NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442817 |
2kdl   |
16116 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kdl
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 305
_Distance_constraint_stats_list.Viol_count 640
_Distance_constraint_stats_list.Viol_total 1516.138
_Distance_constraint_stats_list.Viol_max 0.511
_Distance_constraint_stats_list.Viol_rms 0.0542
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0124
_Distance_constraint_stats_list.Viol_average_violations_only 0.1184
_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 2 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 TYR 0.018 0.015 1 0 "[ . 1 . 2]"
1 4 LYS 2.140 0.353 11 0 "[ . 1 . 2]"
1 5 LEU 0.024 0.024 11 0 "[ . 1 . 2]"
1 6 ILE 0.168 0.056 20 0 "[ . 1 . 2]"
1 7 LEU 0.610 0.094 9 0 "[ . 1 . 2]"
1 8 ASN 1.670 0.431 19 0 "[ . 1 . 2]"
1 9 LEU 1.284 0.075 6 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 0.776 0.091 6 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LYS 7.343 0.499 8 0 "[ . 1 . 2]"
1 14 GLU 12.393 0.498 9 0 "[ . 1 . 2]"
1 15 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ILE 3.658 0.136 2 0 "[ . 1 . 2]"
1 18 LYS 3.962 0.142 14 0 "[ . 1 . 2]"
1 19 GLU 9.898 0.494 15 0 "[ . 1 . 2]"
1 20 LEU 7.530 0.238 12 0 "[ . 1 . 2]"
1 21 VAL 3.044 0.170 18 0 "[ . 1 . 2]"
1 22 ASP 2.916 0.170 13 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.012 0.011 2 0 "[ . 1 . 2]"
1 26 ALA 0.152 0.050 12 0 "[ . 1 . 2]"
1 27 GLU 4.134 0.500 18 0 "[ . 1 . 2]"
1 28 LYS 0.011 0.008 6 0 "[ . 1 . 2]"
1 29 TYR 0.155 0.050 12 0 "[ . 1 . 2]"
1 30 ILE 1.150 0.154 8 0 "[ . 1 . 2]"
1 31 LYS 1.241 0.154 8 0 "[ . 1 . 2]"
1 32 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ILE 0.188 0.046 6 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.147 0.033 10 0 "[ . 1 . 2]"
1 36 ALA 0.036 0.025 2 0 "[ . 1 . 2]"
1 37 LYS 1.142 0.083 4 0 "[ . 1 . 2]"
1 38 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.490 0.056 7 0 "[ . 1 . 2]"
1 40 GLU 0.009 0.009 14 0 "[ . 1 . 2]"
1 41 GLY 0.009 0.009 14 0 "[ . 1 . 2]"
1 42 VAL 0.061 0.019 18 0 "[ . 1 . 2]"
1 43 TRP 3.246 0.169 1 0 "[ . 1 . 2]"
1 44 THR 0.022 0.022 9 0 "[ . 1 . 2]"
1 45 LEU 7.305 0.485 16 0 "[ . 1 . 2]"
1 46 LYS 3.070 0.511 17 1 "[ . 1 . + 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLU 0.970 0.085 5 0 "[ . 1 . 2]"
1 49 ILE 0.265 0.246 8 0 "[ . 1 . 2]"
1 50 LYS 1.033 0.085 5 0 "[ . 1 . 2]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 4.298 0.368 4 0 "[ . 1 . 2]"
1 53 THR 2.158 0.310 18 0 "[ . 1 . 2]"
1 54 VAL 0.081 0.032 16 0 "[ . 1 . 2]"
1 55 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLU 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 3 TYR QB 1 3 TYR QE 3.000 . 4.000 3.943 3.936 3.957 . 0 0 "[ . 1 . 2]" 1
2 1 29 TYR HB2 1 29 TYR QD 2.500 . 3.000 2.224 2.214 2.270 . 0 0 "[ . 1 . 2]" 1
3 1 43 TRP HA 1 43 TRP HD1 4.000 2.800 5.000 4.011 3.304 4.677 . 0 0 "[ . 1 . 2]" 1
4 1 43 TRP HB2 1 43 TRP HD1 3.000 . 4.000 3.120 2.555 3.815 . 0 0 "[ . 1 . 2]" 1
5 1 43 TRP HA 1 43 TRP HE3 3.000 . 4.000 3.069 1.968 4.031 0.031 4 0 "[ . 1 . 2]" 1
6 1 43 TRP HB2 1 43 TRP HE3 3.000 2.800 4.000 3.484 2.631 4.167 0.169 1 0 "[ . 1 . 2]" 1
7 1 52 PHE HA 1 52 PHE QD 3.000 2.800 4.000 2.832 2.432 3.585 0.368 4 0 "[ . 1 . 2]" 1
8 1 52 PHE HB2 1 52 PHE QD 3.000 . 4.000 2.450 2.311 2.603 . 0 0 "[ . 1 . 2]" 1
9 1 52 PHE HA 1 52 PHE QE 4.000 . 5.500 4.532 4.310 5.574 0.074 7 0 "[ . 1 . 2]" 1
10 1 2 THR H 1 2 THR HA 3.000 . 4.000 2.746 2.271 2.948 . 0 0 "[ . 1 . 2]" 1
11 1 2 THR H 1 2 THR HB 4.000 . 5.500 3.365 2.635 4.013 . 0 0 "[ . 1 . 2]" 1
12 1 2 THR H 1 2 THR MG 4.000 . 5.500 2.879 1.881 4.064 . 0 0 "[ . 1 . 2]" 1
13 1 3 TYR H 1 3 TYR HA 3.000 2.800 4.000 2.900 2.819 2.947 . 0 0 "[ . 1 . 2]" 1
14 1 3 TYR H 1 3 TYR QB 3.000 . 4.000 2.447 2.092 3.133 . 0 0 "[ . 1 . 2]" 1
15 1 3 TYR H 1 3 TYR QD 4.500 2.800 6.000 3.685 2.785 4.539 0.015 1 0 "[ . 1 . 2]" 1
16 1 4 LYS H 1 4 LYS HA 3.000 . 4.000 2.862 2.271 2.948 . 0 0 "[ . 1 . 2]" 1
17 1 4 LYS H 1 4 LYS QB . 2.800 3.000 2.774 2.447 3.043 0.353 11 0 "[ . 1 . 2]" 1
18 1 4 LYS H 1 4 LYS QE 4.000 . 5.500 4.304 2.297 5.513 0.013 3 0 "[ . 1 . 2]" 1
19 1 4 LYS H 1 4 LYS QG 3.000 . 4.000 2.627 1.968 4.039 0.039 11 0 "[ . 1 . 2]" 1
20 1 5 LEU H 1 5 LEU HA 2.500 . 3.000 2.633 2.267 2.885 . 0 0 "[ . 1 . 2]" 1
21 1 5 LEU H 1 5 LEU QB 2.500 . 3.000 2.910 2.755 3.024 0.024 11 0 "[ . 1 . 2]" 1
22 1 5 LEU H 1 5 LEU MD1 4.000 . 5.500 4.067 2.954 4.485 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE H 1 6 ILE HA 2.500 . 3.000 2.896 2.776 2.956 . 0 0 "[ . 1 . 2]" 1
24 1 6 ILE H 1 6 ILE HB 2.500 . 3.000 2.651 2.389 2.806 . 0 0 "[ . 1 . 2]" 1
25 1 6 ILE H 1 6 ILE MD 2.500 . 3.000 2.841 1.912 3.051 0.051 11 0 "[ . 1 . 2]" 1
26 1 6 ILE H 1 6 ILE QG 2.500 . 3.000 2.474 1.968 3.056 0.056 20 0 "[ . 1 . 2]" 1
27 1 6 ILE H 1 6 ILE MG 3.000 . 4.000 3.823 3.732 3.921 . 0 0 "[ . 1 . 2]" 1
28 1 6 ILE HA 1 7 LEU H 2.500 . 3.000 2.202 2.142 2.372 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE HB 1 7 LEU H 4.000 . 5.500 4.332 4.170 4.519 . 0 0 "[ . 1 . 2]" 1
30 1 6 ILE MG 1 7 LEU H 4.500 2.800 6.000 3.119 2.777 3.587 0.023 1 0 "[ . 1 . 2]" 1
31 1 7 LEU H 1 7 LEU HA 3.000 . 4.000 2.841 2.266 2.950 . 0 0 "[ . 1 . 2]" 1
32 1 7 LEU H 1 7 LEU QB 2.500 . 3.000 2.484 2.064 3.094 0.094 9 0 "[ . 1 . 2]" 1
33 1 7 LEU H 1 7 LEU MD1 3.000 . 4.000 3.039 1.897 4.060 0.060 20 0 "[ . 1 . 2]" 1
34 1 7 LEU HA 1 8 ASN H 3.000 . 4.000 3.479 2.232 3.573 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU QB 1 8 ASN H 3.000 . 4.000 2.329 1.888 3.453 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU MD1 1 8 ASN H 3.000 . 4.000 3.807 3.030 4.041 0.041 9 0 "[ . 1 . 2]" 1
37 1 8 ASN H 1 8 ASN HA 3.000 2.800 4.000 2.837 2.369 2.944 0.431 19 0 "[ . 1 . 2]" 1
38 1 8 ASN H 1 8 ASN QB 3.000 2.800 4.000 2.848 2.539 3.148 0.261 16 0 "[ . 1 . 2]" 1
39 1 8 ASN HA 1 8 ASN HD21 4.500 2.800 6.000 3.973 3.142 4.519 . 0 0 "[ . 1 . 2]" 1
40 1 8 ASN HA 1 8 ASN HD22 4.500 2.800 6.000 4.270 3.791 5.344 . 0 0 "[ . 1 . 2]" 1
41 1 8 ASN QB 1 8 ASN HD21 3.000 . 4.000 2.178 2.091 2.262 . 0 0 "[ . 1 . 2]" 1
42 1 8 ASN HA 1 9 LEU H 3.000 . 4.000 2.785 2.121 3.566 . 0 0 "[ . 1 . 2]" 1
43 1 8 ASN QB 1 9 LEU H 3.000 . 4.000 3.535 2.543 3.968 . 0 0 "[ . 1 . 2]" 1
44 1 8 ASN H 1 9 LEU H 3.000 . 4.000 2.807 1.890 4.072 0.072 3 0 "[ . 1 . 2]" 1
45 1 9 LEU H 1 9 LEU HA 3.000 2.800 4.000 2.910 2.905 2.913 . 0 0 "[ . 1 . 2]" 1
46 1 9 LEU H 1 9 LEU HB3 3.000 2.800 4.000 3.571 3.537 3.616 . 0 0 "[ . 1 . 2]" 1
47 1 9 LEU H 1 9 LEU HB2 3.000 2.300 4.000 2.312 2.265 2.397 0.035 10 0 "[ . 1 . 2]" 1
