NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
650035 |
6nm2   |
30557 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6nm2
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 205
_Distance_constraint_stats_list.Viol_count 141
_Distance_constraint_stats_list.Viol_total 74.484
_Distance_constraint_stats_list.Viol_max 0.249
_Distance_constraint_stats_list.Viol_rms 0.0437
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0145
_Distance_constraint_stats_list.Viol_average_violations_only 0.1057
_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 TRP 1.852 0.144 2 0 "[ .]"
1 2 TRP 4.589 0.249 2 0 "[ .]"
1 3 TRP 5.631 0.239 5 0 "[ .]"
1 4 LEU 2.897 0.174 5 0 "[ .]"
1 5 ARG 2.537 0.210 3 0 "[ .]"
1 6 LYS 0.000 0.000 . 0 "[ .]"
1 7 ILE 1.552 0.109 2 0 "[ .]"
1 8 TRP 2.934 0.186 2 0 "[ .]"
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 TRP HA 1 1 TRP HD1 3.000 . 3.800 3.541 3.510 3.594 . 0 0 "[ .]" 1
2 1 1 TRP HA 1 1 TRP HE1 4.000 . 6.000 5.178 5.147 5.236 . 0 0 "[ .]" 1
3 1 1 TRP HA 1 1 TRP HZ3 4.000 . 6.000 6.140 6.135 6.144 0.144 2 0 "[ .]" 1
4 1 1 TRP HA 1 2 TRP HD1 4.000 . 6.000 3.437 3.372 3.543 . 0 0 "[ .]" 1
5 1 1 TRP HA 1 3 TRP HD1 4.000 . 5.000 4.696 4.659 4.739 . 0 0 "[ .]" 1
6 1 1 TRP HA 1 3 TRP HE1 4.000 . 6.000 4.232 4.156 4.313 . 0 0 "[ .]" 1
7 1 1 TRP QB 1 1 TRP HZ3 4.000 . 6.000 4.931 4.915 4.954 . 0 0 "[ .]" 1
8 1 1 TRP HB2 1 3 TRP HD1 4.000 . 6.000 4.121 4.055 4.177 . 0 0 "[ .]" 1
9 1 1 TRP HB2 1 3 TRP HE1 4.000 . 5.000 3.709 3.624 3.760 . 0 0 "[ .]" 1
10 1 1 TRP HB2 1 4 LEU H 4.000 . 5.000 2.520 2.488 2.550 . 0 0 "[ .]" 1
11 1 1 TRP HB2 1 4 LEU HB2 4.000 . 5.000 1.991 1.922 2.057 . 0 0 "[ .]" 1
12 1 1 TRP HB2 1 4 LEU HB3 4.000 . 6.000 3.314 3.137 3.510 . 0 0 "[ .]" 1
13 1 1 TRP HB2 1 4 LEU MD1 4.000 . 5.500 3.947 3.884 3.982 . 0 0 "[ .]" 1
14 1 1 TRP HB2 1 4 LEU MD2 3.000 . 4.800 2.959 2.904 2.995 . 0 0 "[ .]" 1
15 1 1 TRP HB3 1 3 TRP H 4.000 . 5.000 2.851 2.810 2.908 . 0 0 "[ .]" 1
16 1 1 TRP HB3 1 3 TRP HD1 4.000 . 6.000 2.811 2.791 2.845 . 0 0 "[ .]" 1
