NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
386424 |
1lpv   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1lpv
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 12
_Distance_constraint_stats_list.Viol_count 101
_Distance_constraint_stats_list.Viol_total 119.946
_Distance_constraint_stats_list.Viol_max 0.144
_Distance_constraint_stats_list.Viol_rms 0.0430
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0309
_Distance_constraint_stats_list.Viol_average_violations_only 0.0660
_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 10 CYS 1.312 0.069 16 0 "[ . 1 . ]"
1 13 CYS 3.264 0.144 16 0 "[ . 1 . ]"
1 16 HIS 3.024 0.136 5 0 "[ . 1 . ]"
1 25 HIS 0.086 0.023 10 0 "[ . 1 . ]"
1 29 CYS 2.618 0.144 16 0 "[ . 1 . ]"
1 34 CYS 1.414 0.136 5 0 "[ . 1 . ]"
1 36 CYS 1.535 0.107 4 0 "[ . 1 . ]"
1 39 CYS 0.075 0.023 2 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 10 CYS SG 1 13 CYS SG 3.900 3.600 3.900 3.543 3.531 3.557 0.069 16 0 "[ . 1 . ]" 1
2 1 10 CYS SG 1 29 CYS SG 3.900 3.600 3.900 3.588 3.560 3.632 0.040 8 0 "[ . 1 . ]" 1
3 1 10 CYS SG 1 25 HIS NE2 3.800 3.400 3.800 3.476 3.439 3.542 . 0 0 "[ . 1 . ]" 1
4 1 13 CYS SG 1 29 CYS SG 3.900 3.600 3.900 4.025 4.009 4.044 0.144 16 0 "[ . 1 . ]" 1
5 1 13 CYS SG 1 25 HIS NE2 3.800 3.400 3.800 3.675 3.641 3.716 . 0 0 "[ . 1 . ]" 1
6 1 25 HIS NE2 1 29 CYS SG 3.800 3.400 3.800 3.410 3.377 3.451 0.023 10 0 "[ . 1 . ]" 1
7 1 34 CYS SG 1 36 CYS SG 3.900 3.600 3.900 3.793 3.768 3.815 . 0 0 "[ . 1 . ]" 1
8 1 34 CYS SG 1 39 CYS SG 3.900 3.600 3.900 3.749 3.715 3.788 . 0 0 "[ . 1 . ]" 1
9 1 16 HIS NE2 1 34 CYS SG 3.800 3.400 3.800 3.321 3.264 3.351 0.136 5 0 "[ . 1 . ]" 1
10 1 36 CYS SG 1 39 CYS SG 3.900 3.600 3.900 3.642 3.619 3.665 . 0 0 "[ . 1 . ]" 1
11 1 16 HIS NE2 1 36 CYS SG 3.800 3.400 3.800 3.315 3.293 3.327 0.107 4 0 "[ . 1 . ]" 1
12 1 16 HIS NE2 1 39 CYS SG 3.800 3.400 3.800 3.798 3.768 3.823 0.023 2 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 330
_Distance_constraint_stats_list.Viol_count 825
_Distance_constraint_stats_list.Viol_total 1478.421
_Distance_constraint_stats_list.Viol_max 0.337
_Distance_constraint_stats_list.Viol_rms 0.0434
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0138
_Distance_constraint_stats_list.Viol_average_violations_only 0.0996
_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 ILE 0.000 0.000 . 0 "[ . 1 . ]"
1 3 SER 0.000 0.000 . 0 "[ . 1 . ]"
1 5 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . ]"
1 7 PRO 0.000 0.000 . 0 "[ . 1 . ]"
1 8 PRO 0.272 0.110 12 0 "[ . 1 . ]"
1 9 ASN 2.047 0.110 12 0 "[ . 1 . ]"
1 10 CYS 0.598 0.089 4 0 "[ . 1 . ]"
1 11 ALA 4.459 0.337 15 0 "[ . 1 . ]"
1 12 ARG 9.893 0.315 10 0 "[ . 1 . ]"
1 13 CYS 12.400 0.321 3 0 "[ . 1 . ]"
1 14 ARG 5.192 0.337 15 0 "[ . 1 . ]"
1 15 ASN 14.232 0.251 10 0 "[ . 1 . ]"
1 16 HIS 17.105 0.315 10 0 "[ . 1 . ]"
1 17 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 18 LEU 0.740 0.074 13 0 "[ . 1 . ]"
1 19 LYS 2.645 0.139 2 0 "[ . 1 . ]"
1 20 ILE 5.818 0.139 2 0 "[ . 1 . ]"
1 21 THR 1.966 0.172 7 0 "[ . 1 . ]"
1 22 LEU 5.573 0.202 8 0 "[ . 1 . ]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . ]"
1 25 HIS 20.323 0.321 3 0 "[ . 1 . ]"
1 26 LYS 2.071 0.116 5 0 "[ . 1 . ]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 28 TYR 1.502 0.104 13 0 "[ . 1 . ]"
1 29 CYS 2.428 0.187 4 0 "[ . 1 . ]"
1 30 LYS 1.858 0.176 10 0 "[ . 1 . ]"
1 31 PHE 0.547 0.078 16 0 "[ . 1 . ]"
1 32 ARG 5.597 0.187 4 0 "[ . 1 . ]"
1 33 TYR 3.649 0.176 16 0 "[ . 1 . ]"
1 34 CYS 3.519 0.143 12 0 "[ . 1 . ]"
1 35 THR 3.061 0.143 12 0 "[ . 1 . ]"
1 36 CYS 3.298 0.207 16 0 "[ . 1 . ]"
1 37 GLU 0.911 0.069 3 0 "[ . 1 . ]"
1 38 LYS 4.731 0.248 8 0 "[ . 1 . ]"
1 39 CYS 8.384 0.248 8 0 "[ . 1 . ]"
1 40 ARG 3.879 0.148 8 0 "[ . 1 . ]"
1 41 LEU 4.931 0.148 8 0 "[ . 1 . ]"
1 42 THR 5.155 0.156 5 0 "[ . 1 . ]"
1 43 ALA 2.616 0.156 5 0 "[ . 1 . ]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 45 ARG 0.116 0.077 6 0 "[ . 1 . ]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . ]"
1 47 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 48 VAL 0.041 0.041 15 0 "[ . 1 . ]"
1 49 MET 0.426 0.157 3 0 "[ . 1 . ]"
1 50 ALA 0.385 0.157 3 0 "[ . 1 . ]"
1 51 LEU 0.000 0.000 . 0 "[ . 1 . ]"
1 52 GLN 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 2 ILE HA 1 3 SER H 5.000 . 5.000 2.761 2.211 3.590 . 0 0 "[ . 1 . ]" 2
