700 . 3.200 1.663 1.400 1.934 . 0 0 "[ . 1]" 4
355 2 23 THR H 2 26 GLN HB3 3.500 . 4.000 3.174 2.782 3.545 . 0 0 "[ . 1]" 4
356 2 23 THR H 2 27 CYS H 3.500 . 4.000 3.193 2.860 3.800 . 0 0 "[ . 1]" 4
357 2 23 THR H 2 27 CYS HB2 4.000 . 5.000 4.007 3.588 4.670 . 0 0 "[ . 1]" 4
358 2 23 THR HG1 2 26 GLN H 4.500 . 5.500 2.269 1.496 3.067 . 0 0 "[ . 1]" 4
359 2 25 SER H 2 27 CYS H 4.000 . 5.000 4.104 3.695 4.889 . 0 0 "[ . 1]" 4
360 2 25 SER H 2 28 ALA H 4.500 . 5.500 4.818 4.571 5.037 . 0 0 "[ . 1]" 4
361 2 25 SER HA 2 28 ALA H 3.500 . 4.000 3.779 3.536 4.001 0.001 2 0 "[ . 1]" 4
362 2 25 SER HA 2 29 ASN H 4.000 . 5.000 4.064 3.663 4.666 . 0 0 "[ . 1]" 4
363 2 26 GLN H 2 28 ALA H 4.500 . 5.500 4.514 4.126 4.829 . 0 0 "[ . 1]" 4
364 2 26 GLN HA 2 29 ASN H 3.500 . 4.000 3.789 3.307 4.007 0.007 6 0 "[ . 1]" 4
365 2 26 GLN HA 2 30 LYS H 4.500 . 5.500 5.248 4.835 5.491 . 0 0 "[ . 1]" 4
366 2 27 CYS HA 2 30 LYS H 4.000 . 5.000 3.560 3.386 3.846 . 0 0 "[ . 1]" 4
367 2 27 CYS HA 2 31 GLY H 4.500 . 5.500 4.469 4.199 4.934 . 0 0 "[ . 1]" 4
368 2 27 CYS HA 2 32 CYS H 4.000 . 5.000 4.598 4.256 4.816 . 0 0 "[ . 1]" 4
369 2 27 CYS HB3 2 29 ASN H 4.500 . 5.500 4.726 4.616 4.906 . 0 0 "[ . 1]" 4
370 2 28 ALA H 2 30 LYS H 4.500 . 5.500 4.291 4.205 4.385 . 0 0 "[ . 1]" 4
371 2 28 ALA HA 2 30 LYS H 4.500 . 5.500 3.902 3.697 4.165 . 0 0 "[ . 1]" 4
372 2 28 ALA HA 2 31 GLY H 3.500 . 4.000 2.800 2.610 2.982 . 0 0 "[ . 1]" 4
373 2 28 ALA HA 2 32 CYS H 3.500 . 4.000 2.961 2.635 3.269 . 0 0 "[ . 1]" 4
374 2 29 ASN HA 2 31 GLY H 4.000 . 5.000 4.487 4.062 4.774 . 0 0 "[ . 1]" 4
375 2 29 ASN H 2 31 GLY H 4.000 . 5.000 3.934 3.751 4.085 . 0 0 "[ . 1]" 4
376 2 34 PHE HZ 2 36 ASP HB3 3.500 . 4.000 2.434 1.675 3.321 . 0 0 "[ . 1]" 4
377 2 34 PHE HZ 2 36 ASP HB2 4.500 . 5.500 3.722 2.953 4.570 . 0 0 "[ . 1]" 4
378 2 35 ASP HA 2 37 THR H 4.000 . 5.000 3.624 3.049 4.071 . 0 0 "[ . 1]" 4
379 2 36 ASP HA 2 38 VAL H 4.000 . 5.000 3.618 3.066 4.703 . 0 0 "[ . 1]" 4
380 2 38 VAL HB 2 41 VAL H 4.000 . 5.000 4.623 4.171 4.933 . 0 0 "[ . 1]" 4
381 2 38 VAL H 2 43 TRP HE1 4.500 . 5.500 3.950 3.202 5.347 . 0 0 "[ . 1]" 4
382 2 39 ARG H 2 41 VAL H 4.500 . 5.500 4.530 4.250 4.748 . 0 0 "[ . 1]" 4
383 2 39 ARG HA 2 41 VAL H 3.500 . 4.000 3.496 2.926 3.883 . 0 0 "[ . 1]" 4
384 2 39 ARG HA 2 43 TRP HE1 2.700 . 3.200 2.516 1.838 3.113 . 0 0 "[ . 1]" 4
385 2 39 ARG H 2 43 TRP HE1 4.500 . 5.500 4.448 4.022 4.954 . 0 0 "[ . 1]" 4
386 2 39 ARG HA 2 43 TRP HZ2 3.500 . 4.000 3.804 3.562 4.012 0.012 1 0 "[ . 1]" 4
387 2 40 GLY H 2 43 TRP HE1 4.500 . 5.500 4.523 3.721 5.085 . 0 0 "[ . 1]" 4
388 2 41 VAL H 2 43 TRP HE1 4.500 . 5.500 4.710 4.166 5.499 . 0 0 "[ . 1]" 4
389 2 42 PRO HA 2 44 CYS H 4.000 . 5.000 4.040 3.596 4.323 . 0 0 "[ . 1]" 4
390 2 42 PRO HB2 2 44 CYS H 4.000 . 5.000 3.577 2.857 4.020 . 0 0 "[ . 1]" 4
391 2 42 PRO HB2 2 45 PHE HA 4.500 . 5.500 4.608 4.117 4.866 . 0 0 "[ . 1]" 4
392 2 47 PRO HB2 2 49 THR H 4.500 . 5.500 4.690 3.400 5.488 . 0 0 "[ . 1]" 4
393 2 1 GLU HA 2 2 ALA H 3.500 . 4.000 2.799 2.234 3.570 . 0 0 "[ . 1]" 4
394 2 2 ALA HA 2 3 GLN H 2.700 . 3.200 2.653 2.141 3.205 0.005 6 0 "[ . 1]" 4
395 2 3 GLN HA 2 4 THR H 2.700 . 3.200 2.345 2.155 2.551 . 0 0 "[ . 1]" 4
396 2 3 GLN HB3 2 4 THR H 4.000 . 5.000 2.650 2.111 3.567 . 0 0 "[ . 1]" 4
397 2 3 GLN HB2 2 4 THR H 4.000 . 5.000 3.754 3.365 4.302 . 0 0 "[ . 1]" 4
