NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567833 |
2mbk   |
19403 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mbk
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 701
_Distance_constraint_stats_list.Viol_count 818
_Distance_constraint_stats_list.Viol_total 1033.429
_Distance_constraint_stats_list.Viol_max 1.503
_Distance_constraint_stats_list.Viol_rms 0.0693
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0147
_Distance_constraint_stats_list.Viol_average_violations_only 0.1263
_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 4 LEU 0.000 0.000 . 0 "[ . 1]"
1 5 ILE 0.000 0.000 . 0 "[ . 1]"
1 6 THR 0.000 0.000 . 0 "[ . 1]"
1 7 GLY 0.000 0.000 . 0 "[ . 1]"
1 8 THR 0.000 0.000 . 0 "[ . 1]"
1 9 GLU 0.248 0.102 1 0 "[ . 1]"
1 10 ALA 1.198 0.160 7 0 "[ . 1]"
1 11 SER 0.000 0.000 . 0 "[ . 1]"
1 12 CYS 1.730 0.283 6 0 "[ . 1]"
1 13 GLU 0.909 0.283 6 0 "[ . 1]"
1 14 ASN 2.098 0.229 7 0 "[ . 1]"
1 15 GLU 1.905 0.229 7 0 "[ . 1]"
1 16 GLY 1.850 0.202 5 0 "[ . 1]"
1 17 GLU 9.509 0.467 10 0 "[ . 1]"
1 18 VAL 8.013 0.467 10 0 "[ . 1]"
1 19 LEU 2.586 0.296 9 0 "[ . 1]"
1 20 HIS 0.296 0.296 9 0 "[ . 1]"
1 21 ILE 0.130 0.063 9 0 "[ . 1]"
1 22 PRO 0.087 0.041 9 0 "[ . 1]"
1 23 ASN 0.090 0.038 1 0 "[ . 1]"
1 24 ILE 0.611 0.112 1 0 "[ . 1]"
1 25 THR 0.776 0.121 6 0 "[ . 1]"
1 26 ASP 0.357 0.062 7 0 "[ . 1]"
1 27 ASN 2.613 0.128 9 0 "[ . 1]"
1 28 PRO 2.567 0.146 9 0 "[ . 1]"
1 29 CYS 2.185 0.146 9 0 "[ . 1]"
1 30 ILE 1.416 0.128 9 0 "[ . 1]"
1 31 SER 0.485 0.067 6 0 "[ . 1]"
1 32 CYS 15.071 1.503 9 10 [****-***+*]
1 33 VAL 6.905 0.497 4 0 "[ . 1]"
1 34 CYS 20.200 1.503 9 10 [****-***+*]
1 35 LEU 7.081 0.265 5 0 "[ . 1]"
1 36 ASN 1.046 0.132 9 0 "[ . 1]"
1 37 GLN 4.029 0.349 9 0 "[ . 1]"
1 38 LYS 5.321 0.349 9 0 "[ . 1]"
1 39 ALA 1.911 0.160 7 0 "[ . 1]"
1 40 GLU 5.513 0.265 5 0 "[ . 1]"
1 41 CYS 3.562 0.310 6 0 "[ . 1]"
1 42 LYS 0.277 0.060 9 0 "[ . 1]"
1 43 GLN 0.805 0.066 6 0 "[ . 1]"
1 44 GLU 6.052 0.412 10 0 "[ . 1]"
1 45 LYS 6.736 0.412 10 0 "[ . 1]"
1 46 CYS 3.989 0.251 3 0 "[ . 1]"
1 47 ALA 0.931 0.251 3 0 "[ . 1]"
1 48 PRO 1.182 0.286 1 0 "[ . 1]"
1 49 LEU 6.246 0.442 4 0 "[ . 1]"
1 50 ALA 3.954 0.442 4 0 "[ . 1]"
1 51 GLU 4.525 0.409 1 0 "[ . 1]"
1 52 ASP 4.751 0.409 1 0 "[ . 1]"
1 53 CYS 4.590 0.357 3 0 "[ . 1]"
1 54 ALA 2.132 0.333 10 0 "[ . 1]"
1 55 LEU 5.388 0.476 7 0 "[ . 1]"
1 56 VAL 3.750 0.476 7 0 "[ . 1]"
1 57 VAL 3.645 0.390 2 0 "[ . 1]"
1 58 LYS 1.246 0.148 2 0 "[ . 1]"
1 59 GLN 0.044 0.044 8 0 "[ . 1]"
1 60 THR 0.000 0.000 . 0 "[ . 1]"
1 61 GLY 0.000 0.000 . 0 "[ . 1]"
1 62 ALA 0.066 0.044 8 0 "[ . 1]"
1 63 CYS 5.579 0.451 5 0 "[ . 1]"
1 64 CYS 5.300 0.451 5 0 "[ . 1]"
1 65 GLU 3.269 0.440 5 0 "[ . 1]"
1 66 LYS 3.330 0.440 5 0 "[ . 1]"
1 67 CYS 5.623 0.356 8 0 "[ . 1]"
1 68 LYS 6.172 0.390 3 0 "[ . 1]"
1 69 GLY 4.805 0.390 3 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 4 LEU HA 1 5 ILE H 3.500 . 4.000 3.268 3.176 3.437 . 0 0 "[ . 1]" 1
2 1 4 LEU QB 1 5 ILE HG12 3.500 . 5.000 4.157 3.611 4.343 . 0 0 "[ . 1]" 1
3 1 5 ILE HA 1 6 THR H 3.500 . 4.000 2.293 2.140 3.365 . 0 0 "[ . 1]" 1
4 1 5 ILE MG 1 6 THR H 3.500 . 5.000 2.518 2.060 3.713 . 0 0 "[ . 1]" 1
5 1 6 THR H 1 7 GLY H 5.000 . 5.500 3.720 2.258 4.637 . 0 0 "[ . 1]" 1
6 1 6 THR HA 1 7 GLY H 3.500 . 4.000 2.687 2.203 3.314 . 0 0 "[ . 1]" 1
7 1 6 THR HB 1 7 GLY H 3.500 . 5.000 3.337 2.362 4.475 . 0 0 "[ . 1]" 1
8 1 6 THR HG1 1 7 GLY H 3.500 . 5.000 3.371 2.230 4.050 . 0 0 "[ . 1]" 1
9 1 7 GLY H 1 8 THR H 5.000 . 5.500 3.066 2.309 4.631 . 0 0 "[ . 1]" 1
10 1 7 GLY HA2 1 8 THR H 3.500 . 4.000 2.945 2.269 3.391 . 0 0 "[ . 1]" 1
11 1 7 GLY HA3 1 8 THR H 3.500 . 4.000 3.128 2.384 3.571 . 0 0 "[ . 1]" 1
12 1 8 THR H 1 9 GLU H 3.500 . 4.000 2.597 2.267 2.980 . 0 0 "[ . 1]" 1
13 1 8 THR HA 1 9 GLU H . . 4.000 3.300 2.639 3.536 . 0 0 "[ . 1]" 1
14 1 9 GLU H 1 10 ALA H 4.500 . 5.000 3.822 2.590 4.648 . 0 0 "[ . 1]" 1
15 1 9 GLU HA 1 10 ALA H 3.500 . 4.000 2.729 2.138 3.528 . 0 0 "[ . 1]" 1
16 1 9 GLU HB2 1 10 ALA H . . 4.000 3.659 2.808 4.102 0.102 1 0 "[ . 1]" 1
17 1 9 GLU HB3 1 10 ALA H . . 4.000 3.273 2.607 4.034 0.034 1 0 "[ . 1]" 1
18 1 9 GLU QG 1 10 ALA H 3.500 . 5.000 3.945 2.552 4.329 . 0 0 "[ . 1]" 1
19 1 10 ALA H 1 11 SER H 5.000 . 5.500 3.530 2.323 4.456 . 0 0 "[ . 1]" 1
20 1 10 ALA H 1 11 SER QB 5.000 . 6.500 5.095 4.388 5.916 . 0 0 "[ . 1]" 1
21 1 10 ALA H 1 38 LYS HB3 5.000 . 5.500 5.094 4.457 5.597 0.097 9 0 "[ . 1]" 1
22 1 10 ALA H 1 39 ALA MB 5.000 . 6.500 4.044 3.143 4.645 . 0 0 "[ . 1]" 1
23 1 10 ALA HA 1 11 SER H . . 4.000 2.570 2.130 3.263 . 0 0 "[ . 1]" 1
24 1 10 ALA HA 1 21 ILE MD 4.000 . 5.500 4.396 3.926 4.549 . 0 0 "[ . 1]" 1
25 1 10 ALA MB 1 11 SER H 3.500 . 4.000 3.326 3.102 3.541 . 0 0 "[ . 1]" 1
26 1 10 ALA MB 1 11 SER QB 5.000 . 7.500 4.905 4.751 5.046 . 0 0 "[ . 1]" 1
27 1 10 ALA MB 1 19 LEU MD2 3.500 . 6.000 3.743 2.927 4.018 . 0 0 "[ . 1]" 1
28 1 10 ALA MB 1 21 ILE MD 3.500 . 6.000 2.674 1.976 3.927 . 0 0 "[ . 1]" 1
29 1 10 ALA MB 1 39 ALA H 5.000 . 5.000 2.603 1.811 3.839 . 0 0 "[ . 1]" 1
30 1 10 ALA MB 1 39 ALA MB 2.500 . 5.000 1.795 1.640 2.214 0.160 7 0 "[ . 1]" 1
31 1 11 SER HA 1 12 CYS H 5.000 . 5.500 2.392 2.273 2.618 . 0 0 "[ . 1]" 1
32 1 11 SER QB 1 12 CYS H 2.500 . 4.000 2.456 2.022 2.665 . 0 0 "[ . 1]" 1
33 1 11 SER QB 1 37 GLN HB2 6.000 . 6.500 4.449 4.085 5.012 . 0 0 "[ . 1]" 1
34 1 11 SER QB 1 37 GLN HB3 5.000 . 6.500 3.136 2.976 3.615 . 0 0 "[ . 1]" 1
35 1 11 SER QB 1 37 GLN HG3 5.000 . 6.500 5.731 5.496 5.802 . 0 0 "[ . 1]" 1
36 1 11 SER QB 1 38 LYS HA 5.000 . 6.500 3.828 3.612 4.324 . 0 0 "[ . 1]" 1
37 1 11 SER QB 1 39 ALA H 5.000 . 6.500 5.141 4.801 5.668 . 0 0 "[ . 1]" 1
38 1 12 CYS H 1 13 GLU HA 5.000 . 5.500 4.922 4.636 5.075 . 0 0 "[ . 1]" 1
39 1 12 CYS H 1 19 LEU MD2 5.000 . 6.500 4.354 3.353 5.258 . 0 0 "[ . 1]" 1
40 1 12 CYS H 1 37 GLN H 5.000 . 5.500 5.103 4.697 5.442 . 0 0 "[ . 1]" 1
41 1 12 CYS H 1 37 GLN HA 3.500 . 4.000 2.987 2.600 3.349 . 0 0 "[ . 1]" 1
42 1 12 CYS H 1 37 GLN HB2 5.000 . 5.500 4.759 3.481 5.360 . 0 0 "[ . 1]" 1
43 1 12 CYS H 1 37 GLN HB3 3.500 . 4.000 3.349 2.174 3.919 . 0 0 "[ . 1]" 1
44 1 12 CYS H 1 38 LYS H 5.000 . 5.500 4.333 3.855 4.636 . 0 0 "[ . 1]" 1
45 1 12 CYS H 1 38 LYS HA 3.500 . 4.000 3.846 3.417 4.053 0.053 7 0 "[ . 1]" 1
46 1 12 CYS H 1 38 LYS QG 5.000 . 6.500 4.969 3.953 5.337 . 0 0 "[ . 1]" 1
47 1 12 CYS HA 1 13 GLU H 3.500 . 4.000 2.598 2.353 2.719 . 0 0 "[ . 1]" 1
48 1 12 CYS HA 1 13 GLU QG 3.500 . 5.000 3.635 3.380 4.089 . 0 0 "[ . 1]" 1
49 1 12 CYS HA 1 14 ASN H 5.000 . 5.500 4.363 3.938 4.847 . 0 0 "[ . 1]" 1
50 1 12 CYS HA 1 19 LEU MD2 3.500 . 5.000 4.042 3.645 4.187 . 0 0 "[ . 1]" 1
51 1 12 CYS HB2 1 13 GLU H 3.500 . 4.000 2.689 2.089 3.826 . 0 0 "[ . 1]" 1
52 1 12 CYS HB2 1 13 GLU HA 5.000 . 5.500 5.089 4.564 5.783 0.283 6 0 "[ . 1]" 1
53 1 12 CYS HB2 1 14 ASN H 5.000 . 5.500 3.469 2.237 5.251 . 0 0 "[ . 1]" 1
54 1 12 CYS HB2 1 19 LEU MD1 3.500 . 5.000 2.692 1.832 4.096 . 0 0 "[ . 1]" 1
55 1 12 CYS HB2 1 19 LEU MD2 3.500 . 4.000 2.952 1.733 3.333 0.067 6 0 "[ . 1]" 1
56 1 12 CYS HB2 1 34 CYS HB2 5.000 . 5.500 3.184 2.242 4.850 . 0 0 "[ . 1]" 1
57 1 12 CYS HB2 1 39 ALA MB 5.000 . 6.500 5.273 5.107 5.360 . 0 0 "[ . 1]" 1
