Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
617094 | 5x35 RC | 36051 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5x35
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 745
_Distance_constraint_stats_list.Viol_count 322
_Distance_constraint_stats_list.Viol_total 107.221
_Distance_constraint_stats_list.Viol_max 0.084
_Distance_constraint_stats_list.Viol_rms 0.0032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0004
_Distance_constraint_stats_list.Viol_average_violations_only 0.0166
_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 THR 0.309 0.055 11 0 "[ . 1 . 2]"
1 2 GLN 0.025 0.007 19 0 "[ . 1 . 2]"
1 3 SER 0.285 0.033 6 0 "[ . 1 . 2]"
1 4 HIS 0.182 0.035 18 0 "[ . 1 . 2]"
1 5 TYR 0.322 0.050 20 0 "[ . 1 . 2]"
1 6 GLY 0.004 0.004 18 0 "[ . 1 . 2]"
1 7 GLN 0.459 0.046 3 0 "[ . 1 . 2]"
1 8 CYS 0.371 0.043 3 0 "[ . 1 . 2]"
1 9 GLY 1.234 0.084 16 0 "[ . 1 . 2]"
1 10 GLY 0.792 0.084 16 0 "[ . 1 . 2]"
1 11 ILE 0.101 0.044 20 0 "[ . 1 . 2]"
1 12 GLY 0.005 0.005 6 0 "[ . 1 . 2]"
1 13 TYR 0.355 0.043 16 0 "[ . 1 . 2]"
1 14 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLY 0.050 0.010 3 0 "[ . 1 . 2]"
1 16 PRO 0.187 0.018 5 0 "[ . 1 . 2]"
1 17 THR 0.394 0.036 19 0 "[ . 1 . 2]"
1 18 VAL 0.026 0.023 17 0 "[ . 1 . 2]"
1 19 CYS 0.081 0.043 4 0 "[ . 1 . 2]"
1 20 ALA 0.247 0.035 18 0 "[ . 1 . 2]"
1 21 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 THR 0.164 0.046 16 0 "[ . 1 . 2]"
1 24 THR 0.081 0.043 4 0 "[ . 1 . 2]"
1 25 CYS 0.244 0.019 19 0 "[ . 1 . 2]"
1 26 GLN 0.026 0.012 18 0 "[ . 1 . 2]"
1 27 VAL 0.011 0.006 7 0 "[ . 1 . 2]"
1 28 LEU 0.778 0.054 17 0 "[ . 1 . 2]"
1 29 ASN 0.609 0.056 17 0 "[ . 1 . 2]"
1 30 PRO 0.106 0.014 8 0 "[ . 1 . 2]"
1 31 TYR 0.076 0.044 20 0 "[ . 1 . 2]"
1 32 TYR 1.400 0.058 20 0 "[ . 1 . 2]"
1 33 SER 0.765 0.084 16 0 "[ . 1 . 2]"
1 34 GLN 0.759 0.058 20 0 "[ . 1 . 2]"
1 35 CYS 0.207 0.046 16 0 "[ . 1 . 2]"
1 36 LEU 0.603 0.040 12 0 "[ . 1 . 2]"
2 1 MAN 0.283 0.055 11 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 THR HA 1 1 THR MG 2.300 . 2.800 1.975 1.933 2.009 . 0 0 "[ . 1 . 2]" 1
2 1 1 THR HA 1 1 THR MG 2.650 . 2.800 2.279 2.174 2.364 . 0 0 "[ . 1 . 2]" 1
3 1 1 THR HA 1 2 GLN H 2.650 . 3.500 2.345 2.192 2.553 . 0 0 "[ . 1 . 2]" 1
4 1 1 THR HA 1 2 GLN HB3 3.650 . 4.500 3.832 3.642 3.953 . 0 0 "[ . 1 . 2]" 1
5 1 1 THR HA 1 2 GLN HG2 3.650 . 5.500 4.377 4.313 4.431 . 0 0 "[ . 1 . 2]" 1
6 1 1 THR HA 1 16 PRO HB2 3.650 . 4.500 3.386 2.561 4.416 . 0 0 "[ . 1 . 2]" 1
7 1 1 THR HA 1 18 VAL HB 2.650 . 3.500 2.763 2.613 2.922 . 0 0 "[ . 1 . 2]" 1
8 1 1 THR HB 1 1 THR MG 2.300 . 2.800 2.137 2.090 2.170 . 0 0 "[ . 1 . 2]" 1
9 1 1 THR HB 1 18 VAL MG1 3.150 . 4.500 3.853 3.432 4.286 . 0 0 "[ . 1 . 2]" 1
10 1 1 THR HB 1 20 ALA H 3.650 . 5.500 3.604 3.230 4.486 . 0 0 "[ . 1 . 2]" 1
11 1 1 THR HB 2 1 MAN H1 2.300 . 2.800 2.355 2.211 2.811 0.011 20 0 "[ . 1 . 2]" 1
12 1 1 THR MG 2 1 MAN H3 2.650 . 3.500 2.687 1.949 3.419 . 0 0 "[ . 1 . 2]" 1
13 1 1 THR MG 1 2 GLN H 3.650 . 5.500 3.620 3.438 3.876 . 0 0 "[ . 1 . 2]" 1
14 1 1 THR MG 2 1 MAN H61 2.650 . 3.500 2.654 2.132 2.942 . 0 0 "[ . 1 . 2]" 1
15 1 1 THR MG 1 18 VAL H 3.650 . 5.500 4.652 3.726 5.430 . 0 0 "[ . 1 . 2]" 1
16 1 1 THR MG 1 18 VAL HB 3.150 . 3.500 2.816 2.047 3.523 0.023 17 0 "[ . 1 . 2]" 1
17 1 1 THR MG 1 18 VAL HB 2.650 . 3.500 2.213 1.903 2.399 . 0 0 "[ . 1 . 2]" 1
18 1 1 THR MG 1 18 VAL MG1 2.300 . 2.800 2.005 1.919 2.067 . 0 0 "[ . 1 . 2]" 1
19 1 1 THR MG 2 1 MAN H1 2.650 . 3.500 2.170 1.990 2.453 . 0 0 "[ . 1 . 2]" 1
20 1 1 THR MG 2 1 MAN H4 3.150 . 4.500 3.192 2.140 4.192 . 0 0 "[ . 1 . 2]" 1
21 1 1 THR MG 2 1 MAN H61 3.150 . 4.500 2.771 1.951 3.604 . 0 0 "[ . 1 . 2]" 1
22 1 1 THR MG 2 1 MAN H62 3.650 . 4.500 3.165 2.357 4.147 . 0 0 "[ . 1 . 2]" 1
23 1 1 THR MG 2 1 MAN H5 2.650 . 3.500 3.014 2.134 3.555 0.055 11 0 "[ . 1 . 2]" 1
24 1 1 THR MG 2 1 MAN H61 3.150 . 4.500 3.124 2.177 3.926 . 0 0 "[ . 1 . 2]" 1
25 1 2 GLN H 1 2 GLN HB2 3.150 . 4.500 2.550 2.367 2.740 . 0 0 "[ . 1 . 2]" 1
26 1 2 GLN H 1 2 GLN HB3 3.150 . 4.500 2.543 2.443 2.634 . 0 0 "[ . 1 . 2]" 1
27 1 2 GLN H 1 19 CYS HA 3.650 . 5.500 2.520 2.286 2.664 . 0 0 "[ . 1 . 2]" 1
28 1 2 GLN HA 1 2 GLN HB2 2.650 . 3.500 2.451 2.321 2.550 . 0 0 "[ . 1 . 2]" 1
29 1 2 GLN HA 1 2 GLN HG2 3.650 . 5.500 3.742 3.689 3.823 . 0 0 "[ . 1 . 2]" 1
30 1 2 GLN HA 1 2 GLN HG3 3.650 . 5.500 3.000 2.792 3.187 . 0 0 "[ . 1 . 2]" 1
31 1 2 GLN HA 1 16 PRO HG2 3.150 . 4.500 3.013 2.772 3.283 . 0 0 "[ . 1 . 2]" 1
32 1 2 GLN HB2 1 15 GLY HA3 3.650 . 5.500 4.932 4.816 5.030 . 0 0 "[ . 1 . 2]" 1
33 1 2 GLN HB2 1 2 GLN HE21 3.150 . 4.500 2.325 1.795 2.983 0.005 15 0 "[ . 1 . 2]" 1
34 1 2 GLN HB2 1 2 GLN HE22 3.650 . 5.500 3.439 2.960 3.776 . 0 0 "[ . 1 . 2]" 1
35 1 2 GLN HB2 1 2 GLN HG2 2.650 . 2.800 2.462 2.408 2.535 . 0 0 "[ . 1 . 2]" 1
36 1 2 GLN HB2 1 2 GLN HG3 2.650 . 3.500 3.008 3.000 3.014 . 0 0 "[ . 1 . 2]" 1
37 1 2 GLN HB2 1 3 SER H 3.150 . 4.500 4.036 3.831 4.307 . 0 0 "[ . 1 . 2]" 1
38 1 2 GLN HB2 1 8 CYS HA 3.650 . 5.500 2.889 2.514 3.554 . 0 0 "[ . 1 . 2]" 1
39 1 2 GLN HB2 1 8 CYS HB2 3.150 . 4.500 3.764 3.642 3.890 . 0 0 "[ . 1 . 2]" 1
40 1 2 GLN HB2 1 18 VAL H 3.650 . 5.500 3.718 3.163 4.120 . 0 0 "[ . 1 . 2]" 1
41 1 2 GLN HB2 1 19 CYS HA 3.150 . 4.500 3.820 3.515 4.270 . 0 0 "[ . 1 . 2]" 1
42 1 2 GLN HB3 1 2 GLN HE21 3.650 . 5.500 3.692 3.374 4.039 . 0 0 "[ . 1 . 2]" 1
43 1 2 GLN HB3 1 2 GLN HG2 2.650 . 3.500 2.409 2.349 2.458 . 0 0 "[ . 1 . 2]" 1
44 1 2 GLN HB3 1 2 GLN HG3 2.650 . 3.500 2.454 2.415 2.511 . 0 0 "[ . 1 . 2]" 1
45 1 2 GLN HB3 1 3 SER H 3.650 . 5.500 3.907 3.820 4.078 . 0 0 "[ . 1 . 2]" 1
46 1 2 GLN HB3 1 6 GLY HA3 3.650 . 5.500 3.986 3.654 4.165 . 0 0 "[ . 1 . 2]" 1
47 1 2 GLN HB3 1 8 CYS HA 3.150 . 4.500 2.826 2.562 3.052 . 0 0 "[ . 1 . 2]" 1
48 1 2 GLN HB3 1 19 CYS HA . . 3.500 2.447 2.089 2.865 . 0 0 "[ . 1 . 2]" 1
49 1 2 GLN HB3 1 20 ALA H 3.650 . 5.500 4.189 3.779 4.864 . 0 0 "[ . 1 . 2]" 1
50 1 2 GLN HE21 1 2 GLN HG2 2.650 . 3.500 2.547 2.191 2.900 . 0 0 "[ . 1 . 2]" 1
51 1 2 GLN HE21 1 2 GLN HG3 3.150 . 4.500 3.479 3.418 3.528 . 0 0 "[ . 1 . 2]" 1
52 1 2 GLN HE21 1 6 GLY HA3 3.650 . 5.500 3.614 2.759 4.204 . 0 0 "[ . 1 . 2]" 1
53 1 2 GLN HE21 1 16 PRO HG3 3.650 . 5.500 4.028 3.674 4.513 . 0 0 "[ . 1 . 2]" 1
54 1 2 GLN HE21 1 17 THR HA 3.650 . 5.500 4.719 3.814 5.502 0.002 18 0 "[ . 1 . 2]" 1
55 1 2 GLN HE22 1 2 GLN HG3 3.650 . 5.500 4.058 4.024 4.086 . 0 0 "[ . 1 . 2]" 1
56 1 2 GLN HE22 1 7 GLN H 3.650 . 5.500 4.468 3.440 5.159 . 0 0 "[ . 1 . 2]" 1
57 1 2 GLN HE22 1 15 GLY HA3 3.650 . 5.500 4.498 3.781 5.058 . 0 0 "[ . 1 . 2]" 1
58 1 2 GLN HE22 1 16 PRO HD2 3.650 . 5.500 3.615 2.679 4.318 . 0 0 "[ . 1 . 2]" 1
59 1 2 GLN HE22 1 16 PRO HG2 3.650 . 5.500 2.470 1.934 3.119 . 0 0 "[ . 1 . 2]" 1
60 1 2 GLN HE22 1 16 PRO HG3 3.650 . 5.500 3.665 3.371 4.459 . 0 0 "[ . 1 . 2]" 1
61 1 2 GLN HG2 1 3 SER H 3.150 . 4.500 4.129 3.938 4.507 0.007 19 0 "[ . 1 . 2]" 1
62 1 2 GLN HG2 1 6 GLY H 3.650 . 5.500 4.578 4.203 5.003 . 0 0 "[ . 1 . 2]" 1
63 1 2 GLN HG2 1 6 GLY HA3 3.150 . 4.500 3.437 3.097 3.785 . 0 0 "[ . 1 . 2]" 1
64 1 2 GLN HG2 1 6 GLY HA3 3.150 . 4.500 3.300 3.023 3.542 . 0 0 "[ . 1 . 2]" 1
65 1 2 GLN HG2 1 8 CYS H 3.150 . 4.500 3.145 2.969 3.365 . 0 0 "[ . 1 . 2]" 1
66 1 2 GLN HG2 1 8 CYS HA 3.150 . 4.500 2.177 2.016 2.383 . 0 0 "[ . 1 . 2]" 1
67 1 2 GLN HG2 1 8 CYS HB3 3.650 . 4.500 3.226 2.713 3.495 . 0 0 "[ . 1 . 2]" 1
68 1 2 GLN HG2 1 35 CYS HB2 3.650 . 5.500 3.989 3.782 4.208 . 0 0 "[ . 1 . 2]" 1
69 1 2 GLN HG2 1 35 CYS HB2 3.150 . 4.500 4.124 3.878 4.429 . 0 0 "[ . 1 . 2]" 1
70 1 2 GLN HG3 1 3 SER H 2.650 . 3.500 2.597 2.383 2.979 . 0 0 "[ . 1 . 2]" 1
71 1 2 GLN HG3 1 6 GLY H 3.650 . 5.500 3.535 3.382 3.789 . 0 0 "[ . 1 . 2]" 1
72 1 2 GLN HG3 1 6 GLY HA2 3.650 . 4.500 4.051 3.899 4.268 . 0 0 "[ . 1 . 2]" 1
73 1 2 GLN HG3 1 6 GLY HA3 3.150 . 3.500 2.561 2.304 2.890 . 0 0 "[ . 1 . 2]" 1
