Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
487381 | 2koz RC | 16539 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2koz
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 394
_Distance_constraint_stats_list.Viol_count 413
_Distance_constraint_stats_list.Viol_total 299.823
_Distance_constraint_stats_list.Viol_max 0.169
_Distance_constraint_stats_list.Viol_rms 0.0096
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0012
_Distance_constraint_stats_list.Viol_average_violations_only 0.0290
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ALA 0.122 0.070 7 0 "[ . 1 . 2 .]"
1 2 CYS 1.354 0.070 7 0 "[ . 1 . 2 .]"
1 3 ASN 0.144 0.070 23 0 "[ . 1 . 2 .]"
1 4 ASP 0.112 0.021 7 0 "[ . 1 . 2 .]"
1 5 ARG 0.227 0.055 8 0 "[ . 1 . 2 .]"
1 6 ASP 0.416 0.028 24 0 "[ . 1 . 2 .]"
1 7 CYS 0.476 0.043 9 0 "[ . 1 . 2 .]"
1 8 SER 0.720 0.039 9 0 "[ . 1 . 2 .]"
1 9 LEU 0.566 0.045 3 0 "[ . 1 . 2 .]"
1 10 ASP 0.401 0.020 19 0 "[ . 1 . 2 .]"
1 11 CYS 0.490 0.039 9 0 "[ . 1 . 2 .]"
1 12 ILE 0.477 0.056 9 0 "[ . 1 . 2 .]"
1 13 MET 0.932 0.077 10 0 "[ . 1 . 2 .]"
1 14 LYS 0.943 0.085 17 0 "[ . 1 . 2 .]"
1 15 GLY 3.914 0.169 10 0 "[ . 1 . 2 .]"
1 16 TYR 1.829 0.133 7 0 "[ . 1 . 2 .]"
1 17 ASN 0.040 0.029 4 0 "[ . 1 . 2 .]"
1 18 THR 0.187 0.034 6 0 "[ . 1 . 2 .]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 20 SER 0.029 0.018 17 0 "[ . 1 . 2 .]"
1 21 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 22 VAL 0.012 0.012 10 0 "[ . 1 . 2 .]"
1 23 ARG 0.309 0.057 17 0 "[ . 1 . 2 .]"
1 24 GLY 0.220 0.057 17 0 "[ . 1 . 2 .]"
1 25 SER 0.455 0.059 13 0 "[ . 1 . 2 .]"
1 26 CYS 0.538 0.105 16 0 "[ . 1 . 2 .]"
1 27 GLN 0.031 0.013 12 0 "[ . 1 . 2 .]"
1 28 CYS 0.013 0.009 23 0 "[ . 1 . 2 .]"
1 29 ARG 0.072 0.029 16 0 "[ . 1 . 2 .]"
1 30 ARG 0.073 0.046 8 0 "[ . 1 . 2 .]"
1 31 THR 0.029 0.029 4 0 "[ . 1 . 2 .]"
1 32 SER 0.000 0.000 . 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 ALA HA 1 2 CYS H 2.650 . 3.500 2.630 2.210 3.570 0.070 7 0 "[ . 1 . 2 .]" 1
2 1 1 ALA MB 1 2 CYS H 3.650 . 5.500 3.110 1.863 3.737 . 0 0 "[ . 1 . 2 .]" 1
3 1 2 CYS HA 1 2 CYS HB2 2.300 . 2.800 2.393 2.353 2.476 . 0 0 "[ . 1 . 2 .]" 1
4 1 2 CYS H 1 2 CYS HB3 2.650 . 3.500 2.288 2.147 2.538 . 0 0 "[ . 1 . 2 .]" 1
5 1 2 CYS H 1 2 CYS HB2 2.650 . 3.500 3.249 2.737 3.546 0.046 21 0 "[ . 1 . 2 .]" 1
6 1 2 CYS HB3 1 25 SER HA 3.400 . 5.000 3.648 2.591 4.910 . 0 0 "[ . 1 . 2 .]" 1
7 1 2 CYS HB2 1 25 SER HA 2.650 . 3.500 3.459 2.977 3.559 0.059 13 0 "[ . 1 . 2 .]" 1
8 1 2 CYS HA 1 3 ASN H 2.650 . 3.500 2.733 2.210 3.570 0.070 23 0 "[ . 1 . 2 .]" 1
9 1 3 ASN HA 1 3 ASN QB 2.450 . 3.100 2.452 2.198 2.550 . 0 0 "[ . 1 . 2 .]" 1
10 1 3 ASN H 1 3 ASN QB 3.550 . 5.300 2.621 1.964 3.351 . 0 0 "[ . 1 . 2 .]" 1
11 1 3 ASN H 1 7 CYS HB2 3.900 . 6.000 4.077 2.729 5.999 . 0 0 "[ . 1 . 2 .]" 1
12 1 3 ASN HA 1 4 ASP H 2.300 . 2.800 2.277 2.213 2.506 . 0 0 "[ . 1 . 2 .]" 1
13 1 3 ASN QB 1 4 ASP H 3.550 . 5.300 3.467 2.774 4.003 . 0 0 "[ . 1 . 2 .]" 1
14 1 4 ASP H 1 4 ASP HA 2.650 . 3.500 2.860 2.825 2.936 . 0 0 "[ . 1 . 2 .]" 1
15 1 4 ASP H 1 4 ASP HB3 3.400 . 5.000 2.801 2.265 3.523 . 0 0 "[ . 1 . 2 .]" 1
16 1 4 ASP H 1 4 ASP HB2 2.650 . 3.500 2.555 1.939 3.521 0.021 7 0 "[ . 1 . 2 .]" 1
17 1 4 ASP H 1 5 ARG H 2.650 . 3.500 2.662 2.407 2.827 . 0 0 "[ . 1 . 2 .]" 1
18 1 4 ASP HA 1 20 SER HA 2.650 . 3.500 3.138 2.727 3.510 0.010 21 0 "[ . 1 . 2 .]" 1
19 1 3 ASN HA 1 5 ARG H 3.400 . 5.000 3.853 3.292 4.664 . 0 0 "[ . 1 . 2 .]" 1
20 1 3 ASN QB 1 5 ARG H 3.550 . 5.300 3.072 2.451 4.084 . 0 0 "[ . 1 . 2 .]" 1
21 1 4 ASP HA 1 5 ARG H 3.400 . 5.000 3.509 3.446 3.588 . 0 0 "[ . 1 . 2 .]" 1
22 1 4 ASP HB3 1 5 ARG H 3.400 . 5.000 3.317 2.414 4.241 . 0 0 "[ . 1 . 2 .]" 1
23 1 4 ASP HB2 1 5 ARG H 3.400 . 5.000 3.620 2.348 4.145 . 0 0 "[ . 1 . 2 .]" 1
24 1 5 ARG HA 1 5 ARG QB 2.450 . 3.100 2.512 2.409 2.551 . 0 0 "[ . 1 . 2 .]" 1
25 1 5 ARG HA 1 5 ARG HD3 3.400 . 5.000 3.663 2.235 4.490 . 0 0 "[ . 1 . 2 .]" 1
26 1 5 ARG HA 1 5 ARG HD2 2.650 . 3.500 2.990 1.881 3.519 0.019 8 0 "[ . 1 . 2 .]" 1
27 1 5 ARG HA 1 5 ARG HG3 2.650 . 3.500 2.837 1.925 3.532 0.032 15 0 "[ . 1 . 2 .]" 1
28 1 5 ARG HA 1 5 ARG HG2 2.650 . 3.500 2.773 1.948 3.555 0.055 8 0 "[ . 1 . 2 .]" 1
29 1 5 ARG H 1 5 ARG HA 2.650 . 3.500 2.884 2.846 2.923 . 0 0 "[ . 1 . 2 .]" 1
30 1 5 ARG H 1 5 ARG QB 2.800 . 3.800 2.012 1.924 2.159 . 0 0 "[ . 1 . 2 .]" 1
31 1 5 ARG QB 1 5 ARG HD3 3.550 . 5.300 2.951 2.007 3.486 . 0 0 "[ . 1 . 2 .]" 1
32 1 5 ARG HD3 1 5 ARG HG2 2.650 . 3.500 2.432 2.268 3.035 . 0 0 "[ . 1 . 2 .]" 1
33 1 5 ARG QB 1 5 ARG HD2 2.800 . 3.800 2.420 1.949 3.414 . 0 0 "[ . 1 . 2 .]" 1
34 1 5 ARG H 1 5 ARG HG3 3.400 . 5.000 4.084 3.428 4.462 . 0 0 "[ . 1 . 2 .]" 1
35 1 5 ARG H 1 5 ARG HG2 3.400 . 5.000 4.016 2.949 4.612 . 0 0 "[ . 1 . 2 .]" 1
