NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
573745 |
2mij   |
19683 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mij
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 459
_Distance_constraint_stats_list.Viol_count 2051
_Distance_constraint_stats_list.Viol_total 5549.626
_Distance_constraint_stats_list.Viol_max 1.249
_Distance_constraint_stats_list.Viol_rms 0.1075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0537
_Distance_constraint_stats_list.Viol_average_violations_only 0.1804
_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 GLY 0.000 0.000 . 0 "[ . 1 .]"
1 2 LEU 10.506 0.320 1 0 "[ . 1 .]"
1 3 GLY 5.534 0.314 9 0 "[ . 1 .]"
1 4 LYS 26.956 0.383 4 0 "[ . 1 .]"
1 5 ALA 17.638 0.343 11 0 "[ . 1 .]"
1 6 GLN 31.061 0.421 13 0 "[ . 1 .]"
1 7 CYS 15.449 0.343 11 0 "[ . 1 .]"
1 8 ALA 15.232 0.313 10 0 "[ . 1 .]"
1 9 ALA 9.743 0.400 4 0 "[ . 1 .]"
1 10 LEU 61.230 0.609 15 4 "[ ** 1 - +]"
1 11 TRP 25.087 0.462 12 0 "[ . 1 .]"
1 12 LEU 11.971 0.512 4 1 "[ +. 1 .]"
1 13 GLN 19.568 0.769 8 1 "[ . + 1 .]"
1 14 CYS 15.417 0.512 8 1 "[ . + 1 .]"
1 15 ALA 23.650 0.462 12 0 "[ . 1 .]"
1 16 SER 9.166 0.226 11 0 "[ . 1 .]"
1 17 GLY 5.231 0.434 8 0 "[ . 1 .]"
1 18 GLY 6.039 0.940 11 1 "[ . 1+ .]"
1 19 THR 11.589 0.490 4 0 "[ . 1 .]"
1 20 ILE 13.201 0.940 11 1 "[ . 1+ .]"
1 21 GLY 5.845 0.986 13 1 "[ . 1 + .]"
1 22 CYS 5.783 0.986 13 1 "[ . 1 + .]"
1 23 GLY 2.518 0.216 8 0 "[ . 1 .]"
1 24 GLY 1.982 0.216 8 0 "[ . 1 .]"
1 25 GLY 4.030 0.460 5 0 "[ . 1 .]"
1 26 ALA 8.021 0.460 5 0 "[ . 1 .]"
1 27 VAL 20.350 0.749 15 2 "[ . - +]"
1 28 ALA 26.693 0.769 8 3 "[ . + - *]"
1 29 CYS 20.681 0.467 7 0 "[ . 1 .]"
1 30 GLN 30.761 0.871 11 6 "[ * *. * *1+- .]"
1 31 ASN 38.313 0.609 15 4 "[ ** 1 - +]"
1 32 TYR 38.846 1.249 6 1 "[ .+ 1 .]"
1 33 ARG 28.352 1.249 6 7 "[ * *.+* *1*- .]"
1 34 GLN 29.199 0.518 6 1 "[ .+ 1 .]"
1 35 PHE 19.823 0.310 10 0 "[ . 1 .]"
1 36 CYS 13.166 0.445 15 0 "[ . 1 .]"
1 37 ARG 7.420 0.270 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 1 GLY HA2 1 2 LEU H 3.500 2.500 4.500 3.035 2.506 3.567 . 0 0 "[ . 1 .]" 1
2 1 1 GLY HA3 1 2 LEU H 3.500 2.500 4.500 3.039 2.548 3.569 . 0 0 "[ . 1 .]" 1
3 1 2 LEU H 1 2 LEU HA 2.500 . 3.300 2.298 2.290 2.308 . 0 0 "[ . 1 .]" 1
4 1 2 LEU H 1 2 LEU QB 2.500 . 3.300 3.313 3.099 3.384 0.084 8 0 "[ . 1 .]" 1
5 1 2 LEU H 1 2 LEU QD 3.500 2.500 4.500 2.926 2.411 3.559 0.089 9 0 "[ . 1 .]" 1
6 1 2 LEU H 1 2 LEU HG 2.500 . 3.300 2.668 2.278 2.851 . 0 0 "[ . 1 .]" 1
7 1 2 LEU H 1 35 PHE HB3 3.500 2.500 4.500 4.485 4.159 4.558 0.058 12 0 "[ . 1 .]" 1
8 1 2 LEU HA 1 2 LEU QB 3.500 2.500 4.500 2.371 2.301 2.506 0.199 10 0 "[ . 1 .]" 1
9 1 2 LEU HA 1 2 LEU QD 3.500 2.500 4.500 2.352 2.180 3.073 0.320 1 0 "[ . 1 .]" 1
10 1 2 LEU HA 1 3 GLY H 2.500 . 3.300 2.971 2.136 3.265 . 0 0 "[ . 1 .]" 1
11 1 2 LEU QB 1 3 GLY H 3.500 2.500 4.500 3.437 2.597 3.866 . 0 0 "[ . 1 .]" 1
12 1 2 LEU QB 1 35 PHE HB3 5.000 4.000 6.000 5.426 4.839 6.054 0.054 10 0 "[ . 1 .]" 1
13 1 2 LEU QB 1 35 PHE QD 5.000 4.000 6.000 5.688 5.068 6.047 0.047 8 0 "[ . 1 .]" 1
14 1 2 LEU QD 1 3 GLY H 3.500 . 4.300 4.094 2.677 4.453 0.153 9 0 "[ . 1 .]" 1
15 1 2 LEU QD 1 6 GLN HB2 5.000 4.000 6.000 5.957 5.546 6.202 0.202 8 0 "[ . 1 .]" 1
16 1 2 LEU QD 1 6 GLN HB3 5.000 4.000 6.000 5.873 4.830 6.136 0.136 2 0 "[ . 1 .]" 1
17 1 2 LEU QD 1 35 PHE HB2 5.000 4.000 6.000 4.094 3.904 5.155 0.096 2 0 "[ . 1 .]" 1
18 1 2 LEU QD 1 35 PHE HB3 3.500 2.500 4.500 2.821 2.521 4.034 . 0 0 "[ . 1 .]" 1
19 1 2 LEU QD 1 35 PHE QE 3.500 2.500 4.500 3.935 3.152 4.345 . 0 0 "[ . 1 .]" 1
20 1 2 LEU HG 1 3 GLY H 3.500 . 4.300 4.407 4.328 4.614 0.314 9 0 "[ . 1 .]" 1
21 1 2 LEU HG 1 35 PHE HB3 3.500 2.500 4.500 3.735 2.695 4.149 . 0 0 "[ . 1 .]" 1
22 1 2 LEU HG 1 35 PHE QD 5.000 4.000 6.000 4.327 3.984 4.569 0.016 9 0 "[ . 1 .]" 1
23 1 2 LEU HG 1 35 PHE QE 5.000 4.000 6.000 5.500 5.296 5.768 . 0 0 "[ . 1 .]" 1
24 1 3 GLY H 1 3 GLY HA2 2.500 . 3.300 2.887 2.548 2.947 . 0 0 "[ . 1 .]" 1
25 1 3 GLY H 1 3 GLY HA3 2.500 . 3.300 2.501 2.308 2.967 . 0 0 "[ . 1 .]" 1
26 1 3 GLY H 1 4 LYS H 5.000 4.000 6.000 4.480 4.303 4.616 . 0 0 "[ . 1 .]" 1
27 1 3 GLY H 1 6 GLN HB3 2.500 . 3.300 3.112 2.594 3.402 0.102 4 0 "[ . 1 .]" 1
28 1 3 GLY HA2 1 4 LYS H 2.500 . 3.300 2.374 2.219 2.414 . 0 0 "[ . 1 .]" 1
29 1 3 GLY HA2 1 6 GLN H 3.500 2.500 4.500 4.730 4.666 4.770 0.270 12 0 "[ . 1 .]" 1
30 1 3 GLY HA3 1 4 LYS H 2.500 . 3.300 2.759 2.663 2.919 . 0 0 "[ . 1 .]" 1
31 1 4 LYS H 1 4 LYS HA 2.500 . 3.300 2.839 2.831 2.851 . 0 0 "[ . 1 .]" 1
32 1 4 LYS H 1 4 LYS QB 2.500 . 3.300 2.360 2.339 2.385 . 0 0 "[ . 1 .]" 1
33 1 4 LYS H 1 4 LYS QD 5.000 4.000 6.000 3.801 3.617 4.127 0.383 4 0 "[ . 1 .]" 1
34 1 4 LYS H 1 4 LYS HG2 2.500 . 3.300 2.316 2.295 2.357 . 0 0 "[ . 1 .]" 1
35 1 4 LYS H 1 4 LYS HG3 3.500 2.500 4.500 3.624 3.593 3.653 . 0 0 "[ . 1 .]" 1
36 1 4 LYS H 1 5 ALA H 3.500 2.500 4.500 4.522 4.509 4.541 0.041 10 0 "[ . 1 .]" 1
37 1 4 LYS HA 1 4 LYS QB 3.500 2.500 4.500 2.224 2.217 2.230 0.283 2 0 "[ . 1 .]" 1