58 1 12 CYS HB3 1 13 GLU H 3.500 . 4.000 3.454 2.399 3.685 . 0 0 "[ . 1]" 1
59 1 12 CYS HB3 1 14 ASN H 3.500 . 4.000 4.047 3.502 4.217 0.217 4 0 "[ . 1]" 1
60 1 12 CYS HB3 1 19 LEU MD1 3.500 . 5.000 3.345 2.808 4.218 . 0 0 "[ . 1]" 1
61 1 12 CYS HB3 1 19 LEU MD2 3.500 . 5.000 2.527 1.971 3.868 . 0 0 "[ . 1]" 1
62 1 12 CYS HB3 1 34 CYS H 5.000 . 5.500 4.528 4.317 5.002 . 0 0 "[ . 1]" 1
63 1 12 CYS HB3 1 34 CYS HB2 3.500 . 4.000 2.869 2.218 3.861 . 0 0 "[ . 1]" 1
64 1 12 CYS HB3 1 38 LYS H 5.000 . 5.500 4.432 3.629 4.948 . 0 0 "[ . 1]" 1
65 1 13 GLU H 1 34 CYS HB2 5.000 . 5.500 4.694 4.035 5.569 0.069 1 0 "[ . 1]" 1
66 1 13 GLU HA 1 14 ASN H 5.000 . 5.500 3.456 3.290 3.565 . 0 0 "[ . 1]" 1
67 1 13 GLU HB2 1 14 ASN H 3.500 . 4.000 2.973 2.257 3.578 . 0 0 "[ . 1]" 1
68 1 13 GLU HB3 1 14 ASN H 3.500 . 4.000 3.852 3.286 4.019 0.019 2 0 "[ . 1]" 1
69 1 13 GLU HB3 1 14 ASN HB2 5.000 . 5.500 4.939 4.342 5.597 0.097 3 0 "[ . 1]" 1
70 1 13 GLU QG 1 14 ASN H 5.000 . 6.500 4.196 3.904 4.564 . 0 0 "[ . 1]" 1
71 1 14 ASN H 1 15 GLU H 5.000 . 5.500 4.075 3.788 4.580 . 0 0 "[ . 1]" 1
72 1 14 ASN H 1 15 GLU HA 5.000 . 5.500 4.904 4.674 5.326 . 0 0 "[ . 1]" 1
73 1 14 ASN H 1 17 GLU HG3 5.000 . 5.500 4.861 4.321 5.515 0.015 9 0 "[ . 1]" 1
74 1 14 ASN H 1 34 CYS HB2 5.000 . 5.500 4.060 3.779 4.280 . 0 0 "[ . 1]" 1
75 1 14 ASN H 1 34 CYS HB3 5.000 . 5.500 4.342 3.557 4.929 . 0 0 "[ . 1]" 1
76 1 14 ASN HA 1 15 GLU H 3.500 . 4.000 2.928 2.197 3.272 . 0 0 "[ . 1]" 1
77 1 14 ASN HA 1 15 GLU HB3 5.000 . 5.500 4.860 4.654 5.729 0.229 7 0 "[ . 1]" 1
78 1 14 ASN HB2 1 15 GLU H 3.500 . 4.000 3.187 2.144 4.020 0.020 1 0 "[ . 1]" 1
79 1 14 ASN HB2 1 17 GLU H 5.000 . 5.500 5.014 4.161 5.627 0.127 5 0 "[ . 1]" 1
80 1 14 ASN HB2 1 17 GLU QB 3.500 . 5.000 3.206 2.369 4.080 . 0 0 "[ . 1]" 1
81 1 14 ASN HB3 1 15 GLU H 3.500 . 4.000 2.312 1.815 3.884 . 0 0 "[ . 1]" 1
82 1 14 ASN HB3 1 17 GLU H 5.000 . 5.500 4.212 3.720 5.241 . 0 0 "[ . 1]" 1
83 1 14 ASN HB3 1 17 GLU QB 2.500 . 4.000 2.727 1.742 3.589 0.058 9 0 "[ . 1]" 1
84 1 14 ASN HB3 1 17 GLU HG2 3.500 . 4.000 3.138 2.152 4.095 0.095 4 0 "[ . 1]" 1
85 1 15 GLU H 1 16 GLY H 3.500 . 4.000 3.998 3.917 4.117 0.117 6 0 "[ . 1]" 1
86 1 15 GLU HA 1 16 GLY H 2.500 . 3.000 2.134 2.067 2.195 . 0 0 "[ . 1]" 1
87 1 15 GLU HA 1 35 LEU H 5.000 . 5.500 5.590 5.180 5.727 0.227 7 0 "[ . 1]" 1
88 1 15 GLU HB2 1 16 GLY H 5.000 . 5.500 4.379 4.243 4.514 . 0 0 "[ . 1]" 1
89 1 15 GLU HB3 1 16 GLY H 5.000 . 5.500 4.222 3.421 4.429 . 0 0 "[ . 1]" 1
90 1 15 GLU HG2 1 16 GLY H 3.500 . 4.000 3.509 2.987 4.109 0.109 7 0 "[ . 1]" 1
91 1 15 GLU HG3 1 16 GLY H 5.000 . 5.500 3.766 3.228 4.976 . 0 0 "[ . 1]" 1
92 1 16 GLY H 1 17 GLU H . . 3.000 2.742 2.451 2.972 . 0 0 "[ . 1]" 1
93 1 16 GLY H 1 33 VAL HA 5.000 . 5.500 5.413 5.196 5.593 0.093 3 0 "[ . 1]" 1
94 1 16 GLY H 1 33 VAL HB 6.000 . 6.500 6.330 6.031 6.531 0.031 7 0 "[ . 1]" 1
95 1 16 GLY H 1 33 VAL MG2 3.500 . 5.000 3.542 3.329 3.685 . 0 0 "[ . 1]" 1
96 1 16 GLY H 1 34 CYS HB2 3.500 . 4.000 3.117 1.830 3.569 . 0 0 "[ . 1]" 1
97 1 16 GLY H 1 34 CYS HB3 3.500 . 4.000 2.209 1.746 3.269 0.054 7 0 "[ . 1]" 1
98 1 16 GLY H 1 35 LEU HA 3.500 . 4.000 3.670 3.204 3.882 . 0 0 "[ . 1]" 1
99 1 16 GLY H 1 35 LEU HB3 6.000 . 6.500 6.000 5.634 6.108 . 0 0 "[ . 1]" 1
100 1 16 GLY H 1 35 LEU QD 5.000 . 7.500 5.103 4.665 5.342 . 0 0 "[ . 1]" 1
101 1 16 GLY H 1 36 ASN H 5.000 . 5.500 4.628 4.369 4.870 . 0 0 "[ . 1]" 1
102 1 16 GLY HA2 1 17 GLU H 3.500 . 4.000 2.791 2.600 2.943 . 0 0 "[ . 1]" 1
103 1 16 GLY HA3 1 17 GLU H 5.000 . 5.500 3.553 3.521 3.593 . 0 0 "[ . 1]" 1
104 1 16 GLY HA3 1 34 CYS HB2 5.000 . 5.500 5.327 4.145 5.702 0.202 5 0 "[ . 1]" 1
105 1 17 GLU H 1 18 VAL H 3.500 . 4.000 2.546 1.936 2.943 . 0 0 "[ . 1]" 1
106 1 17 GLU H 1 18 VAL HA 5.000 . 5.500 4.431 4.234 4.615 . 0 0 "[ . 1]" 1
107 1 17 GLU H 1 19 LEU MD1 3.500 . 5.000 3.262 2.836 3.980 . 0 0 "[ . 1]" 1
108 1 17 GLU H 1 19 LEU MD2 5.000 . 6.500 4.367 3.941 5.346 . 0 0 "[ . 1]" 1
109 1 17 GLU H 1 19 LEU HG 5.000 . 5.500 5.253 4.299 5.604 0.104 3 0 "[ . 1]" 1
110 1 17 GLU H 1 33 VAL HA 5.000 . 5.500 4.024 3.752 4.218 . 0 0 "[ . 1]" 1
111 1 17 GLU H 1 33 VAL HB 5.000 . 5.500 5.296 4.895 5.586 0.086 10 0 "[ . 1]" 1
112 1 17 GLU H 1 34 CYS H 3.500 . 4.000 2.508 2.193 2.702 . 0 0 "[ . 1]" 1
113 1 17 GLU H 1 34 CYS HB2 3.500 . 4.000 2.549 1.713 3.025 0.087 9 0 "[ . 1]" 1
114 1 17 GLU H 1 34 CYS HB3 2.500 . 3.000 2.376 1.795 3.439 0.439 1 0 "[ . 1]" 1
115 1 17 GLU HA 1 18 VAL H 2.500 . 3.000 3.238 2.910 3.411 0.411 5 0 "[ . 1]" 1
116 1 17 GLU HA 1 18 VAL HB . . 4.000 4.347 4.058 4.467 0.467 10 0 "[ . 1]" 1
117 1 17 GLU HA 1 18 VAL MG1 5.000 . 6.500 3.358 2.879 4.241 . 0 0 "[ . 1]" 1
118 1 17 GLU HA 1 33 VAL MG2 5.000 . 6.500 3.206 2.896 3.586 . 0 0 "[ . 1]" 1
119 1 17 GLU QB 1 18 VAL H 3.500 . 5.000 2.747 1.735 3.976 0.065 7 0 "[ . 1]" 1
120 1 17 GLU QB 1 34 CYS HB2 5.000 . 5.000 3.578 2.628 4.483 . 0 0 "[ . 1]" 1
121 1 17 GLU QB 1 34 CYS HB3 3.500 . 4.500 3.751 3.611 3.923 . 0 0 "[ . 1]" 1
122 1 17 GLU HG2 1 18 VAL H 3.500 . 4.000 3.774 2.959 4.080 0.080 1 0 "[ . 1]" 1
123 1 17 GLU HG3 1 18 VAL H 3.500 . 4.000 4.072 3.783 4.292 0.292 1 0 "[ . 1]" 1
124 1 18 VAL H 1 19 LEU H 3.500 . 4.000 3.693 3.398 4.029 0.029 1 0 "[ . 1]" 1
125 1 18 VAL H 1 19 LEU HA 5.000 . 5.500 4.894 4.256 5.459 . 0 0 "[ . 1]" 1
126 1 18 VAL HA 1 19 LEU H 2.500 . 3.000 2.129 2.085 2.205 . 0 0 "[ . 1]" 1
127 1 18 VAL HA 1 19 LEU QB 5.000 . 6.500 4.656 4.405 4.736 . 0 0 "[ . 1]" 1
128 1 18 VAL HA 1 19 LEU MD2 5.000 . 6.500 3.550 2.807 4.986 . 0 0 "[ . 1]" 1
129 1 18 VAL HA 1 19 LEU HG 5.000 . 5.500 4.994 3.685 5.512 0.012 3 0 "[ . 1]" 1
130 1 18 VAL HA 1 32 CYS H 5.000 . 5.500 4.263 4.030 4.788 . 0 0 "[ . 1]" 1
131 1 18 VAL HA 1 33 VAL H 5.000 . 5.500 4.193 4.113 4.348 . 0 0 "[ . 1]" 1
132 1 18 VAL HA 1 33 VAL HA 2.500 . 3.000 1.738 1.691 1.773 0.109 6 0 "[ . 1]" 1
133 1 18 VAL HA 1 33 VAL HB 3.500 . 4.000 3.177 2.720 3.763 . 0 0 "[ . 1]" 1
134 1 18 VAL HA 1 33 VAL MG2 2.500 . 4.000 2.483 1.818 2.852 . 0 0 "[ . 1]" 1
135 1 18 VAL HB 1 19 LEU H 5.000 . 5.500 4.259 3.775 4.413 . 0 0 "[ . 1]" 1
136 1 18 VAL MG1 1 19 LEU H 3.500 . 5.000 4.020 3.357 4.187 . 0 0 "[ . 1]" 1
137 1 18 VAL MG1 1 20 HIS H 5.000 . 6.500 4.696 3.524 5.250 . 0 0 "[ . 1]" 1
138 1 18 VAL MG1 1 32 CYS H 5.000 . 6.500 5.525 5.341 5.681 . 0 0 "[ . 1]" 1
139 1 18 VAL MG1 1 33 VAL MG2 2.500 . 5.000 3.490 3.346 3.667 . 0 0 "[ . 1]" 1
140 1 18 VAL MG2 1 19 LEU H 2.500 . 4.000 2.803 2.272 3.099 . 0 0 "[ . 1]" 1
141 1 18 VAL MG2 1 20 HIS H 3.500 . 5.000 3.762 2.633 4.121 . 0 0 "[ . 1]" 1
142 1 18 VAL MG2 1 32 CYS H 3.500 . 5.000 3.076 2.861 3.452 . 0 0 "[ . 1]" 1
143 1 19 LEU H 1 20 HIS H 5.000 . 5.500 3.882 2.009 4.347 . 0 0 "[ . 1]" 1
144 1 19 LEU H 1 32 CYS H 5.000 . 5.500 3.629 3.378 3.837 . 0 0 "[ . 1]" 1
145 1 19 LEU H 1 32 CYS HA 5.000 . 5.500 4.582 4.384 4.712 . 0 0 "[ . 1]" 1
146 1 19 LEU H 1 32 CYS HB2 5.000 . 5.500 3.249 2.253 4.616 . 0 0 "[ . 1]" 1
147 1 19 LEU H 1 32 CYS HB3 5.000 . 5.500 3.753 2.875 4.222 . 0 0 "[ . 1]" 1
148 1 19 LEU H 1 33 VAL H 5.000 . 5.500 4.256 3.958 4.391 . 0 0 "[ . 1]" 1
149 1 19 LEU H 1 33 VAL HA 3.500 . 4.000 2.588 2.175 3.035 . 0 0 "[ . 1]" 1