36 1 5 ARG HE 1 9 LEU MD1 4.150 . 6.500 4.581 3.185 5.484 . 0 0 "[ . 1 . 2 .]" 1
37 1 5 ARG HA 1 6 ASP H 3.400 . 5.000 3.584 3.555 3.593 . 0 0 "[ . 1 . 2 .]" 1
38 1 5 ARG QB 1 6 ASP H 2.800 . 3.800 2.298 1.951 2.609 . 0 0 "[ . 1 . 2 .]" 1
39 1 5 ARG HG3 1 6 ASP H 3.900 . 6.000 4.597 3.969 5.118 . 0 0 "[ . 1 . 2 .]" 1
40 1 5 ARG HG2 1 6 ASP H 3.400 . 5.000 4.525 3.567 4.887 . 0 0 "[ . 1 . 2 .]" 1
41 1 6 ASP HA 1 6 ASP HB3 2.300 . 2.800 2.617 2.384 2.808 0.008 2 0 "[ . 1 . 2 .]" 1
42 1 6 ASP H 1 6 ASP HA 2.650 . 3.500 2.900 2.889 2.924 . 0 0 "[ . 1 . 2 .]" 1
43 1 6 ASP H 1 6 ASP HB3 2.650 . 3.500 3.273 2.325 3.525 0.025 20 0 "[ . 1 . 2 .]" 1
44 1 6 ASP H 1 6 ASP HB2 2.650 . 3.500 2.366 1.957 3.528 0.028 24 0 "[ . 1 . 2 .]" 1
45 1 4 ASP HA 1 7 CYS HB3 2.650 . 3.500 2.556 1.878 3.511 0.011 15 0 "[ . 1 . 2 .]" 1
46 1 4 ASP HA 1 7 CYS HB2 3.400 . 5.000 3.019 2.018 3.824 . 0 0 "[ . 1 . 2 .]" 1
47 1 4 ASP HA 1 7 CYS H 3.400 . 5.000 3.553 3.231 3.779 . 0 0 "[ . 1 . 2 .]" 1
48 1 6 ASP HA 1 7 CYS H 3.400 . 5.000 3.514 3.453 3.559 . 0 0 "[ . 1 . 2 .]" 1
49 1 6 ASP HB3 1 7 CYS H 3.400 . 5.000 3.652 3.258 4.178 . 0 0 "[ . 1 . 2 .]" 1
50 1 6 ASP HB2 1 7 CYS H 3.400 . 5.000 3.123 2.650 4.085 . 0 0 "[ . 1 . 2 .]" 1
51 1 6 ASP H 1 7 CYS H 2.650 . 3.500 2.533 2.451 2.573 . 0 0 "[ . 1 . 2 .]" 1
52 1 7 CYS HA 1 7 CYS HB3 2.650 . 3.500 2.972 2.485 3.040 . 0 0 "[ . 1 . 2 .]" 1
53 1 7 CYS HA 1 7 CYS HB2 2.650 . 3.500 2.589 2.397 3.039 . 0 0 "[ . 1 . 2 .]" 1
54 1 7 CYS H 1 7 CYS HB3 2.650 . 3.500 2.644 2.253 3.529 0.029 15 0 "[ . 1 . 2 .]" 1
55 1 7 CYS H 1 7 CYS HB2 2.650 . 3.500 2.349 1.987 2.638 . 0 0 "[ . 1 . 2 .]" 1
56 1 7 CYS H 1 8 SER H 2.650 . 3.500 2.784 2.715 2.875 . 0 0 "[ . 1 . 2 .]" 1
57 1 7 CYS HB2 1 26 CYS HA 3.400 . 5.000 4.294 3.833 5.043 0.043 9 0 "[ . 1 . 2 .]" 1
58 1 7 CYS HA 1 8 SER H 3.400 . 5.000 3.592 3.582 3.600 . 0 0 "[ . 1 . 2 .]" 1
59 1 7 CYS HB3 1 8 SER H 2.650 . 3.500 2.333 2.120 3.464 . 0 0 "[ . 1 . 2 .]" 1
60 1 7 CYS HB2 1 8 SER H 3.400 . 5.000 3.438 2.343 3.768 . 0 0 "[ . 1 . 2 .]" 1
61 1 8 SER H 1 8 SER HA 2.650 . 3.500 2.847 2.835 2.871 . 0 0 "[ . 1 . 2 .]" 1
62 1 8 SER HA 1 8 SER HB3 2.300 . 2.800 2.414 2.284 2.555 . 0 0 "[ . 1 . 2 .]" 1
63 1 8 SER H 1 8 SER HB3 2.650 . 3.500 2.645 2.257 3.451 . 0 0 "[ . 1 . 2 .]" 1
64 1 8 SER HA 1 8 SER HB2 2.650 . 3.500 2.590 2.405 2.999 . 0 0 "[ . 1 . 2 .]" 1
65 1 8 SER H 1 8 SER HB2 2.650 . 3.500 3.432 2.838 3.524 0.024 9 0 "[ . 1 . 2 .]" 1
66 1 8 SER H 1 9 LEU H 2.650 . 3.500 2.808 2.734 2.884 . 0 0 "[ . 1 . 2 .]" 1
67 1 8 SER HB3 1 20 SER HA 3.400 . 5.000 4.515 3.630 4.990 . 0 0 "[ . 1 . 2 .]" 1
68 1 6 ASP HA 1 9 LEU HB3 2.650 . 3.500 3.489 3.262 3.522 0.022 22 0 "[ . 1 . 2 .]" 1
69 1 6 ASP HA 1 9 LEU HB2 2.650 . 3.500 2.544 2.276 2.776 . 0 0 "[ . 1 . 2 .]" 1
70 1 6 ASP HA 1 9 LEU MD1 3.650 . 5.500 2.905 2.479 3.470 . 0 0 "[ . 1 . 2 .]" 1
71 1 6 ASP HA 1 9 LEU H 3.400 . 5.000 3.724 3.501 3.893 . 0 0 "[ . 1 . 2 .]" 1
72 1 8 SER HA 1 9 LEU H 3.400 . 5.000 3.584 3.569 3.596 . 0 0 "[ . 1 . 2 .]" 1
73 1 8 SER HB2 1 9 LEU H 2.650 . 3.500 3.251 2.302 3.514 0.014 15 0 "[ . 1 . 2 .]" 1
74 1 9 LEU HA 1 9 LEU HB3 2.300 . 2.800 2.804 2.727 2.845 0.045 3 0 "[ . 1 . 2 .]" 1
75 1 9 LEU HA 1 9 LEU MD2 2.900 . 4.000 2.464 1.886 3.130 . 0 0 "[ . 1 . 2 .]" 1
76 1 9 LEU H 1 9 LEU HA 2.650 . 3.500 2.813 2.776 2.850 . 0 0 "[ . 1 . 2 .]" 1
77 1 9 LEU H 1 9 LEU HB3 2.650 . 3.500 3.337 3.253 3.410 . 0 0 "[ . 1 . 2 .]" 1
78 1 9 LEU H 1 9 LEU HB2 2.650 . 3.500 1.982 1.942 2.034 . 0 0 "[ . 1 . 2 .]" 1
79 1 9 LEU H 1 9 LEU MD2 3.650 . 5.500 4.166 3.946 4.317 . 0 0 "[ . 1 . 2 .]" 1
80 1 9 LEU H 1 9 LEU HG 2.650 . 3.500 3.237 2.937 3.456 . 0 0 "[ . 1 . 2 .]" 1
81 1 9 LEU H 1 12 ILE MD 4.150 . 6.500 3.890 3.504 4.494 . 0 0 "[ . 1 . 2 .]" 1
82 1 7 CYS HA 1 10 ASP HB3 2.650 . 3.500 3.475 3.180 3.520 0.020 19 0 "[ . 1 . 2 .]" 1
83 1 7 CYS HA 1 10 ASP HB2 2.650 . 3.500 3.472 3.308 3.517 0.017 14 0 "[ . 1 . 2 .]" 1
84 1 7 CYS HA 1 10 ASP H 3.400 . 5.000 3.791 3.598 4.034 . 0 0 "[ . 1 . 2 .]" 1
85 1 9 LEU HA 1 10 ASP H 3.400 . 5.000 3.582 3.557 3.591 . 0 0 "[ . 1 . 2 .]" 1
86 1 9 LEU HB3 1 10 ASP H 3.400 . 5.000 2.751 2.443 3.001 . 0 0 "[ . 1 . 2 .]" 1
87 1 9 LEU HB2 1 10 ASP H 2.650 . 3.500 2.817 2.635 3.015 . 0 0 "[ . 1 . 2 .]" 1
88 1 9 LEU MD2 1 10 ASP H 4.150 . 6.500 4.267 3.979 4.562 . 0 0 "[ . 1 . 2 .]" 1
89 1 9 LEU H 1 10 ASP H 2.650 . 3.500 2.907 2.787 3.026 . 0 0 "[ . 1 . 2 .]" 1
90 1 10 ASP HA 1 10 ASP HB2 2.300 . 2.800 2.736 2.685 2.779 . 0 0 "[ . 1 . 2 .]" 1
91 1 10 ASP H 1 10 ASP HA 2.650 . 3.500 2.882 2.838 2.927 . 0 0 "[ . 1 . 2 .]" 1
92 1 10 ASP H 1 10 ASP HB3 2.650 . 3.500 2.939 2.819 3.041 . 0 0 "[ . 1 . 2 .]" 1
93 1 10 ASP H 1 10 ASP HB2 2.650 . 3.500 2.034 1.974 2.151 . 0 0 "[ . 1 . 2 .]" 1
