NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558929 |
2m3z   |
18980 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m3z
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 574
_Distance_constraint_stats_list.Viol_count 519
_Distance_constraint_stats_list.Viol_total 333.914
_Distance_constraint_stats_list.Viol_max 0.324
_Distance_constraint_stats_list.Viol_rms 0.0273
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0058
_Distance_constraint_stats_list.Viol_average_violations_only 0.0643
_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 ILE 0.000 0.000 . 0 "[ . 1]"
1 2 GLN 0.000 0.000 . 0 "[ . 1]"
1 3 LYS 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 ASN 0.000 0.000 . 0 "[ . 1]"
1 6 PHE 0.193 0.122 7 0 "[ . 1]"
1 7 ARG 0.129 0.053 10 0 "[ . 1]"
1 8 ASN 0.000 0.000 . 0 "[ . 1]"
1 9 GLN 0.000 0.000 . 0 "[ . 1]"
1 10 ARG 0.255 0.074 6 0 "[ . 1]"
1 11 LYS 0.000 0.000 . 0 "[ . 1]"
1 12 THR 0.028 0.026 6 0 "[ . 1]"
1 13 VAL 0.360 0.046 9 0 "[ . 1]"
1 14 LYS 1.771 0.122 7 0 "[ . 1]"
1 15 CYS 0.151 0.032 1 0 "[ . 1]"
1 16 PHE 0.827 0.074 5 0 "[ . 1]"
1 17 ASN 0.607 0.059 9 0 "[ . 1]"
1 18 CYS 0.662 0.119 6 0 "[ . 1]"
1 19 GLY 3.004 0.255 6 0 "[ . 1]"
1 20 LYS 0.615 0.093 1 0 "[ . 1]"
1 21 GLU 5.919 0.324 6 0 "[ . 1]"
1 22 GLY 3.339 0.248 3 0 "[ . 1]"
1 23 HIS 1.779 0.147 2 0 "[ . 1]"
1 24 ILE 0.595 0.079 3 0 "[ . 1]"
1 25 ALA 1.537 0.147 2 0 "[ . 1]"
1 26 LYS 0.095 0.017 6 0 "[ . 1]"
1 27 ASN 1.102 0.079 3 0 "[ . 1]"
1 28 CYS 0.668 0.075 10 0 "[ . 1]"
1 29 ARG 0.228 0.114 3 0 "[ . 1]"
1 30 ALA 0.105 0.055 3 0 "[ . 1]"
1 31 PRO 0.156 0.055 3 0 "[ . 1]"
1 32 ARG 2.375 0.164 10 0 "[ . 1]"
1 33 LYS 0.964 0.059 9 0 "[ . 1]"
1 34 LYS 0.746 0.103 1 0 "[ . 1]"
1 35 GLY 0.760 0.103 1 0 "[ . 1]"
1 36 CYS 0.021 0.021 2 0 "[ . 1]"
1 37 TRP 1.166 0.084 5 0 "[ . 1]"
1 38 LYS 1.951 0.119 7 0 "[ . 1]"
1 39 CYS 0.698 0.097 6 0 "[ . 1]"
1 40 GLY 0.034 0.034 7 0 "[ . 1]"
1 41 LYS 0.134 0.051 5 0 "[ . 1]"
1 42 GLU 0.021 0.021 2 0 "[ . 1]"
1 43 GLY 0.000 0.000 . 0 "[ . 1]"
1 44 HIS 0.159 0.036 7 0 "[ . 1]"
1 45 GLN 4.169 0.272 10 0 "[ . 1]"
1 46 MET 0.870 0.073 2 0 "[ . 1]"
1 47 LYS 2.688 0.098 4 0 "[ . 1]"
1 48 ASP 0.012 0.005 10 0 "[ . 1]"
1 49 CYS 0.130 0.036 7 0 "[ . 1]"
1 50 THR 0.264 0.038 6 0 "[ . 1]"
1 51 GLU 0.759 0.160 8 0 "[ . 1]"
1 52 ARG 0.044 0.033 8 0 "[ . 1]"
1 53 GLN 0.000 0.000 . 0 "[ . 1]"
1 54 ALA 0.000 0.000 . 0 "[ . 1]"
1 55 ASN 0.363 0.045 6 0 "[ . 1]"
4 1 1HF 2.197 0.102 8 0 "[ . 1]"
5 1 1HF 4.225 0.164 10 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 1 ILE HA 1 1 ILE HB . . 2.700 2.454 2.366 2.495 . 0 0 "[ . 1]" 1
2 1 1 ILE HA 1 2 GLN H . . 3.500 2.309 2.161 2.381 . 0 0 "[ . 1]" 1
3 1 1 ILE HB 1 1 ILE MD . . 3.500 2.449 2.405 2.478 . 0 0 "[ . 1]" 1
4 1 1 ILE HG12 1 1 ILE MG . . 3.500 2.297 2.220 2.399 . 0 0 "[ . 1]" 1
5 1 1 ILE HG13 1 1 ILE MG . . 3.500 2.784 2.438 3.283 . 0 0 "[ . 1]" 1
6 1 2 GLN HA 1 2 GLN QB . . 2.700 2.333 2.174 2.438 . 0 0 "[ . 1]" 1
7 1 2 GLN HA 1 3 LYS H . . 5.000 2.480 2.277 3.547 . 0 0 "[ . 1]" 1
8 1 3 LYS H 1 3 LYS QD . . 5.000 4.044 3.667 4.293 . 0 0 "[ . 1]" 1
9 1 4 GLY QA 1 5 ASN H . . 5.000 2.454 2.102 2.996 . 0 0 "[ . 1]" 1
10 1 5 ASN H 1 5 ASN HB3 . . 2.700 2.460 2.372 2.668 . 0 0 "[ . 1]" 1
11 1 5 ASN HA 1 5 ASN HB2 . . 3.000 2.439 2.318 2.532 . 0 0 "[ . 1]" 1
12 1 6 PHE H 1 6 PHE HB2 . . 4.000 2.580 2.447 2.815 . 0 0 "[ . 1]" 1
13 1 6 PHE HA 1 6 PHE HB3 . . 3.000 2.448 2.385 2.524 . 0 0 "[ . 1]" 1
14 1 6 PHE HA 1 6 PHE QD . . 3.500 2.756 2.578 2.923 . 0 0 "[ . 1]" 1
15 1 6 PHE HB2 1 14 LYS HB2 . . 5.000 4.789 4.221 5.122 0.122 7 0 "[ . 1]" 1
16 1 7 ARG HA 1 8 ASN H . . 5.000 2.627 2.067 3.564 . 0 0 "[ . 1]" 1
17 1 7 ARG HA 1 10 ARG H . . 4.000 3.894 3.560 4.053 0.053 10 0 "[ . 1]" 1
18 1 7 ARG HA 1 10 ARG HB3 . . 4.500 3.734 2.521 4.503 0.003 2 0 "[ . 1]" 1
19 1 7 ARG QB 1 7 ARG QD . . 3.500 2.279 2.055 2.438 . 0 0 "[ . 1]" 1
20 1 8 ASN H 1 8 ASN HB2 . . 4.000 3.420 2.461 3.797 . 0 0 "[ . 1]" 1
21 1 8 ASN HA 1 8 ASN HB2 . . 2.700 2.425 2.301 2.508 . 0 0 "[ . 1]" 1
22 1 9 GLN H 1 9 GLN HB2 . . 4.000 2.823 2.496 3.642 . 0 0 "[ . 1]" 1
23 1 9 GLN HA 1 9 GLN HB3 . . 2.700 2.493 2.431 2.530 . 0 0 "[ . 1]" 1
24 1 9 GLN HA 1 9 GLN QG . . 3.000 2.503 2.377 2.989 . 0 0 "[ . 1]" 1
25 1 9 GLN HA 1 13 VAL MG2 . . 5.000 3.860 3.078 4.613 . 0 0 "[ . 1]" 1
26 1 9 GLN HB2 1 9 GLN QG . . 2.700 2.365 2.181 2.439 . 0 0 "[ . 1]" 1
27 1 9 GLN HB3 1 9 GLN QG . . 2.700 2.381 2.333 2.433 . 0 0 "[ . 1]" 1
28 1 9 GLN HE21 4 1 1HF H6 . . 5.000 3.604 2.980 3.905 . 0 0 "[ . 1]" 1
29 1 10 ARG H 1 10 ARG HB3 . . 2.700 2.496 2.401 2.723 0.023 6 0 "[ . 1]" 1
30 1 10 ARG H 1 10 ARG QG . . 4.000 3.992 3.930 4.074 0.074 6 0 "[ . 1]" 1
31 1 10 ARG HA 1 10 ARG HB2 . . 3.000 2.472 2.447 2.519 . 0 0 "[ . 1]" 1
32 1 10 ARG HA 1 10 ARG QG . . 3.000 2.418 2.359 2.558 . 0 0 "[ . 1]" 1
33 1 10 ARG HB3 1 10 ARG QD . . 2.700 2.440 2.306 2.519 . 0 0 "[ . 1]" 1
34 1 11 LYS HA 1 11 LYS QB . . 2.700 2.389 2.332 2.408 . 0 0 "[ . 1]" 1
35 1 11 LYS QB 1 12 THR H . . 5.000 2.704 2.230 3.183 . 0 0 "[ . 1]" 1
36 1 12 THR HA 1 12 THR MG . . 3.500 2.533 2.279 3.256 . 0 0 "[ . 1]" 1
37 1 12 THR HA 1 13 VAL H . . 2.700 2.392 2.168 2.685 . 0 0 "[ . 1]" 1
38 1 12 THR HB 1 13 VAL H . . 4.500 3.303 2.045 4.016 . 0 0 "[ . 1]" 1
39 1 12 THR MG 1 13 VAL H . . 5.000 2.783 2.079 3.544 . 0 0 "[ . 1]" 1
40 1 12 THR MG 1 21 GLU QB . . 5.000 3.236 2.336 4.512 . 0 0 "[ . 1]" 1
41 1 12 THR MG 1 21 GLU HG2 . . 4.500 3.060 2.336 3.952 . 0 0 "[ . 1]" 1
42 1 12 THR MG 1 21 GLU HG3 . . 5.000 3.915 3.117 5.002 0.002 2 0 "[ . 1]" 1
43 1 12 THR MG 1 22 GLY H . . 5.000 3.807 2.730 5.026 0.026 6 0 "[ . 1]" 1
