NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472706 |
1ejp   |
4591 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ejp
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 374
_Distance_constraint_stats_list.Viol_count 536
_Distance_constraint_stats_list.Viol_total 1663.117
_Distance_constraint_stats_list.Viol_max 1.579
_Distance_constraint_stats_list.Viol_rms 0.1072
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0174
_Distance_constraint_stats_list.Viol_average_violations_only 0.1939
_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 2 MET 0.000 0.000 . 0 "[ . 1 . ]"
1 3 LYS 0.000 0.000 . 0 "[ . 1 . ]"
1 4 LYS 0.025 0.012 1 0 "[ . 1 . ]"
1 5 LYS 0.025 0.012 1 0 "[ . 1 . ]"
1 6 ASP 0.005 0.005 14 0 "[ . 1 . ]"
1 7 GLU 0.052 0.037 1 0 "[ . 1 . ]"
1 8 GLY 0.523 0.245 1 0 "[ . 1 . ]"
1 9 SER 4.357 0.249 14 0 "[ . 1 . ]"
1 10 TYR 0.938 0.249 14 0 "[ . 1 . ]"
1 11 ASP 3.427 0.216 2 0 "[ . 1 . ]"
1 12 LEU 0.804 0.149 13 0 "[ . 1 . ]"
1 13 GLY 0.163 0.086 4 0 "[ . 1 . ]"
1 14 LYS 10.748 1.098 5 2 "[ - + 1 . ]"
1 15 LYS 7.631 1.098 5 2 "[ - + 1 . ]"
1 16 PRO 0.401 0.072 6 0 "[ . 1 . ]"
1 17 ILE 8.117 0.456 5 0 "[ . 1 . ]"
1 18 TYR 3.365 0.456 5 0 "[ . 1 . ]"
1 19 LYS 0.141 0.018 1 0 "[ . 1 . ]"
1 20 LYS 21.933 1.579 2 15 [*+**.**-********]
1 21 ALA 0.072 0.051 13 0 "[ . 1 . ]"
1 22 PRO 0.046 0.038 1 0 "[ . 1 . ]"
1 23 THR 1.616 0.209 1 0 "[ . 1 . ]"
1 24 ASN 0.037 0.033 9 0 "[ . 1 . ]"
1 25 GLU 0.204 0.166 16 0 "[ . 1 . ]"
1 26 PHE 0.277 0.166 16 0 "[ . 1 . ]"
1 27 TYR 0.110 0.110 1 0 "[ . 1 . ]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . ]"
2 1 ARG 0.000 0.000 . 0 "[ . 1 . ]"
2 2 MET 0.000 0.000 . 0 "[ . 1 . ]"
2 3 LYS 0.000 0.000 . 0 "[ . 1 . ]"
2 4 LYS 0.023 0.012 1 0 "[ . 1 . ]"
2 5 LYS 0.023 0.012 1 0 "[ . 1 . ]"
2 6 ASP 0.006 0.006 14 0 "[ . 1 . ]"
2 7 GLU 0.051 0.037 1 0 "[ . 1 . ]"
2 8 GLY 0.522 0.245 1 0 "[ . 1 . ]"
2 9 SER 4.357 0.250 14 0 "[ . 1 . ]"
2 10 TYR 0.940 0.250 14 0 "[ . 1 . ]"
2 11 ASP 3.426 0.215 2 0 "[ . 1 . ]"
2 12 LEU 0.800 0.150 13 0 "[ . 1 . ]"
2 13 GLY 0.164 0.087 4 0 "[ . 1 . ]"
2 14 LYS 10.758 1.098 5 2 "[ - + 1 . ]"
2 15 LYS 7.636 1.098 5 2 "[ - + 1 . ]"
2 16 PRO 0.403 0.073 6 0 "[ . 1 . ]"
2 17 ILE 8.115 0.457 5 0 "[ . 1 . ]"
2 18 TYR 3.369 0.457 5 0 "[ . 1 . ]"
2 19 LYS 0.138 0.018 1 0 "[ . 1 . ]"
2 20 LYS 21.932 1.578 2 15 [*+**.**-********]
2 21 ALA 0.076 0.051 13 0 "[ . 1 . ]"
2 22 PRO 0.046 0.039 1 0 "[ . 1 . ]"
2 23 THR 1.618 0.209 1 0 "[ . 1 . ]"
2 24 ASN 0.038 0.034 9 0 "[ . 1 . ]"
2 25 GLU 0.204 0.166 16 0 "[ . 1 . ]"
2 26 PHE 0.277 0.166 16 0 "[ . 1 . ]"
2 27 TYR 0.110 0.110 1 0 "[ . 1 . ]"
2 28 ALA 0.000 0.000 . 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 H1 1 1 ARG HA 4.000 . 6.000 2.558 2.255 2.979 . 0 0 "[ . 1 . ]" 1
2 1 1 ARG H1 1 1 ARG QG 4.000 . 6.000 2.978 2.050 3.933 . 0 0 "[ . 1 . ]" 1
3 1 1 ARG HA 1 2 MET H 4.000 . 5.000 2.812 2.219 3.589 . 0 0 "[ . 1 . ]" 1
4 1 2 MET HA 1 3 LYS H 2.500 . 2.700 2.312 2.211 2.638 . 0 0 "[ . 1 . ]" 1
5 1 3 LYS H 1 3 LYS QG 4.000 . 6.000 2.984 1.890 4.154 . 0 0 "[ . 1 . ]" 1
6 1 3 LYS HA 1 3 LYS QD 4.000 . 6.000 3.552 1.868 4.461 . 0 0 "[ . 1 . ]" 1
7 1 3 LYS HA 1 4 LYS H 3.000 . 3.300 2.515 2.214 2.967 . 0 0 "[ . 1 . ]" 1
8 1 3 LYS HA 1 4 LYS QB 4.000 . 6.000 4.371 3.791 5.051 . 0 0 "[ . 1 . ]" 1
9 1 3 LYS QB 1 4 LYS H 4.000 . 6.000 3.112 1.877 4.048 . 0 0 "[ . 1 . ]" 1
10 1 3 LYS QB 1 4 LYS QG 4.000 . 6.000 4.530 3.505 5.988 . 0 0 "[ . 1 . ]" 1
11 1 3 LYS QD 1 4 LYS H 4.000 . 6.000 4.466 1.872 5.896 . 0 0 "[ . 1 . ]" 1
12 1 3 LYS QG 1 4 LYS H 4.000 . 6.000 3.632 1.925 4.393 . 0 0 "[ . 1 . ]" 1
13 1 4 LYS H 1 4 LYS HA 3.000 . 3.300 2.972 2.907 3.002 . 0 0 "[ . 1 . ]" 1
14 1 4 LYS H 1 4 LYS QD 4.000 . 6.000 4.185 3.352 4.916 . 0 0 "[ . 1 . ]" 1
15 1 4 LYS H 1 4 LYS QG 4.000 . 6.000 2.875 1.858 4.155 . 0 0 "[ . 1 . ]" 1
16 1 4 LYS HA 1 5 LYS H 3.000 . 3.300 2.777 2.217 3.310 0.010 14 0 "[ . 1 . ]" 1
17 1 4 LYS HA 1 5 LYS QB 4.000 . 6.000 4.310 3.656 5.014 . 0 0 "[ . 1 . ]" 1
18 1 4 LYS QB 1 5 LYS H 4.000 . 6.000 3.068 1.861 4.004 . 0 0 "[ . 1 . ]" 1
