NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
627232 |
5ydy   |
36115 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5ydy
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 407
_Distance_constraint_stats_list.Viol_count 944
_Distance_constraint_stats_list.Viol_total 1127.104
_Distance_constraint_stats_list.Viol_max 0.363
_Distance_constraint_stats_list.Viol_rms 0.0271
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0069
_Distance_constraint_stats_list.Viol_average_violations_only 0.0597
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 SER 0.284 0.117 13 0 "[ . 1 . 2]"
1 2 GLY 0.367 0.117 13 0 "[ . 1 . 2]"
1 3 PRO 0.083 0.083 14 0 "[ . 1 . 2]"
1 4 LEU 2.512 0.202 13 0 "[ . 1 . 2]"
1 5 PRO 6.038 0.363 15 0 "[ . 1 . 2]"
1 6 ASP 2.884 0.090 14 0 "[ . 1 . 2]"
1 7 GLY 0.718 0.056 3 0 "[ . 1 . 2]"
1 8 TRP 7.466 0.363 15 0 "[ . 1 . 2]"
1 9 GLU 1.040 0.121 1 0 "[ . 1 . 2]"
1 10 GLN 2.509 0.202 13 0 "[ . 1 . 2]"
1 11 ALA 1.184 0.067 11 0 "[ . 1 . 2]"
1 12 MET 1.462 0.079 12 0 "[ . 1 . 2]"
1 13 THR 3.288 0.075 3 0 "[ . 1 . 2]"
1 14 GLN 0.756 0.052 12 0 "[ . 1 . 2]"
1 15 ASP 4.512 0.183 9 0 "[ . 1 . 2]"
1 16 GLY 4.006 0.183 9 0 "[ . 1 . 2]"
1 17 GLU 3.769 0.174 15 0 "[ . 1 . 2]"
1 18 ILE 3.530 0.174 15 0 "[ . 1 . 2]"
1 19 TYR 4.595 0.325 13 0 "[ . 1 . 2]"
1 20 TYR 1.132 0.090 13 0 "[ . 1 . 2]"
1 21 ILE 4.666 0.206 1 0 "[ . 1 . 2]"
1 22 ASN 0.208 0.074 9 0 "[ . 1 . 2]"
1 23 HIS 0.099 0.011 19 0 "[ . 1 . 2]"
1 24 LYS 2.158 0.074 9 0 "[ . 1 . 2]"
1 25 ASN 2.548 0.081 20 0 "[ . 1 . 2]"
1 26 LYS 0.570 0.056 2 0 "[ . 1 . 2]"
1 27 THR 2.126 0.075 7 0 "[ . 1 . 2]"
1 28 THR 4.567 0.109 9 0 "[ . 1 . 2]"
1 29 SER 3.978 0.206 1 0 "[ . 1 . 2]"
1 30 TRP 1.760 0.162 3 0 "[ . 1 . 2]"
1 31 LEU 0.267 0.070 17 0 "[ . 1 . 2]"
1 32 ASP 1.554 0.082 15 0 "[ . 1 . 2]"
1 33 PRO 0.890 0.143 2 0 "[ . 1 . 2]"
1 34 ARG 3.490 0.231 2 0 "[ . 1 . 2]"
1 35 LEU 1.444 0.081 2 0 "[ . 1 . 2]"
1 36 ASP 0.046 0.020 12 0 "[ . 1 . 2]"
1 37 PRO 0.017 0.013 6 0 "[ . 1 . 2]"
1 38 ARG 0.286 0.116 9 0 "[ . 1 . 2]"
1 43 ASN 0.031 0.022 15 0 "[ . 1 . 2]"
1 44 ARG 0.281 0.091 15 0 "[ . 1 . 2]"
1 45 GLN 0.955 0.146 2 0 "[ . 1 . 2]"
1 46 PRO 0.273 0.035 18 0 "[ . 1 . 2]"
1 47 PRO 0.905 0.162 3 0 "[ . 1 . 2]"
1 49 PRO 0.019 0.019 9 0 "[ . 1 . 2]"
1 50 TYR 0.804 0.109 9 0 "[ . 1 . 2]"
1 51 PRO 0.067 0.063 3 0 "[ . 1 . 2]"
1 52 LEU 0.348 0.063 3 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 SER QB 1 2 GLY H 5.000 . 6.000 3.103 1.683 3.977 0.117 13 0 "[ . 1 . 2]" 1
2 1 2 GLY H 1 3 PRO QD 5.000 . 6.000 3.403 1.717 4.346 0.083 14 0 "[ . 1 . 2]" 1
3 1 3 PRO HA 1 4 LEU H 2.900 . 2.900 2.497 2.222 2.791 . 0 0 "[ . 1 . 2]" 1
4 1 3 PRO QB 1 4 LEU H 2.900 . 3.900 2.655 1.915 3.541 . 0 0 "[ . 1 . 2]" 1
5 1 3 PRO QD 1 4 LEU H 5.000 . 6.000 4.932 4.732 5.059 . 0 0 "[ . 1 . 2]" 1
6 1 4 LEU H 1 4 LEU HA 2.900 . 2.900 2.938 2.909 2.952 0.052 3 0 "[ . 1 . 2]" 1
7 1 4 LEU H 1 4 LEU QB 2.900 . 3.500 2.136 2.074 2.257 . 0 0 "[ . 1 . 2]" 1
8 1 4 LEU QB 1 8 TRP H 3.500 . 4.500 3.667 3.502 3.786 . 0 0 "[ . 1 . 2]" 1
9 1 4 LEU H 1 4 LEU QD 3.500 . 5.200 3.338 2.829 3.469 . 0 0 "[ . 1 . 2]" 1
10 1 4 LEU QD 1 8 TRP HE1 5.000 . 7.400 2.956 1.709 3.465 0.091 3 0 "[ . 1 . 2]" 1
11 1 4 LEU QD 1 8 TRP H 5.000 . 7.400 4.779 4.624 4.895 . 0 0 "[ . 1 . 2]" 1
12 1 4 LEU QD 1 9 GLU H 3.500 . 5.900 3.530 2.955 4.066 . 0 0 "[ . 1 . 2]" 1
13 1 4 LEU QD 1 10 GLN H 2.900 . 5.300 1.870 1.598 2.631 0.202 13 0 "[ . 1 . 2]" 1
14 1 4 LEU QD 1 34 ARG H 3.500 . 5.900 4.153 3.639 4.369 . 0 0 "[ . 1 . 2]" 1
15 1 4 LEU H 1 5 PRO QD 5.000 . 6.000 4.354 4.248 4.379 . 0 0 "[ . 1 . 2]" 1
16 1 4 LEU H 1 8 TRP QB 5.000 . 6.000 5.534 5.484 5.562 . 0 0 "[ . 1 . 2]" 1
17 1 5 PRO HA 1 6 ASP H 3.500 . 3.500 3.550 3.394 3.590 0.090 14 0 "[ . 1 . 2]" 1
18 1 5 PRO QB 1 6 ASP H 2.900 . 3.900 2.479 2.138 3.238 . 0 0 "[ . 1 . 2]" 1
19 1 5 PRO QB 1 8 TRP HE1 3.500 . 4.500 2.504 2.058 3.676 . 0 0 "[ . 1 . 2]" 1
20 1 5 PRO QD 1 8 TRP HE1 5.000 . 6.000 2.176 1.756 2.524 0.044 16 0 "[ . 1 . 2]" 1
21 1 5 PRO QD 1 34 ARG H 5.000 . 6.000 5.251 4.915 5.406 . 0 0 "[ . 1 . 2]" 1
22 1 5 PRO QG 1 8 TRP HE1 5.000 . 6.000 1.644 1.437 2.592 0.363 15 0 "[ . 1 . 2]" 1
23 1 6 ASP H 1 6 ASP HA 2.900 . 2.900 2.627 2.412 2.724 . 0 0 "[ . 1 . 2]" 1
24 1 6 ASP HA 1 7 GLY H 2.900 . 2.900 2.171 2.139 2.182 . 0 0 "[ . 1 . 2]" 1
25 1 6 ASP HA 1 8 TRP H 3.500 . 3.500 3.546 3.495 3.578 0.078 14 0 "[ . 1 . 2]" 1
26 1 6 ASP H 1 6 ASP QB 2.900 . 3.500 3.173 3.122 3.239 . 0 0 "[ . 1 . 2]" 1
27 1 6 ASP QB 1 7 GLY H 3.500 . 4.500 3.841 3.612 3.894 . 0 0 "[ . 1 . 2]" 1
28 1 6 ASP H 1 7 GLY H 3.500 . 3.500 3.536 3.507 3.556 0.056 3 0 "[ . 1 . 2]" 1
