NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
379247 |
1hs5   |
4934 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1hs5
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 400
_Distance_constraint_stats_list.Viol_count 315
_Distance_constraint_stats_list.Viol_total 377.372
_Distance_constraint_stats_list.Viol_max 0.605
_Distance_constraint_stats_list.Viol_rms 0.0232
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0024
_Distance_constraint_stats_list.Viol_average_violations_only 0.0599
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 3 GLU 0.023 0.020 5 0 "[ . 1 . 2]"
1 4 TYR 0.023 0.020 5 0 "[ . 1 . 2]"
1 5 PHE 0.005 0.005 15 0 "[ . 1 . 2]"
1 6 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 LEU 0.009 0.009 2 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.116 0.026 16 0 "[ . 1 . 2]"
1 10 ARG 0.081 0.063 19 0 "[ . 1 . 2]"
1 11 GLY 0.241 0.110 19 0 "[ . 1 . 2]"
1 12 ARG 0.176 0.110 19 0 "[ . 1 . 2]"
1 13 GLU 0.014 0.007 10 0 "[ . 1 . 2]"
1 14 ARG 4.840 0.145 14 0 "[ . 1 . 2]"
1 15 PHE 3.025 0.605 2 1 "[ + . 1 . 2]"
1 16 GLU 0.238 0.062 20 0 "[ . 1 . 2]"
1 17 GLN 1.260 0.106 18 0 "[ . 1 . 2]"
1 18 PHE 10.188 0.536 18 2 "[ - 1 . + 2]"
1 19 ARG 10.424 0.605 2 3 "[ + - 1 . * 2]"
1 20 GLU 0.467 0.062 20 0 "[ . 1 . 2]"
1 21 ARG 0.521 0.077 10 0 "[ . 1 . 2]"
1 22 ASN 0.135 0.050 6 0 "[ . 1 . 2]"
1 23 GLU 2.002 0.086 10 0 "[ . 1 . 2]"
1 24 ALA 0.560 0.040 17 0 "[ . 1 . 2]"
1 25 LEU 0.019 0.019 1 0 "[ . 1 . 2]"
1 26 GLU 0.236 0.050 6 0 "[ . 1 . 2]"
1 27 LEU 1.034 0.077 10 0 "[ . 1 . 2]"
1 28 LYS 0.038 0.019 3 0 "[ . 1 . 2]"
1 29 ASP 0.130 0.031 8 0 "[ . 1 . 2]"
1 30 ALA 0.098 0.025 18 0 "[ . 1 . 2]"
1 31 GLN 0.109 0.031 8 0 "[ . 1 . 2]"
1 32 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 PHE 0.006 0.006 4 0 "[ . 1 . 2]"
2 6 THR 0.116 0.026 16 0 "[ . 1 . 2]"
2 7 LEU 0.043 0.015 17 0 "[ . 1 . 2]"
2 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 ARG 0.005 0.005 15 0 "[ . 1 . 2]"
2 14 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 PHE 0.997 0.077 10 0 "[ . 1 . 2]"
2 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 LYS 0.560 0.056 20 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 18 PHE HB3 1 19 ARG H . . 5.000 3.284 3.077 3.428 . 0 0 "[ . 1 . 2]" 1
2 1 18 PHE HB2 1 19 ARG H . . 5.000 2.261 2.166 2.511 . 0 0 "[ . 1 . 2]" 1
3 1 18 PHE H 1 19 ARG HB3 3.300 . 5.000 4.794 4.523 5.016 0.016 18 0 "[ . 1 . 2]" 1
4 1 18 PHE H 1 19 ARG HB2 3.300 . 5.000 4.904 4.558 5.024 0.024 3 0 "[ . 1 . 2]" 1
5 1 18 PHE H 1 19 ARG HA . . 5.000 5.409 5.287 5.536 0.536 18 2 "[ - 1 . + 2]" 1
6 1 17 GLN H 1 18 PHE H 2.500 . 5.000 2.690 2.582 2.780 . 0 0 "[ . 1 . 2]" 1
7 1 18 PHE H 1 19 ARG H 3.300 . 5.000 2.798 2.636 2.961 . 0 0 "[ . 1 . 2]" 1
8 1 23 GLU H 1 24 ALA MB 3.300 . 6.500 4.245 3.984 4.370 . 0 0 "[ . 1 . 2]" 1
9 1 25 LEU HB3 1 26 GLU H . . 5.000 2.820 2.119 3.259 . 0 0 "[ . 1 . 2]" 1
10 1 25 LEU HB2 1 26 GLU H . . 5.000 3.220 2.582 3.933 . 0 0 "[ . 1 . 2]" 1
11 1 25 LEU MD2 1 26 GLU H 3.300 . 6.500 3.603 2.026 4.520 . 0 0 "[ . 1 . 2]" 1
12 1 25 LEU MD1 1 26 GLU H 3.300 . 6.500 4.378 4.096 4.855 . 0 0 "[ . 1 . 2]" 1
13 1 27 LEU QD 1 28 LYS H 3.300 . 7.400 3.830 2.722 4.245 . 0 0 "[ . 1 . 2]" 1
14 1 30 ALA MB 1 31 GLN HG3 3.300 . 6.500 4.212 2.414 5.260 . 0 0 "[ . 1 . 2]" 1
15 1 30 ALA MB 1 31 GLN HG2 3.300 . 6.500 4.483 3.021 5.226 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 1 4 TYR H 2.500 . 5.000 2.833 2.211 3.570 . 0 0 "[ . 1 . 2]" 1
17 1 3 GLU QB 1 4 TYR H 3.300 . 6.000 3.274 2.018 4.056 . 0 0 "[ . 1 . 2]" 1
18 1 3 GLU H 1 4 TYR HA 5.000 . 5.000 4.805 4.587 5.020 0.020 5 0 "[ . 1 . 2]" 1
19 1 4 TYR HA 1 5 PHE H 2.500 . 5.000 2.532 2.246 2.866 . 0 0 "[ . 1 . 2]" 1
20 1 4 TYR QB 1 5 PHE H 5.000 . 6.000 2.515 1.882 3.407 . 0 0 "[ . 1 . 2]" 1
21 1 4 TYR H 1 5 PHE H 3.300 . 5.000 4.421 4.277 4.488 . 0 0 "[ . 1 . 2]" 1
22 1 5 PHE HA 1 6 THR HA 4.000 . 5.000 4.580 4.491 4.655 . 0 0 "[ . 1 . 2]" 1
23 1 5 PHE HA 1 6 THR MG 4.000 . 6.500 4.636 3.130 5.460 . 0 0 "[ . 1 . 2]" 1
24 1 5 PHE HA 1 6 THR H 2.500 . 5.000 2.452 2.218 2.653 . 0 0 "[ . 1 . 2]" 1
25 1 5 PHE HB3 1 6 THR H 5.000 . 5.000 2.692 2.240 3.719 . 0 0 "[ . 1 . 2]" 1
26 1 5 PHE HB2 1 6 THR H 5.000 . 5.000 3.652 3.162 4.295 . 0 0 "[ . 1 . 2]" 1
27 1 5 PHE H 1 6 THR H 4.000 . 5.000 4.469 4.190 4.535 . 0 0 "[ . 1 . 2]" 1
28 1 6 THR HA 1 7 LEU H 2.500 . 5.000 2.310 2.210 2.492 . 0 0 "[ . 1 . 2]" 1
29 1 5 PHE HA 1 6 THR HB 4.000 . 5.000 4.338 4.120 4.575 . 0 0 "[ . 1 . 2]" 1
