NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
545863 |
2lm3   |
18097 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lm3
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 180
_Distance_constraint_stats_list.Viol_count 197
_Distance_constraint_stats_list.Viol_total 268.423
_Distance_constraint_stats_list.Viol_max 0.747
_Distance_constraint_stats_list.Viol_rms 0.0566
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0149
_Distance_constraint_stats_list.Viol_average_violations_only 0.1363
_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 37 ASN 0.052 0.052 4 0 "[ . 1]"
1 38 PRO 2.227 0.358 5 0 "[ . 1]"
1 39 GLN 0.902 0.358 5 0 "[ . 1]"
1 40 ILE 5.945 0.339 6 0 "[ . 1]"
1 41 MET 0.771 0.292 6 0 "[ . 1]"
1 42 TYR 2.000 0.339 6 0 "[ . 1]"
1 43 GLN 2.614 0.223 10 0 "[ . 1]"
1 44 ALA 3.159 0.223 10 0 "[ . 1]"
1 45 PRO 0.779 0.140 9 0 "[ . 1]"
1 46 GLY 0.000 0.000 . 0 "[ . 1]"
1 47 THR 4.108 0.747 5 3 "[ - + * 1]"
1 48 LEU 2.222 0.268 3 0 "[ . 1]"
1 49 PHE 7.296 0.747 5 3 "[ - + * 1]"
1 50 THR 2.341 0.181 1 0 "[ . 1]"
1 51 PHE 5.129 0.384 1 0 "[ . 1]"
1 52 PRO 3.435 0.384 1 0 "[ . 1]"
1 53 SER 0.000 0.000 . 0 "[ . 1]"
1 54 LEU 2.864 0.232 10 0 "[ . 1]"
1 55 THR 1.187 0.113 3 0 "[ . 1]"
1 56 ASN 1.247 0.200 8 0 "[ . 1]"
1 57 PHE 0.656 0.200 8 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 37 ASN HA 1 38 PRO QD 3.000 . 3.300 2.318 1.856 3.352 0.052 4 0 "[ . 1]" 1
2 1 38 PRO HA 1 38 PRO QD 4.000 . 6.000 3.224 2.988 3.496 . 0 0 "[ . 1]" 1
3 1 38 PRO HA 1 39 GLN H 4.000 . 5.000 2.800 2.447 3.429 . 0 0 "[ . 1]" 1
4 1 38 PRO HA 1 40 ILE HA 4.000 . 6.000 6.170 6.058 6.299 0.299 4 0 "[ . 1]" 1
5 1 38 PRO QB 1 39 GLN H 3.000 . 3.300 2.003 1.442 2.438 0.358 5 0 "[ . 1]" 1
6 1 38 PRO QB 1 39 GLN QB 4.000 . 5.000 3.539 3.245 4.009 . 0 0 "[ . 1]" 1
7 1 38 PRO QD 1 39 GLN H 4.000 . 6.000 4.545 3.029 4.931 . 0 0 "[ . 1]" 1
8 1 39 GLN H 1 39 GLN QB 3.000 . 3.300 2.547 2.387 2.789 . 0 0 "[ . 1]" 1
9 1 39 GLN H 1 39 GLN QG 3.000 . 3.300 2.300 1.804 3.121 . 0 0 "[ . 1]" 1
10 1 39 GLN H 1 40 ILE H 4.000 . 6.000 2.893 1.842 3.468 . 0 0 "[ . 1]" 1
11 1 39 GLN H 1 40 ILE MD 4.000 . 6.000 4.701 4.123 4.954 . 0 0 "[ . 1]" 1