398 2 4 THR H 2 5 GLU H 4.000 . 5.000 4.285 4.150 4.397 . 0 0 "[ . 1]" 4
399 2 4 THR HB 2 5 GLU H 2.700 . 3.200 2.601 1.703 3.163 . 0 0 "[ . 1]" 4
400 2 5 GLU HA 2 6 THR H 2.700 . 3.200 2.275 2.131 2.681 . 0 0 "[ . 1]" 4
401 2 5 GLU HB2 2 6 THR H 4.000 . 5.000 3.888 3.002 4.245 . 0 0 "[ . 1]" 4
402 2 5 GLU HB3 2 6 THR H 3.500 . 4.000 2.857 1.859 3.385 . 0 0 "[ . 1]" 4
403 2 5 GLU H 2 6 THR H 4.000 . 5.000 4.520 4.462 4.584 . 0 0 "[ . 1]" 4
404 2 6 THR H 2 7 CYS H 4.000 . 5.000 4.413 4.384 4.496 . 0 0 "[ . 1]" 4
405 2 6 THR HA 2 7 CYS H 2.700 . 3.200 2.460 2.341 2.596 . 0 0 "[ . 1]" 4
406 2 6 THR HB 2 7 CYS H 4.000 . 5.000 3.469 3.145 3.717 . 0 0 "[ . 1]" 4
407 2 7 CYS HA 2 8 THR H 3.500 . 4.000 3.149 2.799 3.459 . 0 0 "[ . 1]" 4
408 2 7 CYS H 2 8 THR H 3.500 . 4.000 2.337 1.878 2.665 . 0 0 "[ . 1]" 4
409 2 7 CYS HB2 2 8 THR H 4.000 . 5.000 3.710 3.003 4.229 . 0 0 "[ . 1]" 4
410 2 8 THR H 2 9 VAL H 4.000 . 5.000 3.753 3.016 4.160 . 0 0 "[ . 1]" 4
411 2 8 THR HA 2 9 VAL H 2.700 . 3.200 2.418 2.240 2.692 . 0 0 "[ . 1]" 4
412 2 9 VAL H 2 10 ALA H 4.500 . 5.500 4.490 4.428 4.571 . 0 0 "[ . 1]" 4
413 2 9 VAL HA 2 10 ALA H 2.300 . 2.800 2.465 2.334 2.588 . 0 0 "[ . 1]" 4
414 2 9 VAL HB 2 10 ALA H 4.000 . 5.000 3.428 3.199 3.682 . 0 0 "[ . 1]" 4
415 2 10 ALA HA 2 11 PRO HA 4.000 . 5.000 4.430 4.376 4.480 . 0 0 "[ . 1]" 4
416 2 11 PRO HA 2 12 ARG H 4.000 . 5.000 3.521 3.439 3.565 . 0 0 "[ . 1]" 4
417 2 12 ARG H 2 13 GLU H 2.700 . 3.200 2.339 2.240 2.727 . 0 0 "[ . 1]" 4
418 2 12 ARG HA 2 13 GLU H 3.500 . 4.000 3.484 3.482 3.486 . 0 0 "[ . 1]" 4
419 2 13 GLU H 2 14 ARG HB2 4.500 . 5.500 4.661 4.477 4.907 . 0 0 "[ . 1]" 4
420 2 13 GLU H 2 14 ARG HG3 4.000 . 5.000 3.466 3.249 3.626 . 0 0 "[ . 1]" 4
421 2 13 GLU H 2 14 ARG H 2.700 . 3.200 2.427 2.180 2.835 . 0 0 "[ . 1]" 4
422 2 13 GLU H 2 14 ARG HE 4.500 . 5.500 5.392 4.988 5.508 0.008 10 0 "[ . 1]" 4
423 2 13 GLU HA 2 14 ARG H 3.500 . 4.000 3.222 2.872 3.428 . 0 0 "[ . 1]" 4
424 2 13 GLU HB2 2 14 ARG H 4.500 . 5.500 3.582 3.103 4.154 . 0 0 "[ . 1]" 4
425 2 14 ARG H 2 15 GLN H 4.500 . 5.500 4.499 4.219 4.619 . 0 0 "[ . 1]" 4
426 2 14 ARG HA 2 15 GLN H 2.300 . 2.800 2.184 2.139 2.270 . 0 0 "[ . 1]" 4
427 2 14 ARG HB2 2 15 GLN H 4.000 . 5.000 4.165 3.870 4.450 . 0 0 "[ . 1]" 4
428 2 14 ARG HB3 2 15 GLN H 4.000 . 5.000 3.256 2.773 3.926 . 0 0 "[ . 1]" 4
429 2 14 ARG HG3 2 15 GLN H 4.500 . 5.500 5.089 4.984 5.201 . 0 0 "[ . 1]" 4
430 2 15 GLN HA 2 16 ASN H 2.300 . 2.800 2.235 2.181 2.339 . 0 0 "[ . 1]" 4
431 2 16 ASN H 2 17 CYS H 4.500 . 5.500 4.600 4.543 4.641 . 0 0 "[ . 1]" 4
432 2 16 ASN HA 2 17 CYS H 3.500 . 4.000 2.230 2.165 2.271 . 0 0 "[ . 1]" 4
433 2 16 ASN HB2 2 17 CYS H 4.500 . 5.500 4.046 3.942 4.169 . 0 0 "[ . 1]" 4
434 2 17 CYS H 2 18 GLY H 2.700 . 3.200 1.778 1.657 1.879 . 0 0 "[ . 1]" 4
435 2 17 CYS HA 2 18 GLY H 2.700 . 3.200 3.217 3.203 3.235 0.035 9 0 "[ . 1]" 4
436 2 17 CYS HB2 2 18 GLY H 4.000 . 5.000 4.416 4.391 4.445 . 0 0 "[ . 1]" 4
437 2 18 GLY H 2 19 PHE H 4.000 . 5.000 4.013 3.844 4.089 . 0 0 "[ . 1]" 4
438 2 18 GLY HA2 2 19 PHE H 2.700 . 3.200 2.378 2.152 3.227 0.027 4 0 "[ . 1]" 4
439 2 19 PHE H 2 20 PRO HD3 4.500 . 5.500 5.142 5.089 5.197 . 0 0 "[ . 1]" 4
440 2 19 PHE HA 2 20 PRO HA 4.500 . 5.500 4.383 4.370 4.396 . 0 0 "[ . 1]" 4
441 2 19 PHE HA 2 20 PRO HD3 2.300 . 2.800 2.481 2.408 2.572 . 0 0 "[ . 1]" 4