17 1 1 TRP HB3 1 3 TRP HE1 4.000 . 6.000 2.311 2.221 2.382 . 0 0 "[ .]" 1
18 1 1 TRP HB3 1 3 TRP HZ2 4.000 . 5.000 4.369 4.297 4.420 . 0 0 "[ .]" 1
19 1 1 TRP HB3 1 4 LEU H 4.000 . 5.000 3.117 3.056 3.206 . 0 0 "[ .]" 1
20 1 1 TRP HB3 1 4 LEU HB2 3.000 . 4.300 3.362 3.256 3.503 . 0 0 "[ .]" 1
21 1 1 TRP HB3 1 4 LEU HB3 4.000 . 6.000 4.933 4.765 5.140 . 0 0 "[ .]" 1
22 1 1 TRP HB3 1 4 LEU MD1 4.000 . 6.500 4.499 4.469 4.545 . 0 0 "[ .]" 1
23 1 1 TRP HB3 1 4 LEU MD2 3.000 . 4.800 3.836 3.818 3.847 . 0 0 "[ .]" 1
24 1 1 TRP HD1 1 3 TRP H 4.000 . 5.000 4.977 4.933 5.038 0.038 2 0 "[ .]" 1
25 1 1 TRP HD1 1 3 TRP HD1 4.000 . 5.000 4.111 4.075 4.159 . 0 0 "[ .]" 1
26 1 1 TRP HD1 1 3 TRP HE1 4.000 . 6.000 1.810 1.794 1.843 0.006 2 0 "[ .]" 1
27 1 1 TRP HD1 1 4 LEU H 4.000 . 5.000 5.116 5.101 5.121 0.121 1 0 "[ .]" 1
28 1 1 TRP HD1 1 4 LEU HB2 4.000 . 5.000 4.797 4.698 4.930 . 0 0 "[ .]" 1
29 1 1 TRP HD1 1 4 LEU MD1 4.000 . 6.500 4.888 4.806 4.985 . 0 0 "[ .]" 1
30 1 1 TRP HD1 1 4 LEU MD2 4.000 . 5.500 3.954 3.936 3.980 . 0 0 "[ .]" 1
31 1 1 TRP HE3 1 2 TRP HA 4.000 . 6.000 5.859 5.744 5.956 . 0 0 "[ .]" 1
32 1 1 TRP HE3 1 3 TRP HE1 4.000 . 6.000 5.883 5.848 5.913 . 0 0 "[ .]" 1
33 1 1 TRP HE3 1 4 LEU HB3 3.000 . 3.800 3.488 3.329 3.673 . 0 0 "[ .]" 1
34 1 1 TRP HZ3 1 4 LEU HB2 3.000 . 5.000 5.103 5.096 5.112 0.112 5 0 "[ .]" 1
35 1 1 TRP HZ3 1 4 LEU HB3 4.000 . 5.000 4.884 4.798 5.005 0.005 2 0 "[ .]" 1
36 1 1 TRP HZ3 1 4 LEU MD2 3.000 . 3.800 2.964 2.947 2.978 . 0 0 "[ .]" 1
37 1 2 TRP HA 1 2 TRP HD1 3.000 . 4.200 4.369 4.355 4.402 0.202 2 0 "[ .]" 1
38 1 2 TRP HA 1 2 TRP HE3 3.000 . 3.800 3.992 3.930 4.021 0.221 1 0 "[ .]" 1
39 1 2 TRP HA 1 3 TRP H 3.000 . 3.500 3.519 3.514 3.526 0.026 2 0 "[ .]" 1
40 1 2 TRP HA 1 3 TRP HD1 4.000 . 5.000 5.033 5.023 5.038 0.038 1 0 "[ .]" 1
41 1 2 TRP HA 1 4 LEU H 4.000 . 5.000 4.047 3.978 4.163 . 0 0 "[ .]" 1
42 1 2 TRP HA 1 5 ARG H 3.000 . 3.500 3.576 3.519 3.608 0.108 1 0 "[ .]" 1