74 1 2 GLN HG3 1 7 GLN H 3.650 . 5.500 4.279 3.964 4.617 . 0 0 "[ . 1 . 2]" 1
75 1 3 SER H 1 3 SER HB2 3.150 . 4.500 2.464 2.409 2.532 . 0 0 "[ . 1 . 2]" 1
76 1 3 SER H 1 3 SER HB3 3.150 . 4.500 3.562 3.510 3.615 . 0 0 "[ . 1 . 2]" 1
77 1 3 SER H 1 6 GLY HA3 3.150 . 4.500 3.622 3.415 3.848 . 0 0 "[ . 1 . 2]" 1
78 1 3 SER H 1 8 CYS HA 4.150 . 6.500 6.068 5.760 6.502 0.002 17 0 "[ . 1 . 2]" 1
79 1 3 SER H 1 19 CYS HA 3.650 . 5.500 5.218 5.071 5.404 . 0 0 "[ . 1 . 2]" 1
80 1 3 SER HA 1 3 SER HB2 2.650 . 3.500 3.017 3.007 3.027 . 0 0 "[ . 1 . 2]" 1
81 1 3 SER HA 1 3 SER HB3 2.650 . 2.800 2.425 2.377 2.472 . 0 0 "[ . 1 . 2]" 1
82 1 3 SER HA 1 4 HIS H 2.650 . 3.500 2.414 2.307 2.536 . 0 0 "[ . 1 . 2]" 1
83 1 3 SER HA 1 4 HIS HB2 3.150 . 4.500 4.481 4.383 4.524 0.024 19 0 "[ . 1 . 2]" 1
84 1 3 SER HA 1 20 ALA H 3.650 . 5.500 3.757 3.208 4.316 . 0 0 "[ . 1 . 2]" 1
85 1 3 SER HA 1 20 ALA MB 2.650 . 2.800 2.705 2.247 2.833 0.033 6 0 "[ . 1 . 2]" 1
86 1 3 SER HB2 1 4 HIS H 3.150 . 4.500 3.467 3.307 3.637 . 0 0 "[ . 1 . 2]" 1
87 1 3 SER HB3 1 4 HIS H 3.150 . 4.500 2.412 2.267 2.622 . 0 0 "[ . 1 . 2]" 1
88 1 3 SER HB3 1 4 HIS H 2.300 . 2.800 2.275 2.128 2.422 . 0 0 "[ . 1 . 2]" 1
89 1 3 SER HB3 1 20 ALA MB 3.150 . 4.500 3.968 3.660 4.229 . 0 0 "[ . 1 . 2]" 1
90 1 4 HIS H 1 4 HIS HA 2.650 . 3.500 2.503 2.364 2.631 . 0 0 "[ . 1 . 2]" 1
91 1 4 HIS H 1 4 HIS HB2 2.300 . 2.800 2.148 2.113 2.210 . 0 0 "[ . 1 . 2]" 1
92 1 4 HIS H 1 4 HIS HB3 2.650 . 3.500 2.564 2.419 2.711 . 0 0 "[ . 1 . 2]" 1
93 1 4 HIS H 1 5 TYR H 3.650 . 5.500 4.541 4.496 4.581 . 0 0 "[ . 1 . 2]" 1
94 1 4 HIS H 1 5 TYR H 3.650 . 5.500 4.001 3.965 4.022 . 0 0 "[ . 1 . 2]" 1
95 1 4 HIS H 1 20 ALA MB 3.150 . 4.500 3.589 3.343 4.072 . 0 0 "[ . 1 . 2]" 1
96 1 4 HIS H 1 23 THR MG 3.650 . 5.500 3.615 3.224 3.893 . 0 0 "[ . 1 . 2]" 1
97 1 4 HIS HA 1 4 HIS HB2 2.300 . 2.800 2.309 2.230 2.374 . 0 0 "[ . 1 . 2]" 1
98 1 4 HIS HA 1 4 HIS HB3 2.650 . 3.500 3.031 3.024 3.037 . 0 0 "[ . 1 . 2]" 1
99 1 4 HIS HA 1 4 HIS HB3 2.650 . 3.500 2.740 2.672 2.830 . 0 0 "[ . 1 . 2]" 1
100 1 4 HIS HA 1 4 HIS HD2 2.650 . 3.500 2.572 2.269 2.732 . 0 0 "[ . 1 . 2]" 1
101 1 4 HIS HA 1 5 TYR H 2.300 . 2.800 2.169 2.113 2.235 . 0 0 "[ . 1 . 2]" 1
102 1 4 HIS HA 1 23 THR MG 3.150 . 3.500 2.743 2.486 2.956 . 0 0 "[ . 1 . 2]" 1
103 1 4 HIS HA 1 36 LEU H 3.650 . 5.500 4.185 4.099 4.286 . 0 0 "[ . 1 . 2]" 1
104 1 4 HIS HA 1 35 CYS HB3 2.650 . 3.500 3.134 2.966 3.391 . 0 0 "[ . 1 . 2]" 1
105 1 4 HIS HB2 1 4 HIS HD2 3.150 . 3.500 3.139 3.031 3.245 . 0 0 "[ . 1 . 2]" 1
106 1 4 HIS HB2 1 5 TYR QD 3.650 . 5.500 4.834 4.368 5.492 . 0 0 "[ . 1 . 2]" 1
107 1 4 HIS HB2 1 23 THR HA 4.150 . 6.500 5.459 5.301 5.667 . 0 0 "[ . 1 . 2]" 1
108 1 4 HIS HB2 1 20 ALA H 3.150 . 4.500 4.359 4.101 4.535 0.035 18 0 "[ . 1 . 2]" 1
109 1 4 HIS HB2 1 20 ALA MB 3.650 . 5.500 3.970 3.505 4.602 . 0 0 "[ . 1 . 2]" 1
110 1 4 HIS HB2 1 23 THR HB 3.150 . 4.500 3.537 3.329 3.709 . 0 0 "[ . 1 . 2]" 1
111 1 4 HIS HB2 1 23 THR MG 3.150 . 3.500 2.236 2.086 2.410 . 0 0 "[ . 1 . 2]" 1
112 1 4 HIS HB3 1 4 HIS HD2 3.150 . 4.500 3.946 3.870 3.978 . 0 0 "[ . 1 . 2]" 1
113 1 4 HIS HB3 1 5 TYR H 3.150 . 4.500 3.681 3.643 3.728 . 0 0 "[ . 1 . 2]" 1
114 1 4 HIS HB3 1 5 TYR H 2.650 . 3.500 3.423 3.325 3.503 0.003 17 0 "[ . 1 . 2]" 1
115 1 4 HIS HB3 1 5 TYR QD 2.650 . 2.800 2.413 2.251 2.670 . 0 0 "[ . 1 . 2]" 1
116 1 4 HIS HB3 1 5 TYR QE 3.650 . 4.500 4.117 3.918 4.238 . 0 0 "[ . 1 . 2]" 1
117 1 4 HIS HB3 1 6 GLY H 3.650 . 5.500 4.130 4.066 4.192 . 0 0 "[ . 1 . 2]" 1
118 1 4 HIS HB3 1 36 LEU MD2 3.650 . 5.500 4.338 4.103 4.539 . 0 0 "[ . 1 . 2]" 1
119 1 4 HIS HB3 1 23 THR MG 3.650 . 5.500 3.719 3.597 3.866 . 0 0 "[ . 1 . 2]" 1
120 1 4 HIS HB3 1 23 THR MG 3.150 . 4.500 3.175 3.060 3.265 . 0 0 "[ . 1 . 2]" 1
121 1 4 HIS HD2 1 4 HIS HE1 3.650 . 5.500 3.650 3.174 3.969 . 0 0 "[ . 1 . 2]" 1
122 1 4 HIS HD2 1 5 TYR H 2.650 . 3.500 3.078 2.588 3.451 . 0 0 "[ . 1 . 2]" 1
123 1 4 HIS HD2 1 5 TYR H 2.650 . 3.500 2.897 2.546 3.143 . 0 0 "[ . 1 . 2]" 1
124 1 4 HIS HD2 1 20 ALA MB 3.650 . 5.500 4.134 3.930 4.311 . 0 0 "[ . 1 . 2]" 1
125 1 4 HIS HD2 1 36 LEU QB 3.150 . 4.500 4.056 3.934 4.212 . 0 0 "[ . 1 . 2]" 1
126 1 4 HIS HD2 1 34 GLN HG3 3.650 . 5.500 4.235 3.764 4.731 . 0 0 "[ . 1 . 2]" 1
127 1 4 HIS HD2 1 36 LEU MD2 2.650 . 2.800 2.609 2.388 2.822 0.022 8 0 "[ . 1 . 2]" 1
128 1 4 HIS HD2 1 23 THR HB 3.650 . 5.500 3.031 2.668 3.665 . 0 0 "[ . 1 . 2]" 1
129 1 4 HIS HD2 1 23 THR MG 3.150 . 3.500 2.356 2.032 2.771 . 0 0 "[ . 1 . 2]" 1
130 1 4 HIS HD2 1 36 LEU HA 2.650 . 3.500 2.082 1.916 2.379 . 0 0 "[ . 1 . 2]" 1
131 1 4 HIS HD2 1 36 LEU QB 3.650 . 5.500 4.169 4.022 4.396 . 0 0 "[ . 1 . 2]" 1
132 1 4 HIS HD2 1 36 LEU MD2 3.150 . 4.500 3.021 2.476 3.695 . 0 0 "[ . 1 . 2]" 1
133 1 4 HIS HE1 1 5 TYR QE 3.650 . 5.500 2.723 2.311 3.387 . 0 0 "[ . 1 . 2]" 1
134 1 4 HIS HE1 1 23 THR MG 3.650 . 5.500 4.792 4.362 5.202 . 0 0 "[ . 1 . 2]" 1
135 1 4 HIS HE1 1 36 LEU QB 3.650 . 5.500 3.982 3.856 4.062 . 0 0 "[ . 1 . 2]" 1
136 1 4 HIS HE1 1 36 LEU HB3 3.150 . 4.500 3.999 3.867 4.075 . 0 0 "[ . 1 . 2]" 1
137 1 4 HIS HE1 1 36 LEU HA 3.650 . 5.500 4.602 4.314 4.921 . 0 0 "[ . 1 . 2]" 1
138 1 5 TYR H 1 5 TYR HB2 3.650 . 5.500 3.611 3.524 3.702 . 0 0 "[ . 1 . 2]" 1
139 1 5 TYR H 1 6 GLY H 3.150 . 4.500 2.551 2.494 2.629 . 0 0 "[ . 1 . 2]" 1
140 1 5 TYR H 1 23 THR MG 3.650 . 5.500 4.350 4.043 4.601 . 0 0 "[ . 1 . 2]" 1
141 1 5 TYR H 1 23 THR MG 3.150 . 4.500 3.601 3.491 3.683 . 0 0 "[ . 1 . 2]" 1
142 1 5 TYR H 1 35 CYS HA 3.650 . 5.500 3.851 3.700 3.934 . 0 0 "[ . 1 . 2]" 1
143 1 5 TYR H 1 35 CYS HB3 3.150 . 4.500 3.793 3.589 3.919 . 0 0 "[ . 1 . 2]" 1
144 1 5 TYR H 1 34 GLN HG2 3.650 . 5.500 3.197 2.866 3.665 . 0 0 "[ . 1 . 2]" 1
145 1 5 TYR H 1 35 CYS HB2 2.650 . 3.500 3.009 2.761 3.221 . 0 0 "[ . 1 . 2]" 1
146 1 5 TYR H 1 36 LEU MD2 3.150 . 4.500 3.049 2.737 3.581 . 0 0 "[ . 1 . 2]" 1
147 1 5 TYR HA 1 5 TYR HB3 2.650 . 3.500 2.566 2.495 2.653 . 0 0 "[ . 1 . 2]" 1
148 1 5 TYR HA 1 5 TYR QD 2.650 . 3.500 2.751 2.188 3.064 . 0 0 "[ . 1 . 2]" 1
149 1 5 TYR HA 1 5 TYR QE 3.650 . 5.500 4.526 4.360 4.611 . 0 0 "[ . 1 . 2]" 1
150 1 5 TYR HA 1 5 TYR QE 3.650 . 5.500 3.893 3.713 4.060 . 0 0 "[ . 1 . 2]" 1
151 1 5 TYR HA 1 6 GLY H 2.650 . 3.500 3.075 2.910 3.143 . 0 0 "[ . 1 . 2]" 1
152 1 5 TYR HA 1 34 GLN HG2 2.650 . 3.500 2.334 2.169 2.598 . 0 0 "[ . 1 . 2]" 1
153 1 5 TYR HA 1 34 GLN HE21 3.150 . 4.500 3.203 2.580 3.538 . 0 0 "[ . 1 . 2]" 1
154 1 5 TYR HA 1 34 GLN HE22 3.150 . 4.500 3.603 3.248 3.844 . 0 0 "[ . 1 . 2]" 1
155 1 5 TYR HA 1 34 GLN HG2 2.650 . 3.500 2.431 2.221 2.821 . 0 0 "[ . 1 . 2]" 1
156 1 5 TYR HA 1 34 GLN HG3 3.650 . 4.500 2.404 2.118 2.715 . 0 0 "[ . 1 . 2]" 1
157 1 5 TYR HA 1 35 CYS H 3.650 . 5.500 4.094 3.888 4.221 . 0 0 "[ . 1 . 2]" 1
158 1 5 TYR HB2 1 5 TYR QD 2.650 . 2.800 2.355 2.248 2.505 . 0 0 "[ . 1 . 2]" 1
159 1 5 TYR HB2 1 6 GLY H 3.650 . 5.500 3.967 3.906 4.107 . 0 0 "[ . 1 . 2]" 1
160 1 5 TYR HB2 1 34 GLN HE21 3.650 . 5.500 5.299 4.311 5.550 0.050 20 0 "[ . 1 . 2]" 1
161 1 5 TYR HB2 1 34 GLN HE22 3.650 . 5.500 5.356 4.682 5.527 0.027 15 0 "[ . 1 . 2]" 1
162 1 5 TYR HB2 1 36 LEU MD2 3.650 . 5.500 4.752 4.421 5.195 . 0 0 "[ . 1 . 2]" 1
163 1 5 TYR HB3 1 6 GLY H 3.150 . 4.500 3.923 3.805 4.014 . 0 0 "[ . 1 . 2]" 1
164 1 5 TYR HB3 1 34 GLN HE21 3.150 . 4.500 3.925 2.898 4.514 0.014 18 0 "[ . 1 . 2]" 1
165 1 5 TYR HB3 1 34 GLN HE22 3.150 . 4.500 3.792 2.958 4.132 . 0 0 "[ . 1 . 2]" 1
166 1 5 TYR QD 1 36 LEU MD1 3.650 . 5.500 3.435 3.081 4.329 . 0 0 "[ . 1 . 2]" 1
167 1 5 TYR QD 1 34 GLN HE21 3.150 . 4.500 3.573 2.574 4.222 . 0 0 "[ . 1 . 2]" 1
168 1 5 TYR QD 1 34 GLN HG2 3.650 . 4.500 4.104 3.514 4.547 0.047 3 0 "[ . 1 . 2]" 1
169 1 5 TYR QD 1 35 CYS H 4.150 . 6.500 6.192 5.879 6.410 . 0 0 "[ . 1 . 2]" 1
170 1 5 TYR QD 1 36 LEU MD2 2.650 . 3.500 2.960 2.511 3.510 0.010 14 0 "[ . 1 . 2]" 1