19 1 4 LYS QB 1 5 LYS QG 4.000 . 6.000 4.210 2.294 6.012 0.012 1 0 "[ . 1 . ]" 1
20 1 4 LYS QD 1 5 LYS H 4.000 . 6.000 4.685 3.044 5.914 . 0 0 "[ . 1 . ]" 1
21 1 4 LYS QG 1 5 LYS H 4.000 . 6.000 3.543 2.039 4.451 . 0 0 "[ . 1 . ]" 1
22 1 5 LYS H 1 5 LYS HA 3.000 . 3.300 2.640 2.363 2.987 . 0 0 "[ . 1 . ]" 1
23 1 5 LYS HA 1 5 LYS QD 4.000 . 6.000 3.635 1.868 4.306 . 0 0 "[ . 1 . ]" 1
24 1 5 LYS HA 1 6 ASP H 3.000 . 3.300 2.574 2.211 3.042 . 0 0 "[ . 1 . ]" 1
25 1 5 LYS QB 1 6 ASP H 4.000 . 6.000 2.629 1.866 4.066 . 0 0 "[ . 1 . ]" 1
26 1 5 LYS QD 1 6 ASP H 4.000 . 6.000 4.222 2.951 5.608 . 0 0 "[ . 1 . ]" 1
27 1 5 LYS QG 1 6 ASP H 4.000 . 6.000 3.298 2.095 4.632 . 0 0 "[ . 1 . ]" 1
28 1 6 ASP H 1 6 ASP HA 3.000 . 3.300 2.761 2.364 3.002 . 0 0 "[ . 1 . ]" 1
29 1 6 ASP HA 1 7 GLU H 2.500 . 2.700 2.463 2.209 2.705 0.005 14 0 "[ . 1 . ]" 1
30 1 6 ASP QB 1 7 GLU H 4.000 . 6.000 3.139 2.155 4.042 . 0 0 "[ . 1 . ]" 1
31 1 7 GLU H 1 7 GLU HA 3.000 . 3.300 2.899 2.376 3.004 . 0 0 "[ . 1 . ]" 1
32 1 7 GLU H 1 7 GLU QG 4.000 . 6.000 3.076 1.827 4.341 . 0 0 "[ . 1 . ]" 1
33 1 7 GLU H 1 8 GLY H 4.000 . 5.000 4.187 2.361 4.594 . 0 0 "[ . 1 . ]" 1
34 1 7 GLU HA 1 8 GLY H 2.500 . 2.700 2.486 2.211 2.737 0.037 1 0 "[ . 1 . ]" 1
35 1 7 GLU QG 1 8 GLY H 4.000 . 6.000 3.773 2.684 4.527 . 0 0 "[ . 1 . ]" 1
36 1 8 GLY H 1 8 GLY QA 2.500 . 3.700 2.428 2.254 2.532 . 0 0 "[ . 1 . ]" 1
37 1 8 GLY H 1 9 SER H 3.000 . 3.300 3.157 2.274 3.545 0.245 1 0 "[ . 1 . ]" 1
38 1 8 GLY QA 1 9 SER H 2.500 . 3.700 2.323 2.164 2.697 . 0 0 "[ . 1 . ]" 1
39 1 8 GLY QA 1 9 SER QB 4.000 . 6.000 3.964 3.386 4.520 . 0 0 "[ . 1 . ]" 1
40 1 9 SER H 1 9 SER HA 2.500 . 2.700 2.887 2.874 2.902 0.202 9 0 "[ . 1 . ]" 1
41 1 9 SER H 1 9 SER QB 2.500 . 3.700 2.778 2.001 3.360 . 0 0 "[ . 1 . ]" 1
42 1 9 SER H 1 10 TYR H 4.000 . 5.000 3.935 2.919 4.654 . 0 0 "[ . 1 . ]" 1
43 1 9 SER HA 1 10 TYR H 4.000 . 5.000 2.692 2.265 3.505 . 0 0 "[ . 1 . ]" 1
44 1 9 SER QB 1 10 TYR H 3.000 . 4.300 2.866 1.860 3.969 . 0 0 "[ . 1 . ]" 1
45 1 9 SER QB 1 10 TYR HA 3.000 . 4.300 4.196 3.736 4.549 0.249 14 0 "[ . 1 . ]" 1
46 1 9 SER QB 2 10 TYR HA 4.000 . 6.000 4.731 3.359 5.392 . 0 0 "[ . 1 . ]" 1
47 1 10 TYR H 1 10 TYR HA 3.000 . 3.300 2.785 2.366 3.001 . 0 0 "[ . 1 . ]" 1
48 1 10 TYR H 1 10 TYR QB 3.000 . 4.300 2.721 2.213 2.932 . 0 0 "[ . 1 . ]" 1
49 1 10 TYR H 1 10 TYR QD 4.000 . 6.000 3.523 1.854 4.428 . 0 0 "[ . 1 . ]" 1
50 1 10 TYR HA 1 11 ASP H 4.000 . 5.000 2.596 2.213 3.250 . 0 0 "[ . 1 . ]" 1
51 1 10 TYR HA 1 11 ASP QB 4.000 . 6.000 4.385 3.694 5.216 . 0 0 "[ . 1 . ]" 1
52 1 10 TYR HA 2 9 SER QB 4.000 . 6.000 4.731 3.359 5.391 . 0 0 "[ . 1 . ]" 1
53 1 10 TYR QB 1 10 TYR QE 4.000 . 6.000 3.977 3.962 4.004 . 0 0 "[ . 1 . ]" 1
54 1 10 TYR QB 1 11 ASP H 3.000 . 4.300 3.256 1.871 4.034 . 0 0 "[ . 1 . ]" 1
55 1 10 TYR QD 1 11 ASP H 4.000 . 6.000 3.574 1.893 4.722 . 0 0 "[ . 1 . ]" 1
56 1 10 TYR QD 2 12 LEU QD 4.000 . 6.000 3.353 1.751 3.968 0.049 11 0 "[ . 1 . ]" 1
57 1 11 ASP H 1 11 ASP HA 2.500 . 2.700 2.887 2.873 2.916 0.216 2 0 "[ . 1 . ]" 1
58 1 11 ASP H 1 11 ASP QB 2.500 . 2.700 2.453 1.950 2.769 0.069 14 0 "[ . 1 . ]" 1
59 1 11 ASP H 1 12 LEU H 4.000 . 5.000 3.726 1.911 4.655 . 0 0 "[ . 1 . ]" 1
60 1 11 ASP H 1 12 LEU QB 4.000 . 6.000 4.360 3.248 5.872 . 0 0 "[ . 1 . ]" 1
61 1 11 ASP HA 1 12 LEU H 4.000 . 5.000 3.052 2.471 3.573 . 0 0 "[ . 1 . ]" 1
62 1 11 ASP HA 1 12 LEU QD 4.000 . 6.000 4.349 2.666 5.343 . 0 0 "[ . 1 . ]" 1
63 1 11 ASP HA 2 12 LEU QD 4.000 . 6.000 4.098 1.975 4.455 . 0 0 "[ . 1 . ]" 1
64 1 11 ASP QB 1 12 LEU H 3.000 . 4.300 2.396 1.817 4.039 . 0 0 "[ . 1 . ]" 1
65 1 12 LEU H 1 12 LEU HA 2.500 . 2.700 2.555 2.363 2.849 0.149 13 0 "[ . 1 . ]" 1
66 1 12 LEU H 1 12 LEU QB 3.000 . 4.300 3.045 2.205 3.392 . 0 0 "[ . 1 . ]" 1
67 1 12 LEU H 1 12 LEU HG 4.000 . 5.000 2.556 1.872 3.756 . 0 0 "[ . 1 . ]" 1
68 1 12 LEU H 1 13 GLY H 4.000 . 5.000 4.539 4.282 4.706 . 0 0 "[ . 1 . ]" 1
69 1 12 LEU HA 1 12 LEU QB 2.500 . 3.700 2.365 2.199 2.488 . 0 0 "[ . 1 . ]" 1
70 1 12 LEU HA 1 12 LEU QD 3.000 . 4.300 2.432 1.801 3.405 . 0 0 "[ . 1 . ]" 1