442 2 19 PHE HA 2 20 PRO HD2 3.500 . 4.000 2.628 2.420 2.773 . 0 0 "[ . 1]" 4
443 2 20 PRO HB2 2 21 GLY H 4.500 . 5.500 3.409 2.582 3.737 . 0 0 "[ . 1]" 4
444 2 20 PRO HB3 2 21 GLY H 4.000 . 5.000 4.206 3.745 4.418 . 0 0 "[ . 1]" 4
445 2 21 GLY HA2 2 22 VAL H 4.000 . 5.000 3.281 3.071 3.493 . 0 0 "[ . 1]" 4
446 2 21 GLY HA3 2 22 VAL H 4.000 . 5.000 3.249 2.961 3.437 . 0 0 "[ . 1]" 4
447 2 22 VAL H 2 23 THR H 4.000 . 5.000 4.625 4.579 4.646 . 0 0 "[ . 1]" 4
448 2 22 VAL HA 2 23 THR H 2.300 . 2.800 2.315 2.184 2.428 . 0 0 "[ . 1]" 4
449 2 22 VAL HB 2 23 THR HA 4.000 . 5.000 4.491 4.400 4.655 . 0 0 "[ . 1]" 4
450 2 24 PRO HD2 2 25 SER H 4.000 . 5.000 2.952 2.832 3.163 . 0 0 "[ . 1]" 4
451 2 24 PRO HA 2 25 SER H 4.000 . 5.000 3.558 3.524 3.574 . 0 0 "[ . 1]" 4
452 2 25 SER H 2 26 GLN H 2.700 . 3.200 2.583 2.461 2.859 . 0 0 "[ . 1]" 4
453 2 25 SER HA 2 26 GLN H 4.000 . 5.000 3.546 3.471 3.569 . 0 0 "[ . 1]" 4
454 2 26 GLN H 2 27 CYS H 2.700 . 3.200 2.785 2.485 3.199 . 0 0 "[ . 1]" 4
455 2 26 GLN H 2 27 CYS HB2 4.500 . 5.500 5.158 4.882 5.410 . 0 0 "[ . 1]" 4
456 2 26 GLN HA 2 27 CYS H 4.000 . 5.000 3.532 3.495 3.567 . 0 0 "[ . 1]" 4
457 2 26 GLN HB2 2 27 CYS H 3.500 . 4.000 2.554 1.953 2.835 . 0 0 "[ . 1]" 4
458 2 26 GLN HB3 2 27 CYS H 4.000 . 5.000 3.603 2.973 3.847 . 0 0 "[ . 1]" 4
459 2 27 CYS H 2 28 ALA H 2.700 . 3.200 2.767 2.526 3.161 . 0 0 "[ . 1]" 4
460 2 27 CYS HA 2 28 ALA H 4.000 . 5.000 3.566 3.536 3.573 . 0 0 "[ . 1]" 4
461 2 27 CYS HB3 2 28 ALA H 3.500 . 4.000 2.259 2.020 2.591 . 0 0 "[ . 1]" 4
462 2 27 CYS HB2 2 28 ALA H 4.000 . 5.000 3.682 3.546 3.860 . 0 0 "[ . 1]" 4
463 2 28 ALA H 2 29 ASN HA 4.500 . 5.500 5.381 5.143 5.492 . 0 0 "[ . 1]" 4
464 2 28 ALA HA 2 29 ASN H 3.500 . 4.000 3.519 3.507 3.541 . 0 0 "[ . 1]" 4
465 2 29 ASN H 2 30 LYS H 2.700 . 3.200 2.780 2.715 2.831 . 0 0 "[ . 1]" 4
466 2 29 ASN HA 2 30 LYS H 3.500 . 4.000 3.506 3.475 3.536 . 0 0 "[ . 1]" 4
467 2 30 LYS H 2 31 GLY H 2.700 . 3.200 2.217 2.096 2.363 . 0 0 "[ . 1]" 4
468 2 30 LYS H 2 31 GLY HA3 4.000 . 5.000 4.486 4.385 4.607 . 0 0 "[ . 1]" 4
469 2 30 LYS HA 2 31 GLY H 3.500 . 4.000 3.480 3.374 3.537 . 0 0 "[ . 1]" 4
470 2 31 GLY H 2 32 CYS H 2.300 . 2.800 2.474 2.160 2.676 . 0 0 "[ . 1]" 4
471 2 31 GLY HA2 2 32 CYS H 3.500 . 4.000 3.553 3.462 3.569 . 0 0 "[ . 1]" 4
472 2 31 GLY HA3 2 32 CYS H 3.500 . 4.000 2.660 2.500 3.025 . 0 0 "[ . 1]" 4
473 2 31 GLY H 2 32 CYS HB2 4.500 . 5.500 4.432 4.195 4.676 . 0 0 "[ . 1]" 4
474 2 32 CYS HB2 2 33 CYS H 4.000 . 5.000 3.531 3.334 3.804 . 0 0 "[ . 1]" 4
475 2 32 CYS H 2 33 CYS H 4.000 . 5.000 4.433 4.382 4.550 . 0 0 "[ . 1]" 4
476 2 32 CYS HA 2 33 CYS H 2.700 . 3.200 2.458 2.321 2.572 . 0 0 "[ . 1]" 4
477 2 32 CYS HB3 2 33 CYS H 2.700 . 3.200 2.310 2.068 2.626 . 0 0 "[ . 1]" 4
478 2 33 CYS HA 2 34 PHE H 2.300 . 2.800 2.287 2.175 2.324 . 0 0 "[ . 1]" 4
479 2 33 CYS HA 2 34 PHE HA 4.500 . 5.500 4.422 4.342 4.444 . 0 0 "[ . 1]" 4
480 2 33 CYS HB2 2 34 PHE H 4.000 . 5.000 3.854 3.773 4.124 . 0 0 "[ . 1]" 4
481 2 33 CYS HB3 2 34 PHE H 3.500 . 4.000 2.745 2.628 3.132 . 0 0 "[ . 1]" 4
482 2 34 PHE H 2 35 ASP H 4.000 . 5.000 4.247 4.147 4.585 . 0 0 "[ . 1]" 4
483 2 34 PHE HA 2 35 ASP H 2.300 . 2.800 2.160 2.138 2.294 . 0 0 "[ . 1]" 4
484 2 34 PHE HA 2 35 ASP HA 4.500 . 5.500 4.408 4.386 4.516 . 0 0 "[ . 1]" 4
485 2 34 PHE HB2 2 35 ASP H 4.000 . 5.000 4.267 3.901 4.400 . 0 0 "[ . 1]" 4