171 1 5 TYR QE 1 34 GLN HG2 3.650 . 5.500 3.377 2.865 3.992 . 0 0 "[ . 1 . 2]" 1
172 1 5 TYR QE 1 36 LEU MD2 2.650 . 3.500 2.887 2.476 3.505 0.005 14 0 "[ . 1 . 2]" 1
173 1 6 GLY H 1 6 GLY HA2 2.650 . 3.500 2.914 2.901 2.930 . 0 0 "[ . 1 . 2]" 1
174 1 6 GLY H 1 6 GLY HA3 2.650 . 3.500 2.348 2.324 2.375 . 0 0 "[ . 1 . 2]" 1
175 1 6 GLY H 1 6 GLY HA3 2.300 . 2.800 2.240 2.216 2.268 . 0 0 "[ . 1 . 2]" 1
176 1 6 GLY H 1 35 CYS H 3.650 . 5.500 3.216 3.134 3.324 . 0 0 "[ . 1 . 2]" 1
177 1 6 GLY H 1 35 CYS HB2 3.150 . 4.500 2.770 2.598 2.913 . 0 0 "[ . 1 . 2]" 1
178 1 6 GLY H 1 35 CYS HB3 3.650 . 5.500 4.480 4.303 4.629 . 0 0 "[ . 1 . 2]" 1
179 1 6 GLY HA2 1 7 GLN H 3.150 . 4.500 2.336 2.284 2.393 . 0 0 "[ . 1 . 2]" 1
180 1 6 GLY HA2 1 7 GLN H 2.300 . 2.800 2.240 2.197 2.283 . 0 0 "[ . 1 . 2]" 1
181 1 6 GLY HA2 1 32 TYR QE 3.150 . 4.500 3.858 3.455 4.504 0.004 18 0 "[ . 1 . 2]" 1
182 1 6 GLY HA3 1 7 GLN H 2.650 . 3.500 2.832 2.728 2.920 . 0 0 "[ . 1 . 2]" 1
183 1 6 GLY HA3 1 35 CYS HB2 3.150 . 4.500 3.708 3.612 3.802 . 0 0 "[ . 1 . 2]" 1
184 1 7 GLN H 1 7 GLN HB2 2.650 . 3.500 2.613 2.450 2.817 . 0 0 "[ . 1 . 2]" 1
185 1 7 GLN H 1 7 GLN HB3 2.650 . 3.500 2.531 2.430 2.676 . 0 0 "[ . 1 . 2]" 1
186 1 7 GLN H 1 32 TYR QE 3.650 . 5.500 4.357 3.915 5.205 . 0 0 "[ . 1 . 2]" 1
187 1 7 GLN HA 1 8 CYS HA 3.650 . 5.500 4.027 3.954 4.139 . 0 0 "[ . 1 . 2]" 1
188 1 7 GLN HA 1 7 GLN HB2 2.650 . 2.800 2.512 2.417 2.595 . 0 0 "[ . 1 . 2]" 1
189 1 7 GLN HA 1 7 GLN HE21 3.650 . 5.500 4.606 4.318 4.926 . 0 0 "[ . 1 . 2]" 1
190 1 7 GLN HA 1 7 GLN HG2 . . 3.500 3.126 2.952 3.273 . 0 0 "[ . 1 . 2]" 1
191 1 7 GLN HA 1 7 GLN HG3 2.650 . 3.500 2.584 2.519 2.715 . 0 0 "[ . 1 . 2]" 1
192 1 7 GLN HA 1 8 CYS H 2.300 . 2.800 2.130 2.064 2.172 . 0 0 "[ . 1 . 2]" 1
193 1 7 GLN HA 1 9 GLY H 2.650 . 3.500 2.755 2.714 2.814 . 0 0 "[ . 1 . 2]" 1
194 1 7 GLN HA 1 9 GLY H 3.150 . 4.500 3.568 3.227 3.844 . 0 0 "[ . 1 . 2]" 1
195 1 7 GLN HA 1 32 TYR HA 3.150 . 4.500 4.003 3.930 4.090 . 0 0 "[ . 1 . 2]" 1
196 1 7 GLN HA 1 33 SER HB2 3.150 . 4.500 3.182 2.912 3.341 . 0 0 "[ . 1 . 2]" 1
197 1 7 GLN HA 1 32 TYR HA 3.650 . 5.500 4.610 4.360 4.971 . 0 0 "[ . 1 . 2]" 1
198 1 7 GLN HA 1 33 SER H 3.150 . 4.500 3.652 3.429 4.013 . 0 0 "[ . 1 . 2]" 1
199 1 7 GLN HA 1 32 TYR QD 3.650 . 5.500 4.713 4.226 5.300 . 0 0 "[ . 1 . 2]" 1
200 1 7 GLN HA 1 32 TYR QE 3.650 . 5.500 3.982 3.566 4.635 . 0 0 "[ . 1 . 2]" 1
201 1 7 GLN HA 1 34 GLN HB2 3.150 . 4.500 3.788 3.073 4.142 . 0 0 "[ . 1 . 2]" 1
202 1 7 GLN HA 1 35 CYS H 3.150 . 4.500 3.800 3.522 3.991 . 0 0 "[ . 1 . 2]" 1
203 1 7 GLN HB2 1 7 GLN HG2 2.650 . 3.500 3.017 3.011 3.024 . 0 0 "[ . 1 . 2]" 1
204 1 7 GLN HB2 1 7 GLN HG2 2.650 . 3.500 2.918 2.847 2.956 . 0 0 "[ . 1 . 2]" 1
205 1 7 GLN HB2 1 7 GLN HG2 2.650 . 3.500 2.554 2.238 2.661 . 0 0 "[ . 1 . 2]" 1
206 1 7 GLN HB2 1 8 CYS H 3.650 . 5.500 4.277 4.162 4.345 . 0 0 "[ . 1 . 2]" 1
207 1 7 GLN HB2 1 32 TYR QD 3.650 . 5.500 3.550 2.953 4.128 . 0 0 "[ . 1 . 2]" 1
208 1 7 GLN HB2 1 32 TYR QE 2.650 . 3.500 2.458 2.127 3.039 . 0 0 "[ . 1 . 2]" 1
209 1 7 GLN HB2 1 33 SER H 3.150 . 4.500 3.728 3.382 3.882 . 0 0 "[ . 1 . 2]" 1
210 1 7 GLN HB3 1 7 GLN HE21 3.650 . 5.500 4.120 2.925 4.542 . 0 0 "[ . 1 . 2]" 1
211 1 7 GLN HB3 1 8 CYS H 3.650 . 5.500 4.319 4.174 4.464 . 0 0 "[ . 1 . 2]" 1
212 1 7 GLN HB3 1 9 GLY H 3.650 . 5.500 5.387 4.619 5.524 0.024 1 0 "[ . 1 . 2]" 1
213 1 7 GLN HB3 1 13 TYR QE . . 3.500 3.266 2.215 3.535 0.035 3 0 "[ . 1 . 2]" 1
214 1 7 GLN HB3 1 32 TYR QE 3.150 . 4.500 4.098 3.792 4.502 0.002 18 0 "[ . 1 . 2]" 1
215 1 7 GLN HE21 1 7 GLN HG2 2.650 . 3.500 2.415 2.166 2.973 . 0 0 "[ . 1 . 2]" 1
216 1 7 GLN HE21 1 7 GLN HG3 2.650 . 3.500 2.827 2.331 3.390 . 0 0 "[ . 1 . 2]" 1
217 1 7 GLN HE21 1 10 GLY HA3 3.650 . 5.500 3.877 3.127 5.220 . 0 0 "[ . 1 . 2]" 1
218 1 7 GLN HE21 1 13 TYR QB 3.150 . 3.500 2.559 1.847 3.510 0.010 16 0 "[ . 1 . 2]" 1
219 1 7 GLN HE21 1 13 TYR QD 2.650 . 3.500 2.788 1.979 3.288 . 0 0 "[ . 1 . 2]" 1
220 1 7 GLN HE21 1 32 TYR HA 3.150 . 4.500 3.285 2.110 4.546 0.046 3 0 "[ . 1 . 2]" 1
221 1 7 GLN HE21 1 33 SER H 3.150 . 4.500 3.621 2.696 4.511 0.011 3 0 "[ . 1 . 2]" 1
222 1 7 GLN HE22 1 7 GLN HG2 3.150 . 4.500 3.395 3.204 3.636 . 0 0 "[ . 1 . 2]" 1
223 1 7 GLN HE22 1 10 GLY HA2 4.150 . 6.500 5.563 4.662 6.218 . 0 0 "[ . 1 . 2]" 1
224 1 7 GLN HE22 1 10 GLY HA3 4.150 . 6.500 5.070 4.419 6.217 . 0 0 "[ . 1 . 2]" 1
225 1 7 GLN HE22 1 13 TYR QB 2.650 . 3.500 3.203 2.615 3.543 0.043 16 0 "[ . 1 . 2]" 1
226 1 7 GLN HE22 1 13 TYR QB 2.650 . 3.500 3.128 2.600 3.420 . 0 0 "[ . 1 . 2]" 1
227 1 7 GLN HE22 1 32 TYR HA 3.650 . 5.500 3.836 3.239 4.428 . 0 0 "[ . 1 . 2]" 1
228 1 7 GLN HG2 1 8 CYS HA 3.150 . 4.500 3.856 3.571 4.016 . 0 0 "[ . 1 . 2]" 1
229 1 7 GLN HG2 1 8 CYS H 3.150 . 4.500 3.670 3.365 3.945 . 0 0 "[ . 1 . 2]" 1
230 1 7 GLN HG2 1 9 GLY H 3.150 . 4.500 3.562 2.737 3.829 . 0 0 "[ . 1 . 2]" 1
231 1 7 GLN HG2 1 9 GLY H 2.650 . 3.500 3.044 2.682 3.277 . 0 0 "[ . 1 . 2]" 1
232 1 7 GLN HG2 1 10 GLY H 3.650 . 5.500 3.291 2.702 4.023 . 0 0 "[ . 1 . 2]" 1
233 1 7 GLN HG2 1 13 TYR QB 3.650 . 5.500 3.334 2.951 3.723 . 0 0 "[ . 1 . 2]" 1
234 1 7 GLN HG2 1 34 GLN H 3.650 . 5.500 3.766 3.546 4.098 . 0 0 "[ . 1 . 2]" 1
235 1 7 GLN HG3 1 8 CYS H 3.150 . 4.500 3.747 3.387 3.997 . 0 0 "[ . 1 . 2]" 1
236 1 7 GLN HG3 1 32 TYR QD 3.150 . 4.500 3.150 2.723 3.844 . 0 0 "[ . 1 . 2]" 1
237 1 7 GLN HG3 1 32 TYR QE 3.150 . 4.500 3.649 3.105 4.136 . 0 0 "[ . 1 . 2]" 1
238 1 7 GLN HG3 1 33 SER H 2.650 . 3.500 2.332 2.017 2.627 . 0 0 "[ . 1 . 2]" 1
239 1 8 CYS H 1 8 CYS HB2 3.150 . 4.500 3.554 3.510 3.615 . 0 0 "[ . 1 . 2]" 1
240 1 8 CYS H 1 8 CYS HB3 2.650 . 3.500 2.824 2.735 2.925 . 0 0 "[ . 1 . 2]" 1
241 1 8 CYS H 1 9 GLY H 2.300 . 2.800 2.735 2.364 2.843 0.043 3 0 "[ . 1 . 2]" 1
242 1 8 CYS H 1 13 TYR QD 3.650 . 5.500 4.176 4.105 4.230 . 0 0 "[ . 1 . 2]" 1
243 1 8 CYS H 1 17 THR HA 3.650 . 5.500 5.468 5.256 5.536 0.036 19 0 "[ . 1 . 2]" 1
244 1 8 CYS H 1 34 GLN HA 3.650 . 5.500 2.540 2.102 2.773 . 0 0 "[ . 1 . 2]" 1
245 1 8 CYS HA 1 8 CYS HB2 2.650 . 2.800 2.554 2.522 2.584 . 0 0 "[ . 1 . 2]" 1
246 1 8 CYS HA 1 8 CYS HB3 2.650 . 3.500 2.337 2.317 2.389 . 0 0 "[ . 1 . 2]" 1
247 1 8 CYS HA 1 8 CYS HB3 . . 2.800 2.265 2.248 2.306 . 0 0 "[ . 1 . 2]" 1
248 1 8 CYS HA 1 9 GLY HA2 3.650 . 5.500 3.833 3.750 4.016 . 0 0 "[ . 1 . 2]" 1
249 1 8 CYS HA 1 17 THR HB 3.150 . 4.500 3.440 3.274 3.692 . 0 0 "[ . 1 . 2]" 1
250 1 8 CYS HA 1 19 CYS HA 3.150 . 4.500 3.420 3.258 3.646 . 0 0 "[ . 1 . 2]" 1
251 1 8 CYS HA 1 17 THR HA 2.650 . 3.500 3.134 2.814 3.260 . 0 0 "[ . 1 . 2]" 1
252 1 8 CYS HB2 1 17 THR HB 3.150 . 4.500 3.520 3.298 3.660 . 0 0 "[ . 1 . 2]" 1
253 1 8 CYS HB2 1 17 THR MG 3.650 . 5.500 4.036 3.639 4.199 . 0 0 "[ . 1 . 2]" 1
254 1 8 CYS HB2 1 17 THR HA 3.150 . 3.500 3.116 2.709 3.313 . 0 0 "[ . 1 . 2]" 1
255 1 8 CYS HB2 1 17 THR HB 3.150 . 4.500 3.661 3.380 3.841 . 0 0 "[ . 1 . 2]" 1
256 1 8 CYS HB2 1 17 THR MG 3.650 . 5.500 4.268 3.758 4.537 . 0 0 "[ . 1 . 2]" 1
257 1 8 CYS HB2 1 25 CYS HB2 3.150 . 4.500 2.746 2.582 3.141 . 0 0 "[ . 1 . 2]" 1
258 1 8 CYS HB2 1 25 CYS HB3 3.150 . 4.500 4.100 3.954 4.389 . 0 0 "[ . 1 . 2]" 1
259 1 8 CYS HB3 1 17 THR HA 3.150 . 4.500 4.330 3.917 4.504 0.004 11 0 "[ . 1 . 2]" 1
260 1 8 CYS HB3 1 25 CYS HB2 3.150 . 4.500 3.216 2.958 3.400 . 0 0 "[ . 1 . 2]" 1
261 1 8 CYS HB3 1 35 CYS H 3.650 . 5.500 3.655 3.338 3.864 . 0 0 "[ . 1 . 2]" 1
262 1 9 GLY H 1 9 GLY HA2 2.650 . 3.500 2.612 2.384 2.707 . 0 0 "[ . 1 . 2]" 1
263 1 9 GLY H 1 10 GLY H 3.650 . 5.500 3.250 2.899 3.751 . 0 0 "[ . 1 . 2]" 1
264 1 9 GLY H 1 33 SER HB2 2.650 . 3.500 2.084 1.868 2.384 . 0 0 "[ . 1 . 2]" 1
265 1 9 GLY H 1 33 SER HB3 3.150 . 4.500 3.170 2.942 3.456 . 0 0 "[ . 1 . 2]" 1
266 1 9 GLY H 1 34 GLN H 3.650 . 5.500 4.126 3.970 4.174 . 0 0 "[ . 1 . 2]" 1
267 1 9 GLY HA2 1 10 GLY H 2.300 . 2.800 2.020 1.900 2.111 . 0 0 "[ . 1 . 2]" 1
