NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641138 |
6imh   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6imh
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 324
_Distance_constraint_stats_list.Viol_count 312
_Distance_constraint_stats_list.Viol_total 288.379
_Distance_constraint_stats_list.Viol_max 0.263
_Distance_constraint_stats_list.Viol_rms 0.0125
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0462
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 GLY 0.287 0.263 20 0 "[ . 1 . 2]"
1 3 CYS 2.421 0.263 20 0 "[ . 1 . 2]"
1 4 PRO 0.021 0.014 1 0 "[ . 1 . 2]"
1 5 CYS 0.981 0.157 9 0 "[ . 1 . 2]"
1 6 GLU 1.740 0.157 9 0 "[ . 1 . 2]"
1 7 PRO 3.171 0.158 16 0 "[ . 1 . 2]"
1 8 SER 2.225 0.101 9 0 "[ . 1 . 2]"
1 9 TYR 2.231 0.158 16 0 "[ . 1 . 2]"
1 10 LEU 2.021 0.074 8 0 "[ . 1 . 2]"
1 11 CYS 0.751 0.069 2 0 "[ . 1 . 2]"
1 12 PRO 0.441 0.063 17 0 "[ . 1 . 2]"
1 13 TRP 2.277 0.094 11 0 "[ . 1 . 2]"
1 14 LEU 1.177 0.069 2 0 "[ . 1 . 2]"
1 15 PRO 0.929 0.057 9 0 "[ . 1 . 2]"
1 16 GLY 2.073 0.057 9 0 "[ . 1 . 2]"
1 17 CYS 2.261 0.058 12 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLY H 1 3 CYS H 5.000 3.000 5.500 4.451 2.737 4.651 0.263 20 0 "[ . 1 . 2]" 1
2 1 2 GLY HA2 1 3 CYS H 3.000 . 3.500 2.616 2.307 3.179 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY HA3 1 3 CYS H 3.000 . 3.500 2.643 2.169 3.525 0.025 20 0 "[ . 1 . 2]" 1
4 1 3 CYS H 1 3 CYS HA 3.000 . 3.500 2.844 2.788 2.933 . 0 0 "[ . 1 . 2]" 1
5 1 3 CYS H 1 3 CYS HB2 3.000 . 3.500 2.195 2.118 2.390 . 0 0 "[ . 1 . 2]" 1
6 1 3 CYS H 1 3 CYS HB3 3.000 . 3.500 3.033 2.980 3.132 . 0 0 "[ . 1 . 2]" 1
7 1 3 CYS H 1 16 GLY HA3 5.000 3.000 5.500 5.161 4.801 5.516 0.016 10 0 "[ . 1 . 2]" 1
8 1 3 CYS H 1 17 CYS HA 5.000 3.000 5.500 4.215 4.126 4.498 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS HA 1 3 CYS HB2 3.000 . 3.500 2.727 2.691 2.784 . 0 0 "[ . 1 . 2]" 1
10 1 3 CYS HA 1 3 CYS HB3 3.000 . 3.500 2.942 2.903 2.961 . 0 0 "[ . 1 . 2]" 1
11 1 3 CYS HA 1 4 PRO QB 5.000 3.000 6.000 4.649 4.602 4.686 . 0 0 "[ . 1 . 2]" 1
12 1 3 CYS HA 1 4 PRO HD2 2.500 . 2.800 2.272 2.207 2.351 . 0 0 "[ . 1 . 2]" 1
13 1 3 CYS HA 1 4 PRO HD3 2.500 . 2.800 2.365 2.293 2.447 . 0 0 "[ . 1 . 2]" 1
14 1 3 CYS HA 1 4 PRO HG2 5.000 3.000 5.500 4.454 4.386 4.509 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HA 1 4 PRO HG3 5.000 3.000 5.500 4.482 4.404 4.525 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 5 CYS H 4.000 . 4.500 3.842 3.793 3.883 . 0 0 "[ . 1 . 2]" 1
17 1 3 CYS HA 1 14 LEU MD1 5.000 3.000 6.000 4.227 4.079 4.327 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS HA 1 17 CYS H 5.000 3.000 5.500 4.811 4.602 4.969 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS HA 1 17 CYS HA 5.000 3.000 5.500 4.450 4.406 4.517 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS HB2 1 4 PRO HD2 5.000 3.000 5.500 4.190 4.150 4.237 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS HB2 1 4 PRO HD3 5.000 3.000 5.500 4.980 4.916 5.056 . 0 0 "[ . 1 . 2]" 1
22 1 3 CYS HB2 1 5 CYS H 4.000 . 4.500 4.400 4.289 4.482 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS HB2 1 8 SER HB2 3.000 . 3.500 3.256 3.048 3.406 . 0 0 "[ . 1 . 2]" 1
24 1 3 CYS HB2 1 8 SER HB3 5.000 3.000 5.500 3.578 3.247 3.731 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HB2 1 17 CYS H 5.000 3.000 5.500 3.933 3.683 4.274 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HB2 1 17 CYS HA 2.500 . 2.800 2.144 2.090 2.331 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS HB2 1 17 CYS HB3 4.000 . 4.500 4.524 4.500 4.547 0.047 20 0 "[ . 1 . 2]" 1
