NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
400573 |
1uzc   |
5537 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1uzc
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 1491
_Distance_constraint_stats_list.Viol_count 838
_Distance_constraint_stats_list.Viol_total 750.177
_Distance_constraint_stats_list.Viol_max 0.171
_Distance_constraint_stats_list.Viol_rms 0.0077
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0010
_Distance_constraint_stats_list.Viol_average_violations_only 0.0389
_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 3 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 5 ALA 0.220 0.074 19 0 "[ . 1 . 2 ]"
1 6 LYS 0.482 0.074 19 0 "[ . 1 . 2 ]"
1 7 LYS 0.263 0.072 11 0 "[ . 1 . 2 ]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 9 TYR 0.458 0.078 12 0 "[ . 1 . 2 ]"
1 10 THR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 11 TRP 3.316 0.098 1 0 "[ . 1 . 2 ]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 13 THR 0.316 0.171 7 0 "[ . 1 . 2 ]"
1 14 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 15 GLU 1.637 0.073 2 0 "[ . 1 . 2 ]"
1 16 GLU 3.349 0.171 7 0 "[ . 1 . 2 ]"
1 17 ALA 2.169 0.073 16 0 "[ . 1 . 2 ]"
1 18 LYS 0.800 0.047 19 0 "[ . 1 . 2 ]"
1 19 GLN 0.832 0.047 19 0 "[ . 1 . 2 ]"
1 20 ALA 3.624 0.098 1 0 "[ . 1 . 2 ]"
1 21 PHE 1.276 0.062 3 0 "[ . 1 . 2 ]"
1 22 LYS 0.045 0.032 18 0 "[ . 1 . 2 ]"
1 23 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 24 LEU 3.860 0.133 6 0 "[ . 1 . 2 ]"
1 25 LEU 3.634 0.108 20 0 "[ . 1 . 2 ]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 27 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 28 LYS 2.148 0.084 10 0 "[ . 1 . 2 ]"
1 29 ARG 0.364 0.040 18 0 "[ . 1 . 2 ]"
1 30 VAL 0.254 0.033 1 0 "[ . 1 . 2 ]"
1 31 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 32 SER 0.023 0.012 19 0 "[ . 1 . 2 ]"
1 33 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 34 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 35 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 36 TRP 1.973 0.135 12 0 "[ . 1 . 2 ]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 GLN 0.162 0.025 4 0 "[ . 1 . 2 ]"
1 39 ALA 0.017 0.017 10 0 "[ . 1 . 2 ]"
1 40 MET 0.366 0.046 12 0 "[ . 1 . 2 ]"
1 41 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 42 MET 0.300 0.046 12 0 "[ . 1 . 2 ]"
1 43 ILE 1.451 0.086 12 0 "[ . 1 . 2 ]"
1 44 ILE 0.600 0.109 8 0 "[ . 1 . 2 ]"
1 45 ASN 0.491 0.071 14 0 "[ . 1 . 2 ]"
1 46 ASP 1.889 0.133 6 0 "[ . 1 . 2 ]"
1 47 PRO 0.668 0.061 18 0 "[ . 1 . 2 ]"
1 48 ARG 2.050 0.120 16 0 "[ . 1 . 2 ]"
1 49 TYR 0.850 0.040 6 0 "[ . 1 . 2 ]"
1 50 SER 0.613 0.040 6 0 "[ . 1 . 2 ]"
1 51 ALA 0.973 0.090 20 0 "[ . 1 . 2 ]"
1 52 LEU 3.042 0.143 2 0 "[ . 1 . 2 ]"
1 53 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 54 LYS 0.007 0.007 1 0 "[ . 1 . 2 ]"
1 55 LEU 4.203 0.157 14 0 "[ . 1 . 2 ]"
1 56 SER 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 GLU 0.078 0.047 20 0 "[ . 1 . 2 ]"
1 58 LYS 4.100 0.143 2 0 "[ . 1 . 2 ]"
1 59 LYS 1.283 0.157 14 0 "[ . 1 . 2 ]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 61 ALA 0.462 0.062 3 0 "[ . 1 . 2 ]"
1 62 PHE 2.119 0.108 20 0 "[ . 1 . 2 ]"
1 63 ASN 1.441 0.067 23 0 "[ . 1 . 2 ]"
1 64 ALA 1.587 0.067 23 0 "[ . 1 . 2 ]"
1 65 TYR 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 66 LYS 0.795 0.043 11 0 "[ . 1 . 2 ]"
1 67 VAL 0.245 0.041 19 0 "[ . 1 . 2 ]"
1 68 GLN 0.311 0.041 19 0 "[ . 1 . 2 ]"
1 69 THR 0.126 0.043 11 0 "[ . 1 . 2 ]"
1 70 GLU 0.227 0.073 5 0 "[ . 1 . 2 ]"
1 71 LYS 0.227 0.073 5 0 "[ . 1 . 2 ]"
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 6 LYS H 1 6 LYS HA 3.000 . 3.500 2.764 2.364 3.003 . 0 0 "[ . 1 . 2 ]" 1
2 1 6 LYS QB 1 6 LYS QD 3.000 . 3.500 2.079 1.898 2.366 . 0 0 "[ . 1 . 2 ]" 1
3 1 6 LYS QE 1 6 LYS QG 3.000 . 3.500 2.154 1.939 2.367 . 0 0 "[ . 1 . 2 ]" 1
4 1 7 LYS H 1 7 LYS HA 3.000 . 3.500 2.970 2.914 3.001 . 0 0 "[ . 1 . 2 ]" 1
5 1 8 THR H 1 8 THR HB 4.000 . 4.750 2.365 2.197 2.694 . 0 0 "[ . 1 . 2 ]" 1
6 1 8 THR HA 1 8 THR HB 3.000 . 3.500 3.029 3.003 3.037 . 0 0 "[ . 1 . 2 ]" 1
7 1 9 TYR H 1 9 TYR QD 4.000 . 4.750 2.465 1.873 2.903 . 0 0 "[ . 1 . 2 ]" 1
8 1 9 TYR HA 1 9 TYR QD 4.000 . 4.750 2.529 2.109 3.260 . 0 0 "[ . 1 . 2 ]" 1
9 1 9 TYR HA 1 9 TYR QE 5.000 . 6.000 4.406 4.121 5.067 . 0 0 "[ . 1 . 2 ]" 1
10 1 10 THR H 1 10 THR HB 4.000 . 4.750 3.713 3.466 3.806 . 0 0 "[ . 1 . 2 ]" 1
11 1 10 THR HA 1 10 THR HB 3.000 . 3.500 2.526 2.403 2.710 . 0 0 "[ . 1 . 2 ]" 1
12 1 11 TRP H 1 11 TRP HD1 5.000 . 6.000 5.233 5.017 5.320 . 0 0 "[ . 1 . 2 ]" 1
13 1 11 TRP H 1 11 TRP HE3 4.000 . 4.750 2.713 2.337 2.983 . 0 0 "[ . 1 . 2 ]" 1
14 1 11 TRP HA 1 11 TRP HD1 5.000 . 6.000 3.033 2.952 3.115 . 0 0 "[ . 1 . 2 ]" 1
15 1 11 TRP HA 1 11 TRP HE3 5.000 . 6.000 4.333 4.226 4.466 . 0 0 "[ . 1 . 2 ]" 1
16 1 11 TRP QB 1 11 TRP HD1 3.000 . 3.500 2.607 2.582 2.620 . 0 0 "[ . 1 . 2 ]" 1
17 1 11 TRP QB 1 11 TRP HE3 3.000 . 3.500 2.582 2.553 2.619 . 0 0 "[ . 1 . 2 ]" 1
18 1 11 TRP QB 1 11 TRP HZ3 5.000 . 6.000 4.854 4.828 4.884 . 0 0 "[ . 1 . 2 ]" 1
19 1 12 ASN H 1 12 ASN HA 3.000 . 3.500 2.997 2.981 3.003 . 0 0 "[ . 1 . 2 ]" 1
20 1 12 ASN H 1 12 ASN QB 3.000 . 3.500 2.408 2.118 3.023 . 0 0 "[ . 1 . 2 ]" 1
21 1 12 ASN H 1 12 ASN QD 5.000 . 6.000 4.082 2.367 4.940 . 0 0 "[ . 1 . 2 ]" 1
22 1 13 THR HA 1 13 THR HB 3.000 . 3.500 2.539 2.340 2.747 . 0 0 "[ . 1 . 2 ]" 1
23 1 14 LYS HA 1 14 LYS QG 3.000 . 3.500 2.271 1.908 2.839 . 0 0 "[ . 1 . 2 ]" 1
24 1 14 LYS HA 1 14 LYS QD 4.000 . 4.750 2.810 1.903 3.940 . 0 0 "[ . 1 . 2 ]" 1
25 1 14 LYS QB 1 14 LYS QD 3.000 . 3.500 2.109 1.886 2.611 . 0 0 "[ . 1 . 2 ]" 1
26 1 14 LYS QE 1 14 LYS QG 3.000 . 3.500 2.100 1.902 2.446 . 0 0 "[ . 1 . 2 ]" 1
27 1 15 GLU H 1 15 GLU HA 3.000 . 3.500 2.861 2.829 2.883 . 0 0 "[ . 1 . 2 ]" 1
28 1 15 GLU H 1 15 GLU QB 3.000 . 3.500 2.120 2.072 2.159 . 0 0 "[ . 1 . 2 ]" 1
29 1 15 GLU H 1 15 GLU QG 4.000 . 4.750 3.866 3.812 3.918 . 0 0 "[ . 1 . 2 ]" 1
30 1 15 GLU HA 1 15 GLU QG 3.000 . 3.500 2.619 2.444 3.125 . 0 0 "[ . 1 . 2 ]" 1
31 1 16 GLU H 1 16 GLU HA 3.000 . 3.500 2.860 2.845 2.883 . 0 0 "[ . 1 . 2 ]" 1
32 1 16 GLU H 1 16 GLU QB 3.000 . 3.500 2.203 1.988 2.352 . 0 0 "[ . 1 . 2 ]" 1
33 1 16 GLU H 1 16 GLU QG 3.000 . 3.500 2.388 1.982 2.983 . 0 0 "[ . 1 . 2 ]" 1
34 1 16 GLU HA 1 16 GLU QG 3.000 . 3.500 2.386 1.988 2.887 . 0 0 "[ . 1 . 2 ]" 1
35 1 17 ALA H 1 17 ALA HA 3.000 . 3.500 2.861 2.835 2.891 . 0 0 "[ . 1 . 2 ]" 1
36 1 17 ALA H 1 17 ALA MB 3.000 . 3.500 1.936 1.893 1.992 . 0 0 "[ . 1 . 2 ]" 1
37 1 18 LYS H 1 18 LYS HA 3.000 . 3.500 2.875 2.866 2.887 . 0 0 "[ . 1 . 2 ]" 1
38 1 18 LYS H 1 18 LYS HB3 3.000 . 3.500 2.823 2.760 2.844 . 0 0 "[ . 1 . 2 ]" 1
39 1 18 LYS H 1 18 LYS HB2 3.000 . 3.500 2.096 2.072 2.133 . 0 0 "[ . 1 . 2 ]" 1
40 1 18 LYS H 1 18 LYS QG 4.000 . 4.750 3.826 3.770 3.928 . 0 0 "[ . 1 . 2 ]" 1
41 1 18 LYS H 1 18 LYS QD 5.000 . 6.000 4.097 3.728 4.499 . 0 0 "[ . 1 . 2 ]" 1
42 1 18 LYS HA 1 18 LYS HB3 3.000 . 3.500 2.994 2.992 3.006 . 0 0 "[ . 1 . 2 ]" 1
43 1 18 LYS HA 1 18 LYS HB2 3.000 . 3.500 2.677 2.648 2.685 . 0 0 "[ . 1 . 2 ]" 1
44 1 18 LYS HA 1 18 LYS QG 3.000 . 3.500 2.108 2.021 2.252 . 0 0 "[ . 1 . 2 ]" 1
45 1 18 LYS HA 1 18 LYS QD 4.000 . 4.750 3.703 2.858 4.025 . 0 0 "[ . 1 . 2 ]" 1
46 1 18 LYS HA 1 18 LYS QE 5.000 . 6.000 4.257 2.755 4.694 . 0 0 "[ . 1 . 2 ]" 1
47 1 18 LYS HB3 1 18 LYS QG 2.500 . 2.800 2.273 2.161 2.454 . 0 0 "[ . 1 . 2 ]" 1
48 1 18 LYS HB3 1 18 LYS QD 3.000 . 3.500 2.686 2.257 3.101 . 0 0 "[ . 1 . 2 ]" 1
49 1 18 LYS HB2 1 18 LYS QG 2.500 . 2.800 2.455 2.281 2.539 . 0 0 "[ . 1 . 2 ]" 1
50 1 18 LYS HB2 1 18 LYS QD 3.000 . 3.500 2.232 1.963 2.628 . 0 0 "[ . 1 . 2 ]" 1
51 1 18 LYS HB2 1 18 LYS QE 4.000 . 4.750 3.530 1.969 4.142 . 0 0 "[ . 1 . 2 ]" 1
52 1 19 GLN H 1 19 GLN HA 3.000 . 3.500 2.874 2.867 2.885 . 0 0 "[ . 1 . 2 ]" 1
53 1 19 GLN H 1 19 GLN QB 3.000 . 3.500 2.132 2.049 2.174 . 0 0 "[ . 1 . 2 ]" 1
54 1 19 GLN H 1 19 GLN QG 4.000 . 4.750 3.890 3.777 3.983 . 0 0 "[ . 1 . 2 ]" 1
55 1 20 ALA H 1 20 ALA HA 3.000 . 3.500 2.881 2.858 2.902 . 0 0 "[ . 1 . 2 ]" 1
56 1 20 ALA H 1 20 ALA MB 3.000 . 3.500 1.982 1.928 2.060 . 0 0 "[ . 1 . 2 ]" 1
57 1 21 PHE H 1 21 PHE HA 3.000 . 3.500 2.890 2.868 2.909 . 0 0 "[ . 1 . 2 ]" 1
58 1 21 PHE H 1 21 PHE HB3 3.000 . 3.500 2.695 2.528 2.845 . 0 0 "[ . 1 . 2 ]" 1
59 1 21 PHE H 1 21 PHE HB2 3.000 . 3.500 2.226 2.072 2.402 . 0 0 "[ . 1 . 2 ]" 1
60 1 21 PHE H 1 21 PHE QD 4.000 . 4.750 4.012 3.812 4.144 . 0 0 "[ . 1 . 2 ]" 1
61 1 21 PHE HA 1 21 PHE HB3 3.000 . 3.500 3.014 2.989 3.033 . 0 0 "[ . 1 . 2 ]" 1
62 1 21 PHE HA 1 21 PHE HB2 3.000 . 3.500 2.612 2.529 2.692 . 0 0 "[ . 1 . 2 ]" 1
63 1 21 PHE HA 1 21 PHE QD 3.000 . 3.500 2.828 2.483 3.021 . 0 0 "[ . 1 . 2 ]" 1
64 1 21 PHE HA 1 21 PHE QE 5.000 . 6.000 4.442 4.260 4.551 . 0 0 "[ . 1 . 2 ]" 1
65 1 21 PHE HB3 1 21 PHE QD 3.000 . 3.500 2.407 2.329 2.486 . 0 0 "[ . 1 . 2 ]" 1
66 1 21 PHE HB2 1 21 PHE QD 3.000 . 3.500 2.436 2.357 2.562 . 0 0 "[ . 1 . 2 ]" 1
67 1 22 LYS H 1 22 LYS HA 3.000 . 3.500 2.890 2.875 2.903 . 0 0 "[ . 1 . 2 ]" 1
68 1 22 LYS H 1 22 LYS QB 3.000 . 3.500 2.025 1.919 2.121 . 0 0 "[ . 1 . 2 ]" 1
69 1 22 LYS H 1 22 LYS QG 3.000 . 3.500 2.895 2.573 3.260 . 0 0 "[ . 1 . 2 ]" 1
70 1 22 LYS H 1 22 LYS QD 5.000 . 6.000 4.157 3.512 4.644 . 0 0 "[ . 1 . 2 ]" 1
71 1 22 LYS HA 1 22 LYS QG 3.000 . 3.500 2.411 1.935 3.091 . 0 0 "[ . 1 . 2 ]" 1
72 1 22 LYS HA 1 22 LYS QD 4.000 . 4.750 3.920 3.349 4.274 . 0 0 "[ . 1 . 2 ]" 1
73 1 22 LYS HA 1 22 LYS QE 5.000 . 6.000 4.605 3.832 5.332 . 0 0 "[ . 1 . 2 ]" 1
74 1 22 LYS QB 1 22 LYS QE 4.000 . 4.750 2.861 1.874 3.577 . 0 0 "[ . 1 . 2 ]" 1
75 1 22 LYS QE 1 22 LYS QG 3.000 . 3.500 2.160 1.904 2.664 . 0 0 "[ . 1 . 2 ]" 1
76 1 23 GLU H 1 23 GLU HA 3.000 . 3.500 2.861 2.853 2.877 . 0 0 "[ . 1 . 2 ]" 1
77 1 23 GLU H 1 23 GLU QB 3.000 . 3.500 2.119 2.018 2.179 . 0 0 "[ . 1 . 2 ]" 1
78 1 23 GLU H 1 23 GLU QG 4.000 . 4.750 3.820 2.679 4.005 . 0 0 "[ . 1 . 2 ]" 1
79 1 23 GLU HA 1 23 GLU QG 3.000 . 3.500 2.424 2.121 2.803 . 0 0 "[ . 1 . 2 ]" 1
80 1 24 LEU H 1 24 LEU HA 3.000 . 3.500 2.859 2.851 2.872 . 0 0 "[ . 1 . 2 ]" 1
81 1 24 LEU H 1 24 LEU HB3 3.000 . 3.500 2.339 2.210 2.510 . 0 0 "[ . 1 . 2 ]" 1
82 1 24 LEU H 1 24 LEU HB2 3.000 . 3.500 2.489 2.359 2.549 . 0 0 "[ . 1 . 2 ]" 1
83 1 24 LEU H 1 24 LEU HG 4.000 . 4.750 4.352 4.260 4.459 . 0 0 "[ . 1 . 2 ]" 1
84 1 24 LEU H 1 24 LEU MD1 5.000 . 6.000 3.990 3.899 4.037 . 0 0 "[ . 1 . 2 ]" 1
85 1 24 LEU H 1 24 LEU MD2 5.000 . 6.000 4.133 4.086 4.183 . 0 0 "[ . 1 . 2 ]" 1
86 1 24 LEU HA 1 24 LEU HB3 3.000 . 3.500 3.036 3.026 3.042 . 0 0 "[ . 1 . 2 ]" 1
87 1 24 LEU HA 1 24 LEU HB2 3.000 . 3.500 2.446 2.398 2.514 . 0 0 "[ . 1 . 2 ]" 1
88 1 24 LEU HA 1 24 LEU HG 3.000 . 3.500 3.271 3.166 3.325 . 0 0 "[ . 1 . 2 ]" 1
89 1 24 LEU HA 1 24 LEU MD1 4.000 . 4.750 1.844 1.790 1.907 0.010 14 0 "[ . 1 . 2 ]" 1
90 1 24 LEU HB3 1 24 LEU HG 3.000 . 3.500 2.402 2.365 2.446 . 0 0 "[ . 1 . 2 ]" 1
91 1 24 LEU HB2 1 24 LEU HG 3.000 . 3.500 3.021 3.013 3.028 . 0 0 "[ . 1 . 2 ]" 1
92 1 24 LEU HB2 1 24 LEU MD2 3.000 . 3.500 2.221 2.087 2.386 . 0 0 "[ . 1 . 2 ]" 1
93 1 25 LEU H 1 25 LEU HB3 4.000 . 4.750 3.440 3.433 3.450 . 0 0 "[ . 1 . 2 ]" 1
94 1 25 LEU H 1 25 LEU HB2 3.000 . 3.500 2.075 2.064 2.089 . 0 0 "[ . 1 . 2 ]" 1
95 1 25 LEU H 1 25 LEU HG 3.000 . 3.500 3.110 3.057 3.193 . 0 0 "[ . 1 . 2 ]" 1
96 1 25 LEU H 1 25 LEU MD1 4.000 . 4.750 2.629 2.454 2.813 . 0 0 "[ . 1 . 2 ]" 1
97 1 25 LEU H 1 25 LEU MD2 5.000 . 6.000 4.185 4.170 4.221 . 0 0 "[ . 1 . 2 ]" 1
98 1 25 LEU HA 1 25 LEU HB3 3.000 . 3.500 2.689 2.680 2.697 . 0 0 "[ . 1 . 2 ]" 1
99 1 25 LEU HA 1 25 LEU HB2 3.000 . 3.500 2.987 2.982 2.992 . 0 0 "[ . 1 . 2 ]" 1
100 1 25 LEU HA 1 25 LEU HG 3.000 . 3.500 2.083 2.057 2.133 . 0 0 "[ . 1 . 2 ]" 1
101 1 25 LEU HA 1 25 LEU MD2 4.000 . 4.750 2.901 2.792 3.004 . 0 0 "[ . 1 . 2 ]" 1
102 1 25 LEU HB3 1 25 LEU HG 3.000 . 3.500 2.882 2.853 2.913 . 0 0 "[ . 1 . 2 ]" 1
103 1 25 LEU HB2 1 25 LEU HG 2.500 . 2.800 2.824 2.794 2.850 0.050 8 0 "[ . 1 . 2 ]" 1
104 1 25 LEU HB2 1 25 LEU MD1 3.000 . 3.500 2.088 1.926 2.139 . 0 0 "[ . 1 . 2 ]" 1
105 1 26 LYS H 1 26 LYS HA 3.000 . 3.500 2.863 2.849 2.879 . 0 0 "[ . 1 . 2 ]" 1
106 1 26 LYS H 1 26 LYS QB 3.000 . 3.500 2.040 1.929 2.159 . 0 0 "[ . 1 . 2 ]" 1
107 1 26 LYS H 1 26 LYS QG 4.000 . 4.750 3.763 3.423 3.917 . 0 0 "[ . 1 . 2 ]" 1
108 1 26 LYS HA 1 26 LYS QG 3.000 . 3.500 2.121 1.946 2.294 . 0 0 "[ . 1 . 2 ]" 1
109 1 26 LYS HA 1 26 LYS QD 4.000 . 4.750 3.597 2.520 3.988 . 0 0 "[ . 1 . 2 ]" 1
110 1 26 LYS HA 1 26 LYS QE 5.000 . 6.000 4.288 3.136 4.865 . 0 0 "[ . 1 . 2 ]" 1
111 1 26 LYS QB 1 26 LYS QD 3.000 . 3.500 2.039 1.886 2.177 . 0 0 "[ . 1 . 2 ]" 1
112 1 26 LYS QB 1 26 LYS QE 4.000 . 4.750 3.179 2.197 3.686 . 0 0 "[ . 1 . 2 ]" 1
113 1 27 GLU H 1 27 GLU HA 3.000 . 3.500 2.885 2.873 2.899 . 0 0 "[ . 1 . 2 ]" 1
114 1 27 GLU H 1 27 GLU QB 3.000 . 3.500 2.094 1.926 2.429 . 0 0 "[ . 1 . 2 ]" 1
115 1 27 GLU H 1 27 GLU QG 4.000 . 4.750 3.492 2.072 4.018 . 0 0 "[ . 1 . 2 ]" 1
116 1 27 GLU HA 1 27 GLU QG 3.000 . 3.500 2.295 1.928 2.756 . 0 0 "[ . 1 . 2 ]" 1
117 1 28 LYS H 1 28 LYS HB3 3.000 . 3.500 3.409 3.399 3.417 . 0 0 "[ . 1 . 2 ]" 1
118 1 28 LYS H 1 28 LYS HB2 3.000 . 3.500 2.051 2.032 2.066 . 0 0 "[ . 1 . 2 ]" 1
119 1 28 LYS H 1 28 LYS QG 4.000 . 4.750 3.580 3.528 3.626 . 0 0 "[ . 1 . 2 ]" 1
120 1 28 LYS H 1 28 LYS QD 3.000 . 3.500 2.150 2.032 2.333 . 0 0 "[ . 1 . 2 ]" 1
121 1 28 LYS HA 1 28 LYS HB3 3.000 . 3.500 2.693 2.686 2.714 . 0 0 "[ . 1 . 2 ]" 1
122 1 28 LYS HA 1 28 LYS HB2 3.000 . 3.500 2.985 2.977 2.992 . 0 0 "[ . 1 . 2 ]" 1
123 1 28 LYS HA 1 28 LYS QG 3.000 . 3.500 2.198 2.099 2.311 . 0 0 "[ . 1 . 2 ]" 1
124 1 28 LYS HA 1 28 LYS QD 3.000 . 3.500 2.699 2.376 2.910 . 0 0 "[ . 1 . 2 ]" 1
125 1 28 LYS HA 1 28 LYS QE 5.000 . 6.000 3.624 2.649 4.077 . 0 0 "[ . 1 . 2 ]" 1
126 1 28 LYS HB3 1 28 LYS QG 2.500 . 2.800 2.191 2.188 2.197 . 0 0 "[ . 1 . 2 ]" 1
127 1 28 LYS HB2 1 28 LYS QG 2.500 . 2.800 2.421 2.372 2.464 . 0 0 "[ . 1 . 2 ]" 1
128 1 28 LYS HB2 1 28 LYS QD 3.000 . 3.500 2.346 2.248 2.458 . 0 0 "[ . 1 . 2 ]" 1
129 1 28 LYS QE 1 28 LYS QG 3.000 . 3.500 2.213 1.979 2.475 . 0 0 "[ . 1 . 2 ]" 1
130 1 29 ARG H 1 29 ARG HA 2.500 . 2.800 2.356 2.350 2.363 . 0 0 "[ . 1 . 2 ]" 1
131 1 29 ARG H 1 29 ARG QB 3.000 . 3.500 3.060 2.791 3.149 . 0 0 "[ . 1 . 2 ]" 1
132 1 29 ARG H 1 29 ARG QG 3.000 . 3.500 2.906 2.398 3.159 . 0 0 "[ . 1 . 2 ]" 1
133 1 29 ARG H 1 29 ARG QD 5.000 . 6.000 4.237 3.046 4.871 . 0 0 "[ . 1 . 2 ]" 1
134 1 29 ARG HA 1 29 ARG QG 3.000 . 3.500 2.282 1.965 3.273 . 0 0 "[ . 1 . 2 ]" 1