268 1 9 GLY HA2 1 13 TYR H 3.650 . 5.500 3.701 3.570 3.836 . 0 0 "[ . 1 . 2]" 1
269 1 9 GLY HA2 1 13 TYR H 2.650 . 3.500 3.342 3.214 3.523 0.023 13 0 "[ . 1 . 2]" 1
270 1 9 GLY HA2 1 33 SER HB3 3.150 . 4.500 4.538 4.510 4.584 0.084 16 0 "[ . 1 . 2]" 1
271 1 9 GLY HA2 1 13 TYR QB 2.300 . 2.800 2.188 1.931 2.546 . 0 0 "[ . 1 . 2]" 1
272 1 9 GLY HA2 1 13 TYR QD 3.150 . 4.500 2.513 2.097 3.439 . 0 0 "[ . 1 . 2]" 1
273 1 9 GLY HA2 1 17 THR MG 3.150 . 4.500 2.998 2.472 4.521 0.021 20 0 "[ . 1 . 2]" 1
274 1 9 GLY HA3 1 10 GLY H 2.650 . 3.500 3.395 3.110 3.509 0.009 3 0 "[ . 1 . 2]" 1
275 1 9 GLY HA3 1 13 TYR QB 3.150 . 4.500 3.348 2.032 4.022 . 0 0 "[ . 1 . 2]" 1
276 1 9 GLY HA3 1 13 TYR QD 2.650 . 3.500 3.234 2.270 3.509 0.009 15 0 "[ . 1 . 2]" 1
277 1 9 GLY HA3 1 17 THR MG . . 3.500 2.136 1.912 2.966 . 0 0 "[ . 1 . 2]" 1
278 1 10 GLY H 1 10 GLY HA2 2.650 . 3.500 2.915 2.887 2.928 . 0 0 "[ . 1 . 2]" 1
279 1 10 GLY H 1 13 TYR H 3.150 . 4.500 3.282 3.076 3.456 . 0 0 "[ . 1 . 2]" 1
280 1 10 GLY H 1 13 TYR QB 3.150 . 4.500 2.303 1.936 2.918 . 0 0 "[ . 1 . 2]" 1
281 1 10 GLY H 1 13 TYR QD 3.150 . 4.500 3.210 3.088 3.365 . 0 0 "[ . 1 . 2]" 1
282 1 10 GLY H 1 13 TYR QD 3.650 . 5.500 3.362 3.204 3.535 . 0 0 "[ . 1 . 2]" 1
283 1 10 GLY H 1 33 SER HB3 3.150 . 4.500 3.704 3.557 3.886 . 0 0 "[ . 1 . 2]" 1
284 1 10 GLY HA2 1 11 ILE H 3.150 . 4.500 2.707 2.584 2.844 . 0 0 "[ . 1 . 2]" 1
285 1 10 GLY HA2 1 27 VAL MG2 3.150 . 3.500 3.318 3.168 3.505 0.005 6 0 "[ . 1 . 2]" 1
286 1 10 GLY HA3 1 11 ILE H 2.650 . 3.500 2.501 2.320 2.650 . 0 0 "[ . 1 . 2]" 1
287 1 10 GLY HA3 1 11 ILE H 2.300 . 2.800 2.333 2.207 2.425 . 0 0 "[ . 1 . 2]" 1
288 1 10 GLY HA3 1 32 TYR H 3.650 . 5.500 4.255 4.069 4.594 . 0 0 "[ . 1 . 2]" 1
289 1 11 ILE H 1 13 TYR H 3.650 . 5.500 3.848 3.713 4.000 . 0 0 "[ . 1 . 2]" 1
290 1 11 ILE H 1 11 ILE HB 2.650 . 3.500 2.546 2.431 2.632 . 0 0 "[ . 1 . 2]" 1
291 1 11 ILE H 1 11 ILE MD 3.150 . 4.500 3.573 3.490 3.644 . 0 0 "[ . 1 . 2]" 1
292 1 11 ILE H 1 11 ILE HG12 3.150 . 4.500 3.363 3.201 3.458 . 0 0 "[ . 1 . 2]" 1
293 1 11 ILE H 1 11 ILE HG12 3.150 . 4.500 3.078 2.956 3.169 . 0 0 "[ . 1 . 2]" 1
294 1 11 ILE H 1 11 ILE HG13 2.650 . 3.500 2.098 1.948 2.199 . 0 0 "[ . 1 . 2]" 1
295 1 11 ILE H 1 11 ILE MG 3.150 . 4.500 3.724 3.683 3.754 . 0 0 "[ . 1 . 2]" 1
296 1 11 ILE H 1 13 TYR H 3.650 . 5.500 4.013 3.885 4.214 . 0 0 "[ . 1 . 2]" 1
297 1 11 ILE H 1 13 TYR QB 3.150 . 4.500 3.697 3.523 3.815 . 0 0 "[ . 1 . 2]" 1
298 1 11 ILE H 1 31 TYR HA 2.650 . 3.500 2.127 1.919 2.504 . 0 0 "[ . 1 . 2]" 1
299 1 11 ILE H 1 31 TYR HB2 3.650 . 5.500 5.142 4.929 5.509 0.009 20 0 "[ . 1 . 2]" 1
300 1 11 ILE H 1 31 TYR HB3 3.650 . 5.500 4.375 4.158 4.691 . 0 0 "[ . 1 . 2]" 1
301 1 11 ILE H 1 31 TYR QD 3.650 . 5.500 4.106 3.719 4.488 . 0 0 "[ . 1 . 2]" 1
302 1 11 ILE HA 1 11 ILE MD 3.650 . 4.500 3.856 3.819 3.901 . 0 0 "[ . 1 . 2]" 1
303 1 11 ILE HA 1 11 ILE HG12 3.150 . 3.500 2.556 2.501 2.646 . 0 0 "[ . 1 . 2]" 1
304 1 11 ILE HA 1 11 ILE HG13 3.150 . 3.500 3.017 2.943 3.075 . 0 0 "[ . 1 . 2]" 1
305 1 11 ILE HA 1 11 ILE MG 2.650 . 2.800 2.437 2.380 2.485 . 0 0 "[ . 1 . 2]" 1
306 1 11 ILE HA 1 12 GLY H 2.300 . 2.800 2.136 2.066 2.190 . 0 0 "[ . 1 . 2]" 1
307 1 11 ILE HA 1 13 TYR H 3.150 . 4.500 3.553 3.373 3.763 . 0 0 "[ . 1 . 2]" 1
308 1 11 ILE HB 1 11 ILE MD 2.650 . 2.800 2.438 2.413 2.457 . 0 0 "[ . 1 . 2]" 1
309 1 11 ILE HB 1 11 ILE MD 2.650 . 3.500 2.331 2.210 2.436 . 0 0 "[ . 1 . 2]" 1
310 1 11 ILE HB 1 11 ILE HG13 2.650 . 3.500 2.479 2.461 2.513 . 0 0 "[ . 1 . 2]" 1
311 1 11 ILE HB 1 11 ILE MG 2.300 . 2.800 2.137 2.125 2.145 . 0 0 "[ . 1 . 2]" 1
312 1 11 ILE HB 1 31 TYR QD 2.650 . 3.500 2.329 2.008 2.676 . 0 0 "[ . 1 . 2]" 1
313 1 11 ILE HB 1 31 TYR QE 3.150 . 4.500 2.951 2.742 3.187 . 0 0 "[ . 1 . 2]" 1
314 1 11 ILE HB 1 31 TYR HA 3.150 . 3.500 2.683 2.313 3.150 . 0 0 "[ . 1 . 2]" 1
315 1 11 ILE HB 1 31 TYR QD 2.650 . 3.500 2.597 2.023 3.223 . 0 0 "[ . 1 . 2]" 1
316 1 11 ILE HB 1 31 TYR QE 3.150 . 4.500 3.351 2.901 3.806 . 0 0 "[ . 1 . 2]" 1
317 1 11 ILE MD 1 11 ILE HG13 2.300 . 2.800 2.122 2.115 2.126 . 0 0 "[ . 1 . 2]" 1
318 1 11 ILE MD 1 11 ILE MG 2.300 . 2.800 1.953 1.925 1.984 . 0 0 "[ . 1 . 2]" 1
319 1 11 ILE MD 1 12 GLY H 3.650 . 5.500 5.254 5.138 5.384 . 0 0 "[ . 1 . 2]" 1
320 1 11 ILE MD 1 27 VAL MG1 3.650 . 5.500 4.964 4.489 5.295 . 0 0 "[ . 1 . 2]" 1
321 1 11 ILE MD 1 30 PRO HA 3.650 . 5.500 3.612 3.330 4.296 . 0 0 "[ . 1 . 2]" 1
322 1 11 ILE MD 1 30 PRO HB3 3.150 . 4.500 2.596 2.313 3.598 . 0 0 "[ . 1 . 2]" 1
323 1 11 ILE MD 1 31 TYR HA 3.650 . 5.500 4.062 3.720 4.495 . 0 0 "[ . 1 . 2]" 1
324 1 11 ILE MD 1 31 TYR QD 3.650 . 4.500 4.005 3.614 4.405 . 0 0 "[ . 1 . 2]" 1
325 1 11 ILE MD 1 31 TYR QE 3.150 . 4.500 3.749 3.338 4.173 . 0 0 "[ . 1 . 2]" 1
326 1 11 ILE HG12 1 12 GLY H 3.150 . 4.500 3.323 3.151 3.479 . 0 0 "[ . 1 . 2]" 1
327 1 11 ILE HG12 1 12 GLY H 3.650 . 5.500 3.685 3.513 3.749 . 0 0 "[ . 1 . 2]" 1
328 1 11 ILE HG13 1 31 TYR QD 3.650 . 5.500 4.760 4.371 5.111 . 0 0 "[ . 1 . 2]" 1
329 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.912 2.758 3.110 . 0 0 "[ . 1 . 2]" 1
330 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.848 2.729 3.038 . 0 0 "[ . 1 . 2]" 1
331 1 11 ILE MG 1 12 GLY H 2.650 . 3.500 2.795 2.690 2.961 . 0 0 "[ . 1 . 2]" 1
332 1 11 ILE MG 1 12 GLY HA2 3.150 . 4.500 3.638 3.455 3.813 . 0 0 "[ . 1 . 2]" 1
333 1 11 ILE MG 1 31 TYR HA 3.150 . 4.500 4.197 3.847 4.544 0.044 20 0 "[ . 1 . 2]" 1
334 1 11 ILE MG 1 31 TYR QD 3.150 . 4.500 2.949 2.368 3.370 . 0 0 "[ . 1 . 2]" 1
335 1 11 ILE MG 1 31 TYR QE 2.650 . 3.500 2.641 2.348 2.907 . 0 0 "[ . 1 . 2]" 1
336 1 12 GLY H 1 12 GLY HA2 2.650 . 3.500 2.395 2.341 2.437 . 0 0 "[ . 1 . 2]" 1
337 1 12 GLY H 1 12 GLY HA3 2.650 . 3.500 2.934 2.907 2.948 . 0 0 "[ . 1 . 2]" 1
338 1 12 GLY H 1 13 TYR H 2.650 . 3.500 2.417 2.192 2.710 . 0 0 "[ . 1 . 2]" 1
339 1 12 GLY H 1 13 TYR QB 3.150 . 4.500 3.710 3.617 3.765 . 0 0 "[ . 1 . 2]" 1
340 1 12 GLY H 1 14 SER HB3 3.650 . 5.500 4.722 4.510 4.976 . 0 0 "[ . 1 . 2]" 1
341 1 12 GLY HA2 1 13 TYR H 3.150 . 4.500 3.334 3.033 3.479 . 0 0 "[ . 1 . 2]" 1
342 1 12 GLY HA2 1 31 TYR QE 3.650 . 5.500 4.337 3.764 4.646 . 0 0 "[ . 1 . 2]" 1
343 1 12 GLY HA3 1 13 TYR H 3.650 . 5.500 3.191 2.960 3.457 . 0 0 "[ . 1 . 2]" 1
344 1 13 TYR H 1 13 TYR HA 2.650 . 3.500 2.928 2.890 2.953 . 0 0 "[ . 1 . 2]" 1
345 1 13 TYR H 1 13 TYR QB 2.300 . 2.800 2.376 2.252 2.462 . 0 0 "[ . 1 . 2]" 1
346 1 13 TYR H 1 13 TYR QB 2.650 . 3.500 2.264 2.174 2.326 . 0 0 "[ . 1 . 2]" 1
347 1 13 TYR H 1 13 TYR QD 3.150 . 4.500 3.832 3.806 3.849 . 0 0 "[ . 1 . 2]" 1
348 1 13 TYR HA 1 13 TYR QB 2.300 . 2.800 2.193 2.163 2.236 . 0 0 "[ . 1 . 2]" 1
349 1 13 TYR HA 1 13 TYR QD 3.150 . 4.500 3.024 2.676 3.232 . 0 0 "[ . 1 . 2]" 1
350 1 13 TYR HA 1 13 TYR QD 2.650 . 3.500 2.468 2.287 2.617 . 0 0 "[ . 1 . 2]" 1
351 1 13 TYR HA 1 13 TYR QE 3.650 . 5.500 4.085 3.994 4.170 . 0 0 "[ . 1 . 2]" 1
352 1 13 TYR HA 1 14 SER H 2.300 . 2.800 2.193 2.133 2.348 . 0 0 "[ . 1 . 2]" 1
353 1 13 TYR QB 1 13 TYR QD 2.650 . 3.500 2.135 2.108 2.151 . 0 0 "[ . 1 . 2]" 1
354 1 13 TYR QB 1 13 TYR QD 2.300 . 2.800 2.024 1.997 2.063 . 0 0 "[ . 1 . 2]" 1
355 1 13 TYR QD 1 14 SER H 3.650 . 5.500 3.624 3.148 3.991 . 0 0 "[ . 1 . 2]" 1
356 1 13 TYR QD 1 15 GLY H 3.650 . 5.500 2.604 2.272 2.897 . 0 0 "[ . 1 . 2]" 1
357 1 13 TYR QD 1 17 THR MG 3.150 . 4.500 2.559 2.136 2.934 . 0 0 "[ . 1 . 2]" 1
358 1 13 TYR QE 1 15 GLY H 3.150 . 4.500 3.062 2.805 3.290 . 0 0 "[ . 1 . 2]" 1
359 1 13 TYR QE 1 15 GLY HA3 3.150 . 4.500 2.908 2.635 3.263 . 0 0 "[ . 1 . 2]" 1
360 1 13 TYR QE 1 17 THR MG 2.650 . 3.500 3.368 2.815 3.522 0.022 2 0 "[ . 1 . 2]" 1
361 1 14 SER H 1 14 SER HA 2.650 . 3.500 2.926 2.907 2.935 . 0 0 "[ . 1 . 2]" 1
362 1 14 SER H 1 14 SER HB3 3.150 . 4.500 3.218 2.961 3.475 . 0 0 "[ . 1 . 2]" 1
363 1 14 SER H 1 15 GLY H 3.150 . 4.500 2.287 1.980 2.823 . 0 0 "[ . 1 . 2]" 1