44 1 13 VAL H 1 13 VAL HB . . 3.500 3.145 2.734 3.486 . 0 0 "[ . 1]" 1
45 1 13 VAL H 1 13 VAL MG1 . . 3.000 2.411 2.170 2.747 . 0 0 "[ . 1]" 1
46 1 13 VAL H 1 23 HIS H . . 5.000 4.954 4.392 5.046 0.046 9 0 "[ . 1]" 1
47 1 13 VAL HA 1 13 VAL MG1 . . 3.500 3.275 3.264 3.286 . 0 0 "[ . 1]" 1
48 1 13 VAL HA 1 13 VAL MG2 . . 2.700 2.300 2.262 2.352 . 0 0 "[ . 1]" 1
49 1 13 VAL HA 1 14 LYS H . . 2.700 2.277 2.234 2.342 . 0 0 "[ . 1]" 1
50 1 13 VAL HA 4 1 1HF H7 . . 4.000 3.707 3.337 3.872 . 0 0 "[ . 1]" 1
51 1 13 VAL HB 1 14 LYS H . . 4.500 4.167 4.147 4.212 . 0 0 "[ . 1]" 1
52 1 13 VAL HB 4 1 1HF H6 . . 5.000 4.941 4.909 5.016 0.016 9 0 "[ . 1]" 1
53 1 13 VAL HB 4 1 1HF H7 . . 5.000 4.826 4.777 4.888 . 0 0 "[ . 1]" 1
54 1 13 VAL MG1 1 14 LYS H . . 4.500 3.737 3.604 3.907 . 0 0 "[ . 1]" 1
55 1 13 VAL MG1 1 23 HIS H . . 5.000 2.624 2.543 2.776 . 0 0 "[ . 1]" 1
56 1 13 VAL MG1 4 1 1HF H6 . . 5.500 5.484 5.341 5.536 0.036 6 0 "[ . 1]" 1
57 1 13 VAL MG1 4 1 1HF H7 . . 5.000 4.682 4.529 4.757 . 0 0 "[ . 1]" 1
58 1 13 VAL MG2 1 14 LYS H . . 3.500 2.385 2.290 2.503 . 0 0 "[ . 1]" 1
59 1 13 VAL MG2 1 22 GLY H . . 5.000 4.915 4.622 5.017 0.017 3 0 "[ . 1]" 1
60 1 13 VAL MG2 1 23 HIS H . . 5.000 4.212 3.946 4.399 . 0 0 "[ . 1]" 1
61 1 13 VAL MG2 1 24 ILE HA . . 5.000 3.845 3.725 3.954 . 0 0 "[ . 1]" 1
62 1 13 VAL MG2 4 1 1HF H1 . . 5.000 3.473 3.348 3.647 . 0 0 "[ . 1]" 1
63 1 13 VAL MG2 4 1 1HF H6 . . 4.500 2.711 2.591 2.757 . 0 0 "[ . 1]" 1
64 1 13 VAL MG2 4 1 1HF H7 . . 4.500 2.280 2.206 2.358 . 0 0 "[ . 1]" 1
65 1 14 LYS H 1 14 LYS HB2 . . 3.000 3.000 2.814 3.064 0.064 6 0 "[ . 1]" 1
66 1 14 LYS H 1 14 LYS HB3 . . 3.000 2.715 2.594 2.910 . 0 0 "[ . 1]" 1
67 1 14 LYS H 1 14 LYS QD . . 5.000 4.737 4.528 5.048 0.048 4 0 "[ . 1]" 1
68 1 14 LYS H 1 14 LYS HG2 . . 5.000 4.558 4.463 4.707 . 0 0 "[ . 1]" 1
69 1 14 LYS H 4 1 1HF H1 . . 5.000 3.706 3.338 3.885 . 0 0 "[ . 1]" 1
70 1 14 LYS HA 1 14 LYS HB2 . . 3.000 2.542 2.505 2.689 . 0 0 "[ . 1]" 1
71 1 14 LYS HA 1 15 CYS H . . 2.700 2.160 2.147 2.192 . 0 0 "[ . 1]" 1
72 1 14 LYS HA 1 22 GLY H . . 5.000 3.615 3.462 3.726 . 0 0 "[ . 1]" 1
73 1 14 LYS HA 4 1 1HF H7 . . 5.000 5.076 5.045 5.102 0.102 8 0 "[ . 1]" 1
74 1 14 LYS HB3 1 14 LYS HG2 . . 3.000 2.498 2.414 2.547 . 0 0 "[ . 1]" 1
75 1 14 LYS HB3 1 14 LYS HG3 . . 3.000 3.040 3.033 3.045 0.045 10 0 "[ . 1]" 1
76 1 14 LYS HB3 1 15 CYS H . . 5.000 4.187 4.040 4.310 . 0 0 "[ . 1]" 1
77 1 14 LYS QD 1 14 LYS HG2 . . 2.700 2.311 2.141 2.431 . 0 0 "[ . 1]" 1
78 1 14 LYS QD 1 14 LYS HG3 . . 2.700 2.400 2.165 2.491 . 0 0 "[ . 1]" 1
79 1 14 LYS HG3 1 15 CYS H . . 5.000 3.347 3.168 3.610 . 0 0 "[ . 1]" 1
80 1 15 CYS H 1 15 CYS HB2 . . 2.900 2.477 2.394 2.570 . 0 0 "[ . 1]" 1
81 1 15 CYS H 1 15 CYS HB3 . . 2.900 2.343 2.289 2.390 . 0 0 "[ . 1]" 1
82 1 15 CYS H 1 19 GLY H . . 5.000 4.607 4.513 4.713 . 0 0 "[ . 1]" 1
83 1 15 CYS H 1 21 GLU HA . . 5.000 3.606 3.419 3.751 . 0 0 "[ . 1]" 1
84 1 15 CYS H 1 23 HIS H . . 5.000 3.881 3.810 3.996 . 0 0 "[ . 1]" 1
85 1 15 CYS HA 1 15 CYS HB2 . . 2.900 2.375 2.357 2.400 . 0 0 "[ . 1]" 1
86 1 15 CYS HA 1 16 PHE H . . 2.700 2.187 2.171 2.210 . 0 0 "[ . 1]" 1
87 1 15 CYS HA 1 17 ASN H . . 5.000 3.822 3.776 3.891 . 0 0 "[ . 1]" 1
88 1 15 CYS HA 1 25 ALA H . . 5.000 3.158 3.116 3.250 . 0 0 "[ . 1]" 1
89 1 15 CYS HA 4 1 1HF H1 . . 3.500 2.487 2.386 2.582 . 0 0 "[ . 1]" 1
90 1 15 CYS HB2 1 16 PHE H . . 5.000 4.065 4.005 4.110 . 0 0 "[ . 1]" 1
91 1 15 CYS HB2 1 17 ASN H . . 5.000 4.436 4.388 4.483 . 0 0 "[ . 1]" 1
92 1 15 CYS HB2 1 18 CYS H . . 5.000 4.319 4.202 4.387 . 0 0 "[ . 1]" 1
93 1 15 CYS HB2 1 19 GLY H . . 5.000 4.433 4.289 4.535 . 0 0 "[ . 1]" 1
94 1 15 CYS HB2 1 20 LYS H . . 5.000 4.138 3.643 4.549 . 0 0 "[ . 1]" 1
95 1 15 CYS HB2 1 23 HIS H . . 5.000 4.359 4.265 4.433 . 0 0 "[ . 1]" 1
96 1 15 CYS HB2 1 23 HIS HD2 . . 3.000 3.010 2.960 3.032 0.032 1 0 "[ . 1]" 1
97 1 15 CYS HB2 1 25 ALA H . . 5.000 4.294 4.124 4.421 . 0 0 "[ . 1]" 1
98 1 15 CYS HB2 1 28 CYS HB2 . . 5.000 3.962 3.907 4.066 . 0 0 "[ . 1]" 1
99 1 15 CYS HB3 1 16 PHE H . . 5.000 4.159 4.119 4.198 . 0 0 "[ . 1]" 1
100 1 15 CYS HB3 1 18 CYS H . . 3.500 3.366 3.276 3.503 0.003 5 0 "[ . 1]" 1
101 1 15 CYS HB3 1 19 GLY H . . 3.700 2.818 2.689 2.918 . 0 0 "[ . 1]" 1
102 1 15 CYS HB3 1 20 LYS H . . 3.500 2.571 2.127 2.961 . 0 0 "[ . 1]" 1
103 1 15 CYS HB3 1 23 HIS HD2 . . 5.000 4.543 4.494 4.585 . 0 0 "[ . 1]" 1
104 1 15 CYS HB3 1 23 HIS HE1 . . 5.000 3.629 3.374 3.978 . 0 0 "[ . 1]" 1
105 1 16 PHE H 1 16 PHE HB2 . . 2.700 2.497 2.446 2.553 . 0 0 "[ . 1]" 1
106 1 16 PHE H 1 16 PHE HB3 . . 4.000 3.621 3.602 3.645 . 0 0 "[ . 1]" 1
107 1 16 PHE H 1 16 PHE QD . . 4.000 3.154 3.026 3.249 . 0 0 "[ . 1]" 1
108 1 16 PHE H 1 17 ASN H . . 3.500 2.487 2.427 2.531 . 0 0 "[ . 1]" 1
109 1 16 PHE H 1 25 ALA H . . 3.500 3.134 3.081 3.217 . 0 0 "[ . 1]" 1
110 1 16 PHE H 1 25 ALA MB . . 4.000 2.908 2.850 2.965 . 0 0 "[ . 1]" 1
111 1 16 PHE H 4 1 1HF H1 . . 3.500 3.096 3.009 3.178 . 0 0 "[ . 1]" 1
112 1 16 PHE HA 1 16 PHE HB3 . . 2.700 2.435 2.404 2.464 . 0 0 "[ . 1]" 1
113 1 16 PHE HA 1 16 PHE QD . . 3.000 2.334 2.274 2.392 . 0 0 "[ . 1]" 1
114 1 16 PHE HB2 1 16 PHE QD . . 2.900 2.416 2.381 2.465 . 0 0 "[ . 1]" 1
115 1 16 PHE HB2 1 16 PHE HE1 . . 5.500 5.462 5.440 5.488 . 0 0 "[ . 1]" 1
116 1 16 PHE HB2 1 17 ASN H . . 4.500 3.115 3.018 3.182 . 0 0 "[ . 1]" 1
117 1 16 PHE HB2 1 25 ALA MB . . 3.500 3.071 2.969 3.202 . 0 0 "[ . 1]" 1
118 1 16 PHE HB2 1 37 TRP QB . . 5.000 2.583 2.425 2.734 . 0 0 "[ . 1]" 1
119 1 16 PHE HB2 1 37 TRP HE3 . . 5.000 3.508 3.401 3.622 . 0 0 "[ . 1]" 1
120 1 16 PHE HB2 4 1 1HF H1 . . 5.000 4.874 4.738 4.949 . 0 0 "[ . 1]" 1