486 2 34 PHE HB3 2 35 ASP H 4.000 . 5.000 4.239 3.828 4.365 . 0 0 "[ . 1]" 4
487 2 35 ASP H 2 36 ASP H 4.000 . 5.000 3.653 3.112 4.009 . 0 0 "[ . 1]" 4
488 2 35 ASP HA 2 36 ASP H 2.300 . 2.800 2.255 2.155 2.339 . 0 0 "[ . 1]" 4
489 2 35 ASP HB3 2 36 ASP H 4.000 . 5.000 4.469 4.400 4.492 . 0 0 "[ . 1]" 4
490 2 36 ASP HA 2 37 THR H 3.500 . 4.000 2.835 2.576 3.211 . 0 0 "[ . 1]" 4
491 2 37 THR H 2 38 VAL H 2.700 . 3.200 2.190 1.915 2.596 . 0 0 "[ . 1]" 4
492 2 37 THR H 2 38 VAL HB 4.500 . 5.500 4.472 4.163 4.824 . 0 0 "[ . 1]" 4
493 2 37 THR HA 2 38 VAL H 3.500 . 4.000 3.417 3.308 3.571 . 0 0 "[ . 1]" 4
494 2 38 VAL H 2 39 ARG H 4.500 . 5.500 4.266 4.016 4.557 . 0 0 "[ . 1]" 4
495 2 38 VAL HA 2 39 ARG H 2.300 . 2.800 2.157 2.139 2.200 . 0 0 "[ . 1]" 4
496 2 39 ARG H 2 40 GLY H 4.500 . 5.500 4.543 4.490 4.600 . 0 0 "[ . 1]" 4
497 2 39 ARG H 2 40 GLY HA2 4.500 . 5.500 5.388 5.264 5.497 . 0 0 "[ . 1]" 4
498 2 39 ARG HA 2 40 GLY H 2.700 . 3.200 2.532 2.274 2.698 . 0 0 "[ . 1]" 4
499 2 40 GLY H 2 41 VAL H 3.500 . 4.000 3.252 2.935 3.570 . 0 0 "[ . 1]" 4
500 2 41 VAL HA 2 42 PRO HA 4.000 . 5.000 4.403 4.398 4.407 . 0 0 "[ . 1]" 4
501 2 41 VAL H 2 42 PRO HD2 4.500 . 5.500 4.762 4.673 4.818 . 0 0 "[ . 1]" 4
502 2 41 VAL HA 2 42 PRO HD3 2.300 . 2.800 2.398 2.318 2.506 . 0 0 "[ . 1]" 4
503 2 41 VAL HA 2 42 PRO HD2 3.500 . 4.000 2.533 2.384 2.664 . 0 0 "[ . 1]" 4
504 2 42 PRO HA 2 43 TRP H 2.700 . 3.200 2.175 2.154 2.228 . 0 0 "[ . 1]" 4
505 2 42 PRO HB2 2 43 TRP H 4.000 . 5.000 3.457 3.135 3.719 . 0 0 "[ . 1]" 4
506 2 43 TRP H 2 44 CYS H 3.500 . 4.000 2.510 2.268 2.722 . 0 0 "[ . 1]" 4
507 2 43 TRP HA 2 44 CYS H 3.500 . 4.000 3.534 3.414 3.570 . 0 0 "[ . 1]" 4
508 2 43 TRP H 2 44 CYS HA 4.500 . 5.500 5.148 4.969 5.324 . 0 0 "[ . 1]" 4
509 2 43 TRP H 2 44 CYS HB3 4.500 . 5.500 4.799 4.555 5.066 . 0 0 "[ . 1]" 4
510 2 43 TRP HB2 2 44 CYS H 4.000 . 5.000 2.581 2.318 3.146 . 0 0 "[ . 1]" 4
511 2 44 CYS H 2 45 PHE H 4.000 . 5.000 4.380 4.230 4.462 . 0 0 "[ . 1]" 4
512 2 44 CYS HA 2 45 PHE H 2.300 . 2.800 2.149 2.139 2.186 . 0 0 "[ . 1]" 4
513 2 44 CYS HA 2 45 PHE HA 4.000 . 5.000 4.397 4.387 4.405 . 0 0 "[ . 1]" 4
514 2 44 CYS HB3 2 45 PHE H 4.000 . 5.000 4.300 4.234 4.443 . 0 0 "[ . 1]" 4
515 2 45 PHE H 2 46 TYR H 4.500 . 5.500 4.408 4.359 4.461 . 0 0 "[ . 1]" 4
516 2 46 TYR HA 2 47 PRO HD2 3.500 . 4.000 2.427 2.317 2.564 . 0 0 "[ . 1]" 4
517 2 46 TYR HA 2 47 PRO HD3 2.700 . 3.200 2.266 1.894 2.440 . 0 0 "[ . 1]" 4
518 2 47 PRO HA 2 48 ASN H 2.300 . 2.800 2.561 2.358 2.647 . 0 0 "[ . 1]" 4
519 2 47 PRO HB2 2 48 ASN H 2.700 . 3.200 2.246 2.042 2.717 . 0 0 "[ . 1]" 4
520 2 47 PRO HB3 2 48 ASN H 3.500 . 4.000 3.306 3.168 3.522 . 0 0 "[ . 1]" 4
521 2 47 PRO HB2 2 48 ASN HA 4.000 . 5.000 4.162 3.927 4.295 . 0 0 "[ . 1]" 4
522 2 48 ASN H 2 49 THR H 4.000 . 5.000 4.029 3.237 4.423 . 0 0 "[ . 1]" 4
523 2 48 ASN HA 2 49 THR H 2.300 . 2.800 2.222 2.138 2.340 . 0 0 "[ . 1]" 4
524 2 48 ASN HA 2 49 THR HA 4.500 . 5.500 4.412 4.368 4.505 . 0 0 "[ . 1]" 4
525 2 49 THR HA 2 50 ILE H 2.300 . 2.800 2.196 2.148 2.338 . 0 0 "[ . 1]" 4
526 2 50 ILE HA 2 51 ASP H 2.300 . 2.800 2.313 2.161 2.474 . 0 0 "[ . 1]" 4
527 2 50 ILE HG13 2 51 ASP H 4.500 . 5.500 4.899 4.774 5.033 . 0 0 "[ . 1]" 4
528 2 50 ILE HG12 2 51 ASP H 4.500 . 5.500 4.192 4.001 4.754 . 0 0 "[ . 1]" 4
529 2 50 ILE HB 2 51 ASP H 3.500 . 4.000 3.750 3.424 4.018 0.018 1 0 "[ . 1]" 4