43 1 2 TRP HA 1 5 ARG HB2 4.000 . 6.000 4.920 4.580 5.030 . 0 0 "[ .]" 1
44 1 2 TRP HA 1 5 ARG QG 4.000 . 5.500 2.515 2.236 3.303 . 0 0 "[ .]" 1
45 1 2 TRP QB 1 2 TRP HZ3 4.000 . 6.000 4.779 4.772 4.798 . 0 0 "[ .]" 1
46 1 2 TRP QB 1 3 TRP H 3.000 . 4.800 3.390 3.376 3.404 . 0 0 "[ .]" 1
47 1 2 TRP HB2 1 2 TRP HD1 3.000 . 3.800 3.772 3.754 3.781 . 0 0 "[ .]" 1
48 1 2 TRP HB2 1 3 TRP HD1 4.000 . 6.000 4.863 4.848 4.894 . 0 0 "[ .]" 1
49 1 2 TRP HB3 1 2 TRP HE3 3.000 . 3.800 4.031 4.024 4.049 0.249 2 0 "[ .]" 1
50 1 2 TRP HD1 1 3 TRP H 3.000 . 3.800 3.493 3.482 3.509 . 0 0 "[ .]" 1
51 1 2 TRP HD1 1 3 TRP HD1 3.000 . 3.300 3.173 3.160 3.193 . 0 0 "[ .]" 1
52 1 2 TRP HD1 1 3 TRP HE1 4.000 . 6.000 4.432 4.390 4.474 . 0 0 "[ .]" 1
53 1 2 TRP HD1 1 4 LEU H 4.000 . 6.000 5.430 5.370 5.525 . 0 0 "[ .]" 1
54 1 2 TRP HE1 1 3 TRP H 3.000 . 3.800 3.892 3.856 3.904 0.104 4 0 "[ .]" 1
55 1 2 TRP HE1 1 3 TRP HD1 3.000 . 3.300 2.583 2.556 2.605 . 0 0 "[ .]" 1
56 1 2 TRP HE1 1 3 TRP HE1 4.000 . 6.000 4.080 4.011 4.210 . 0 0 "[ .]" 1
57 1 2 TRP HE1 1 4 LEU H 4.000 . 6.000 6.055 6.042 6.085 0.085 2 0 "[ .]" 1
58 1 2 TRP HE3 1 3 TRP QB 4.000 . 4.800 3.668 3.615 3.729 . 0 0 "[ .]" 1
59 1 2 TRP HE3 1 5 ARG QD 4.000 . 5.500 4.588 4.136 4.799 . 0 0 "[ .]" 1
60 1 2 TRP HE3 1 5 ARG QG 4.000 . 6.500 4.651 4.279 4.772 . 0 0 "[ .]" 1
61 1 2 TRP HE3 1 6 LYS QB 3.000 . 4.800 3.103 2.757 3.276 . 0 0 "[ .]" 1
62 1 2 TRP HE3 1 6 LYS QD 3.000 . 4.800 3.132 2.607 4.059 . 0 0 "[ .]" 1
63 1 2 TRP HE3 1 6 LYS QE 3.000 . 4.800 3.801 3.642 4.206 . 0 0 "[ .]" 1
64 1 2 TRP HE3 1 6 LYS QG 3.000 . 4.800 4.197 4.036 4.281 . 0 0 "[ .]" 1
65 1 2 TRP HH2 1 3 TRP HA 4.000 . 5.000 4.432 4.167 4.557 . 0 0 "[ .]" 1
66 1 2 TRP HH2 1 3 TRP HB2 4.000 . 5.000 4.321 4.220 4.391 . 0 0 "[ .]" 1
67 1 2 TRP HH2 1 3 TRP HB3 4.000 . 6.000 3.137 3.075 3.190 . 0 0 "[ .]" 1
68 1 2 TRP HH2 1 3 TRP HD1 4.000 . 5.000 5.052 5.025 5.105 0.105 2 0 "[ .]" 1
69 1 2 TRP HH2 1 6 LYS QD 4.000 . 6.500 4.307 4.128 4.594 . 0 0 "[ .]" 1
70 1 2 TRP HH2 1 6 LYS QE 4.000 . 5.500 3.054 3.031 3.080 . 0 0 "[ .]" 1