30 1 6 THR HB 1 7 LEU H 3.300 . 5.000 4.030 3.559 4.359 . 0 0 "[ . 1 . 2]" 1
31 1 6 THR MG 1 7 LEU HA 3.300 . 6.500 3.701 3.234 4.191 . 0 0 "[ . 1 . 2]" 1
32 1 6 THR MG 1 7 LEU H 2.500 . 6.500 2.802 1.788 4.103 . 0 0 "[ . 1 . 2]" 1
33 1 6 THR H 1 7 LEU H 4.000 . 5.000 4.374 4.191 4.506 . 0 0 "[ . 1 . 2]" 1
34 1 7 LEU HA 1 8 GLN H 5.000 . 5.000 2.335 2.217 2.458 . 0 0 "[ . 1 . 2]" 1
35 1 7 LEU HB3 1 8 GLN H 5.000 . 5.000 3.348 2.691 4.062 . 0 0 "[ . 1 . 2]" 1
36 1 7 LEU HB2 1 8 GLN H 5.000 . 5.000 4.256 4.029 4.535 . 0 0 "[ . 1 . 2]" 1
37 1 7 LEU MD1 1 8 GLN H 2.500 . 6.500 4.103 2.646 4.829 . 0 0 "[ . 1 . 2]" 1
38 1 7 LEU MD2 1 8 GLN H 3.300 . 6.500 2.936 2.015 4.384 . 0 0 "[ . 1 . 2]" 1
39 1 7 LEU H 1 8 GLN H 4.000 . 5.000 4.458 4.341 4.533 . 0 0 "[ . 1 . 2]" 1
40 1 7 LEU HA 1 8 GLN HA 5.000 . 5.000 4.506 4.487 4.541 . 0 0 "[ . 1 . 2]" 1
41 1 7 LEU H 1 8 GLN HA 5.000 . 5.000 4.820 4.666 4.953 . 0 0 "[ . 1 . 2]" 1
42 1 8 GLN HA 1 9 ILE H 5.000 . 5.000 2.234 2.208 2.293 . 0 0 "[ . 1 . 2]" 1
43 1 8 GLN H 1 9 ILE H 4.000 . 5.000 4.399 4.271 4.482 . 0 0 "[ . 1 . 2]" 1
44 1 9 ILE HA 1 10 ARG H 3.300 . 5.000 2.348 2.216 2.500 . 0 0 "[ . 1 . 2]" 1
45 1 8 GLN H 1 9 ILE MD 3.300 . 6.500 3.992 3.076 4.936 . 0 0 "[ . 1 . 2]" 1
46 1 9 ILE MD 1 10 ARG H 4.000 . 6.500 4.791 3.444 5.175 . 0 0 "[ . 1 . 2]" 1
47 1 9 ILE MG 1 10 ARG H 3.300 . 6.500 2.056 1.789 2.713 . 0 0 "[ . 1 . 2]" 1
48 1 10 ARG QD 1 11 GLY H 5.000 . 6.000 5.136 3.589 5.407 . 0 0 "[ . 1 . 2]" 1
49 1 10 ARG HG3 1 11 GLY H 4.000 . 5.000 4.289 3.309 5.063 0.063 19 0 "[ . 1 . 2]" 1
50 1 10 ARG HG2 1 11 GLY H 4.000 . 5.000 4.268 3.548 5.011 0.011 12 0 "[ . 1 . 2]" 1
51 1 11 GLY HA3 1 12 ARG H 5.000 . 5.000 3.166 2.901 3.416 . 0 0 "[ . 1 . 2]" 1
52 1 11 GLY HA2 1 12 ARG H 5.000 . 5.000 2.235 2.193 2.360 . 0 0 "[ . 1 . 2]" 1
53 1 10 ARG HA 1 11 GLY H 2.500 . 5.000 2.982 2.284 3.526 . 0 0 "[ . 1 . 2]" 1
54 1 10 ARG H 1 11 GLY H 4.000 . 5.000 2.677 1.899 4.029 . 0 0 "[ . 1 . 2]" 1
55 1 11 GLY H 1 12 ARG H 4.000 . 5.000 4.191 3.383 4.508 . 0 0 "[ . 1 . 2]" 1
56 1 11 GLY H 1 12 ARG HA 4.000 . 5.000 4.700 4.366 5.110 0.110 19 0 "[ . 1 . 2]" 1
57 1 12 ARG HG3 1 13 GLU H 5.000 . 5.000 4.749 4.366 4.985 . 0 0 "[ . 1 . 2]" 1
58 1 12 ARG HG2 1 13 GLU HA 4.000 . 5.000 4.617 4.001 5.007 0.007 10 0 "[ . 1 . 2]" 1
59 1 12 ARG HG2 1 13 GLU H 4.000 . 5.000 4.346 3.787 4.824 . 0 0 "[ . 1 . 2]" 1
60 1 13 GLU HA 1 14 ARG H 3.300 . 5.000 3.567 3.544 3.592 . 0 0 "[ . 1 . 2]" 1
61 1 13 GLU QB 1 14 ARG H 3.300 . 6.000 2.529 2.185 2.747 . 0 0 "[ . 1 . 2]" 1
62 1 12 ARG HA 1 13 GLU H 3.300 . 5.000 3.546 3.424 3.593 . 0 0 "[ . 1 . 2]" 1
63 1 12 ARG H 1 13 GLU H 3.300 . 5.000 2.606 2.335 3.046 . 0 0 "[ . 1 . 2]" 1
64 1 13 GLU H 1 14 ARG H 3.300 . 5.000 2.842 2.542 2.999 . 0 0 "[ . 1 . 2]" 1
65 1 14 ARG H 1 15 PHE HA 4.000 . 5.000 5.089 5.050 5.145 0.145 14 0 "[ . 1 . 2]" 1
66 1 14 ARG H 1 15 PHE QB 4.000 . 6.000 4.050 4.028 4.082 . 0 0 "[ . 1 . 2]" 1
67 1 14 ARG H 1 15 PHE H 3.300 . 5.000 2.414 2.368 2.508 . 0 0 "[ . 1 . 2]" 1
68 1 15 PHE HA 1 16 GLU H 5.000 . 5.000 3.581 3.565 3.596 . 0 0 "[ . 1 . 2]" 1
69 1 15 PHE QE 1 16 GLU HA 5.000 . 7.000 4.571 3.419 5.424 . 0 0 "[ . 1 . 2]" 1
70 1 14 ARG HA 1 15 PHE H 3.300 . 5.000 3.562 3.540 3.577 . 0 0 "[ . 1 . 2]" 1
71 1 15 PHE H 1 16 GLU H 3.300 . 5.000 2.880 2.804 2.993 . 0 0 "[ . 1 . 2]" 1
72 1 16 GLU HA 1 17 GLN H 4.000 . 5.000 3.553 3.512 3.567 . 0 0 "[ . 1 . 2]" 1
73 1 15 PHE QB 1 16 GLU H 3.300 . 6.000 2.318 2.208 2.437 . 0 0 "[ . 1 . 2]" 1
74 1 15 PHE QD 1 16 GLU H 3.300 . 7.000 3.239 2.352 3.969 . 0 0 "[ . 1 . 2]" 1
75 1 16 GLU H 1 17 GLN H 3.300 . 5.000 2.884 2.834 2.938 . 0 0 "[ . 1 . 2]" 1
76 1 17 GLN HA 1 18 PHE H 3.300 . 5.000 3.582 3.570 3.592 . 0 0 "[ . 1 . 2]" 1
77 1 17 GLN HB3 1 18 PHE H 3.300 . 5.000 3.283 2.699 3.677 . 0 0 "[ . 1 . 2]" 1
78 1 17 GLN HB2 1 18 PHE H 3.300 . 5.000 2.530 2.231 3.020 . 0 0 "[ . 1 . 2]" 1
79 1 17 GLN H 1 18 PHE QD 4.000 . 7.000 4.139 3.500 5.084 . 0 0 "[ . 1 . 2]" 1
80 1 18 PHE HA 1 19 ARG H 4.000 . 5.000 3.598 3.586 3.607 . 0 0 "[ . 1 . 2]" 1
81 1 19 ARG H 1 20 GLU H 2.500 . 5.000 3.177 2.993 3.312 . 0 0 "[ . 1 . 2]" 1
82 1 20 GLU HA 1 21 ARG H 4.000 . 5.000 3.574 3.547 3.598 . 0 0 "[ . 1 . 2]" 1
83 1 20 GLU QB 1 21 ARG H 3.300 . 6.000 2.417 2.240 2.639 . 0 0 "[ . 1 . 2]" 1
84 1 19 ARG HA 1 20 GLU H 3.300 . 5.000 3.589 3.575 3.599 . 0 0 "[ . 1 . 2]" 1
85 1 20 GLU H 1 21 ARG H 3.300 . 5.000 2.906 2.799 3.069 . 0 0 "[ . 1 . 2]" 1
