NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472700 |
1ejq   |
4591 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ejq
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 367
_Distance_constraint_stats_list.Viol_count 479
_Distance_constraint_stats_list.Viol_total 4004.323
_Distance_constraint_stats_list.Viol_max 2.478
_Distance_constraint_stats_list.Viol_rms 0.2556
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0485
_Distance_constraint_stats_list.Viol_average_violations_only 0.5573
_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 ARG 0.000 0.000 . 0 "[ . 1 .]"
1 5 LYS 0.000 0.000 . 0 "[ . 1 .]"
1 6 ASP 0.000 0.000 . 0 "[ . 1 .]"
1 7 GLU 0.191 0.191 12 0 "[ . 1 .]"
1 8 GLY 0.191 0.191 12 0 "[ . 1 .]"
1 9 SER 1.252 0.352 6 0 "[ . 1 .]"
1 10 TYR 2.098 0.449 4 0 "[ . 1 .]"
1 11 ASP 1.748 0.449 4 0 "[ . 1 .]"
1 12 LEU 5.286 0.284 14 0 "[ . 1 .]"
1 13 GLY 0.018 0.018 5 0 "[ . 1 .]"
1 14 LYS 0.171 0.093 13 0 "[ . 1 .]"
1 15 LYS 0.305 0.164 5 0 "[ . 1 .]"
1 16 PRO 5.114 0.501 12 1 "[ . 1 + .]"
1 17 ILE 99.834 2.476 9 15 [********+**-***]
1 18 TYR 106.276 2.476 9 15 [****-***+******]
1 19 LYS 22.016 1.460 6 15 [****-+*********]
1 20 LYS 0.245 0.064 11 0 "[ . 1 .]"
1 21 ALA 0.076 0.038 11 0 "[ . 1 .]"
1 22 PRO 0.497 0.178 9 0 "[ . 1 .]"
1 23 THR 1.160 0.257 12 0 "[ . 1 .]"
1 24 ASN 2.845 1.567 9 1 "[ . +1 .]"
1 25 GLU 2.238 1.567 9 1 "[ . +1 .]"
1 26 PHE 0.222 0.222 15 0 "[ . 1 .]"
1 27 TYR 0.011 0.011 13 0 "[ . 1 .]"
1 28 ALA 0.011 0.011 13 0 "[ . 1 .]"
2 1 ARG 0.000 0.000 . 0 "[ . 1 .]"
2 5 LYS 0.000 0.000 . 0 "[ . 1 .]"
2 6 ASP 0.000 0.000 . 0 "[ . 1 .]"
2 7 GLU 0.193 0.193 12 0 "[ . 1 .]"
2 8 GLY 0.193 0.193 12 0 "[ . 1 .]"
2 9 SER 1.252 0.353 6 0 "[ . 1 .]"
2 10 TYR 2.092 0.451 4 0 "[ . 1 .]"
2 11 ASP 1.737 0.451 4 0 "[ . 1 .]"
2 12 LEU 5.280 0.290 14 0 "[ . 1 .]"
2 13 GLY 0.020 0.020 5 0 "[ . 1 .]"
2 14 LYS 0.171 0.073 13 0 "[ . 1 .]"
2 15 LYS 0.341 0.168 5 0 "[ . 1 .]"
2 16 PRO 5.090 0.497 7 0 "[ . 1 .]"
2 17 ILE 99.915 2.478 9 15 [********+*****-]
2 18 TYR 106.269 2.478 9 15 [****-***+******]
2 19 LYS 22.028 1.465 6 15 [****-+*********]
2 20 LYS 0.269 0.047 10 0 "[ . 1 .]"
2 21 ALA 0.071 0.037 11 0 "[ . 1 .]"
2 22 PRO 0.496 0.180 9 0 "[ . 1 .]"
2 23 THR 1.168 0.260 12 0 "[ . 1 .]"
2 24 ASN 2.856 1.567 9 1 "[ . +1 .]"
2 25 GLU 2.241 1.567 9 1 "[ . +1 .]"
2 26 PHE 0.222 0.222 15 0 "[ . 1 .]"
2 27 TYR 0.012 0.012 13 0 "[ . 1 .]"
2 28 ALA 0.012 0.012 13 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 ARG HA 1 1 ARG QD 3.000 . 4.300 3.765 2.116 4.290 . 0 0 "[ . 1 .]" 1
2 1 5 LYS H 1 5 LYS HA 3.000 . 3.300 2.914 2.366 3.003 . 0 0 "[ . 1 .]" 1
3 1 5 LYS H 1 5 LYS QG 4.000 . 6.000 3.859 3.197 4.245 . 0 0 "[ . 1 .]" 1
4 1 5 LYS H 1 6 ASP H 4.000 . 5.000 3.655 2.690 4.492 . 0 0 "[ . 1 .]" 1
5 1 5 LYS HA 1 6 ASP H 4.000 . 5.000 2.675 2.211 3.592 . 0 0 "[ . 1 .]" 1
6 1 5 LYS QB 1 6 ASP H 4.000 . 6.000 3.255 2.024 4.033 . 0 0 "[ . 1 .]" 1
7 1 5 LYS QD 1 6 ASP H 4.000 . 6.000 4.769 2.720 5.918 . 0 0 "[ . 1 .]" 1
8 1 5 LYS QG 1 6 ASP H 3.000 . 4.300 3.607 2.457 4.237 . 0 0 "[ . 1 .]" 1
9 1 6 ASP H 1 6 ASP QB 3.000 . 4.300 2.482 1.923 3.000 . 0 0 "[ . 1 .]" 1
10 1 6 ASP HA 1 6 ASP QB 2.500 . 3.700 2.406 2.205 2.549 . 0 0 "[ . 1 .]" 1
11 1 6 ASP HA 1 7 GLU H 4.000 . 5.000 2.640 2.214 3.584 . 0 0 "[ . 1 .]" 1
12 1 6 ASP QB 1 7 GLU H 4.000 . 6.000 3.414 1.959 4.066 . 0 0 "[ . 1 .]" 1
13 1 7 GLU H 1 7 GLU HA 3.000 . 3.300 2.977 2.892 3.002 . 0 0 "[ . 1 .]" 1
14 1 7 GLU H 1 7 GLU QB 3.000 . 4.300 2.350 2.070 3.122 . 0 0 "[ . 1 .]" 1
15 1 7 GLU H 1 8 GLY H 4.000 . 5.000 4.077 2.380 4.589 . 0 0 "[ . 1 .]" 1
16 1 7 GLU HA 1 7 GLU QG 3.000 . 4.300 2.257 2.008 3.343 . 0 0 "[ . 1 .]" 1
17 1 7 GLU HA 1 8 GLY H 3.000 . 3.300 2.479 2.216 3.491 0.191 12 0 "[ . 1 .]" 1
18 1 7 GLU QB 1 8 GLY H 4.000 . 6.000 3.342 1.886 3.986 . 0 0 "[ . 1 .]" 1
19 1 8 GLY H 1 8 GLY QA 2.500 . 3.700 2.379 2.260 2.522 . 0 0 "[ . 1 .]" 1
20 1 8 GLY QA 1 9 SER H 4.000 . 6.000 2.326 2.157 2.801 . 0 0 "[ . 1 .]" 1