38 1 4 LYS HA 1 4 LYS HG2 5.000 4.000 6.000 3.750 3.709 3.774 0.291 3 0 "[ . 1 .]" 1
39 1 4 LYS HA 1 4 LYS HG3 5.000 4.000 6.000 3.757 3.744 3.774 0.256 11 0 "[ . 1 .]" 1
40 1 4 LYS HA 1 5 ALA H 2.500 . 3.300 2.156 2.141 2.175 . 0 0 "[ . 1 .]" 1
41 1 4 LYS HA 1 7 CYS H 3.500 . 4.300 4.156 4.079 4.213 . 0 0 "[ . 1 .]" 1
42 1 4 LYS HA 1 7 CYS QB 3.500 2.500 4.500 4.467 4.315 4.556 0.056 12 0 "[ . 1 .]" 1
43 1 4 LYS HA 1 8 ALA H 5.000 4.000 6.000 5.083 4.992 5.184 . 0 0 "[ . 1 .]" 1
44 1 4 LYS QB 1 5 ALA H 2.500 . 3.300 3.232 3.190 3.257 . 0 0 "[ . 1 .]" 1
45 1 4 LYS QB 1 6 GLN H 5.000 4.000 6.000 4.350 4.301 4.381 . 0 0 "[ . 1 .]" 1
46 1 4 LYS QD 1 5 ALA H 5.000 4.000 6.000 5.282 5.195 5.632 . 0 0 "[ . 1 .]" 1
47 1 4 LYS HG2 1 5 ALA H 3.500 2.500 4.500 4.758 4.685 4.799 0.299 6 0 "[ . 1 .]" 1
48 1 4 LYS HG2 1 6 GLN HA 5.000 4.000 6.000 6.274 6.108 6.350 0.350 12 0 "[ . 1 .]" 1
49 1 4 LYS HG3 1 5 ALA H 3.500 2.500 4.500 4.075 4.002 4.109 . 0 0 "[ . 1 .]" 1
50 1 4 LYS HG3 1 6 GLN HA 5.000 4.000 6.000 6.252 6.212 6.325 0.325 3 0 "[ . 1 .]" 1
51 1 5 ALA H 1 5 ALA HA 2.500 . 3.300 2.287 2.275 2.301 . 0 0 "[ . 1 .]" 1
52 1 5 ALA H 1 5 ALA MB 2.500 . 3.300 2.915 2.903 2.924 . 0 0 "[ . 1 .]" 1
53 1 5 ALA H 1 6 GLN H 2.500 . 3.300 2.924 2.900 2.956 . 0 0 "[ . 1 .]" 1
54 1 5 ALA H 1 6 GLN HB3 5.000 4.000 6.000 5.961 4.863 6.247 0.247 11 0 "[ . 1 .]" 1
55 1 5 ALA H 1 7 CYS H 2.500 . 3.300 3.600 3.556 3.643 0.343 11 0 "[ . 1 .]" 1
56 1 5 ALA H 1 8 ALA H 2.500 . 3.300 3.553 3.484 3.613 0.313 10 0 "[ . 1 .]" 1
57 1 5 ALA HA 1 6 GLN H 3.500 2.500 4.500 3.442 3.426 3.458 . 0 0 "[ . 1 .]" 1
58 1 5 ALA HA 1 8 ALA H 2.500 . 3.300 3.178 3.074 3.275 . 0 0 "[ . 1 .]" 1
59 1 5 ALA HA 1 20 ILE MD 6.000 5.000 7.000 6.859 5.732 7.275 0.275 8 0 "[ . 1 .]" 1
60 1 5 ALA MB 1 6 GLN H 2.500 . 3.300 2.985 2.941 3.066 . 0 0 "[ . 1 .]" 1
61 1 5 ALA MB 1 7 CYS H 3.500 2.500 4.500 4.613 4.581 4.640 0.140 15 0 "[ . 1 .]" 1
62 1 6 GLN H 1 6 GLN HA 2.500 . 3.300 2.804 2.797 2.810 . 0 0 "[ . 1 .]" 1
63 1 6 GLN H 1 6 GLN HB3 2.500 . 3.300 3.274 2.287 3.506 0.206 5 0 "[ . 1 .]" 1
64 1 6 GLN H 1 6 GLN QG 3.500 2.500 4.300 2.887 2.484 3.983 0.016 3 0 "[ . 1 .]" 1
65 1 6 GLN H 1 7 CYS H 2.500 . 3.300 2.393 2.340 2.441 . 0 0 "[ . 1 .]" 1
66 1 6 GLN H 1 8 ALA H . 4.000 4.500 4.042 4.020 4.065 . 0 0 "[ . 1 .]" 1
67 1 6 GLN H 1 8 ALA MB 3.500 2.500 4.500 4.724 4.678 4.777 0.277 8 0 "[ . 1 .]" 1
68 1 6 GLN H 1 10 LEU HB2 5.000 4.000 6.000 6.393 6.367 6.421 0.421 13 0 "[ . 1 .]" 1
69 1 6 GLN HA 1 6 GLN HB2 3.500 2.500 4.500 2.893 2.396 3.012 0.104 10 0 "[ . 1 .]" 1
70 1 6 GLN HA 1 7 CYS H 2.500 . 3.300 3.483 3.471 3.502 0.202 15 0 "[ . 1 .]" 1
71 1 6 GLN HB3 1 7 CYS H 2.500 . 3.300 3.202 2.460 3.412 0.112 5 0 "[ . 1 .]" 1
72 1 7 CYS H 1 7 CYS HA 2.500 . 3.300 2.853 2.846 2.865 . 0 0 "[ . 1 .]" 1
73 1 7 CYS H 1 7 CYS QB 2.500 . 3.300 2.174 2.087 2.276 . 0 0 "[ . 1 .]" 1
74 1 7 CYS H 1 8 ALA H 2.500 . 3.300 2.667 2.652 2.700 . 0 0 "[ . 1 .]" 1
75 1 7 CYS H 1 8 ALA MB 3.500 2.500 4.500 4.259 4.225 4.289 . 0 0 "[ . 1 .]" 1
76 1 7 CYS H 1 10 LEU HB2 4.500 3.500 5.500 5.023 4.988 5.102 . 0 0 "[ . 1 .]" 1
77 1 7 CYS HA 1 8 ALA H 3.500 2.500 4.500 3.559 3.549 3.565 . 0 0 "[ . 1 .]" 1
78 1 7 CYS HA 1 10 LEU H 2.500 . 3.300 3.472 3.441 3.575 0.275 13 0 "[ . 1 .]" 1
79 1 7 CYS HA 1 10 LEU HG 6.000 5.000 7.000 4.838 4.695 4.916 0.305 8 0 "[ . 1 .]" 1
80 1 7 CYS QB 1 8 ALA H 2.500 . 3.300 2.419 2.325 2.571 . 0 0 "[ . 1 .]" 1
81 1 7 CYS QB 1 32 TYR QE 3.500 2.500 4.500 4.040 3.169 4.590 0.090 2 0 "[ . 1 .]" 1
82 1 7 CYS QB 1 36 CYS HB3 5.000 4.000 6.000 4.723 3.864 5.186 0.136 15 0 "[ . 1 .]" 1
83 1 8 ALA H 1 8 ALA HA 2.500 . 3.300 2.810 2.797 2.818 . 0 0 "[ . 1 .]" 1
84 1 8 ALA H 1 8 ALA MB 2.500 . 3.300 2.175 2.149 2.196 . 0 0 "[ . 1 .]" 1
85 1 8 ALA H 1 9 ALA H 2.500 . 3.300 2.724 2.679 2.783 . 0 0 "[ . 1 .]" 1
86 1 8 ALA H 1 9 ALA MB 3.500 2.500 4.500 4.391 4.356 4.429 . 0 0 "[ . 1 .]" 1
87 1 8 ALA H 1 10 LEU H 3.500 2.500 4.500 3.963 3.915 3.993 . 0 0 "[ . 1 .]" 1
88 1 8 ALA HA 1 9 ALA H 2.500 . 3.300 3.519 3.512 3.526 0.226 13 0 "[ . 1 .]" 1
89 1 8 ALA HA 1 11 TRP H 2.500 . 3.300 3.500 3.427 3.537 0.237 12 0 "[ . 1 .]" 1
90 1 8 ALA HA 1 11 TRP QB 3.500 2.500 4.500 3.318 3.134 3.419 . 0 0 "[ . 1 .]" 1
91 1 8 ALA MB 1 11 TRP H 3.500 2.500 4.500 4.619 4.570 4.655 0.155 12 0 "[ . 1 .]" 1
92 1 9 ALA H 1 9 ALA HA 2.500 . 3.300 2.825 2.817 2.831 . 0 0 "[ . 1 .]" 1
93 1 9 ALA H 1 9 ALA MB 2.500 . 3.300 2.240 2.225 2.253 . 0 0 "[ . 1 .]" 1
94 1 9 ALA H 1 10 LEU H 2.500 . 3.300 2.575 2.532 2.614 . 0 0 "[ . 1 .]" 1
95 1 9 ALA H 1 10 LEU HB2 3.500 2.500 4.500 4.820 4.770 4.900 0.400 4 0 "[ . 1 .]" 1
96 1 9 ALA HA 1 12 LEU H 2.500 . 3.300 3.318 3.248 3.401 0.101 8 0 "[ . 1 .]" 1
97 1 9 ALA MB 1 10 LEU H 2.500 . 3.300 2.690 2.657 2.733 . 0 0 "[ . 1 .]" 1
98 1 9 ALA MB 1 12 LEU H 3.500 2.500 4.500 4.586 4.522 4.651 0.151 8 0 "[ . 1 .]" 1
99 1 10 LEU H 1 10 LEU HA 3.500 2.500 4.500 2.820 2.812 2.833 . 0 0 "[ . 1 .]" 1
100 1 10 LEU H 1 10 LEU HB2 2.500 . 3.300 2.451 2.409 2.522 . 0 0 "[ . 1 .]" 1