12 1 39 GLN H 1 42 TYR H 4.000 . 5.000 4.926 4.605 5.074 0.074 8 0 "[ . 1]" 1
13 1 39 GLN HA 1 40 ILE H 4.000 . 5.000 3.524 3.447 3.565 . 0 0 "[ . 1]" 1
14 1 39 GLN QB 1 40 ILE H 4.000 . 6.000 2.382 1.961 3.156 . 0 0 "[ . 1]" 1
15 1 39 GLN QB 1 40 ILE HA 4.000 . 6.000 4.400 4.216 4.807 . 0 0 "[ . 1]" 1
16 1 39 GLN QB 1 40 ILE MD 4.000 . 6.000 3.122 2.519 4.086 . 0 0 "[ . 1]" 1
17 1 39 GLN QB 1 40 ILE MG 4.000 . 6.000 2.796 2.067 3.713 . 0 0 "[ . 1]" 1
18 1 39 GLN QG 1 40 ILE H 4.000 . 6.000 3.534 1.635 4.233 0.165 5 0 "[ . 1]" 1
19 1 40 ILE H 1 40 ILE HB 4.000 . 6.000 3.896 3.734 4.004 . 0 0 "[ . 1]" 1
20 1 40 ILE H 1 40 ILE MD 4.000 . 6.000 2.318 1.711 3.407 0.089 3 0 "[ . 1]" 1
21 1 40 ILE H 1 40 ILE QG 4.000 . 6.000 3.496 2.702 4.279 . 0 0 "[ . 1]" 1
22 1 40 ILE H 1 40 ILE MG 4.000 . 6.000 2.958 2.306 3.647 . 0 0 "[ . 1]" 1
23 1 40 ILE H 1 41 MET H 4.000 . 6.000 1.994 1.508 2.539 0.292 6 0 "[ . 1]" 1
24 1 40 ILE H 1 41 MET QB 4.000 . 6.000 4.304 4.014 4.561 . 0 0 "[ . 1]" 1
25 1 40 ILE H 1 42 TYR QB 4.000 . 6.000 4.838 4.273 5.422 . 0 0 "[ . 1]" 1
26 1 40 ILE HA 1 41 MET H 4.000 . 5.000 2.934 2.637 3.344 . 0 0 "[ . 1]" 1
27 1 40 ILE HA 1 41 MET QB 4.000 . 6.000 3.583 3.510 3.638 . 0 0 "[ . 1]" 1
28 1 40 ILE HA 1 41 MET QG 4.000 . 6.000 5.618 5.581 5.714 . 0 0 "[ . 1]" 1
29 1 40 ILE HA 1 43 GLN QG 4.000 . 6.000 5.036 4.687 5.386 . 0 0 "[ . 1]" 1
30 1 40 ILE HA 1 44 ALA H 4.000 . 5.000 5.087 4.902 5.210 0.210 10 0 "[ . 1]" 1
31 1 40 ILE HB 1 40 ILE MD 3.000 . 3.300 2.809 2.341 3.159 . 0 0 "[ . 1]" 1
32 1 40 ILE MD 1 41 MET HA 4.000 . 5.000 4.055 3.819 4.185 . 0 0 "[ . 1]" 1
33 1 40 ILE MD 1 41 MET QB 4.000 . 5.000 3.350 2.839 3.564 . 0 0 "[ . 1]" 1
34 1 40 ILE MD 1 42 TYR H 4.000 . 5.000 1.618 1.461 1.730 0.339 6 0 "[ . 1]" 1
35 1 40 ILE MD 1 43 GLN H 4.000 . 6.000 1.890 1.657 2.250 0.143 7 0 "[ . 1]" 1
36 1 40 ILE MD 1 43 GLN HA 4.000 . 6.000 4.172 3.896 4.393 . 0 0 "[ . 1]" 1
37 1 40 ILE MD 1 43 GLN QB 4.000 . 6.000 4.073 3.645 4.288 . 0 0 "[ . 1]" 1
38 1 40 ILE QG 1 40 ILE MG 3.000 . 3.300 2.127 1.977 2.393 . 0 0 "[ . 1]" 1
39 1 40 ILE QG 1 43 GLN H 4.000 . 6.000 3.667 2.838 4.379 . 0 0 "[ . 1]" 1
40 1 40 ILE QG 1 43 GLN QG 4.000 . 6.000 4.023 3.111 4.695 . 0 0 "[ . 1]" 1