121 1 16 PHE HB3 1 16 PHE QD . . 3.200 2.708 2.674 2.741 . 0 0 "[ . 1]" 1
122 1 16 PHE HB3 1 16 PHE HE1 . . 5.500 5.212 5.152 5.261 . 0 0 "[ . 1]" 1
123 1 16 PHE HB3 1 17 ASN H . . 5.500 4.076 4.000 4.160 . 0 0 "[ . 1]" 1
124 1 16 PHE HB3 1 25 ALA MB . . 5.000 4.545 4.450 4.676 . 0 0 "[ . 1]" 1
125 1 16 PHE HB3 1 37 TRP QB . . 4.500 2.196 2.111 2.301 . 0 0 "[ . 1]" 1
126 1 16 PHE QD 1 25 ALA MB . . 5.000 4.065 3.890 4.146 . 0 0 "[ . 1]" 1
127 1 16 PHE QD 1 37 TRP HZ3 . . 5.500 5.437 5.101 5.517 0.017 1 0 "[ . 1]" 1
128 1 16 PHE QD 1 46 MET ME . . 5.000 2.382 2.249 2.510 . 0 0 "[ . 1]" 1
129 1 16 PHE QD 4 1 1HF H4 . . 5.500 5.450 5.376 5.518 0.018 1 0 "[ . 1]" 1
130 1 16 PHE HE1 4 1 1HF H4 . . 5.500 5.549 5.528 5.574 0.074 5 0 "[ . 1]" 1
131 1 16 PHE HE2 1 38 LYS QD . . 5.000 4.013 3.161 4.632 . 0 0 "[ . 1]" 1
132 1 16 PHE HE2 1 38 LYS QE . . 5.000 4.919 4.222 5.047 0.047 1 0 "[ . 1]" 1
133 1 16 PHE HE2 1 46 MET ME . . 5.000 3.099 2.802 3.315 . 0 0 "[ . 1]" 1
134 1 17 ASN H 1 17 ASN HB2 . . 3.200 2.719 2.681 2.746 . 0 0 "[ . 1]" 1
135 1 17 ASN H 1 17 ASN HB3 . . 2.700 2.486 2.458 2.534 . 0 0 "[ . 1]" 1
136 1 17 ASN H 1 17 ASN HD21 . . 5.000 4.789 4.724 4.868 . 0 0 "[ . 1]" 1
137 1 17 ASN H 1 18 CYS H . . 2.700 2.647 2.601 2.705 0.005 7 0 "[ . 1]" 1
138 1 17 ASN H 1 19 GLY H . . 5.000 3.608 3.484 3.671 . 0 0 "[ . 1]" 1
139 1 17 ASN H 1 25 ALA HA . . 5.000 4.106 4.033 4.161 . 0 0 "[ . 1]" 1
140 1 17 ASN H 1 25 ALA MB . . 3.500 2.680 2.589 2.784 . 0 0 "[ . 1]" 1
141 1 17 ASN HA 1 17 ASN HB2 . . 2.900 2.465 2.457 2.477 . 0 0 "[ . 1]" 1
142 1 17 ASN HA 1 18 CYS H . . 3.700 3.625 3.612 3.632 . 0 0 "[ . 1]" 1
143 1 17 ASN HB2 1 17 ASN HD21 . . 3.500 3.049 2.862 3.212 . 0 0 "[ . 1]" 1
144 1 17 ASN HB2 1 18 CYS H . . 4.000 3.827 3.758 3.880 . 0 0 "[ . 1]" 1
145 1 17 ASN HB2 1 25 ALA MB . . 5.000 2.594 2.469 2.733 . 0 0 "[ . 1]" 1
146 1 17 ASN HB3 1 17 ASN HD21 . . 2.700 2.327 2.260 2.429 . 0 0 "[ . 1]" 1
147 1 17 ASN HB3 1 17 ASN HD22 . . 3.800 3.552 3.527 3.584 . 0 0 "[ . 1]" 1
148 1 17 ASN HB3 1 18 CYS H . . 2.800 2.414 2.295 2.509 . 0 0 "[ . 1]" 1
149 1 17 ASN HB3 1 28 CYS HB3 . . 5.000 4.184 4.048 4.260 . 0 0 "[ . 1]" 1
150 1 17 ASN HD21 1 18 CYS H . . 5.000 4.120 3.618 4.627 . 0 0 "[ . 1]" 1
151 1 17 ASN HD21 1 28 CYS HB2 . . 5.000 4.665 4.378 5.009 0.009 8 0 "[ . 1]" 1
152 1 17 ASN HD21 1 28 CYS HB3 . . 5.000 3.818 3.698 3.985 . 0 0 "[ . 1]" 1
153 1 17 ASN HD21 1 30 ALA MB . . 4.000 2.862 2.691 3.023 . 0 0 "[ . 1]" 1
154 1 17 ASN HD21 1 32 ARG HA . . 4.000 3.596 3.529 3.680 . 0 0 "[ . 1]" 1
155 1 17 ASN HD21 1 32 ARG HB3 . . 5.000 5.001 4.936 5.036 0.036 10 0 "[ . 1]" 1
156 1 17 ASN HD21 1 33 LYS H . . 5.000 5.045 5.034 5.059 0.059 9 0 "[ . 1]" 1
157 1 17 ASN HD22 1 30 ALA MB . . 4.000 3.156 3.112 3.256 . 0 0 "[ . 1]" 1
158 1 17 ASN HD22 1 32 ARG H . . 5.000 4.154 3.974 4.410 . 0 0 "[ . 1]" 1
159 1 17 ASN HD22 1 32 ARG HA . . 3.000 2.259 2.150 2.434 . 0 0 "[ . 1]" 1
160 1 17 ASN HD22 1 32 ARG QG . . 5.000 2.850 2.740 2.990 . 0 0 "[ . 1]" 1
161 1 17 ASN HD22 1 33 LYS H . . 4.000 3.744 3.698 3.806 . 0 0 "[ . 1]" 1
162 1 18 CYS H 1 18 CYS HB3 . . 3.000 2.795 2.728 2.873 . 0 0 "[ . 1]" 1
163 1 18 CYS H 1 19 GLY H . . 2.700 2.319 2.268 2.362 . 0 0 "[ . 1]" 1
164 1 18 CYS H 1 19 GLY HA3 . . 5.000 5.065 5.017 5.119 0.119 6 0 "[ . 1]" 1
165 1 18 CYS H 1 25 ALA MB . . 5.000 4.509 4.456 4.591 . 0 0 "[ . 1]" 1
166 1 18 CYS HA 1 18 CYS HB2 . . 2.700 2.287 2.235 2.311 . 0 0 "[ . 1]" 1
167 1 18 CYS HA 1 18 CYS HB3 . . 2.700 2.503 2.473 2.542 . 0 0 "[ . 1]" 1
168 1 18 CYS HA 1 19 GLY H . . 4.000 3.411 3.328 3.446 . 0 0 "[ . 1]" 1
169 1 18 CYS HA 1 30 ALA MB . . 5.000 4.150 4.075 4.221 . 0 0 "[ . 1]" 1
170 1 18 CYS HB2 1 20 LYS QB . . 5.000 4.546 4.144 4.985 . 0 0 "[ . 1]" 1
171 1 18 CYS HB2 1 30 ALA MB . . 4.500 3.181 2.991 3.412 . 0 0 "[ . 1]" 1
172 1 18 CYS HB3 1 30 ALA MB . . 3.500 2.341 2.284 2.452 . 0 0 "[ . 1]" 1
173 1 19 GLY H 1 19 GLY HA3 . . 2.700 2.935 2.901 2.955 0.255 6 0 "[ . 1]" 1
174 1 19 GLY H 1 20 LYS H . . 3.500 2.716 2.639 2.789 . 0 0 "[ . 1]" 1
175 1 19 GLY HA3 1 20 LYS H . . 3.500 3.368 3.314 3.436 . 0 0 "[ . 1]" 1
176 1 20 LYS H 1 20 LYS HA . . 3.000 2.958 2.931 2.988 . 0 0 "[ . 1]" 1
177 1 20 LYS H 1 20 LYS QB . . 2.500 2.314 2.143 2.395 . 0 0 "[ . 1]" 1
178 1 20 LYS H 1 20 LYS HG2 . . 4.000 3.911 3.728 4.093 0.093 1 0 "[ . 1]" 1
179 1 20 LYS H 1 20 LYS HG3 . . 5.000 3.252 2.537 4.560 . 0 0 "[ . 1]" 1
180 1 20 LYS HA 1 20 LYS QB . . 2.700 2.397 2.257 2.455 . 0 0 "[ . 1]" 1
181 1 20 LYS HA 1 20 LYS HG2 . . 3.700 2.952 2.429 3.693 . 0 0 "[ . 1]" 1
182 1 20 LYS HA 1 20 LYS HG3 . . 3.500 2.838 2.505 3.076 . 0 0 "[ . 1]" 1
183 1 20 LYS HA 1 21 GLU H . . 2.700 2.179 2.156 2.202 . 0 0 "[ . 1]" 1
184 1 20 LYS HA 1 23 HIS HE1 . . 5.000 4.755 4.588 5.008 0.008 9 0 "[ . 1]" 1
185 1 20 LYS QB 1 20 LYS HG2 . . 2.700 2.290 2.143 2.363 . 0 0 "[ . 1]" 1
186 1 20 LYS QB 1 21 GLU H . . 3.500 2.968 2.754 3.569 0.069 1 0 "[ . 1]" 1
187 1 20 LYS QB 1 23 HIS HE1 . . 3.000 2.093 2.027 2.287 . 0 0 "[ . 1]" 1
188 1 20 LYS QD 1 23 HIS HE1 . . 5.000 3.736 2.978 4.383 . 0 0 "[ . 1]" 1
189 1 20 LYS QE 1 20 LYS HG3 . . 2.700 2.496 2.358 2.720 0.020 9 0 "[ . 1]" 1
190 1 20 LYS HG2 1 23 HIS HE1 . . 5.000 4.527 2.536 5.065 0.065 2 0 "[ . 1]" 1
191 1 20 LYS HG3 1 21 GLU H . . 5.000 4.358 2.515 4.998 . 0 0 "[ . 1]" 1
192 1 20 LYS HG3 1 23 HIS HE1 . . 5.000 4.582 4.154 5.025 0.025 6 0 "[ . 1]" 1
193 1 21 GLU H 1 21 GLU QB . . 2.500 2.325 2.277 2.348 . 0 0 "[ . 1]" 1
194 1 21 GLU H 1 21 GLU HG2 . . 3.500 3.695 3.676 3.716 0.216 1 0 "[ . 1]" 1
195 1 21 GLU H 1 21 GLU HG3 . . 3.000 2.839 2.724 3.008 0.008 6 0 "[ . 1]" 1