530 2 51 ASP HA 2 52 VAL H 2.700 . 3.200 2.408 2.153 2.695 . 0 0 "[ . 1]" 4
531 2 51 ASP HB2 2 52 VAL H 4.000 . 5.000 3.212 2.115 4.124 . 0 0 "[ . 1]" 4
532 2 8 THR H 2 9 VAL HA 4.000 4.000 34.000 5.089 4.644 5.389 . 0 0 "[ . 1]" 4
533 2 19 PHE HB3 2 21 GLY H 4.000 4.000 34.000 4.392 4.122 5.144 . 0 0 "[ . 1]" 4
534 2 3 GLN H 2 3 GLN HB3 3.500 . 4.000 3.785 3.608 3.957 . 0 0 "[ . 1]" 4
535 2 3 GLN H 2 3 GLN HB2 2.700 . 3.200 2.699 2.435 2.966 . 0 0 "[ . 1]" 4
536 2 4 THR H 2 4 THR HB 3.500 . 4.000 3.877 3.565 4.005 0.005 10 0 "[ . 1]" 4
537 2 5 GLU H 2 5 GLU HB2 3.500 . 4.000 2.530 2.470 2.620 . 0 0 "[ . 1]" 4
538 2 5 GLU H 2 5 GLU HB3 4.000 . 5.000 3.657 3.592 3.718 . 0 0 "[ . 1]" 4
539 2 5 GLU H 2 5 GLU HG3 4.000 . 5.000 3.076 2.022 4.058 . 0 0 "[ . 1]" 4
540 2 6 THR H 2 6 THR HB 3.500 . 4.000 2.855 2.616 2.916 . 0 0 "[ . 1]" 4
541 2 7 CYS H 2 7 CYS HB3 4.000 . 5.000 3.720 3.616 3.812 . 0 0 "[ . 1]" 4
542 2 9 VAL H 2 9 VAL HB 2.700 . 3.200 2.630 2.522 2.728 . 0 0 "[ . 1]" 4
543 2 10 ALA H 2 10 ALA HA 2.700 . 3.200 2.884 2.740 2.925 . 0 0 "[ . 1]" 4
544 2 12 ARG H 2 12 ARG HB2 3.500 . 4.000 3.167 2.460 3.650 . 0 0 "[ . 1]" 4
545 2 12 ARG H 2 12 ARG HB3 3.500 . 4.000 3.094 2.540 3.636 . 0 0 "[ . 1]" 4
546 2 13 GLU H 2 13 GLU HB3 3.500 . 4.000 3.658 3.605 3.707 . 0 0 "[ . 1]" 4
547 2 13 GLU H 2 13 GLU HB2 4.000 . 5.000 2.497 2.471 2.545 . 0 0 "[ . 1]" 4
548 2 14 ARG H 2 14 ARG HA 2.700 . 3.200 2.846 2.759 2.929 . 0 0 "[ . 1]" 4
549 2 14 ARG H 2 14 ARG HB2 2.700 . 3.200 2.505 2.477 2.558 . 0 0 "[ . 1]" 4
550 2 14 ARG H 2 14 ARG HB3 4.000 . 5.000 3.616 3.590 3.670 . 0 0 "[ . 1]" 4
551 2 14 ARG H 2 14 ARG HG2 4.000 . 5.000 3.487 3.278 3.755 . 0 0 "[ . 1]" 4
552 2 14 ARG H 2 14 ARG HG3 3.500 . 4.000 2.312 2.111 2.598 . 0 0 "[ . 1]" 4
553 2 14 ARG H 2 14 ARG HD2 4.500 . 5.500 4.069 3.975 4.231 . 0 0 "[ . 1]" 4
554 2 16 ASN H 2 16 ASN HB3 2.700 . 3.200 2.723 2.588 2.830 . 0 0 "[ . 1]" 4
555 2 16 ASN H 2 16 ASN HB2 2.300 . 2.800 2.451 2.384 2.487 . 0 0 "[ . 1]" 4
556 2 17 CYS H 2 17 CYS HB3 2.300 . 2.800 2.737 2.643 2.820 0.020 4 0 "[ . 1]" 4
557 2 17 CYS H 2 17 CYS HB2 4.000 . 5.000 3.294 3.196 3.382 . 0 0 "[ . 1]" 4
558 2 19 PHE H 2 19 PHE HB2 4.000 . 5.000 3.674 3.596 3.704 . 0 0 "[ . 1]" 4
559 2 21 GLY H 2 21 GLY HA3 2.300 . 2.800 2.891 2.695 2.954 0.154 7 0 "[ . 1]" 4
560 2 23 THR H 2 23 THR HB 4.000 . 5.000 3.809 3.735 3.857 . 0 0 "[ . 1]" 4
561 2 26 GLN H 2 26 GLN HB2 2.700 . 3.200 2.545 2.480 2.668 . 0 0 "[ . 1]" 4
562 2 26 GLN H 2 26 GLN HB3 4.000 . 5.000 3.592 3.587 3.609 . 0 0 "[ . 1]" 4
563 2 27 CYS H 2 27 CYS HA 2.700 . 3.200 2.826 2.650 2.891 . 0 0 "[ . 1]" 4
564 2 27 CYS H 2 27 CYS HB2 2.700 . 3.200 2.554 2.436 2.662 . 0 0 "[ . 1]" 4
565 2 27 CYS H 2 27 CYS HB3 2.700 . 3.200 2.554 2.506 2.746 . 0 0 "[ . 1]" 4
566 2 32 CYS H 2 32 CYS HB3 4.000 . 5.000 3.835 3.676 3.913 . 0 0 "[ . 1]" 4
567 2 32 CYS H 2 32 CYS HB2 3.500 . 4.000 2.742 2.482 2.879 . 0 0 "[ . 1]" 4
568 2 33 CYS H 2 33 CYS HB2 2.700 . 3.200 2.479 2.448 2.522 . 0 0 "[ . 1]" 4
569 2 33 CYS H 2 33 CYS HB3 4.000 . 5.000 3.603 3.591 3.643 . 0 0 "[ . 1]" 4
570 2 34 PHE H 2 34 PHE HB2 2.700 . 3.200 3.125 2.784 3.200 . 0 0 "[ . 1]" 4
571 2 34 PHE H 2 34 PHE HB3 2.700 . 3.200 2.675 2.456 2.736 . 0 0 "[ . 1]" 4
572 2 35 ASP H 2 35 ASP HB2 3.500 . 4.000 3.273 3.164 3.522 . 0 0 "[ . 1]" 4