48 1 9 LEU H 1 9 LEU MD1 3.000 . 4.000 3.573 2.458 4.003 0.003 20 0 "[ . 1 . 2]" 1
49 1 9 LEU H 1 9 LEU MD2 4.000 . 5.500 2.588 1.945 4.397 . 0 0 "[ . 1 . 2]" 1
50 1 9 LEU HB2 1 10 LYS H 3.000 . 4.000 2.592 2.483 2.703 . 0 0 "[ . 1 . 2]" 1
51 1 9 LEU MD1 1 10 LYS H 4.000 . 5.500 4.490 3.974 4.679 . 0 0 "[ . 1 . 2]" 1
52 1 10 LYS H 1 10 LYS HA 3.000 . 4.000 2.721 2.713 2.731 . 0 0 "[ . 1 . 2]" 1
53 1 10 LYS H 1 10 LYS QB 2.500 . 3.000 2.000 1.988 2.026 . 0 0 "[ . 1 . 2]" 1
54 1 10 LYS H 1 10 LYS QE 4.500 2.800 6.000 4.840 2.969 5.573 . 0 0 "[ . 1 . 2]" 1
55 1 11 GLN H 1 11 GLN HA 3.000 . 4.000 2.846 2.807 2.885 . 0 0 "[ . 1 . 2]" 1
56 1 11 GLN H 1 11 GLN HB3 3.000 . 4.000 2.372 2.290 2.399 . 0 0 "[ . 1 . 2]" 1
57 1 11 GLN H 1 11 GLN HB2 3.000 . 4.000 2.670 2.614 2.774 . 0 0 "[ . 1 . 2]" 1
58 1 11 GLN H 1 11 GLN QG 4.500 2.800 6.000 3.945 3.904 3.969 . 0 0 "[ . 1 . 2]" 1
59 1 11 GLN H 1 13 LYS H 3.000 . 4.000 4.039 4.005 4.091 0.091 6 0 "[ . 1 . 2]" 1
60 1 11 GLN HA 1 11 GLN HE21 4.500 2.800 6.000 4.550 2.842 5.333 . 0 0 "[ . 1 . 2]" 1
61 1 11 GLN HA 1 11 GLN HE22 4.500 2.800 6.000 5.159 3.998 5.992 . 0 0 "[ . 1 . 2]" 1
62 1 11 GLN HB3 1 11 GLN HE21 4.000 . 5.500 3.854 1.982 4.619 . 0 0 "[ . 1 . 2]" 1
63 1 11 GLN HB3 1 11 GLN HE22 4.500 2.800 6.000 4.738 3.386 5.351 . 0 0 "[ . 1 . 2]" 1
64 1 11 GLN HE21 1 11 GLN QG 3.000 . 4.000 2.245 2.092 2.577 . 0 0 "[ . 1 . 2]" 1
65 1 11 GLN HB3 1 12 ALA H 2.500 . 3.000 2.594 2.443 2.679 . 0 0 "[ . 1 . 2]" 1
66 1 12 ALA H 1 12 ALA HA 2.500 . 3.000 2.844 2.796 2.874 . 0 0 "[ . 1 . 2]" 1
67 1 12 ALA H 1 12 ALA MB 2.500 . 3.000 2.130 2.054 2.223 . 0 0 "[ . 1 . 2]" 1
68 1 9 LEU HB3 1 13 LYS H 3.000 . 4.000 4.049 4.029 4.075 0.075 6 0 "[ . 1 . 2]" 1
69 1 10 LYS HA 1 13 LYS H 4.000 . 5.500 3.631 3.372 3.963 . 0 0 "[ . 1 . 2]" 1
70 1 12 ALA HA 1 13 LYS H 4.000 . 5.500 3.550 3.535 3.569 . 0 0 "[ . 1 . 2]" 1
71 1 12 ALA MB 1 13 LYS H 3.000 . 4.000 2.512 2.364 2.621 . 0 0 "[ . 1 . 2]" 1
72 1 13 LYS H 1 13 LYS HA 3.000 . 4.000 2.817 2.780 2.868 . 0 0 "[ . 1 . 2]" 1
73 1 13 LYS H 1 13 LYS QB . 2.800 3.000 2.528 2.301 2.784 0.499 8 0 "[ . 1 . 2]" 1
74 1 13 LYS H 1 14 GLU H 3.000 . 4.000 2.729 2.595 2.841 . 0 0 "[ . 1 . 2]" 1
75 1 13 LYS H 1 33 ILE MD 3.000 . 4.000 3.964 3.816 4.046 0.046 6 0 "[ . 1 . 2]" 1
76 1 11 GLN HA 1 14 GLU H 4.000 . 5.500 3.832 3.559 4.013 . 0 0 "[ . 1 . 2]" 1
77 1 13 LYS HA 1 14 GLU H 4.500 2.800 6.000 3.553 3.507 3.572 . 0 0 "[ . 1 . 2]" 1
78 1 13 LYS QB 1 14 GLU H 4.000 . 5.500 2.555 2.309 3.375 . 0 0 "[ . 1 . 2]" 1
79 1 14 GLU H 1 14 GLU HA 3.000 . 4.000 2.802 2.755 2.870 . 0 0 "[ . 1 . 2]" 1
80 1 14 GLU H 1 14 GLU QB 3.000 2.800 4.000 2.378 2.302 2.446 0.498 9 0 "[ . 1 . 2]" 1
81 1 14 GLU H 1 14 GLU QG 3.000 2.800 4.000 3.088 2.446 4.015 0.354 10 0 "[ . 1 . 2]" 1
82 1 14 GLU H 1 15 GLU H 3.000 . 4.000 2.689 2.464 2.847 . 0 0 "[ . 1 . 2]" 1
83 1 15 GLU H 1 15 GLU HA 3.000 . 4.000 2.851 2.806 2.876 . 0 0 "[ . 1 . 2]" 1
84 1 15 GLU H 1 15 GLU QB 3.000 . 4.000 2.169 2.054 2.270 . 0 0 "[ . 1 . 2]" 1
85 1 13 LYS QB 1 16 ALA H 4.000 . 5.500 4.705 4.461 4.921 . 0 0 "[ . 1 . 2]" 1
86 1 14 GLU HA 1 16 ALA H 4.000 . 5.500 4.314 4.116 4.524 . 0 0 "[ . 1 . 2]" 1
87 1 15 GLU QB 1 16 ALA H 3.000 . 4.000 2.757 2.546 2.845 . 0 0 "[ . 1 . 2]" 1
88 1 16 ALA H 1 16 ALA HA 3.000 . 4.000 2.791 2.763 2.839 . 0 0 "[ . 1 . 2]" 1
89 1 16 ALA H 1 16 ALA MB 2.500 . 3.000 2.205 2.029 2.238 . 0 0 "[ . 1 . 2]" 1
90 1 16 ALA H 1 33 ILE MD 3.000 . 4.000 3.624 3.468 3.814 . 0 0 "[ . 1 . 2]" 1
91 1 14 GLU HA 1 17 ILE H 4.500 2.800 5.500 3.730 3.456 3.917 . 0 0 "[ . 1 . 2]" 1
92 1 16 ALA HA 1 17 ILE H 4.000 2.800 5.500 3.549 3.521 3.567 . 0 0 "[ . 1 . 2]" 1
93 1 16 ALA H 1 17 ILE H 3.000 . 4.000 2.771 2.582 2.869 . 0 0 "[ . 1 . 2]" 1
94 1 17 ILE H 1 17 ILE HA 4.000 2.800 5.500 2.850 2.813 2.873 . 0 0 "[ . 1 . 2]" 1
95 1 17 ILE H 1 17 ILE HB . 2.800 3.000 2.724 2.664 2.932 0.136 2 0 "[ . 1 . 2]" 1
96 1 17 ILE H 1 17 ILE MD 3.000 . 4.000 3.113 1.851 4.120 0.120 7 0 "[ . 1 . 2]" 1
97 1 17 ILE H 1 17 ILE QG 4.000 . 5.500 3.446 1.971 4.115 . 0 0 "[ . 1 . 2]" 1
98 1 17 ILE H 1 18 LYS H 4.000 . 5.500 2.612 2.456 2.731 . 0 0 "[ . 1 . 2]" 1
99 1 17 ILE MD 1 18 LYS H 3.000 . 4.000 3.669 2.845 4.116 0.116 8 0 "[ . 1 . 2]" 1
100 1 18 LYS H 1 18 LYS HA 3.000 2.800 4.000 2.770 2.753 2.804 0.047 13 0 "[ . 1 . 2]" 1
101 1 18 LYS H 1 18 LYS QB 2.500 . 3.000 2.264 2.208 2.522 . 0 0 "[ . 1 . 2]" 1
102 1 18 LYS H 1 18 LYS QE 4.500 2.800 6.000 5.154 4.221 6.006 0.006 10 0 "[ . 1 . 2]" 1
103 1 18 LYS H 1 18 LYS QG 3.000 . 4.000 3.757 2.250 4.032 0.032 16 0 "[ . 1 . 2]" 1
104 1 19 GLU H 1 19 GLU HA 3.000 . 4.000 2.803 2.791 2.830 . 0 0 "[ . 1 . 2]" 1
105 1 19 GLU H 1 19 GLU QB . 2.800 3.000 2.455 2.306 2.506 0.494 15 0 "[ . 1 . 2]" 1
106 1 19 GLU H 1 19 GLU QG 3.000 . 4.000 2.511 2.126 4.035 0.035 15 0 "[ . 1 . 2]" 1
107 1 17 ILE HA 1 20 LEU H 4.000 . 5.500 3.466 3.405 3.541 . 0 0 "[ . 1 . 2]" 1
108 1 18 LYS H 1 20 LEU H 3.000 . 4.000 4.117 4.050 4.142 0.142 14 0 "[ . 1 . 2]" 1
109 1 20 LEU H 1 20 LEU HA 2.500 . 3.000 2.826 2.805 2.836 . 0 0 "[ . 1 . 2]" 1
110 1 20 LEU H 1 20 LEU HB3 2.500 . 3.000 3.072 3.045 3.112 0.112 9 0 "[ . 1 . 2]" 1
111 1 20 LEU H 1 20 LEU HB2 2.500 . 3.000 2.056 2.030 2.081 . 0 0 "[ . 1 . 2]" 1
112 1 20 LEU H 1 20 LEU MD1 2.500 . 3.000 3.187 3.146 3.238 0.238 12 0 "[ . 1 . 2]" 1
113 1 20 LEU H 1 20 LEU HG 4.000 2.800 5.000 4.309 4.264 4.330 . 0 0 "[ . 1 . 2]" 1
114 1 20 LEU H 1 21 VAL H 3.000 . 4.000 2.491 2.438 2.560 . 0 0 "[ . 1 . 2]" 1
115 1 18 LYS H 1 21 VAL H 4.500 2.800 6.000 4.357 4.337 4.390 . 0 0 "[ . 1 . 2]" 1
116 1 20 LEU HA 1 21 VAL H 4.500 2.800 6.000 3.491 3.471 3.506 . 0 0 "[ . 1 . 2]" 1
117 1 21 VAL H 1 21 VAL HB 3.000 2.800 4.000 2.648 2.630 2.659 0.170 18 0 "[ . 1 . 2]" 1
118 1 21 VAL H 1 21 VAL MG1 3.000 . 4.000 3.794 3.785 3.805 . 0 0 "[ . 1 . 2]" 1
119 1 21 VAL H 1 22 ASP H 3.000 . 4.000 2.539 2.481 2.616 . 0 0 "[ . 1 . 2]" 1
120 1 19 GLU HA 1 22 ASP H 2.500 . 3.000 3.146 3.116 3.170 0.170 13 0 "[ . 1 . 2]" 1
121 1 21 VAL HB 1 22 ASP H 2.500 . 3.000 2.802 2.787 2.816 . 0 0 "[ . 1 . 2]" 1
122 1 22 ASP H 1 22 ASP HA 3.000 . 4.000 2.874 2.835 2.916 . 0 0 "[ . 1 . 2]" 1
123 1 22 ASP H 1 22 ASP QB 2.500 . 3.000 2.249 2.085 2.724 . 0 0 "[ . 1 . 2]" 1
124 1 22 ASP H 1 23 ALA H 3.000 . 4.000 2.442 2.291 2.565 . 0 0 "[ . 1 . 2]" 1
125 1 20 LEU HA 1 23 ALA H 4.500 2.800 6.000 3.379 3.216 3.527 . 0 0 "[ . 1 . 2]" 1
126 1 22 ASP QB 1 23 ALA H 4.000 . 5.500 3.065 2.863 3.712 . 0 0 "[ . 1 . 2]" 1
127 1 23 ALA H 1 23 ALA MB 3.000 . 4.000 2.418 2.241 2.536 . 0 0 "[ . 1 . 2]" 1