135 1 29 ARG HA 1 29 ARG QD 4.000 . 4.750 3.270 1.866 4.249 . 0 0 "[ . 1 . 2 ]" 1
136 1 29 ARG QB 1 29 ARG QD 3.000 . 3.500 2.137 1.920 2.348 . 0 0 "[ . 1 . 2 ]" 1
137 1 30 VAL H 1 30 VAL HA 3.000 . 3.500 2.864 2.809 2.898 . 0 0 "[ . 1 . 2 ]" 1
138 1 30 VAL H 1 30 VAL HB 3.000 . 3.500 2.463 2.322 2.722 . 0 0 "[ . 1 . 2 ]" 1
139 1 30 VAL H 1 30 VAL MG2 4.000 . 4.750 2.066 1.810 2.311 . 0 0 "[ . 1 . 2 ]" 1
140 1 30 VAL HA 1 30 VAL HB 3.000 . 3.500 3.035 3.023 3.042 . 0 0 "[ . 1 . 2 ]" 1
141 1 32 SER H 1 32 SER HA 3.000 . 3.500 2.902 2.894 2.913 . 0 0 "[ . 1 . 2 ]" 1
142 1 32 SER H 1 32 SER QB 3.000 . 3.500 2.237 1.941 2.602 . 0 0 "[ . 1 . 2 ]" 1
143 1 32 SER HA 1 32 SER QB 2.500 . 2.800 2.260 2.173 2.516 . 0 0 "[ . 1 . 2 ]" 1
144 1 33 ASN H 1 33 ASN HB3 4.000 . 4.750 2.837 2.607 3.119 . 0 0 "[ . 1 . 2 ]" 1
145 1 33 ASN H 1 33 ASN HB2 4.000 . 4.750 3.691 3.619 3.728 . 0 0 "[ . 1 . 2 ]" 1
146 1 33 ASN HA 1 33 ASN HB3 3.000 . 3.500 2.509 2.383 2.648 . 0 0 "[ . 1 . 2 ]" 1
147 1 33 ASN HA 1 33 ASN HB2 3.000 . 3.500 2.445 2.327 2.579 . 0 0 "[ . 1 . 2 ]" 1
148 1 34 ALA H 1 34 ALA MB 3.000 . 3.500 2.144 2.085 2.178 . 0 0 "[ . 1 . 2 ]" 1
149 1 35 SER H 1 35 SER QB 3.000 . 3.500 2.417 2.359 2.523 . 0 0 "[ . 1 . 2 ]" 1
150 1 36 TRP H 1 36 TRP HB3 4.000 . 4.750 2.438 2.386 2.474 . 0 0 "[ . 1 . 2 ]" 1
151 1 36 TRP H 1 36 TRP HB2 4.000 . 4.750 2.552 2.499 2.590 . 0 0 "[ . 1 . 2 ]" 1
152 1 36 TRP H 1 36 TRP HD1 5.000 . 6.000 4.995 4.939 5.035 . 0 0 "[ . 1 . 2 ]" 1
153 1 36 TRP H 1 36 TRP HE3 5.000 . 6.000 4.534 4.475 4.608 . 0 0 "[ . 1 . 2 ]" 1
154 1 36 TRP HA 1 36 TRP HB2 3.000 . 3.500 2.421 2.409 2.440 . 0 0 "[ . 1 . 2 ]" 1
155 1 36 TRP HA 1 36 TRP HD1 5.000 . 6.000 4.717 4.657 4.742 . 0 0 "[ . 1 . 2 ]" 1
156 1 36 TRP HA 1 36 TRP HE3 3.000 . 3.500 1.887 1.836 2.078 . 0 0 "[ . 1 . 2 ]" 1
157 1 36 TRP HB3 1 36 TRP HD1 3.000 . 3.500 2.563 2.545 2.579 . 0 0 "[ . 1 . 2 ]" 1
158 1 36 TRP HB3 1 36 TRP HE3 4.000 . 4.750 4.220 4.207 4.243 . 0 0 "[ . 1 . 2 ]" 1
159 1 36 TRP HB2 1 36 TRP HE3 3.000 . 3.500 3.191 3.068 3.235 . 0 0 "[ . 1 . 2 ]" 1
160 1 37 GLU H 1 37 GLU HA 3.000 . 3.500 2.871 2.869 2.875 . 0 0 "[ . 1 . 2 ]" 1
161 1 37 GLU H 1 37 GLU QB 3.000 . 3.500 2.177 1.929 2.518 . 0 0 "[ . 1 . 2 ]" 1
162 1 37 GLU H 1 37 GLU QG 4.000 . 4.750 2.554 1.868 3.248 . 0 0 "[ . 1 . 2 ]" 1
163 1 38 GLN H 1 38 GLN HA 3.000 . 3.500 2.891 2.880 2.905 . 0 0 "[ . 1 . 2 ]" 1
164 1 38 GLN H 1 38 GLN HB3 3.000 . 3.500 3.485 3.424 3.525 0.025 4 0 "[ . 1 . 2 ]" 1
165 1 38 GLN H 1 38 GLN HB2 3.000 . 3.500 2.194 2.051 2.376 . 0 0 "[ . 1 . 2 ]" 1
166 1 38 GLN H 1 38 GLN QG 3.000 . 3.500 2.524 2.170 3.023 . 0 0 "[ . 1 . 2 ]" 1
167 1 38 GLN HA 1 38 GLN HB3 3.000 . 3.500 2.588 2.485 2.677 . 0 0 "[ . 1 . 2 ]" 1
168 1 38 GLN HA 1 38 GLN HB2 3.000 . 3.500 3.015 2.987 3.035 . 0 0 "[ . 1 . 2 ]" 1
169 1 38 GLN HA 1 38 GLN QG 3.000 . 3.500 2.287 2.046 2.721 . 0 0 "[ . 1 . 2 ]" 1
170 1 38 GLN HB2 1 38 GLN QG 2.500 . 2.800 2.242 2.166 2.537 . 0 0 "[ . 1 . 2 ]" 1
171 1 39 ALA H 1 39 ALA HA 3.000 . 3.500 2.878 2.866 2.887 . 0 0 "[ . 1 . 2 ]" 1
172 1 40 MET H 1 40 MET HA 3.000 . 3.500 2.858 2.825 2.891 . 0 0 "[ . 1 . 2 ]" 1
173 1 40 MET H 1 40 MET HB3 3.000 . 3.500 2.376 2.296 2.479 . 0 0 "[ . 1 . 2 ]" 1
174 1 40 MET H 1 40 MET HB2 3.000 . 3.500 2.526 2.402 2.627 . 0 0 "[ . 1 . 2 ]" 1
175 1 40 MET H 1 40 MET ME 5.000 . 6.000 4.782 4.396 4.993 . 0 0 "[ . 1 . 2 ]" 1
176 1 40 MET H 1 40 MET QG 4.000 . 4.750 3.948 3.909 3.996 . 0 0 "[ . 1 . 2 ]" 1
177 1 40 MET HA 1 40 MET HB2 3.000 . 3.500 2.433 2.405 2.467 . 0 0 "[ . 1 . 2 ]" 1
178 1 40 MET HA 1 40 MET ME 5.000 . 6.000 4.632 4.502 4.736 . 0 0 "[ . 1 . 2 ]" 1
179 1 40 MET HA 1 40 MET QG 3.000 . 3.500 2.418 2.321 2.472 . 0 0 "[ . 1 . 2 ]" 1
180 1 40 MET ME 1 40 MET QG 3.000 . 3.500 2.074 1.907 2.200 . 0 0 "[ . 1 . 2 ]" 1
181 1 41 LYS H 1 41 LYS HA 3.000 . 3.500 2.862 2.848 2.880 . 0 0 "[ . 1 . 2 ]" 1
182 1 41 LYS H 1 41 LYS QB 3.000 . 3.500 2.192 2.017 2.396 . 0 0 "[ . 1 . 2 ]" 1
183 1 41 LYS H 1 41 LYS QG 4.000 . 4.750 2.911 1.933 3.970 . 0 0 "[ . 1 . 2 ]" 1
184 1 41 LYS H 1 41 LYS QD 5.000 . 6.000 3.762 3.029 4.259 . 0 0 "[ . 1 . 2 ]" 1
185 1 41 LYS QB 1 41 LYS QD 3.000 . 3.500 2.115 1.874 2.439 . 0 0 "[ . 1 . 2 ]" 1
186 1 42 MET H 1 42 MET HA 3.000 . 3.500 2.838 2.831 2.845 . 0 0 "[ . 1 . 2 ]" 1
187 1 42 MET H 1 42 MET HB3 4.000 . 4.750 3.521 3.495 3.533 . 0 0 "[ . 1 . 2 ]" 1
188 1 42 MET H 1 42 MET HB2 3.000 . 3.500 2.355 2.199 2.452 . 0 0 "[ . 1 . 2 ]" 1
189 1 42 MET H 1 42 MET ME 5.000 . 6.000 4.391 4.220 4.530 . 0 0 "[ . 1 . 2 ]" 1
190 1 42 MET H 1 42 MET QG 3.000 . 3.500 2.195 1.973 2.510 . 0 0 "[ . 1 . 2 ]" 1
191 1 42 MET HA 1 42 MET HB3 3.000 . 3.500 2.529 2.477 2.620 . 0 0 "[ . 1 . 2 ]" 1
192 1 42 MET HA 1 42 MET HB2 3.000 . 3.500 3.033 3.018 3.038 . 0 0 "[ . 1 . 2 ]" 1
193 1 42 MET HA 1 42 MET ME 4.000 . 4.750 3.885 3.643 3.958 . 0 0 "[ . 1 . 2 ]" 1
194 1 42 MET HA 1 42 MET QG 3.000 . 3.500 2.386 2.273 2.508 . 0 0 "[ . 1 . 2 ]" 1
195 1 42 MET HB3 1 42 MET ME 4.000 . 4.750 1.931 1.844 2.087 . 0 0 "[ . 1 . 2 ]" 1
196 1 42 MET HB2 1 42 MET ME 4.000 . 4.750 2.744 2.406 2.934 . 0 0 "[ . 1 . 2 ]" 1
197 1 42 MET HB2 1 42 MET QG 2.500 . 2.800 2.199 2.165 2.432 . 0 0 "[ . 1 . 2 ]" 1
198 1 42 MET ME 1 42 MET QG 3.000 . 3.500 2.345 2.237 2.417 . 0 0 "[ . 1 . 2 ]" 1
199 1 43 ILE H 1 43 ILE HB 4.000 . 4.750 3.595 3.572 3.624 . 0 0 "[ . 1 . 2 ]" 1
200 1 43 ILE H 1 43 ILE HG13 3.000 . 3.500 3.032 2.903 3.123 . 0 0 "[ . 1 . 2 ]" 1
201 1 43 ILE H 1 43 ILE HG12 3.000 . 3.500 2.057 1.908 2.192 . 0 0 "[ . 1 . 2 ]" 1
202 1 43 ILE H 1 43 ILE MG 4.000 . 4.750 2.103 1.937 2.226 . 0 0 "[ . 1 . 2 ]" 1
203 1 43 ILE H 1 43 ILE MD 4.000 . 4.750 3.674 3.549 3.775 . 0 0 "[ . 1 . 2 ]" 1
204 1 43 ILE HA 1 43 ILE HB 3.000 . 3.500 2.417 2.395 2.432 . 0 0 "[ . 1 . 2 ]" 1
205 1 43 ILE HB 1 43 ILE HG13 3.000 . 3.500 2.551 2.492 2.619 . 0 0 "[ . 1 . 2 ]" 1
206 1 43 ILE HB 1 43 ILE HG12 3.000 . 3.500 3.019 3.002 3.028 . 0 0 "[ . 1 . 2 ]" 1
207 1 44 ILE H 1 44 ILE HA 3.000 . 3.500 2.876 2.869 2.881 . 0 0 "[ . 1 . 2 ]" 1
208 1 44 ILE H 1 44 ILE HB 3.000 . 3.500 2.111 2.045 2.155 . 0 0 "[ . 1 . 2 ]" 1
209 1 44 ILE H 1 44 ILE MG 3.000 . 3.500 2.661 2.552 2.865 . 0 0 "[ . 1 . 2 ]" 1
210 1 44 ILE H 1 44 ILE MD 5.000 . 6.000 3.891 3.732 4.194 . 0 0 "[ . 1 . 2 ]" 1
211 1 44 ILE H 1 44 ILE QG 4.000 . 4.750 3.825 3.632 3.875 . 0 0 "[ . 1 . 2 ]" 1
212 1 44 ILE HA 1 44 ILE HB 3.000 . 3.500 2.693 2.659 2.750 . 0 0 "[ . 1 . 2 ]" 1
213 1 44 ILE HA 1 44 ILE MD 4.000 . 4.750 3.472 3.364 3.699 . 0 0 "[ . 1 . 2 ]" 1
214 1 44 ILE HA 1 44 ILE QG 3.000 . 3.500 2.037 1.986 2.158 . 0 0 "[ . 1 . 2 ]" 1
215 1 44 ILE MD 1 44 ILE MG 3.000 . 3.500 2.315 1.691 2.441 0.109 8 0 "[ . 1 . 2 ]" 1
216 1 44 ILE QG 1 44 ILE MG 3.000 . 3.500 2.131 2.082 2.430 . 0 0 "[ . 1 . 2 ]" 1
217 1 45 ASN H 1 45 ASN QB 3.000 . 3.500 2.163 1.923 2.575 . 0 0 "[ . 1 . 2 ]" 1
218 1 45 ASN H 1 45 ASN QD 5.000 . 6.000 3.557 2.165 4.241 . 0 0 "[ . 1 . 2 ]" 1
219 1 46 ASP H 1 46 ASP HB3 3.000 . 3.500 2.533 2.469 2.624 . 0 0 "[ . 1 . 2 ]" 1
220 1 46 ASP H 1 46 ASP HB2 3.000 . 3.500 2.558 2.430 2.692 . 0 0 "[ . 1 . 2 ]" 1
221 1 46 ASP HA 1 46 ASP HB2 3.000 . 3.500 2.556 2.516 2.609 . 0 0 "[ . 1 . 2 ]" 1
222 1 48 ARG H 1 48 ARG HB3 4.000 . 4.750 3.476 3.445 3.504 . 0 0 "[ . 1 . 2 ]" 1
223 1 48 ARG H 1 48 ARG HB2 3.000 . 3.500 2.180 2.098 2.435 . 0 0 "[ . 1 . 2 ]" 1
224 1 48 ARG H 1 48 ARG HE 4.000 . 4.750 4.347 3.324 4.870 0.120 16 0 "[ . 1 . 2 ]" 1
225 1 48 ARG H 1 48 ARG QG 4.000 . 4.750 2.800 1.874 3.470 . 0 0 "[ . 1 . 2 ]" 1
226 1 48 ARG H 1 48 ARG QD 5.000 . 6.000 3.287 1.858 4.398 . 0 0 "[ . 1 . 2 ]" 1
227 1 48 ARG HA 1 48 ARG HB3 3.000 . 3.500 2.615 2.470 2.698 . 0 0 "[ . 1 . 2 ]" 1
228 1 48 ARG HA 1 48 ARG HE 4.000 . 4.750 4.559 4.199 4.750 0.000 5 0 "[ . 1 . 2 ]" 1
229 1 48 ARG HA 1 48 ARG QG 3.000 . 3.500 2.191 2.058 2.532 . 0 0 "[ . 1 . 2 ]" 1
230 1 48 ARG HA 1 48 ARG QD 4.000 . 4.750 2.777 2.511 2.965 . 0 0 "[ . 1 . 2 ]" 1
231 1 48 ARG HB3 1 48 ARG HE 3.000 . 3.500 2.833 2.127 3.547 0.047 13 0 "[ . 1 . 2 ]" 1
232 1 48 ARG HB3 1 48 ARG QG 2.500 . 2.800 2.393 2.177 2.536 . 0 0 "[ . 1 . 2 ]" 1
233 1 48 ARG HB2 1 48 ARG HE 3.000 . 3.500 2.783 2.103 3.160 . 0 0 "[ . 1 . 2 ]" 1
234 1 48 ARG HB2 1 48 ARG QG 2.500 . 2.800 2.282 2.163 2.482 . 0 0 "[ . 1 . 2 ]" 1
235 1 48 ARG HE 1 48 ARG QG 3.000 . 3.500 2.379 2.136 2.580 . 0 0 "[ . 1 . 2 ]" 1
236 1 49 TYR H 1 49 TYR HA 3.000 . 3.500 2.850 2.841 2.860 . 0 0 "[ . 1 . 2 ]" 1
237 1 49 TYR H 1 49 TYR HB3 3.000 . 3.500 2.691 2.636 2.751 . 0 0 "[ . 1 . 2 ]" 1
238 1 49 TYR H 1 49 TYR HB2 3.000 . 3.500 2.217 2.193 2.261 . 0 0 "[ . 1 . 2 ]" 1
239 1 49 TYR H 1 49 TYR QD 4.000 . 4.750 4.002 3.969 4.038 . 0 0 "[ . 1 . 2 ]" 1
240 1 49 TYR HA 1 49 TYR HB2 3.000 . 3.500 2.587 2.559 2.609 . 0 0 "[ . 1 . 2 ]" 1
241 1 49 TYR HA 1 49 TYR QD 3.000 . 3.500 2.509 2.359 2.623 . 0 0 "[ . 1 . 2 ]" 1
242 1 49 TYR HA 1 49 TYR QE 5.000 . 6.000 4.343 4.289 4.390 . 0 0 "[ . 1 . 2 ]" 1
243 1 49 TYR HB3 1 49 TYR QD 3.000 . 3.500 2.332 2.310 2.359 . 0 0 "[ . 1 . 2 ]" 1
244 1 49 TYR HB2 1 49 TYR QD 3.000 . 3.500 2.530 2.480 2.599 . 0 0 "[ . 1 . 2 ]" 1
245 1 50 SER H 1 50 SER QB 3.000 . 3.500 2.126 1.939 2.868 . 0 0 "[ . 1 . 2 ]" 1
246 1 51 ALA H 1 51 ALA HA 3.000 . 3.500 2.860 2.853 2.869 . 0 0 "[ . 1 . 2 ]" 1
247 1 52 LEU H 1 52 LEU HG 4.000 . 4.750 3.095 2.992 3.255 . 0 0 "[ . 1 . 2 ]" 1
248 1 52 LEU H 1 52 LEU MD1 5.000 . 6.000 4.192 3.986 4.307 . 0 0 "[ . 1 . 2 ]" 1
249 1 52 LEU H 1 52 LEU MD2 5.000 . 6.000 3.686 3.432 3.985 . 0 0 "[ . 1 . 2 ]" 1
250 1 52 LEU H 1 52 LEU QB 3.000 . 3.500 2.402 2.348 2.439 . 0 0 "[ . 1 . 2 ]" 1
251 1 52 LEU HA 1 52 LEU HG 4.000 . 4.750 3.049 2.797 3.195 . 0 0 "[ . 1 . 2 ]" 1
252 1 52 LEU HA 1 52 LEU MD2 4.000 . 4.750 1.803 1.780 1.875 0.020 13 0 "[ . 1 . 2 ]" 1
253 1 54 LYS H 1 54 LYS QB 3.000 . 3.500 2.115 2.018 2.373 . 0 0 "[ . 1 . 2 ]" 1
254 1 54 LYS H 1 54 LYS QG 4.000 . 4.750 3.322 2.677 4.101 . 0 0 "[ . 1 . 2 ]" 1
255 1 54 LYS H 1 54 LYS QD 5.000 . 6.000 4.001 2.616 4.747 . 0 0 "[ . 1 . 2 ]" 1
256 1 54 LYS QB 1 54 LYS QD 2.500 . 2.800 2.062 1.888 2.247 . 0 0 "[ . 1 . 2 ]" 1
257 1 54 LYS QB 1 54 LYS QE 4.000 . 4.750 3.061 2.143 3.676 . 0 0 "[ . 1 . 2 ]" 1
258 1 54 LYS QE 1 54 LYS QG 3.000 . 3.500 2.069 1.926 2.270 . 0 0 "[ . 1 . 2 ]" 1
259 1 55 LEU H 1 55 LEU HG 4.000 . 4.750 4.383 3.019 4.539 . 0 0 "[ . 1 . 2 ]" 1
260 1 55 LEU HA 1 55 LEU HG 4.000 . 4.750 3.437 2.572 3.586 . 0 0 "[ . 1 . 2 ]" 1
261 1 55 LEU HA 1 55 LEU QD 4.000 . 4.750 1.855 1.768 1.947 0.032 12 0 "[ . 1 . 2 ]" 1
262 1 55 LEU QB 1 55 LEU HG 2.500 . 2.800 2.216 2.192 2.324 . 0 0 "[ . 1 . 2 ]" 1
263 1 56 SER HA 1 56 SER QB 2.500 . 2.800 2.355 2.189 2.528 . 0 0 "[ . 1 . 2 ]" 1
264 1 57 GLU H 1 57 GLU QG 3.000 . 3.500 1.910 1.753 3.184 0.047 20 0 "[ . 1 . 2 ]" 1
265 1 58 LYS H 1 58 LYS QB 3.000 . 3.500 2.171 2.122 2.297 . 0 0 "[ . 1 . 2 ]" 1
266 1 58 LYS H 1 58 LYS QG 3.000 . 3.500 2.435 2.314 2.505 . 0 0 "[ . 1 . 2 ]" 1
267 1 58 LYS H 1 58 LYS QD 4.000 . 4.750 4.080 3.743 4.268 . 0 0 "[ . 1 . 2 ]" 1
268 1 58 LYS HA 1 58 LYS QD 4.000 . 4.750 3.767 3.457 3.943 . 0 0 "[ . 1 . 2 ]" 1
269 1 58 LYS HA 1 58 LYS QE 5.000 . 6.000 4.532 4.047 4.952 . 0 0 "[ . 1 . 2 ]" 1
270 1 58 LYS QB 1 58 LYS QD 3.000 . 3.500 2.044 1.918 2.125 . 0 0 "[ . 1 . 2 ]" 1
271 1 58 LYS QB 1 58 LYS QE 4.000 . 4.750 3.237 2.690 3.695 . 0 0 "[ . 1 . 2 ]" 1
272 1 59 LYS H 1 59 LYS HB3 3.000 . 3.500 3.498 3.433 3.529 0.029 9 0 "[ . 1 . 2 ]" 1
273 1 59 LYS H 1 59 LYS HB2 3.000 . 3.500 2.269 2.065 2.614 . 0 0 "[ . 1 . 2 ]" 1
274 1 59 LYS H 1 59 LYS QG 3.000 . 3.500 2.344 1.872 2.715 . 0 0 "[ . 1 . 2 ]" 1
275 1 59 LYS H 1 59 LYS QD 4.000 . 4.750 3.861 3.148 4.310 . 0 0 "[ . 1 . 2 ]" 1
276 1 59 LYS HA 1 59 LYS HB3 3.000 . 3.500 2.552 2.388 2.679 . 0 0 "[ . 1 . 2 ]" 1
277 1 59 LYS HA 1 59 LYS HB2 3.000 . 3.500 3.026 2.996 3.042 . 0 0 "[ . 1 . 2 ]" 1
278 1 59 LYS HA 1 59 LYS QG 3.000 . 3.500 2.306 2.134 2.587 . 0 0 "[ . 1 . 2 ]" 1
279 1 59 LYS HA 1 59 LYS QE 5.000 . 6.000 4.593 4.324 4.866 . 0 0 "[ . 1 . 2 ]" 1
280 1 59 LYS HB3 1 59 LYS QD 3.000 . 3.500 2.241 1.895 2.632 . 0 0 "[ . 1 . 2 ]" 1
281 1 59 LYS HB3 1 59 LYS QE 4.000 . 4.750 3.762 3.254 4.219 . 0 0 "[ . 1 . 2 ]" 1
282 1 59 LYS HB2 1 59 LYS QD 3.000 . 3.500 2.592 2.122 3.083 . 0 0 "[ . 1 . 2 ]" 1
283 1 60 GLN H 1 60 GLN HA 3.000 . 3.500 2.856 2.853 2.861 . 0 0 "[ . 1 . 2 ]" 1
284 1 60 GLN H 1 60 GLN QB 3.000 . 3.500 2.165 1.951 2.424 . 0 0 "[ . 1 . 2 ]" 1
285 1 60 GLN H 1 60 GLN QG 3.000 . 3.500 2.516 2.038 3.049 . 0 0 "[ . 1 . 2 ]" 1
286 1 61 ALA H 1 61 ALA HA 3.000 . 3.500 2.892 2.861 2.904 . 0 0 "[ . 1 . 2 ]" 1
287 1 61 ALA H 1 61 ALA MB 3.000 . 3.500 2.084 1.966 2.157 . 0 0 "[ . 1 . 2 ]" 1
288 1 62 PHE H 1 62 PHE HB3 3.000 . 3.500 2.244 2.201 2.269 . 0 0 "[ . 1 . 2 ]" 1
289 1 62 PHE H 1 62 PHE HB2 3.000 . 3.500 2.641 2.596 2.686 . 0 0 "[ . 1 . 2 ]" 1
290 1 62 PHE H 1 62 PHE QD 4.000 . 4.750 4.109 4.093 4.118 . 0 0 "[ . 1 . 2 ]" 1
291 1 62 PHE HA 1 62 PHE QD 3.000 . 3.500 2.056 2.010 2.112 . 0 0 "[ . 1 . 2 ]" 1
292 1 62 PHE HA 1 62 PHE QE 5.000 . 6.000 4.415 4.367 4.465 . 0 0 "[ . 1 . 2 ]" 1
293 1 62 PHE HB3 1 62 PHE QD 3.000 . 3.500 2.384 2.358 2.406 . 0 0 "[ . 1 . 2 ]" 1
294 1 62 PHE HB2 1 62 PHE QD 3.000 . 3.500 2.781 2.773 2.785 . 0 0 "[ . 1 . 2 ]" 1
295 1 63 ASN H 1 63 ASN HA 3.000 . 3.500 2.860 2.847 2.872 . 0 0 "[ . 1 . 2 ]" 1
296 1 63 ASN H 1 63 ASN QB 3.000 . 3.500 2.110 1.935 2.436 . 0 0 "[ . 1 . 2 ]" 1
297 1 63 ASN H 1 63 ASN QD 4.000 . 4.750 3.619 2.216 4.252 . 0 0 "[ . 1 . 2 ]" 1
298 1 64 ALA H 1 64 ALA HA 3.000 . 3.500 2.870 2.849 2.892 . 0 0 "[ . 1 . 2 ]" 1
299 1 64 ALA H 1 64 ALA MB 3.000 . 3.500 2.050 1.921 2.160 . 0 0 "[ . 1 . 2 ]" 1
300 1 65 TYR H 1 65 TYR HA 3.000 . 3.500 2.854 2.847 2.858 . 0 0 "[ . 1 . 2 ]" 1
301 1 65 TYR H 1 65 TYR HB3 3.000 . 3.500 2.171 2.134 2.195 . 0 0 "[ . 1 . 2 ]" 1
302 1 65 TYR H 1 65 TYR HB2 3.000 . 3.500 2.700 2.669 2.740 . 0 0 "[ . 1 . 2 ]" 1
303 1 65 TYR H 1 65 TYR QD 4.000 . 4.750 4.004 3.966 4.030 . 0 0 "[ . 1 . 2 ]" 1
304 1 65 TYR HA 1 65 TYR HB3 3.000 . 3.500 3.016 3.006 3.020 . 0 0 "[ . 1 . 2 ]" 1
305 1 65 TYR HA 1 65 TYR HB2 3.000 . 3.500 2.363 2.347 2.370 . 0 0 "[ . 1 . 2 ]" 1
306 1 65 TYR HA 1 65 TYR QD 4.000 . 4.750 2.970 2.919 3.064 . 0 0 "[ . 1 . 2 ]" 1
307 1 65 TYR HA 1 65 TYR QE 5.000 . 6.000 4.809 4.777 4.851 . 0 0 "[ . 1 . 2 ]" 1
308 1 65 TYR HB3 1 65 TYR QD 3.000 . 3.500 2.415 2.397 2.459 . 0 0 "[ . 1 . 2 ]" 1
309 1 65 TYR HB2 1 65 TYR QD 3.000 . 3.500 2.413 2.377 2.435 . 0 0 "[ . 1 . 2 ]" 1
