NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
567356 |
2me3   |
19514 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2me3
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 365
_Distance_constraint_stats_list.Viol_count 376
_Distance_constraint_stats_list.Viol_total 283.218
_Distance_constraint_stats_list.Viol_max 0.273
_Distance_constraint_stats_list.Viol_rms 0.0310
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0078
_Distance_constraint_stats_list.Viol_average_violations_only 0.0753
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 LYS 0.000 0.000 . 0 "[ . 1]"
1 3 ASP 0.000 0.000 . 0 "[ . 1]"
1 4 LEU 1.963 0.209 10 0 "[ . 1]"
1 5 LEU 5.053 0.209 10 0 "[ . 1]"
1 6 ALA 2.575 0.273 5 0 "[ . 1]"
1 7 LEU 3.576 0.273 5 0 "[ . 1]"
1 8 ASP 1.068 0.092 4 0 "[ . 1]"
1 9 SER 1.088 0.186 5 0 "[ . 1]"
1 10 TRP 5.253 0.271 5 0 "[ . 1]"
1 11 LYS 1.233 0.099 7 0 "[ . 1]"
1 12 ASN 0.013 0.012 3 0 "[ . 1]"
1 13 LEU 0.522 0.047 4 0 "[ . 1]"
1 14 TRP 1.477 0.070 8 0 "[ . 1]"
1 15 ASN 0.559 0.070 8 0 "[ . 1]"
1 16 TRP 1.609 0.084 10 0 "[ . 1]"
1 17 PHE 0.833 0.084 10 0 "[ . 1]"
1 18 ASN 0.005 0.005 1 0 "[ . 1]"
1 19 ILE 2.597 0.262 6 0 "[ . 1]"
1 20 THR 0.243 0.154 6 0 "[ . 1]"
1 21 ASN 0.000 0.000 . 0 "[ . 1]"
1 22 TRP 5.087 0.262 6 0 "[ . 1]"
1 23 LEU 2.084 0.157 2 0 "[ . 1]"
1 24 TRP 1.003 0.135 5 0 "[ . 1]"
1 25 TYR 0.258 0.056 2 0 "[ . 1]"
1 26 ILE 4.032 0.239 5 0 "[ . 1]"
1 27 LYS 1.656 0.181 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 2 LYS HA 1 3 ASP H 0.000 . 3.300 2.591 2.250 2.854 . 0 0 "[ . 1]" 1
2 1 2 LYS QG 1 3 ASP H 0.000 . 5.210 3.932 3.192 4.405 . 0 0 "[ . 1]" 1
3 1 3 ASP H 1 3 ASP HB2 0.000 . 4.010 2.048 1.988 2.236 . 0 0 "[ . 1]" 1
4 1 3 ASP H 1 3 ASP QB 0.000 . 3.790 2.026 1.974 2.211 . 0 0 "[ . 1]" 1
5 1 3 ASP H 1 3 ASP HB3 0.000 . 4.010 3.264 2.889 3.507 . 0 0 "[ . 1]" 1
6 1 3 ASP HA 1 4 LEU H 0.000 . 2.900 2.645 2.409 2.860 . 0 0 "[ . 1]" 1
7 1 3 ASP QB 1 4 LEU H 0.000 . 4.090 2.362 2.012 2.749 . 0 0 "[ . 1]" 1
8 1 3 ASP QB 1 5 LEU H 0.000 . 4.440 2.597 2.385 3.179 . 0 0 "[ . 1]" 1
9 1 3 ASP QB 1 6 ALA H 0.000 . 5.230 3.427 3.108 3.571 . 0 0 "[ . 1]" 1
10 1 3 ASP QB 1 6 ALA MB 0.000 . 5.010 3.256 2.099 3.587 . 0 0 "[ . 1]" 1
11 1 3 ASP HB2 1 4 LEU H 0.000 . 4.260 3.754 3.360 4.092 . 0 0 "[ . 1]" 1
12 1 3 ASP HB2 1 5 LEU H 0.000 . 4.880 4.175 3.918 4.716 . 0 0 "[ . 1]" 1
13 1 3 ASP HB2 1 6 ALA H 0.000 . 5.380 4.306 3.373 4.819 . 0 0 "[ . 1]" 1
14 1 3 ASP HB2 1 6 ALA MB 0.000 . 5.250 3.593 2.117 4.100 . 0 0 "[ . 1]" 1
15 1 3 ASP HB3 1 4 LEU H 0.000 . 4.260 2.389 2.028 2.794 . 0 0 "[ . 1]" 1
16 1 3 ASP HB3 1 5 LEU H 0.000 . 4.880 2.626 2.404 3.269 . 0 0 "[ . 1]" 1
17 1 3 ASP HB3 1 6 ALA H 0.000 . 5.380 3.651 3.294 3.851 . 0 0 "[ . 1]" 1
18 1 3 ASP HB3 1 6 ALA MB 0.000 . 5.250 3.881 3.280 4.234 . 0 0 "[ . 1]" 1
19 1 4 LEU H 1 4 LEU HB2 0.000 . 3.950 2.384 2.287 2.469 . 0 0 "[ . 1]" 1
20 1 4 LEU H 1 4 LEU QB 0.000 . 3.710 2.350 2.260 2.429 . 0 0 "[ . 1]" 1
21 1 4 LEU H 1 4 LEU HB3 0.000 . 3.950 3.568 3.541 3.611 . 0 0 "[ . 1]" 1
22 1 4 LEU H 1 4 LEU HG 0.000 . 3.550 2.745 2.129 3.674 0.124 1 0 "[ . 1]" 1
23 1 4 LEU H 1 5 LEU H 0.000 . 2.740 2.368 2.240 2.464 . 0 0 "[ . 1]" 1
24 1 4 LEU HA 1 5 LEU H 0.000 . 3.330 3.500 3.460 3.539 0.209 10 0 "[ . 1]" 1
25 1 4 LEU HA 1 6 ALA H 0.000 . 4.510 3.599 3.486 3.735 . 0 0 "[ . 1]" 1
26 1 4 LEU HA 1 10 TRP HE1 0.000 . 4.790 4.299 4.073 4.813 0.023 5 0 "[ . 1]" 1
27 1 4 LEU QB 1 10 TRP HE1 0.000 . 4.420 3.847 3.732 3.954 . 0 0 "[ . 1]" 1
28 1 4 LEU HB2 1 5 LEU H 0.000 . 4.010 2.633 2.146 2.967 . 0 0 "[ . 1]" 1
29 1 4 LEU HB2 1 10 TRP HE1 0.000 . 4.660 4.672 4.661 4.691 0.031 7 0 "[ . 1]" 1
30 1 4 LEU HB3 1 5 LEU H 0.000 . 4.010 3.727 3.388 3.898 . 0 0 "[ . 1]" 1