128 1 23 ALA H 1 24 GLY H 4.000 . 4.000 2.612 2.181 2.921 . 0 0 "[ . 1 . 2]" 1
129 1 20 LEU HB3 1 24 GLY H 4.500 2.800 6.000 4.714 4.398 4.994 . 0 0 "[ . 1 . 2]" 1
130 1 20 LEU HB2 1 24 GLY H 4.500 2.800 6.000 5.216 4.836 5.428 . 0 0 "[ . 1 . 2]" 1
131 1 23 ALA HA 1 24 GLY H 3.000 . 4.000 3.555 3.531 3.575 . 0 0 "[ . 1 . 2]" 1
132 1 23 ALA MB 1 24 GLY H 3.000 . 4.000 2.064 1.930 2.434 . 0 0 "[ . 1 . 2]" 1
133 1 24 GLY H 1 24 GLY HA3 2.500 . 3.000 2.922 2.869 2.957 . 0 0 "[ . 1 . 2]" 1
134 1 24 GLY H 1 24 GLY HA2 2.500 . 3.000 2.507 2.313 2.690 . 0 0 "[ . 1 . 2]" 1
135 1 24 GLY H 1 25 THR H 3.000 . 4.000 3.186 2.328 3.804 . 0 0 "[ . 1 . 2]" 1
136 1 20 LEU MD1 1 25 THR H 4.000 . 5.500 4.481 3.312 5.511 0.011 2 0 "[ . 1 . 2]" 1
137 1 24 GLY HA2 1 25 THR H 3.000 . 4.000 3.008 2.150 3.559 . 0 0 "[ . 1 . 2]" 1
138 1 25 THR H 1 25 THR HA 2.500 . 3.000 2.571 2.277 2.950 . 0 0 "[ . 1 . 2]" 1
139 1 25 THR H 1 25 THR HB 3.000 2.800 4.000 2.954 2.799 3.440 0.001 11 0 "[ . 1 . 2]" 1
140 1 25 THR H 1 25 THR MG 3.000 . 4.000 2.977 2.032 3.696 . 0 0 "[ . 1 . 2]" 1
141 1 25 THR H 1 26 ALA H 4.000 2.800 5.500 4.506 4.301 4.645 . 0 0 "[ . 1 . 2]" 1
142 1 25 THR HA 1 26 ALA H 2.500 . 3.000 2.686 2.523 2.782 . 0 0 "[ . 1 . 2]" 1
143 1 25 THR HB 1 26 ALA H 4.500 2.800 6.000 3.565 3.452 3.790 . 0 0 "[ . 1 . 2]" 1
144 1 26 ALA H 1 26 ALA HA . . 3.000 2.817 2.709 2.881 . 0 0 "[ . 1 . 2]" 1
145 1 26 ALA H 1 26 ALA MB 2.500 . 3.000 2.089 2.025 2.176 . 0 0 "[ . 1 . 2]" 1
146 1 26 ALA H 1 29 TYR H 4.000 . 5.500 5.377 5.182 5.550 0.050 12 0 "[ . 1 . 2]" 1
147 1 26 ALA HA 1 27 GLU H 2.500 . 3.000 2.211 2.157 2.302 . 0 0 "[ . 1 . 2]" 1
148 1 26 ALA MB 1 27 GLU H 3.000 . 4.000 3.517 3.391 3.628 . 0 0 "[ . 1 . 2]" 1
149 1 27 GLU H 1 27 GLU HA 3.000 . 4.000 2.775 2.736 2.823 . 0 0 "[ . 1 . 2]" 1
150 1 27 GLU H 1 27 GLU QB 3.000 2.800 4.000 2.593 2.300 2.759 0.500 18 0 "[ . 1 . 2]" 1
151 1 27 GLU H 1 27 GLU QG 4.000 . 5.500 2.213 1.913 4.002 . 0 0 "[ . 1 . 2]" 1
152 1 27 GLU H 1 28 LYS H 4.000 . 5.500 2.734 2.602 2.824 . 0 0 "[ . 1 . 2]" 1
153 1 28 LYS H 1 28 LYS HA 3.000 . 4.000 2.723 2.709 2.744 . 0 0 "[ . 1 . 2]" 1
154 1 28 LYS H 1 28 LYS QB 2.500 . 3.000 2.419 2.059 2.728 . 0 0 "[ . 1 . 2]" 1
155 1 28 LYS H 1 28 LYS QD 2.500 . 3.000 2.560 1.991 3.008 0.008 6 0 "[ . 1 . 2]" 1
156 1 28 LYS H 1 29 TYR H 4.000 . 5.500 2.856 2.786 2.968 . 0 0 "[ . 1 . 2]" 1
157 1 29 TYR H 1 29 TYR HA 4.000 2.800 5.500 2.832 2.796 2.857 0.004 18 0 "[ . 1 . 2]" 1
158 1 29 TYR H 1 29 TYR HB3 4.500 2.800 5.500 3.248 3.109 3.375 . 0 0 "[ . 1 . 2]" 1
159 1 29 TYR H 1 29 TYR HB2 4.000 . 5.500 2.089 2.076 2.110 . 0 0 "[ . 1 . 2]" 1
160 1 20 LEU MD1 1 30 ILE H 4.000 . 5.500 3.228 2.768 3.689 . 0 0 "[ . 1 . 2]" 1
161 1 30 ILE H 1 30 ILE HB 3.000 . 4.000 2.431 2.111 2.767 . 0 0 "[ . 1 . 2]" 1
162 1 30 ILE H 1 30 ILE QG 3.000 . 4.000 3.323 2.090 4.016 0.016 11 0 "[ . 1 . 2]" 1
163 1 30 ILE H 1 30 ILE MG 4.000 . 5.500 3.140 2.495 3.775 . 0 0 "[ . 1 . 2]" 1
164 1 29 TYR HA 1 31 LYS H 4.500 2.800 6.000 4.078 3.924 4.339 . 0 0 "[ . 1 . 2]" 1
165 1 30 ILE HA 1 31 LYS H 4.000 2.800 5.500 3.488 3.467 3.529 . 0 0 "[ . 1 . 2]" 1
166 1 30 ILE MD 1 31 LYS H 3.000 . 4.000 3.881 3.495 4.154 0.154 8 0 "[ . 1 . 2]" 1
167 1 30 ILE H 1 31 LYS H 3.000 . 4.000 2.586 2.441 2.716 . 0 0 "[ . 1 . 2]" 1
168 1 31 LYS H 1 31 LYS HA 3.000 . 4.000 2.822 2.771 2.852 . 0 0 "[ . 1 . 2]" 1
169 1 31 LYS H 1 31 LYS HB3 3.000 . 4.000 2.558 2.481 2.804 . 0 0 "[ . 1 . 2]" 1
170 1 31 LYS H 1 31 LYS HB2 3.000 . 4.000 2.511 2.260 2.607 . 0 0 "[ . 1 . 2]" 1
171 1 31 LYS H 1 31 LYS QG 3.000 . 4.000 3.994 3.964 4.039 0.039 10 0 "[ . 1 . 2]" 1
172 1 31 LYS H 1 32 LEU H 4.000 . 5.500 2.526 2.426 2.666 . 0 0 "[ . 1 . 2]" 1
173 1 32 LEU H 1 32 LEU HB3 3.000 . 4.000 3.044 2.989 3.164 . 0 0 "[ . 1 . 2]" 1
174 1 32 LEU H 1 32 LEU HB2 3.000 . 4.000 2.131 2.063 2.189 . 0 0 "[ . 1 . 2]" 1
175 1 32 LEU H 1 32 LEU MD1 4.000 . 5.500 3.781 3.286 4.263 . 0 0 "[ . 1 . 2]" 1
176 1 31 LYS H 1 33 ILE H 4.000 . 5.500 4.014 3.896 4.144 . 0 0 "[ . 1 . 2]" 1
177 1 32 LEU HA 1 33 ILE H 4.500 2.800 6.000 3.508 3.496 3.545 . 0 0 "[ . 1 . 2]" 1
178 1 33 ILE H 1 33 ILE HB 3.000 2.800 4.000 3.619 3.607 3.639 . 0 0 "[ . 1 . 2]" 1
179 1 33 ILE H 1 33 ILE MD 4.000 . 5.500 4.134 4.100 4.182 . 0 0 "[ . 1 . 2]" 1
180 1 33 ILE H 1 33 ILE QG 3.000 . 4.000 2.657 2.578 2.707 . 0 0 "[ . 1 . 2]" 1
181 1 34 ALA H 1 34 ALA HA 3.000 . 4.000 2.756 2.677 2.790 . 0 0 "[ . 1 . 2]" 1
182 1 34 ALA H 1 34 ALA MB 3.000 . 4.000 2.162 2.028 2.258 . 0 0 "[ . 1 . 2]" 1
183 1 32 LEU HA 1 35 ASN H 4.000 . 5.500 3.950 3.577 4.373 . 0 0 "[ . 1 . 2]" 1
184 1 34 ALA MB 1 35 ASN H 4.000 . 5.500 2.781 2.483 2.972 . 0 0 "[ . 1 . 2]" 1
185 1 34 ALA H 1 35 ASN H 4.000 . 5.500 2.787 2.680 3.039 . 0 0 "[ . 1 . 2]" 1
186 1 35 ASN H 1 35 ASN HB3 4.000 . 5.500 3.202 2.832 3.387 . 0 0 "[ . 1 . 2]" 1
187 1 35 ASN H 1 35 ASN HB2 4.000 . 5.500 2.329 2.211 2.559 . 0 0 "[ . 1 . 2]" 1
188 1 34 ALA MB 1 35 ASN HD21 4.000 . 5.500 4.119 3.037 5.497 . 0 0 "[ . 1 . 2]" 1
189 1 34 ALA MB 1 35 ASN HD22 4.500 2.800 6.000 5.168 4.325 5.954 . 0 0 "[ . 1 . 2]" 1
190 1 35 ASN HA 1 35 ASN HD21 4.000 . 5.500 3.115 1.990 4.267 . 0 0 "[ . 1 . 2]" 1
191 1 35 ASN HA 1 35 ASN HD22 4.000 . 5.500 3.770 3.225 4.382 . 0 0 "[ . 1 . 2]" 1
192 1 35 ASN HB3 1 35 ASN HD21 3.000 . 4.000 3.273 2.589 3.553 . 0 0 "[ . 1 . 2]" 1
193 1 35 ASN HB3 1 35 ASN HD22 4.000 . 5.500 3.955 3.626 4.097 . 0 0 "[ . 1 . 2]" 1
194 1 35 ASN HB2 1 35 ASN HD21 3.000 . 4.000 2.443 2.110 3.549 . 0 0 "[ . 1 . 2]" 1
195 1 35 ASN HB2 1 35 ASN HD22 4.000 . 5.500 3.573 3.429 4.091 . 0 0 "[ . 1 . 2]" 1
196 1 33 ILE HA 1 36 ALA H 4.500 2.800 6.000 2.913 2.775 3.056 0.025 2 0 "[ . 1 . 2]" 1
197 1 33 ILE MD 1 36 ALA H 4.500 2.800 6.000 4.458 3.863 5.309 . 0 0 "[ . 1 . 2]" 1
198 1 35 ASN HA 1 36 ALA H 4.500 2.800 6.000 3.336 3.284 3.483 . 0 0 "[ . 1 . 2]" 1
199 1 35 ASN HB2 1 36 ALA H 4.500 2.800 6.000 3.761 3.186 4.137 . 0 0 "[ . 1 . 2]" 1
200 1 36 ALA H 1 36 ALA MB 3.000 . 4.000 2.281 2.104 2.731 . 0 0 "[ . 1 . 2]" 1
201 1 36 ALA H 1 42 VAL HA 4.500 2.800 6.000 5.239 4.961 5.671 . 0 0 "[ . 1 . 2]" 1
202 1 35 ASN HA 1 37 LYS H 4.500 2.800 6.000 4.820 3.400 6.033 0.033 10 0 "[ . 1 . 2]" 1
203 1 36 ALA H 1 37 LYS H 4.000 . 5.500 3.889 2.943 4.584 . 0 0 "[ . 1 . 2]" 1
204 1 37 LYS H 1 37 LYS HA 3.000 . 4.000 2.634 2.271 2.950 . 0 0 "[ . 1 . 2]" 1
205 1 37 LYS H 1 37 LYS HB3 4.500 2.800 6.000 3.482 2.717 4.120 0.083 4 0 "[ . 1 . 2]" 1
206 1 37 LYS H 1 37 LYS HB2 4.500 2.800 6.000 3.220 2.721 4.096 0.079 4 0 "[ . 1 . 2]" 1