28 1 3 CYS HB3 1 5 CYS H 4.000 . 4.500 2.827 2.606 2.972 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HB3 1 8 SER HA 3.000 . 3.500 3.503 3.407 3.561 0.061 17 0 "[ . 1 . 2]" 1
30 1 3 CYS HB3 1 8 SER HB3 5.000 3.000 5.500 2.940 2.899 2.972 0.101 9 0 "[ . 1 . 2]" 1
31 1 3 CYS HB3 1 17 CYS HA 3.000 . 4.000 3.018 2.901 3.271 . 0 0 "[ . 1 . 2]" 1
32 1 4 PRO HA 1 4 PRO HD2 4.000 . 4.500 4.093 4.080 4.099 . 0 0 "[ . 1 . 2]" 1
33 1 4 PRO HA 1 4 PRO HD3 4.000 . 4.500 3.590 3.526 3.651 . 0 0 "[ . 1 . 2]" 1
34 1 4 PRO HA 1 4 PRO HG2 4.000 . 4.500 3.865 3.848 3.889 . 0 0 "[ . 1 . 2]" 1
35 1 4 PRO HA 1 4 PRO HG3 4.000 . 4.500 4.006 3.987 4.027 . 0 0 "[ . 1 . 2]" 1
36 1 4 PRO HA 1 5 CYS H 3.000 . 3.500 3.452 3.432 3.469 . 0 0 "[ . 1 . 2]" 1
37 1 4 PRO QB 1 4 PRO HD3 3.000 . 3.500 2.913 2.887 2.957 . 0 0 "[ . 1 . 2]" 1
38 1 4 PRO QB 1 5 CYS H 4.000 . 4.500 3.483 3.415 3.545 . 0 0 "[ . 1 . 2]" 1
39 1 4 PRO QB 1 5 CYS HA 5.000 3.000 5.500 4.125 4.075 4.169 . 0 0 "[ . 1 . 2]" 1
40 1 4 PRO HD2 1 4 PRO HG2 3.000 . 3.500 2.319 2.293 2.336 . 0 0 "[ . 1 . 2]" 1
41 1 4 PRO HD2 1 5 CYS H 3.000 . 3.500 2.769 2.678 2.877 . 0 0 "[ . 1 . 2]" 1
42 1 4 PRO HD2 1 14 LEU HB2 5.000 3.000 5.500 5.093 4.906 5.215 . 0 0 "[ . 1 . 2]" 1
43 1 4 PRO HD2 1 14 LEU MD1 4.000 . 4.500 2.654 2.492 2.775 . 0 0 "[ . 1 . 2]" 1
44 1 4 PRO HD3 1 4 PRO HG2 3.000 . 3.500 2.999 2.982 3.012 . 0 0 "[ . 1 . 2]" 1
45 1 4 PRO HD3 1 4 PRO HG3 3.000 . 3.500 2.314 2.297 2.328 . 0 0 "[ . 1 . 2]" 1
46 1 4 PRO HD3 1 5 CYS H 4.000 . 4.500 3.920 3.861 3.980 . 0 0 "[ . 1 . 2]" 1
47 1 4 PRO HD3 1 14 LEU MD1 3.000 . 4.000 3.910 3.664 4.014 0.014 1 0 "[ . 1 . 2]" 1
48 1 4 PRO HG2 1 5 CYS H 3.000 . 3.500 2.878 2.795 3.019 . 0 0 "[ . 1 . 2]" 1
49 1 4 PRO HG2 1 14 LEU MD1 3.000 . 3.500 3.002 2.845 3.112 . 0 0 "[ . 1 . 2]" 1
50 1 4 PRO HG3 1 5 CYS H 4.000 . 4.500 4.259 4.187 4.355 . 0 0 "[ . 1 . 2]" 1
51 1 4 PRO HG3 1 14 LEU MD1 5.000 3.000 6.000 3.599 3.365 3.724 . 0 0 "[ . 1 . 2]" 1
52 1 5 CYS H 1 5 CYS HA 3.000 . 3.500 2.905 2.893 2.923 . 0 0 "[ . 1 . 2]" 1
53 1 5 CYS H 1 5 CYS HB2 3.000 . 3.500 2.423 2.399 2.451 . 0 0 "[ . 1 . 2]" 1
54 1 5 CYS H 1 5 CYS HB3 4.000 . 4.500 3.612 3.595 3.625 . 0 0 "[ . 1 . 2]" 1
55 1 5 CYS H 1 8 SER HA 4.000 . 4.500 3.941 3.840 4.034 . 0 0 "[ . 1 . 2]" 1
56 1 5 CYS H 1 14 LEU MD1 4.000 . 5.000 3.900 3.792 4.043 . 0 0 "[ . 1 . 2]" 1
57 1 5 CYS HA 1 5 CYS HB2 3.000 . 3.500 3.029 3.025 3.036 . 0 0 "[ . 1 . 2]" 1
58 1 5 CYS HA 1 5 CYS HB3 2.500 . 2.800 2.492 2.480 2.507 . 0 0 "[ . 1 . 2]" 1
59 1 5 CYS HA 1 6 GLU H 2.500 . 2.800 2.159 2.133 2.182 . 0 0 "[ . 1 . 2]" 1
60 1 5 CYS HA 1 6 GLU HB2 5.000 3.000 5.500 4.649 4.440 5.604 0.104 20 0 "[ . 1 . 2]" 1
61 1 5 CYS HA 1 6 GLU HB3 5.000 3.000 5.500 4.828 4.570 5.657 0.157 9 0 "[ . 1 . 2]" 1
62 1 5 CYS HA 1 10 LEU MD1 5.000 3.000 6.000 4.447 4.348 4.538 . 0 0 "[ . 1 . 2]" 1
63 1 5 CYS HA 1 11 CYS HB2 5.000 3.000 5.500 5.236 5.148 5.289 . 0 0 "[ . 1 . 2]" 1
64 1 5 CYS HB2 1 6 GLU H 4.000 . 4.500 4.238 4.129 4.276 . 0 0 "[ . 1 . 2]" 1
65 1 5 CYS HB2 1 6 GLU HA 5.000 3.000 5.500 4.769 4.719 4.794 . 0 0 "[ . 1 . 2]" 1
66 1 5 CYS HB2 1 8 SER HA 3.000 . 3.500 2.152 2.089 2.250 . 0 0 "[ . 1 . 2]" 1
67 1 5 CYS HB2 1 8 SER HB3 4.000 . 4.500 4.142 4.013 4.242 . 0 0 "[ . 1 . 2]" 1
68 1 5 CYS HB2 1 10 LEU H 5.000 3.000 5.500 4.521 4.440 4.575 . 0 0 "[ . 1 . 2]" 1
69 1 5 CYS HB2 1 10 LEU HB2 4.000 . 4.500 4.071 4.027 4.160 . 0 0 "[ . 1 . 2]" 1