29 1 6 ASP H 1 8 TRP HD1 5.000 . 5.000 2.491 2.076 3.413 . 0 0 "[ . 1 . 2]" 1
30 1 7 GLY QA 1 8 TRP H 2.900 . 3.900 2.946 2.929 2.960 . 0 0 "[ . 1 . 2]" 1
31 1 7 GLY QA 1 23 HIS H 5.000 . 6.000 3.543 3.388 3.709 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLY QA 1 24 LYS H 3.500 . 4.500 3.619 3.368 3.811 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLY H 1 8 TRP HD1 5.000 . 5.000 4.146 3.859 5.005 0.005 3 0 "[ . 1 . 2]" 1
34 1 7 GLY H 1 8 TRP H 2.900 . 2.900 2.233 2.157 2.400 . 0 0 "[ . 1 . 2]" 1
35 1 8 TRP H 1 8 TRP HA 2.900 . 2.900 2.921 2.908 2.950 0.050 3 0 "[ . 1 . 2]" 1
36 1 8 TRP HA 1 9 GLU H 2.900 . 2.900 2.470 2.421 2.580 . 0 0 "[ . 1 . 2]" 1
37 1 8 TRP HA 1 21 ILE H 5.000 . 5.000 4.711 4.607 4.824 . 0 0 "[ . 1 . 2]" 1
38 1 8 TRP HA 1 23 HIS H 3.500 . 3.500 2.033 1.927 2.208 . 0 0 "[ . 1 . 2]" 1
39 1 8 TRP H 1 8 TRP QB 2.900 . 3.500 3.078 2.881 3.130 . 0 0 "[ . 1 . 2]" 1
40 1 8 TRP QB 1 9 GLU H 2.900 . 3.900 2.532 2.338 2.677 . 0 0 "[ . 1 . 2]" 1
41 1 8 TRP H 1 8 TRP HD1 2.900 . 2.900 2.516 2.210 2.939 0.039 3 0 "[ . 1 . 2]" 1
42 1 8 TRP H 1 8 TRP HE1 5.000 . 5.000 4.761 4.567 5.078 0.078 3 0 "[ . 1 . 2]" 1
43 1 8 TRP HE1 1 33 PRO QB 5.000 . 6.000 4.687 3.558 5.376 . 0 0 "[ . 1 . 2]" 1
44 1 8 TRP HE1 1 33 PRO QG 5.000 . 6.000 4.018 2.336 5.189 . 0 0 "[ . 1 . 2]" 1
45 1 8 TRP HE3 1 9 GLU H 3.500 . 3.500 2.989 2.182 3.242 . 0 0 "[ . 1 . 2]" 1
46 1 8 TRP HE3 1 21 ILE H 3.500 . 3.500 3.259 2.285 3.544 0.044 7 0 "[ . 1 . 2]" 1
47 1 8 TRP H 1 9 GLU QB 5.000 . 6.000 4.825 4.339 5.090 . 0 0 "[ . 1 . 2]" 1
48 1 8 TRP H 1 9 GLU H 5.000 . 5.000 4.430 4.414 4.445 . 0 0 "[ . 1 . 2]" 1
49 1 8 TRP HZ3 1 9 GLU H 5.000 . 5.000 4.956 4.081 5.121 0.121 1 0 "[ . 1 . 2]" 1
50 1 9 GLU HA 1 10 GLN H 3.500 . 3.500 2.353 2.281 2.484 . 0 0 "[ . 1 . 2]" 1
51 1 9 GLU H 1 9 GLU QB 2.900 . 3.500 2.785 2.720 2.887 . 0 0 "[ . 1 . 2]" 1
52 1 9 GLU QB 1 10 GLN H 3.500 . 4.500 2.839 2.572 3.129 . 0 0 "[ . 1 . 2]" 1
53 1 9 GLU QB 1 21 ILE H 3.500 . 4.500 4.098 4.045 4.148 . 0 0 "[ . 1 . 2]" 1
54 1 9 GLU QG 1 10 GLN H 2.900 . 3.900 3.051 1.962 3.299 . 0 0 "[ . 1 . 2]" 1
55 1 9 GLU H 1 10 GLN H 5.000 . 5.000 4.364 4.313 4.409 . 0 0 "[ . 1 . 2]" 1
56 1 9 GLU H 1 20 TYR HA 5.000 . 5.000 4.662 4.546 4.777 . 0 0 "[ . 1 . 2]" 1
57 1 9 GLU H 1 20 TYR QD 5.000 . 7.000 5.239 4.512 5.851 . 0 0 "[ . 1 . 2]" 1
58 1 9 GLU H 1 21 ILE HB 5.000 . 5.000 4.982 4.874 5.037 0.037 7 0 "[ . 1 . 2]" 1
59 1 9 GLU H 1 21 ILE MD 3.500 . 5.000 4.190 4.142 4.213 . 0 0 "[ . 1 . 2]" 1
60 1 9 GLU H 1 21 ILE HG13 5.000 . 5.000 3.149 3.017 3.237 . 0 0 "[ . 1 . 2]" 1
61 1 9 GLU H 1 21 ILE HG12 5.000 . 5.000 4.740 4.614 4.836 . 0 0 "[ . 1 . 2]" 1
62 1 9 GLU H 1 21 ILE H 2.900 . 2.900 2.697 2.610 2.780 . 0 0 "[ . 1 . 2]" 1
63 1 9 GLU H 1 22 ASN HA 5.000 . 5.000 3.606 3.544 3.671 . 0 0 "[ . 1 . 2]" 1
64 1 9 GLU H 1 23 HIS H 5.000 . 5.000 4.267 4.127 4.467 . 0 0 "[ . 1 . 2]" 1
65 1 10 GLN H 1 10 GLN HA 2.900 . 2.900 2.944 2.893 2.967 0.067 1 0 "[ . 1 . 2]" 1
66 1 10 GLN HA 1 11 ALA H 2.900 . 2.900 2.257 2.218 2.298 . 0 0 "[ . 1 . 2]" 1
67 1 10 GLN HA 1 21 ILE H 3.500 . 3.500 3.355 3.221 3.487 . 0 0 "[ . 1 . 2]" 1
68 1 10 GLN H 1 10 GLN QB 2.900 . 3.500 2.261 2.167 2.368 . 0 0 "[ . 1 . 2]" 1
69 1 10 GLN QB 1 11 ALA H 3.500 . 4.500 3.646 3.547 3.750 . 0 0 "[ . 1 . 2]" 1
70 1 10 GLN HE22 1 18 ILE MD 3.500 . 5.000 2.664 2.082 3.046 . 0 0 "[ . 1 . 2]" 1
71 1 10 GLN HE22 1 18 ILE MG 5.000 . 6.500 5.258 4.459 5.504 . 0 0 "[ . 1 . 2]" 1
72 1 10 GLN H 1 10 GLN QG 3.500 . 4.500 3.881 3.523 4.031 . 0 0 "[ . 1 . 2]" 1
73 1 10 GLN QG 1 11 ALA H 2.900 . 3.900 2.465 2.058 2.933 . 0 0 "[ . 1 . 2]" 1
74 1 10 GLN QG 1 19 TYR H 5.000 . 6.000 4.301 3.902 5.259 . 0 0 "[ . 1 . 2]" 1
75 1 10 GLN H 1 21 ILE MG 5.000 . 6.500 4.255 4.061 4.474 . 0 0 "[ . 1 . 2]" 1
76 1 10 GLN H 1 20 TYR QD 5.000 . 6.500 4.652 3.812 5.903 . 0 0 "[ . 1 . 2]" 1
77 1 10 GLN H 1 20 TYR QE 5.000 . 6.500 5.362 4.676 6.072 . 0 0 "[ . 1 . 2]" 1
78 1 10 GLN H 1 11 ALA H 5.000 . 5.000 4.583 4.509 4.633 . 0 0 "[ . 1 . 2]" 1
79 1 11 ALA H 1 11 ALA HA 2.900 . 2.900 2.947 2.943 2.967 0.067 11 0 "[ . 1 . 2]" 1
80 1 11 ALA HA 1 12 MET H 2.900 . 2.900 2.715 2.673 2.728 . 0 0 "[ . 1 . 2]" 1
81 1 11 ALA H 1 11 ALA MB 2.900 . 4.000 2.643 2.529 2.686 . 0 0 "[ . 1 . 2]" 1
82 1 11 ALA MB 1 12 MET H 2.900 . 4.400 1.918 1.869 1.983 . 0 0 "[ . 1 . 2]" 1
83 1 11 ALA MB 1 19 TYR H 3.500 . 5.000 4.057 3.950 4.144 . 0 0 "[ . 1 . 2]" 1
84 1 11 ALA H 1 12 MET H 5.000 . 5.000 4.367 4.361 4.384 . 0 0 "[ . 1 . 2]" 1
85 1 11 ALA H 1 18 ILE MD 3.500 . 5.000 3.117 2.952 3.383 . 0 0 "[ . 1 . 2]" 1
86 1 11 ALA H 1 18 ILE HG13 5.000 . 5.000 5.008 4.975 5.036 0.036 2 0 "[ . 1 . 2]" 1