207 1 37 LYS H 1 37 LYS QG 4.500 2.800 6.000 3.552 2.743 4.270 0.057 9 0 "[ . 1 . 2]" 1
208 1 9 LEU MD2 1 38 THR H 4.500 2.800 6.000 5.227 4.005 5.926 . 0 0 "[ . 1 . 2]" 1
209 1 38 THR H 1 38 THR HB 4.500 2.800 6.000 3.456 2.938 3.726 . 0 0 "[ . 1 . 2]" 1
210 1 38 THR H 1 38 THR MG 4.000 . 5.500 3.251 2.047 4.062 . 0 0 "[ . 1 . 2]" 1
211 1 38 THR H 1 39 VAL H 4.000 . 5.500 4.462 4.139 4.587 . 0 0 "[ . 1 . 2]" 1
212 1 9 LEU MD1 1 39 VAL H 3.000 . 4.000 3.401 2.782 4.002 0.002 16 0 "[ . 1 . 2]" 1
213 1 38 THR HA 1 39 VAL H 3.000 . 4.000 2.302 2.149 2.810 . 0 0 "[ . 1 . 2]" 1
214 1 39 VAL H 1 39 VAL HA 4.000 2.800 5.500 2.784 2.744 2.903 0.056 7 0 "[ . 1 . 2]" 1
215 1 38 THR HA 1 40 GLU H 4.000 . 5.500 4.392 4.000 5.106 . 0 0 "[ . 1 . 2]" 1
216 1 39 VAL HA 1 40 GLU H 4.500 2.800 6.000 3.556 3.520 3.571 . 0 0 "[ . 1 . 2]" 1
217 1 40 GLU H 1 40 GLU HA 3.000 . 4.000 2.808 2.778 2.862 . 0 0 "[ . 1 . 2]" 1
218 1 40 GLU H 1 40 GLU QB 2.500 . 3.000 2.115 2.034 2.349 . 0 0 "[ . 1 . 2]" 1
219 1 40 GLU H 1 40 GLU QG 4.000 2.800 5.500 3.715 3.197 4.063 . 0 0 "[ . 1 . 2]" 1
220 1 40 GLU H 1 41 GLY H 3.000 . 4.000 2.708 2.491 2.887 . 0 0 "[ . 1 . 2]" 1
221 1 40 GLU H 1 42 VAL H 4.500 2.800 5.500 4.121 4.017 4.290 . 0 0 "[ . 1 . 2]" 1
222 1 38 THR HA 1 41 GLY H 4.000 . 5.500 4.590 4.322 5.163 . 0 0 "[ . 1 . 2]" 1
223 1 38 THR MG 1 41 GLY H 4.500 2.800 6.000 3.994 3.091 4.405 . 0 0 "[ . 1 . 2]" 1
224 1 38 THR H 1 41 GLY H 4.000 . 5.500 4.223 3.324 4.732 . 0 0 "[ . 1 . 2]" 1
225 1 40 GLU QB 1 41 GLY H 3.000 . 4.000 2.638 2.312 3.549 . 0 0 "[ . 1 . 2]" 1
226 1 40 GLU QG 1 41 GLY H 4.500 2.800 6.000 4.177 2.791 4.451 0.009 14 0 "[ . 1 . 2]" 1
227 1 41 GLY H 1 41 GLY HA2 2.500 . 3.000 2.788 2.768 2.824 . 0 0 "[ . 1 . 2]" 1
228 1 41 GLY H 1 42 VAL H 3.000 . 4.000 2.742 2.644 2.802 . 0 0 "[ . 1 . 2]" 1
229 1 36 ALA MB 1 42 VAL H 3.000 . 4.000 3.071 2.829 3.275 . 0 0 "[ . 1 . 2]" 1
230 1 41 GLY HA2 1 42 VAL H 3.000 . 4.000 3.493 3.472 3.518 . 0 0 "[ . 1 . 2]" 1
231 1 42 VAL H 1 42 VAL HA 3.000 . 4.000 2.877 2.862 2.897 . 0 0 "[ . 1 . 2]" 1
232 1 42 VAL H 1 42 VAL HB 2.500 . 3.000 2.960 2.832 3.019 0.019 18 0 "[ . 1 . 2]" 1
233 1 42 VAL H 1 42 VAL QG 3.000 . 4.000 1.937 1.877 2.014 . 0 0 "[ . 1 . 2]" 1
234 1 42 VAL HB 1 43 TRP H 4.000 . 5.500 2.459 2.347 2.628 . 0 0 "[ . 1 . 2]" 1
235 1 42 VAL QG 1 43 TRP H 4.000 . 5.500 3.049 2.951 3.176 . 0 0 "[ . 1 . 2]" 1
236 1 43 TRP H 1 43 TRP HA 4.500 2.800 6.000 2.794 2.781 2.814 0.019 2 0 "[ . 1 . 2]" 1
237 1 43 TRP H 1 43 TRP HB2 3.000 . 4.000 2.330 2.092 2.553 . 0 0 "[ . 1 . 2]" 1
238 1 43 TRP H 1 43 TRP HD1 4.500 2.800 6.000 4.049 2.869 5.291 . 0 0 "[ . 1 . 2]" 1
239 1 43 TRP H 1 44 THR H 4.000 . 4.000 2.676 2.616 2.726 . 0 0 "[ . 1 . 2]" 1
240 1 43 TRP HA 1 43 TRP HE1 4.500 2.800 6.000 5.294 4.851 5.721 . 0 0 "[ . 1 . 2]" 1
241 1 40 GLU QB 1 44 THR H 4.500 2.800 6.000 4.999 4.680 5.313 . 0 0 "[ . 1 . 2]" 1
242 1 41 GLY HA2 1 44 THR H 4.000 2.800 5.500 3.751 3.630 3.833 . 0 0 "[ . 1 . 2]" 1
243 1 43 TRP HB2 1 44 THR H 3.000 2.800 4.000 3.005 2.778 3.244 0.022 9 0 "[ . 1 . 2]" 1
244 1 43 TRP HD1 1 44 THR H 4.500 2.800 6.000 5.200 4.676 5.760 . 0 0 "[ . 1 . 2]" 1
245 1 44 THR H 1 44 THR HA 2.500 . 3.000 2.857 2.830 2.873 . 0 0 "[ . 1 . 2]" 1
246 1 44 THR H 1 44 THR HB 4.000 . 5.500 2.762 2.482 3.596 . 0 0 "[ . 1 . 2]" 1
247 1 44 THR H 1 44 THR MG 3.000 . 4.000 3.098 2.003 3.765 . 0 0 "[ . 1 . 2]" 1
248 1 44 THR H 1 45 LEU H 3.000 . 4.000 2.582 2.450 2.737 . 0 0 "[ . 1 . 2]" 1
249 1 41 GLY HA2 1 45 LEU H 4.000 . 5.500 4.206 4.082 4.401 . 0 0 "[ . 1 . 2]" 1
250 1 42 VAL HA 1 45 LEU H 4.500 2.800 6.000 3.401 3.237 3.501 . 0 0 "[ . 1 . 2]" 1
251 1 43 TRP H 1 45 LEU H 4.000 . 5.500 4.381 4.183 4.611 . 0 0 "[ . 1 . 2]" 1
252 1 45 LEU H 1 45 LEU HA 2.500 . 3.000 2.778 2.735 2.823 . 0 0 "[ . 1 . 2]" 1
253 1 45 LEU H 1 45 LEU QB 3.000 2.800 4.000 2.435 2.315 2.529 0.485 16 0 "[ . 1 . 2]" 1
254 1 45 LEU H 1 45 LEU MD2 3.000 . 4.000 3.354 1.927 3.762 . 0 0 "[ . 1 . 2]" 1
255 1 45 LEU H 1 46 LYS H 3.000 . 4.000 2.916 2.805 3.053 . 0 0 "[ . 1 . 2]" 1
256 1 33 ILE HB 1 46 LYS H 4.000 . 5.500 4.532 4.362 4.669 . 0 0 "[ . 1 . 2]" 1
257 1 33 ILE MD 1 46 LYS H 4.500 2.300 6.000 5.070 4.784 5.437 . 0 0 "[ . 1 . 2]" 1
258 1 33 ILE QG 1 46 LYS H 4.000 . 5.500 5.163 4.875 5.505 0.005 17 0 "[ . 1 . 2]" 1
259 1 43 TRP HA 1 46 LYS H 4.000 . 5.500 3.948 3.812 4.178 . 0 0 "[ . 1 . 2]" 1
260 1 45 LEU HA 1 46 LYS H 4.000 . 5.500 3.580 3.568 3.589 . 0 0 "[ . 1 . 2]" 1
261 1 46 LYS H 1 46 LYS QB 3.000 2.800 4.000 2.653 2.289 2.865 0.511 17 1 "[ . 1 . + 2]" 1
262 1 46 LYS H 1 47 ASP H 3.000 . 4.000 2.750 2.617 2.862 . 0 0 "[ . 1 . 2]" 1
263 1 46 LYS H 1 49 ILE MD 4.000 . 5.500 3.731 3.632 4.003 . 0 0 "[ . 1 . 2]" 1
264 1 47 ASP H 1 47 ASP QB 3.000 . 4.000 2.192 2.086 2.318 . 0 0 "[ . 1 . 2]" 1
265 1 45 LEU HA 1 48 GLU H 4.000 . 5.500 3.575 3.381 3.711 . 0 0 "[ . 1 . 2]" 1
266 1 46 LYS H 1 48 GLU H 3.000 . 4.000 3.836 3.761 3.943 . 0 0 "[ . 1 . 2]" 1
267 1 47 ASP HA 1 48 GLU H 4.000 . 5.500 3.467 3.447 3.498 . 0 0 "[ . 1 . 2]" 1
268 1 47 ASP QB 1 48 GLU H 3.000 . 4.000 2.898 2.744 2.994 . 0 0 "[ . 1 . 2]" 1
269 1 48 GLU H 1 48 GLU HA 3.000 . 4.000 2.822 2.785 2.853 . 0 0 "[ . 1 . 2]" 1
270 1 48 GLU H 1 48 GLU QB 2.500 . 3.000 2.159 2.068 2.259 . 0 0 "[ . 1 . 2]" 1
271 1 48 GLU H 1 48 GLU QG 3.000 2.800 4.000 3.380 2.907 4.005 0.005 16 0 "[ . 1 . 2]" 1
272 1 48 GLU H 1 49 ILE HB 4.000 . 5.500 5.204 5.076 5.362 . 0 0 "[ . 1 . 2]" 1
273 1 48 GLU H 1 50 LYS H 3.000 . 4.000 4.048 4.018 4.085 0.085 5 0 "[ . 1 . 2]" 1
274 1 45 LEU HA 1 49 ILE H 4.500 2.800 6.000 4.578 4.457 4.726 . 0 0 "[ . 1 . 2]" 1
275 1 48 GLU QB 1 49 ILE H 3.000 . 4.000 2.764 2.434 2.917 . 0 0 "[ . 1 . 2]" 1
276 1 48 GLU H 1 49 ILE H 3.000 . 4.000 2.602 2.488 2.756 . 0 0 "[ . 1 . 2]" 1
277 1 49 ILE H 1 49 ILE HB 2.500 . 3.000 2.803 2.727 3.015 0.015 8 0 "[ . 1 . 2]" 1
278 1 49 ILE H 1 49 ILE MD 2.500 . 3.000 2.792 2.487 3.246 0.246 8 0 "[ . 1 . 2]" 1
279 1 49 ILE H 1 50 LYS H 3.000 . 4.000 2.483 2.401 2.662 . 0 0 "[ . 1 . 2]" 1
280 1 50 LYS H 1 50 LYS HA 3.000 . 4.000 2.835 2.794 2.887 . 0 0 "[ . 1 . 2]" 1
281 1 50 LYS H 1 50 LYS QB 2.500 . 3.000 2.390 2.053 2.909 . 0 0 "[ . 1 . 2]" 1
282 1 50 LYS H 1 50 LYS QD 2.500 . 3.000 2.675 1.958 3.029 0.029 14 0 "[ . 1 . 2]" 1
283 1 50 LYS H 1 50 LYS QE 4.500 2.800 6.000 4.102 3.036 5.032 . 0 0 "[ . 1 . 2]" 1
284 1 50 LYS H 1 50 LYS QG 3.000 . 4.000 2.806 1.819 3.939 . 0 0 "[ . 1 . 2]" 1
285 1 50 LYS QB 1 51 THR H 4.000 . 5.500 2.795 2.331 3.271 . 0 0 "[ . 1 . 2]" 1