2 1 5 ARG HA 1 6 THR H 3.400 . 3.400 2.683 2.242 3.316 . 0 0 "[ . 1 . ]" 2
3 1 5 ARG H 1 6 THR H 5.500 . 5.500 3.680 2.408 4.497 . 0 0 "[ . 1 . ]" 2
4 1 6 THR HA 1 7 PRO QD 2.700 . 3.700 2.422 1.934 3.479 . 0 0 "[ . 1 . ]" 2
5 1 6 THR HA 1 7 PRO QG 5.000 . 6.000 4.302 3.847 5.253 . 0 0 "[ . 1 . ]" 2
6 1 6 THR HG1 1 7 PRO QD 3.400 . 4.400 2.522 1.704 3.260 . 0 0 "[ . 1 . ]" 2
7 1 6 THR HB 1 7 PRO QD 5.000 . 6.000 2.783 1.746 4.449 . 0 0 "[ . 1 . ]" 2
8 1 7 PRO QB 1 8 PRO QD 5.000 . 7.000 2.802 1.858 3.403 . 0 0 "[ . 1 . ]" 2
9 1 7 PRO QG 1 8 PRO QD 5.000 . 7.000 3.551 1.772 4.599 . 0 0 "[ . 1 . ]" 2
10 1 8 PRO HA 1 9 ASN H 2.700 . 2.700 2.486 2.207 2.810 0.110 12 0 "[ . 1 . ]" 2
11 1 8 PRO QB 1 9 ASN H 3.400 . 4.400 3.309 1.842 4.011 . 0 0 "[ . 1 . ]" 2
12 1 9 ASN HA 1 10 CYS H 2.700 . 2.700 2.383 2.295 2.512 . 0 0 "[ . 1 . ]" 2
13 1 9 ASN HA 1 20 ILE MG 5.000 . 6.000 4.907 4.838 4.986 . 0 0 "[ . 1 . ]" 2
14 1 9 ASN HA 1 21 THR HA 2.700 . 2.700 1.932 1.867 1.985 . 0 0 "[ . 1 . ]" 2
15 1 9 ASN HA 1 21 THR HB 5.000 . 5.000 4.371 4.337 4.415 . 0 0 "[ . 1 . ]" 2
16 1 9 ASN HA 1 21 THR HG1 5.000 . 6.000 3.559 3.351 3.684 . 0 0 "[ . 1 . ]" 2
17 1 9 ASN HA 1 22 LEU H 2.700 . 2.700 2.741 2.651 2.804 0.104 18 0 "[ . 1 . ]" 2
18 1 9 ASN HB2 1 10 CYS H 2.700 . 2.700 2.710 2.515 2.789 0.089 4 0 "[ . 1 . ]" 2
19 1 9 ASN HB3 1 20 ILE H 5.000 . 5.000 4.681 4.046 5.012 0.012 1 0 "[ . 1 . ]" 2
20 1 9 ASN HB2 1 20 ILE H 3.400 . 3.400 3.129 2.611 3.417 0.017 12 0 "[ . 1 . ]" 2
21 1 9 ASN HB3 1 21 THR HA 5.000 . 5.000 2.977 2.696 3.230 . 0 0 "[ . 1 . ]" 2
22 1 9 ASN HB2 1 21 THR HA 3.400 . 3.400 3.372 3.251 3.456 0.056 16 0 "[ . 1 . ]" 2
23 1 10 CYS HA 1 11 ALA H 3.400 . 3.400 2.273 2.251 2.302 . 0 0 "[ . 1 . ]" 2
24 1 10 CYS HA 1 25 HIS HD2 5.000 . 5.000 3.928 3.864 4.000 . 0 0 "[ . 1 . ]" 2
25 1 10 CYS QB 1 13 CYS HB2 5.500 . 5.500 4.516 4.493 4.555 . 0 0 "[ . 1 . ]" 2
26 1 10 CYS QB 1 13 CYS HB3 5.000 . 5.000 3.995 3.976 4.026 . 0 0 "[ . 1 . ]" 2
27 1 10 CYS QB 1 13 CYS H . . 3.400 3.352 3.315 3.392 . 0 0 "[ . 1 . ]" 2
28 1 10 CYS QB 1 20 ILE HB 5.000 . 5.000 4.786 4.762 4.811 . 0 0 "[ . 1 . ]" 2
29 1 10 CYS QB 1 20 ILE MD 3.400 . 4.400 1.491 1.477 1.503 . 0 0 "[ . 1 . ]" 2
30 1 10 CYS QB 1 22 LEU HA 5.000 . 5.000 2.420 2.340 2.502 . 0 0 "[ . 1 . ]" 2
31 1 10 CYS QB 1 22 LEU QD 3.400 . 5.100 2.483 2.055 2.863 . 0 0 "[ . 1 . ]" 2
32 1 10 CYS QB 1 25 HIS HE1 5.000 . 5.000 4.325 4.307 4.347 . 0 0 "[ . 1 . ]" 2
33 1 10 CYS H 1 20 ILE MD 5.000 . 6.000 1.811 1.752 1.885 . 0 0 "[ . 1 . ]" 2
34 1 10 CYS H 1 20 ILE MG 5.000 . 6.000 3.447 3.365 3.546 . 0 0 "[ . 1 . ]" 2
35 1 10 CYS QB 1 12 ARG HB3 5.000 . 5.000 4.200 4.102 4.277 . 0 0 "[ . 1 . ]" 2
36 1 11 ALA HA 1 12 ARG H 5.000 . 5.000 3.473 3.399 3.557 . 0 0 "[ . 1 . ]" 2
37 1 11 ALA HA 1 14 ARG QB 2.700 . 3.700 2.649 1.576 3.225 . 0 0 "[ . 1 . ]" 2
38 1 11 ALA HA 1 14 ARG H 2.700 . 2.700 2.948 2.817 3.037 0.337 15 0 "[ . 1 . ]" 2
39 1 11 ALA HA 1 15 ASN H 5.500 . 5.500 4.282 4.163 4.538 . 0 0 "[ . 1 . ]" 2
40 1 11 ALA HA 1 19 LYS QD 5.000 . 6.000 5.375 5.276 5.458 . 0 0 "[ . 1 . ]" 2
41 1 11 ALA MB 1 15 ASN HA 5.000 . 7.000 5.811 5.769 5.910 . 0 0 "[ . 1 . ]" 2
42 1 11 ALA H 1 12 ARG H 5.000 . 5.000 2.406 2.370 2.527 . 0 0 "[ . 1 . ]" 2
43 1 12 ARG HA 1 13 CYS H 5.000 . 5.000 3.530 3.513 3.539 . 0 0 "[ . 1 . ]" 2
44 1 12 ARG HA 1 15 ASN H 5.000 . 5.000 4.329 4.259 4.427 . 0 0 "[ . 1 . ]" 2
45 1 12 ARG HA 1 15 ASN HD22 2.700 . 2.700 2.504 2.255 2.861 0.161 10 0 "[ . 1 . ]" 2
46 1 12 ARG HA 1 16 HIS HD2 5.000 . 5.000 5.267 5.176 5.315 0.315 10 0 "[ . 1 . ]" 2
47 1 12 ARG HB3 1 13 CYS H 3.400 . 3.400 2.207 2.173 2.244 . 0 0 "[ . 1 . ]" 2
48 1 12 ARG HB2 1 13 CYS H 3.400 . 3.400 3.569 3.536 3.607 0.207 14 0 "[ . 1 . ]" 2
49 1 12 ARG HB2 1 31 PHE HB2 5.000 . 5.000 4.411 4.186 4.622 . 0 0 "[ . 1 . ]" 2
50 1 12 ARG QG 1 31 PHE HB2 5.000 . 5.000 2.101 1.855 2.303 . 0 0 "[ . 1 . ]" 2
51 1 12 ARG HB2 1 31 PHE QD 5.000 . 7.000 6.024 5.796 6.245 . 0 0 "[ . 1 . ]" 2
52 1 12 ARG QD 1 32 ARG HA 2.700 . 3.700 2.575 1.871 3.156 . 0 0 "[ . 1 . ]" 2
53 1 12 ARG QG 1 13 CYS H 2.700 . 3.700 3.471 3.441 3.507 . 0 0 "[ . 1 . ]" 2
54 1 12 ARG QG 1 16 HIS HD2 5.000 . 6.000 4.910 4.819 5.005 . 0 0 "[ . 1 . ]" 2
55 1 12 ARG QG 1 31 PHE HB3 5.000 . 6.000 2.323 2.099 2.494 . 0 0 "[ . 1 . ]" 2
56 1 12 ARG H 1 13 CYS H 2.700 . 2.700 2.743 2.491 2.894 0.194 6 0 "[ . 1 . ]" 2