94 1 8 SER HA 1 11 CYS HB3 2.650 . 3.500 3.515 3.466 3.539 0.039 9 0 "[ . 1 . 2 .]" 1
95 1 8 SER HA 1 11 CYS HB2 2.650 . 3.500 2.144 2.063 2.239 . 0 0 "[ . 1 . 2 .]" 1
96 1 8 SER HA 1 11 CYS H 3.400 . 5.000 3.419 3.179 3.716 . 0 0 "[ . 1 . 2 .]" 1
97 1 10 ASP HA 1 11 CYS H 3.400 . 5.000 3.560 3.513 3.581 . 0 0 "[ . 1 . 2 .]" 1
98 1 10 ASP HB3 1 11 CYS H 3.400 . 5.000 2.629 2.294 3.001 . 0 0 "[ . 1 . 2 .]" 1
99 1 10 ASP H 1 11 CYS H 2.650 . 3.500 2.634 2.457 2.784 . 0 0 "[ . 1 . 2 .]" 1
100 1 11 CYS HA 1 11 CYS HB3 2.650 . 3.500 2.642 2.568 2.707 . 0 0 "[ . 1 . 2 .]" 1
101 1 11 CYS HA 1 11 CYS HB2 2.650 . 3.500 3.005 2.980 3.029 . 0 0 "[ . 1 . 2 .]" 1
102 1 11 CYS H 1 11 CYS HA 2.650 . 3.500 2.837 2.776 2.904 . 0 0 "[ . 1 . 2 .]" 1
103 1 11 CYS H 1 11 CYS HB3 3.400 . 5.000 3.477 3.433 3.518 . 0 0 "[ . 1 . 2 .]" 1
104 1 11 CYS H 1 11 CYS HB2 2.650 . 3.500 2.159 2.064 2.297 . 0 0 "[ . 1 . 2 .]" 1
105 1 11 CYS HB3 1 18 THR HA 2.650 . 3.500 3.426 3.098 3.519 0.019 15 0 "[ . 1 . 2 .]" 1
106 1 11 CYS HB2 1 19 GLY HA3 3.400 . 5.000 3.346 2.811 3.767 . 0 0 "[ . 1 . 2 .]" 1
107 1 11 CYS HB3 1 28 CYS HA 3.400 . 5.000 3.030 2.555 3.426 . 0 0 "[ . 1 . 2 .]" 1
108 1 11 CYS HB2 1 28 CYS HA 3.400 . 5.000 4.153 3.650 4.570 . 0 0 "[ . 1 . 2 .]" 1
109 1 11 CYS HB3 1 28 CYS HB3 2.650 . 3.500 2.465 2.239 2.744 . 0 0 "[ . 1 . 2 .]" 1
110 1 11 CYS HB3 1 28 CYS HB2 3.400 . 5.000 4.096 3.925 4.320 . 0 0 "[ . 1 . 2 .]" 1
111 1 9 LEU HA 1 12 ILE MD 2.900 . 4.000 2.673 1.998 3.156 . 0 0 "[ . 1 . 2 .]" 1
112 1 9 LEU HA 1 12 ILE MG 3.650 . 5.500 4.310 3.949 4.554 . 0 0 "[ . 1 . 2 .]" 1
113 1 9 LEU HA 1 12 ILE H 3.400 . 5.000 3.844 3.657 4.068 . 0 0 "[ . 1 . 2 .]" 1
114 1 12 ILE HA 1 12 ILE HB 2.650 . 3.500 3.031 3.021 3.038 . 0 0 "[ . 1 . 2 .]" 1
115 1 12 ILE HA 1 12 ILE MD 3.650 . 5.500 3.796 3.543 3.874 . 0 0 "[ . 1 . 2 .]" 1
116 1 12 ILE HA 1 12 ILE HG13 2.650 . 3.500 2.596 2.190 2.911 . 0 0 "[ . 1 . 2 .]" 1
117 1 12 ILE HA 1 12 ILE HG12 2.650 . 3.500 2.771 2.482 3.157 . 0 0 "[ . 1 . 2 .]" 1
118 1 12 ILE HA 1 12 ILE MG 2.900 . 4.000 2.444 2.316 2.532 . 0 0 "[ . 1 . 2 .]" 1
119 1 12 ILE H 1 12 ILE HA 2.650 . 3.500 2.886 2.812 2.953 . 0 0 "[ . 1 . 2 .]" 1
120 1 12 ILE H 1 12 ILE HB 2.650 . 3.500 2.297 2.198 2.432 . 0 0 "[ . 1 . 2 .]" 1
121 1 12 ILE H 1 12 ILE MD 3.650 . 5.500 3.006 2.141 3.426 . 0 0 "[ . 1 . 2 .]" 1
122 1 12 ILE H 1 12 ILE HG13 2.650 . 3.500 2.338 1.917 2.813 . 0 0 "[ . 1 . 2 .]" 1
123 1 12 ILE H 1 12 ILE HG12 3.400 . 5.000 3.717 3.400 3.977 . 0 0 "[ . 1 . 2 .]" 1
124 1 12 ILE H 1 12 ILE MG 3.650 . 5.500 3.684 3.654 3.708 . 0 0 "[ . 1 . 2 .]" 1
125 1 12 ILE H 1 13 MET H 2.650 . 3.500 2.560 2.329 2.754 . 0 0 "[ . 1 . 2 .]" 1
126 1 12 ILE MD 1 17 ASN HA 4.150 . 6.500 4.879 4.345 5.255 . 0 0 "[ . 1 . 2 .]" 1
127 1 12 ILE HG13 1 17 ASN HA 3.400 . 5.000 4.371 3.471 4.991 . 0 0 "[ . 1 . 2 .]" 1
128 1 12 ILE HG12 1 17 ASN HA 3.400 . 5.000 3.519 2.988 4.222 . 0 0 "[ . 1 . 2 .]" 1
129 1 12 ILE MD 1 18 THR HA 3.650 . 5.500 3.043 2.377 3.774 . 0 0 "[ . 1 . 2 .]" 1
130 1 12 ILE HG12 1 18 THR HA 3.400 . 5.000 3.346 2.755 4.071 . 0 0 "[ . 1 . 2 .]" 1
131 1 10 ASP HA 1 13 MET HB3 2.650 . 3.500 3.469 3.178 3.517 0.017 2 0 "[ . 1 . 2 .]" 1
132 1 10 ASP HA 1 13 MET HG3 3.400 . 5.000 4.012 2.659 4.953 . 0 0 "[ . 1 . 2 .]" 1
133 1 10 ASP HA 1 13 MET H 3.400 . 5.000 3.327 3.056 3.672 . 0 0 "[ . 1 . 2 .]" 1
134 1 12 ILE HA 1 13 MET H 2.650 . 3.500 3.516 3.476 3.556 0.056 9 0 "[ . 1 . 2 .]" 1
135 1 12 ILE HB 1 13 MET H 2.650 . 3.500 2.800 2.576 2.992 . 0 0 "[ . 1 . 2 .]" 1
136 1 12 ILE MD 1 13 MET H 4.150 . 6.500 4.376 4.090 4.737 . 0 0 "[ . 1 . 2 .]" 1
137 1 12 ILE HG13 1 13 MET H 3.400 . 5.000 4.422 4.211 4.700 . 0 0 "[ . 1 . 2 .]" 1
138 1 12 ILE MG 1 13 MET H 3.650 . 5.500 3.503 3.302 3.824 . 0 0 "[ . 1 . 2 .]" 1
139 1 13 MET HA 1 13 MET HB3 2.300 . 2.800 2.771 2.567 2.877 0.077 10 0 "[ . 1 . 2 .]" 1
140 1 13 MET HA 1 13 MET HB2 2.650 . 3.500 2.905 2.386 3.007 . 0 0 "[ . 1 . 2 .]" 1
141 1 13 MET HA 1 13 MET HG3 2.650 . 3.500 2.829 1.993 3.517 0.017 9 0 "[ . 1 . 2 .]" 1
142 1 13 MET H 1 13 MET HA 2.650 . 3.500 2.903 2.858 2.937 . 0 0 "[ . 1 . 2 .]" 1
143 1 13 MET H 1 13 MET HB3 3.400 . 5.000 3.264 2.317 3.466 . 0 0 "[ . 1 . 2 .]" 1
144 1 13 MET H 1 13 MET HB2 2.650 . 3.500 2.046 1.941 3.530 0.030 9 0 "[ . 1 . 2 .]" 1
145 1 13 MET H 1 13 MET HG3 3.400 . 5.000 3.444 2.443 4.069 . 0 0 "[ . 1 . 2 .]" 1
146 1 13 MET H 1 13 MET HG2 3.400 . 5.000 3.880 2.960 4.414 . 0 0 "[ . 1 . 2 .]" 1
147 1 13 MET H 1 14 LYS H 2.650 . 3.500 2.589 2.445 2.850 . 0 0 "[ . 1 . 2 .]" 1
148 1 11 CYS HA 1 14 LYS HB2 2.650 . 3.500 3.043 2.460 3.508 0.008 15 0 "[ . 1 . 2 .]" 1
149 1 11 CYS HA 1 14 LYS HD3 3.400 . 5.000 3.254 1.969 5.005 0.005 6 0 "[ . 1 . 2 .]" 1
150 1 11 CYS HA 1 14 LYS HD2 3.400 . 5.000 2.715 1.944 4.991 . 0 0 "[ . 1 . 2 .]" 1