150 1 19 LEU HA 1 20 HIS H . . 3.000 2.258 2.079 3.296 0.296 9 0 "[ . 1]" 1
151 1 19 LEU QB 1 20 HIS H 3.500 . 5.000 3.380 3.185 3.845 . 0 0 "[ . 1]" 1
152 1 19 LEU QB 1 32 CYS H 5.000 . 6.500 4.992 4.529 5.332 . 0 0 "[ . 1]" 1
153 1 19 LEU QB 1 32 CYS HB2 3.500 . 5.000 3.247 2.859 4.163 . 0 0 "[ . 1]" 1
154 1 19 LEU QB 1 32 CYS HB3 3.500 . 5.000 3.595 2.158 4.121 . 0 0 "[ . 1]" 1
155 1 19 LEU MD1 1 20 HIS H 3.500 . 5.000 3.997 3.529 4.151 . 0 0 "[ . 1]" 1
156 1 19 LEU MD1 1 34 CYS HB2 3.500 . 5.000 2.474 1.818 4.102 . 0 0 "[ . 1]" 1
157 1 19 LEU MD1 1 34 CYS HB3 3.500 . 5.000 3.378 2.995 4.164 . 0 0 "[ . 1]" 1
158 1 19 LEU MD2 1 32 CYS HA 5.000 . 6.500 4.485 4.043 5.320 . 0 0 "[ . 1]" 1
159 1 19 LEU MD2 1 33 VAL H 3.500 . 5.000 3.669 3.365 4.232 . 0 0 "[ . 1]" 1
160 1 19 LEU MD2 1 33 VAL HA 3.500 . 5.000 2.761 2.096 4.187 . 0 0 "[ . 1]" 1
161 1 19 LEU MD2 1 34 CYS H 3.500 . 5.000 2.475 1.899 3.698 . 0 0 "[ . 1]" 1
162 1 19 LEU MD2 1 34 CYS HA 3.500 . 5.000 1.860 1.731 2.220 0.069 1 0 "[ . 1]" 1
163 1 19 LEU MD2 1 34 CYS HB2 3.500 . 5.000 3.044 2.495 4.151 . 0 0 "[ . 1]" 1
164 1 19 LEU MD2 1 34 CYS HB3 3.500 . 5.000 3.591 3.242 3.968 . 0 0 "[ . 1]" 1
165 1 19 LEU MD2 1 35 LEU H 5.000 . 6.500 3.422 2.957 3.887 . 0 0 "[ . 1]" 1
166 1 19 LEU MD2 1 39 ALA H 3.500 . 5.000 3.504 2.846 3.838 . 0 0 "[ . 1]" 1
167 1 19 LEU MD2 1 39 ALA HA 2.500 . 4.000 1.757 1.679 2.084 0.121 6 0 "[ . 1]" 1
168 1 19 LEU MD2 1 39 ALA MB 2.500 . 5.000 2.058 1.928 2.296 . 0 0 "[ . 1]" 1
169 1 19 LEU MD2 1 40 GLU H 3.500 . 5.000 3.028 2.695 3.416 . 0 0 "[ . 1]" 1
170 1 19 LEU MD2 1 41 CYS H 5.000 . 6.500 5.454 5.323 5.567 . 0 0 "[ . 1]" 1
171 1 19 LEU HG 1 34 CYS H 3.500 . 4.000 3.846 2.728 4.106 0.106 3 0 "[ . 1]" 1
172 1 19 LEU HG 1 34 CYS HB2 . . 4.000 3.359 2.835 4.242 0.242 9 0 "[ . 1]" 1
173 1 19 LEU HG 1 34 CYS HB3 5.000 . 5.500 4.534 3.599 4.891 . 0 0 "[ . 1]" 1
174 1 20 HIS H 1 21 ILE MD 3.500 . 5.000 3.884 3.572 4.090 . 0 0 "[ . 1]" 1
175 1 20 HIS HA 1 21 ILE H 3.500 . 4.000 2.211 2.134 2.725 . 0 0 "[ . 1]" 1
176 1 20 HIS QB 1 21 ILE H 3.500 . 5.000 3.284 2.941 3.901 . 0 0 "[ . 1]" 1
177 1 21 ILE H 1 22 PRO HD2 5.000 . 5.500 4.738 4.585 4.862 . 0 0 "[ . 1]" 1
178 1 21 ILE H 1 22 PRO HD3 5.000 . 5.500 4.958 4.768 5.136 . 0 0 "[ . 1]" 1
179 1 21 ILE H 1 25 THR H 3.500 . 4.000 2.960 2.607 4.063 0.063 9 0 "[ . 1]" 1
180 1 21 ILE H 1 25 THR MG 3.500 . 4.000 1.917 1.814 2.264 . 0 0 "[ . 1]" 1
181 1 21 ILE HA 1 22 PRO HD2 2.500 . 3.000 2.083 1.944 2.299 . 0 0 "[ . 1]" 1
182 1 21 ILE HA 1 22 PRO HD3 2.500 . 3.000 2.504 2.415 2.602 . 0 0 "[ . 1]" 1
183 1 21 ILE HA 1 24 ILE H 5.000 . 5.500 4.886 4.549 5.078 . 0 0 "[ . 1]" 1
184 1 21 ILE HA 1 24 ILE MG 5.000 . 6.500 5.373 5.305 5.425 . 0 0 "[ . 1]" 1
185 1 21 ILE HB 1 24 ILE H 3.500 . 4.000 3.509 2.744 3.774 . 0 0 "[ . 1]" 1
186 1 21 ILE HB 1 25 THR H 3.500 . 4.000 2.604 1.866 3.072 . 0 0 "[ . 1]" 1
187 1 21 ILE MD 1 22 PRO HD2 5.000 . 6.500 4.007 2.814 4.687 . 0 0 "[ . 1]" 1
188 1 21 ILE MD 1 22 PRO HD3 5.000 . 6.500 4.772 3.714 5.370 . 0 0 "[ . 1]" 1
189 1 21 ILE MD 1 24 ILE H 5.000 . 6.500 5.316 5.159 5.449 . 0 0 "[ . 1]" 1
190 1 21 ILE MD 1 24 ILE HB 3.500 . 5.000 3.852 3.357 4.318 . 0 0 "[ . 1]" 1
191 1 21 ILE MD 1 32 CYS H 5.000 . 6.500 4.485 3.959 5.327 . 0 0 "[ . 1]" 1
192 1 21 ILE MD 1 32 CYS HB2 3.500 . 5.000 2.834 2.285 3.553 . 0 0 "[ . 1]" 1
193 1 21 ILE MD 1 32 CYS HB3 3.500 . 5.000 3.213 2.255 4.080 . 0 0 "[ . 1]" 1
194 1 21 ILE HG12 1 25 THR H 5.000 . 5.500 4.875 3.695 5.526 0.026 5 0 "[ . 1]" 1
195 1 21 ILE HG12 1 39 ALA MB 2.500 . 4.000 3.354 3.153 3.462 . 0 0 "[ . 1]" 1
196 1 21 ILE MG 1 22 PRO QG 3.500 . 6.000 2.663 2.447 2.982 . 0 0 "[ . 1]" 1
197 1 22 PRO HA 1 23 ASN H 3.500 . 4.000 2.959 2.120 3.509 . 0 0 "[ . 1]" 1
198 1 22 PRO HA 1 23 ASN HA 5.000 . 5.500 4.575 4.359 4.759 . 0 0 "[ . 1]" 1
199 1 22 PRO HA 1 24 ILE H 5.000 . 5.500 4.037 3.534 4.880 . 0 0 "[ . 1]" 1
200 1 22 PRO HA 1 25 THR H 5.000 . 5.500 4.685 4.415 5.237 . 0 0 "[ . 1]" 1
201 1 22 PRO HA 1 26 ASP H 5.000 . 5.500 3.959 3.354 4.932 . 0 0 "[ . 1]" 1
202 1 22 PRO HB2 1 23 ASN H . . 4.000 2.441 1.782 3.478 0.018 9 0 "[ . 1]" 1
203 1 22 PRO HB2 1 24 ILE H 5.000 . 5.500 4.507 4.268 4.795 . 0 0 "[ . 1]" 1
204 1 22 PRO HB3 1 23 ASN H 3.500 . 4.000 3.569 3.357 3.938 . 0 0 "[ . 1]" 1
205 1 22 PRO HB3 1 24 ILE H 5.000 . 5.500 5.386 5.226 5.541 0.041 9 0 "[ . 1]" 1
206 1 22 PRO HD2 1 23 ASN H 6.000 2.800 6.500 4.634 3.777 5.700 . 0 0 "[ . 1]" 1
207 1 22 PRO QG 1 23 ASN H 3.500 . 5.000 3.134 2.037 4.592 . 0 0 "[ . 1]" 1
208 1 22 PRO QG 1 23 ASN HB3 5.000 . 6.500 4.828 4.170 5.498 . 0 0 "[ . 1]" 1
209 1 23 ASN H 1 24 ILE H 3.500 . 4.000 2.932 2.601 3.192 . 0 0 "[ . 1]" 1
210 1 23 ASN H 1 25 THR H 5.000 . 5.500 5.030 4.743 5.414 . 0 0 "[ . 1]" 1
211 1 23 ASN H 1 26 ASP H 5.000 . 5.500 4.193 3.298 4.871 . 0 0 "[ . 1]" 1
212 1 23 ASN H 1 26 ASP HB2 5.000 . 5.500 3.223 1.812 4.362 . 0 0 "[ . 1]" 1
213 1 23 ASN H 1 26 ASP HB3 5.000 . 5.500 4.566 3.325 5.520 0.020 2 0 "[ . 1]" 1
214 1 23 ASN HA 1 24 ILE H 3.500 . 4.000 3.489 3.436 3.549 . 0 0 "[ . 1]" 1
215 1 23 ASN HA 1 26 ASP HB2 5.000 . 5.500 2.895 1.811 3.569 . 0 0 "[ . 1]" 1
216 1 23 ASN HB2 1 24 ILE H 3.500 . 4.000 3.449 2.820 4.038 0.038 1 0 "[ . 1]" 1
217 1 23 ASN HB3 1 24 ILE H 3.500 . 4.000 3.393 2.707 3.987 . 0 0 "[ . 1]" 1
218 1 24 ILE H 1 25 THR H 2.500 . 3.000 2.814 2.748 2.947 . 0 0 "[ . 1]" 1
219 1 24 ILE H 1 25 THR MG 5.000 . 6.500 4.577 4.284 4.707 . 0 0 "[ . 1]" 1
220 1 24 ILE H 1 26 ASP H 3.500 . 4.000 3.212 2.960 3.467 . 0 0 "[ . 1]" 1
221 1 24 ILE H 1 26 ASP HB2 6.000 . 6.500 4.059 3.468 4.447 . 0 0 "[ . 1]" 1
222 1 24 ILE H 1 26 ASP HB3 5.000 . 5.500 4.791 4.533 5.111 . 0 0 "[ . 1]" 1
223 1 24 ILE H 1 27 ASN H 5.000 . 5.500 5.537 5.412 5.612 0.112 1 0 "[ . 1]" 1
224 1 24 ILE H 1 30 ILE MD 5.000 . 6.500 5.271 5.139 5.363 . 0 0 "[ . 1]" 1
225 1 24 ILE HA 1 25 THR H 5.000 . 5.500 3.559 3.542 3.587 . 0 0 "[ . 1]" 1
226 1 24 ILE HA 1 27 ASN H 5.000 . 5.500 4.962 4.612 5.201 . 0 0 "[ . 1]" 1
227 1 24 ILE HA 1 30 ILE MD 3.500 . 5.000 3.088 2.878 3.207 . 0 0 "[ . 1]" 1
228 1 24 ILE HB 1 25 THR H 2.500 . 3.000 2.036 1.861 2.310 . 0 0 "[ . 1]" 1
229 1 24 ILE HB 1 26 ASP H 5.000 . 5.500 4.165 3.926 4.347 . 0 0 "[ . 1]" 1
230 1 24 ILE MG 1 25 THR H 3.500 . 5.000 2.546 2.295 2.904 . 0 0 "[ . 1]" 1
231 1 24 ILE MG 1 27 ASN H 5.000 . 6.500 5.060 4.903 5.241 . 0 0 "[ . 1]" 1
232 1 24 ILE MG 1 41 CYS HB2 3.500 . 5.000 2.822 1.938 3.428 . 0 0 "[ . 1]" 1
233 1 25 THR H 1 26 ASP H 3.500 . 4.000 2.627 2.489 2.769 . 0 0 "[ . 1]" 1
234 1 25 THR H 1 26 ASP HB2 5.000 . 5.500 4.771 4.465 5.219 . 0 0 "[ . 1]" 1
235 1 25 THR H 1 27 ASN H 5.000 . 5.500 4.575 4.408 4.686 . 0 0 "[ . 1]" 1
236 1 25 THR H 1 31 SER HA 5.000 . 5.500 5.061 4.767 5.325 . 0 0 "[ . 1]" 1
237 1 25 THR HA 1 26 ASP H 5.000 . 5.500 3.271 3.218 3.312 . 0 0 "[ . 1]" 1
238 1 25 THR HA 1 27 ASN H . . 4.000 3.193 3.116 3.246 . 0 0 "[ . 1]" 1
239 1 25 THR HA 1 27 ASN HA 5.000 . 5.500 5.565 5.510 5.621 0.121 6 0 "[ . 1]" 1
240 1 25 THR HA 1 27 ASN HB3 5.000 . 5.500 4.687 4.447 4.865 . 0 0 "[ . 1]" 1
241 1 25 THR HA 1 30 ILE MD 5.000 . 6.500 3.859 3.541 4.170 . 0 0 "[ . 1]" 1
242 1 25 THR HA 1 30 ILE MG 3.500 . 4.000 2.552 2.202 2.804 . 0 0 "[ . 1]" 1