87 1 11 ALA H 1 20 TYR HA 3.500 . 3.500 2.763 2.403 3.206 . 0 0 "[ . 1 . 2]" 1
88 1 11 ALA H 1 20 TYR QD 5.000 . 7.000 3.449 2.379 4.364 . 0 0 "[ . 1 . 2]" 1
89 1 11 ALA H 1 21 ILE H 5.000 . 5.000 4.236 4.002 4.430 . 0 0 "[ . 1 . 2]" 1
90 1 12 MET H 1 12 MET HA 2.900 . 2.900 2.973 2.968 2.979 0.079 12 0 "[ . 1 . 2]" 1
91 1 12 MET HA 1 13 THR H 2.900 . 2.900 2.382 2.300 2.416 . 0 0 "[ . 1 . 2]" 1
92 1 12 MET HA 1 19 TYR H 2.900 . 2.900 2.311 1.887 2.487 . 0 0 "[ . 1 . 2]" 1
93 1 12 MET H 1 12 MET QB 2.900 . 3.500 2.964 2.615 3.201 . 0 0 "[ . 1 . 2]" 1
94 1 12 MET QB 1 13 THR H 3.500 . 4.500 2.691 2.518 3.119 . 0 0 "[ . 1 . 2]" 1
95 1 12 MET QB 1 16 GLY H 5.000 . 6.000 3.931 3.657 4.708 . 0 0 "[ . 1 . 2]" 1
96 1 12 MET QB 1 18 ILE H 3.500 . 4.500 2.932 2.574 3.243 . 0 0 "[ . 1 . 2]" 1
97 1 12 MET QB 1 19 TYR H 3.500 . 4.500 3.982 3.681 4.092 . 0 0 "[ . 1 . 2]" 1
98 1 12 MET H 1 12 MET QG 3.500 . 4.500 2.496 1.972 3.428 . 0 0 "[ . 1 . 2]" 1
99 1 12 MET QG 1 13 THR H 3.500 . 4.500 3.425 2.174 4.046 . 0 0 "[ . 1 . 2]" 1
100 1 12 MET H 1 13 THR MG 5.000 . 6.500 5.212 5.156 5.273 . 0 0 "[ . 1 . 2]" 1
101 1 12 MET H 1 13 THR H 5.000 . 5.000 4.468 4.421 4.503 . 0 0 "[ . 1 . 2]" 1
102 1 12 MET H 1 19 TYR QD 5.000 . 7.000 4.022 3.394 4.621 . 0 0 "[ . 1 . 2]" 1
103 1 12 MET H 1 19 TYR QE 3.500 . 5.500 2.958 2.216 3.701 . 0 0 "[ . 1 . 2]" 1
104 1 13 THR H 1 13 THR HA 2.900 . 2.900 2.950 2.932 2.965 0.065 16 0 "[ . 1 . 2]" 1
105 1 13 THR HA 1 14 GLN H 5.000 . 5.000 2.852 2.829 2.883 . 0 0 "[ . 1 . 2]" 1
106 1 13 THR H 1 13 THR HB 3.500 . 3.500 3.529 3.477 3.575 0.075 3 0 "[ . 1 . 2]" 1
107 1 13 THR HB 1 14 GLN H 3.500 . 3.500 1.762 1.748 1.773 0.052 12 0 "[ . 1 . 2]" 1
108 1 13 THR HB 1 15 ASP H 2.900 . 2.900 2.534 2.376 2.731 . 0 0 "[ . 1 . 2]" 1
109 1 13 THR H 1 13 THR MG 2.900 . 4.400 2.976 2.747 3.205 . 0 0 "[ . 1 . 2]" 1
110 1 13 THR MG 1 14 GLN H 2.900 . 4.400 3.223 3.014 3.419 . 0 0 "[ . 1 . 2]" 1
111 1 13 THR MG 1 15 ASP H 3.500 . 5.000 4.102 4.045 4.161 . 0 0 "[ . 1 . 2]" 1
112 1 13 THR MG 1 16 GLY H 5.000 . 6.500 5.042 4.919 5.134 . 0 0 "[ . 1 . 2]" 1
113 1 13 THR MG 1 19 TYR H 5.000 . 6.500 4.305 3.763 4.803 . 0 0 "[ . 1 . 2]" 1
114 1 13 THR H 1 14 GLN H 5.000 . 5.000 4.370 4.353 4.409 . 0 0 "[ . 1 . 2]" 1
115 1 13 THR H 1 15 ASP H 5.000 . 5.000 4.055 3.977 4.210 . 0 0 "[ . 1 . 2]" 1
116 1 13 THR H 1 16 GLY QA 5.000 . 6.000 3.176 3.055 3.232 . 0 0 "[ . 1 . 2]" 1
117 1 13 THR H 1 16 GLY H 3.500 . 3.500 3.544 3.529 3.566 0.066 9 0 "[ . 1 . 2]" 1
118 1 13 THR H 1 17 GLU QB 3.500 . 4.500 3.673 3.541 3.701 . 0 0 "[ . 1 . 2]" 1
119 1 13 THR H 1 17 GLU QG 5.000 . 6.000 3.927 3.791 4.015 . 0 0 "[ . 1 . 2]" 1
120 1 17 GLU H 1 19 TYR QD 5.000 . 6.500 5.202 4.488 5.964 . 0 0 "[ . 1 . 2]" 1
121 1 13 THR H 1 18 ILE H 5.000 . 5.000 3.008 2.873 3.107 . 0 0 "[ . 1 . 2]" 1
122 1 13 THR H 1 19 TYR QD 3.500 . 5.500 3.437 2.681 4.332 . 0 0 "[ . 1 . 2]" 1
123 1 13 THR H 1 19 TYR QE 3.500 . 5.500 4.201 3.632 4.825 . 0 0 "[ . 1 . 2]" 1
124 1 13 THR H 1 19 TYR H 5.000 . 5.000 3.999 3.569 4.276 . 0 0 "[ . 1 . 2]" 1
125 1 14 GLN QB 1 15 ASP H 2.900 . 3.900 3.223 3.148 3.468 . 0 0 "[ . 1 . 2]" 1
126 1 14 GLN H 1 15 ASP QB 3.500 . 4.500 4.128 4.092 4.143 . 0 0 "[ . 1 . 2]" 1
127 1 15 ASP H 1 15 ASP HA 2.900 . 2.900 2.970 2.969 2.971 0.071 10 0 "[ . 1 . 2]" 1
128 1 15 ASP HA 1 16 GLY H 2.900 . 2.900 3.055 3.037 3.083 0.183 9 0 "[ . 1 . 2]" 1
129 1 15 ASP H 1 15 ASP QB 2.900 . 3.500 2.454 2.385 2.475 . 0 0 "[ . 1 . 2]" 1
130 1 15 ASP QB 1 16 GLY H 3.500 . 4.500 3.622 3.591 3.648 . 0 0 "[ . 1 . 2]" 1
131 1 15 ASP H 1 16 GLY QA 3.500 . 4.500 4.112 4.094 4.125 . 0 0 "[ . 1 . 2]" 1
132 1 15 ASP H 1 16 GLY H 2.900 . 2.900 2.315 2.267 2.350 . 0 0 "[ . 1 . 2]" 1
133 1 16 GLY QA 1 17 GLU H 3.500 . 4.500 2.706 2.633 2.821 . 0 0 "[ . 1 . 2]" 1
134 1 16 GLY H 1 17 GLU QB 5.000 . 6.000 5.051 5.014 5.137 . 0 0 "[ . 1 . 2]" 1
135 1 16 GLY H 1 17 GLU QG 3.500 . 4.500 3.708 3.616 3.790 . 0 0 "[ . 1 . 2]" 1
136 1 16 GLY H 1 17 GLU H 2.900 . 2.900 2.822 2.704 2.914 0.014 20 0 "[ . 1 . 2]" 1
137 1 17 GLU H 1 17 GLU HA 2.900 . 2.900 2.941 2.910 2.958 0.058 4 0 "[ . 1 . 2]" 1
138 1 17 GLU HA 1 18 ILE H 2.900 . 2.900 3.046 3.024 3.074 0.174 15 0 "[ . 1 . 2]" 1
139 1 17 GLU H 1 17 GLU QB 2.900 . 3.500 2.616 2.576 2.642 . 0 0 "[ . 1 . 2]" 1
140 1 17 GLU QB 1 18 ILE H 2.900 . 3.900 3.582 3.557 3.609 . 0 0 "[ . 1 . 2]" 1
141 1 17 GLU H 1 17 GLU QG 2.900 . 3.900 2.201 2.051 2.370 . 0 0 "[ . 1 . 2]" 1
142 1 17 GLU QG 1 18 ILE H 3.500 . 4.500 4.113 4.079 4.143 . 0 0 "[ . 1 . 2]" 1
143 1 17 GLU H 1 18 ILE H 5.000 . 5.000 2.599 2.473 2.742 . 0 0 "[ . 1 . 2]" 1
144 1 18 ILE H 1 18 ILE HA 2.900 . 2.900 2.386 2.371 2.420 . 0 0 "[ . 1 . 2]" 1