57 1 12 ARG H 1 15 ASN HD22 5.500 . 5.500 4.335 4.205 4.717 . 0 0 "[ . 1 . ]" 2
58 1 13 CYS HA 1 14 ARG H 5.500 . 5.500 3.536 3.422 3.588 . 0 0 "[ . 1 . ]" 2
59 1 13 CYS HA 1 16 HIS HD2 3.400 . 3.400 3.286 3.182 3.356 . 0 0 "[ . 1 . ]" 2
60 1 13 CYS HA 1 16 HIS H 5.000 . 5.000 3.691 3.581 3.806 . 0 0 "[ . 1 . ]" 2
61 1 13 CYS HA 1 18 LEU MD2 5.000 . 6.000 4.866 4.737 4.978 . 0 0 "[ . 1 . ]" 2
62 1 13 CYS HA 1 31 PHE QD 2.700 . 4.700 2.394 2.192 2.507 . 0 0 "[ . 1 . ]" 2
63 1 13 CYS HA 1 31 PHE QE 3.400 . 5.400 3.491 3.284 3.638 . 0 0 "[ . 1 . ]" 2
64 1 13 CYS HA 1 31 PHE HZ 5.000 . 5.000 4.603 4.288 4.836 . 0 0 "[ . 1 . ]" 2
65 1 13 CYS HB3 1 14 ARG H 5.000 . 5.000 4.283 4.200 4.323 . 0 0 "[ . 1 . ]" 2
66 1 13 CYS HB3 1 18 LEU HB3 3.400 . 3.400 3.393 3.368 3.418 0.018 4 0 "[ . 1 . ]" 2
67 1 13 CYS HB3 1 18 LEU HB2 5.000 . 5.000 4.084 4.011 4.147 . 0 0 "[ . 1 . ]" 2
68 1 13 CYS HB2 1 18 LEU HB3 2.700 . 2.700 1.842 1.817 1.869 . 0 0 "[ . 1 . ]" 2
69 1 13 CYS HB2 1 18 LEU HB2 3.400 . 3.400 2.424 2.340 2.493 . 0 0 "[ . 1 . ]" 2
70 1 13 CYS HB3 1 18 LEU MD2 5.500 . 6.500 4.866 4.751 4.978 . 0 0 "[ . 1 . ]" 2
71 1 13 CYS HB2 1 18 LEU MD2 3.400 . 4.400 3.560 3.446 3.672 . 0 0 "[ . 1 . ]" 2
72 1 13 CYS HB3 1 20 ILE MD 5.000 . 6.000 4.073 3.989 4.138 . 0 0 "[ . 1 . ]" 2
73 1 13 CYS HB2 1 20 ILE MD 5.000 . 6.000 4.419 4.336 4.474 . 0 0 "[ . 1 . ]" 2
74 1 13 CYS HB3 1 20 ILE MG 5.000 . 6.000 3.655 3.524 3.835 . 0 0 "[ . 1 . ]" 2
75 1 13 CYS HB2 1 20 ILE MG 3.400 . 4.400 3.392 3.266 3.545 . 0 0 "[ . 1 . ]" 2
76 1 13 CYS HB2 1 25 HIS HD2 6.000 . 6.000 6.305 6.290 6.321 0.321 3 0 "[ . 1 . ]" 2
77 1 13 CYS HB3 1 25 HIS HD2 5.000 . 5.000 5.147 5.113 5.185 0.185 5 0 "[ . 1 . ]" 2
78 1 13 CYS HB2 1 25 HIS HE1 5.000 . 5.000 4.720 4.582 4.805 . 0 0 "[ . 1 . ]" 2
79 1 13 CYS HB2 1 31 PHE QD 3.400 . 5.400 2.404 2.243 2.530 . 0 0 "[ . 1 . ]" 2
80 1 13 CYS HB3 1 31 PHE QD 5.500 . 7.500 1.937 1.822 2.070 . 0 0 "[ . 1 . ]" 2
81 1 13 CYS HB2 1 31 PHE QE 3.400 . 5.400 2.743 2.420 2.935 . 0 0 "[ . 1 . ]" 2
82 1 13 CYS H 1 14 ARG H 2.700 . 2.700 2.589 2.409 2.667 . 0 0 "[ . 1 . ]" 2
83 1 14 ARG HA 1 15 ASN H 3.400 . 3.400 3.439 3.387 3.469 0.069 3 0 "[ . 1 . ]" 2
84 1 14 ARG HA 1 16 HIS H 5.000 . 5.000 3.888 3.697 4.207 . 0 0 "[ . 1 . ]" 2
85 1 14 ARG HA 1 17 GLY H 5.000 . 5.000 2.871 2.628 3.307 . 0 0 "[ . 1 . ]" 2
86 1 14 ARG QB 1 15 ASN H 3.400 . 4.400 3.458 3.134 3.645 . 0 0 "[ . 1 . ]" 2
87 1 14 ARG QG 1 15 ASN HD22 3.400 . 4.400 4.062 3.917 4.330 . 0 0 "[ . 1 . ]" 2
88 1 14 ARG QG 1 15 ASN H 5.000 . 6.000 2.878 2.515 3.654 . 0 0 "[ . 1 . ]" 2
89 1 14 ARG QD 1 31 PHE HB3 5.000 . 7.000 6.390 6.274 6.432 . 0 0 "[ . 1 . ]" 2
90 1 31 PHE HB3 1 34 CYS HB3 5.000 . 5.000 2.666 2.404 2.854 . 0 0 "[ . 1 . ]" 2
91 1 14 ARG QG 1 17 GLY H 5.000 . 6.000 5.015 4.357 5.321 . 0 0 "[ . 1 . ]" 2
92 1 14 ARG H 1 15 ASN H 3.400 . 3.400 2.529 2.444 2.580 . 0 0 "[ . 1 . ]" 2
93 1 15 ASN HA 1 16 HIS H 5.000 . 5.000 3.484 3.469 3.507 . 0 0 "[ . 1 . ]" 2
94 1 15 ASN HB3 1 15 ASN HD21 3.400 . 3.400 3.280 3.210 3.369 . 0 0 "[ . 1 . ]" 2
95 1 15 ASN HB2 1 15 ASN HD22 3.400 . 3.400 3.458 3.453 3.463 0.063 14 0 "[ . 1 . ]" 2
96 1 15 ASN HB3 1 16 HIS HD2 2.700 . 2.700 2.877 2.843 2.951 0.251 10 0 "[ . 1 . ]" 2
97 1 15 ASN HB2 1 16 HIS HD2 2.700 . 2.700 1.772 1.756 1.792 . 0 0 "[ . 1 . ]" 2
98 1 15 ASN HB2 1 16 HIS H 5.000 . 5.000 2.570 2.524 2.618 . 0 0 "[ . 1 . ]" 2
99 1 15 ASN HB3 1 16 HIS H 3.400 . 3.400 3.497 3.469 3.534 0.134 3 0 "[ . 1 . ]" 2
100 1 15 ASN HD21 1 39 CYS HA 2.700 . 2.700 2.824 2.765 2.905 0.205 7 0 "[ . 1 . ]" 2
101 1 15 ASN HD21 1 16 HIS HD2 3.400 . 3.400 3.506 3.485 3.543 0.143 7 0 "[ . 1 . ]" 2
102 1 15 ASN HD22 1 16 HIS HD2 5.000 . 5.000 5.042 5.028 5.071 0.071 7 0 "[ . 1 . ]" 2
103 1 15 ASN HD22 1 38 LYS QB 5.000 . 6.000 4.277 3.942 4.577 . 0 0 "[ . 1 . ]" 2
104 1 15 ASN H 1 15 ASN HD21 5.000 . 5.000 2.669 2.286 2.896 . 0 0 "[ . 1 . ]" 2
105 1 15 ASN H 1 15 ASN HD22 3.400 . 3.400 3.431 3.169 3.517 0.117 4 0 "[ . 1 . ]" 2
106 1 16 HIS HB2 1 16 HIS HD2 3.400 . 3.400 2.904 2.865 2.959 . 0 0 "[ . 1 . ]" 2
107 1 16 HIS HB2 1 17 GLY H 5.500 . 5.500 3.195 3.116 3.269 . 0 0 "[ . 1 . ]" 2
108 1 16 HIS HB3 1 17 GLY H 5.500 . 5.500 4.131 4.066 4.192 . 0 0 "[ . 1 . ]" 2
109 1 16 HIS HB2 1 31 PHE QD 5.000 . 7.000 3.943 3.758 4.180 . 0 0 "[ . 1 . ]" 2
110 1 16 HIS HB3 1 31 PHE QD 5.000 . 7.000 4.641 4.439 4.899 . 0 0 "[ . 1 . ]" 2