71 1 2 TRP HZ2 1 3 TRP QB 3.000 . 4.800 3.133 3.016 3.178 . 0 0 "[ .]" 1
72 1 2 TRP HZ2 1 3 TRP HB3 4.000 . 5.000 3.179 3.056 3.226 . 0 0 "[ .]" 1
73 1 2 TRP HZ2 1 3 TRP HD1 3.000 . 3.800 3.676 3.653 3.728 . 0 0 "[ .]" 1
74 1 2 TRP HZ2 1 6 LYS QE 4.000 . 5.500 4.759 4.598 4.989 . 0 0 "[ .]" 1
75 1 2 TRP HZ3 1 3 TRP HA 3.000 . 3.800 3.171 2.927 3.315 . 0 0 "[ .]" 1
76 1 2 TRP HZ3 1 3 TRP QB 3.000 . 4.800 3.342 3.296 3.371 . 0 0 "[ .]" 1
77 1 2 TRP HZ3 1 6 LYS QB 4.000 . 6.000 3.732 3.110 4.022 . 0 0 "[ .]" 1
78 1 2 TRP HZ3 1 6 LYS QD 3.000 . 4.800 2.402 2.105 3.331 . 0 0 "[ .]" 1
79 1 2 TRP HZ3 1 6 LYS QE 3.000 . 4.800 2.243 2.183 2.319 . 0 0 "[ .]" 1
80 1 2 TRP HZ3 1 6 LYS QG 3.000 . 4.800 3.740 2.883 4.085 . 0 0 "[ .]" 1
81 1 3 TRP H 1 3 TRP HB2 3.000 . 3.800 3.606 3.603 3.609 . 0 0 "[ .]" 1
82 1 3 TRP H 1 3 TRP HB3 3.000 . 3.800 2.782 2.761 2.802 . 0 0 "[ .]" 1
83 1 3 TRP H 1 3 TRP HD1 4.000 . 5.000 1.779 1.765 1.790 0.035 2 0 "[ .]" 1
84 1 3 TRP H 1 3 TRP HE1 . . 3.800 3.723 3.712 3.737 . 0 0 "[ .]" 1
85 1 3 TRP H 1 3 TRP HZ2 4.000 . 6.000 5.883 5.863 5.903 . 0 0 "[ .]" 1
86 1 3 TRP H 1 4 LEU H 3.000 . 3.800 2.379 2.344 2.434 . 0 0 "[ .]" 1
87 1 3 TRP H 1 4 LEU HB2 4.000 . 5.000 4.164 4.135 4.204 . 0 0 "[ .]" 1
88 1 3 TRP H 1 5 ARG H 4.000 . 5.000 4.337 4.289 4.380 . 0 0 "[ .]" 1
89 1 3 TRP HA 1 3 TRP HD1 3.000 . 3.800 4.022 3.995 4.039 0.239 5 0 "[ .]" 1
90 1 3 TRP HA 1 3 TRP HE1 4.000 . 6.000 6.069 6.064 6.073 0.073 3 0 "[ .]" 1
91 1 3 TRP HA 1 3 TRP HE3 3.000 . 4.300 4.430 4.408 4.457 0.157 2 0 "[ .]" 1
92 1 3 TRP HA 1 5 ARG H 4.000 . 5.000 4.557 4.439 4.621 . 0 0 "[ .]" 1
93 1 3 TRP HA 1 6 LYS H 3.000 . 3.800 3.287 3.153 3.368 . 0 0 "[ .]" 1
94 1 3 TRP HA 1 6 LYS QB 3.000 . 4.800 2.599 2.187 2.822 . 0 0 "[ .]" 1
95 1 3 TRP HA 1 6 LYS QD 4.000 . 5.500 2.638 2.134 3.178 . 0 0 "[ .]" 1
96 1 3 TRP HA 1 6 LYS QE 4.000 . 5.500 2.474 2.239 3.184 . 0 0 "[ .]" 1
97 1 3 TRP HA 1 6 LYS QG 3.000 . 4.800 2.551 2.256 3.704 . 0 0 "[ .]" 1