286 1 51 THR H 1 51 THR HA 3.000 . 4.000 2.894 2.840 2.934 . 0 0 "[ . 1 . 2]" 1
287 1 51 THR H 1 51 THR HB 4.000 . 5.500 3.124 2.545 3.681 . 0 0 "[ . 1 . 2]" 1
288 1 51 THR H 1 51 THR MG 4.000 . 5.500 3.289 2.255 3.837 . 0 0 "[ . 1 . 2]" 1
289 1 51 THR HA 1 52 PHE H 4.000 . 5.500 3.484 3.400 3.560 . 0 0 "[ . 1 . 2]" 1
290 1 52 PHE H 1 52 PHE HA 3.000 . 4.000 2.613 2.272 2.947 . 0 0 "[ . 1 . 2]" 1
291 1 52 PHE H 1 52 PHE HB3 3.000 . 4.000 3.398 2.716 3.937 . 0 0 "[ . 1 . 2]" 1
292 1 52 PHE H 1 53 THR H 4.000 . 4.000 2.986 2.486 4.310 0.310 18 0 "[ . 1 . 2]" 1
293 1 52 PHE HA 1 53 THR H . 2.800 3.000 2.946 2.607 3.021 0.193 18 0 "[ . 1 . 2]" 1
294 1 52 PHE HB3 1 53 THR H 3.000 2.800 4.000 3.869 2.949 4.069 0.069 20 0 "[ . 1 . 2]" 1
295 1 52 PHE QD 1 53 THR H 4.500 2.800 6.000 4.470 2.725 4.967 0.075 4 0 "[ . 1 . 2]" 1
296 1 53 THR H 1 53 THR HA 3.000 . 4.000 2.740 2.269 2.947 . 0 0 "[ . 1 . 2]" 1
297 1 53 THR H 1 53 THR HB 3.000 . 4.000 3.458 2.666 3.988 . 0 0 "[ . 1 . 2]" 1
298 1 53 THR H 1 53 THR MG 3.000 . 4.000 2.647 1.947 3.619 . 0 0 "[ . 1 . 2]" 1
299 1 54 VAL H 1 54 VAL HA 2.500 . 3.000 2.812 2.269 2.951 . 0 0 "[ . 1 . 2]" 1
300 1 54 VAL H 1 54 VAL HB 3.000 2.800 4.000 3.318 2.768 4.022 0.032 16 0 "[ . 1 . 2]" 1
301 1 54 VAL H 1 54 VAL MG1 3.000 . 4.000 3.160 2.056 3.964 . 0 0 "[ . 1 . 2]" 1
302 1 54 VAL MG1 1 55 THR H 4.000 . 5.500 3.499 1.895 4.190 . 0 0 "[ . 1 . 2]" 1
303 1 55 THR H 1 55 THR HA 2.500 . 3.000 2.749 2.272 2.946 . 0 0 "[ . 1 . 2]" 1
304 1 55 THR H 1 55 THR MG 4.000 . 5.500 3.386 2.164 4.035 . 0 0 "[ . 1 . 2]" 1
305 1 56 GLU H 1 56 GLU HA 3.000 . 4.000 2.828 2.275 2.947 . 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 194
_Distance_constraint_stats_list.Viol_count 544
_Distance_constraint_stats_list.Viol_total 2048.428
_Distance_constraint_stats_list.Viol_max 0.858
_Distance_constraint_stats_list.Viol_rms 0.1007
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0264
_Distance_constraint_stats_list.Viol_average_violations_only 0.1883
_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 THR 0.004 0.004 19 0 "[ . 1 . 2]"
1 3 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 LYS 12.847 0.641 14 11 "[* *.* **1 **+-* * 2]"
1 5 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LEU 1.729 0.110 4 0 "[ . 1 . 2]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLN 2.140 0.110 4 0 "[ . 1 . 2]"
1 12 ALA 0.216 0.052 4 0 "[ . 1 . 2]"
1 13 LYS 1.693 0.499 6 0 "[ . 1 . 2]"
1 14 GLU 0.415 0.415 3 0 "[ . 1 . 2]"
1 15 GLU 0.415 0.415 3 0 "[ . 1 . 2]"
1 16 ALA 18.414 0.858 8 13 "[ **.* + ** * *****-]"
1 17 ILE 10.925 0.442 11 0 "[ . 1 . 2]"
1 18 LYS 4.424 0.305 17 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 5.064 0.143 15 0 "[ . 1 . 2]"
1 21 VAL 4.424 0.305 17 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 8.085 0.503 19 1 "[ . 1 . +2]"
1 26 ALA 7.450 0.503 19 1 "[ . 1 . +2]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 LYS 0.553 0.061 9 0 "[ . 1 . 2]"
1 29 TYR 3.653 0.311 19 0 "[ . 1 . 2]"
1 30 ILE 7.992 0.471 9 0 "[ . 1 . 2]"
1 31 LYS 1.058 0.061 9 0 "[ . 1 . 2]"
1 32 LEU 2.218 0.127 9 0 "[ . 1 . 2]"
1 33 ILE 2.328 0.499 6 0 "[ . 1 . 2]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ASN 0.057 0.013 17 0 "[ . 1 . 2]"
1 36 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 VAL 0.151 0.027 18 0 "[ . 1 . 2]"
1 40 GLU 0.347 0.060 16 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 13.860 0.673 19 20 [*************-****+*]
1 43 TRP 0.451 0.052 4 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 8.884 0.398 20 0 "[ . 1 . 2]"
1 46 LYS 20.313 0.858 8 13 "[ **.* + ** * *****-]"
1 47 ASP 0.805 0.107 9 0 "[ . 1 . 2]"
1 48 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ILE 0.535 0.236 7 0 "[ . 1 . 2]"
1 50 LYS 1.245 0.236 7 0 "[ . 1 . 2]"
1 51 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 0.399 0.179 7 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 VAL 0.017 0.015 18 0 "[ . 1 . 2]"
1 55 THR 7.324 0.474 7 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 2 THR HA 1 2 THR HB 2.500 . 3.000 2.590 2.278 3.004 0.004 19 0 "[ . 1 . 2]" 2
2 1 3 TYR QB 1 4 LYS H 4.000 . 5.500 2.914 2.147 3.977 . 0 0 "[ . 1 . 2]" 2
3 1 3 TYR H 1 4 LYS HA 4.000 . 5.500 4.969 4.278 5.446 . 0 0 "[ . 1 . 2]" 2
4 1 4 LYS HA 1 4 LYS QG 3.000 2.800 4.000 2.848 2.438 3.412 0.362 11 0 "[ . 1 . 2]" 2
5 1 4 LYS QE 1 4 LYS QG 4.500 2.800 6.000 2.306 2.159 2.549 0.641 14 11 "[* *.* **1 **+-* * 2]" 2
6 1 4 LYS HA 1 5 LEU QB 3.000 . 4.000 3.665 3.645 3.759 . 0 0 "[ . 1 . 2]" 2
7 1 5 LEU QB 1 5 LEU MD1 2.500 . 3.000 2.143 1.959 2.237 . 0 0 "[ . 1 . 2]" 2
8 1 5 LEU HA 1 5 LEU MD1 3.000 . 4.000 2.598 2.070 3.334 . 0 0 "[ . 1 . 2]" 2
9 1 6 ILE HA 1 6 ILE MD 4.000 . 5.500 3.771 1.847 3.914 . 0 0 "[ . 1 . 2]" 2
10 1 6 ILE HA 1 6 ILE QG 3.000 . 4.000 2.518 2.377 2.929 . 0 0 "[ . 1 . 2]" 2
11 1 6 ILE HB 1 6 ILE MD 2.500 . 3.000 2.207 2.049 2.829 . 0 0 "[ . 1 . 2]" 2
12 1 6 ILE MD 1 6 ILE MG 3.000 . 4.000 2.650 2.502 2.952 . 0 0 "[ . 1 . 2]" 2
13 1 6 ILE QG 1 6 ILE MG 2.500 . 3.000 2.050 1.912 2.139 . 0 0 "[ . 1 . 2]" 2
14 1 7 LEU HA 1 7 LEU QB 2.500 . 3.000 2.433 2.141 2.529 . 0 0 "[ . 1 . 2]" 2
15 1 7 LEU HA 1 7 LEU MD1 3.000 . 4.000 2.843 2.045 3.324 . 0 0 "[ . 1 . 2]" 2
16 1 7 LEU QB 1 7 LEU MD1 2.500 . 3.000 2.140 1.989 2.295 . 0 0 "[ . 1 . 2]" 2
17 1 7 LEU QB 1 8 ASN QB 3.000 . 4.000 3.129 2.973 3.225 . 0 0 "[ . 1 . 2]" 2
18 1 7 LEU HA 1 8 ASN QB 4.000 . 5.500 4.403 4.034 4.844 . 0 0 "[ . 1 . 2]" 2
19 1 9 LEU HA 1 9 LEU HB3 3.000 . 4.000 2.583 2.517 2.629 . 0 0 "[ . 1 . 2]" 2
20 1 9 LEU HA 1 9 LEU MD1 3.000 . 4.000 2.294 1.935 3.345 . 0 0 "[ . 1 . 2]" 2
21 1 9 LEU HA 1 9 LEU MD2 3.000 . 4.000 2.843 2.489 3.351 . 0 0 "[ . 1 . 2]" 2
22 1 9 LEU HA 1 10 LYS H 4.500 2.800 6.000 3.501 3.489 3.511 . 0 0 "[ . 1 . 2]" 2
23 1 9 LEU HA 1 11 GLN HB3 4.000 . 5.500 4.603 4.251 4.935 . 0 0 "[ . 1 . 2]" 2
24 1 9 LEU HA 1 39 VAL H 4.500 2.800 6.000 5.685 5.191 6.027 0.027 18 0 "[ . 1 . 2]" 2
25 1 8 ASN H 1 9 LEU HB2 4.500 2.800 6.000 4.712 3.815 5.962 . 0 0 "[ . 1 . 2]" 2
26 1 9 LEU HB3 1 9 LEU MD1 3.000 . 4.000 2.468 2.219 3.073 . 0 0 "[ . 1 . 2]" 2
27 1 9 LEU HB2 1 9 LEU MD1 3.000 . 4.000 2.974 2.003 3.198 . 0 0 "[ . 1 . 2]" 2
28 1 9 LEU HB3 1 10 LYS H 4.000 . 5.500 3.374 3.236 3.524 . 0 0 "[ . 1 . 2]" 2
29 1 9 LEU H 1 10 LYS QB 3.000 . 4.000 3.720 3.703 3.739 . 0 0 "[ . 1 . 2]" 2
30 1 11 GLN HA 1 11 GLN HB2 2.500 . 3.000 2.411 2.377 2.427 . 0 0 "[ . 1 . 2]" 2
31 1 11 GLN HA 1 11 GLN QG 3.000 . 4.000 2.687 2.442 3.044 . 0 0 "[ . 1 . 2]" 2
32 1 11 GLN HA 1 12 ALA H 3.000 . 4.000 3.533 3.521 3.548 . 0 0 "[ . 1 . 2]" 2