70 1 5 CYS HB2 1 10 LEU HB3 5.000 3.000 5.500 5.497 5.458 5.558 0.058 5 0 "[ . 1 . 2]" 1
71 1 5 CYS HB2 1 10 LEU MD1 5.000 3.000 6.000 5.085 5.020 5.182 . 0 0 "[ . 1 . 2]" 1
72 1 5 CYS HB3 1 6 GLU H 3.000 . 3.500 3.314 3.138 3.372 . 0 0 "[ . 1 . 2]" 1
73 1 5 CYS HB3 1 6 GLU HA 5.000 3.000 5.500 4.474 4.428 4.517 . 0 0 "[ . 1 . 2]" 1
74 1 5 CYS HB3 1 8 SER HA 3.000 . 3.500 2.751 2.553 2.870 . 0 0 "[ . 1 . 2]" 1
75 1 5 CYS HB3 1 10 LEU H 5.000 3.000 5.500 3.717 3.658 3.803 . 0 0 "[ . 1 . 2]" 1
76 1 5 CYS HB3 1 10 LEU HB2 3.000 . 3.500 2.537 2.491 2.616 . 0 0 "[ . 1 . 2]" 1
77 1 5 CYS HB3 1 10 LEU HB3 4.000 . 4.500 3.947 3.913 3.993 . 0 0 "[ . 1 . 2]" 1
78 1 5 CYS HB3 1 10 LEU MD1 4.000 . 4.500 3.670 3.599 3.767 . 0 0 "[ . 1 . 2]" 1
79 1 5 CYS HB3 1 11 CYS H 4.000 . 4.500 3.342 3.223 3.452 . 0 0 "[ . 1 . 2]" 1
80 1 5 CYS HB3 1 11 CYS HB2 4.000 . 4.500 3.445 3.355 3.513 . 0 0 "[ . 1 . 2]" 1
81 1 6 GLU H 1 6 GLU HA 3.000 . 3.500 2.936 2.925 2.947 . 0 0 "[ . 1 . 2]" 1
82 1 6 GLU H 1 6 GLU HB2 3.000 . 4.000 3.178 2.704 3.762 . 0 0 "[ . 1 . 2]" 1
83 1 6 GLU H 1 6 GLU HB3 3.000 . 4.000 3.055 2.726 3.833 . 0 0 "[ . 1 . 2]" 1
84 1 6 GLU H 1 6 GLU QG 4.000 . 4.500 3.660 2.189 4.282 . 0 0 "[ . 1 . 2]" 1
85 1 6 GLU H 1 7 PRO HD2 5.000 3.000 5.500 4.710 4.627 4.752 . 0 0 "[ . 1 . 2]" 1
86 1 6 GLU H 1 8 SER HA 5.000 3.000 5.500 4.496 4.413 4.581 . 0 0 "[ . 1 . 2]" 1
87 1 6 GLU H 1 10 LEU MD1 4.000 . 4.500 3.473 3.376 3.544 . 0 0 "[ . 1 . 2]" 1
88 1 6 GLU HA 1 6 GLU HB2 3.000 . 3.500 2.568 2.411 3.016 . 0 0 "[ . 1 . 2]" 1
89 1 6 GLU HA 1 6 GLU HB3 3.000 . 3.500 2.832 2.318 3.024 . 0 0 "[ . 1 . 2]" 1
90 1 6 GLU HA 1 6 GLU QG 3.000 . 3.500 2.471 2.231 3.267 . 0 0 "[ . 1 . 2]" 1
91 1 6 GLU HA 1 7 PRO HA 2.500 . 2.800 2.106 2.067 2.132 . 0 0 "[ . 1 . 2]" 1
92 1 6 GLU HA 1 7 PRO HB2 5.000 3.000 5.500 4.448 4.381 4.484 . 0 0 "[ . 1 . 2]" 1
93 1 6 GLU HA 1 8 SER H 3.000 . 3.500 2.951 2.875 2.982 . 0 0 "[ . 1 . 2]" 1
94 1 6 GLU HA 1 8 SER HA 4.000 . 4.500 3.689 3.638 3.723 . 0 0 "[ . 1 . 2]" 1
95 1 6 GLU HA 1 10 LEU MD1 5.000 3.000 6.000 4.271 4.187 4.323 . 0 0 "[ . 1 . 2]" 1
96 1 6 GLU HB2 1 7 PRO HA 5.000 3.000 5.500 4.244 3.626 4.621 . 0 0 "[ . 1 . 2]" 1
97 1 6 GLU HB3 1 6 GLU QG 2.500 . 2.800 2.337 2.199 2.467 . 0 0 "[ . 1 . 2]" 1
98 1 6 GLU HB3 1 7 PRO HA 4.000 . 4.500 4.289 3.413 4.605 0.105 19 0 "[ . 1 . 2]" 1
99 1 7 PRO HA 1 7 PRO HB3 2.500 . 2.800 2.301 2.278 2.319 . 0 0 "[ . 1 . 2]" 1
100 1 7 PRO HA 1 7 PRO HD2 4.000 . 4.500 4.096 4.087 4.104 . 0 0 "[ . 1 . 2]" 1
101 1 7 PRO HA 1 7 PRO HG2 4.000 . 4.500 3.852 3.830 3.888 . 0 0 "[ . 1 . 2]" 1
102 1 7 PRO HA 1 7 PRO HG3 4.000 . 4.500 4.003 3.959 4.029 . 0 0 "[ . 1 . 2]" 1
103 1 7 PRO HA 1 8 SER H 2.500 . 2.800 2.268 2.237 2.298 . 0 0 "[ . 1 . 2]" 1
104 1 7 PRO HA 1 9 TYR H 5.000 3.000 5.500 3.928 3.893 3.957 . 0 0 "[ . 1 . 2]" 1
105 1 7 PRO HB2 1 7 PRO HD2 4.000 . 4.500 4.065 4.023 4.085 . 0 0 "[ . 1 . 2]" 1
106 1 7 PRO HB2 1 7 PRO HD3 5.000 3.000 5.500 3.914 3.896 3.947 . 0 0 "[ . 1 . 2]" 1
107 1 7 PRO HB2 1 8 SER H 3.000 . 3.500 3.064 3.002 3.157 . 0 0 "[ . 1 . 2]" 1
108 1 7 PRO HB2 1 8 SER HA 5.000 3.000 5.500 4.818 4.771 4.877 . 0 0 "[ . 1 . 2]" 1
109 1 7 PRO HB2 1 9 TYR H 4.000 . 4.500 2.397 2.368 2.426 . 0 0 "[ . 1 . 2]" 1
110 1 7 PRO HB2 1 9 TYR QD 4.000 . 4.500 1.868 1.838 1.891 . 0 0 "[ . 1 . 2]" 1
111 1 7 PRO HB2 1 9 TYR QE 4.000 . 4.500 3.888 3.863 3.921 . 0 0 "[ . 1 . 2]" 1
112 1 7 PRO HB2 1 10 LEU H 4.000 . 4.500 3.596 3.507 3.663 . 0 0 "[ . 1 . 2]" 1
113 1 7 PRO HB3 1 7 PRO HD2 4.000 . 4.500 3.874 3.853 3.911 . 0 0 "[ . 1 . 2]" 1