310 1 66 LYS H 1 66 LYS HA 3.000 . 3.500 2.888 2.869 2.899 . 0 0 "[ . 1 . 2 ]" 1
311 1 66 LYS H 1 66 LYS HB3 3.000 . 3.500 3.516 3.395 3.533 0.033 6 0 "[ . 1 . 2 ]" 1
312 1 66 LYS H 1 66 LYS HB2 3.000 . 3.500 2.421 2.032 2.512 . 0 0 "[ . 1 . 2 ]" 1
313 1 66 LYS H 1 66 LYS QG 3.000 . 3.500 2.053 1.832 2.893 . 0 0 "[ . 1 . 2 ]" 1
314 1 66 LYS HA 1 66 LYS HB3 3.000 . 3.500 2.468 2.430 2.675 . 0 0 "[ . 1 . 2 ]" 1
315 1 66 LYS HA 1 66 LYS HB2 3.000 . 3.500 3.032 2.981 3.038 . 0 0 "[ . 1 . 2 ]" 1
316 1 66 LYS HA 1 66 LYS QG 3.000 . 3.500 2.368 2.184 2.521 . 0 0 "[ . 1 . 2 ]" 1
317 1 66 LYS HA 1 66 LYS QD 4.000 . 4.750 3.833 3.527 4.183 . 0 0 "[ . 1 . 2 ]" 1
318 1 66 LYS HB3 1 66 LYS QD 3.000 . 3.500 2.358 2.085 3.202 . 0 0 "[ . 1 . 2 ]" 1
319 1 66 LYS HB3 1 66 LYS QE 3.000 . 3.500 2.758 1.870 3.125 . 0 0 "[ . 1 . 2 ]" 1
320 1 66 LYS HB2 1 66 LYS QD 3.000 . 3.500 2.915 2.113 3.158 . 0 0 "[ . 1 . 2 ]" 1
321 1 66 LYS HB2 1 66 LYS QE 4.000 . 4.750 2.265 1.883 3.671 . 0 0 "[ . 1 . 2 ]" 1
322 1 67 VAL H 1 67 VAL HA 3.000 . 3.500 2.886 2.852 2.941 . 0 0 "[ . 1 . 2 ]" 1
323 1 67 VAL H 1 67 VAL HB 3.000 . 3.500 2.354 2.214 2.457 . 0 0 "[ . 1 . 2 ]" 1
324 1 67 VAL H 1 67 VAL MG2 4.000 . 4.750 2.160 1.911 2.374 . 0 0 "[ . 1 . 2 ]" 1
325 1 67 VAL HA 1 67 VAL HB 3.000 . 3.500 3.034 3.025 3.039 . 0 0 "[ . 1 . 2 ]" 1
326 1 68 GLN H 1 68 GLN HA 3.000 . 3.500 2.919 2.856 2.972 . 0 0 "[ . 1 . 2 ]" 1
327 1 68 GLN H 1 68 GLN QB 3.000 . 3.500 2.117 1.926 2.348 . 0 0 "[ . 1 . 2 ]" 1
328 1 68 GLN H 1 68 GLN QG 4.000 . 4.750 3.386 2.324 4.009 . 0 0 "[ . 1 . 2 ]" 1
329 1 69 THR H 1 69 THR HB 4.000 . 4.750 3.258 2.612 3.670 . 0 0 "[ . 1 . 2 ]" 1
330 1 69 THR HA 1 69 THR HB 3.000 . 3.500 2.513 2.385 2.659 . 0 0 "[ . 1 . 2 ]" 1
331 1 70 GLU H 1 70 GLU QB 3.000 . 3.500 2.581 1.952 3.254 . 0 0 "[ . 1 . 2 ]" 1
332 1 70 GLU H 1 70 GLU QG 3.000 . 3.500 2.626 1.995 3.118 . 0 0 "[ . 1 . 2 ]" 1
333 1 71 LYS H 1 71 LYS HA 3.000 . 3.500 2.776 2.362 3.000 . 0 0 "[ . 1 . 2 ]" 1
334 1 71 LYS H 1 71 LYS QG 4.000 . 4.750 2.863 1.875 4.254 . 0 0 "[ . 1 . 2 ]" 1
335 1 71 LYS H 1 71 LYS QD 4.000 . 4.750 3.735 1.957 4.275 . 0 0 "[ . 1 . 2 ]" 1
336 1 71 LYS QB 1 71 LYS QD 2.500 . 2.800 2.147 1.977 2.236 . 0 0 "[ . 1 . 2 ]" 1
337 1 71 LYS QB 1 71 LYS QE 3.000 . 3.500 2.403 1.952 2.778 . 0 0 "[ . 1 . 2 ]" 1
338 1 3 GLN HA 1 4 PRO QD 4.000 . 4.750 2.298 1.902 3.504 . 0 0 "[ . 1 . 2 ]" 1
339 1 4 PRO HA 1 5 ALA H 4.000 . 4.750 2.674 2.222 3.586 . 0 0 "[ . 1 . 2 ]" 1
340 1 4 PRO QB 1 5 ALA H 4.000 . 4.750 3.206 1.873 4.025 . 0 0 "[ . 1 . 2 ]" 1
341 1 5 ALA H 1 6 LYS H 5.000 . 6.000 3.501 1.982 4.698 . 0 0 "[ . 1 . 2 ]" 1
342 1 5 ALA HA 1 6 LYS H 3.000 . 3.500 2.940 2.213 3.574 0.074 19 0 "[ . 1 . 2 ]" 1
343 1 5 ALA MB 1 6 LYS H 5.000 . 6.000 2.785 1.834 3.737 . 0 0 "[ . 1 . 2 ]" 1
344 1 6 LYS H 1 7 LYS H 4.000 . 4.750 3.698 1.857 4.703 . 0 0 "[ . 1 . 2 ]" 1
345 1 6 LYS HA 1 7 LYS H 3.000 . 3.500 2.842 2.211 3.572 0.072 11 0 "[ . 1 . 2 ]" 1
346 1 6 LYS QB 1 7 LYS H 5.000 . 6.000 2.938 1.789 4.064 0.011 21 0 "[ . 1 . 2 ]" 1
347 1 7 LYS H 1 8 THR H 4.000 . 4.750 4.558 4.424 4.655 . 0 0 "[ . 1 . 2 ]" 1
348 1 7 LYS HA 1 8 THR H 3.000 . 3.500 2.286 2.211 2.450 . 0 0 "[ . 1 . 2 ]" 1
349 1 7 LYS QB 1 8 THR H 4.000 . 4.750 3.304 2.572 3.814 . 0 0 "[ . 1 . 2 ]" 1
350 1 8 THR H 1 9 TYR H 4.000 . 4.750 4.549 4.443 4.638 . 0 0 "[ . 1 . 2 ]" 1
351 1 8 THR HA 1 9 TYR H 3.000 . 3.500 2.270 2.205 2.402 . 0 0 "[ . 1 . 2 ]" 1
352 1 8 THR HA 1 9 TYR QD 5.000 . 6.000 3.320 2.985 3.722 . 0 0 "[ . 1 . 2 ]" 1
353 1 8 THR HB 1 9 TYR H 4.000 . 4.750 4.124 3.770 4.360 . 0 0 "[ . 1 . 2 ]" 1
354 1 8 THR MG 1 9 TYR H 5.000 . 6.000 2.373 1.894 2.919 . 0 0 "[ . 1 . 2 ]" 1
355 1 9 TYR H 1 10 THR H 5.000 . 6.000 4.624 4.537 4.667 . 0 0 "[ . 1 . 2 ]" 1
356 1 9 TYR HA 1 10 THR H 3.000 . 3.500 2.411 2.352 2.451 . 0 0 "[ . 1 . 2 ]" 1
357 1 9 TYR QB 1 10 THR H 5.000 . 6.000 2.652 2.564 2.792 . 0 0 "[ . 1 . 2 ]" 1
358 1 9 TYR QD 1 10 THR H 5.000 . 6.000 4.153 3.922 4.538 . 0 0 "[ . 1 . 2 ]" 1
359 1 10 THR H 1 11 TRP H 4.000 . 4.750 4.392 4.344 4.506 . 0 0 "[ . 1 . 2 ]" 1
360 1 10 THR H 1 11 TRP HE3 5.000 . 6.000 4.495 4.285 5.185 . 0 0 "[ . 1 . 2 ]" 1
361 1 10 THR HA 1 11 TRP H 3.000 . 3.500 2.233 2.208 2.269 . 0 0 "[ . 1 . 2 ]" 1
362 1 10 THR HA 1 11 TRP HE3 4.000 . 4.750 3.087 2.934 3.178 . 0 0 "[ . 1 . 2 ]" 1
363 1 10 THR HA 1 11 TRP HZ3 5.000 . 6.000 4.232 4.015 4.362 . 0 0 "[ . 1 . 2 ]" 1
364 1 10 THR HB 1 11 TRP H 4.000 . 4.750 3.358 3.226 3.484 . 0 0 "[ . 1 . 2 ]" 1
365 1 10 THR MG 1 11 TRP H 5.000 . 6.000 3.992 3.573 4.224 . 0 0 "[ . 1 . 2 ]" 1
366 1 10 THR MG 1 11 TRP HE3 5.000 . 6.000 4.738 4.524 4.848 . 0 0 "[ . 1 . 2 ]" 1
367 1 10 THR MG 1 11 TRP HZ3 5.000 . 6.000 5.032 4.995 5.059 . 0 0 "[ . 1 . 2 ]" 1
368 1 11 TRP H 1 12 ASN H 5.000 . 6.000 4.453 4.294 4.572 . 0 0 "[ . 1 . 2 ]" 1
369 1 11 TRP HA 1 12 ASN H 3.000 . 3.500 2.243 2.180 2.288 . 0 0 "[ . 1 . 2 ]" 1
370 1 11 TRP HD1 1 12 ASN H 5.000 . 6.000 4.025 3.779 4.406 . 0 0 "[ . 1 . 2 ]" 1
371 1 11 TRP QB 1 12 ASN H 4.000 . 4.750 3.180 3.001 3.524 . 0 0 "[ . 1 . 2 ]" 1
372 1 12 ASN H 1 13 THR H 3.000 . 3.500 2.048 1.861 2.320 . 0 0 "[ . 1 . 2 ]" 1
373 1 12 ASN H 1 13 THR MG 5.000 . 6.000 3.906 2.812 4.732 . 0 0 "[ . 1 . 2 ]" 1
374 1 12 ASN HA 1 13 THR H 4.000 . 4.750 3.502 3.353 3.591 . 0 0 "[ . 1 . 2 ]" 1
375 1 12 ASN QB 1 13 THR H 4.000 . 4.750 2.876 2.351 3.800 . 0 0 "[ . 1 . 2 ]" 1
376 1 12 ASN QB 1 13 THR MG 4.000 . 4.750 2.977 2.352 3.546 . 0 0 "[ . 1 . 2 ]" 1
377 1 13 THR H 1 14 LYS H 4.000 . 4.750 4.549 4.445 4.618 . 0 0 "[ . 1 . 2 ]" 1
378 1 13 THR HA 1 14 LYS H 4.000 . 4.750 2.344 2.299 2.430 . 0 0 "[ . 1 . 2 ]" 1
379 1 13 THR HB 1 14 LYS H 5.000 . 6.000 3.138 2.737 4.003 . 0 0 "[ . 1 . 2 ]" 1
380 1 13 THR MG 1 14 LYS H 5.000 . 6.000 3.739 3.375 4.129 . 0 0 "[ . 1 . 2 ]" 1
381 1 14 LYS H 1 15 GLU H 5.000 . 6.000 2.645 2.599 2.690 . 0 0 "[ . 1 . 2 ]" 1
382 1 14 LYS HA 1 15 GLU H 5.000 . 6.000 3.543 3.508 3.569 . 0 0 "[ . 1 . 2 ]" 1
383 1 14 LYS QB 1 15 GLU H 4.000 . 4.750 2.714 2.462 2.923 . 0 0 "[ . 1 . 2 ]" 1
384 1 14 LYS QG 1 15 GLU H 5.000 . 6.000 4.222 3.628 4.663 . 0 0 "[ . 1 . 2 ]" 1
385 1 15 GLU H 1 16 GLU H 3.000 . 3.500 2.747 2.665 2.860 . 0 0 "[ . 1 . 2 ]" 1
386 1 15 GLU H 1 16 GLU HA 5.000 . 6.000 5.397 5.336 5.486 . 0 0 "[ . 1 . 2 ]" 1
387 1 15 GLU HA 1 16 GLU H 3.000 . 3.500 3.566 3.554 3.573 0.073 2 0 "[ . 1 . 2 ]" 1
388 1 15 GLU QB 1 16 GLU H 4.000 . 4.750 2.440 2.364 2.592 . 0 0 "[ . 1 . 2 ]" 1
389 1 15 GLU QG 1 16 GLU H 3.000 . 3.500 3.020 2.840 3.144 . 0 0 "[ . 1 . 2 ]" 1
390 1 16 GLU H 1 17 ALA H 3.000 . 3.500 2.715 2.607 2.783 . 0 0 "[ . 1 . 2 ]" 1
391 1 16 GLU H 1 17 ALA MB 5.000 . 6.000 4.156 4.066 4.214 . 0 0 "[ . 1 . 2 ]" 1
392 1 16 GLU HA 1 17 ALA H 3.000 . 3.500 3.560 3.541 3.573 0.073 16 0 "[ . 1 . 2 ]" 1
393 1 16 GLU QB 1 17 ALA H 4.000 . 4.750 2.477 2.360 2.596 . 0 0 "[ . 1 . 2 ]" 1
394 1 16 GLU QB 1 17 ALA MB 5.000 . 6.000 3.711 3.622 3.792 . 0 0 "[ . 1 . 2 ]" 1
395 1 16 GLU QG 1 17 ALA H 4.000 . 4.750 4.115 3.925 4.277 . 0 0 "[ . 1 . 2 ]" 1
396 1 17 ALA H 1 18 LYS H 3.000 . 3.500 2.745 2.649 2.821 . 0 0 "[ . 1 . 2 ]" 1
397 1 17 ALA H 1 18 LYS HB3 5.000 . 6.000 5.232 5.131 5.334 . 0 0 "[ . 1 . 2 ]" 1
398 1 17 ALA H 1 18 LYS HB2 4.000 . 4.750 4.664 4.561 4.755 0.005 18 0 "[ . 1 . 2 ]" 1
399 1 17 ALA HA 1 18 LYS H 4.000 . 4.750 3.578 3.570 3.585 . 0 0 "[ . 1 . 2 ]" 1
400 1 17 ALA MB 1 18 LYS H 4.000 . 4.750 2.486 2.458 2.506 . 0 0 "[ . 1 . 2 ]" 1
401 1 17 ALA MB 1 18 LYS HA 5.000 . 6.000 3.770 3.731 3.823 . 0 0 "[ . 1 . 2 ]" 1
402 1 17 ALA MB 1 18 LYS HB2 4.000 . 4.750 3.773 3.738 3.804 . 0 0 "[ . 1 . 2 ]" 1
403 1 18 LYS H 1 19 GLN H 3.000 . 3.500 2.589 2.512 2.650 . 0 0 "[ . 1 . 2 ]" 1
404 1 18 LYS H 1 19 GLN QB 5.000 . 6.000 4.238 4.173 4.318 . 0 0 "[ . 1 . 2 ]" 1
405 1 18 LYS HA 1 19 GLN H 4.000 . 4.750 3.538 3.516 3.558 . 0 0 "[ . 1 . 2 ]" 1
406 1 18 LYS HB3 1 19 GLN H 3.000 . 3.500 2.666 2.557 2.757 . 0 0 "[ . 1 . 2 ]" 1
407 1 18 LYS HB2 1 19 GLN H 3.000 . 3.500 3.529 3.495 3.547 0.047 19 0 "[ . 1 . 2 ]" 1
408 1 18 LYS QG 1 19 GLN H 5.000 . 6.000 4.148 4.032 4.211 . 0 0 "[ . 1 . 2 ]" 1
409 1 19 GLN H 1 20 ALA H 3.000 . 3.500 2.677 2.620 2.735 . 0 0 "[ . 1 . 2 ]" 1
410 1 19 GLN H 1 20 ALA MB 5.000 . 6.000 4.187 4.124 4.288 . 0 0 "[ . 1 . 2 ]" 1
411 1 19 GLN HA 1 20 ALA H 4.000 . 4.750 3.581 3.552 3.601 . 0 0 "[ . 1 . 2 ]" 1
412 1 19 GLN QB 1 20 ALA H 3.000 . 3.500 2.500 2.350 2.643 . 0 0 "[ . 1 . 2 ]" 1
413 1 19 GLN QG 1 20 ALA H 4.000 . 4.750 3.895 2.948 4.269 . 0 0 "[ . 1 . 2 ]" 1
414 1 20 ALA H 1 21 PHE H 3.000 . 3.500 2.592 2.477 2.677 . 0 0 "[ . 1 . 2 ]" 1
415 1 20 ALA H 1 21 PHE HB3 5.000 . 6.000 5.032 4.810 5.260 . 0 0 "[ . 1 . 2 ]" 1
416 1 20 ALA H 1 21 PHE HB2 5.000 . 6.000 4.600 4.416 4.753 . 0 0 "[ . 1 . 2 ]" 1
417 1 20 ALA HA 1 21 PHE H 3.000 . 3.500 3.540 3.529 3.550 0.050 5 0 "[ . 1 . 2 ]" 1
418 1 20 ALA MB 1 21 PHE H 4.000 . 4.750 2.699 2.638 2.772 . 0 0 "[ . 1 . 2 ]" 1
419 1 20 ALA MB 1 21 PHE HA 5.000 . 6.000 3.826 3.756 3.896 . 0 0 "[ . 1 . 2 ]" 1
420 1 20 ALA MB 1 21 PHE HB3 5.000 . 6.000 4.883 4.757 5.010 . 0 0 "[ . 1 . 2 ]" 1
421 1 20 ALA MB 1 21 PHE HB2 5.000 . 6.000 3.979 3.883 4.064 . 0 0 "[ . 1 . 2 ]" 1
422 1 21 PHE H 1 22 LYS H 3.000 . 3.500 2.664 2.603 2.724 . 0 0 "[ . 1 . 2 ]" 1
423 1 21 PHE HA 1 22 LYS H 4.000 . 4.750 3.587 3.575 3.604 . 0 0 "[ . 1 . 2 ]" 1
424 1 21 PHE HB3 1 22 LYS H 4.000 . 4.750 2.442 2.406 2.515 . 0 0 "[ . 1 . 2 ]" 1
425 1 21 PHE HB2 1 22 LYS H 4.000 . 4.750 3.578 3.409 3.735 . 0 0 "[ . 1 . 2 ]" 1
426 1 21 PHE QD 1 22 LYS H 4.000 . 4.750 3.764 3.375 4.195 . 0 0 "[ . 1 . 2 ]" 1
427 1 21 PHE QD 1 22 LYS HA 5.000 . 6.000 3.624 3.120 4.389 . 0 0 "[ . 1 . 2 ]" 1
428 1 22 LYS H 1 23 GLU H 3.000 . 3.500 2.627 2.503 2.714 . 0 0 "[ . 1 . 2 ]" 1
429 1 22 LYS H 1 23 GLU QB 5.000 . 6.000 4.248 4.148 4.341 . 0 0 "[ . 1 . 2 ]" 1
430 1 22 LYS HA 1 23 GLU H 4.000 . 4.750 3.576 3.561 3.587 . 0 0 "[ . 1 . 2 ]" 1
431 1 22 LYS QB 1 23 GLU H 3.000 . 3.500 2.627 2.421 3.050 . 0 0 "[ . 1 . 2 ]" 1
432 1 22 LYS QG 1 23 GLU H 5.000 . 6.000 3.587 1.999 4.297 . 0 0 "[ . 1 . 2 ]" 1
433 1 23 GLU H 1 24 LEU H 3.000 . 3.500 2.588 2.534 2.622 . 0 0 "[ . 1 . 2 ]" 1
434 1 23 GLU HA 1 24 LEU H 4.000 . 4.750 3.518 3.502 3.529 . 0 0 "[ . 1 . 2 ]" 1
435 1 23 GLU QB 1 24 LEU H 3.000 . 3.500 2.659 2.567 2.713 . 0 0 "[ . 1 . 2 ]" 1
436 1 23 GLU QG 1 24 LEU H 4.000 . 4.750 3.959 3.387 4.345 . 0 0 "[ . 1 . 2 ]" 1
437 1 24 LEU H 1 25 LEU H 3.000 . 3.500 2.740 2.661 2.802 . 0 0 "[ . 1 . 2 ]" 1
438 1 24 LEU H 1 25 LEU HA 5.000 . 6.000 5.392 5.333 5.434 . 0 0 "[ . 1 . 2 ]" 1
439 1 24 LEU H 1 25 LEU HG 5.000 . 6.000 5.708 5.583 5.807 . 0 0 "[ . 1 . 2 ]" 1
440 1 24 LEU HA 1 25 LEU H 4.000 . 4.750 3.585 3.569 3.601 . 0 0 "[ . 1 . 2 ]" 1
441 1 24 LEU HB3 1 25 LEU H 4.000 . 4.750 2.346 2.241 2.455 . 0 0 "[ . 1 . 2 ]" 1
442 1 24 LEU HB3 1 25 LEU HG 4.000 . 4.750 4.245 4.065 4.412 . 0 0 "[ . 1 . 2 ]" 1
443 1 24 LEU HB2 1 25 LEU H 4.000 . 4.750 3.764 3.662 3.856 . 0 0 "[ . 1 . 2 ]" 1
444 1 24 LEU HG 1 25 LEU H 4.000 . 4.750 3.357 3.181 3.644 . 0 0 "[ . 1 . 2 ]" 1
445 1 24 LEU MD2 1 25 LEU H 5.000 . 6.000 4.199 4.041 4.349 . 0 0 "[ . 1 . 2 ]" 1
446 1 25 LEU H 1 26 LYS H 3.000 . 3.500 2.695 2.623 2.753 . 0 0 "[ . 1 . 2 ]" 1
447 1 25 LEU HA 1 26 LYS H 4.000 . 4.750 3.560 3.540 3.574 . 0 0 "[ . 1 . 2 ]" 1
448 1 25 LEU HB3 1 26 LYS H 4.000 . 4.750 3.278 3.117 3.392 . 0 0 "[ . 1 . 2 ]" 1
449 1 25 LEU HB2 1 26 LYS H 3.000 . 3.500 2.763 2.646 2.842 . 0 0 "[ . 1 . 2 ]" 1
450 1 25 LEU HG 1 26 LYS H 5.000 . 6.000 4.769 4.729 4.796 . 0 0 "[ . 1 . 2 ]" 1
451 1 25 LEU MD1 1 26 LYS H 5.000 . 6.000 4.332 4.256 4.389 . 0 0 "[ . 1 . 2 ]" 1
452 1 25 LEU MD2 1 26 LYS H 5.000 . 6.000 4.760 4.641 4.835 . 0 0 "[ . 1 . 2 ]" 1
453 1 26 LYS H 1 27 GLU H 3.000 . 3.500 2.718 2.659 2.770 . 0 0 "[ . 1 . 2 ]" 1
454 1 26 LYS H 1 27 GLU QB 5.000 . 6.000 4.370 4.277 4.672 . 0 0 "[ . 1 . 2 ]" 1
455 1 26 LYS HA 1 27 GLU H 4.000 . 4.750 3.575 3.569 3.582 . 0 0 "[ . 1 . 2 ]" 1
456 1 26 LYS QG 1 27 GLU H 5.000 . 6.000 4.138 3.919 4.429 . 0 0 "[ . 1 . 2 ]" 1
457 1 27 GLU H 1 28 LYS H 3.000 . 3.500 2.526 2.481 2.571 . 0 0 "[ . 1 . 2 ]" 1
458 1 27 GLU HA 1 28 LYS H 4.000 . 4.750 3.498 3.475 3.518 . 0 0 "[ . 1 . 2 ]" 1
459 1 27 GLU QB 1 28 LYS H 3.000 . 3.500 2.782 2.619 2.922 . 0 0 "[ . 1 . 2 ]" 1
460 1 27 GLU QG 1 28 LYS H 5.000 . 6.000 4.168 3.646 4.541 . 0 0 "[ . 1 . 2 ]" 1
461 1 28 LYS H 1 29 ARG H 3.000 . 3.500 2.500 2.405 2.631 . 0 0 "[ . 1 . 2 ]" 1
462 1 28 LYS H 1 29 ARG HA 4.000 . 4.750 4.763 4.723 4.790 0.040 18 0 "[ . 1 . 2 ]" 1
463 1 28 LYS HA 1 29 ARG H 4.000 . 4.750 3.311 3.186 3.380 . 0 0 "[ . 1 . 2 ]" 1
464 1 28 LYS HB2 1 29 ARG H 4.000 . 4.750 3.546 3.393 3.764 . 0 0 "[ . 1 . 2 ]" 1
465 1 28 LYS QG 1 29 ARG H 5.000 . 6.000 4.805 4.754 4.848 . 0 0 "[ . 1 . 2 ]" 1
466 1 29 ARG H 1 30 VAL H 3.000 . 3.500 2.803 2.687 3.008 . 0 0 "[ . 1 . 2 ]" 1
467 1 29 ARG H 1 30 VAL MG2 5.000 . 6.000 3.843 3.522 4.029 . 0 0 "[ . 1 . 2 ]" 1
468 1 29 ARG HA 1 30 VAL H 3.000 . 3.500 2.980 2.856 3.093 . 0 0 "[ . 1 . 2 ]" 1
469 1 29 ARG QG 1 30 VAL H 5.000 . 6.000 4.563 3.657 4.783 . 0 0 "[ . 1 . 2 ]" 1
470 1 30 VAL H 1 31 PRO HD3 5.000 . 6.000 4.768 4.687 4.873 . 0 0 "[ . 1 . 2 ]" 1
471 1 30 VAL H 1 31 PRO HD2 5.000 . 6.000 4.899 4.854 4.944 . 0 0 "[ . 1 . 2 ]" 1
472 1 30 VAL HA 1 31 PRO HD3 3.000 . 3.500 2.240 2.162 2.282 . 0 0 "[ . 1 . 2 ]" 1
473 1 30 VAL HA 1 31 PRO HD2 3.000 . 3.500 2.150 2.077 2.225 . 0 0 "[ . 1 . 2 ]" 1
474 1 30 VAL HA 1 31 PRO QG 4.000 . 4.750 3.854 3.828 3.884 . 0 0 "[ . 1 . 2 ]" 1
475 1 30 VAL HB 1 31 PRO HD3 5.000 . 6.000 4.953 4.841 5.022 . 0 0 "[ . 1 . 2 ]" 1
476 1 30 VAL HB 1 31 PRO HD2 5.000 . 6.000 4.251 4.026 4.365 . 0 0 "[ . 1 . 2 ]" 1
477 1 30 VAL MG1 1 31 PRO HA 5.000 . 6.000 4.209 4.022 4.496 . 0 0 "[ . 1 . 2 ]" 1
478 1 30 VAL MG1 1 31 PRO HD3 5.000 . 6.000 3.420 3.298 3.568 . 0 0 "[ . 1 . 2 ]" 1
479 1 30 VAL MG1 1 31 PRO HD2 4.000 . 4.750 2.126 1.849 2.357 . 0 0 "[ . 1 . 2 ]" 1
480 1 30 VAL MG1 1 31 PRO QG 5.000 . 6.000 3.343 3.175 3.445 . 0 0 "[ . 1 . 2 ]" 1
481 1 30 VAL MG2 1 31 PRO HD3 5.000 . 6.000 4.184 4.058 4.413 . 0 0 "[ . 1 . 2 ]" 1
482 1 30 VAL MG2 1 31 PRO HD2 5.000 . 6.000 3.670 3.456 4.001 . 0 0 "[ . 1 . 2 ]" 1
483 1 31 PRO HA 1 32 SER H 2.500 . 2.800 2.428 2.407 2.457 . 0 0 "[ . 1 . 2 ]" 1
484 1 31 PRO HA 1 32 SER QB 5.000 . 6.000 4.286 4.065 4.780 . 0 0 "[ . 1 . 2 ]" 1
485 1 31 PRO QB 1 32 SER H 4.000 . 4.750 2.667 2.622 2.690 . 0 0 "[ . 1 . 2 ]" 1
486 1 31 PRO QG 1 32 SER H 4.000 . 4.750 4.243 4.208 4.257 . 0 0 "[ . 1 . 2 ]" 1
487 1 32 SER H 1 33 ASN H 4.000 . 4.750 2.586 2.551 2.634 . 0 0 "[ . 1 . 2 ]" 1