101 1 10 LEU H 1 10 LEU HB3 2.500 . 3.300 2.446 2.402 2.490 . 0 0 "[ . 1 .]" 1
102 1 10 LEU H 1 10 LEU MD1 3.500 2.500 4.500 4.040 4.016 4.079 . 0 0 "[ . 1 .]" 1
103 1 10 LEU H 1 10 LEU MD2 3.500 2.500 4.500 4.172 4.128 4.201 . 0 0 "[ . 1 .]" 1
104 1 10 LEU H 1 10 LEU HG 3.500 2.500 4.500 4.431 4.377 4.454 . 0 0 "[ . 1 .]" 1
105 1 10 LEU H 1 11 TRP H 2.500 . 3.300 2.730 2.682 2.766 . 0 0 "[ . 1 .]" 1
106 1 10 LEU H 1 12 LEU H 3.500 2.500 4.500 4.063 3.962 4.149 . 0 0 "[ . 1 .]" 1
107 1 10 LEU H 1 32 TYR QD 5.000 4.000 6.000 5.348 5.067 5.519 . 0 0 "[ . 1 .]" 1
108 1 10 LEU HA 1 10 LEU MD1 3.500 2.500 4.500 2.112 2.090 2.124 0.410 12 0 "[ . 1 .]" 1
109 1 10 LEU HA 1 10 LEU MD2 3.500 2.500 4.500 3.760 3.731 3.775 . 0 0 "[ . 1 .]" 1
110 1 10 LEU HA 1 11 TRP H 3.500 2.500 4.500 3.591 3.552 3.609 . 0 0 "[ . 1 .]" 1
111 1 10 LEU HA 1 12 LEU HB3 5.000 4.000 6.000 5.881 5.789 5.962 . 0 0 "[ . 1 .]" 1
112 1 10 LEU HA 1 13 GLN H 3.500 2.500 4.500 3.876 3.779 3.999 . 0 0 "[ . 1 .]" 1
113 1 10 LEU HA 1 13 GLN HB2 3.500 2.500 4.500 3.132 2.769 4.718 0.218 8 0 "[ . 1 .]" 1
114 1 10 LEU HA 1 13 GLN HB3 5.000 4.000 6.000 4.551 4.022 4.823 . 0 0 "[ . 1 .]" 1
115 1 10 LEU HA 1 19 THR H 5.000 4.000 6.000 6.184 5.956 6.289 0.289 8 0 "[ . 1 .]" 1
116 1 10 LEU HA 1 20 ILE H 4.000 3.000 5.000 4.029 3.117 5.168 0.168 11 0 "[ . 1 .]" 1
117 1 10 LEU HA 1 31 ASN HB2 6.000 5.000 7.000 7.453 7.323 7.609 0.609 15 4 "[ ** 1 - +]" 1
118 1 10 LEU HB2 1 11 TRP H 5.000 4.000 6.000 3.916 3.861 4.002 0.139 15 0 "[ . 1 .]" 1
119 1 10 LEU HB2 1 32 TYR HB2 6.000 5.000 7.000 6.216 6.089 6.306 . 0 0 "[ . 1 .]" 1
120 1 10 LEU HB3 1 11 TRP H 2.500 . 3.300 2.615 2.530 2.746 . 0 0 "[ . 1 .]" 1
121 1 10 LEU HB3 1 32 TYR HB2 5.000 4.000 6.000 4.676 4.542 4.770 . 0 0 "[ . 1 .]" 1
122 1 10 LEU HB3 1 32 TYR QD 3.500 2.500 4.500 3.774 3.583 3.914 . 0 0 "[ . 1 .]" 1
123 1 10 LEU MD1 1 28 ALA MB 4.000 3.000 5.000 2.606 2.544 2.726 0.456 12 0 "[ . 1 .]" 1
124 1 10 LEU MD1 1 30 GLN QG 6.000 5.000 7.000 7.370 7.231 7.444 0.444 12 0 "[ . 1 .]" 1
125 1 10 LEU MD1 1 31 ASN HB2 5.000 4.000 6.000 4.411 4.263 4.563 . 0 0 "[ . 1 .]" 1
126 1 10 LEU MD1 1 31 ASN HB3 4.000 3.000 5.000 4.828 4.661 4.949 . 0 0 "[ . 1 .]" 1
127 1 10 LEU MD1 1 32 TYR H 4.500 3.500 5.500 5.594 5.528 5.679 0.179 12 0 "[ . 1 .]" 1
128 1 10 LEU MD1 1 32 TYR HA 5.000 4.000 6.000 5.682 5.570 5.805 . 0 0 "[ . 1 .]" 1
129 1 10 LEU MD1 1 32 TYR HB2 6.000 5.000 7.000 5.208 5.132 5.304 . 0 0 "[ . 1 .]" 1
130 1 10 LEU MD1 1 32 TYR QD 5.000 4.000 6.000 5.565 5.455 5.648 . 0 0 "[ . 1 .]" 1
131 1 10 LEU MD1 1 35 PHE QE 5.000 4.000 6.000 5.874 5.605 5.986 . 0 0 "[ . 1 .]" 1
132 1 10 LEU MD2 1 11 TRP H 5.000 4.000 6.000 4.451 4.341 4.558 . 0 0 "[ . 1 .]" 1
133 1 10 LEU MD2 1 28 ALA MB 5.000 4.000 6.000 4.050 3.846 4.282 0.154 12 0 "[ . 1 .]" 1
134 1 10 LEU MD2 1 31 ASN HB2 4.000 4.000 5.000 3.923 3.880 3.991 0.120 10 0 "[ . 1 .]" 1
135 1 10 LEU MD2 1 31 ASN HB3 5.000 4.000 6.000 3.686 3.608 3.765 0.392 4 0 "[ . 1 .]" 1
136 1 10 LEU MD2 1 32 TYR H 3.500 2.500 4.500 4.694 4.584 4.750 0.250 7 0 "[ . 1 .]" 1
137 1 10 LEU MD2 1 32 TYR HA 5.000 4.000 6.000 3.724 3.602 3.792 0.398 15 0 "[ . 1 .]" 1
138 1 10 LEU MD2 1 32 TYR QD 5.000 4.000 6.000 4.151 3.972 4.290 0.028 6 0 "[ . 1 .]" 1
139 1 10 LEU MD2 1 35 PHE QE 5.000 4.000 6.000 4.478 4.309 4.632 . 0 0 "[ . 1 .]" 1
140 1 10 LEU HG 1 11 TRP H 3.500 2.500 4.500 3.769 3.540 3.840 . 0 0 "[ . 1 .]" 1
141 1 10 LEU HG 1 11 TRP HD1 6.000 5.000 7.000 7.157 7.004 7.384 0.384 4 0 "[ . 1 .]" 1
142 1 10 LEU HG 1 11 TRP HE3 6.000 5.000 7.000 6.748 5.613 7.004 0.004 9 0 "[ . 1 .]" 1
143 1 10 LEU HG 1 32 TYR HB2 4.000 3.000 5.000 3.843 3.753 3.936 . 0 0 "[ . 1 .]" 1
144 1 10 LEU HG 1 32 TYR QD 5.000 4.000 6.000 4.324 4.189 4.417 . 0 0 "[ . 1 .]" 1
145 1 11 TRP H 1 11 TRP HA 2.500 . 3.300 2.903 2.886 2.912 . 0 0 "[ . 1 .]" 1
146 1 11 TRP H 1 11 TRP QB 2.500 . 3.300 2.086 2.064 2.120 . 0 0 "[ . 1 .]" 1
147 1 11 TRP H 1 11 TRP HE3 6.000 5.000 7.000 5.467 5.079 5.539 . 0 0 "[ . 1 .]" 1
148 1 11 TRP H 1 12 LEU H 2.500 . 3.300 2.450 2.409 2.497 . 0 0 "[ . 1 .]" 1
149 1 11 TRP H 1 32 TYR QD 3.500 2.500 4.500 3.443 3.345 3.521 . 0 0 "[ . 1 .]" 1
150 1 11 TRP H 1 32 TYR QE 3.500 2.500 4.500 4.577 4.511 4.629 0.129 3 0 "[ . 1 .]" 1
151 1 11 TRP HA 1 11 TRP QB 2.500 . 3.300 2.190 2.182 2.223 . 0 0 "[ . 1 .]" 1
152 1 11 TRP HA 1 11 TRP HD1 5.000 4.000 6.000 4.681 4.618 4.779 . 0 0 "[ . 1 .]" 1
153 1 11 TRP HA 1 11 TRP HE3 3.500 2.500 4.500 3.207 2.412 3.381 0.088 4 0 "[ . 1 .]" 1
154 1 11 TRP HA 1 14 CYS H 3.500 2.500 4.500 3.506 3.357 3.650 . 0 0 "[ . 1 .]" 1
155 1 11 TRP HA 1 14 CYS QB 3.500 2.500 4.500 2.685 2.544 2.853 . 0 0 "[ . 1 .]" 1
156 1 11 TRP HA 1 32 TYR QD 5.000 4.000 6.000 3.948 3.866 4.024 0.134 11 0 "[ . 1 .]" 1
157 1 11 TRP HA 1 32 TYR QE 6.000 5.000 7.000 5.620 5.513 5.771 . 0 0 "[ . 1 .]" 1
158 1 11 TRP QB 1 11 TRP HD1 3.500 2.500 4.500 2.516 2.438 2.558 0.062 4 0 "[ . 1 .]" 1
159 1 11 TRP QB 1 11 TRP HE3 2.500 . 3.300 2.749 2.646 3.024 . 0 0 "[ . 1 .]" 1
160 1 11 TRP QB 1 12 LEU H 2.500 . 3.300 3.027 2.789 3.123 . 0 0 "[ . 1 .]" 1