243 1 25 THR HB 1 26 ASP H 5.000 . 5.500 4.359 4.288 4.449 . 0 0 "[ . 1]" 1
244 1 25 THR HB 1 27 ASN H 3.500 . 5.000 4.806 4.736 4.960 . 0 0 "[ . 1]" 1
245 1 25 THR HG1 1 26 ASP H 3.500 . 5.000 3.136 2.784 3.712 . 0 0 "[ . 1]" 1
246 1 25 THR HG1 1 30 ILE HB 3.500 . 5.000 3.700 3.499 3.855 . 0 0 "[ . 1]" 1
247 1 25 THR HG1 1 30 ILE MG 2.500 . 5.000 2.592 2.163 2.870 . 0 0 "[ . 1]" 1
248 1 25 THR HG1 1 32 CYS H 2.500 . 4.000 2.344 2.121 2.617 . 0 0 "[ . 1]" 1
249 1 25 THR MG 1 27 ASN H 5.000 . 6.500 5.033 4.990 5.085 . 0 0 "[ . 1]" 1
250 1 25 THR MG 1 31 SER H 5.000 . 6.500 3.529 3.304 3.972 . 0 0 "[ . 1]" 1
251 1 25 THR MG 1 32 CYS H 2.500 . 4.000 2.345 2.122 2.619 . 0 0 "[ . 1]" 1
252 1 25 THR MG 1 32 CYS HB3 5.000 . 5.000 3.917 2.901 4.249 . 0 0 "[ . 1]" 1
253 1 26 ASP H 1 27 ASN H 2.500 . 3.000 2.683 2.621 2.742 . 0 0 "[ . 1]" 1
254 1 26 ASP H 1 27 ASN HB2 5.000 . 5.500 4.776 4.591 4.907 . 0 0 "[ . 1]" 1
255 1 26 ASP H 1 27 ASN HB3 5.000 . 5.500 5.518 5.419 5.562 0.062 7 0 "[ . 1]" 1
256 1 26 ASP H 1 30 ILE MD 5.000 . 6.500 4.530 4.357 4.648 . 0 0 "[ . 1]" 1
257 1 26 ASP HA 1 27 ASN H 3.500 . 4.000 3.452 3.424 3.468 . 0 0 "[ . 1]" 1
258 1 26 ASP HB2 1 27 ASN H . . 4.000 3.911 3.695 4.045 0.045 4 0 "[ . 1]" 1
259 1 26 ASP HB3 1 27 ASN H 5.000 . 5.500 2.863 2.757 3.009 . 0 0 "[ . 1]" 1
260 1 27 ASN H 1 28 PRO HD2 5.000 . 5.500 4.669 4.650 4.691 . 0 0 "[ . 1]" 1
261 1 27 ASN H 1 28 PRO HD3 5.000 . 5.500 5.017 4.901 5.121 . 0 0 "[ . 1]" 1
262 1 27 ASN H 1 30 ILE H 5.000 . 5.500 4.049 3.916 4.179 . 0 0 "[ . 1]" 1
263 1 27 ASN H 1 30 ILE HB 5.000 . 5.500 3.083 2.970 3.229 . 0 0 "[ . 1]" 1
264 1 27 ASN H 1 30 ILE MD 3.500 . 5.000 3.550 3.390 3.804 . 0 0 "[ . 1]" 1
265 1 27 ASN H 1 30 ILE HG12 5.000 . 5.500 5.533 5.331 5.628 0.128 9 0 "[ . 1]" 1
266 1 27 ASN H 1 30 ILE HG13 5.000 . 5.500 4.173 3.937 4.292 . 0 0 "[ . 1]" 1
267 1 27 ASN HA 1 28 PRO HD2 2.500 . 3.000 1.882 1.848 1.921 . 0 0 "[ . 1]" 1
268 1 27 ASN HA 1 28 PRO HD3 2.500 . 3.000 2.580 2.521 2.663 . 0 0 "[ . 1]" 1
269 1 27 ASN HA 1 28 PRO HG2 3.500 . 4.000 4.056 4.027 4.090 0.090 1 0 "[ . 1]" 1
270 1 27 ASN HB2 1 30 ILE H 5.000 . 5.500 4.205 3.946 4.344 . 0 0 "[ . 1]" 1
271 1 27 ASN HB2 1 30 ILE HB 3.500 . 4.000 3.907 3.543 4.042 0.042 8 0 "[ . 1]" 1
272 1 27 ASN HB2 1 30 ILE MD 5.000 . 6.500 2.972 2.455 3.261 . 0 0 "[ . 1]" 1
273 1 27 ASN HB2 1 30 ILE MG 5.000 . 6.500 4.994 4.661 5.176 . 0 0 "[ . 1]" 1
274 1 27 ASN HB3 1 30 ILE H 3.500 . 4.000 2.624 2.409 2.764 . 0 0 "[ . 1]" 1
275 1 27 ASN HB3 1 30 ILE HB 3.500 . 4.000 3.193 3.066 3.386 . 0 0 "[ . 1]" 1
276 1 27 ASN HB3 1 30 ILE MD 3.500 . 5.000 2.979 2.638 3.327 . 0 0 "[ . 1]" 1
277 1 27 ASN HB3 1 30 ILE HG12 5.000 . 6.500 3.977 3.788 4.193 . 0 0 "[ . 1]" 1
278 1 27 ASN HB3 1 30 ILE HG13 3.500 . 4.000 2.227 2.041 2.432 . 0 0 "[ . 1]" 1
279 1 28 PRO HA 1 29 CYS H 3.500 . 4.000 3.480 3.432 3.505 . 0 0 "[ . 1]" 1
280 1 28 PRO HB2 1 63 CYS H 5.000 . 5.500 3.910 2.745 4.267 . 0 0 "[ . 1]" 1
281 1 28 PRO HB2 1 63 CYS HA 3.500 . 4.000 2.870 2.018 3.258 . 0 0 "[ . 1]" 1
282 1 28 PRO HB2 1 63 CYS HB2 3.500 . 4.000 2.068 1.811 2.659 . 0 0 "[ . 1]" 1
283 1 28 PRO HB3 1 29 CYS H 3.500 . 4.000 4.108 4.055 4.146 0.146 9 0 "[ . 1]" 1
284 1 28 PRO HB3 1 63 CYS H 5.000 . 5.500 5.271 4.282 5.568 0.068 5 0 "[ . 1]" 1
285 1 28 PRO HB3 1 63 CYS HA 5.000 . 5.500 4.217 3.319 4.656 . 0 0 "[ . 1]" 1
286 1 28 PRO HD2 1 29 CYS H 3.500 . 4.000 3.112 2.990 3.151 . 0 0 "[ . 1]" 1
287 1 28 PRO HD3 1 29 CYS H 3.500 . 4.000 4.034 3.952 4.076 0.076 10 0 "[ . 1]" 1
288 1 28 PRO HG2 1 63 CYS HA 3.500 . 4.000 3.305 2.971 3.700 . 0 0 "[ . 1]" 1
289 1 28 PRO HG2 1 63 CYS HB2 5.000 . 5.500 2.892 1.998 3.766 . 0 0 "[ . 1]" 1
290 1 28 PRO HG3 1 63 CYS HA 3.500 . 4.000 3.903 3.340 4.127 0.127 10 0 "[ . 1]" 1
291 1 29 CYS H 1 30 ILE H 2.500 . 3.000 2.541 2.443 2.608 . 0 0 "[ . 1]" 1
292 1 29 CYS H 1 30 ILE MD 5.000 . 6.500 5.241 5.076 5.363 . 0 0 "[ . 1]" 1
293 1 29 CYS H 1 30 ILE HG13 3.500 . 4.000 4.037 3.904 4.100 0.100 5 0 "[ . 1]" 1
294 1 29 CYS H 1 63 CYS HA 5.000 . 5.500 4.696 4.358 5.077 . 0 0 "[ . 1]" 1
295 1 29 CYS H 1 63 CYS HB2 3.500 . 4.000 2.962 2.448 3.436 . 0 0 "[ . 1]" 1
296 1 29 CYS H 1 63 CYS HB3 5.000 . 5.500 4.193 3.277 5.124 . 0 0 "[ . 1]" 1
297 1 29 CYS HA 1 30 ILE H 3.500 . 4.000 3.433 3.400 3.455 . 0 0 "[ . 1]" 1
298 1 29 CYS HA 1 44 GLU H 3.500 . 4.000 3.508 3.286 3.857 . 0 0 "[ . 1]" 1
299 1 29 CYS HA 1 44 GLU HB3 3.500 . 4.000 2.615 2.353 2.881 . 0 0 "[ . 1]" 1
300 1 29 CYS HA 1 63 CYS HB2 2.500 . 3.000 2.678 2.230 2.953 . 0 0 "[ . 1]" 1
301 1 29 CYS HA 1 63 CYS HB3 3.500 . 4.000 2.706 1.908 3.271 . 0 0 "[ . 1]" 1
302 1 29 CYS HB2 1 30 ILE H 3.500 . 4.000 3.143 3.044 3.315 . 0 0 "[ . 1]" 1
303 1 29 CYS HB2 1 30 ILE MD 5.000 . 6.500 4.280 4.102 4.526 . 0 0 "[ . 1]" 1
304 1 29 CYS HB2 1 43 GLN HG2 4.000 . 4.500 3.701 3.201 4.488 . 0 0 "[ . 1]" 1
305 1 29 CYS HB2 1 44 GLU H 5.000 . 5.500 3.116 2.584 3.413 . 0 0 "[ . 1]" 1
306 1 29 CYS HB3 1 30 ILE H 5.000 . 5.500 4.048 3.808 4.322 . 0 0 "[ . 1]" 1
307 1 29 CYS HB3 1 43 GLN HG2 5.000 . 5.500 3.249 2.923 3.933 . 0 0 "[ . 1]" 1
308 1 29 CYS HB3 1 44 GLU H 3.500 . 4.000 1.960 1.815 2.897 . 0 0 "[ . 1]" 1
309 1 29 CYS HB3 1 44 GLU HB2 3.500 . 4.000 3.450 3.200 3.765 . 0 0 "[ . 1]" 1
310 1 29 CYS HB3 1 44 GLU HB3 3.500 . 4.000 1.997 1.817 2.317 . 0 0 "[ . 1]" 1
311 1 29 CYS HB3 1 44 GLU HG3 3.500 . 4.000 4.006 3.865 4.089 0.089 7 0 "[ . 1]" 1
312 1 29 CYS HB3 1 45 LYS H 5.000 . 5.500 5.022 4.678 5.359 . 0 0 "[ . 1]" 1
313 1 30 ILE H 1 31 SER H 5.000 . 5.500 4.407 4.330 4.466 . 0 0 "[ . 1]" 1
314 1 30 ILE H 1 43 GLN HA 5.000 . 5.500 4.323 4.258 4.407 . 0 0 "[ . 1]" 1
315 1 30 ILE H 1 43 GLN HB2 5.000 . 5.500 5.524 5.425 5.566 0.066 6 0 "[ . 1]" 1
316 1 30 ILE HA 1 31 SER H 2.500 . 3.000 2.115 2.099 2.140 . 0 0 "[ . 1]" 1
317 1 30 ILE HA 1 43 GLN HA 5.000 . 5.500 2.338 2.165 2.438 . 0 0 "[ . 1]" 1
318 1 30 ILE HA 1 44 GLU H 3.500 . 4.000 3.872 3.518 4.024 0.024 2 0 "[ . 1]" 1
319 1 30 ILE MD 1 41 CYS HB2 5.000 . 6.500 5.205 5.039 5.339 . 0 0 "[ . 1]" 1
320 1 30 ILE MD 1 43 GLN H 5.000 . 6.500 5.018 4.614 5.256 . 0 0 "[ . 1]" 1
321 1 30 ILE MD 1 43 GLN HA 3.500 . 5.000 3.906 3.578 4.025 . 0 0 "[ . 1]" 1
322 1 30 ILE MD 1 43 GLN HB2 3.500 . 5.000 2.589 2.360 2.736 . 0 0 "[ . 1]" 1
323 1 30 ILE MD 1 43 GLN HB3 5.000 . 6.500 3.903 3.663 4.062 . 0 0 "[ . 1]" 1
324 1 30 ILE MD 1 43 GLN HG2 3.500 . 5.000 4.025 3.934 4.079 . 0 0 "[ . 1]" 1
325 1 30 ILE MD 1 43 GLN HG3 5.000 . 6.500 2.739 2.564 2.850 . 0 0 "[ . 1]" 1
326 1 30 ILE MD 1 44 GLU H 5.000 . 6.500 4.847 4.630 5.007 . 0 0 "[ . 1]" 1
327 1 30 ILE HG12 1 44 GLU H 5.000 . 5.500 3.646 3.353 3.770 . 0 0 "[ . 1]" 1
328 1 30 ILE HG13 1 31 SER H 5.000 . 5.500 5.081 4.975 5.172 . 0 0 "[ . 1]" 1
329 1 30 ILE MG 1 31 SER H 2.500 . 4.000 2.301 1.923 2.624 . 0 0 "[ . 1]" 1
330 1 30 ILE MG 1 32 CYS H 5.000 . 6.500 4.674 4.503 4.904 . 0 0 "[ . 1]" 1
331 1 30 ILE MG 1 41 CYS H 5.000 . 6.500 5.466 5.401 5.552 . 0 0 "[ . 1]" 1
332 1 30 ILE MG 1 41 CYS HA 5.000 . 6.500 3.882 3.684 4.086 . 0 0 "[ . 1]" 1
333 1 30 ILE MG 1 41 CYS HB2 2.500 . 4.000 3.359 3.057 3.473 . 0 0 "[ . 1]" 1
334 1 30 ILE MG 1 41 CYS HB3 3.500 . 5.000 2.558 2.421 3.007 . 0 0 "[ . 1]" 1