21 1 9 SER H 1 10 TYR H 4.000 . 5.000 3.705 2.264 4.653 . 0 0 "[ . 1 .]" 1
22 1 9 SER HA 1 9 SER QB 2.500 . 3.700 2.369 2.183 2.544 . 0 0 "[ . 1 .]" 1
23 1 9 SER HA 1 10 TYR H 4.000 . 5.000 2.784 2.207 3.593 . 0 0 "[ . 1 .]" 1
24 1 9 SER QB 1 10 TYR HA 3.000 . 4.300 4.260 3.866 4.652 0.352 6 0 "[ . 1 .]" 1
25 1 9 SER QB 2 10 TYR HA 4.000 . 6.000 4.510 2.946 5.354 . 0 0 "[ . 1 .]" 1
26 1 10 TYR H 1 10 TYR QB 2.500 . 3.700 2.636 2.171 3.214 . 0 0 "[ . 1 .]" 1
27 1 10 TYR H 1 11 ASP H 4.000 . 5.000 3.488 1.888 4.703 . 0 0 "[ . 1 .]" 1
28 1 10 TYR HA 1 10 TYR QD 3.000 . 4.300 2.792 2.027 3.710 . 0 0 "[ . 1 .]" 1
29 1 10 TYR HA 1 11 ASP H 4.000 . 5.000 3.050 2.224 3.593 . 0 0 "[ . 1 .]" 1
30 1 10 TYR HA 2 9 SER QB 4.000 . 6.000 4.520 2.941 5.314 . 0 0 "[ . 1 .]" 1
31 1 10 TYR QB 1 10 TYR QD 2.500 . 3.700 2.160 2.149 2.197 . 0 0 "[ . 1 .]" 1
32 1 10 TYR QB 1 10 TYR QE 3.000 . 4.300 3.970 3.963 3.986 . 0 0 "[ . 1 .]" 1
33 1 10 TYR QB 1 11 ASP H 3.000 . 4.300 2.526 1.877 3.943 . 0 0 "[ . 1 .]" 1
34 1 10 TYR QD 1 11 ASP H 3.000 . 4.300 3.886 2.754 4.749 0.449 4 0 "[ . 1 .]" 1
35 1 11 ASP H 1 11 ASP HA 3.000 . 3.300 2.963 2.908 3.003 . 0 0 "[ . 1 .]" 1
36 1 11 ASP H 1 11 ASP QB 3.000 . 4.300 2.574 2.006 2.827 . 0 0 "[ . 1 .]" 1
37 1 11 ASP H 1 12 LEU H 4.000 . 5.000 3.033 2.032 4.345 . 0 0 "[ . 1 .]" 1
38 1 11 ASP HA 1 12 LEU H 2.500 . 2.700 2.658 2.350 2.984 0.284 14 0 "[ . 1 .]" 1
39 1 11 ASP HA 1 12 LEU QD 4.000 . 6.000 4.970 3.833 5.474 . 0 0 "[ . 1 .]" 1
40 1 11 ASP HA 2 12 LEU HA 4.000 . 6.000 5.107 4.288 5.892 . 0 0 "[ . 1 .]" 1
41 1 11 ASP HA 2 12 LEU QD 4.000 . 6.000 4.360 3.993 4.483 . 0 0 "[ . 1 .]" 1
42 1 11 ASP QB 1 12 LEU H 3.000 . 4.300 3.885 3.468 4.026 . 0 0 "[ . 1 .]" 1
43 1 12 LEU H 1 12 LEU HA 2.500 . 2.700 2.916 2.883 2.968 0.268 14 0 "[ . 1 .]" 1
44 1 12 LEU H 1 12 LEU QB 2.500 . 2.700 2.625 1.996 2.935 0.235 14 0 "[ . 1 .]" 1
45 1 12 LEU H 1 12 LEU QD 4.000 . 6.000 3.320 1.969 3.915 . 0 0 "[ . 1 .]" 1
46 1 12 LEU H 1 13 GLY H 4.000 . 5.000 3.830 2.653 4.387 . 0 0 "[ . 1 .]" 1
47 1 12 LEU HA 1 12 LEU QD 4.000 . 6.000 2.683 1.817 3.415 . 0 0 "[ . 1 .]" 1
48 1 12 LEU HA 1 12 LEU HG 4.000 . 6.000 2.854 2.243 3.611 . 0 0 "[ . 1 .]" 1
49 1 12 LEU HA 1 13 GLY H 3.000 . 3.300 2.477 2.210 3.267 . 0 0 "[ . 1 .]" 1
50 1 12 LEU HA 2 11 ASP HA 4.000 . 6.000 5.127 4.364 5.934 . 0 0 "[ . 1 .]" 1
51 1 12 LEU HA 2 12 LEU QD 4.000 . 6.000 4.216 3.382 4.457 . 0 0 "[ . 1 .]" 1
52 1 12 LEU HA 2 14 LYS HA 4.000 . 6.000 5.796 5.379 6.073 0.073 13 0 "[ . 1 .]" 1
53 1 12 LEU HA 2 14 LYS QD 4.000 . 6.000 4.676 3.905 5.352 . 0 0 "[ . 1 .]" 1
54 1 12 LEU QB 1 13 GLY H 4.000 . 6.000 3.756 3.053 3.968 . 0 0 "[ . 1 .]" 1
55 1 12 LEU QD 2 12 LEU HA 4.000 . 6.000 4.219 3.426 4.476 . 0 0 "[ . 1 .]" 1
56 1 13 GLY H 1 13 GLY QA 2.500 . 3.700 2.433 2.252 2.526 . 0 0 "[ . 1 .]" 1
57 1 13 GLY H 1 14 LYS H 4.000 . 5.000 2.311 2.088 2.641 . 0 0 "[ . 1 .]" 1
58 1 13 GLY H 1 14 LYS QG 4.000 . 6.000 4.991 3.519 6.018 0.018 5 0 "[ . 1 .]" 1
59 1 13 GLY QA 1 14 LYS H 2.500 . 3.700 2.711 2.434 2.928 . 0 0 "[ . 1 .]" 1
60 1 13 GLY QA 2 12 LEU HA 5.000 . 7.000 3.353 1.975 5.530 . 0 0 "[ . 1 .]" 1
61 1 14 LYS H 1 14 LYS QB 3.000 . 4.300 2.154 1.950 2.415 . 0 0 "[ . 1 .]" 1
62 1 14 LYS H 1 14 LYS QG 4.000 . 6.000 3.181 2.116 3.980 . 0 0 "[ . 1 .]" 1
63 1 14 LYS H 1 15 LYS H 4.000 . 5.000 4.616 4.552 4.672 . 0 0 "[ . 1 .]" 1
64 1 14 LYS HA 1 15 LYS H 3.000 . 4.300 2.390 2.278 2.535 . 0 0 "[ . 1 .]" 1
65 1 14 LYS HA 2 12 LEU HA 4.000 . 6.000 5.808 5.442 6.093 0.093 13 0 "[ . 1 .]" 1
66 1 14 LYS HA 2 15 LYS HA 4.000 . 5.000 4.748 4.228 5.018 0.018 14 0 "[ . 1 .]" 1
67 1 14 LYS QB 1 15 LYS H 4.000 . 6.000 2.826 2.424 3.183 . 0 0 "[ . 1 .]" 1
68 1 14 LYS QD 1 15 LYS H 4.000 . 6.000 4.610 3.993 5.127 . 0 0 "[ . 1 .]" 1
69 1 15 LYS H 1 15 LYS QB 2.500 . 3.700 2.655 2.341 3.083 . 0 0 "[ . 1 .]" 1
70 1 15 LYS H 1 15 LYS QD 4.000 . 6.000 4.247 2.482 5.202 . 0 0 "[ . 1 .]" 1