196 1 21 GLU HA 1 21 GLU HG2 . . 2.900 3.178 3.117 3.224 0.324 6 0 "[ . 1]" 1
197 1 21 GLU HA 1 22 GLY H . . 2.900 2.278 2.243 2.327 . 0 0 "[ . 1]" 1
198 1 21 GLU QB 1 21 GLU HG3 . . 2.700 2.527 2.497 2.549 . 0 0 "[ . 1]" 1
199 1 21 GLU QB 1 22 GLY H . . 3.500 2.313 2.192 2.436 . 0 0 "[ . 1]" 1
200 1 21 GLU HG3 1 22 GLY H . . 3.700 3.811 3.759 3.866 0.166 7 0 "[ . 1]" 1
201 1 22 GLY H 1 22 GLY HA3 . . 2.700 2.919 2.893 2.948 0.248 3 0 "[ . 1]" 1
202 1 22 GLY H 1 23 HIS H . . 3.000 2.747 2.640 2.867 . 0 0 "[ . 1]" 1
203 1 22 GLY HA3 1 23 HIS H . . 3.500 3.368 3.352 3.390 . 0 0 "[ . 1]" 1
204 1 23 HIS H 1 23 HIS QB . . 3.500 3.215 3.181 3.235 . 0 0 "[ . 1]" 1
205 1 23 HIS HA 1 23 HIS QB . . 2.700 2.194 2.185 2.202 . 0 0 "[ . 1]" 1
206 1 23 HIS HA 1 24 ILE H . . 3.000 2.517 2.470 2.555 . 0 0 "[ . 1]" 1
207 1 23 HIS QB 1 23 HIS HD2 . . 3.500 2.632 2.601 2.667 . 0 0 "[ . 1]" 1
208 1 23 HIS QB 1 24 ILE H . . 3.000 2.238 2.183 2.302 . 0 0 "[ . 1]" 1
209 1 23 HIS QB 1 24 ILE HG12 . . 4.500 4.210 4.088 4.449 . 0 0 "[ . 1]" 1
210 1 23 HIS HD2 1 24 ILE HA . . 5.000 3.830 3.654 3.957 . 0 0 "[ . 1]" 1
211 1 23 HIS HD2 1 25 ALA HA . . 3.500 3.612 3.582 3.647 0.147 2 0 "[ . 1]" 1
212 1 23 HIS HD2 1 28 CYS H . . 5.000 2.981 2.877 3.274 . 0 0 "[ . 1]" 1
213 1 23 HIS HD2 1 28 CYS HA . . 4.500 2.823 2.539 3.129 . 0 0 "[ . 1]" 1
214 1 23 HIS HD2 1 28 CYS HB2 . . 3.000 2.219 2.168 2.268 . 0 0 "[ . 1]" 1
215 1 23 HIS HD2 1 28 CYS HB3 . . 4.500 3.895 3.862 3.940 . 0 0 "[ . 1]" 1
216 1 24 ILE H 1 24 ILE HB . . 4.000 3.831 3.788 3.879 . 0 0 "[ . 1]" 1
217 1 24 ILE H 1 24 ILE MD . . 5.000 4.017 3.941 4.121 . 0 0 "[ . 1]" 1
218 1 24 ILE H 1 24 ILE HG12 . . 2.700 2.396 2.290 2.555 . 0 0 "[ . 1]" 1
219 1 24 ILE H 1 24 ILE HG13 . . 3.500 2.992 2.925 3.029 . 0 0 "[ . 1]" 1
220 1 24 ILE H 1 24 ILE MG . . 3.500 3.062 2.997 3.139 . 0 0 "[ . 1]" 1
221 1 24 ILE H 1 27 ASN HB3 . . 5.000 3.086 2.251 4.977 . 0 0 "[ . 1]" 1
222 1 24 ILE HA 1 24 ILE HB . . 3.000 2.468 2.454 2.486 . 0 0 "[ . 1]" 1
223 1 24 ILE HA 1 24 ILE MG . . 2.700 2.296 2.280 2.306 . 0 0 "[ . 1]" 1
224 1 24 ILE HA 1 25 ALA H . . 2.700 2.392 2.376 2.408 . 0 0 "[ . 1]" 1
225 1 24 ILE HB 1 24 ILE MD . . 2.700 2.392 2.359 2.407 . 0 0 "[ . 1]" 1
226 1 24 ILE HB 1 24 ILE HG13 . . 3.000 2.497 2.484 2.524 . 0 0 "[ . 1]" 1
227 1 24 ILE HB 1 25 ALA H . . 3.200 2.678 2.609 2.725 . 0 0 "[ . 1]" 1
228 1 24 ILE HB 1 26 LYS H . . 4.000 3.098 3.037 3.155 . 0 0 "[ . 1]" 1
229 1 24 ILE MD 1 24 ILE MG . . 3.500 2.139 2.131 2.150 . 0 0 "[ . 1]" 1
230 1 24 ILE MD 1 25 ALA H . . 5.000 4.453 4.330 4.520 . 0 0 "[ . 1]" 1
231 1 24 ILE MD 1 26 LYS H . . 3.500 3.297 3.161 3.385 . 0 0 "[ . 1]" 1
232 1 24 ILE MD 1 26 LYS QB . . 3.500 2.337 2.259 2.392 . 0 0 "[ . 1]" 1
233 1 24 ILE MD 1 26 LYS QD . . 5.000 2.951 2.795 3.065 . 0 0 "[ . 1]" 1
234 1 24 ILE MD 1 26 LYS QG . . 4.000 3.946 3.866 4.000 0.000 5 0 "[ . 1]" 1
235 1 24 ILE MD 1 27 ASN H . . 5.000 3.714 3.613 3.820 . 0 0 "[ . 1]" 1
236 1 24 ILE MD 1 27 ASN HD21 . . 5.000 4.303 3.801 4.537 . 0 0 "[ . 1]" 1
237 1 24 ILE MD 4 1 1HF H4 . . 5.000 4.448 4.238 4.655 . 0 0 "[ . 1]" 1
238 1 24 ILE HG12 1 24 ILE MG . . 3.500 2.419 2.372 2.450 . 0 0 "[ . 1]" 1
239 1 24 ILE HG12 1 27 ASN HD21 . . 3.500 3.420 3.347 3.529 0.029 10 0 "[ . 1]" 1
240 1 24 ILE HG12 1 27 ASN HD22 . . 5.000 4.276 2.380 5.079 0.079 3 0 "[ . 1]" 1
241 1 24 ILE HG13 1 25 ALA H . . 4.000 3.936 3.907 3.969 . 0 0 "[ . 1]" 1
242 1 24 ILE HG13 1 26 LYS H . . 3.500 2.558 2.486 2.600 . 0 0 "[ . 1]" 1
243 1 24 ILE HG13 1 27 ASN H . . 4.000 2.217 2.102 2.367 . 0 0 "[ . 1]" 1
244 1 24 ILE MG 1 25 ALA H . . 4.000 3.806 3.755 3.851 . 0 0 "[ . 1]" 1
245 1 24 ILE MG 1 26 LYS H . . 5.000 4.581 4.535 4.626 . 0 0 "[ . 1]" 1
246 1 24 ILE MG 4 1 1HF H1 . . 5.000 3.072 2.927 3.259 . 0 0 "[ . 1]" 1
247 1 24 ILE MG 4 1 1HF H4 . . 5.000 3.898 3.815 3.978 . 0 0 "[ . 1]" 1
248 1 25 ALA H 1 25 ALA MB . . 2.700 2.176 2.172 2.180 . 0 0 "[ . 1]" 1
249 1 25 ALA H 1 26 LYS H . . 3.500 2.990 2.976 3.009 . 0 0 "[ . 1]" 1
250 1 25 ALA H 1 27 ASN H . . 5.000 4.473 4.377 4.669 . 0 0 "[ . 1]" 1
251 1 25 ALA H 4 1 1HF H1 . . 5.000 4.078 3.933 4.196 . 0 0 "[ . 1]" 1
252 1 25 ALA HA 1 26 LYS H . . 5.000 3.522 3.497 3.535 . 0 0 "[ . 1]" 1
253 1 25 ALA HA 1 27 ASN H . . 5.000 4.028 3.923 4.217 . 0 0 "[ . 1]" 1
254 1 25 ALA HA 1 28 CYS H . . 4.000 3.023 2.978 3.111 . 0 0 "[ . 1]" 1
255 1 25 ALA HA 1 28 CYS HA . . 4.500 4.500 4.438 4.537 0.037 5 0 "[ . 1]" 1
256 1 25 ALA HA 1 28 CYS HB2 . . 2.700 2.155 2.090 2.220 . 0 0 "[ . 1]" 1
257 1 25 ALA HA 1 28 CYS HB3 . . 3.200 2.428 2.277 2.499 . 0 0 "[ . 1]" 1
258 1 25 ALA MB 1 26 LYS H . . 4.000 2.878 2.846 2.910 . 0 0 "[ . 1]" 1
259 1 25 ALA MB 1 37 TRP HH2 . . 4.500 3.287 3.033 3.643 . 0 0 "[ . 1]" 1
260 1 25 ALA MB 1 37 TRP HZ3 . . 4.500 2.737 2.682 2.812 . 0 0 "[ . 1]" 1
261 1 25 ALA MB 1 46 MET ME . . 5.500 3.086 2.862 3.276 . 0 0 "[ . 1]" 1
262 1 25 ALA MB 4 1 1HF H10 . . 6.000 6.029 6.020 6.037 0.037 5 0 "[ . 1]" 1
263 1 25 ALA MB 4 1 1HF H12 . . 3.500 2.977 2.939 3.039 . 0 0 "[ . 1]" 1
264 1 26 LYS H 1 26 LYS HA . . 3.000 2.871 2.852 2.882 . 0 0 "[ . 1]" 1
265 1 26 LYS H 1 26 LYS QB . . 2.700 2.155 2.147 2.169 . 0 0 "[ . 1]" 1
266 1 26 LYS H 1 27 ASN H . . 3.500 2.667 2.610 2.790 . 0 0 "[ . 1]" 1
267 1 26 LYS HA 1 26 LYS QB . . 2.700 2.444 2.424 2.454 . 0 0 "[ . 1]" 1
268 1 26 LYS HA 1 26 LYS QG . . 3.500 2.342 2.328 2.352 . 0 0 "[ . 1]" 1
269 1 26 LYS HA 1 27 ASN H . . 4.500 3.508 3.478 3.563 . 0 0 "[ . 1]" 1
270 1 26 LYS HA 4 1 1HF H10 . . 4.500 4.153 4.005 4.296 . 0 0 "[ . 1]" 1
271 1 26 LYS HA 4 1 1HF H11 . . 4.500 3.672 3.596 3.728 . 0 0 "[ . 1]" 1