31 1 4 LEU HB3 1 10 TRP HE1 0.000 . 4.660 4.096 3.927 4.264 . 0 0 "[ . 1]" 1
32 1 5 LEU H 1 5 LEU HB2 0.000 . 3.790 2.117 2.109 2.135 . 0 0 "[ . 1]" 1
33 1 5 LEU H 1 5 LEU QB 0.000 . 3.560 2.099 2.092 2.117 . 0 0 "[ . 1]" 1
34 1 5 LEU H 1 5 LEU HB3 0.000 . 3.790 3.462 3.457 3.477 . 0 0 "[ . 1]" 1
35 1 5 LEU H 1 5 LEU MD1 0.000 . 5.710 3.974 2.345 4.173 . 0 0 "[ . 1]" 1
36 1 5 LEU H 1 5 LEU QD 0.000 . 5.020 2.269 2.204 2.334 . 0 0 "[ . 1]" 1
37 1 5 LEU H 1 5 LEU MD2 0.000 . 5.710 2.469 2.213 4.240 . 0 0 "[ . 1]" 1
38 1 5 LEU H 1 5 LEU HG 0.000 . 3.170 3.331 3.288 3.342 0.172 4 0 "[ . 1]" 1
39 1 5 LEU H 1 6 ALA H 0.000 . 2.830 2.854 2.833 2.872 0.042 10 0 "[ . 1]" 1
40 1 5 LEU H 1 6 ALA MB 0.000 . 5.870 4.271 4.196 4.333 . 0 0 "[ . 1]" 1
41 1 5 LEU HA 1 5 LEU HG 0.000 . 3.450 3.428 2.021 3.588 0.138 7 0 "[ . 1]" 1
42 1 5 LEU HA 1 6 ALA H 0.000 . 3.140 3.114 3.089 3.146 0.006 7 0 "[ . 1]" 1
43 1 5 LEU HA 1 10 TRP HD1 0.000 . 5.500 3.010 2.193 3.118 . 0 0 "[ . 1]" 1
44 1 5 LEU HA 1 10 TRP HE1 0.000 . 4.480 1.978 1.910 1.993 . 0 0 "[ . 1]" 1
45 1 5 LEU QB 1 6 ALA H 0.000 . 4.110 3.611 3.584 3.647 . 0 0 "[ . 1]" 1
46 1 5 LEU HB2 1 6 ALA H 0.000 . 4.260 3.885 3.847 3.942 . 0 0 "[ . 1]" 1
47 1 5 LEU HB3 1 6 ALA H 0.000 . 4.260 4.290 4.275 4.299 0.039 1 0 "[ . 1]" 1
48 1 5 LEU QD 1 6 ALA H 0.000 . 6.000 3.889 3.823 4.421 . 0 0 "[ . 1]" 1
49 1 5 LEU QD 1 10 TRP HD1 0.000 . 5.540 4.014 3.983 4.182 . 0 0 "[ . 1]" 1
50 1 5 LEU QD 1 10 TRP HE1 0.000 . 6.270 2.382 2.275 3.288 . 0 0 "[ . 1]" 1
51 1 5 LEU MD1 1 6 ALA H 0.000 . 6.460 5.099 4.715 5.164 . 0 0 "[ . 1]" 1
52 1 5 LEU MD1 1 10 TRP HD1 0.000 . 6.080 4.935 4.884 5.184 . 0 0 "[ . 1]" 1
53 1 5 LEU MD1 1 10 TRP HE1 0.000 . 6.520 3.817 3.768 3.880 . 0 0 "[ . 1]" 1
54 1 5 LEU MD2 1 6 ALA H 0.000 . 6.460 4.091 3.941 5.344 . 0 0 "[ . 1]" 1
55 1 5 LEU MD2 1 10 TRP HD1 0.000 . 6.080 4.249 4.216 4.413 . 0 0 "[ . 1]" 1
56 1 5 LEU MD2 1 10 TRP HE1 0.000 . 6.520 2.424 2.292 3.552 . 0 0 "[ . 1]" 1
57 1 6 ALA H 1 6 ALA MB 0.000 . 3.450 2.078 1.957 2.149 . 0 0 "[ . 1]" 1
58 1 6 ALA H 1 7 LEU H 0.000 . 4.110 4.313 4.298 4.383 0.273 5 0 "[ . 1]" 1
59 1 6 ALA H 1 9 SER QB 0.000 . 6.290 4.021 3.611 4.663 . 0 0 "[ . 1]" 1
60 1 6 ALA HA 1 7 LEU H 0.000 . 2.900 2.211 2.180 2.222 . 0 0 "[ . 1]" 1
61 1 6 ALA MB 1 8 ASP H 0.000 . 4.690 3.016 2.916 3.129 . 0 0 "[ . 1]" 1
62 1 6 ALA MB 1 8 ASP QB 0.000 . 7.400 2.918 2.748 3.067 . 0 0 "[ . 1]" 1
63 1 6 ALA MB 1 9 SER H 0.000 . 6.180 2.515 2.338 2.612 . 0 0 "[ . 1]" 1
64 1 6 ALA MB 1 10 TRP HD1 0.000 . 6.520 3.438 3.307 4.055 . 0 0 "[ . 1]" 1
65 1 7 LEU H 1 7 LEU HB2 0.000 . 3.830 2.831 2.273 3.542 . 0 0 "[ . 1]" 1
66 1 7 LEU H 1 7 LEU QB 0.000 . 3.590 2.337 2.247 2.385 . 0 0 "[ . 1]" 1
67 1 7 LEU H 1 7 LEU HB3 0.000 . 3.830 3.078 2.388 3.553 . 0 0 "[ . 1]" 1
68 1 7 LEU H 1 7 LEU MD1 0.000 . 5.650 3.322 2.938 3.722 . 0 0 "[ . 1]" 1
69 1 7 LEU H 1 7 LEU MD2 0.000 . 5.650 3.299 2.781 3.790 . 0 0 "[ . 1]" 1
70 1 7 LEU H 1 7 LEU HG 0.000 . 2.620 2.142 2.037 2.344 . 0 0 "[ . 1]" 1
71 1 7 LEU H 1 8 ASP H 0.000 . 3.080 2.757 2.740 2.798 . 0 0 "[ . 1]" 1
72 1 7 LEU HA 1 8 ASP H 0.000 . 3.390 3.481 3.480 3.482 0.092 4 0 "[ . 1]" 1
73 1 7 LEU HA 1 9 SER H 0.000 . 4.880 3.971 3.770 4.020 . 0 0 "[ . 1]" 1
74 1 7 LEU HA 1 10 TRP H 0.000 . 4.910 3.025 2.821 3.066 . 0 0 "[ . 1]" 1
75 1 7 LEU HA 1 10 TRP HB2 0.000 . 5.500 1.941 1.860 1.962 . 0 0 "[ . 1]" 1
76 1 7 LEU HA 1 10 TRP QB 0.000 . 4.970 1.928 1.847 1.949 . 0 0 "[ . 1]" 1
77 1 7 LEU HA 1 10 TRP HB3 0.000 . 5.500 3.294 3.150 3.333 . 0 0 "[ . 1]" 1
78 1 7 LEU HA 1 10 TRP HD1 0.000 . 3.610 3.550 3.470 3.722 0.112 5 0 "[ . 1]" 1
79 1 7 LEU HA 1 10 TRP HE3 0.000 . 5.500 5.536 5.523 5.592 0.092 5 0 "[ . 1]" 1