488 1 32 SER HA 1 33 ASN H 4.000 . 4.750 3.395 3.383 3.404 . 0 0 "[ . 1 . 2 ]" 1
489 1 32 SER QB 1 33 ASN H 4.000 . 4.750 3.441 3.154 3.760 . 0 0 "[ . 1 . 2 ]" 1
490 1 33 ASN H 1 34 ALA H 3.000 . 3.500 2.408 2.275 2.522 . 0 0 "[ . 1 . 2 ]" 1
491 1 33 ASN H 1 34 ALA MB 5.000 . 6.000 3.764 3.684 3.818 . 0 0 "[ . 1 . 2 ]" 1
492 1 33 ASN HA 1 34 ALA H 4.000 . 4.750 3.154 3.098 3.257 . 0 0 "[ . 1 . 2 ]" 1
493 1 33 ASN HB3 1 34 ALA H 5.000 . 6.000 4.453 4.322 4.590 . 0 0 "[ . 1 . 2 ]" 1
494 1 33 ASN HB2 1 34 ALA H 5.000 . 6.000 4.471 4.362 4.610 . 0 0 "[ . 1 . 2 ]" 1
495 1 34 ALA H 1 35 SER H 5.000 . 6.000 4.668 4.648 4.686 . 0 0 "[ . 1 . 2 ]" 1
496 1 34 ALA HA 1 35 SER H 3.000 . 3.500 2.293 2.268 2.330 . 0 0 "[ . 1 . 2 ]" 1
497 1 34 ALA MB 1 35 SER H 4.000 . 4.750 2.879 2.773 2.959 . 0 0 "[ . 1 . 2 ]" 1
498 1 34 ALA MB 1 35 SER HA 5.000 . 6.000 4.337 4.296 4.369 . 0 0 "[ . 1 . 2 ]" 1
499 1 35 SER H 1 36 TRP H 5.000 . 6.000 4.646 4.633 4.653 . 0 0 "[ . 1 . 2 ]" 1
500 1 35 SER HA 1 36 TRP H 3.000 . 3.500 2.385 2.360 2.494 . 0 0 "[ . 1 . 2 ]" 1
501 1 35 SER QB 1 36 TRP H 4.000 . 4.750 2.923 2.706 2.984 . 0 0 "[ . 1 . 2 ]" 1
502 1 36 TRP H 1 37 GLU H 4.000 . 4.750 2.816 2.679 2.851 . 0 0 "[ . 1 . 2 ]" 1
503 1 36 TRP HA 1 37 GLU H 5.000 . 6.000 3.538 3.528 3.549 . 0 0 "[ . 1 . 2 ]" 1
504 1 36 TRP HB3 1 37 GLU H 4.000 . 4.750 2.755 2.696 2.804 . 0 0 "[ . 1 . 2 ]" 1
505 1 36 TRP HD1 1 37 GLU H 4.000 . 4.750 4.431 4.270 4.571 . 0 0 "[ . 1 . 2 ]" 1
506 1 36 TRP HD1 1 37 GLU HA 4.000 . 4.750 4.559 4.256 4.700 . 0 0 "[ . 1 . 2 ]" 1
507 1 36 TRP HD1 1 37 GLU QG 4.000 . 4.750 3.857 3.481 4.230 . 0 0 "[ . 1 . 2 ]" 1
508 1 37 GLU H 1 38 GLN H 3.000 . 3.500 2.760 2.732 2.787 . 0 0 "[ . 1 . 2 ]" 1
509 1 37 GLU HA 1 38 GLN H 4.000 . 4.750 3.590 3.582 3.597 . 0 0 "[ . 1 . 2 ]" 1
510 1 37 GLU QB 1 38 GLN H 4.000 . 4.750 2.410 2.273 2.522 . 0 0 "[ . 1 . 2 ]" 1
511 1 38 GLN H 1 39 ALA H 3.000 . 3.500 2.667 2.620 2.705 . 0 0 "[ . 1 . 2 ]" 1
512 1 38 GLN H 1 39 ALA MB 5.000 . 6.000 4.191 4.065 4.279 . 0 0 "[ . 1 . 2 ]" 1
513 1 38 GLN HA 1 39 ALA H 4.000 . 4.750 3.573 3.559 3.580 . 0 0 "[ . 1 . 2 ]" 1
514 1 38 GLN HB3 1 39 ALA H 3.000 . 3.500 3.296 3.102 3.494 . 0 0 "[ . 1 . 2 ]" 1
515 1 38 GLN HB3 1 39 ALA MB 5.000 . 6.000 4.377 4.144 4.581 . 0 0 "[ . 1 . 2 ]" 1
516 1 38 GLN HB2 1 39 ALA H 3.000 . 3.500 2.497 2.377 2.602 . 0 0 "[ . 1 . 2 ]" 1
517 1 38 GLN QG 1 39 ALA H 4.000 . 4.750 4.106 3.899 4.297 . 0 0 "[ . 1 . 2 ]" 1
518 1 39 ALA H 1 40 MET H 3.000 . 3.500 2.672 2.614 2.727 . 0 0 "[ . 1 . 2 ]" 1
519 1 39 ALA H 1 40 MET HB3 5.000 . 6.000 4.704 4.634 4.785 . 0 0 "[ . 1 . 2 ]" 1
520 1 39 ALA H 1 40 MET HB2 5.000 . 6.000 5.054 4.957 5.118 . 0 0 "[ . 1 . 2 ]" 1
521 1 39 ALA HA 1 40 MET H 4.000 . 4.750 3.572 3.553 3.584 . 0 0 "[ . 1 . 2 ]" 1
522 1 39 ALA MB 1 40 MET H 4.000 . 4.750 2.495 2.272 2.650 . 0 0 "[ . 1 . 2 ]" 1
523 1 39 ALA MB 1 40 MET HA 5.000 . 6.000 3.792 3.687 3.882 . 0 0 "[ . 1 . 2 ]" 1
524 1 40 MET H 1 41 LYS H 4.000 . 4.750 2.821 2.740 2.918 . 0 0 "[ . 1 . 2 ]" 1
525 1 40 MET H 1 41 LYS HA 5.000 . 6.000 5.444 5.380 5.515 . 0 0 "[ . 1 . 2 ]" 1
526 1 40 MET HA 1 41 LYS H 5.000 . 6.000 3.599 3.586 3.608 . 0 0 "[ . 1 . 2 ]" 1
527 1 40 MET HB3 1 41 LYS H 4.000 . 4.750 2.397 2.345 2.453 . 0 0 "[ . 1 . 2 ]" 1
528 1 40 MET HB2 1 41 LYS H 4.000 . 4.750 3.822 3.768 3.859 . 0 0 "[ . 1 . 2 ]" 1
529 1 40 MET ME 1 41 LYS H 5.000 . 6.000 3.981 3.622 4.552 . 0 0 "[ . 1 . 2 ]" 1
530 1 40 MET QG 1 41 LYS H 5.000 . 6.000 3.518 3.151 3.910 . 0 0 "[ . 1 . 2 ]" 1
531 1 41 LYS H 1 42 MET H 3.000 . 3.500 2.770 2.674 2.822 . 0 0 "[ . 1 . 2 ]" 1
532 1 41 LYS H 1 42 MET QG 5.000 . 6.000 4.367 4.171 4.667 . 0 0 "[ . 1 . 2 ]" 1
533 1 41 LYS HA 1 42 MET H 4.000 . 4.750 3.583 3.574 3.590 . 0 0 "[ . 1 . 2 ]" 1
534 1 41 LYS QB 1 42 MET H 4.000 . 4.750 2.673 2.314 3.309 . 0 0 "[ . 1 . 2 ]" 1
535 1 42 MET H 1 43 ILE H 3.000 . 3.500 2.735 2.690 2.766 . 0 0 "[ . 1 . 2 ]" 1
536 1 42 MET H 1 43 ILE HA 5.000 . 6.000 5.399 5.363 5.425 . 0 0 "[ . 1 . 2 ]" 1
537 1 42 MET H 1 43 ILE MG 5.000 . 6.000 3.893 3.786 4.004 . 0 0 "[ . 1 . 2 ]" 1
538 1 42 MET HA 1 43 ILE H 4.000 . 4.750 3.536 3.501 3.556 . 0 0 "[ . 1 . 2 ]" 1
539 1 42 MET HA 1 43 ILE MG 5.000 . 6.000 4.367 4.298 4.435 . 0 0 "[ . 1 . 2 ]" 1
540 1 42 MET HB3 1 43 ILE H 4.000 . 4.750 3.715 3.570 3.844 . 0 0 "[ . 1 . 2 ]" 1
541 1 42 MET HB2 1 43 ILE H 4.000 . 4.750 2.738 2.647 2.857 . 0 0 "[ . 1 . 2 ]" 1
542 1 42 MET HB2 1 43 ILE MG 4.000 . 4.750 2.624 2.466 2.742 . 0 0 "[ . 1 . 2 ]" 1
543 1 42 MET ME 1 43 ILE MG 5.000 . 6.000 4.006 3.790 4.168 . 0 0 "[ . 1 . 2 ]" 1
544 1 42 MET QG 1 43 ILE MG 5.000 . 6.000 4.267 4.101 4.458 . 0 0 "[ . 1 . 2 ]" 1
545 1 43 ILE H 1 44 ILE H 2.500 . 2.800 2.309 2.216 2.394 . 0 0 "[ . 1 . 2 ]" 1
546 1 43 ILE HA 1 44 ILE H 4.000 . 4.750 3.521 3.503 3.537 . 0 0 "[ . 1 . 2 ]" 1
547 1 43 ILE HB 1 44 ILE H 4.000 . 4.750 4.031 3.967 4.104 . 0 0 "[ . 1 . 2 ]" 1
548 1 43 ILE HG13 1 44 ILE H 3.000 . 3.500 2.354 2.236 2.474 . 0 0 "[ . 1 . 2 ]" 1
549 1 43 ILE HG13 1 44 ILE HA 4.000 . 4.750 3.130 3.089 3.186 . 0 0 "[ . 1 . 2 ]" 1
550 1 43 ILE HG12 1 44 ILE H 3.000 . 3.500 2.703 2.499 2.852 . 0 0 "[ . 1 . 2 ]" 1
551 1 43 ILE MG 1 44 ILE H 5.000 . 6.000 3.797 3.751 3.836 . 0 0 "[ . 1 . 2 ]" 1
552 1 43 ILE MD 1 44 ILE H 5.000 . 6.000 3.948 3.883 4.036 . 0 0 "[ . 1 . 2 ]" 1
553 1 43 ILE MD 1 44 ILE HA 5.000 . 6.000 4.417 4.254 4.572 . 0 0 "[ . 1 . 2 ]" 1
554 1 44 ILE H 1 45 ASN H 4.000 . 4.750 2.624 2.593 2.659 . 0 0 "[ . 1 . 2 ]" 1
555 1 44 ILE HA 1 45 ASN H 4.000 . 4.750 3.561 3.547 3.570 . 0 0 "[ . 1 . 2 ]" 1
556 1 44 ILE HB 1 45 ASN H 3.000 . 3.500 3.507 3.387 3.571 0.071 14 0 "[ . 1 . 2 ]" 1
557 1 44 ILE MG 1 45 ASN H 4.000 . 4.750 1.890 1.816 2.017 . 0 0 "[ . 1 . 2 ]" 1
558 1 44 ILE MG 1 45 ASN HA 5.000 . 6.000 2.878 2.845 2.958 . 0 0 "[ . 1 . 2 ]" 1
559 1 44 ILE MG 1 45 ASN QB 5.000 . 6.000 3.284 2.887 3.709 . 0 0 "[ . 1 . 2 ]" 1
560 1 44 ILE MG 1 45 ASN QD 5.000 . 6.000 3.491 1.850 4.459 . 0 0 "[ . 1 . 2 ]" 1
561 1 44 ILE QG 1 45 ASN H 4.000 . 4.750 4.156 4.085 4.270 . 0 0 "[ . 1 . 2 ]" 1
562 1 45 ASN H 1 46 ASP H 3.000 . 3.500 2.748 2.690 2.793 . 0 0 "[ . 1 . 2 ]" 1
563 1 45 ASN H 1 46 ASP HB2 5.000 . 6.000 4.882 4.664 5.071 . 0 0 "[ . 1 . 2 ]" 1
564 1 45 ASN HA 1 46 ASP H 4.000 . 4.750 3.473 3.449 3.495 . 0 0 "[ . 1 . 2 ]" 1
565 1 45 ASN QB 1 46 ASP H 3.000 . 3.500 2.924 2.810 3.192 . 0 0 "[ . 1 . 2 ]" 1
566 1 46 ASP H 1 47 PRO HD2 5.000 . 6.000 4.819 4.762 4.848 . 0 0 "[ . 1 . 2 ]" 1
567 1 46 ASP HA 1 47 PRO HG3 5.000 . 6.000 4.441 4.422 4.465 . 0 0 "[ . 1 . 2 ]" 1
568 1 46 ASP HA 1 47 PRO HG2 5.000 . 6.000 4.351 4.281 4.377 . 0 0 "[ . 1 . 2 ]" 1
569 1 46 ASP HA 1 47 PRO HD3 3.000 . 3.500 2.386 2.346 2.447 . 0 0 "[ . 1 . 2 ]" 1
570 1 46 ASP HA 1 47 PRO HD2 3.000 . 3.500 2.180 2.103 2.213 . 0 0 "[ . 1 . 2 ]" 1
571 1 46 ASP HB3 1 47 PRO HD3 5.000 . 6.000 4.833 4.721 4.903 . 0 0 "[ . 1 . 2 ]" 1
572 1 46 ASP HB3 1 47 PRO HD2 5.000 . 6.000 3.752 3.640 3.823 . 0 0 "[ . 1 . 2 ]" 1
573 1 46 ASP HB2 1 47 PRO HD3 4.000 . 4.750 4.776 4.737 4.811 0.061 18 0 "[ . 1 . 2 ]" 1
574 1 46 ASP HB2 1 47 PRO HD2 5.000 . 6.000 3.759 3.660 3.846 . 0 0 "[ . 1 . 2 ]" 1
575 1 47 PRO HA 1 48 ARG H 5.000 . 6.000 3.471 3.424 3.513 . 0 0 "[ . 1 . 2 ]" 1
576 1 47 PRO HB2 1 48 ARG H 5.000 . 6.000 3.649 3.509 3.716 . 0 0 "[ . 1 . 2 ]" 1
577 1 47 PRO HG3 1 48 ARG H 5.000 . 6.000 4.260 4.116 4.330 . 0 0 "[ . 1 . 2 ]" 1
578 1 47 PRO HG2 1 48 ARG H 5.000 . 6.000 2.821 2.599 2.930 . 0 0 "[ . 1 . 2 ]" 1
579 1 47 PRO HD3 1 48 ARG H 5.000 . 6.000 4.001 3.943 4.082 . 0 0 "[ . 1 . 2 ]" 1
580 1 47 PRO HD2 1 48 ARG H 4.000 . 4.750 2.932 2.853 3.037 . 0 0 "[ . 1 . 2 ]" 1
581 1 48 ARG H 1 49 TYR H 4.000 . 4.750 2.682 2.638 2.733 . 0 0 "[ . 1 . 2 ]" 1
582 1 48 ARG HA 1 49 TYR H 3.000 . 3.500 3.503 3.491 3.521 0.021 12 0 "[ . 1 . 2 ]" 1
583 1 48 ARG HB3 1 49 TYR H 5.000 . 6.000 3.707 3.527 3.969 . 0 0 "[ . 1 . 2 ]" 1
584 1 48 ARG HB2 1 49 TYR H 5.000 . 6.000 3.021 2.893 3.118 . 0 0 "[ . 1 . 2 ]" 1
585 1 48 ARG HE 1 49 TYR H 5.000 . 6.000 5.682 5.058 6.012 0.012 10 0 "[ . 1 . 2 ]" 1
586 1 48 ARG QG 1 49 TYR H 5.000 . 6.000 4.389 3.973 4.662 . 0 0 "[ . 1 . 2 ]" 1
587 1 49 TYR H 1 50 SER H 3.000 . 3.500 2.662 2.630 2.707 . 0 0 "[ . 1 . 2 ]" 1
588 1 49 TYR HA 1 50 SER H 3.000 . 3.500 3.527 3.515 3.540 0.040 6 0 "[ . 1 . 2 ]" 1
589 1 49 TYR HB3 1 50 SER H 4.000 . 4.750 2.716 2.606 2.814 . 0 0 "[ . 1 . 2 ]" 1
590 1 49 TYR HB2 1 50 SER H 4.000 . 4.750 3.747 3.641 3.817 . 0 0 "[ . 1 . 2 ]" 1
591 1 49 TYR QD 1 50 SER HA 5.000 . 6.000 4.038 3.840 4.252 . 0 0 "[ . 1 . 2 ]" 1
592 1 49 TYR QD 1 50 SER QB 5.000 . 6.000 4.623 4.461 4.781 . 0 0 "[ . 1 . 2 ]" 1
593 1 50 SER H 1 51 ALA H 3.000 . 3.500 2.569 2.536 2.596 . 0 0 "[ . 1 . 2 ]" 1
594 1 50 SER H 1 51 ALA MB 5.000 . 6.000 4.117 4.055 4.157 . 0 0 "[ . 1 . 2 ]" 1
595 1 50 SER HA 1 51 ALA H 4.000 . 4.750 3.372 3.357 3.405 . 0 0 "[ . 1 . 2 ]" 1
596 1 50 SER QB 1 51 ALA H 4.000 . 4.750 3.335 3.106 3.768 . 0 0 "[ . 1 . 2 ]" 1
597 1 51 ALA H 1 52 LEU H 3.000 . 3.500 2.579 2.544 2.617 . 0 0 "[ . 1 . 2 ]" 1
598 1 51 ALA HA 1 52 LEU H 4.000 . 4.750 3.487 3.447 3.514 . 0 0 "[ . 1 . 2 ]" 1
599 1 51 ALA MB 1 52 LEU H 5.000 . 6.000 2.810 2.766 2.902 . 0 0 "[ . 1 . 2 ]" 1
600 1 51 ALA MB 1 52 LEU HG 5.000 . 6.000 2.767 2.660 2.939 . 0 0 "[ . 1 . 2 ]" 1
601 1 51 ALA MB 1 52 LEU MD1 5.000 . 6.000 3.963 3.777 4.077 . 0 0 "[ . 1 . 2 ]" 1
602 1 51 ALA MB 1 52 LEU MD2 5.000 . 6.000 3.401 3.147 3.804 . 0 0 "[ . 1 . 2 ]" 1
603 1 51 ALA MB 1 52 LEU QB 5.000 . 6.000 3.788 3.727 3.861 . 0 0 "[ . 1 . 2 ]" 1
604 1 52 LEU H 1 53 ALA H 5.000 . 6.000 4.296 4.225 4.360 . 0 0 "[ . 1 . 2 ]" 1
605 1 52 LEU HA 1 53 ALA H 3.000 . 3.500 2.193 2.169 2.206 . 0 0 "[ . 1 . 2 ]" 1
606 1 52 LEU HA 1 53 ALA MB 5.000 . 6.000 3.896 3.834 3.955 . 0 0 "[ . 1 . 2 ]" 1
607 1 52 LEU HG 1 53 ALA H 5.000 . 6.000 5.166 4.908 5.296 . 0 0 "[ . 1 . 2 ]" 1
608 1 52 LEU MD1 1 53 ALA H 5.000 . 6.000 5.032 4.993 5.076 . 0 0 "[ . 1 . 2 ]" 1
609 1 52 LEU MD2 1 53 ALA H 5.000 . 6.000 3.301 3.068 3.457 . 0 0 "[ . 1 . 2 ]" 1
610 1 52 LEU QB 1 53 ALA H 5.000 . 6.000 3.439 3.339 3.522 . 0 0 "[ . 1 . 2 ]" 1
611 1 53 ALA H 1 54 LYS H 3.000 . 3.500 2.534 2.486 2.600 . 0 0 "[ . 1 . 2 ]" 1
612 1 53 ALA HA 1 54 LYS H 4.000 . 4.750 3.550 3.525 3.581 . 0 0 "[ . 1 . 2 ]" 1
613 1 53 ALA MB 1 54 LYS H 4.000 . 4.750 2.683 2.477 2.851 . 0 0 "[ . 1 . 2 ]" 1
614 1 54 LYS H 1 55 LEU H 4.000 . 4.750 4.576 4.496 4.603 . 0 0 "[ . 1 . 2 ]" 1
615 1 54 LYS HA 1 55 LEU H 5.000 . 6.000 2.244 2.226 2.265 . 0 0 "[ . 1 . 2 ]" 1
616 1 54 LYS QB 1 55 LEU H 4.000 . 4.750 3.257 3.007 3.488 . 0 0 "[ . 1 . 2 ]" 1
617 1 54 LYS QG 1 55 LEU H 5.000 . 6.000 3.593 2.576 4.382 . 0 0 "[ . 1 . 2 ]" 1
618 1 55 LEU H 1 56 SER H 3.000 . 3.500 2.556 2.500 2.648 . 0 0 "[ . 1 . 2 ]" 1
619 1 55 LEU HA 1 56 SER H 5.000 . 6.000 3.534 3.523 3.551 . 0 0 "[ . 1 . 2 ]" 1
620 1 55 LEU QB 1 56 SER H 4.000 . 4.750 2.774 2.619 2.856 . 0 0 "[ . 1 . 2 ]" 1
621 1 55 LEU QD 1 56 SER H 5.000 . 6.000 3.712 3.501 4.191 . 0 0 "[ . 1 . 2 ]" 1
622 1 56 SER H 1 57 GLU H 4.000 . 4.750 2.779 2.672 2.802 . 0 0 "[ . 1 . 2 ]" 1
623 1 56 SER HA 1 57 GLU H 4.000 . 4.750 3.578 3.547 3.585 . 0 0 "[ . 1 . 2 ]" 1
624 1 56 SER QB 1 57 GLU H 4.000 . 4.750 2.597 2.369 3.276 . 0 0 "[ . 1 . 2 ]" 1
625 1 57 GLU H 1 58 LYS H 3.000 . 3.500 2.493 2.477 2.512 . 0 0 "[ . 1 . 2 ]" 1
626 1 57 GLU HA 1 58 LYS H 4.000 . 4.750 3.548 3.542 3.558 . 0 0 "[ . 1 . 2 ]" 1
627 1 57 GLU QB 1 58 LYS H 4.000 . 4.750 3.388 3.079 3.419 . 0 0 "[ . 1 . 2 ]" 1
628 1 57 GLU QG 1 58 LYS H 3.000 . 3.500 1.854 1.823 2.167 . 0 0 "[ . 1 . 2 ]" 1
629 1 58 LYS H 1 59 LYS H 3.000 . 3.500 2.719 2.602 2.748 . 0 0 "[ . 1 . 2 ]" 1
630 1 58 LYS H 1 59 LYS HB2 5.000 . 6.000 4.678 4.488 5.024 . 0 0 "[ . 1 . 2 ]" 1
631 1 58 LYS HA 1 59 LYS H 4.000 . 4.750 3.562 3.510 3.573 . 0 0 "[ . 1 . 2 ]" 1
632 1 58 LYS QB 1 59 LYS H 3.000 . 3.500 2.474 2.387 2.628 . 0 0 "[ . 1 . 2 ]" 1
633 1 58 LYS QG 1 59 LYS H 4.000 . 4.750 4.151 3.999 4.217 . 0 0 "[ . 1 . 2 ]" 1
634 1 59 LYS H 1 60 GLN H 3.000 . 3.500 2.594 2.510 2.719 . 0 0 "[ . 1 . 2 ]" 1
635 1 59 LYS HA 1 60 GLN H 4.000 . 4.750 3.567 3.539 3.591 . 0 0 "[ . 1 . 2 ]" 1
636 1 59 LYS HB3 1 60 GLN H 4.000 . 4.750 3.527 3.251 3.800 . 0 0 "[ . 1 . 2 ]" 1
637 1 59 LYS HB2 1 60 GLN H 4.000 . 4.750 2.597 2.438 2.809 . 0 0 "[ . 1 . 2 ]" 1
638 1 59 LYS QG 1 60 GLN H 5.000 . 6.000 4.078 3.648 4.297 . 0 0 "[ . 1 . 2 ]" 1
639 1 60 GLN H 1 61 ALA H 3.000 . 3.500 2.690 2.644 2.731 . 0 0 "[ . 1 . 2 ]" 1
640 1 60 GLN H 1 61 ALA MB 5.000 . 6.000 4.237 4.160 4.296 . 0 0 "[ . 1 . 2 ]" 1
641 1 60 GLN HA 1 61 ALA H 4.000 . 4.750 3.556 3.537 3.567 . 0 0 "[ . 1 . 2 ]" 1
642 1 60 GLN QB 1 61 ALA H 3.000 . 3.500 2.571 2.468 3.156 . 0 0 "[ . 1 . 2 ]" 1
643 1 60 GLN QG 1 61 ALA H 4.000 . 4.750 4.065 1.869 4.315 . 0 0 "[ . 1 . 2 ]" 1
644 1 61 ALA H 1 62 PHE H 3.000 . 3.500 2.589 2.524 2.671 . 0 0 "[ . 1 . 2 ]" 1
645 1 61 ALA H 1 62 PHE HB3 5.000 . 6.000 4.491 4.426 4.540 . 0 0 "[ . 1 . 2 ]" 1
646 1 61 ALA H 1 62 PHE HB2 5.000 . 6.000 5.096 5.028 5.168 . 0 0 "[ . 1 . 2 ]" 1
647 1 61 ALA HA 1 62 PHE H 4.000 . 4.750 3.566 3.553 3.577 . 0 0 "[ . 1 . 2 ]" 1
648 1 61 ALA MB 1 62 PHE H 4.000 . 4.750 2.512 2.368 2.646 . 0 0 "[ . 1 . 2 ]" 1
649 1 61 ALA MB 1 62 PHE HA 5.000 . 6.000 3.863 3.772 3.902 . 0 0 "[ . 1 . 2 ]" 1
650 1 62 PHE H 1 63 ASN H 3.000 . 3.500 2.696 2.636 2.767 . 0 0 "[ . 1 . 2 ]" 1
651 1 62 PHE HA 1 63 ASN H 4.000 . 4.750 3.576 3.566 3.583 . 0 0 "[ . 1 . 2 ]" 1
652 1 62 PHE QD 1 63 ASN H 4.000 . 4.750 3.813 3.776 3.829 . 0 0 "[ . 1 . 2 ]" 1
653 1 62 PHE QE 1 63 ASN H 5.000 . 6.000 5.378 5.353 5.408 . 0 0 "[ . 1 . 2 ]" 1
654 1 63 ASN H 1 64 ALA H 3.000 . 3.500 2.681 2.625 2.754 . 0 0 "[ . 1 . 2 ]" 1
655 1 63 ASN H 1 64 ALA MB 5.000 . 6.000 4.191 4.098 4.295 . 0 0 "[ . 1 . 2 ]" 1
656 1 63 ASN HA 1 64 ALA H 3.000 . 3.500 3.555 3.542 3.567 0.067 23 0 "[ . 1 . 2 ]" 1
657 1 63 ASN QB 1 64 ALA H 3.000 . 3.500 2.493 2.274 3.162 . 0 0 "[ . 1 . 2 ]" 1
658 1 64 ALA H 1 65 TYR H 3.000 . 3.500 2.595 2.527 2.688 . 0 0 "[ . 1 . 2 ]" 1
659 1 64 ALA H 1 65 TYR HB3 4.000 . 4.750 4.431 4.346 4.535 . 0 0 "[ . 1 . 2 ]" 1
660 1 64 ALA H 1 65 TYR HB2 5.000 . 6.000 5.143 5.036 5.258 . 0 0 "[ . 1 . 2 ]" 1
661 1 64 ALA HA 1 65 TYR H 4.000 . 4.750 3.537 3.529 3.549 . 0 0 "[ . 1 . 2 ]" 1
662 1 64 ALA MB 1 65 TYR H 4.000 . 4.750 2.610 2.521 2.716 . 0 0 "[ . 1 . 2 ]" 1
663 1 65 TYR H 1 66 LYS H 3.000 . 3.500 2.721 2.677 2.746 . 0 0 "[ . 1 . 2 ]" 1
664 1 65 TYR HA 1 66 LYS H 4.000 . 4.750 3.573 3.552 3.581 . 0 0 "[ . 1 . 2 ]" 1