573 2 36 ASP H 2 36 ASP HB2 4.000 . 5.000 3.649 3.601 3.732 . 0 0 "[ . 1]" 4
574 2 36 ASP H 2 36 ASP HB3 4.000 . 5.000 2.797 2.630 2.996 . 0 0 "[ . 1]" 4
575 2 37 THR H 2 37 THR HB 3.500 . 4.000 3.710 3.628 3.782 . 0 0 "[ . 1]" 4
576 2 38 VAL H 2 38 VAL HB 2.700 . 3.200 2.653 2.517 2.805 . 0 0 "[ . 1]" 4
577 2 41 VAL H 2 41 VAL HB 3.500 . 4.000 3.704 3.634 3.840 . 0 0 "[ . 1]" 4
578 2 43 TRP H 2 43 TRP HA 2.700 . 3.200 2.870 2.807 2.917 . 0 0 "[ . 1]" 4
579 2 43 TRP H 2 43 TRP HB2 3.500 . 4.000 2.490 2.465 2.516 . 0 0 "[ . 1]" 4
580 2 43 TRP H 2 43 TRP HB3 4.000 . 5.000 3.618 3.591 3.657 . 0 0 "[ . 1]" 4
581 2 43 TRP HB3 2 43 TRP HE1 4.500 . 5.500 5.055 4.970 5.165 . 0 0 "[ . 1]" 4
582 2 43 TRP HB2 2 43 TRP HD1 3.500 . 4.000 3.780 3.596 3.872 . 0 0 "[ . 1]" 4
583 2 43 TRP HB3 2 43 TRP HD1 3.500 . 4.000 3.370 3.158 3.633 . 0 0 "[ . 1]" 4
584 2 43 TRP HA 2 43 TRP HE3 4.500 . 5.500 5.215 5.116 5.239 . 0 0 "[ . 1]" 4
585 2 43 TRP HB2 2 43 TRP HE3 4.000 . 5.000 2.637 2.449 2.977 . 0 0 "[ . 1]" 4
586 2 43 TRP HB3 2 43 TRP HE3 4.000 . 5.000 3.314 2.913 3.598 . 0 0 "[ . 1]" 4
587 2 44 CYS H 2 44 CYS HB2 3.500 . 4.000 2.794 2.707 3.072 . 0 0 "[ . 1]" 4
588 2 44 CYS H 2 44 CYS HB3 2.700 . 3.200 2.505 2.462 2.635 . 0 0 "[ . 1]" 4
589 2 45 PHE H 2 45 PHE HB2 3.500 . 4.000 3.885 3.797 3.932 . 0 0 "[ . 1]" 4
590 2 46 TYR H 2 46 TYR HB2 2.700 . 3.200 2.497 2.456 2.588 . 0 0 "[ . 1]" 4
591 2 46 TYR H 2 46 TYR HB3 4.000 . 5.000 3.605 3.590 3.629 . 0 0 "[ . 1]" 4
592 2 49 THR H 2 49 THR HB 4.000 . 5.000 3.046 2.493 3.679 . 0 0 "[ . 1]" 4
593 2 50 ILE H 2 50 ILE HB 2.700 . 3.200 2.673 2.488 3.045 . 0 0 "[ . 1]" 4
594 2 50 ILE H 2 50 ILE HG13 3.500 . 4.000 2.711 2.408 3.265 . 0 0 "[ . 1]" 4
595 2 50 ILE H 2 50 ILE HG12 4.000 . 5.000 3.849 3.585 4.194 . 0 0 "[ . 1]" 4
596 2 51 ASP H 2 51 ASP HB2 3.500 . 4.000 3.223 2.530 4.000 0.000 1 0 "[ . 1]" 4
597 2 52 VAL H 2 52 VAL HA 2.700 . 3.200 2.920 2.855 2.945 . 0 0 "[ . 1]" 4
598 2 52 VAL H 2 52 VAL HB 3.500 . 4.000 3.227 2.547 3.987 . 0 0 "[ . 1]" 4
stop_
save_
save_distance_constraint_statistics_5
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 5
_Distance_constraint_stats_list.Constraint_count 33
_Distance_constraint_stats_list.Viol_count 1
_Distance_constraint_stats_list.Viol_total 0.031
_Distance_constraint_stats_list.Viol_max 0.003
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0031
_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
2 2 ALA 0.000 0.000 . 0 "[ . 1]"
2 3 GLN 0.000 0.000 . 0 "[ . 1]"
2 4 THR 0.000 0.000 . 0 "[ . 1]"
2 5 GLU 0.000 0.000 . 0 "[ . 1]"
2 6 THR 0.000 0.000 . 0 "[ . 1]"
2 8 THR 0.000 0.000 . 0 "[ . 1]"
2 11 PRO 0.000 0.000 . 0 "[ . 1]"
2 12 ARG 0.000 0.000 . 0 "[ . 1]"
2 14 ARG 0.000 0.000 . 0 "[ . 1]"
2 16 ASN 0.000 0.000 . 0 "[ . 1]"
2 17 CYS 0.000 0.000 . 0 "[ . 1]"
2 18 GLY 0.000 0.000 . 0 "[ . 1]"
2 19 PHE 0.000 0.000 . 0 "[ . 1]"
2 22 VAL 0.003 0.003 9 0 "[ . 1]"
2 23 THR 0.000 0.000 . 0 "[ . 1]"
2 24 PRO 0.000 0.000 . 0 "[ . 1]"
2 26 GLN 0.003 0.003 9 0 "[ . 1]"
2 28 ALA 0.000 0.000 . 0 "[ . 1]"
2 29 ASN 0.000 0.000 . 0 "[ . 1]"
2 30 LYS 0.000 0.000 . 0 "[ . 1]"
2 31 GLY 0.000 0.000 . 0 "[ . 1]"
2 32 CYS 0.000 0.000 . 0 "[ . 1]"
2 34 PHE 0.000 0.000 . 0 "[ . 1]"
2 41 VAL 0.000 0.000 . 0 "[ . 1]"
2 42 PRO 0.000 0.000 . 0 "[ . 1]"
2 43 TRP 0.000 0.000 . 0 "[ . 1]"
2 44 CYS 0.000 0.000 . 0 "[ . 1]"