114 1 7 PRO HB3 1 7 PRO HD3 4.000 . 4.500 2.956 2.902 3.054 . 0 0 "[ . 1 . 2]" 1
115 1 7 PRO HB3 1 7 PRO HG2 3.000 . 3.500 2.978 2.969 2.984 . 0 0 "[ . 1 . 2]" 1
116 1 7 PRO HB3 1 8 SER H 3.000 . 4.000 3.679 3.593 3.753 . 0 0 "[ . 1 . 2]" 1
117 1 7 PRO HB3 1 9 TYR H 5.000 3.000 5.500 4.006 3.935 4.042 . 0 0 "[ . 1 . 2]" 1
118 1 7 PRO HB3 1 9 TYR QD 4.000 . 4.500 3.287 3.255 3.322 . 0 0 "[ . 1 . 2]" 1
119 1 7 PRO HB3 1 9 TYR QE 4.000 . 4.500 4.612 4.577 4.658 0.158 16 0 "[ . 1 . 2]" 1
120 1 7 PRO HD2 1 7 PRO HG2 3.000 . 3.500 2.327 2.299 2.339 . 0 0 "[ . 1 . 2]" 1
121 1 7 PRO HD2 1 7 PRO HG3 3.000 . 3.500 2.703 2.692 2.714 . 0 0 "[ . 1 . 2]" 1
122 1 7 PRO HD2 1 10 LEU HB3 5.000 3.000 5.500 5.328 5.295 5.358 . 0 0 "[ . 1 . 2]" 1
123 1 7 PRO HD2 1 10 LEU MD1 3.000 . 4.000 1.943 1.928 1.959 . 0 0 "[ . 1 . 2]" 1
124 1 7 PRO HD3 1 7 PRO HG2 3.000 . 3.500 3.002 2.986 3.010 . 0 0 "[ . 1 . 2]" 1
125 1 7 PRO HD3 1 7 PRO HG3 3.000 . 3.500 2.327 2.304 2.338 . 0 0 "[ . 1 . 2]" 1
126 1 7 PRO HD3 1 10 LEU MD1 3.000 . 3.500 3.412 3.390 3.431 . 0 0 "[ . 1 . 2]" 1
127 1 7 PRO HG2 1 8 SER H 5.000 3.000 5.500 4.754 4.710 4.805 . 0 0 "[ . 1 . 2]" 1
128 1 7 PRO HG2 1 9 TYR QE 4.000 . 4.500 2.240 2.202 2.297 . 0 0 "[ . 1 . 2]" 1
129 1 7 PRO HG2 1 10 LEU H 3.000 . 3.500 3.412 3.345 3.502 0.002 4 0 "[ . 1 . 2]" 1
130 1 7 PRO HG3 1 8 SER H 5.000 3.000 5.500 5.385 5.350 5.437 . 0 0 "[ . 1 . 2]" 1
131 1 7 PRO HG3 1 9 TYR QE 4.000 . 4.500 2.744 2.665 2.887 . 0 0 "[ . 1 . 2]" 1
132 1 8 SER H 1 8 SER HA 3.000 . 3.500 2.835 2.820 2.849 . 0 0 "[ . 1 . 2]" 1
133 1 8 SER H 1 8 SER HB3 3.000 . 3.500 2.440 2.402 2.499 . 0 0 "[ . 1 . 2]" 1
134 1 8 SER H 1 9 TYR H 3.000 . 3.500 2.594 2.524 2.671 . 0 0 "[ . 1 . 2]" 1
135 1 8 SER HA 1 8 SER HB3 2.500 . 2.800 2.514 2.486 2.541 . 0 0 "[ . 1 . 2]" 1
136 1 8 SER HA 1 9 TYR H 4.000 . 4.500 3.461 3.444 3.476 . 0 0 "[ . 1 . 2]" 1
137 1 8 SER HA 1 9 TYR QD 5.000 3.000 5.500 5.430 5.374 5.484 . 0 0 "[ . 1 . 2]" 1
138 1 8 SER HA 1 10 LEU H 4.000 . 4.500 3.470 3.416 3.514 . 0 0 "[ . 1 . 2]" 1
139 1 8 SER HA 1 10 LEU HB2 5.000 3.000 5.500 4.082 3.967 4.156 . 0 0 "[ . 1 . 2]" 1
140 1 8 SER HA 1 11 CYS H 4.000 . 4.500 3.538 3.450 3.617 . 0 0 "[ . 1 . 2]" 1
141 1 8 SER HB2 1 17 CYS HA 3.000 . 3.500 2.304 2.217 2.420 . 0 0 "[ . 1 . 2]" 1
142 1 8 SER HB3 1 9 TYR H 4.000 . 4.500 4.053 4.022 4.091 . 0 0 "[ . 1 . 2]" 1
143 1 8 SER HB3 1 17 CYS HA 3.000 . 3.500 3.517 3.425 3.558 0.058 12 0 "[ . 1 . 2]" 1
144 1 8 SER HB3 1 17 CYS HB3 4.000 . 4.500 4.263 4.079 4.414 . 0 0 "[ . 1 . 2]" 1
145 1 9 TYR H 1 9 TYR HA 3.000 . 3.500 2.806 2.793 2.815 . 0 0 "[ . 1 . 2]" 1
146 1 9 TYR H 1 9 TYR HB2 4.000 . 4.500 3.419 3.388 3.446 . 0 0 "[ . 1 . 2]" 1
147 1 9 TYR H 1 9 TYR HB3 3.000 . 3.500 2.115 2.087 2.145 . 0 0 "[ . 1 . 2]" 1
148 1 9 TYR H 1 9 TYR QD 3.000 . 3.500 2.832 2.798 2.878 . 0 0 "[ . 1 . 2]" 1
149 1 9 TYR H 1 10 LEU H 3.000 . 3.500 2.679 2.660 2.695 . 0 0 "[ . 1 . 2]" 1
150 1 9 TYR HA 1 9 TYR HB2 3.000 . 3.500 2.255 2.252 2.262 . 0 0 "[ . 1 . 2]" 1
151 1 9 TYR HA 1 9 TYR HB3 2.500 . 2.800 2.759 2.745 2.771 . 0 0 "[ . 1 . 2]" 1
152 1 9 TYR HA 1 9 TYR QD 4.000 . 4.500 3.511 3.491 3.528 . 0 0 "[ . 1 . 2]" 1
153 1 9 TYR HA 1 10 LEU H 4.000 . 4.500 3.438 3.430 3.450 . 0 0 "[ . 1 . 2]" 1
154 1 9 TYR HA 1 12 PRO HB3 5.000 3.000 5.500 4.268 4.025 4.453 . 0 0 "[ . 1 . 2]" 1
155 1 9 TYR HB2 1 9 TYR QD 3.000 . 3.500 2.386 2.367 2.395 . 0 0 "[ . 1 . 2]" 1
156 1 9 TYR HB2 1 10 LEU H 4.000 . 4.500 4.401 4.384 4.411 . 0 0 "[ . 1 . 2]" 1