86 1 21 ARG HA 1 22 ASN H 3.300 . 5.000 3.575 3.553 3.590 . 0 0 "[ . 1 . 2]" 1
87 1 21 ARG H 1 22 ASN H 2.500 . 5.000 2.729 2.623 2.845 . 0 0 "[ . 1 . 2]" 1
88 1 23 GLU HA 1 24 ALA H 3.300 . 5.000 3.582 3.561 3.592 . 0 0 "[ . 1 . 2]" 1
89 1 24 ALA HA 1 25 LEU H 5.000 . 5.000 3.579 3.536 3.591 . 0 0 "[ . 1 . 2]" 1
90 1 23 GLU H 1 24 ALA H 3.300 . 5.000 2.790 2.532 2.963 . 0 0 "[ . 1 . 2]" 1
91 1 25 LEU HA 1 26 GLU H 5.000 . 5.000 3.571 3.529 3.593 . 0 0 "[ . 1 . 2]" 1
92 1 24 ALA MB 1 25 LEU HB2 5.000 . 6.500 3.981 3.547 4.279 . 0 0 "[ . 1 . 2]" 1
93 1 24 ALA MB 1 25 LEU MD2 2.500 . 8.000 3.687 2.316 5.393 . 0 0 "[ . 1 . 2]" 1
94 1 24 ALA MB 1 25 LEU MD1 3.300 . 8.000 4.788 4.183 5.388 . 0 0 "[ . 1 . 2]" 1
95 1 25 LEU H 1 26 GLU H 3.300 . 5.000 2.797 2.633 3.016 . 0 0 "[ . 1 . 2]" 1
96 1 26 GLU HA 1 27 LEU H 3.300 . 5.000 3.581 3.548 3.592 . 0 0 "[ . 1 . 2]" 1
97 1 26 GLU H 1 27 LEU H 3.300 . 5.000 2.913 2.822 3.059 . 0 0 "[ . 1 . 2]" 1
98 1 27 LEU HA 1 28 LYS H 3.300 . 5.000 3.540 3.496 3.582 . 0 0 "[ . 1 . 2]" 1
99 1 27 LEU H 1 28 LYS H 2.500 . 5.000 2.564 2.476 2.711 . 0 0 "[ . 1 . 2]" 1
100 1 28 LYS HA 1 29 ASP H 3.300 . 5.000 3.565 3.525 3.591 . 0 0 "[ . 1 . 2]" 1
101 1 27 LEU H 1 28 LYS QB 5.000 . 6.000 4.164 4.083 4.253 . 0 0 "[ . 1 . 2]" 1
102 1 28 LYS QB 1 29 ASP H 5.000 . 6.000 2.562 2.319 2.773 . 0 0 "[ . 1 . 2]" 1
103 1 28 LYS QD 1 29 ASP H 4.000 . 6.000 4.079 3.534 4.579 . 0 0 "[ . 1 . 2]" 1
104 1 28 LYS H 1 29 ASP H 2.500 . 5.000 2.781 2.456 3.046 . 0 0 "[ . 1 . 2]" 1
105 1 29 ASP HA 1 30 ALA H 3.300 . 5.000 3.568 3.515 3.592 . 0 0 "[ . 1 . 2]" 1
106 1 29 ASP H 1 30 ALA H 2.500 . 5.000 2.607 2.404 2.891 . 0 0 "[ . 1 . 2]" 1
107 1 30 ALA HA 1 31 GLN H 5.000 . 5.000 3.435 3.252 3.538 . 0 0 "[ . 1 . 2]" 1
108 1 30 ALA MB 1 31 GLN H 2.500 . 6.500 2.981 2.626 3.338 . 0 0 "[ . 1 . 2]" 1
109 1 29 ASP HB3 1 30 ALA H 2.500 . 5.000 2.857 2.341 3.414 . 0 0 "[ . 1 . 2]" 1
110 1 29 ASP HB2 1 30 ALA H 2.500 . 5.000 2.971 2.606 3.295 . 0 0 "[ . 1 . 2]" 1
111 1 30 ALA H 1 31 GLN H 3.300 . 5.000 2.708 2.553 2.917 . 0 0 "[ . 1 . 2]" 1
112 1 31 GLN HA 1 32 ALA H 2.500 . 5.000 3.210 2.223 3.592 . 0 0 "[ . 1 . 2]" 1
113 1 31 GLN QB 1 32 ALA HA 5.000 . 6.000 4.275 3.766 5.146 . 0 0 "[ . 1 . 2]" 1
114 1 32 ALA HA 1 33 GLY H 5.000 . 5.000 2.987 2.312 3.587 . 0 0 "[ . 1 . 2]" 1
115 1 32 ALA MB 1 33 GLY H 3.300 . 6.500 3.182 1.853 3.736 . 0 0 "[ . 1 . 2]" 1
116 1 31 GLN QB 1 32 ALA H 2.500 . 6.000 2.643 1.907 3.708 . 0 0 "[ . 1 . 2]" 1
117 1 32 ALA H 1 33 GLY H 4.000 . 5.000 3.192 2.184 4.670 . 0 0 "[ . 1 . 2]" 1
118 1 16 GLU HA 1 19 ARG HB3 3.300 . 5.000 2.733 2.341 2.999 . 0 0 "[ . 1 . 2]" 1
119 1 16 GLU HA 1 19 ARG HB2 3.300 . 5.000 3.535 3.109 3.839 . 0 0 "[ . 1 . 2]" 1
120 1 15 PHE QE 1 19 ARG HD3 6.000 . 7.000 2.612 1.935 4.834 . 0 0 "[ . 1 . 2]" 1
121 1 15 PHE HZ 1 19 ARG HD3 . . 5.000 3.106 1.941 5.605 0.605 2 1 "[ + . 1 . 2]" 1
122 1 15 PHE QE 1 19 ARG HD2 6.000 . 7.000 3.186 1.873 4.727 . 0 0 "[ . 1 . 2]" 1
123 1 15 PHE HZ 1 19 ARG HD2 . . 5.000 3.082 1.872 4.282 . 0 0 "[ . 1 . 2]" 1
124 1 15 PHE HZ 1 19 ARG H 5.000 . 5.000 5.031 5.005 5.056 0.056 15 0 "[ . 1 . 2]" 1
125 1 25 LEU MD2 1 28 LYS H 3.300 . 6.500 4.616 4.032 4.942 . 0 0 "[ . 1 . 2]" 1
126 1 22 ASN HA 1 25 LEU MD1 3.300 . 6.500 4.565 2.709 5.469 . 0 0 "[ . 1 . 2]" 1
127 1 6 THR HB 1 8 GLN QG 5.000 . 6.000 5.137 4.828 5.422 . 0 0 "[ . 1 . 2]" 1
128 1 9 ILE MG 1 11 GLY H 3.300 . 6.500 2.148 1.758 3.287 . 0 0 "[ . 1 . 2]" 1
129 1 12 ARG HA 1 15 PHE QB 3.300 . 6.000 2.114 1.836 2.425 . 0 0 "[ . 1 . 2]" 1
130 1 12 ARG HA 1 15 PHE H 5.000 . 5.000 3.329 3.041 3.498 . 0 0 "[ . 1 . 2]" 1
131 1 12 ARG HG3 1 15 PHE QE 5.000 . 7.000 5.183 4.380 5.681 . 0 0 "[ . 1 . 2]" 1
132 1 12 ARG HG3 1 16 GLU HG3 3.300 . 5.000 4.167 2.655 4.887 . 0 0 "[ . 1 . 2]" 1
133 1 12 ARG HG3 1 16 GLU HG2 5.000 . 5.000 3.699 1.904 4.863 . 0 0 "[ . 1 . 2]" 1
134 1 12 ARG HG2 1 16 GLU HG3 3.300 . 5.000 3.262 2.262 4.953 . 0 0 "[ . 1 . 2]" 1
135 1 12 ARG HG2 1 16 GLU HG2 5.000 . 5.000 3.337 2.643 4.793 . 0 0 "[ . 1 . 2]" 1
136 1 12 ARG H 1 14 ARG H 4.000 . 5.000 4.299 3.982 4.843 . 0 0 "[ . 1 . 2]" 1
137 1 12 ARG H 1 15 PHE QB 4.000 . 6.000 4.358 3.928 4.629 . 0 0 "[ . 1 . 2]" 1
138 1 12 ARG H 1 15 PHE H 5.000 . 5.000 4.674 4.454 4.910 . 0 0 "[ . 1 . 2]" 1
139 1 13 GLU HA 1 16 GLU QB 3.300 . 6.000 3.399 2.942 4.154 . 0 0 "[ . 1 . 2]" 1
140 1 13 GLU QB 1 16 GLU H 3.300 . 6.000 5.308 5.194 5.423 . 0 0 "[ . 1 . 2]" 1