33 1 9 LEU H 1 11 GLN HB3 4.000 2.800 5.000 5.079 5.051 5.110 0.110 4 0 "[ . 1 . 2]" 2
34 1 11 GLN HA 1 11 GLN HB3 2.500 . 3.000 3.021 3.015 3.023 0.023 14 0 "[ . 1 . 2]" 2
35 1 11 GLN QG 1 12 ALA H 3.000 . 4.000 3.468 3.251 3.571 . 0 0 "[ . 1 . 2]" 2
36 1 12 ALA HA 1 42 VAL QG 4.000 . 5.500 3.954 3.663 4.153 . 0 0 "[ . 1 . 2]" 2
37 1 12 ALA HA 1 43 TRP HD1 4.500 2.800 6.000 5.863 5.281 6.052 0.052 4 0 "[ . 1 . 2]" 2
38 1 9 LEU HA 1 12 ALA MB 4.000 . 5.500 2.568 2.278 2.921 . 0 0 "[ . 1 . 2]" 2
39 1 12 ALA MB 1 39 VAL MG1 4.000 . 5.500 3.154 2.468 3.752 . 0 0 "[ . 1 . 2]" 2
40 1 12 ALA MB 1 42 VAL QG 4.000 . 5.500 2.038 1.852 2.314 . 0 0 "[ . 1 . 2]" 2
41 1 13 LYS HA 1 15 GLU H 4.000 . 5.500 4.298 4.120 4.614 . 0 0 "[ . 1 . 2]" 2
42 1 13 LYS HA 1 16 ALA MB 4.000 . 5.500 2.496 2.106 2.949 . 0 0 "[ . 1 . 2]" 2
43 1 13 LYS HA 1 33 ILE MD 4.000 . 5.500 1.968 1.858 2.142 . 0 0 "[ . 1 . 2]" 2
44 1 13 LYS HA 1 42 VAL QG 4.000 . 5.500 2.868 2.359 3.380 . 0 0 "[ . 1 . 2]" 2
45 1 13 LYS QB 1 33 ILE MD 4.500 2.800 6.000 2.913 2.301 3.425 0.499 6 0 "[ . 1 . 2]" 2
46 1 14 GLU HA 1 14 GLU QB 2.500 . 3.000 2.376 2.174 2.432 . 0 0 "[ . 1 . 2]" 2
47 1 14 GLU HA 1 14 GLU QG 3.000 . 4.000 2.456 2.337 3.349 . 0 0 "[ . 1 . 2]" 2
48 1 14 GLU HA 1 15 GLU H 4.000 . 5.500 3.516 3.497 3.551 . 0 0 "[ . 1 . 2]" 2
49 1 14 GLU QG 1 15 GLU H 4.500 2.800 6.000 3.926 2.385 4.257 0.415 3 0 "[ . 1 . 2]" 2
50 1 16 ALA HA 1 18 LYS H 4.500 2.800 6.000 4.838 4.639 4.979 . 0 0 "[ . 1 . 2]" 2
51 1 16 ALA HA 1 19 GLU QB 4.000 . 5.500 3.078 2.685 3.206 . 0 0 "[ . 1 . 2]" 2
52 1 16 ALA MB 1 17 ILE H 4.500 2.800 6.000 2.476 2.358 2.650 0.442 11 0 "[ . 1 . 2]" 2
53 1 16 ALA MB 1 42 VAL QG 3.000 . 4.000 2.776 2.699 2.800 . 0 0 "[ . 1 . 2]" 2
54 1 16 ALA MB 1 46 LYS QB 5.000 3.300 6.500 2.703 2.442 2.999 0.858 8 13 "[ **.* + ** * *****-]" 2
55 1 17 ILE HA 1 17 ILE MD 3.000 . 4.000 2.623 1.924 3.392 . 0 0 "[ . 1 . 2]" 2
56 1 17 ILE HA 1 17 ILE QG 4.500 2.800 6.000 2.809 2.416 3.303 0.384 18 0 "[ . 1 . 2]" 2
57 1 14 GLU HA 1 17 ILE HB 4.000 . 5.500 4.197 3.488 4.745 . 0 0 "[ . 1 . 2]" 2
58 1 16 ALA H 1 17 ILE HB 4.500 2.800 6.000 5.333 5.145 5.495 . 0 0 "[ . 1 . 2]" 2
59 1 17 ILE HB 1 17 ILE MD 3.000 . 4.000 2.518 2.142 3.223 . 0 0 "[ . 1 . 2]" 2
60 1 17 ILE HB 1 18 LYS H 4.000 . 5.500 3.208 2.351 3.941 . 0 0 "[ . 1 . 2]" 2
61 1 17 ILE H 1 18 LYS QB 4.000 . 5.500 4.350 4.183 4.881 . 0 0 "[ . 1 . 2]" 2
62 1 18 LYS QB 1 18 LYS QE 4.000 . 5.500 2.996 1.955 3.683 . 0 0 "[ . 1 . 2]" 2
63 1 18 LYS QE 1 18 LYS QG 2.500 . 3.000 2.098 1.947 2.323 . 0 0 "[ . 1 . 2]" 2
64 1 18 LYS QG 1 19 GLU HA 3.000 . 4.000 3.515 2.967 3.586 . 0 0 "[ . 1 . 2]" 2
65 1 18 LYS H 1 19 GLU HA 4.000 . 5.500 5.378 5.260 5.428 . 0 0 "[ . 1 . 2]" 2
66 1 19 GLU HA 1 19 GLU QB 2.500 . 3.000 2.378 2.366 2.394 . 0 0 "[ . 1 . 2]" 2
67 1 20 LEU HA 1 20 LEU HB2 3.000 2.800 4.000 2.766 2.744 2.791 0.056 19 0 "[ . 1 . 2]" 2
68 1 20 LEU HA 1 20 LEU MD1 2.500 . 3.000 2.612 2.568 2.648 . 0 0 "[ . 1 . 2]" 2
69 1 20 LEU HA 1 20 LEU HG 3.000 . 4.000 2.279 2.247 2.311 . 0 0 "[ . 1 . 2]" 2
70 1 20 LEU HA 1 23 ALA MB 3.000 . 4.000 3.148 2.781 3.357 . 0 0 "[ . 1 . 2]" 2
71 1 20 LEU HA 1 24 GLY H 3.000 . 4.000 2.630 2.199 2.858 . 0 0 "[ . 1 . 2]" 2
72 1 17 ILE HA 1 20 LEU HB2 4.500 2.800 6.000 2.744 2.717 2.775 0.083 19 0 "[ . 1 . 2]" 2
73 1 20 LEU HB3 1 20 LEU MD1 3.000 . 4.000 3.097 3.087 3.109 . 0 0 "[ . 1 . 2]" 2
74 1 20 LEU HB2 1 20 LEU MD1 3.000 . 4.000 1.983 1.962 2.015 . 0 0 "[ . 1 . 2]" 2
75 1 20 LEU HB3 1 20 LEU HG 4.500 2.800 6.000 2.669 2.657 2.679 0.143 15 0 "[ . 1 . 2]" 2
76 1 20 LEU HB2 1 20 LEU HG 3.000 . 4.000 2.979 2.971 2.988 . 0 0 "[ . 1 . 2]" 2
77 1 20 LEU H 1 21 VAL HA 4.500 2.800 6.000 5.124 5.085 5.174 . 0 0 "[ . 1 . 2]" 2
78 1 21 VAL HA 1 21 VAL MG1 3.000 . 4.000 2.302 2.221 2.396 . 0 0 "[ . 1 . 2]" 2
79 1 21 VAL HA 1 22 ASP H 4.000 . 5.500 3.515 3.505 3.531 . 0 0 "[ . 1 . 2]" 2
80 1 22 ASP HA 1 22 ASP QB 2.500 . 3.000 2.447 2.181 2.535 . 0 0 "[ . 1 . 2]" 2
81 1 23 ALA H 1 24 GLY HA2 4.500 2.800 6.000 4.313 4.151 4.542 . 0 0 "[ . 1 . 2]" 2
82 1 24 GLY HA3 1 25 THR H 4.000 . 5.500 2.872 2.277 3.564 . 0 0 "[ . 1 . 2]" 2
83 1 20 LEU HG 1 25 THR HA 4.000 . 5.500 5.279 4.706 5.608 0.108 2 0 "[ . 1 . 2]" 2
84 1 25 THR HA 1 25 THR MG 3.000 . 4.000 3.210 3.164 3.223 . 0 0 "[ . 1 . 2]" 2
85 1 20 LEU MD1 1 25 THR HB 4.000 . 5.500 4.090 3.859 4.287 . 0 0 "[ . 1 . 2]" 2
86 1 25 THR MG 1 26 ALA H 4.500 2.800 6.000 2.437 2.297 2.997 0.503 19 1 "[ . 1 . +2]" 2
87 1 25 THR MG 1 29 TYR HB3 4.500 2.800 6.000 4.375 4.033 4.612 . 0 0 "[ . 1 . 2]" 2
88 1 25 THR MG 1 29 TYR HB2 4.000 . 5.500 3.929 3.709 4.182 . 0 0 "[ . 1 . 2]" 2
89 1 25 THR MG 1 29 TYR H 4.000 . 5.500 4.625 4.602 4.657 . 0 0 "[ . 1 . 2]" 2
90 1 26 ALA HA 1 27 GLU HA 4.000 . 5.500 4.476 4.424 4.551 . 0 0 "[ . 1 . 2]" 2
91 1 25 THR HA 1 26 ALA MB 4.000 2.800 5.000 4.226 4.163 4.287 . 0 0 "[ . 1 . 2]" 2
92 1 26 ALA MB 1 28 LYS H 4.000 . 5.500 3.266 3.147 3.378 . 0 0 "[ . 1 . 2]" 2
93 1 26 ALA MB 1 29 TYR H 4.000 . 5.500 3.013 2.903 3.090 . 0 0 "[ . 1 . 2]" 2
94 1 20 LEU MD1 1 27 GLU HA 2.500 . 3.000 2.585 2.555 2.614 . 0 0 "[ . 1 . 2]" 2
95 1 27 GLU HA 1 27 GLU QG 3.000 . 4.000 3.041 2.377 3.399 . 0 0 "[ . 1 . 2]" 2
96 1 27 GLU HA 1 28 LYS H 4.000 . 5.500 3.488 3.477 3.499 . 0 0 "[ . 1 . 2]" 2
97 1 29 TYR HA 1 29 TYR HB3 4.500 2.800 5.500 2.857 2.790 2.930 0.010 16 0 "[ . 1 . 2]" 2
98 1 29 TYR HA 1 29 TYR HB2 . 2.800 4.000 2.843 2.761 2.909 0.039 17 0 "[ . 1 . 2]" 2
99 1 26 ALA MB 1 29 TYR HB3 4.000 . 5.500 4.608 4.596 4.627 . 0 0 "[ . 1 . 2]" 2
100 1 26 ALA MB 1 29 TYR HB2 3.000 . 4.000 3.069 3.032 3.172 . 0 0 "[ . 1 . 2]" 2
101 1 29 TYR HB3 1 29 TYR QD 4.500 2.800 6.000 2.620 2.489 2.663 0.311 19 0 "[ . 1 . 2]" 2
102 1 29 TYR HB3 1 30 ILE HB 4.500 2.800 6.000 4.859 4.343 5.598 . 0 0 "[ . 1 . 2]" 2
103 1 29 TYR HB3 1 49 ILE MD 3.000 . 4.000 1.876 1.820 1.929 . 0 0 "[ . 1 . 2]" 2
104 1 29 TYR HB2 1 49 ILE MD 3.000 . 4.000 2.698 2.192 3.077 . 0 0 "[ . 1 . 2]" 2
105 1 30 ILE HA 1 30 ILE MD 3.000 . 4.000 2.323 1.844 2.894 . 0 0 "[ . 1 . 2]" 2
106 1 30 ILE HA 1 30 ILE QG 4.500 2.800 5.500 2.677 2.378 3.207 0.422 11 0 "[ . 1 . 2]" 2
107 1 30 ILE HA 1 30 ILE MG 4.500 2.800 6.000 2.858 2.329 3.215 0.471 9 0 "[ . 1 . 2]" 2
108 1 27 GLU HA 1 30 ILE HB 3.000 . 4.000 3.119 2.293 3.681 . 0 0 "[ . 1 . 2]" 2
109 1 30 ILE HB 1 30 ILE MD 3.000 . 4.000 3.139 2.520 3.226 . 0 0 "[ . 1 . 2]" 2
110 1 30 ILE HB 1 31 LYS H 4.000 . 5.500 3.347 2.636 3.903 . 0 0 "[ . 1 . 2]" 2
111 1 31 LYS HA 1 31 LYS HB3 2.500 . 3.000 3.025 3.001 3.030 0.030 9 0 "[ . 1 . 2]" 2