157 1 9 TYR HB3 1 9 TYR QD 2.500 . 2.800 2.432 2.418 2.456 . 0 0 "[ . 1 . 2]" 1
158 1 9 TYR HB3 1 9 TYR QE 4.000 . 4.500 4.446 4.438 4.456 . 0 0 "[ . 1 . 2]" 1
159 1 9 TYR QD 1 10 LEU HA 4.000 . 4.500 3.888 3.865 3.906 . 0 0 "[ . 1 . 2]" 1
160 1 9 TYR QD 1 10 LEU MD2 4.000 . 5.500 3.639 3.577 3.685 . 0 0 "[ . 1 . 2]" 1
161 1 9 TYR QD 1 10 LEU HG 4.000 . 4.500 2.729 2.657 2.769 . 0 0 "[ . 1 . 2]" 1
162 1 9 TYR QE 1 10 LEU HA 5.000 3.000 5.500 3.836 3.797 3.861 . 0 0 "[ . 1 . 2]" 1
163 1 9 TYR QE 1 10 LEU MD2 3.000 . 4.500 2.495 2.426 2.551 . 0 0 "[ . 1 . 2]" 1
164 1 9 TYR QE 1 10 LEU HG 4.000 . 4.500 2.600 2.489 2.726 . 0 0 "[ . 1 . 2]" 1
165 1 10 LEU H 1 10 LEU HA 3.000 . 3.500 2.839 2.831 2.848 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU H 1 10 LEU HB2 3.000 . 3.500 2.361 2.322 2.386 . 0 0 "[ . 1 . 2]" 1
167 1 10 LEU H 1 10 LEU HB3 3.000 . 3.500 3.565 3.547 3.574 0.074 8 0 "[ . 1 . 2]" 1
168 1 10 LEU H 1 10 LEU MD1 4.000 . 4.500 3.456 3.430 3.480 . 0 0 "[ . 1 . 2]" 1
169 1 10 LEU H 1 10 LEU MD2 4.000 . 4.500 3.617 3.564 3.656 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU H 1 10 LEU HG 3.000 . 3.500 2.361 2.319 2.421 . 0 0 "[ . 1 . 2]" 1
171 1 10 LEU H 1 11 CYS H 3.000 . 3.500 2.551 2.508 2.581 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU H 1 11 CYS HB2 5.000 3.000 5.500 4.964 4.883 5.011 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU HA 1 10 LEU HB2 3.000 . 3.500 3.021 3.016 3.025 . 0 0 "[ . 1 . 2]" 1
174 1 10 LEU HA 1 10 LEU HB3 3.000 . 3.500 2.530 2.519 2.548 . 0 0 "[ . 1 . 2]" 1
175 1 10 LEU HA 1 10 LEU MD2 2.500 . 2.800 2.026 2.016 2.033 . 0 0 "[ . 1 . 2]" 1
176 1 10 LEU HA 1 10 LEU HG 3.000 . 3.500 2.771 2.738 2.814 . 0 0 "[ . 1 . 2]" 1
177 1 10 LEU HA 1 11 CYS H 3.000 . 3.500 3.468 3.450 3.486 . 0 0 "[ . 1 . 2]" 1
178 1 10 LEU HB2 1 10 LEU MD1 3.000 . 3.500 2.321 2.303 2.332 . 0 0 "[ . 1 . 2]" 1
179 1 10 LEU HB2 1 10 LEU HG 3.000 . 3.500 2.540 2.529 2.548 . 0 0 "[ . 1 . 2]" 1
180 1 10 LEU HB2 1 11 CYS H 4.000 . 4.500 3.038 2.932 3.124 . 0 0 "[ . 1 . 2]" 1
181 1 10 LEU HB2 1 11 CYS HA 5.000 3.000 5.500 4.801 4.757 4.828 . 0 0 "[ . 1 . 2]" 1
182 1 10 LEU HB2 1 13 TRP HH2 5.000 3.000 5.500 5.527 5.507 5.545 0.045 19 0 "[ . 1 . 2]" 1
183 1 10 LEU HB3 1 10 LEU MD1 2.500 . 2.800 2.425 2.404 2.451 . 0 0 "[ . 1 . 2]" 1
184 1 10 LEU HB3 1 11 CYS H 4.000 . 4.500 3.879 3.805 3.950 . 0 0 "[ . 1 . 2]" 1
185 1 10 LEU MD2 1 11 CYS H 5.000 3.000 6.000 4.770 4.751 4.785 . 0 0 "[ . 1 . 2]" 1
186 1 10 LEU MD2 1 11 CYS HA 5.000 3.000 6.000 5.598 5.557 5.631 . 0 0 "[ . 1 . 2]" 1
187 1 10 LEU HG 1 11 CYS H 5.000 3.000 5.500 4.512 4.459 4.545 . 0 0 "[ . 1 . 2]" 1
188 1 11 CYS H 1 11 CYS HA 3.000 . 3.500 2.960 2.956 2.964 . 0 0 "[ . 1 . 2]" 1
189 1 11 CYS H 1 11 CYS HB2 3.000 . 3.500 2.683 2.647 2.709 . 0 0 "[ . 1 . 2]" 1
190 1 11 CYS H 1 11 CYS HB3 3.000 . 4.000 3.786 3.766 3.806 . 0 0 "[ . 1 . 2]" 1
191 1 11 CYS H 1 12 PRO HA 5.000 3.000 5.500 4.534 4.503 4.595 . 0 0 "[ . 1 . 2]" 1
192 1 11 CYS H 1 12 PRO HD2 4.000 . 4.500 3.954 3.894 4.039 . 0 0 "[ . 1 . 2]" 1
193 1 11 CYS H 1 12 PRO HD3 3.000 . 3.500 3.201 3.158 3.282 . 0 0 "[ . 1 . 2]" 1
194 1 11 CYS HA 1 11 CYS HB2 3.000 . 3.500 3.028 3.021 3.033 . 0 0 "[ . 1 . 2]" 1
195 1 11 CYS HA 1 11 CYS HB3 3.000 . 3.500 2.424 2.406 2.443 . 0 0 "[ . 1 . 2]" 1
196 1 11 CYS HA 1 12 PRO HD2 3.000 . 3.500 2.097 2.079 2.132 . 0 0 "[ . 1 . 2]" 1
197 1 11 CYS HA 1 12 PRO HG2 5.000 3.000 5.500 4.236 4.209 4.288 . 0 0 "[ . 1 . 2]" 1
198 1 11 CYS HA 1 12 PRO HG3 5.000 3.000 5.500 4.705 4.683 4.722 . 0 0 "[ . 1 . 2]" 1