71 1 15 LYS H 1 15 LYS QG 2.500 . 3.700 3.004 1.855 3.864 0.164 5 0 "[ . 1 .]" 1
72 1 15 LYS HA 1 15 LYS QD 3.000 . 4.300 3.877 3.259 4.312 0.012 8 0 "[ . 1 .]" 1
73 1 15 LYS HA 1 15 LYS QG 3.000 . 4.300 2.463 1.947 3.303 . 0 0 "[ . 1 .]" 1
74 1 15 LYS HA 1 16 PRO QD 2.500 . 3.700 2.046 1.981 2.132 . 0 0 "[ . 1 .]" 1
75 1 15 LYS HA 2 14 LYS HA 4.000 . 5.000 4.776 4.187 5.015 0.015 6 0 "[ . 1 .]" 1
76 1 15 LYS HA 2 16 PRO HA 4.000 . 5.000 4.940 4.849 5.022 0.022 6 0 "[ . 1 .]" 1
77 1 15 LYS QB 1 16 PRO QD 3.000 . 4.300 2.309 1.972 2.716 . 0 0 "[ . 1 .]" 1
78 1 15 LYS QG 1 16 PRO QD 3.000 . 4.300 3.026 1.964 3.848 . 0 0 "[ . 1 .]" 1
79 1 16 PRO HA 1 16 PRO QG 3.000 . 4.300 3.514 3.511 3.517 . 0 0 "[ . 1 .]" 1
80 1 16 PRO HA 1 17 ILE H 2.500 . 2.700 2.360 2.241 2.406 . 0 0 "[ . 1 .]" 1
81 1 16 PRO HA 1 17 ILE MD 3.000 . 4.300 4.524 3.457 4.801 0.501 12 1 "[ . 1 + .]" 1
82 1 16 PRO HA 2 15 LYS HA 4.000 . 5.000 4.955 4.889 5.047 0.047 6 0 "[ . 1 .]" 1
83 1 16 PRO HA 2 17 ILE HA 4.000 . 5.000 5.005 4.968 5.083 0.083 7 0 "[ . 1 .]" 1
84 1 16 PRO HA 2 17 ILE MD 4.000 . 6.000 3.252 1.958 3.672 . 0 0 "[ . 1 .]" 1
85 1 16 PRO QB 1 16 PRO QD 3.000 . 4.300 2.831 2.812 2.841 . 0 0 "[ . 1 .]" 1
86 1 16 PRO QB 1 17 ILE H 3.000 . 4.300 2.896 2.732 3.657 . 0 0 "[ . 1 .]" 1
87 1 16 PRO QB 1 17 ILE MD 4.000 . 6.000 5.516 4.785 5.693 . 0 0 "[ . 1 .]" 1
88 1 16 PRO QB 1 17 ILE QG 4.000 . 6.000 3.897 3.800 4.479 . 0 0 "[ . 1 .]" 1
89 1 16 PRO QD 1 17 ILE H 4.000 . 6.000 4.974 4.819 4.999 . 0 0 "[ . 1 .]" 1
90 1 16 PRO QG 1 17 ILE H 4.000 . 6.000 4.399 4.300 4.781 . 0 0 "[ . 1 .]" 1
91 1 17 ILE H 1 17 ILE HA 2.500 . 2.700 2.934 2.920 2.982 0.282 14 0 "[ . 1 .]" 1
92 1 17 ILE H 1 17 ILE HB 3.000 . 3.300 3.670 2.562 3.851 0.551 12 12 "[***** **** +* -]" 1
93 1 17 ILE H 1 17 ILE MD 3.000 . 4.300 3.743 2.219 4.001 . 0 0 "[ . 1 .]" 1
94 1 17 ILE H 1 17 ILE QG 3.000 . 4.300 2.303 2.189 2.568 . 0 0 "[ . 1 .]" 1
95 1 17 ILE H 1 17 ILE MG 3.000 . 4.300 3.377 3.241 3.838 . 0 0 "[ . 1 .]" 1
96 1 17 ILE H 1 18 TYR H 4.000 . 5.000 2.927 2.615 3.280 . 0 0 "[ . 1 .]" 1
97 1 17 ILE H 2 17 ILE MD 4.000 . 6.000 3.215 3.151 3.306 . 0 0 "[ . 1 .]" 1
98 1 17 ILE HA 1 17 ILE HB 3.000 . 4.300 2.637 2.551 3.026 . 0 0 "[ . 1 .]" 1
99 1 17 ILE HA 1 17 ILE MD 4.000 . 6.000 4.076 3.750 4.138 . 0 0 "[ . 1 .]" 1
100 1 17 ILE HA 1 18 TYR H 3.000 . 4.300 2.614 2.427 2.770 . 0 0 "[ . 1 .]" 1
101 1 17 ILE HA 2 16 PRO HA 4.000 . 5.000 5.009 4.936 5.053 0.053 10 0 "[ . 1 .]" 1
102 1 17 ILE HA 2 17 ILE MD 4.000 . 6.000 4.860 4.736 4.998 . 0 0 "[ . 1 .]" 1
103 1 17 ILE HA 2 18 TYR HA 4.000 . 5.000 5.074 4.952 5.128 0.128 10 0 "[ . 1 .]" 1
104 1 17 ILE HA 2 18 TYR QD 4.000 . 6.000 4.487 3.877 5.198 . 0 0 "[ . 1 .]" 1
105 1 17 ILE HB 1 18 TYR H 4.000 . 5.000 4.349 4.237 4.411 . 0 0 "[ . 1 .]" 1
106 1 17 ILE MD 1 17 ILE MG 3.000 . 4.300 2.221 2.025 2.893 . 0 0 "[ . 1 .]" 1
107 1 17 ILE MD 1 18 TYR H 3.000 . 4.300 5.343 4.888 5.498 1.198 11 15 [**********+**-*] 1
108 1 17 ILE MD 1 18 TYR QB 4.000 . 6.000 6.146 5.890 6.479 0.479 11 0 "[ . 1 .]" 1
109 1 17 ILE MD 2 16 PRO HA 4.000 . 6.000 3.259 1.953 3.638 . 0 0 "[ . 1 .]" 1
110 1 17 ILE MD 2 17 ILE H 3.000 . 4.300 3.210 3.137 3.320 . 0 0 "[ . 1 .]" 1
111 1 17 ILE MD 2 17 ILE HA 4.000 . 6.000 4.837 4.656 4.982 . 0 0 "[ . 1 .]" 1
112 1 17 ILE MD 2 18 TYR H 3.000 . 4.300 3.262 2.871 3.619 . 0 0 "[ . 1 .]" 1
113 1 17 ILE MD 2 18 TYR HA 4.000 . 6.000 4.177 3.758 4.616 . 0 0 "[ . 1 .]" 1
114 1 17 ILE MD 2 18 TYR QD 4.000 . 6.000 2.398 1.876 3.090 . 0 0 "[ . 1 .]" 1
115 1 17 ILE MD 2 18 TYR QE 4.000 . 6.000 3.637 2.317 4.471 . 0 0 "[ . 1 .]" 1
116 1 17 ILE QG 1 17 ILE MG 3.000 . 4.300 2.138 2.056 2.226 . 0 0 "[ . 1 .]" 1
117 1 17 ILE QG 1 18 TYR H 3.000 . 4.300 3.728 3.644 3.801 . 0 0 "[ . 1 .]" 1
118 1 17 ILE QG 1 18 TYR QD 4.000 . 6.000 5.440 4.972 7.012 1.012 6 2 "[ .+ 1 -.]" 1
119 1 17 ILE MG 1 18 TYR QD 3.000 . 4.300 6.468 5.830 6.776 2.476 9 15 [*****-**+******] 1