145 1 18 ILE HA 1 19 TYR H 2.900 . 2.900 2.186 2.174 2.204 . 0 0 "[ . 1 . 2]" 1
146 1 18 ILE H 1 18 ILE HB 3.500 . 3.500 2.991 2.897 3.065 . 0 0 "[ . 1 . 2]" 1
147 1 18 ILE H 1 18 ILE MD 3.500 . 5.000 3.904 3.818 4.029 . 0 0 "[ . 1 . 2]" 1
148 1 18 ILE MD 1 19 TYR H 2.900 . 4.400 2.719 2.490 3.124 . 0 0 "[ . 1 . 2]" 1
149 1 18 ILE MD 1 20 TYR H 5.000 . 6.500 5.196 4.979 5.310 . 0 0 "[ . 1 . 2]" 1
150 1 18 ILE HG13 1 19 TYR H 3.500 . 3.500 3.515 3.473 3.532 0.032 9 0 "[ . 1 . 2]" 1
151 1 18 ILE H 1 18 ILE MG 3.500 . 5.000 2.898 2.781 2.979 . 0 0 "[ . 1 . 2]" 1
152 1 18 ILE MG 1 19 TYR H 3.500 . 5.000 4.171 4.145 4.194 . 0 0 "[ . 1 . 2]" 1
153 1 18 ILE H 1 30 TRP HZ3 5.000 . 5.000 4.826 4.424 5.013 0.013 14 0 "[ . 1 . 2]" 1
154 1 19 TYR H 1 19 TYR HA 2.900 . 2.900 2.967 2.955 2.977 0.077 6 0 "[ . 1 . 2]" 1
155 1 19 TYR HA 1 20 TYR H 2.900 . 2.900 2.451 2.292 2.587 . 0 0 "[ . 1 . 2]" 1
156 1 19 TYR H 1 19 TYR QB 3.500 . 4.100 2.965 2.869 3.065 . 0 0 "[ . 1 . 2]" 1
157 1 19 TYR QB 1 20 TYR H 2.900 . 3.900 2.541 2.254 2.834 . 0 0 "[ . 1 . 2]" 1
158 1 19 TYR QB 1 29 SER H 5.000 . 6.000 4.012 3.568 4.741 . 0 0 "[ . 1 . 2]" 1
159 1 19 TYR H 1 19 TYR QD 2.900 . 4.900 2.231 1.475 3.111 0.325 13 0 "[ . 1 . 2]" 1
160 1 19 TYR H 1 19 TYR QE 5.000 . 7.000 4.061 3.746 4.527 . 0 0 "[ . 1 . 2]" 1
161 1 19 TYR H 1 20 TYR H 5.000 . 5.000 4.455 4.429 4.480 . 0 0 "[ . 1 . 2]" 1
162 1 19 TYR H 1 30 TRP HE3 5.000 . 5.000 4.950 4.789 5.033 0.033 17 0 "[ . 1 . 2]" 1
163 1 20 TYR HA 1 21 ILE H 2.900 . 2.900 2.308 2.263 2.364 . 0 0 "[ . 1 . 2]" 1
164 1 20 TYR H 1 20 TYR QB 2.900 . 3.500 2.482 2.355 2.558 . 0 0 "[ . 1 . 2]" 1
165 1 20 TYR QB 1 21 ILE H 3.500 . 4.500 2.775 2.570 2.983 . 0 0 "[ . 1 . 2]" 1
166 1 20 TYR QB 1 29 SER H 3.500 . 4.500 2.594 2.400 2.734 . 0 0 "[ . 1 . 2]" 1
167 1 20 TYR H 1 20 TYR QD 2.900 . 4.900 2.899 1.999 3.268 . 0 0 "[ . 1 . 2]" 1
168 1 20 TYR QD 1 21 ILE H 3.500 . 5.500 3.946 3.619 4.276 . 0 0 "[ . 1 . 2]" 1
169 1 20 TYR QD 1 31 LEU H 5.000 . 7.000 4.094 2.735 5.352 . 0 0 "[ . 1 . 2]" 1
170 1 20 TYR H 1 20 TYR QE 5.000 . 7.000 4.777 4.301 4.971 . 0 0 "[ . 1 . 2]" 1
171 1 20 TYR QE 1 29 SER H 5.000 . 7.000 6.486 6.341 6.592 . 0 0 "[ . 1 . 2]" 1
172 1 20 TYR H 1 21 ILE H 5.000 . 5.000 4.544 4.486 4.598 . 0 0 "[ . 1 . 2]" 1
173 1 20 TYR H 1 28 THR HA 5.000 . 5.000 4.672 4.467 4.838 . 0 0 "[ . 1 . 2]" 1
174 1 20 TYR H 1 28 THR HB 3.500 . 3.500 3.557 3.509 3.590 0.090 13 0 "[ . 1 . 2]" 1
175 1 20 TYR H 1 28 THR MG 5.000 . 6.500 3.925 3.722 4.093 . 0 0 "[ . 1 . 2]" 1
176 1 20 TYR H 1 29 SER QB 5.000 . 6.000 4.499 4.037 4.939 . 0 0 "[ . 1 . 2]" 1
177 1 20 TYR H 1 29 SER H 3.500 . 3.500 2.726 2.450 3.126 . 0 0 "[ . 1 . 2]" 1
178 1 20 TYR H 1 30 TRP HE3 5.000 . 5.000 4.060 3.603 4.592 . 0 0 "[ . 1 . 2]" 1
179 1 20 TYR QD 1 30 TRP H 5.000 . 6.500 4.572 4.067 5.199 . 0 0 "[ . 1 . 2]" 1
180 1 20 TYR H 1 30 TRP H 5.000 . 5.000 4.719 4.490 4.869 . 0 0 "[ . 1 . 2]" 1
181 1 21 ILE HA 1 22 ASN H 2.900 . 2.900 2.186 2.172 2.216 . 0 0 "[ . 1 . 2]" 1
182 1 21 ILE HA 1 29 SER H 3.500 . 3.500 3.435 3.228 3.552 0.052 11 0 "[ . 1 . 2]" 1
183 1 21 ILE H 1 21 ILE HB 3.500 . 3.500 3.525 3.504 3.561 0.061 1 0 "[ . 1 . 2]" 1
184 1 21 ILE HB 1 22 ASN H 5.000 . 5.000 3.888 3.718 3.978 . 0 0 "[ . 1 . 2]" 1
185 1 21 ILE HB 1 29 SER H 5.000 . 5.000 5.184 5.152 5.206 0.206 1 0 "[ . 1 . 2]" 1
186 1 21 ILE H 1 21 ILE MD 3.500 . 5.000 4.101 4.083 4.142 . 0 0 "[ . 1 . 2]" 1
187 1 21 ILE MD 1 22 ASN H 2.900 . 4.400 1.943 1.806 2.237 . 0 0 "[ . 1 . 2]" 1
188 1 21 ILE MD 1 23 HIS H 3.500 . 5.000 2.812 2.644 2.961 . 0 0 "[ . 1 . 2]" 1
189 1 21 ILE MD 1 27 THR H 5.000 . 6.500 3.248 3.058 3.575 . 0 0 "[ . 1 . 2]" 1
190 1 21 ILE HG13 1 22 ASN H 5.000 . 5.000 3.804 3.693 3.885 . 0 0 "[ . 1 . 2]" 1
191 1 21 ILE HG12 1 22 ASN H 5.000 . 5.000 4.575 4.430 4.703 . 0 0 "[ . 1 . 2]" 1
192 1 21 ILE H 1 22 ASN H 5.000 . 5.000 4.364 4.326 4.434 . 0 0 "[ . 1 . 2]" 1
193 1 21 ILE H 1 28 THR MG 2.900 . 4.400 3.481 3.441 3.515 . 0 0 "[ . 1 . 2]" 1
194 1 22 ASN HA 1 23 HIS H 2.900 . 2.900 2.218 2.212 2.226 . 0 0 "[ . 1 . 2]" 1
195 1 22 ASN HA 1 24 LYS H 3.500 . 3.500 3.274 3.256 3.304 . 0 0 "[ . 1 . 2]" 1
196 1 22 ASN H 1 22 ASN QB 2.900 . 3.500 2.357 2.225 2.455 . 0 0 "[ . 1 . 2]" 1
197 1 22 ASN QB 1 23 HIS H 3.500 . 4.500 3.870 3.705 3.973 . 0 0 "[ . 1 . 2]" 1
198 1 22 ASN QB 1 24 LYS H 5.000 . 6.000 3.042 2.585 3.571 . 0 0 "[ . 1 . 2]" 1
199 1 22 ASN QB 1 25 ASN H 5.000 . 6.000 2.521 1.983 3.056 . 0 0 "[ . 1 . 2]" 1
200 1 22 ASN QB 1 27 THR H 2.900 . 3.900 2.964 2.722 3.213 . 0 0 "[ . 1 . 2]" 1
201 1 22 ASN HD21 1 24 LYS QB 5.000 . 6.000 3.002 1.726 4.783 0.074 9 0 "[ . 1 . 2]" 1