199 1 11 CYS HA 1 13 TRP H 4.000 . 4.500 3.269 3.224 3.335 . 0 0 "[ . 1 . 2]" 1
200 1 11 CYS HA 1 13 TRP HE3 5.000 3.000 5.500 3.639 3.540 3.736 . 0 0 "[ . 1 . 2]" 1
201 1 11 CYS HA 1 13 TRP HH2 4.000 . 4.500 3.164 3.133 3.195 . 0 0 "[ . 1 . 2]" 1
202 1 11 CYS HA 1 13 TRP HZ2 5.000 3.000 5.500 3.390 3.238 3.543 . 0 0 "[ . 1 . 2]" 1
203 1 11 CYS HA 1 13 TRP HZ3 4.000 . 4.500 3.293 3.142 3.434 . 0 0 "[ . 1 . 2]" 1
204 1 11 CYS HA 1 14 LEU H 4.000 . 4.500 4.160 4.046 4.234 . 0 0 "[ . 1 . 2]" 1
205 1 11 CYS HA 1 14 LEU MD1 5.000 3.000 6.000 4.420 4.295 4.481 . 0 0 "[ . 1 . 2]" 1
206 1 11 CYS HB2 1 13 TRP HZ2 5.000 3.000 5.500 4.439 4.362 4.521 . 0 0 "[ . 1 . 2]" 1
207 1 11 CYS HB2 1 14 LEU H 4.000 . 4.500 3.978 3.895 4.053 . 0 0 "[ . 1 . 2]" 1
208 1 11 CYS HB2 1 14 LEU HB2 3.000 . 3.500 2.868 2.721 2.978 . 0 0 "[ . 1 . 2]" 1
209 1 11 CYS HB2 1 14 LEU HB3 4.000 . 4.500 4.260 4.080 4.398 . 0 0 "[ . 1 . 2]" 1
210 1 11 CYS HB2 1 14 LEU MD1 3.000 . 3.500 2.673 2.500 2.777 . 0 0 "[ . 1 . 2]" 1
211 1 11 CYS HB2 1 14 LEU HG 4.000 . 4.500 4.528 4.376 4.569 0.069 2 0 "[ . 1 . 2]" 1
212 1 11 CYS HB3 1 13 TRP HZ2 5.000 3.000 5.500 3.075 2.980 3.168 0.020 4 0 "[ . 1 . 2]" 1
213 1 11 CYS HB3 1 14 LEU HB2 3.000 . 3.500 2.747 2.672 2.857 . 0 0 "[ . 1 . 2]" 1
214 1 11 CYS HB3 1 14 LEU HB3 4.000 . 4.500 4.359 4.264 4.473 . 0 0 "[ . 1 . 2]" 1
215 1 11 CYS HB3 1 14 LEU MD1 3.000 . 3.500 2.200 2.080 2.285 . 0 0 "[ . 1 . 2]" 1
216 1 11 CYS HB3 1 14 LEU HG 3.000 . 3.500 3.428 3.275 3.498 . 0 0 "[ . 1 . 2]" 1
217 1 12 PRO HA 1 12 PRO HB3 2.500 . 2.800 2.297 2.287 2.304 . 0 0 "[ . 1 . 2]" 1
218 1 12 PRO HA 1 12 PRO HD2 4.000 . 4.500 4.090 4.083 4.098 . 0 0 "[ . 1 . 2]" 1
219 1 12 PRO HA 1 12 PRO HG2 4.000 . 4.500 3.874 3.851 3.904 . 0 0 "[ . 1 . 2]" 1
220 1 12 PRO HA 1 12 PRO HG3 4.000 . 4.500 3.992 3.955 4.017 . 0 0 "[ . 1 . 2]" 1
221 1 12 PRO HA 1 13 TRP H 4.000 . 4.500 3.488 3.475 3.506 . 0 0 "[ . 1 . 2]" 1
222 1 12 PRO HA 1 14 LEU H 4.000 . 4.500 3.655 3.568 3.757 . 0 0 "[ . 1 . 2]" 1
223 1 12 PRO HB2 1 12 PRO HD2 4.000 . 4.500 4.042 4.011 4.064 . 0 0 "[ . 1 . 2]" 1
224 1 12 PRO HB2 1 12 PRO HD3 4.000 . 4.500 3.937 3.916 3.960 . 0 0 "[ . 1 . 2]" 1
225 1 12 PRO HB2 1 13 TRP H 4.000 . 4.500 3.483 3.422 3.535 . 0 0 "[ . 1 . 2]" 1
226 1 12 PRO HB2 1 13 TRP HA 4.000 . 4.500 4.155 4.114 4.193 . 0 0 "[ . 1 . 2]" 1
227 1 12 PRO HB2 1 13 TRP HE3 5.000 3.000 5.500 4.758 4.656 4.834 . 0 0 "[ . 1 . 2]" 1
228 1 12 PRO HB3 1 12 PRO HD2 4.000 . 4.500 3.891 3.867 3.923 . 0 0 "[ . 1 . 2]" 1
229 1 12 PRO HB3 1 12 PRO HD3 3.000 . 3.500 3.013 2.955 3.085 . 0 0 "[ . 1 . 2]" 1
230 1 12 PRO HB3 1 13 TRP H 5.000 3.000 5.500 4.255 4.196 4.305 . 0 0 "[ . 1 . 2]" 1
231 1 12 PRO HB3 1 14 LEU H 5.000 3.000 5.500 5.513 5.446 5.563 0.063 17 0 "[ . 1 . 2]" 1
232 1 12 PRO HD2 1 12 PRO HG2 3.000 . 3.500 2.322 2.301 2.333 . 0 0 "[ . 1 . 2]" 1
233 1 12 PRO HD2 1 12 PRO HG3 3.000 . 3.500 2.720 2.708 2.737 . 0 0 "[ . 1 . 2]" 1
234 1 12 PRO HD2 1 13 TRP H 3.000 . 3.500 2.745 2.682 2.799 . 0 0 "[ . 1 . 2]" 1
235 1 12 PRO HD2 1 13 TRP HE3 3.000 . 3.500 2.678 2.564 2.795 . 0 0 "[ . 1 . 2]" 1
236 1 12 PRO HD2 1 13 TRP HH2 4.000 . 4.500 4.013 3.922 4.156 . 0 0 "[ . 1 . 2]" 1
237 1 12 PRO HD2 1 13 TRP HZ3 3.000 . 3.500 2.657 2.603 2.719 . 0 0 "[ . 1 . 2]" 1
238 1 12 PRO HD3 1 12 PRO HG2 3.000 . 3.500 2.999 2.981 3.006 . 0 0 "[ . 1 . 2]" 1
239 1 12 PRO HD3 1 12 PRO HG3 2.500 . 2.800 2.318 2.301 2.327 . 0 0 "[ . 1 . 2]" 1
240 1 12 PRO HD3 1 13 TRP HZ3 5.000 3.000 5.500 4.100 4.037 4.185 . 0 0 "[ . 1 . 2]" 1