161 1 11 TRP QB 1 32 TYR H 5.000 4.000 6.000 4.961 4.709 5.116 . 0 0 "[ . 1 .]" 1
162 1 11 TRP QB 1 32 TYR QE 2.500 . 3.300 3.041 2.943 3.189 . 0 0 "[ . 1 .]" 1
163 1 11 TRP HD1 1 12 LEU HA 5.000 4.000 6.000 4.043 3.893 4.242 0.107 12 0 "[ . 1 .]" 1
164 1 11 TRP HD1 1 12 LEU QD 3.500 2.500 4.500 3.497 3.194 4.382 . 0 0 "[ . 1 .]" 1
165 1 11 TRP HD1 1 15 ALA MB 5.000 4.000 6.000 6.399 6.352 6.462 0.462 12 0 "[ . 1 .]" 1
166 1 11 TRP HE1 1 15 ALA MB 7.000 6.000 8.000 5.778 5.679 5.831 0.321 4 0 "[ . 1 .]" 1
167 1 11 TRP HE3 1 12 LEU HA . 5.000 5.000 5.009 4.953 5.108 0.108 4 0 "[ . 1 .]" 1
168 1 11 TRP HE3 1 14 CYS HA 6.000 5.000 7.000 6.650 5.816 7.015 0.015 12 0 "[ . 1 .]" 1
169 1 11 TRP HE3 1 14 CYS HB2 3.500 2.500 4.500 4.599 4.182 4.689 0.189 8 0 "[ . 1 .]" 1
170 1 11 TRP HE3 1 15 ALA MB 6.000 5.000 7.000 5.342 5.192 5.524 . 0 0 "[ . 1 .]" 1
171 1 11 TRP HE3 1 32 TYR QD 6.000 5.000 6.000 4.870 4.774 4.978 0.226 12 0 "[ . 1 .]" 1
172 1 11 TRP HH2 1 12 LEU QD 5.000 4.000 6.000 5.228 4.629 6.081 0.081 10 0 "[ . 1 .]" 1
173 1 11 TRP HH2 1 15 ALA MB 6.000 5.000 7.000 4.976 4.826 5.027 0.174 12 0 "[ . 1 .]" 1
174 1 11 TRP HZ3 1 12 LEU QD 6.000 5.000 7.000 5.928 5.416 6.589 . 0 0 "[ . 1 .]" 1
175 1 11 TRP HZ3 1 15 ALA MB 6.000 5.000 7.000 5.106 4.953 5.288 0.047 12 0 "[ . 1 .]" 1
176 1 12 LEU H 1 12 LEU HA 2.500 . 3.300 2.807 2.796 2.821 . 0 0 "[ . 1 .]" 1
177 1 12 LEU H 1 12 LEU HB2 2.500 . 3.300 2.185 2.145 2.250 . 0 0 "[ . 1 .]" 1
178 1 12 LEU H 1 12 LEU HB3 2.500 . 3.300 2.862 2.776 2.921 . 0 0 "[ . 1 .]" 1
179 1 12 LEU H 1 12 LEU QD 3.500 2.500 4.500 3.466 3.308 3.750 . 0 0 "[ . 1 .]" 1
180 1 12 LEU H 1 13 GLN HA 5.000 4.000 6.000 5.318 5.284 5.348 . 0 0 "[ . 1 .]" 1
181 1 12 LEU HA 1 12 LEU HB2 3.500 2.500 4.500 2.645 2.604 2.674 . 0 0 "[ . 1 .]" 1
182 1 12 LEU HA 1 12 LEU HB3 3.500 2.500 4.500 3.001 2.993 3.012 . 0 0 "[ . 1 .]" 1
183 1 12 LEU HA 1 12 LEU QD 3.500 2.500 4.500 2.176 1.988 2.474 0.512 4 1 "[ +. 1 .]" 1
184 1 12 LEU HA 1 13 GLN H 3.500 2.500 4.500 3.549 3.533 3.566 . 0 0 "[ . 1 .]" 1
185 1 12 LEU HB2 1 13 GLN H 2.500 . 3.300 3.553 3.515 3.616 0.316 12 0 "[ . 1 .]" 1
186 1 12 LEU HB2 1 13 GLN HA 5.000 4.000 6.000 5.469 5.447 5.490 . 0 0 "[ . 1 .]" 1
187 1 12 LEU HB2 1 32 TYR QD 6.000 5.000 7.000 7.033 6.853 7.110 0.110 13 0 "[ . 1 .]" 1
188 1 12 LEU HB3 1 13 GLN H 2.500 . 3.300 2.563 2.483 2.647 . 0 0 "[ . 1 .]" 1
189 1 13 GLN H 1 13 GLN HA 2.500 . 3.300 2.809 2.803 2.821 . 0 0 "[ . 1 .]" 1
190 1 13 GLN H 1 13 GLN HB2 2.500 . 3.300 2.401 2.269 3.537 0.237 8 0 "[ . 1 .]" 1
191 1 13 GLN H 1 13 GLN HB3 2.500 . 3.300 3.458 2.449 3.549 0.249 12 0 "[ . 1 .]" 1
192 1 13 GLN H 1 13 GLN HG2 2.500 . 3.300 2.749 2.193 3.576 0.276 3 0 "[ . 1 .]" 1
193 1 13 GLN H 1 13 GLN HG3 2.500 . 3.300 3.073 2.194 3.485 0.185 11 0 "[ . 1 .]" 1
194 1 13 GLN H 1 14 CYS H 2.500 . 3.300 2.626 2.517 2.675 . 0 0 "[ . 1 .]" 1
195 1 13 GLN H 1 15 ALA H 5.000 4.000 6.000 4.001 3.940 4.252 0.060 13 0 "[ . 1 .]" 1
196 1 13 GLN H 1 28 ALA MB 5.000 4.000 6.000 6.139 6.051 6.371 0.371 8 0 "[ . 1 .]" 1
197 1 13 GLN HA 1 14 CYS H 3.500 2.500 4.500 3.515 3.458 3.540 . 0 0 "[ . 1 .]" 1
198 1 13 GLN HB2 1 14 CYS H 2.500 . 3.300 2.758 2.570 3.812 0.512 8 1 "[ . + 1 .]" 1
199 1 13 GLN HB2 1 28 ALA MB 5.000 4.000 6.000 5.064 4.855 6.249 0.249 8 0 "[ . 1 .]" 1
200 1 13 GLN HB3 1 14 CYS H 3.500 . 4.300 3.556 3.428 3.833 . 0 0 "[ . 1 .]" 1
201 1 13 GLN HB3 1 28 ALA MB 5.000 4.000 6.000 5.541 5.270 6.769 0.769 8 1 "[ . + 1 .]" 1
202 1 13 GLN HE21 1 14 CYS H 3.500 2.500 4.500 4.550 4.333 4.708 0.208 6 0 "[ . 1 .]" 1
203 1 13 GLN HG2 1 14 CYS H 3.500 2.500 4.500 4.531 3.615 4.908 0.408 14 0 "[ . 1 .]" 1
204 1 13 GLN HG2 1 28 ALA MB 6.000 5.000 7.000 7.063 5.253 7.319 0.319 2 0 "[ . 1 .]" 1
205 1 13 GLN HG3 1 28 ALA MB 6.000 5.000 7.000 6.617 4.752 7.034 0.248 8 0 "[ . 1 .]" 1
206 1 14 CYS H 1 14 CYS HA 2.500 . 3.300 2.799 2.741 2.827 . 0 0 "[ . 1 .]" 1
207 1 14 CYS H 1 14 CYS QB 2.500 . 3.300 2.136 2.096 2.244 . 0 0 "[ . 1 .]" 1
208 1 14 CYS H 1 15 ALA MB 3.500 2.500 4.500 4.283 4.163 4.452 . 0 0 "[ . 1 .]" 1
209 1 14 CYS H 1 28 ALA MB 5.000 4.000 6.000 4.391 4.291 4.550 . 0 0 "[ . 1 .]" 1
210 1 14 CYS HA 1 14 CYS QB 2.500 . 3.300 2.496 2.339 2.526 . 0 0 "[ . 1 .]" 1
211 1 14 CYS HA 1 15 ALA MB 3.500 2.500 4.500 4.838 4.780 4.949 0.449 12 0 "[ . 1 .]" 1
212 1 14 CYS HA 1 28 ALA MB 5.000 4.000 6.000 3.685 3.521 3.763 0.479 8 0 "[ . 1 .]" 1
213 1 14 CYS QB 1 15 ALA H 2.500 . 3.300 3.201 2.740 3.401 0.101 4 0 "[ . 1 .]" 1
214 1 14 CYS QB 1 15 ALA MB 5.000 4.000 6.000 4.205 3.757 4.486 0.243 12 0 "[ . 1 .]" 1
215 1 14 CYS QB 1 29 CYS H 3.500 2.500 4.500 3.882 3.711 4.026 . 0 0 "[ . 1 .]" 1
216 1 14 CYS QB 1 29 CYS HA 3.500 2.500 4.500 2.839 2.618 3.218 . 0 0 "[ . 1 .]" 1
217 1 15 ALA H 1 15 ALA HA 2.500 . 3.300 2.833 2.813 2.848 . 0 0 "[ . 1 .]" 1
218 1 15 ALA H 1 15 ALA MB 2.500 . 3.300 2.183 2.133 2.211 . 0 0 "[ . 1 .]" 1
219 1 15 ALA H 1 16 SER H 2.500 . 3.300 2.516 2.471 2.558 . 0 0 "[ . 1 .]" 1