202 1 22 ASN HD22 1 25 ASN H 5.000 . 5.000 4.400 2.339 5.007 0.007 8 0 "[ . 1 . 2]" 1
203 1 22 ASN H 1 23 HIS H 5.000 . 5.000 4.210 4.145 4.239 . 0 0 "[ . 1 . 2]" 1
204 1 22 ASN H 1 27 THR MG 5.000 . 6.500 5.494 5.473 5.508 . 0 0 "[ . 1 . 2]" 1
205 1 22 ASN H 1 27 THR H 3.500 . 3.500 3.231 3.121 3.368 . 0 0 "[ . 1 . 2]" 1
206 1 22 ASN H 1 28 THR HA 3.500 . 3.500 2.625 2.428 2.840 . 0 0 "[ . 1 . 2]" 1
207 1 22 ASN H 1 28 THR MG 3.500 . 5.000 3.283 3.189 3.621 . 0 0 "[ . 1 . 2]" 1
208 1 22 ASN H 1 28 THR H 5.000 . 5.000 4.520 4.428 4.660 . 0 0 "[ . 1 . 2]" 1
209 1 22 ASN H 1 29 SER H 5.000 . 5.000 4.533 4.092 4.813 . 0 0 "[ . 1 . 2]" 1
210 1 22 ASN H 1 50 TYR QD 3.500 . 5.500 4.852 3.941 5.189 . 0 0 "[ . 1 . 2]" 1
211 1 22 ASN H 1 50 TYR QE 5.000 . 7.000 5.069 3.506 5.516 . 0 0 "[ . 1 . 2]" 1
212 1 23 HIS H 1 23 HIS HA 2.900 . 2.900 2.877 2.867 2.889 . 0 0 "[ . 1 . 2]" 1
213 1 23 HIS HA 1 24 LYS H 3.500 . 3.500 3.300 3.206 3.366 . 0 0 "[ . 1 . 2]" 1
214 1 23 HIS HA 1 26 LYS H 5.000 . 5.000 3.276 3.069 3.537 . 0 0 "[ . 1 . 2]" 1
215 1 23 HIS H 1 23 HIS QB 2.900 . 3.500 2.450 2.383 2.518 . 0 0 "[ . 1 . 2]" 1
216 1 23 HIS QB 1 24 LYS H 3.500 . 4.500 3.359 3.227 3.519 . 0 0 "[ . 1 . 2]" 1
217 1 23 HIS H 1 23 HIS HD2 3.500 . 3.500 3.084 2.652 3.504 0.004 20 0 "[ . 1 . 2]" 1
218 1 23 HIS H 1 24 LYS QB 5.000 . 6.000 4.497 4.322 4.789 . 0 0 "[ . 1 . 2]" 1
219 1 23 HIS H 1 24 LYS QG 5.000 . 6.000 4.522 3.713 5.167 . 0 0 "[ . 1 . 2]" 1
220 1 23 HIS H 1 24 LYS H 2.900 . 2.900 2.695 2.652 2.779 . 0 0 "[ . 1 . 2]" 1
221 1 23 HIS H 1 25 ASN H 5.000 . 5.000 4.700 4.542 4.932 . 0 0 "[ . 1 . 2]" 1
222 1 23 HIS H 1 50 TYR QE 5.000 . 7.000 5.954 5.115 6.289 . 0 0 "[ . 1 . 2]" 1
223 1 24 LYS H 1 24 LYS HA 2.900 . 2.900 2.936 2.908 2.968 0.068 18 0 "[ . 1 . 2]" 1
224 1 24 LYS HA 1 25 ASN H 3.500 . 3.500 3.546 3.517 3.562 0.062 12 0 "[ . 1 . 2]" 1
225 1 24 LYS HA 1 26 LYS H 5.000 . 5.000 4.053 3.820 4.247 . 0 0 "[ . 1 . 2]" 1
226 1 24 LYS H 1 24 LYS QB 2.900 . 3.500 2.256 2.091 2.461 . 0 0 "[ . 1 . 2]" 1
227 1 24 LYS QB 1 25 ASN H 2.900 . 3.900 2.611 2.343 3.294 . 0 0 "[ . 1 . 2]" 1
228 1 24 LYS H 1 24 LYS QG 2.900 . 3.900 2.955 2.279 3.383 . 0 0 "[ . 1 . 2]" 1
229 1 24 LYS QG 1 25 ASN H 5.000 . 6.000 4.110 1.769 4.436 0.031 8 0 "[ . 1 . 2]" 1
230 1 24 LYS H 1 25 ASN H 2.900 . 2.900 2.395 2.124 2.558 . 0 0 "[ . 1 . 2]" 1
231 1 24 LYS H 1 26 LYS HA 5.000 . 5.000 5.013 5.001 5.022 0.022 6 0 "[ . 1 . 2]" 1
232 1 24 LYS H 1 26 LYS H 3.500 . 3.500 3.403 3.305 3.524 0.024 2 0 "[ . 1 . 2]" 1
233 1 25 ASN H 1 25 ASN HA 2.900 . 2.900 2.975 2.963 2.981 0.081 20 0 "[ . 1 . 2]" 1
234 1 25 ASN HA 1 26 LYS H 3.500 . 3.500 3.149 3.052 3.261 . 0 0 "[ . 1 . 2]" 1
235 1 25 ASN H 1 25 ASN QB 2.900 . 3.500 2.429 2.341 2.690 . 0 0 "[ . 1 . 2]" 1
236 1 25 ASN HD21 1 27 THR MG 5.000 . 6.500 4.534 2.570 5.321 . 0 0 "[ . 1 . 2]" 1
237 1 25 ASN H 1 26 LYS QB 5.000 . 6.000 4.924 4.675 5.372 . 0 0 "[ . 1 . 2]" 1
238 1 25 ASN H 1 26 LYS QG 5.000 . 6.000 5.059 4.299 5.334 . 0 0 "[ . 1 . 2]" 1
239 1 25 ASN H 1 26 LYS H 2.900 . 2.900 2.348 2.124 2.563 . 0 0 "[ . 1 . 2]" 1
240 1 25 ASN H 1 27 THR H 3.500 . 3.500 3.468 3.337 3.523 0.023 8 0 "[ . 1 . 2]" 1
241 1 26 LYS H 1 26 LYS HA 2.900 . 2.900 2.351 2.340 2.368 . 0 0 "[ . 1 . 2]" 1
242 1 26 LYS HA 1 27 THR H 2.900 . 2.900 2.824 2.760 2.901 0.001 1 0 "[ . 1 . 2]" 1
243 1 26 LYS H 1 26 LYS QB 2.900 . 3.500 3.032 2.901 3.150 . 0 0 "[ . 1 . 2]" 1
244 1 26 LYS QB 1 27 THR H 3.500 . 4.500 3.904 3.821 4.060 . 0 0 "[ . 1 . 2]" 1
245 1 26 LYS H 1 26 LYS QG 2.900 . 3.900 3.094 2.507 3.445 . 0 0 "[ . 1 . 2]" 1
246 1 26 LYS H 1 27 THR H 2.900 . 2.900 2.876 2.715 2.956 0.056 2 0 "[ . 1 . 2]" 1
247 1 27 THR H 1 27 THR HA 2.900 . 2.900 2.964 2.956 2.975 0.075 7 0 "[ . 1 . 2]" 1
248 1 27 THR HA 1 28 THR H 2.900 . 2.900 2.420 2.367 2.549 . 0 0 "[ . 1 . 2]" 1
249 1 27 THR H 1 27 THR HB 3.500 . 3.500 3.521 3.454 3.538 0.038 16 0 "[ . 1 . 2]" 1
250 1 27 THR HB 1 28 THR H 2.900 . 2.900 2.777 2.451 2.912 0.012 9 0 "[ . 1 . 2]" 1
251 1 27 THR H 1 27 THR MG 2.900 . 4.400 3.692 3.672 3.715 . 0 0 "[ . 1 . 2]" 1
252 1 27 THR MG 1 28 THR H 2.900 . 4.400 2.861 2.714 3.000 . 0 0 "[ . 1 . 2]" 1
253 1 27 THR H 1 28 THR HA 5.000 . 5.000 4.695 4.667 4.761 . 0 0 "[ . 1 . 2]" 1
254 1 27 THR H 1 28 THR H 5.000 . 5.000 4.444 4.433 4.472 . 0 0 "[ . 1 . 2]" 1
255 1 27 THR H 1 50 TYR QD 3.500 . 5.500 3.982 3.590 4.267 . 0 0 "[ . 1 . 2]" 1
256 1 27 THR H 1 50 TYR QE 3.500 . 5.500 3.855 2.716 4.738 . 0 0 "[ . 1 . 2]" 1
257 1 28 THR H 1 28 THR HA 2.900 . 2.900 2.969 2.961 2.972 0.072 20 0 "[ . 1 . 2]" 1
258 1 28 THR HA 1 29 SER H 2.900 . 2.900 2.406 2.310 2.498 . 0 0 "[ . 1 . 2]" 1