151 1 13 MET HA 1 14 LYS H 3.400 . 5.000 3.564 3.490 3.593 . 0 0 "[ . 1 . 2 .]" 1
152 1 13 MET HB3 1 14 LYS H 3.400 . 5.000 3.034 2.642 3.936 . 0 0 "[ . 1 . 2 .]" 1
153 1 13 MET HG3 1 14 LYS H 3.900 . 6.000 4.792 1.968 5.210 . 0 0 "[ . 1 . 2 .]" 1
154 1 13 MET HG2 1 14 LYS H 3.900 . 6.000 4.845 3.648 5.228 . 0 0 "[ . 1 . 2 .]" 1
155 1 14 LYS HA 1 14 LYS HB3 2.300 . 2.800 2.564 2.489 2.721 . 0 0 "[ . 1 . 2 .]" 1
156 1 14 LYS HA 1 14 LYS HD3 3.400 . 5.000 4.349 2.429 4.525 . 0 0 "[ . 1 . 2 .]" 1
157 1 14 LYS HA 1 14 LYS HG3 2.300 . 2.800 2.785 2.643 2.835 0.035 22 0 "[ . 1 . 2 .]" 1
158 1 14 LYS HA 1 14 LYS HG2 2.650 . 3.500 2.546 2.340 3.549 0.049 17 0 "[ . 1 . 2 .]" 1
159 1 14 LYS H 1 14 LYS HA 2.650 . 3.500 2.814 2.768 2.886 . 0 0 "[ . 1 . 2 .]" 1
160 1 14 LYS HB3 1 14 LYS HD3 2.650 . 3.500 2.730 2.460 3.565 0.065 17 0 "[ . 1 . 2 .]" 1
161 1 14 LYS HB3 1 14 LYS HG3 2.650 . 3.500 2.998 2.345 3.032 . 0 0 "[ . 1 . 2 .]" 1
162 1 14 LYS HB3 1 14 LYS HG2 2.300 . 2.800 2.423 2.343 2.600 . 0 0 "[ . 1 . 2 .]" 1
163 1 14 LYS H 1 14 LYS HB3 2.650 . 3.500 3.513 3.426 3.532 0.032 7 0 "[ . 1 . 2 .]" 1
164 1 14 LYS HB2 1 14 LYS HG2 2.650 . 3.500 3.001 2.338 3.036 . 0 0 "[ . 1 . 2 .]" 1
165 1 14 LYS H 1 14 LYS HB2 2.650 . 3.500 2.307 2.063 2.453 . 0 0 "[ . 1 . 2 .]" 1
166 1 14 LYS H 1 14 LYS HD3 3.400 . 5.000 4.087 1.865 4.847 . 0 0 "[ . 1 . 2 .]" 1
167 1 14 LYS H 1 14 LYS HG3 3.400 . 5.000 2.210 1.874 4.039 . 0 0 "[ . 1 . 2 .]" 1
168 1 14 LYS H 1 14 LYS HG2 2.650 . 3.500 3.497 3.389 3.585 0.085 17 0 "[ . 1 . 2 .]" 1
169 1 12 ILE HA 1 15 GLY H 3.400 . 5.000 3.816 3.502 4.059 . 0 0 "[ . 1 . 2 .]" 1
170 1 12 ILE MG 1 15 GLY H 4.150 . 6.500 4.702 4.273 5.246 . 0 0 "[ . 1 . 2 .]" 1
171 1 13 MET HA 1 15 GLY H 3.400 . 5.000 4.141 3.586 5.015 0.015 11 0 "[ . 1 . 2 .]" 1
172 1 14 LYS HA 1 15 GLY H 3.400 . 5.000 3.538 3.457 3.588 . 0 0 "[ . 1 . 2 .]" 1
173 1 14 LYS HB3 1 15 GLY H 3.400 . 5.000 3.569 2.834 3.970 . 0 0 "[ . 1 . 2 .]" 1
174 1 14 LYS HB2 1 15 GLY H 3.400 . 5.000 2.706 2.076 3.069 . 0 0 "[ . 1 . 2 .]" 1
175 1 14 LYS H 1 15 GLY H 2.650 . 3.500 2.826 2.571 3.198 . 0 0 "[ . 1 . 2 .]" 1
176 1 15 GLY H 1 15 GLY HA3 2.300 . 2.800 2.955 2.904 2.969 0.169 10 0 "[ . 1 . 2 .]" 1
177 1 11 CYS HA 1 16 TYR HB3 3.900 . 6.000 5.313 4.997 5.971 . 0 0 "[ . 1 . 2 .]" 1
178 1 11 CYS HA 1 16 TYR HB2 3.400 . 5.000 3.854 3.505 4.376 . 0 0 "[ . 1 . 2 .]" 1
179 1 11 CYS HA 1 16 TYR QD 3.650 . 5.500 2.961 2.397 4.320 . 0 0 "[ . 1 . 2 .]" 1
180 1 14 LYS HB3 1 16 TYR QD 3.650 . 5.500 3.201 2.182 3.843 . 0 0 "[ . 1 . 2 .]" 1
181 1 14 LYS HB3 1 16 TYR QE 3.650 . 5.500 2.375 1.868 3.096 . 0 0 "[ . 1 . 2 .]" 1
182 1 14 LYS HB2 1 16 TYR QD 3.650 . 5.500 2.314 1.839 2.842 . 0 0 "[ . 1 . 2 .]" 1
183 1 14 LYS HB2 1 16 TYR QE 4.150 . 6.500 2.943 2.497 3.346 . 0 0 "[ . 1 . 2 .]" 1
184 1 14 LYS HB2 1 16 TYR H 3.400 . 5.000 3.118 2.872 3.563 . 0 0 "[ . 1 . 2 .]" 1
185 1 14 LYS HG3 1 16 TYR QD 4.150 . 6.500 4.490 4.173 4.811 . 0 0 "[ . 1 . 2 .]" 1
186 1 14 LYS HG3 1 16 TYR QE 4.150 . 6.500 4.464 3.338 4.826 . 0 0 "[ . 1 . 2 .]" 1
187 1 15 GLY HA3 1 16 TYR H 3.400 . 5.000 3.340 3.183 3.545 . 0 0 "[ . 1 . 2 .]" 1
188 1 15 GLY HA2 1 16 TYR H 3.400 . 5.000 3.233 2.906 3.402 . 0 0 "[ . 1 . 2 .]" 1
189 1 15 GLY H 1 16 TYR H 2.650 . 3.500 1.868 1.823 2.107 . 0 0 "[ . 1 . 2 .]" 1
190 1 16 TYR HA 1 16 TYR HB3 2.650 . 3.500 2.462 2.396 2.548 . 0 0 "[ . 1 . 2 .]" 1
191 1 16 TYR HA 1 16 TYR QD 3.650 . 5.500 2.410 1.894 3.129 . 0 0 "[ . 1 . 2 .]" 1
192 1 16 TYR H 1 16 TYR HA 2.650 . 3.500 2.957 2.947 2.991 . 0 0 "[ . 1 . 2 .]" 1
193 1 16 TYR H 1 16 TYR HB3 2.650 . 3.500 3.568 3.552 3.633 0.133 7 0 "[ . 1 . 2 .]" 1
194 1 16 TYR H 1 16 TYR HB2 3.400 . 5.000 2.403 2.294 2.535 . 0 0 "[ . 1 . 2 .]" 1
195 1 16 TYR H 1 16 TYR QD 2.900 . 4.000 2.691 1.858 3.187 . 0 0 "[ . 1 . 2 .]" 1
196 1 16 TYR HB2 1 28 CYS HA 3.400 . 5.000 4.671 4.216 5.009 0.009 23 0 "[ . 1 . 2 .]" 1
197 1 16 TYR HB3 1 28 CYS HB3 2.650 . 3.500 3.076 2.669 3.504 0.004 20 0 "[ . 1 . 2 .]" 1
198 1 16 TYR HB2 1 28 CYS HB3 2.650 . 3.500 2.601 2.216 3.076 . 0 0 "[ . 1 . 2 .]" 1
199 1 16 TYR QD 1 28 CYS HB3 4.150 . 6.500 2.536 1.875 3.705 . 0 0 "[ . 1 . 2 .]" 1
200 1 16 TYR HB3 1 28 CYS HB2 3.400 . 5.000 3.890 3.397 4.658 . 0 0 "[ . 1 . 2 .]" 1
201 1 16 TYR HB2 1 28 CYS HB2 3.400 . 5.000 3.819 3.204 4.596 . 0 0 "[ . 1 . 2 .]" 1
202 1 16 TYR QD 1 28 CYS HB2 4.150 . 6.500 2.831 2.076 3.690 . 0 0 "[ . 1 . 2 .]" 1
203 1 16 TYR QE 1 28 CYS HB2 4.150 . 6.500 3.386 2.923 4.020 . 0 0 "[ . 1 . 2 .]" 1
204 1 16 TYR QD 1 29 ARG HA 4.150 . 6.500 4.439 3.127 5.482 . 0 0 "[ . 1 . 2 .]" 1
205 1 16 TYR HB2 1 30 ARG HA 3.400 . 5.000 4.595 4.058 4.936 . 0 0 "[ . 1 . 2 .]" 1
206 1 16 TYR QD 1 30 ARG HA 4.150 . 6.500 4.031 3.416 4.595 . 0 0 "[ . 1 . 2 .]" 1
