NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
641153 |
6img   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6img
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 432
_Distance_constraint_stats_list.Viol_count 588
_Distance_constraint_stats_list.Viol_total 685.946
_Distance_constraint_stats_list.Viol_max 0.188
_Distance_constraint_stats_list.Viol_rms 0.0179
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0040
_Distance_constraint_stats_list.Viol_average_violations_only 0.0583
_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 0.588 0.119 11 0 "[ . 1 . 2]"
1 3 CYS 6.205 0.161 20 0 "[ . 1 . 2]"
1 4 PRO 2.491 0.147 20 0 "[ . 1 . 2]"
1 5 CYS 0.791 0.073 10 0 "[ . 1 . 2]"
1 6 ILE 1.874 0.076 20 0 "[ . 1 . 2]"
1 7 TRP 1.952 0.107 19 0 "[ . 1 . 2]"
1 8 PRO 9.637 0.188 20 0 "[ . 1 . 2]"
1 9 GLU 1.670 0.093 8 0 "[ . 1 . 2]"
1 10 LEU 1.062 0.107 19 0 "[ . 1 . 2]"
1 11 CYS 2.992 0.123 5 0 "[ . 1 . 2]"
1 12 PRO 4.182 0.150 18 0 "[ . 1 . 2]"
1 13 TRP 4.796 0.150 18 0 "[ . 1 . 2]"
1 14 ILE 7.409 0.168 17 0 "[ . 1 . 2]"
1 15 ARG 3.350 0.089 1 0 "[ . 1 . 2]"
1 16 SER 1.469 0.087 20 0 "[ . 1 . 2]"
1 17 CYS 8.279 0.188 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 2 GLY H 1 2 GLY HA2 3.000 . 3.500 2.641 2.308 2.964 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLY H 1 2 GLY HA3 3.000 . 3.500 2.747 2.303 2.919 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLY H 1 3 CYS H 4.000 . 4.500 4.381 2.664 4.619 0.119 11 0 "[ . 1 . 2]" 1
4 1 2 GLY HA2 1 3 CYS H 2.500 . 2.800 2.577 2.293 2.783 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLY HA3 1 3 CYS H 3.000 . 3.500 2.641 2.433 3.547 0.047 9 0 "[ . 1 . 2]" 1
6 1 3 CYS H 1 3 CYS HA 3.000 . 3.500 2.798 2.754 2.814 . 0 0 "[ . 1 . 2]" 1
7 1 3 CYS H 1 3 CYS HB2 2.500 . 2.800 2.477 2.414 2.534 . 0 0 "[ . 1 . 2]" 1
8 1 3 CYS H 1 3 CYS HB3 2.500 . 2.800 2.616 2.580 2.686 . 0 0 "[ . 1 . 2]" 1
9 1 3 CYS H 1 4 PRO HD2 5.000 3.000 5.500 4.900 4.810 4.956 . 0 0 "[ . 1 . 2]" 1
10 1 3 CYS H 1 14 ILE MG 5.000 3.000 5.500 5.180 5.102 5.256 . 0 0 "[ . 1 . 2]" 1
11 1 3 CYS H 1 16 SER QB 3.000 . 4.000 2.977 2.633 3.885 . 0 0 "[ . 1 . 2]" 1
12 1 3 CYS H 1 17 CYS H 5.000 3.000 6.000 5.601 5.459 5.740 . 0 0 "[ . 1 . 2]" 1
13 1 3 CYS H 1 17 CYS HA 5.000 3.000 5.500 4.971 4.895 5.010 . 0 0 "[ . 1 . 2]" 1
14 1 3 CYS HA 1 3 CYS HB2 3.000 . 3.500 2.482 2.463 2.520 . 0 0 "[ . 1 . 2]" 1
15 1 3 CYS HA 1 3 CYS HB3 3.000 . 3.500 3.016 3.005 3.024 . 0 0 "[ . 1 . 2]" 1
16 1 3 CYS HA 1 4 PRO HA 5.000 3.000 5.500 4.489 4.453 4.505 . 0 0 "[ . 1 . 2]" 1
17 1 3 CYS HA 1 4 PRO HB3 5.000 3.000 5.500 4.967 4.869 5.050 . 0 0 "[ . 1 . 2]" 1
18 1 3 CYS HA 1 4 PRO HD2 2.500 . 2.800 2.218 2.127 2.272 . 0 0 "[ . 1 . 2]" 1
19 1 3 CYS HA 1 4 PRO HD3 2.500 . 2.800 2.355 2.212 2.445 . 0 0 "[ . 1 . 2]" 1
20 1 3 CYS HA 1 4 PRO HG2 4.000 . 4.500 4.406 4.318 4.457 . 0 0 "[ . 1 . 2]" 1
21 1 3 CYS HA 1 4 PRO HG3 4.000 . 4.500 4.455 4.340 4.503 0.003 17 0 "[ . 1 . 2]" 1
22 1 3 CYS HA 1 5 CYS H 4.000 . 4.500 3.813 3.760 3.875 . 0 0 "[ . 1 . 2]" 1
23 1 3 CYS HA 1 14 ILE HB 5.000 3.000 5.500 5.520 5.448 5.600 0.100 2 0 "[ . 1 . 2]" 1
24 1 3 CYS HA 1 14 ILE MD 5.000 3.000 6.000 5.283 5.191 5.343 . 0 0 "[ . 1 . 2]" 1
25 1 3 CYS HA 1 14 ILE MG 3.000 . 4.000 3.180 3.120 3.256 . 0 0 "[ . 1 . 2]" 1
26 1 3 CYS HA 1 16 SER H 5.000 3.000 5.500 4.593 4.496 4.749 . 0 0 "[ . 1 . 2]" 1
27 1 3 CYS HA 1 16 SER HA 5.000 3.000 5.500 4.615 4.562 4.764 . 0 0 "[ . 1 . 2]" 1
28 1 3 CYS HA 1 16 SER QB 3.000 . 3.500 1.991 1.938 2.221 . 0 0 "[ . 1 . 2]" 1
29 1 3 CYS HA 1 17 CYS H 5.000 3.000 5.500 4.317 4.244 4.397 . 0 0 "[ . 1 . 2]" 1
30 1 3 CYS HA 1 17 CYS HA 4.000 . 5.000 5.081 5.049 5.103 0.103 11 0 "[ . 1 . 2]" 1
31 1 3 CYS HB2 1 4 PRO HD2 4.000 . 4.500 3.979 3.881 4.060 . 0 0 "[ . 1 . 2]" 1
32 1 3 CYS HB2 1 8 PRO HB3 4.000 . 4.600 4.703 4.667 4.761 0.161 20 0 "[ . 1 . 2]" 1
33 1 3 CYS HB2 1 16 SER HA 5.000 3.000 5.500 3.945 3.843 4.099 . 0 0 "[ . 1 . 2]" 1
34 1 3 CYS HB2 1 16 SER QB 3.000 . 4.000 2.236 2.042 2.679 . 0 0 "[ . 1 . 2]" 1
35 1 3 CYS HB2 1 17 CYS HA 2.500 . 2.800 2.784 2.735 2.818 0.018 17 0 "[ . 1 . 2]" 1
36 1 3 CYS HB2 1 17 CYS HB3 4.000 . 5.000 4.773 4.712 4.824 . 0 0 "[ . 1 . 2]" 1
37 1 3 CYS HB3 1 4 PRO HD2 4.000 . 5.000 4.178 4.099 4.221 . 0 0 "[ . 1 . 2]" 1
38 1 3 CYS HB3 1 5 CYS H 4.000 . 4.500 3.727 3.655 3.852 . 0 0 "[ . 1 . 2]" 1
39 1 3 CYS HB3 1 8 PRO HB3 4.000 . 4.500 4.463 4.397 4.521 0.021 20 0 "[ . 1 . 2]" 1
40 1 3 CYS HB3 1 14 ILE MG 5.000 3.000 5.500 4.363 4.313 4.411 . 0 0 "[ . 1 . 2]" 1
41 1 3 CYS HB3 1 16 SER QB 4.000 . 5.000 3.562 3.379 4.021 . 0 0 "[ . 1 . 2]" 1