259 1 28 THR H 1 28 THR HB 3.500 . 3.500 3.564 3.519 3.586 0.086 8 0 "[ . 1 . 2]" 1
260 1 28 THR HB 1 29 SER H 5.000 . 5.000 2.612 2.342 2.894 . 0 0 "[ . 1 . 2]" 1
261 1 28 THR HB 1 50 TYR H 5.000 . 5.000 5.025 4.810 5.109 0.109 9 0 "[ . 1 . 2]" 1
262 1 28 THR H 1 28 THR MG 2.900 . 4.400 3.224 3.114 3.371 . 0 0 "[ . 1 . 2]" 1
263 1 28 THR MG 1 29 SER H 3.500 . 5.000 3.270 3.144 3.365 . 0 0 "[ . 1 . 2]" 1
264 1 28 THR MG 1 50 TYR H 3.500 . 5.000 3.603 3.376 3.978 . 0 0 "[ . 1 . 2]" 1
265 1 28 THR H 1 29 SER H 5.000 . 5.000 4.536 4.487 4.583 . 0 0 "[ . 1 . 2]" 1
266 1 28 THR H 1 50 TYR QB 5.000 . 6.000 3.180 2.070 3.745 . 0 0 "[ . 1 . 2]" 1
267 1 28 THR H 1 50 TYR QD 5.000 . 7.000 3.853 2.766 4.392 . 0 0 "[ . 1 . 2]" 1
268 1 28 THR H 1 50 TYR H 5.000 . 5.000 2.980 2.452 5.033 0.033 9 0 "[ . 1 . 2]" 1
269 1 29 SER HA 1 30 TRP H 2.900 . 2.900 2.558 2.263 2.851 . 0 0 "[ . 1 . 2]" 1
270 1 29 SER H 1 29 SER QB 2.900 . 3.500 2.845 2.503 3.077 . 0 0 "[ . 1 . 2]" 1
271 1 29 SER QB 1 30 TRP H 3.500 . 4.500 2.694 1.674 3.379 0.126 4 0 "[ . 1 . 2]" 1
272 1 29 SER H 1 47 PRO QB 3.500 . 5.500 4.342 3.676 4.956 . 0 0 "[ . 1 . 2]" 1
273 1 30 TRP HA 1 31 LEU H 3.500 . 3.500 3.429 3.021 3.570 0.070 17 0 "[ . 1 . 2]" 1
274 1 30 TRP H 1 30 TRP QB 2.900 . 3.500 2.745 2.453 2.917 . 0 0 "[ . 1 . 2]" 1
275 1 30 TRP QB 1 31 LEU H 3.500 . 4.500 2.979 2.153 3.794 . 0 0 "[ . 1 . 2]" 1
276 1 30 TRP H 1 30 TRP HD1 3.500 . 3.500 2.747 2.195 3.288 . 0 0 "[ . 1 . 2]" 1
277 1 30 TRP H 1 30 TRP HE1 5.000 . 5.000 4.448 3.817 5.017 0.017 12 0 "[ . 1 . 2]" 1
278 1 30 TRP HE1 1 44 ARG QB 3.500 . 4.500 3.566 3.073 3.822 . 0 0 "[ . 1 . 2]" 1
279 1 30 TRP HE1 1 44 ARG QG 3.500 . 4.500 3.520 2.158 4.085 . 0 0 "[ . 1 . 2]" 1
280 1 30 TRP HE1 1 45 GLN QB 5.000 . 6.000 4.989 4.476 5.405 . 0 0 "[ . 1 . 2]" 1
281 1 30 TRP HE1 1 46 PRO HA 3.500 . 3.500 3.510 3.426 3.535 0.035 18 0 "[ . 1 . 2]" 1
282 1 30 TRP HE1 1 47 PRO HA 3.500 . 3.500 3.178 1.896 3.521 0.021 2 0 "[ . 1 . 2]" 1
283 1 30 TRP HE1 1 47 PRO QB 5.000 . 6.000 2.578 2.233 3.472 . 0 0 "[ . 1 . 2]" 1
284 1 30 TRP HE1 1 47 PRO QD 3.500 . 4.500 2.042 1.638 2.677 0.162 3 0 "[ . 1 . 2]" 1
285 1 30 TRP H 1 31 LEU QD 5.000 . 7.400 4.036 2.960 5.082 . 0 0 "[ . 1 . 2]" 1
286 1 30 TRP H 1 31 LEU H 5.000 . 5.000 2.128 1.785 2.787 0.015 13 0 "[ . 1 . 2]" 1
287 1 30 TRP H 1 47 PRO QB 5.000 . 6.000 4.234 2.931 5.291 . 0 0 "[ . 1 . 2]" 1
288 1 31 LEU H 1 31 LEU HA 2.900 . 2.900 2.784 2.701 2.881 . 0 0 "[ . 1 . 2]" 1
289 1 31 LEU HA 1 32 ASP H 2.900 . 2.900 2.283 2.192 2.379 . 0 0 "[ . 1 . 2]" 1
290 1 31 LEU H 1 31 LEU QB 2.900 . 3.500 2.291 2.093 2.749 . 0 0 "[ . 1 . 2]" 1
291 1 31 LEU QB 1 32 ASP H 3.500 . 4.500 3.138 2.601 3.874 . 0 0 "[ . 1 . 2]" 1
292 1 31 LEU H 1 31 LEU QD 3.500 . 5.200 2.855 1.859 3.757 . 0 0 "[ . 1 . 2]" 1
293 1 31 LEU QD 1 32 ASP H 2.900 . 5.300 3.180 1.963 3.824 . 0 0 "[ . 1 . 2]" 1
294 1 31 LEU H 1 32 ASP H 5.000 . 5.000 4.652 4.498 4.704 . 0 0 "[ . 1 . 2]" 1
295 1 32 ASP H 1 32 ASP HA 2.900 . 2.900 2.978 2.968 2.982 0.082 15 0 "[ . 1 . 2]" 1
296 1 32 ASP H 1 32 ASP QB 2.900 . 3.500 2.933 2.546 3.144 . 0 0 "[ . 1 . 2]" 1
297 1 32 ASP QB 1 35 LEU H 3.500 . 4.500 2.997 2.225 3.656 . 0 0 "[ . 1 . 2]" 1
298 1 33 PRO QB 1 34 ARG HE 3.500 . 4.500 2.248 1.657 3.770 0.143 2 0 "[ . 1 . 2]" 1
299 1 33 PRO QB 1 34 ARG H 5.000 . 6.000 2.252 1.671 2.954 0.129 19 0 "[ . 1 . 2]" 1
300 1 33 PRO QD 1 34 ARG H 3.500 . 4.500 2.924 2.181 3.401 . 0 0 "[ . 1 . 2]" 1
301 1 33 PRO QG 1 34 ARG H 3.500 . 4.500 2.533 1.720 3.702 0.080 3 0 "[ . 1 . 2]" 1
302 1 34 ARG HA 1 34 ARG HE 5.000 . 5.000 3.681 2.660 4.877 . 0 0 "[ . 1 . 2]" 1
303 1 34 ARG H 1 34 ARG HA 2.900 . 2.900 2.970 2.952 2.982 0.082 17 0 "[ . 1 . 2]" 1
304 1 34 ARG HA 1 35 LEU H 2.900 . 2.900 2.812 2.620 2.972 0.072 8 0 "[ . 1 . 2]" 1
305 1 34 ARG QB 1 34 ARG HE 2.900 . 3.900 2.478 1.764 3.551 0.036 1 0 "[ . 1 . 2]" 1
306 1 34 ARG H 1 34 ARG QB 2.900 . 3.500 3.099 2.938 3.221 . 0 0 "[ . 1 . 2]" 1
307 1 34 ARG QB 1 35 LEU H 3.500 . 4.500 4.029 3.939 4.074 . 0 0 "[ . 1 . 2]" 1
308 1 34 ARG H 1 34 ARG QD 3.500 . 4.500 3.539 2.527 4.080 . 0 0 "[ . 1 . 2]" 1
309 1 34 ARG HE 1 34 ARG QG 3.500 . 4.500 2.539 2.154 2.939 . 0 0 "[ . 1 . 2]" 1
310 1 34 ARG H 1 34 ARG HE 2.900 . 2.900 2.540 1.941 2.913 0.013 6 0 "[ . 1 . 2]" 1
311 1 34 ARG H 1 34 ARG QG 2.900 . 3.900 1.903 1.569 2.406 0.231 2 0 "[ . 1 . 2]" 1
312 1 34 ARG QG 1 35 LEU H 3.500 . 4.500 3.755 3.500 3.878 . 0 0 "[ . 1 . 2]" 1
313 1 34 ARG H 1 35 LEU HA 5.000 . 5.000 4.738 4.292 5.026 0.026 1 0 "[ . 1 . 2]" 1
314 1 34 ARG H 1 35 LEU QB 3.500 . 4.500 3.510 3.329 3.923 . 0 0 "[ . 1 . 2]" 1
315 1 34 ARG H 1 35 LEU H 2.900 . 2.900 2.709 2.270 2.906 0.006 5 0 "[ . 1 . 2]" 1