220 1 15 ALA H 1 16 SER HA 4.000 3.000 5.000 5.188 5.127 5.225 0.225 10 0 "[ . 1 .]" 1
221 1 15 ALA H 1 16 SER QB 3.500 2.500 4.500 4.534 4.304 4.642 0.142 1 0 "[ . 1 .]" 1
222 1 15 ALA H 1 28 ALA MB 5.000 4.000 6.000 6.076 5.954 6.158 0.158 2 0 "[ . 1 .]" 1
223 1 15 ALA HA 1 16 SER H 2.500 . 3.300 3.501 3.485 3.526 0.226 11 0 "[ . 1 .]" 1
224 1 15 ALA MB 1 16 SER H 2.500 . 3.300 2.529 2.461 2.562 . 0 0 "[ . 1 .]" 1
225 1 16 SER H 1 16 SER HA 2.500 . 3.300 2.932 2.831 2.957 . 0 0 "[ . 1 .]" 1
226 1 16 SER H 1 16 SER QB 2.500 . 3.300 2.412 2.262 2.546 . 0 0 "[ . 1 .]" 1
227 1 16 SER H 1 17 GLY H 2.500 . 3.300 2.118 1.926 2.557 . 0 0 "[ . 1 .]" 1
228 1 16 SER HA 1 16 SER QB 2.500 . 3.300 2.311 2.175 2.442 . 0 0 "[ . 1 .]" 1
229 1 16 SER HA 1 17 GLY H 2.500 . 3.300 3.467 3.383 3.497 0.197 7 0 "[ . 1 .]" 1
230 1 17 GLY H 1 17 GLY QA 2.500 . 3.300 2.356 2.216 2.502 . 0 0 "[ . 1 .]" 1
231 1 17 GLY H 1 18 GLY H 2.500 . 3.300 2.102 1.842 2.841 . 0 0 "[ . 1 .]" 1
232 1 17 GLY H 1 18 GLY HA2 3.500 2.500 4.500 4.632 4.003 4.934 0.434 8 0 "[ . 1 .]" 1
233 1 17 GLY H 1 18 GLY HA3 5.000 4.000 6.000 4.324 4.034 4.802 . 0 0 "[ . 1 .]" 1
234 1 18 GLY H 1 18 GLY HA2 2.500 . 3.300 2.912 2.622 2.968 . 0 0 "[ . 1 .]" 1
235 1 18 GLY H 1 18 GLY HA3 2.500 . 3.300 2.588 2.350 2.960 . 0 0 "[ . 1 .]" 1
236 1 18 GLY H 1 19 THR H 3.500 . 4.300 3.792 2.269 4.541 0.241 14 0 "[ . 1 .]" 1
237 1 18 GLY HA2 1 19 THR H 2.500 . 3.300 2.658 2.177 3.528 0.228 8 0 "[ . 1 .]" 1
238 1 18 GLY HA2 1 20 ILE H 6.000 5.000 7.000 6.318 4.060 6.956 0.940 11 1 "[ . 1+ .]" 1
239 1 18 GLY HA3 1 19 THR H 2.500 . 3.300 2.931 2.152 3.549 0.249 7 0 "[ . 1 .]" 1
240 1 19 THR H 1 19 THR HA 2.500 . 3.300 2.898 2.875 2.922 . 0 0 "[ . 1 .]" 1
241 1 19 THR H 1 20 ILE HG12 6.000 5.000 7.000 6.727 6.156 7.116 0.116 1 0 "[ . 1 .]" 1
242 1 19 THR H 1 20 ILE HG13 5.000 4.000 6.000 5.728 5.074 6.063 0.063 15 0 "[ . 1 .]" 1
243 1 19 THR HA 1 19 THR HB 3.500 2.500 4.500 2.356 2.329 2.431 0.171 12 0 "[ . 1 .]" 1
244 1 19 THR HA 1 20 ILE H 3.500 . 4.300 2.595 2.258 3.289 . 0 0 "[ . 1 .]" 1
245 1 19 THR HA 1 20 ILE HG12 6.000 5.000 7.000 4.986 4.879 5.566 0.121 15 0 "[ . 1 .]" 1
246 1 19 THR HG1 1 20 ILE HA 6.000 5.000 7.000 4.823 4.510 4.992 0.490 4 0 "[ . 1 .]" 1
247 1 20 ILE H 1 20 ILE HA 2.500 . 3.300 2.833 2.244 2.960 . 0 0 "[ . 1 .]" 1
248 1 20 ILE H 1 20 ILE HB 2.500 . 3.300 2.656 2.496 3.604 0.304 5 0 "[ . 1 .]" 1
249 1 20 ILE H 1 20 ILE MD 3.500 . 4.300 3.341 2.034 4.186 . 0 0 "[ . 1 .]" 1
250 1 20 ILE H 1 20 ILE HG12 2.500 . 3.300 3.417 3.358 3.593 0.293 5 0 "[ . 1 .]" 1
251 1 20 ILE H 1 20 ILE HG13 2.500 . 3.300 2.066 1.964 2.605 . 0 0 "[ . 1 .]" 1
252 1 20 ILE H 1 21 GLY H 3.500 . 4.300 2.456 1.922 3.020 0.078 5 0 "[ . 1 .]" 1
253 1 20 ILE H 1 21 GLY HA2 4.000 3.000 5.000 5.063 4.553 5.374 0.374 11 0 "[ . 1 .]" 1
254 1 20 ILE HA 1 20 ILE MD 5.000 4.000 6.000 3.852 3.623 3.912 0.377 5 0 "[ . 1 .]" 1
255 1 20 ILE HA 1 20 ILE HG13 3.500 2.500 4.500 3.017 2.914 3.562 . 0 0 "[ . 1 .]" 1
256 1 20 ILE HA 1 21 GLY H 3.500 . 4.300 3.481 3.257 3.546 . 0 0 "[ . 1 .]" 1
257 1 20 ILE HB 1 21 GLY H 3.500 2.500 4.500 2.883 2.498 4.159 0.002 9 0 "[ . 1 .]" 1
258 1 20 ILE MD 1 21 GLY H 3.500 2.500 4.500 4.372 2.576 4.733 0.233 11 0 "[ . 1 .]" 1
259 1 20 ILE HG13 1 21 GLY H 5.000 4.000 6.000 4.108 3.854 4.278 0.146 5 0 "[ . 1 .]" 1
260 1 21 GLY H 1 21 GLY HA2 2.500 . 3.300 2.849 2.774 2.977 . 0 0 "[ . 1 .]" 1
261 1 21 GLY H 1 21 GLY HA3 2.500 . 3.300 2.350 2.301 2.688 . 0 0 "[ . 1 .]" 1
262 1 21 GLY H 1 22 CYS H . 2.500 3.300 2.739 2.170 4.286 0.986 13 1 "[ . 1 + .]" 1
263 1 21 GLY HA2 1 22 CYS H 2.500 . 3.300 3.324 2.321 3.491 0.191 7 0 "[ . 1 .]" 1
264 1 21 GLY HA3 1 22 CYS H 2.500 . 3.300 2.995 2.132 3.382 0.082 5 0 "[ . 1 .]" 1
265 1 22 CYS H 1 22 CYS HA 2.500 . 3.300 2.302 2.287 2.314 . 0 0 "[ . 1 .]" 1
266 1 22 CYS H 1 22 CYS HB2 2.500 . 3.300 3.123 2.974 3.403 0.103 13 0 "[ . 1 .]" 1
267 1 22 CYS H 1 22 CYS HB3 2.500 . 3.300 3.419 3.322 4.086 0.786 13 1 "[ . 1 + .]" 1
268 1 22 CYS H 1 23 GLY H 3.500 2.500 4.300 3.785 3.502 4.511 0.211 8 0 "[ . 1 .]" 1
269 1 22 CYS HA 1 23 GLY H 2.500 . 3.300 2.231 2.140 2.438 . 0 0 "[ . 1 .]" 1
270 1 22 CYS HB2 1 23 GLY H 3.500 2.500 4.500 4.335 3.686 4.521 0.021 5 0 "[ . 1 .]" 1
271 1 22 CYS HB3 1 23 GLY H 3.500 2.500 4.500 4.303 2.615 4.532 0.032 7 0 "[ . 1 .]" 1
272 1 23 GLY H 1 23 GLY HA2 2.500 . 3.300 2.637 2.312 2.912 . 0 0 "[ . 1 .]" 1
273 1 23 GLY H 1 23 GLY HA3 2.500 . 3.300 2.861 2.300 2.970 . 0 0 "[ . 1 .]" 1
274 1 23 GLY H 1 24 GLY H 2.500 . 3.300 3.327 3.304 3.405 0.105 13 0 "[ . 1 .]" 1
275 1 23 GLY HA2 1 24 GLY H 2.500 . 3.300 2.351 2.161 3.400 0.100 13 0 "[ . 1 .]" 1
276 1 23 GLY HA3 1 24 GLY H 2.500 . 3.300 3.240 2.162 3.516 0.216 8 0 "[ . 1 .]" 1
277 1 24 GLY H 1 24 GLY QA 2.500 . 3.300 2.228 2.197 2.388 . 0 0 "[ . 1 .]" 1
278 1 24 GLY QA 1 25 GLY H 2.500 . 3.300 2.609 2.343 2.882 . 0 0 "[ . 1 .]" 1
279 1 25 GLY H 1 25 GLY QA 2.500 . 3.300 2.193 2.161 2.204 . 0 0 "[ . 1 .]" 1
280 1 25 GLY H 1 26 ALA H 2.500 . 3.300 3.015 2.799 3.760 0.460 5 0 "[ . 1 .]" 1