207 1 16 TYR QD 1 30 ARG HB3 4.150 . 6.500 4.486 3.794 4.812 . 0 0 "[ . 1 . 2 .]" 1
208 1 16 TYR QD 1 30 ARG HG3 3.650 . 5.500 2.339 1.874 3.631 . 0 0 "[ . 1 . 2 .]" 1
209 1 16 TYR QE 1 30 ARG HG3 4.150 . 6.500 3.996 3.321 4.682 . 0 0 "[ . 1 . 2 .]" 1
210 1 16 TYR QD 1 30 ARG HG2 3.650 . 5.500 2.512 1.867 3.671 . 0 0 "[ . 1 . 2 .]" 1
211 1 16 TYR QE 1 30 ARG HG2 4.150 . 6.500 4.433 3.327 5.698 . 0 0 "[ . 1 . 2 .]" 1
212 1 16 TYR HA 1 17 ASN H 2.650 . 3.500 2.998 2.886 3.386 . 0 0 "[ . 1 . 2 .]" 1
213 1 16 TYR HB3 1 17 ASN H 3.400 . 5.000 1.910 1.819 2.040 . 0 0 "[ . 1 . 2 .]" 1
214 1 16 TYR HB2 1 17 ASN H 2.650 . 3.500 2.574 2.120 2.881 . 0 0 "[ . 1 . 2 .]" 1
215 1 17 ASN HA 1 17 ASN HB2 2.300 . 2.800 2.476 2.374 2.684 . 0 0 "[ . 1 . 2 .]" 1
216 1 17 ASN H 1 17 ASN HB3 2.650 . 3.500 2.577 2.388 3.091 . 0 0 "[ . 1 . 2 .]" 1
217 1 17 ASN H 1 17 ASN HB2 3.400 . 5.000 3.033 2.677 3.257 . 0 0 "[ . 1 . 2 .]" 1
218 1 17 ASN HB3 1 18 THR MG 3.650 . 5.500 2.707 2.184 3.105 . 0 0 "[ . 1 . 2 .]" 1
219 1 17 ASN HB2 1 18 THR MG 3.650 . 5.500 4.154 3.786 4.388 . 0 0 "[ . 1 . 2 .]" 1
220 1 17 ASN H 1 18 THR H 2.650 . 3.500 1.915 1.844 2.007 . 0 0 "[ . 1 . 2 .]" 1
221 1 17 ASN HB3 1 30 ARG HA 2.650 . 3.500 2.587 2.175 2.895 . 0 0 "[ . 1 . 2 .]" 1
222 1 17 ASN HB2 1 30 ARG HA 3.400 . 5.000 2.607 1.880 3.201 . 0 0 "[ . 1 . 2 .]" 1
223 1 17 ASN H 1 30 ARG HA 2.650 . 3.500 2.564 2.264 3.162 . 0 0 "[ . 1 . 2 .]" 1
224 1 17 ASN HB3 1 30 ARG HB3 3.400 . 5.000 4.826 4.361 5.007 0.007 9 0 "[ . 1 . 2 .]" 1
225 1 17 ASN HB2 1 30 ARG HB3 3.400 . 5.000 4.310 3.632 4.914 . 0 0 "[ . 1 . 2 .]" 1
226 1 17 ASN H 1 30 ARG HB3 3.900 . 6.000 4.940 4.261 5.741 . 0 0 "[ . 1 . 2 .]" 1
227 1 17 ASN H 1 30 ARG HG2 3.400 . 5.000 3.760 2.484 4.923 . 0 0 "[ . 1 . 2 .]" 1
228 1 17 ASN HB3 1 31 THR MG 3.650 . 5.500 3.468 2.176 4.371 . 0 0 "[ . 1 . 2 .]" 1
229 1 17 ASN HB2 1 31 THR MG 3.650 . 5.500 2.996 1.771 4.115 0.029 4 0 "[ . 1 . 2 .]" 1
230 1 16 TYR HB3 1 18 THR H 3.400 . 5.000 3.139 2.810 3.369 . 0 0 "[ . 1 . 2 .]" 1
231 1 16 TYR HB2 1 18 THR H 2.650 . 3.500 3.430 3.098 3.534 0.034 6 0 "[ . 1 . 2 .]" 1
232 1 17 ASN HA 1 18 THR H 3.400 . 5.000 3.540 3.495 3.563 . 0 0 "[ . 1 . 2 .]" 1
233 1 17 ASN HB3 1 18 THR H 3.400 . 5.000 2.729 2.562 2.944 . 0 0 "[ . 1 . 2 .]" 1
234 1 17 ASN HB2 1 18 THR H 3.400 . 5.000 3.926 3.619 4.118 . 0 0 "[ . 1 . 2 .]" 1
235 1 18 THR H 1 18 THR HA 2.650 . 3.500 2.904 2.883 2.955 . 0 0 "[ . 1 . 2 .]" 1
236 1 18 THR H 1 18 THR HB 3.400 . 5.000 3.450 3.351 3.579 . 0 0 "[ . 1 . 2 .]" 1
237 1 18 THR H 1 18 THR MG 3.650 . 5.500 2.371 1.952 2.583 . 0 0 "[ . 1 . 2 .]" 1
238 1 18 THR H 1 28 CYS HB3 3.900 . 6.000 4.115 3.803 4.478 . 0 0 "[ . 1 . 2 .]" 1
239 1 18 THR H 1 29 ARG HB3 3.900 . 6.000 4.882 4.010 5.781 . 0 0 "[ . 1 . 2 .]" 1
240 1 18 THR H 1 29 ARG HB2 3.400 . 5.000 3.879 3.227 4.565 . 0 0 "[ . 1 . 2 .]" 1
241 1 18 THR H 1 29 ARG QG 4.050 . 6.300 5.168 4.766 5.660 . 0 0 "[ . 1 . 2 .]" 1
242 1 18 THR H 1 30 ARG HA 3.400 . 5.000 3.879 3.308 4.261 . 0 0 "[ . 1 . 2 .]" 1
243 1 8 SER HA 1 19 GLY H 2.650 . 3.500 2.739 2.341 3.034 . 0 0 "[ . 1 . 2 .]" 1
244 1 8 SER HB3 1 19 GLY H 3.400 . 5.000 3.255 2.662 3.755 . 0 0 "[ . 1 . 2 .]" 1
245 1 8 SER HB2 1 19 GLY H 3.400 . 5.000 3.819 3.236 4.711 . 0 0 "[ . 1 . 2 .]" 1
246 1 18 THR HA 1 19 GLY H 2.650 . 3.500 2.503 2.311 2.816 . 0 0 "[ . 1 . 2 .]" 1
247 1 18 THR MG 1 19 GLY H 3.650 . 5.500 3.409 2.882 3.835 . 0 0 "[ . 1 . 2 .]" 1
248 1 7 CYS HB3 1 20 SER H 3.400 . 5.000 4.559 3.655 5.018 0.018 17 0 "[ . 1 . 2 .]" 1
249 1 19 GLY HA3 1 20 SER H 2.650 . 3.500 2.550 2.457 2.677 . 0 0 "[ . 1 . 2 .]" 1
250 1 19 GLY HA2 1 20 SER H 2.650 . 3.500 2.671 2.534 2.781 . 0 0 "[ . 1 . 2 .]" 1
251 1 20 SER HA 1 20 SER HB3 2.300 . 2.800 2.586 2.278 2.796 . 0 0 "[ . 1 . 2 .]" 1
252 1 20 SER HA 1 20 SER HB2 2.650 . 3.500 2.976 2.681 3.034 . 0 0 "[ . 1 . 2 .]" 1
253 1 20 SER H 1 20 SER HA 2.650 . 3.500 2.936 2.920 2.979 . 0 0 "[ . 1 . 2 .]" 1
254 1 20 SER H 1 20 SER HB3 3.400 . 5.000 3.818 3.639 3.997 . 0 0 "[ . 1 . 2 .]" 1
255 1 20 SER H 1 20 SER HB2 3.400 . 5.000 2.899 2.670 3.784 . 0 0 "[ . 1 . 2 .]" 1
256 1 20 SER HB3 1 22 VAL MG2 3.650 . 5.500 3.977 3.322 4.516 . 0 0 "[ . 1 . 2 .]" 1
257 1 20 SER HB2 1 22 VAL MG2 3.650 . 5.500 3.602 3.039 4.210 . 0 0 "[ . 1 . 2 .]" 1
258 1 20 SER H 1 27 GLN HB2 3.400 . 5.000 3.759 3.208 4.228 . 0 0 "[ . 1 . 2 .]" 1
259 1 20 SER H 1 28 CYS HA 3.400 . 5.000 3.853 3.487 4.075 . 0 0 "[ . 1 . 2 .]" 1
260 1 4 ASP HA 1 21 CYS H 3.400 . 5.000 3.539 2.342 4.550 . 0 0 "[ . 1 . 2 .]" 1
261 1 4 ASP HB3 1 21 CYS H 3.900 . 6.000 4.773 2.778 5.908 . 0 0 "[ . 1 . 2 .]" 1
262 1 20 SER HA 1 21 CYS H 2.650 . 3.500 2.580 2.403 2.772 . 0 0 "[ . 1 . 2 .]" 1
263 1 20 SER HB3 1 21 CYS H 2.650 . 3.500 2.425 2.019 3.486 . 0 0 "[ . 1 . 2 .]" 1