316 1 35 LEU H 1 35 LEU HA 2.900 . 2.900 2.957 2.921 2.981 0.081 2 0 "[ . 1 . 2]" 1
317 1 35 LEU HA 1 36 ASP H 2.900 . 2.900 2.619 2.317 2.920 0.020 12 0 "[ . 1 . 2]" 1
318 1 35 LEU H 1 35 LEU QB 2.900 . 3.500 2.604 2.231 2.791 . 0 0 "[ . 1 . 2]" 1
319 1 35 LEU QB 1 36 ASP H 3.500 . 4.500 3.945 3.820 4.063 . 0 0 "[ . 1 . 2]" 1
320 1 35 LEU H 1 35 LEU QD 3.500 . 5.200 3.791 3.380 3.989 . 0 0 "[ . 1 . 2]" 1
321 1 35 LEU QD 1 36 ASP H 5.000 . 7.400 3.819 3.044 4.387 . 0 0 "[ . 1 . 2]" 1
322 1 35 LEU H 1 36 ASP H 3.500 . 3.500 3.071 2.358 3.507 0.007 20 0 "[ . 1 . 2]" 1
323 1 36 ASP H 1 36 ASP QB 2.900 . 3.500 2.892 2.064 3.118 . 0 0 "[ . 1 . 2]" 1
324 1 37 PRO HA 1 38 ARG H 2.900 . 2.900 2.496 2.218 2.913 0.013 6 0 "[ . 1 . 2]" 1
325 1 38 ARG H 1 38 ARG HA 2.900 . 2.900 2.746 2.353 2.979 0.079 5 0 "[ . 1 . 2]" 1
326 1 38 ARG H 1 38 ARG QB 2.900 . 3.500 2.588 2.086 3.245 . 0 0 "[ . 1 . 2]" 1
327 1 38 ARG H 1 38 ARG QG 3.500 . 4.500 3.141 1.684 4.073 0.116 9 0 "[ . 1 . 2]" 1
328 1 43 ASN HA 1 44 ARG H 3.500 . 3.500 2.625 2.191 3.522 0.022 15 0 "[ . 1 . 2]" 1
329 1 44 ARG HA 1 45 GLN H 2.900 . 2.900 2.304 2.192 2.699 . 0 0 "[ . 1 . 2]" 1
330 1 44 ARG QB 1 45 GLN H 3.500 . 4.500 3.323 2.048 3.884 . 0 0 "[ . 1 . 2]" 1
331 1 44 ARG QG 1 45 GLN H 3.500 . 4.500 3.110 1.709 4.086 0.091 15 0 "[ . 1 . 2]" 1
332 1 45 GLN H 1 45 GLN QB 2.900 . 3.500 2.558 2.089 2.956 . 0 0 "[ . 1 . 2]" 1
333 1 45 GLN H 1 45 GLN QG 3.500 . 4.500 2.362 1.654 3.639 0.146 2 0 "[ . 1 . 2]" 1
334 1 49 PRO HA 1 50 TYR H 2.900 . 2.900 2.249 2.209 2.919 0.019 9 0 "[ . 1 . 2]" 1
335 1 49 PRO QB 1 50 TYR H 2.900 . 3.900 3.495 1.987 3.627 . 0 0 "[ . 1 . 2]" 1
336 1 50 TYR H 1 50 TYR HA 2.900 . 2.900 2.868 2.610 2.940 0.040 1 0 "[ . 1 . 2]" 1
337 1 50 TYR H 1 50 TYR QB 2.900 . 3.500 2.201 2.101 3.207 . 0 0 "[ . 1 . 2]" 1
338 1 50 TYR QD 1 52 LEU H 3.500 . 5.500 4.723 4.004 5.283 . 0 0 "[ . 1 . 2]" 1
339 1 50 TYR QE 1 52 LEU H 5.000 . 7.000 4.330 3.647 4.822 . 0 0 "[ . 1 . 2]" 1
340 1 50 TYR H 1 51 PRO QD 5.000 . 6.000 4.190 2.416 4.394 . 0 0 "[ . 1 . 2]" 1
341 1 51 PRO HA 1 52 LEU H 2.900 . 2.900 2.312 2.211 2.963 0.063 3 0 "[ . 1 . 2]" 1
342 1 51 PRO QB 1 52 LEU H 3.500 . 4.500 3.359 1.927 3.823 . 0 0 "[ . 1 . 2]" 1
343 1 52 LEU H 1 52 LEU HA 2.900 . 2.900 2.832 2.344 2.948 0.048 11 0 "[ . 1 . 2]" 1
344 1 52 LEU HA 1 53 THR H 2.900 . 2.900 2.328 2.192 2.655 . 0 0 "[ . 1 . 2]" 1
345 1 52 LEU H 1 52 LEU QB 2.900 . 3.500 2.311 2.070 2.935 . 0 0 "[ . 1 . 2]" 1
346 1 52 LEU QB 1 53 THR H 3.500 . 4.500 3.708 2.111 4.005 . 0 0 "[ . 1 . 2]" 1
347 1 52 LEU H 1 52 LEU QD 3.500 . 5.200 3.442 1.755 3.779 0.045 4 0 "[ . 1 . 2]" 1
348 1 52 LEU H 1 53 THR H 5.000 . 5.000 4.257 3.153 4.678 . 0 0 "[ . 1 . 2]" 1
349 1 53 THR HA 1 54 ALA H 2.900 . 2.900 2.451 2.194 2.874 . 0 0 "[ . 1 . 2]" 1
350 1 4 LEU QD 1 20 TYR QD 3.500 . 7.900 3.705 2.359 4.523 . 0 0 "[ . 1 . 2]" 1
351 1 4 LEU QD 1 20 TYR QE 2.900 . 7.300 3.984 2.875 4.743 . 0 0 "[ . 1 . 2]" 1
352 1 5 PRO QB 1 8 TRP HD1 2.900 . 3.900 3.023 2.907 3.080 . 0 0 "[ . 1 . 2]" 1
353 1 5 PRO QG 1 8 TRP HD1 3.500 . 4.500 3.751 3.582 3.857 . 0 0 "[ . 1 . 2]" 1
354 1 8 TRP HA 1 22 ASN HA 3.500 . 3.500 2.162 2.108 2.392 . 0 0 "[ . 1 . 2]" 1
355 1 8 TRP HD1 1 9 GLU QG 5.000 . 6.000 5.301 5.085 5.424 . 0 0 "[ . 1 . 2]" 1
356 1 30 TRP HD1 1 47 PRO QD 5.000 . 6.000 3.051 2.178 3.666 . 0 0 "[ . 1 . 2]" 1
357 1 8 TRP HE3 1 20 TYR HA 5.000 . 5.000 4.150 3.458 4.647 . 0 0 "[ . 1 . 2]" 1
358 1 8 TRP HE3 1 20 TYR QB 3.500 . 4.500 2.325 2.131 2.815 . 0 0 "[ . 1 . 2]" 1
359 1 8 TRP HE3 1 33 PRO QG 5.000 . 6.000 4.566 3.552 5.291 . 0 0 "[ . 1 . 2]" 1
360 1 8 TRP HZ3 1 20 TYR QB 5.000 . 6.000 2.354 1.947 2.793 . 0 0 "[ . 1 . 2]" 1
361 1 9 GLU QB 1 23 HIS HD2 3.500 . 4.500 3.584 3.278 3.700 . 0 0 "[ . 1 . 2]" 1
362 1 10 GLN HA 1 20 TYR HA 3.500 . 3.500 2.244 2.152 2.533 . 0 0 "[ . 1 . 2]" 1
363 1 10 GLN HA 1 20 TYR QD 3.500 . 5.500 2.486 2.142 3.989 . 0 0 "[ . 1 . 2]" 1
364 1 10 GLN QB 1 20 TYR QE 5.000 . 8.000 2.832 2.089 4.065 . 0 0 "[ . 1 . 2]" 1
365 1 11 ALA MB 1 19 TYR QD 3.500 . 7.000 3.306 2.975 3.646 . 0 0 "[ . 1 . 2]" 1
366 1 11 ALA MB 1 19 TYR QE 2.900 . 6.400 2.142 1.882 2.603 . 0 0 "[ . 1 . 2]" 1
367 1 12 MET HA 1 19 TYR QD 5.000 . 7.000 2.779 2.149 3.196 . 0 0 "[ . 1 . 2]" 1
368 1 12 MET HA 1 19 TYR QE 5.000 . 7.000 3.667 3.323 4.011 . 0 0 "[ . 1 . 2]" 1
369 1 13 THR HA 1 19 TYR QE 5.000 . 7.000 3.292 2.356 4.130 . 0 0 "[ . 1 . 2]" 1
370 1 13 THR MG 1 19 TYR QD 2.900 . 6.400 2.488 1.927 3.188 . 0 0 "[ . 1 . 2]" 1
371 1 13 THR MG 1 19 TYR QE 2.900 . 6.400 2.896 2.156 3.536 . 0 0 "[ . 1 . 2]" 1