120 1 17 ILE MG 1 18 TYR QE 4.000 . 6.000 8.042 7.414 8.443 2.443 9 15 [*****-**+******] 1
121 1 18 TYR H 1 18 TYR HA 3.000 . 3.300 2.918 2.882 2.959 . 0 0 "[ . 1 .]" 1
122 1 18 TYR H 1 18 TYR QB 2.500 . 2.700 2.043 1.926 2.211 . 0 0 "[ . 1 .]" 1
123 1 18 TYR H 1 18 TYR QD 4.000 . 6.000 3.865 3.521 4.116 . 0 0 "[ . 1 .]" 1
124 1 18 TYR H 2 17 ILE MD 4.000 . 6.000 3.295 2.892 3.675 . 0 0 "[ . 1 .]" 1
125 1 18 TYR HA 1 18 TYR QD 2.500 . 3.700 2.492 1.880 3.003 . 0 0 "[ . 1 .]" 1
126 1 18 TYR HA 1 18 TYR QE 4.000 . 6.000 4.240 3.976 4.502 . 0 0 "[ . 1 .]" 1
127 1 18 TYR HA 1 19 LYS H 4.000 . 5.000 2.421 2.212 2.941 . 0 0 "[ . 1 .]" 1
128 1 18 TYR HA 2 17 ILE HA 4.000 . 5.000 5.085 5.010 5.166 0.166 10 0 "[ . 1 .]" 1
129 1 18 TYR HA 2 17 ILE MD 4.000 . 6.000 4.198 3.741 4.676 . 0 0 "[ . 1 .]" 1
130 1 18 TYR HA 2 18 TYR QD 4.000 . 6.000 3.954 3.102 4.289 . 0 0 "[ . 1 .]" 1
131 1 18 TYR HA 2 18 TYR QE 4.000 . 6.000 5.251 4.585 5.391 . 0 0 "[ . 1 .]" 1
132 1 18 TYR QB 1 18 TYR QD 2.500 . 3.700 2.180 2.147 2.258 . 0 0 "[ . 1 .]" 1
133 1 18 TYR QB 1 18 TYR QE 3.000 . 4.300 3.975 3.960 4.000 . 0 0 "[ . 1 .]" 1
134 1 18 TYR QD 1 19 LYS QB 4.000 . 6.000 4.912 4.373 5.537 . 0 0 "[ . 1 .]" 1
135 1 18 TYR QD 1 19 LYS QG 4.000 . 6.000 5.170 4.453 5.738 . 0 0 "[ . 1 .]" 1
136 1 18 TYR QD 2 17 ILE HA 4.000 . 6.000 4.519 3.931 5.195 . 0 0 "[ . 1 .]" 1
137 1 18 TYR QD 2 17 ILE MD 4.000 . 6.000 2.405 1.916 3.118 . 0 0 "[ . 1 .]" 1
138 1 18 TYR QD 2 18 TYR HA 4.000 . 6.000 3.959 3.099 4.285 . 0 0 "[ . 1 .]" 1
139 1 18 TYR QD 2 20 LYS HA 4.000 . 6.000 3.400 2.496 4.306 . 0 0 "[ . 1 .]" 1
140 1 18 TYR QD 2 20 LYS QB 4.000 . 6.000 2.851 1.784 4.633 0.016 13 0 "[ . 1 .]" 1
141 1 18 TYR QD 2 20 LYS QD 4.000 . 6.000 3.020 1.888 4.396 . 0 0 "[ . 1 .]" 1
142 1 18 TYR QD 2 20 LYS QG 4.000 . 6.000 2.962 1.960 3.943 . 0 0 "[ . 1 .]" 1
143 1 18 TYR QE 1 19 LYS QB 4.000 . 6.000 6.632 6.068 6.940 0.940 14 12 "[*** -*** ****+.]" 1
144 1 18 TYR QE 1 19 LYS QG 4.000 . 6.000 6.824 6.018 7.460 1.460 6 11 "[ ***.+ **1*-***]" 1
145 1 18 TYR QE 2 17 ILE MD 4.000 . 6.000 3.633 2.326 4.470 . 0 0 "[ . 1 .]" 1
146 1 18 TYR QE 2 18 TYR HA 4.000 . 6.000 5.256 4.569 5.387 . 0 0 "[ . 1 .]" 1
147 1 18 TYR QE 2 20 LYS HA 4.000 . 6.000 2.532 1.835 4.113 . 0 0 "[ . 1 .]" 1
148 1 18 TYR QE 2 20 LYS QB 4.000 . 6.000 3.468 2.090 4.338 . 0 0 "[ . 1 .]" 1
149 1 18 TYR QE 2 20 LYS QD 4.000 . 6.000 3.743 2.417 4.645 . 0 0 "[ . 1 .]" 1
150 1 18 TYR QE 2 20 LYS QG 4.000 . 6.000 3.061 1.915 4.732 . 0 0 "[ . 1 .]" 1
151 1 19 LYS H 1 19 LYS HA 3.000 . 3.300 2.758 2.354 2.962 . 0 0 "[ . 1 .]" 1
152 1 19 LYS H 1 20 LYS H 4.000 . 5.000 2.715 1.852 4.087 . 0 0 "[ . 1 .]" 1
153 1 19 LYS HA 1 19 LYS QG 3.000 . 4.300 2.190 1.923 3.308 . 0 0 "[ . 1 .]" 1
154 1 19 LYS HA 1 20 LYS H 4.000 . 5.000 2.688 2.216 3.179 . 0 0 "[ . 1 .]" 1
155 1 19 LYS HA 2 20 LYS HA 4.000 . 5.000 4.982 4.905 5.047 0.047 10 0 "[ . 1 .]" 1
156 1 19 LYS QB 1 20 LYS H 3.000 . 4.300 3.803 3.369 4.037 . 0 0 "[ . 1 .]" 1
157 1 19 LYS QD 1 20 LYS H 4.000 . 6.000 5.365 3.540 5.812 . 0 0 "[ . 1 .]" 1
158 1 19 LYS QG 1 20 LYS H 4.000 . 6.000 4.110 3.334 4.628 . 0 0 "[ . 1 .]" 1
159 1 20 LYS H 1 20 LYS HA 3.000 . 3.300 2.902 2.805 3.001 . 0 0 "[ . 1 .]" 1
160 1 20 LYS H 1 20 LYS QB 2.500 . 3.700 2.293 1.951 2.900 . 0 0 "[ . 1 .]" 1
161 1 20 LYS H 1 20 LYS QG 4.000 . 6.000 3.892 3.103 4.221 . 0 0 "[ . 1 .]" 1
162 1 20 LYS H 1 21 ALA H 4.000 . 5.000 4.303 2.476 4.700 . 0 0 "[ . 1 .]" 1
163 1 20 LYS HA 1 21 ALA H 2.500 . 2.700 2.493 2.233 2.738 0.038 11 0 "[ . 1 .]" 1
164 1 20 LYS HA 1 21 ALA MB 3.000 . 4.300 3.922 3.681 4.277 . 0 0 "[ . 1 .]" 1
165 1 20 LYS HA 2 18 TYR QD 4.000 . 6.000 3.393 2.451 4.313 . 0 0 "[ . 1 .]" 1
166 1 20 LYS HA 2 18 TYR QE 4.000 . 6.000 2.528 1.852 4.112 . 0 0 "[ . 1 .]" 1
167 1 20 LYS HA 2 19 LYS HA 4.000 . 5.000 4.963 4.781 5.064 0.064 11 0 "[ . 1 .]" 1
168 1 20 LYS QB 1 21 ALA H 4.000 . 6.000 3.239 2.088 4.060 . 0 0 "[ . 1 .]" 1
169 1 20 LYS QB 2 18 TYR QD 4.000 . 6.000 2.870 1.789 4.664 0.011 13 0 "[ . 1 .]" 1