98 1 3 TRP QB 1 3 TRP HE1 4.000 . 4.800 4.399 4.396 4.404 . 0 0 "[ .]" 1
99 1 3 TRP HB2 1 3 TRP HD1 3.000 . 4.800 3.801 3.797 3.806 . 0 0 "[ .]" 1
100 1 3 TRP HB2 1 3 TRP HZ3 4.000 . 6.000 4.830 4.810 4.843 . 0 0 "[ .]" 1
101 1 3 TRP HB2 1 4 LEU H 4.000 . 5.000 3.854 3.758 3.923 . 0 0 "[ .]" 1
102 1 3 TRP HB3 1 3 TRP HD1 3.000 . 4.800 2.684 2.673 2.698 . 0 0 "[ .]" 1
103 1 3 TRP HB3 1 3 TRP HZ3 4.000 . 6.000 6.214 6.193 6.226 0.226 1 0 "[ .]" 1
104 1 3 TRP HB3 1 4 LEU H 4.000 . 5.000 4.114 4.069 4.150 . 0 0 "[ .]" 1
105 1 3 TRP HD1 1 4 LEU H 4.000 . 5.000 3.585 3.549 3.615 . 0 0 "[ .]" 1
106 1 3 TRP HD1 1 4 LEU HB2 4.000 . 5.000 5.009 4.959 5.075 0.075 2 0 "[ .]" 1
107 1 3 TRP HD1 1 4 LEU MD1 4.000 . 7.000 5.102 5.063 5.150 . 0 0 "[ .]" 1
108 1 3 TRP HD1 1 6 LYS QE 4.000 . 7.000 5.250 4.897 5.877 . 0 0 "[ .]" 1
109 1 3 TRP HE1 1 4 LEU HB2 4.000 . 6.000 4.567 4.462 4.696 . 0 0 "[ .]" 1
110 1 3 TRP HE1 1 4 LEU MD1 4.000 . 6.500 4.403 4.383 4.441 . 0 0 "[ .]" 1
111 1 3 TRP HE1 1 4 LEU MD2 4.000 . 5.500 4.286 4.279 4.297 . 0 0 "[ .]" 1
112 1 3 TRP HE1 1 7 ILE HB 4.000 . 8.000 8.071 8.037 8.099 0.099 5 0 "[ .]" 1
113 1 3 TRP HE3 1 4 LEU QB 4.000 . 6.000 4.713 4.698 4.721 . 0 0 "[ .]" 1
114 1 3 TRP HE3 1 4 LEU QD 3.000 . 5.800 2.820 2.785 2.842 . 0 0 "[ .]" 1
115 1 3 TRP HZ2 1 4 LEU HB2 4.000 . 6.000 4.736 4.610 4.882 . 0 0 "[ .]" 1
116 1 3 TRP HZ2 1 4 LEU MD1 3.000 . 4.800 3.306 3.297 3.322 . 0 0 "[ .]" 1
117 1 3 TRP HZ2 1 4 LEU MD2 4.000 . 6.500 3.312 3.277 3.356 . 0 0 "[ .]" 1
118 1 3 TRP HZ3 1 4 LEU HA 3.000 . 3.800 3.970 3.967 3.974 0.174 5 0 "[ .]" 1
119 1 3 TRP HZ3 1 4 LEU QB 4.000 . 6.000 5.102 5.066 5.136 . 0 0 "[ .]" 1
120 1 3 TRP HZ3 1 4 LEU MD1 3.000 . 4.800 2.385 2.374 2.392 . 0 0 "[ .]" 1
121 1 3 TRP HZ3 1 4 LEU MD2 3.000 . 5.300 4.464 4.456 4.473 . 0 0 "[ .]" 1
122 1 4 LEU H 1 4 LEU HB2 2.500 . 3.900 2.082 2.055 2.105 . 0 0 "[ .]" 1
123 1 4 LEU H 1 4 LEU HB3 3.000 . 4.800 3.179 3.133 3.233 . 0 0 "[ .]" 1
124 1 4 LEU H 1 4 LEU MD1 3.000 . 5.500 3.103 2.973 3.210 . 0 0 "[ .]" 1