264 1 20 SER HB2 1 21 CYS H 3.400 . 5.000 3.530 2.347 3.945 . 0 0 "[ . 1 . 2 .]" 1
265 1 21 CYS HA 1 21 CYS HB3 2.650 . 3.500 2.882 2.494 3.037 . 0 0 "[ . 1 . 2 .]" 1
266 1 21 CYS HA 1 21 CYS HB2 2.650 . 3.500 2.714 2.420 3.038 . 0 0 "[ . 1 . 2 .]" 1
267 1 21 CYS H 1 21 CYS HB3 3.400 . 5.000 2.874 2.280 3.568 . 0 0 "[ . 1 . 2 .]" 1
268 1 21 CYS H 1 21 CYS HB2 2.650 . 3.500 2.339 2.006 2.713 . 0 0 "[ . 1 . 2 .]" 1
269 1 21 CYS HA 1 22 VAL H 2.650 . 3.500 2.240 2.209 2.346 . 0 0 "[ . 1 . 2 .]" 1
270 1 21 CYS HB3 1 22 VAL H 3.400 . 5.000 3.812 2.849 4.357 . 0 0 "[ . 1 . 2 .]" 1
271 1 21 CYS HB2 1 22 VAL H 3.400 . 5.000 4.352 3.913 4.552 . 0 0 "[ . 1 . 2 .]" 1
272 1 22 VAL HA 1 22 VAL HB 2.650 . 3.500 3.033 3.025 3.038 . 0 0 "[ . 1 . 2 .]" 1
273 1 22 VAL HA 1 22 VAL MG1 2.900 . 4.000 2.363 2.138 2.510 . 0 0 "[ . 1 . 2 .]" 1
274 1 22 VAL HA 1 22 VAL MG2 2.900 . 4.000 2.291 2.114 2.494 . 0 0 "[ . 1 . 2 .]" 1
275 1 22 VAL H 1 22 VAL HA 2.650 . 3.500 2.997 2.977 3.005 . 0 0 "[ . 1 . 2 .]" 1
276 1 22 VAL H 1 22 VAL HB 2.650 . 3.500 2.582 2.420 2.788 . 0 0 "[ . 1 . 2 .]" 1
277 1 22 VAL H 1 22 VAL MG1 4.150 . 6.500 3.825 3.723 3.929 . 0 0 "[ . 1 . 2 .]" 1
278 1 22 VAL H 1 22 VAL MG2 3.650 . 5.500 2.826 2.325 3.134 . 0 0 "[ . 1 . 2 .]" 1
279 1 22 VAL H 1 23 ARG H 3.400 . 5.000 4.263 4.034 4.498 . 0 0 "[ . 1 . 2 .]" 1
280 1 22 VAL H 1 25 SER HB3 3.900 . 6.000 3.902 2.868 5.336 . 0 0 "[ . 1 . 2 .]" 1
281 1 22 VAL HB 1 25 SER HB2 3.400 . 5.000 3.718 2.064 4.852 . 0 0 "[ . 1 . 2 .]" 1
282 1 22 VAL H 1 25 SER HB2 3.900 . 6.000 3.889 2.758 4.676 . 0 0 "[ . 1 . 2 .]" 1
283 1 22 VAL H 1 25 SER H 3.400 . 5.000 2.532 1.956 3.192 . 0 0 "[ . 1 . 2 .]" 1
284 1 22 VAL H 1 26 CYS HA 3.400 . 5.000 3.034 2.583 3.619 . 0 0 "[ . 1 . 2 .]" 1
285 1 22 VAL H 1 27 GLN HB2 3.900 . 6.000 4.923 4.473 5.746 . 0 0 "[ . 1 . 2 .]" 1
286 1 22 VAL HA 1 23 ARG H 2.300 . 2.800 2.224 2.202 2.278 . 0 0 "[ . 1 . 2 .]" 1
287 1 22 VAL MG1 1 23 ARG HE 4.150 . 6.500 4.176 2.179 5.300 . 0 0 "[ . 1 . 2 .]" 1
288 1 22 VAL MG1 1 23 ARG H 3.650 . 5.500 2.775 2.126 3.217 . 0 0 "[ . 1 . 2 .]" 1
289 1 22 VAL MG2 1 23 ARG H 4.150 . 6.500 4.100 3.931 4.310 . 0 0 "[ . 1 . 2 .]" 1
290 1 23 ARG HA 1 23 ARG HB3 2.300 . 2.800 2.685 2.433 2.820 0.020 9 0 "[ . 1 . 2 .]" 1
291 1 23 ARG HA 1 23 ARG HB2 2.650 . 3.500 2.970 2.895 3.037 . 0 0 "[ . 1 . 2 .]" 1
292 1 23 ARG HA 1 23 ARG HG3 2.650 . 3.500 2.718 1.936 3.524 0.024 22 0 "[ . 1 . 2 .]" 1
293 1 23 ARG HA 1 23 ARG HG2 2.650 . 3.500 2.569 1.945 3.524 0.024 16 0 "[ . 1 . 2 .]" 1
294 1 23 ARG H 1 23 ARG HA 2.650 . 3.500 2.369 2.362 2.379 . 0 0 "[ . 1 . 2 .]" 1
295 1 23 ARG H 1 23 ARG HB3 3.400 . 5.000 4.013 3.921 4.068 . 0 0 "[ . 1 . 2 .]" 1
296 1 23 ARG H 1 23 ARG HB2 3.400 . 5.000 3.148 2.920 3.465 . 0 0 "[ . 1 . 2 .]" 1
297 1 23 ARG HB3 1 23 ARG HD3 3.400 . 5.000 3.124 2.276 3.978 . 0 0 "[ . 1 . 2 .]" 1
298 1 23 ARG HB2 1 23 ARG HD3 3.400 . 5.000 3.155 2.042 4.160 . 0 0 "[ . 1 . 2 .]" 1
299 1 23 ARG H 1 23 ARG HG3 3.400 . 5.000 3.230 2.185 4.147 . 0 0 "[ . 1 . 2 .]" 1
300 1 23 ARG H 1 23 ARG HG2 3.400 . 5.000 3.818 2.782 4.785 . 0 0 "[ . 1 . 2 .]" 1
301 1 23 ARG H 1 24 GLY H 3.400 . 5.000 3.144 2.817 4.091 . 0 0 "[ . 1 . 2 .]" 1
302 1 22 VAL HA 1 24 GLY H 3.400 . 5.000 4.120 3.687 5.012 0.012 10 0 "[ . 1 . 2 .]" 1
303 1 23 ARG HA 1 24 GLY H 2.650 . 3.500 3.022 2.654 3.557 0.057 17 0 "[ . 1 . 2 .]" 1
304 1 23 ARG HB3 1 24 GLY H 3.900 . 6.000 3.916 1.876 4.522 . 0 0 "[ . 1 . 2 .]" 1
305 1 23 ARG HB2 1 24 GLY H 3.900 . 6.000 3.865 1.869 4.461 . 0 0 "[ . 1 . 2 .]" 1
306 1 24 GLY H 1 24 GLY HA2 2.650 . 3.500 2.488 2.344 2.970 . 0 0 "[ . 1 . 2 .]" 1
307 1 24 GLY H 1 25 SER H 2.650 . 3.500 2.411 1.913 2.741 . 0 0 "[ . 1 . 2 .]" 1
308 1 2 CYS HB3 1 25 SER H 3.400 . 5.000 4.048 3.223 4.725 . 0 0 "[ . 1 . 2 .]" 1
309 1 22 VAL HB 1 25 SER H 3.400 . 5.000 3.875 3.453 4.302 . 0 0 "[ . 1 . 2 .]" 1
310 1 22 VAL MG1 1 25 SER H 4.150 . 6.500 4.380 3.960 4.804 . 0 0 "[ . 1 . 2 .]" 1
311 1 22 VAL MG2 1 25 SER H 4.150 . 6.500 4.700 4.125 5.011 . 0 0 "[ . 1 . 2 .]" 1
312 1 23 ARG HA 1 25 SER H 3.900 . 6.000 4.582 4.126 5.044 . 0 0 "[ . 1 . 2 .]" 1
313 1 24 GLY HA3 1 25 SER H 3.400 . 5.000 3.476 3.400 3.540 . 0 0 "[ . 1 . 2 .]" 1
314 1 24 GLY HA2 1 25 SER H 3.400 . 5.000 3.041 2.895 3.177 . 0 0 "[ . 1 . 2 .]" 1
315 1 25 SER H 1 25 SER HB3 3.400 . 5.000 3.339 2.700 3.896 . 0 0 "[ . 1 . 2 .]" 1
316 1 25 SER H 1 25 SER HB2 2.650 . 3.500 2.668 2.320 3.014 . 0 0 "[ . 1 . 2 .]" 1
317 1 2 CYS HB3 1 26 CYS H 3.900 . 6.000 5.541 4.742 6.048 0.048 8 0 "[ . 1 . 2 .]" 1
318 1 2 CYS HB2 1 26 CYS H 3.400 . 5.000 4.737 4.249 5.045 0.045 25 0 "[ . 1 . 2 .]" 1
319 1 7 CYS HA 1 26 CYS HB2 3.400 . 5.000 4.036 3.077 5.022 0.022 16 0 "[ . 1 . 2 .]" 1
320 1 25 SER HA 1 26 CYS H 2.650 . 3.500 2.869 2.764 3.017 . 0 0 "[ . 1 . 2 .]" 1