364 1 14 SER HA 1 14 SER HB2 2.650 . 2.800 2.561 2.509 2.627 . 0 0 "[ . 1 . 2]" 1
365 1 14 SER HA 1 14 SER HB3 2.650 . 2.800 2.348 2.295 2.392 . 0 0 "[ . 1 . 2]" 1
366 1 14 SER HA 1 14 SER HB3 2.650 . 3.500 2.143 2.102 2.169 . 0 0 "[ . 1 . 2]" 1
367 1 14 SER HA 1 17 THR MG 2.650 . 3.500 2.778 2.293 3.029 . 0 0 "[ . 1 . 2]" 1
368 1 15 GLY H 1 17 THR MG 3.150 . 4.500 3.617 3.225 4.079 . 0 0 "[ . 1 . 2]" 1
369 1 15 GLY HA2 1 16 PRO HD2 2.650 . 3.500 3.447 3.270 3.510 0.010 3 0 "[ . 1 . 2]" 1
370 1 15 GLY HA3 1 16 PRO HB2 3.150 . 4.500 3.881 3.813 3.936 . 0 0 "[ . 1 . 2]" 1
371 1 15 GLY HA3 1 16 PRO QG 3.150 . 4.500 3.910 3.809 4.016 . 0 0 "[ . 1 . 2]" 1
372 1 16 PRO HA 1 16 PRO HB3 2.650 . 2.800 2.294 2.279 2.317 . 0 0 "[ . 1 . 2]" 1
373 1 16 PRO HA 1 16 PRO HD2 3.150 . 4.500 4.070 4.045 4.087 . 0 0 "[ . 1 . 2]" 1
374 1 16 PRO HA 1 16 PRO HG2 3.650 . 5.500 3.889 3.868 3.919 . 0 0 "[ . 1 . 2]" 1
375 1 16 PRO HA 1 16 PRO QG 2.650 . 3.500 3.506 3.496 3.518 0.018 5 0 "[ . 1 . 2]" 1
376 1 16 PRO HA 1 16 PRO HG2 3.150 . 4.500 3.629 3.422 3.701 . 0 0 "[ . 1 . 2]" 1
377 1 16 PRO HA 1 17 THR H 2.300 . 2.800 2.190 2.133 2.279 . 0 0 "[ . 1 . 2]" 1
378 1 16 PRO HA 1 18 VAL H 3.150 . 4.500 3.419 3.160 3.619 . 0 0 "[ . 1 . 2]" 1
379 1 16 PRO HB2 1 16 PRO HD3 3.150 . 4.500 3.963 3.888 4.022 . 0 0 "[ . 1 . 2]" 1
380 1 16 PRO HB2 1 17 THR H 3.650 . 5.500 4.006 3.773 4.157 . 0 0 "[ . 1 . 2]" 1
381 1 16 PRO HB3 1 16 PRO HD2 3.150 . 4.500 3.908 3.884 3.936 . 0 0 "[ . 1 . 2]" 1
382 1 16 PRO HB3 1 16 PRO QG 2.300 . 2.800 2.231 2.218 2.246 . 0 0 "[ . 1 . 2]" 1
383 1 16 PRO HB3 1 17 THR H 3.150 . 4.500 4.301 4.188 4.458 . 0 0 "[ . 1 . 2]" 1
384 1 16 PRO HD2 1 16 PRO HG2 2.650 . 3.500 2.285 2.260 2.318 . 0 0 "[ . 1 . 2]" 1
385 1 16 PRO HD2 1 16 PRO QG 2.650 . 2.800 2.176 2.162 2.194 . 0 0 "[ . 1 . 2]" 1
386 1 16 PRO HD3 1 16 PRO HG2 2.650 . 3.500 2.965 2.934 2.996 . 0 0 "[ . 1 . 2]" 1
387 1 16 PRO HD3 1 16 PRO QG 2.650 . 2.800 2.219 2.197 2.250 . 0 0 "[ . 1 . 2]" 1
388 1 16 PRO HD3 1 16 PRO HG3 2.650 . 3.500 2.050 2.032 2.070 . 0 0 "[ . 1 . 2]" 1
389 1 16 PRO HG2 1 17 THR H 3.650 . 5.500 4.321 4.174 4.415 . 0 0 "[ . 1 . 2]" 1
390 1 17 THR H 1 17 THR HB 3.150 . 4.500 3.521 3.435 3.595 . 0 0 "[ . 1 . 2]" 1
391 1 17 THR H 1 17 THR MG 2.650 . 3.500 2.598 2.439 2.997 . 0 0 "[ . 1 . 2]" 1
392 1 17 THR H 1 18 VAL H 2.650 . 3.500 2.353 2.179 2.463 . 0 0 "[ . 1 . 2]" 1
393 1 17 THR H 1 18 VAL HB 3.650 . 5.500 4.671 4.451 4.817 . 0 0 "[ . 1 . 2]" 1
394 1 17 THR H 1 18 VAL MG2 3.650 . 5.500 3.593 3.229 3.897 . 0 0 "[ . 1 . 2]" 1
395 1 17 THR HA 1 17 THR HB 2.300 . 2.800 2.552 2.510 2.656 . 0 0 "[ . 1 . 2]" 1
396 1 17 THR HA 1 17 THR MG 2.650 . 2.800 2.253 2.192 2.292 . 0 0 "[ . 1 . 2]" 1
397 1 17 THR HA 1 18 VAL H 3.650 . 5.500 3.398 3.245 3.472 . 0 0 "[ . 1 . 2]" 1
398 1 17 THR HA 1 25 CYS HB2 3.650 . 5.500 5.396 5.232 5.519 0.019 1 0 "[ . 1 . 2]" 1
399 1 17 THR HB 1 17 THR MG 2.300 . 2.800 2.149 2.142 2.155 . 0 0 "[ . 1 . 2]" 1
400 1 17 THR HB 1 18 VAL H 3.650 . 5.500 3.949 3.708 4.240 . 0 0 "[ . 1 . 2]" 1
401 1 18 VAL H 1 18 VAL HA 2.650 . 3.500 2.898 2.862 2.929 . 0 0 "[ . 1 . 2]" 1
402 1 18 VAL H 1 18 VAL HB 2.650 . 3.500 2.552 2.515 2.609 . 0 0 "[ . 1 . 2]" 1
403 1 18 VAL H 1 18 VAL MG2 2.650 . 3.500 2.313 2.151 2.526 . 0 0 "[ . 1 . 2]" 1
404 1 18 VAL HA 1 18 VAL QG 2.300 . 2.800 2.155 2.145 2.167 . 0 0 "[ . 1 . 2]" 1
405 1 18 VAL HA 1 19 CYS H 2.300 . 2.800 2.127 2.080 2.219 . 0 0 "[ . 1 . 2]" 1
406 1 18 VAL HA 1 19 CYS H 2.650 . 3.500 1.910 1.882 1.940 . 0 0 "[ . 1 . 2]" 1
407 1 18 VAL MG1 1 19 CYS H 2.650 . 3.500 2.814 2.426 3.103 . 0 0 "[ . 1 . 2]" 1
408 1 19 CYS H 1 19 CYS HA 2.650 . 3.500 2.858 2.826 2.894 . 0 0 "[ . 1 . 2]" 1
409 1 19 CYS H 1 19 CYS HB2 2.650 . 3.500 2.417 2.354 2.475 . 0 0 "[ . 1 . 2]" 1
410 1 19 CYS H 1 19 CYS HB3 3.150 . 4.500 3.579 3.550 3.606 . 0 0 "[ . 1 . 2]" 1
411 1 19 CYS H 1 20 ALA H 3.650 . 5.500 4.057 3.990 4.102 . 0 0 "[ . 1 . 2]" 1
412 1 19 CYS H 1 25 CYS HB2 3.650 . 5.500 4.005 3.677 4.472 . 0 0 "[ . 1 . 2]" 1
413 1 19 CYS HA 1 19 CYS HB2 2.650 . 3.500 3.014 3.003 3.026 . 0 0 "[ . 1 . 2]" 1
414 1 19 CYS HA 1 19 CYS HB3 2.650 . 3.500 2.475 2.439 2.521 . 0 0 "[ . 1 . 2]" 1
415 1 19 CYS HA 1 20 ALA H 2.300 . 2.800 2.403 2.184 2.644 . 0 0 "[ . 1 . 2]" 1
416 1 19 CYS HA 1 35 CYS HB2 3.150 . 4.500 4.024 3.900 4.132 . 0 0 "[ . 1 . 2]" 1
417 1 19 CYS HA 1 35 CYS HB3 3.150 . 4.500 3.695 3.542 3.808 . 0 0 "[ . 1 . 2]" 1
418 1 19 CYS HB2 1 20 ALA H 3.650 . 5.500 3.539 3.143 3.953 . 0 0 "[ . 1 . 2]" 1
419 1 19 CYS HB2 1 23 THR HB 3.650 . 5.500 4.355 3.803 4.684 . 0 0 "[ . 1 . 2]" 1
420 1 19 CYS HB2 1 24 THR HA 2.650 . 3.500 3.351 2.997 3.543 0.043 4 0 "[ . 1 . 2]" 1
421 1 19 CYS HB2 1 25 CYS HB2 3.650 . 5.500 4.146 3.754 4.572 . 0 0 "[ . 1 . 2]" 1
422 1 19 CYS HB2 1 35 CYS HA 3.650 . 5.500 4.390 3.964 4.549 . 0 0 "[ . 1 . 2]" 1
423 1 19 CYS HB2 1 35 CYS HB3 3.150 . 4.500 3.834 3.640 3.988 . 0 0 "[ . 1 . 2]" 1
424 1 19 CYS HB3 1 20 ALA H 3.150 . 4.500 2.327 1.945 2.855 . 0 0 "[ . 1 . 2]" 1
425 1 19 CYS HB3 1 23 THR MG 3.650 . 5.500 3.742 3.666 3.823 . 0 0 "[ . 1 . 2]" 1
426 1 19 CYS HB3 1 23 THR MG 3.650 . 4.500 3.999 3.897 4.100 . 0 0 "[ . 1 . 2]" 1
427 1 19 CYS HB3 1 35 CYS HA 3.650 . 5.500 3.886 3.703 3.998 . 0 0 "[ . 1 . 2]" 1
428 1 19 CYS HB3 1 35 CYS HB2 3.150 . 4.500 3.838 3.658 3.970 . 0 0 "[ . 1 . 2]" 1
429 1 19 CYS HB3 1 35 CYS HB3 2.650 . 3.500 2.350 2.225 2.483 . 0 0 "[ . 1 . 2]" 1
430 1 20 ALA H 1 20 ALA HA 2.650 . 3.500 2.822 2.745 2.883 . 0 0 "[ . 1 . 2]" 1
431 1 20 ALA H 1 20 ALA MB 2.650 . 3.500 2.213 2.182 2.267 . 0 0 "[ . 1 . 2]" 1
432 1 20 ALA H 1 35 CYS HB3 3.650 . 5.500 3.617 3.297 3.866 . 0 0 "[ . 1 . 2]" 1
433 1 20 ALA HA 1 20 ALA MB 2.300 . 2.800 2.135 2.119 2.147 . 0 0 "[ . 1 . 2]" 1
434 1 20 ALA HA 1 21 SER H 2.300 . 2.800 2.367 2.229 2.552 . 0 0 "[ . 1 . 2]" 1
435 1 20 ALA MB 1 21 SER H 2.650 . 3.500 2.456 2.090 2.851 . 0 0 "[ . 1 . 2]" 1
436 1 20 ALA MB 1 21 SER HA 3.150 . 4.500 4.363 4.244 4.494 . 0 0 "[ . 1 . 2]" 1
437 1 20 ALA MB 1 21 SER QB 3.150 . 4.500 4.035 3.734 4.397 . 0 0 "[ . 1 . 2]" 1
438 1 20 ALA MB 1 23 THR MG 3.150 . 4.500 2.875 2.319 3.333 . 0 0 "[ . 1 . 2]" 1
439 1 21 SER H 1 21 SER HA 2.650 . 3.500 2.772 2.675 2.818 . 0 0 "[ . 1 . 2]" 1
440 1 21 SER H 1 21 SER QB 2.300 . 2.800 2.486 2.262 2.704 . 0 0 "[ . 1 . 2]" 1
441 1 21 SER H 1 23 THR HB 3.650 . 5.500 5.000 4.942 5.041 . 0 0 "[ . 1 . 2]" 1
442 1 21 SER HA 1 21 SER QB 2.650 . 2.800 2.294 2.158 2.381 . 0 0 "[ . 1 . 2]" 1
443 1 21 SER HA 1 22 GLY H 2.300 . 2.800 2.142 2.111 2.171 . 0 0 "[ . 1 . 2]" 1
444 1 21 SER HA 1 23 THR H 3.150 . 4.500 3.487 3.364 3.673 . 0 0 "[ . 1 . 2]" 1
445 1 21 SER QB 1 22 GLY H 3.150 . 4.500 3.419 3.210 3.862 . 0 0 "[ . 1 . 2]" 1
446 1 22 GLY H 1 22 GLY HA2 2.650 . 3.500 2.389 2.319 2.426 . 0 0 "[ . 1 . 2]" 1
447 1 22 GLY H 1 22 GLY HA3 2.650 . 3.500 2.929 2.897 2.944 . 0 0 "[ . 1 . 2]" 1
448 1 22 GLY H 1 23 THR H 2.650 . 3.500 2.340 2.101 2.622 . 0 0 "[ . 1 . 2]" 1
449 1 22 GLY HA2 1 23 THR H 3.150 . 4.500 3.326 3.157 3.445 . 0 0 "[ . 1 . 2]" 1
450 1 22 GLY HA3 1 23 THR H 3.150 . 4.500 3.212 3.030 3.392 . 0 0 "[ . 1 . 2]" 1
451 1 22 GLY HA3 1 23 THR MG 3.650 . 4.500 3.587 3.481 3.767 . 0 0 "[ . 1 . 2]" 1
452 1 23 THR H 1 23 THR HB 3.650 . 5.500 3.796 3.744 3.871 . 0 0 "[ . 1 . 2]" 1
453 1 23 THR H 1 23 THR MG 3.150 . 4.500 2.805 2.471 3.028 . 0 0 "[ . 1 . 2]" 1
454 1 23 THR HA 1 23 THR HB 2.650 . 2.800 2.483 2.446 2.518 . 0 0 "[ . 1 . 2]" 1
455 1 23 THR HA 1 23 THR MG 2.650 . 2.800 2.382 2.328 2.436 . 0 0 "[ . 1 . 2]" 1
456 1 23 THR HA 1 24 THR H 2.650 . 3.500 2.263 2.173 2.371 . 0 0 "[ . 1 . 2]" 1
457 1 23 THR HA 1 36 LEU H 3.150 . 4.500 4.332 4.071 4.520 0.020 4 0 "[ . 1 . 2]" 1
458 1 23 THR HA 1 35 CYS HB3 3.650 . 5.500 4.860 4.567 5.053 . 0 0 "[ . 1 . 2]" 1
459 1 23 THR HB 1 24 THR H 2.650 . 3.500 2.863 2.665 3.055 . 0 0 "[ . 1 . 2]" 1