2 45 PHE 0.000 0.000 . 0 "[ . 1]"
2 49 THR 0.000 0.000 . 0 "[ . 1]"
2 50 ILE 0.000 0.000 . 0 "[ . 1]"
2 51 ASP 0.000 0.000 . 0 "[ . 1]"
2 52 VAL 0.000 0.000 . 0 "[ . 1]"
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 2 3 GLN HA 2 5 GLU H 4.500 . 5.500 3.974 2.327 4.647 . 0 0 "[ . 1]" 5
2 2 3 GLN HB3 2 50 ILE H 4.500 . 5.500 4.156 2.612 4.931 . 0 0 "[ . 1]" 5
3 2 2 ALA MB 2 4 THR H 4.500 . 5.500 4.534 4.356 4.894 . 0 0 "[ . 1]" 5
4 2 6 THR H 2 8 THR H 4.500 . 5.500 4.321 3.976 4.719 . 0 0 "[ . 1]" 5
5 2 11 PRO HA 2 14 ARG HG3 3.500 . 4.000 2.463 2.023 3.130 . 0 0 "[ . 1]" 5
6 2 11 PRO HA 2 14 ARG HG2 4.000 . 5.000 3.742 3.298 4.378 . 0 0 "[ . 1]" 5
7 2 11 PRO HA 2 41 VAL MG1 3.500 . 4.000 2.845 2.679 2.994 . 0 0 "[ . 1]" 5
8 2 11 PRO HA 2 41 VAL MG2 3.500 . 4.000 2.640 2.074 3.131 . 0 0 "[ . 1]" 5
9 2 12 ARG QG 2 41 VAL MG1 4.500 . 5.500 4.103 3.295 4.546 . 0 0 "[ . 1]" 5
10 2 16 ASN HB3 2 17 CYS H 4.000 . 5.000 3.458 3.224 3.823 . 0 0 "[ . 1]" 5
11 2 16 ASN HB3 2 18 GLY H 4.000 . 5.000 3.477 3.293 3.677 . 0 0 "[ . 1]" 5
12 2 17 CYS HB3 2 18 GLY H 3.500 . 4.000 3.570 3.533 3.609 . 0 0 "[ . 1]" 5
13 2 18 GLY HA2 2 19 PHE H 2.700 . 3.200 2.177 2.105 2.415 . 0 0 "[ . 1]" 5
14 2 18 GLY QA 2 22 VAL HB 4.500 . 5.500 2.186 1.870 2.406 . 0 0 "[ . 1]" 5
15 2 19 PHE H 2 22 VAL HB 4.000 . 5.000 1.856 1.504 2.967 . 0 0 "[ . 1]" 5
16 2 19 PHE QD 2 22 VAL HB 3.500 . 4.000 2.408 2.232 2.878 . 0 0 "[ . 1]" 5
17 2 19 PHE QE 2 23 THR H 3.500 . 4.500 3.245 2.880 3.524 . 0 0 "[ . 1]" 5
18 2 22 VAL HB 2 23 THR H 4.000 . 5.000 2.561 2.314 2.928 . 0 0 "[ . 1]" 5
19 2 22 VAL HB 2 26 GLN HE21 4.500 . 5.500 4.222 2.548 5.503 0.003 9 0 "[ . 1]" 5
20 2 22 VAL HB 2 44 CYS HB3 4.500 . 5.500 2.462 1.889 2.933 . 0 0 "[ . 1]" 5
21 2 22 VAL HB 2 44 CYS H 4.500 . 5.500 3.565 2.889 4.052 . 0 0 "[ . 1]" 5
22 2 22 VAL H 2 22 VAL HB 2.300 . 2.800 2.022 1.932 2.115 . 0 0 "[ . 1]" 5
23 2 23 THR H 2 24 PRO QD 4.000 . 5.000 4.337 4.313 4.354 . 0 0 "[ . 1]" 5
24 2 28 ALA MB 2 30 LYS H 4.500 . 5.500 4.402 4.310 4.510 . 0 0 "[ . 1]" 5
25 2 29 ASN H 2 29 ASN QB 2.700 . 3.200 2.256 2.252 2.259 . 0 0 "[ . 1]" 5
26 2 29 ASN QB 2 30 LYS H 2.700 . 3.200 2.705 2.557 2.848 . 0 0 "[ . 1]" 5
27 2 30 LYS QB 2 31 GLY H 4.000 . 5.000 2.801 2.536 3.136 . 0 0 "[ . 1]" 5
28 2 30 LYS QB 2 32 CYS H 4.000 . 5.000 3.746 2.942 4.209 . 0 0 "[ . 1]" 5
29 2 26 GLN HB3 2 29 ASN H 4.500 . 5.500 4.507 4.345 4.642 . 0 0 "[ . 1]" 5
30 2 42 PRO HB3 2 44 CYS H 4.000 . 5.000 3.500 3.367 3.645 . 0 0 "[ . 1]" 5
31 2 17 CYS HB3 2 45 PHE H 3.500 . 4.000 3.033 2.922 3.083 . 0 0 "[ . 1]" 5
32 2 50 ILE H 2 50 ILE MD 4.000 . 5.000 3.466 3.258 3.696 . 0 0 "[ . 1]" 5
33 2 50 ILE H 2 51 ASP H 4.000 . 5.000 3.963 3.877 4.035 . 0 0 "[ . 1]" 5
stop_
save_
save_distance_constraint_statistics_6
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 6
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 57
_Distance_constraint_stats_list.Viol_total 3.758
_Distance_constraint_stats_list.Viol_max 0.049
_Distance_constraint_stats_list.Viol_rms 0.0041
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0066
_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 6 THR 0.051 0.049 8 0 "[ . 1]"
1 17 CYS 0.026 0.007 9 0 "[ . 1]"
1 23 THR 0.035 0.015 7 0 "[ . 1]"
1 24 PRO 0.025 0.008 2 0 "[ . 1]"
1 25 SER 0.003 0.003 6 0 "[ . 1]"
1 27 CYS 0.035 0.015 7 0 "[ . 1]"