335 1 30 ILE MG 1 42 LYS H 3.500 . 5.000 3.025 2.767 3.317 . 0 0 "[ . 1]" 1
336 1 30 ILE MG 1 42 LYS HA 5.000 . 6.500 4.194 3.518 4.530 . 0 0 "[ . 1]" 1
337 1 30 ILE MG 1 43 GLN H 5.000 . 6.500 4.262 3.693 4.514 . 0 0 "[ . 1]" 1
338 1 30 ILE MG 1 43 GLN HA 3.500 . 5.000 3.350 2.811 3.511 . 0 0 "[ . 1]" 1
339 1 30 ILE MG 1 43 GLN HB3 5.000 . 6.500 4.510 4.269 4.734 . 0 0 "[ . 1]" 1
340 1 30 ILE MG 1 43 GLN HG2 5.000 . 6.500 5.182 5.041 5.291 . 0 0 "[ . 1]" 1
341 1 31 SER H 1 32 CYS H 5.000 . 5.500 4.403 4.311 4.461 . 0 0 "[ . 1]" 1
342 1 31 SER H 1 32 CYS HA 5.000 . 5.500 4.580 4.495 4.631 . 0 0 "[ . 1]" 1
343 1 31 SER H 1 41 CYS HA 3.500 . 4.000 3.910 3.725 4.046 0.046 3 0 "[ . 1]" 1
344 1 31 SER H 1 41 CYS HB2 5.000 . 5.500 5.106 4.735 5.516 0.016 1 0 "[ . 1]" 1
345 1 31 SER H 1 42 LYS H 3.500 . 4.000 2.633 2.481 2.843 . 0 0 "[ . 1]" 1
346 1 31 SER H 1 43 GLN HA 3.500 . 4.000 3.983 3.787 4.056 0.056 6 0 "[ . 1]" 1
347 1 31 SER HA 1 32 CYS H 2.500 . 3.000 2.446 2.325 2.596 . 0 0 "[ . 1]" 1
348 1 31 SER HB2 1 32 CYS H 3.500 . 4.000 3.437 2.448 4.067 0.067 6 0 "[ . 1]" 1
349 1 31 SER HB3 1 32 CYS H 3.500 . 4.000 3.828 2.936 4.059 0.059 9 0 "[ . 1]" 1
350 1 31 SER HB3 1 42 LYS H 5.000 . 5.500 4.850 4.062 5.560 0.060 9 0 "[ . 1]" 1
351 1 32 CYS H 1 33 VAL H 5.000 . 5.500 4.339 4.267 4.459 . 0 0 "[ . 1]" 1
352 1 32 CYS H 1 33 VAL QG 5.000 . 7.500 5.059 4.939 5.154 . 0 0 "[ . 1]" 1
353 1 32 CYS H 1 34 CYS HA 6.000 . 6.500 7.684 7.474 8.003 1.503 9 10 [****-***+*] 1
354 1 32 CYS H 1 41 CYS HA 5.000 . 5.500 4.171 4.003 4.252 . 0 0 "[ . 1]" 1
355 1 32 CYS HA 1 33 VAL H 2.500 . 3.000 2.249 2.193 2.331 . 0 0 "[ . 1]" 1
356 1 32 CYS HA 1 33 VAL HA 5.000 . 5.500 4.357 4.327 4.389 . 0 0 "[ . 1]" 1
357 1 32 CYS HA 1 33 VAL HB 5.000 . 5.500 4.437 4.183 4.532 . 0 0 "[ . 1]" 1
358 1 32 CYS HA 1 33 VAL QG 3.500 . 6.000 4.131 3.937 4.254 . 0 0 "[ . 1]" 1
359 1 32 CYS HA 1 39 ALA MB 5.000 . 6.500 4.029 3.820 4.742 . 0 0 "[ . 1]" 1
360 1 32 CYS HA 1 40 GLU H 5.000 . 5.500 4.188 4.005 4.328 . 0 0 "[ . 1]" 1
361 1 32 CYS HA 1 41 CYS HA 2.500 . 3.000 1.779 1.736 1.803 0.064 6 0 "[ . 1]" 1
362 1 32 CYS HA 1 41 CYS HB2 . . 4.000 4.220 4.134 4.310 0.310 6 0 "[ . 1]" 1
363 1 32 CYS HA 1 41 CYS HB3 5.000 . 5.500 3.235 2.849 3.487 . 0 0 "[ . 1]" 1
364 1 32 CYS HA 1 42 LYS H 3.500 . 4.000 3.635 3.512 3.757 . 0 0 "[ . 1]" 1
365 1 32 CYS HB2 1 33 VAL H 3.500 . 4.000 3.991 3.600 4.205 0.205 3 0 "[ . 1]" 1
366 1 32 CYS HB2 1 40 GLU H 5.000 . 5.500 4.915 4.400 5.308 . 0 0 "[ . 1]" 1
367 1 32 CYS HB2 1 41 CYS H 5.000 . 5.500 5.140 4.393 5.527 0.027 4 0 "[ . 1]" 1
368 1 32 CYS HB2 1 41 CYS HA 5.000 . 5.500 4.270 3.263 4.575 . 0 0 "[ . 1]" 1
369 1 32 CYS HB3 1 33 VAL H 3.500 . 4.000 3.197 2.705 3.701 . 0 0 "[ . 1]" 1
370 1 32 CYS HB3 1 40 GLU H 5.000 . 5.500 3.698 3.139 4.754 . 0 0 "[ . 1]" 1
371 1 32 CYS HB3 1 41 CYS H 5.000 . 5.500 4.002 3.062 5.357 . 0 0 "[ . 1]" 1
372 1 32 CYS HB3 1 41 CYS HA 6.000 . 6.500 3.818 3.457 4.372 . 0 0 "[ . 1]" 1
373 1 33 VAL H 1 34 CYS H 5.000 . 5.500 4.222 4.126 4.286 . 0 0 "[ . 1]" 1
374 1 33 VAL H 1 39 ALA HA 3.500 . 4.000 3.811 3.373 4.067 0.067 3 0 "[ . 1]" 1
375 1 33 VAL H 1 39 ALA MB 5.000 . 6.500 4.228 3.946 4.400 . 0 0 "[ . 1]" 1
376 1 33 VAL H 1 40 GLU H 3.500 . 4.000 2.586 2.173 2.830 . 0 0 "[ . 1]" 1
377 1 33 VAL H 1 40 GLU HB2 3.500 . 4.000 3.454 3.197 3.603 . 0 0 "[ . 1]" 1
378 1 33 VAL H 1 40 GLU HB3 3.500 . 4.000 2.385 2.188 2.561 . 0 0 "[ . 1]" 1
379 1 33 VAL H 1 40 GLU QG 5.000 . 6.500 4.104 3.921 4.261 . 0 0 "[ . 1]" 1
380 1 33 VAL H 1 41 CYS HA 3.500 . 4.000 3.447 3.332 3.643 . 0 0 "[ . 1]" 1
381 1 33 VAL H 1 42 LYS HG3 5.000 . 5.500 5.173 4.921 5.527 0.027 3 0 "[ . 1]" 1
382 1 33 VAL HA 1 34 CYS H 2.500 . 3.000 1.968 1.930 2.001 . 0 0 "[ . 1]" 1
383 1 33 VAL HA 1 34 CYS HB3 5.000 . 5.500 4.825 4.463 5.461 . 0 0 "[ . 1]" 1
384 1 33 VAL HA 1 40 GLU H 3.500 . 4.000 4.020 3.875 4.107 0.107 10 0 "[ . 1]" 1
385 1 33 VAL HB 1 34 CYS H 3.500 . 3.500 3.974 3.903 3.997 0.497 4 0 "[ . 1]" 1
386 1 33 VAL HB 1 40 GLU H 5.000 . 5.500 4.987 4.782 5.107 . 0 0 "[ . 1]" 1
387 1 33 VAL QG 1 34 CYS H 2.500 . 5.000 2.009 1.869 2.167 . 0 0 "[ . 1]" 1
388 1 33 VAL QG 1 35 LEU H 3.500 . 5.000 3.350 3.152 3.520 . 0 0 "[ . 1]" 1
389 1 33 VAL QG 1 38 LYS H 5.000 . 7.500 5.561 5.452 5.616 . 0 0 "[ . 1]" 1
390 1 33 VAL QG 1 40 GLU H 3.500 . 6.000 3.202 3.099 3.332 . 0 0 "[ . 1]" 1
391 1 33 VAL QG 1 41 CYS HA 5.000 . 7.500 4.765 4.566 5.114 . 0 0 "[ . 1]" 1
392 1 33 VAL MG1 1 41 CYS H 5.000 . 6.500 5.266 5.191 5.380 . 0 0 "[ . 1]" 1
393 1 33 VAL MG2 1 34 CYS H 2.500 . 4.000 2.022 1.876 2.199 . 0 0 "[ . 1]" 1
394 1 34 CYS H 1 35 LEU H 5.000 . 5.500 4.076 3.998 4.156 . 0 0 "[ . 1]" 1
395 1 34 CYS HA 1 35 LEU H 3.500 . 4.000 2.339 2.234 2.475 . 0 0 "[ . 1]" 1
396 1 34 CYS HA 1 38 LYS H 3.500 . 4.000 3.504 3.418 3.614 . 0 0 "[ . 1]" 1
397 1 34 CYS HA 1 39 ALA HA 5.000 . 5.500 2.897 2.705 3.209 . 0 0 "[ . 1]" 1
398 1 34 CYS HA 1 39 ALA MB 5.000 . 6.500 4.347 4.194 4.610 . 0 0 "[ . 1]" 1
399 1 34 CYS HB2 1 35 LEU H 5.000 . 5.500 4.545 4.396 4.649 . 0 0 "[ . 1]" 1
400 1 34 CYS HB3 1 35 LEU H 5.000 . 5.500 4.406 4.181 4.517 . 0 0 "[ . 1]" 1
401 1 34 CYS HB3 1 38 LYS H 5.000 . 5.500 5.015 4.087 5.448 . 0 0 "[ . 1]" 1
402 1 35 LEU H 1 36 ASN H 5.000 . 5.500 4.432 4.349 4.526 . 0 0 "[ . 1]" 1
403 1 35 LEU H 1 36 ASN HB2 5.000 . 5.500 5.447 5.323 5.602 0.102 4 0 "[ . 1]" 1
404 1 35 LEU H 1 37 GLN H 5.000 . 5.500 4.412 4.269 4.562 . 0 0 "[ . 1]" 1
405 1 35 LEU H 1 37 GLN HA 5.000 . 5.500 5.186 5.063 5.328 . 0 0 "[ . 1]" 1
406 1 35 LEU H 1 38 LYS H 2.500 . 3.000 2.938 2.856 3.043 0.043 9 0 "[ . 1]" 1
407 1 35 LEU H 1 38 LYS HA 5.000 . 5.500 4.620 4.527 4.757 . 0 0 "[ . 1]" 1
408 1 35 LEU H 1 38 LYS HB2 5.000 . 5.500 3.807 3.610 3.991 . 0 0 "[ . 1]" 1
409 1 35 LEU H 1 38 LYS HB3 5.000 . 5.500 4.773 4.651 4.909 . 0 0 "[ . 1]" 1
410 1 35 LEU H 1 38 LYS QD 6.000 . 7.500 5.782 5.552 5.972 . 0 0 "[ . 1]" 1
411 1 35 LEU H 1 39 ALA HA 3.500 . 4.000 3.408 3.226 3.460 . 0 0 "[ . 1]" 1
412 1 35 LEU H 1 39 ALA MB 5.000 . 6.500 4.782 4.630 4.823 . 0 0 "[ . 1]" 1
413 1 35 LEU H 1 40 GLU HA 3.500 . 4.000 4.220 4.167 4.265 0.265 5 0 "[ . 1]" 1
414 1 35 LEU H 1 40 GLU HB2 5.000 . 5.500 2.554 2.500 2.610 . 0 0 "[ . 1]" 1
415 1 35 LEU H 1 40 GLU HB3 5.000 . 5.500 3.888 3.726 3.946 . 0 0 "[ . 1]" 1
416 1 35 LEU H 1 40 GLU QG 5.000 . 6.500 4.428 4.335 4.503 . 0 0 "[ . 1]" 1
417 1 35 LEU HA 1 36 ASN H 3.500 . 4.000 2.163 2.141 2.180 . 0 0 "[ . 1]" 1
418 1 35 LEU HA 1 37 GLN H 3.500 . 4.000 3.849 3.752 3.966 . 0 0 "[ . 1]" 1
419 1 35 LEU HA 1 38 LYS H 3.500 . 4.000 4.043 4.026 4.071 0.071 5 0 "[ . 1]" 1
420 1 35 LEU HA 1 40 GLU H 5.000 . 5.500 4.879 4.756 5.130 . 0 0 "[ . 1]" 1
421 1 35 LEU HA 1 40 GLU HB2 3.500 . 4.000 3.711 3.563 3.799 . 0 0 "[ . 1]" 1
422 1 35 LEU HB2 1 36 ASN HB2 5.000 . 5.500 5.271 4.937 5.391 . 0 0 "[ . 1]" 1
423 1 35 LEU HB2 1 40 GLU H 5.000 . 5.500 3.896 3.755 4.204 . 0 0 "[ . 1]" 1
424 1 35 LEU HB2 1 40 GLU QG 2.500 . 4.000 2.836 2.621 2.978 . 0 0 "[ . 1]" 1
425 1 35 LEU HB3 1 36 ASN H 5.000 . 5.500 4.341 4.267 4.446 . 0 0 "[ . 1]" 1
426 1 35 LEU HB3 1 36 ASN HB2 5.000 . 5.500 4.477 4.389 4.599 . 0 0 "[ . 1]" 1