111 1 16 HIS HB2 1 31 PHE QE 2.700 . 4.700 2.752 2.610 2.995 . 0 0 "[ . 1 . ]" 2
112 1 16 HIS HB3 1 31 PHE QE 2.700 . 4.700 2.757 2.613 2.939 . 0 0 "[ . 1 . ]" 2
113 1 16 HIS HB2 1 31 PHE HZ 3.400 . 3.400 2.713 2.490 2.965 . 0 0 "[ . 1 . ]" 2
114 1 16 HIS HB3 1 31 PHE HZ 5.000 . 5.000 3.086 2.987 3.180 . 0 0 "[ . 1 . ]" 2
115 1 16 HIS HD2 1 31 PHE HB3 5.000 . 5.000 3.678 3.303 4.150 . 0 0 "[ . 1 . ]" 2
116 1 16 HIS HD2 1 31 PHE HB2 5.000 . 5.000 4.485 4.136 4.861 . 0 0 "[ . 1 . ]" 2
117 1 16 HIS HD2 1 31 PHE QD 5.500 . 7.500 2.901 2.654 3.313 . 0 0 "[ . 1 . ]" 2
118 1 16 HIS HD2 1 31 PHE QE 5.500 . 7.500 3.493 3.373 3.728 . 0 0 "[ . 1 . ]" 2
119 1 16 HIS HD2 1 31 PHE HZ 5.500 . 5.500 4.825 4.651 4.978 . 0 0 "[ . 1 . ]" 2
120 1 16 HIS HD2 1 39 CYS HA 5.500 . 5.500 5.516 5.473 5.548 0.048 1 0 "[ . 1 . ]" 2
121 1 16 HIS HE1 1 31 PHE QD 5.000 . 7.000 3.866 3.549 4.054 . 0 0 "[ . 1 . ]" 2
122 1 16 HIS HE1 1 31 PHE QE 5.000 . 7.000 3.846 3.588 4.045 . 0 0 "[ . 1 . ]" 2
123 1 16 HIS HE1 1 36 CYS HB3 3.400 . 3.400 2.692 2.664 2.720 . 0 0 "[ . 1 . ]" 2
124 1 16 HIS HE1 1 36 CYS HB2 5.000 . 5.000 3.634 3.561 3.697 . 0 0 "[ . 1 . ]" 2
125 1 16 HIS HE1 1 36 CYS HA 5.000 . 5.000 5.181 5.159 5.207 0.207 16 0 "[ . 1 . ]" 2
126 1 15 ASN H 1 16 HIS H 2.700 . 2.700 2.698 2.478 2.790 0.090 14 0 "[ . 1 . ]" 2
127 1 16 HIS H 1 17 GLY H 2.700 . 2.700 2.258 2.207 2.322 . 0 0 "[ . 1 . ]" 2
128 1 16 HIS H 1 18 LEU H 3.400 . 3.400 3.383 3.299 3.445 0.045 6 0 "[ . 1 . ]" 2
129 1 17 GLY QA 1 18 LEU H 3.400 . 4.400 2.802 2.753 2.884 . 0 0 "[ . 1 . ]" 2
130 1 17 GLY H 1 18 LEU H 2.700 . 2.700 1.941 1.884 2.016 . 0 0 "[ . 1 . ]" 2
131 1 18 LEU HA 1 19 LYS H 2.700 . 2.700 2.336 2.308 2.387 . 0 0 "[ . 1 . ]" 2
132 1 18 LEU HB2 1 19 LYS H 5.000 . 5.000 4.289 4.243 4.314 . 0 0 "[ . 1 . ]" 2
133 1 18 LEU HB3 1 19 LYS H 3.400 . 3.400 3.426 3.339 3.474 0.074 13 0 "[ . 1 . ]" 2
134 1 18 LEU MD1 1 19 LYS HA 3.400 . 4.400 3.414 3.402 3.432 . 0 0 "[ . 1 . ]" 2
135 1 18 LEU MD1 1 19 LYS H 3.400 . 4.400 1.709 1.698 1.731 . 0 0 "[ . 1 . ]" 2
136 1 18 LEU MD2 1 19 LYS H 5.000 . 6.000 3.284 3.026 3.422 . 0 0 "[ . 1 . ]" 2
137 1 18 LEU MD1 1 21 THR H 5.000 . 6.000 4.929 4.903 4.961 . 0 0 "[ . 1 . ]" 2
138 1 18 LEU MD2 1 31 PHE QD 3.400 . 6.400 4.354 4.090 4.455 . 0 0 "[ . 1 . ]" 2
139 1 18 LEU MD2 1 31 PHE QE 2.700 . 5.700 2.466 2.093 2.636 . 0 0 "[ . 1 . ]" 2
140 1 18 LEU MD1 1 31 PHE QE 3.400 . 6.400 3.833 3.794 3.877 . 0 0 "[ . 1 . ]" 2
141 1 18 LEU MD2 1 31 PHE HZ 3.400 . 4.400 3.185 2.925 3.434 . 0 0 "[ . 1 . ]" 2
142 1 18 LEU HG 1 31 PHE QE 3.400 . 5.400 2.141 2.083 2.228 . 0 0 "[ . 1 . ]" 2
143 1 18 LEU HG 1 31 PHE QD 3.400 . 5.400 3.367 3.162 3.618 . 0 0 "[ . 1 . ]" 2
144 1 18 LEU H 1 19 LYS H 5.500 . 5.500 4.582 4.557 4.618 . 0 0 "[ . 1 . ]" 2
145 1 19 LYS HA 1 20 ILE H 2.700 . 2.700 2.290 2.262 2.311 . 0 0 "[ . 1 . ]" 2
146 1 19 LYS QD 1 20 ILE H 3.400 . 4.400 3.787 3.612 3.966 . 0 0 "[ . 1 . ]" 2
147 1 19 LYS H 1 20 ILE H 3.400 . 3.400 3.517 3.489 3.539 0.139 2 0 "[ . 1 . ]" 2
148 1 20 ILE HA 1 21 THR H 3.400 . 3.400 3.364 3.342 3.389 . 0 0 "[ . 1 . ]" 2
149 1 20 ILE HA 1 25 HIS HE1 5.500 . 5.500 5.599 5.578 5.618 0.118 9 0 "[ . 1 . ]" 2
150 1 20 ILE HB 1 25 HIS HE1 3.400 . 3.400 3.504 3.482 3.527 0.127 16 0 "[ . 1 . ]" 2
151 1 20 ILE MD 1 21 THR HA 6.000 . 7.000 4.164 4.132 4.183 . 0 0 "[ . 1 . ]" 2
152 1 20 ILE MD 1 21 THR H 2.700 . 3.700 2.668 2.608 2.695 . 0 0 "[ . 1 . ]" 2
153 1 20 ILE MD 1 23 LYS HA 6.000 . 7.000 5.742 5.723 5.766 . 0 0 "[ . 1 . ]" 2
154 1 20 ILE MD 1 25 HIS HD2 3.400 . 4.400 2.168 2.144 2.202 . 0 0 "[ . 1 . ]" 2
155 1 20 ILE MD 1 25 HIS HE1 2.700 . 3.700 2.986 2.933 3.018 . 0 0 "[ . 1 . ]" 2
156 1 20 ILE QG 1 21 THR HA 5.500 . 6.500 4.442 4.331 4.514 . 0 0 "[ . 1 . ]" 2
157 1 20 ILE QG 1 25 HIS HE1 3.400 . 4.400 3.014 2.885 3.138 . 0 0 "[ . 1 . ]" 2
158 1 20 ILE MG 1 21 THR H 3.400 . 4.400 3.549 3.477 3.616 . 0 0 "[ . 1 . ]" 2
159 1 20 ILE MG 1 25 HIS HE1 2.700 . 3.700 2.019 1.961 2.104 . 0 0 "[ . 1 . ]" 2
160 1 20 ILE MD 1 29 CYS HA 5.000 . 6.000 4.008 3.902 4.114 . 0 0 "[ . 1 . ]" 2
161 1 20 ILE MG 1 29 CYS HA 5.000 . 6.000 3.582 3.510 3.647 . 0 0 "[ . 1 . ]" 2
162 1 21 THR HA 1 22 LEU H 3.400 . 3.400 3.261 3.210 3.299 . 0 0 "[ . 1 . ]" 2
163 1 21 THR HB 1 22 LEU H 3.400 . 3.400 3.493 3.438 3.572 0.172 7 0 "[ . 1 . ]" 2
164 1 21 THR HG1 1 23 LYS H 3.400 . 4.400 3.445 3.290 3.600 . 0 0 "[ . 1 . ]" 2