141 1 11 GLY HA3 1 13 GLU H 4.000 . 5.000 3.921 3.422 4.484 . 0 0 "[ . 1 . 2]" 1
142 1 13 GLU H 1 15 PHE H 5.000 . 5.000 4.180 3.825 4.549 . 0 0 "[ . 1 . 2]" 1
143 1 14 ARG HA 1 17 GLN HB3 3.300 . 5.000 4.540 4.128 4.808 . 0 0 "[ . 1 . 2]" 1
144 1 14 ARG HA 1 17 GLN HB2 3.300 . 5.000 3.167 2.629 3.532 . 0 0 "[ . 1 . 2]" 1
145 1 14 ARG HA 1 17 GLN H 3.300 . 5.000 3.524 3.372 3.747 . 0 0 "[ . 1 . 2]" 1
146 1 12 ARG HA 1 14 ARG H 4.000 . 5.000 4.293 3.966 4.713 . 0 0 "[ . 1 . 2]" 1
147 1 14 ARG H 1 17 GLN H 4.000 . 5.000 5.045 4.880 5.106 0.106 18 0 "[ . 1 . 2]" 1
148 1 15 PHE HA 1 18 PHE HB3 3.300 . 5.000 4.270 4.081 4.428 . 0 0 "[ . 1 . 2]" 1
149 1 15 PHE HA 1 18 PHE HB2 3.300 . 5.000 2.627 2.432 2.800 . 0 0 "[ . 1 . 2]" 1
150 1 15 PHE HA 1 18 PHE QD 3.300 . 7.000 2.422 1.868 3.264 . 0 0 "[ . 1 . 2]" 1
151 1 15 PHE HA 1 18 PHE H 4.000 . 5.000 3.161 3.033 3.266 . 0 0 "[ . 1 . 2]" 1
152 1 11 GLY H 1 15 PHE QB 5.000 . 6.000 3.773 2.945 4.613 . 0 0 "[ . 1 . 2]" 1
153 1 15 PHE QE 1 19 ARG HG3 5.000 . 7.000 4.310 3.041 4.941 . 0 0 "[ . 1 . 2]" 1
154 1 15 PHE QE 1 19 ARG HG2 5.000 . 7.000 3.712 2.748 4.978 . 0 0 "[ . 1 . 2]" 1
155 1 16 GLU HA 1 18 PHE H 4.000 . 5.000 4.677 4.401 4.857 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLU HA 1 19 ARG H 4.000 . 5.000 3.883 3.557 4.124 . 0 0 "[ . 1 . 2]" 1
157 1 13 GLU HA 1 16 GLU HG3 5.000 . 5.000 3.438 2.857 4.460 . 0 0 "[ . 1 . 2]" 1
158 1 13 GLU HA 1 16 GLU HG2 5.000 . 5.000 4.640 2.734 5.004 0.004 5 0 "[ . 1 . 2]" 1
159 1 12 ARG HA 1 16 GLU H 4.000 . 5.000 3.476 2.870 4.080 . 0 0 "[ . 1 . 2]" 1
160 1 13 GLU HA 1 16 GLU H 3.300 . 5.000 4.176 3.947 4.461 . 0 0 "[ . 1 . 2]" 1
161 1 14 ARG H 1 16 GLU H 4.000 . 5.000 4.166 3.956 4.428 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLU H 1 19 ARG H 5.000 . 5.000 4.809 4.633 4.998 . 0 0 "[ . 1 . 2]" 1
163 1 17 GLN HA 1 20 GLU QB 3.300 . 6.000 3.239 2.794 3.567 . 0 0 "[ . 1 . 2]" 1
164 1 14 ARG HA 1 17 GLN HG3 5.000 . 5.000 3.221 2.003 5.064 0.064 19 0 "[ . 1 . 2]" 1
165 1 14 ARG HA 1 17 GLN HG2 5.000 . 5.000 4.111 2.981 4.988 . 0 0 "[ . 1 . 2]" 1
166 1 15 PHE H 1 17 GLN H 4.000 . 5.000 4.194 3.974 4.334 . 0 0 "[ . 1 . 2]" 1
167 1 17 GLN H 1 19 ARG H 4.000 . 5.000 4.352 3.991 4.506 . 0 0 "[ . 1 . 2]" 1
168 1 18 PHE HA 1 21 ARG QB 3.300 . 6.000 2.372 2.116 2.886 . 0 0 "[ . 1 . 2]" 1
169 1 18 PHE HA 1 21 ARG HG3 4.000 . 5.000 4.537 3.004 5.036 0.036 14 0 "[ . 1 . 2]" 1
170 1 18 PHE HA 1 21 ARG HG2 3.300 . 5.000 4.054 3.519 4.666 . 0 0 "[ . 1 . 2]" 1
171 1 18 PHE HA 1 21 ARG H 3.300 . 5.000 3.515 3.347 3.707 . 0 0 "[ . 1 . 2]" 1
172 1 18 PHE HA 1 22 ASN H 4.000 . 5.000 3.914 3.539 4.423 . 0 0 "[ . 1 . 2]" 1
173 1 19 ARG HA 1 22 ASN HB3 4.000 . 5.000 2.990 2.543 3.551 . 0 0 "[ . 1 . 2]" 1
174 1 19 ARG HA 1 22 ASN HB2 3.300 . 5.000 2.859 2.225 3.620 . 0 0 "[ . 1 . 2]" 1
175 1 19 ARG HA 1 22 ASN H 3.300 . 5.000 3.444 3.305 3.616 . 0 0 "[ . 1 . 2]" 1
176 1 19 ARG H 1 21 ARG H 4.000 . 5.000 4.266 4.051 4.633 . 0 0 "[ . 1 . 2]" 1
177 1 20 GLU HA 1 23 GLU QB 2.500 . 6.000 3.255 2.989 3.408 . 0 0 "[ . 1 . 2]" 1
178 1 20 GLU HA 1 23 GLU H 3.300 . 5.000 3.765 3.605 3.927 . 0 0 "[ . 1 . 2]" 1
179 1 16 GLU HA 1 20 GLU H 3.300 . 5.000 3.689 3.283 3.982 . 0 0 "[ . 1 . 2]" 1
180 1 17 GLN HA 1 20 GLU H 3.300 . 5.000 4.282 3.932 4.480 . 0 0 "[ . 1 . 2]" 1
181 1 20 GLU H 1 23 GLU QB 2.500 . 6.000 5.343 5.168 5.431 . 0 0 "[ . 1 . 2]" 1
182 1 21 ARG HA 1 24 ALA MB 3.300 . 6.500 2.361 2.050 2.613 . 0 0 "[ . 1 . 2]" 1
183 1 21 ARG HA 1 24 ALA H 4.000 . 5.000 3.294 3.138 3.466 . 0 0 "[ . 1 . 2]" 1
184 1 21 ARG HA 1 25 LEU H 5.000 . 5.000 3.689 3.045 4.419 . 0 0 "[ . 1 . 2]" 1
185 1 18 PHE QD 1 21 ARG QD 5.000 . 8.000 5.078 2.924 6.225 . 0 0 "[ . 1 . 2]" 1
186 1 19 ARG HA 1 21 ARG H 5.000 . 5.000 4.508 4.266 4.728 . 0 0 "[ . 1 . 2]" 1
187 1 23 GLU HA 1 26 GLU QB 2.500 . 6.000 2.663 2.257 3.188 . 0 0 "[ . 1 . 2]" 1
188 1 23 GLU HA 1 26 GLU H 3.300 . 5.000 3.609 3.409 3.777 . 0 0 "[ . 1 . 2]" 1
189 1 24 ALA HA 1 27 LEU QB 5.000 . 6.000 3.117 2.532 3.622 . 0 0 "[ . 1 . 2]" 1
190 1 24 ALA HA 1 27 LEU H 5.000 . 5.000 3.648 3.403 3.886 . 0 0 "[ . 1 . 2]" 1
191 1 21 ARG H 1 24 ALA H 4.000 . 5.000 4.909 4.673 5.007 0.007 13 0 "[ . 1 . 2]" 1
192 1 22 ASN HA 1 24 ALA H 4.000 . 5.000 4.746 4.325 4.998 . 0 0 "[ . 1 . 2]" 1
193 1 24 ALA H 1 26 GLU H 4.000 . 5.000 4.220 3.888 4.713 . 0 0 "[ . 1 . 2]" 1
194 1 25 LEU HA 1 28 LYS QB 3.300 . 6.000 2.014 1.856 2.240 . 0 0 "[ . 1 . 2]" 1