42 1 3 CYS HB3 1 17 CYS H 5.000 3.000 5.500 4.582 4.469 4.677 . 0 0 "[ . 1 . 2]" 1
43 1 3 CYS HB3 1 17 CYS HA 3.000 . 3.500 3.498 3.442 3.543 0.043 18 0 "[ . 1 . 2]" 1
44 1 3 CYS HB3 1 17 CYS HB3 4.000 . 5.000 5.051 4.996 5.078 0.078 15 0 "[ . 1 . 2]" 1
45 1 4 PRO HA 1 4 PRO HB2 2.500 . 2.800 2.736 2.721 2.759 . 0 0 "[ . 1 . 2]" 1
46 1 4 PRO HA 1 4 PRO HB3 2.500 . 2.800 2.302 2.291 2.309 . 0 0 "[ . 1 . 2]" 1
47 1 4 PRO HA 1 4 PRO HD2 4.000 . 4.500 4.094 4.083 4.100 . 0 0 "[ . 1 . 2]" 1
48 1 4 PRO HA 1 4 PRO HD3 4.000 . 4.500 3.609 3.535 3.673 . 0 0 "[ . 1 . 2]" 1
49 1 4 PRO HA 1 4 PRO HG2 4.000 . 4.500 3.874 3.860 3.901 . 0 0 "[ . 1 . 2]" 1
50 1 4 PRO HA 1 5 CYS H 3.000 . 3.500 3.476 3.460 3.495 . 0 0 "[ . 1 . 2]" 1
51 1 4 PRO HA 1 14 ILE MG 5.000 3.000 6.000 5.545 5.416 5.620 . 0 0 "[ . 1 . 2]" 1
52 1 4 PRO HB2 1 5 CYS H 4.000 . 4.500 3.554 3.452 3.625 . 0 0 "[ . 1 . 2]" 1
53 1 4 PRO HB2 1 5 CYS HA 5.000 3.000 5.500 4.213 4.158 4.255 . 0 0 "[ . 1 . 2]" 1
54 1 4 PRO HB3 1 4 PRO HD3 3.000 . 3.500 3.026 2.994 3.076 . 0 0 "[ . 1 . 2]" 1
55 1 4 PRO HB3 1 4 PRO HG2 2.500 . 3.000 2.979 2.972 2.983 . 0 0 "[ . 1 . 2]" 1
56 1 4 PRO HD2 1 4 PRO HG2 3.000 . 3.500 2.313 2.290 2.327 . 0 0 "[ . 1 . 2]" 1
57 1 4 PRO HD2 1 4 PRO HG3 3.000 . 3.500 2.727 2.714 2.740 . 0 0 "[ . 1 . 2]" 1
58 1 4 PRO HD2 1 5 CYS H 4.000 . 4.500 2.683 2.553 2.838 . 0 0 "[ . 1 . 2]" 1
59 1 4 PRO HD2 1 14 ILE HB 4.000 . 4.500 4.502 4.462 4.527 0.027 1 0 "[ . 1 . 2]" 1
60 1 4 PRO HD2 1 14 ILE MD 3.000 . 3.500 3.590 3.526 3.647 0.147 20 0 "[ . 1 . 2]" 1
61 1 4 PRO HD2 1 14 ILE MG 3.000 . 3.500 2.038 2.008 2.078 . 0 0 "[ . 1 . 2]" 1
62 1 4 PRO HD2 1 16 SER H 5.000 3.000 5.500 4.759 4.608 4.869 . 0 0 "[ . 1 . 2]" 1
63 1 4 PRO HD3 1 4 PRO HG2 3.000 . 3.500 2.995 2.976 3.004 . 0 0 "[ . 1 . 2]" 1
64 1 4 PRO HD3 1 4 PRO HG3 3.000 . 3.500 2.310 2.290 2.322 . 0 0 "[ . 1 . 2]" 1
65 1 4 PRO HD3 1 5 CYS H 3.000 . 4.000 3.870 3.794 3.965 . 0 0 "[ . 1 . 2]" 1
66 1 4 PRO HD3 1 14 ILE MD 3.000 . 4.500 4.522 4.449 4.567 0.067 9 0 "[ . 1 . 2]" 1
67 1 4 PRO HD3 1 14 ILE MG 3.000 . 3.500 3.371 3.300 3.419 . 0 0 "[ . 1 . 2]" 1
68 1 4 PRO HG2 1 5 CYS H 4.000 . 4.500 2.738 2.618 2.793 . 0 0 "[ . 1 . 2]" 1
69 1 4 PRO HG2 1 5 CYS HA 5.000 3.000 5.500 4.437 4.336 4.580 . 0 0 "[ . 1 . 2]" 1
70 1 4 PRO HG2 1 14 ILE MD 3.000 . 3.500 3.229 2.919 3.423 . 0 0 "[ . 1 . 2]" 1
71 1 4 PRO HG2 1 14 ILE MG 3.000 . 4.000 3.100 2.797 3.268 . 0 0 "[ . 1 . 2]" 1
72 1 4 PRO HG3 1 14 ILE MD 4.000 . 4.500 3.665 3.428 3.855 . 0 0 "[ . 1 . 2]" 1
73 1 4 PRO HG3 1 14 ILE MG 3.000 . 4.000 3.674 3.520 3.788 . 0 0 "[ . 1 . 2]" 1
74 1 5 CYS H 1 5 CYS HA 3.000 . 3.500 2.897 2.883 2.908 . 0 0 "[ . 1 . 2]" 1
75 1 5 CYS H 1 5 CYS HB2 3.000 . 3.500 2.190 2.147 2.253 . 0 0 "[ . 1 . 2]" 1
76 1 5 CYS H 1 5 CYS HB3 3.000 . 3.500 3.487 3.439 3.543 0.043 17 0 "[ . 1 . 2]" 1
77 1 5 CYS H 1 6 ILE H 5.000 3.000 5.500 4.530 4.503 4.548 . 0 0 "[ . 1 . 2]" 1
78 1 5 CYS HA 1 5 CYS HB2 3.000 . 3.500 2.976 2.956 3.001 . 0 0 "[ . 1 . 2]" 1
79 1 5 CYS HA 1 5 CYS HB3 3.000 . 3.500 2.664 2.605 2.712 . 0 0 "[ . 1 . 2]" 1
80 1 5 CYS HA 1 6 ILE H 2.500 . 2.800 2.156 2.145 2.178 . 0 0 "[ . 1 . 2]" 1
81 1 5 CYS HA 1 6 ILE HB 5.000 3.000 5.500 4.542 4.523 4.580 . 0 0 "[ . 1 . 2]" 1
82 1 5 CYS HA 1 6 ILE MD 4.000 . 5.000 4.970 4.938 5.007 0.007 20 0 "[ . 1 . 2]" 1
83 1 5 CYS HA 1 6 ILE HG12 5.000 3.000 5.500 5.342 5.320 5.374 . 0 0 "[ . 1 . 2]" 1
84 1 5 CYS HA 1 6 ILE HG13 4.000 . 4.500 3.857 3.834 3.880 . 0 0 "[ . 1 . 2]" 1
85 1 5 CYS HA 1 6 ILE MG 5.000 3.000 5.500 5.452 5.443 5.469 . 0 0 "[ . 1 . 2]" 1
86 1 5 CYS HA 1 7 TRP H 4.000 . 4.500 4.032 3.991 4.071 . 0 0 "[ . 1 . 2]" 1
87 1 5 CYS HB2 1 6 ILE H 4.000 . 4.500 4.389 4.343 4.417 . 0 0 "[ . 1 . 2]" 1
88 1 5 CYS HB2 1 8 PRO HA 4.000 . 4.500 3.795 3.615 3.989 . 0 0 "[ . 1 . 2]" 1
89 1 5 CYS HB3 1 6 ILE H 3.000 . 3.500 3.361 3.319 3.406 . 0 0 "[ . 1 . 2]" 1
90 1 5 CYS HB3 1 6 ILE HB 5.000 3.000 5.500 5.029 4.974 5.082 . 0 0 "[ . 1 . 2]" 1
91 1 5 CYS HB3 1 6 ILE HG13 5.000 3.000 5.500 5.532 5.499 5.573 0.073 10 0 "[ . 1 . 2]" 1
92 1 5 CYS HB3 1 6 ILE MG 5.000 3.000 6.000 5.591 5.570 5.612 . 0 0 "[ . 1 . 2]" 1
93 1 5 CYS HB3 1 7 TRP H 3.000 . 3.500 3.119 3.066 3.182 . 0 0 "[ . 1 . 2]" 1
94 1 5 CYS HB3 1 8 PRO HA 4.000 . 4.500 3.563 3.465 3.706 . 0 0 "[ . 1 . 2]" 1
95 1 5 CYS HB3 1 10 LEU HB2 5.000 3.000 5.500 4.608 4.389 4.784 . 0 0 "[ . 1 . 2]" 1
96 1 5 CYS HB3 1 10 LEU MD1 5.000 3.000 6.000 5.621 5.371 5.821 . 0 0 "[ . 1 . 2]" 1
97 1 5 CYS HB3 1 11 CYS H 5.000 3.000 5.500 4.439 4.184 4.545 . 0 0 "[ . 1 . 2]" 1
98 1 5 CYS HB3 1 14 ILE HG13 5.000 3.000 5.500 4.564 4.405 4.768 . 0 0 "[ . 1 . 2]" 1