170 1 20 LYS QB 2 18 TYR QE 4.000 . 6.000 3.486 2.053 4.378 . 0 0 "[ . 1 .]" 1
171 1 20 LYS QD 1 21 ALA H 4.000 . 6.000 3.782 1.863 5.699 . 0 0 "[ . 1 .]" 1
172 1 20 LYS QD 2 18 TYR QD 4.000 . 6.000 3.046 1.889 4.497 . 0 0 "[ . 1 .]" 1
173 1 20 LYS QD 2 18 TYR QE 4.000 . 6.000 3.778 2.586 4.605 . 0 0 "[ . 1 .]" 1
174 1 20 LYS QG 2 18 TYR QD 4.000 . 6.000 2.988 1.960 3.960 . 0 0 "[ . 1 .]" 1
175 1 20 LYS QG 2 18 TYR QE 4.000 . 6.000 3.090 1.917 4.716 . 0 0 "[ . 1 .]" 1
176 1 21 ALA H 1 21 ALA HA 3.000 . 3.300 2.951 2.889 3.002 . 0 0 "[ . 1 .]" 1
177 1 21 ALA H 1 21 ALA MB 3.000 . 3.300 2.477 1.962 2.748 . 0 0 "[ . 1 .]" 1
178 1 21 ALA HA 1 22 PRO QD 2.500 . 3.700 2.160 1.968 2.435 . 0 0 "[ . 1 .]" 1
179 1 21 ALA MB 1 22 PRO QD 3.000 . 4.300 3.158 1.884 3.536 . 0 0 "[ . 1 .]" 1
180 1 22 PRO HA 1 23 THR H 3.000 . 3.300 2.812 2.222 3.478 0.178 9 0 "[ . 1 .]" 1
181 1 22 PRO QB 1 23 THR H 4.000 . 6.000 3.082 1.873 3.991 . 0 0 "[ . 1 .]" 1
182 1 22 PRO QD 1 23 THR H 4.000 . 6.000 4.068 2.606 4.969 . 0 0 "[ . 1 .]" 1
183 1 23 THR H 1 23 THR HA 3.000 . 3.300 2.832 2.364 3.002 . 0 0 "[ . 1 .]" 1
184 1 23 THR HA 1 23 THR HG1 3.000 . 4.300 2.279 2.016 2.942 . 0 0 "[ . 1 .]" 1
185 1 23 THR HA 1 24 ASN H 3.000 . 3.300 2.743 2.244 3.557 0.257 12 0 "[ . 1 .]" 1
186 1 23 THR HA 2 24 ASN HA 4.000 . 5.000 4.714 3.351 4.993 . 0 0 "[ . 1 .]" 1
187 1 23 THR HG1 1 24 ASN H 4.000 . 6.000 3.019 1.866 4.049 . 0 0 "[ . 1 .]" 1
188 1 24 ASN H 1 24 ASN QB 2.500 . 2.700 2.460 2.167 2.778 0.078 10 0 "[ . 1 .]" 1
189 1 24 ASN H 1 25 GLU H 4.000 . 5.000 3.070 2.001 4.677 . 0 0 "[ . 1 .]" 1
190 1 24 ASN H 1 25 GLU QB 3.000 . 4.300 4.233 3.326 5.867 1.567 9 1 "[ . +1 .]" 1
191 1 24 ASN HA 1 24 ASN QB 2.500 . 3.700 2.419 2.206 2.532 . 0 0 "[ . 1 .]" 1
192 1 24 ASN HA 1 25 GLU H 4.000 . 5.000 2.951 2.228 3.587 . 0 0 "[ . 1 .]" 1
193 1 24 ASN HA 2 23 THR HA 4.000 . 5.000 4.720 3.452 5.004 0.004 13 0 "[ . 1 .]" 1
194 1 24 ASN QB 1 25 GLU H 4.000 . 6.000 3.283 2.294 4.048 . 0 0 "[ . 1 .]" 1
195 1 25 GLU H 1 25 GLU HA 3.000 . 3.300 2.978 2.934 3.002 . 0 0 "[ . 1 .]" 1
196 1 25 GLU H 1 25 GLU QG 4.000 . 6.000 3.617 1.996 4.168 . 0 0 "[ . 1 .]" 1
197 1 25 GLU H 1 26 PHE H 4.000 . 5.000 4.260 2.786 4.630 . 0 0 "[ . 1 .]" 1
198 1 25 GLU HA 1 25 GLU QG 3.000 . 4.300 2.299 1.941 3.307 . 0 0 "[ . 1 .]" 1
199 1 25 GLU HA 1 26 PHE H 3.000 . 3.300 2.422 2.211 3.522 0.222 15 0 "[ . 1 .]" 1
200 1 25 GLU QB 1 26 PHE H 4.000 . 6.000 3.275 1.824 4.063 . 0 0 "[ . 1 .]" 1
201 1 26 PHE H 1 26 PHE QB 2.500 . 3.700 2.350 2.043 2.797 . 0 0 "[ . 1 .]" 1
202 1 26 PHE H 1 26 PHE QD 4.000 . 6.000 3.802 2.248 4.318 . 0 0 "[ . 1 .]" 1
203 1 26 PHE H 1 27 TYR H 4.000 . 5.000 3.745 2.112 4.618 . 0 0 "[ . 1 .]" 1
204 1 26 PHE HA 1 26 PHE QD 4.000 . 6.000 2.659 2.159 2.986 . 0 0 "[ . 1 .]" 1
205 1 26 PHE HA 1 27 TYR H 4.000 . 5.000 2.674 2.209 3.591 . 0 0 "[ . 1 .]" 1
206 1 26 PHE QB 1 26 PHE QE 3.000 . 4.300 3.969 3.964 3.978 . 0 0 "[ . 1 .]" 1
207 1 27 TYR H 1 27 TYR HA 3.000 . 3.300 2.983 2.950 3.003 . 0 0 "[ . 1 .]" 1
208 1 27 TYR H 1 27 TYR QB 3.000 . 4.300 2.451 2.193 3.163 . 0 0 "[ . 1 .]" 1
209 1 27 TYR H 1 27 TYR QD 4.000 . 6.000 3.990 3.008 4.437 . 0 0 "[ . 1 .]" 1
210 1 27 TYR H 1 28 ALA H 4.000 . 5.000 4.104 3.003 4.489 . 0 0 "[ . 1 .]" 1
211 1 27 TYR HA 1 28 ALA H 2.500 . 2.700 2.368 2.210 2.711 0.011 13 0 "[ . 1 .]" 1
212 1 27 TYR QB 1 28 ALA H 3.000 . 4.300 3.575 2.068 4.045 . 0 0 "[ . 1 .]" 1
213 1 28 ALA H 1 28 ALA MB 3.000 . 4.300 2.310 1.996 2.781 . 0 0 "[ . 1 .]" 1
214 2 1 ARG HA 2 1 ARG QD 3.000 . 4.300 3.765 2.115 4.289 . 0 0 "[ . 1 .]" 1
215 2 5 LYS H 2 5 LYS HA 3.000 . 3.300 2.914 2.366 3.003 . 0 0 "[ . 1 .]" 1
216 2 5 LYS H 2 5 LYS QG 4.000 . 6.000 3.859 3.200 4.247 . 0 0 "[ . 1 .]" 1
217 2 5 LYS H 2 6 ASP H 4.000 . 5.000 3.656 2.690 4.493 . 0 0 "[ . 1 .]" 1
218 2 5 LYS HA 2 6 ASP H 4.000 . 5.000 2.675 2.212 3.592 . 0 0 "[ . 1 .]" 1
219 2 5 LYS QB 2 6 ASP H 4.000 . 6.000 3.255 2.024 4.033 . 0 0 "[ . 1 .]" 1