80 1 7 LEU HB2 1 8 ASP H 0.000 . 3.950 3.330 2.914 3.915 . 0 0 "[ . 1]" 1
81 1 7 LEU HB3 1 8 ASP H 0.000 . 3.950 3.897 3.759 3.992 0.042 8 0 "[ . 1]" 1
82 1 7 LEU QD 1 10 TRP QB 0.000 . 7.550 3.525 2.774 4.420 . 0 0 "[ . 1]" 1
83 1 7 LEU MD1 1 8 ASP H 0.000 . 6.520 3.799 2.512 4.715 . 0 0 "[ . 1]" 1
84 1 7 LEU MD1 1 10 TRP HB2 0.000 . 9.610 5.152 4.831 5.386 . 0 0 "[ . 1]" 1
85 1 7 LEU MD1 1 10 TRP HB3 0.000 . 9.610 5.983 5.822 6.155 . 0 0 "[ . 1]" 1
86 1 7 LEU MD2 1 8 ASP H 0.000 . 6.520 4.412 3.763 4.889 . 0 0 "[ . 1]" 1
87 1 7 LEU MD2 1 10 TRP HB2 0.000 . 9.610 4.188 3.058 5.665 . 0 0 "[ . 1]" 1
88 1 7 LEU MD2 1 10 TRP HB3 0.000 . 9.610 4.775 3.220 6.694 . 0 0 "[ . 1]" 1
89 1 8 ASP H 1 9 SER H 0.000 . 3.110 2.508 2.483 2.540 . 0 0 "[ . 1]" 1
90 1 8 ASP HA 1 11 LYS QB 0.000 . 4.920 3.369 3.003 3.576 . 0 0 "[ . 1]" 1
91 1 8 ASP HA 1 11 LYS QD 0.000 . 5.420 4.072 3.159 4.860 . 0 0 "[ . 1]" 1
92 1 9 SER H 1 9 SER HB2 0.000 . 3.920 2.625 2.071 3.594 . 0 0 "[ . 1]" 1
93 1 9 SER H 1 9 SER QB 0.000 . 3.720 2.296 2.053 2.556 . 0 0 "[ . 1]" 1
94 1 9 SER H 1 9 SER HB3 0.000 . 3.920 2.810 2.500 3.600 . 0 0 "[ . 1]" 1
95 1 9 SER H 1 10 TRP H 0.000 . 2.960 2.205 2.183 2.213 . 0 0 "[ . 1]" 1
96 1 9 SER H 1 10 TRP HD1 0.000 . 4.290 3.889 3.852 4.153 . 0 0 "[ . 1]" 1
97 1 9 SER HA 1 10 TRP H 0.000 . 3.450 3.478 3.472 3.495 0.045 5 0 "[ . 1]" 1
98 1 9 SER HA 1 10 TRP HD1 0.000 . 5.500 5.579 5.562 5.686 0.186 5 0 "[ . 1]" 1
99 1 9 SER HA 1 12 ASN H 0.000 . 4.510 4.100 3.952 4.244 . 0 0 "[ . 1]" 1
100 1 9 SER HA 1 12 ASN QB 0.000 . 4.920 3.989 3.872 4.055 . 0 0 "[ . 1]" 1
101 1 9 SER HA 1 12 ASN HD21 0.000 . 5.280 3.432 2.699 4.343 . 0 0 "[ . 1]" 1
102 1 9 SER HA 1 12 ASN QD 0.000 . 4.760 3.342 2.653 4.153 . 0 0 "[ . 1]" 1
103 1 9 SER HA 1 12 ASN HD22 0.000 . 5.280 4.649 3.905 5.292 0.012 3 0 "[ . 1]" 1
104 1 9 SER QB 1 10 TRP HD1 0.000 . 4.840 3.404 3.116 4.279 . 0 0 "[ . 1]" 1
105 1 9 SER QB 1 10 TRP HE1 0.000 . 6.380 4.986 4.661 5.720 . 0 0 "[ . 1]" 1
106 1 9 SER HB2 1 10 TRP H 0.000 . 5.070 3.650 2.840 4.028 . 0 0 "[ . 1]" 1
107 1 9 SER HB2 1 10 TRP HD1 0.000 . 5.250 4.409 3.188 4.805 . 0 0 "[ . 1]" 1
108 1 9 SER HB3 1 10 TRP H 0.000 . 5.070 3.266 2.733 4.022 . 0 0 "[ . 1]" 1
109 1 9 SER HB3 1 10 TRP HD1 0.000 . 5.250 3.786 3.181 4.868 . 0 0 "[ . 1]" 1
110 1 10 TRP H 1 10 TRP HB2 0.000 . 3.640 2.022 2.013 2.028 . 0 0 "[ . 1]" 1
111 1 10 TRP H 1 10 TRP QB 0.000 . 3.410 2.007 1.998 2.013 . 0 0 "[ . 1]" 1
112 1 10 TRP H 1 10 TRP HB3 0.000 . 3.640 3.388 3.379 3.393 . 0 0 "[ . 1]" 1
113 1 10 TRP H 1 10 TRP HD1 0.000 . 3.240 2.841 2.796 2.967 . 0 0 "[ . 1]" 1
114 1 10 TRP H 1 10 TRP HE3 0.000 . 5.500 5.376 5.277 5.390 . 0 0 "[ . 1]" 1
115 1 10 TRP H 1 11 LYS H 0.000 . 2.830 2.480 2.457 2.497 . 0 0 "[ . 1]" 1
116 1 10 TRP H 1 11 LYS QB 0.000 . 6.380 4.209 4.111 4.335 . 0 0 "[ . 1]" 1
117 1 10 TRP HA 1 10 TRP HD1 0.000 . 4.720 3.674 3.651 3.821 . 0 0 "[ . 1]" 1
118 1 10 TRP HA 1 10 TRP HE3 0.000 . 3.360 3.348 3.084 3.385 0.025 7 0 "[ . 1]" 1
119 1 10 TRP HA 1 13 LEU H 0.000 . 4.290 3.179 3.130 3.288 . 0 0 "[ . 1]" 1
120 1 10 TRP HA 1 13 LEU HB2 0.000 . 4.040 3.111 3.067 3.150 . 0 0 "[ . 1]" 1
121 1 10 TRP HA 1 13 LEU QB 0.000 . 3.800 2.945 2.917 2.982 . 0 0 "[ . 1]" 1
122 1 10 TRP HA 1 13 LEU HB3 0.000 . 4.040 3.641 3.586 3.685 . 0 0 "[ . 1]" 1
123 1 10 TRP QB 1 11 LYS H 0.000 . 3.870 2.719 2.704 2.757 . 0 0 "[ . 1]" 1
124 1 10 TRP QB 1 13 LEU QB 0.000 . 5.850 3.917 3.891 3.933 . 0 0 "[ . 1]" 1
125 1 10 TRP HB2 1 10 TRP HE3 0.000 . 3.730 3.977 3.970 4.001 0.271 5 0 "[ . 1]" 1
126 1 10 TRP HB2 1 11 LYS H 0.000 . 4.070 2.876 2.858 2.917 . 0 0 "[ . 1]" 1
127 1 10 TRP HB2 1 13 LEU H 0.000 . 5.500 5.497 5.419 5.518 0.018 6 0 "[ . 1]" 1
128 1 10 TRP HB2 1 13 LEU HB2 0.000 . 7.260 5.864 5.829 5.892 . 0 0 "[ . 1]" 1