460 1 23 THR HB 1 35 CYS HA 3.150 . 4.500 3.624 3.413 3.808 . 0 0 "[ . 1 . 2]" 1
461 1 23 THR HB 1 35 CYS HB3 2.650 . 3.500 2.461 2.227 2.692 . 0 0 "[ . 1 . 2]" 1
462 1 23 THR MG 1 24 THR H 3.150 . 4.500 3.846 3.714 3.971 . 0 0 "[ . 1 . 2]" 1
463 1 23 THR MG 1 35 CYS HA 3.650 . 5.500 4.933 4.715 5.076 . 0 0 "[ . 1 . 2]" 1
464 1 23 THR MG 1 35 CYS HB3 3.150 . 3.500 3.449 3.302 3.546 0.046 16 0 "[ . 1 . 2]" 1
465 1 23 THR MG 1 36 LEU H 3.650 . 5.500 4.559 4.287 4.768 . 0 0 "[ . 1 . 2]" 1
466 1 23 THR MG 1 36 LEU HA 3.650 . 4.500 3.515 3.134 3.977 . 0 0 "[ . 1 . 2]" 1
467 1 24 THR H 1 24 THR HA 2.650 . 3.500 2.926 2.916 2.934 . 0 0 "[ . 1 . 2]" 1
468 1 24 THR H 1 24 THR HB 3.150 . 4.500 3.699 3.655 3.737 . 0 0 "[ . 1 . 2]" 1
469 1 24 THR H 1 24 THR MG 3.150 . 4.500 2.963 2.827 3.088 . 0 0 "[ . 1 . 2]" 1
470 1 24 THR H 1 25 CYS H 3.650 . 5.500 4.446 4.380 4.498 . 0 0 "[ . 1 . 2]" 1
471 1 24 THR H 1 25 CYS HA 3.650 . 5.500 4.962 4.836 5.037 . 0 0 "[ . 1 . 2]" 1
472 1 24 THR H 1 35 CYS HA 3.650 . 5.500 4.088 3.869 4.212 . 0 0 "[ . 1 . 2]" 1
473 1 24 THR H 1 36 LEU H 2.650 . 3.500 2.908 2.744 3.010 . 0 0 "[ . 1 . 2]" 1
474 1 24 THR H 1 36 LEU QB 3.650 . 5.500 3.964 3.682 4.130 . 0 0 "[ . 1 . 2]" 1
475 1 24 THR HA 1 24 THR HB 2.300 . 2.800 2.537 2.500 2.570 . 0 0 "[ . 1 . 2]" 1
476 1 24 THR HA 1 24 THR MG 2.650 . 3.500 2.297 2.259 2.329 . 0 0 "[ . 1 . 2]" 1
477 1 24 THR HA 1 25 CYS H 2.300 . 2.800 2.269 2.166 2.352 . 0 0 "[ . 1 . 2]" 1
478 1 24 THR HA 1 26 GLN H 3.650 . 5.500 5.013 4.914 5.237 . 0 0 "[ . 1 . 2]" 1
479 1 24 THR HA 1 26 GLN HB2 4.150 . 6.500 5.546 5.349 5.754 . 0 0 "[ . 1 . 2]" 1
480 1 24 THR HA 1 35 CYS HA 3.650 . 5.500 3.991 3.953 4.022 . 0 0 "[ . 1 . 2]" 1
481 1 24 THR HB 1 26 GLN HE21 3.650 . 5.500 4.351 3.571 4.742 . 0 0 "[ . 1 . 2]" 1
482 1 24 THR MG 1 25 CYS H 3.150 . 4.500 3.660 3.478 3.791 . 0 0 "[ . 1 . 2]" 1
483 1 24 THR MG 1 26 GLN HE21 3.650 . 5.500 4.396 3.935 4.937 . 0 0 "[ . 1 . 2]" 1
484 1 25 CYS H 1 25 CYS HB2 2.650 . 3.500 2.679 2.611 2.737 . 0 0 "[ . 1 . 2]" 1
485 1 25 CYS HA 1 25 CYS HB2 2.650 . 3.500 2.475 2.453 2.500 . 0 0 "[ . 1 . 2]" 1
486 1 25 CYS HA 1 25 CYS HB3 2.650 . 3.500 3.039 3.025 3.049 . 0 0 "[ . 1 . 2]" 1
487 1 25 CYS HA 1 25 CYS HB3 2.650 . 3.500 2.991 2.967 3.004 . 0 0 "[ . 1 . 2]" 1
488 1 25 CYS HA 1 26 GLN H 2.300 . 2.800 2.168 2.125 2.221 . 0 0 "[ . 1 . 2]" 1
489 1 25 CYS HA 1 26 GLN HB2 2.650 . 3.500 2.983 2.957 2.993 . 0 0 "[ . 1 . 2]" 1
490 1 25 CYS HA 1 36 LEU QB 3.650 . 5.500 4.502 4.435 4.624 . 0 0 "[ . 1 . 2]" 1
491 1 25 CYS HA 1 35 CYS H 3.150 . 4.500 4.297 4.158 4.447 . 0 0 "[ . 1 . 2]" 1
492 1 25 CYS HA 1 35 CYS HA 2.650 . 3.500 2.404 2.318 2.521 . 0 0 "[ . 1 . 2]" 1
493 1 25 CYS HA 1 36 LEU H 2.650 . 3.500 3.498 3.363 3.519 0.019 19 0 "[ . 1 . 2]" 1
494 1 25 CYS HB2 1 26 GLN H 3.650 . 5.500 4.474 4.377 4.536 . 0 0 "[ . 1 . 2]" 1
495 1 25 CYS HB2 1 26 GLN H 3.650 . 5.500 4.315 4.223 4.364 . 0 0 "[ . 1 . 2]" 1
496 1 25 CYS HB2 1 35 CYS HA 3.650 . 5.500 4.258 4.106 4.396 . 0 0 "[ . 1 . 2]" 1
497 1 25 CYS HB3 1 34 GLN H 3.650 . 4.500 4.204 4.178 4.239 . 0 0 "[ . 1 . 2]" 1
498 1 25 CYS HB3 1 26 GLN H 3.650 . 5.500 4.431 4.341 4.475 . 0 0 "[ . 1 . 2]" 1
499 1 25 CYS HB3 1 26 GLN H 3.650 . 5.500 4.349 4.276 4.385 . 0 0 "[ . 1 . 2]" 1
500 1 25 CYS HB3 1 26 GLN H 3.150 . 4.500 3.873 3.828 3.897 . 0 0 "[ . 1 . 2]" 1
501 1 26 GLN H 1 26 GLN HB2 2.650 . 3.500 2.531 2.422 2.623 . 0 0 "[ . 1 . 2]" 1
502 1 26 GLN H 1 26 GLN HB3 3.150 . 4.500 3.677 3.605 3.730 . 0 0 "[ . 1 . 2]" 1
503 1 26 GLN H 1 26 GLN HB3 3.150 . 4.500 3.503 3.398 3.571 . 0 0 "[ . 1 . 2]" 1
504 1 26 GLN H 1 26 GLN HG2 3.650 . 4.500 3.634 2.598 4.182 . 0 0 "[ . 1 . 2]" 1
505 1 26 GLN H 1 26 GLN HG2 3.150 . 4.500 3.517 2.442 4.062 . 0 0 "[ . 1 . 2]" 1
506 1 26 GLN H 1 26 GLN HG3 3.150 . 4.500 2.750 2.521 3.827 . 0 0 "[ . 1 . 2]" 1
507 1 26 GLN H 1 26 GLN HG3 3.150 . 4.500 2.572 2.345 3.448 . 0 0 "[ . 1 . 2]" 1
508 1 26 GLN H 1 27 VAL H 3.650 . 5.500 4.393 4.280 4.452 . 0 0 "[ . 1 . 2]" 1
509 1 26 GLN H 1 27 VAL H 3.150 . 4.500 3.317 3.158 3.612 . 0 0 "[ . 1 . 2]" 1
510 1 26 GLN H 1 36 LEU MD1 3.150 . 4.500 3.342 3.197 3.482 . 0 0 "[ . 1 . 2]" 1
511 1 26 GLN H 1 28 LEU MD2 3.150 . 4.500 4.050 3.834 4.356 . 0 0 "[ . 1 . 2]" 1
512 1 26 GLN H 1 33 SER HB3 3.650 . 5.500 4.292 4.133 4.529 . 0 0 "[ . 1 . 2]" 1
513 1 26 GLN H 1 35 CYS H 3.650 . 5.500 3.677 3.644 3.695 . 0 0 "[ . 1 . 2]" 1
514 1 26 GLN H 1 35 CYS HA 3.150 . 4.500 3.213 3.075 3.314 . 0 0 "[ . 1 . 2]" 1
515 1 26 GLN H 1 35 CYS HB2 3.650 . 5.500 4.250 4.220 4.280 . 0 0 "[ . 1 . 2]" 1
516 1 26 GLN H 1 36 LEU HG 3.150 . 4.500 3.081 2.859 3.210 . 0 0 "[ . 1 . 2]" 1
517 1 26 GLN H 1 36 LEU HB2 3.650 . 5.500 4.072 3.904 4.437 . 0 0 "[ . 1 . 2]" 1
518 1 26 GLN HA 1 26 GLN HB2 2.650 . 3.500 3.019 3.002 3.028 . 0 0 "[ . 1 . 2]" 1
519 1 26 GLN HA 1 26 GLN HB3 . . 2.800 2.465 2.420 2.564 . 0 0 "[ . 1 . 2]" 1
520 1 26 GLN HA 1 26 GLN HG2 2.650 . 3.500 2.526 2.448 3.038 . 0 0 "[ . 1 . 2]" 1
521 1 26 GLN HA 1 26 GLN HG3 3.150 . 4.500 3.199 2.834 3.785 . 0 0 "[ . 1 . 2]" 1
522 1 26 GLN HA 1 27 VAL H 2.300 . 2.800 2.101 2.022 2.163 . 0 0 "[ . 1 . 2]" 1
523 1 26 GLN HA 1 27 VAL MG2 3.650 . 5.500 3.425 3.319 3.605 . 0 0 "[ . 1 . 2]" 1
524 1 26 GLN HA 1 27 VAL MG2 3.150 . 3.500 3.360 3.272 3.506 0.006 7 0 "[ . 1 . 2]" 1
525 1 26 GLN HB2 1 28 LEU MD2 2.300 . 2.800 1.972 1.896 2.057 . 0 0 "[ . 1 . 2]" 1
526 1 26 GLN HB2 1 26 GLN HE21 3.650 . 5.500 3.536 2.990 4.102 . 0 0 "[ . 1 . 2]" 1
527 1 26 GLN HB2 1 26 GLN HG2 2.650 . 3.500 2.983 2.491 3.018 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLN HB2 1 26 GLN HG2 2.300 . 2.800 2.249 2.141 2.268 . 0 0 "[ . 1 . 2]" 1
529 1 26 GLN HB2 1 28 LEU MD2 2.300 . 2.800 2.073 2.006 2.102 . 0 0 "[ . 1 . 2]" 1
530 1 26 GLN HB2 1 36 LEU MD1 2.300 . 2.800 2.021 1.950 2.092 . 0 0 "[ . 1 . 2]" 1
531 1 26 GLN HB2 1 34 GLN H 2.650 . 3.500 2.584 2.517 2.643 . 0 0 "[ . 1 . 2]" 1
532 1 26 GLN HB3 1 28 LEU MD2 2.650 . 3.500 2.819 2.531 2.997 . 0 0 "[ . 1 . 2]" 1
533 1 26 GLN HB3 1 26 GLN HE21 3.650 . 5.500 3.689 3.429 3.979 . 0 0 "[ . 1 . 2]" 1
534 1 26 GLN HB3 1 26 GLN HG2 2.300 . 2.800 2.290 2.245 2.485 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLN HB3 1 26 GLN HG3 2.650 . 3.500 2.980 2.476 3.012 . 0 0 "[ . 1 . 2]" 1
536 1 26 GLN HB3 1 27 VAL H 3.150 . 4.500 3.033 2.861 3.241 . 0 0 "[ . 1 . 2]" 1
537 1 26 GLN HB3 1 28 LEU MD2 2.650 . 3.500 2.979 2.595 3.249 . 0 0 "[ . 1 . 2]" 1
538 1 26 GLN HB3 1 34 GLN H 3.150 . 4.500 3.756 3.527 3.848 . 0 0 "[ . 1 . 2]" 1
539 1 26 GLN HE21 1 26 GLN HG3 3.150 . 4.500 2.244 2.189 2.829 . 0 0 "[ . 1 . 2]" 1
540 1 26 GLN HE21 1 28 LEU MD2 3.650 . 4.500 3.812 3.509 4.512 0.012 18 0 "[ . 1 . 2]" 1
541 1 26 GLN HE21 1 36 LEU HB2 3.650 . 5.500 2.479 1.929 3.665 . 0 0 "[ . 1 . 2]" 1
542 1 26 GLN HE22 1 26 GLN HG2 3.650 . 5.500 3.595 3.368 3.723 . 0 0 "[ . 1 . 2]" 1
543 1 26 GLN HE22 1 26 GLN HG3 3.650 . 5.500 3.482 3.450 3.752 . 0 0 "[ . 1 . 2]" 1
544 1 26 GLN HE22 1 36 LEU HB2 3.650 . 5.500 3.022 2.525 5.052 . 0 0 "[ . 1 . 2]" 1
545 1 26 GLN HE22 1 36 LEU QB 3.650 . 5.500 2.771 2.382 4.800 . 0 0 "[ . 1 . 2]" 1
546 1 26 GLN HG2 1 27 VAL H 3.150 . 4.500 3.653 3.463 3.890 . 0 0 "[ . 1 . 2]" 1
547 1 26 GLN HG2 1 36 LEU H 3.650 . 5.500 4.703 2.967 5.508 0.008 16 0 "[ . 1 . 2]" 1
548 1 26 GLN HG3 1 27 VAL H 3.650 . 5.500 5.084 4.738 5.448 . 0 0 "[ . 1 . 2]" 1
549 1 26 GLN HG3 1 36 LEU H 3.150 . 4.500 3.112 2.790 3.917 . 0 0 "[ . 1 . 2]" 1
550 1 26 GLN HG3 1 36 LEU HB2 3.650 . 4.500 2.601 2.089 3.639 . 0 0 "[ . 1 . 2]" 1
551 1 26 GLN HG3 1 36 LEU QB 3.150 . 4.500 2.577 2.071 3.570 . 0 0 "[ . 1 . 2]" 1
552 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.250 2.194 2.318 . 0 0 "[ . 1 . 2]" 1
553 1 27 VAL H 1 27 VAL HB 2.300 . 2.800 2.072 1.961 2.176 . 0 0 "[ . 1 . 2]" 1
554 1 27 VAL H 1 27 VAL MG1 2.650 . 3.500 3.112 2.890 3.211 . 0 0 "[ . 1 . 2]" 1