41 1 40 ILE QG 1 49 PHE HA 4.000 . 6.000 4.735 3.775 5.264 . 0 0 "[ . 1]" 1
42 1 40 ILE MG 1 41 MET QB 4.000 . 6.000 4.644 4.502 4.882 . 0 0 "[ . 1]" 1
43 1 40 ILE MG 1 42 TYR H 4.000 . 6.000 3.849 2.450 4.645 . 0 0 "[ . 1]" 1
44 1 40 ILE MG 1 42 TYR HA 4.000 . 6.000 4.676 3.395 5.411 . 0 0 "[ . 1]" 1
45 1 40 ILE MG 1 43 GLN H 4.000 . 6.000 4.836 4.379 5.084 . 0 0 "[ . 1]" 1
46 1 41 MET H 1 42 TYR H 4.000 . 6.000 2.514 2.347 2.610 . 0 0 "[ . 1]" 1
47 1 41 MET H 1 43 GLN H 4.000 . 5.000 4.403 4.201 4.552 . 0 0 "[ . 1]" 1
48 1 41 MET HA 1 42 TYR H 4.000 . 5.000 3.125 3.067 3.201 . 0 0 "[ . 1]" 1
49 1 41 MET HA 1 42 TYR QD 4.000 . 6.000 4.845 3.502 5.693 . 0 0 "[ . 1]" 1
50 1 41 MET QB 1 42 TYR H 4.000 . 5.000 3.531 3.407 3.619 . 0 0 "[ . 1]" 1
51 1 41 MET QB 1 42 TYR HA 4.000 . 6.000 4.924 4.872 5.052 . 0 0 "[ . 1]" 1
52 1 41 MET QB 1 43 GLN QB 4.000 . 6.000 2.658 2.321 3.336 . 0 0 "[ . 1]" 1
53 1 41 MET QB 1 49 PHE HA 4.000 . 6.000 5.445 4.899 5.564 . 0 0 "[ . 1]" 1
54 1 41 MET QG 1 42 TYR H 4.000 . 6.000 4.439 4.308 4.519 . 0 0 "[ . 1]" 1
55 1 41 MET QG 1 43 GLN H 4.000 . 6.000 3.669 3.346 3.903 . 0 0 "[ . 1]" 1
56 1 41 MET QG 1 43 GLN QB 3.000 . 3.300 2.347 2.087 2.492 . 0 0 "[ . 1]" 1
57 1 42 TYR H 1 42 TYR QD 4.000 . 5.000 3.887 2.847 4.501 . 0 0 "[ . 1]" 1
58 1 42 TYR HA 1 42 TYR QD 4.000 . 5.000 2.834 2.305 3.682 . 0 0 "[ . 1]" 1
59 1 42 TYR HA 1 43 GLN H 4.000 . 5.000 2.964 2.848 3.154 . 0 0 "[ . 1]" 1
60 1 42 TYR HA 1 43 GLN HA 4.000 . 6.000 4.538 4.476 4.618 . 0 0 "[ . 1]" 1
61 1 42 TYR QD 1 43 GLN H 4.000 . 6.000 4.537 4.191 4.813 . 0 0 "[ . 1]" 1
62 1 43 GLN H 1 44 ALA H 4.000 . 5.000 2.028 1.791 2.180 0.009 6 0 "[ . 1]" 1
63 1 43 GLN H 1 48 LEU HA 4.000 . 6.000 5.728 5.313 6.118 0.118 10 0 "[ . 1]" 1
64 1 43 GLN HA 1 44 ALA H 3.000 . 3.300 3.489 3.441 3.523 0.223 10 0 "[ . 1]" 1
65 1 43 GLN HA 1 44 ALA MB 4.000 . 6.000 4.418 4.259 4.594 . 0 0 "[ . 1]" 1
66 1 43 GLN HA 1 45 PRO HA 4.000 . 6.000 5.897 5.690 6.032 0.032 4 0 "[ . 1]" 1
67 1 43 GLN QB 1 44 ALA H 4.000 . 5.000 3.367 3.180 3.575 . 0 0 "[ . 1]" 1
68 1 43 GLN QG 1 44 ALA H 4.000 . 5.000 1.890 1.642 2.251 0.158 10 0 "[ . 1]" 1