112 1 31 LYS HA 1 31 LYS HB2 2.500 . 3.000 2.485 2.446 2.618 . 0 0 "[ . 1 . 2]" 2
113 1 28 LYS H 1 31 LYS HB3 4.000 . 5.500 5.520 5.488 5.561 0.061 9 0 "[ . 1 . 2]" 2
114 1 28 LYS H 1 31 LYS HB2 4.000 . 5.500 5.390 4.895 5.533 0.033 9 0 "[ . 1 . 2]" 2
115 1 32 LEU HA 1 32 LEU HB2 4.000 2.800 5.500 2.759 2.739 2.809 0.061 15 0 "[ . 1 . 2]" 2
116 1 32 LEU HA 1 32 LEU HB3 4.500 2.800 6.000 2.935 2.895 2.951 . 0 0 "[ . 1 . 2]" 2
117 1 33 ILE HA 1 33 ILE QG 3.000 . 4.000 3.379 3.354 3.403 . 0 0 "[ . 1 . 2]" 2
118 1 33 ILE HA 1 42 VAL HA 4.500 2.800 6.000 3.448 3.251 3.635 . 0 0 "[ . 1 . 2]" 2
119 1 33 ILE HA 1 42 VAL QG 3.000 . 4.000 2.977 2.800 3.099 . 0 0 "[ . 1 . 2]" 2
120 1 33 ILE HA 1 42 VAL H 4.500 2.800 6.000 5.866 5.682 6.000 . 0 0 "[ . 1 . 2]" 2
121 1 33 ILE HB 1 33 ILE MD 3.000 . 4.000 2.198 2.096 2.256 . 0 0 "[ . 1 . 2]" 2
122 1 33 ILE HB 1 42 VAL H 4.000 . 5.500 5.421 5.243 5.528 0.028 18 0 "[ . 1 . 2]" 2
123 1 13 LYS HA 1 34 ALA HA 4.000 . 5.500 4.965 4.541 5.411 . 0 0 "[ . 1 . 2]" 2
124 1 13 LYS QB 1 34 ALA HA 4.000 . 5.500 4.171 3.652 4.904 . 0 0 "[ . 1 . 2]" 2
125 1 34 ALA HA 1 36 ALA H 4.500 2.800 6.000 4.144 3.859 4.840 . 0 0 "[ . 1 . 2]" 2
126 1 33 ILE H 1 34 ALA MB 4.000 . 5.500 4.168 4.025 4.353 . 0 0 "[ . 1 . 2]" 2
127 1 35 ASN HA 1 35 ASN HB3 4.500 2.800 5.500 2.867 2.787 2.992 0.013 17 0 "[ . 1 . 2]" 2
128 1 34 ALA MB 1 35 ASN HB2 4.000 . 5.500 3.753 3.432 4.041 . 0 0 "[ . 1 . 2]" 2
129 1 34 ALA H 1 35 ASN HB2 4.000 . 5.500 4.818 4.633 5.273 . 0 0 "[ . 1 . 2]" 2
130 1 35 ASN HA 1 35 ASN HB2 3.000 . 4.000 2.826 2.641 2.913 . 0 0 "[ . 1 . 2]" 2
131 1 36 ALA HA 1 37 LYS H 3.000 . 4.000 2.958 2.143 3.527 . 0 0 "[ . 1 . 2]" 2
132 1 36 ALA HA 1 42 VAL QG 4.000 . 5.500 3.788 3.676 3.923 . 0 0 "[ . 1 . 2]" 2
133 1 33 ILE HA 1 36 ALA MB 4.000 . 5.500 2.098 1.903 2.359 . 0 0 "[ . 1 . 2]" 2
134 1 36 ALA MB 1 42 VAL HA 4.000 . 5.500 2.559 2.313 2.822 . 0 0 "[ . 1 . 2]" 2
135 1 9 LEU HB3 1 39 VAL HA 4.000 . 5.500 5.375 4.908 5.519 0.019 19 0 "[ . 1 . 2]" 2
136 1 9 LEU MD1 1 39 VAL HA 4.000 . 5.500 2.647 1.940 4.330 . 0 0 "[ . 1 . 2]" 2
137 1 9 LEU MD2 1 39 VAL HA 4.000 . 5.500 3.707 3.062 4.230 . 0 0 "[ . 1 . 2]" 2
138 1 40 GLU HA 1 40 GLU QB 2.500 . 3.000 2.486 2.174 2.541 . 0 0 "[ . 1 . 2]" 2
139 1 40 GLU HA 1 40 GLU QG 3.000 . 4.000 2.292 2.002 3.478 . 0 0 "[ . 1 . 2]" 2
140 1 40 GLU HA 1 42 VAL H 3.000 . 4.000 4.004 3.908 4.060 0.060 16 0 "[ . 1 . 2]" 2
141 1 36 ALA MB 1 41 GLY HA2 4.000 . 5.500 4.430 4.053 4.622 . 0 0 "[ . 1 . 2]" 2
142 1 40 GLU QB 1 41 GLY HA2 4.500 2.800 6.000 3.829 3.682 4.572 . 0 0 "[ . 1 . 2]" 2
143 1 40 GLU QG 1 41 GLY HA2 4.500 2.800 6.000 4.765 3.137 5.351 . 0 0 "[ . 1 . 2]" 2
144 1 41 GLY H 1 41 GLY HA3 3.000 . 4.000 2.295 2.292 2.297 . 0 0 "[ . 1 . 2]" 2
145 1 41 GLY HA2 1 45 LEU MD2 4.500 2.800 6.000 4.724 3.560 5.011 . 0 0 "[ . 1 . 2]" 2
146 1 12 ALA MB 1 42 VAL HA 4.500 2.800 6.000 4.399 4.256 4.606 . 0 0 "[ . 1 . 2]" 2
147 1 42 VAL HA 1 42 VAL HB 4.500 2.800 6.000 2.973 2.958 2.996 . 0 0 "[ . 1 . 2]" 2
148 1 42 VAL HA 1 42 VAL QG 4.500 2.800 6.000 2.132 2.127 2.140 0.673 19 20 [*************-****+*] 2
149 1 42 VAL HA 1 45 LEU QB 4.500 2.800 6.000 2.889 2.753 3.072 0.047 9 0 "[ . 1 . 2]" 2
150 1 12 ALA MB 1 42 VAL HB 4.000 . 5.500 1.974 1.824 2.221 . 0 0 "[ . 1 . 2]" 2
151 1 43 TRP HA 1 43 TRP HB2 3.000 . 4.000 2.976 2.899 3.023 . 0 0 "[ . 1 . 2]" 2
152 1 43 TRP HB3 1 43 TRP HE3 4.500 2.800 6.000 3.448 2.767 4.188 0.033 6 0 "[ . 1 . 2]" 2
153 1 43 TRP H 1 43 TRP HB3 4.000 . 5.500 3.512 3.365 3.599 . 0 0 "[ . 1 . 2]" 2
154 1 43 TRP HB3 1 44 THR H 4.500 2.800 6.000 3.602 3.187 3.915 . 0 0 "[ . 1 . 2]" 2
155 1 43 TRP H 1 44 THR HA 4.500 2.800 6.000 5.279 5.225 5.320 . 0 0 "[ . 1 . 2]" 2
156 1 44 THR HA 1 45 LEU H 4.500 2.800 6.000 3.552 3.515 3.577 . 0 0 "[ . 1 . 2]" 2
157 1 44 THR HA 1 47 ASP QB 4.000 . 5.500 2.682 2.449 2.889 . 0 0 "[ . 1 . 2]" 2
158 1 44 THR HA 1 48 GLU QB 4.500 2.800 6.000 4.375 3.850 4.682 . 0 0 "[ . 1 . 2]" 2
159 1 32 LEU HB3 1 45 LEU HA 4.000 . 5.500 5.570 5.535 5.627 0.127 9 0 "[ . 1 . 2]" 2
160 1 45 LEU HA 1 45 LEU MD2 2.500 . 3.000 2.163 1.933 2.467 . 0 0 "[ . 1 . 2]" 2
161 1 45 LEU QB 1 45 LEU MD2 3.000 . 4.000 2.244 2.066 2.418 . 0 0 "[ . 1 . 2]" 2
162 1 45 LEU QB 1 46 LYS H 4.500 2.800 6.000 2.429 2.402 2.470 0.398 20 0 "[ . 1 . 2]" 2
163 1 20 LEU MD1 1 46 LYS HA 4.500 2.800 4.500 3.855 3.826 3.894 . 0 0 "[ . 1 . 2]" 2
164 1 33 ILE HB 1 46 LYS HA 4.500 2.800 6.000 6.008 5.788 6.067 0.067 15 0 "[ . 1 . 2]" 2
165 1 46 LYS HA 1 46 LYS QG 4.500 2.800 6.000 3.291 2.477 3.393 0.323 17 0 "[ . 1 . 2]" 2
166 1 46 LYS HA 1 47 ASP H 4.500 2.800 6.000 3.562 3.536 3.581 . 0 0 "[ . 1 . 2]" 2
167 1 47 ASP HA 1 47 ASP QB 2.500 . 3.000 2.460 2.366 2.519 . 0 0 "[ . 1 . 2]" 2
168 1 48 GLU HA 1 48 GLU QB 2.500 . 3.000 2.465 2.330 2.540 . 0 0 "[ . 1 . 2]" 2
169 1 48 GLU HA 1 48 GLU QG 3.000 . 4.000 2.302 2.074 2.549 . 0 0 "[ . 1 . 2]" 2
170 1 49 ILE HA 1 49 ILE HB 4.500 2.800 6.000 2.998 2.954 3.008 . 0 0 "[ . 1 . 2]" 2
171 1 49 ILE HB 1 49 ILE MD 2.500 . 3.000 2.080 2.045 2.276 . 0 0 "[ . 1 . 2]" 2
172 1 49 ILE HB 1 50 LYS QE 4.500 2.800 6.000 4.187 2.564 5.359 0.236 7 0 "[ . 1 . 2]" 2
173 1 49 ILE HB 1 50 LYS H 4.000 . 5.500 2.733 2.547 2.810 . 0 0 "[ . 1 . 2]" 2
174 1 50 LYS HA 1 50 LYS QD 3.000 . 4.000 2.562 2.039 3.637 . 0 0 "[ . 1 . 2]" 2
175 1 50 LYS HA 1 50 LYS QE 4.500 2.800 6.000 4.174 3.329 5.166 . 0 0 "[ . 1 . 2]" 2
176 1 50 LYS HA 1 50 LYS QG 3.000 . 4.000 2.694 2.084 3.375 . 0 0 "[ . 1 . 2]" 2
177 1 50 LYS QB 1 50 LYS QD 2.500 . 3.000 2.287 1.992 2.405 . 0 0 "[ . 1 . 2]" 2
178 1 50 LYS QB 1 51 THR HA 4.500 2.800 6.000 3.950 3.827 4.058 . 0 0 "[ . 1 . 2]" 2
179 1 51 THR HA 1 51 THR MG 2.500 . 3.000 2.263 1.989 2.416 . 0 0 "[ . 1 . 2]" 2
180 1 52 PHE HA 1 52 PHE HB3 4.000 2.800 5.500 2.938 2.621 3.014 0.179 7 0 "[ . 1 . 2]" 2
181 1 52 PHE HA 1 53 THR MG 4.500 2.800 6.000 4.207 3.237 5.004 . 0 0 "[ . 1 . 2]" 2
182 1 52 PHE H 1 52 PHE HB2 3.000 . 4.000 2.994 2.293 4.034 0.034 7 0 "[ . 1 . 2]" 2
183 1 52 PHE HB2 1 53 THR H 4.000 . 5.500 4.107 2.126 4.493 . 0 0 "[ . 1 . 2]" 2
184 1 54 VAL HA 1 54 VAL HB 3.000 . 4.000 2.685 2.454 3.020 . 0 0 "[ . 1 . 2]" 2
185 1 54 VAL HA 1 54 VAL MG1 3.000 . 4.000 2.481 2.069 3.208 . 0 0 "[ . 1 . 2]" 2
186 1 54 VAL HA 1 55 THR H 3.000 . 4.000 2.535 2.115 3.554 . 0 0 "[ . 1 . 2]" 2
187 1 54 VAL HB 1 55 THR H 4.500 2.800 6.000 3.849 2.785 4.654 0.015 18 0 "[ . 1 . 2]" 2
188 1 55 THR HA 1 55 THR MG 4.500 2.800 6.000 2.498 2.326 3.226 0.474 7 0 "[ . 1 . 2]" 2