99 1 6 ILE H 1 6 ILE HA 3.000 . 3.500 2.823 2.814 2.830 . 0 0 "[ . 1 . 2]" 1
100 1 6 ILE H 1 6 ILE HB 3.000 . 3.500 2.424 2.410 2.430 . 0 0 "[ . 1 . 2]" 1
101 1 6 ILE H 1 6 ILE MD 4.000 . 4.500 3.423 3.402 3.452 . 0 0 "[ . 1 . 2]" 1
102 1 6 ILE H 1 6 ILE HG12 3.000 . 3.500 3.561 3.545 3.576 0.076 20 0 "[ . 1 . 2]" 1
103 1 6 ILE H 1 6 ILE HG13 3.000 . 3.500 2.205 2.187 2.231 . 0 0 "[ . 1 . 2]" 1
104 1 6 ILE H 1 6 ILE MG 3.000 . 4.000 3.733 3.728 3.739 . 0 0 "[ . 1 . 2]" 1
105 1 6 ILE H 1 7 TRP H 3.000 . 3.500 2.684 2.664 2.708 . 0 0 "[ . 1 . 2]" 1
106 1 6 ILE H 1 7 TRP HA 5.000 3.000 5.500 5.271 5.250 5.289 . 0 0 "[ . 1 . 2]" 1
107 1 6 ILE HA 1 6 ILE HB 3.000 . 3.500 3.026 3.021 3.030 . 0 0 "[ . 1 . 2]" 1
108 1 6 ILE HA 1 6 ILE MD 4.000 . 4.500 3.802 3.795 3.812 . 0 0 "[ . 1 . 2]" 1
109 1 6 ILE HA 1 6 ILE HG12 3.000 . 3.500 2.519 2.503 2.536 . 0 0 "[ . 1 . 2]" 1
110 1 6 ILE HA 1 6 ILE HG13 3.000 . 3.500 2.814 2.793 2.829 . 0 0 "[ . 1 . 2]" 1
111 1 6 ILE HA 1 6 ILE MG 3.000 . 3.500 2.387 2.374 2.403 . 0 0 "[ . 1 . 2]" 1
112 1 6 ILE HA 1 7 TRP HA 5.000 3.000 5.500 4.564 4.548 4.598 . 0 0 "[ . 1 . 2]" 1
113 1 6 ILE HB 1 6 ILE MD 3.000 . 3.500 2.286 2.222 2.334 . 0 0 "[ . 1 . 2]" 1
114 1 6 ILE HB 1 6 ILE HG12 3.000 . 3.500 3.030 3.026 3.032 . 0 0 "[ . 1 . 2]" 1
115 1 6 ILE HB 1 6 ILE HG13 2.500 . 2.800 2.537 2.531 2.546 . 0 0 "[ . 1 . 2]" 1
116 1 6 ILE HB 1 7 TRP H 3.000 . 3.500 2.530 2.508 2.571 . 0 0 "[ . 1 . 2]" 1
117 1 6 ILE HB 1 7 TRP HD1 3.000 . 3.500 2.440 2.339 2.622 . 0 0 "[ . 1 . 2]" 1
118 1 6 ILE MD 1 6 ILE MG 3.000 . 3.500 1.890 1.827 1.993 . 0 0 "[ . 1 . 2]" 1
119 1 6 ILE MD 1 7 TRP HD1 4.000 . 4.500 3.730 3.656 3.856 . 0 0 "[ . 1 . 2]" 1
120 1 6 ILE MD 1 7 TRP HE1 4.000 . 4.500 3.698 3.583 3.833 . 0 0 "[ . 1 . 2]" 1
121 1 6 ILE MD 1 7 TRP HZ2 5.000 3.000 6.000 5.598 5.449 5.807 . 0 0 "[ . 1 . 2]" 1
122 1 6 ILE HG12 1 6 ILE MG 3.000 . 3.500 2.316 2.303 2.334 . 0 0 "[ . 1 . 2]" 1
123 1 6 ILE HG12 1 7 TRP H 5.000 3.000 5.500 4.994 4.981 5.009 . 0 0 "[ . 1 . 2]" 1
124 1 6 ILE HG13 1 6 ILE MG 3.000 . 3.500 3.189 3.187 3.194 . 0 0 "[ . 1 . 2]" 1
125 1 6 ILE HG13 1 7 TRP H 4.000 . 4.500 4.305 4.288 4.320 . 0 0 "[ . 1 . 2]" 1
126 1 6 ILE MG 1 7 TRP H 3.000 . 3.500 3.247 3.222 3.282 . 0 0 "[ . 1 . 2]" 1
127 1 6 ILE MG 1 7 TRP HA 4.000 . 4.500 3.504 3.469 3.546 . 0 0 "[ . 1 . 2]" 1
128 1 6 ILE MG 1 7 TRP HB2 5.000 3.000 5.500 4.333 4.287 4.391 . 0 0 "[ . 1 . 2]" 1
129 1 6 ILE MG 1 7 TRP HB3 4.000 . 5.000 4.683 4.648 4.717 . 0 0 "[ . 1 . 2]" 1
130 1 6 ILE MG 1 7 TRP HD1 4.000 . 4.500 2.836 2.738 2.971 . 0 0 "[ . 1 . 2]" 1
131 1 6 ILE MG 1 7 TRP HE1 4.000 . 4.500 2.601 2.546 2.699 . 0 0 "[ . 1 . 2]" 1
132 1 6 ILE MG 1 7 TRP HE3 5.000 3.000 5.500 4.791 4.651 4.918 . 0 0 "[ . 1 . 2]" 1
133 1 6 ILE MG 1 7 TRP HZ2 4.000 . 4.500 3.927 3.814 4.035 . 0 0 "[ . 1 . 2]" 1
134 1 6 ILE MG 1 8 PRO QD 5.000 3.000 5.500 4.387 4.334 4.432 . 0 0 "[ . 1 . 2]" 1
135 1 7 TRP H 1 7 TRP HA 3.000 . 3.500 2.941 2.927 2.951 . 0 0 "[ . 1 . 2]" 1
136 1 7 TRP H 1 7 TRP HB2 3.000 . 3.500 2.533 2.502 2.567 . 0 0 "[ . 1 . 2]" 1
137 1 7 TRP H 1 7 TRP HB3 3.000 . 4.000 3.705 3.687 3.720 . 0 0 "[ . 1 . 2]" 1
138 1 7 TRP H 1 8 PRO QD 4.000 . 4.500 4.078 4.018 4.111 . 0 0 "[ . 1 . 2]" 1
139 1 7 TRP H 1 10 LEU HB2 5.000 3.000 5.500 4.211 4.038 4.303 . 0 0 "[ . 1 . 2]" 1
140 1 7 TRP H 1 10 LEU MD1 5.000 3.000 6.000 4.083 3.921 4.223 . 0 0 "[ . 1 . 2]" 1
141 1 7 TRP HA 1 7 TRP HB2 3.000 . 3.500 3.017 3.000 3.032 . 0 0 "[ . 1 . 2]" 1
142 1 7 TRP HA 1 7 TRP HB3 3.000 . 3.500 2.460 2.437 2.479 . 0 0 "[ . 1 . 2]" 1
143 1 7 TRP HA 1 7 TRP HD1 4.000 . 4.500 4.051 3.988 4.139 . 0 0 "[ . 1 . 2]" 1
144 1 7 TRP HA 1 7 TRP HE3 3.000 . 3.500 3.175 3.013 3.288 . 0 0 "[ . 1 . 2]" 1
145 1 7 TRP HA 1 8 PRO HB2 5.000 3.000 5.500 5.563 5.501 5.587 0.087 16 0 "[ . 1 . 2]" 1
146 1 7 TRP HA 1 8 PRO QD 2.500 . 2.800 1.977 1.917 2.003 . 0 0 "[ . 1 . 2]" 1
147 1 7 TRP HA 1 8 PRO QG 3.000 . 4.000 3.897 3.839 3.929 . 0 0 "[ . 1 . 2]" 1
148 1 7 TRP HA 1 9 GLU H 4.000 . 4.500 3.630 3.581 3.676 . 0 0 "[ . 1 . 2]" 1
149 1 7 TRP HA 1 10 LEU H 5.000 3.000 5.500 4.499 4.374 4.580 . 0 0 "[ . 1 . 2]" 1
150 1 7 TRP HA 1 10 LEU MD1 4.000 . 5.000 4.691 4.562 4.792 . 0 0 "[ . 1 . 2]" 1
151 1 7 TRP HA 1 10 LEU HG 5.000 3.000 5.500 4.971 4.800 5.102 . 0 0 "[ . 1 . 2]" 1
152 1 7 TRP HB2 1 7 TRP HD1 3.000 . 3.500 2.652 2.620 2.673 . 0 0 "[ . 1 . 2]" 1
153 1 7 TRP HB2 1 7 TRP HE1 5.000 3.000 5.500 4.780 4.770 4.789 . 0 0 "[ . 1 . 2]" 1
154 1 7 TRP HB2 1 7 TRP HE3 4.000 . 4.500 4.147 4.126 4.178 . 0 0 "[ . 1 . 2]" 1
155 1 7 TRP HB2 1 8 PRO QD 3.000 . 4.500 4.286 4.187 4.336 . 0 0 "[ . 1 . 2]" 1