555 1 27 VAL H 1 27 VAL MG2 2.300 . 2.800 2.208 2.105 2.298 . 0 0 "[ . 1 . 2]" 1
556 1 27 VAL H 1 28 LEU MD2 3.650 . 5.500 3.227 2.954 3.588 . 0 0 "[ . 1 . 2]" 1
557 1 27 VAL H 1 33 SER HB3 3.150 . 4.500 3.816 3.631 4.030 . 0 0 "[ . 1 . 2]" 1
558 1 27 VAL HA 1 27 VAL MG1 2.650 . 3.500 2.407 2.372 2.440 . 0 0 "[ . 1 . 2]" 1
559 1 27 VAL HA 1 27 VAL MG2 2.650 . 2.800 2.438 2.385 2.490 . 0 0 "[ . 1 . 2]" 1
560 1 27 VAL HA 1 28 LEU H 2.300 . 2.800 2.165 2.114 2.205 . 0 0 "[ . 1 . 2]" 1
561 1 27 VAL HA 1 33 SER HA . . 3.500 2.396 2.208 2.657 . 0 0 "[ . 1 . 2]" 1
562 1 27 VAL HA 1 33 SER HB3 2.650 . 3.500 2.811 2.610 3.093 . 0 0 "[ . 1 . 2]" 1
563 1 27 VAL HA 1 34 GLN H 3.150 . 4.500 3.705 3.479 3.925 . 0 0 "[ . 1 . 2]" 1
564 1 27 VAL HB 1 27 VAL MG1 2.300 . 2.800 2.126 2.118 2.133 . 0 0 "[ . 1 . 2]" 1
565 1 27 VAL HB 1 33 SER HB2 3.650 . 5.500 4.763 4.589 4.912 . 0 0 "[ . 1 . 2]" 1
566 1 27 VAL HB 1 33 SER HB2 3.650 . 5.500 4.631 4.489 4.763 . 0 0 "[ . 1 . 2]" 1
567 1 27 VAL MG1 1 28 LEU H 3.150 . 4.500 3.317 2.999 3.480 . 0 0 "[ . 1 . 2]" 1
568 1 27 VAL MG1 1 28 LEU H 2.650 . 3.500 2.901 2.728 3.050 . 0 0 "[ . 1 . 2]" 1
569 1 27 VAL MG1 1 28 LEU HA 3.650 . 5.500 4.204 3.936 4.406 . 0 0 "[ . 1 . 2]" 1
570 1 27 VAL MG1 1 29 ASN H 2.650 . 3.500 3.211 3.014 3.469 . 0 0 "[ . 1 . 2]" 1
571 1 27 VAL MG1 1 29 ASN HA 3.150 . 4.500 3.835 3.689 3.947 . 0 0 "[ . 1 . 2]" 1
572 1 27 VAL MG1 1 29 ASN QB 3.650 . 5.500 4.483 4.406 4.591 . 0 0 "[ . 1 . 2]" 1
573 1 27 VAL MG1 1 30 PRO HA 3.650 . 4.500 2.972 2.628 3.351 . 0 0 "[ . 1 . 2]" 1
574 1 27 VAL MG1 1 33 SER HA 3.150 . 4.500 3.893 3.615 4.097 . 0 0 "[ . 1 . 2]" 1
575 1 27 VAL MG2 1 29 ASN H 3.150 . 4.500 4.249 4.184 4.320 . 0 0 "[ . 1 . 2]" 1
576 1 27 VAL MG2 1 33 SER HA 3.150 . 4.500 3.823 3.600 4.059 . 0 0 "[ . 1 . 2]" 1
577 1 27 VAL MG2 1 33 SER HB3 3.650 . 5.500 3.055 2.659 3.422 . 0 0 "[ . 1 . 2]" 1
578 1 28 LEU H 1 28 LEU HA 2.650 . 3.500 2.894 2.852 2.938 . 0 0 "[ . 1 . 2]" 1
579 1 28 LEU H 1 28 LEU MD1 3.650 . 5.500 3.760 3.588 3.930 . 0 0 "[ . 1 . 2]" 1
580 1 28 LEU H 1 28 LEU HG 2.650 . 3.500 2.438 2.311 2.812 . 0 0 "[ . 1 . 2]" 1
581 1 28 LEU H 1 32 TYR QD 3.650 . 5.500 3.457 3.292 3.619 . 0 0 "[ . 1 . 2]" 1
582 1 28 LEU H 1 29 ASN HA 3.650 . 5.500 4.183 4.041 4.308 . 0 0 "[ . 1 . 2]" 1
583 1 28 LEU H 1 33 SER HA 2.650 . 2.800 2.192 2.102 2.311 . 0 0 "[ . 1 . 2]" 1
584 1 28 LEU H 1 34 GLN H 3.150 . 4.500 3.436 3.239 3.820 . 0 0 "[ . 1 . 2]" 1
585 1 28 LEU HA 1 28 LEU HB3 2.650 . 2.800 2.448 2.413 2.492 . 0 0 "[ . 1 . 2]" 1
586 1 28 LEU HA 1 28 LEU MD1 3.650 . 4.500 3.868 3.840 3.898 . 0 0 "[ . 1 . 2]" 1
587 1 28 LEU HA 1 28 LEU MD2 2.650 . 3.500 2.153 2.061 2.227 . 0 0 "[ . 1 . 2]" 1
588 1 28 LEU HA 1 29 ASN H 3.150 . 4.500 3.497 3.464 3.520 . 0 0 "[ . 1 . 2]" 1
589 1 28 LEU HB2 1 28 LEU MD1 2.650 . 3.500 2.341 2.301 2.401 . 0 0 "[ . 1 . 2]" 1
590 1 28 LEU HB2 1 28 LEU MD1 2.650 . 3.500 2.076 1.952 2.220 . 0 0 "[ . 1 . 2]" 1
591 1 28 LEU HB2 1 29 ASN H 2.650 . 3.500 2.439 2.153 2.657 . 0 0 "[ . 1 . 2]" 1
592 1 28 LEU HB2 1 29 ASN HA 3.650 . 5.500 4.599 4.437 4.733 . 0 0 "[ . 1 . 2]" 1
593 1 28 LEU HB2 1 29 ASN HA 3.150 . 4.500 3.937 3.869 4.046 . 0 0 "[ . 1 . 2]" 1
594 1 28 LEU HB2 1 29 ASN QB 3.650 . 5.500 3.826 3.619 3.972 . 0 0 "[ . 1 . 2]" 1
595 1 28 LEU HB2 1 29 ASN QB 3.650 . 5.500 3.649 3.480 3.760 . 0 0 "[ . 1 . 2]" 1
596 1 28 LEU HB2 1 29 ASN HD21 3.650 . 5.500 3.607 2.386 4.713 . 0 0 "[ . 1 . 2]" 1
597 1 28 LEU HB2 1 29 ASN HD22 3.650 . 5.500 4.050 3.223 4.731 . 0 0 "[ . 1 . 2]" 1
598 1 28 LEU HB2 1 32 TYR HB3 3.650 . 4.500 3.328 3.045 3.554 . 0 0 "[ . 1 . 2]" 1
599 1 28 LEU HB2 1 32 TYR QD 2.650 . 3.500 2.252 2.088 2.465 . 0 0 "[ . 1 . 2]" 1
600 1 28 LEU HB2 1 32 TYR QE 3.150 . 3.500 3.297 3.127 3.439 . 0 0 "[ . 1 . 2]" 1
601 1 28 LEU HB2 1 33 SER HA 3.150 . 4.500 3.749 3.377 3.999 . 0 0 "[ . 1 . 2]" 1
602 1 28 LEU HB2 1 33 SER HA 3.150 . 4.500 3.541 3.252 3.716 . 0 0 "[ . 1 . 2]" 1
603 1 28 LEU HB3 1 29 ASN H 3.150 . 4.500 3.370 3.183 3.505 . 0 0 "[ . 1 . 2]" 1
604 1 28 LEU HB3 1 32 TYR QD 2.650 . 3.500 3.114 2.916 3.273 . 0 0 "[ . 1 . 2]" 1
605 1 28 LEU HB3 1 32 TYR QE 3.650 . 4.500 3.779 3.582 3.984 . 0 0 "[ . 1 . 2]" 1
606 1 28 LEU HB3 1 29 ASN QB 3.650 . 5.500 4.704 4.495 4.832 . 0 0 "[ . 1 . 2]" 1
607 1 28 LEU HB3 1 29 ASN HD21 3.650 . 5.500 4.316 3.140 5.330 . 0 0 "[ . 1 . 2]" 1
608 1 28 LEU HB3 1 29 ASN HD22 3.650 . 5.500 4.049 3.132 4.783 . 0 0 "[ . 1 . 2]" 1
609 1 28 LEU MD1 1 29 ASN HD22 3.650 . 5.500 4.483 3.733 5.166 . 0 0 "[ . 1 . 2]" 1
610 1 28 LEU MD1 1 32 TYR QD 2.650 . 3.500 2.178 1.965 2.596 . 0 0 "[ . 1 . 2]" 1
611 1 28 LEU MD1 1 32 TYR QE 3.150 . 3.500 1.947 1.877 2.058 . 0 0 "[ . 1 . 2]" 1
612 1 28 LEU MD1 1 34 GLN H 3.150 . 4.500 3.427 3.224 3.605 . 0 0 "[ . 1 . 2]" 1
613 1 28 LEU MD1 1 34 GLN HB2 3.150 . 3.500 2.627 2.273 3.014 . 0 0 "[ . 1 . 2]" 1
614 1 28 LEU MD1 1 34 GLN HB2 2.300 . 2.800 2.139 2.020 2.225 . 0 0 "[ . 1 . 2]" 1
615 1 28 LEU MD2 1 29 ASN HD22 4.150 . 6.500 5.766 4.875 6.480 . 0 0 "[ . 1 . 2]" 1
616 1 28 LEU MD2 1 32 TYR QD 3.150 . 4.500 4.465 4.322 4.523 0.023 12 0 "[ . 1 . 2]" 1
617 1 28 LEU MD2 1 32 TYR QE 3.650 . 4.500 4.531 4.508 4.554 0.054 17 0 "[ . 1 . 2]" 1
618 1 28 LEU MD2 1 34 GLN H 3.150 . 4.500 3.485 3.339 3.589 . 0 0 "[ . 1 . 2]" 1
619 1 28 LEU HG 1 33 SER HA 3.150 . 4.500 3.288 3.026 3.495 . 0 0 "[ . 1 . 2]" 1
620 1 28 LEU HG 1 34 GLN H 3.650 . 5.500 2.941 2.693 3.129 . 0 0 "[ . 1 . 2]" 1
621 1 29 ASN H 1 29 ASN QB 3.150 . 4.500 2.656 2.518 2.769 . 0 0 "[ . 1 . 2]" 1
622 1 29 ASN H 1 29 ASN QB 3.150 . 4.500 2.432 2.326 2.501 . 0 0 "[ . 1 . 2]" 1
623 1 29 ASN H 1 30 PRO HD3 3.650 . 5.500 4.772 4.734 4.840 . 0 0 "[ . 1 . 2]" 1
624 1 29 ASN H 1 32 TYR HB3 3.650 . 5.500 3.221 2.885 3.405 . 0 0 "[ . 1 . 2]" 1
625 1 29 ASN H 1 33 SER HA 3.150 . 4.500 3.531 3.268 3.733 . 0 0 "[ . 1 . 2]" 1
626 1 29 ASN HA 1 29 ASN QB 2.300 . 2.800 2.367 2.327 2.402 . 0 0 "[ . 1 . 2]" 1
627 1 29 ASN HA 1 30 PRO HD2 3.150 . 3.500 3.168 3.094 3.275 . 0 0 "[ . 1 . 2]" 1
628 1 29 ASN HA 1 30 PRO HD3 2.650 . 2.800 2.219 2.148 2.295 . 0 0 "[ . 1 . 2]" 1
629 1 29 ASN HA 1 30 PRO HG2 3.650 . 5.500 4.824 4.762 4.882 . 0 0 "[ . 1 . 2]" 1
630 1 29 ASN HA 1 30 PRO HG3 3.650 . 5.500 4.281 4.213 4.399 . 0 0 "[ . 1 . 2]" 1
631 1 29 ASN HA 1 32 TYR HB3 3.650 . 5.500 4.813 4.517 4.992 . 0 0 "[ . 1 . 2]" 1
632 1 29 ASN QB 1 29 ASN HD21 2.650 . 3.500 2.176 2.103 2.223 . 0 0 "[ . 1 . 2]" 1
633 1 29 ASN QB 1 29 ASN HD22 3.150 . 4.500 3.235 3.184 3.285 . 0 0 "[ . 1 . 2]" 1
634 1 29 ASN QB 1 29 ASN HD22 2.650 . 3.500 3.092 2.956 3.173 . 0 0 "[ . 1 . 2]" 1
635 1 29 ASN QB 1 30 PRO HD2 2.300 . 2.800 2.127 2.036 2.226 . 0 0 "[ . 1 . 2]" 1
636 1 29 ASN QB 1 30 PRO HD3 2.300 . 2.800 2.786 2.682 2.814 0.014 8 0 "[ . 1 . 2]" 1
637 1 29 ASN QB 1 30 PRO HG2 3.650 . 5.500 4.314 4.214 4.399 . 0 0 "[ . 1 . 2]" 1
638 1 29 ASN QB 1 31 TYR H 3.150 . 4.500 2.834 2.571 3.020 . 0 0 "[ . 1 . 2]" 1
639 1 29 ASN HD21 1 32 TYR HB2 3.650 . 4.500 3.086 2.723 3.470 . 0 0 "[ . 1 . 2]" 1
640 1 29 ASN HD21 1 32 TYR HB3 3.650 . 5.500 2.103 1.782 2.531 0.018 17 0 "[ . 1 . 2]" 1
641 1 29 ASN HD22 1 32 TYR HB2 3.150 . 4.500 4.485 4.171 4.556 0.056 17 0 "[ . 1 . 2]" 1
642 1 29 ASN HD22 1 32 TYR HB3 3.150 . 4.500 3.510 3.330 3.724 . 0 0 "[ . 1 . 2]" 1
643 1 30 PRO HA 1 30 PRO HB3 2.650 . 2.800 2.310 2.287 2.326 . 0 0 "[ . 1 . 2]" 1
644 1 30 PRO HA 1 30 PRO HD3 3.150 . 4.500 3.715 3.625 3.777 . 0 0 "[ . 1 . 2]" 1
645 1 30 PRO HA 1 30 PRO HG2 3.650 . 4.500 3.920 3.877 3.993 . 0 0 "[ . 1 . 2]" 1
646 1 30 PRO HA 1 32 TYR H 3.650 . 5.500 4.631 4.476 4.748 . 0 0 "[ . 1 . 2]" 1
647 1 30 PRO HB2 1 30 PRO HD2 3.150 . 4.500 2.890 2.791 3.009 . 0 0 "[ . 1 . 2]" 1
648 1 30 PRO HB2 1 30 PRO HD3 3.650 . 5.500 3.856 3.818 3.913 . 0 0 "[ . 1 . 2]" 1
649 1 30 PRO HB2 1 31 TYR H 3.150 . 4.500 2.598 2.476 2.792 . 0 0 "[ . 1 . 2]" 1
650 1 30 PRO HB3 1 30 PRO HD3 3.650 . 5.500 4.076 4.020 4.108 . 0 0 "[ . 1 . 2]" 1