427 1 35 LEU HB3 1 38 LYS H . . 4.000 4.023 3.962 4.096 0.096 9 0 "[ . 1]" 1
428 1 35 LEU HB3 1 40 GLU H 5.000 . 5.500 3.194 3.099 3.367 . 0 0 "[ . 1]" 1
429 1 35 LEU HB3 1 40 GLU HB2 2.500 . 3.000 1.824 1.778 1.871 0.022 3 0 "[ . 1]" 1
430 1 35 LEU HB3 1 40 GLU HB3 3.500 . 4.000 3.549 3.514 3.585 . 0 0 "[ . 1]" 1
431 1 35 LEU HB3 1 40 GLU QG 3.500 . 5.000 2.713 2.546 2.967 . 0 0 "[ . 1]" 1
432 1 35 LEU QD 1 36 ASN H 5.000 . 7.500 2.605 1.977 3.014 . 0 0 "[ . 1]" 1
433 1 35 LEU QD 1 36 ASN HA 5.000 . 7.500 4.021 3.344 4.335 . 0 0 "[ . 1]" 1
434 1 35 LEU QD 1 38 LYS H 5.000 . 7.500 4.577 4.246 4.687 . 0 0 "[ . 1]" 1
435 1 35 LEU QD 1 40 GLU H 5.000 . 7.500 4.320 4.206 4.573 . 0 0 "[ . 1]" 1
436 1 35 LEU QD 1 40 GLU QG 2.500 . 6.000 1.812 1.716 1.876 0.084 1 0 "[ . 1]" 1
437 1 35 LEU QD 1 41 CYS H 5.000 . 7.500 5.102 5.024 5.200 . 0 0 "[ . 1]" 1
438 1 35 LEU HG 1 36 ASN HB2 3.500 . 4.000 2.556 2.388 2.665 . 0 0 "[ . 1]" 1
439 1 35 LEU HG 1 36 ASN HB3 3.500 . 4.000 4.048 3.555 4.132 0.132 9 0 "[ . 1]" 1
440 1 35 LEU HG 1 40 GLU H 5.000 . 5.500 5.662 5.621 5.764 0.264 9 0 "[ . 1]" 1
441 1 35 LEU HG 1 40 GLU QG 3.500 . 5.000 4.088 3.942 4.189 . 0 0 "[ . 1]" 1
442 1 36 ASN H 1 37 GLN H . . 4.000 2.850 2.786 2.924 . 0 0 "[ . 1]" 1
443 1 36 ASN H 1 37 GLN HA 5.000 . 5.500 5.101 5.042 5.173 . 0 0 "[ . 1]" 1
444 1 36 ASN HA 1 37 GLN H . . 3.000 2.771 2.740 2.812 . 0 0 "[ . 1]" 1
445 1 36 ASN HA 1 37 GLN HG2 5.000 . 5.500 5.119 3.696 5.469 . 0 0 "[ . 1]" 1
446 1 36 ASN HA 1 37 GLN HG3 5.000 . 5.500 3.895 3.528 5.357 . 0 0 "[ . 1]" 1
447 1 36 ASN HA 1 38 LYS H 4.500 . 5.000 4.450 4.385 4.630 . 0 0 "[ . 1]" 1
448 1 36 ASN HB2 1 37 GLN H 5.000 . 5.500 4.273 4.195 4.487 . 0 0 "[ . 1]" 1
449 1 36 ASN HB3 1 38 LYS H 5.000 . 5.500 4.893 4.082 5.270 . 0 0 "[ . 1]" 1
450 1 36 ASN HB3 1 38 LYS HB2 5.000 . 5.500 4.721 3.724 4.972 . 0 0 "[ . 1]" 1
451 1 37 GLN H 1 38 LYS H . . 3.000 2.523 2.436 2.579 . 0 0 "[ . 1]" 1
452 1 37 GLN HA 1 38 LYS H 2.500 . 3.000 2.837 2.704 2.905 . 0 0 "[ . 1]" 1
453 1 37 GLN HA 1 38 LYS HB2 5.000 . 5.500 5.404 5.322 5.458 . 0 0 "[ . 1]" 1
454 1 37 GLN HB2 1 38 LYS H . . 4.000 4.053 3.964 4.160 0.160 9 0 "[ . 1]" 1
455 1 37 GLN HB3 1 38 LYS H . . 4.000 4.316 4.283 4.349 0.349 9 0 "[ . 1]" 1
456 1 37 GLN HB3 1 38 LYS QG 5.000 . 6.500 4.046 3.951 4.123 . 0 0 "[ . 1]" 1
457 1 37 GLN HG2 1 38 LYS H 5.000 . 5.500 5.145 4.934 5.265 . 0 0 "[ . 1]" 1
458 1 37 GLN HG3 1 38 LYS H 5.000 . 5.500 4.992 4.818 5.799 0.299 10 0 "[ . 1]" 1
459 1 38 LYS H 1 39 ALA H 5.000 . 5.500 4.351 4.214 4.397 . 0 0 "[ . 1]" 1
460 1 38 LYS H 1 39 ALA MB 5.000 . 6.500 5.435 5.380 5.481 . 0 0 "[ . 1]" 1
461 1 38 LYS H 1 40 GLU HB2 5.000 . 5.500 5.187 5.077 5.293 . 0 0 "[ . 1]" 1
462 1 38 LYS HA 1 39 ALA H 2.500 . 3.000 2.276 2.154 2.487 . 0 0 "[ . 1]" 1
463 1 38 LYS HA 1 39 ALA MB 3.500 . 5.000 3.980 3.950 4.012 . 0 0 "[ . 1]" 1
464 1 38 LYS HB2 1 39 ALA H 3.500 . 4.000 3.896 3.430 4.132 0.132 10 0 "[ . 1]" 1
465 1 38 LYS QG 1 39 ALA H 3.500 . 5.000 4.019 3.854 4.111 . 0 0 "[ . 1]" 1
466 1 39 ALA H 1 40 GLU H 5.000 . 5.500 4.169 4.081 4.380 . 0 0 "[ . 1]" 1
467 1 39 ALA HA 1 40 GLU H . . 3.000 2.232 2.102 2.292 . 0 0 "[ . 1]" 1
468 1 39 ALA HA 1 40 GLU HB3 5.000 . 5.500 4.937 4.852 5.055 . 0 0 "[ . 1]" 1
469 1 39 ALA HA 1 41 CYS H 5.000 . 5.500 4.851 4.260 5.175 . 0 0 "[ . 1]" 1
470 1 39 ALA MB 1 40 GLU H 3.500 . 5.000 3.529 3.336 3.599 . 0 0 "[ . 1]" 1
471 1 39 ALA MB 1 40 GLU HA 3.500 . 5.000 4.327 4.225 4.388 . 0 0 "[ . 1]" 1
472 1 39 ALA MB 1 41 CYS H 5.000 . 6.500 3.736 3.125 4.098 . 0 0 "[ . 1]" 1
473 1 39 ALA MB 1 41 CYS HA 5.000 . 6.500 4.762 4.416 5.129 . 0 0 "[ . 1]" 1
474 1 40 GLU H 1 41 CYS HA 5.000 . 5.500 5.105 4.930 5.226 . 0 0 "[ . 1]" 1
475 1 40 GLU HA 1 41 CYS H 2.500 . 3.000 2.320 2.206 2.498 . 0 0 "[ . 1]" 1
476 1 40 GLU HB2 1 41 CYS H 4.000 . 4.500 4.605 4.575 4.626 0.126 7 0 "[ . 1]" 1
477 1 40 GLU HB3 1 41 CYS H 4.000 . 4.500 4.285 4.215 4.339 . 0 0 "[ . 1]" 1
478 1 40 GLU QG 1 41 CYS H 3.500 . 5.000 3.739 3.505 4.133 . 0 0 "[ . 1]" 1
479 1 40 GLU QG 1 41 CYS HA 5.000 . 6.500 4.634 4.394 4.924 . 0 0 "[ . 1]" 1
480 1 41 CYS H 1 42 LYS H 5.000 . 5.500 4.521 4.482 4.545 . 0 0 "[ . 1]" 1
481 1 41 CYS HA 1 42 LYS H 2.500 . 3.000 2.144 2.077 2.238 . 0 0 "[ . 1]" 1
482 1 41 CYS HA 1 42 LYS HB2 5.000 . 5.500 4.361 4.216 4.474 . 0 0 "[ . 1]" 1
483 1 41 CYS HA 1 42 LYS QD 5.000 . 5.500 4.916 4.881 4.967 . 0 0 "[ . 1]" 1
484 1 41 CYS HA 1 42 LYS HG2 5.000 . 5.500 4.954 4.736 5.217 . 0 0 "[ . 1]" 1
485 1 41 CYS HA 1 42 LYS HG3 5.000 . 5.500 3.444 3.281 3.692 . 0 0 "[ . 1]" 1
486 1 41 CYS HB2 1 42 LYS H 3.500 . 4.000 3.449 3.278 3.790 . 0 0 "[ . 1]" 1
487 1 41 CYS HB3 1 42 LYS H 3.500 . 4.000 2.817 2.508 3.292 . 0 0 "[ . 1]" 1
488 1 41 CYS HB3 1 42 LYS HA 5.000 . 5.500 4.731 4.573 5.108 . 0 0 "[ . 1]" 1
489 1 42 LYS H 1 43 GLN H 5.000 . 5.500 4.293 4.225 4.384 . 0 0 "[ . 1]" 1
490 1 42 LYS HA 1 43 GLN H 3.500 . 4.000 2.256 2.198 2.343 . 0 0 "[ . 1]" 1
491 1 42 LYS HB2 1 43 GLN H . . 4.000 3.967 3.635 4.049 0.049 5 0 "[ . 1]" 1
492 1 42 LYS HB3 1 43 GLN H . . 4.000 3.008 2.709 3.156 . 0 0 "[ . 1]" 1
493 1 42 LYS QD 1 43 GLN H 5.000 . 6.500 5.186 4.853 5.452 . 0 0 "[ . 1]" 1
494 1 42 LYS HG2 1 43 GLN H 5.000 . 5.500 4.395 4.253 4.544 . 0 0 "[ . 1]" 1
495 1 42 LYS HG3 1 43 GLN H 5.000 . 5.500 5.014 4.932 5.124 . 0 0 "[ . 1]" 1
496 1 43 GLN H 1 44 GLU H 5.000 . 5.500 4.501 4.466 4.527 . 0 0 "[ . 1]" 1
497 1 43 GLN H 1 44 GLU HA 5.000 . 5.500 5.060 5.003 5.154 . 0 0 "[ . 1]" 1
498 1 43 GLN HA 1 44 GLU H . . 3.000 2.258 2.198 2.338 . 0 0 "[ . 1]" 1
499 1 43 GLN HA 1 44 GLU HA 5.000 . 5.500 4.350 4.329 4.367 . 0 0 "[ . 1]" 1
500 1 43 GLN HA 1 44 GLU HB2 5.000 . 5.500 4.487 4.372 4.591 . 0 0 "[ . 1]" 1
501 1 43 GLN HB2 1 44 GLU H 3.500 . 4.000 3.942 3.846 4.023 0.023 3 0 "[ . 1]" 1
502 1 43 GLN HB3 1 44 GLU H 5.000 . 5.500 3.832 3.672 3.952 . 0 0 "[ . 1]" 1
503 1 43 GLN HG2 1 44 GLU HA 3.500 . 4.000 3.963 3.832 4.046 0.046 2 0 "[ . 1]" 1
504 1 44 GLU H 1 45 LYS H . . 4.000 4.392 4.363 4.412 0.412 10 0 "[ . 1]" 1
505 1 44 GLU HA 1 45 LYS H 2.500 . 3.000 2.090 2.064 2.119 . 0 0 "[ . 1]" 1
506 1 44 GLU HA 1 45 LYS HB2 5.000 . 5.500 4.523 4.365 5.540 0.040 5 0 "[ . 1]" 1
507 1 44 GLU HA 1 45 LYS HB3 5.000 . 5.500 4.728 4.401 5.571 0.071 9 0 "[ . 1]" 1
508 1 44 GLU HB2 1 45 LYS H 3.500 . 4.000 3.910 3.825 4.015 0.015 7 0 "[ . 1]" 1
509 1 44 GLU HB2 1 64 CYS H 5.000 . 5.500 5.505 5.358 5.580 0.080 7 0 "[ . 1]" 1
510 1 44 GLU HB3 1 45 LYS H 4.000 . 4.000 3.991 3.944 4.021 0.021 1 0 "[ . 1]" 1
511 1 44 GLU HG2 1 45 LYS H . . 4.000 4.020 3.961 4.060 0.060 1 0 "[ . 1]" 1
512 1 44 GLU HG2 1 46 CYS H 5.000 . 5.500 5.594 5.562 5.641 0.141 5 0 "[ . 1]" 1
513 1 44 GLU HG3 1 45 LYS H 3.500 . 4.000 2.507 2.329 2.609 . 0 0 "[ . 1]" 1
514 1 44 GLU HG3 1 46 CYS H 5.000 . 5.500 4.118 4.033 4.263 . 0 0 "[ . 1]" 1
515 1 45 LYS H 1 46 CYS H 5.000 . 5.500 4.286 4.217 4.383 . 0 0 "[ . 1]" 1
516 1 45 LYS H 1 46 CYS HA 5.000 . 5.500 4.842 4.747 4.926 . 0 0 "[ . 1]" 1
517 1 45 LYS HA 1 46 CYS H . . 3.000 2.089 2.059 2.116 . 0 0 "[ . 1]" 1
518 1 45 LYS HA 1 46 CYS HB3 5.000 . 5.500 5.581 5.517 5.623 0.123 3 0 "[ . 1]" 1
519 1 45 LYS HB2 1 46 CYS H 3.500 . 4.000 4.029 3.150 4.169 0.169 9 0 "[ . 1]" 1