129 1 10 TRP HB2 1 13 LEU HB3 0.000 . 7.260 5.757 5.710 5.784 . 0 0 "[ . 1]" 1
130 1 10 TRP HB3 1 10 TRP HE3 0.000 . 3.730 2.431 2.420 2.484 . 0 0 "[ . 1]" 1
131 1 10 TRP HB3 1 11 LYS H 0.000 . 4.070 3.353 3.339 3.393 . 0 0 "[ . 1]" 1
132 1 10 TRP HB3 1 13 LEU H 0.000 . 5.500 4.682 4.596 4.725 . 0 0 "[ . 1]" 1
133 1 10 TRP HB3 1 13 LEU HB2 0.000 . 7.260 4.868 4.841 4.881 . 0 0 "[ . 1]" 1
134 1 10 TRP HB3 1 13 LEU HB3 0.000 . 7.260 4.340 4.294 4.370 . 0 0 "[ . 1]" 1
135 1 10 TRP HE3 1 11 LYS HA 0.000 . 5.500 5.584 5.557 5.599 0.099 7 0 "[ . 1]" 1
136 1 10 TRP HE3 1 13 LEU HB2 0.000 . 5.500 4.012 3.630 4.164 . 0 0 "[ . 1]" 1
137 1 10 TRP HE3 1 13 LEU QB 0.000 . 5.260 2.912 2.569 3.049 . 0 0 "[ . 1]" 1
138 1 10 TRP HE3 1 13 LEU HB3 0.000 . 5.500 2.990 2.627 3.136 . 0 0 "[ . 1]" 1
139 1 10 TRP HE3 1 13 LEU MD1 0.000 . 5.220 3.946 3.761 4.031 . 0 0 "[ . 1]" 1
140 1 10 TRP HE3 1 13 LEU QD 0.000 . 4.900 3.236 3.036 3.333 . 0 0 "[ . 1]" 1
141 1 10 TRP HE3 1 13 LEU MD2 0.000 . 5.220 3.440 3.204 3.593 . 0 0 "[ . 1]" 1
142 1 10 TRP HZ2 1 13 LEU QD 0.000 . 8.070 4.639 4.484 4.809 . 0 0 "[ . 1]" 1
143 1 11 LYS H 1 11 LYS QD 0.000 . 4.990 4.220 4.034 4.417 . 0 0 "[ . 1]" 1
144 1 11 LYS H 1 11 LYS QE 0.000 . 6.380 4.648 3.643 5.130 . 0 0 "[ . 1]" 1
145 1 11 LYS H 1 11 LYS HG2 0.000 . 3.790 3.156 2.314 3.689 . 0 0 "[ . 1]" 1
146 1 11 LYS H 1 11 LYS QG 0.000 . 3.270 2.575 2.260 2.840 . 0 0 "[ . 1]" 1
147 1 11 LYS H 1 11 LYS HG3 0.000 . 3.790 2.942 2.692 3.306 . 0 0 "[ . 1]" 1
148 1 11 LYS H 1 12 ASN H 0.000 . 3.170 2.874 2.839 2.898 . 0 0 "[ . 1]" 1
149 1 11 LYS HA 1 11 LYS HG2 0.000 . 3.700 2.202 2.064 2.435 . 0 0 "[ . 1]" 1
150 1 11 LYS HA 1 11 LYS QG 0.000 . 3.450 2.164 2.027 2.400 . 0 0 "[ . 1]" 1
151 1 11 LYS HA 1 11 LYS HG3 0.000 . 3.700 3.215 2.851 3.644 . 0 0 "[ . 1]" 1
152 1 11 LYS HA 1 13 LEU H 0.000 . 4.480 4.326 3.978 4.457 . 0 0 "[ . 1]" 1
153 1 11 LYS HA 1 14 TRP H 0.000 . 4.290 3.361 3.210 3.413 . 0 0 "[ . 1]" 1
154 1 11 LYS HA 1 14 TRP HB2 0.000 . 4.040 2.508 2.476 2.523 . 0 0 "[ . 1]" 1
155 1 11 LYS HA 1 14 TRP QB 0.000 . 3.840 2.486 2.456 2.500 . 0 0 "[ . 1]" 1
156 1 11 LYS HA 1 14 TRP HB3 0.000 . 4.040 4.080 4.069 4.098 0.058 8 0 "[ . 1]" 1
157 1 11 LYS HA 1 14 TRP HD1 0.000 . 5.340 3.163 3.044 3.244 . 0 0 "[ . 1]" 1
158 1 11 LYS HA 1 15 ASN H 0.000 . 5.500 4.138 4.043 4.199 . 0 0 "[ . 1]" 1
159 1 11 LYS QG 1 12 ASN H 0.000 . 5.070 4.363 4.246 4.448 . 0 0 "[ . 1]" 1
160 1 11 LYS HG2 1 12 ASN H 0.000 . 5.380 4.869 4.589 5.048 . 0 0 "[ . 1]" 1
161 1 11 LYS HG3 1 12 ASN H 0.000 . 5.380 4.947 4.834 5.061 . 0 0 "[ . 1]" 1
162 1 12 ASN H 1 12 ASN HD21 0.000 . 5.280 2.677 2.275 3.218 . 0 0 "[ . 1]" 1
163 1 12 ASN H 1 12 ASN QD 0.000 . 4.490 2.634 2.259 3.116 . 0 0 "[ . 1]" 1
164 1 12 ASN H 1 12 ASN HD22 0.000 . 5.280 4.028 3.814 4.227 . 0 0 "[ . 1]" 1
165 1 12 ASN H 1 13 LEU H 0.000 . 2.800 2.634 2.616 2.644 . 0 0 "[ . 1]" 1
166 1 12 ASN HA 1 15 ASN H 0.000 . 4.290 3.737 3.642 3.943 . 0 0 "[ . 1]" 1
167 1 12 ASN QB 1 16 TRP HE1 0.000 . 6.380 4.377 4.079 4.684 . 0 0 "[ . 1]" 1
168 1 13 LEU H 1 13 LEU HB2 0.000 . 3.140 2.137 2.093 2.247 . 0 0 "[ . 1]" 1
169 1 13 LEU H 1 13 LEU HB3 0.000 . 3.140 2.803 2.732 2.840 . 0 0 "[ . 1]" 1
170 1 13 LEU H 1 14 TRP H 0.000 . 2.930 2.584 2.408 2.658 . 0 0 "[ . 1]" 1
171 1 13 LEU HA 1 13 LEU MD1 0.000 . 4.160 3.344 3.307 3.372 . 0 0 "[ . 1]" 1
172 1 13 LEU HA 1 13 LEU QD 0.000 . 3.730 2.865 2.854 2.887 . 0 0 "[ . 1]" 1
173 1 13 LEU HA 1 13 LEU MD2 0.000 . 4.160 3.115 3.080 3.153 . 0 0 "[ . 1]" 1
174 1 13 LEU HA 1 15 ASN H 0.000 . 5.310 4.229 4.218 4.258 . 0 0 "[ . 1]" 1
175 1 13 LEU HA 1 16 TRP H 0.000 . 4.450 3.306 3.260 3.395 . 0 0 "[ . 1]" 1
176 1 13 LEU HA 1 16 TRP QB 0.000 . 4.740 2.421 2.333 2.555 . 0 0 "[ . 1]" 1