71 1 12 LEU HA 1 12 LEU HG 4.000 . 5.000 2.878 2.275 3.581 . 0 0 "[ . 1 . ]" 1
72 1 12 LEU HA 1 13 GLY H 2.500 . 2.700 2.467 2.229 2.729 0.029 4 0 "[ . 1 . ]" 1
73 1 12 LEU HA 2 12 LEU QD 4.000 . 6.000 4.134 3.188 4.456 . 0 0 "[ . 1 . ]" 1
74 1 12 LEU HA 2 14 LYS HA 4.000 . 5.000 3.448 2.420 5.001 0.001 13 0 "[ . 1 . ]" 1
75 1 12 LEU QB 1 13 GLY H 4.000 . 6.000 2.566 1.994 3.233 . 0 0 "[ . 1 . ]" 1
76 1 12 LEU QD 1 13 GLY H 4.000 . 6.000 3.371 2.629 3.838 . 0 0 "[ . 1 . ]" 1
77 1 12 LEU QD 2 10 TYR QD 4.000 . 6.000 3.354 1.752 3.969 0.048 11 0 "[ . 1 . ]" 1
78 1 12 LEU QD 2 11 ASP HA 4.000 . 6.000 4.098 1.975 4.455 . 0 0 "[ . 1 . ]" 1
79 1 12 LEU QD 2 12 LEU HA 4.000 . 6.000 4.134 3.188 4.457 . 0 0 "[ . 1 . ]" 1
80 1 13 GLY H 1 13 GLY QA 2.500 . 3.700 2.348 2.254 2.498 . 0 0 "[ . 1 . ]" 1
81 1 13 GLY H 1 14 LYS H 3.000 . 3.300 2.770 2.412 3.386 0.086 4 0 "[ . 1 . ]" 1
82 1 13 GLY H 2 15 LYS HA 4.000 . 5.000 4.273 3.961 4.922 . 0 0 "[ . 1 . ]" 1
83 1 13 GLY QA 1 14 LYS H 2.500 . 3.700 2.414 2.257 2.548 . 0 0 "[ . 1 . ]" 1
84 1 13 GLY QA 1 14 LYS QB 4.000 . 6.000 3.553 3.480 3.865 . 0 0 "[ . 1 . ]" 1
85 1 14 LYS H 1 14 LYS HA 2.500 . 2.700 2.898 2.888 2.934 0.234 10 0 "[ . 1 . ]" 1
86 1 14 LYS H 1 14 LYS QB 3.000 . 4.300 2.819 2.637 3.327 . 0 0 "[ . 1 . ]" 1
87 1 14 LYS H 1 14 LYS QD 4.000 . 6.000 4.609 3.694 5.141 . 0 0 "[ . 1 . ]" 1
88 1 14 LYS H 1 14 LYS QG 4.000 . 6.000 3.857 2.302 4.233 . 0 0 "[ . 1 . ]" 1
89 1 14 LYS H 1 15 LYS H 3.000 . 3.300 3.433 3.267 4.281 0.981 5 1 "[ + 1 . ]" 1
90 1 14 LYS H 1 15 LYS HA 4.000 . 5.000 4.447 4.251 5.295 0.295 5 0 "[ . 1 . ]" 1
91 1 14 LYS HA 1 15 LYS H 3.000 . 3.300 3.383 2.274 3.487 0.187 1 0 "[ . 1 . ]" 1
92 1 14 LYS HA 1 15 LYS QB 4.000 . 6.000 4.740 4.155 5.048 . 0 0 "[ . 1 . ]" 1
93 1 14 LYS HA 2 12 LEU HA 4.000 . 5.000 3.448 2.419 5.000 0.000 13 0 "[ . 1 . ]" 1
94 1 14 LYS QB 1 15 LYS H 4.000 . 6.000 1.902 1.797 2.888 0.003 10 0 "[ . 1 . ]" 1
95 1 14 LYS QB 1 15 LYS QD 4.000 . 6.000 4.919 1.894 5.999 . 0 0 "[ . 1 . ]" 1
96 1 14 LYS QD 1 15 LYS HA 4.000 . 6.000 5.820 4.958 7.098 1.098 5 2 "[ - + 1 . ]" 1
97 1 14 LYS QG 1 15 LYS H 4.000 . 6.000 3.038 1.874 4.106 . 0 0 "[ . 1 . ]" 1
98 1 15 LYS H 1 15 LYS HA 3.000 . 3.300 2.958 2.574 3.000 . 0 0 "[ . 1 . ]" 1
99 1 15 LYS H 1 15 LYS QB 3.000 . 3.300 2.561 2.347 3.099 . 0 0 "[ . 1 . ]" 1
100 1 15 LYS H 1 15 LYS QG 3.000 . 3.300 3.065 2.003 3.385 0.085 8 0 "[ . 1 . ]" 1
101 1 15 LYS HA 1 16 PRO QD 3.000 . 4.300 1.943 1.892 2.009 . 0 0 "[ . 1 . ]" 1
102 1 15 LYS HA 2 13 GLY H 4.000 . 5.000 4.273 3.960 4.923 . 0 0 "[ . 1 . ]" 1
103 1 15 LYS HA 2 16 PRO QB 4.000 . 6.000 5.235 5.008 5.371 . 0 0 "[ . 1 . ]" 1
104 1 15 LYS QB 1 16 PRO QD 3.000 . 4.300 2.892 2.448 3.158 . 0 0 "[ . 1 . ]" 1
105 1 15 LYS QG 1 16 PRO QD 3.000 . 4.300 3.455 2.759 4.179 . 0 0 "[ . 1 . ]" 1
106 1 16 PRO HA 1 16 PRO QD 4.000 . 6.000 3.411 3.387 3.426 . 0 0 "[ . 1 . ]" 1
107 1 16 PRO HA 1 17 ILE H 2.500 . 2.700 2.276 2.204 2.336 . 0 0 "[ . 1 . ]" 1
108 1 16 PRO HA 2 17 ILE HA 4.000 . 5.000 5.022 4.955 5.072 0.072 6 0 "[ . 1 . ]" 1
109 1 16 PRO HA 2 17 ILE MD 3.000 . 4.300 2.710 1.854 3.613 . 0 0 "[ . 1 . ]" 1
110 1 16 PRO QB 1 16 PRO QD 3.000 . 4.300 2.820 2.788 2.843 . 0 0 "[ . 1 . ]" 1
111 1 16 PRO QB 1 17 ILE H 3.000 . 4.300 3.441 2.890 3.816 . 0 0 "[ . 1 . ]" 1
112 1 16 PRO QB 1 17 ILE QG 4.000 . 6.000 4.397 4.022 4.682 . 0 0 "[ . 1 . ]" 1
113 1 16 PRO QB 2 15 LYS HA 4.000 . 6.000 5.235 5.008 5.372 . 0 0 "[ . 1 . ]" 1
114 1 16 PRO QD 1 17 ILE H 4.000 . 6.000 4.853 4.664 5.010 . 0 0 "[ . 1 . ]" 1
115 1 16 PRO QG 1 17 ILE H 4.000 . 6.000 4.665 4.416 4.789 . 0 0 "[ . 1 . ]" 1
116 1 17 ILE H 1 17 ILE HA 3.000 . 3.300 2.967 2.918 2.994 . 0 0 "[ . 1 . ]" 1
117 1 17 ILE H 1 17 ILE HB 3.000 . 3.300 2.856 2.564 3.542 0.242 10 0 "[ . 1 . ]" 1
118 1 17 ILE H 1 17 ILE MD 3.000 . 4.300 2.759 1.833 3.768 . 0 0 "[ . 1 . ]" 1
119 1 17 ILE H 1 17 ILE QG 3.000 . 4.300 2.226 1.744 2.424 0.056 6 0 "[ . 1 . ]" 1
120 1 17 ILE H 1 17 ILE MG 3.000 . 4.300 3.662 2.986 3.934 . 0 0 "[ . 1 . ]" 1
121 1 17 ILE H 1 18 TYR H 4.000 . 5.000 4.511 4.400 4.641 . 0 0 "[ . 1 . ]" 1