69 1 43 GLN QG 1 48 LEU HA 4.000 . 6.000 4.923 4.638 5.482 . 0 0 "[ . 1]" 1
70 1 44 ALA H 1 44 ALA MB 3.000 . 3.300 2.634 2.490 2.750 . 0 0 "[ . 1]" 1
71 1 44 ALA H 1 45 PRO QD 4.000 . 5.000 3.170 2.829 3.625 . 0 0 "[ . 1]" 1
72 1 44 ALA HA 1 45 PRO QD 3.000 . 3.300 2.001 1.903 2.050 . 0 0 "[ . 1]" 1
73 1 44 ALA HA 1 45 PRO QG 4.000 . 6.000 3.929 3.833 3.980 . 0 0 "[ . 1]" 1
74 1 44 ALA MB 1 45 PRO QD 4.000 . 5.000 3.295 3.044 3.386 . 0 0 "[ . 1]" 1
75 1 44 ALA MB 1 47 THR HB 4.000 . 6.000 5.179 4.903 5.542 . 0 0 "[ . 1]" 1
76 1 45 PRO HA 1 45 PRO QD 4.000 . 6.000 3.462 3.431 3.505 . 0 0 "[ . 1]" 1
77 1 45 PRO HA 1 46 GLY H 4.000 . 6.000 2.958 2.759 3.122 . 0 0 "[ . 1]" 1
78 1 45 PRO HA 1 47 THR H 4.000 . 5.000 4.903 3.775 5.140 0.140 9 0 "[ . 1]" 1
79 1 45 PRO QB 1 51 PHE H 4.000 2.800 6.000 4.794 4.361 5.643 . 0 0 "[ . 1]" 1
80 1 45 PRO QD 1 46 GLY H 4.000 . 6.000 3.297 2.947 3.669 . 0 0 "[ . 1]" 1
81 1 45 PRO QD 1 46 GLY QA 4.000 . 6.000 4.611 4.410 4.773 . 0 0 "[ . 1]" 1
82 1 45 PRO QD 1 47 THR H 4.000 . 5.000 3.461 2.285 4.000 . 0 0 "[ . 1]" 1
83 1 45 PRO QD 1 48 LEU MD2 4.000 . 6.000 4.266 4.094 4.426 . 0 0 "[ . 1]" 1
84 1 46 GLY H 1 48 LEU H 4.000 . 6.000 3.615 2.779 4.491 . 0 0 "[ . 1]" 1
85 1 46 GLY QA 1 47 THR HA 4.000 . 6.000 4.002 3.980 4.054 . 0 0 "[ . 1]" 1
86 1 46 GLY QA 1 48 LEU H 4.000 . 5.000 4.143 3.595 4.688 . 0 0 "[ . 1]" 1
87 1 46 GLY QA 1 48 LEU HA 4.000 . 6.000 5.437 5.324 5.517 . 0 0 "[ . 1]" 1
88 1 47 THR H 1 47 THR MG 4.000 . 5.000 3.747 3.613 3.843 . 0 0 "[ . 1]" 1
89 1 47 THR H 1 48 LEU H 4.000 . 5.000 2.714 1.738 3.330 0.062 4 0 "[ . 1]" 1
90 1 47 THR HA 1 48 LEU H 4.000 . 5.000 3.140 2.355 3.484 . 0 0 "[ . 1]" 1
91 1 47 THR HA 1 48 LEU MD2 4.000 . 5.000 2.668 2.032 3.432 . 0 0 "[ . 1]" 1
92 1 47 THR HA 1 49 PHE H 4.000 . 5.000 5.213 4.323 5.747 0.747 5 3 "[ - + * 1]" 1
93 1 47 THR HA 1 50 THR H 4.000 . 6.000 5.181 4.147 6.033 0.033 10 0 "[ . 1]" 1
94 1 47 THR HB 1 48 LEU H 4.000 . 5.000 2.948 1.779 4.197 0.021 3 0 "[ . 1]" 1
95 1 47 THR HB 1 48 LEU HA 4.000 . 6.000 4.860 4.225 5.572 . 0 0 "[ . 1]" 1
96 1 47 THR HB 1 49 PHE QD 4.000 . 6.000 5.045 4.385 5.718 . 0 0 "[ . 1]" 1
97 1 47 THR MG 1 48 LEU H 4.000 . 5.000 3.728 3.423 4.048 . 0 0 "[ . 1]" 1