665 1 65 TYR HB2 1 66 LYS H 4.000 . 4.750 3.942 3.900 3.973 . 0 0 "[ . 1 . 2 ]" 1
666 1 65 TYR QD 1 66 LYS H 3.000 . 3.500 2.651 2.529 2.718 . 0 0 "[ . 1 . 2 ]" 1
667 1 65 TYR QD 1 66 LYS HB3 4.000 . 4.750 4.282 4.250 4.391 . 0 0 "[ . 1 . 2 ]" 1
668 1 65 TYR QD 1 66 LYS HB2 4.000 . 4.750 4.118 3.551 4.247 . 0 0 "[ . 1 . 2 ]" 1
669 1 65 TYR QD 1 66 LYS QG 3.000 . 3.500 1.891 1.820 1.990 . 0 0 "[ . 1 . 2 ]" 1
670 1 65 TYR QE 1 66 LYS H 5.000 . 6.000 4.790 4.717 4.852 . 0 0 "[ . 1 . 2 ]" 1
671 1 65 TYR QE 1 66 LYS QG 5.000 . 6.000 2.979 2.742 3.152 . 0 0 "[ . 1 . 2 ]" 1
672 1 66 LYS H 1 67 VAL H 3.000 . 3.500 2.582 2.505 2.639 . 0 0 "[ . 1 . 2 ]" 1
673 1 66 LYS H 1 67 VAL HB 4.000 . 4.750 4.645 4.496 4.767 0.017 1 0 "[ . 1 . 2 ]" 1
674 1 66 LYS H 1 67 VAL MG2 5.000 . 6.000 3.968 3.733 4.164 . 0 0 "[ . 1 . 2 ]" 1
675 1 66 LYS HA 1 67 VAL H 4.000 . 4.750 3.546 3.519 3.571 . 0 0 "[ . 1 . 2 ]" 1
676 1 66 LYS HA 1 67 VAL MG2 5.000 . 6.000 4.820 4.601 5.008 . 0 0 "[ . 1 . 2 ]" 1
677 1 66 LYS HB3 1 67 VAL H 4.000 . 4.750 3.752 3.362 3.886 . 0 0 "[ . 1 . 2 ]" 1
678 1 66 LYS HB2 1 67 VAL H 4.000 . 4.750 2.647 2.468 2.872 . 0 0 "[ . 1 . 2 ]" 1
679 1 66 LYS QG 1 67 VAL H 5.000 . 6.000 3.915 3.776 4.401 . 0 0 "[ . 1 . 2 ]" 1
680 1 67 VAL H 1 68 GLN H 3.000 . 3.500 2.577 2.363 2.702 . 0 0 "[ . 1 . 2 ]" 1
681 1 67 VAL HA 1 68 GLN H 3.000 . 3.500 3.501 3.468 3.541 0.041 19 0 "[ . 1 . 2 ]" 1
682 1 67 VAL HB 1 68 GLN H 3.000 . 3.500 2.883 2.668 3.050 . 0 0 "[ . 1 . 2 ]" 1
683 1 67 VAL MG1 1 68 GLN H 5.000 . 6.000 3.659 3.457 3.883 . 0 0 "[ . 1 . 2 ]" 1
684 1 67 VAL MG1 1 68 GLN HA 5.000 . 6.000 3.669 3.409 3.936 . 0 0 "[ . 1 . 2 ]" 1
685 1 67 VAL MG2 1 68 GLN H 5.000 . 6.000 3.945 3.794 4.108 . 0 0 "[ . 1 . 2 ]" 1
686 1 68 GLN H 1 69 THR H 3.000 . 3.500 2.463 2.234 2.663 . 0 0 "[ . 1 . 2 ]" 1
687 1 68 GLN HA 1 69 THR H 3.000 . 3.500 3.474 3.427 3.520 0.020 19 0 "[ . 1 . 2 ]" 1
688 1 68 GLN HA 1 69 THR MG 5.000 . 6.000 4.771 4.279 5.007 . 0 0 "[ . 1 . 2 ]" 1
689 1 68 GLN QB 1 69 THR H 4.000 . 4.750 3.032 2.731 3.660 . 0 0 "[ . 1 . 2 ]" 1
690 1 68 GLN QG 1 69 THR H 5.000 . 6.000 4.048 2.080 4.776 . 0 0 "[ . 1 . 2 ]" 1
691 1 69 THR H 1 70 GLU H 4.000 . 4.750 2.375 2.095 2.686 . 0 0 "[ . 1 . 2 ]" 1
692 1 69 THR HA 1 70 GLU H 4.000 . 4.750 3.295 3.126 3.419 . 0 0 "[ . 1 . 2 ]" 1
693 1 69 THR HB 1 70 GLU H 5.000 . 6.000 4.261 3.918 4.504 . 0 0 "[ . 1 . 2 ]" 1
694 1 69 THR MG 1 70 GLU H 5.000 . 6.000 3.628 2.281 4.384 . 0 0 "[ . 1 . 2 ]" 1
695 1 70 GLU H 1 71 LYS H 4.000 . 4.750 3.998 2.213 4.705 . 0 0 "[ . 1 . 2 ]" 1
696 1 70 GLU HA 1 71 LYS H 3.000 . 3.500 2.991 2.231 3.573 0.073 5 0 "[ . 1 . 2 ]" 1
697 1 70 GLU QB 1 71 LYS H 4.000 . 4.750 2.442 1.799 4.038 0.001 9 0 "[ . 1 . 2 ]" 1
698 1 70 GLU QG 1 71 LYS H 5.000 . 6.000 3.771 2.122 4.568 . 0 0 "[ . 1 . 2 ]" 1
699 1 7 LYS QB 1 9 TYR QD 5.000 . 6.000 3.935 3.516 4.533 . 0 0 "[ . 1 . 2 ]" 1
700 1 7 LYS QB 1 9 TYR QE 4.000 . 4.750 3.496 2.599 3.789 . 0 0 "[ . 1 . 2 ]" 1
701 1 9 TYR HA 1 11 TRP HZ2 5.000 . 6.000 5.952 5.674 6.060 0.060 14 0 "[ . 1 . 2 ]" 1
702 1 9 TYR HA 1 11 TRP HZ3 5.000 . 6.000 4.648 4.402 5.468 . 0 0 "[ . 1 . 2 ]" 1
703 1 9 TYR HA 1 11 TRP HH2 5.000 . 6.000 4.856 4.740 5.416 . 0 0 "[ . 1 . 2 ]" 1
704 1 9 TYR QB 1 11 TRP HE3 5.000 . 6.000 3.639 3.410 4.434 . 0 0 "[ . 1 . 2 ]" 1
705 1 9 TYR QB 1 11 TRP HZ2 5.000 . 6.000 3.234 2.726 3.421 . 0 0 "[ . 1 . 2 ]" 1
706 1 9 TYR QB 1 11 TRP HZ3 4.000 . 4.750 2.360 1.854 4.080 . 0 0 "[ . 1 . 2 ]" 1
707 1 9 TYR QB 1 11 TRP HH2 5.000 . 6.000 2.152 1.917 3.455 . 0 0 "[ . 1 . 2 ]" 1
708 1 11 TRP HA 1 13 THR H 4.000 . 4.750 3.896 3.458 4.386 . 0 0 "[ . 1 . 2 ]" 1
709 1 11 TRP HD1 1 13 THR H 4.000 . 4.750 4.367 3.897 4.766 0.016 2 0 "[ . 1 . 2 ]" 1
710 1 11 TRP QB 1 13 THR H 5.000 . 6.000 3.681 3.130 4.149 . 0 0 "[ . 1 . 2 ]" 1
711 1 13 THR HB 1 15 GLU H 4.000 . 4.750 3.147 2.540 4.603 . 0 0 "[ . 1 . 2 ]" 1
712 1 13 THR MG 1 15 GLU H 5.000 . 6.000 4.059 2.863 4.609 . 0 0 "[ . 1 . 2 ]" 1
713 1 14 LYS HA 1 16 GLU H 4.000 . 4.750 4.586 4.371 4.728 . 0 0 "[ . 1 . 2 ]" 1
714 1 15 GLU H 1 17 ALA H 5.000 . 6.000 4.180 3.990 4.330 . 0 0 "[ . 1 . 2 ]" 1
715 1 15 GLU H 1 17 ALA MB 5.000 . 6.000 4.623 4.434 4.767 . 0 0 "[ . 1 . 2 ]" 1
716 1 15 GLU HA 1 17 ALA H 4.000 . 4.750 4.610 4.446 4.746 . 0 0 "[ . 1 . 2 ]" 1
717 1 16 GLU H 1 18 LYS H 4.000 . 4.750 4.278 4.188 4.356 . 0 0 "[ . 1 . 2 ]" 1
718 1 16 GLU HA 1 18 LYS H 5.000 . 6.000 4.660 4.579 4.734 . 0 0 "[ . 1 . 2 ]" 1
719 1 17 ALA HA 1 19 GLN H 5.000 . 6.000 4.371 4.246 4.481 . 0 0 "[ . 1 . 2 ]" 1
720 1 17 ALA MB 1 19 GLN H 5.000 . 6.000 4.313 4.231 4.381 . 0 0 "[ . 1 . 2 ]" 1
721 1 18 LYS H 1 20 ALA H 4.000 . 4.750 4.207 4.027 4.342 . 0 0 "[ . 1 . 2 ]" 1
722 1 18 LYS H 1 20 ALA MB 5.000 . 6.000 4.847 4.717 4.990 . 0 0 "[ . 1 . 2 ]" 1
723 1 18 LYS HA 1 20 ALA H 4.000 . 4.750 4.472 4.231 4.602 . 0 0 "[ . 1 . 2 ]" 1
724 1 19 GLN HA 1 21 PHE H 4.000 . 4.750 4.324 4.220 4.419 . 0 0 "[ . 1 . 2 ]" 1
725 1 21 PHE H 1 23 GLU H 5.000 . 6.000 4.092 3.916 4.225 . 0 0 "[ . 1 . 2 ]" 1
726 1 21 PHE HA 1 23 GLU H 5.000 . 6.000 4.729 4.605 4.794 . 0 0 "[ . 1 . 2 ]" 1
727 1 22 LYS H 1 24 LEU H 4.000 . 4.750 3.773 3.690 3.864 . 0 0 "[ . 1 . 2 ]" 1
728 1 22 LYS HA 1 24 LEU H 5.000 . 6.000 4.121 4.034 4.230 . 0 0 "[ . 1 . 2 ]" 1
729 1 23 GLU H 1 25 LEU H 5.000 . 6.000 4.363 4.241 4.494 . 0 0 "[ . 1 . 2 ]" 1
730 1 23 GLU HA 1 25 LEU H 5.000 . 6.000 4.535 4.392 4.651 . 0 0 "[ . 1 . 2 ]" 1
731 1 24 LEU HA 1 26 LYS H 5.000 . 6.000 4.396 4.240 4.611 . 0 0 "[ . 1 . 2 ]" 1
732 1 26 LYS H 1 28 LYS H 4.000 . 4.750 3.844 3.791 3.909 . 0 0 "[ . 1 . 2 ]" 1
733 1 27 GLU H 1 29 ARG H 5.000 . 6.000 3.938 3.846 4.056 . 0 0 "[ . 1 . 2 ]" 1
734 1 27 GLU HA 1 29 ARG H 4.000 . 4.750 3.611 3.459 3.759 . 0 0 "[ . 1 . 2 ]" 1
735 1 28 LYS H 1 30 VAL H 4.000 . 4.750 3.823 3.613 4.020 . 0 0 "[ . 1 . 2 ]" 1
736 1 28 LYS H 1 30 VAL MG2 5.000 . 6.000 3.603 3.311 3.860 . 0 0 "[ . 1 . 2 ]" 1
737 1 28 LYS HA 1 30 VAL MG2 5.000 . 6.000 4.112 3.948 4.293 . 0 0 "[ . 1 . 2 ]" 1
738 1 28 LYS HB2 1 30 VAL H 4.000 . 4.750 3.386 3.148 3.631 . 0 0 "[ . 1 . 2 ]" 1
739 1 28 LYS HB2 1 30 VAL MG2 4.000 . 4.750 2.267 2.044 2.520 . 0 0 "[ . 1 . 2 ]" 1
740 1 28 LYS QG 1 30 VAL MG2 5.000 . 6.000 3.351 3.193 3.488 . 0 0 "[ . 1 . 2 ]" 1
741 1 28 LYS QD 1 30 VAL MG2 5.000 . 6.000 3.942 3.754 4.136 . 0 0 "[ . 1 . 2 ]" 1
742 1 30 VAL MG1 1 32 SER HA 5.000 . 6.000 4.483 4.252 5.007 . 0 0 "[ . 1 . 2 ]" 1
743 1 31 PRO HA 1 33 ASN H 5.000 . 6.000 3.950 3.909 3.994 . 0 0 "[ . 1 . 2 ]" 1
744 1 31 PRO QB 1 33 ASN H 3.000 . 3.500 2.171 2.141 2.213 . 0 0 "[ . 1 . 2 ]" 1
745 1 31 PRO QG 1 33 ASN H 3.000 . 3.500 3.141 3.125 3.166 . 0 0 "[ . 1 . 2 ]" 1
746 1 32 SER H 1 34 ALA H 5.000 . 6.000 4.351 4.239 4.429 . 0 0 "[ . 1 . 2 ]" 1
747 1 32 SER HA 1 34 ALA H 5.000 . 6.000 3.848 3.726 3.978 . 0 0 "[ . 1 . 2 ]" 1
748 1 35 SER H 1 37 GLU H 5.000 . 6.000 4.840 4.775 4.905 . 0 0 "[ . 1 . 2 ]" 1
749 1 35 SER HA 1 37 GLU H 5.000 . 6.000 4.116 4.052 4.252 . 0 0 "[ . 1 . 2 ]" 1
750 1 35 SER QB 1 37 GLU H 3.000 . 3.500 3.027 2.875 3.112 . 0 0 "[ . 1 . 2 ]" 1
751 1 36 TRP HA 1 38 GLN H 5.000 . 6.000 4.670 4.638 4.711 . 0 0 "[ . 1 . 2 ]" 1
752 1 37 GLU H 1 39 ALA H 5.000 . 6.000 4.194 4.129 4.252 . 0 0 "[ . 1 . 2 ]" 1
753 1 37 GLU H 1 39 ALA MB 5.000 . 6.000 4.737 4.586 4.863 . 0 0 "[ . 1 . 2 ]" 1
754 1 37 GLU HA 1 39 ALA H 5.000 . 6.000 4.847 4.805 4.879 . 0 0 "[ . 1 . 2 ]" 1
755 1 38 GLN H 1 40 MET H 5.000 . 6.000 4.098 3.985 4.234 . 0 0 "[ . 1 . 2 ]" 1
756 1 38 GLN HA 1 40 MET H 5.000 . 6.000 4.650 4.476 4.856 . 0 0 "[ . 1 . 2 ]" 1
757 1 39 ALA H 1 41 LYS H 5.000 . 6.000 4.388 4.289 4.489 . 0 0 "[ . 1 . 2 ]" 1
758 1 39 ALA MB 1 41 LYS H 5.000 . 6.000 4.672 4.596 4.795 . 0 0 "[ . 1 . 2 ]" 1
759 1 40 MET H 1 42 MET H 4.000 . 4.750 4.321 4.109 4.408 . 0 0 "[ . 1 . 2 ]" 1
760 1 40 MET HA 1 42 MET H 4.000 . 4.750 4.753 4.687 4.796 0.046 12 0 "[ . 1 . 2 ]" 1
761 1 41 LYS HA 1 43 ILE H 4.000 . 4.750 4.163 4.017 4.314 . 0 0 "[ . 1 . 2 ]" 1
762 1 42 MET HA 1 44 ILE H 5.000 . 6.000 4.529 4.439 4.615 . 0 0 "[ . 1 . 2 ]" 1
763 1 42 MET HB2 1 44 ILE H 5.000 . 6.000 4.913 4.821 5.009 . 0 0 "[ . 1 . 2 ]" 1
764 1 43 ILE H 1 45 ASN H 4.000 . 4.750 4.113 4.031 4.208 . 0 0 "[ . 1 . 2 ]" 1
765 1 43 ILE HA 1 45 ASN H 5.000 . 6.000 4.271 4.195 4.328 . 0 0 "[ . 1 . 2 ]" 1
766 1 44 ILE HA 1 46 ASP H 4.000 . 4.750 3.561 3.527 3.636 . 0 0 "[ . 1 . 2 ]" 1
767 1 44 ILE MG 1 46 ASP H 5.000 . 6.000 3.965 3.918 4.020 . 0 0 "[ . 1 . 2 ]" 1
768 1 46 ASP HB3 1 48 ARG H 5.000 . 6.000 3.034 2.919 3.170 . 0 0 "[ . 1 . 2 ]" 1
769 1 46 ASP HB2 1 48 ARG H 5.000 . 6.000 4.302 4.195 4.426 . 0 0 "[ . 1 . 2 ]" 1
770 1 47 PRO HA 1 49 TYR H 5.000 . 6.000 3.655 3.584 3.802 . 0 0 "[ . 1 . 2 ]" 1
771 1 48 ARG H 1 50 SER H 5.000 . 6.000 4.342 4.261 4.454 . 0 0 "[ . 1 . 2 ]" 1
772 1 49 TYR H 1 51 ALA H 5.000 . 6.000 3.950 3.816 4.060 . 0 0 "[ . 1 . 2 ]" 1
773 1 49 TYR HA 1 51 ALA H 4.000 . 4.750 3.514 3.453 3.606 . 0 0 "[ . 1 . 2 ]" 1
774 1 50 SER HA 1 52 LEU H 5.000 . 6.000 3.404 3.232 3.493 . 0 0 "[ . 1 . 2 ]" 1
775 1 50 SER HA 1 52 LEU QB 5.000 . 6.000 5.017 4.845 5.139 . 0 0 "[ . 1 . 2 ]" 1
776 1 52 LEU HA 1 54 LYS H 4.000 . 4.750 3.877 3.720 4.077 . 0 0 "[ . 1 . 2 ]" 1
777 1 52 LEU MD2 1 54 LYS H 5.000 . 6.000 4.049 3.820 4.259 . 0 0 "[ . 1 . 2 ]" 1
778 1 52 LEU QB 1 54 LYS H 4.000 . 4.750 3.421 3.185 3.665 . 0 0 "[ . 1 . 2 ]" 1
779 1 54 LYS HA 1 56 SER H 5.000 . 6.000 3.923 3.821 4.010 . 0 0 "[ . 1 . 2 ]" 1
780 1 54 LYS QB 1 56 SER H 5.000 . 6.000 2.839 2.633 3.132 . 0 0 "[ . 1 . 2 ]" 1
781 1 55 LEU HA 1 57 GLU H 5.000 . 6.000 4.325 4.124 4.383 . 0 0 "[ . 1 . 2 ]" 1
782 1 56 SER HA 1 58 LYS H 5.000 . 6.000 4.446 4.395 4.492 . 0 0 "[ . 1 . 2 ]" 1
783 1 57 GLU H 1 59 LYS H 5.000 . 6.000 4.126 3.884 4.195 . 0 0 "[ . 1 . 2 ]" 1
784 1 57 GLU HA 1 59 LYS H 5.000 . 6.000 4.314 4.033 4.430 . 0 0 "[ . 1 . 2 ]" 1
785 1 57 GLU QG 1 59 LYS H 4.000 . 4.750 4.268 4.240 4.328 . 0 0 "[ . 1 . 2 ]" 1
786 1 58 LYS HA 1 60 GLN H 5.000 . 6.000 4.550 4.408 4.697 . 0 0 "[ . 1 . 2 ]" 1
787 1 59 LYS HA 1 61 ALA H 5.000 . 6.000 4.356 4.241 4.499 . 0 0 "[ . 1 . 2 ]" 1
788 1 60 GLN H 1 62 PHE H 5.000 . 6.000 4.108 4.020 4.216 . 0 0 "[ . 1 . 2 ]" 1
789 1 62 PHE HA 1 64 ALA H 5.000 . 6.000 4.522 4.363 4.691 . 0 0 "[ . 1 . 2 ]" 1
790 1 63 ASN H 1 65 TYR H 5.000 . 6.000 3.920 3.849 3.981 . 0 0 "[ . 1 . 2 ]" 1
791 1 63 ASN HA 1 65 TYR H 4.000 . 4.750 4.244 4.190 4.328 . 0 0 "[ . 1 . 2 ]" 1
792 1 64 ALA HA 1 66 LYS H 4.000 . 4.750 4.423 4.380 4.457 . 0 0 "[ . 1 . 2 ]" 1
793 1 64 ALA MB 1 66 LYS H 5.000 . 6.000 4.593 4.539 4.622 . 0 0 "[ . 1 . 2 ]" 1
794 1 65 TYR H 1 67 VAL H 5.000 . 6.000 4.024 3.886 4.151 . 0 0 "[ . 1 . 2 ]" 1
795 1 65 TYR HA 1 67 VAL H 5.000 . 6.000 4.421 4.254 4.657 . 0 0 "[ . 1 . 2 ]" 1
796 1 66 LYS H 1 68 GLN H 4.000 . 4.750 4.015 3.877 4.238 . 0 0 "[ . 1 . 2 ]" 1
797 1 66 LYS HA 1 68 GLN H 5.000 . 6.000 4.062 3.793 4.375 . 0 0 "[ . 1 . 2 ]" 1
798 1 8 THR MG 1 11 TRP HE3 5.000 . 6.000 4.947 4.347 5.054 . 0 0 "[ . 1 . 2 ]" 1
799 1 13 THR H 1 16 GLU HA 5.000 . 6.000 5.843 5.567 6.003 0.003 4 0 "[ . 1 . 2 ]" 1
800 1 13 THR H 1 16 GLU QB 3.000 . 3.500 2.818 2.558 3.002 . 0 0 "[ . 1 . 2 ]" 1
801 1 13 THR H 1 16 GLU QG 4.000 . 4.750 3.739 3.138 4.232 . 0 0 "[ . 1 . 2 ]" 1
802 1 13 THR HB 1 16 GLU H 5.000 . 6.000 3.455 2.510 4.611 . 0 0 "[ . 1 . 2 ]" 1
803 1 13 THR MG 1 16 GLU QB 5.000 . 6.000 3.562 1.794 4.439 0.006 12 0 "[ . 1 . 2 ]" 1
804 1 13 THR MG 1 16 GLU QG 5.000 . 6.000 3.179 1.629 4.121 0.171 7 0 "[ . 1 . 2 ]" 1
805 1 14 LYS HA 1 17 ALA H 4.000 . 4.750 3.547 3.340 3.740 . 0 0 "[ . 1 . 2 ]" 1
806 1 14 LYS HA 1 17 ALA MB 4.000 . 4.750 2.505 2.216 2.735 . 0 0 "[ . 1 . 2 ]" 1
807 1 15 GLU HA 1 18 LYS H 4.000 . 4.750 3.713 3.576 3.802 . 0 0 "[ . 1 . 2 ]" 1
808 1 15 GLU HA 1 18 LYS HB3 3.000 . 3.500 3.169 2.934 3.329 . 0 0 "[ . 1 . 2 ]" 1
809 1 15 GLU HA 1 18 LYS HB2 3.000 . 3.500 3.447 3.150 3.522 0.022 18 0 "[ . 1 . 2 ]" 1
810 1 16 GLU HA 1 19 GLN H 3.000 . 3.500 3.464 3.292 3.539 0.039 12 0 "[ . 1 . 2 ]" 1
811 1 16 GLU HA 1 19 GLN QB 3.000 . 3.500 2.376 2.159 2.540 . 0 0 "[ . 1 . 2 ]" 1
812 1 17 ALA HA 1 20 ALA H 3.000 . 3.500 3.530 3.501 3.558 0.058 22 0 "[ . 1 . 2 ]" 1
813 1 17 ALA HA 1 20 ALA MB 5.000 . 6.000 2.755 2.597 2.987 . 0 0 "[ . 1 . 2 ]" 1
814 1 17 ALA MB 1 20 ALA H 5.000 . 6.000 4.623 4.542 4.666 . 0 0 "[ . 1 . 2 ]" 1
815 1 18 LYS H 1 21 PHE H 5.000 . 6.000 4.796 4.684 4.861 . 0 0 "[ . 1 . 2 ]" 1
816 1 18 LYS HA 1 21 PHE H 4.000 . 4.750 3.449 3.246 3.577 . 0 0 "[ . 1 . 2 ]" 1
817 1 18 LYS HA 1 21 PHE HB2 3.000 . 3.500 3.079 2.743 3.424 . 0 0 "[ . 1 . 2 ]" 1
818 1 19 GLN HA 1 22 LYS H 4.000 . 4.750 3.501 3.348 3.600 . 0 0 "[ . 1 . 2 ]" 1
819 1 19 GLN HA 1 22 LYS QB 3.000 . 3.500 2.778 2.475 3.166 . 0 0 "[ . 1 . 2 ]" 1
820 1 19 GLN HA 1 22 LYS QG 4.000 . 4.750 3.889 3.155 4.259 . 0 0 "[ . 1 . 2 ]" 1
821 1 19 GLN QB 1 22 LYS H 5.000 . 6.000 5.044 4.911 5.122 . 0 0 "[ . 1 . 2 ]" 1
822 1 19 GLN QG 1 22 LYS H 5.000 . 6.000 5.035 4.773 5.360 . 0 0 "[ . 1 . 2 ]" 1
823 1 20 ALA HA 1 23 GLU H 4.000 . 4.750 3.605 3.399 3.716 . 0 0 "[ . 1 . 2 ]" 1
824 1 20 ALA HA 1 23 GLU QB 3.000 . 3.500 2.451 2.169 2.803 . 0 0 "[ . 1 . 2 ]" 1
825 1 20 ALA MB 1 23 GLU H 5.000 . 6.000 4.754 4.624 4.836 . 0 0 "[ . 1 . 2 ]" 1
826 1 20 ALA MB 1 23 GLU QB 5.000 . 6.000 3.921 3.729 4.146 . 0 0 "[ . 1 . 2 ]" 1
827 1 21 PHE HA 1 24 LEU H 3.000 . 3.500 3.485 3.410 3.549 0.049 13 0 "[ . 1 . 2 ]" 1
828 1 21 PHE HA 1 24 LEU HB3 3.000 . 3.500 2.485 2.326 2.686 . 0 0 "[ . 1 . 2 ]" 1
829 1 21 PHE HA 1 24 LEU HB2 3.000 . 3.500 2.944 2.741 3.164 . 0 0 "[ . 1 . 2 ]" 1
830 1 21 PHE QD 1 24 LEU HB2 5.000 . 6.000 5.070 4.696 5.349 . 0 0 "[ . 1 . 2 ]" 1
831 1 22 LYS H 1 25 LEU MD1 5.000 . 6.000 4.283 4.069 4.472 . 0 0 "[ . 1 . 2 ]" 1
832 1 22 LYS HA 1 25 LEU H 4.000 . 4.750 3.389 3.231 3.564 . 0 0 "[ . 1 . 2 ]" 1
833 1 22 LYS HA 1 25 LEU HB3 4.000 . 4.750 4.360 4.191 4.560 . 0 0 "[ . 1 . 2 ]" 1
834 1 22 LYS HA 1 25 LEU HB2 3.000 . 3.500 2.793 2.613 3.007 . 0 0 "[ . 1 . 2 ]" 1
835 1 22 LYS HA 1 25 LEU MD1 4.000 . 4.750 2.553 2.052 2.898 . 0 0 "[ . 1 . 2 ]" 1
836 1 22 LYS HA 1 25 LEU MD2 5.000 . 6.000 4.625 4.333 4.848 . 0 0 "[ . 1 . 2 ]" 1
837 1 23 GLU HA 1 26 LYS H 3.000 . 3.500 3.311 3.156 3.470 . 0 0 "[ . 1 . 2 ]" 1
838 1 23 GLU HA 1 26 LYS QB 3.000 . 3.500 2.425 2.274 2.610 . 0 0 "[ . 1 . 2 ]" 1
839 1 23 GLU HA 1 26 LYS QD 5.000 . 6.000 3.667 2.770 5.147 . 0 0 "[ . 1 . 2 ]" 1
840 1 24 LEU HA 1 27 GLU H 4.000 . 4.750 3.521 3.373 3.642 . 0 0 "[ . 1 . 2 ]" 1