520 1 45 LYS HB3 1 46 CYS H 3.500 . 4.000 3.876 3.091 4.074 0.074 5 0 "[ . 1]" 1
521 1 45 LYS QG 1 46 CYS H 3.500 . 5.000 3.053 2.561 4.094 . 0 0 "[ . 1]" 1
522 1 45 LYS QG 1 47 ALA H 5.000 . 6.500 4.851 4.442 5.109 . 0 0 "[ . 1]" 1
523 1 46 CYS HA 1 47 ALA H 2.500 . 3.000 2.471 2.165 3.251 0.251 3 0 "[ . 1]" 1
524 1 46 CYS HB2 1 47 ALA H . . 4.000 3.683 3.364 4.034 0.034 5 0 "[ . 1]" 1
525 1 46 CYS HB3 1 47 ALA H 3.500 . 4.000 3.057 2.669 4.091 0.091 9 0 "[ . 1]" 1
526 1 46 CYS HB3 1 47 ALA HA 5.000 . 5.500 4.718 4.103 5.099 . 0 0 "[ . 1]" 1
527 1 46 CYS HB3 1 47 ALA MB 5.000 . 6.500 4.769 4.381 5.318 . 0 0 "[ . 1]" 1
528 1 46 CYS HB3 1 65 GLU H 5.000 . 5.500 4.152 3.225 5.252 . 0 0 "[ . 1]" 1
529 1 47 ALA H 1 48 PRO HD2 5.000 . 5.500 4.685 3.860 5.351 . 0 0 "[ . 1]" 1
530 1 47 ALA H 1 48 PRO HD3 5.000 . 5.500 4.534 2.712 5.149 . 0 0 "[ . 1]" 1
531 1 47 ALA HA 1 48 PRO HD2 2.500 . 3.000 2.573 1.973 3.046 0.046 3 0 "[ . 1]" 1
532 1 47 ALA HA 1 48 PRO HD3 . . 3.000 2.437 1.809 2.954 . 0 0 "[ . 1]" 1
533 1 47 ALA MB 1 48 PRO HA 5.000 . 6.500 4.430 4.298 4.570 . 0 0 "[ . 1]" 1
534 1 47 ALA MB 1 48 PRO HD2 3.500 . 5.000 2.504 1.703 3.931 0.097 3 0 "[ . 1]" 1
535 1 47 ALA MB 1 48 PRO HD3 3.500 . 5.000 3.260 2.606 4.211 . 0 0 "[ . 1]" 1
536 1 48 PRO HA 1 49 LEU H . . 3.000 2.269 2.115 2.539 . 0 0 "[ . 1]" 1
537 1 48 PRO HA 1 49 LEU HB2 5.000 . 5.500 5.309 4.734 5.620 0.120 6 0 "[ . 1]" 1
538 1 48 PRO HA 1 49 LEU QD 5.000 . 7.500 3.036 2.133 3.953 . 0 0 "[ . 1]" 1
539 1 48 PRO HA 1 49 LEU HG . . 4.000 3.899 3.506 4.286 0.286 1 0 "[ . 1]" 1
540 1 48 PRO HB2 1 49 LEU H 3.500 . 4.000 3.193 2.443 3.818 . 0 0 "[ . 1]" 1
541 1 48 PRO HB3 1 49 LEU H 3.500 . 4.000 3.391 2.673 4.069 0.069 5 0 "[ . 1]" 1
542 1 48 PRO QD 1 49 LEU H 5.000 . 6.500 4.918 4.595 5.007 . 0 0 "[ . 1]" 1
543 1 48 PRO HG2 1 49 LEU H 5.000 . 5.500 4.942 4.637 5.345 . 0 0 "[ . 1]" 1
544 1 49 LEU H 1 50 ALA HA 5.000 . 5.500 5.384 4.814 5.850 0.350 3 0 "[ . 1]" 1
545 1 49 LEU HA 1 50 ALA H . . 3.000 2.927 2.562 3.442 0.442 4 0 "[ . 1]" 1
546 1 49 LEU HA 1 51 GLU HB2 6.000 . 6.500 6.183 5.346 6.690 0.190 9 0 "[ . 1]" 1
547 1 49 LEU HA 1 66 LYS QG 5.000 . 6.500 4.487 1.814 5.958 . 0 0 "[ . 1]" 1
548 1 49 LEU HB2 1 50 ALA H 3.500 . 4.000 1.787 1.761 1.831 0.039 9 0 "[ . 1]" 1
549 1 49 LEU HB2 1 53 CYS HB2 3.500 . 4.000 3.162 2.233 4.267 0.267 6 0 "[ . 1]" 1
550 1 49 LEU HB2 1 53 CYS HB3 3.500 . 4.000 3.554 2.855 3.959 . 0 0 "[ . 1]" 1
551 1 49 LEU HB2 1 67 CYS HB2 3.500 . 4.000 3.291 2.252 4.261 0.261 8 0 "[ . 1]" 1
552 1 49 LEU HB3 1 50 ALA H 3.500 . 4.000 2.909 2.150 3.389 . 0 0 "[ . 1]" 1
553 1 49 LEU HB3 1 53 CYS HB3 5.000 . 5.500 5.018 4.050 5.669 0.169 7 0 "[ . 1]" 1
554 1 49 LEU QD 1 50 ALA H 5.000 . 7.500 3.105 2.184 3.590 . 0 0 "[ . 1]" 1
555 1 49 LEU QD 1 53 CYS H 5.000 . 7.500 4.670 2.172 5.885 . 0 0 "[ . 1]" 1
556 1 49 LEU QD 1 53 CYS HB3 3.500 . 6.000 3.462 1.787 4.339 0.013 8 0 "[ . 1]" 1
557 1 49 LEU QD 1 67 CYS HB2 2.500 . 5.000 2.690 1.699 4.042 0.101 3 0 "[ . 1]" 1
558 1 49 LEU QD 1 67 CYS HB3 2.500 . 5.000 2.687 1.738 3.732 0.062 3 0 "[ . 1]" 1
559 1 49 LEU HG 1 50 ALA H 3.500 . 4.000 3.840 3.441 4.085 0.085 6 0 "[ . 1]" 1
560 1 49 LEU HG 1 53 CYS HB2 3.500 . 4.000 4.072 3.723 4.357 0.357 3 0 "[ . 1]" 1
561 1 50 ALA H 1 51 GLU H 5.000 . 5.500 3.652 2.274 4.591 . 0 0 "[ . 1]" 1
562 1 50 ALA H 1 53 CYS HB2 5.000 . 5.500 3.241 1.873 4.814 . 0 0 "[ . 1]" 1
563 1 50 ALA H 1 53 CYS HB3 3.500 . 4.000 3.333 1.918 4.109 0.109 2 0 "[ . 1]" 1
564 1 50 ALA H 1 67 CYS HB2 5.000 . 5.500 4.276 1.836 5.350 . 0 0 "[ . 1]" 1
565 1 50 ALA H 1 67 CYS HB3 5.000 . 5.500 3.692 2.445 5.119 . 0 0 "[ . 1]" 1
566 1 50 ALA HA 1 51 GLU H . . 3.000 2.895 2.123 3.350 0.350 1 0 "[ . 1]" 1
567 1 50 ALA HA 1 52 ASP H 3.500 . 4.000 3.401 2.695 4.093 0.093 2 0 "[ . 1]" 1
568 1 50 ALA MB 1 51 GLU H 3.500 . 5.000 2.642 1.775 3.345 0.025 5 0 "[ . 1]" 1
569 1 50 ALA MB 1 51 GLU HA 5.000 . 6.500 4.263 3.672 4.743 . 0 0 "[ . 1]" 1
570 1 50 ALA MB 1 52 ASP H 2.500 . 4.000 2.821 2.414 3.390 . 0 0 "[ . 1]" 1
571 1 50 ALA MB 1 53 CYS H 3.500 . 5.000 2.847 1.831 3.513 . 0 0 "[ . 1]" 1
572 1 50 ALA MB 1 53 CYS HB2 2.500 . 4.000 3.156 2.182 3.464 . 0 0 "[ . 1]" 1
573 1 50 ALA MB 1 53 CYS HB3 3.500 . 5.000 2.865 1.717 4.103 0.083 1 0 "[ . 1]" 1
574 1 50 ALA MB 1 67 CYS HB3 5.000 . 6.500 4.030 3.245 5.489 . 0 0 "[ . 1]" 1
575 1 51 GLU H 1 52 ASP H 3.500 . 4.000 2.569 2.007 2.935 . 0 0 "[ . 1]" 1
576 1 51 GLU HA 1 52 ASP H . . 3.000 3.220 2.984 3.409 0.409 1 0 "[ . 1]" 1
577 1 51 GLU HA 1 53 CYS H 5.000 . 5.500 4.183 3.611 4.736 . 0 0 "[ . 1]" 1
578 1 51 GLU HB2 1 52 ASP H 3.500 . 4.000 3.959 3.726 4.086 0.086 10 0 "[ . 1]" 1
579 1 51 GLU HB3 1 52 ASP H 3.500 . 4.000 3.440 2.627 4.168 0.168 3 0 "[ . 1]" 1
580 1 51 GLU QG 1 52 ASP H 3.500 . 5.000 4.278 3.827 4.581 . 0 0 "[ . 1]" 1
581 1 52 ASP H 1 53 CYS H 3.500 . 4.000 1.910 1.742 2.272 0.058 6 0 "[ . 1]" 1
582 1 52 ASP H 1 53 CYS HA 3.500 . 4.000 4.150 4.013 4.323 0.323 2 0 "[ . 1]" 1
583 1 52 ASP H 1 53 CYS HB2 5.000 . 5.500 4.632 3.322 5.426 . 0 0 "[ . 1]" 1
584 1 52 ASP H 1 53 CYS HB3 5.000 . 5.500 4.101 2.960 5.178 . 0 0 "[ . 1]" 1
585 1 52 ASP HA 1 53 CYS H 3.500 . 4.000 3.065 2.775 3.536 . 0 0 "[ . 1]" 1
586 1 52 ASP HB2 1 53 CYS H 5.000 . 5.500 4.229 3.708 4.556 . 0 0 "[ . 1]" 1
587 1 52 ASP HB3 1 53 CYS H 5.000 . 5.500 4.208 2.807 4.472 . 0 0 "[ . 1]" 1
588 1 53 CYS H 1 54 ALA H 5.000 . 5.500 4.430 4.236 4.635 . 0 0 "[ . 1]" 1
589 1 53 CYS H 1 67 CYS HB3 5.000 . 5.500 4.939 4.492 5.720 0.220 5 0 "[ . 1]" 1
590 1 53 CYS HA 1 54 ALA H . . 3.000 2.518 2.152 2.939 . 0 0 "[ . 1]" 1
591 1 53 CYS HA 1 55 LEU H 3.500 . 4.000 3.807 3.534 4.206 0.206 8 0 "[ . 1]" 1
592 1 53 CYS HB2 1 54 ALA H 5.000 . 5.500 3.077 1.913 4.493 . 0 0 "[ . 1]" 1
593 1 53 CYS HB2 1 55 LEU H 5.000 . 5.500 3.638 2.143 4.578 . 0 0 "[ . 1]" 1
594 1 53 CYS HB2 1 56 VAL MG1 3.500 . 5.000 4.083 3.448 4.252 . 0 0 "[ . 1]" 1
595 1 53 CYS HB3 1 54 ALA H 5.000 . 5.500 3.484 2.516 4.605 . 0 0 "[ . 1]" 1
596 1 53 CYS HB3 1 55 LEU H 5.000 . 5.500 4.225 2.519 5.586 0.086 3 0 "[ . 1]" 1
597 1 54 ALA H 1 55 LEU H 2.500 . 3.000 2.030 1.758 2.687 0.042 6 0 "[ . 1]" 1
598 1 54 ALA H 1 55 LEU HA 5.000 . 5.500 4.379 3.986 5.031 . 0 0 "[ . 1]" 1
599 1 54 ALA H 1 67 CYS HB2 5.000 . 5.500 4.670 4.112 5.603 0.103 7 0 "[ . 1]" 1
600 1 54 ALA H 1 69 GLY HA3 5.000 . 5.500 4.375 2.306 5.688 0.188 3 0 "[ . 1]" 1
601 1 54 ALA HA 1 55 LEU H 2.500 . 3.000 3.163 2.914 3.333 0.333 10 0 "[ . 1]" 1
602 1 55 LEU H 1 56 VAL H 5.000 . 5.500 3.717 2.622 4.376 . 0 0 "[ . 1]" 1
603 1 55 LEU H 1 56 VAL HA 5.000 . 5.500 4.855 3.815 5.372 . 0 0 "[ . 1]" 1
604 1 55 LEU H 1 56 VAL HB 5.000 . 5.500 5.025 4.244 5.976 0.476 7 0 "[ . 1]" 1
605 1 55 LEU H 1 56 VAL MG1 3.500 . 5.000 3.636 2.841 4.437 . 0 0 "[ . 1]" 1
606 1 55 LEU H 1 67 CYS HA 3.500 . 4.000 3.038 2.097 4.290 0.290 8 0 "[ . 1]" 1
607 1 55 LEU H 1 69 GLY HA2 5.000 . 5.500 4.306 3.161 5.568 0.068 7 0 "[ . 1]" 1
608 1 55 LEU H 1 69 GLY HA3 5.000 . 5.500 4.350 3.153 5.521 0.021 3 0 "[ . 1]" 1
609 1 55 LEU HA 1 56 VAL H 2.500 . 3.000 2.384 2.111 2.607 . 0 0 "[ . 1]" 1
610 1 55 LEU HA 1 56 VAL HB 5.000 . 5.500 5.127 4.681 5.665 0.165 5 0 "[ . 1]" 1