165 1 22 LEU HA 1 23 LYS H 5.000 . 5.000 3.132 3.016 3.210 . 0 0 "[ . 1 . ]" 2
166 1 22 LEU HA 1 25 HIS HA 5.500 . 5.500 4.792 4.639 4.912 . 0 0 "[ . 1 . ]" 2
167 1 22 LEU HA 1 25 HIS HB3 2.700 . 2.700 2.131 1.977 2.282 . 0 0 "[ . 1 . ]" 2
168 1 22 LEU HA 1 25 HIS HB2 2.700 . 2.700 2.621 2.428 2.724 0.024 4 0 "[ . 1 . ]" 2
169 1 22 LEU HA 1 25 HIS HD2 2.700 . 2.700 2.868 2.829 2.902 0.202 8 0 "[ . 1 . ]" 2
170 1 22 LEU QB 1 25 HIS HD2 3.400 . 4.400 3.758 3.713 3.882 . 0 0 "[ . 1 . ]" 2
171 1 22 LEU QD 1 23 LYS HA 3.400 . 5.800 3.853 3.353 4.163 . 0 0 "[ . 1 . ]" 2
172 1 22 LEU QD 1 23 LYS H 5.000 . 7.400 3.996 3.613 4.273 . 0 0 "[ . 1 . ]" 2
173 1 22 LEU QD 1 25 HIS HB3 3.400 . 5.800 2.336 1.758 3.445 . 0 0 "[ . 1 . ]" 2
174 1 22 LEU QD 1 25 HIS HB2 5.000 . 7.400 3.570 3.024 4.478 . 0 0 "[ . 1 . ]" 2
175 1 22 LEU QD 1 25 HIS HD2 2.700 . 5.100 2.624 1.876 3.053 . 0 0 "[ . 1 . ]" 2
176 1 24 GLY QA 1 25 HIS H 5.000 . 6.000 2.530 2.435 2.629 . 0 0 "[ . 1 . ]" 2
177 1 25 HIS HA 1 28 TYR HB3 5.000 . 5.000 3.384 3.244 3.597 . 0 0 "[ . 1 . ]" 2
178 1 25 HIS HD2 1 28 TYR HB2 5.000 . 5.000 5.082 5.066 5.104 0.104 13 0 "[ . 1 . ]" 2
179 1 25 HIS HE1 1 28 TYR QD 5.000 . 6.000 5.576 5.466 5.674 . 0 0 "[ . 1 . ]" 2
180 1 25 HIS HD2 1 29 CYS HA 5.000 . 5.000 4.335 4.201 4.440 . 0 0 "[ . 1 . ]" 2
181 1 25 HIS HD2 1 29 CYS HB2 5.000 . 5.000 3.354 3.087 3.680 . 0 0 "[ . 1 . ]" 2
182 1 25 HIS HD2 1 26 LYS HA 3.400 . 3.400 3.438 3.383 3.493 0.093 17 0 "[ . 1 . ]" 2
183 1 25 HIS HE1 1 26 LYS HA 6.000 . 6.000 6.076 6.043 6.116 0.116 5 0 "[ . 1 . ]" 2
184 1 25 HIS HE1 1 28 TYR HB3 5.000 . 5.000 3.912 3.705 4.311 . 0 0 "[ . 1 . ]" 2
185 1 25 HIS HE1 1 28 TYR HB2 5.000 . 5.000 3.990 3.767 4.160 . 0 0 "[ . 1 . ]" 2
186 1 25 HIS HE1 1 29 CYS HA 2.700 . 2.700 2.137 2.086 2.187 . 0 0 "[ . 1 . ]" 2
187 1 25 HIS HE1 1 29 CYS HB3 5.000 . 5.000 5.019 4.948 5.055 0.055 14 0 "[ . 1 . ]" 2
188 1 25 HIS HE1 1 29 CYS HB2 5.000 . 5.000 4.059 3.886 4.262 . 0 0 "[ . 1 . ]" 2
189 1 25 HIS HE1 1 29 CYS H 5.000 . 5.000 4.206 3.967 4.355 . 0 0 "[ . 1 . ]" 2
190 1 25 HIS HE1 1 30 LYS H 3.400 . 3.400 3.477 3.322 3.576 0.176 10 0 "[ . 1 . ]" 2
191 1 26 LYS HA 1 29 CYS H 5.000 . 5.000 3.838 3.531 4.205 . 0 0 "[ . 1 . ]" 2
192 1 27 ARG HA 1 28 TYR H 5.000 . 5.000 3.499 3.460 3.532 . 0 0 "[ . 1 . ]" 2
193 1 27 ARG QB 1 28 TYR QD 5.000 . 8.000 3.085 2.126 3.863 . 0 0 "[ . 1 . ]" 2
194 1 27 ARG QB 1 28 TYR QE 3.400 . 6.400 3.496 2.610 4.121 . 0 0 "[ . 1 . ]" 2
195 1 27 ARG QB 1 28 TYR H 5.000 . 6.000 2.795 2.644 2.938 . 0 0 "[ . 1 . ]" 2
196 1 27 ARG QG 1 28 TYR HA 5.500 . 6.500 4.297 3.371 5.773 . 0 0 "[ . 1 . ]" 2
197 1 27 ARG QG 1 28 TYR QD 5.000 . 8.000 3.968 2.565 5.159 . 0 0 "[ . 1 . ]" 2
198 1 27 ARG QG 1 28 TYR QE 3.400 . 6.400 4.141 2.431 5.219 . 0 0 "[ . 1 . ]" 2
199 1 27 ARG H 1 28 TYR H 5.000 . 5.000 2.776 2.594 2.833 . 0 0 "[ . 1 . ]" 2
200 1 28 TYR HA 1 28 TYR QD 2.700 . 4.700 2.497 1.926 3.110 . 0 0 "[ . 1 . ]" 2
201 1 28 TYR HB3 1 28 TYR QD 2.700 . 4.700 2.529 2.299 2.763 . 0 0 "[ . 1 . ]" 2
202 1 28 TYR HB2 1 28 TYR QD 2.700 . 4.700 2.457 2.310 2.751 . 0 0 "[ . 1 . ]" 2
203 1 28 TYR HA 1 28 TYR QE 5.000 . 7.000 4.403 4.178 4.624 . 0 0 "[ . 1 . ]" 2
204 1 28 TYR HA 1 29 CYS H 3.400 . 3.400 3.266 3.097 3.429 0.029 11 0 "[ . 1 . ]" 2
205 1 29 CYS HA 1 30 LYS H 2.700 . 2.700 2.245 2.226 2.268 . 0 0 "[ . 1 . ]" 2
206 1 29 CYS HB3 1 30 LYS H 5.000 . 5.000 4.081 3.679 4.307 . 0 0 "[ . 1 . ]" 2
207 1 29 CYS HA 1 31 PHE H 5.000 . 5.000 3.367 3.290 3.489 . 0 0 "[ . 1 . ]" 2
208 1 29 CYS HB2 1 32 ARG HA 3.400 . 3.400 3.508 3.464 3.587 0.187 4 0 "[ . 1 . ]" 2
209 1 29 CYS HB3 1 32 ARG QB 2.700 . 3.700 1.934 1.756 2.394 . 0 0 "[ . 1 . ]" 2
210 1 29 CYS HB2 1 32 ARG QB 3.400 . 4.400 3.107 2.581 3.389 . 0 0 "[ . 1 . ]" 2
211 1 29 CYS H 1 31 PHE H 5.500 . 5.500 4.947 4.738 5.089 . 0 0 "[ . 1 . ]" 2
212 1 30 LYS HA 1 31 PHE H 3.400 . 3.400 3.350 3.131 3.446 0.046 13 0 "[ . 1 . ]" 2
213 1 30 LYS QB 1 31 PHE QD 3.400 . 6.400 2.649 2.422 2.822 . 0 0 "[ . 1 . ]" 2
214 1 30 LYS QB 1 31 PHE H 5.000 . 6.000 3.098 2.833 3.523 . 0 0 "[ . 1 . ]" 2
215 1 30 LYS QD 1 31 PHE HZ 3.400 . 4.400 3.302 2.694 4.028 . 0 0 "[ . 1 . ]" 2
216 1 30 LYS H 1 31 PHE H 2.700 . 2.700 2.493 2.258 2.620 . 0 0 "[ . 1 . ]" 2
217 1 30 LYS QE 1 31 PHE QE 5.000 . 7.000 4.203 2.198 5.050 . 0 0 "[ . 1 . ]" 2
218 1 30 LYS QE 1 31 PHE HZ 5.000 . 6.000 4.377 2.078 5.194 . 0 0 "[ . 1 . ]" 2