220 2 5 LYS QD 2 6 ASP H 4.000 . 6.000 4.770 2.723 5.920 . 0 0 "[ . 1 .]" 1
221 2 5 LYS QG 2 6 ASP H 3.000 . 4.300 3.608 2.456 4.239 . 0 0 "[ . 1 .]" 1
222 2 6 ASP H 2 6 ASP QB 3.000 . 4.300 2.483 1.922 3.001 . 0 0 "[ . 1 .]" 1
223 2 6 ASP HA 2 6 ASP QB 2.500 . 3.700 2.406 2.205 2.548 . 0 0 "[ . 1 .]" 1
224 2 6 ASP HA 2 7 GLU H 4.000 . 5.000 2.640 2.213 3.585 . 0 0 "[ . 1 .]" 1
225 2 6 ASP QB 2 7 GLU H 4.000 . 6.000 3.414 1.958 4.067 . 0 0 "[ . 1 .]" 1
226 2 7 GLU H 2 7 GLU HA 3.000 . 3.300 2.978 2.891 3.003 . 0 0 "[ . 1 .]" 1
227 2 7 GLU H 2 7 GLU QB 3.000 . 4.300 2.349 2.072 3.121 . 0 0 "[ . 1 .]" 1
228 2 7 GLU H 2 8 GLY H 4.000 . 5.000 4.078 2.387 4.588 . 0 0 "[ . 1 .]" 1
229 2 7 GLU HA 2 7 GLU QG 3.000 . 4.300 2.257 2.006 3.343 . 0 0 "[ . 1 .]" 1
230 2 7 GLU HA 2 8 GLY H 3.000 . 3.300 2.479 2.216 3.493 0.193 12 0 "[ . 1 .]" 1
231 2 7 GLU QB 2 8 GLY H 4.000 . 6.000 3.342 1.887 3.986 . 0 0 "[ . 1 .]" 1
232 2 8 GLY H 2 8 GLY QA 2.500 . 3.700 2.379 2.262 2.522 . 0 0 "[ . 1 .]" 1
233 2 8 GLY QA 2 9 SER H 4.000 . 6.000 2.326 2.157 2.799 . 0 0 "[ . 1 .]" 1
234 2 9 SER H 2 10 TYR H 4.000 . 5.000 3.706 2.264 4.654 . 0 0 "[ . 1 .]" 1
235 2 9 SER HA 2 9 SER QB 2.500 . 3.700 2.369 2.182 2.544 . 0 0 "[ . 1 .]" 1
236 2 9 SER HA 2 10 TYR H 4.000 . 5.000 2.783 2.208 3.592 . 0 0 "[ . 1 .]" 1
237 2 9 SER QB 2 10 TYR HA 3.000 . 4.300 4.260 3.868 4.653 0.353 6 0 "[ . 1 .]" 1
238 2 10 TYR H 2 10 TYR QB 2.500 . 3.700 2.637 2.170 3.214 . 0 0 "[ . 1 .]" 1
239 2 10 TYR H 2 11 ASP H 4.000 . 5.000 3.488 1.889 4.704 . 0 0 "[ . 1 .]" 1
240 2 10 TYR HA 2 10 TYR QD 3.000 . 4.300 2.793 2.030 3.709 . 0 0 "[ . 1 .]" 1
241 2 10 TYR HA 2 11 ASP H 4.000 . 5.000 3.051 2.225 3.595 . 0 0 "[ . 1 .]" 1
242 2 10 TYR QB 2 10 TYR QD 2.500 . 3.700 2.159 2.149 2.197 . 0 0 "[ . 1 .]" 1
243 2 10 TYR QB 2 10 TYR QE 3.000 . 4.300 3.969 3.963 3.985 . 0 0 "[ . 1 .]" 1
244 2 10 TYR QB 2 11 ASP H 3.000 . 4.300 2.526 1.878 3.944 . 0 0 "[ . 1 .]" 1
245 2 10 TYR QD 2 11 ASP H 3.000 . 4.300 3.886 2.756 4.751 0.451 4 0 "[ . 1 .]" 1
246 2 11 ASP H 2 11 ASP HA 3.000 . 3.300 2.963 2.910 3.002 . 0 0 "[ . 1 .]" 1
247 2 11 ASP H 2 11 ASP QB 3.000 . 4.300 2.574 2.003 2.827 . 0 0 "[ . 1 .]" 1
248 2 11 ASP H 2 12 LEU H 4.000 . 5.000 3.031 2.030 4.344 . 0 0 "[ . 1 .]" 1
249 2 11 ASP HA 2 12 LEU H 2.500 . 2.700 2.659 2.350 2.990 0.290 14 0 "[ . 1 .]" 1
250 2 11 ASP HA 2 12 LEU QD 4.000 . 6.000 4.971 3.831 5.473 . 0 0 "[ . 1 .]" 1
251 2 11 ASP QB 2 12 LEU H 3.000 . 4.300 3.884 3.469 4.025 . 0 0 "[ . 1 .]" 1
252 2 12 LEU H 2 12 LEU HA 2.500 . 2.700 2.917 2.881 2.971 0.271 14 0 "[ . 1 .]" 1
253 2 12 LEU H 2 12 LEU QB 2.500 . 2.700 2.625 1.996 2.931 0.231 14 0 "[ . 1 .]" 1
254 2 12 LEU H 2 12 LEU QD 4.000 . 6.000 3.321 1.967 3.908 . 0 0 "[ . 1 .]" 1
255 2 12 LEU H 2 13 GLY H 4.000 . 5.000 3.829 2.657 4.389 . 0 0 "[ . 1 .]" 1
256 2 12 LEU HA 2 12 LEU QD 4.000 . 6.000 2.684 1.814 3.413 . 0 0 "[ . 1 .]" 1
257 2 12 LEU HA 2 12 LEU HG 4.000 . 6.000 2.855 2.244 3.612 . 0 0 "[ . 1 .]" 1
258 2 12 LEU HA 2 13 GLY H 3.000 . 3.300 2.476 2.211 3.267 . 0 0 "[ . 1 .]" 1
259 2 12 LEU QB 2 13 GLY H 4.000 . 6.000 3.756 3.051 3.968 . 0 0 "[ . 1 .]" 1
260 2 13 GLY H 2 13 GLY QA 2.500 . 3.700 2.433 2.253 2.527 . 0 0 "[ . 1 .]" 1
261 2 13 GLY H 2 14 LYS H 4.000 . 5.000 2.311 2.098 2.642 . 0 0 "[ . 1 .]" 1
262 2 13 GLY H 2 14 LYS QG 4.000 . 6.000 4.991 3.522 6.020 0.020 5 0 "[ . 1 .]" 1
263 2 13 GLY QA 2 14 LYS H 2.500 . 3.700 2.711 2.434 2.929 . 0 0 "[ . 1 .]" 1
264 2 14 LYS H 2 14 LYS QB 3.000 . 4.300 2.153 1.946 2.423 . 0 0 "[ . 1 .]" 1
265 2 14 LYS H 2 14 LYS QG 4.000 . 6.000 3.181 2.121 3.978 . 0 0 "[ . 1 .]" 1
266 2 14 LYS H 2 15 LYS H 4.000 . 5.000 4.617 4.552 4.671 . 0 0 "[ . 1 .]" 1
267 2 14 LYS HA 2 15 LYS H 3.000 . 4.300 2.391 2.291 2.532 . 0 0 "[ . 1 .]" 1
268 2 14 LYS QB 2 15 LYS H 4.000 . 6.000 2.825 2.425 3.190 . 0 0 "[ . 1 .]" 1
269 2 14 LYS QD 2 15 LYS H 4.000 . 6.000 4.610 4.001 5.127 . 0 0 "[ . 1 .]" 1