272 1 26 LYS HA 4 1 1HF H12 . . 3.500 2.904 2.779 3.058 . 0 0 "[ . 1]" 1
273 1 26 LYS QB 1 26 LYS QE . . 3.700 3.564 3.537 3.656 . 0 0 "[ . 1]" 1
274 1 26 LYS QB 1 27 ASN H . . 3.500 2.750 2.666 2.809 . 0 0 "[ . 1]" 1
275 1 26 LYS QB 4 1 1HF H10 . . 5.000 4.411 4.349 4.483 . 0 0 "[ . 1]" 1
276 1 26 LYS QB 4 1 1HF H12 . . 5.000 4.340 4.168 4.526 . 0 0 "[ . 1]" 1
277 1 26 LYS QB 4 1 1HF H9 . . 5.000 3.533 3.435 3.639 . 0 0 "[ . 1]" 1
278 1 26 LYS QD 4 1 1HF H10 . . 5.000 4.294 4.202 4.444 . 0 0 "[ . 1]" 1
279 1 26 LYS QD 4 1 1HF H9 . . 3.500 2.957 2.876 3.104 . 0 0 "[ . 1]" 1
280 1 26 LYS QE 4 1 1HF H9 . . 5.000 3.280 3.203 3.445 . 0 0 "[ . 1]" 1
281 1 26 LYS QE 5 1 1HF H9 . . 5.500 5.508 5.482 5.517 0.017 6 0 "[ . 1]" 1
282 1 26 LYS QG 4 1 1HF H10 . . 5.000 3.085 3.016 3.165 . 0 0 "[ . 1]" 1
283 1 26 LYS QG 4 1 1HF H12 . . 5.000 4.478 4.312 4.659 . 0 0 "[ . 1]" 1
284 1 26 LYS QG 4 1 1HF H9 . . 5.000 3.220 3.125 3.331 . 0 0 "[ . 1]" 1
285 1 27 ASN H 1 27 ASN HB2 . . 4.000 2.923 2.536 3.787 . 0 0 "[ . 1]" 1
286 1 27 ASN H 1 27 ASN HB3 . . 3.000 2.633 2.416 3.069 0.069 9 0 "[ . 1]" 1
287 1 27 ASN H 1 28 CYS H . . 3.500 2.186 2.155 2.218 . 0 0 "[ . 1]" 1
288 1 27 ASN H 1 28 CYS HB2 . . 5.000 4.226 4.155 4.295 . 0 0 "[ . 1]" 1
289 1 27 ASN H 1 28 CYS HB3 . . 5.000 4.502 4.460 4.545 . 0 0 "[ . 1]" 1
290 1 27 ASN HA 1 27 ASN HB2 . . 2.700 2.511 2.431 2.549 . 0 0 "[ . 1]" 1
291 1 27 ASN HA 1 27 ASN HB3 . . 3.000 2.836 2.357 3.039 0.039 8 0 "[ . 1]" 1
292 1 27 ASN HA 1 28 CYS H . . 3.500 3.440 3.251 3.521 0.021 8 0 "[ . 1]" 1
293 1 27 ASN HB2 1 28 CYS H . . 5.000 4.113 3.942 4.443 . 0 0 "[ . 1]" 1
294 1 27 ASN HB3 1 27 ASN HD21 . . 3.500 2.440 2.295 2.595 . 0 0 "[ . 1]" 1
295 1 27 ASN HB3 1 28 CYS H . . 5.000 3.417 2.856 4.495 . 0 0 "[ . 1]" 1
296 1 28 CYS H 1 28 CYS HB2 . . 2.700 2.350 2.316 2.428 . 0 0 "[ . 1]" 1
297 1 28 CYS H 1 28 CYS HB3 . . 2.700 2.585 2.448 2.666 . 0 0 "[ . 1]" 1
298 1 28 CYS HA 1 28 CYS HB2 . . 2.700 2.476 2.443 2.513 . 0 0 "[ . 1]" 1
299 1 28 CYS HA 1 30 ALA H . . 5.000 3.841 3.781 3.886 . 0 0 "[ . 1]" 1
300 1 28 CYS HB2 1 30 ALA H . . 5.000 4.395 4.357 4.467 . 0 0 "[ . 1]" 1
301 1 28 CYS HB3 4 1 1HF H12 . . 5.000 5.048 5.004 5.075 0.075 10 0 "[ . 1]" 1
302 1 29 ARG HA 1 29 ARG HB3 . . 2.900 2.585 2.432 3.014 0.114 3 0 "[ . 1]" 1
303 1 29 ARG HA 1 29 ARG QD . . 4.500 3.375 2.124 4.506 0.006 4 0 "[ . 1]" 1
304 1 29 ARG HA 1 29 ARG QG . . 3.500 2.827 2.312 3.386 . 0 0 "[ . 1]" 1
305 1 29 ARG HA 1 30 ALA H . . 3.500 3.339 3.186 3.454 . 0 0 "[ . 1]" 1
306 1 29 ARG HB2 1 29 ARG QD . . 3.800 2.904 2.395 3.502 . 0 0 "[ . 1]" 1
307 1 29 ARG HB2 1 30 ALA H . . 5.000 3.920 3.638 4.443 . 0 0 "[ . 1]" 1
308 1 30 ALA H 1 30 ALA MB . . 3.000 2.226 2.212 2.250 . 0 0 "[ . 1]" 1
309 1 30 ALA H 1 31 PRO HD2 . . 5.000 4.897 4.867 5.055 0.055 3 0 "[ . 1]" 1
310 1 30 ALA HA 1 31 PRO HD2 . . 2.500 2.457 2.414 2.550 0.050 3 0 "[ . 1]" 1
311 1 30 ALA HA 1 31 PRO HD3 . . 2.700 2.552 2.137 2.640 . 0 0 "[ . 1]" 1
312 1 30 ALA MB 1 31 PRO HD2 . . 4.500 2.171 2.135 2.400 . 0 0 "[ . 1]" 1
313 1 30 ALA MB 1 31 PRO HD3 . . 5.000 3.458 3.335 3.485 . 0 0 "[ . 1]" 1
314 1 31 PRO HA 1 32 ARG H . . 2.500 2.219 2.188 2.265 . 0 0 "[ . 1]" 1
315 1 31 PRO HB2 1 32 ARG H . . 3.500 3.231 3.043 3.551 0.051 3 0 "[ . 1]" 1
316 1 32 ARG H 1 32 ARG HB2 . . 3.500 2.558 2.484 2.631 . 0 0 "[ . 1]" 1
317 1 32 ARG H 1 32 ARG QG . . 3.000 2.525 2.417 2.659 . 0 0 "[ . 1]" 1
318 1 32 ARG HA 1 32 ARG QG . . 3.000 2.408 2.366 2.445 . 0 0 "[ . 1]" 1
319 1 32 ARG HA 1 33 LYS H . . 2.700 2.068 2.036 2.080 . 0 0 "[ . 1]" 1
320 1 32 ARG HA 1 37 TRP HZ2 . . 5.000 3.419 3.267 3.563 . 0 0 "[ . 1]" 1
321 1 32 ARG HA 5 1 1HF H6 . . 5.000 4.690 4.566 4.790 . 0 0 "[ . 1]" 1
322 1 32 ARG HA 5 1 1HF H7 . . 4.000 4.133 4.096 4.164 0.164 10 0 "[ . 1]" 1
323 1 32 ARG HB2 1 32 ARG HD2 . . 2.900 2.593 2.556 2.642 . 0 0 "[ . 1]" 1
324 1 32 ARG HB2 1 32 ARG HD3 . . 3.200 3.097 2.943 3.215 0.015 3 0 "[ . 1]" 1
325 1 32 ARG HB2 1 33 LYS H . . 5.000 4.033 3.955 4.107 . 0 0 "[ . 1]" 1
326 1 32 ARG HB2 1 37 TRP HE1 . . 5.000 5.063 5.039 5.084 0.084 5 0 "[ . 1]" 1
327 1 32 ARG HB2 1 37 TRP HH2 . . 5.500 5.507 5.462 5.528 0.028 3 0 "[ . 1]" 1
328 1 32 ARG HB2 1 37 TRP HZ2 . . 4.000 3.826 3.802 3.871 . 0 0 "[ . 1]" 1
329 1 32 ARG HB2 5 1 1HF H6 . . 3.500 2.676 2.402 3.026 . 0 0 "[ . 1]" 1
330 1 32 ARG HB3 1 32 ARG HD2 . . 3.200 3.094 3.004 3.212 0.012 10 0 "[ . 1]" 1
331 1 32 ARG HB3 1 32 ARG HD3 . . 2.700 2.509 2.441 2.570 . 0 0 "[ . 1]" 1
332 1 32 ARG HB3 1 32 ARG QG . . 2.700 2.380 2.343 2.409 . 0 0 "[ . 1]" 1
333 1 32 ARG HB3 1 33 LYS H . . 5.000 3.008 2.889 3.152 . 0 0 "[ . 1]" 1
334 1 32 ARG HB3 1 37 TRP HH2 . . 5.000 4.319 4.262 4.373 . 0 0 "[ . 1]" 1
335 1 32 ARG HB3 1 37 TRP HZ2 . . 3.000 2.247 2.210 2.277 . 0 0 "[ . 1]" 1
336 1 32 ARG HB3 5 1 1HF H6 . . 3.500 2.641 2.511 2.762 . 0 0 "[ . 1]" 1
337 1 32 ARG HD2 1 37 TRP HH2 . . 5.000 4.239 4.213 4.258 . 0 0 "[ . 1]" 1
338 1 32 ARG HD2 1 37 TRP HZ2 . . 4.500 3.810 3.784 3.842 . 0 0 "[ . 1]" 1
339 1 32 ARG HD2 5 1 1HF H4 . . 5.000 4.836 4.514 5.014 0.014 6 0 "[ . 1]" 1
340 1 32 ARG HD3 1 37 TRP HH2 . . 5.500 2.611 2.554 2.688 . 0 0 "[ . 1]" 1
341 1 32 ARG HD3 1 37 TRP HZ2 . . 4.500 2.256 2.210 2.280 . 0 0 "[ . 1]" 1
342 1 32 ARG HD3 5 1 1HF H4 . . 5.000 3.976 3.834 4.114 . 0 0 "[ . 1]" 1
343 1 32 ARG QG 1 33 LYS H . . 5.000 4.015 3.911 4.105 . 0 0 "[ . 1]" 1
344 1 33 LYS H 1 33 LYS QB . . 3.500 2.372 2.309 2.443 . 0 0 "[ . 1]" 1
345 1 33 LYS H 1 33 LYS HG3 . . 4.500 2.167 2.051 2.292 . 0 0 "[ . 1]" 1
346 1 33 LYS H 1 34 LYS H . . 5.000 4.660 4.630 4.692 . 0 0 "[ . 1]" 1
347 1 33 LYS HA 1 33 LYS QB . . 2.700 2.419 2.383 2.449 . 0 0 "[ . 1]" 1