241 1 12 PRO HG2 1 13 TRP H 3.000 . 3.500 2.681 2.512 2.852 . 0 0 "[ . 1 . 2]" 1
242 1 12 PRO HG2 1 13 TRP HA 5.000 3.000 5.500 4.373 4.246 4.533 . 0 0 "[ . 1 . 2]" 1
243 1 12 PRO HG2 1 13 TRP HE3 3.000 . 3.500 2.759 2.670 2.871 . 0 0 "[ . 1 . 2]" 1
244 1 12 PRO HG2 1 13 TRP HZ3 4.000 . 4.500 3.966 3.841 4.119 . 0 0 "[ . 1 . 2]" 1
245 1 12 PRO HG3 1 13 TRP H 4.000 . 4.500 4.111 3.985 4.229 . 0 0 "[ . 1 . 2]" 1
246 1 12 PRO HG3 1 13 TRP HE3 5.000 3.000 5.500 4.215 4.101 4.304 . 0 0 "[ . 1 . 2]" 1
247 1 12 PRO HG3 1 13 TRP HZ3 5.000 3.000 5.500 4.553 4.466 4.716 . 0 0 "[ . 1 . 2]" 1
248 1 13 TRP H 1 13 TRP HA 3.000 . 3.500 2.844 2.830 2.859 . 0 0 "[ . 1 . 2]" 1
249 1 13 TRP H 1 13 TRP HB2 3.000 . 3.500 3.585 3.576 3.594 0.094 11 0 "[ . 1 . 2]" 1
250 1 13 TRP H 1 13 TRP HB3 3.000 . 3.500 2.655 2.601 2.699 . 0 0 "[ . 1 . 2]" 1
251 1 13 TRP H 1 13 TRP HE3 3.000 . 3.500 2.546 2.469 2.626 . 0 0 "[ . 1 . 2]" 1
252 1 13 TRP H 1 14 LEU H 2.500 . 2.800 2.577 2.541 2.614 . 0 0 "[ . 1 . 2]" 1
253 1 13 TRP H 1 14 LEU HB2 5.000 3.000 5.500 4.439 4.386 4.496 . 0 0 "[ . 1 . 2]" 1
254 1 13 TRP H 1 14 LEU MD1 5.000 3.000 5.500 5.249 5.164 5.331 . 0 0 "[ . 1 . 2]" 1
255 1 13 TRP H 1 14 LEU HG 5.000 3.000 5.500 5.031 4.907 5.160 . 0 0 "[ . 1 . 2]" 1
256 1 13 TRP HA 1 13 TRP HB2 2.500 . 2.800 2.490 2.467 2.510 . 0 0 "[ . 1 . 2]" 1
257 1 13 TRP HA 1 13 TRP HB3 2.500 . 2.800 2.426 2.411 2.452 . 0 0 "[ . 1 . 2]" 1
258 1 13 TRP HA 1 13 TRP HE3 4.000 . 4.500 4.366 4.338 4.411 . 0 0 "[ . 1 . 2]" 1
259 1 13 TRP HA 1 14 LEU H 3.000 . 3.500 3.435 3.404 3.467 . 0 0 "[ . 1 . 2]" 1
260 1 13 TRP HB2 1 13 TRP HD1 3.000 . 3.500 2.692 2.681 2.705 . 0 0 "[ . 1 . 2]" 1
261 1 13 TRP HB2 1 13 TRP HE3 4.000 . 4.500 4.097 4.084 4.109 . 0 0 "[ . 1 . 2]" 1
262 1 13 TRP HB3 1 13 TRP HE3 3.000 . 3.500 2.560 2.547 2.571 . 0 0 "[ . 1 . 2]" 1
263 1 13 TRP HD1 1 14 LEU MD2 3.000 . 3.500 3.408 3.353 3.489 . 0 0 "[ . 1 . 2]" 1
264 1 13 TRP HD1 1 14 LEU HG 3.000 . 3.500 2.218 2.103 2.400 . 0 0 "[ . 1 . 2]" 1
265 1 13 TRP HE1 1 14 LEU HB3 5.000 3.000 5.500 5.203 5.103 5.303 . 0 0 "[ . 1 . 2]" 1
266 1 13 TRP HE1 1 14 LEU MD1 4.000 . 4.500 2.653 2.534 2.733 . 0 0 "[ . 1 . 2]" 1
267 1 13 TRP HE1 1 14 LEU HG 4.000 . 4.500 2.515 2.261 2.685 . 0 0 "[ . 1 . 2]" 1
268 1 13 TRP HZ2 1 14 LEU MD1 5.000 3.000 5.500 3.951 3.709 4.154 . 0 0 "[ . 1 . 2]" 1
269 1 14 LEU H 1 14 LEU HA 3.000 . 3.500 2.892 2.861 2.911 . 0 0 "[ . 1 . 2]" 1
270 1 14 LEU H 1 14 LEU HB2 2.500 . 2.800 2.182 2.140 2.231 . 0 0 "[ . 1 . 2]" 1
271 1 14 LEU H 1 14 LEU HB3 3.000 . 3.500 3.455 3.433 3.480 . 0 0 "[ . 1 . 2]" 1
272 1 14 LEU H 1 15 PRO HD2 5.000 3.000 5.500 5.149 5.057 5.194 . 0 0 "[ . 1 . 2]" 1
273 1 14 LEU H 1 15 PRO HD3 4.000 . 4.500 4.395 4.277 4.467 . 0 0 "[ . 1 . 2]" 1
274 1 14 LEU HA 1 14 LEU HB2 3.000 . 3.500 2.951 2.941 2.962 . 0 0 "[ . 1 . 2]" 1
275 1 14 LEU HA 1 14 LEU HB3 3.000 . 3.500 2.699 2.679 2.716 . 0 0 "[ . 1 . 2]" 1
276 1 14 LEU HA 1 14 LEU MD2 3.000 . 3.500 2.019 2.003 2.030 . 0 0 "[ . 1 . 2]" 1
277 1 14 LEU HA 1 14 LEU HG 3.000 . 3.500 2.431 2.390 2.474 . 0 0 "[ . 1 . 2]" 1
278 1 14 LEU HA 1 15 PRO HD2 2.500 . 2.800 2.450 2.370 2.501 . 0 0 "[ . 1 . 2]" 1
279 1 14 LEU HA 1 15 PRO HD3 2.500 . 2.800 2.117 2.092 2.142 . 0 0 "[ . 1 . 2]" 1
280 1 14 LEU HA 1 15 PRO HG2 5.000 3.000 5.500 4.477 4.411 4.521 . 0 0 "[ . 1 . 2]" 1
281 1 14 LEU HA 1 15 PRO HG3 5.000 3.000 5.500 4.319 4.284 4.346 . 0 0 "[ . 1 . 2]" 1
282 1 14 LEU HA 1 16 GLY H 5.000 3.000 5.500 3.967 3.890 4.054 . 0 0 "[ . 1 . 2]" 1