195 1 25 LEU HA 1 28 LYS H 5.000 . 5.000 3.189 3.041 3.437 . 0 0 "[ . 1 . 2]" 1
196 1 22 ASN HA 1 25 LEU MD2 3.300 . 6.500 4.288 3.622 5.407 . 0 0 "[ . 1 . 2]" 1
197 1 22 ASN HA 1 25 LEU H 3.300 . 5.000 3.735 3.369 4.088 . 0 0 "[ . 1 . 2]" 1
198 1 23 GLU H 1 25 LEU H 5.000 . 5.000 4.262 3.958 4.504 . 0 0 "[ . 1 . 2]" 1
199 1 25 LEU H 1 27 LEU H 4.000 . 5.000 4.434 3.996 4.600 . 0 0 "[ . 1 . 2]" 1
200 1 26 GLU HA 1 29 ASP HB3 3.300 . 5.000 4.486 3.397 5.002 0.002 8 0 "[ . 1 . 2]" 1
201 1 26 GLU HA 1 29 ASP H 3.300 . 5.000 3.885 3.595 4.244 . 0 0 "[ . 1 . 2]" 1
202 1 22 ASN HA 1 26 GLU H 4.000 . 5.000 4.050 3.493 4.676 . 0 0 "[ . 1 . 2]" 1
203 1 26 GLU H 1 28 LYS H 4.000 . 5.000 4.041 3.794 4.373 . 0 0 "[ . 1 . 2]" 1
204 1 27 LEU HA 1 30 ALA MB 2.500 . 6.500 2.446 1.947 3.070 . 0 0 "[ . 1 . 2]" 1
205 1 27 LEU HA 1 30 ALA H 4.000 . 5.000 3.456 3.040 4.168 . 0 0 "[ . 1 . 2]" 1
206 1 23 GLU HA 1 27 LEU H 4.000 . 5.000 4.535 4.339 4.725 . 0 0 "[ . 1 . 2]" 1
207 1 27 LEU H 1 29 ASP H 4.000 . 5.000 4.327 3.871 4.764 . 0 0 "[ . 1 . 2]" 1
208 1 28 LYS HA 1 31 GLN QB 3.300 . 6.000 3.201 2.338 4.789 . 0 0 "[ . 1 . 2]" 1
209 1 29 ASP HA 1 32 ALA MB 3.300 . 6.500 4.467 3.036 5.337 . 0 0 "[ . 1 . 2]" 1
210 1 26 GLU HA 1 29 ASP HB2 5.000 . 5.000 3.473 2.790 4.208 . 0 0 "[ . 1 . 2]" 1
211 1 27 LEU HA 1 29 ASP H 3.300 . 5.000 4.369 3.955 4.882 . 0 0 "[ . 1 . 2]" 1
212 1 27 LEU H 1 30 ALA MB 4.000 . 6.500 4.589 4.066 4.971 . 0 0 "[ . 1 . 2]" 1
213 1 28 LYS H 1 30 ALA MB 4.000 . 6.500 4.725 4.265 5.164 . 0 0 "[ . 1 . 2]" 1
214 1 28 LYS H 1 30 ALA H 4.000 . 5.000 4.264 3.797 4.756 . 0 0 "[ . 1 . 2]" 1
215 1 28 LYS HA 1 31 GLN H 2.500 . 5.000 3.874 3.578 4.188 . 0 0 "[ . 1 . 2]" 1
216 1 29 ASP HA 1 31 GLN H 4.000 . 5.000 3.766 3.536 4.048 . 0 0 "[ . 1 . 2]" 1
217 1 29 ASP HB2 1 31 GLN H 5.000 . 5.000 4.932 4.605 5.031 0.031 8 0 "[ . 1 . 2]" 1
218 1 31 GLN H 1 33 GLY QA 5.000 . 6.000 4.995 4.359 5.424 . 0 0 "[ . 1 . 2]" 1
219 1 9 ILE MD 1 18 PHE HB3 6.000 . 6.500 3.389 2.273 4.067 . 0 0 "[ . 1 . 2]" 1
220 1 18 PHE HB3 2 7 LEU MD1 6.000 . 6.500 2.888 1.812 4.323 . 0 0 "[ . 1 . 2]" 1
221 1 9 ILE MD 1 18 PHE HB2 6.000 . 6.500 3.096 1.957 3.904 . 0 0 "[ . 1 . 2]" 1
222 1 9 ILE MD 1 18 PHE QD 6.000 . 8.500 2.736 1.801 3.563 . 0 0 "[ . 1 . 2]" 1
223 1 18 PHE QD 2 7 LEU MD1 6.000 . 8.500 4.301 3.409 5.534 . 0 0 "[ . 1 . 2]" 1
224 1 18 PHE QD 2 25 LEU MD1 6.000 . 8.500 4.130 3.068 5.236 . 0 0 "[ . 1 . 2]" 1
225 1 18 PHE QD 2 22 ASN HA 6.000 . 7.000 4.477 3.780 5.105 . 0 0 "[ . 1 . 2]" 1
226 1 9 ILE MD 1 18 PHE QE 6.000 . 8.500 3.725 2.741 4.609 . 0 0 "[ . 1 . 2]" 1
227 1 18 PHE QE 2 25 LEU MD1 6.000 . 8.500 2.941 1.835 4.263 . 0 0 "[ . 1 . 2]" 1
228 1 18 PHE QE 2 21 ARG QB 6.000 . 8.000 2.022 1.737 2.371 . 0 0 "[ . 1 . 2]" 1
229 1 18 PHE HZ 2 25 LEU MD1 6.000 . 6.500 3.690 2.536 4.278 . 0 0 "[ . 1 . 2]" 1
230 1 18 PHE HZ 2 21 ARG QB 6.000 . 6.000 2.915 2.172 3.948 . 0 0 "[ . 1 . 2]" 1
231 1 18 PHE HZ 2 22 ASN HB2 . . 5.000 3.931 3.445 4.294 . 0 0 "[ . 1 . 2]" 1
232 1 18 PHE HZ 2 22 ASN HA . . 5.000 1.968 1.837 2.581 . 0 0 "[ . 1 . 2]" 1
233 1 19 ARG HA 2 7 LEU MD2 3.300 . 6.500 3.289 2.643 5.077 . 0 0 "[ . 1 . 2]" 1
234 1 19 ARG HA 2 7 LEU MD1 3.300 . 6.500 2.303 1.934 2.917 . 0 0 "[ . 1 . 2]" 1
235 1 25 LEU MD1 2 14 ARG HA 6.000 . 6.500 2.819 1.847 4.366 . 0 0 "[ . 1 . 2]" 1
236 1 4 TYR QD 2 8 GLN HB3 5.000 . 7.000 3.798 3.336 4.580 . 0 0 "[ . 1 . 2]" 1
237 1 4 TYR QD 2 8 GLN HB2 5.000 . 7.000 5.312 4.717 6.056 . 0 0 "[ . 1 . 2]" 1
238 1 5 PHE QE 2 12 ARG HD2 5.000 . 7.000 3.318 2.507 4.517 . 0 0 "[ . 1 . 2]" 1
239 1 5 PHE H 2 9 ILE H 4.000 . 5.000 3.416 3.043 3.975 . 0 0 "[ . 1 . 2]" 1
240 1 5 PHE HZ 2 12 ARG HA 5.000 . 5.000 4.124 3.060 4.840 . 0 0 "[ . 1 . 2]" 1
241 1 5 PHE HZ 2 12 ARG HB3 5.000 . 5.000 4.552 3.750 4.997 . 0 0 "[ . 1 . 2]" 1
242 1 5 PHE HZ 2 12 ARG HB2 5.000 . 5.000 2.951 2.076 3.447 . 0 0 "[ . 1 . 2]" 1
243 1 5 PHE HZ 2 12 ARG QD 5.000 . 6.000 2.384 1.862 4.129 . 0 0 "[ . 1 . 2]" 1
244 1 5 PHE HZ 2 12 ARG HD3 5.000 . 5.000 3.508 2.131 4.763 . 0 0 "[ . 1 . 2]" 1
245 1 5 PHE HZ 2 12 ARG HD2 5.000 . 5.000 2.622 1.871 4.528 . 0 0 "[ . 1 . 2]" 1
246 1 5 PHE HZ 2 12 ARG HG3 5.000 . 5.000 3.582 2.761 4.883 . 0 0 "[ . 1 . 2]" 1
247 1 5 PHE HZ 2 12 ARG HG2 5.000 . 5.000 4.693 4.336 5.005 0.005 15 0 "[ . 1 . 2]" 1
248 1 6 THR HA 2 9 ILE H 4.000 . 5.000 2.709 2.103 3.454 . 0 0 "[ . 1 . 2]" 1
249 1 6 THR MG 2 8 GLN HE21 3.300 . 6.500 3.795 2.086 5.000 . 0 0 "[ . 1 . 2]" 1