348 1 33 LYS HA 1 33 LYS HG2 . . 3.000 2.491 2.460 2.542 . 0 0 "[ . 1]" 1
349 1 33 LYS HA 1 34 LYS H . . 2.700 2.452 2.389 2.517 . 0 0 "[ . 1]" 1
350 1 33 LYS QB 1 33 LYS HG3 . . 2.700 2.404 2.354 2.422 . 0 0 "[ . 1]" 1
351 1 33 LYS QB 1 34 LYS H . . 3.700 2.301 2.158 2.430 . 0 0 "[ . 1]" 1
352 1 33 LYS QB 1 37 TRP HD1 . . 4.000 3.213 2.978 3.548 . 0 0 "[ . 1]" 1
353 1 33 LYS QB 1 37 TRP HE1 . . 4.500 2.841 2.591 3.144 . 0 0 "[ . 1]" 1
354 1 33 LYS QD 1 37 TRP HD1 . . 3.500 2.332 2.247 2.768 . 0 0 "[ . 1]" 1
355 1 33 LYS QE 1 33 LYS HG2 . . 3.700 2.408 2.344 2.537 . 0 0 "[ . 1]" 1
356 1 33 LYS QE 1 33 LYS HG3 . . 3.500 2.692 2.275 3.158 . 0 0 "[ . 1]" 1
357 1 33 LYS HG2 1 34 LYS H . . 4.000 3.862 3.695 4.025 0.025 8 0 "[ . 1]" 1
358 1 33 LYS HG2 1 37 TRP HD1 . . 5.000 5.031 5.019 5.043 0.043 1 0 "[ . 1]" 1
359 1 33 LYS HG2 1 37 TRP HE1 . . 5.000 4.728 4.604 4.851 . 0 0 "[ . 1]" 1
360 1 33 LYS HG3 1 37 TRP HD1 . . 4.000 3.849 3.515 4.004 0.004 5 0 "[ . 1]" 1
361 1 33 LYS HG3 1 37 TRP HE1 . . 4.700 3.133 2.902 3.348 . 0 0 "[ . 1]" 1
362 1 33 LYS HG3 5 1 1HF H7 . . 5.000 4.920 4.535 5.044 0.044 9 0 "[ . 1]" 1
363 1 34 LYS H 1 34 LYS QB . . 2.700 2.375 2.251 2.460 . 0 0 "[ . 1]" 1
364 1 34 LYS HA 1 35 GLY H . . 2.900 2.972 2.940 3.003 0.103 1 0 "[ . 1]" 1
365 1 34 LYS QB 1 35 GLY H . . 4.500 3.810 3.757 3.884 . 0 0 "[ . 1]" 1
366 1 35 GLY H 1 35 GLY HA3 . . 2.900 2.805 2.740 2.853 . 0 0 "[ . 1]" 1
367 1 35 GLY H 5 1 1HF H7 . . 3.500 3.401 3.151 3.512 0.012 4 0 "[ . 1]" 1
368 1 35 GLY HA3 1 36 CYS H . . 2.900 2.448 2.409 2.525 . 0 0 "[ . 1]" 1
369 1 35 GLY HA3 1 42 GLU HA . . 3.500 2.319 2.177 2.504 . 0 0 "[ . 1]" 1
370 1 36 CYS H 1 36 CYS HB2 . . 3.500 2.381 2.338 2.441 . 0 0 "[ . 1]" 1
371 1 36 CYS H 1 36 CYS HB3 . . 3.000 2.308 2.248 2.366 . 0 0 "[ . 1]" 1
372 1 36 CYS H 1 37 TRP H . . 5.000 4.644 4.625 4.660 . 0 0 "[ . 1]" 1
373 1 36 CYS H 1 42 GLU HA . . 3.500 3.370 3.134 3.521 0.021 2 0 "[ . 1]" 1
374 1 36 CYS HA 1 36 CYS HB2 . . 3.000 2.389 2.367 2.409 . 0 0 "[ . 1]" 1
375 1 36 CYS HA 1 37 TRP H . . 3.500 2.203 2.186 2.226 . 0 0 "[ . 1]" 1
376 1 36 CYS HA 1 38 LYS H . . 5.000 3.688 3.649 3.719 . 0 0 "[ . 1]" 1
377 1 36 CYS HA 1 46 MET H . . 5.000 3.606 3.430 3.822 . 0 0 "[ . 1]" 1
378 1 36 CYS HA 5 1 1HF H1 . . 3.500 2.935 2.706 3.122 . 0 0 "[ . 1]" 1
379 1 36 CYS HB2 1 37 TRP H . . 5.000 4.148 4.128 4.199 . 0 0 "[ . 1]" 1
380 1 36 CYS HB2 1 40 GLY H . . 5.000 4.170 3.915 4.312 . 0 0 "[ . 1]" 1
381 1 36 CYS HB2 1 44 HIS H . . 5.000 4.372 4.214 4.499 . 0 0 "[ . 1]" 1
382 1 36 CYS HB2 1 44 HIS HD2 . . 5.000 3.288 2.704 3.675 . 0 0 "[ . 1]" 1
383 1 36 CYS HB3 1 39 CYS H . . 4.500 3.170 3.101 3.257 . 0 0 "[ . 1]" 1
384 1 36 CYS HB3 1 40 GLY H . . 4.500 2.531 2.240 2.687 . 0 0 "[ . 1]" 1
385 1 36 CYS HB3 1 41 LYS H . . 3.800 2.886 2.730 3.052 . 0 0 "[ . 1]" 1
386 1 36 CYS HB3 1 44 HIS HE1 . . 5.000 3.535 3.147 4.356 . 0 0 "[ . 1]" 1
387 1 37 TRP H 1 37 TRP QB . . 2.700 2.507 2.471 2.542 . 0 0 "[ . 1]" 1
388 1 37 TRP H 1 37 TRP HD1 . . 4.500 3.893 3.840 3.975 . 0 0 "[ . 1]" 1
389 1 37 TRP H 1 38 LYS H . . 3.500 2.474 2.400 2.560 . 0 0 "[ . 1]" 1
390 1 37 TRP H 1 45 GLN HA . . 5.500 4.922 4.690 5.085 . 0 0 "[ . 1]" 1
391 1 37 TRP H 1 46 MET H . . 5.000 3.922 3.768 4.084 . 0 0 "[ . 1]" 1
392 1 37 TRP H 1 46 MET HB2 . . 5.000 4.347 4.182 4.520 . 0 0 "[ . 1]" 1
393 1 37 TRP H 1 46 MET HB3 . . 3.500 2.749 2.608 2.882 . 0 0 "[ . 1]" 1
394 1 37 TRP H 5 1 1HF H1 . . 3.500 3.203 3.028 3.425 . 0 0 "[ . 1]" 1
395 1 37 TRP HA 1 37 TRP QB . . 2.700 2.313 2.302 2.327 . 0 0 "[ . 1]" 1
396 1 37 TRP HA 1 37 TRP HD1 . . 2.700 2.526 2.460 2.593 . 0 0 "[ . 1]" 1
397 1 37 TRP HA 5 1 1HF H1 . . 5.000 4.685 4.541 4.908 . 0 0 "[ . 1]" 1
398 1 37 TRP QB 1 37 TRP HD1 . . 3.500 2.979 2.946 3.014 . 0 0 "[ . 1]" 1
399 1 37 TRP QB 1 37 TRP HE3 . . 2.700 2.454 2.433 2.484 . 0 0 "[ . 1]" 1
400 1 37 TRP QB 1 38 LYS H . . 4.000 3.138 3.056 3.242 . 0 0 "[ . 1]" 1
401 1 37 TRP HD1 5 1 1HF H1 . . 5.000 3.734 3.559 3.973 . 0 0 "[ . 1]" 1
402 1 37 TRP HE1 5 1 1HF H7 . . 5.000 3.316 3.154 3.438 . 0 0 "[ . 1]" 1
403 1 37 TRP HE3 1 46 MET ME . . 3.000 2.253 2.220 2.283 . 0 0 "[ . 1]" 1
404 1 37 TRP HH2 4 1 1HF H12 . . 3.000 2.259 2.168 2.409 . 0 0 "[ . 1]" 1
405 1 37 TRP HH2 5 1 1HF H4 . . 4.000 3.732 3.538 3.998 . 0 0 "[ . 1]" 1
406 1 37 TRP HZ2 5 1 1HF H4 . . 5.000 4.635 4.452 4.893 . 0 0 "[ . 1]" 1
407 1 37 TRP HZ2 5 1 1HF H6 . . 5.000 4.205 4.036 4.373 . 0 0 "[ . 1]" 1
408 1 38 LYS H 1 38 LYS HB2 . . 3.200 2.684 2.561 2.832 . 0 0 "[ . 1]" 1
409 1 38 LYS H 1 38 LYS HB3 . . 2.900 2.452 2.335 2.641 . 0 0 "[ . 1]" 1
410 1 38 LYS H 1 38 LYS HG2 . . 5.000 4.464 4.360 4.688 . 0 0 "[ . 1]" 1
411 1 38 LYS H 1 39 CYS H . . 2.700 2.434 2.361 2.527 . 0 0 "[ . 1]" 1
412 1 38 LYS H 1 40 GLY H . . 4.500 3.572 3.480 3.713 . 0 0 "[ . 1]" 1
413 1 38 LYS H 1 46 MET HA . . 5.000 4.334 4.221 4.553 . 0 0 "[ . 1]" 1
414 1 38 LYS H 1 46 MET HB3 . . 3.800 2.619 2.484 2.715 . 0 0 "[ . 1]" 1
415 1 38 LYS HA 1 38 LYS HG3 . . 3.700 2.576 2.424 2.929 . 0 0 "[ . 1]" 1
416 1 38 LYS HA 1 39 CYS H . . 5.000 3.565 3.538 3.586 . 0 0 "[ . 1]" 1
417 1 38 LYS HB2 1 38 LYS QE . . 5.000 3.313 2.511 3.971 . 0 0 "[ . 1]" 1
418 1 38 LYS HB2 1 39 CYS H . . 4.000 4.066 4.036 4.097 0.097 6 0 "[ . 1]" 1
419 1 38 LYS HB3 1 39 CYS H . . 4.000 2.919 2.819 3.062 . 0 0 "[ . 1]" 1
420 1 38 LYS HB3 1 39 CYS HB3 . . 5.000 4.357 4.238 4.429 . 0 0 "[ . 1]" 1
421 1 38 LYS HB3 5 1 1HF H12 . . 5.500 5.605 5.591 5.619 0.119 7 0 "[ . 1]" 1
422 1 38 LYS QD 5 1 1HF H12 . . 5.000 3.951 3.356 5.004 0.004 2 0 "[ . 1]" 1
423 1 39 CYS H 1 39 CYS HB2 . . 4.000 3.886 3.868 3.919 . 0 0 "[ . 1]" 1