177 1 13 LEU HA 1 16 TRP HD1 0.000 . 4.630 3.861 3.801 3.930 . 0 0 "[ . 1]" 1
178 1 13 LEU HA 1 16 TRP HE1 0.000 . 4.880 4.922 4.916 4.927 0.047 4 0 "[ . 1]" 1
179 1 13 LEU HA 1 16 TRP HE3 0.000 . 5.470 4.514 4.471 4.627 . 0 0 "[ . 1]" 1
180 1 13 LEU QB 1 14 TRP H 0.000 . 3.470 2.562 2.547 2.580 . 0 0 "[ . 1]" 1
181 1 13 LEU HB2 1 14 TRP H 0.000 . 3.700 3.549 3.522 3.597 . 0 0 "[ . 1]" 1
182 1 13 LEU HB3 1 14 TRP H 0.000 . 3.700 2.628 2.609 2.644 . 0 0 "[ . 1]" 1
183 1 13 LEU QD 1 14 TRP H 0.000 . 7.420 3.684 3.602 3.751 . 0 0 "[ . 1]" 1
184 1 13 LEU QD 1 16 TRP HE3 0.000 . 5.560 4.157 4.135 4.170 . 0 0 "[ . 1]" 1
185 1 13 LEU MD1 1 16 TRP HE3 0.000 . 6.050 4.971 4.928 4.988 . 0 0 "[ . 1]" 1
186 1 13 LEU MD1 1 17 PHE QD 0.000 . 8.650 5.655 5.388 5.820 . 0 0 "[ . 1]" 1
187 1 13 LEU MD2 1 16 TRP HE3 0.000 . 6.050 4.458 4.428 4.477 . 0 0 "[ . 1]" 1
188 1 13 LEU MD2 1 17 PHE QD 0.000 . 8.650 3.217 2.928 3.821 . 0 0 "[ . 1]" 1
189 1 14 TRP H 1 14 TRP HB2 0.000 . 3.520 2.233 2.220 2.293 . 0 0 "[ . 1]" 1
190 1 14 TRP H 1 14 TRP HB3 0.000 . 3.520 3.514 3.507 3.533 0.013 5 0 "[ . 1]" 1
191 1 14 TRP H 1 14 TRP HD1 0.000 . 4.510 4.200 4.115 4.240 . 0 0 "[ . 1]" 1
192 1 14 TRP H 1 14 TRP HE3 0.000 . 3.420 3.471 3.458 3.485 0.065 7 0 "[ . 1]" 1
193 1 14 TRP H 1 15 ASN H 0.000 . 3.270 2.665 2.646 2.715 . 0 0 "[ . 1]" 1
194 1 14 TRP HA 1 14 TRP HD1 0.000 . 4.940 4.686 4.681 4.712 . 0 0 "[ . 1]" 1
195 1 14 TRP HA 1 14 TRP HE3 0.000 . 3.240 1.561 1.554 1.586 . 0 0 "[ . 1]" 1
196 1 14 TRP HA 1 17 PHE QB 0.000 . 5.480 4.325 4.113 4.442 . 0 0 "[ . 1]" 1
197 1 14 TRP QB 1 15 ASN H 0.000 . 3.960 2.741 2.729 2.760 . 0 0 "[ . 1]" 1
198 1 14 TRP HB2 1 14 TRP HD1 0.000 . 3.830 2.728 2.710 2.738 . 0 0 "[ . 1]" 1
199 1 14 TRP HB2 1 15 ASN H 0.000 . 4.140 2.834 2.824 2.856 . 0 0 "[ . 1]" 1
200 1 14 TRP HB3 1 14 TRP HD1 0.000 . 3.830 3.046 3.030 3.092 . 0 0 "[ . 1]" 1
201 1 14 TRP HB3 1 15 ASN H 0.000 . 4.140 3.641 3.614 3.717 . 0 0 "[ . 1]" 1
202 1 14 TRP HD1 1 15 ASN H 0.000 . 5.500 5.556 5.514 5.570 0.070 8 0 "[ . 1]" 1
203 1 14 TRP HE3 1 17 PHE QD 0.000 . 7.630 3.551 3.001 5.045 . 0 0 "[ . 1]" 1
204 1 14 TRP HE3 1 17 PHE QE 0.000 . 7.630 4.454 3.498 6.030 . 0 0 "[ . 1]" 1
205 1 15 ASN H 1 15 ASN QD 0.000 . 4.440 3.474 2.554 3.840 . 0 0 "[ . 1]" 1
206 1 15 ASN H 1 16 TRP H 0.000 . 3.080 2.405 2.384 2.417 . 0 0 "[ . 1]" 1
207 1 16 TRP H 1 16 TRP HD1 0.000 . 3.890 2.940 2.904 3.007 . 0 0 "[ . 1]" 1
208 1 16 TRP H 1 17 PHE H 0.000 . 3.790 3.086 3.069 3.093 . 0 0 "[ . 1]" 1
209 1 16 TRP HA 1 16 TRP HD1 0.000 . 4.320 2.363 2.350 2.381 . 0 0 "[ . 1]" 1
210 1 16 TRP HA 1 16 TRP HE3 0.000 . 4.690 4.726 4.714 4.736 0.046 8 0 "[ . 1]" 1
211 1 16 TRP HE3 1 17 PHE H 0.000 . 4.660 4.732 4.718 4.744 0.084 10 0 "[ . 1]" 1
212 1 16 TRP HE3 1 17 PHE HA 0.000 . 5.500 5.510 5.503 5.523 0.023 4 0 "[ . 1]" 1
213 1 17 PHE H 1 17 PHE HB2 0.000 . 3.640 2.317 2.117 2.422 . 0 0 "[ . 1]" 1
214 1 17 PHE H 1 17 PHE QB 0.000 . 3.410 2.286 2.099 2.383 . 0 0 "[ . 1]" 1
215 1 17 PHE H 1 17 PHE HB3 0.000 . 3.640 3.522 3.464 3.541 . 0 0 "[ . 1]" 1
216 1 17 PHE HA 1 18 ASN H 0.000 . 3.420 2.391 2.221 2.624 . 0 0 "[ . 1]" 1
217 1 17 PHE QB 1 18 ASN H 0.000 . 4.270 3.716 2.994 3.920 . 0 0 "[ . 1]" 1
218 1 17 PHE HB2 1 18 ASN H 0.000 . 4.510 4.433 4.081 4.515 0.005 1 0 "[ . 1]" 1
219 1 17 PHE HB3 1 18 ASN H 0.000 . 4.510 4.023 3.080 4.380 . 0 0 "[ . 1]" 1
220 1 17 PHE QD 1 18 ASN H 0.000 . 7.630 4.481 3.753 4.860 . 0 0 "[ . 1]" 1
221 1 17 PHE QD 1 19 ILE H 0.000 . 7.630 5.417 4.502 6.216 . 0 0 "[ . 1]" 1
222 1 18 ASN H 1 18 ASN HB2 0.000 . 3.760 2.351 2.038 3.615 . 0 0 "[ . 1]" 1
223 1 18 ASN H 1 18 ASN QB 0.000 . 3.590 2.189 2.021 2.673 . 0 0 "[ . 1]" 1