125 1 4 LEU H 1 4 LEU MD2 3.000 . 5.500 3.766 3.674 3.834 . 0 0 "[ .]" 1
126 1 4 LEU H 1 5 ARG H 2.500 . 2.900 2.704 2.640 2.786 . 0 0 "[ .]" 1
127 1 4 LEU H 1 5 ARG HB2 4.000 . 6.000 6.112 6.036 6.159 0.159 2 0 "[ .]" 1
128 1 4 LEU H 1 5 ARG QG 4.000 . 6.000 3.771 3.495 4.820 . 0 0 "[ .]" 1
129 1 4 LEU H 1 6 LYS H 4.000 . 5.000 3.832 3.741 3.936 . 0 0 "[ .]" 1
130 1 4 LEU HA 1 4 LEU MD2 2.500 . 4.200 3.636 3.633 3.637 . 0 0 "[ .]" 1
131 1 4 LEU HB2 1 4 LEU MD1 2.500 . 4.200 2.562 2.548 2.581 . 0 0 "[ .]" 1
132 1 4 LEU HB2 1 4 LEU MD2 2.500 . 4.200 2.152 2.138 2.161 . 0 0 "[ .]" 1
133 1 4 LEU HB2 1 5 ARG H 3.000 . 3.800 3.084 3.003 3.132 . 0 0 "[ .]" 1
134 1 4 LEU HB3 1 4 LEU MD1 2.500 . 4.200 3.182 3.178 3.186 . 0 0 "[ .]" 1
135 1 4 LEU HB3 1 4 LEU MD2 2.500 . 4.200 2.565 2.554 2.577 . 0 0 "[ .]" 1
136 1 4 LEU HB3 1 5 ARG H 3.000 . 4.800 2.565 2.538 2.605 . 0 0 "[ .]" 1
137 1 4 LEU MD1 1 8 TRP HD1 3.000 . 4.800 3.015 2.961 3.085 . 0 0 "[ .]" 1
138 1 4 LEU MD2 1 5 ARG H 3.000 . 5.500 4.541 4.524 4.550 . 0 0 "[ .]" 1
139 1 4 LEU MD2 1 8 TRP HD1 2.500 . 4.200 2.689 2.684 2.696 . 0 0 "[ .]" 1
140 1 5 ARG H 1 5 ARG HB2 2.500 . 3.900 3.499 3.425 3.578 . 0 0 "[ .]" 1
141 1 5 ARG H 1 5 ARG HB3 2.500 . 3.900 2.802 2.124 3.214 . 0 0 "[ .]" 1
142 1 5 ARG H 1 5 ARG QG 2.500 . 4.400 1.950 1.590 2.912 0.210 3 0 "[ .]" 1
143 1 5 ARG H 1 6 LYS H 2.500 . 2.900 2.584 2.566 2.609 . 0 0 "[ .]" 1
144 1 5 ARG HA 1 5 ARG QD 3.000 . 4.800 4.228 3.851 4.341 . 0 0 "[ .]" 1
145 1 5 ARG HA 1 5 ARG QG 2.500 . 4.200 3.249 3.171 3.361 . 0 0 "[ .]" 1
146 1 5 ARG HA 1 6 LYS H 3.000 . 3.800 3.528 3.513 3.544 . 0 0 "[ .]" 1
147 1 5 ARG HA 1 8 TRP HB3 3.000 . 3.800 3.968 3.959 3.986 0.186 2 0 "[ .]" 1
148 1 5 ARG HA 1 8 TRP HD1 3.000 . 3.800 3.629 3.618 3.649 . 0 0 "[ .]" 1
149 1 5 ARG HA 1 8 TRP HE1 4.000 . 6.000 6.080 6.074 6.089 0.089 2 0 "[ .]" 1
150 1 5 ARG HB2 1 5 ARG QD 3.000 . 4.800 2.282 2.144 2.550 . 0 0 "[ .]" 1
151 1 5 ARG HB3 1 5 ARG QD 3.000 . 4.800 2.940 2.223 3.424 . 0 0 "[ .]" 1