270 2 15 LYS H 2 15 LYS QB 2.500 . 3.700 2.657 2.342 3.084 . 0 0 "[ . 1 .]" 1
271 2 15 LYS H 2 15 LYS QD 4.000 . 6.000 4.247 2.478 5.190 . 0 0 "[ . 1 .]" 1
272 2 15 LYS H 2 15 LYS QG 2.500 . 3.700 3.006 1.855 3.868 0.168 5 0 "[ . 1 .]" 1
273 2 15 LYS HA 2 15 LYS QD 3.000 . 4.300 3.876 3.264 4.312 0.012 8 0 "[ . 1 .]" 1
274 2 15 LYS HA 2 15 LYS QG 3.000 . 4.300 2.464 1.949 3.302 . 0 0 "[ . 1 .]" 1
275 2 15 LYS HA 2 16 PRO QD 2.500 . 3.700 2.046 1.983 2.129 . 0 0 "[ . 1 .]" 1
276 2 15 LYS QB 2 16 PRO QD 3.000 . 4.300 2.308 1.971 2.717 . 0 0 "[ . 1 .]" 1
277 2 15 LYS QG 2 16 PRO QD 3.000 . 4.300 3.027 1.963 3.844 . 0 0 "[ . 1 .]" 1
278 2 16 PRO HA 2 16 PRO QG 3.000 . 4.300 3.514 3.512 3.518 . 0 0 "[ . 1 .]" 1
279 2 16 PRO HA 2 17 ILE H 2.500 . 2.700 2.359 2.237 2.403 . 0 0 "[ . 1 .]" 1
280 2 16 PRO HA 2 17 ILE MD 3.000 . 4.300 4.521 3.456 4.797 0.497 7 0 "[ . 1 .]" 1
281 2 16 PRO QB 2 16 PRO QD 3.000 . 4.300 2.832 2.815 2.843 . 0 0 "[ . 1 .]" 1
282 2 16 PRO QB 2 17 ILE H 3.000 . 4.300 2.898 2.737 3.660 . 0 0 "[ . 1 .]" 1
283 2 16 PRO QB 2 17 ILE MD 4.000 . 6.000 5.515 4.787 5.697 . 0 0 "[ . 1 .]" 1
284 2 16 PRO QB 2 17 ILE QG 4.000 . 6.000 3.896 3.799 4.479 . 0 0 "[ . 1 .]" 1
285 2 16 PRO QD 2 17 ILE H 4.000 . 6.000 4.974 4.809 5.002 . 0 0 "[ . 1 .]" 1
286 2 16 PRO QG 2 17 ILE H 4.000 . 6.000 4.401 4.305 4.781 . 0 0 "[ . 1 .]" 1
287 2 17 ILE H 2 17 ILE HA 2.500 . 2.700 2.934 2.921 2.982 0.282 14 0 "[ . 1 .]" 1
288 2 17 ILE H 2 17 ILE HB 3.000 . 3.300 3.668 2.562 3.849 0.549 8 12 "[***** *+** ** -]" 1
289 2 17 ILE H 2 17 ILE MD 3.000 . 4.300 3.741 2.226 4.001 . 0 0 "[ . 1 .]" 1
290 2 17 ILE H 2 17 ILE QG 3.000 . 4.300 2.300 2.206 2.567 . 0 0 "[ . 1 .]" 1
291 2 17 ILE H 2 17 ILE MG 3.000 . 4.300 3.375 3.223 3.834 . 0 0 "[ . 1 .]" 1
292 2 17 ILE H 2 18 TYR H 4.000 . 5.000 2.929 2.620 3.269 . 0 0 "[ . 1 .]" 1
293 2 17 ILE HA 2 17 ILE HB 3.000 . 4.300 2.637 2.552 3.026 . 0 0 "[ . 1 .]" 1
294 2 17 ILE HA 2 17 ILE MD 4.000 . 6.000 4.076 3.752 4.137 . 0 0 "[ . 1 .]" 1
295 2 17 ILE HA 2 18 TYR H 3.000 . 4.300 2.613 2.423 2.764 . 0 0 "[ . 1 .]" 1
296 2 17 ILE HB 2 18 TYR H 4.000 . 5.000 4.349 4.238 4.409 . 0 0 "[ . 1 .]" 1
297 2 17 ILE MD 2 17 ILE MG 3.000 . 4.300 2.219 2.029 2.881 . 0 0 "[ . 1 .]" 1
298 2 17 ILE MD 2 18 TYR H 3.000 . 4.300 5.345 4.895 5.493 1.193 11 15 [**********+**-*] 1
299 2 17 ILE MD 2 18 TYR QB 4.000 . 6.000 6.148 5.891 6.470 0.470 11 0 "[ . 1 .]" 1
300 2 17 ILE QG 2 17 ILE MG 3.000 . 4.300 2.138 2.056 2.222 . 0 0 "[ . 1 .]" 1
301 2 17 ILE QG 2 18 TYR H 3.000 . 4.300 3.729 3.646 3.799 . 0 0 "[ . 1 .]" 1
302 2 17 ILE QG 2 18 TYR QD 4.000 . 6.000 5.441 4.964 7.010 1.010 6 2 "[ .+ 1 -.]" 1
303 2 17 ILE MG 2 18 TYR QD 3.000 . 4.300 6.469 5.834 6.778 2.478 9 15 [*****-**+******] 1
304 2 17 ILE MG 2 18 TYR QE 4.000 . 6.000 8.043 7.416 8.445 2.445 12 15 [*****-*****+***] 1
305 2 18 TYR H 2 18 TYR HA 3.000 . 3.300 2.919 2.879 2.959 . 0 0 "[ . 1 .]" 1
306 2 18 TYR H 2 18 TYR QB 2.500 . 2.700 2.044 1.925 2.211 . 0 0 "[ . 1 .]" 1
307 2 18 TYR H 2 18 TYR QD 4.000 . 6.000 3.867 3.517 4.124 . 0 0 "[ . 1 .]" 1
308 2 18 TYR HA 2 18 TYR QD 2.500 . 3.700 2.497 1.877 3.020 . 0 0 "[ . 1 .]" 1
309 2 18 TYR HA 2 18 TYR QE 4.000 . 6.000 4.243 3.969 4.510 . 0 0 "[ . 1 .]" 1
310 2 18 TYR HA 2 19 LYS H 4.000 . 5.000 2.416 2.195 2.931 . 0 0 "[ . 1 .]" 1
311 2 18 TYR QB 2 18 TYR QD 2.500 . 3.700 2.180 2.148 2.259 . 0 0 "[ . 1 .]" 1
312 2 18 TYR QB 2 18 TYR QE 3.000 . 4.300 3.975 3.960 4.001 . 0 0 "[ . 1 .]" 1
313 2 18 TYR QD 2 19 LYS QB 4.000 . 6.000 4.911 4.370 5.535 . 0 0 "[ . 1 .]" 1
314 2 18 TYR QD 2 19 LYS QG 4.000 . 6.000 5.170 4.453 5.740 . 0 0 "[ . 1 .]" 1
315 2 18 TYR QE 2 19 LYS QB 4.000 . 6.000 6.632 6.074 6.945 0.945 14 12 "[*** -*** ****+.]" 1
316 2 18 TYR QE 2 19 LYS QG 4.000 . 6.000 6.826 6.023 7.465 1.465 6 11 "[ ***.+ **1*-***]" 1
317 2 19 LYS H 2 19 LYS HA 3.000 . 3.300 2.759 2.353 2.961 . 0 0 "[ . 1 .]" 1
318 2 19 LYS H 2 20 LYS H 4.000 . 5.000 2.711 1.852 4.079 . 0 0 "[ . 1 .]" 1