224 1 18 ASN H 1 18 ASN HB3 0.000 . 3.760 3.083 2.392 3.583 . 0 0 "[ . 1]" 1
225 1 18 ASN H 1 19 ILE H 0.000 . 4.230 3.638 3.192 4.190 . 0 0 "[ . 1]" 1
226 1 18 ASN HA 1 19 ILE H 0.000 . 3.300 2.579 2.299 2.837 . 0 0 "[ . 1]" 1
227 1 18 ASN QB 1 19 ILE H 0.000 . 4.480 3.922 3.847 4.070 . 0 0 "[ . 1]" 1
228 1 18 ASN HB2 1 19 ILE H 0.000 . 4.790 4.576 4.440 4.675 . 0 0 "[ . 1]" 1
229 1 18 ASN HB3 1 19 ILE H 0.000 . 4.790 4.279 4.098 4.654 . 0 0 "[ . 1]" 1
230 1 19 ILE H 1 19 ILE HB 0.000 . 3.360 2.885 2.461 3.510 0.150 8 0 "[ . 1]" 1
231 1 19 ILE H 1 19 ILE MD 0.000 . 5.090 3.177 2.069 3.694 . 0 0 "[ . 1]" 1
232 1 19 ILE H 1 19 ILE HG12 0.000 . 3.210 2.660 1.729 3.347 0.137 6 0 "[ . 1]" 1
233 1 19 ILE H 1 19 ILE HG13 0.000 . 3.210 2.172 1.626 3.330 0.120 7 0 "[ . 1]" 1
234 1 19 ILE H 1 19 ILE MG 0.000 . 4.320 3.240 2.135 3.702 . 0 0 "[ . 1]" 1
235 1 19 ILE H 1 20 THR H 0.000 . 3.050 2.740 2.586 2.889 . 0 0 "[ . 1]" 1
236 1 19 ILE HA 1 19 ILE MD 0.000 . 4.600 3.509 1.952 3.936 . 0 0 "[ . 1]" 1
237 1 19 ILE HA 1 19 ILE HG12 0.000 . 3.890 3.255 2.619 4.047 0.157 8 0 "[ . 1]" 1
238 1 19 ILE HA 1 19 ILE QG 0.000 . 3.650 2.886 2.457 3.335 . 0 0 "[ . 1]" 1
239 1 19 ILE HA 1 19 ILE HG13 0.000 . 3.890 3.327 2.675 3.937 0.047 10 0 "[ . 1]" 1
240 1 19 ILE HA 1 21 ASN H 0.000 . 5.500 3.779 3.707 4.128 . 0 0 "[ . 1]" 1
241 1 19 ILE HA 1 22 TRP H 0.000 . 4.420 3.138 2.995 3.788 . 0 0 "[ . 1]" 1
242 1 19 ILE HA 1 22 TRP HB2 0.000 . 4.790 3.498 2.123 5.052 0.262 6 0 "[ . 1]" 1
243 1 19 ILE HA 1 22 TRP QB 0.000 . 4.490 3.168 2.108 4.318 . 0 0 "[ . 1]" 1
244 1 19 ILE HA 1 22 TRP HB3 0.000 . 4.790 4.150 3.606 4.861 0.071 10 0 "[ . 1]" 1
245 1 19 ILE HA 1 22 TRP HD1 0.000 . 4.420 3.115 2.225 3.356 . 0 0 "[ . 1]" 1
246 1 19 ILE HA 1 22 TRP HE1 0.000 . 5.310 3.734 2.012 5.352 0.042 9 0 "[ . 1]" 1
247 1 19 ILE HA 1 22 TRP HE3 0.000 . 5.500 5.206 4.389 5.650 0.150 6 0 "[ . 1]" 1
248 1 19 ILE HB 1 20 THR H 0.000 . 3.760 3.006 2.628 3.776 0.016 8 0 "[ . 1]" 1
249 1 19 ILE MD 1 20 THR H 0.000 . 5.340 3.888 2.526 4.443 . 0 0 "[ . 1]" 1
250 1 19 ILE QG 1 20 THR H 0.000 . 5.210 3.183 1.677 4.135 . 0 0 "[ . 1]" 1
251 1 19 ILE HG12 1 20 THR H 0.000 . 5.340 4.276 3.426 5.282 . 0 0 "[ . 1]" 1
252 1 19 ILE HG13 1 20 THR H 0.000 . 5.340 3.511 1.681 4.947 . 0 0 "[ . 1]" 1
253 1 19 ILE MG 1 20 THR H 0.000 . 4.780 3.839 3.575 4.002 . 0 0 "[ . 1]" 1
254 1 20 THR H 1 20 THR HB 0.000 . 3.300 2.538 2.239 2.851 . 0 0 "[ . 1]" 1
255 1 20 THR H 1 20 THR MG 0.000 . 4.220 2.979 1.950 3.690 . 0 0 "[ . 1]" 1
256 1 20 THR H 1 21 ASN H 0.000 . 3.050 2.718 2.346 2.823 . 0 0 "[ . 1]" 1
257 1 20 THR HA 1 22 TRP H 0.000 . 4.790 4.430 3.944 4.944 0.154 6 0 "[ . 1]" 1
258 1 20 THR HA 1 23 LEU H 0.000 . 4.420 3.572 3.485 3.793 . 0 0 "[ . 1]" 1
259 1 20 THR HA 1 23 LEU HB2 0.000 . 4.720 2.787 2.055 3.502 . 0 0 "[ . 1]" 1
260 1 20 THR HA 1 23 LEU QB 0.000 . 4.470 2.741 2.037 3.409 . 0 0 "[ . 1]" 1
261 1 20 THR HA 1 23 LEU HB3 0.000 . 4.720 4.109 3.338 4.741 0.021 8 0 "[ . 1]" 1
262 1 20 THR HA 1 23 LEU MD1 0.000 . 5.370 2.551 1.946 2.885 . 0 0 "[ . 1]" 1
263 1 20 THR HA 1 23 LEU QD 0.000 . 4.780 2.533 1.944 2.847 . 0 0 "[ . 1]" 1
264 1 20 THR HA 1 23 LEU MD2 0.000 . 5.370 4.470 4.045 4.654 . 0 0 "[ . 1]" 1
265 1 20 THR HA 1 23 LEU HG 0.000 . 4.320 3.327 2.502 3.995 . 0 0 "[ . 1]" 1
266 1 20 THR HB 1 21 ASN H 0.000 . 4.200 3.346 2.819 4.059 . 0 0 "[ . 1]" 1
267 1 20 THR MG 1 21 ASN H 0.000 . 5.620 3.147 1.968 4.042 . 0 0 "[ . 1]" 1
268 1 20 THR MG 1 22 TRP H 0.000 . 6.520 4.843 4.075 5.385 . 0 0 "[ . 1]" 1
269 1 21 ASN H 1 21 ASN HD21 0.000 . 5.500 3.940 2.576 4.615 . 0 0 "[ . 1]" 1
270 1 21 ASN H 1 21 ASN QD 0.000 . 4.670 3.773 2.553 4.204 . 0 0 "[ . 1]" 1
271 1 21 ASN H 1 21 ASN HD22 0.000 . 5.500 4.995 4.174 5.386 . 0 0 "[ . 1]" 1