219 1 31 PHE HA 1 32 ARG H 3.400 . 3.400 3.208 3.113 3.268 . 0 0 "[ . 1 . ]" 2
220 1 31 PHE HA 1 34 CYS HB3 3.400 . 3.400 3.345 3.179 3.478 0.078 16 0 "[ . 1 . ]" 2
221 1 31 PHE HA 1 34 CYS HB2 3.400 . 3.400 1.983 1.861 2.128 . 0 0 "[ . 1 . ]" 2
222 1 31 PHE HA 1 34 CYS H 5.000 . 5.000 2.663 2.589 2.824 . 0 0 "[ . 1 . ]" 2
223 1 31 PHE H 1 31 PHE QD 2.700 . 4.700 2.097 1.855 2.529 . 0 0 "[ . 1 . ]" 2
224 1 31 PHE QD 1 34 CYS HB3 2.700 . 4.700 3.548 3.444 3.614 . 0 0 "[ . 1 . ]" 2
225 1 31 PHE QD 1 34 CYS HB2 2.700 . 4.700 2.698 2.542 2.779 . 0 0 "[ . 1 . ]" 2
226 1 30 LYS QB 1 31 PHE QE 5.000 . 8.000 2.239 1.864 2.496 . 0 0 "[ . 1 . ]" 2
227 1 31 PHE QE 1 32 ARG QD 5.000 . 8.000 6.419 6.328 6.487 . 0 0 "[ . 1 . ]" 2
228 1 31 PHE QE 1 34 CYS HB3 5.000 . 7.000 5.809 5.720 5.885 . 0 0 "[ . 1 . ]" 2
229 1 31 PHE QE 1 34 CYS HB2 3.400 . 5.400 4.827 4.752 4.896 . 0 0 "[ . 1 . ]" 2
230 1 30 LYS H 1 32 ARG H 5.500 . 5.500 3.967 3.791 4.085 . 0 0 "[ . 1 . ]" 2
231 1 32 ARG HA 1 33 TYR H 3.400 . 3.400 3.474 3.451 3.501 0.101 12 0 "[ . 1 . ]" 2
232 1 32 ARG HA 1 33 TYR QE 5.000 . 6.000 5.477 5.124 5.673 . 0 0 "[ . 1 . ]" 2
233 1 32 ARG HA 1 33 TYR QD 5.000 . 6.000 4.880 4.533 5.042 . 0 0 "[ . 1 . ]" 2
234 1 32 ARG QB 1 33 TYR QD 3.400 . 6.400 3.911 3.334 4.225 . 0 0 "[ . 1 . ]" 2
235 1 32 ARG QB 1 33 TYR QE 5.000 . 8.000 3.885 3.241 4.383 . 0 0 "[ . 1 . ]" 2
236 1 29 CYS HA 1 32 ARG QB 5.000 . 6.000 4.282 3.971 5.006 . 0 0 "[ . 1 . ]" 2
237 1 32 ARG QB 1 33 TYR H 5.000 . 6.000 3.459 3.321 3.590 . 0 0 "[ . 1 . ]" 2
238 1 32 ARG QD 1 33 TYR QE 3.400 . 6.400 4.197 3.608 4.789 . 0 0 "[ . 1 . ]" 2
239 1 32 ARG QG 1 33 TYR QD 3.400 . 6.400 2.837 1.920 3.795 . 0 0 "[ . 1 . ]" 2
240 1 32 ARG QG 1 33 TYR QE 3.400 . 6.400 3.112 2.513 3.783 . 0 0 "[ . 1 . ]" 2
241 1 32 ARG H 1 33 TYR H 2.700 . 2.700 2.829 2.773 2.876 0.176 16 0 "[ . 1 . ]" 2
242 1 33 TYR HB3 1 33 TYR QD 2.700 . 4.700 2.746 2.654 2.788 . 0 0 "[ . 1 . ]" 2
243 1 33 TYR HB2 1 33 TYR QD 2.700 . 4.700 2.342 2.303 2.390 . 0 0 "[ . 1 . ]" 2
244 1 33 TYR HA 1 34 CYS H 5.000 . 5.000 3.285 3.123 3.367 . 0 0 "[ . 1 . ]" 2
245 1 33 TYR HA 1 35 THR HG1 5.000 . 6.000 4.473 4.290 4.658 . 0 0 "[ . 1 . ]" 2
246 1 32 ARG QD 1 33 TYR QD 5.000 . 8.000 2.974 2.079 3.899 . 0 0 "[ . 1 . ]" 2
247 1 33 TYR H 1 34 CYS H 2.700 . 2.700 2.004 1.875 2.266 . 0 0 "[ . 1 . ]" 2
248 1 34 CYS HA 1 35 THR H 2.700 . 2.700 2.487 2.457 2.518 . 0 0 "[ . 1 . ]" 2
249 1 34 CYS HA 1 36 CYS H 5.000 . 5.000 4.096 4.048 4.163 . 0 0 "[ . 1 . ]" 2
250 1 34 CYS HB2 1 35 THR H 5.000 . 5.000 3.923 3.908 3.934 . 0 0 "[ . 1 . ]" 2
251 1 34 CYS HB3 1 35 THR H 3.400 . 3.400 3.516 3.488 3.543 0.143 12 0 "[ . 1 . ]" 2
252 1 34 CYS HB2 1 39 CYS HB3 5.000 . 5.000 4.953 4.834 5.017 0.017 8 0 "[ . 1 . ]" 2
253 1 34 CYS HB2 1 39 CYS HB2 5.000 . 5.000 5.069 5.036 5.109 0.109 16 0 "[ . 1 . ]" 2
254 1 34 CYS HB3 1 39 CYS HB3 5.500 . 5.500 3.201 3.093 3.280 . 0 0 "[ . 1 . ]" 2
255 1 34 CYS HB3 1 39 CYS HB2 5.500 . 5.500 3.542 3.496 3.627 . 0 0 "[ . 1 . ]" 2
256 1 34 CYS H 1 35 THR H 5.500 . 5.500 4.691 4.660 4.702 . 0 0 "[ . 1 . ]" 2
257 1 35 THR HA 1 36 CYS HA 5.000 . 5.000 4.959 4.921 4.984 . 0 0 "[ . 1 . ]" 2
258 1 35 THR HA 1 36 CYS H 3.400 . 3.400 3.304 3.222 3.350 . 0 0 "[ . 1 . ]" 2
259 1 35 THR HA 1 39 CYS HB3 5.000 . 5.000 3.707 3.479 4.011 . 0 0 "[ . 1 . ]" 2
260 1 35 THR HA 1 39 CYS HB2 5.000 . 5.000 3.847 3.727 4.084 . 0 0 "[ . 1 . ]" 2
261 1 35 THR HA 1 40 ARG HA 5.000 . 5.000 5.054 5.006 5.092 0.092 16 0 "[ . 1 . ]" 2
262 1 35 THR HA 1 40 ARG QB 5.000 . 6.000 4.514 4.225 4.946 . 0 0 "[ . 1 . ]" 2
263 1 35 THR HA 1 40 ARG QD 3.400 . 4.400 2.994 2.053 3.488 . 0 0 "[ . 1 . ]" 2
264 1 35 THR HA 1 40 ARG QG 3.400 . 4.400 2.905 2.529 3.380 . 0 0 "[ . 1 . ]" 2
265 1 35 THR HB 1 40 ARG QD 3.400 . 4.400 3.026 2.422 3.407 . 0 0 "[ . 1 . ]" 2
266 1 35 THR H 1 36 CYS H 3.400 . 3.400 1.869 1.824 1.959 . 0 0 "[ . 1 . ]" 2
267 1 36 CYS H 1 36 CYS HB3 3.400 . 3.400 2.255 2.222 2.293 . 0 0 "[ . 1 . ]" 2
268 1 36 CYS HB2 1 37 GLU H 2.700 . 2.700 2.559 2.310 2.732 0.032 8 0 "[ . 1 . ]" 2
269 1 36 CYS HB3 1 37 GLU H 5.000 . 5.000 3.954 3.786 4.061 . 0 0 "[ . 1 . ]" 2
270 1 36 CYS HB2 1 38 LYS H 5.500 . 5.500 3.126 3.025 3.190 . 0 0 "[ . 1 . ]" 2
271 1 36 CYS H 1 37 GLU H 5.000 . 5.000 4.700 4.637 4.726 . 0 0 "[ . 1 . ]" 2
272 1 36 CYS H 1 39 CYS HB3 5.000 . 5.000 4.244 4.083 4.393 . 0 0 "[ . 1 . ]" 2