372 1 13 THR MG 1 30 TRP HH2 2.900 . 4.400 3.305 2.986 3.515 . 0 0 "[ . 1 . 2]" 1
373 1 13 THR MG 1 30 TRP HZ3 3.500 . 5.000 3.902 3.632 4.032 . 0 0 "[ . 1 . 2]" 1
374 1 17 GLU QB 1 30 TRP HZ3 3.500 . 5.000 2.801 2.071 3.345 . 0 0 "[ . 1 . 2]" 1
375 1 17 GLU QG 1 30 TRP HZ3 5.000 . 6.500 4.857 4.113 5.384 . 0 0 "[ . 1 . 2]" 1
376 1 19 TYR HA 1 30 TRP HE3 5.000 . 5.000 2.455 2.198 2.865 . 0 0 "[ . 1 . 2]" 1
377 1 19 TYR QB 1 30 TRP HE3 5.000 . 6.000 3.301 2.630 3.762 . 0 0 "[ . 1 . 2]" 1
378 1 19 TYR QE 1 21 ILE MD 3.500 . 7.000 4.683 4.161 5.339 . 0 0 "[ . 1 . 2]" 1
379 1 19 TYR QE 1 28 THR MG 2.900 . 6.400 2.069 1.914 2.241 . 0 0 "[ . 1 . 2]" 1
380 1 20 TYR HA 1 20 TYR QD 3.500 . 5.500 2.369 1.889 3.138 . 0 0 "[ . 1 . 2]" 1
381 1 20 TYR QD 1 28 THR HA 5.000 . 7.000 6.115 6.045 6.174 . 0 0 "[ . 1 . 2]" 1
382 1 20 TYR QD 1 32 ASP HA 5.000 . 7.000 3.699 2.859 4.546 . 0 0 "[ . 1 . 2]" 1
383 1 20 TYR QE 1 32 ASP HA 5.000 . 7.000 2.730 2.102 3.828 . 0 0 "[ . 1 . 2]" 1
384 1 20 TYR QE 1 32 ASP QB 5.000 . 7.000 2.917 2.166 4.174 . 0 0 "[ . 1 . 2]" 1
385 1 20 TYR QE 1 35 LEU QD 3.500 . 7.900 3.483 1.957 5.132 . 0 0 "[ . 1 . 2]" 1
386 1 21 ILE HA 1 28 THR HA 2.900 . 2.900 1.840 1.799 1.938 0.001 16 0 "[ . 1 . 2]" 1
387 1 26 LYS QB 1 50 TYR QD 5.000 . 7.500 4.171 3.269 4.758 . 0 0 "[ . 1 . 2]" 1
388 1 26 LYS QB 1 50 TYR QE 5.000 . 7.500 3.192 2.710 3.622 . 0 0 "[ . 1 . 2]" 1
389 1 21 ILE HG13 1 23 HIS HE1 3.500 . 3.500 3.491 3.377 3.511 0.011 19 0 "[ . 1 . 2]" 1
390 1 23 HIS HE1 1 52 LEU QD 3.500 . 5.900 3.848 3.168 4.414 . 0 0 "[ . 1 . 2]" 1
391 1 21 ILE HG12 1 23 HIS HE1 2.900 . 2.900 2.761 2.585 2.902 0.002 9 0 "[ . 1 . 2]" 1
392 1 21 ILE MG 1 28 THR MG 2.900 . 4.400 2.751 2.652 2.851 . 0 0 "[ . 1 . 2]" 1
393 1 21 ILE MG 1 50 TYR QD 2.900 . 6.400 4.248 3.778 5.010 . 0 0 "[ . 1 . 2]" 1
394 1 21 ILE MG 1 50 TYR QE 2.900 . 6.400 4.455 3.482 4.985 . 0 0 "[ . 1 . 2]" 1
395 1 50 TYR QE 1 52 LEU HA 2.900 . 4.900 2.844 2.303 4.764 . 0 0 "[ . 1 . 2]" 1
396 1 23 HIS HE1 1 50 TYR QE 5.000 . 7.000 3.453 2.489 4.773 . 0 0 "[ . 1 . 2]" 1
397 1 28 THR HA 1 28 THR MG 2.900 . 4.400 2.193 2.170 2.207 . 0 0 "[ . 1 . 2]" 1
398 1 30 TRP HZ2 1 47 PRO HA 3.500 . 3.500 2.486 2.140 3.314 . 0 0 "[ . 1 . 2]" 1
399 1 35 LEU HA 1 35 LEU QD 2.900 . 4.600 2.275 1.846 2.940 . 0 0 "[ . 1 . 2]" 1
400 1 20 TYR QD 1 35 LEU QD 5.000 . 9.400 4.807 3.311 6.215 . 0 0 "[ . 1 . 2]" 1
401 1 50 TYR QD 1 51 PRO QB 3.500 . 6.500 5.075 3.928 5.402 . 0 0 "[ . 1 . 2]" 1
402 1 28 THR MG 1 50 TYR QD 2.900 . 6.400 2.918 2.028 3.220 . 0 0 "[ . 1 . 2]" 1
403 1 26 LYS QG 1 50 TYR QE 5.000 . 8.000 3.143 2.169 4.683 . 0 0 "[ . 1 . 2]" 1
404 1 26 LYS QD 1 50 TYR QE 5.000 . 9.400 4.186 2.186 5.626 . 0 0 "[ . 1 . 2]" 1
405 1 26 LYS HA 1 50 TYR QE 3.500 . 5.500 2.220 2.144 2.846 . 0 0 "[ . 1 . 2]" 1
406 1 26 LYS HA 1 50 TYR QD 3.500 . 5.500 3.940 3.711 4.346 . 0 0 "[ . 1 . 2]" 1
407 1 28 THR MG 1 50 TYR QE 5.000 . 8.500 4.177 3.543 4.495 . 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 12
_Distance_constraint_stats_list.Viol_count 73
_Distance_constraint_stats_list.Viol_total 51.891
_Distance_constraint_stats_list.Viol_max 0.101
_Distance_constraint_stats_list.Viol_rms 0.0223
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0108
_Distance_constraint_stats_list.Viol_average_violations_only 0.0355
_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 GLU 0.625 0.082 16 0 "[ . 1 . 2]"
1 11 ALA 0.107 0.020 11 0 "[ . 1 . 2]"
1 19 TYR 0.107 0.020 11 0 "[ . 1 . 2]"
1 20 TYR 1.862 0.101 20 0 "[ . 1 . 2]"
1 21 ILE 0.625 0.082 16 0 "[ . 1 . 2]"
1 29 SER 1.862 0.101 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 9 GLU O 1 21 ILE H 2.200 . 2.200 1.797 1.718 1.892 0.082 16 0 "[ . 1 . 2]" 2
2 1 9 GLU O 1 21 ILE N 3.300 2.200 3.300 2.751 2.672 2.848 . 0 0 "[ . 1 . 2]" 2
3 1 11 ALA O 1 19 TYR H 2.200 . 2.200 1.883 1.786 2.119 0.014 15 0 "[ . 1 . 2]" 2
4 1 11 ALA O 1 19 TYR N 3.300 2.200 3.300 2.754 2.666 2.933 . 0 0 "[ . 1 . 2]" 2
5 1 9 GLU H 1 21 ILE O 2.200 . 2.200 1.797 1.776 1.857 0.024 20 0 "[ . 1 . 2]" 2
6 1 9 GLU N 1 21 ILE O 3.300 2.200 3.300 2.673 2.631 2.716 . 0 0 "[ . 1 . 2]" 2
7 1 11 ALA H 1 19 TYR O 2.200 . 2.200 1.858 1.780 2.139 0.020 11 0 "[ . 1 . 2]" 2
8 1 11 ALA N 1 19 TYR O 3.300 2.200 3.300 2.784 2.647 2.969 . 0 0 "[ . 1 . 2]" 2
9 1 20 TYR H 1 29 SER O 2.200 . 2.200 1.773 1.734 1.826 0.066 1 0 "[ . 1 . 2]" 2
10 1 20 TYR N 1 29 SER O 3.300 2.200 3.300 2.619 2.536 2.669 . 0 0 "[ . 1 . 2]" 2
11 1 20 TYR O 1 29 SER H 2.200 . 2.200 1.735 1.699 1.766 0.101 20 0 "[ . 1 . 2]" 2
12 1 20 TYR O 1 29 SER N 3.300 2.200 3.300 2.592 2.535 2.636 . 0 0 "[ . 1 . 2]" 2
stop_
save_
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