281 1 25 GLY QA 1 26 ALA H 2.500 . 3.300 2.827 2.361 2.948 . 0 0 "[ . 1 .]" 1
282 1 25 GLY QA 1 28 ALA H 3.500 2.500 4.500 2.995 2.821 3.423 . 0 0 "[ . 1 .]" 1
283 1 25 GLY QA 1 29 CYS H 3.500 2.500 4.500 4.683 4.531 4.850 0.350 15 0 "[ . 1 .]" 1
284 1 26 ALA H 1 26 ALA HA 2.500 . 3.300 2.811 2.782 2.855 . 0 0 "[ . 1 .]" 1
285 1 26 ALA H 1 26 ALA MB 2.500 . 3.300 2.226 2.197 2.275 . 0 0 "[ . 1 .]" 1
286 1 26 ALA H 1 27 VAL H 2.500 . 3.300 2.672 2.577 2.742 . 0 0 "[ . 1 .]" 1
287 1 26 ALA H 1 27 VAL HB 5.000 4.000 6.000 5.351 4.916 6.185 0.185 15 0 "[ . 1 .]" 1
288 1 26 ALA HA 1 27 VAL H 2.500 . 3.300 3.517 3.494 3.534 0.234 4 0 "[ . 1 .]" 1
289 1 26 ALA HA 1 29 CYS H 3.500 2.500 4.500 4.101 4.026 4.212 . 0 0 "[ . 1 .]" 1
290 1 26 ALA HA 1 29 CYS HB2 6.000 5.000 7.000 4.806 4.693 4.893 0.307 6 0 "[ . 1 .]" 1
291 1 26 ALA MB 1 27 VAL H 2.500 . 3.300 2.342 2.248 2.401 . 0 0 "[ . 1 .]" 1
292 1 27 VAL H 1 27 VAL HA 2.500 . 3.300 2.859 2.837 2.876 . 0 0 "[ . 1 .]" 1
293 1 27 VAL H 1 27 VAL HB 2.500 . 3.300 2.795 2.483 3.595 0.295 5 0 "[ . 1 .]" 1
294 1 27 VAL H 1 27 VAL MG1 2.500 . 3.300 2.104 1.871 2.552 . 0 0 "[ . 1 .]" 1
295 1 27 VAL H 1 27 VAL MG2 3.500 2.500 4.500 3.331 2.049 3.770 0.451 5 0 "[ . 1 .]" 1
296 1 27 VAL H 1 28 ALA H 2.500 . 3.300 2.547 2.453 2.588 . 0 0 "[ . 1 .]" 1
297 1 27 VAL HA 1 27 VAL HB 3.500 2.500 4.500 2.494 2.380 2.529 0.120 15 0 "[ . 1 .]" 1
298 1 27 VAL HA 1 27 VAL MG1 3.500 2.500 4.500 2.975 2.302 3.208 0.198 5 0 "[ . 1 .]" 1
299 1 27 VAL HA 1 27 VAL MG2 3.500 2.500 4.500 2.553 2.280 3.232 0.220 1 0 "[ . 1 .]" 1
300 1 27 VAL HA 1 28 ALA H 3.500 2.500 4.500 3.457 3.407 3.482 . 0 0 "[ . 1 .]" 1
301 1 27 VAL HA 1 29 CYS H 5.000 4.000 6.000 3.765 3.707 3.823 0.293 15 0 "[ . 1 .]" 1
302 1 27 VAL HA 1 30 GLN H 2.500 . 3.300 3.410 3.298 3.472 0.172 1 0 "[ . 1 .]" 1
303 1 27 VAL HA 1 30 GLN HB2 5.000 4.000 6.000 5.352 4.994 5.566 . 0 0 "[ . 1 .]" 1
304 1 27 VAL HA 1 30 GLN HB3 5.000 4.000 6.000 4.661 3.900 4.873 0.100 15 0 "[ . 1 .]" 1
305 1 27 VAL HA 1 31 ASN H 3.500 2.500 4.500 4.474 4.042 4.723 0.223 15 0 "[ . 1 .]" 1
306 1 27 VAL HB 1 28 ALA H 3.500 2.500 4.500 4.113 4.018 4.151 . 0 0 "[ . 1 .]" 1
307 1 27 VAL MG1 1 28 ALA H 3.500 2.500 4.500 2.904 2.345 4.218 0.155 6 0 "[ . 1 .]" 1
308 1 27 VAL MG1 1 31 ASN H 5.000 4.000 6.000 4.895 4.660 5.957 . 0 0 "[ . 1 .]" 1
309 1 27 VAL MG1 1 31 ASN HD21 3.500 2.500 4.500 3.124 2.514 4.612 0.112 15 0 "[ . 1 .]" 1
310 1 27 VAL MG1 1 31 ASN HD22 3.500 2.500 4.500 2.793 2.366 4.277 0.134 2 0 "[ . 1 .]" 1
311 1 27 VAL MG2 1 28 ALA H 3.500 . 4.300 3.551 2.305 4.003 . 0 0 "[ . 1 .]" 1
312 1 27 VAL MG2 1 28 ALA HA 5.000 4.000 6.000 3.825 3.251 4.003 0.749 15 2 "[ . - +]" 1
313 1 27 VAL MG2 1 31 ASN H 3.500 2.500 4.500 3.992 3.671 4.820 0.320 7 0 "[ . 1 .]" 1
314 1 27 VAL MG2 1 31 ASN HD21 2.500 . 3.300 2.577 2.458 2.842 . 0 0 "[ . 1 .]" 1
315 1 27 VAL MG2 1 31 ASN HD22 2.500 . 3.300 1.913 1.720 2.328 . 0 0 "[ . 1 .]" 1
316 1 28 ALA H 1 28 ALA HA 2.500 . 3.300 2.809 2.787 2.821 . 0 0 "[ . 1 .]" 1
317 1 28 ALA H 1 28 ALA MB 2.500 . 3.300 2.123 2.027 2.235 . 0 0 "[ . 1 .]" 1
318 1 28 ALA H 1 29 CYS H 2.500 . 3.300 2.722 2.679 2.807 . 0 0 "[ . 1 .]" 1
319 1 28 ALA H 1 30 GLN QB 6.000 5.000 7.000 6.520 6.064 6.621 . 0 0 "[ . 1 .]" 1
320 1 28 ALA HA 1 29 CYS H 3.500 2.500 4.500 3.517 3.501 3.557 . 0 0 "[ . 1 .]" 1
321 1 28 ALA HA 1 30 GLN H 3.500 2.500 4.500 4.552 4.476 4.668 0.168 5 0 "[ . 1 .]" 1
322 1 28 ALA HA 1 31 ASN H 3.500 2.500 4.500 3.421 3.310 3.541 . 0 0 "[ . 1 .]" 1
323 1 28 ALA HA 1 31 ASN HB3 3.500 2.500 4.500 3.847 3.694 3.984 . 0 0 "[ . 1 .]" 1
324 1 28 ALA HA 1 32 TYR H 5.000 4.000 6.000 4.631 4.458 4.826 . 0 0 "[ . 1 .]" 1
325 1 28 ALA MB 1 29 CYS H 2.500 . 3.300 2.832 2.600 2.931 . 0 0 "[ . 1 .]" 1
326 1 28 ALA MB 1 30 GLN H 3.500 2.500 4.500 4.811 4.729 4.873 0.373 1 0 "[ . 1 .]" 1
327 1 28 ALA MB 1 32 TYR HA 6.000 5.000 7.000 6.330 6.064 6.528 . 0 0 "[ . 1 .]" 1
328 1 28 ALA MB 1 35 PHE QE 6.000 5.000 7.000 6.560 6.353 6.801 . 0 0 "[ . 1 .]" 1
329 1 29 CYS H 1 29 CYS HA 2.500 . 3.300 2.801 2.778 2.821 . 0 0 "[ . 1 .]" 1
330 1 29 CYS H 1 29 CYS HB2 2.500 . 3.300 2.493 2.380 2.554 . 0 0 "[ . 1 .]" 1
331 1 29 CYS H 1 29 CYS HB3 2.500 . 3.300 3.569 3.556 3.582 0.282 13 0 "[ . 1 .]" 1
332 1 29 CYS H 1 30 GLN H 2.500 . 3.300 2.774 2.731 2.814 . 0 0 "[ . 1 .]" 1
333 1 29 CYS HA 1 30 GLN H 3.500 2.500 4.500 3.562 3.548 3.576 . 0 0 "[ . 1 .]" 1
334 1 29 CYS HA 1 32 TYR H 3.500 2.500 4.500 3.920 3.846 4.023 . 0 0 "[ . 1 .]" 1
335 1 29 CYS HA 1 32 TYR HB2 5.000 4.000 6.000 4.012 3.925 4.115 0.075 15 0 "[ . 1 .]" 1
336 1 29 CYS HA 1 32 TYR HB3 5.000 4.000 6.000 3.956 3.797 4.105 0.203 15 0 "[ . 1 .]" 1
337 1 29 CYS HA 1 33 ARG H 5.000 4.000 6.000 5.719 5.533 5.873 . 0 0 "[ . 1 .]" 1
338 1 29 CYS HB2 1 30 GLN H 2.500 . 3.300 2.307 2.236 2.392 . 0 0 "[ . 1 .]" 1
339 1 29 CYS HB3 1 30 GLN H 2.500 . 3.300 3.370 3.258 3.437 0.137 8 0 "[ . 1 .]" 1
340 1 29 CYS HB3 1 34 GLN H 7.000 6.000 8.000 8.352 8.229 8.467 0.467 7 0 "[ . 1 .]" 1