156 1 7 TRP HB2 1 9 GLU H 4.000 . 4.500 4.258 4.160 4.337 . 0 0 "[ . 1 . 2]" 1
157 1 7 TRP HB2 1 9 GLU QG 4.000 . 4.500 3.443 3.335 3.562 . 0 0 "[ . 1 . 2]" 1
158 1 7 TRP HB2 1 10 LEU H 3.000 . 3.500 3.332 3.194 3.455 . 0 0 "[ . 1 . 2]" 1
159 1 7 TRP HB2 1 10 LEU HA 5.000 3.000 5.500 5.184 4.990 5.327 . 0 0 "[ . 1 . 2]" 1
160 1 7 TRP HB2 1 10 LEU HB2 3.000 . 3.500 2.644 2.435 2.838 . 0 0 "[ . 1 . 2]" 1
161 1 7 TRP HB2 1 10 LEU HB3 4.000 . 4.500 4.149 3.919 4.315 . 0 0 "[ . 1 . 2]" 1
162 1 7 TRP HB2 1 10 LEU MD1 2.500 . 3.300 2.103 2.034 2.222 . 0 0 "[ . 1 . 2]" 1
163 1 7 TRP HB2 1 10 LEU MD2 4.000 . 4.500 4.303 4.138 4.424 . 0 0 "[ . 1 . 2]" 1
164 1 7 TRP HB2 1 10 LEU HG 3.000 . 3.500 2.864 2.652 3.042 . 0 0 "[ . 1 . 2]" 1
165 1 7 TRP HB3 1 7 TRP HE1 5.000 3.000 5.500 5.248 5.239 5.256 . 0 0 "[ . 1 . 2]" 1
166 1 7 TRP HB3 1 7 TRP HE3 3.000 . 3.500 2.614 2.587 2.669 . 0 0 "[ . 1 . 2]" 1
167 1 7 TRP HB3 1 8 PRO QD 3.000 . 4.000 3.380 3.232 3.476 . 0 0 "[ . 1 . 2]" 1
168 1 7 TRP HB3 1 9 GLU H 4.000 . 4.500 3.154 3.087 3.205 . 0 0 "[ . 1 . 2]" 1
169 1 7 TRP HB3 1 10 LEU H 3.000 . 3.500 3.187 3.007 3.327 . 0 0 "[ . 1 . 2]" 1
170 1 7 TRP HB3 1 10 LEU HB2 4.000 . 4.500 3.700 3.521 3.855 . 0 0 "[ . 1 . 2]" 1
171 1 7 TRP HB3 1 10 LEU MD1 2.500 . 3.300 2.930 2.795 3.033 . 0 0 "[ . 1 . 2]" 1
172 1 7 TRP HB3 1 10 LEU MD2 4.000 . 4.500 4.259 4.109 4.366 . 0 0 "[ . 1 . 2]" 1
173 1 7 TRP HD1 1 10 LEU HB2 5.000 3.000 5.500 4.733 4.470 4.991 . 0 0 "[ . 1 . 2]" 1
174 1 7 TRP HE1 1 10 LEU MD1 5.000 3.000 5.500 4.663 4.340 4.889 . 0 0 "[ . 1 . 2]" 1
175 1 7 TRP HE3 1 8 PRO QD 3.000 . 4.000 3.462 3.175 3.645 . 0 0 "[ . 1 . 2]" 1
176 1 7 TRP HE3 1 10 LEU MD1 4.000 . 4.500 4.534 4.485 4.607 0.107 19 0 "[ . 1 . 2]" 1
177 1 7 TRP HE3 1 10 LEU MD2 5.000 3.000 6.000 5.631 5.528 5.816 . 0 0 "[ . 1 . 2]" 1
178 1 7 TRP HE3 1 10 LEU HG 5.000 3.000 5.500 4.742 4.657 4.863 . 0 0 "[ . 1 . 2]" 1
179 1 7 TRP HH2 1 7 TRP HZ3 2.500 . 2.800 2.480 2.478 2.481 . 0 0 "[ . 1 . 2]" 1
180 1 8 PRO HA 1 8 PRO HB2 2.500 . 2.800 2.737 2.723 2.749 . 0 0 "[ . 1 . 2]" 1
181 1 8 PRO HA 1 8 PRO HB3 2.500 . 2.800 2.310 2.299 2.323 . 0 0 "[ . 1 . 2]" 1
182 1 8 PRO HA 1 9 GLU H 4.000 . 4.500 3.467 3.445 3.486 . 0 0 "[ . 1 . 2]" 1
183 1 8 PRO HA 1 11 CYS H 3.000 . 3.500 3.169 3.032 3.226 . 0 0 "[ . 1 . 2]" 1
184 1 8 PRO HA 1 14 ILE HG13 5.000 3.000 5.500 5.614 5.559 5.668 0.168 17 0 "[ . 1 . 2]" 1
185 1 8 PRO HA 1 17 CYS HA 4.000 . 4.500 4.076 3.999 4.112 . 0 0 "[ . 1 . 2]" 1
186 1 8 PRO HA 1 17 CYS HB2 4.000 . 4.500 3.306 3.240 3.382 . 0 0 "[ . 1 . 2]" 1
187 1 8 PRO HA 1 17 CYS HB3 3.000 . 3.500 2.109 2.068 2.192 . 0 0 "[ . 1 . 2]" 1
188 1 8 PRO HB2 1 8 PRO QD 3.000 . 3.500 3.547 3.541 3.550 0.050 13 0 "[ . 1 . 2]" 1
189 1 8 PRO HB2 1 9 GLU H 4.000 . 4.500 3.581 3.534 3.628 . 0 0 "[ . 1 . 2]" 1
190 1 8 PRO HB2 1 9 GLU HA 4.000 . 4.500 4.229 4.204 4.272 . 0 0 "[ . 1 . 2]" 1
191 1 8 PRO HB2 1 17 CYS H 5.000 3.000 6.000 5.652 5.616 5.721 . 0 0 "[ . 1 . 2]" 1
192 1 8 PRO HB2 1 17 CYS HA 3.000 . 3.500 3.644 3.614 3.688 0.188 20 0 "[ . 1 . 2]" 1
193 1 8 PRO HB2 1 17 CYS HB2 4.000 . 4.500 4.300 4.257 4.350 . 0 0 "[ . 1 . 2]" 1
194 1 8 PRO HB2 1 17 CYS HB3 3.000 . 3.500 2.566 2.517 2.607 . 0 0 "[ . 1 . 2]" 1
195 1 8 PRO HB3 1 17 CYS HA 3.000 . 3.500 2.561 2.504 2.638 . 0 0 "[ . 1 . 2]" 1
196 1 8 PRO HB3 1 17 CYS HB2 5.000 3.000 5.500 3.705 3.672 3.792 . 0 0 "[ . 1 . 2]" 1
197 1 8 PRO HB3 1 17 CYS HB3 3.000 . 3.500 2.279 2.252 2.326 . 0 0 "[ . 1 . 2]" 1
198 1 8 PRO QD 1 9 GLU H 3.000 . 3.500 2.697 2.570 2.765 . 0 0 "[ . 1 . 2]" 1
199 1 8 PRO QD 1 9 GLU QG 4.000 . 4.500 3.738 3.557 3.838 . 0 0 "[ . 1 . 2]" 1
200 1 8 PRO QD 1 10 LEU MD1 5.000 3.000 5.500 5.475 5.318 5.568 0.068 17 0 "[ . 1 . 2]" 1
201 1 9 GLU H 1 9 GLU HA 3.000 . 3.500 2.860 2.854 2.870 . 0 0 "[ . 1 . 2]" 1
202 1 9 GLU H 1 9 GLU HB2 3.000 . 3.500 3.583 3.576 3.593 0.093 8 0 "[ . 1 . 2]" 1
203 1 9 GLU H 1 9 GLU HB3 2.500 . 2.800 2.469 2.440 2.506 . 0 0 "[ . 1 . 2]" 1
204 1 9 GLU H 1 9 GLU QG 3.000 . 3.500 2.108 2.065 2.160 . 0 0 "[ . 1 . 2]" 1
205 1 9 GLU H 1 10 LEU H 3.000 . 3.500 2.503 2.418 2.543 . 0 0 "[ . 1 . 2]" 1
206 1 9 GLU H 1 10 LEU HA 5.000 3.000 5.500 5.155 5.092 5.180 . 0 0 "[ . 1 . 2]" 1
207 1 9 GLU H 1 10 LEU HB2 5.000 3.000 5.500 4.784 4.674 4.831 . 0 0 "[ . 1 . 2]" 1
208 1 9 GLU H 1 10 LEU MD1 5.000 3.000 5.500 5.027 4.950 5.069 . 0 0 "[ . 1 . 2]" 1
209 1 9 GLU H 1 10 LEU MD2 5.000 3.000 5.500 4.891 4.804 5.028 . 0 0 "[ . 1 . 2]" 1
210 1 9 GLU H 1 10 LEU HG 4.000 . 4.500 3.912 3.817 4.008 . 0 0 "[ . 1 . 2]" 1