152 1 5 ARG QD 1 6 LYS H 4.000 . 5.500 3.437 2.588 3.898 . 0 0 "[ .]" 1
153 1 5 ARG QG 1 6 LYS H 3.000 . 5.000 2.230 2.035 2.463 . 0 0 "[ .]" 1
154 1 5 ARG QG 1 6 LYS HA 4.000 . 6.500 4.105 2.994 4.687 . 0 0 "[ .]" 1
155 1 6 LYS H 1 6 LYS QB 2.500 . 4.400 2.162 2.098 2.205 . 0 0 "[ .]" 1
156 1 6 LYS H 1 6 LYS QD 3.000 . 5.000 4.029 3.283 4.399 . 0 0 "[ .]" 1
157 1 6 LYS H 1 6 LYS QE 4.000 . 6.500 4.854 4.690 5.024 . 0 0 "[ .]" 1
158 1 6 LYS H 1 6 LYS QG 2.500 . 4.400 3.183 2.886 3.988 . 0 0 "[ .]" 1
159 1 6 LYS H 1 7 ILE H 2.500 . 2.900 2.535 2.506 2.583 . 0 0 "[ .]" 1
160 1 6 LYS H 1 7 ILE QG 4.000 . 7.000 6.123 6.097 6.167 . 0 0 "[ .]" 1
161 1 6 LYS H 1 7 ILE MG 4.000 . 7.500 4.276 4.246 4.325 . 0 0 "[ .]" 1
162 1 6 LYS HA 1 6 LYS QB 2.500 . 3.800 2.172 2.164 2.199 . 0 0 "[ .]" 1
163 1 6 LYS HA 1 6 LYS QD 3.000 . 4.800 4.070 3.735 4.209 . 0 0 "[ .]" 1
164 1 6 LYS HA 1 6 LYS QG 3.000 . 4.800 3.114 2.837 3.205 . 0 0 "[ .]" 1
165 1 6 LYS HA 1 7 ILE H 3.000 . 3.800 3.535 3.515 3.544 . 0 0 "[ .]" 1
166 1 6 LYS HA 1 7 ILE MG 4.000 . 6.500 5.307 5.296 5.321 . 0 0 "[ .]" 1
167 1 6 LYS HA 1 8 TRP H 4.000 . 5.000 3.940 3.900 3.987 . 0 0 "[ .]" 1
168 1 6 LYS QB 1 6 LYS QE 3.000 . 4.300 3.391 3.234 3.488 . 0 0 "[ .]" 1
169 1 6 LYS QB 1 7 ILE H 3.000 . 4.800 3.215 3.025 3.274 . 0 0 "[ .]" 1
170 1 6 LYS QD 1 7 ILE H 4.000 . 6.500 3.900 2.386 4.440 . 0 0 "[ .]" 1
171 1 6 LYS QD 1 7 ILE HA 4.000 . 5.500 4.424 2.433 4.976 . 0 0 "[ .]" 1
172 1 6 LYS QE 1 6 LYS QG 3.000 . 5.300 2.226 2.110 2.435 . 0 0 "[ .]" 1
173 1 6 LYS QG 1 7 ILE H 3.000 . 5.000 2.438 1.973 3.656 . 0 0 "[ .]" 1
174 1 7 ILE H 1 7 ILE HB 2.500 . 3.400 2.295 2.275 2.347 . 0 0 "[ .]" 1
175 1 7 ILE H 1 7 ILE MD 3.000 . 5.500 4.175 4.173 4.176 . 0 0 "[ .]" 1
176 1 7 ILE H 1 7 ILE QG 3.000 . 4.800 3.917 3.899 3.959 . 0 0 "[ .]" 1
177 1 7 ILE H 1 7 ILE MG 3.000 . 4.500 2.581 2.536 2.608 . 0 0 "[ .]" 1
178 1 7 ILE H 1 8 TRP H 2.500 . 2.900 2.309 2.229 2.344 . 0 0 "[ .]" 1
179 1 7 ILE H 1 8 TRP HA 4.000 . 5.000 5.045 4.985 5.072 0.072 1 0 "[ .]" 1