319 2 19 LYS HA 2 19 LYS QG 3.000 . 4.300 2.191 1.918 3.307 . 0 0 "[ . 1 .]" 1
320 2 19 LYS HA 2 20 LYS H 4.000 . 5.000 2.691 2.215 3.186 . 0 0 "[ . 1 .]" 1
321 2 19 LYS QB 2 20 LYS H 3.000 . 4.300 3.803 3.380 4.035 . 0 0 "[ . 1 .]" 1
322 2 19 LYS QD 2 20 LYS H 4.000 . 6.000 5.366 3.546 5.814 . 0 0 "[ . 1 .]" 1
323 2 19 LYS QG 2 20 LYS H 4.000 . 6.000 4.111 3.347 4.628 . 0 0 "[ . 1 .]" 1
324 2 20 LYS H 2 20 LYS HA 3.000 . 3.300 2.901 2.803 3.002 . 0 0 "[ . 1 .]" 1
325 2 20 LYS H 2 20 LYS QB 2.500 . 3.700 2.293 1.949 2.898 . 0 0 "[ . 1 .]" 1
326 2 20 LYS H 2 20 LYS QG 4.000 . 6.000 3.892 3.095 4.228 . 0 0 "[ . 1 .]" 1
327 2 20 LYS H 2 21 ALA H 4.000 . 5.000 4.302 2.458 4.701 . 0 0 "[ . 1 .]" 1
328 2 20 LYS HA 2 21 ALA H 2.500 . 2.700 2.493 2.235 2.737 0.037 11 0 "[ . 1 .]" 1
329 2 20 LYS HA 2 21 ALA MB 3.000 . 4.300 3.924 3.681 4.280 . 0 0 "[ . 1 .]" 1
330 2 20 LYS QB 2 21 ALA H 4.000 . 6.000 3.238 2.086 4.057 . 0 0 "[ . 1 .]" 1
331 2 20 LYS QD 2 21 ALA H 4.000 . 6.000 3.781 1.864 5.700 . 0 0 "[ . 1 .]" 1
332 2 21 ALA H 2 21 ALA HA 3.000 . 3.300 2.951 2.888 3.002 . 0 0 "[ . 1 .]" 1
333 2 21 ALA H 2 21 ALA MB 3.000 . 3.300 2.477 1.962 2.745 . 0 0 "[ . 1 .]" 1
334 2 21 ALA HA 2 22 PRO QD 2.500 . 3.700 2.159 1.967 2.434 . 0 0 "[ . 1 .]" 1
335 2 21 ALA MB 2 22 PRO QD 3.000 . 4.300 3.158 1.887 3.536 . 0 0 "[ . 1 .]" 1
336 2 22 PRO HA 2 23 THR H 3.000 . 3.300 2.812 2.223 3.480 0.180 9 0 "[ . 1 .]" 1
337 2 22 PRO QB 2 23 THR H 4.000 . 6.000 3.082 1.875 3.991 . 0 0 "[ . 1 .]" 1
338 2 22 PRO QD 2 23 THR H 4.000 . 6.000 4.069 2.604 4.969 . 0 0 "[ . 1 .]" 1
339 2 23 THR H 2 23 THR HA 3.000 . 3.300 2.831 2.364 3.002 . 0 0 "[ . 1 .]" 1
340 2 23 THR HA 2 23 THR HG1 3.000 . 4.300 2.280 2.016 2.942 . 0 0 "[ . 1 .]" 1
341 2 23 THR HA 2 24 ASN H 3.000 . 3.300 2.744 2.244 3.560 0.260 12 0 "[ . 1 .]" 1
342 2 23 THR HG1 2 24 ASN H 4.000 . 6.000 3.020 1.866 4.047 . 0 0 "[ . 1 .]" 1
343 2 24 ASN H 2 24 ASN QB 2.500 . 2.700 2.460 2.167 2.776 0.076 10 0 "[ . 1 .]" 1
344 2 24 ASN H 2 25 GLU H 4.000 . 5.000 3.070 2.001 4.677 . 0 0 "[ . 1 .]" 1
345 2 24 ASN H 2 25 GLU QB 3.000 . 4.300 4.234 3.326 5.867 1.567 9 1 "[ . +1 .]" 1
346 2 24 ASN HA 2 24 ASN QB 2.500 . 3.700 2.419 2.205 2.531 . 0 0 "[ . 1 .]" 1
347 2 24 ASN HA 2 25 GLU H 4.000 . 5.000 2.951 2.229 3.586 . 0 0 "[ . 1 .]" 1
348 2 24 ASN QB 2 25 GLU H 4.000 . 6.000 3.283 2.295 4.047 . 0 0 "[ . 1 .]" 1
349 2 25 GLU H 2 25 GLU HA 3.000 . 3.300 2.978 2.934 3.002 . 0 0 "[ . 1 .]" 1
350 2 25 GLU H 2 25 GLU QG 4.000 . 6.000 3.617 1.997 4.166 . 0 0 "[ . 1 .]" 1
351 2 25 GLU H 2 26 PHE H 4.000 . 5.000 4.261 2.787 4.634 . 0 0 "[ . 1 .]" 1
352 2 25 GLU HA 2 25 GLU QG 3.000 . 4.300 2.299 1.938 3.308 . 0 0 "[ . 1 .]" 1
353 2 25 GLU HA 2 26 PHE H 3.000 . 3.300 2.422 2.211 3.522 0.222 15 0 "[ . 1 .]" 1
354 2 25 GLU QB 2 26 PHE H 4.000 . 6.000 3.275 1.823 4.066 . 0 0 "[ . 1 .]" 1
355 2 26 PHE H 2 26 PHE QB 2.500 . 3.700 2.350 2.043 2.798 . 0 0 "[ . 1 .]" 1
356 2 26 PHE H 2 26 PHE QD 4.000 . 6.000 3.802 2.244 4.317 . 0 0 "[ . 1 .]" 1
357 2 26 PHE H 2 27 TYR H 4.000 . 5.000 3.745 2.111 4.618 . 0 0 "[ . 1 .]" 1
358 2 26 PHE HA 2 26 PHE QD 4.000 . 6.000 2.659 2.158 2.986 . 0 0 "[ . 1 .]" 1
359 2 26 PHE HA 2 27 TYR H 4.000 . 5.000 2.673 2.208 3.591 . 0 0 "[ . 1 .]" 1
360 2 26 PHE QB 2 26 PHE QE 3.000 . 4.300 3.969 3.964 3.978 . 0 0 "[ . 1 .]" 1
361 2 27 TYR H 2 27 TYR HA 3.000 . 3.300 2.983 2.951 3.003 . 0 0 "[ . 1 .]" 1
362 2 27 TYR H 2 27 TYR QB 3.000 . 4.300 2.451 2.197 3.163 . 0 0 "[ . 1 .]" 1
363 2 27 TYR H 2 27 TYR QD 4.000 . 6.000 3.990 3.007 4.437 . 0 0 "[ . 1 .]" 1
364 2 27 TYR H 2 28 ALA H 4.000 . 5.000 4.104 3.002 4.487 . 0 0 "[ . 1 .]" 1
365 2 27 TYR HA 2 28 ALA H 2.500 . 2.700 2.368 2.211 2.712 0.012 13 0 "[ . 1 .]" 1
366 2 27 TYR QB 2 28 ALA H 3.000 . 4.300 3.574 2.066 4.045 . 0 0 "[ . 1 .]" 1
367 2 28 ALA H 2 28 ALA MB 3.000 . 4.300 2.310 1.994 2.780 . 0 0 "[ . 1 .]" 1
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