341 1 30 GLN H 1 30 GLN HA 2.500 . 3.300 2.847 2.836 2.865 . 0 0 "[ . 1 .]" 1
342 1 30 GLN H 1 30 GLN QB 2.500 . 3.300 2.748 2.276 2.836 . 0 0 "[ . 1 .]" 1
343 1 30 GLN H 1 30 GLN QG 2.500 . 3.300 1.795 1.672 2.750 . 0 0 "[ . 1 .]" 1
344 1 30 GLN H 1 31 ASN H 2.500 . 3.300 2.579 2.553 2.609 . 0 0 "[ . 1 .]" 1
345 1 30 GLN HA 1 30 GLN HB2 3.500 2.500 4.500 2.548 2.339 2.592 0.161 15 0 "[ . 1 .]" 1
346 1 30 GLN HA 1 30 GLN HB3 3.500 2.500 4.500 2.378 2.338 2.646 0.162 11 0 "[ . 1 .]" 1
347 1 30 GLN HA 1 31 ASN H 3.500 2.500 4.500 3.486 3.453 3.521 . 0 0 "[ . 1 .]" 1
348 1 30 GLN HA 1 32 TYR QE 6.000 5.000 7.000 7.296 7.229 7.379 0.379 15 0 "[ . 1 .]" 1
349 1 30 GLN HA 1 33 ARG H 3.500 2.500 4.500 3.340 3.070 3.426 . 0 0 "[ . 1 .]" 1
350 1 30 GLN HA 1 33 ARG HB3 6.000 5.000 7.000 4.535 4.129 4.902 0.871 11 6 "[ * *. * *1+- .]" 1
351 1 30 GLN QB 1 31 ASN H 2.500 . 3.300 3.468 3.405 3.498 0.198 1 0 "[ . 1 .]" 1
352 1 30 GLN HB3 1 33 ARG HB2 4.500 3.500 5.500 5.381 4.743 5.622 0.122 15 0 "[ . 1 .]" 1
353 1 30 GLN QG 1 31 ASN H 3.500 2.500 4.500 2.579 2.042 2.731 0.458 15 0 "[ . 1 .]" 1
354 1 30 GLN QG 1 31 ASN HD21 3.500 2.500 4.500 3.558 2.513 3.752 . 0 0 "[ . 1 .]" 1
355 1 31 ASN H 1 31 ASN HA 2.500 . 3.300 2.760 2.734 2.796 . 0 0 "[ . 1 .]" 1
356 1 31 ASN H 1 31 ASN HB2 2.500 . 3.300 2.351 2.270 2.375 . 0 0 "[ . 1 .]" 1
357 1 31 ASN H 1 31 ASN HB3 2.500 . 3.300 3.524 3.472 3.538 0.238 1 0 "[ . 1 .]" 1
358 1 31 ASN H 1 31 ASN HD21 3.500 2.500 4.500 2.581 2.309 2.742 0.191 15 0 "[ . 1 .]" 1
359 1 31 ASN H 1 32 TYR H 2.500 . 3.300 2.732 2.598 2.762 . 0 0 "[ . 1 .]" 1
360 1 31 ASN HA 1 31 ASN HB2 3.500 2.500 4.500 3.028 3.017 3.033 . 0 0 "[ . 1 .]" 1
361 1 31 ASN HA 1 31 ASN HD21 5.000 4.000 6.000 3.941 3.790 4.024 0.210 15 0 "[ . 1 .]" 1
362 1 31 ASN HA 1 33 ARG H 5.000 4.000 6.000 4.453 4.202 4.572 . 0 0 "[ . 1 .]" 1
363 1 31 ASN HA 1 34 GLN H 3.500 2.500 4.500 3.468 3.301 3.584 . 0 0 "[ . 1 .]" 1
364 1 31 ASN HA 1 34 GLN HB3 5.000 4.000 6.000 4.203 3.994 4.440 0.006 8 0 "[ . 1 .]" 1
365 1 31 ASN HA 1 35 PHE H 5.000 4.000 6.000 4.025 3.977 4.155 0.023 2 0 "[ . 1 .]" 1
366 1 31 ASN HA 1 35 PHE QD 3.500 2.500 4.500 3.822 3.738 3.920 . 0 0 "[ . 1 .]" 1
367 1 31 ASN HB2 1 31 ASN HD21 3.500 2.500 4.500 2.395 2.367 2.460 0.133 12 0 "[ . 1 .]" 1
368 1 31 ASN HB2 1 31 ASN HD22 . 4.000 4.500 3.625 3.605 3.678 0.395 12 0 "[ . 1 .]" 1
369 1 31 ASN HB2 1 32 TYR H 3.500 2.500 4.500 2.841 2.763 2.890 . 0 0 "[ . 1 .]" 1
370 1 31 ASN HB2 1 34 GLN H 5.000 4.000 6.000 5.718 5.622 5.787 . 0 0 "[ . 1 .]" 1
371 1 31 ASN HB2 1 35 PHE QD 5.000 4.000 6.000 3.953 3.921 4.068 0.079 7 0 "[ . 1 .]" 1
372 1 31 ASN HB3 1 31 ASN HD21 2.500 2.500 3.300 3.495 3.457 3.566 0.266 15 0 "[ . 1 .]" 1
373 1 31 ASN HB3 1 31 ASN HD22 5.000 4.000 6.000 4.061 4.048 4.130 . 0 0 "[ . 1 .]" 1
374 1 31 ASN HB3 1 32 TYR H 2.500 . 3.300 3.588 3.556 3.636 0.336 15 0 "[ . 1 .]" 1
375 1 31 ASN HB3 1 33 ARG H 5.000 4.000 6.000 5.688 5.572 5.763 . 0 0 "[ . 1 .]" 1
376 1 32 TYR H 1 32 TYR HA 2.500 . 3.300 2.792 2.784 2.813 . 0 0 "[ . 1 .]" 1
377 1 32 TYR H 1 32 TYR HB2 2.500 . 3.300 2.628 2.589 2.655 . 0 0 "[ . 1 .]" 1
378 1 32 TYR H 1 32 TYR HB3 2.500 . 3.300 2.411 2.384 2.478 . 0 0 "[ . 1 .]" 1
379 1 32 TYR H 1 33 ARG H 2.500 . 3.300 2.878 2.769 2.938 . 0 0 "[ . 1 .]" 1
380 1 32 TYR H 1 33 ARG HB2 5.000 4.000 6.000 4.905 4.661 5.066 . 0 0 "[ . 1 .]" 1
381 1 32 TYR H 1 34 GLN H 3.500 2.500 4.500 4.167 4.093 4.209 . 0 0 "[ . 1 .]" 1
382 1 32 TYR H 1 34 GLN HE21 3.500 2.500 4.500 4.572 4.497 4.675 0.175 7 0 "[ . 1 .]" 1
383 1 32 TYR HA 1 32 TYR QD 3.500 2.500 4.500 3.045 2.974 3.099 . 0 0 "[ . 1 .]" 1
384 1 32 TYR HA 1 33 ARG HB2 4.500 3.500 5.500 5.677 5.611 5.737 0.237 11 0 "[ . 1 .]" 1
385 1 32 TYR HA 1 35 PHE QD 5.000 4.000 6.000 3.899 3.841 3.925 0.159 10 0 "[ . 1 .]" 1
386 1 32 TYR HA 1 36 CYS H 3.500 2.500 4.500 2.889 2.744 3.146 . 0 0 "[ . 1 .]" 1
387 1 32 TYR HA 1 36 CYS HB2 3.500 2.500 4.500 3.173 2.962 3.595 . 0 0 "[ . 1 .]" 1
388 1 32 TYR HA 1 36 CYS HB3 5.000 4.000 6.000 4.780 4.630 5.017 . 0 0 "[ . 1 .]" 1
389 1 32 TYR HB2 1 32 TYR QD 2.500 . 3.300 2.391 2.373 2.408 . 0 0 "[ . 1 .]" 1
390 1 32 TYR HB2 1 32 TYR QE 5.000 4.000 6.000 4.435 4.427 4.445 . 0 0 "[ . 1 .]" 1
391 1 32 TYR HB2 1 33 ARG H 3.500 . 4.300 3.964 3.928 3.998 . 0 0 "[ . 1 .]" 1
392 1 32 TYR HB2 1 36 CYS HB3 5.000 4.000 6.000 5.761 5.647 6.060 0.060 7 0 "[ . 1 .]" 1
393 1 32 TYR HB3 1 32 TYR QD 2.500 . 3.300 2.416 2.369 2.453 . 0 0 "[ . 1 .]" 1
394 1 32 TYR HB3 1 33 ARG H 2.500 . 3.300 2.580 2.537 2.634 . 0 0 "[ . 1 .]" 1
395 1 32 TYR HB3 1 33 ARG HA 5.000 4.000 6.000 4.423 4.325 4.489 . 0 0 "[ . 1 .]" 1
396 1 32 TYR HB3 1 34 GLN H 5.000 4.000 6.000 4.914 4.851 4.991 . 0 0 "[ . 1 .]" 1
397 1 32 TYR HB3 1 35 PHE H 4.500 3.500 5.500 5.548 5.461 5.613 0.113 13 0 "[ . 1 .]" 1
398 1 32 TYR QD 1 33 ARG HB3 5.000 4.000 6.000 4.635 4.468 4.811 . 0 0 "[ . 1 .]" 1
399 1 32 TYR QD 1 33 ARG HD2 5.000 4.000 6.000 4.438 3.838 6.108 0.162 10 0 "[ . 1 .]" 1
400 1 32 TYR QD 1 33 ARG QG 5.000 4.000 6.000 4.043 2.751 4.648 1.249 6 1 "[ .+ 1 .]" 1