841 1 24 LEU HA 1 27 GLU QB 4.000 . 4.750 2.819 2.634 3.075 . 0 0 "[ . 1 . 2 ]" 1
842 1 24 LEU MD1 1 27 GLU H 5.000 . 6.000 4.250 3.996 4.502 . 0 0 "[ . 1 . 2 ]" 1
843 1 24 LEU MD1 1 27 GLU QB 5.000 . 6.000 2.967 2.669 3.227 . 0 0 "[ . 1 . 2 ]" 1
844 1 25 LEU HA 1 28 LYS H 5.000 . 6.000 3.329 3.264 3.387 . 0 0 "[ . 1 . 2 ]" 1
845 1 25 LEU HA 1 28 LYS HB3 3.000 . 3.500 3.515 3.430 3.572 0.072 9 0 "[ . 1 . 2 ]" 1
846 1 25 LEU HA 1 28 LYS HB2 5.000 . 6.000 2.222 2.138 2.303 . 0 0 "[ . 1 . 2 ]" 1
847 1 25 LEU MD2 1 28 LYS HB2 5.000 . 6.000 4.319 4.191 4.440 . 0 0 "[ . 1 . 2 ]" 1
848 1 26 LYS HA 1 29 ARG H 4.000 . 4.750 3.567 3.292 3.832 . 0 0 "[ . 1 . 2 ]" 1
849 1 31 PRO HA 1 34 ALA H 5.000 . 6.000 4.910 4.748 5.079 . 0 0 "[ . 1 . 2 ]" 1
850 1 31 PRO HA 1 34 ALA MB 5.000 . 6.000 4.425 4.291 4.500 . 0 0 "[ . 1 . 2 ]" 1
851 1 31 PRO HD3 1 34 ALA MB 4.000 . 4.750 3.349 3.252 3.480 . 0 0 "[ . 1 . 2 ]" 1
852 1 31 PRO HD2 1 34 ALA H 5.000 . 6.000 4.007 3.877 4.170 . 0 0 "[ . 1 . 2 ]" 1
853 1 31 PRO HD2 1 34 ALA MB 4.000 . 4.750 1.881 1.816 2.029 . 0 0 "[ . 1 . 2 ]" 1
854 1 31 PRO QB 1 34 ALA H 5.000 . 6.000 3.463 3.264 3.646 . 0 0 "[ . 1 . 2 ]" 1
855 1 31 PRO QB 1 34 ALA MB 5.000 . 6.000 3.499 3.391 3.609 . 0 0 "[ . 1 . 2 ]" 1
856 1 31 PRO QG 1 34 ALA H 3.000 . 3.500 2.708 2.541 2.906 . 0 0 "[ . 1 . 2 ]" 1
857 1 31 PRO QG 1 34 ALA HA 5.000 . 6.000 2.804 2.616 2.975 . 0 0 "[ . 1 . 2 ]" 1
858 1 31 PRO QG 1 34 ALA MB 3.000 . 3.500 1.863 1.808 2.043 . 0 0 "[ . 1 . 2 ]" 1
859 1 35 SER H 1 38 GLN H 4.000 . 4.750 3.484 3.417 3.544 . 0 0 "[ . 1 . 2 ]" 1
860 1 35 SER H 1 38 GLN HA 5.000 . 6.000 5.271 5.192 5.343 . 0 0 "[ . 1 . 2 ]" 1
861 1 35 SER H 1 38 GLN HB3 4.000 . 4.750 3.730 3.540 3.912 . 0 0 "[ . 1 . 2 ]" 1
862 1 35 SER H 1 38 GLN HB2 4.000 . 4.750 2.310 2.204 2.402 . 0 0 "[ . 1 . 2 ]" 1
863 1 35 SER H 1 38 GLN QG 5.000 . 6.000 3.301 2.774 4.132 . 0 0 "[ . 1 . 2 ]" 1
864 1 35 SER QB 1 38 GLN H 5.000 . 6.000 3.544 3.434 3.590 . 0 0 "[ . 1 . 2 ]" 1
865 1 36 TRP HA 1 39 ALA H 4.000 . 4.750 3.697 3.633 3.757 . 0 0 "[ . 1 . 2 ]" 1
866 1 36 TRP HA 1 39 ALA MB 4.000 . 4.750 2.666 2.457 2.867 . 0 0 "[ . 1 . 2 ]" 1
867 1 36 TRP HE3 1 39 ALA MB 5.000 . 6.000 2.819 2.603 3.076 . 0 0 "[ . 1 . 2 ]" 1
868 1 36 TRP HZ3 1 39 ALA MB 5.000 . 6.000 3.444 3.221 3.699 . 0 0 "[ . 1 . 2 ]" 1
869 1 37 GLU H 1 40 MET H 5.000 . 6.000 4.479 4.425 4.546 . 0 0 "[ . 1 . 2 ]" 1
870 1 37 GLU HA 1 40 MET H 4.000 . 4.750 3.912 3.782 4.036 . 0 0 "[ . 1 . 2 ]" 1
871 1 37 GLU HA 1 40 MET HB3 4.000 . 4.750 2.836 2.727 3.002 . 0 0 "[ . 1 . 2 ]" 1
872 1 37 GLU HA 1 40 MET HB2 4.000 . 4.750 4.047 3.903 4.195 . 0 0 "[ . 1 . 2 ]" 1
873 1 37 GLU HA 1 40 MET ME 4.000 . 4.750 3.265 2.550 3.910 . 0 0 "[ . 1 . 2 ]" 1
874 1 38 GLN HA 1 41 LYS H 4.000 . 4.750 3.907 3.808 4.024 . 0 0 "[ . 1 . 2 ]" 1
875 1 38 GLN HA 1 41 LYS QB 4.000 . 4.750 3.321 2.872 4.087 . 0 0 "[ . 1 . 2 ]" 1
876 1 38 GLN HA 1 41 LYS QD 3.000 . 3.500 2.860 2.010 3.162 . 0 0 "[ . 1 . 2 ]" 1
877 1 39 ALA HA 1 42 MET H 4.000 . 4.750 3.823 3.702 3.956 . 0 0 "[ . 1 . 2 ]" 1
878 1 39 ALA HA 1 42 MET HB3 4.000 . 4.750 4.267 4.043 4.476 . 0 0 "[ . 1 . 2 ]" 1
879 1 39 ALA HA 1 42 MET HB2 4.000 . 4.750 2.751 2.579 2.939 . 0 0 "[ . 1 . 2 ]" 1
880 1 39 ALA HA 1 42 MET ME 5.000 . 6.000 3.842 3.593 4.131 . 0 0 "[ . 1 . 2 ]" 1
881 1 39 ALA HA 1 42 MET QG 4.000 . 4.750 3.369 3.031 3.974 . 0 0 "[ . 1 . 2 ]" 1
882 1 39 ALA MB 1 42 MET HB2 5.000 . 6.000 4.292 4.162 4.464 . 0 0 "[ . 1 . 2 ]" 1
883 1 40 MET H 1 43 ILE HG12 5.000 . 6.000 4.072 3.984 4.174 . 0 0 "[ . 1 . 2 ]" 1
884 1 40 MET H 1 43 ILE MD 5.000 . 6.000 4.161 3.931 4.512 . 0 0 "[ . 1 . 2 ]" 1
885 1 40 MET HA 1 43 ILE H 4.000 . 4.750 3.629 3.572 3.656 . 0 0 "[ . 1 . 2 ]" 1
886 1 40 MET HA 1 43 ILE HB 4.000 . 4.750 4.668 4.602 4.771 0.021 8 0 "[ . 1 . 2 ]" 1
887 1 40 MET HA 1 43 ILE HG13 3.000 . 3.500 2.992 2.919 3.142 . 0 0 "[ . 1 . 2 ]" 1
888 1 40 MET HA 1 43 ILE HG12 3.000 . 3.500 1.932 1.846 2.055 . 0 0 "[ . 1 . 2 ]" 1
889 1 40 MET HA 1 43 ILE MG 5.000 . 6.000 3.409 3.308 3.536 . 0 0 "[ . 1 . 2 ]" 1
890 1 40 MET HA 1 43 ILE MD 4.000 . 4.750 2.026 1.830 2.275 . 0 0 "[ . 1 . 2 ]" 1
891 1 40 MET QG 1 43 ILE HG12 4.000 . 4.750 3.587 3.476 3.711 . 0 0 "[ . 1 . 2 ]" 1
892 1 40 MET QG 1 43 ILE MD 4.000 . 4.750 3.283 3.037 3.504 . 0 0 "[ . 1 . 2 ]" 1
893 1 41 LYS H 1 44 ILE MG 5.000 . 6.000 4.553 4.400 4.774 . 0 0 "[ . 1 . 2 ]" 1
894 1 41 LYS HA 1 44 ILE H 4.000 . 4.750 3.233 3.082 3.343 . 0 0 "[ . 1 . 2 ]" 1
895 1 41 LYS HA 1 44 ILE HB 4.000 . 4.750 2.660 2.344 2.886 . 0 0 "[ . 1 . 2 ]" 1
896 1 41 LYS HA 1 44 ILE MG 4.000 . 4.750 2.210 2.048 2.377 . 0 0 "[ . 1 . 2 ]" 1
897 1 41 LYS HA 1 44 ILE MD 4.000 . 4.750 3.333 2.948 3.656 . 0 0 "[ . 1 . 2 ]" 1
898 1 43 ILE HA 1 46 ASP H 5.000 . 6.000 3.594 3.481 3.654 . 0 0 "[ . 1 . 2 ]" 1
899 1 43 ILE HA 1 46 ASP HB3 5.000 . 6.000 3.423 3.251 3.568 . 0 0 "[ . 1 . 2 ]" 1
900 1 43 ILE HA 1 46 ASP HB2 5.000 . 6.000 3.657 3.199 4.030 . 0 0 "[ . 1 . 2 ]" 1
901 1 46 ASP H 1 49 TYR H 5.000 . 6.000 4.398 4.297 4.470 . 0 0 "[ . 1 . 2 ]" 1
902 1 46 ASP H 1 49 TYR HB3 5.000 . 6.000 4.998 4.762 5.153 . 0 0 "[ . 1 . 2 ]" 1
903 1 46 ASP HB3 1 49 TYR H 5.000 . 6.000 3.422 3.275 3.556 . 0 0 "[ . 1 . 2 ]" 1
904 1 46 ASP HB2 1 49 TYR H 5.000 . 6.000 5.095 4.954 5.218 . 0 0 "[ . 1 . 2 ]" 1
905 1 47 PRO HA 1 50 SER H 5.000 . 6.000 3.513 3.372 3.694 . 0 0 "[ . 1 . 2 ]" 1
906 1 48 ARG HA 1 51 ALA MB 5.000 . 6.000 2.755 2.269 3.209 . 0 0 "[ . 1 . 2 ]" 1
907 1 48 ARG QG 1 51 ALA MB 5.000 . 6.000 3.971 3.260 4.496 . 0 0 "[ . 1 . 2 ]" 1
908 1 54 LYS H 1 57 GLU H 5.000 . 6.000 4.559 4.401 4.728 . 0 0 "[ . 1 . 2 ]" 1
909 1 54 LYS H 1 57 GLU QG 3.000 . 3.500 2.761 2.584 3.138 . 0 0 "[ . 1 . 2 ]" 1
910 1 54 LYS QB 1 57 GLU H 4.000 . 4.750 2.484 2.282 2.704 . 0 0 "[ . 1 . 2 ]" 1
911 1 54 LYS QB 1 57 GLU QG 3.000 . 3.500 2.000 1.793 2.820 0.007 1 0 "[ . 1 . 2 ]" 1
912 1 55 LEU HA 1 58 LYS H 4.000 . 4.750 3.066 2.990 3.155 . 0 0 "[ . 1 . 2 ]" 1
913 1 55 LEU HA 1 58 LYS QB 3.000 . 3.500 1.905 1.830 2.095 . 0 0 "[ . 1 . 2 ]" 1
914 1 55 LEU HA 1 58 LYS QG 3.000 . 3.500 2.725 2.233 2.947 . 0 0 "[ . 1 . 2 ]" 1
915 1 55 LEU HA 1 58 LYS QD 4.000 . 4.750 2.742 2.009 3.572 . 0 0 "[ . 1 . 2 ]" 1
916 1 55 LEU HA 1 58 LYS QE 5.000 . 6.000 3.337 1.893 4.548 . 0 0 "[ . 1 . 2 ]" 1
917 1 55 LEU QD 1 58 LYS H 5.000 . 6.000 3.618 3.478 3.972 . 0 0 "[ . 1 . 2 ]" 1
918 1 55 LEU QD 1 58 LYS QB 4.000 . 4.750 1.997 1.824 2.187 . 0 0 "[ . 1 . 2 ]" 1
919 1 55 LEU QD 1 58 LYS QG 4.000 . 4.750 3.107 2.932 3.166 . 0 0 "[ . 1 . 2 ]" 1
920 1 55 LEU QD 1 58 LYS QD 5.000 . 6.000 1.951 1.707 2.697 0.093 2 0 "[ . 1 . 2 ]" 1
921 1 55 LEU QD 1 58 LYS QE 5.000 . 6.000 2.565 1.689 3.495 0.111 4 0 "[ . 1 . 2 ]" 1
922 1 56 SER HA 1 59 LYS H 4.000 . 4.750 3.622 3.494 3.725 . 0 0 "[ . 1 . 2 ]" 1
923 1 56 SER HA 1 59 LYS HB3 4.000 . 4.750 4.509 4.272 4.725 . 0 0 "[ . 1 . 2 ]" 1
924 1 56 SER HA 1 59 LYS HB2 4.000 . 4.750 2.979 2.810 3.231 . 0 0 "[ . 1 . 2 ]" 1
925 1 56 SER HA 1 59 LYS QD 5.000 . 6.000 3.682 1.870 4.813 . 0 0 "[ . 1 . 2 ]" 1
926 1 57 GLU HA 1 60 GLN H 3.000 . 3.500 3.203 3.077 3.368 . 0 0 "[ . 1 . 2 ]" 1
927 1 57 GLU HA 1 60 GLN QB 3.000 . 3.500 2.239 1.863 2.489 . 0 0 "[ . 1 . 2 ]" 1
928 1 58 LYS HA 1 61 ALA H 4.000 . 4.750 3.685 3.560 3.764 . 0 0 "[ . 1 . 2 ]" 1
929 1 58 LYS HA 1 61 ALA MB 4.000 . 4.750 2.826 2.640 3.129 . 0 0 "[ . 1 . 2 ]" 1
930 1 59 LYS HA 1 62 PHE H 3.000 . 3.500 3.307 3.157 3.442 . 0 0 "[ . 1 . 2 ]" 1
931 1 59 LYS HA 1 62 PHE HB2 3.000 . 3.500 3.458 3.325 3.524 0.024 20 0 "[ . 1 . 2 ]" 1
932 1 59 LYS HA 1 62 PHE QD 3.000 . 3.500 3.148 3.112 3.193 . 0 0 "[ . 1 . 2 ]" 1
933 1 59 LYS QG 1 62 PHE H 5.000 . 6.000 5.155 4.977 5.271 . 0 0 "[ . 1 . 2 ]" 1
934 1 60 GLN HA 1 63 ASN H 4.000 . 4.750 3.633 3.403 3.735 . 0 0 "[ . 1 . 2 ]" 1
935 1 60 GLN HA 1 63 ASN QB 4.000 . 4.750 2.763 2.521 3.157 . 0 0 "[ . 1 . 2 ]" 1
936 1 60 GLN HA 1 63 ASN QD 5.000 . 6.000 4.101 2.318 5.219 . 0 0 "[ . 1 . 2 ]" 1
937 1 61 ALA H 1 64 ALA MB 5.000 . 6.000 4.518 4.417 4.676 . 0 0 "[ . 1 . 2 ]" 1
938 1 61 ALA HA 1 64 ALA H 3.000 . 3.500 3.506 3.411 3.540 0.040 13 0 "[ . 1 . 2 ]" 1
939 1 61 ALA HA 1 64 ALA MB 5.000 . 6.000 2.479 2.303 2.698 . 0 0 "[ . 1 . 2 ]" 1
940 1 62 PHE HA 1 65 TYR H 5.000 . 6.000 3.325 3.218 3.432 . 0 0 "[ . 1 . 2 ]" 1
941 1 62 PHE HA 1 65 TYR HB2 4.000 . 4.750 3.141 3.016 3.253 . 0 0 "[ . 1 . 2 ]" 1
942 1 62 PHE HA 1 65 TYR QD 4.000 . 4.750 3.852 3.750 3.929 . 0 0 "[ . 1 . 2 ]" 1
943 1 62 PHE QD 1 65 TYR H 5.000 . 6.000 4.285 4.200 4.359 . 0 0 "[ . 1 . 2 ]" 1
944 1 62 PHE QD 1 65 TYR HB2 4.000 . 4.750 3.993 3.890 4.076 . 0 0 "[ . 1 . 2 ]" 1
945 1 62 PHE QD 1 65 TYR QD 3.000 . 3.500 2.712 2.627 2.793 . 0 0 "[ . 1 . 2 ]" 1
946 1 62 PHE QD 1 65 TYR QE 5.000 . 6.000 4.386 4.289 4.470 . 0 0 "[ . 1 . 2 ]" 1
947 1 62 PHE QE 1 65 TYR QD 3.000 . 3.500 2.822 2.800 2.851 . 0 0 "[ . 1 . 2 ]" 1
948 1 62 PHE QE 1 65 TYR QE 4.000 . 4.750 3.461 3.332 3.573 . 0 0 "[ . 1 . 2 ]" 1
949 1 63 ASN HA 1 66 LYS H 3.000 . 3.500 3.476 3.338 3.519 0.019 3 0 "[ . 1 . 2 ]" 1
950 1 63 ASN HA 1 66 LYS HB3 4.000 . 4.750 4.651 4.203 4.775 0.025 4 0 "[ . 1 . 2 ]" 1
951 1 63 ASN HA 1 66 LYS HB2 4.000 . 4.750 3.126 2.714 3.245 . 0 0 "[ . 1 . 2 ]" 1
952 1 63 ASN HA 1 66 LYS QD 4.000 . 4.750 3.899 2.156 4.257 . 0 0 "[ . 1 . 2 ]" 1
953 1 63 ASN HA 1 66 LYS QE 4.000 . 4.750 2.360 1.762 4.248 0.038 3 0 "[ . 1 . 2 ]" 1
954 1 64 ALA H 1 67 VAL MG2 5.000 . 6.000 4.257 4.011 4.454 . 0 0 "[ . 1 . 2 ]" 1
955 1 64 ALA HA 1 67 VAL H 4.000 . 4.750 3.311 3.214 3.413 . 0 0 "[ . 1 . 2 ]" 1
956 1 64 ALA HA 1 67 VAL HB 4.000 . 4.750 2.427 2.244 2.571 . 0 0 "[ . 1 . 2 ]" 1
957 1 64 ALA HA 1 67 VAL MG1 5.000 . 6.000 3.727 3.517 3.913 . 0 0 "[ . 1 . 2 ]" 1
958 1 64 ALA HA 1 67 VAL MG2 4.000 . 4.750 2.669 2.274 2.883 . 0 0 "[ . 1 . 2 ]" 1
959 1 64 ALA MB 1 67 VAL H 5.000 . 6.000 4.504 4.395 4.622 . 0 0 "[ . 1 . 2 ]" 1
960 1 64 ALA MB 1 67 VAL MG2 5.000 . 6.000 4.025 3.780 4.168 . 0 0 "[ . 1 . 2 ]" 1
961 1 65 TYR HA 1 68 GLN H 4.000 . 4.750 3.596 3.430 3.764 . 0 0 "[ . 1 . 2 ]" 1
962 1 66 LYS HA 1 69 THR H 4.000 . 4.750 3.516 3.168 4.078 . 0 0 "[ . 1 . 2 ]" 1
963 1 66 LYS HA 1 69 THR MG 5.000 . 6.000 2.843 1.757 3.861 0.043 11 0 "[ . 1 . 2 ]" 1
964 1 12 ASN H 1 16 GLU QB 4.000 . 4.750 3.374 3.046 3.718 . 0 0 "[ . 1 . 2 ]" 1
965 1 13 THR H 1 17 ALA H 4.000 . 4.750 4.208 3.840 4.567 . 0 0 "[ . 1 . 2 ]" 1
966 1 13 THR H 1 17 ALA MB 5.000 . 6.000 4.506 3.777 4.962 . 0 0 "[ . 1 . 2 ]" 1
967 1 14 LYS HA 1 18 LYS H 5.000 . 6.000 3.821 3.652 4.091 . 0 0 "[ . 1 . 2 ]" 1
968 1 15 GLU QG 1 19 GLN QE 5.000 . 6.000 4.776 4.682 4.813 . 0 0 "[ . 1 . 2 ]" 1
969 1 16 GLU QB 1 20 ALA H 5.000 . 6.000 4.727 4.535 4.821 . 0 0 "[ . 1 . 2 ]" 1
970 1 17 ALA HA 1 21 PHE H 4.000 . 4.750 4.318 4.227 4.416 . 0 0 "[ . 1 . 2 ]" 1
971 1 17 ALA MB 1 21 PHE H 5.000 . 6.000 4.837 4.799 4.875 . 0 0 "[ . 1 . 2 ]" 1
972 1 18 LYS HA 1 22 LYS H 4.000 . 4.750 4.088 3.927 4.303 . 0 0 "[ . 1 . 2 ]" 1
973 1 19 GLN HA 1 23 GLU H 5.000 . 6.000 3.695 3.454 3.959 . 0 0 "[ . 1 . 2 ]" 1
974 1 19 GLN QB 1 23 GLU H 5.000 . 6.000 4.997 4.747 5.186 . 0 0 "[ . 1 . 2 ]" 1
975 1 19 GLN QE 1 23 GLU QB 4.000 . 4.750 3.765 3.600 3.815 . 0 0 "[ . 1 . 2 ]" 1
976 1 20 ALA HA 1 24 LEU H 5.000 . 6.000 3.783 3.685 3.897 . 0 0 "[ . 1 . 2 ]" 1
977 1 20 ALA MB 1 24 LEU H 5.000 . 6.000 4.498 4.422 4.546 . 0 0 "[ . 1 . 2 ]" 1
978 1 20 ALA MB 1 24 LEU HB2 5.000 . 6.000 4.042 3.853 4.189 . 0 0 "[ . 1 . 2 ]" 1
979 1 21 PHE HZ 1 25 LEU MD1 5.000 . 6.000 4.095 3.645 4.932 . 0 0 "[ . 1 . 2 ]" 1
980 1 21 PHE QD 1 25 LEU MD1 5.000 . 6.000 2.673 2.304 3.140 . 0 0 "[ . 1 . 2 ]" 1
981 1 21 PHE QE 1 25 LEU MD1 4.000 . 4.750 2.581 1.957 3.538 . 0 0 "[ . 1 . 2 ]" 1
982 1 23 GLU HA 1 27 GLU H 5.000 . 6.000 4.080 3.833 4.281 . 0 0 "[ . 1 . 2 ]" 1
983 1 24 LEU HA 1 28 LYS H 5.000 . 6.000 4.307 4.159 4.406 . 0 0 "[ . 1 . 2 ]" 1
984 1 24 LEU HB3 1 28 LYS QD 4.000 . 4.750 4.221 4.140 4.264 . 0 0 "[ . 1 . 2 ]" 1
985 1 24 LEU HG 1 28 LYS QD 4.000 . 4.750 2.381 2.278 2.476 . 0 0 "[ . 1 . 2 ]" 1
986 1 24 LEU MD1 1 28 LYS H 5.000 . 6.000 3.961 3.755 4.147 . 0 0 "[ . 1 . 2 ]" 1
987 1 24 LEU MD1 1 28 LYS HB3 5.000 . 6.000 4.995 4.940 5.066 . 0 0 "[ . 1 . 2 ]" 1
988 1 24 LEU MD1 1 28 LYS HB2 5.000 . 6.000 3.990 3.936 4.080 . 0 0 "[ . 1 . 2 ]" 1
989 1 24 LEU MD1 1 28 LYS QG 4.000 . 4.750 3.257 3.133 3.397 . 0 0 "[ . 1 . 2 ]" 1
990 1 24 LEU MD1 1 28 LYS QD 5.000 . 6.000 1.761 1.716 1.792 0.084 10 0 "[ . 1 . 2 ]" 1
991 1 24 LEU MD1 1 28 LYS QE 5.000 . 6.000 1.893 1.720 2.975 0.080 13 0 "[ . 1 . 2 ]" 1
992 1 30 VAL HA 1 34 ALA MB 5.000 . 6.000 3.501 3.370 3.678 . 0 0 "[ . 1 . 2 ]" 1
993 1 30 VAL MG1 1 34 ALA H 5.000 . 6.000 3.526 3.349 3.673 . 0 0 "[ . 1 . 2 ]" 1
994 1 30 VAL MG1 1 34 ALA MB 4.000 . 4.750 1.921 1.825 2.077 . 0 0 "[ . 1 . 2 ]" 1
995 1 30 VAL MG2 1 34 ALA MB 5.000 . 6.000 3.724 3.544 4.021 . 0 0 "[ . 1 . 2 ]" 1
996 1 34 ALA HA 1 38 GLN H 5.000 . 6.000 5.497 5.408 5.567 . 0 0 "[ . 1 . 2 ]" 1
997 1 34 ALA HA 1 38 GLN HB3 5.000 . 6.000 4.303 4.087 4.553 . 0 0 "[ . 1 . 2 ]" 1
998 1 34 ALA HA 1 38 GLN HB2 5.000 . 6.000 3.685 3.519 3.830 . 0 0 "[ . 1 . 2 ]" 1
999 1 34 ALA HA 1 38 GLN QG 5.000 . 6.000 4.574 4.170 5.155 . 0 0 "[ . 1 . 2 ]" 1
1000 1 34 ALA MB 1 38 GLN H 5.000 . 6.000 4.536 4.460 4.604 . 0 0 "[ . 1 . 2 ]" 1
1001 1 34 ALA MB 1 38 GLN HA 5.000 . 6.000 5.049 5.025 5.077 . 0 0 "[ . 1 . 2 ]" 1
1002 1 34 ALA MB 1 38 GLN HB3 4.000 . 4.750 3.157 2.911 3.434 . 0 0 "[ . 1 . 2 ]" 1
1003 1 34 ALA MB 1 38 GLN HB2 5.000 . 6.000 2.940 2.748 3.110 . 0 0 "[ . 1 . 2 ]" 1
1004 1 34 ALA MB 1 38 GLN QG 5.000 . 6.000 4.344 4.134 4.469 . 0 0 "[ . 1 . 2 ]" 1
1005 1 34 ALA MB 1 38 GLN QE 5.000 . 6.000 3.929 3.286 4.462 . 0 0 "[ . 1 . 2 ]" 1
1006 1 35 SER H 1 39 ALA H 4.000 . 4.750 3.730 3.606 3.831 . 0 0 "[ . 1 . 2 ]" 1
1007 1 35 SER H 1 39 ALA MB 5.000 . 6.000 4.209 4.076 4.383 . 0 0 "[ . 1 . 2 ]" 1
1008 1 36 TRP HA 1 40 MET H 4.000 . 4.750 3.271 3.109 3.430 . 0 0 "[ . 1 . 2 ]" 1
1009 1 36 TRP HD1 1 40 MET HB2 4.000 . 4.750 4.662 4.488 4.759 0.009 18 0 "[ . 1 . 2 ]" 1
1010 1 36 TRP HD1 1 40 MET ME 5.000 . 6.000 4.324 3.187 4.967 . 0 0 "[ . 1 . 2 ]" 1
1011 1 36 TRP HE1 1 40 MET ME 5.000 . 6.000 3.283 2.088 3.943 . 0 0 "[ . 1 . 2 ]" 1
1012 1 36 TRP HE3 1 40 MET H 5.000 . 6.000 3.468 3.241 3.738 . 0 0 "[ . 1 . 2 ]" 1
1013 1 36 TRP HZ2 1 40 MET HA 5.000 . 6.000 4.460 4.245 4.633 . 0 0 "[ . 1 . 2 ]" 1
1014 1 36 TRP HZ2 1 40 MET HB3 5.000 . 6.000 4.642 4.495 4.802 . 0 0 "[ . 1 . 2 ]" 1
1015 1 36 TRP HZ2 1 40 MET HB2 4.000 . 4.750 3.390 3.283 3.543 . 0 0 "[ . 1 . 2 ]" 1