98 1 47 THR MG 1 48 LEU HA 4.000 . 6.000 5.028 4.907 5.229 . 0 0 "[ . 1]" 1
99 1 47 THR MG 1 48 LEU MD2 4.000 . 6.000 2.804 1.969 3.964 . 0 0 "[ . 1]" 1
100 1 48 LEU H 1 48 LEU QB 3.000 . 3.300 3.254 3.129 3.347 0.047 8 0 "[ . 1]" 1
101 1 48 LEU H 1 48 LEU MD2 4.000 . 5.000 2.002 1.555 2.816 0.245 6 0 "[ . 1]" 1
102 1 48 LEU HA 1 48 LEU MD2 3.000 . 3.300 2.628 1.915 3.186 . 0 0 "[ . 1]" 1
103 1 48 LEU HA 1 49 PHE QB 4.000 . 6.000 5.419 5.110 5.528 . 0 0 "[ . 1]" 1
104 1 48 LEU QB 1 49 PHE H 2.500 . 2.700 2.003 1.647 2.637 0.153 1 0 "[ . 1]" 1
105 1 48 LEU QB 1 49 PHE HA 4.000 . 6.000 3.917 3.684 4.154 . 0 0 "[ . 1]" 1
106 1 48 LEU QB 1 50 THR MG 4.000 . 5.000 3.889 3.326 4.173 . 0 0 "[ . 1]" 1
107 1 48 LEU MD1 1 49 PHE H 4.000 . 6.000 3.718 3.057 4.249 . 0 0 "[ . 1]" 1
108 1 48 LEU MD2 1 49 PHE H 4.000 . 6.000 3.101 1.532 4.029 0.268 3 0 "[ . 1]" 1
109 1 48 LEU MD2 1 50 THR HA 4.000 . 6.000 4.691 3.383 5.659 . 0 0 "[ . 1]" 1
110 1 49 PHE H 1 49 PHE HA 2.500 . 2.700 2.843 2.752 2.901 0.201 10 0 "[ . 1]" 1
111 1 49 PHE H 1 49 PHE QB 3.000 . 3.300 2.697 2.255 3.107 . 0 0 "[ . 1]" 1
112 1 49 PHE H 1 49 PHE QD 4.000 . 5.000 2.736 2.013 4.155 . 0 0 "[ . 1]" 1
113 1 49 PHE H 1 50 THR H 4.000 . 6.000 2.282 1.928 2.558 . 0 0 "[ . 1]" 1
114 1 49 PHE HA 1 49 PHE QD 4.000 . 5.000 2.809 2.171 3.483 . 0 0 "[ . 1]" 1
115 1 49 PHE HA 1 50 THR H 3.000 . 3.300 3.406 3.317 3.453 0.153 8 0 "[ . 1]" 1
116 1 49 PHE HA 1 51 PHE HA 4.000 . 6.000 5.996 5.858 6.243 0.243 4 0 "[ . 1]" 1
117 1 49 PHE QB 1 50 THR H 4.000 . 6.000 2.359 1.992 2.962 . 0 0 "[ . 1]" 1
118 1 49 PHE QB 1 50 THR HA 4.000 . 6.000 4.000 3.736 4.511 . 0 0 "[ . 1]" 1
119 1 49 PHE QB 1 50 THR MG 4.000 . 6.000 4.342 4.121 4.442 . 0 0 "[ . 1]" 1
120 1 49 PHE QB 1 51 PHE H 4.000 . 5.000 4.738 4.571 4.846 . 0 0 "[ . 1]" 1
121 1 50 THR H 1 50 THR HB 4.000 . 5.000 4.051 4.023 4.090 . 0 0 "[ . 1]" 1
122 1 50 THR H 1 50 THR MG 4.000 . 5.000 2.649 2.526 2.801 . 0 0 "[ . 1]" 1
123 1 50 THR H 1 51 PHE H 4.000 . 5.000 4.090 3.966 4.143 . 0 0 "[ . 1]" 1
124 1 50 THR HA 1 50 THR HB 3.000 . 3.300 2.595 2.507 2.665 . 0 0 "[ . 1]" 1
125 1 50 THR HA 1 51 PHE H 3.000 . 3.300 3.180 3.126 3.225 . 0 0 "[ . 1]" 1