250 1 6 THR MG 2 8 GLN HE22 3.300 . 6.500 4.372 2.916 5.206 . 0 0 "[ . 1 . 2]" 1
251 1 6 THR MG 2 8 GLN QG 2.500 . 7.500 3.188 1.972 5.197 . 0 0 "[ . 1 . 2]" 1
252 1 6 THR MG 2 9 ILE H 3.300 . 6.500 4.574 3.464 5.340 . 0 0 "[ . 1 . 2]" 1
253 1 6 THR H 2 15 PHE QE 4.000 . 7.000 3.507 2.444 4.584 . 0 0 "[ . 1 . 2]" 1
254 1 7 LEU HB3 2 7 LEU HB2 5.000 . 5.000 3.735 2.505 4.876 . 0 0 "[ . 1 . 2]" 1
255 1 7 LEU HB3 2 9 ILE MD 5.000 . 6.500 4.110 3.064 4.973 . 0 0 "[ . 1 . 2]" 1
256 1 7 LEU HB3 2 15 PHE QE 5.000 . 7.000 4.509 3.855 5.227 . 0 0 "[ . 1 . 2]" 1
257 1 7 LEU HB2 2 7 LEU HB3 5.000 . 5.000 3.729 2.494 4.894 . 0 0 "[ . 1 . 2]" 1
258 1 7 LEU HB2 2 7 LEU HB2 5.000 . 5.000 4.415 3.351 5.009 0.009 2 0 "[ . 1 . 2]" 1
259 1 7 LEU HB2 2 9 ILE MD 5.000 . 6.500 3.129 2.214 4.704 . 0 0 "[ . 1 . 2]" 1
260 1 7 LEU HB2 2 15 PHE QE 5.000 . 7.000 3.028 2.232 3.648 . 0 0 "[ . 1 . 2]" 1
261 1 7 LEU MD1 2 9 ILE MD 2.500 . 8.000 3.348 2.207 5.004 . 0 0 "[ . 1 . 2]" 1
262 1 7 LEU MD1 2 15 PHE QE 2.500 . 8.500 2.242 1.845 2.863 . 0 0 "[ . 1 . 2]" 1
263 1 7 LEU MD1 2 18 PHE HB3 4.000 . 6.500 2.915 1.976 4.322 . 0 0 "[ . 1 . 2]" 1
264 1 7 LEU MD1 2 19 ARG HD3 3.300 . 6.500 4.020 2.408 5.421 . 0 0 "[ . 1 . 2]" 1
265 1 7 LEU MD1 2 19 ARG HD2 3.300 . 6.500 3.289 1.897 5.063 . 0 0 "[ . 1 . 2]" 1
266 1 7 LEU MD1 2 19 ARG H 3.300 . 6.500 3.203 2.553 4.449 . 0 0 "[ . 1 . 2]" 1
267 1 7 LEU MD1 2 22 ASN HD21 3.300 . 6.500 3.701 2.465 4.760 . 0 0 "[ . 1 . 2]" 1
268 1 7 LEU MD1 2 22 ASN HD22 3.300 . 6.500 4.333 3.008 5.154 . 0 0 "[ . 1 . 2]" 1
269 1 7 LEU MD1 2 22 ASN H 3.300 . 6.500 4.134 3.553 5.293 . 0 0 "[ . 1 . 2]" 1
270 1 7 LEU MD2 2 9 ILE MD 2.500 . 8.000 4.395 3.123 5.559 . 0 0 "[ . 1 . 2]" 1
271 1 7 LEU MD2 1 18 PHE QD 3.300 . 8.500 3.969 2.065 5.815 . 0 0 "[ . 1 . 2]" 1
272 1 7 LEU MD2 1 18 PHE QE 4.000 . 8.500 3.841 1.893 5.745 . 0 0 "[ . 1 . 2]" 1
273 1 7 LEU MD2 2 18 PHE HB3 3.300 . 6.500 3.696 2.109 5.366 . 0 0 "[ . 1 . 2]" 1
274 1 7 LEU MD2 2 19 ARG HA 3.300 . 6.500 3.282 2.623 4.955 . 0 0 "[ . 1 . 2]" 1
275 1 7 LEU MD2 2 22 ASN HB3 3.300 . 6.500 3.538 2.693 4.842 . 0 0 "[ . 1 . 2]" 1
276 1 7 LEU MD2 2 22 ASN HB2 3.300 . 6.500 2.592 1.921 3.677 . 0 0 "[ . 1 . 2]" 1
277 1 7 LEU MD2 2 22 ASN HD22 5.000 . 6.500 3.139 2.253 4.702 . 0 0 "[ . 1 . 2]" 1
278 1 7 LEU MD2 2 22 ASN H 3.300 . 6.500 4.187 3.357 5.181 . 0 0 "[ . 1 . 2]" 1
279 1 7 LEU H 2 7 LEU H 2.500 . 5.000 3.103 2.612 3.761 . 0 0 "[ . 1 . 2]" 1
280 1 7 LEU H 2 9 ILE H 4.000 . 5.000 4.471 3.892 4.808 . 0 0 "[ . 1 . 2]" 1
281 1 7 LEU H 2 15 PHE QE 4.000 . 7.000 4.348 3.794 4.998 . 0 0 "[ . 1 . 2]" 1
282 1 9 ILE HB 2 5 PHE HB2 5.000 . 5.000 2.549 1.855 3.264 . 0 0 "[ . 1 . 2]" 1
283 1 9 ILE MD 2 6 THR HA 3.300 . 6.500 3.491 2.366 5.320 . 0 0 "[ . 1 . 2]" 1
284 1 9 ILE MD 2 7 LEU HB2 2.500 . 6.500 3.138 2.178 4.666 . 0 0 "[ . 1 . 2]" 1
285 1 9 ILE MD 2 7 LEU MD2 2.500 . 8.000 4.414 3.156 5.566 . 0 0 "[ . 1 . 2]" 1
286 1 9 ILE MD 2 7 LEU H 3.300 . 6.500 3.737 3.000 5.219 . 0 0 "[ . 1 . 2]" 1
287 1 9 ILE MD 1 15 PHE HA 2.500 . 6.500 3.066 2.421 3.758 . 0 0 "[ . 1 . 2]" 1
288 1 9 ILE MD 1 15 PHE H 3.300 . 6.500 4.846 4.331 5.330 . 0 0 "[ . 1 . 2]" 1
289 1 9 ILE MD 1 18 PHE H 3.300 . 6.500 4.692 3.662 5.185 . 0 0 "[ . 1 . 2]" 1
290 1 9 ILE MD 2 22 ASN HD21 4.000 . 6.500 3.895 1.853 5.319 . 0 0 "[ . 1 . 2]" 1
291 1 9 ILE MD 2 22 ASN HD22 3.300 . 6.500 4.198 2.406 5.241 . 0 0 "[ . 1 . 2]" 1
292 1 9 ILE MG 2 4 TYR HA 4.000 . 6.500 5.114 4.689 5.296 . 0 0 "[ . 1 . 2]" 1
293 1 9 ILE MG 1 14 ARG H 3.300 . 6.500 4.115 3.685 4.703 . 0 0 "[ . 1 . 2]" 1
294 1 9 ILE MG 1 15 PHE QB 3.300 . 7.500 2.359 1.852 2.993 . 0 0 "[ . 1 . 2]" 1
295 1 9 ILE MG 1 15 PHE H 3.300 . 6.500 2.830 2.344 3.652 . 0 0 "[ . 1 . 2]" 1
296 1 9 ILE MG 1 18 PHE QD 3.300 . 8.500 3.416 2.675 4.148 . 0 0 "[ . 1 . 2]" 1
297 1 9 ILE MG 1 18 PHE QE 3.300 . 8.500 3.510 2.538 4.262 . 0 0 "[ . 1 . 2]" 1
298 1 9 ILE MG 2 22 ASN HA 5.000 . 6.500 5.054 4.554 5.285 . 0 0 "[ . 1 . 2]" 1
299 1 9 ILE H 2 4 TYR QB 5.000 . 6.000 4.513 3.951 5.177 . 0 0 "[ . 1 . 2]" 1
300 1 9 ILE H 2 6 THR HB 4.000 . 5.000 4.870 4.316 5.026 0.026 16 0 "[ . 1 . 2]" 1
301 1 9 ILE H 2 7 LEU H 4.000 . 5.000 4.479 3.920 4.817 . 0 0 "[ . 1 . 2]" 1
302 1 9 ILE H 1 15 PHE QE 4.000 . 7.000 5.108 4.484 5.775 . 0 0 "[ . 1 . 2]" 1
303 1 12 ARG HA 2 5 PHE QE 4.000 . 7.000 3.151 2.068 4.118 . 0 0 "[ . 1 . 2]" 1
304 1 12 ARG HG3 2 5 PHE QE 5.000 . 7.000 3.410 2.468 4.210 . 0 0 "[ . 1 . 2]" 1