211 1 9 GLU H 1 11 CYS H 4.000 . 4.500 3.910 3.746 3.987 . 0 0 "[ . 1 . 2]" 1
212 1 9 GLU HA 1 9 GLU HB2 2.500 . 2.800 2.395 2.383 2.403 . 0 0 "[ . 1 . 2]" 1
213 1 9 GLU HA 1 9 GLU HB3 2.500 . 2.800 2.522 2.510 2.538 . 0 0 "[ . 1 . 2]" 1
214 1 9 GLU HA 1 9 GLU QG 3.000 . 3.500 3.290 3.284 3.295 . 0 0 "[ . 1 . 2]" 1
215 1 9 GLU HA 1 10 LEU H 4.000 . 4.500 3.449 3.428 3.459 . 0 0 "[ . 1 . 2]" 1
216 1 9 GLU HA 1 10 LEU HA 5.000 3.000 5.500 4.622 4.600 4.644 . 0 0 "[ . 1 . 2]" 1
217 1 9 GLU HA 1 10 LEU MD2 5.000 3.000 5.500 4.742 4.651 4.868 . 0 0 "[ . 1 . 2]" 1
218 1 9 GLU HA 1 11 CYS H 4.000 . 4.500 3.932 3.884 4.103 . 0 0 "[ . 1 . 2]" 1
219 1 9 GLU HB2 1 9 GLU QG 2.500 . 2.800 2.317 2.299 2.327 . 0 0 "[ . 1 . 2]" 1
220 1 9 GLU HB2 1 10 LEU H 4.000 . 4.500 4.162 4.107 4.198 . 0 0 "[ . 1 . 2]" 1
221 1 9 GLU HB2 1 10 LEU HA 5.000 3.000 5.500 4.827 4.811 4.852 . 0 0 "[ . 1 . 2]" 1
222 1 9 GLU HB2 1 10 LEU MD2 4.000 . 4.500 3.942 3.837 4.090 . 0 0 "[ . 1 . 2]" 1
223 1 9 GLU HB3 1 9 GLU QG 2.500 . 2.800 2.408 2.397 2.426 . 0 0 "[ . 1 . 2]" 1
224 1 9 GLU HB3 1 10 LEU H 4.000 . 4.500 4.078 4.018 4.132 . 0 0 "[ . 1 . 2]" 1
225 1 9 GLU QG 1 10 LEU H 4.000 . 4.500 2.425 2.342 2.510 . 0 0 "[ . 1 . 2]" 1
226 1 9 GLU QG 1 10 LEU HA 5.000 3.000 5.500 3.426 3.363 3.471 . 0 0 "[ . 1 . 2]" 1
227 1 9 GLU QG 1 10 LEU MD1 5.000 3.000 5.500 3.246 3.212 3.278 . 0 0 "[ . 1 . 2]" 1
228 1 9 GLU QG 1 10 LEU MD2 4.000 . 4.500 2.292 2.188 2.440 . 0 0 "[ . 1 . 2]" 1
229 1 9 GLU QG 1 10 LEU HG 4.000 . 4.500 1.942 1.915 1.955 . 0 0 "[ . 1 . 2]" 1
230 1 10 LEU H 1 10 LEU HA 3.000 . 3.500 2.941 2.929 2.947 . 0 0 "[ . 1 . 2]" 1
231 1 10 LEU H 1 10 LEU HB2 2.500 . 2.800 2.527 2.497 2.551 . 0 0 "[ . 1 . 2]" 1
232 1 10 LEU H 1 10 LEU HB3 3.000 . 4.000 3.672 3.646 3.686 . 0 0 "[ . 1 . 2]" 1
233 1 10 LEU H 1 10 LEU MD2 4.000 . 4.500 3.451 3.392 3.542 . 0 0 "[ . 1 . 2]" 1
234 1 10 LEU H 1 10 LEU HG 3.000 . 3.500 2.432 2.391 2.481 . 0 0 "[ . 1 . 2]" 1
235 1 10 LEU H 1 11 CYS H 2.500 . 2.800 2.234 2.152 2.298 . 0 0 "[ . 1 . 2]" 1
236 1 10 LEU HA 1 10 LEU HB2 3.000 . 3.500 3.030 3.026 3.033 . 0 0 "[ . 1 . 2]" 1
237 1 10 LEU HA 1 10 LEU HB3 2.500 . 2.800 2.444 2.432 2.460 . 0 0 "[ . 1 . 2]" 1
238 1 10 LEU HA 1 10 LEU MD1 4.000 . 4.500 3.814 3.807 3.819 . 0 0 "[ . 1 . 2]" 1
239 1 10 LEU HA 1 10 LEU MD2 2.500 . 2.800 2.023 2.010 2.031 . 0 0 "[ . 1 . 2]" 1
240 1 10 LEU HA 1 10 LEU HG 3.000 . 3.500 3.064 3.009 3.097 . 0 0 "[ . 1 . 2]" 1
241 1 10 LEU HA 1 11 CYS H 3.000 . 3.500 3.343 3.319 3.418 . 0 0 "[ . 1 . 2]" 1
242 1 10 LEU HA 1 11 CYS HA 4.000 . 4.500 4.509 4.501 4.520 0.020 5 0 "[ . 1 . 2]" 1
243 1 10 LEU HA 1 12 PRO HD2 4.000 . 4.500 4.321 4.206 4.384 . 0 0 "[ . 1 . 2]" 1
244 1 10 LEU HA 1 12 PRO HD3 3.000 . 3.500 3.248 3.174 3.298 . 0 0 "[ . 1 . 2]" 1
245 1 10 LEU HB2 1 10 LEU MD1 3.000 . 3.500 2.340 2.285 2.401 . 0 0 "[ . 1 . 2]" 1
246 1 10 LEU HB2 1 10 LEU MD2 3.000 . 3.500 3.202 3.197 3.206 . 0 0 "[ . 1 . 2]" 1
247 1 10 LEU HB2 1 10 LEU HG 3.000 . 3.500 2.481 2.468 2.497 . 0 0 "[ . 1 . 2]" 1
248 1 10 LEU HB2 1 11 CYS H 4.000 . 4.500 3.430 3.184 3.512 . 0 0 "[ . 1 . 2]" 1
249 1 10 LEU HB3 1 10 LEU MD1 2.500 . 2.800 2.393 2.343 2.441 . 0 0 "[ . 1 . 2]" 1
250 1 10 LEU HB3 1 10 LEU MD2 3.000 . 3.500 2.301 2.277 2.317 . 0 0 "[ . 1 . 2]" 1
251 1 10 LEU HB3 1 11 CYS H 4.000 . 4.500 4.276 4.139 4.332 . 0 0 "[ . 1 . 2]" 1
252 1 10 LEU MD1 1 10 LEU MD2 2.500 . 2.800 2.070 2.047 2.086 . 0 0 "[ . 1 . 2]" 1
253 1 10 LEU MD1 1 11 CYS H 5.000 3.000 5.500 5.100 4.919 5.165 . 0 0 "[ . 1 . 2]" 1
254 1 10 LEU MD2 1 11 CYS H 5.000 3.000 5.500 4.592 4.560 4.646 . 0 0 "[ . 1 . 2]" 1
255 1 10 LEU MD2 1 12 PRO HD3 5.000 3.000 5.500 4.730 4.667 4.779 . 0 0 "[ . 1 . 2]" 1
256 1 10 LEU HG 1 11 CYS H 5.000 3.000 5.500 4.430 4.308 4.502 . 0 0 "[ . 1 . 2]" 1
257 1 11 CYS H 1 11 CYS HA 3.000 . 3.500 2.952 2.946 2.965 . 0 0 "[ . 1 . 2]" 1
258 1 11 CYS H 1 11 CYS HB2 3.000 . 3.500 2.605 2.533 2.650 . 0 0 "[ . 1 . 2]" 1
259 1 11 CYS H 1 11 CYS HB3 3.000 . 7.000 3.754 3.716 3.781 . 0 0 "[ . 1 . 2]" 1
260 1 11 CYS H 1 12 PRO HA 5.000 3.000 5.500 4.453 4.431 4.563 . 0 0 "[ . 1 . 2]" 1
261 1 11 CYS H 1 12 PRO HB3 5.000 3.000 5.500 5.072 5.039 5.150 . 0 0 "[ . 1 . 2]" 1
262 1 11 CYS H 1 12 PRO HD2 4.000 . 4.500 3.830 3.800 3.868 . 0 0 "[ . 1 . 2]" 1
263 1 11 CYS H 1 12 PRO HD3 3.000 . 3.500 2.957 2.917 3.026 . 0 0 "[ . 1 . 2]" 1
264 1 11 CYS H 1 17 CYS HB2 5.000 3.000 5.500 5.016 4.943 5.093 . 0 0 "[ . 1 . 2]" 1
265 1 11 CYS HA 1 11 CYS HB3 3.000 . 3.500 2.514 2.490 2.532 . 0 0 "[ . 1 . 2]" 1
266 1 11 CYS HA 1 12 PRO HA 5.000 3.000 5.500 4.673 4.661 4.686 . 0 0 "[ . 1 . 2]" 1