189 1 18 LYS H 1 21 VAL HA 5.000 3.300 6.500 6.721 6.687 6.805 0.305 17 0 "[ . 1 . 2]" 2
190 1 12 ALA HA 1 43 TRP HZ3 4.500 2.300 6.000 3.377 2.892 3.690 . 0 0 "[ . 1 . 2]" 2
191 1 11 GLN HB3 1 43 TRP HZ3 5.000 3.300 6.500 5.279 3.464 6.525 0.025 14 0 "[ . 1 . 2]" 2
192 1 46 LYS HA 1 49 ILE HB 3.000 . 4.000 3.925 3.768 4.029 0.029 8 0 "[ . 1 . 2]" 2
193 1 49 ILE HA 1 50 LYS HA 4.500 2.800 6.000 4.761 4.652 4.842 . 0 0 "[ . 1 . 2]" 2
194 1 47 ASP HA 1 50 LYS HB2 4.500 2.800 6.000 2.843 2.693 4.472 0.107 9 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 50
_Distance_constraint_stats_list.Viol_count 238
_Distance_constraint_stats_list.Viol_total 193.311
_Distance_constraint_stats_list.Viol_max 0.143
_Distance_constraint_stats_list.Viol_rms 0.0231
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0097
_Distance_constraint_stats_list.Viol_average_violations_only 0.0406
_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 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.027 0.015 10 0 "[ . 1 . 2]"
1 11 GLN 0.046 0.016 4 0 "[ . 1 . 2]"
1 12 ALA 0.002 0.002 6 0 "[ . 1 . 2]"
1 13 LYS 0.527 0.070 12 0 "[ . 1 . 2]"
1 14 GLU 0.149 0.025 8 0 "[ . 1 . 2]"
1 15 GLU 0.046 0.016 4 0 "[ . 1 . 2]"
1 16 ALA 0.240 0.042 17 0 "[ . 1 . 2]"
1 17 ILE 0.527 0.070 12 0 "[ . 1 . 2]"
1 18 LYS 0.122 0.025 8 0 "[ . 1 . 2]"
1 19 GLU 0.044 0.019 16 0 "[ . 1 . 2]"
1 20 LEU 0.238 0.042 17 0 "[ . 1 . 2]"
1 21 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ALA 0.044 0.019 16 0 "[ . 1 . 2]"
1 27 GLU 0.175 0.127 19 0 "[ . 1 . 2]"
1 28 LYS 1.715 0.090 6 0 "[ . 1 . 2]"
1 29 TYR 0.276 0.081 3 0 "[ . 1 . 2]"
1 30 ILE 0.563 0.062 6 0 "[ . 1 . 2]"
1 31 LYS 0.175 0.127 19 0 "[ . 1 . 2]"
1 32 LEU 1.715 0.090 6 0 "[ . 1 . 2]"
1 33 ILE 0.276 0.081 3 0 "[ . 1 . 2]"
1 34 ALA 0.563 0.062 6 0 "[ . 1 . 2]"
1 39 VAL 0.422 0.065 5 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.923 0.087 19 0 "[ . 1 . 2]"
1 42 VAL 0.752 0.066 16 0 "[ . 1 . 2]"
1 43 TRP 0.579 0.065 5 0 "[ . 1 . 2]"
1 44 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 LEU 2.378 0.099 19 0 "[ . 1 . 2]"
1 46 LYS 2.771 0.143 7 0 "[ . 1 . 2]"
1 47 ASP 0.277 0.058 9 0 "[ . 1 . 2]"
1 48 GLU 0.083 0.038 6 0 "[ . 1 . 2]"
1 49 ILE 1.455 0.099 19 0 "[ . 1 . 2]"
1 50 LYS 2.019 0.143 7 0 "[ . 1 . 2]"
1 51 THR 0.120 0.058 9 0 "[ . 1 . 2]"
1 52 PHE 0.083 0.038 6 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 9 LEU O 1 13 LYS H 1.800 . 2.500 1.626 1.577 1.740 . 0 0 "[ . 1 . 2]" 3
2 1 9 LEU O 1 13 LYS N 2.800 2.300 3.200 2.599 2.552 2.709 . 0 0 "[ . 1 . 2]" 3
3 1 10 LYS O 1 14 GLU H 1.800 . 2.500 2.021 1.780 2.313 . 0 0 "[ . 1 . 2]" 3
4 1 10 LYS O 1 14 GLU N 2.800 2.300 3.200 2.925 2.721 3.215 0.015 10 0 "[ . 1 . 2]" 3
5 1 11 GLN O 1 15 GLU H 1.800 . 2.500 2.227 1.897 2.413 . 0 0 "[ . 1 . 2]" 3
6 1 11 GLN O 1 15 GLU N 2.800 2.300 3.200 3.073 2.723 3.216 0.016 4 0 "[ . 1 . 2]" 3
7 1 12 ALA O 1 16 ALA H 1.800 . 2.500 1.989 1.666 2.405 . 0 0 "[ . 1 . 2]" 3
8 1 12 ALA O 1 16 ALA N 2.800 2.300 3.200 2.827 2.557 3.202 0.002 6 0 "[ . 1 . 2]" 3
9 1 13 LYS O 1 17 ILE H 1.800 . 2.500 2.299 2.171 2.380 . 0 0 "[ . 1 . 2]" 3
10 1 13 LYS O 1 17 ILE N 2.800 2.300 3.200 3.219 3.063 3.270 0.070 12 0 "[ . 1 . 2]" 3
11 1 14 GLU O 1 18 LYS H 1.800 . 2.500 2.191 1.791 2.307 . 0 0 "[ . 1 . 2]" 3
12 1 14 GLU O 1 18 LYS N 2.800 2.300 3.200 3.126 2.691 3.225 0.025 8 0 "[ . 1 . 2]" 3
13 1 15 GLU O 1 19 GLU H 1.800 . 2.500 1.780 1.633 2.258 . 0 0 "[ . 1 . 2]" 3
14 1 15 GLU O 1 19 GLU N 2.800 2.300 3.200 2.721 2.582 3.145 . 0 0 "[ . 1 . 2]" 3
15 1 16 ALA O 1 20 LEU H 1.800 . 2.500 2.271 2.093 2.354 . 0 0 "[ . 1 . 2]" 3
16 1 16 ALA O 1 20 LEU N 2.800 2.300 3.200 3.170 2.999 3.242 0.042 17 0 "[ . 1 . 2]" 3
17 1 17 ILE O 1 21 VAL H 1.800 . 2.500 1.778 1.700 1.985 . 0 0 "[ . 1 . 2]" 3
18 1 17 ILE O 1 21 VAL N 2.800 2.300 3.200 2.580 2.512 2.755 . 0 0 "[ . 1 . 2]" 3
19 1 18 LYS O 1 22 ASP H 1.800 . 2.500 1.775 1.678 2.021 . 0 0 "[ . 1 . 2]" 3
20 1 18 LYS O 1 22 ASP N 2.800 2.300 3.200 2.608 2.509 2.831 . 0 0 "[ . 1 . 2]" 3
21 1 19 GLU O 1 23 ALA H 1.800 . 2.500 2.162 1.742 2.506 0.006 18 0 "[ . 1 . 2]" 3
22 1 19 GLU O 1 23 ALA N 2.800 2.300 3.200 2.901 2.559 3.219 0.019 16 0 "[ . 1 . 2]" 3
23 1 27 GLU O 1 31 LYS H 1.800 . 2.500 2.177 1.858 2.434 . 0 0 "[ . 1 . 2]" 3
24 1 27 GLU O 1 31 LYS N 2.800 2.300 3.200 3.056 2.797 3.327 0.127 19 0 "[ . 1 . 2]" 3
25 1 28 LYS O 1 32 LEU H 1.800 . 2.500 2.515 2.489 2.535 0.035 2 0 "[ . 1 . 2]" 3
26 1 28 LYS O 1 32 LEU N 2.800 2.300 3.200 3.271 3.242 3.290 0.090 6 0 "[ . 1 . 2]" 3
27 1 29 TYR O 1 33 ILE H 1.800 . 2.500 2.307 1.859 2.506 0.006 18 0 "[ . 1 . 2]" 3
28 1 29 TYR O 1 33 ILE N 2.800 2.300 3.200 3.116 2.726 3.281 0.081 3 0 "[ . 1 . 2]" 3
29 1 30 ILE O 1 34 ALA H 1.800 . 2.500 2.336 1.886 2.438 . 0 0 "[ . 1 . 2]" 3
30 1 30 ILE O 1 34 ALA N 2.800 2.300 3.200 3.168 2.745 3.262 0.062 6 0 "[ . 1 . 2]" 3
31 1 39 VAL O 1 43 TRP H 1.800 . 2.500 2.198 1.810 2.296 . 0 0 "[ . 1 . 2]" 3
32 1 39 VAL O 1 43 TRP N 2.800 2.300 3.200 3.167 2.775 3.265 0.065 5 0 "[ . 1 . 2]" 3
33 1 40 GLU O 1 44 THR H 1.800 . 2.500 2.044 1.840 2.279 . 0 0 "[ . 1 . 2]" 3
34 1 40 GLU O 1 44 THR N 2.800 2.300 3.200 2.918 2.695 3.135 . 0 0 "[ . 1 . 2]" 3
35 1 41 GLY O 1 45 LEU H 1.800 . 2.500 2.348 2.267 2.452 . 0 0 "[ . 1 . 2]" 3
36 1 41 GLY O 1 45 LEU N 2.800 2.300 3.200 3.246 3.219 3.287 0.087 19 0 "[ . 1 . 2]" 3
37 1 42 VAL O 1 46 LYS H 1.800 . 2.500 2.266 2.237 2.297 . 0 0 "[ . 1 . 2]" 3
38 1 42 VAL O 1 46 LYS N 2.800 2.300 3.200 3.238 3.213 3.266 0.066 16 0 "[ . 1 . 2]" 3
39 1 43 TRP O 1 47 ASP H 1.800 . 2.500 2.258 2.030 2.338 . 0 0 "[ . 1 . 2]" 3
40 1 43 TRP O 1 47 ASP N 2.800 2.300 3.200 3.169 2.974 3.230 0.030 2 0 "[ . 1 . 2]" 3
41 1 44 THR O 1 48 GLU H 1.800 . 2.500 1.770 1.640 1.869 . 0 0 "[ . 1 . 2]" 3
42 1 44 THR O 1 48 GLU N 2.800 2.300 3.200 2.521 2.467 2.589 . 0 0 "[ . 1 . 2]" 3
43 1 45 LEU O 1 49 ILE H 1.800 . 2.500 2.458 2.367 2.527 0.027 9 0 "[ . 1 . 2]" 3
44 1 45 LEU O 1 49 ILE N 2.800 2.300 3.200 3.270 3.228 3.299 0.099 19 0 "[ . 1 . 2]" 3
45 1 46 LYS O 1 50 LYS H 1.800 . 2.500 2.390 2.308 2.445 . 0 0 "[ . 1 . 2]" 3
46 1 46 LYS O 1 50 LYS N 2.800 2.300 3.200 3.301 3.240 3.343 0.143 7 0 "[ . 1 . 2]" 3
47 1 47 ASP O 1 51 THR H 1.800 . 2.500 2.188 1.795 2.446 . 0 0 "[ . 1 . 2]" 3
48 1 47 ASP O 1 51 THR N 2.800 2.300 3.200 3.030 2.722 3.258 0.058 9 0 "[ . 1 . 2]" 3
49 1 48 GLU O 1 52 PHE H 1.800 . 2.500 2.124 1.717 2.538 0.038 6 0 "[ . 1 . 2]" 3
50 1 48 GLU O 1 52 PHE N 2.800 2.300 3.200 2.889 2.569 3.219 0.019 8 0 "[ . 1 . 2]" 3
stop_
save_
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