305 1 12 ARG HG2 2 5 PHE QE 4.000 . 7.000 4.591 4.107 5.046 . 0 0 "[ . 1 . 2]" 1
306 1 12 ARG H 2 5 PHE QE 3.300 . 7.000 2.905 2.162 3.691 . 0 0 "[ . 1 . 2]" 1
307 1 12 ARG H 2 5 PHE HZ 4.000 . 5.000 4.421 3.232 5.006 0.006 4 0 "[ . 1 . 2]" 1
308 1 14 ARG HA 2 28 LYS HG3 3.300 . 5.000 5.026 5.002 5.056 0.056 20 0 "[ . 1 . 2]" 1
309 1 14 ARG HA 2 28 LYS HG2 3.300 . 5.000 4.704 4.017 5.022 0.022 3 0 "[ . 1 . 2]" 1
310 1 14 ARG H 2 25 LEU MD1 5.000 . 6.500 4.198 3.800 5.136 . 0 0 "[ . 1 . 2]" 1
311 1 9 ILE HB 1 15 PHE HA 3.300 . 5.000 3.958 3.486 4.491 . 0 0 "[ . 1 . 2]" 1
312 1 15 PHE QB 2 5 PHE QB 5.000 . 7.000 2.865 2.106 3.438 . 0 0 "[ . 1 . 2]" 1
313 1 9 ILE HB 1 15 PHE QB 5.000 . 6.000 3.126 2.453 3.851 . 0 0 "[ . 1 . 2]" 1
314 1 15 PHE QE 2 7 LEU HA 5.000 . 7.000 3.970 3.485 4.444 . 0 0 "[ . 1 . 2]" 1
315 1 15 PHE QE 2 7 LEU MD1 5.000 . 8.500 2.275 1.810 2.985 . 0 0 "[ . 1 . 2]" 1
316 1 9 ILE MD 1 15 PHE QE 5.000 . 8.500 3.358 2.498 4.925 . 0 0 "[ . 1 . 2]" 1
317 1 15 PHE HZ 2 7 LEU HA 5.000 . 5.000 4.786 4.343 5.015 0.015 17 0 "[ . 1 . 2]" 1
318 1 18 PHE HA 2 18 PHE HB3 3.300 . 5.000 5.015 4.925 5.058 0.058 3 0 "[ . 1 . 2]" 1
319 1 18 PHE HA 2 18 PHE QD 5.000 . 7.000 3.312 2.726 4.485 . 0 0 "[ . 1 . 2]" 1
320 1 18 PHE HA 2 18 PHE QE 5.000 . 7.000 3.490 2.832 4.684 . 0 0 "[ . 1 . 2]" 1
321 1 18 PHE QE 2 18 PHE QD 5.000 . 9.000 4.281 2.792 5.600 . 0 0 "[ . 1 . 2]" 1
322 1 18 PHE QE 2 18 PHE QE 5.000 . 9.000 6.013 4.300 6.851 . 0 0 "[ . 1 . 2]" 1
323 1 21 ARG QB 2 18 PHE HZ 4.000 . 6.000 2.908 2.176 3.984 . 0 0 "[ . 1 . 2]" 1
324 1 21 ARG QD 2 18 PHE QE 5.000 . 8.000 4.017 3.057 4.690 . 0 0 "[ . 1 . 2]" 1
325 1 21 ARG QD 2 18 PHE HZ 5.000 . 6.000 4.798 3.792 5.402 . 0 0 "[ . 1 . 2]" 1
326 1 21 ARG HG3 2 18 PHE HZ 5.000 . 5.000 4.021 2.213 5.034 0.034 10 0 "[ . 1 . 2]" 1
327 1 21 ARG HG2 2 18 PHE HZ 5.000 . 5.000 4.342 3.295 5.077 0.077 10 0 "[ . 1 . 2]" 1
328 1 24 ALA H 2 18 PHE HZ 5.000 . 5.000 4.968 4.682 5.040 0.040 17 0 "[ . 1 . 2]" 1
329 1 25 LEU MD2 2 18 PHE HZ 3.300 . 6.500 3.532 2.193 4.676 . 0 0 "[ . 1 . 2]" 1
330 1 25 LEU MD1 2 18 PHE QD 3.300 . 8.500 4.173 3.213 5.232 . 0 0 "[ . 1 . 2]" 1
331 1 25 LEU MD1 2 18 PHE QE 3.300 . 8.500 2.976 1.958 4.254 . 0 0 "[ . 1 . 2]" 1
332 1 25 LEU MD1 2 18 PHE HZ 2.500 . 6.500 3.680 2.539 4.257 . 0 0 "[ . 1 . 2]" 1
333 1 25 LEU H 2 18 PHE HZ 4.000 . 5.000 3.257 3.033 3.559 . 0 0 "[ . 1 . 2]" 1
334 1 18 PHE H 1 18 PHE QD 3.300 . 7.000 2.388 1.870 3.151 . 0 0 "[ . 1 . 2]" 1
335 1 18 PHE H 1 18 PHE QE 5.000 . 7.000 4.163 3.927 4.611 . 0 0 "[ . 1 . 2]" 1
336 1 7 LEU H 1 7 LEU HB3 4.000 . 5.000 3.176 2.639 3.589 . 0 0 "[ . 1 . 2]" 1
337 1 7 LEU H 1 7 LEU HB2 3.300 . 5.000 2.612 2.293 2.999 . 0 0 "[ . 1 . 2]" 1
338 1 10 ARG H 1 10 ARG HB3 4.000 . 5.000 2.877 2.394 3.666 . 0 0 "[ . 1 . 2]" 1
339 1 10 ARG H 1 10 ARG HB2 4.000 . 5.000 3.338 2.467 3.896 . 0 0 "[ . 1 . 2]" 1
340 1 4 TYR H 1 4 TYR QD 2.500 . 6.000 2.966 2.241 4.375 . 0 0 "[ . 1 . 2]" 1
341 1 5 PHE H 1 5 PHE HB3 3.300 . 5.000 3.742 3.599 3.891 . 0 0 "[ . 1 . 2]" 1
342 1 5 PHE H 1 5 PHE HB2 3.300 . 5.000 2.588 2.336 2.859 . 0 0 "[ . 1 . 2]" 1
343 1 6 THR HA 1 6 THR MG 2.500 . 6.500 2.701 2.157 3.193 . 0 0 "[ . 1 . 2]" 1
344 1 6 THR H 1 6 THR MG 3.300 . 6.500 3.192 1.908 3.985 . 0 0 "[ . 1 . 2]" 1
345 1 7 LEU H 1 7 LEU MD1 3.300 . 6.500 4.154 3.814 4.462 . 0 0 "[ . 1 . 2]" 1
346 1 7 LEU HA 1 7 LEU MD1 2.500 . 6.500 3.079 1.943 3.716 . 0 0 "[ . 1 . 2]" 1
347 1 9 ILE H 1 9 ILE MG 3.300 . 6.500 3.808 3.710 3.872 . 0 0 "[ . 1 . 2]" 1
348 1 9 ILE HA 1 9 ILE MD 3.300 . 6.500 3.373 1.926 3.802 . 0 0 "[ . 1 . 2]" 1
349 1 10 ARG H 1 10 ARG HG3 4.000 . 5.000 3.463 2.242 4.850 . 0 0 "[ . 1 . 2]" 1
350 1 12 ARG HA 1 12 ARG HG3 3.300 . 5.000 2.195 2.021 2.487 . 0 0 "[ . 1 . 2]" 1
351 1 12 ARG HA 1 12 ARG HG2 3.300 . 5.000 3.104 2.494 3.500 . 0 0 "[ . 1 . 2]" 1
352 1 12 ARG H 1 12 ARG HG2 4.000 . 5.000 4.538 4.341 4.612 . 0 0 "[ . 1 . 2]" 1
353 1 12 ARG H 1 12 ARG HG3 4.000 . 5.000 4.200 3.869 4.433 . 0 0 "[ . 1 . 2]" 1
354 1 13 GLU H 1 13 GLU QB 3.300 . 5.600 2.129 1.925 2.489 . 0 0 "[ . 1 . 2]" 1
355 1 14 ARG H 1 14 ARG HB2 2.500 . 5.000 2.682 2.050 3.556 . 0 0 "[ . 1 . 2]" 1
356 1 15 PHE H 1 15 PHE QD 4.000 . 6.000 4.104 4.046 4.142 . 0 0 "[ . 1 . 2]" 1
357 1 15 PHE H 1 15 PHE QB 2.500 . 5.600 2.171 2.141 2.194 . 0 0 "[ . 1 . 2]" 1
358 1 17 GLN HA 1 17 GLN HB2 2.500 . 5.000 2.996 2.858 3.039 . 0 0 "[ . 1 . 2]" 1
359 1 17 GLN HB3 1 17 GLN HG3 2.500 . 5.000 2.750 2.437 2.985 . 0 0 "[ . 1 . 2]" 1