1016 1 36 TRP HZ2 1 40 MET ME 5.000 . 6.000 3.795 3.067 4.292 . 0 0 "[ . 1 . 2 ]" 1
1017 1 36 TRP HZ2 1 40 MET QG 4.000 . 4.750 2.395 2.184 2.734 . 0 0 "[ . 1 . 2 ]" 1
1018 1 36 TRP HZ3 1 40 MET HB2 5.000 . 6.000 3.381 3.239 3.611 . 0 0 "[ . 1 . 2 ]" 1
1019 1 37 GLU HA 1 41 LYS H 5.000 . 6.000 3.837 3.764 3.900 . 0 0 "[ . 1 . 2 ]" 1
1020 1 38 GLN HA 1 42 MET H 5.000 . 6.000 3.995 3.907 4.113 . 0 0 "[ . 1 . 2 ]" 1
1021 1 39 ALA HA 1 43 ILE MG 5.000 . 6.000 3.252 3.136 3.393 . 0 0 "[ . 1 . 2 ]" 1
1022 1 39 ALA MB 1 43 ILE HG12 5.000 . 6.000 4.266 4.123 4.405 . 0 0 "[ . 1 . 2 ]" 1
1023 1 39 ALA MB 1 43 ILE MG 5.000 . 6.000 3.193 3.025 3.411 . 0 0 "[ . 1 . 2 ]" 1
1024 1 40 MET HA 1 44 ILE H 4.000 . 4.750 3.954 3.885 4.056 . 0 0 "[ . 1 . 2 ]" 1
1025 1 40 MET ME 1 44 ILE MD 5.000 . 6.000 2.789 2.077 3.649 . 0 0 "[ . 1 . 2 ]" 1
1026 1 40 MET QG 1 44 ILE H 4.000 . 4.750 4.017 3.876 4.166 . 0 0 "[ . 1 . 2 ]" 1
1027 1 40 MET QG 1 44 ILE HB 3.000 . 3.500 2.961 2.765 3.129 . 0 0 "[ . 1 . 2 ]" 1
1028 1 40 MET QG 1 44 ILE MD 4.000 . 4.750 2.364 1.987 3.176 . 0 0 "[ . 1 . 2 ]" 1
1029 1 54 LYS QB 1 58 LYS H 5.000 . 6.000 3.995 3.817 4.138 . 0 0 "[ . 1 . 2 ]" 1
1030 1 55 LEU HG 1 59 LYS QG 5.000 . 6.000 4.247 2.559 5.359 . 0 0 "[ . 1 . 2 ]" 1
1031 1 55 LEU HG 1 59 LYS QE 4.000 . 4.750 3.502 2.181 4.193 . 0 0 "[ . 1 . 2 ]" 1
1032 1 55 LEU QD 1 59 LYS H 5.000 . 6.000 2.979 2.729 3.827 . 0 0 "[ . 1 . 2 ]" 1
1033 1 55 LEU QD 1 59 LYS QG 4.000 . 4.750 1.948 1.643 3.097 0.157 14 0 "[ . 1 . 2 ]" 1
1034 1 55 LEU QD 1 59 LYS QE 4.000 . 4.750 2.063 1.646 2.897 0.154 4 0 "[ . 1 . 2 ]" 1
1035 1 56 SER HA 1 60 GLN H 4.000 . 4.750 4.279 4.184 4.359 . 0 0 "[ . 1 . 2 ]" 1
1036 1 57 GLU HA 1 61 ALA H 4.000 . 4.750 3.996 3.849 4.133 . 0 0 "[ . 1 . 2 ]" 1
1037 1 58 LYS HA 1 62 PHE H 5.000 . 6.000 4.262 4.163 4.380 . 0 0 "[ . 1 . 2 ]" 1
1038 1 60 GLN HA 1 64 ALA H 4.000 . 4.750 4.039 3.883 4.197 . 0 0 "[ . 1 . 2 ]" 1
1039 1 62 PHE HA 1 66 LYS H 5.000 . 6.000 4.300 4.116 4.373 . 0 0 "[ . 1 . 2 ]" 1
1040 1 62 PHE QD 1 66 LYS H 5.000 . 6.000 3.892 3.738 3.975 . 0 0 "[ . 1 . 2 ]" 1
1041 1 62 PHE QD 1 66 LYS QG 5.000 . 6.000 2.939 2.793 3.681 . 0 0 "[ . 1 . 2 ]" 1
1042 1 62 PHE QD 1 66 LYS QD 4.000 . 4.750 3.659 3.021 3.789 . 0 0 "[ . 1 . 2 ]" 1
1043 1 62 PHE QD 1 66 LYS QE 5.000 . 6.000 3.831 3.008 4.838 . 0 0 "[ . 1 . 2 ]" 1
1044 1 62 PHE QE 1 66 LYS H 5.000 . 6.000 4.504 4.414 4.586 . 0 0 "[ . 1 . 2 ]" 1
1045 1 62 PHE QE 1 66 LYS QG 4.000 . 4.750 2.405 2.150 2.620 . 0 0 "[ . 1 . 2 ]" 1
1046 1 62 PHE QE 1 66 LYS QD 3.000 . 3.500 2.158 1.910 2.629 . 0 0 "[ . 1 . 2 ]" 1
1047 1 62 PHE QE 1 66 LYS QE 4.000 . 4.750 3.313 2.633 3.822 . 0 0 "[ . 1 . 2 ]" 1
1048 1 63 ASN HA 1 67 VAL H 4.000 . 4.750 4.356 4.208 4.459 . 0 0 "[ . 1 . 2 ]" 1
1049 1 64 ALA HA 1 68 GLN H 5.000 . 6.000 4.296 3.790 4.708 . 0 0 "[ . 1 . 2 ]" 1
1050 1 65 TYR QD 1 69 THR MG 5.000 . 6.000 3.985 3.403 4.469 . 0 0 "[ . 1 . 2 ]" 1
1051 1 65 TYR QE 1 69 THR MG 5.000 . 6.000 3.591 2.983 4.362 . 0 0 "[ . 1 . 2 ]" 1
1052 1 9 TYR QD 1 20 ALA MB 5.000 . 6.000 3.570 3.392 4.038 . 0 0 "[ . 1 . 2 ]" 1
1053 1 9 TYR QE 1 20 ALA MB 5.000 . 6.000 4.492 4.454 4.582 . 0 0 "[ . 1 . 2 ]" 1
1054 1 9 TYR QD 1 47 PRO HB3 4.000 . 4.750 4.196 3.740 4.359 . 0 0 "[ . 1 . 2 ]" 1
1055 1 9 TYR QD 1 47 PRO HB2 5.000 . 6.000 3.140 2.679 3.472 . 0 0 "[ . 1 . 2 ]" 1
1056 1 9 TYR QD 1 47 PRO HG3 5.000 . 6.000 3.691 3.334 4.165 . 0 0 "[ . 1 . 2 ]" 1
1057 1 9 TYR QD 1 47 PRO HG2 4.000 . 4.750 3.478 2.682 3.955 . 0 0 "[ . 1 . 2 ]" 1
1058 1 9 TYR QE 1 47 PRO HB3 5.000 . 6.000 5.045 3.859 5.356 . 0 0 "[ . 1 . 2 ]" 1
1059 1 9 TYR QE 1 47 PRO HB2 5.000 . 6.000 4.343 3.375 4.710 . 0 0 "[ . 1 . 2 ]" 1
1060 1 9 TYR QE 1 47 PRO HG3 5.000 . 6.000 3.463 2.538 3.874 . 0 0 "[ . 1 . 2 ]" 1
1061 1 9 TYR QE 1 47 PRO HG2 5.000 . 6.000 3.359 1.806 3.855 . 0 0 "[ . 1 . 2 ]" 1
1062 1 9 TYR QE 1 47 PRO HD2 5.000 . 6.000 4.897 3.216 5.375 . 0 0 "[ . 1 . 2 ]" 1
1063 1 9 TYR QD 1 48 ARG QG 5.000 . 6.000 3.271 2.821 3.691 . 0 0 "[ . 1 . 2 ]" 1
1064 1 9 TYR QD 1 48 ARG QD 5.000 . 6.000 2.939 2.489 3.350 . 0 0 "[ . 1 . 2 ]" 1
1065 1 9 TYR QE 1 48 ARG QG 5.000 . 6.000 3.387 1.812 4.235 . 0 0 "[ . 1 . 2 ]" 1
1066 1 9 TYR QE 1 48 ARG QD 5.000 . 6.000 2.503 1.722 3.073 0.078 12 0 "[ . 1 . 2 ]" 1
1067 1 11 TRP HA 1 16 GLU QB 4.000 . 4.750 3.499 3.127 3.855 . 0 0 "[ . 1 . 2 ]" 1
1068 1 11 TRP HD1 1 16 GLU HA 5.000 . 6.000 3.742 3.567 4.020 . 0 0 "[ . 1 . 2 ]" 1
1069 1 11 TRP HD1 1 16 GLU QB 4.000 . 4.750 1.943 1.801 2.232 . 0 0 "[ . 1 . 2 ]" 1
1070 1 11 TRP HD1 1 16 GLU QG 5.000 . 6.000 4.065 3.830 4.338 . 0 0 "[ . 1 . 2 ]" 1
1071 1 11 TRP QB 1 16 GLU QB 4.000 . 4.750 3.489 3.290 3.776 . 0 0 "[ . 1 . 2 ]" 1
1072 1 11 TRP HA 1 17 ALA MB 5.000 . 6.000 4.556 4.396 4.758 . 0 0 "[ . 1 . 2 ]" 1
1073 1 11 TRP HD1 1 17 ALA H 5.000 . 6.000 2.704 2.437 3.003 . 0 0 "[ . 1 . 2 ]" 1
1074 1 11 TRP HD1 1 17 ALA HA 4.000 . 4.750 2.567 2.436 2.678 . 0 0 "[ . 1 . 2 ]" 1
1075 1 11 TRP HD1 1 17 ALA MB 5.000 . 6.000 3.256 3.099 3.428 . 0 0 "[ . 1 . 2 ]" 1
1076 1 11 TRP HE1 1 17 ALA MB 5.000 . 6.000 4.520 4.386 4.737 . 0 0 "[ . 1 . 2 ]" 1
1077 1 11 TRP HE3 1 17 ALA MB 5.000 . 6.000 4.590 4.229 4.873 . 0 0 "[ . 1 . 2 ]" 1
1078 1 11 TRP QB 1 17 ALA H 4.000 . 4.750 3.341 3.095 3.633 . 0 0 "[ . 1 . 2 ]" 1
1079 1 11 TRP QB 1 17 ALA HA 3.000 . 3.500 3.155 3.080 3.202 . 0 0 "[ . 1 . 2 ]" 1
1080 1 11 TRP QB 1 17 ALA MB 5.000 . 6.000 2.298 2.092 2.580 . 0 0 "[ . 1 . 2 ]" 1
1081 1 11 TRP HD1 1 20 ALA MB 5.000 . 6.000 3.647 3.463 3.846 . 0 0 "[ . 1 . 2 ]" 1
1082 1 11 TRP HE1 1 20 ALA MB 5.000 . 6.000 1.809 1.714 1.994 0.086 15 0 "[ . 1 . 2 ]" 1
1083 1 11 TRP HE3 1 20 ALA MB 5.000 . 6.000 5.010 4.956 5.068 . 0 0 "[ . 1 . 2 ]" 1
1084 1 11 TRP HZ2 1 20 ALA HA 5.000 . 6.000 3.943 3.792 4.092 . 0 0 "[ . 1 . 2 ]" 1
1085 1 11 TRP HZ2 1 20 ALA MB 5.000 . 6.000 1.758 1.702 1.909 0.098 1 0 "[ . 1 . 2 ]" 1
1086 1 11 TRP HZ3 1 20 ALA MB 5.000 . 6.000 4.852 4.769 4.929 . 0 0 "[ . 1 . 2 ]" 1
1087 1 11 TRP HZ3 1 47 PRO HB3 5.000 . 6.000 5.512 4.674 6.014 0.014 11 0 "[ . 1 . 2 ]" 1
1088 1 11 TRP HH2 1 47 PRO HB3 5.000 . 6.000 5.245 4.202 6.028 0.028 8 0 "[ . 1 . 2 ]" 1
1089 1 11 TRP HZ2 1 48 ARG H 5.000 . 6.000 5.265 4.595 5.958 . 0 0 "[ . 1 . 2 ]" 1
1090 1 11 TRP HZ2 1 48 ARG HA 4.000 . 4.750 2.816 2.432 3.389 . 0 0 "[ . 1 . 2 ]" 1
1091 1 11 TRP HZ2 1 48 ARG HB3 5.000 . 6.000 4.092 3.644 4.606 . 0 0 "[ . 1 . 2 ]" 1
1092 1 11 TRP HZ2 1 48 ARG HB2 5.000 . 6.000 5.049 4.728 5.487 . 0 0 "[ . 1 . 2 ]" 1
1093 1 11 TRP HZ2 1 48 ARG QG 4.000 . 4.750 2.900 1.927 3.612 . 0 0 "[ . 1 . 2 ]" 1
1094 1 11 TRP HZ2 1 48 ARG QD 5.000 . 6.000 2.613 1.869 3.571 . 0 0 "[ . 1 . 2 ]" 1
1095 1 11 TRP HZ3 1 48 ARG HA 4.000 . 4.750 3.776 3.527 3.961 . 0 0 "[ . 1 . 2 ]" 1
1096 1 11 TRP HZ3 1 48 ARG QD 5.000 . 6.000 5.394 5.373 5.427 . 0 0 "[ . 1 . 2 ]" 1
1097 1 11 TRP HH2 1 48 ARG H 5.000 . 6.000 3.855 3.420 4.247 . 0 0 "[ . 1 . 2 ]" 1
1098 1 11 TRP HH2 1 48 ARG HA 3.000 . 3.500 1.860 1.781 2.210 0.019 23 0 "[ . 1 . 2 ]" 1
1099 1 11 TRP HH2 1 48 ARG HB3 5.000 . 6.000 4.336 4.109 4.855 . 0 0 "[ . 1 . 2 ]" 1
1100 1 11 TRP HH2 1 48 ARG HB2 5.000 . 6.000 4.619 4.434 4.764 . 0 0 "[ . 1 . 2 ]" 1
1101 1 11 TRP HH2 1 48 ARG QG 4.000 . 4.750 2.975 2.566 3.435 . 0 0 "[ . 1 . 2 ]" 1
1102 1 11 TRP HH2 1 48 ARG QD 4.000 . 4.750 3.287 3.193 3.386 . 0 0 "[ . 1 . 2 ]" 1
1103 1 11 TRP HH2 1 50 SER QB 5.000 . 6.000 4.307 3.708 5.294 . 0 0 "[ . 1 . 2 ]" 1
1104 1 11 TRP HD1 1 51 ALA MB 5.000 . 6.000 4.010 3.687 4.318 . 0 0 "[ . 1 . 2 ]" 1
1105 1 11 TRP HE1 1 51 ALA HA 4.000 . 4.750 4.789 4.750 4.840 0.090 20 0 "[ . 1 . 2 ]" 1
1106 1 11 TRP HE1 1 51 ALA MB 5.000 . 6.000 3.297 3.055 3.548 . 0 0 "[ . 1 . 2 ]" 1
1107 1 11 TRP HE3 1 51 ALA HA 4.000 . 4.750 2.651 2.462 2.937 . 0 0 "[ . 1 . 2 ]" 1
1108 1 11 TRP HE3 1 51 ALA MB 5.000 . 6.000 3.880 3.766 4.094 . 0 0 "[ . 1 . 2 ]" 1
1109 1 11 TRP HZ2 1 51 ALA HA 4.000 . 4.750 4.658 4.435 4.789 0.039 12 0 "[ . 1 . 2 ]" 1
1110 1 11 TRP HZ2 1 51 ALA MB 5.000 . 6.000 2.900 2.686 3.111 . 0 0 "[ . 1 . 2 ]" 1
1111 1 11 TRP HZ3 1 51 ALA HA 4.000 . 4.750 3.617 3.301 3.847 . 0 0 "[ . 1 . 2 ]" 1
1112 1 11 TRP HZ3 1 51 ALA MB 5.000 . 6.000 3.795 3.658 3.962 . 0 0 "[ . 1 . 2 ]" 1
1113 1 11 TRP HH2 1 51 ALA MB 5.000 . 6.000 3.269 3.058 3.453 . 0 0 "[ . 1 . 2 ]" 1
1114 1 14 LYS HA 1 52 LEU MD2 5.000 . 6.000 4.234 3.914 4.499 . 0 0 "[ . 1 . 2 ]" 1
1115 1 14 LYS QG 1 52 LEU MD2 5.000 . 6.000 3.987 3.133 4.467 . 0 0 "[ . 1 . 2 ]" 1
1116 1 14 LYS QD 1 52 LEU MD2 5.000 . 6.000 3.950 2.766 4.457 . 0 0 "[ . 1 . 2 ]" 1
1117 1 14 LYS QE 1 52 LEU MD2 5.000 . 6.000 3.504 2.001 4.460 . 0 0 "[ . 1 . 2 ]" 1
1118 1 17 ALA H 1 51 ALA MB 5.000 . 6.000 4.573 4.412 4.833 . 0 0 "[ . 1 . 2 ]" 1
1119 1 17 ALA HA 1 51 ALA MB 4.000 . 4.750 2.000 1.833 2.355 . 0 0 "[ . 1 . 2 ]" 1
1120 1 17 ALA MB 1 51 ALA MB 5.000 . 6.000 2.924 2.761 3.176 . 0 0 "[ . 1 . 2 ]" 1
1121 1 17 ALA H 1 52 LEU MD2 5.000 . 6.000 4.627 4.498 4.839 . 0 0 "[ . 1 . 2 ]" 1
1122 1 17 ALA HA 1 52 LEU MD2 5.000 . 6.000 3.886 3.652 4.103 . 0 0 "[ . 1 . 2 ]" 1
1123 1 17 ALA MB 1 52 LEU HA 5.000 . 6.000 3.201 2.902 3.356 . 0 0 "[ . 1 . 2 ]" 1
1124 1 17 ALA MB 1 52 LEU HG 5.000 . 6.000 3.491 3.153 3.734 . 0 0 "[ . 1 . 2 ]" 1
1125 1 17 ALA MB 1 52 LEU MD1 5.000 . 6.000 4.123 4.025 4.198 . 0 0 "[ . 1 . 2 ]" 1
1126 1 17 ALA MB 1 52 LEU MD2 5.000 . 6.000 1.832 1.758 2.008 0.042 12 0 "[ . 1 . 2 ]" 1
1127 1 18 LYS H 1 52 LEU MD1 5.000 . 6.000 4.719 4.550 4.997 . 0 0 "[ . 1 . 2 ]" 1
1128 1 18 LYS H 1 52 LEU MD2 5.000 . 6.000 3.263 3.027 3.530 . 0 0 "[ . 1 . 2 ]" 1
1129 1 18 LYS HA 1 52 LEU HG 4.000 . 4.750 3.406 3.033 3.903 . 0 0 "[ . 1 . 2 ]" 1
1130 1 18 LYS HA 1 52 LEU MD1 4.000 . 4.750 2.670 2.346 3.098 . 0 0 "[ . 1 . 2 ]" 1
1131 1 18 LYS HA 1 52 LEU MD2 4.000 . 4.750 2.615 2.274 2.884 . 0 0 "[ . 1 . 2 ]" 1
1132 1 18 LYS HB3 1 52 LEU MD2 5.000 . 6.000 4.526 4.289 4.784 . 0 0 "[ . 1 . 2 ]" 1
1133 1 18 LYS HB2 1 52 LEU MD2 5.000 . 6.000 3.330 3.113 3.600 . 0 0 "[ . 1 . 2 ]" 1
1134 1 18 LYS QG 1 52 LEU MD1 5.000 . 6.000 2.768 2.473 3.222 . 0 0 "[ . 1 . 2 ]" 1
1135 1 18 LYS QG 1 52 LEU MD2 4.000 . 4.750 3.157 2.712 3.480 . 0 0 "[ . 1 . 2 ]" 1
1136 1 18 LYS QD 1 52 LEU MD1 5.000 . 6.000 3.920 2.515 4.466 . 0 0 "[ . 1 . 2 ]" 1
1137 1 18 LYS QD 1 52 LEU MD2 5.000 . 6.000 3.788 2.390 4.389 . 0 0 "[ . 1 . 2 ]" 1
1138 1 18 LYS HA 1 61 ALA MB 5.000 . 6.000 3.340 2.995 3.597 . 0 0 "[ . 1 . 2 ]" 1
1139 1 18 LYS QG 1 61 ALA H 5.000 . 6.000 4.527 3.974 5.027 . 0 0 "[ . 1 . 2 ]" 1
1140 1 20 ALA HA 1 48 ARG QD 5.000 . 6.000 3.449 2.637 4.773 . 0 0 "[ . 1 . 2 ]" 1
1141 1 20 ALA MB 1 48 ARG HA 5.000 . 6.000 2.960 2.513 3.614 . 0 0 "[ . 1 . 2 ]" 1
1142 1 20 ALA MB 1 48 ARG HB3 4.000 . 4.750 2.932 2.352 3.414 . 0 0 "[ . 1 . 2 ]" 1
1143 1 20 ALA MB 1 48 ARG HB2 5.000 . 6.000 4.270 3.892 4.754 . 0 0 "[ . 1 . 2 ]" 1
1144 1 20 ALA MB 1 48 ARG HE 5.000 . 6.000 4.125 2.994 5.004 . 0 0 "[ . 1 . 2 ]" 1
1145 1 20 ALA MB 1 48 ARG QG 4.000 . 4.750 2.936 1.767 3.591 0.033 12 0 "[ . 1 . 2 ]" 1
1146 1 20 ALA MB 1 48 ARG QD 5.000 . 6.000 2.465 1.757 3.787 0.043 7 0 "[ . 1 . 2 ]" 1
1147 1 20 ALA H 1 51 ALA MB 5.000 . 6.000 3.534 3.402 3.686 . 0 0 "[ . 1 . 2 ]" 1
1148 1 20 ALA MB 1 51 ALA MB 5.000 . 6.000 1.965 1.859 2.033 . 0 0 "[ . 1 . 2 ]" 1
1149 1 21 PHE HZ 1 36 TRP HE3 5.000 . 6.000 5.092 4.446 6.012 0.012 20 0 "[ . 1 . 2 ]" 1
1150 1 21 PHE HZ 1 36 TRP HZ2 4.000 . 4.750 4.058 3.597 4.469 . 0 0 "[ . 1 . 2 ]" 1
1151 1 21 PHE HZ 1 36 TRP HZ3 4.000 . 4.750 2.798 2.068 3.853 . 0 0 "[ . 1 . 2 ]" 1
1152 1 21 PHE HZ 1 36 TRP HH2 3.000 . 3.500 1.862 1.812 2.025 . 0 0 "[ . 1 . 2 ]" 1
1153 1 21 PHE QD 1 36 TRP HZ3 5.000 . 6.000 5.074 4.628 5.267 . 0 0 "[ . 1 . 2 ]" 1
1154 1 21 PHE QE 1 36 TRP HE3 5.000 . 6.000 4.952 4.842 5.142 . 0 0 "[ . 1 . 2 ]" 1
1155 1 21 PHE QE 1 36 TRP HZ2 5.000 . 6.000 4.733 4.515 5.013 . 0 0 "[ . 1 . 2 ]" 1
1156 1 21 PHE QE 1 36 TRP HZ3 4.000 . 4.750 2.980 2.682 3.144 . 0 0 "[ . 1 . 2 ]" 1
1157 1 21 PHE QE 1 36 TRP HH2 3.000 . 3.500 2.888 2.537 3.131 . 0 0 "[ . 1 . 2 ]" 1
1158 1 21 PHE HZ 1 43 ILE MD 4.000 . 4.750 2.283 2.072 2.618 . 0 0 "[ . 1 . 2 ]" 1
1159 1 21 PHE QE 1 43 ILE MD 4.000 . 4.750 2.552 2.367 2.833 . 0 0 "[ . 1 . 2 ]" 1
1160 1 21 PHE HZ 1 49 TYR QE 4.000 . 4.750 2.597 1.981 3.103 . 0 0 "[ . 1 . 2 ]" 1
1161 1 21 PHE QD 1 49 TYR HA 4.000 . 4.750 2.746 2.476 3.046 . 0 0 "[ . 1 . 2 ]" 1
1162 1 21 PHE QE 1 49 TYR HA 3.000 . 3.500 2.772 1.866 3.172 . 0 0 "[ . 1 . 2 ]" 1
1163 1 21 PHE QE 1 49 TYR QE 4.000 . 4.750 3.042 2.613 3.452 . 0 0 "[ . 1 . 2 ]" 1
1164 1 21 PHE H 1 51 ALA MB 5.000 . 6.000 2.969 2.833 3.068 . 0 0 "[ . 1 . 2 ]" 1
1165 1 21 PHE HA 1 51 ALA MB 5.000 . 6.000 3.491 3.313 3.786 . 0 0 "[ . 1 . 2 ]" 1
1166 1 21 PHE HB3 1 51 ALA MB 5.000 . 6.000 4.217 3.974 4.391 . 0 0 "[ . 1 . 2 ]" 1
1167 1 21 PHE HB2 1 51 ALA MB 5.000 . 6.000 2.750 2.561 2.903 . 0 0 "[ . 1 . 2 ]" 1
1168 1 21 PHE QD 1 51 ALA H 4.000 . 4.750 3.915 3.332 4.254 . 0 0 "[ . 1 . 2 ]" 1
1169 1 21 PHE QD 1 51 ALA MB 5.000 . 6.000 2.834 2.231 3.265 . 0 0 "[ . 1 . 2 ]" 1
1170 1 21 PHE H 1 52 LEU MD1 5.000 . 6.000 4.315 3.958 4.482 . 0 0 "[ . 1 . 2 ]" 1
1171 1 21 PHE H 1 52 LEU MD2 5.000 . 6.000 4.653 4.388 4.964 . 0 0 "[ . 1 . 2 ]" 1
1172 1 21 PHE HB3 1 52 LEU HG 4.000 . 4.750 3.655 3.377 3.876 . 0 0 "[ . 1 . 2 ]" 1
1173 1 21 PHE HB3 1 52 LEU MD1 4.000 . 4.750 2.727 2.325 2.944 . 0 0 "[ . 1 . 2 ]" 1
1174 1 21 PHE HB3 1 52 LEU MD2 5.000 . 6.000 4.288 4.021 4.611 . 0 0 "[ . 1 . 2 ]" 1
1175 1 21 PHE HB2 1 52 LEU HG 4.000 . 4.750 2.346 2.095 2.557 . 0 0 "[ . 1 . 2 ]" 1
1176 1 21 PHE HB2 1 52 LEU MD1 5.000 . 6.000 2.577 2.208 2.730 . 0 0 "[ . 1 . 2 ]" 1
1177 1 21 PHE HZ 1 52 LEU MD1 5.000 . 6.000 4.126 3.608 4.360 . 0 0 "[ . 1 . 2 ]" 1
1178 1 21 PHE QD 1 52 LEU H 5.000 . 6.000 3.356 3.074 3.612 . 0 0 "[ . 1 . 2 ]" 1
1179 1 21 PHE QD 1 52 LEU HA 5.000 . 6.000 5.094 4.981 5.253 . 0 0 "[ . 1 . 2 ]" 1
1180 1 21 PHE QD 1 52 LEU HG 5.000 . 6.000 2.796 2.390 3.184 . 0 0 "[ . 1 . 2 ]" 1
1181 1 21 PHE QD 1 52 LEU MD1 5.000 . 6.000 2.601 2.407 2.748 . 0 0 "[ . 1 . 2 ]" 1
1182 1 21 PHE QD 1 52 LEU MD2 5.000 . 6.000 4.231 4.000 4.460 . 0 0 "[ . 1 . 2 ]" 1
1183 1 21 PHE QD 1 52 LEU QB 4.000 . 4.750 2.819 2.474 3.146 . 0 0 "[ . 1 . 2 ]" 1
1184 1 21 PHE QE 1 52 LEU H 5.000 . 6.000 4.343 3.544 4.940 . 0 0 "[ . 1 . 2 ]" 1
1185 1 21 PHE QE 1 52 LEU MD1 5.000 . 6.000 3.334 3.016 3.545 . 0 0 "[ . 1 . 2 ]" 1
1186 1 21 PHE QE 1 52 LEU QB 4.000 . 4.750 3.171 2.830 3.526 . 0 0 "[ . 1 . 2 ]" 1
1187 1 21 PHE QE 1 55 LEU QD 5.000 . 6.000 3.996 3.962 4.027 . 0 0 "[ . 1 . 2 ]" 1