283 1 14 LEU HB2 1 14 LEU MD1 3.000 . 3.500 2.266 2.214 2.317 . 0 0 "[ . 1 . 2]" 1
284 1 14 LEU HB2 1 14 LEU HG 2.500 . 2.800 2.552 2.543 2.568 . 0 0 "[ . 1 . 2]" 1
285 1 14 LEU HB2 1 15 PRO HD2 5.000 3.000 5.500 4.893 4.810 4.949 . 0 0 "[ . 1 . 2]" 1
286 1 14 LEU HB2 1 15 PRO HD3 5.000 3.000 5.500 4.916 4.875 4.947 . 0 0 "[ . 1 . 2]" 1
287 1 14 LEU HB2 1 16 GLY H 5.000 3.000 5.500 4.781 4.742 4.817 . 0 0 "[ . 1 . 2]" 1
288 1 14 LEU HB2 1 17 CYS H 4.000 . 4.500 3.425 3.357 3.496 . 0 0 "[ . 1 . 2]" 1
289 1 14 LEU HB3 1 14 LEU MD1 2.500 . 2.800 2.480 2.441 2.516 . 0 0 "[ . 1 . 2]" 1
290 1 14 LEU HB3 1 15 PRO HD2 4.000 . 4.500 3.767 3.679 3.831 . 0 0 "[ . 1 . 2]" 1
291 1 14 LEU HB3 1 15 PRO HD3 4.000 . 4.500 4.373 4.326 4.397 . 0 0 "[ . 1 . 2]" 1
292 1 14 LEU HB3 1 16 GLY H 4.000 . 4.500 3.188 3.141 3.219 . 0 0 "[ . 1 . 2]" 1
293 1 14 LEU HB3 1 17 CYS H 4.000 . 4.500 2.348 2.295 2.439 . 0 0 "[ . 1 . 2]" 1
294 1 14 LEU MD1 1 17 CYS HB3 5.000 3.000 6.000 4.923 4.804 5.129 . 0 0 "[ . 1 . 2]" 1
295 1 14 LEU MD2 1 15 PRO HD2 4.000 . 4.500 2.413 2.266 2.532 . 0 0 "[ . 1 . 2]" 1
296 1 14 LEU MD2 1 15 PRO HD3 4.000 . 4.500 3.115 3.042 3.193 . 0 0 "[ . 1 . 2]" 1
297 1 14 LEU MD2 1 16 GLY H 5.000 3.000 5.500 3.278 3.187 3.377 . 0 0 "[ . 1 . 2]" 1
298 1 14 LEU MD2 1 17 CYS H 5.000 3.000 5.500 3.872 3.780 3.951 . 0 0 "[ . 1 . 2]" 1
299 1 14 LEU HG 1 15 PRO HD2 5.000 3.000 5.500 4.438 4.286 4.557 . 0 0 "[ . 1 . 2]" 1
300 1 15 PRO HA 1 15 PRO HB3 2.500 . 2.800 2.317 2.303 2.327 . 0 0 "[ . 1 . 2]" 1
301 1 15 PRO HA 1 15 PRO HG2 4.000 . 4.500 3.908 3.889 3.934 . 0 0 "[ . 1 . 2]" 1
302 1 15 PRO HA 1 16 GLY H 3.000 . 3.500 3.546 3.542 3.557 0.057 9 0 "[ . 1 . 2]" 1
303 1 15 PRO HA 1 17 CYS H 4.000 . 4.500 4.407 4.372 4.438 . 0 0 "[ . 1 . 2]" 1
304 1 15 PRO HB2 1 15 PRO HD2 4.000 . 4.500 2.959 2.902 3.025 . 0 0 "[ . 1 . 2]" 1
305 1 15 PRO HB2 1 15 PRO HD3 4.000 . 4.500 3.864 3.843 3.891 . 0 0 "[ . 1 . 2]" 1
306 1 15 PRO HB2 1 16 GLY H 3.000 . 3.500 2.559 2.502 2.633 . 0 0 "[ . 1 . 2]" 1
307 1 15 PRO HB3 1 15 PRO HD2 4.000 . 4.500 3.913 3.894 3.938 . 0 0 "[ . 1 . 2]" 1
308 1 15 PRO HB3 1 15 PRO HD3 4.000 . 4.500 4.047 4.012 4.074 . 0 0 "[ . 1 . 2]" 1
309 1 15 PRO HB3 1 16 GLY H 4.000 . 4.500 3.934 3.896 3.986 . 0 0 "[ . 1 . 2]" 1
310 1 15 PRO HD2 1 15 PRO HG2 3.000 . 3.500 2.328 2.300 2.347 . 0 0 "[ . 1 . 2]" 1
311 1 15 PRO HD2 1 15 PRO HG3 3.000 . 3.500 2.994 2.977 3.007 . 0 0 "[ . 1 . 2]" 1
312 1 15 PRO HD3 1 15 PRO HG2 3.000 . 3.500 2.720 2.705 2.734 . 0 0 "[ . 1 . 2]" 1
313 1 15 PRO HD3 1 15 PRO HG3 3.000 . 3.500 2.313 2.287 2.332 . 0 0 "[ . 1 . 2]" 1
314 1 15 PRO HD3 1 16 GLY H 4.000 . 4.500 4.074 4.032 4.138 . 0 0 "[ . 1 . 2]" 1
315 1 15 PRO HG2 1 16 GLY H 4.000 . 4.500 4.035 3.969 4.084 . 0 0 "[ . 1 . 2]" 1
316 1 15 PRO HG3 1 16 GLY H 5.000 3.000 5.500 4.555 4.539 4.570 . 0 0 "[ . 1 . 2]" 1
317 1 16 GLY H 1 16 GLY HA2 2.500 . 2.800 2.820 2.813 2.826 0.026 9 0 "[ . 1 . 2]" 1
318 1 16 GLY H 1 16 GLY HA3 2.500 . 2.800 2.300 2.296 2.305 . 0 0 "[ . 1 . 2]" 1
319 1 16 GLY H 1 17 CYS H 3.000 . 3.500 2.670 2.643 2.699 . 0 0 "[ . 1 . 2]" 1
320 1 16 GLY HA2 1 17 CYS H 3.000 . 3.500 3.536 3.530 3.542 0.042 15 0 "[ . 1 . 2]" 1
321 1 16 GLY HA3 1 17 CYS H 3.000 . 3.500 2.836 2.825 2.848 . 0 0 "[ . 1 . 2]" 1
322 1 17 CYS H 1 17 CYS HA 2.500 . 2.800 2.806 2.793 2.813 0.013 8 0 "[ . 1 . 2]" 1
323 1 17 CYS H 1 17 CYS HB3 3.000 . 3.500 3.516 3.508 3.536 0.036 12 0 "[ . 1 . 2]" 1
324 1 17 CYS HA 1 17 CYS HB3 3.000 . 3.500 2.651 2.626 2.660 . 0 0 "[ . 1 . 2]" 1
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