122 1 17 ILE H 2 17 ILE MD 4.000 . 6.000 2.902 2.448 3.899 . 0 0 "[ . 1 . ]" 1
123 1 17 ILE H 2 18 TYR QD 4.000 . 6.000 5.024 4.559 5.401 . 0 0 "[ . 1 . ]" 1
124 1 17 ILE HA 1 17 ILE HB 2.500 . 2.700 2.937 2.633 3.014 0.314 1 0 "[ . 1 . ]" 1
125 1 17 ILE HA 1 17 ILE MD 3.000 . 4.300 3.852 3.649 4.129 . 0 0 "[ . 1 . ]" 1
126 1 17 ILE HA 1 18 TYR H 2.500 . 2.700 2.592 2.399 2.698 . 0 0 "[ . 1 . ]" 1
127 1 17 ILE HA 2 16 PRO HA 4.000 . 5.000 5.022 4.955 5.073 0.073 6 0 "[ . 1 . ]" 1
128 1 17 ILE HA 2 17 ILE MD 4.000 . 6.000 4.291 4.061 4.762 . 0 0 "[ . 1 . ]" 1
129 1 17 ILE HB 2 18 TYR QD 4.000 . 6.000 2.937 2.179 4.430 . 0 0 "[ . 1 . ]" 1
130 1 17 ILE HB 2 18 TYR QE 4.000 . 6.000 3.982 3.487 4.340 . 0 0 "[ . 1 . ]" 1
131 1 17 ILE MD 1 17 ILE MG 3.000 . 4.300 2.552 1.903 3.024 . 0 0 "[ . 1 . ]" 1
132 1 17 ILE MD 1 18 TYR H 3.000 . 4.300 4.484 4.250 4.756 0.456 5 0 "[ . 1 . ]" 1
133 1 17 ILE MD 2 16 PRO HA 3.000 . 4.300 2.710 1.854 3.613 . 0 0 "[ . 1 . ]" 1
134 1 17 ILE MD 2 17 ILE H 4.000 . 6.000 2.902 2.448 3.898 . 0 0 "[ . 1 . ]" 1
135 1 17 ILE MD 2 17 ILE HA 4.000 . 6.000 4.291 4.061 4.762 . 0 0 "[ . 1 . ]" 1
136 1 17 ILE MD 2 18 TYR H 4.000 . 6.000 5.007 4.991 5.028 . 0 0 "[ . 1 . ]" 1
137 1 17 ILE MD 2 18 TYR HA 4.000 . 6.000 4.152 3.560 4.459 . 0 0 "[ . 1 . ]" 1
138 1 17 ILE MD 2 18 TYR QD 4.000 . 6.000 2.694 2.023 3.372 . 0 0 "[ . 1 . ]" 1
139 1 17 ILE QG 1 17 ILE MG 3.000 . 4.300 2.042 1.892 2.266 . 0 0 "[ . 1 . ]" 1
140 1 17 ILE QG 1 18 TYR H 3.000 . 4.300 2.112 1.802 3.330 . 0 0 "[ . 1 . ]" 1
141 1 18 TYR H 1 18 TYR HA 3.000 . 3.300 2.936 2.902 3.002 . 0 0 "[ . 1 . ]" 1
142 1 18 TYR H 1 18 TYR QB 2.500 . 3.700 2.711 2.384 2.835 . 0 0 "[ . 1 . ]" 1
143 1 18 TYR H 1 18 TYR QD 3.000 . 4.300 4.186 3.972 4.433 0.133 5 0 "[ . 1 . ]" 1
144 1 18 TYR H 1 19 LYS H 4.000 . 5.000 3.180 2.627 3.988 . 0 0 "[ . 1 . ]" 1
145 1 18 TYR H 2 17 ILE MD 4.000 . 6.000 5.007 4.991 5.027 . 0 0 "[ . 1 . ]" 1
146 1 18 TYR H 2 18 TYR QD 4.000 . 6.000 4.626 3.693 5.364 . 0 0 "[ . 1 . ]" 1
147 1 18 TYR HA 1 19 LYS H 3.000 . 3.300 2.475 2.238 2.664 . 0 0 "[ . 1 . ]" 1
148 1 18 TYR HA 2 17 ILE MD 4.000 . 6.000 4.152 3.560 4.458 . 0 0 "[ . 1 . ]" 1
149 1 18 TYR HA 2 18 TYR QD 4.000 . 6.000 4.788 4.100 5.346 . 0 0 "[ . 1 . ]" 1
150 1 18 TYR HA 2 19 LYS HA 4.000 . 5.000 5.006 5.000 5.018 0.018 1 0 "[ . 1 . ]" 1
151 1 18 TYR QB 1 18 TYR QE 4.000 . 6.000 3.979 3.962 3.992 . 0 0 "[ . 1 . ]" 1
152 1 18 TYR QD 2 17 ILE H 4.000 . 6.000 5.024 4.558 5.401 . 0 0 "[ . 1 . ]" 1
153 1 18 TYR QD 2 17 ILE HB 4.000 . 6.000 2.937 2.176 4.430 . 0 0 "[ . 1 . ]" 1
154 1 18 TYR QD 2 17 ILE MD 4.000 . 6.000 2.694 2.021 3.372 . 0 0 "[ . 1 . ]" 1
155 1 18 TYR QD 2 18 TYR H 4.000 . 6.000 4.626 3.692 5.364 . 0 0 "[ . 1 . ]" 1
156 1 18 TYR QD 2 18 TYR HA 4.000 . 6.000 4.788 4.099 5.347 . 0 0 "[ . 1 . ]" 1
157 1 18 TYR QD 2 20 LYS HA 4.000 . 6.000 4.198 3.040 5.136 . 0 0 "[ . 1 . ]" 1
158 1 18 TYR QD 2 20 LYS QG 4.000 . 6.000 3.403 2.298 4.763 . 0 0 "[ . 1 . ]" 1
159 1 18 TYR QE 2 17 ILE HB 4.000 . 6.000 3.981 3.488 4.340 . 0 0 "[ . 1 . ]" 1
160 1 19 LYS H 1 19 LYS HA 3.000 . 3.300 2.979 2.933 3.003 . 0 0 "[ . 1 . ]" 1
161 1 19 LYS H 1 19 LYS QD 4.000 . 6.000 4.372 3.493 4.920 . 0 0 "[ . 1 . ]" 1
162 1 19 LYS H 1 19 LYS QG 4.000 . 6.000 3.928 2.343 4.299 . 0 0 "[ . 1 . ]" 1
163 1 19 LYS H 1 20 LYS H 4.000 . 5.000 4.326 3.735 4.502 . 0 0 "[ . 1 . ]" 1
164 1 19 LYS HA 1 20 LYS H 4.000 . 5.000 2.374 2.233 2.837 . 0 0 "[ . 1 . ]" 1
165 1 19 LYS HA 1 20 LYS QB 4.000 . 6.000 3.809 3.572 4.121 . 0 0 "[ . 1 . ]" 1
166 1 19 LYS HA 2 18 TYR HA 4.000 . 5.000 5.007 5.002 5.018 0.018 1 0 "[ . 1 . ]" 1
167 1 19 LYS HA 2 20 LYS HA 4.000 . 5.000 4.613 3.130 5.012 0.012 10 0 "[ . 1 . ]" 1
168 1 20 LYS H 1 20 LYS HA 2.500 . 2.700 2.823 2.810 2.846 0.146 15 0 "[ . 1 . ]" 1
169 1 20 LYS H 1 20 LYS QB 3.000 . 4.300 2.873 1.945 2.958 . 0 0 "[ . 1 . ]" 1
170 1 20 LYS H 1 20 LYS QD 2.500 . 3.700 4.936 4.003 5.279 1.579 2 15 [*+**.**-********] 1
171 1 20 LYS H 1 20 LYS QG 3.000 . 4.300 4.040 3.110 4.457 0.157 5 0 "[ . 1 . ]" 1