424 1 39 CYS H 1 39 CYS HB3 . . 3.200 3.008 2.948 3.082 . 0 0 "[ . 1]" 1
425 1 39 CYS H 1 40 GLY H . . 2.700 2.122 2.053 2.172 . 0 0 "[ . 1]" 1
426 1 39 CYS H 1 40 GLY HA3 . . 5.500 4.906 4.846 4.955 . 0 0 "[ . 1]" 1
427 1 39 CYS H 1 41 LYS H . . 5.000 4.109 3.993 4.201 . 0 0 "[ . 1]" 1
428 1 39 CYS HA 1 39 CYS HB2 . . 2.700 2.279 2.258 2.302 . 0 0 "[ . 1]" 1
429 1 39 CYS HA 1 40 GLY H . . 3.500 3.493 3.467 3.534 0.034 7 0 "[ . 1]" 1
430 1 39 CYS HA 1 41 LYS H . . 5.500 4.618 4.514 4.692 . 0 0 "[ . 1]" 1
431 1 39 CYS HB3 1 40 GLY H . . 5.000 4.194 4.090 4.243 . 0 0 "[ . 1]" 1
432 1 40 GLY H 1 40 GLY HA3 . . 3.000 2.974 2.963 2.997 . 0 0 "[ . 1]" 1
433 1 40 GLY H 1 41 LYS H . . 3.500 2.746 2.634 2.797 . 0 0 "[ . 1]" 1
434 1 40 GLY HA3 1 41 LYS H . . 3.500 3.251 3.205 3.307 . 0 0 "[ . 1]" 1
435 1 41 LYS H 1 41 LYS HA . . 3.000 2.925 2.908 2.948 . 0 0 "[ . 1]" 1
436 1 41 LYS H 1 41 LYS QB . . 2.700 2.377 2.283 2.467 . 0 0 "[ . 1]" 1
437 1 41 LYS H 1 41 LYS QD . . 4.000 3.575 2.279 4.051 0.051 5 0 "[ . 1]" 1
438 1 41 LYS H 1 41 LYS QG . . 4.500 2.664 2.282 3.448 . 0 0 "[ . 1]" 1
439 1 41 LYS H 1 44 HIS HE1 . . 5.000 3.582 3.353 4.153 . 0 0 "[ . 1]" 1
440 1 41 LYS HA 1 41 LYS QB . . 2.700 2.403 2.348 2.447 . 0 0 "[ . 1]" 1
441 1 41 LYS HA 1 41 LYS QG . . 3.000 2.328 2.206 2.530 . 0 0 "[ . 1]" 1
442 1 41 LYS HA 1 42 GLU H . . 2.900 2.304 2.273 2.345 . 0 0 "[ . 1]" 1
443 1 41 LYS QB 1 42 GLU H . . 5.000 2.495 2.327 2.626 . 0 0 "[ . 1]" 1
444 1 41 LYS QB 1 44 HIS HE1 . . 3.000 2.120 2.073 2.194 . 0 0 "[ . 1]" 1
445 1 41 LYS QD 1 44 HIS HE1 . . 4.500 3.984 2.907 4.397 . 0 0 "[ . 1]" 1
446 1 41 LYS QE 1 41 LYS QG . . 3.000 2.485 2.284 2.942 . 0 0 "[ . 1]" 1
447 1 41 LYS QE 1 44 HIS HE1 . . 5.000 4.216 3.036 5.019 0.019 1 0 "[ . 1]" 1
448 1 41 LYS QG 1 42 GLU H . . 5.000 3.676 3.333 3.992 . 0 0 "[ . 1]" 1
449 1 42 GLU H 1 42 GLU HA . . 3.000 2.907 2.854 2.942 . 0 0 "[ . 1]" 1
450 1 42 GLU H 1 42 GLU HB2 . . 4.000 3.620 3.599 3.643 . 0 0 "[ . 1]" 1
451 1 42 GLU H 1 42 GLU HB3 . . 3.000 2.663 2.522 2.773 . 0 0 "[ . 1]" 1
452 1 42 GLU H 1 42 GLU HG2 . . 3.500 2.477 2.091 2.841 . 0 0 "[ . 1]" 1
453 1 42 GLU H 1 42 GLU HG3 . . 5.000 3.538 3.279 3.777 . 0 0 "[ . 1]" 1
454 1 42 GLU HA 1 42 GLU HB2 . . 2.700 2.413 2.398 2.437 . 0 0 "[ . 1]" 1
455 1 42 GLU HA 1 42 GLU HB3 . . 2.700 2.428 2.414 2.442 . 0 0 "[ . 1]" 1
456 1 42 GLU HA 1 43 GLY H . . 3.500 2.422 2.311 2.528 . 0 0 "[ . 1]" 1
457 1 42 GLU HA 1 44 HIS H . . 5.000 3.800 3.564 4.387 . 0 0 "[ . 1]" 1
458 1 43 GLY H 1 44 HIS H . . 5.000 3.051 2.825 3.693 . 0 0 "[ . 1]" 1
459 1 43 GLY HA3 1 44 HIS H . . 3.500 3.262 2.648 3.458 . 0 0 "[ . 1]" 1
460 1 44 HIS H 1 44 HIS HA . . 3.000 2.923 2.900 2.936 . 0 0 "[ . 1]" 1
461 1 44 HIS H 1 44 HIS QB . . 3.500 3.071 2.537 3.226 . 0 0 "[ . 1]" 1
462 1 44 HIS HA 1 44 HIS QB . . 2.700 2.183 2.162 2.193 . 0 0 "[ . 1]" 1
463 1 44 HIS HA 1 45 GLN H . . 2.700 2.347 2.301 2.385 . 0 0 "[ . 1]" 1
464 1 44 HIS QB 1 44 HIS HD2 . . 2.700 2.597 2.544 2.726 0.026 2 0 "[ . 1]" 1
465 1 44 HIS QB 1 45 GLN H . . 2.700 2.513 2.458 2.586 . 0 0 "[ . 1]" 1
466 1 44 HIS QB 1 48 ASP HB3 . . 4.000 2.676 2.457 3.049 . 0 0 "[ . 1]" 1
467 1 44 HIS HD2 1 45 GLN H . . 5.000 3.692 3.464 3.787 . 0 0 "[ . 1]" 1
468 1 44 HIS HD2 1 45 GLN QB . . 5.000 4.884 4.657 5.019 0.019 7 0 "[ . 1]" 1
469 1 44 HIS HD2 1 46 MET HA . . 4.000 3.182 2.949 3.436 . 0 0 "[ . 1]" 1
470 1 44 HIS HD2 1 49 CYS H . . 5.000 3.420 2.920 3.921 . 0 0 "[ . 1]" 1
471 1 44 HIS HD2 1 49 CYS HA . . 4.000 3.905 3.558 4.036 0.036 7 0 "[ . 1]" 1
472 1 44 HIS HD2 1 49 CYS HB2 . . 5.000 2.192 2.109 2.309 . 0 0 "[ . 1]" 1
473 1 45 GLN H 1 45 GLN QB . . 3.200 2.397 2.372 2.440 . 0 0 "[ . 1]" 1
474 1 45 GLN H 1 45 GLN HG2 . . 5.000 3.978 3.886 4.041 . 0 0 "[ . 1]" 1
475 1 45 GLN H 1 45 GLN HG3 . . 3.500 2.990 2.898 3.075 . 0 0 "[ . 1]" 1
476 1 45 GLN H 1 48 ASP HB3 . . 3.500 3.128 2.717 3.425 . 0 0 "[ . 1]" 1
477 1 45 GLN HA 1 45 GLN HG2 . . 2.900 2.474 2.449 2.498 . 0 0 "[ . 1]" 1
478 1 45 GLN HA 1 45 GLN HG3 . . 3.200 3.096 3.073 3.115 . 0 0 "[ . 1]" 1
479 1 45 GLN HA 1 46 MET H . . 2.700 2.299 2.267 2.342 . 0 0 "[ . 1]" 1
480 1 45 GLN HA 1 47 LYS H . . 5.000 4.309 4.252 4.377 . 0 0 "[ . 1]" 1
481 1 45 GLN QB 1 45 GLN HE22 . . 5.000 4.172 4.160 4.185 . 0 0 "[ . 1]" 1
482 1 45 GLN QB 1 45 GLN HG3 . . 2.700 2.372 2.364 2.378 . 0 0 "[ . 1]" 1
483 1 45 GLN QB 1 46 MET H . . 3.500 2.807 2.759 2.863 . 0 0 "[ . 1]" 1
484 1 45 GLN QB 1 47 LYS H . . 4.000 2.840 2.756 2.930 . 0 0 "[ . 1]" 1
485 1 45 GLN QB 1 48 ASP H . . 5.500 3.391 3.045 3.672 . 0 0 "[ . 1]" 1
486 1 45 GLN QB 5 1 1HF H4 . . 5.000 4.308 4.155 4.557 . 0 0 "[ . 1]" 1
487 1 45 GLN HE22 1 45 GLN HG2 . . 3.500 3.639 3.615 3.652 0.152 1 0 "[ . 1]" 1
488 1 45 GLN HE22 1 45 GLN HG3 . . 3.500 3.748 3.739 3.772 0.272 10 0 "[ . 1]" 1
489 1 45 GLN HG2 5 1 1HF H4 . . 3.500 2.949 2.715 3.504 0.004 4 0 "[ . 1]" 1
490 1 45 GLN HG3 1 46 MET H . . 5.000 5.028 5.012 5.041 0.041 10 0 "[ . 1]" 1
491 1 45 GLN HG3 5 1 1HF H4 . . 5.000 4.413 4.195 4.900 . 0 0 "[ . 1]" 1
492 1 46 MET H 1 46 MET HB2 . . 3.500 3.560 3.544 3.573 0.073 2 0 "[ . 1]" 1
493 1 46 MET H 1 46 MET HB3 . . 3.000 2.510 2.445 2.559 . 0 0 "[ . 1]" 1
494 1 46 MET H 1 47 LYS H . . 3.500 3.021 2.999 3.059 . 0 0 "[ . 1]" 1
495 1 46 MET HA 1 46 MET HB3 . . 2.800 2.402 2.377 2.421 . 0 0 "[ . 1]" 1
496 1 46 MET HA 1 47 LYS H . . 5.000 3.440 3.403 3.482 . 0 0 "[ . 1]" 1
497 1 46 MET HA 1 48 ASP H . . 5.000 3.788 3.629 3.929 . 0 0 "[ . 1]" 1
498 1 46 MET HA 1 49 CYS H . . 4.500 3.069 2.945 3.303 . 0 0 "[ . 1]" 1
499 1 46 MET HA 1 49 CYS HB2 . . 4.000 2.573 2.316 3.004 . 0 0 "[ . 1]" 1