611 1 55 LEU HA 1 69 GLY HA2 6.000 . 6.500 5.677 4.507 6.509 0.009 5 0 "[ . 1]" 1
612 1 55 LEU HB2 1 68 LYS H 5.000 . 5.500 4.971 2.252 5.633 0.133 2 0 "[ . 1]" 1
613 1 55 LEU HB2 1 69 GLY H 5.000 . 5.500 4.970 3.089 5.539 0.039 8 0 "[ . 1]" 1
614 1 55 LEU HB3 1 56 VAL H 5.000 . 5.500 3.793 3.381 4.491 . 0 0 "[ . 1]" 1
615 1 55 LEU HB3 1 65 GLU HG2 3.500 . 4.000 3.673 2.305 4.107 0.107 5 0 "[ . 1]" 1
616 1 55 LEU HB3 1 65 GLU HG3 3.500 . 4.000 3.960 3.064 4.159 0.159 8 0 "[ . 1]" 1
617 1 55 LEU MD2 1 68 LYS HA 4.000 . 5.500 4.303 1.745 4.678 0.055 8 0 "[ . 1]" 1
618 1 56 VAL H 1 57 VAL H 5.000 . 5.500 2.563 1.773 4.353 0.027 9 0 "[ . 1]" 1
619 1 56 VAL H 1 67 CYS HA 5.000 . 5.500 3.761 1.774 5.532 0.032 2 0 "[ . 1]" 1
620 1 56 VAL HA 1 57 VAL H 2.500 . 3.000 2.991 2.108 3.390 0.390 2 0 "[ . 1]" 1
621 1 56 VAL HA 1 68 LYS H 5.000 . 5.500 4.968 4.174 5.542 0.042 4 0 "[ . 1]" 1
622 1 56 VAL MG1 1 66 LYS QG 2.500 . 5.000 3.198 2.618 3.716 . 0 0 "[ . 1]" 1
623 1 56 VAL MG2 1 69 GLY H 5.000 . 6.500 5.065 4.220 5.514 . 0 0 "[ . 1]" 1
624 1 57 VAL H 1 58 LYS H 5.000 . 5.500 3.224 1.944 4.352 . 0 0 "[ . 1]" 1
625 1 57 VAL H 1 58 LYS QE 5.000 . 6.500 5.525 5.171 5.866 . 0 0 "[ . 1]" 1
626 1 57 VAL H 1 66 LYS H 3.500 . 4.000 3.306 2.284 4.089 0.089 8 0 "[ . 1]" 1
627 1 57 VAL H 1 66 LYS HB3 5.000 . 5.500 4.025 2.899 5.188 . 0 0 "[ . 1]" 1
628 1 57 VAL H 1 68 LYS HB2 5.000 . 5.500 5.554 5.297 5.807 0.307 3 0 "[ . 1]" 1
629 1 57 VAL HA 1 58 LYS H 3.500 . 4.000 2.396 2.042 2.981 . 0 0 "[ . 1]" 1
630 1 57 VAL HB 1 58 LYS H . . 4.000 3.883 3.228 4.148 0.148 2 0 "[ . 1]" 1
631 1 57 VAL QG 1 58 LYS H 3.500 . 6.000 3.296 2.279 3.731 . 0 0 "[ . 1]" 1
632 1 57 VAL QG 1 59 GLN H 5.000 . 7.500 5.057 4.299 5.607 . 0 0 "[ . 1]" 1
633 1 57 VAL QG 1 66 LYS H 3.500 . 6.000 3.198 2.040 4.468 . 0 0 "[ . 1]" 1
634 1 57 VAL QG 1 67 CYS H 3.500 . 6.000 3.866 3.147 4.464 . 0 0 "[ . 1]" 1
635 1 58 LYS H 1 65 GLU HG2 5.000 . 5.500 4.769 3.503 5.580 0.080 1 0 "[ . 1]" 1
636 1 58 LYS H 1 65 GLU HG3 5.000 . 5.500 4.074 3.116 4.656 . 0 0 "[ . 1]" 1
637 1 58 LYS HA 1 59 GLN H . . 3.000 2.208 2.142 2.343 . 0 0 "[ . 1]" 1
638 1 58 LYS HB2 1 59 GLN H 5.000 . 5.500 4.094 3.922 4.210 . 0 0 "[ . 1]" 1
639 1 58 LYS HB2 1 65 GLU HA 3.500 . 4.000 4.003 3.453 4.144 0.144 5 0 "[ . 1]" 1
640 1 58 LYS HB2 1 65 GLU HG2 3.500 . 4.000 3.180 1.868 3.868 . 0 0 "[ . 1]" 1
641 1 58 LYS HB2 1 65 GLU HG3 3.500 . 4.000 2.511 1.788 4.101 0.101 3 0 "[ . 1]" 1
642 1 58 LYS HB3 1 59 GLN H 5.000 . 5.500 3.757 2.666 4.172 . 0 0 "[ . 1]" 1
643 1 58 LYS QD 1 59 GLN H 3.500 . 5.000 4.447 3.909 4.563 . 0 0 "[ . 1]" 1
644 1 58 LYS QG 1 59 GLN H 3.500 . 5.000 2.729 1.994 3.613 . 0 0 "[ . 1]" 1
645 1 59 GLN H 1 62 ALA MB 5.000 . 6.500 2.973 1.953 4.661 . 0 0 "[ . 1]" 1
646 1 59 GLN HA 1 60 THR H 2.500 . 3.000 2.299 2.158 2.455 . 0 0 "[ . 1]" 1
647 1 59 GLN HA 1 62 ALA H 5.000 . 5.500 4.501 3.817 5.172 . 0 0 "[ . 1]" 1
648 1 59 GLN QB 1 60 THR H 5.000 . 6.500 2.848 2.301 3.748 . 0 0 "[ . 1]" 1
649 1 59 GLN QB 1 62 ALA H 3.500 . 5.000 2.880 1.969 4.132 . 0 0 "[ . 1]" 1
650 1 59 GLN QG 1 60 THR H 5.000 . 6.500 3.818 2.917 4.328 . 0 0 "[ . 1]" 1
651 1 59 GLN QG 1 62 ALA H 5.000 . 6.500 3.990 2.417 4.782 . 0 0 "[ . 1]" 1
652 1 59 GLN QG 1 62 ALA MB 3.500 . 4.000 2.655 1.756 3.072 0.044 8 0 "[ . 1]" 1
653 1 60 THR HA 1 61 GLY H 3.500 . 4.000 3.364 2.138 3.554 . 0 0 "[ . 1]" 1
654 1 60 THR HA 1 62 ALA H 5.000 . 5.500 4.071 3.391 4.858 . 0 0 "[ . 1]" 1
655 1 60 THR HG1 1 61 GLY H 5.000 . 6.500 2.844 1.863 3.628 . 0 0 "[ . 1]" 1
656 1 60 THR HG1 1 61 GLY HA3 5.000 . 6.500 3.962 3.388 4.804 . 0 0 "[ . 1]" 1
657 1 60 THR HG1 1 62 ALA H 6.000 . 7.500 4.561 3.900 5.302 . 0 0 "[ . 1]" 1
658 1 61 GLY H 1 62 ALA H 5.000 . 5.500 2.500 2.104 2.948 . 0 0 "[ . 1]" 1
659 1 61 GLY HA2 1 62 ALA H 3.500 . 4.000 3.160 2.647 3.454 . 0 0 "[ . 1]" 1
660 1 61 GLY HA3 1 62 ALA H 3.500 . 4.000 3.323 3.016 3.583 . 0 0 "[ . 1]" 1
661 1 62 ALA H 1 63 CYS H 5.000 . 5.500 4.358 3.148 4.623 . 0 0 "[ . 1]" 1
662 1 62 ALA HA 1 63 CYS H 3.500 . 4.000 2.413 2.159 3.564 . 0 0 "[ . 1]" 1
663 1 62 ALA MB 1 63 CYS H 3.500 . 5.000 2.628 1.778 3.092 0.022 3 0 "[ . 1]" 1
664 1 62 ALA MB 1 64 CYS H 3.500 . 5.000 3.128 2.473 3.943 . 0 0 "[ . 1]" 1
665 1 63 CYS H 1 64 CYS H 3.500 . 4.000 2.475 2.065 3.001 . 0 0 "[ . 1]" 1
666 1 63 CYS H 1 64 CYS HB2 5.000 . 5.500 4.835 4.007 5.530 0.030 5 0 "[ . 1]" 1
667 1 63 CYS H 1 64 CYS HB3 5.000 . 5.500 5.318 4.559 5.718 0.218 3 0 "[ . 1]" 1
668 1 63 CYS HA 1 64 CYS H 2.500 . 3.000 3.416 3.379 3.451 0.451 5 0 "[ . 1]" 1
669 1 63 CYS HB2 1 64 CYS H 3.500 . 4.000 3.834 3.432 4.024 0.024 6 0 "[ . 1]" 1
670 1 63 CYS HB3 1 64 CYS H . . 3.000 2.743 2.052 3.103 0.103 4 0 "[ . 1]" 1
671 1 64 CYS H 1 65 GLU H 5.000 . 5.500 4.474 4.247 4.620 . 0 0 "[ . 1]" 1
672 1 64 CYS HA 1 65 GLU H 2.500 . 3.000 2.389 2.214 2.780 . 0 0 "[ . 1]" 1
673 1 64 CYS HA 1 65 GLU QB 2.500 . 4.000 3.778 3.694 3.853 . 0 0 "[ . 1]" 1
674 1 64 CYS HB2 1 65 GLU H 4.000 . 4.000 3.794 3.540 3.970 . 0 0 "[ . 1]" 1
675 1 64 CYS HB3 1 65 GLU H 3.500 . 4.000 3.067 2.242 3.859 . 0 0 "[ . 1]" 1
676 1 64 CYS HB3 1 65 GLU QB 5.000 . 6.500 4.906 4.471 5.475 . 0 0 "[ . 1]" 1
677 1 65 GLU H 1 66 LYS H 3.500 . 4.000 3.889 2.159 4.214 0.214 4 0 "[ . 1]" 1
678 1 65 GLU HA 1 66 LYS H . . 3.000 2.451 2.103 3.440 0.440 5 0 "[ . 1]" 1
679 1 65 GLU QB 1 66 LYS H 2.500 . 4.000 3.265 1.960 3.856 . 0 0 "[ . 1]" 1
680 1 65 GLU HG2 1 66 LYS H . . 4.000 3.209 2.782 4.037 0.037 5 0 "[ . 1]" 1
681 1 66 LYS H 1 67 CYS H 5.000 . 5.500 4.043 2.695 4.518 . 0 0 "[ . 1]" 1
682 1 66 LYS H 1 67 CYS HA 5.000 . 5.500 5.270 4.799 5.587 0.087 5 0 "[ . 1]" 1
683 1 66 LYS HA 1 67 CYS H 2.500 . 3.000 2.830 2.009 3.356 0.356 8 0 "[ . 1]" 1
684 1 66 LYS HB2 1 67 CYS H 3.500 . 4.000 3.654 3.276 4.053 0.053 7 0 "[ . 1]" 1
685 1 66 LYS HB3 1 67 CYS H . . 3.000 2.384 1.828 3.222 0.222 1 0 "[ . 1]" 1
686 1 66 LYS HB3 1 67 CYS HB3 5.000 . 5.500 4.795 3.332 5.584 0.084 4 0 "[ . 1]" 1
687 1 66 LYS QG 1 67 CYS H 5.000 . 6.500 2.404 1.758 3.720 0.042 9 0 "[ . 1]" 1
688 1 67 CYS H 1 68 LYS H 5.000 . 5.500 4.199 3.627 4.615 . 0 0 "[ . 1]" 1
689 1 67 CYS HA 1 68 LYS H 2.500 . 3.000 2.275 1.916 3.249 0.249 8 0 "[ . 1]" 1
690 1 67 CYS HA 1 68 LYS HB2 5.000 . 5.500 4.190 3.998 4.623 . 0 0 "[ . 1]" 1
691 1 67 CYS HA 1 69 GLY H 5.000 . 5.500 3.710 3.258 4.837 . 0 0 "[ . 1]" 1
692 1 67 CYS HB2 1 68 LYS H 3.500 . 4.000 3.514 1.869 4.184 0.184 10 0 "[ . 1]" 1
693 1 67 CYS HB2 1 69 GLY H 5.000 . 5.500 4.938 3.522 5.712 0.212 4 0 "[ . 1]" 1
694 1 67 CYS HB3 1 68 LYS H 3.500 . 4.000 3.395 1.778 4.245 0.245 7 0 "[ . 1]" 1
695 1 67 CYS HB3 1 69 GLY H 5.000 . 5.500 4.458 2.421 5.548 0.048 2 0 "[ . 1]" 1
696 1 68 LYS H 1 69 GLY H 3.500 . 4.000 2.118 1.609 3.870 0.191 6 0 "[ . 1]" 1
697 1 68 LYS HA 1 69 GLY H . . 3.000 2.908 2.041 3.230 0.230 1 0 "[ . 1]" 1
698 1 68 LYS HB2 1 69 GLY H . . 4.000 4.094 3.560 4.390 0.390 3 0 "[ . 1]" 1
699 1 68 LYS HB3 1 69 GLY H 3.500 . 4.000 4.039 3.814 4.208 0.208 7 0 "[ . 1]" 1
700 1 68 LYS QD 1 69 GLY H 5.000 . 6.500 5.640 5.382 5.759 . 0 0 "[ . 1]" 1
701 1 68 LYS QG 1 69 GLY H 3.500 . 5.000 4.409 3.532 4.636 . 0 0 "[ . 1]" 1
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