172 1 20 LYS H 2 20 LYS QD 4.000 . 6.000 3.572 2.960 4.347 . 0 0 "[ . 1 . ]" 1
173 1 20 LYS HA 1 20 LYS QB 2.500 . 3.700 2.498 2.272 2.551 . 0 0 "[ . 1 . ]" 1
174 1 20 LYS HA 1 21 ALA H 2.500 . 2.700 2.398 2.217 2.706 0.006 13 0 "[ . 1 . ]" 1
175 1 20 LYS HA 1 21 ALA MB 4.000 . 6.000 3.960 3.741 4.308 . 0 0 "[ . 1 . ]" 1
176 1 20 LYS HA 2 18 TYR QD 4.000 . 6.000 4.198 3.040 5.137 . 0 0 "[ . 1 . ]" 1
177 1 20 LYS HA 2 19 LYS HA 4.000 . 5.000 4.614 3.131 5.014 0.014 13 0 "[ . 1 . ]" 1
178 1 20 LYS QB 1 21 ALA H 4.000 . 6.000 3.381 2.172 4.051 . 0 0 "[ . 1 . ]" 1
179 1 20 LYS QD 2 20 LYS H 4.000 . 6.000 3.573 2.960 4.346 . 0 0 "[ . 1 . ]" 1
180 1 20 LYS QG 1 21 ALA H 4.000 . 6.000 3.400 2.603 4.379 . 0 0 "[ . 1 . ]" 1
181 1 20 LYS QG 2 18 TYR QD 4.000 . 6.000 3.403 2.298 4.763 . 0 0 "[ . 1 . ]" 1
182 1 21 ALA H 1 21 ALA HA 3.000 . 3.300 2.953 2.889 3.003 . 0 0 "[ . 1 . ]" 1
183 1 21 ALA H 1 21 ALA MB 2.500 . 2.700 2.484 2.049 2.751 0.051 13 0 "[ . 1 . ]" 1
184 1 21 ALA HA 1 22 PRO QG 4.000 . 6.000 3.938 3.813 4.235 . 0 0 "[ . 1 . ]" 1
185 1 22 PRO HA 1 22 PRO QD 4.000 . 6.000 3.418 3.415 3.419 . 0 0 "[ . 1 . ]" 1
186 1 22 PRO HA 1 22 PRO QG 3.000 . 4.300 3.514 3.514 3.515 . 0 0 "[ . 1 . ]" 1
187 1 22 PRO HA 1 23 THR H 2.500 . 2.700 2.551 2.230 2.738 0.038 1 0 "[ . 1 . ]" 1
188 1 22 PRO QB 1 23 THR H 4.000 . 6.000 3.053 2.032 4.019 . 0 0 "[ . 1 . ]" 1
189 1 22 PRO QG 1 23 THR H 4.000 . 6.000 4.266 3.710 4.784 . 0 0 "[ . 1 . ]" 1
190 1 23 THR H 1 23 THR HA 2.500 . 2.700 2.758 2.376 2.909 0.209 1 0 "[ . 1 . ]" 1
191 1 23 THR H 1 23 THR HG1 4.000 . 6.000 2.744 1.835 3.693 . 0 0 "[ . 1 . ]" 1
192 1 23 THR H 1 24 ASN H 4.000 . 5.000 4.212 2.906 4.705 . 0 0 "[ . 1 . ]" 1
193 1 23 THR HA 1 23 THR HG1 3.000 . 4.300 2.295 1.917 2.933 . 0 0 "[ . 1 . ]" 1
194 1 23 THR HA 1 24 ASN H 4.000 . 5.000 2.511 2.212 3.513 . 0 0 "[ . 1 . ]" 1
195 1 23 THR HB 1 24 ASN H 4.000 . 6.000 3.751 2.892 4.515 . 0 0 "[ . 1 . ]" 1
196 1 23 THR HG1 1 24 ASN HA 4.000 . 6.000 4.034 3.018 5.326 . 0 0 "[ . 1 . ]" 1
197 1 24 ASN H 1 24 ASN QB 3.000 . 4.300 2.492 1.955 2.921 . 0 0 "[ . 1 . ]" 1
198 1 24 ASN H 1 25 GLU QB 4.000 . 6.000 4.724 3.210 5.813 . 0 0 "[ . 1 . ]" 1
199 1 24 ASN H 1 25 GLU QG 4.000 . 6.000 5.431 4.540 6.033 0.033 9 0 "[ . 1 . ]" 1
200 1 24 ASN HA 1 25 GLU H 3.000 . 3.300 2.412 2.219 2.876 . 0 0 "[ . 1 . ]" 1
201 1 24 ASN QB 1 25 GLU H 4.000 . 6.000 3.323 2.566 4.066 . 0 0 "[ . 1 . ]" 1
202 1 25 GLU H 1 25 GLU HA 3.000 . 3.300 2.944 2.908 3.001 . 0 0 "[ . 1 . ]" 1
203 1 25 GLU HA 1 26 PHE H 3.000 . 3.300 2.763 2.260 3.466 0.166 16 0 "[ . 1 . ]" 1
204 1 26 PHE H 1 26 PHE QB 3.000 . 4.300 2.499 1.951 2.924 . 0 0 "[ . 1 . ]" 1
205 1 26 PHE H 1 26 PHE QD 4.000 . 6.000 3.820 1.825 4.539 . 0 0 "[ . 1 . ]" 1
206 1 26 PHE H 1 27 TYR H 4.000 . 5.000 4.279 3.166 4.678 . 0 0 "[ . 1 . ]" 1
207 1 26 PHE HA 1 27 TYR H 2.500 . 2.700 2.436 2.221 2.810 0.110 1 0 "[ . 1 . ]" 1
208 1 26 PHE QB 1 26 PHE QE 4.000 . 6.000 3.971 3.961 3.995 . 0 0 "[ . 1 . ]" 1
209 1 26 PHE QD 1 27 TYR H 4.000 . 6.000 3.005 1.890 4.443 . 0 0 "[ . 1 . ]" 1
210 1 27 TYR H 1 28 ALA H 4.000 . 5.000 3.183 1.882 4.443 . 0 0 "[ . 1 . ]" 1
211 1 27 TYR HA 1 28 ALA H 4.000 . 5.000 3.070 2.244 3.583 . 0 0 "[ . 1 . ]" 1
212 2 1 ARG H1 2 1 ARG HA 4.000 . 6.000 2.558 2.256 2.977 . 0 0 "[ . 1 . ]" 1
213 2 1 ARG H1 2 1 ARG QG 4.000 . 6.000 2.978 2.050 3.933 . 0 0 "[ . 1 . ]" 1
214 2 1 ARG HA 2 2 MET H 4.000 . 5.000 2.812 2.220 3.589 . 0 0 "[ . 1 . ]" 1
215 2 2 MET HA 2 3 LYS H 2.500 . 2.700 2.311 2.210 2.638 . 0 0 "[ . 1 . ]" 1
216 2 3 LYS H 2 3 LYS QG 4.000 . 6.000 2.984 1.890 4.153 . 0 0 "[ . 1 . ]" 1
217 2 3 LYS HA 2 3 LYS QD 4.000 . 6.000 3.552 1.868 4.459 . 0 0 "[ . 1 . ]" 1
218 2 3 LYS HA 2 4 LYS H 3.000 . 3.300 2.515 2.215 2.966 . 0 0 "[ . 1 . ]" 1
219 2 3 LYS HA 2 4 LYS QB 4.000 . 6.000 4.372 3.792 5.052 . 0 0 "[ . 1 . ]" 1
220 2 3 LYS QB 2 4 LYS H 4.000 . 6.000 3.112 1.877 4.047 . 0 0 "[ . 1 . ]" 1
221 2 3 LYS QB 2 4 LYS QG 4.000 . 6.000 4.530 3.505 5.988 . 0 0 "[ . 1 . ]" 1
222 2 3 LYS QD 2 4 LYS H 4.000 . 6.000 4.466 1.872 5.896 . 0 0 "[ . 1 . ]" 1