273 1 36 CYS H 1 39 CYS HB2 5.500 . 5.500 3.127 2.960 3.257 . 0 0 "[ . 1 . ]" 2
274 1 37 GLU HA 1 38 LYS H 3.400 . 3.400 3.321 3.270 3.346 . 0 0 "[ . 1 . ]" 2
275 1 37 GLU HA 1 40 ARG QB 3.400 . 4.400 2.633 2.462 2.759 . 0 0 "[ . 1 . ]" 2
276 1 37 GLU HA 1 40 ARG QD 3.400 . 4.400 3.412 2.691 4.016 . 0 0 "[ . 1 . ]" 2
277 1 37 GLU HA 1 40 ARG QG 5.000 . 6.000 4.393 3.094 4.906 . 0 0 "[ . 1 . ]" 2
278 1 37 GLU HA 1 40 ARG H 3.400 . 3.400 3.445 3.358 3.469 0.069 3 0 "[ . 1 . ]" 2
279 1 37 GLU QB 1 40 ARG QD 5.000 . 7.000 4.809 4.341 5.311 . 0 0 "[ . 1 . ]" 2
280 1 37 GLU QG 1 38 LYS HA 5.000 . 6.000 4.153 3.474 5.256 . 0 0 "[ . 1 . ]" 2
281 1 37 GLU QG 1 38 LYS H 5.500 . 6.500 3.663 2.562 4.639 . 0 0 "[ . 1 . ]" 2
282 1 37 GLU H 1 38 LYS H 2.700 . 2.700 2.647 2.551 2.720 0.020 16 0 "[ . 1 . ]" 2
283 1 38 LYS HA 1 39 CYS H 5.000 . 5.000 3.420 3.405 3.430 . 0 0 "[ . 1 . ]" 2
284 1 38 LYS HA 1 41 LEU QB 5.000 . 6.000 2.209 2.047 3.188 . 0 0 "[ . 1 . ]" 2
285 1 38 LYS HA 1 41 LEU HG 3.400 . 3.400 3.414 2.701 3.484 0.084 9 0 "[ . 1 . ]" 2
286 1 38 LYS QB 1 39 CYS H 2.700 . 3.700 2.963 2.866 3.051 . 0 0 "[ . 1 . ]" 2
287 1 38 LYS H 1 39 CYS HB3 5.000 . 5.000 5.208 5.179 5.248 0.248 8 0 "[ . 1 . ]" 2
288 1 38 LYS H 1 39 CYS HB2 5.000 . 5.000 3.640 3.622 3.682 . 0 0 "[ . 1 . ]" 2
289 1 38 LYS H 1 39 CYS H 2.700 . 2.700 2.004 1.963 2.066 . 0 0 "[ . 1 . ]" 2
290 1 38 LYS H 1 40 ARG H 5.000 . 5.000 3.580 3.448 3.681 . 0 0 "[ . 1 . ]" 2
291 1 15 ASN HD22 1 39 CYS HA 2.700 . 2.700 2.343 2.195 2.460 . 0 0 "[ . 1 . ]" 2
292 1 39 CYS HA 1 40 ARG H 5.000 . 5.000 3.551 3.530 3.573 . 0 0 "[ . 1 . ]" 2
293 1 39 CYS HA 1 42 THR H 3.400 . 3.400 3.435 3.362 3.470 0.070 7 0 "[ . 1 . ]" 2
294 1 39 CYS HA 1 42 THR HB 2.700 . 2.700 2.619 2.282 2.741 0.041 6 0 "[ . 1 . ]" 2
295 1 39 CYS H 1 40 ARG H 2.700 . 2.700 2.192 2.144 2.229 . 0 0 "[ . 1 . ]" 2
296 1 39 CYS HB2 1 42 THR HB 6.000 . 6.000 5.336 5.080 5.505 . 0 0 "[ . 1 . ]" 2
297 1 40 ARG HA 1 41 LEU H 3.400 . 3.400 3.514 3.492 3.548 0.148 8 0 "[ . 1 . ]" 2
298 1 40 ARG HA 1 43 ALA MB 2.700 . 3.700 2.863 2.746 3.000 . 0 0 "[ . 1 . ]" 2
299 1 40 ARG H 1 41 LEU H 2.700 . 2.700 2.401 2.337 2.492 . 0 0 "[ . 1 . ]" 2
300 1 40 ARG H 1 42 THR H 5.500 . 5.500 3.803 3.675 4.072 . 0 0 "[ . 1 . ]" 2
301 1 41 LEU HA 1 42 THR HA 5.000 . 5.000 4.833 4.764 4.941 . 0 0 "[ . 1 . ]" 2
302 1 41 LEU HA 1 42 THR H 3.400 . 3.400 3.500 3.475 3.535 0.135 6 0 "[ . 1 . ]" 2
303 1 41 LEU HA 1 44 ASP QB 2.700 . 3.700 2.434 2.206 2.648 . 0 0 "[ . 1 . ]" 2
304 1 41 LEU QB 1 42 THR H 2.700 . 3.700 2.845 2.461 3.336 . 0 0 "[ . 1 . ]" 2
305 1 41 LEU QB 1 45 ARG H 5.000 . 6.000 5.287 4.726 5.446 . 0 0 "[ . 1 . ]" 2
306 1 41 LEU QD 1 42 THR H 5.000 . 7.400 3.457 2.045 3.726 . 0 0 "[ . 1 . ]" 2
307 1 41 LEU HG 1 45 ARG H 5.000 . 5.000 4.911 4.662 5.077 0.077 6 0 "[ . 1 . ]" 2
308 1 41 LEU H 1 42 THR H 2.700 . 2.700 2.531 2.448 2.625 . 0 0 "[ . 1 . ]" 2
309 1 42 THR HA 1 43 ALA H 3.400 . 3.400 3.545 3.531 3.556 0.156 5 0 "[ . 1 . ]" 2
310 1 42 THR H 1 43 ALA H 3.400 . 3.400 2.894 2.716 3.071 . 0 0 "[ . 1 . ]" 2
311 1 42 THR HA 1 45 ARG QD 5.000 . 6.000 3.961 2.894 5.136 . 0 0 "[ . 1 . ]" 2
312 1 42 THR HA 1 45 ARG H 3.400 . 3.400 3.116 3.039 3.185 . 0 0 "[ . 1 . ]" 2
313 1 42 THR HG1 1 45 ARG QB 2.700 . 4.700 3.373 3.301 3.440 . 0 0 "[ . 1 . ]" 2
314 1 42 THR HG1 1 43 ALA H 3.400 . 4.400 2.447 2.123 2.688 . 0 0 "[ . 1 . ]" 2
315 1 42 THR HG1 1 46 GLN H 5.000 . 6.000 4.284 3.802 4.669 . 0 0 "[ . 1 . ]" 2
316 1 42 THR HB 1 44 ASP QB 5.000 . 6.000 5.453 5.405 5.491 . 0 0 "[ . 1 . ]" 2
317 1 43 ALA MB 1 44 ASP HA 5.500 . 6.500 3.861 3.767 3.952 . 0 0 "[ . 1 . ]" 2
318 1 43 ALA MB 1 44 ASP H 2.700 . 3.700 2.693 2.525 2.798 . 0 0 "[ . 1 . ]" 2
319 1 44 ASP HA 1 45 ARG QB 5.000 . 6.000 5.115 5.073 5.152 . 0 0 "[ . 1 . ]" 2
320 1 44 ASP HA 1 47 ARG QB 5.000 . 6.000 3.111 2.030 5.204 . 0 0 "[ . 1 . ]" 2
321 1 44 ASP HA 1 47 ARG QD 5.000 . 6.000 4.044 2.627 5.225 . 0 0 "[ . 1 . ]" 2
322 1 44 ASP HA 1 47 ARG QG 5.000 . 6.000 3.978 2.367 5.220 . 0 0 "[ . 1 . ]" 2
323 1 44 ASP QB 1 46 GLN H 5.000 . 6.000 4.546 4.197 4.997 . 0 0 "[ . 1 . ]" 2
324 1 45 ARG QB 1 46 GLN H 5.000 . 6.000 2.714 2.107 3.026 . 0 0 "[ . 1 . ]" 2
325 1 46 GLN QB 1 47 ARG H 5.000 . 6.000 3.001 2.118 3.918 . 0 0 "[ . 1 . ]" 2
326 1 47 ARG HA 1 48 VAL H 2.700 . 2.700 2.384 2.213 2.673 . 0 0 "[ . 1 . ]" 2