180 1 7 ILE HA 1 7 ILE MD 2.500 . 5.200 2.250 2.239 2.260 . 0 0 "[ .]" 1
181 1 7 ILE HA 1 7 ILE HG13 3.000 . 3.800 3.622 3.621 3.624 . 0 0 "[ .]" 1
182 1 7 ILE HA 1 7 ILE MG 2.500 . 4.200 3.142 3.140 3.144 . 0 0 "[ .]" 1
183 1 7 ILE HB 1 7 ILE MD 2.500 . 4.200 3.209 3.208 3.210 . 0 0 "[ .]" 1
184 1 7 ILE HB 1 8 TRP HD1 4.000 . 6.000 5.262 5.253 5.272 . 0 0 "[ .]" 1
185 1 7 ILE HB 1 8 TRP HE1 4.000 . 5.000 5.104 5.096 5.109 0.109 2 0 "[ .]" 1
186 1 7 ILE MD 1 8 TRP HB2 4.000 . 6.500 5.221 5.211 5.229 . 0 0 "[ .]" 1
187 1 7 ILE MD 1 8 TRP HE1 4.000 . 6.500 4.597 4.595 4.599 . 0 0 "[ .]" 1
188 1 7 ILE MD 1 8 TRP HE3 3.000 . 4.800 3.408 3.397 3.414 . 0 0 "[ .]" 1
189 1 7 ILE MD 1 8 TRP HZ2 3.000 . 4.800 3.845 3.839 3.850 . 0 0 "[ .]" 1
190 1 7 ILE QG 1 8 TRP HD1 4.000 . 6.500 5.816 5.811 5.822 . 0 0 "[ .]" 1
191 1 7 ILE HG13 1 8 TRP HH2 4.000 . 5.000 5.087 5.084 5.090 0.090 5 0 "[ .]" 1
192 1 7 ILE MG 1 8 TRP H 3.000 . 5.500 2.190 2.173 2.200 . 0 0 "[ .]" 1
193 1 7 ILE MG 1 8 TRP HA 3.000 . 4.800 3.372 3.363 3.378 . 0 0 "[ .]" 1
194 1 7 ILE MG 1 8 TRP QB 3.000 . 5.800 3.156 3.147 3.170 . 0 0 "[ .]" 1
195 1 7 ILE MG 1 8 TRP HE1 4.000 . 5.500 2.561 2.558 2.565 . 0 0 "[ .]" 1
196 1 7 ILE MG 1 8 TRP HZ2 3.000 . 4.800 3.153 3.147 3.163 . 0 0 "[ .]" 1
197 1 8 TRP H 1 8 TRP QB 3.000 . 4.800 2.546 2.540 2.549 . 0 0 "[ .]" 1
198 1 8 TRP HA 1 8 TRP HD1 4.000 . 5.000 4.642 4.638 4.644 . 0 0 "[ .]" 1
199 1 8 TRP HA 1 8 TRP HE3 3.000 . 3.800 2.037 2.027 2.048 . 0 0 "[ .]" 1
200 1 8 TRP HA 1 8 TRP HZ3 4.000 . 5.000 4.356 4.350 4.364 . 0 0 "[ .]" 1
201 1 8 TRP QB 1 8 TRP HE3 3.000 . 4.800 3.106 3.097 3.112 . 0 0 "[ .]" 1
202 1 8 TRP HB2 1 8 TRP HD1 2.500 . 3.700 2.518 2.515 2.521 . 0 0 "[ .]" 1
203 1 8 TRP HB2 1 8 TRP HE1 4.000 . 5.000 4.700 4.700 4.700 . 0 0 "[ .]" 1
204 1 8 TRP HB3 1 8 TRP HD1 2.500 . 3.800 3.484 3.480 3.489 . 0 0 "[ .]" 1
205 1 8 TRP HB3 1 8 TRP HE1 4.000 . 5.000 5.099 5.097 5.102 0.102 3 0 "[ .]" 1
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