272 1 21 ASN HA 1 24 TRP H 0.000 . 5.380 3.941 3.783 4.113 . 0 0 "[ . 1]" 1
273 1 21 ASN QB 1 22 TRP HD1 0.000 . 6.380 3.094 2.499 3.725 . 0 0 "[ . 1]" 1
274 1 21 ASN QB 1 22 TRP HE1 0.000 . 6.380 5.021 4.339 5.904 . 0 0 "[ . 1]" 1
275 1 22 TRP H 1 22 TRP HB2 0.000 . 3.580 2.769 1.936 3.618 0.038 4 0 "[ . 1]" 1
276 1 22 TRP H 1 22 TRP QB 0.000 . 3.330 2.334 1.922 2.919 . 0 0 "[ . 1]" 1
277 1 22 TRP H 1 22 TRP HB3 0.000 . 3.580 3.058 2.210 3.269 . 0 0 "[ . 1]" 1
278 1 22 TRP H 1 22 TRP HD1 0.000 . 3.080 2.600 1.914 3.158 0.078 7 0 "[ . 1]" 1
279 1 22 TRP H 1 23 LEU H 0.000 . 2.830 2.414 2.334 2.617 . 0 0 "[ . 1]" 1
280 1 22 TRP H 1 23 LEU QD 0.000 . 7.360 4.194 3.767 4.866 . 0 0 "[ . 1]" 1
281 1 22 TRP HA 1 22 TRP HD1 0.000 . 4.010 3.673 3.239 4.130 0.120 4 0 "[ . 1]" 1
282 1 22 TRP HA 1 22 TRP HE3 0.000 . 4.510 4.219 3.831 4.673 0.163 2 0 "[ . 1]" 1
283 1 22 TRP HA 1 24 TRP H 0.000 . 4.630 3.900 3.676 4.107 . 0 0 "[ . 1]" 1
284 1 22 TRP HA 1 25 TYR QD 0.000 . 7.570 4.213 3.438 4.438 . 0 0 "[ . 1]" 1
285 1 22 TRP HA 1 25 TYR QE 0.000 . 7.630 5.223 2.509 6.487 . 0 0 "[ . 1]" 1
286 1 22 TRP QB 1 22 TRP HE3 0.000 . 3.580 2.354 2.304 2.412 . 0 0 "[ . 1]" 1
287 1 22 TRP QB 1 23 LEU H 0.000 . 3.940 3.233 2.776 3.663 . 0 0 "[ . 1]" 1
288 1 22 TRP HB2 1 22 TRP HE3 0.000 . 3.790 3.147 2.322 3.935 0.145 5 0 "[ . 1]" 1
289 1 22 TRP HB2 1 23 LEU H 0.000 . 4.200 3.536 3.019 4.201 0.001 6 0 "[ . 1]" 1
290 1 22 TRP HB3 1 22 TRP HE3 0.000 . 3.790 3.131 2.374 3.921 0.131 4 0 "[ . 1]" 1
291 1 22 TRP HB3 1 23 LEU H 0.000 . 4.200 3.762 3.239 4.357 0.157 2 0 "[ . 1]" 1
292 1 22 TRP HD1 1 23 LEU QD 0.000 . 7.480 5.205 3.756 5.520 . 0 0 "[ . 1]" 1
293 1 22 TRP HE3 1 23 LEU HA 0.000 . 4.880 4.609 3.864 5.036 0.156 7 0 "[ . 1]" 1
294 1 23 LEU H 1 23 LEU HB2 0.000 . 3.580 2.311 2.007 2.515 . 0 0 "[ . 1]" 1
295 1 23 LEU H 1 23 LEU QB 0.000 . 3.340 2.278 1.993 2.464 . 0 0 "[ . 1]" 1
296 1 23 LEU H 1 23 LEU HB3 0.000 . 3.580 3.499 3.385 3.529 . 0 0 "[ . 1]" 1
297 1 23 LEU H 1 23 LEU MD1 0.000 . 4.910 3.593 3.541 3.721 . 0 0 "[ . 1]" 1
298 1 23 LEU H 1 23 LEU QD 0.000 . 4.510 2.929 2.525 3.339 . 0 0 "[ . 1]" 1
299 1 23 LEU H 1 23 LEU MD2 0.000 . 4.910 3.204 2.583 3.937 . 0 0 "[ . 1]" 1
300 1 23 LEU H 1 23 LEU HG 0.000 . 2.900 2.307 1.910 2.919 0.019 6 0 "[ . 1]" 1
301 1 23 LEU H 1 24 TRP H 0.000 . 3.360 2.547 2.502 2.580 . 0 0 "[ . 1]" 1
302 1 23 LEU HA 1 23 LEU MD1 0.000 . 4.320 3.713 3.676 3.760 . 0 0 "[ . 1]" 1
303 1 23 LEU HA 1 23 LEU QD 0.000 . 3.620 1.982 1.905 2.060 . 0 0 "[ . 1]" 1
304 1 23 LEU HA 1 23 LEU MD2 0.000 . 4.320 1.990 1.911 2.070 . 0 0 "[ . 1]" 1
305 1 23 LEU HA 1 23 LEU HG 0.000 . 3.300 3.037 2.556 3.352 0.052 5 0 "[ . 1]" 1
306 1 23 LEU HA 1 25 TYR H 0.000 . 4.540 3.573 3.508 3.740 . 0 0 "[ . 1]" 1
307 1 23 LEU HA 1 25 TYR QD 0.000 . 7.630 4.115 2.919 5.040 . 0 0 "[ . 1]" 1
308 1 23 LEU HA 1 26 ILE H 0.000 . 4.630 2.989 2.722 3.316 . 0 0 "[ . 1]" 1
309 1 23 LEU HA 1 26 ILE HB 0.000 . 5.000 4.402 4.061 5.012 0.012 5 0 "[ . 1]" 1
310 1 23 LEU HA 1 26 ILE HG12 0.000 . 4.510 3.235 2.540 3.607 . 0 0 "[ . 1]" 1
311 1 23 LEU HA 1 26 ILE QG 0.000 . 4.000 2.281 1.938 2.737 . 0 0 "[ . 1]" 1
312 1 23 LEU HA 1 26 ILE HG13 0.000 . 4.510 2.599 1.952 3.726 . 0 0 "[ . 1]" 1
313 1 23 LEU QB 1 24 TRP H 0.000 . 3.820 2.912 2.811 2.975 . 0 0 "[ . 1]" 1
314 1 23 LEU QB 1 25 TYR H 0.000 . 6.380 4.506 4.452 4.628 . 0 0 "[ . 1]" 1
315 1 23 LEU QB 1 26 ILE H 0.000 . 5.820 4.167 4.026 4.286 . 0 0 "[ . 1]" 1
316 1 23 LEU HB2 1 24 TRP H 0.000 . 3.980 3.016 2.924 3.137 . 0 0 "[ . 1]" 1
317 1 23 LEU HB3 1 24 TRP H 0.000 . 3.980 3.881 3.571 4.115 0.135 5 0 "[ . 1]" 1
318 1 23 LEU QD 1 24 TRP H 0.000 . 5.500 4.146 4.020 4.246 . 0 0 "[ . 1]" 1