126 1 50 THR HA 1 51 PHE HA 4.000 . 6.000 4.924 4.885 4.964 . 0 0 "[ . 1]" 1
127 1 50 THR HA 1 51 PHE QE 4.000 . 6.000 3.609 3.332 4.420 . 0 0 "[ . 1]" 1
128 1 50 THR HB 1 51 PHE H 3.000 . 3.300 1.676 1.619 1.756 0.181 1 0 "[ . 1]" 1
129 1 50 THR HB 1 51 PHE QE 4.000 . 6.000 3.050 2.638 3.294 . 0 0 "[ . 1]" 1
130 1 50 THR HB 1 52 PRO QB 4.000 . 6.000 5.647 5.587 5.695 . 0 0 "[ . 1]" 1
131 1 50 THR MG 1 51 PHE H 3.000 . 3.300 3.167 3.122 3.196 . 0 0 "[ . 1]" 1
132 1 50 THR MG 1 51 PHE QE 4.000 . 5.000 3.125 2.829 3.475 . 0 0 "[ . 1]" 1
133 1 50 THR MG 1 52 PRO HA 4.000 . 6.000 4.940 4.826 5.069 . 0 0 "[ . 1]" 1
134 1 51 PHE H 1 51 PHE QB 4.000 2.800 5.000 3.370 3.338 3.402 . 0 0 "[ . 1]" 1
135 1 51 PHE H 1 51 PHE QD 4.000 . 5.000 2.895 1.870 3.222 . 0 0 "[ . 1]" 1
136 1 51 PHE H 1 51 PHE QE 4.000 . 5.000 4.193 3.669 4.427 . 0 0 "[ . 1]" 1
137 1 51 PHE H 1 52 PRO HA 4.000 . 5.000 3.679 3.654 3.723 . 0 0 "[ . 1]" 1
138 1 51 PHE H 1 52 PRO QD 4.000 2.800 5.000 2.456 2.416 2.509 0.384 1 0 "[ . 1]" 1
139 1 51 PHE QB 1 51 PHE QE 4.000 . 6.000 3.983 3.976 4.022 . 0 0 "[ . 1]" 1
140 1 51 PHE QB 1 52 PRO HD3 4.000 . 6.000 4.804 4.773 4.841 . 0 0 "[ . 1]" 1
141 1 51 PHE QE 1 53 SER HA 4.000 . 6.000 4.710 4.498 5.624 . 0 0 "[ . 1]" 1
142 1 52 PRO HA 1 52 PRO QD 3.000 . 3.300 2.935 2.872 2.983 . 0 0 "[ . 1]" 1
143 1 52 PRO HA 1 53 SER H 4.000 . 6.000 2.298 2.176 2.393 . 0 0 "[ . 1]" 1
144 1 52 PRO HA 1 53 SER HA 4.000 . 5.000 4.496 4.393 4.570 . 0 0 "[ . 1]" 1
145 1 52 PRO HA 1 54 LEU QD 4.000 . 6.000 2.691 2.162 3.729 . 0 0 "[ . 1]" 1
146 1 52 PRO QB 1 53 SER HA 4.000 . 6.000 4.612 4.470 4.793 . 0 0 "[ . 1]" 1
147 1 52 PRO QB 1 54 LEU HA 4.000 . 6.000 5.439 5.223 5.542 . 0 0 "[ . 1]" 1
148 1 52 PRO QB 1 55 THR HB 4.000 . 6.000 5.094 4.869 5.368 . 0 0 "[ . 1]" 1
149 1 52 PRO QB 1 56 ASN HA 4.000 . 6.000 3.410 3.139 4.126 . 0 0 "[ . 1]" 1
150 1 52 PRO QB 1 56 ASN QB 4.000 . 6.000 4.588 4.491 4.729 . 0 0 "[ . 1]" 1
151 1 53 SER HA 1 54 LEU H 4.000 . 5.000 3.392 3.295 3.446 . 0 0 "[ . 1]" 1
152 1 53 SER HA 1 54 LEU QD 4.000 . 6.000 4.200 3.678 4.663 . 0 0 "[ . 1]" 1
153 1 53 SER HA 1 54 LEU HG 4.000 . 6.000 4.664 4.242 5.842 . 0 0 "[ . 1]" 1