267 1 11 CYS HA 1 12 PRO HD2 2.500 . 2.800 2.140 2.116 2.172 . 0 0 "[ . 1 . 2]" 1
268 1 11 CYS HA 1 12 PRO HD3 3.000 . 3.500 2.971 2.945 3.018 . 0 0 "[ . 1 . 2]" 1
269 1 11 CYS HA 1 12 PRO HG2 4.000 . 4.500 4.298 4.262 4.327 . 0 0 "[ . 1 . 2]" 1
270 1 11 CYS HA 1 12 PRO HG3 4.000 . 5.000 4.746 4.724 4.778 . 0 0 "[ . 1 . 2]" 1
271 1 11 CYS HA 1 13 TRP HE1 5.000 3.000 5.500 3.634 3.513 3.780 . 0 0 "[ . 1 . 2]" 1
272 1 11 CYS HA 1 13 TRP HZ2 5.000 3.000 5.500 3.172 3.084 3.273 . 0 0 "[ . 1 . 2]" 1
273 1 11 CYS HA 1 14 ILE HG12 4.000 . 4.500 3.809 3.747 3.901 . 0 0 "[ . 1 . 2]" 1
274 1 11 CYS HA 1 14 ILE HG13 4.000 . 4.500 4.546 4.458 4.596 0.096 14 0 "[ . 1 . 2]" 1
275 1 11 CYS HB2 1 14 ILE HB 4.000 . 4.500 3.559 3.467 3.646 . 0 0 "[ . 1 . 2]" 1
276 1 11 CYS HB2 1 14 ILE HG12 4.000 . 4.500 3.826 3.721 3.963 . 0 0 "[ . 1 . 2]" 1
277 1 11 CYS HB2 1 14 ILE HG13 3.000 . 3.500 3.464 3.416 3.501 0.001 15 0 "[ . 1 . 2]" 1
278 1 11 CYS HB2 1 17 CYS HB3 3.000 . 3.500 3.532 3.464 3.623 0.123 5 0 "[ . 1 . 2]" 1
279 1 11 CYS HB3 1 14 ILE HB 3.000 . 3.500 2.943 2.840 3.004 . 0 0 "[ . 1 . 2]" 1
280 1 11 CYS HB3 1 14 ILE HG12 4.000 . 4.500 2.200 2.124 2.296 . 0 0 "[ . 1 . 2]" 1
281 1 11 CYS HB3 1 14 ILE HG13 2.500 . 2.800 2.195 2.127 2.242 . 0 0 "[ . 1 . 2]" 1
282 1 11 CYS HB3 1 14 ILE MG 4.000 . 4.500 3.903 3.856 3.945 . 0 0 "[ . 1 . 2]" 1
283 1 11 CYS HB3 1 17 CYS HB3 4.000 . 4.500 4.556 4.508 4.584 0.084 7 0 "[ . 1 . 2]" 1
284 1 12 PRO HA 1 12 PRO HB3 2.500 . 2.800 2.302 2.291 2.310 . 0 0 "[ . 1 . 2]" 1
285 1 12 PRO HA 1 12 PRO HD2 4.000 . 4.500 4.087 4.075 4.095 . 0 0 "[ . 1 . 2]" 1
286 1 12 PRO HA 1 12 PRO HD3 3.000 . 3.500 3.597 3.582 3.608 0.108 4 0 "[ . 1 . 2]" 1
287 1 12 PRO HA 1 12 PRO HG2 4.000 . 4.500 3.866 3.851 3.888 . 0 0 "[ . 1 . 2]" 1
288 1 12 PRO HA 1 12 PRO HG3 4.000 . 4.500 4.005 3.983 4.023 . 0 0 "[ . 1 . 2]" 1
289 1 12 PRO HA 1 13 TRP H 4.000 . 4.500 3.445 3.407 3.462 . 0 0 "[ . 1 . 2]" 1
290 1 12 PRO HA 1 13 TRP HA 4.000 . 5.000 4.727 4.706 4.750 . 0 0 "[ . 1 . 2]" 1
291 1 12 PRO HA 1 14 ILE H 4.000 . 4.500 3.476 3.404 3.539 . 0 0 "[ . 1 . 2]" 1
292 1 12 PRO HA 1 17 CYS HB3 5.000 3.000 5.500 4.649 4.350 4.786 . 0 0 "[ . 1 . 2]" 1
293 1 12 PRO HB2 1 12 PRO HD2 4.000 . 4.500 4.044 4.026 4.060 . 0 0 "[ . 1 . 2]" 1
294 1 12 PRO HB2 1 12 PRO HD3 4.000 . 4.500 3.945 3.923 3.960 . 0 0 "[ . 1 . 2]" 1
295 1 12 PRO HB2 1 12 PRO HG2 2.500 . 2.800 2.306 2.297 2.320 . 0 0 "[ . 1 . 2]" 1
296 1 12 PRO HB2 1 12 PRO HG3 2.500 . 2.800 2.666 2.656 2.679 . 0 0 "[ . 1 . 2]" 1
297 1 12 PRO HB2 1 13 TRP H 4.000 . 4.500 3.588 3.525 3.694 . 0 0 "[ . 1 . 2]" 1
298 1 12 PRO HB2 1 13 TRP HA 4.000 . 4.500 4.229 4.187 4.290 . 0 0 "[ . 1 . 2]" 1
299 1 12 PRO HB2 1 13 TRP HE3 5.000 3.000 5.500 4.402 4.242 4.533 . 0 0 "[ . 1 . 2]" 1
300 1 12 PRO HB2 1 14 ILE H 5.000 3.000 5.500 4.929 4.881 4.976 . 0 0 "[ . 1 . 2]" 1
301 1 12 PRO HB3 1 12 PRO HD2 5.000 3.000 5.500 3.887 3.861 3.910 . 0 0 "[ . 1 . 2]" 1
302 1 12 PRO HB3 1 12 PRO HD3 4.000 . 4.500 3.013 2.957 3.062 . 0 0 "[ . 1 . 2]" 1
303 1 12 PRO HB3 1 12 PRO HG2 3.000 . 3.500 2.981 2.975 2.988 . 0 0 "[ . 1 . 2]" 1
304 1 12 PRO HB3 1 13 TRP H 4.000 . 4.500 4.284 4.253 4.323 . 0 0 "[ . 1 . 2]" 1
305 1 12 PRO HD2 1 13 TRP H 3.000 . 3.500 2.672 2.629 2.727 . 0 0 "[ . 1 . 2]" 1
306 1 12 PRO HD2 1 13 TRP HD1 5.000 3.000 5.500 5.612 5.560 5.650 0.150 18 0 "[ . 1 . 2]" 1
307 1 12 PRO HD2 1 13 TRP HE3 4.000 . 4.500 3.112 3.021 3.216 . 0 0 "[ . 1 . 2]" 1
308 1 12 PRO HD2 1 13 TRP HH2 5.000 3.000 5.500 3.594 3.492 3.684 . 0 0 "[ . 1 . 2]" 1
309 1 12 PRO HD2 1 13 TRP HZ3 3.000 . 3.500 3.047 3.015 3.092 . 0 0 "[ . 1 . 2]" 1
310 1 12 PRO HD3 1 12 PRO HG3 3.000 . 3.500 2.317 2.308 2.325 . 0 0 "[ . 1 . 2]" 1
311 1 12 PRO HD3 1 13 TRP H 5.000 3.000 5.500 3.848 3.822 3.888 . 0 0 "[ . 1 . 2]" 1
312 1 12 PRO HG2 1 13 TRP H 3.000 . 3.500 2.765 2.667 2.856 . 0 0 "[ . 1 . 2]" 1
313 1 12 PRO HG2 1 13 TRP HE3 3.000 . 3.500 2.422 2.289 2.523 . 0 0 "[ . 1 . 2]" 1
314 1 12 PRO HG2 1 13 TRP HZ3 4.000 . 4.500 3.315 3.103 3.451 . 0 0 "[ . 1 . 2]" 1
315 1 12 PRO HG3 1 13 TRP H 4.000 . 4.500 4.153 4.085 4.231 . 0 0 "[ . 1 . 2]" 1
316 1 12 PRO HG3 1 13 TRP HE3 4.000 . 4.500 3.964 3.850 4.049 . 0 0 "[ . 1 . 2]" 1
317 1 13 TRP H 1 13 TRP HA 3.000 . 3.500 2.889 2.878 2.902 . 0 0 "[ . 1 . 2]" 1
318 1 13 TRP H 1 13 TRP HB2 3.000 . 3.500 3.585 3.575 3.594 0.094 18 0 "[ . 1 . 2]" 1
319 1 13 TRP H 1 13 TRP HB3 3.000 . 3.500 2.923 2.871 2.985 . 0 0 "[ . 1 . 2]" 1
320 1 13 TRP H 1 13 TRP HE1 5.000 3.000 5.500 4.484 4.392 4.584 . 0 0 "[ . 1 . 2]" 1
321 1 13 TRP H 1 13 TRP HE3 3.000 . 3.500 2.960 2.893 3.053 . 0 0 "[ . 1 . 2]" 1