327 1 47 ARG QB 1 48 VAL H 5.000 . 6.000 3.642 2.744 4.059 . 0 0 "[ . 1 . ]" 2
328 1 48 VAL HA 1 49 MET H 2.700 . 2.700 2.447 2.213 2.741 0.041 15 0 "[ . 1 . ]" 2
329 1 49 MET HA 1 50 ALA H 3.400 . 3.400 3.018 2.269 3.557 0.157 3 0 "[ . 1 . ]" 2
330 1 51 LEU HA 1 52 GLN H 2.700 . 2.700 2.387 2.208 2.651 . 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 34
_Distance_constraint_stats_list.Viol_count 196
_Distance_constraint_stats_list.Viol_total 166.702
_Distance_constraint_stats_list.Viol_max 0.151
_Distance_constraint_stats_list.Viol_rms 0.0297
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0151
_Distance_constraint_stats_list.Viol_average_violations_only 0.0473
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 9 ASN 0.103 0.011 5 0 "[ . 1 . ]"
1 10 CYS 2.772 0.126 8 0 "[ . 1 . ]"
1 11 ALA 1.542 0.151 10 0 "[ . 1 . ]"
1 12 ARG 0.398 0.114 6 0 "[ . 1 . ]"
1 13 CYS 3.341 0.104 10 0 "[ . 1 . ]"
1 14 ARG 2.998 0.151 10 0 "[ . 1 . ]"
1 17 GLY 2.527 0.104 10 0 "[ . 1 . ]"
1 29 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 31 PHE 0.000 0.000 . 0 "[ . 1 . ]"
1 34 CYS 0.000 0.000 . 0 "[ . 1 . ]"
1 36 CYS 0.457 0.082 9 0 "[ . 1 . ]"
1 37 GLU 1.698 0.118 8 0 "[ . 1 . ]"
1 38 LYS 0.224 0.047 10 0 "[ . 1 . ]"
1 39 CYS 0.032 0.013 2 0 "[ . 1 . ]"
1 40 ARG 0.431 0.082 9 0 "[ . 1 . ]"
1 41 LEU 1.698 0.118 8 0 "[ . 1 . ]"
1 42 THR 0.258 0.047 10 0 "[ . 1 . ]"
1 43 ALA 0.007 0.007 6 0 "[ . 1 . ]"
1 44 ASP 0.000 0.000 . 0 "[ . 1 . ]"
1 45 ARG 0.000 0.000 . 0 "[ . 1 . ]"
1 46 GLN 0.035 0.034 16 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 10 CYS SG 1 13 CYS H 2.800 2.200 2.800 2.781 2.740 2.807 0.007 5 0 "[ . 1 . ]" 3
2 1 10 CYS SG 1 13 CYS N 3.700 3.100 3.700 3.744 3.713 3.762 0.062 4 0 "[ . 1 . ]" 3
3 1 10 CYS SG 1 12 ARG H 2.800 2.200 2.800 2.754 2.505 2.914 0.114 6 0 "[ . 1 . ]" 3
4 1 10 CYS SG 1 12 ARG N 3.700 3.100 3.700 3.419 3.336 3.492 . 0 0 "[ . 1 . ]" 3
5 1 34 CYS SG 1 36 CYS H 2.800 2.200 2.800 2.519 2.496 2.562 . 0 0 "[ . 1 . ]" 3
6 1 34 CYS SG 1 36 CYS N 3.700 3.100 3.700 3.487 3.465 3.527 . 0 0 "[ . 1 . ]" 3
7 1 36 CYS SG 1 38 LYS H 2.800 2.200 2.800 2.460 2.430 2.484 . 0 0 "[ . 1 . ]" 3
8 1 36 CYS SG 1 38 LYS N 3.700 3.100 3.700 3.321 3.287 3.349 . 0 0 "[ . 1 . ]" 3
9 1 36 CYS SG 1 39 CYS H 2.800 2.200 2.800 2.433 2.408 2.454 . 0 0 "[ . 1 . ]" 3
10 1 36 CYS SG 1 39 CYS N 3.700 3.100 3.700 3.125 3.087 3.176 0.013 2 0 "[ . 1 . ]" 3
11 1 36 CYS O 1 40 ARG H 2.600 . 2.600 2.377 2.290 2.464 . 0 0 "[ . 1 . ]" 3
12 1 36 CYS O 1 40 ARG N 3.300 . 3.300 3.318 3.252 3.382 0.082 9 0 "[ . 1 . ]" 3
13 1 29 CYS SG 1 31 PHE H 2.800 2.200 2.800 2.594 2.489 2.747 . 0 0 "[ . 1 . ]" 3
14 1 29 CYS SG 1 31 PHE N 3.700 3.100 3.700 3.392 3.317 3.502 . 0 0 "[ . 1 . ]" 3
15 1 10 CYS O 1 14 ARG H 2.600 . 2.600 2.598 2.537 2.676 0.076 6 0 "[ . 1 . ]" 3
16 1 10 CYS O 1 14 ARG N 3.300 . 3.300 3.345 3.173 3.426 0.126 8 0 "[ . 1 . ]" 3
17 1 13 CYS O 1 17 GLY H 2.600 . 2.600 2.661 2.644 2.678 0.078 10 0 "[ . 1 . ]" 3
18 1 13 CYS O 1 17 GLY N 3.300 . 3.300 3.380 3.339 3.404 0.104 10 0 "[ . 1 . ]" 3
19 1 39 CYS O 1 43 ALA H 2.600 . 2.600 2.168 1.927 2.351 . 0 0 "[ . 1 . ]" 3
20 1 39 CYS O 1 43 ALA N 3.300 . 3.300 3.092 2.805 3.307 0.007 6 0 "[ . 1 . ]" 3
21 1 11 ALA O 1 14 ARG H 2.600 . 2.600 2.529 1.936 2.697 0.097 11 0 "[ . 1 . ]" 3
22 1 11 ALA O 1 14 ARG N 3.300 . 3.300 3.181 2.600 3.451 0.151 10 0 "[ . 1 . ]" 3
23 1 37 GLU O 1 41 LEU H 2.600 . 2.600 2.616 2.550 2.641 0.041 6 0 "[ . 1 . ]" 3
24 1 37 GLU O 1 41 LEU N 3.300 . 3.300 3.375 3.336 3.418 0.118 8 0 "[ . 1 . ]" 3
25 1 38 LYS O 1 42 THR H 2.600 . 2.600 2.539 2.394 2.614 0.014 10 0 "[ . 1 . ]" 3
26 1 38 LYS O 1 42 THR N 3.300 . 3.300 3.272 3.125 3.347 0.047 10 0 "[ . 1 . ]" 3
27 1 40 ARG O 1 44 ASP H 2.600 . 2.600 2.200 1.895 2.482 . 0 0 "[ . 1 . ]" 3
28 1 40 ARG O 1 44 ASP N 3.300 . 3.300 2.991 2.710 3.254 . 0 0 "[ . 1 . ]" 3
29 1 41 LEU O 1 45 ARG H 2.600 . 2.600 2.018 1.465 2.280 . 0 0 "[ . 1 . ]" 3
30 1 41 LEU O 1 45 ARG N 3.300 . 3.300 2.834 2.411 3.149 . 0 0 "[ . 1 . ]" 3
31 1 42 THR O 1 46 GLN H 2.600 . 2.600 2.315 2.022 2.513 . 0 0 "[ . 1 . ]" 3
32 1 42 THR O 1 46 GLN N 3.300 . 3.300 3.168 2.859 3.334 0.034 16 0 "[ . 1 . ]" 3
33 1 9 ASN O 1 10 CYS H 15.000 . 15.000 3.068 3.063 3.074 . 0 0 "[ . 1 . ]" 3
34 1 9 ASN O 1 10 CYS N 15.000 2.200 15.000 2.194 2.189 2.203 0.011 5 0 "[ . 1 . ]" 3
stop_
save_
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