321 1 25 SER HB3 1 26 CYS H 3.400 . 5.000 2.154 1.940 2.679 . 0 0 "[ . 1 . 2 .]" 1
322 1 25 SER HB2 1 26 CYS H 3.400 . 5.000 3.240 2.218 3.619 . 0 0 "[ . 1 . 2 .]" 1
323 1 26 CYS HA 1 26 CYS HB3 2.650 . 3.500 2.971 2.704 3.038 . 0 0 "[ . 1 . 2 .]" 1
324 1 26 CYS HA 1 26 CYS HB2 2.650 . 3.500 2.537 2.356 2.971 . 0 0 "[ . 1 . 2 .]" 1
325 1 26 CYS H 1 26 CYS HB3 2.650 . 3.500 2.889 2.622 3.605 0.105 16 0 "[ . 1 . 2 .]" 1
326 1 26 CYS H 1 26 CYS HB2 2.650 . 3.500 3.168 2.543 3.488 . 0 0 "[ . 1 . 2 .]" 1
327 1 20 SER H 1 27 GLN H 3.400 . 5.000 2.821 2.420 3.320 . 0 0 "[ . 1 . 2 .]" 1
328 1 22 VAL MG1 1 27 GLN QG 4.300 . 6.800 3.469 2.511 4.342 . 0 0 "[ . 1 . 2 .]" 1
329 1 22 VAL MG2 1 27 GLN HB2 2.900 . 4.000 2.335 1.835 3.061 . 0 0 "[ . 1 . 2 .]" 1
330 1 22 VAL MG2 1 27 GLN QG 3.800 . 5.800 2.934 1.830 4.051 . 0 0 "[ . 1 . 2 .]" 1
331 1 22 VAL MG2 1 27 GLN H 4.150 . 6.500 2.886 2.393 3.583 . 0 0 "[ . 1 . 2 .]" 1
332 1 26 CYS HA 1 27 GLN H 2.650 . 3.500 2.223 2.204 2.293 . 0 0 "[ . 1 . 2 .]" 1
333 1 27 GLN HA 1 27 GLN HB3 2.300 . 2.800 2.673 2.489 2.813 0.013 12 0 "[ . 1 . 2 .]" 1
334 1 27 GLN HA 1 27 GLN HB2 2.650 . 3.500 2.984 2.906 3.036 . 0 0 "[ . 1 . 2 .]" 1
335 1 27 GLN HA 1 27 GLN QG 3.550 . 5.300 2.231 1.947 2.870 . 0 0 "[ . 1 . 2 .]" 1
336 1 27 GLN H 1 27 GLN HA 2.650 . 3.500 2.999 2.976 3.004 . 0 0 "[ . 1 . 2 .]" 1
337 1 27 GLN H 1 27 GLN HB3 3.400 . 5.000 3.504 3.259 3.700 . 0 0 "[ . 1 . 2 .]" 1
338 1 27 GLN H 1 27 GLN HB2 3.400 . 5.000 2.289 2.082 2.488 . 0 0 "[ . 1 . 2 .]" 1
339 1 27 GLN H 1 27 GLN QG 4.050 . 6.300 3.245 2.648 3.987 . 0 0 "[ . 1 . 2 .]" 1
340 1 19 GLY HA3 1 28 CYS HA 3.400 . 5.000 2.132 1.865 2.546 . 0 0 "[ . 1 . 2 .]" 1
341 1 19 GLY HA2 1 28 CYS HA 3.400 . 5.000 2.454 2.012 2.802 . 0 0 "[ . 1 . 2 .]" 1
342 1 27 GLN HA 1 28 CYS H 2.300 . 2.800 2.382 2.245 2.571 . 0 0 "[ . 1 . 2 .]" 1
343 1 27 GLN HB3 1 28 CYS H 3.900 . 6.000 2.857 2.343 3.295 . 0 0 "[ . 1 . 2 .]" 1
344 1 27 GLN HB2 1 28 CYS H 3.400 . 5.000 4.070 3.760 4.348 . 0 0 "[ . 1 . 2 .]" 1
345 1 27 GLN QG 1 28 CYS H 4.050 . 6.300 3.734 2.975 4.420 . 0 0 "[ . 1 . 2 .]" 1
346 1 28 CYS HA 1 28 CYS HB3 2.300 . 2.800 2.431 2.397 2.484 . 0 0 "[ . 1 . 2 .]" 1
347 1 28 CYS H 1 28 CYS HB3 3.400 . 5.000 3.743 3.713 3.824 . 0 0 "[ . 1 . 2 .]" 1
348 1 28 CYS H 1 28 CYS HB2 2.650 . 3.500 2.610 2.510 2.736 . 0 0 "[ . 1 . 2 .]" 1
349 1 16 TYR HB2 1 29 ARG H 3.400 . 5.000 3.843 3.382 4.558 . 0 0 "[ . 1 . 2 .]" 1
350 1 16 TYR QD 1 29 ARG H 4.150 . 6.500 4.419 3.733 4.808 . 0 0 "[ . 1 . 2 .]" 1
351 1 18 THR HB 1 29 ARG H 3.900 . 6.000 5.406 5.149 5.637 . 0 0 "[ . 1 . 2 .]" 1
352 1 18 THR MG 1 29 ARG HE 4.150 . 6.500 4.393 2.418 5.450 . 0 0 "[ . 1 . 2 .]" 1
353 1 18 THR MG 1 29 ARG QG 3.800 . 5.800 3.880 3.344 4.245 . 0 0 "[ . 1 . 2 .]" 1
354 1 18 THR MG 1 29 ARG H 4.150 . 6.500 3.181 2.787 3.477 . 0 0 "[ . 1 . 2 .]" 1
355 1 18 THR H 1 29 ARG H 3.400 . 5.000 2.695 2.419 3.323 . 0 0 "[ . 1 . 2 .]" 1
356 1 19 GLY HA2 1 29 ARG QG 3.550 . 5.300 3.451 2.702 4.527 . 0 0 "[ . 1 . 2 .]" 1
357 1 19 GLY HA2 1 29 ARG H 3.400 . 5.000 3.279 2.639 3.694 . 0 0 "[ . 1 . 2 .]" 1
358 1 28 CYS HA 1 29 ARG H 2.650 . 3.500 2.372 2.262 2.500 . 0 0 "[ . 1 . 2 .]" 1
359 1 28 CYS HB3 1 29 ARG H 3.400 . 5.000 2.831 2.505 3.211 . 0 0 "[ . 1 . 2 .]" 1
360 1 28 CYS HB2 1 29 ARG H 3.400 . 5.000 3.734 3.503 4.017 . 0 0 "[ . 1 . 2 .]" 1
361 1 29 ARG HA 1 29 ARG HB3 2.300 . 2.800 2.568 2.393 2.805 0.005 13 0 "[ . 1 . 2 .]" 1
362 1 29 ARG HA 1 29 ARG QG 2.800 . 3.800 2.296 2.059 2.475 . 0 0 "[ . 1 . 2 .]" 1
363 1 29 ARG H 1 29 ARG HB3 3.400 . 5.000 3.729 3.491 3.862 . 0 0 "[ . 1 . 2 .]" 1
364 1 29 ARG H 1 29 ARG HB2 3.400 . 5.000 2.609 2.429 2.773 . 0 0 "[ . 1 . 2 .]" 1
365 1 29 ARG HD3 1 29 ARG QG 2.450 . 3.100 2.212 2.183 2.549 . 0 0 "[ . 1 . 2 .]" 1
366 1 29 ARG HB3 1 29 ARG HD2 2.650 . 3.500 2.265 1.931 3.505 0.005 3 0 "[ . 1 . 2 .]" 1
367 1 29 ARG HB2 1 29 ARG HD2 2.650 . 3.500 3.084 2.251 3.529 0.029 16 0 "[ . 1 . 2 .]" 1
368 1 29 ARG H 1 29 ARG QG 3.550 . 5.300 3.151 2.548 3.863 . 0 0 "[ . 1 . 2 .]" 1
369 1 16 TYR HA 1 30 ARG HG3 3.400 . 5.000 3.090 2.001 4.401 . 0 0 "[ . 1 . 2 .]" 1
370 1 16 TYR HA 1 30 ARG HG2 3.400 . 5.000 2.237 1.871 3.129 . 0 0 "[ . 1 . 2 .]" 1
371 1 16 TYR QD 1 30 ARG H 3.650 . 5.500 4.198 3.400 5.080 . 0 0 "[ . 1 . 2 .]" 1
372 1 29 ARG HA 1 30 ARG H 2.650 . 3.500 2.282 2.222 2.410 . 0 0 "[ . 1 . 2 .]" 1
373 1 29 ARG HB3 1 30 ARG H 2.650 . 3.500 3.142 2.696 3.460 . 0 0 "[ . 1 . 2 .]" 1
374 1 29 ARG HB2 1 30 ARG H 3.400 . 5.000 4.146 3.815 4.452 . 0 0 "[ . 1 . 2 .]" 1
375 1 29 ARG QG 1 30 ARG H 3.550 . 5.300 4.083 3.478 4.426 . 0 0 "[ . 1 . 2 .]" 1
376 1 30 ARG HA 1 30 ARG HB3 2.300 . 2.800 2.569 2.385 2.846 0.046 8 0 "[ . 1 . 2 .]" 1