223 2 3 LYS QG 2 4 LYS H 4.000 . 6.000 3.632 1.925 4.393 . 0 0 "[ . 1 . ]" 1
224 2 4 LYS H 2 4 LYS HA 3.000 . 3.300 2.972 2.907 3.002 . 0 0 "[ . 1 . ]" 1
225 2 4 LYS H 2 4 LYS QD 4.000 . 6.000 4.185 3.353 4.917 . 0 0 "[ . 1 . ]" 1
226 2 4 LYS H 2 4 LYS QG 4.000 . 6.000 2.875 1.857 4.156 . 0 0 "[ . 1 . ]" 1
227 2 4 LYS HA 2 5 LYS H 3.000 . 3.300 2.777 2.217 3.309 0.009 14 0 "[ . 1 . ]" 1
228 2 4 LYS HA 2 5 LYS QB 4.000 . 6.000 4.310 3.655 5.016 . 0 0 "[ . 1 . ]" 1
229 2 4 LYS QB 2 5 LYS H 4.000 . 6.000 3.068 1.863 4.003 . 0 0 "[ . 1 . ]" 1
230 2 4 LYS QB 2 5 LYS QG 4.000 . 6.000 4.210 2.294 6.012 0.012 1 0 "[ . 1 . ]" 1
231 2 4 LYS QD 2 5 LYS H 4.000 . 6.000 4.684 3.044 5.915 . 0 0 "[ . 1 . ]" 1
232 2 4 LYS QG 2 5 LYS H 4.000 . 6.000 3.543 2.039 4.451 . 0 0 "[ . 1 . ]" 1
233 2 5 LYS H 2 5 LYS HA 3.000 . 3.300 2.640 2.364 2.987 . 0 0 "[ . 1 . ]" 1
234 2 5 LYS HA 2 5 LYS QD 4.000 . 6.000 3.636 1.868 4.306 . 0 0 "[ . 1 . ]" 1
235 2 5 LYS HA 2 6 ASP H 3.000 . 3.300 2.574 2.211 3.041 . 0 0 "[ . 1 . ]" 1
236 2 5 LYS QB 2 6 ASP H 4.000 . 6.000 2.629 1.866 4.066 . 0 0 "[ . 1 . ]" 1
237 2 5 LYS QD 2 6 ASP H 4.000 . 6.000 4.222 2.952 5.608 . 0 0 "[ . 1 . ]" 1
238 2 5 LYS QG 2 6 ASP H 4.000 . 6.000 3.298 2.095 4.632 . 0 0 "[ . 1 . ]" 1
239 2 6 ASP H 2 6 ASP HA 3.000 . 3.300 2.761 2.364 3.003 . 0 0 "[ . 1 . ]" 1
240 2 6 ASP HA 2 7 GLU H 2.500 . 2.700 2.463 2.209 2.706 0.006 14 0 "[ . 1 . ]" 1
241 2 6 ASP QB 2 7 GLU H 4.000 . 6.000 3.139 2.156 4.041 . 0 0 "[ . 1 . ]" 1
242 2 7 GLU H 2 7 GLU HA 3.000 . 3.300 2.899 2.374 3.003 . 0 0 "[ . 1 . ]" 1
243 2 7 GLU H 2 7 GLU QG 4.000 . 6.000 3.076 1.826 4.342 . 0 0 "[ . 1 . ]" 1
244 2 7 GLU H 2 8 GLY H 4.000 . 5.000 4.187 2.362 4.594 . 0 0 "[ . 1 . ]" 1
245 2 7 GLU HA 2 8 GLY H 2.500 . 2.700 2.486 2.210 2.737 0.037 1 0 "[ . 1 . ]" 1
246 2 7 GLU QG 2 8 GLY H 4.000 . 6.000 3.773 2.685 4.528 . 0 0 "[ . 1 . ]" 1
247 2 8 GLY H 2 8 GLY QA 2.500 . 3.700 2.428 2.254 2.530 . 0 0 "[ . 1 . ]" 1
248 2 8 GLY H 2 9 SER H 3.000 . 3.300 3.157 2.273 3.545 0.245 1 0 "[ . 1 . ]" 1
249 2 8 GLY QA 2 9 SER H 2.500 . 3.700 2.323 2.164 2.697 . 0 0 "[ . 1 . ]" 1
250 2 8 GLY QA 2 9 SER QB 4.000 . 6.000 3.964 3.387 4.520 . 0 0 "[ . 1 . ]" 1
251 2 9 SER H 2 9 SER HA 2.500 . 2.700 2.887 2.874 2.900 0.200 9 0 "[ . 1 . ]" 1
252 2 9 SER H 2 9 SER QB 2.500 . 3.700 2.778 2.001 3.360 . 0 0 "[ . 1 . ]" 1
253 2 9 SER H 2 10 TYR H 4.000 . 5.000 3.935 2.918 4.653 . 0 0 "[ . 1 . ]" 1
254 2 9 SER HA 2 10 TYR H 4.000 . 5.000 2.691 2.265 3.504 . 0 0 "[ . 1 . ]" 1
255 2 9 SER QB 2 10 TYR H 3.000 . 4.300 2.867 1.860 3.969 . 0 0 "[ . 1 . ]" 1
256 2 9 SER QB 2 10 TYR HA 3.000 . 4.300 4.197 3.736 4.550 0.250 14 0 "[ . 1 . ]" 1
257 2 10 TYR H 2 10 TYR HA 3.000 . 3.300 2.785 2.364 3.000 . 0 0 "[ . 1 . ]" 1
258 2 10 TYR H 2 10 TYR QB 3.000 . 4.300 2.721 2.214 2.932 . 0 0 "[ . 1 . ]" 1
259 2 10 TYR H 2 10 TYR QD 4.000 . 6.000 3.523 1.853 4.428 . 0 0 "[ . 1 . ]" 1
260 2 10 TYR HA 2 11 ASP H 4.000 . 5.000 2.596 2.214 3.251 . 0 0 "[ . 1 . ]" 1
261 2 10 TYR HA 2 11 ASP QB 4.000 . 6.000 4.385 3.694 5.215 . 0 0 "[ . 1 . ]" 1
262 2 10 TYR QB 2 10 TYR QE 4.000 . 6.000 3.977 3.962 4.004 . 0 0 "[ . 1 . ]" 1
263 2 10 TYR QB 2 11 ASP H 3.000 . 4.300 3.256 1.869 4.034 . 0 0 "[ . 1 . ]" 1
264 2 10 TYR QD 2 11 ASP H 4.000 . 6.000 3.575 1.893 4.722 . 0 0 "[ . 1 . ]" 1
265 2 11 ASP H 2 11 ASP HA 2.500 . 2.700 2.887 2.874 2.915 0.215 2 0 "[ . 1 . ]" 1
266 2 11 ASP H 2 11 ASP QB 2.500 . 2.700 2.453 1.951 2.769 0.069 14 0 "[ . 1 . ]" 1
267 2 11 ASP H 2 12 LEU H 4.000 . 5.000 3.726 1.911 4.654 . 0 0 "[ . 1 . ]" 1
268 2 11 ASP H 2 12 LEU QB 4.000 . 6.000 4.360 3.247 5.873 . 0 0 "[ . 1 . ]" 1
269 2 11 ASP HA 2 12 LEU H 4.000 . 5.000 3.052 2.472 3.572 . 0 0 "[ . 1 . ]" 1
270 2 11 ASP HA 2 12 LEU QD 4.000 . 6.000 4.349 2.666 5.342 . 0 0 "[ . 1 . ]" 1
271 2 11 ASP QB 2 12 LEU H 3.000 . 4.300 2.397 1.816 4.039 . 0 0 "[ . 1 . ]" 1
272 2 12 LEU H 2 12 LEU HA 2.500 . 2.700 2.555 2.363 2.850 0.150 13 0 "[ . 1 . ]" 1
273 2 12 LEU H 2 12 LEU QB 3.000 . 4.300 3.045 2.205 3.391 . 0 0 "[ . 1 . ]" 1
274 2 12 LEU H 2 12 LEU HG 4.000 . 5.000 2.556 1.873 3.756 . 0 0 "[ . 1 . ]" 1