319 1 23 LEU MD1 1 24 TRP H 0.000 . 5.870 4.891 4.811 4.951 . 0 0 "[ . 1]" 1
320 1 23 LEU MD2 1 24 TRP H 0.000 . 5.870 4.493 4.254 4.694 . 0 0 "[ . 1]" 1
321 1 24 TRP H 1 24 TRP HB2 0.000 . 3.390 2.882 2.019 3.483 0.093 8 0 "[ . 1]" 1
322 1 24 TRP H 1 24 TRP QB 0.000 . 3.210 2.060 2.004 2.156 . 0 0 "[ . 1]" 1
323 1 24 TRP H 1 24 TRP HB3 0.000 . 3.390 2.625 2.071 3.403 0.013 3 0 "[ . 1]" 1
324 1 24 TRP H 1 24 TRP HD1 0.000 . 3.390 2.621 2.057 3.395 0.005 10 0 "[ . 1]" 1
325 1 24 TRP H 1 25 TYR H 0.000 . 2.960 2.861 2.792 2.954 . 0 0 "[ . 1]" 1
326 1 24 TRP HA 1 24 TRP HD1 0.000 . 4.760 4.062 3.742 4.304 . 0 0 "[ . 1]" 1
327 1 24 TRP HA 1 24 TRP HE3 0.000 . 5.000 3.904 2.476 4.639 . 0 0 "[ . 1]" 1
328 1 24 TRP HA 1 26 ILE H 0.000 . 5.190 4.388 4.176 4.565 . 0 0 "[ . 1]" 1
329 1 24 TRP QB 1 25 TYR QD 0.000 . 8.510 5.058 3.324 6.015 . 0 0 "[ . 1]" 1
330 1 24 TRP HB2 1 25 TYR H 0.000 . 4.170 3.726 3.112 4.186 0.016 2 0 "[ . 1]" 1
331 1 24 TRP HB3 1 25 TYR H 0.000 . 4.170 3.642 3.275 3.911 . 0 0 "[ . 1]" 1
332 1 24 TRP HE3 1 25 TYR HA 0.000 . 5.070 4.987 4.285 5.086 0.016 4 0 "[ . 1]" 1
333 1 25 TYR H 1 25 TYR HB2 0.000 . 3.580 3.243 2.503 3.596 0.016 8 0 "[ . 1]" 1
334 1 25 TYR H 1 25 TYR QB 0.000 . 3.310 2.220 2.018 2.604 . 0 0 "[ . 1]" 1
335 1 25 TYR H 1 25 TYR HB3 0.000 . 3.580 2.446 2.033 3.590 0.010 3 0 "[ . 1]" 1
336 1 25 TYR H 1 26 ILE H 0.000 . 2.740 2.390 2.213 2.664 . 0 0 "[ . 1]" 1
337 1 25 TYR H 1 26 ILE HG12 0.000 . 5.500 4.165 3.616 5.286 . 0 0 "[ . 1]" 1
338 1 25 TYR H 1 26 ILE QG 0.000 . 5.240 3.487 3.194 3.892 . 0 0 "[ . 1]" 1
339 1 25 TYR H 1 26 ILE HG13 0.000 . 5.500 3.802 3.554 4.133 . 0 0 "[ . 1]" 1
340 1 25 TYR HB2 1 26 ILE H 0.000 . 4.450 4.083 2.667 4.506 0.056 2 0 "[ . 1]" 1
341 1 25 TYR HB3 1 26 ILE H 0.000 . 4.450 3.706 3.232 4.107 . 0 0 "[ . 1]" 1
342 1 25 TYR QD 1 26 ILE MD 0.000 . 8.650 4.152 3.230 5.174 . 0 0 "[ . 1]" 1
343 1 25 TYR QD 1 26 ILE MG 0.000 . 8.340 3.025 1.927 4.544 . 0 0 "[ . 1]" 1
344 1 25 TYR QE 1 26 ILE MD 0.000 . 8.650 4.366 2.750 6.329 . 0 0 "[ . 1]" 1
345 1 25 TYR QE 1 26 ILE MG 0.000 . 8.650 3.116 1.870 6.406 . 0 0 "[ . 1]" 1
346 1 26 ILE H 1 26 ILE HB 0.000 . 3.330 3.527 3.492 3.569 0.239 5 0 "[ . 1]" 1
347 1 26 ILE H 1 26 ILE MD 0.000 . 4.630 3.462 2.104 3.654 . 0 0 "[ . 1]" 1
348 1 26 ILE H 1 26 ILE HG12 0.000 . 3.240 2.625 2.273 3.350 0.110 5 0 "[ . 1]" 1
349 1 26 ILE H 1 26 ILE QG 0.000 . 2.900 1.881 1.754 2.004 . 0 0 "[ . 1]" 1
350 1 26 ILE H 1 26 ILE HG13 0.000 . 3.240 1.944 1.760 2.037 . 0 0 "[ . 1]" 1
351 1 26 ILE H 1 26 ILE MG 0.000 . 4.720 2.908 1.923 3.399 . 0 0 "[ . 1]" 1
352 1 26 ILE H 1 27 LYS H 0.000 . 2.860 2.692 2.168 2.893 0.033 9 0 "[ . 1]" 1
353 1 26 ILE HA 1 26 ILE HG12 0.000 . 4.170 3.820 3.540 4.217 0.047 5 0 "[ . 1]" 1
354 1 26 ILE HA 1 26 ILE HG13 0.000 . 4.170 3.610 3.539 3.665 . 0 0 "[ . 1]" 1
355 1 26 ILE HA 1 27 LYS H 0.000 . 3.330 3.474 3.267 3.511 0.181 3 0 "[ . 1]" 1
356 1 26 ILE HB 1 27 LYS H 0.000 . 4.320 2.859 2.080 4.113 . 0 0 "[ . 1]" 1
357 1 26 ILE MD 1 27 LYS H 0.000 . 3.450 2.718 2.262 2.831 . 0 0 "[ . 1]" 1
358 1 26 ILE QG 1 27 LYS H 0.000 . 4.590 2.093 1.869 3.543 . 0 0 "[ . 1]" 1
359 1 26 ILE HG12 1 27 LYS H 0.000 . 5.070 3.661 3.424 4.808 . 0 0 "[ . 1]" 1
360 1 26 ILE HG13 1 27 LYS H 0.000 . 5.070 2.112 1.877 3.648 . 0 0 "[ . 1]" 1
361 1 26 ILE MG 1 27 LYS H 0.000 . 5.120 3.778 3.655 4.344 . 0 0 "[ . 1]" 1
362 1 27 LYS H 1 27 LYS HB2 0.000 . 4.010 2.265 2.019 3.550 . 0 0 "[ . 1]" 1
363 1 27 LYS H 1 27 LYS QB 0.000 . 3.680 2.116 1.989 2.519 . 0 0 "[ . 1]" 1
364 1 27 LYS H 1 27 LYS HB3 0.000 . 4.010 3.099 2.557 3.453 . 0 0 "[ . 1]" 1
365 1 27 LYS H 1 27 LYS QG 0.000 . 4.800 3.397 2.041 3.965 . 0 0 "[ . 1]" 1
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