377 1 30 ARG HA 1 30 ARG HG3 2.650 . 3.500 3.008 2.233 3.510 0.010 11 0 "[ . 1 . 2 .]" 1
378 1 30 ARG HA 1 30 ARG HG2 2.650 . 3.500 2.510 1.940 3.489 . 0 0 "[ . 1 . 2 .]" 1
379 1 30 ARG H 1 30 ARG HB3 3.400 . 5.000 3.501 3.183 3.650 . 0 0 "[ . 1 . 2 .]" 1
380 1 30 ARG H 1 30 ARG HB2 3.400 . 5.000 2.294 2.024 2.593 . 0 0 "[ . 1 . 2 .]" 1
381 1 30 ARG H 1 30 ARG HG2 3.400 . 5.000 3.641 2.906 4.323 . 0 0 "[ . 1 . 2 .]" 1
382 1 30 ARG H 1 31 THR H 3.400 . 5.000 4.340 3.505 4.626 . 0 0 "[ . 1 . 2 .]" 1
383 1 17 ASN HB3 1 31 THR H 3.400 . 5.000 3.604 1.872 4.560 . 0 0 "[ . 1 . 2 .]" 1
384 1 17 ASN HB2 1 31 THR H 3.400 . 5.000 3.135 2.257 3.926 . 0 0 "[ . 1 . 2 .]" 1
385 1 30 ARG HA 1 31 THR H 2.650 . 3.500 2.693 2.325 2.999 . 0 0 "[ . 1 . 2 .]" 1
386 1 30 ARG HB3 1 31 THR H 3.400 . 5.000 2.467 1.870 4.473 . 0 0 "[ . 1 . 2 .]" 1
387 1 31 THR HA 1 31 THR HB 2.650 . 3.500 2.602 2.387 3.009 . 0 0 "[ . 1 . 2 .]" 1
388 1 31 THR HA 1 31 THR MG 2.900 . 4.000 2.564 1.946 3.187 . 0 0 "[ . 1 . 2 .]" 1
389 1 31 THR H 1 31 THR HB 3.400 . 5.000 3.147 2.492 3.722 . 0 0 "[ . 1 . 2 .]" 1
390 1 31 THR H 1 31 THR MG 3.650 . 5.500 2.585 1.837 3.857 . 0 0 "[ . 1 . 2 .]" 1
391 1 31 THR HB 1 32 SER H 3.400 . 5.000 3.895 1.953 4.679 . 0 0 "[ . 1 . 2 .]" 1
392 1 31 THR MG 1 32 SER H 4.150 . 6.500 3.554 2.211 4.373 . 0 0 "[ . 1 . 2 .]" 1
393 1 32 SER H 1 32 SER HA 2.650 . 3.500 2.973 2.889 3.004 . 0 0 "[ . 1 . 2 .]" 1
394 1 32 SER H 1 32 SER HB3 3.400 . 5.000 3.252 2.151 3.804 . 0 0 "[ . 1 . 2 .]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 26
_Distance_constraint_stats_list.Viol_count 48
_Distance_constraint_stats_list.Viol_total 13.839
_Distance_constraint_stats_list.Viol_max 0.041
_Distance_constraint_stats_list.Viol_rms 0.0038
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0009
_Distance_constraint_stats_list.Viol_average_violations_only 0.0115
_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 4 ASP 0.066 0.019 2 0 "[ . 1 . 2 .]"
1 5 ARG 0.211 0.033 24 0 "[ . 1 . 2 .]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 8 SER 0.066 0.019 2 0 "[ . 1 . 2 .]"
1 9 LEU 0.322 0.033 24 0 "[ . 1 . 2 .]"
1 10 ASP 0.006 0.006 10 0 "[ . 1 . 2 .]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2 .]"
1 13 MET 0.112 0.019 16 0 "[ . 1 . 2 .]"
1 14 LYS 0.006 0.006 10 0 "[ . 1 . 2 .]"
1 18 THR 0.014 0.010 4 0 "[ . 1 . 2 .]"
1 20 SER 0.021 0.010 22 0 "[ . 1 . 2 .]"
1 22 VAL 0.124 0.041 2 0 "[ . 1 . 2 .]"
1 25 SER 0.124 0.041 2 0 "[ . 1 . 2 .]"
1 27 GLN 0.021 0.010 22 0 "[ . 1 . 2 .]"
1 29 ARG 0.014 0.010 4 0 "[ . 1 . 2 .]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 ASP O 1 8 SER N 2.300 2.300 3.300 3.093 2.724 3.287 . 0 0 "[ . 1 . 2 .]" 2
2 1 4 ASP O 1 8 SER H 1.300 . 2.300 2.147 1.824 2.319 0.019 2 0 "[ . 1 . 2 .]" 2
3 1 5 ARG O 1 9 LEU N 2.300 2.300 3.300 3.231 3.087 3.309 0.009 24 0 "[ . 1 . 2 .]" 2
4 1 5 ARG O 1 9 LEU H 1.300 . 2.300 2.284 2.142 2.333 0.033 24 0 "[ . 1 . 2 .]" 2
5 1 6 ASP O 1 10 ASP N 2.300 2.300 3.300 3.018 2.851 3.174 . 0 0 "[ . 1 . 2 .]" 2
6 1 6 ASP O 1 10 ASP H 1.300 . 2.300 2.081 1.905 2.279 . 0 0 "[ . 1 . 2 .]" 2
7 1 7 CYS O 1 11 CYS N 2.300 2.300 3.300 2.688 2.443 2.856 . 0 0 "[ . 1 . 2 .]" 2
8 1 7 CYS O 1 11 CYS H 1.300 . 2.300 1.772 1.539 2.037 . 0 0 "[ . 1 . 2 .]" 2
9 1 8 SER O 1 12 ILE N 2.300 2.300 3.300 2.813 2.590 3.023 . 0 0 "[ . 1 . 2 .]" 2
10 1 8 SER O 1 12 ILE H 1.300 . 2.300 1.881 1.668 2.169 . 0 0 "[ . 1 . 2 .]" 2
11 1 9 LEU O 1 13 MET N 2.300 2.300 3.300 3.100 2.904 3.213 . 0 0 "[ . 1 . 2 .]" 2
12 1 9 LEU O 1 13 MET H 1.300 . 2.300 2.281 2.129 2.319 0.019 16 0 "[ . 1 . 2 .]" 2
13 1 10 ASP O 1 14 LYS N 2.300 2.300 3.300 2.893 2.583 3.229 . 0 0 "[ . 1 . 2 .]" 2
14 1 10 ASP O 1 14 LYS H 1.300 . 2.300 1.959 1.609 2.306 0.006 10 0 "[ . 1 . 2 .]" 2
15 1 18 THR N 1 29 ARG O 2.300 2.300 3.300 3.030 2.821 3.187 . 0 0 "[ . 1 . 2 .]" 2
16 1 18 THR H 1 29 ARG O 1.300 . 2.300 2.163 1.912 2.310 0.010 4 0 "[ . 1 . 2 .]" 2
17 1 20 SER N 1 27 GLN O 2.300 2.300 3.300 3.005 2.814 3.120 . 0 0 "[ . 1 . 2 .]" 2
18 1 20 SER H 1 27 GLN O 1.300 . 2.300 2.182 1.973 2.307 0.007 13 0 "[ . 1 . 2 .]" 2
19 1 22 VAL N 1 25 SER O 2.300 2.300 3.300 3.056 2.684 3.240 . 0 0 "[ . 1 . 2 .]" 2
20 1 22 VAL H 1 25 SER O 1.300 . 2.300 2.195 1.800 2.341 0.041 2 0 "[ . 1 . 2 .]" 2
21 1 22 VAL O 1 25 SER N 2.300 2.300 3.300 2.649 2.429 3.017 . 0 0 "[ . 1 . 2 .]" 2
22 1 22 VAL O 1 25 SER H 1.300 . 2.300 1.910 1.591 2.229 . 0 0 "[ . 1 . 2 .]" 2
23 1 20 SER O 1 27 GLN N 2.300 2.300 3.300 3.018 2.646 3.178 . 0 0 "[ . 1 . 2 .]" 2
24 1 20 SER O 1 27 GLN H 1.300 . 2.300 2.110 1.676 2.310 0.010 22 0 "[ . 1 . 2 .]" 2
25 1 18 THR O 1 29 ARG N 2.300 2.300 3.300 2.503 2.424 2.714 . 0 0 "[ . 1 . 2 .]" 2
26 1 18 THR O 1 29 ARG H 1.300 . 2.300 1.622 1.549 1.859 . 0 0 "[ . 1 . 2 .]" 2
stop_
save_