275 2 12 LEU H 2 13 GLY H 4.000 . 5.000 4.538 4.281 4.706 . 0 0 "[ . 1 . ]" 1
276 2 12 LEU HA 2 12 LEU QB 2.500 . 3.700 2.365 2.199 2.488 . 0 0 "[ . 1 . ]" 1
277 2 12 LEU HA 2 12 LEU QD 3.000 . 4.300 2.432 1.801 3.405 . 0 0 "[ . 1 . ]" 1
278 2 12 LEU HA 2 12 LEU HG 4.000 . 5.000 2.878 2.273 3.581 . 0 0 "[ . 1 . ]" 1
279 2 12 LEU HA 2 13 GLY H 2.500 . 2.700 2.467 2.230 2.730 0.030 4 0 "[ . 1 . ]" 1
280 2 12 LEU QB 2 13 GLY H 4.000 . 6.000 2.566 1.994 3.234 . 0 0 "[ . 1 . ]" 1
281 2 12 LEU QD 2 13 GLY H 4.000 . 6.000 3.371 2.628 3.838 . 0 0 "[ . 1 . ]" 1
282 2 13 GLY H 2 13 GLY QA 2.500 . 3.700 2.348 2.255 2.498 . 0 0 "[ . 1 . ]" 1
283 2 13 GLY H 2 14 LYS H 3.000 . 3.300 2.770 2.410 3.387 0.087 4 0 "[ . 1 . ]" 1
284 2 13 GLY QA 2 14 LYS H 2.500 . 3.700 2.414 2.258 2.550 . 0 0 "[ . 1 . ]" 1
285 2 13 GLY QA 2 14 LYS QB 4.000 . 6.000 3.553 3.481 3.865 . 0 0 "[ . 1 . ]" 1
286 2 14 LYS H 2 14 LYS HA 2.500 . 2.700 2.899 2.888 2.935 0.235 10 0 "[ . 1 . ]" 1
287 2 14 LYS H 2 14 LYS QB 3.000 . 4.300 2.819 2.639 3.327 . 0 0 "[ . 1 . ]" 1
288 2 14 LYS H 2 14 LYS QD 4.000 . 6.000 4.609 3.695 5.142 . 0 0 "[ . 1 . ]" 1
289 2 14 LYS H 2 14 LYS QG 4.000 . 6.000 3.858 2.301 4.232 . 0 0 "[ . 1 . ]" 1
290 2 14 LYS H 2 15 LYS H 3.000 . 3.300 3.433 3.267 4.280 0.980 5 1 "[ + 1 . ]" 1
291 2 14 LYS H 2 15 LYS HA 4.000 . 5.000 4.447 4.252 5.294 0.294 5 0 "[ . 1 . ]" 1
292 2 14 LYS HA 2 15 LYS H 3.000 . 3.300 3.383 2.273 3.486 0.186 1 0 "[ . 1 . ]" 1
293 2 14 LYS HA 2 15 LYS QB 4.000 . 6.000 4.740 4.155 5.047 . 0 0 "[ . 1 . ]" 1
294 2 14 LYS QB 2 15 LYS H 4.000 . 6.000 1.902 1.797 2.888 0.003 10 0 "[ . 1 . ]" 1
295 2 14 LYS QB 2 15 LYS QD 4.000 . 6.000 4.919 1.893 5.998 . 0 0 "[ . 1 . ]" 1
296 2 14 LYS QD 2 15 LYS HA 4.000 . 6.000 5.821 4.958 7.098 1.098 5 2 "[ - + 1 . ]" 1
297 2 14 LYS QG 2 15 LYS H 4.000 . 6.000 3.038 1.874 4.106 . 0 0 "[ . 1 . ]" 1
298 2 15 LYS H 2 15 LYS HA 3.000 . 3.300 2.958 2.574 3.000 . 0 0 "[ . 1 . ]" 1
299 2 15 LYS H 2 15 LYS QB 3.000 . 3.300 2.560 2.347 3.098 . 0 0 "[ . 1 . ]" 1
300 2 15 LYS H 2 15 LYS QG 3.000 . 3.300 3.065 2.001 3.384 0.084 8 0 "[ . 1 . ]" 1
301 2 15 LYS HA 2 16 PRO QD 3.000 . 4.300 1.943 1.894 2.009 . 0 0 "[ . 1 . ]" 1
302 2 15 LYS QB 2 16 PRO QD 3.000 . 4.300 2.892 2.448 3.159 . 0 0 "[ . 1 . ]" 1
303 2 15 LYS QG 2 16 PRO QD 3.000 . 4.300 3.455 2.758 4.179 . 0 0 "[ . 1 . ]" 1
304 2 16 PRO HA 2 16 PRO QD 4.000 . 6.000 3.411 3.387 3.425 . 0 0 "[ . 1 . ]" 1
305 2 16 PRO HA 2 17 ILE H 2.500 . 2.700 2.276 2.204 2.336 . 0 0 "[ . 1 . ]" 1
306 2 16 PRO QB 2 16 PRO QD 3.000 . 4.300 2.820 2.788 2.843 . 0 0 "[ . 1 . ]" 1
307 2 16 PRO QB 2 17 ILE H 3.000 . 4.300 3.442 2.891 3.817 . 0 0 "[ . 1 . ]" 1
308 2 16 PRO QB 2 17 ILE QG 4.000 . 6.000 4.397 4.022 4.682 . 0 0 "[ . 1 . ]" 1
309 2 16 PRO QD 2 17 ILE H 4.000 . 6.000 4.853 4.665 5.010 . 0 0 "[ . 1 . ]" 1
310 2 16 PRO QG 2 17 ILE H 4.000 . 6.000 4.665 4.417 4.790 . 0 0 "[ . 1 . ]" 1
311 2 17 ILE H 2 17 ILE HA 3.000 . 3.300 2.967 2.919 2.993 . 0 0 "[ . 1 . ]" 1
312 2 17 ILE H 2 17 ILE HB 3.000 . 3.300 2.856 2.564 3.542 0.242 10 0 "[ . 1 . ]" 1
313 2 17 ILE H 2 17 ILE MD 3.000 . 4.300 2.759 1.833 3.768 . 0 0 "[ . 1 . ]" 1
314 2 17 ILE H 2 17 ILE QG 3.000 . 4.300 2.225 1.744 2.424 0.056 6 0 "[ . 1 . ]" 1
315 2 17 ILE H 2 17 ILE MG 3.000 . 4.300 3.662 2.985 3.934 . 0 0 "[ . 1 . ]" 1
316 2 17 ILE H 2 18 TYR H 4.000 . 5.000 4.511 4.400 4.642 . 0 0 "[ . 1 . ]" 1
317 2 17 ILE HA 2 17 ILE HB 2.500 . 2.700 2.937 2.634 3.014 0.314 1 0 "[ . 1 . ]" 1
318 2 17 ILE HA 2 17 ILE MD 3.000 . 4.300 3.852 3.649 4.129 . 0 0 "[ . 1 . ]" 1
319 2 17 ILE HA 2 18 TYR H 2.500 . 2.700 2.592 2.398 2.697 . 0 0 "[ . 1 . ]" 1
320 2 17 ILE MD 2 17 ILE MG 3.000 . 4.300 2.552 1.903 3.025 . 0 0 "[ . 1 . ]" 1
321 2 17 ILE MD 2 18 TYR H 3.000 . 4.300 4.484 4.249 4.757 0.457 5 0 "[ . 1 . ]" 1
322 2 17 ILE QG 2 17 ILE MG 3.000 . 4.300 2.042 1.893 2.267 . 0 0 "[ . 1 . ]" 1
323 2 17 ILE QG 2 18 TYR H 3.000 . 4.300 2.112 1.802 3.331 . 0 0 "[ . 1 . ]" 1
324 2 18 TYR H 2 18 TYR HA 3.000 . 3.300 2.936 2.902 3.002 . 0 0 "[ . 1 . ]" 1