154 1 53 SER HA 1 55 THR MG 4.000 . 6.000 4.845 4.718 4.986 . 0 0 "[ . 1]" 1
155 1 53 SER HA 1 57 PHE QB 4.000 . 6.000 5.553 5.405 5.691 . 0 0 "[ . 1]" 1
156 1 53 SER QB 1 54 LEU H 4.000 . 5.000 3.567 3.384 3.707 . 0 0 "[ . 1]" 1
157 1 53 SER QB 1 55 THR H 4.000 . 5.000 4.383 4.287 4.530 . 0 0 "[ . 1]" 1
158 1 53 SER QB 1 56 ASN HA 4.000 . 6.000 5.497 5.407 5.597 . 0 0 "[ . 1]" 1
159 1 54 LEU H 1 54 LEU QD 4.000 . 6.000 2.193 1.739 2.663 0.061 7 0 "[ . 1]" 1
160 1 54 LEU H 1 54 LEU HG 4.000 . 5.000 1.959 1.656 3.655 0.144 4 0 "[ . 1]" 1
161 1 54 LEU HA 1 54 LEU QD 4.000 . 5.000 3.310 3.233 3.416 . 0 0 "[ . 1]" 1
162 1 54 LEU HA 1 54 LEU HG 3.000 . 3.300 3.472 3.417 3.532 0.232 10 0 "[ . 1]" 1
163 1 54 LEU HA 1 55 THR H 3.000 . 3.300 3.321 3.227 3.378 0.078 8 0 "[ . 1]" 1
164 1 54 LEU HA 1 55 THR MG 4.000 . 6.000 4.882 4.765 5.024 . 0 0 "[ . 1]" 1
165 1 54 LEU QB 1 55 THR MG 4.000 . 6.000 3.847 3.648 4.098 . 0 0 "[ . 1]" 1
166 1 54 LEU QD 1 55 THR H 4.000 . 5.000 2.429 1.687 3.158 0.113 3 0 "[ . 1]" 1
167 1 54 LEU QD 1 55 THR HB 4.000 . 5.000 2.654 2.194 3.271 . 0 0 "[ . 1]" 1
168 1 54 LEU QD 1 56 ASN HA 4.000 . 6.000 4.142 3.713 4.602 . 0 0 "[ . 1]" 1
169 1 54 LEU HG 1 55 THR H 4.000 . 5.000 2.818 2.164 3.682 . 0 0 "[ . 1]" 1
170 1 55 THR H 1 55 THR HA 3.000 . 3.300 2.822 2.794 2.867 . 0 0 "[ . 1]" 1
171 1 55 THR H 1 55 THR MG 4.000 . 5.000 2.575 2.281 2.772 . 0 0 "[ . 1]" 1
172 1 55 THR H 1 56 ASN H 4.000 . 6.000 1.741 1.702 1.771 0.098 7 0 "[ . 1]" 1
173 1 55 THR HA 1 55 THR MG 3.000 . 3.300 3.127 3.111 3.143 . 0 0 "[ . 1]" 1
174 1 55 THR HA 1 56 ASN H 4.000 . 6.000 3.328 2.950 3.489 . 0 0 "[ . 1]" 1
175 1 55 THR HA 1 57 PHE QB 4.000 . 6.000 5.234 4.890 5.395 . 0 0 "[ . 1]" 1
176 1 56 ASN H 1 57 PHE H 4.000 . 5.000 4.431 3.867 4.589 . 0 0 "[ . 1]" 1
177 1 56 ASN HA 1 57 PHE H 4.000 . 5.000 2.810 2.553 3.414 . 0 0 "[ . 1]" 1
178 1 56 ASN QB 1 57 PHE H 4.000 . 5.000 1.768 1.600 1.933 0.200 8 0 "[ . 1]" 1
179 1 56 ASN QB 1 57 PHE QB 3.000 . 3.300 2.779 2.593 2.925 . 0 0 "[ . 1]" 1
180 1 57 PHE H 1 57 PHE QD 4.000 . 5.000 4.144 3.907 4.352 . 0 0 "[ . 1]" 1
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