322 1 13 TRP H 1 14 ILE H 2.500 . 2.800 2.614 2.518 2.648 . 0 0 "[ . 1 . 2]" 1
323 1 13 TRP H 1 14 ILE HA 5.000 3.000 5.500 5.096 5.000 5.139 . 0 0 "[ . 1 . 2]" 1
324 1 13 TRP H 1 14 ILE MD 4.000 . 5.000 4.640 4.559 4.769 . 0 0 "[ . 1 . 2]" 1
325 1 13 TRP H 1 14 ILE HG12 4.000 . 4.500 3.541 3.422 3.614 . 0 0 "[ . 1 . 2]" 1
326 1 13 TRP HA 1 13 TRP HB2 2.500 . 2.800 2.567 2.550 2.582 . 0 0 "[ . 1 . 2]" 1
327 1 13 TRP HA 1 13 TRP HB3 2.500 . 2.800 2.354 2.343 2.364 . 0 0 "[ . 1 . 2]" 1
328 1 13 TRP HA 1 13 TRP HD1 4.000 . 4.500 4.366 4.327 4.409 . 0 0 "[ . 1 . 2]" 1
329 1 13 TRP HA 1 13 TRP HE3 4.000 . 4.500 4.228 4.169 4.273 . 0 0 "[ . 1 . 2]" 1
330 1 13 TRP HA 1 14 ILE H 3.000 . 3.500 3.256 3.217 3.298 . 0 0 "[ . 1 . 2]" 1
331 1 13 TRP HA 1 14 ILE HA 5.000 3.000 5.500 4.562 4.543 4.584 . 0 0 "[ . 1 . 2]" 1
332 1 13 TRP HA 1 14 ILE MG 5.000 3.000 6.000 5.972 5.945 5.995 . 0 0 "[ . 1 . 2]" 1
333 1 13 TRP HB2 1 13 TRP HD1 3.000 . 3.500 2.706 2.693 2.722 . 0 0 "[ . 1 . 2]" 1
334 1 13 TRP HB2 1 13 TRP HE1 5.000 3.000 5.500 4.799 4.793 4.807 . 0 0 "[ . 1 . 2]" 1
335 1 13 TRP HB2 1 13 TRP HE3 4.000 . 4.500 4.082 4.071 4.091 . 0 0 "[ . 1 . 2]" 1
336 1 13 TRP HB2 1 14 ILE HA 5.000 3.000 5.500 4.585 4.563 4.625 . 0 0 "[ . 1 . 2]" 1
337 1 13 TRP HB3 1 13 TRP HE3 3.000 . 3.500 2.543 2.535 2.551 . 0 0 "[ . 1 . 2]" 1
338 1 13 TRP HB3 1 14 ILE H 4.000 . 4.500 4.543 4.517 4.570 0.070 3 0 "[ . 1 . 2]" 1
339 1 13 TRP HD1 1 14 ILE HA 5.000 3.000 5.500 3.732 3.643 3.874 . 0 0 "[ . 1 . 2]" 1
340 1 13 TRP HD1 1 14 ILE MD 3.000 . 3.500 2.026 1.952 2.163 . 0 0 "[ . 1 . 2]" 1
341 1 13 TRP HD1 1 14 ILE HG12 4.000 . 4.500 2.345 2.279 2.421 . 0 0 "[ . 1 . 2]" 1
342 1 13 TRP HE1 1 14 ILE MD 4.000 . 4.500 2.920 2.738 3.167 . 0 0 "[ . 1 . 2]" 1
343 1 13 TRP HE1 1 14 ILE HG12 4.000 . 4.500 3.041 2.966 3.152 . 0 0 "[ . 1 . 2]" 1
344 1 13 TRP HH2 1 13 TRP HZ3 2.500 . 2.800 2.480 2.478 2.481 . 0 0 "[ . 1 . 2]" 1
345 1 14 ILE H 1 14 ILE HA 3.000 . 3.500 2.954 2.948 2.960 . 0 0 "[ . 1 . 2]" 1
346 1 14 ILE H 1 14 ILE HB 2.500 . 2.800 2.563 2.522 2.585 . 0 0 "[ . 1 . 2]" 1
347 1 14 ILE H 1 14 ILE HG12 3.000 . 3.500 2.515 2.464 2.583 . 0 0 "[ . 1 . 2]" 1
348 1 14 ILE H 1 14 ILE HG13 4.000 . 4.500 3.872 3.837 3.951 . 0 0 "[ . 1 . 2]" 1
349 1 14 ILE H 1 14 ILE MG 3.000 . 4.000 3.818 3.798 3.834 . 0 0 "[ . 1 . 2]" 1
350 1 14 ILE H 1 15 ARG H 4.000 . 4.500 4.310 4.231 4.362 . 0 0 "[ . 1 . 2]" 1
351 1 14 ILE H 1 15 ARG HA 4.000 . 5.000 5.004 4.956 5.058 0.058 16 0 "[ . 1 . 2]" 1
352 1 14 ILE H 1 16 SER H 5.000 3.000 5.500 5.453 5.405 5.508 0.008 16 0 "[ . 1 . 2]" 1
353 1 14 ILE H 1 17 CYS H 4.000 . 5.000 4.651 4.522 4.752 . 0 0 "[ . 1 . 2]" 1
354 1 14 ILE H 1 17 CYS HB2 4.000 . 4.500 3.817 3.589 3.914 . 0 0 "[ . 1 . 2]" 1
355 1 14 ILE HA 1 14 ILE HB 3.000 . 3.500 3.018 3.009 3.026 . 0 0 "[ . 1 . 2]" 1
356 1 14 ILE HA 1 14 ILE MD 2.500 . 2.800 1.986 1.924 2.008 . 0 0 "[ . 1 . 2]" 1
357 1 14 ILE HA 1 14 ILE HG12 3.000 . 3.500 3.071 3.007 3.111 . 0 0 "[ . 1 . 2]" 1
358 1 14 ILE HA 1 14 ILE MG 2.500 . 2.800 2.284 2.256 2.311 . 0 0 "[ . 1 . 2]" 1
359 1 14 ILE HA 1 15 ARG H 2.500 . 2.800 2.142 2.130 2.155 . 0 0 "[ . 1 . 2]" 1
360 1 14 ILE HA 1 15 ARG HA 4.000 . 4.500 4.402 4.383 4.430 . 0 0 "[ . 1 . 2]" 1
361 1 14 ILE HA 1 15 ARG QB 4.000 . 4.500 4.340 4.316 4.380 . 0 0 "[ . 1 . 2]" 1
362 1 14 ILE HA 1 15 ARG HG2 5.000 3.000 5.500 3.895 3.803 3.959 . 0 0 "[ . 1 . 2]" 1
363 1 14 ILE HA 1 16 SER H 4.000 . 4.500 3.697 3.616 3.761 . 0 0 "[ . 1 . 2]" 1
364 1 14 ILE HB 1 14 ILE HG12 3.000 . 3.500 2.477 2.452 2.509 . 0 0 "[ . 1 . 2]" 1
365 1 14 ILE HB 1 14 ILE HG13 2.500 . 2.800 2.428 2.397 2.449 . 0 0 "[ . 1 . 2]" 1
366 1 14 ILE HB 1 15 ARG H 5.000 3.000 5.500 4.262 4.213 4.310 . 0 0 "[ . 1 . 2]" 1
367 1 14 ILE HB 1 16 SER H 5.000 3.000 5.500 4.095 4.049 4.155 . 0 0 "[ . 1 . 2]" 1
368 1 14 ILE HB 1 16 SER QB 4.000 . 4.500 4.187 4.141 4.220 . 0 0 "[ . 1 . 2]" 1
369 1 14 ILE HB 1 17 CYS H 4.000 . 4.500 2.754 2.710 2.827 . 0 0 "[ . 1 . 2]" 1
370 1 14 ILE HB 1 17 CYS HA 5.000 3.000 5.500 4.750 4.685 4.794 . 0 0 "[ . 1 . 2]" 1
371 1 14 ILE HB 1 17 CYS HB2 3.000 . 3.500 1.972 1.925 1.997 . 0 0 "[ . 1 . 2]" 1
372 1 14 ILE HB 1 17 CYS HB3 3.000 . 4.000 3.597 3.531 3.648 . 0 0 "[ . 1 . 2]" 1
373 1 14 ILE MD 1 15 ARG H 4.000 . 4.500 3.720 3.661 3.779 . 0 0 "[ . 1 . 2]" 1
374 1 14 ILE MD 1 16 SER H 5.000 3.000 5.500 4.440 4.401 4.492 . 0 0 "[ . 1 . 2]" 1
375 1 14 ILE HG12 1 15 ARG H 5.000 3.000 5.500 5.112 5.064 5.143 . 0 0 "[ . 1 . 2]" 1
376 1 14 ILE HG13 1 14 ILE MG 2.500 . 2.800 2.351 2.325 2.386 . 0 0 "[ . 1 . 2]" 1
377 1 14 ILE HG13 1 17 CYS HB2 4.000 . 4.500 3.918 3.862 3.971 . 0 0 "[ . 1 . 2]" 1