401 1 32 TYR QD 1 36 CYS HB2 3.500 2.500 4.500 3.177 3.003 3.411 . 0 0 "[ . 1 .]" 1
402 1 32 TYR QD 1 36 CYS HB3 5.000 4.000 6.000 3.949 3.843 4.178 0.157 15 0 "[ . 1 .]" 1
403 1 32 TYR QE 1 34 GLN QG 6.000 5.000 7.000 7.417 7.350 7.518 0.518 6 1 "[ .+ 1 .]" 1
404 1 32 TYR QE 1 36 CYS HB3 3.500 2.500 4.500 3.044 2.904 3.200 . 0 0 "[ . 1 .]" 1
405 1 33 ARG H 1 33 ARG HA 2.500 . 3.300 2.826 2.810 2.840 . 0 0 "[ . 1 .]" 1
406 1 33 ARG H 1 33 ARG HB2 2.500 . 3.300 2.205 2.084 2.366 . 0 0 "[ . 1 .]" 1
407 1 33 ARG H 1 33 ARG HB3 2.500 . 3.300 3.069 2.749 3.577 0.277 6 0 "[ . 1 .]" 1
408 1 33 ARG H 1 33 ARG QG 3.500 2.500 4.500 3.876 2.391 4.077 0.109 6 0 "[ . 1 .]" 1
409 1 33 ARG H 1 34 GLN H 2.500 . 3.300 2.595 2.540 2.655 . 0 0 "[ . 1 .]" 1
410 1 33 ARG H 1 34 GLN HE21 3.500 2.500 4.500 4.225 3.085 4.686 0.186 15 0 "[ . 1 .]" 1
411 1 33 ARG H 1 36 CYS HB2 6.000 5.000 7.000 5.411 4.951 5.612 0.049 7 0 "[ . 1 .]" 1
412 1 33 ARG HA 1 33 ARG HB2 3.500 2.500 4.500 2.744 2.580 3.020 . 0 0 "[ . 1 .]" 1
413 1 33 ARG HA 1 33 ARG HB3 3.500 2.500 4.500 2.950 2.549 3.029 . 0 0 "[ . 1 .]" 1
414 1 33 ARG HA 1 37 ARG H 6.000 5.000 7.000 5.098 4.928 5.698 0.072 14 0 "[ . 1 .]" 1
415 1 33 ARG HB2 1 34 GLN H 3.500 2.500 4.500 3.346 2.597 3.599 . 0 0 "[ . 1 .]" 1
416 1 33 ARG HB2 1 34 GLN HA 5.000 4.000 6.000 5.289 4.373 5.485 . 0 0 "[ . 1 .]" 1
417 1 33 ARG HB3 1 33 ARG HD2 5.000 4.000 6.000 4.053 3.558 4.277 0.442 2 0 "[ . 1 .]" 1
418 1 33 ARG HB3 1 33 ARG HD3 5.000 4.000 6.000 3.749 3.306 4.265 0.694 9 2 "[ .- +1 .]" 1
419 1 33 ARG HB3 1 34 GLN H 3.500 2.500 4.500 2.743 2.425 3.490 0.075 9 0 "[ . 1 .]" 1
420 1 33 ARG HB3 1 34 GLN HA 5.000 4.000 6.000 3.919 3.868 4.230 0.132 7 0 "[ . 1 .]" 1
421 1 33 ARG HD2 1 33 ARG QG 3.500 2.500 4.500 2.249 2.205 2.465 0.295 12 0 "[ . 1 .]" 1
422 1 33 ARG HD3 1 33 ARG QG 3.500 2.500 4.500 2.367 2.206 2.480 0.294 13 0 "[ . 1 .]" 1
423 1 33 ARG QG 1 34 GLN HA 5.000 4.000 6.000 4.810 4.018 5.756 . 0 0 "[ . 1 .]" 1
424 1 33 ARG QH 1 35 PHE H 5.000 4.000 6.000 5.959 5.092 6.299 0.299 15 0 "[ . 1 .]" 1
425 1 34 GLN H 1 34 GLN HA 2.500 . 3.300 2.832 2.816 2.855 . 0 0 "[ . 1 .]" 1
426 1 34 GLN H 1 34 GLN HB2 2.500 . 3.300 2.679 2.505 3.046 . 0 0 "[ . 1 .]" 1
427 1 34 GLN H 1 34 GLN HB3 2.500 . 3.300 3.527 3.503 3.557 0.257 15 0 "[ . 1 .]" 1
428 1 34 GLN H 1 35 PHE H 2.500 . 3.300 2.726 2.631 2.816 . 0 0 "[ . 1 .]" 1
429 1 34 GLN HA 1 34 GLN HB3 3.500 2.500 4.500 2.378 2.301 2.416 0.199 7 0 "[ . 1 .]" 1
430 1 34 GLN HA 1 35 PHE H 3.500 2.500 4.500 3.571 3.553 3.592 . 0 0 "[ . 1 .]" 1
431 1 34 GLN HB2 1 35 PHE H 2.500 . 3.300 2.488 2.401 2.625 . 0 0 "[ . 1 .]" 1
432 1 34 GLN HB2 1 35 PHE QD 5.000 4.000 6.000 3.797 3.751 3.883 0.249 15 0 "[ . 1 .]" 1
433 1 34 GLN HB2 1 36 CYS HA 6.000 5.000 7.000 7.368 7.318 7.445 0.445 15 0 "[ . 1 .]" 1
434 1 34 GLN HB3 1 35 PHE H 3.500 . 4.300 3.761 3.626 3.981 . 0 0 "[ . 1 .]" 1
435 1 34 GLN HB3 1 35 PHE QD 5.000 4.000 6.000 4.959 4.793 5.297 . 0 0 "[ . 1 .]" 1
436 1 34 GLN QG 1 35 PHE QD 5.000 4.000 6.000 5.076 4.385 5.370 . 0 0 "[ . 1 .]" 1
437 1 35 PHE H 1 35 PHE HA 2.500 . 3.300 2.926 2.916 2.937 . 0 0 "[ . 1 .]" 1
438 1 35 PHE H 1 35 PHE HB2 2.500 . 3.300 2.335 2.277 2.378 . 0 0 "[ . 1 .]" 1
439 1 35 PHE H 1 35 PHE HB3 3.500 2.500 4.500 3.606 3.575 3.625 . 0 0 "[ . 1 .]" 1
440 1 35 PHE H 1 36 CYS H 2.500 . 3.300 2.446 2.342 2.544 . 0 0 "[ . 1 .]" 1
441 1 35 PHE H 1 36 CYS HB2 5.000 4.000 6.000 4.622 4.416 4.794 . 0 0 "[ . 1 .]" 1
442 1 35 PHE HA 1 36 CYS H 3.500 2.500 4.500 3.569 3.537 3.581 . 0 0 "[ . 1 .]" 1
443 1 35 PHE HB2 1 35 PHE QD 3.500 2.500 4.500 2.339 2.330 2.346 0.170 12 0 "[ . 1 .]" 1
444 1 35 PHE HB2 1 36 CYS H 3.500 2.500 4.500 2.436 2.376 2.631 0.124 12 0 "[ . 1 .]" 1
445 1 35 PHE HB2 1 37 ARG H 5.000 4.000 6.000 6.216 6.176 6.250 0.250 8 0 "[ . 1 .]" 1
446 1 35 PHE HB3 1 35 PHE QD 4.000 3.000 5.000 2.705 2.690 2.729 0.310 10 0 "[ . 1 .]" 1
447 1 35 PHE HB3 1 36 CYS H 3.500 2.500 4.500 3.247 3.071 3.432 . 0 0 "[ . 1 .]" 1
448 1 36 CYS H 1 36 CYS HA 2.500 . 3.300 2.941 2.926 2.947 . 0 0 "[ . 1 .]" 1
449 1 36 CYS H 1 36 CYS HB2 2.500 . 3.300 2.301 2.249 2.589 . 0 0 "[ . 1 .]" 1
450 1 36 CYS H 1 36 CYS HB3 2.500 . 3.300 3.513 3.411 3.642 0.342 7 0 "[ . 1 .]" 1
451 1 36 CYS H 1 37 ARG H 3.500 2.500 4.500 4.166 4.145 4.190 . 0 0 "[ . 1 .]" 1
452 1 36 CYS HA 1 37 ARG H 2.500 . 3.300 2.157 2.135 2.178 . 0 0 "[ . 1 .]" 1
453 1 36 CYS HB2 1 37 ARG H 5.000 4.000 6.000 4.560 4.346 4.603 . 0 0 "[ . 1 .]" 1
454 1 36 CYS HB3 1 37 ARG H 5.000 4.000 6.000 3.864 3.833 3.911 0.167 15 0 "[ . 1 .]" 1
455 1 37 ARG H 1 37 ARG HA 2.500 . 3.300 2.763 2.297 2.911 . 0 0 "[ . 1 .]" 1
456 1 37 ARG H 1 37 ARG HB2 2.500 . 3.300 2.775 2.355 3.570 0.270 3 0 "[ . 1 .]" 1
457 1 37 ARG H 1 37 ARG HB3 3.500 2.500 4.500 2.964 2.365 4.058 0.135 2 0 "[ . 1 .]" 1
458 1 37 ARG H 1 37 ARG HG2 3.500 2.500 4.500 3.873 2.373 4.749 0.249 8 0 "[ . 1 .]" 1
459 1 37 ARG H 1 37 ARG HG3 3.500 2.500 4.500 3.720 2.490 4.496 0.010 4 0 "[ . 1 .]" 1
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