1 28 ALA 0.025 0.008 2 0 "[ . 1]"
1 29 ASN 0.003 0.003 6 0 "[ . 1]"
1 33 CYS 0.027 0.010 7 0 "[ . 1]"
1 35 ASP 0.005 0.005 7 0 "[ . 1]"
1 43 TRP 0.005 0.005 7 0 "[ . 1]"
1 44 CYS 0.026 0.007 9 0 "[ . 1]"
1 45 PHE 0.027 0.010 7 0 "[ . 1]"
1 48 ASN 0.051 0.049 8 0 "[ . 1]"
2 6 THR 0.058 0.023 1 0 "[ . 1]"
2 17 CYS 0.031 0.008 1 0 "[ . 1]"
2 23 THR 0.060 0.025 7 0 "[ . 1]"
2 24 PRO 0.031 0.011 1 0 "[ . 1]"
2 25 SER 0.002 0.002 9 0 "[ . 1]"
2 27 CYS 0.060 0.025 7 0 "[ . 1]"
2 28 ALA 0.031 0.011 1 0 "[ . 1]"
2 29 ASN 0.002 0.002 9 0 "[ . 1]"
2 33 CYS 0.016 0.005 10 0 "[ . 1]"
2 35 ASP 0.005 0.003 2 0 "[ . 1]"
2 43 TRP 0.005 0.003 2 0 "[ . 1]"
2 44 CYS 0.031 0.008 1 0 "[ . 1]"
2 45 PHE 0.016 0.005 10 0 "[ . 1]"
2 48 ASN 0.058 0.023 1 0 "[ . 1]"
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 6 THR O 1 48 ASN H 2.000 . 2.300 2.165 1.966 2.349 0.049 8 0 "[ . 1]" 6
2 1 6 THR O 1 48 ASN N 3.000 2.700 3.300 2.838 2.716 2.955 . 0 0 "[ . 1]" 6
3 1 17 CYS H 1 44 CYS O 2.000 . 2.300 1.904 1.782 2.126 . 0 0 "[ . 1]" 6
4 1 17 CYS N 1 44 CYS O 3.000 2.700 3.300 2.727 2.693 2.803 0.007 9 0 "[ . 1]" 6
5 1 23 THR O 1 27 CYS H 2.000 . 2.300 1.809 1.760 1.910 . 0 0 "[ . 1]" 6
6 1 23 THR O 1 27 CYS N 3.000 2.700 3.300 2.729 2.685 2.873 0.015 7 0 "[ . 1]" 6
7 1 24 PRO O 1 28 ALA H 2.000 . 2.300 2.248 1.926 2.308 0.008 2 0 "[ . 1]" 6
8 1 24 PRO O 1 28 ALA N 3.000 2.700 3.300 3.096 2.791 3.226 . 0 0 "[ . 1]" 6
9 1 25 SER O 1 29 ASN H 2.000 . 2.300 2.159 2.016 2.303 0.003 6 0 "[ . 1]" 6
10 1 25 SER O 1 29 ASN N 3.000 2.700 3.300 2.860 2.775 2.974 . 0 0 "[ . 1]" 6
11 1 33 CYS H 1 45 PHE O 2.000 . 2.300 1.906 1.739 2.267 . 0 0 "[ . 1]" 6
12 1 33 CYS N 1 45 PHE O 3.000 2.700 3.300 2.749 2.690 2.937 0.010 7 0 "[ . 1]" 6
13 1 35 ASP H 1 43 TRP O 2.000 . 2.300 1.963 1.752 2.171 . 0 0 "[ . 1]" 6
14 1 35 ASP N 1 43 TRP O 3.000 2.700 3.300 2.854 2.695 3.070 0.005 7 0 "[ . 1]" 6
15 1 33 CYS O 1 45 PHE H 2.000 . 2.300 2.141 1.965 2.242 . 0 0 "[ . 1]" 6
16 1 33 CYS O 1 45 PHE N 3.000 2.700 3.300 3.028 2.922 3.126 . 0 0 "[ . 1]" 6
17 2 6 THR O 2 48 ASN H 2.000 . 2.300 2.180 1.825 2.320 0.020 5 0 "[ . 1]" 6
18 2 6 THR O 2 48 ASN N 3.000 2.700 3.300 2.950 2.677 3.141 0.023 1 0 "[ . 1]" 6
19 2 17 CYS H 2 44 CYS O 2.000 . 2.300 1.975 1.878 2.192 . 0 0 "[ . 1]" 6
20 2 17 CYS N 2 44 CYS O 3.000 2.700 3.300 2.735 2.692 2.935 0.008 1 0 "[ . 1]" 6
21 2 23 THR O 2 27 CYS H 2.000 . 2.300 1.830 1.726 2.065 . 0 0 "[ . 1]" 6
22 2 23 THR O 2 27 CYS N 3.000 2.700 3.300 2.742 2.675 2.959 0.025 7 0 "[ . 1]" 6
23 2 24 PRO O 2 28 ALA H 2.000 . 2.300 2.229 1.957 2.311 0.011 1 0 "[ . 1]" 6
24 2 24 PRO O 2 28 ALA N 3.000 2.700 3.300 3.148 2.872 3.237 . 0 0 "[ . 1]" 6
25 2 25 SER O 2 29 ASN H 2.000 . 2.300 2.122 1.865 2.302 0.002 9 0 "[ . 1]" 6
26 2 25 SER O 2 29 ASN N 3.000 2.700 3.300 2.993 2.769 3.147 . 0 0 "[ . 1]" 6
27 2 33 CYS H 2 45 PHE O 2.000 . 2.300 1.996 1.781 2.252 . 0 0 "[ . 1]" 6
28 2 33 CYS N 2 45 PHE O 3.000 2.700 3.300 2.754 2.695 3.014 0.005 10 0 "[ . 1]" 6
29 2 35 ASP H 2 43 TRP O 2.000 . 2.300 1.991 1.740 2.243 . 0 0 "[ . 1]" 6
30 2 35 ASP N 2 43 TRP O 3.000 2.700 3.300 2.851 2.697 3.135 0.003 2 0 "[ . 1]" 6
31 2 33 CYS O 2 45 PHE H 2.000 . 2.300 2.108 1.871 2.301 0.001 1 0 "[ . 1]" 6
32 2 33 CYS O 2 45 PHE N 3.000 2.700 3.300 2.978 2.770 3.269 . 0 0 "[ . 1]" 6
stop_
save_
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