500 1 46 MET HA 1 49 CYS HB3 . . 3.000 2.415 2.251 2.589 . 0 0 "[ . 1]" 1
501 1 46 MET HB2 5 1 1HF H12 . . 5.000 3.693 3.546 3.822 . 0 0 "[ . 1]" 1
502 1 47 LYS H 1 47 LYS HA . . 2.900 2.940 2.916 2.956 0.056 9 0 "[ . 1]" 1
503 1 47 LYS H 1 47 LYS HB2 . . 3.700 3.654 3.631 3.678 . 0 0 "[ . 1]" 1
504 1 47 LYS H 1 47 LYS HB3 . . 3.000 2.994 2.964 3.014 0.014 8 0 "[ . 1]" 1
505 1 47 LYS H 1 47 LYS HG2 . . 3.200 2.053 1.967 2.126 . 0 0 "[ . 1]" 1
506 1 47 LYS H 1 47 LYS HG3 . . 3.700 2.671 2.635 2.732 . 0 0 "[ . 1]" 1
507 1 47 LYS HA 1 47 LYS HB2 . . 2.900 2.519 2.481 2.550 . 0 0 "[ . 1]" 1
508 1 47 LYS HA 1 47 LYS HB3 . . 2.900 2.322 2.301 2.351 . 0 0 "[ . 1]" 1
509 1 47 LYS HA 1 47 LYS HG3 . . 4.000 3.804 3.777 3.834 . 0 0 "[ . 1]" 1
510 1 47 LYS HA 1 48 ASP H . . 3.500 3.489 3.478 3.505 0.005 10 0 "[ . 1]" 1
511 1 47 LYS HA 1 49 CYS H . . 5.500 3.823 3.581 4.158 . 0 0 "[ . 1]" 1
512 1 47 LYS HB2 1 47 LYS HG3 . . 3.000 2.583 2.561 2.599 . 0 0 "[ . 1]" 1
513 1 47 LYS HB2 1 48 ASP H . . 5.000 3.979 3.935 4.024 . 0 0 "[ . 1]" 1
514 1 47 LYS HB2 5 1 1HF H12 . . 5.000 5.041 5.027 5.059 0.059 4 0 "[ . 1]" 1
515 1 47 LYS HB2 5 1 1HF H9 . . 5.000 4.642 4.611 4.667 . 0 0 "[ . 1]" 1
516 1 47 LYS HB3 1 48 ASP H . . 4.500 4.393 4.346 4.428 . 0 0 "[ . 1]" 1
517 1 47 LYS HB3 5 1 1HF H10 . . 5.000 3.318 3.223 3.408 . 0 0 "[ . 1]" 1
518 1 47 LYS HB3 5 1 1HF H12 . . 5.000 3.675 3.612 3.763 . 0 0 "[ . 1]" 1
519 1 47 LYS HB3 5 1 1HF H9 . . 3.700 3.381 3.267 3.478 . 0 0 "[ . 1]" 1
520 1 47 LYS HD2 1 47 LYS HE2 . . 3.000 3.037 3.034 3.042 0.042 6 0 "[ . 1]" 1
521 1 47 LYS HD2 1 47 LYS HE3 . . 2.700 2.414 2.404 2.438 . 0 0 "[ . 1]" 1
522 1 47 LYS HD2 1 47 LYS HG2 . . 3.000 3.037 3.034 3.039 0.039 9 0 "[ . 1]" 1
523 1 47 LYS HD3 5 1 1HF H9 . . 4.500 2.661 2.610 2.786 . 0 0 "[ . 1]" 1
524 1 47 LYS HE3 1 47 LYS HG2 . . 3.500 3.185 3.122 3.221 . 0 0 "[ . 1]" 1
525 1 47 LYS HG2 1 48 ASP H . . 5.000 3.676 3.575 3.783 . 0 0 "[ . 1]" 1
526 1 47 LYS HG2 5 1 1HF H10 . . 5.000 5.088 5.081 5.098 0.098 4 0 "[ . 1]" 1
527 1 47 LYS HG2 5 1 1HF H12 . . 5.000 5.016 4.958 5.038 0.038 10 0 "[ . 1]" 1
528 1 47 LYS HG2 5 1 1HF H9 . . 5.000 3.927 3.877 3.985 . 0 0 "[ . 1]" 1
529 1 47 LYS HG3 1 48 ASP H . . 3.000 2.789 2.678 2.880 . 0 0 "[ . 1]" 1
530 1 48 ASP H 1 48 ASP HA . . 3.000 2.964 2.956 2.970 . 0 0 "[ . 1]" 1
531 1 48 ASP H 1 48 ASP HB2 . . 3.500 2.641 2.591 2.718 . 0 0 "[ . 1]" 1
532 1 48 ASP H 1 48 ASP HB3 . . 2.700 2.488 2.464 2.522 . 0 0 "[ . 1]" 1
533 1 48 ASP H 1 49 CYS H . . 2.700 2.294 2.195 2.425 . 0 0 "[ . 1]" 1
534 1 48 ASP HA 1 48 ASP HB2 . . 2.700 2.508 2.487 2.535 . 0 0 "[ . 1]" 1
535 1 48 ASP HA 1 49 CYS H . . 4.500 3.430 3.354 3.511 . 0 0 "[ . 1]" 1
536 1 48 ASP HB2 1 49 CYS H . . 5.000 4.119 3.979 4.295 . 0 0 "[ . 1]" 1
537 1 48 ASP HB3 1 49 CYS H . . 3.500 3.144 2.829 3.504 0.004 7 0 "[ . 1]" 1
538 1 49 CYS H 1 49 CYS HB2 . . 2.700 2.463 2.292 2.692 . 0 0 "[ . 1]" 1
539 1 49 CYS H 1 49 CYS HB3 . . 3.000 2.477 2.228 2.654 . 0 0 "[ . 1]" 1
540 1 49 CYS HA 1 49 CYS HB2 . . 2.700 2.482 2.377 2.579 . 0 0 "[ . 1]" 1
541 1 49 CYS HA 1 50 THR H . . 2.700 2.326 2.145 2.733 0.033 3 0 "[ . 1]" 1
542 1 49 CYS HA 1 51 GLU H . . 5.000 4.192 3.453 5.006 0.006 5 0 "[ . 1]" 1
543 1 49 CYS HB3 1 50 THR H . . 5.000 4.067 3.087 4.499 . 0 0 "[ . 1]" 1
544 1 50 THR H 1 50 THR HA . . 3.000 2.953 2.897 3.000 0.000 2 0 "[ . 1]" 1
545 1 50 THR H 1 50 THR MG . . 4.000 2.998 2.420 3.830 . 0 0 "[ . 1]" 1
546 1 50 THR H 1 51 GLU H . . 3.500 2.500 2.096 2.893 . 0 0 "[ . 1]" 1
547 1 50 THR HA 1 50 THR MG . . 2.700 2.324 2.289 2.370 . 0 0 "[ . 1]" 1
548 1 50 THR HA 1 51 GLU H . . 3.500 3.511 3.437 3.538 0.038 6 0 "[ . 1]" 1
549 1 50 THR MG 1 51 GLU H . . 5.000 3.897 3.621 4.315 . 0 0 "[ . 1]" 1
550 1 51 GLU H 1 51 GLU HA . . 3.000 2.942 2.857 2.994 . 0 0 "[ . 1]" 1
551 1 51 GLU H 1 51 GLU HB2 . . 4.000 3.763 3.623 3.925 . 0 0 "[ . 1]" 1
552 1 51 GLU H 1 51 GLU HB3 . . 3.000 2.933 2.584 3.160 0.160 8 0 "[ . 1]" 1
553 1 51 GLU H 1 51 GLU HG2 . . 3.500 2.240 2.038 2.522 . 0 0 "[ . 1]" 1
554 1 51 GLU H 1 51 GLU HG3 . . 5.000 3.244 3.023 3.505 . 0 0 "[ . 1]" 1
555 1 51 GLU H 1 52 ARG H . . 5.000 4.551 4.420 4.698 . 0 0 "[ . 1]" 1
556 1 51 GLU HA 1 51 GLU HB3 . . 2.700 2.437 2.367 2.501 . 0 0 "[ . 1]" 1
557 1 51 GLU HA 1 52 ARG H . . 2.700 2.349 2.135 2.502 . 0 0 "[ . 1]" 1
558 1 51 GLU HB2 1 51 GLU HG3 . . 2.700 2.492 2.465 2.562 . 0 0 "[ . 1]" 1
559 1 51 GLU HB2 1 52 ARG H . . 3.500 2.583 2.281 2.976 . 0 0 "[ . 1]" 1
560 1 51 GLU HB3 1 51 GLU HG2 . . 3.000 2.484 2.417 2.504 . 0 0 "[ . 1]" 1
561 1 52 ARG H 1 52 ARG QB . . 2.700 2.518 2.222 2.711 0.011 10 0 "[ . 1]" 1
562 1 52 ARG H 1 52 ARG QG . . 4.000 2.710 2.108 4.033 0.033 8 0 "[ . 1]" 1
563 1 52 ARG HA 1 52 ARG QB . . 2.700 2.333 2.144 2.465 . 0 0 "[ . 1]" 1
564 1 53 GLN H 1 53 GLN HA . . 3.000 2.953 2.866 2.995 . 0 0 "[ . 1]" 1
565 1 53 GLN H 1 53 GLN HB2 . . 3.500 2.516 2.284 2.792 . 0 0 "[ . 1]" 1
566 1 53 GLN HA 1 53 GLN HB3 . . 2.700 2.488 2.427 2.596 . 0 0 "[ . 1]" 1
567 1 53 GLN HA 1 53 GLN QG . . 2.700 2.416 2.313 2.492 . 0 0 "[ . 1]" 1
568 1 53 GLN HA 1 54 ALA H . . 5.000 2.748 2.240 3.555 . 0 0 "[ . 1]" 1
569 1 53 GLN HB2 1 54 ALA H . . 5.000 3.552 2.628 3.955 . 0 0 "[ . 1]" 1
570 1 54 ALA HA 1 55 ASN H . . 3.500 2.722 2.290 3.430 . 0 0 "[ . 1]" 1
571 1 55 ASN HA 1 55 ASN HB2 . . 2.700 2.477 2.328 2.605 . 0 0 "[ . 1]" 1
572 1 55 ASN HA 1 55 ASN HB3 . . 3.000 2.999 2.631 3.045 0.045 6 0 "[ . 1]" 1
573 4 1 1HF H10 4 1 1HF H9 . . 3.000 2.405 2.398 2.410 . 0 0 "[ . 1]" 1
574 5 1 1HF H10 5 1 1HF H9 . . 3.000 2.400 2.390 2.405 . 0 0 "[ . 1]" 1
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