325 2 18 TYR H 2 18 TYR QB 2.500 . 3.700 2.711 2.384 2.835 . 0 0 "[ . 1 . ]" 1
326 2 18 TYR H 2 18 TYR QD 3.000 . 4.300 4.186 3.973 4.433 0.133 5 0 "[ . 1 . ]" 1
327 2 18 TYR H 2 19 LYS H 4.000 . 5.000 3.180 2.627 3.988 . 0 0 "[ . 1 . ]" 1
328 2 18 TYR HA 2 19 LYS H 3.000 . 3.300 2.476 2.239 2.663 . 0 0 "[ . 1 . ]" 1
329 2 18 TYR QB 2 18 TYR QE 4.000 . 6.000 3.979 3.962 3.993 . 0 0 "[ . 1 . ]" 1
330 2 19 LYS H 2 19 LYS HA 3.000 . 3.300 2.979 2.933 3.003 . 0 0 "[ . 1 . ]" 1
331 2 19 LYS H 2 19 LYS QD 4.000 . 6.000 4.372 3.492 4.920 . 0 0 "[ . 1 . ]" 1
332 2 19 LYS H 2 19 LYS QG 4.000 . 6.000 3.928 2.343 4.299 . 0 0 "[ . 1 . ]" 1
333 2 19 LYS H 2 20 LYS H 4.000 . 5.000 4.326 3.735 4.502 . 0 0 "[ . 1 . ]" 1
334 2 19 LYS HA 2 20 LYS H 4.000 . 5.000 2.375 2.234 2.836 . 0 0 "[ . 1 . ]" 1
335 2 19 LYS HA 2 20 LYS QB 4.000 . 6.000 3.809 3.572 4.121 . 0 0 "[ . 1 . ]" 1
336 2 20 LYS H 2 20 LYS HA 2.500 . 2.700 2.823 2.810 2.845 0.145 15 0 "[ . 1 . ]" 1
337 2 20 LYS H 2 20 LYS QB 3.000 . 4.300 2.873 1.945 2.958 . 0 0 "[ . 1 . ]" 1
338 2 20 LYS H 2 20 LYS QD 2.500 . 3.700 4.935 4.004 5.278 1.578 2 15 [*+**.**-********] 1
339 2 20 LYS H 2 20 LYS QG 3.000 . 4.300 4.040 3.110 4.458 0.158 5 0 "[ . 1 . ]" 1
340 2 20 LYS HA 2 20 LYS QB 2.500 . 3.700 2.498 2.272 2.550 . 0 0 "[ . 1 . ]" 1
341 2 20 LYS HA 2 21 ALA H 2.500 . 2.700 2.398 2.217 2.706 0.006 13 0 "[ . 1 . ]" 1
342 2 20 LYS HA 2 21 ALA MB 4.000 . 6.000 3.960 3.740 4.308 . 0 0 "[ . 1 . ]" 1
343 2 20 LYS QB 2 21 ALA H 4.000 . 6.000 3.381 2.171 4.051 . 0 0 "[ . 1 . ]" 1
344 2 20 LYS QG 2 21 ALA H 4.000 . 6.000 3.401 2.605 4.380 . 0 0 "[ . 1 . ]" 1
345 2 21 ALA H 2 21 ALA HA 3.000 . 3.300 2.953 2.889 3.003 . 0 0 "[ . 1 . ]" 1
346 2 21 ALA H 2 21 ALA MB 2.500 . 2.700 2.484 2.048 2.751 0.051 13 0 "[ . 1 . ]" 1
347 2 21 ALA HA 2 22 PRO QG 4.000 . 6.000 3.938 3.813 4.235 . 0 0 "[ . 1 . ]" 1
348 2 22 PRO HA 2 22 PRO QD 4.000 . 6.000 3.418 3.414 3.419 . 0 0 "[ . 1 . ]" 1
349 2 22 PRO HA 2 22 PRO QG 3.000 . 4.300 3.514 3.513 3.515 . 0 0 "[ . 1 . ]" 1
350 2 22 PRO HA 2 23 THR H 2.500 . 2.700 2.551 2.231 2.739 0.039 1 0 "[ . 1 . ]" 1
351 2 22 PRO QB 2 23 THR H 4.000 . 6.000 3.052 2.034 4.018 . 0 0 "[ . 1 . ]" 1
352 2 22 PRO QG 2 23 THR H 4.000 . 6.000 4.266 3.713 4.784 . 0 0 "[ . 1 . ]" 1
353 2 23 THR H 2 23 THR HA 2.500 . 2.700 2.758 2.376 2.909 0.209 1 0 "[ . 1 . ]" 1
354 2 23 THR H 2 23 THR HG1 4.000 . 6.000 2.744 1.834 3.692 . 0 0 "[ . 1 . ]" 1
355 2 23 THR H 2 24 ASN H 4.000 . 5.000 4.212 2.905 4.705 . 0 0 "[ . 1 . ]" 1
356 2 23 THR HA 2 23 THR HG1 3.000 . 4.300 2.295 1.917 2.932 . 0 0 "[ . 1 . ]" 1
357 2 23 THR HA 2 24 ASN H 4.000 . 5.000 2.511 2.212 3.512 . 0 0 "[ . 1 . ]" 1
358 2 23 THR HB 2 24 ASN H 4.000 . 6.000 3.751 2.892 4.514 . 0 0 "[ . 1 . ]" 1
359 2 23 THR HG1 2 24 ASN HA 4.000 . 6.000 4.034 3.018 5.326 . 0 0 "[ . 1 . ]" 1
360 2 24 ASN H 2 24 ASN QB 3.000 . 4.300 2.492 1.956 2.920 . 0 0 "[ . 1 . ]" 1
361 2 24 ASN H 2 25 GLU QB 4.000 . 6.000 4.724 3.210 5.814 . 0 0 "[ . 1 . ]" 1
362 2 24 ASN H 2 25 GLU QG 4.000 . 6.000 5.431 4.541 6.034 0.034 9 0 "[ . 1 . ]" 1
363 2 24 ASN HA 2 25 GLU H 3.000 . 3.300 2.412 2.219 2.876 . 0 0 "[ . 1 . ]" 1
364 2 24 ASN QB 2 25 GLU H 4.000 . 6.000 3.323 2.565 4.066 . 0 0 "[ . 1 . ]" 1
365 2 25 GLU H 2 25 GLU HA 3.000 . 3.300 2.944 2.907 3.001 . 0 0 "[ . 1 . ]" 1
366 2 25 GLU HA 2 26 PHE H 3.000 . 3.300 2.763 2.260 3.466 0.166 16 0 "[ . 1 . ]" 1
367 2 26 PHE H 2 26 PHE QB 3.000 . 4.300 2.499 1.951 2.925 . 0 0 "[ . 1 . ]" 1
368 2 26 PHE H 2 26 PHE QD 4.000 . 6.000 3.820 1.825 4.540 . 0 0 "[ . 1 . ]" 1
369 2 26 PHE H 2 27 TYR H 4.000 . 5.000 4.278 3.166 4.677 . 0 0 "[ . 1 . ]" 1
370 2 26 PHE HA 2 27 TYR H 2.500 . 2.700 2.436 2.221 2.810 0.110 1 0 "[ . 1 . ]" 1
371 2 26 PHE QB 2 26 PHE QE 4.000 . 6.000 3.971 3.962 3.995 . 0 0 "[ . 1 . ]" 1
372 2 26 PHE QD 2 27 TYR H 4.000 . 6.000 3.004 1.889 4.443 . 0 0 "[ . 1 . ]" 1
373 2 27 TYR H 2 28 ALA H 4.000 . 5.000 3.183 1.882 4.444 . 0 0 "[ . 1 . ]" 1
374 2 27 TYR HA 2 28 ALA H 4.000 . 5.000 3.070 2.244 3.582 . 0 0 "[ . 1 . ]" 1
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