651 1 30 PRO HB3 1 30 PRO HG2 2.300 . 2.800 2.647 2.623 2.689 . 0 0 "[ . 1 . 2]" 1
652 1 30 PRO HB3 1 31 TYR QD 3.650 . 5.500 4.483 3.885 4.910 . 0 0 "[ . 1 . 2]" 1
653 1 30 PRO HD2 1 30 PRO HG2 2.650 . 3.500 2.312 2.280 2.333 . 0 0 "[ . 1 . 2]" 1
654 1 30 PRO HD2 1 30 PRO HG3 2.650 . 3.500 2.987 2.967 2.996 . 0 0 "[ . 1 . 2]" 1
655 1 30 PRO HD2 1 31 TYR H 3.150 . 4.500 2.745 2.497 2.972 . 0 0 "[ . 1 . 2]" 1
656 1 30 PRO HD2 1 31 TYR QD 3.150 . 4.500 3.362 2.884 3.885 . 0 0 "[ . 1 . 2]" 1
657 1 30 PRO HD3 1 30 PRO HG2 2.650 . 3.500 2.688 2.671 2.711 . 0 0 "[ . 1 . 2]" 1
658 1 30 PRO HD3 1 30 PRO HG3 2.650 . 3.500 2.330 2.301 2.354 . 0 0 "[ . 1 . 2]" 1
659 1 30 PRO HD3 1 31 TYR H 3.150 . 4.500 4.035 3.900 4.216 . 0 0 "[ . 1 . 2]" 1
660 1 30 PRO HD3 1 31 TYR QD 3.650 . 5.500 5.039 4.600 5.503 0.003 20 0 "[ . 1 . 2]" 1
661 1 30 PRO HG2 1 31 TYR QE 3.650 . 5.500 3.919 3.410 4.343 . 0 0 "[ . 1 . 2]" 1
662 1 31 TYR H 1 31 TYR HB2 2.650 . 3.500 2.561 2.461 2.637 . 0 0 "[ . 1 . 2]" 1
663 1 31 TYR H 1 31 TYR HB3 3.150 . 4.500 3.675 3.652 3.712 . 0 0 "[ . 1 . 2]" 1
664 1 31 TYR H 1 31 TYR QD 2.650 . 3.500 2.461 2.163 2.797 . 0 0 "[ . 1 . 2]" 1
665 1 31 TYR H 1 32 TYR H 2.300 . 2.800 2.171 2.060 2.290 . 0 0 "[ . 1 . 2]" 1
666 1 31 TYR H 1 32 TYR HB3 3.650 . 5.500 4.648 4.376 4.834 . 0 0 "[ . 1 . 2]" 1
667 1 31 TYR HA 1 31 TYR HB2 2.650 . 3.500 3.029 3.012 3.042 . 0 0 "[ . 1 . 2]" 1
668 1 31 TYR HA 1 31 TYR HB3 2.650 . 3.500 2.440 2.388 2.495 . 0 0 "[ . 1 . 2]" 1
669 1 31 TYR HA 1 31 TYR QD 2.650 . 3.500 2.959 2.684 3.221 . 0 0 "[ . 1 . 2]" 1
670 1 31 TYR HA 1 31 TYR QE 3.650 . 5.500 4.722 4.618 4.800 . 0 0 "[ . 1 . 2]" 1
671 1 31 TYR HA 1 32 TYR H 3.150 . 4.500 3.476 3.415 3.513 . 0 0 "[ . 1 . 2]" 1
672 1 31 TYR HB2 1 31 TYR QD 2.300 . 2.800 2.418 2.300 2.605 . 0 0 "[ . 1 . 2]" 1
673 1 31 TYR HB2 1 32 TYR H 2.650 . 3.500 3.022 2.910 3.206 . 0 0 "[ . 1 . 2]" 1
674 1 31 TYR HB3 1 31 TYR QD 2.650 . 3.500 2.401 2.286 2.506 . 0 0 "[ . 1 . 2]" 1
675 1 31 TYR HB3 1 32 TYR H 3.650 . 5.500 4.017 3.907 4.142 . 0 0 "[ . 1 . 2]" 1
676 1 32 TYR H 1 32 TYR HB2 2.650 . 3.500 2.859 2.765 2.939 . 0 0 "[ . 1 . 2]" 1
677 1 32 TYR H 1 32 TYR HB3 3.150 . 4.500 2.678 2.594 2.777 . 0 0 "[ . 1 . 2]" 1
678 1 32 TYR H 1 33 SER H 3.150 . 4.500 4.247 4.221 4.276 . 0 0 "[ . 1 . 2]" 1
679 1 32 TYR HA 1 32 TYR QD 2.650 . 3.500 2.630 2.350 2.830 . 0 0 "[ . 1 . 2]" 1
680 1 32 TYR HA 1 33 SER H 2.300 . 2.800 2.080 2.037 2.138 . 0 0 "[ . 1 . 2]" 1
681 1 32 TYR HB2 1 32 TYR QD 2.300 . 2.800 2.515 2.404 2.651 . 0 0 "[ . 1 . 2]" 1
682 1 32 TYR HB3 1 32 TYR QD 2.650 . 3.500 2.326 2.275 2.387 . 0 0 "[ . 1 . 2]" 1
683 1 32 TYR HB3 1 33 SER H 3.650 . 5.500 4.235 4.160 4.304 . 0 0 "[ . 1 . 2]" 1
684 1 32 TYR QD 1 34 GLN HB2 3.150 . 4.500 3.729 3.368 4.352 . 0 0 "[ . 1 . 2]" 1
685 1 32 TYR QE 1 34 GLN HA 3.650 . 5.500 4.459 4.092 5.059 . 0 0 "[ . 1 . 2]" 1
686 1 32 TYR QE 1 34 GLN HB2 2.650 . 3.500 2.467 2.010 3.501 0.001 20 0 "[ . 1 . 2]" 1
687 1 32 TYR QE 1 34 GLN HE21 3.150 . 4.500 3.059 2.347 4.558 0.058 20 0 "[ . 1 . 2]" 1
688 1 32 TYR QE 1 34 GLN HG3 4.150 . 6.500 4.050 3.597 5.019 . 0 0 "[ . 1 . 2]" 1
689 1 33 SER H 1 33 SER HB2 2.650 . 3.500 2.602 2.516 2.683 . 0 0 "[ . 1 . 2]" 1
690 1 33 SER HA 1 34 GLN H 2.300 . 2.800 2.300 2.211 2.393 . 0 0 "[ . 1 . 2]" 1
691 1 33 SER HB3 1 34 GLN H 2.650 . 3.500 3.108 2.940 3.237 . 0 0 "[ . 1 . 2]" 1
692 1 34 GLN H 1 34 GLN HA 2.650 . 3.500 2.935 2.916 2.945 . 0 0 "[ . 1 . 2]" 1
693 1 34 GLN H 1 34 GLN HB2 2.300 . 2.800 2.477 2.369 2.552 . 0 0 "[ . 1 . 2]" 1
694 1 34 GLN H 1 34 GLN HB2 2.300 . 2.800 2.442 2.340 2.514 . 0 0 "[ . 1 . 2]" 1
695 1 34 GLN H 1 34 GLN HB3 3.150 . 4.500 2.646 2.564 2.717 . 0 0 "[ . 1 . 2]" 1
696 1 34 GLN H 1 35 CYS H 3.650 . 5.500 3.845 3.809 3.874 . 0 0 "[ . 1 . 2]" 1
697 1 34 GLN HA 1 34 GLN HB2 2.650 . 3.500 2.429 2.345 2.472 . 0 0 "[ . 1 . 2]" 1
698 1 34 GLN HA 1 34 GLN HG3 3.150 . 4.500 2.595 2.547 2.728 . 0 0 "[ . 1 . 2]" 1
699 1 34 GLN HA 1 35 CYS H 2.300 . 2.800 2.185 2.144 2.221 . 0 0 "[ . 1 . 2]" 1
700 1 34 GLN HB2 1 34 GLN HE21 3.650 . 5.500 2.974 2.790 3.774 . 0 0 "[ . 1 . 2]" 1
701 1 34 GLN HB2 1 34 GLN HG2 2.650 . 3.500 2.995 2.977 3.011 . 0 0 "[ . 1 . 2]" 1
702 1 34 GLN HB2 1 34 GLN HG3 2.650 . 2.800 2.466 2.442 2.527 . 0 0 "[ . 1 . 2]" 1
703 1 34 GLN HB2 1 35 CYS H 3.650 . 4.500 4.065 3.909 4.151 . 0 0 "[ . 1 . 2]" 1
704 1 34 GLN HB3 1 34 GLN HE21 3.650 . 5.500 3.753 2.814 4.067 . 0 0 "[ . 1 . 2]" 1
705 1 34 GLN HB3 1 35 CYS H 3.650 . 5.500 4.049 3.979 4.181 . 0 0 "[ . 1 . 2]" 1
706 1 34 GLN HB3 1 36 LEU HG 3.150 . 4.500 3.032 2.882 3.274 . 0 0 "[ . 1 . 2]" 1
707 1 34 GLN HE21 1 34 GLN HG2 3.150 . 4.500 3.286 2.225 3.508 . 0 0 "[ . 1 . 2]" 1
708 1 34 GLN HE21 1 34 GLN HG3 2.650 . 3.500 2.441 2.217 3.457 . 0 0 "[ . 1 . 2]" 1
709 1 34 GLN HE21 1 36 LEU MD2 3.650 . 5.500 4.280 1.788 4.863 0.012 18 0 "[ . 1 . 2]" 1
710 1 34 GLN HE22 1 36 LEU MD2 3.150 . 4.500 4.063 2.965 4.367 . 0 0 "[ . 1 . 2]" 1
711 1 34 GLN HG2 1 35 CYS H 3.150 . 4.500 2.942 2.780 3.219 . 0 0 "[ . 1 . 2]" 1
712 1 34 GLN HG2 1 36 LEU MD1 2.650 . 3.500 3.507 3.379 3.540 0.040 12 0 "[ . 1 . 2]" 1
713 1 34 GLN HG2 1 36 LEU HG 3.150 . 4.500 2.363 2.145 2.599 . 0 0 "[ . 1 . 2]" 1
714 1 34 GLN HG3 1 35 CYS H 3.150 . 4.500 2.806 2.434 2.972 . 0 0 "[ . 1 . 2]" 1
715 1 34 GLN HG3 1 36 LEU MD2 3.150 . 4.500 4.030 3.674 4.222 . 0 0 "[ . 1 . 2]" 1
716 1 34 GLN HG3 1 36 LEU HG 3.650 . 5.500 4.096 3.913 4.226 . 0 0 "[ . 1 . 2]" 1
717 1 35 CYS H 1 35 CYS HB2 2.650 . 3.500 2.471 2.432 2.519 . 0 0 "[ . 1 . 2]" 1
718 1 35 CYS H 1 35 CYS HB3 3.150 . 4.500 3.619 3.591 3.640 . 0 0 "[ . 1 . 2]" 1
719 1 35 CYS HA 1 35 CYS HB3 2.650 . 3.500 2.482 2.446 2.501 . 0 0 "[ . 1 . 2]" 1
720 1 35 CYS HA 1 36 LEU H 2.300 . 2.800 2.066 2.036 2.094 . 0 0 "[ . 1 . 2]" 1
721 1 35 CYS HA 1 36 LEU QB 3.150 . 4.500 4.326 4.295 4.381 . 0 0 "[ . 1 . 2]" 1
722 1 35 CYS HA 1 36 LEU MD1 3.650 . 5.500 5.245 5.138 5.377 . 0 0 "[ . 1 . 2]" 1
723 1 35 CYS HA 1 36 LEU MD2 3.650 . 5.500 4.880 4.556 5.050 . 0 0 "[ . 1 . 2]" 1
724 1 35 CYS HA 1 36 LEU HG 3.150 . 4.500 4.179 4.009 4.327 . 0 0 "[ . 1 . 2]" 1
725 1 35 CYS HB3 1 36 LEU H 3.150 . 4.500 3.633 3.535 3.712 . 0 0 "[ . 1 . 2]" 1
726 1 36 LEU H 1 36 LEU HA 2.650 . 3.500 2.910 2.894 2.928 . 0 0 "[ . 1 . 2]" 1
727 1 36 LEU H 1 36 LEU MD2 3.650 . 5.500 3.920 3.683 3.979 . 0 0 "[ . 1 . 2]" 1
728 1 36 LEU H 1 36 LEU HG 2.650 . 3.500 3.157 2.954 3.268 . 0 0 "[ . 1 . 2]" 1
729 1 36 LEU HA 1 36 LEU HB2 2.650 . 3.500 3.019 3.004 3.030 . 0 0 "[ . 1 . 2]" 1
730 1 36 LEU HA 1 36 LEU QB 2.300 . 2.800 2.382 2.354 2.408 . 0 0 "[ . 1 . 2]" 1
731 1 36 LEU HA 1 36 LEU MD1 3.150 . 4.500 3.880 3.844 3.904 . 0 0 "[ . 1 . 2]" 1
732 1 36 LEU HA 1 36 LEU MD2 2.650 . 2.800 2.071 2.012 2.132 . 0 0 "[ . 1 . 2]" 1
733 1 36 LEU QB 1 36 LEU MD1 2.300 . 2.800 2.091 2.063 2.107 . 0 0 "[ . 1 . 2]" 1
734 1 36 LEU QB 1 36 LEU HG 2.300 . 2.800 2.382 2.359 2.396 . 0 0 "[ . 1 . 2]" 1
735 1 36 LEU HB2 1 36 LEU MD1 2.300 . 2.800 2.297 2.246 2.346 . 0 0 "[ . 1 . 2]" 1
736 1 36 LEU HB2 1 36 LEU HG 2.300 . 2.800 2.495 2.464 2.514 . 0 0 "[ . 1 . 2]" 1
737 1 36 LEU HB3 1 36 LEU MD2 2.300 . 2.800 2.329 2.303 2.358 . 0 0 "[ . 1 . 2]" 1
738 1 36 LEU MD1 1 36 LEU HG 2.300 . 2.800 2.123 2.115 2.129 . 0 0 "[ . 1 . 2]" 1
739 1 36 LEU MD2 1 36 LEU HG 2.300 . 2.800 2.130 2.121 2.137 . 0 0 "[ . 1 . 2]" 1
740 2 1 MAN H1 2 1 MAN H2 2.650 . 3.500 2.826 2.487 3.045 . 0 0 "[ . 1 . 2]" 1
741 2 1 MAN H1 2 1 MAN H2 2.650 . 3.500 2.557 2.159 2.946 . 0 0 "[ . 1 . 2]" 1
742 2 1 MAN H1 2 1 MAN H5 3.150 . 4.500 3.675 3.626 3.755 . 0 0 "[ . 1 . 2]" 1
743 2 1 MAN H1 2 1 MAN H61 3.650 . 5.500 3.722 2.209 5.380 . 0 0 "[ . 1 . 2]" 1
744 2 1 MAN H4 2 1 MAN H62 3.150 . 4.500 3.046 2.450 3.788 . 0 0 "[ . 1 . 2]" 1
745 2 1 MAN H5 2 1 MAN H62 2.650 . 3.500 2.621 2.395 3.072 . 0 0 "[ . 1 . 2]" 1
stop_
save_