360 1 19 ARG HA 1 19 ARG HG3 3.300 . 5.000 2.677 2.169 3.183 . 0 0 "[ . 1 . 2]" 1
361 1 20 GLU HA 1 20 GLU QB 2.500 . 6.000 2.427 2.313 2.549 . 0 0 "[ . 1 . 2]" 1
362 1 21 ARG H 1 21 ARG HG3 3.300 . 5.000 3.949 2.922 4.420 . 0 0 "[ . 1 . 2]" 1
363 1 21 ARG HA 1 21 ARG HG3 2.500 . 5.000 2.691 1.929 3.709 . 0 0 "[ . 1 . 2]" 1
364 1 21 ARG HA 1 21 ARG HG2 3.300 . 5.000 3.232 2.227 3.706 . 0 0 "[ . 1 . 2]" 1
365 1 21 ARG H 1 21 ARG HG2 3.300 . 5.000 3.916 2.202 4.574 . 0 0 "[ . 1 . 2]" 1
366 1 25 LEU H 1 25 LEU HG 3.300 . 5.000 4.081 3.294 4.406 . 0 0 "[ . 1 . 2]" 1
367 1 27 LEU HA 1 27 LEU QD 2.500 . 7.000 2.558 1.788 3.114 . 0 0 "[ . 1 . 2]" 1
368 1 27 LEU H 1 27 LEU QD 3.300 . 7.000 3.241 2.052 3.681 . 0 0 "[ . 1 . 2]" 1
369 1 28 LYS HA 1 28 LYS QB 2.500 . 6.000 2.289 2.263 2.328 . 0 0 "[ . 1 . 2]" 1
370 1 28 LYS HA 1 28 LYS QD 3.300 . 7.000 1.985 1.866 2.289 . 0 0 "[ . 1 . 2]" 1
371 1 28 LYS H 1 28 LYS QD 3.300 . 7.000 4.187 4.095 4.460 . 0 0 "[ . 1 . 2]" 1
372 1 29 ASP HA 1 29 ASP HB3 2.500 . 5.000 2.819 2.679 2.966 . 0 0 "[ . 1 . 2]" 1
373 1 31 GLN HA 1 31 GLN HG3 3.300 . 5.000 3.054 2.518 3.640 . 0 0 "[ . 1 . 2]" 1
374 1 31 GLN HA 1 31 GLN HG2 3.300 . 5.000 2.357 1.920 4.149 . 0 0 "[ . 1 . 2]" 1
375 1 14 ARG O 1 18 PHE H 0.000 . 2.300 2.366 2.318 2.408 0.108 3 0 "[ . 1 . 2]" 1
376 1 14 ARG O 1 18 PHE N 0.000 . 3.300 3.288 3.236 3.344 0.044 3 0 "[ . 1 . 2]" 1
377 1 15 PHE O 1 19 ARG H 0.000 . 2.300 1.829 1.621 1.997 . 0 0 "[ . 1 . 2]" 1
378 1 15 PHE O 1 19 ARG N 0.000 . 3.300 2.737 2.532 2.874 . 0 0 "[ . 1 . 2]" 1
379 1 16 GLU O 1 20 GLU H 0.000 . 2.300 2.278 2.163 2.362 0.062 20 0 "[ . 1 . 2]" 1
380 1 16 GLU O 1 20 GLU N 0.000 . 3.300 3.192 3.061 3.322 0.022 20 0 "[ . 1 . 2]" 1
381 1 17 GLN O 1 21 ARG H 0.000 . 2.300 2.248 1.985 2.348 0.048 18 0 "[ . 1 . 2]" 1
382 1 17 GLN O 1 21 ARG N 0.000 . 3.300 3.149 2.861 3.314 0.014 18 0 "[ . 1 . 2]" 1
383 1 18 PHE O 1 22 ASN H 0.000 . 2.300 1.697 1.457 2.091 . 0 0 "[ . 1 . 2]" 1
384 1 18 PHE O 1 22 ASN N 0.000 . 3.300 2.637 2.428 3.035 . 0 0 "[ . 1 . 2]" 1
385 1 19 ARG O 1 23 GLU H 0.000 . 2.300 2.346 2.315 2.386 0.086 10 0 "[ . 1 . 2]" 1
386 1 19 ARG O 1 23 GLU N 0.000 . 3.300 3.271 3.229 3.317 0.017 10 0 "[ . 1 . 2]" 1
387 1 20 GLU O 1 24 ALA H 0.000 . 2.300 2.273 1.982 2.340 0.040 18 0 "[ . 1 . 2]" 1
388 1 20 GLU O 1 24 ALA N 0.000 . 3.300 3.239 2.949 3.305 0.005 18 0 "[ . 1 . 2]" 1
389 1 21 ARG O 1 25 LEU H 0.000 . 2.300 1.708 1.470 2.138 . 0 0 "[ . 1 . 2]" 1
390 1 21 ARG O 1 25 LEU N 0.000 . 3.300 2.652 2.429 3.047 . 0 0 "[ . 1 . 2]" 1
391 1 22 ASN O 1 26 GLU H 0.000 . 2.300 2.021 1.569 2.350 0.050 6 0 "[ . 1 . 2]" 1
392 1 22 ASN O 1 26 GLU N 0.000 . 3.300 2.925 2.477 3.287 . 0 0 "[ . 1 . 2]" 1
393 1 23 GLU O 1 27 LEU H 0.000 . 2.300 2.348 2.301 2.377 0.077 10 0 "[ . 1 . 2]" 1
394 1 23 GLU O 1 27 LEU N 0.000 . 3.300 3.287 3.233 3.325 0.025 18 0 "[ . 1 . 2]" 1
395 1 24 ALA O 1 28 LYS H 0.000 . 2.300 1.957 1.523 2.319 0.019 3 0 "[ . 1 . 2]" 1
396 1 24 ALA O 1 28 LYS N 0.000 . 3.300 2.857 2.453 3.275 . 0 0 "[ . 1 . 2]" 1
397 1 25 LEU O 1 29 ASP H 0.000 . 2.300 2.021 1.526 2.319 0.019 1 0 "[ . 1 . 2]" 1
398 1 25 LEU O 1 29 ASP N 0.000 . 3.300 2.935 2.500 3.259 . 0 0 "[ . 1 . 2]" 1
399 1 26 GLU O 1 30 ALA H 0.000 . 2.300 2.256 2.040 2.325 0.025 18 0 "[ . 1 . 2]" 1
400 1 26 GLU O 1 30 ALA N 0.000 . 3.300 3.181 2.987 3.293 . 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 6
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.479
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0015
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0120
_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 5 PHE 0.011 0.011 2 0 "[ . 1 . 2]"
1 7 LEU 0.013 0.013 11 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 LEU 0.013 0.013 11 0 "[ . 1 . 2]"
2 9 ILE 0.011 0.011 2 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 7 LEU O 2 7 LEU N 2.800 2.400 3.500 2.777 2.465 3.384 . 0 0 "[ . 1 . 2]" 2
2 1 7 LEU O 2 7 LEU H 1.800 . 2.500 1.833 1.487 2.417 0.013 11 0 "[ . 1 . 2]" 2
3 1 5 PHE O 2 9 ILE N 2.800 2.400 3.500 2.789 2.415 3.391 . 0 0 "[ . 1 . 2]" 2
4 1 5 PHE O 2 9 ILE H 1.800 . 2.500 1.894 1.489 2.479 0.011 2 0 "[ . 1 . 2]" 2
5 1 9 ILE O 2 5 PHE N 2.800 2.400 3.500 2.696 2.423 2.986 . 0 0 "[ . 1 . 2]" 2
6 1 9 ILE O 2 5 PHE H 1.800 . 2.500 1.788 1.525 2.082 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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