378 1 14 ILE MG 1 15 ARG H 3.000 . 3.500 2.905 2.813 3.032 . 0 0 "[ . 1 . 2]" 1
379 1 14 ILE MG 1 15 ARG HA 4.000 . 4.500 4.337 4.265 4.420 . 0 0 "[ . 1 . 2]" 1
380 1 14 ILE MG 1 16 SER H 2.500 . 2.800 2.026 1.940 2.122 . 0 0 "[ . 1 . 2]" 1
381 1 14 ILE MG 1 16 SER HA 5.000 3.000 5.500 3.920 3.888 3.957 . 0 0 "[ . 1 . 2]" 1
382 1 14 ILE MG 1 17 CYS H 3.000 . 3.500 1.889 1.870 1.917 . 0 0 "[ . 1 . 2]" 1
383 1 14 ILE MG 1 17 CYS HA 5.000 3.000 5.500 4.240 4.192 4.274 . 0 0 "[ . 1 . 2]" 1
384 1 14 ILE MG 1 17 CYS HB2 4.000 . 4.500 2.888 2.802 2.994 . 0 0 "[ . 1 . 2]" 1
385 1 15 ARG H 1 15 ARG QB 2.500 . 2.800 2.410 2.374 2.433 . 0 0 "[ . 1 . 2]" 1
386 1 15 ARG H 1 15 ARG QD 4.000 . 4.500 3.793 3.624 4.064 . 0 0 "[ . 1 . 2]" 1
387 1 15 ARG H 1 15 ARG HE 5.000 3.000 5.500 4.377 2.970 5.113 0.030 16 0 "[ . 1 . 2]" 1
388 1 15 ARG H 1 15 ARG HG2 3.000 . 3.500 2.131 2.087 2.197 . 0 0 "[ . 1 . 2]" 1
389 1 15 ARG H 1 15 ARG HG3 3.000 . 3.500 3.413 3.336 3.473 . 0 0 "[ . 1 . 2]" 1
390 1 15 ARG H 1 16 SER H 3.000 . 3.500 2.640 2.587 2.706 . 0 0 "[ . 1 . 2]" 1
391 1 15 ARG H 1 16 SER QB 5.000 3.000 5.500 4.608 4.361 4.724 . 0 0 "[ . 1 . 2]" 1
392 1 15 ARG H 1 17 CYS H 4.000 . 4.500 4.274 4.227 4.339 . 0 0 "[ . 1 . 2]" 1
393 1 15 ARG HA 1 15 ARG QB 2.500 . 2.800 2.190 2.185 2.192 . 0 0 "[ . 1 . 2]" 1
394 1 15 ARG HA 1 15 ARG QD 4.000 . 5.000 4.493 4.471 4.509 . 0 0 "[ . 1 . 2]" 1
395 1 15 ARG HA 1 15 ARG HE 4.000 . 4.500 4.532 4.487 4.563 0.063 13 0 "[ . 1 . 2]" 1
396 1 15 ARG HA 1 15 ARG HG2 3.000 . 4.000 3.708 3.667 3.730 . 0 0 "[ . 1 . 2]" 1
397 1 15 ARG HA 1 15 ARG HG3 4.000 . 4.500 3.704 3.687 3.737 . 0 0 "[ . 1 . 2]" 1
398 1 15 ARG HA 1 16 SER H 3.000 . 3.500 3.504 3.492 3.510 0.010 1 0 "[ . 1 . 2]" 1
399 1 15 ARG HA 1 16 SER HA 5.000 3.000 5.500 4.800 4.784 4.812 . 0 0 "[ . 1 . 2]" 1
400 1 15 ARG HA 1 17 CYS H 4.000 . 4.500 4.292 4.182 4.418 . 0 0 "[ . 1 . 2]" 1
401 1 15 ARG QB 1 15 ARG QD 3.000 . 3.500 2.310 2.279 2.336 . 0 0 "[ . 1 . 2]" 1
402 1 15 ARG QB 1 15 ARG HE 3.000 . 3.500 2.165 2.102 2.219 . 0 0 "[ . 1 . 2]" 1
403 1 15 ARG QB 1 16 SER H 3.000 . 3.500 3.494 3.480 3.506 0.006 20 0 "[ . 1 . 2]" 1
404 1 15 ARG QB 1 16 SER HA 4.000 . 4.500 4.426 4.412 4.444 . 0 0 "[ . 1 . 2]" 1
405 1 15 ARG QD 1 15 ARG HE 2.500 . 2.800 2.501 2.496 2.505 . 0 0 "[ . 1 . 2]" 1
406 1 15 ARG QD 1 15 ARG HG3 2.500 . 2.800 2.311 2.187 2.387 . 0 0 "[ . 1 . 2]" 1
407 1 15 ARG QD 1 16 SER H 4.000 . 4.500 4.071 4.053 4.092 . 0 0 "[ . 1 . 2]" 1
408 1 15 ARG QD 1 16 SER HA 4.000 . 5.000 4.975 4.774 5.087 0.087 20 0 "[ . 1 . 2]" 1
409 1 15 ARG HE 1 15 ARG HG2 3.000 . 3.500 3.179 2.410 3.589 0.089 4 0 "[ . 1 . 2]" 1
410 1 15 ARG HE 1 15 ARG HG3 3.000 . 3.500 2.842 2.422 3.589 0.089 1 0 "[ . 1 . 2]" 1
411 1 15 ARG HE 1 15 ARG QH1 3.000 . 3.500 3.280 3.267 3.286 . 0 0 "[ . 1 . 2]" 1
412 1 15 ARG HE 1 15 ARG QH2 3.000 . 3.500 2.240 2.226 2.252 . 0 0 "[ . 1 . 2]" 1
413 1 15 ARG HG2 1 16 SER H 4.000 . 4.500 2.367 2.269 2.438 . 0 0 "[ . 1 . 2]" 1
414 1 15 ARG HG2 1 16 SER HA 5.000 3.000 5.500 4.400 4.332 4.465 . 0 0 "[ . 1 . 2]" 1
415 1 15 ARG HG3 1 16 SER H 4.000 . 4.500 2.439 2.401 2.509 . 0 0 "[ . 1 . 2]" 1
416 1 15 ARG HG3 1 16 SER HA 4.000 . 4.500 3.151 3.124 3.203 . 0 0 "[ . 1 . 2]" 1
417 1 15 ARG HG3 1 16 SER QB 4.000 . 4.500 3.863 3.244 4.057 . 0 0 "[ . 1 . 2]" 1
418 1 16 SER H 1 16 SER HA 3.000 . 3.500 2.826 2.821 2.833 . 0 0 "[ . 1 . 2]" 1
419 1 16 SER H 1 16 SER QB 2.500 . 2.800 2.372 2.255 2.420 . 0 0 "[ . 1 . 2]" 1
420 1 16 SER H 1 17 CYS H 2.500 . 2.800 2.636 2.604 2.677 . 0 0 "[ . 1 . 2]" 1
421 1 16 SER H 1 17 CYS HA 5.000 3.000 5.500 5.285 5.255 5.317 . 0 0 "[ . 1 . 2]" 1
422 1 16 SER H 1 17 CYS HB2 5.000 3.000 5.500 4.571 4.523 4.602 . 0 0 "[ . 1 . 2]" 1
423 1 16 SER HA 1 16 SER QB 2.500 . 2.800 2.377 2.349 2.388 . 0 0 "[ . 1 . 2]" 1
424 1 16 SER HA 1 17 CYS H 3.000 . 3.500 3.530 3.520 3.543 0.043 15 0 "[ . 1 . 2]" 1
425 1 16 SER HA 1 17 CYS HA 5.000 3.000 5.500 4.708 4.684 4.739 . 0 0 "[ . 1 . 2]" 1
426 1 16 SER QB 1 17 CYS H 4.000 . 4.500 2.604 2.513 2.674 . 0 0 "[ . 1 . 2]" 1
427 1 16 SER QB 1 17 CYS HA 4.000 . 4.500 4.008 3.942 4.218 . 0 0 "[ . 1 . 2]" 1
428 1 17 CYS H 1 17 CYS HA 3.000 . 3.500 2.895 2.877 2.907 . 0 0 "[ . 1 . 2]" 1
429 1 17 CYS H 1 17 CYS HB2 2.500 . 2.800 2.169 2.140 2.195 . 0 0 "[ . 1 . 2]" 1
430 1 17 CYS H 1 17 CYS HB3 3.000 . 3.500 3.474 3.451 3.501 0.001 5 0 "[ . 1 . 2]" 1
431 1 17 CYS HA 1 17 CYS HB2 3.000 . 3.500 2.971 2.958 2.984 . 0 0 "[ . 1 . 2]" 1
432 1 17 CYS HA 1 17 CYS HB3 3.000 . 3.500 2.665 2.643 2.678 . 0 0 "[ . 1 . 2]" 1
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