1188 1 21 PHE HZ 1 58 LYS H 5.000 . 6.000 5.332 5.098 5.605 . 0 0 "[ . 1 . 2 ]" 1
1189 1 21 PHE HZ 1 58 LYS HA 4.000 . 4.750 3.391 3.045 3.560 . 0 0 "[ . 1 . 2 ]" 1
1190 1 21 PHE HZ 1 58 LYS QB 3.000 . 3.500 2.209 1.872 2.463 . 0 0 "[ . 1 . 2 ]" 1
1191 1 21 PHE HZ 1 58 LYS QG 4.000 . 4.750 3.307 2.556 4.124 . 0 0 "[ . 1 . 2 ]" 1
1192 1 21 PHE HZ 1 58 LYS QD 4.000 . 4.750 2.901 1.835 3.817 . 0 0 "[ . 1 . 2 ]" 1
1193 1 21 PHE QD 1 58 LYS QB 5.000 . 6.000 4.297 4.160 4.428 . 0 0 "[ . 1 . 2 ]" 1
1194 1 21 PHE QE 1 58 LYS H 5.000 . 6.000 4.966 4.770 5.218 . 0 0 "[ . 1 . 2 ]" 1
1195 1 21 PHE QE 1 58 LYS HA 4.000 . 4.750 2.976 2.502 3.334 . 0 0 "[ . 1 . 2 ]" 1
1196 1 21 PHE QE 1 58 LYS QB 4.000 . 4.750 2.617 2.406 2.822 . 0 0 "[ . 1 . 2 ]" 1
1197 1 21 PHE QE 1 58 LYS QG 4.000 . 4.750 2.380 1.899 3.031 . 0 0 "[ . 1 . 2 ]" 1
1198 1 21 PHE QE 1 58 LYS QD 4.000 . 4.750 2.160 1.757 2.885 0.043 4 0 "[ . 1 . 2 ]" 1
1199 1 21 PHE QE 1 59 LYS HA 4.000 . 4.750 4.141 3.967 4.243 . 0 0 "[ . 1 . 2 ]" 1
1200 1 21 PHE H 1 61 ALA MB 5.000 . 6.000 4.641 4.285 4.860 . 0 0 "[ . 1 . 2 ]" 1
1201 1 21 PHE HZ 1 61 ALA MB 5.000 . 6.000 4.484 3.970 5.017 . 0 0 "[ . 1 . 2 ]" 1
1202 1 21 PHE QD 1 61 ALA H 5.000 . 6.000 4.377 3.894 4.664 . 0 0 "[ . 1 . 2 ]" 1
1203 1 21 PHE QD 1 61 ALA HA 5.000 . 6.000 4.359 4.175 4.568 . 0 0 "[ . 1 . 2 ]" 1
1204 1 21 PHE QD 1 61 ALA MB 3.000 . 3.500 1.854 1.738 2.000 0.062 3 0 "[ . 1 . 2 ]" 1
1205 1 21 PHE QE 1 61 ALA H 5.000 . 6.000 4.400 4.160 4.599 . 0 0 "[ . 1 . 2 ]" 1
1206 1 21 PHE QE 1 61 ALA MB 4.000 . 4.750 2.943 2.589 3.350 . 0 0 "[ . 1 . 2 ]" 1
1207 1 21 PHE QD 1 62 PHE H 5.000 . 6.000 3.570 3.119 3.859 . 0 0 "[ . 1 . 2 ]" 1
1208 1 21 PHE QD 1 62 PHE HA 5.000 . 6.000 3.977 3.686 4.381 . 0 0 "[ . 1 . 2 ]" 1
1209 1 21 PHE QE 1 62 PHE H 4.000 . 4.750 2.830 2.381 3.483 . 0 0 "[ . 1 . 2 ]" 1
1210 1 21 PHE QE 1 62 PHE HA 5.000 . 6.000 3.520 2.856 4.671 . 0 0 "[ . 1 . 2 ]" 1
1211 1 21 PHE QE 1 62 PHE HB3 4.000 . 4.750 3.483 3.117 4.094 . 0 0 "[ . 1 . 2 ]" 1
1212 1 21 PHE QE 1 62 PHE HB2 4.000 . 4.750 2.350 1.926 3.175 . 0 0 "[ . 1 . 2 ]" 1
1213 1 22 LYS H 1 52 LEU MD1 5.000 . 6.000 4.768 4.448 5.010 . 0 0 "[ . 1 . 2 ]" 1
1214 1 22 LYS H 1 61 ALA HA 5.000 . 6.000 5.734 5.253 6.032 0.032 18 0 "[ . 1 . 2 ]" 1
1215 1 22 LYS HA 1 65 TYR QD 5.000 . 6.000 3.280 3.114 3.424 . 0 0 "[ . 1 . 2 ]" 1
1216 1 22 LYS QB 1 65 TYR QD 4.000 . 4.750 3.778 3.663 3.805 . 0 0 "[ . 1 . 2 ]" 1
1217 1 22 LYS QG 1 65 TYR H 5.000 . 6.000 4.235 3.187 5.424 . 0 0 "[ . 1 . 2 ]" 1
1218 1 22 LYS QG 1 65 TYR QD 4.000 . 4.750 3.526 2.920 3.793 . 0 0 "[ . 1 . 2 ]" 1
1219 1 22 LYS QD 1 65 TYR H 5.000 . 6.000 4.629 2.950 5.359 . 0 0 "[ . 1 . 2 ]" 1
1220 1 23 GLU QB 1 48 ARG HE 5.000 . 6.000 3.847 2.870 5.337 . 0 0 "[ . 1 . 2 ]" 1
1221 1 24 LEU HB3 1 43 ILE HA 5.000 . 6.000 4.926 4.689 5.107 . 0 0 "[ . 1 . 2 ]" 1
1222 1 24 LEU HB3 1 43 ILE HB 3.000 . 3.500 3.417 3.204 3.586 0.086 12 0 "[ . 1 . 2 ]" 1
1223 1 24 LEU HB2 1 43 ILE MG 5.000 . 6.000 4.814 4.565 4.999 . 0 0 "[ . 1 . 2 ]" 1
1224 1 24 LEU HB2 1 43 ILE MD 5.000 . 6.000 5.024 5.007 5.049 . 0 0 "[ . 1 . 2 ]" 1
1225 1 24 LEU HG 1 43 ILE HA 5.000 . 6.000 2.556 2.328 2.738 . 0 0 "[ . 1 . 2 ]" 1
1226 1 24 LEU HG 1 43 ILE HB 3.000 . 3.500 1.838 1.805 1.875 . 0 0 "[ . 1 . 2 ]" 1
1227 1 24 LEU HG 1 43 ILE MG 4.000 . 4.750 2.333 2.155 2.434 . 0 0 "[ . 1 . 2 ]" 1
1228 1 24 LEU MD1 1 43 ILE HB 5.000 . 6.000 3.214 3.048 3.390 . 0 0 "[ . 1 . 2 ]" 1
1229 1 24 LEU MD2 1 43 ILE HA 5.000 . 6.000 2.818 2.690 2.956 . 0 0 "[ . 1 . 2 ]" 1
1230 1 24 LEU MD2 1 43 ILE HB 3.000 . 3.500 1.774 1.724 1.806 0.076 18 0 "[ . 1 . 2 ]" 1
1231 1 24 LEU MD2 1 43 ILE MG 4.000 . 4.750 3.261 3.212 3.325 . 0 0 "[ . 1 . 2 ]" 1
1232 1 24 LEU MD2 1 44 ILE HA 5.000 . 6.000 3.727 3.563 3.856 . 0 0 "[ . 1 . 2 ]" 1
1233 1 24 LEU MD1 1 46 ASP H 5.000 . 6.000 3.475 3.333 3.656 . 0 0 "[ . 1 . 2 ]" 1
1234 1 24 LEU MD1 1 46 ASP HA 5.000 . 6.000 4.070 3.878 4.379 . 0 0 "[ . 1 . 2 ]" 1
1235 1 24 LEU MD1 1 46 ASP HB3 4.000 . 4.750 1.754 1.667 1.871 0.133 6 0 "[ . 1 . 2 ]" 1
1236 1 24 LEU MD1 1 46 ASP HB2 4.000 . 4.750 2.266 2.038 2.613 . 0 0 "[ . 1 . 2 ]" 1
1237 1 24 LEU MD2 1 46 ASP H 5.000 . 6.000 3.590 3.361 3.771 . 0 0 "[ . 1 . 2 ]" 1
1238 1 24 LEU MD2 1 46 ASP HB3 4.000 . 4.750 2.262 1.899 2.651 . 0 0 "[ . 1 . 2 ]" 1
1239 1 24 LEU MD2 1 46 ASP HB2 5.000 . 6.000 3.698 3.398 4.041 . 0 0 "[ . 1 . 2 ]" 1
1240 1 24 LEU H 1 48 ARG HB3 4.000 . 4.750 3.997 3.800 4.233 . 0 0 "[ . 1 . 2 ]" 1
1241 1 24 LEU H 1 48 ARG HB2 5.000 . 6.000 4.902 4.599 5.332 . 0 0 "[ . 1 . 2 ]" 1
1242 1 24 LEU H 1 48 ARG QD 5.000 . 6.000 4.798 3.949 5.406 . 0 0 "[ . 1 . 2 ]" 1
1243 1 24 LEU HA 1 48 ARG HE 5.000 . 6.000 2.493 2.015 2.946 . 0 0 "[ . 1 . 2 ]" 1
1244 1 24 LEU HB3 1 48 ARG HE 5.000 . 6.000 3.995 3.473 4.505 . 0 0 "[ . 1 . 2 ]" 1
1245 1 24 LEU HB3 1 48 ARG QD 5.000 . 6.000 5.173 4.560 5.454 . 0 0 "[ . 1 . 2 ]" 1
1246 1 24 LEU HB2 1 48 ARG HE 5.000 . 6.000 2.431 1.920 2.880 . 0 0 "[ . 1 . 2 ]" 1
1247 1 24 LEU MD1 1 48 ARG H 5.000 . 6.000 3.231 3.000 3.484 . 0 0 "[ . 1 . 2 ]" 1
1248 1 24 LEU MD1 1 48 ARG HB3 4.000 . 4.750 3.040 2.646 3.238 . 0 0 "[ . 1 . 2 ]" 1
1249 1 24 LEU MD1 1 48 ARG HB2 5.000 . 6.000 1.876 1.815 2.019 . 0 0 "[ . 1 . 2 ]" 1
1250 1 24 LEU MD1 1 48 ARG HE 5.000 . 6.000 2.528 1.785 3.317 0.015 17 0 "[ . 1 . 2 ]" 1
1251 1 24 LEU MD2 1 48 ARG H 5.000 . 6.000 3.168 3.009 3.376 . 0 0 "[ . 1 . 2 ]" 1
1252 1 24 LEU MD2 1 48 ARG HB3 4.000 . 4.750 2.154 1.838 2.720 . 0 0 "[ . 1 . 2 ]" 1
1253 1 24 LEU MD2 1 48 ARG HB2 4.000 . 4.750 1.878 1.744 2.029 0.056 18 0 "[ . 1 . 2 ]" 1
1254 1 24 LEU MD2 1 48 ARG HE 5.000 . 6.000 3.653 3.334 4.093 . 0 0 "[ . 1 . 2 ]" 1
1255 1 24 LEU MD2 1 48 ARG QG 4.000 . 4.750 3.503 3.379 3.563 . 0 0 "[ . 1 . 2 ]" 1
1256 1 24 LEU MD2 1 48 ARG QD 5.000 . 6.000 3.970 3.726 4.369 . 0 0 "[ . 1 . 2 ]" 1
1257 1 24 LEU MD1 1 49 TYR H 5.000 . 6.000 3.849 3.686 3.983 . 0 0 "[ . 1 . 2 ]" 1
1258 1 24 LEU MD1 1 49 TYR HA 5.000 . 6.000 5.023 4.913 5.072 . 0 0 "[ . 1 . 2 ]" 1
1259 1 24 LEU MD2 1 49 TYR H 4.000 . 4.750 2.344 2.227 2.477 . 0 0 "[ . 1 . 2 ]" 1
1260 1 24 LEU MD2 1 49 TYR HA 4.000 . 4.750 2.608 2.470 2.722 . 0 0 "[ . 1 . 2 ]" 1
1261 1 24 LEU MD2 1 49 TYR HB3 4.000 . 4.750 3.890 3.727 3.989 . 0 0 "[ . 1 . 2 ]" 1
1262 1 24 LEU MD2 1 49 TYR HB2 5.000 . 6.000 2.605 2.440 2.690 . 0 0 "[ . 1 . 2 ]" 1
1263 1 24 LEU MD2 1 49 TYR QD 4.000 . 4.750 2.599 2.510 2.660 . 0 0 "[ . 1 . 2 ]" 1
1264 1 24 LEU MD2 1 49 TYR QE 5.000 . 6.000 4.483 4.403 4.514 . 0 0 "[ . 1 . 2 ]" 1
1265 1 25 LEU HA 1 30 VAL MG1 5.000 . 6.000 4.270 4.151 4.454 . 0 0 "[ . 1 . 2 ]" 1
1266 1 25 LEU HA 1 30 VAL MG2 4.000 . 4.750 2.123 1.863 2.414 . 0 0 "[ . 1 . 2 ]" 1
1267 1 25 LEU HB3 1 30 VAL HB 4.000 . 4.750 2.774 2.647 2.945 . 0 0 "[ . 1 . 2 ]" 1
1268 1 25 LEU HB3 1 30 VAL MG2 5.000 . 6.000 3.066 2.671 3.277 . 0 0 "[ . 1 . 2 ]" 1
1269 1 25 LEU HB2 1 30 VAL MG2 5.000 . 6.000 4.101 3.766 4.327 . 0 0 "[ . 1 . 2 ]" 1
1270 1 25 LEU HG 1 30 VAL MG2 5.000 . 6.000 2.779 2.552 3.010 . 0 0 "[ . 1 . 2 ]" 1
1271 1 25 LEU MD1 1 30 VAL MG1 5.000 . 6.000 4.124 4.051 4.173 . 0 0 "[ . 1 . 2 ]" 1
1272 1 25 LEU MD2 1 30 VAL H 5.000 . 6.000 3.977 3.877 4.186 . 0 0 "[ . 1 . 2 ]" 1
1273 1 25 LEU MD2 1 30 VAL MG1 5.000 . 6.000 1.817 1.767 1.927 0.033 1 0 "[ . 1 . 2 ]" 1
1274 1 25 LEU MD2 1 30 VAL MG2 4.000 . 4.750 1.836 1.784 1.936 0.016 9 0 "[ . 1 . 2 ]" 1
1275 1 25 LEU HG 1 36 TRP HZ3 5.000 . 6.000 5.112 4.901 5.407 . 0 0 "[ . 1 . 2 ]" 1
1276 1 25 LEU MD1 1 36 TRP HE3 5.000 . 6.000 4.994 4.951 5.028 . 0 0 "[ . 1 . 2 ]" 1
1277 1 25 LEU MD1 1 36 TRP HZ3 5.000 . 6.000 3.538 3.362 3.658 . 0 0 "[ . 1 . 2 ]" 1
1278 1 25 LEU MD2 1 39 ALA HA 5.000 . 6.000 3.416 3.256 3.585 . 0 0 "[ . 1 . 2 ]" 1
1279 1 25 LEU MD2 1 39 ALA MB 4.000 . 4.750 2.049 1.808 2.248 . 0 0 "[ . 1 . 2 ]" 1
1280 1 25 LEU MD1 1 40 MET HA 5.000 . 6.000 4.992 4.877 5.033 . 0 0 "[ . 1 . 2 ]" 1
1281 1 25 LEU H 1 43 ILE HB 4.000 . 4.750 4.405 4.273 4.595 . 0 0 "[ . 1 . 2 ]" 1
1282 1 25 LEU H 1 43 ILE MG 5.000 . 6.000 3.426 3.231 3.610 . 0 0 "[ . 1 . 2 ]" 1
1283 1 25 LEU HA 1 43 ILE MG 4.000 . 4.750 2.107 1.956 2.253 . 0 0 "[ . 1 . 2 ]" 1
1284 1 25 LEU HG 1 43 ILE MG 5.000 . 6.000 1.810 1.726 1.994 0.074 3 0 "[ . 1 . 2 ]" 1
1285 1 25 LEU MD1 1 43 ILE MG 5.000 . 6.000 2.897 2.735 3.028 . 0 0 "[ . 1 . 2 ]" 1
1286 1 25 LEU HG 1 62 PHE QD 5.000 . 6.000 4.161 4.083 4.212 . 0 0 "[ . 1 . 2 ]" 1
1287 1 25 LEU MD1 1 62 PHE H 5.000 . 6.000 3.613 3.493 3.770 . 0 0 "[ . 1 . 2 ]" 1
1288 1 25 LEU MD1 1 62 PHE HA 5.000 . 6.000 1.908 1.798 1.998 0.002 20 0 "[ . 1 . 2 ]" 1
1289 1 25 LEU MD1 1 62 PHE HB3 4.000 . 4.750 3.815 3.662 3.987 . 0 0 "[ . 1 . 2 ]" 1
1290 1 25 LEU MD1 1 62 PHE HB2 5.000 . 6.000 2.419 2.240 2.712 . 0 0 "[ . 1 . 2 ]" 1
1291 1 25 LEU MD1 1 62 PHE QD 5.000 . 6.000 2.640 2.409 2.760 . 0 0 "[ . 1 . 2 ]" 1
1292 1 25 LEU MD1 1 62 PHE QE 5.000 . 6.000 4.389 4.269 4.464 . 0 0 "[ . 1 . 2 ]" 1
1293 1 25 LEU MD2 1 62 PHE H 5.000 . 6.000 4.920 4.823 5.010 . 0 0 "[ . 1 . 2 ]" 1
1294 1 25 LEU MD2 1 62 PHE HA 5.000 . 6.000 2.736 2.639 2.830 . 0 0 "[ . 1 . 2 ]" 1
1295 1 25 LEU MD2 1 62 PHE HB3 5.000 . 6.000 4.273 4.181 4.358 . 0 0 "[ . 1 . 2 ]" 1
1296 1 25 LEU MD2 1 62 PHE HB2 5.000 . 6.000 3.152 3.032 3.284 . 0 0 "[ . 1 . 2 ]" 1
1297 1 25 LEU MD2 1 62 PHE QD 5.000 . 6.000 1.712 1.692 1.744 0.108 20 0 "[ . 1 . 2 ]" 1
1298 1 25 LEU MD2 1 62 PHE QE 5.000 . 6.000 2.530 2.453 2.629 . 0 0 "[ . 1 . 2 ]" 1
1299 1 25 LEU HA 1 65 TYR QE 5.000 . 6.000 4.392 4.341 4.438 . 0 0 "[ . 1 . 2 ]" 1
1300 1 25 LEU HB3 1 65 TYR QD 5.000 . 6.000 2.857 2.821 2.897 . 0 0 "[ . 1 . 2 ]" 1
1301 1 25 LEU HB3 1 65 TYR QE 4.000 . 4.750 2.808 2.771 2.836 . 0 0 "[ . 1 . 2 ]" 1
1302 1 25 LEU HB2 1 65 TYR QD 5.000 . 6.000 2.716 2.622 2.842 . 0 0 "[ . 1 . 2 ]" 1
1303 1 25 LEU HB2 1 65 TYR QE 4.000 . 4.750 3.493 3.439 3.551 . 0 0 "[ . 1 . 2 ]" 1
1304 1 25 LEU MD1 1 65 TYR H 5.000 . 6.000 4.097 3.948 4.194 . 0 0 "[ . 1 . 2 ]" 1
1305 1 25 LEU MD1 1 65 TYR HA 5.000 . 6.000 4.661 4.540 4.807 . 0 0 "[ . 1 . 2 ]" 1
1306 1 25 LEU MD1 1 65 TYR HB3 4.000 . 4.750 2.764 2.592 2.932 . 0 0 "[ . 1 . 2 ]" 1
1307 1 25 LEU MD1 1 65 TYR HB2 4.000 . 4.750 2.546 2.385 2.774 . 0 0 "[ . 1 . 2 ]" 1
1308 1 25 LEU MD1 1 65 TYR QD 5.000 . 6.000 3.378 3.306 3.442 . 0 0 "[ . 1 . 2 ]" 1
1309 1 25 LEU MD1 1 65 TYR QE 5.000 . 6.000 4.465 4.427 4.481 . 0 0 "[ . 1 . 2 ]" 1
1310 1 25 LEU MD2 1 65 TYR HA 5.000 . 6.000 5.031 5.001 5.046 . 0 0 "[ . 1 . 2 ]" 1
1311 1 25 LEU MD2 1 65 TYR HB3 5.000 . 6.000 2.803 2.771 2.874 . 0 0 "[ . 1 . 2 ]" 1
1312 1 25 LEU MD2 1 65 TYR HB2 5.000 . 6.000 3.494 3.447 3.541 . 0 0 "[ . 1 . 2 ]" 1
1313 1 25 LEU MD2 1 65 TYR QD 5.000 . 6.000 2.358 2.267 2.522 . 0 0 "[ . 1 . 2 ]" 1
1314 1 25 LEU MD2 1 65 TYR QE 5.000 . 6.000 2.988 2.921 3.082 . 0 0 "[ . 1 . 2 ]" 1
1315 1 25 LEU MD1 1 66 LYS H 5.000 . 6.000 4.966 4.827 5.013 . 0 0 "[ . 1 . 2 ]" 1
1316 1 26 LYS H 1 65 TYR QD 4.000 . 4.750 3.365 3.228 3.475 . 0 0 "[ . 1 . 2 ]" 1
1317 1 26 LYS H 1 65 TYR QE 4.000 . 4.750 2.653 2.578 2.813 . 0 0 "[ . 1 . 2 ]" 1
1318 1 26 LYS HA 1 65 TYR QD 4.000 . 4.750 4.206 4.120 4.252 . 0 0 "[ . 1 . 2 ]" 1
1319 1 26 LYS HA 1 65 TYR QE 3.000 . 3.500 1.883 1.841 1.919 . 0 0 "[ . 1 . 2 ]" 1
1320 1 26 LYS QB 1 65 TYR QD 4.000 . 4.750 3.463 3.308 3.691 . 0 0 "[ . 1 . 2 ]" 1
1321 1 26 LYS QB 1 65 TYR QE 3.000 . 3.500 2.627 2.413 2.784 . 0 0 "[ . 1 . 2 ]" 1
1322 1 26 LYS QG 1 65 TYR QD 5.000 . 6.000 4.298 3.504 4.771 . 0 0 "[ . 1 . 2 ]" 1
1323 1 26 LYS QG 1 65 TYR QE 4.000 . 4.750 2.820 2.060 3.258 . 0 0 "[ . 1 . 2 ]" 1
1324 1 26 LYS QD 1 65 TYR QE 5.000 . 6.000 4.155 2.663 4.776 . 0 0 "[ . 1 . 2 ]" 1
1325 1 28 LYS HB2 1 42 MET HB3 4.000 . 4.750 3.981 3.755 4.149 . 0 0 "[ . 1 . 2 ]" 1
1326 1 28 LYS HB2 1 42 MET ME 5.000 . 6.000 3.803 3.483 4.187 . 0 0 "[ . 1 . 2 ]" 1
1327 1 28 LYS QG 1 42 MET HB2 4.000 . 4.750 3.261 2.974 3.683 . 0 0 "[ . 1 . 2 ]" 1
1328 1 28 LYS H 1 43 ILE MG 5.000 . 6.000 4.314 4.201 4.405 . 0 0 "[ . 1 . 2 ]" 1
1329 1 28 LYS HA 1 43 ILE MG 5.000 . 6.000 4.991 4.858 5.040 . 0 0 "[ . 1 . 2 ]" 1
1330 1 28 LYS HB3 1 43 ILE MG 5.000 . 6.000 3.198 3.069 3.285 . 0 0 "[ . 1 . 2 ]" 1
1331 1 28 LYS HB2 1 43 ILE MG 4.000 . 4.750 2.853 2.718 2.929 . 0 0 "[ . 1 . 2 ]" 1
1332 1 28 LYS QG 1 43 ILE HA 4.000 . 4.750 2.302 1.910 2.518 . 0 0 "[ . 1 . 2 ]" 1
1333 1 28 LYS QG 1 43 ILE MG 4.000 . 4.750 2.403 2.182 2.575 . 0 0 "[ . 1 . 2 ]" 1
1334 1 28 LYS QD 1 43 ILE HA 4.000 . 4.750 2.421 2.105 2.666 . 0 0 "[ . 1 . 2 ]" 1
1335 1 28 LYS QD 1 43 ILE MG 4.000 . 4.750 2.907 2.709 3.120 . 0 0 "[ . 1 . 2 ]" 1
1336 1 28 LYS QE 1 43 ILE HA 5.000 . 6.000 2.859 2.253 3.679 . 0 0 "[ . 1 . 2 ]" 1
1337 1 28 LYS QE 1 43 ILE MG 5.000 . 6.000 4.149 3.873 4.482 . 0 0 "[ . 1 . 2 ]" 1
1338 1 29 ARG HA 1 65 TYR QE 5.000 . 6.000 4.900 4.679 5.116 . 0 0 "[ . 1 . 2 ]" 1
1339 1 30 VAL HB 1 39 ALA MB 5.000 . 6.000 4.069 3.806 4.292 . 0 0 "[ . 1 . 2 ]" 1
1340 1 30 VAL MG1 1 39 ALA H 5.000 . 6.000 3.904 3.554 4.064 . 0 0 "[ . 1 . 2 ]" 1
1341 1 30 VAL MG1 1 39 ALA HA 4.000 . 4.750 2.450 1.912 2.717 . 0 0 "[ . 1 . 2 ]" 1
1342 1 30 VAL MG1 1 39 ALA MB 4.000 . 4.750 1.924 1.783 2.168 0.017 10 0 "[ . 1 . 2 ]" 1
1343 1 30 VAL MG2 1 39 ALA HA 5.000 . 6.000 2.480 2.117 2.827 . 0 0 "[ . 1 . 2 ]" 1
1344 1 30 VAL MG2 1 39 ALA MB 5.000 . 6.000 2.827 2.400 3.205 . 0 0 "[ . 1 . 2 ]" 1
1345 1 30 VAL H 1 42 MET ME 5.000 . 6.000 3.818 3.144 4.184 . 0 0 "[ . 1 . 2 ]" 1
1346 1 30 VAL HA 1 42 MET ME 4.000 . 4.750 2.936 2.486 3.203 . 0 0 "[ . 1 . 2 ]" 1
1347 1 30 VAL MG1 1 42 MET HB2 5.000 . 6.000 4.266 3.627 4.524 . 0 0 "[ . 1 . 2 ]" 1
1348 1 30 VAL MG1 1 42 MET ME 5.000 . 6.000 3.682 2.886 4.058 . 0 0 "[ . 1 . 2 ]" 1
1349 1 30 VAL MG1 1 42 MET QG 5.000 . 6.000 4.457 4.346 4.487 . 0 0 "[ . 1 . 2 ]" 1
1350 1 30 VAL MG2 1 42 MET H 5.000 . 6.000 4.796 4.637 4.990 . 0 0 "[ . 1 . 2 ]" 1
1351 1 30 VAL MG2 1 42 MET HB3 4.000 . 4.750 3.205 3.037 3.430 . 0 0 "[ . 1 . 2 ]" 1
1352 1 30 VAL MG2 1 42 MET HB2 4.000 . 4.750 2.959 2.824 3.165 . 0 0 "[ . 1 . 2 ]" 1
1353 1 30 VAL MG2 1 42 MET ME 5.000 . 6.000 2.275 1.866 2.619 . 0 0 "[ . 1 . 2 ]" 1
1354 1 30 VAL MG2 1 42 MET QG 5.000 . 6.000 3.691 3.329 4.272 . 0 0 "[ . 1 . 2 ]" 1
1355 1 30 VAL H 1 43 ILE MG 5.000 . 6.000 4.832 4.659 4.926 . 0 0 "[ . 1 . 2 ]" 1
1356 1 30 VAL MG1 1 43 ILE MG 5.000 . 6.000 3.787 3.523 4.034 . 0 0 "[ . 1 . 2 ]" 1
1357 1 30 VAL MG2 1 43 ILE H 5.000 . 6.000 4.344 4.124 4.525 . 0 0 "[ . 1 . 2 ]" 1
1358 1 30 VAL MG2 1 43 ILE HA 5.000 . 6.000 4.778 4.582 4.969 . 0 0 "[ . 1 . 2 ]" 1
1359 1 30 VAL MG2 1 43 ILE MG 5.000 . 6.000 2.464 2.324 2.585 . 0 0 "[ . 1 . 2 ]" 1
1360 1 30 VAL HB 1 62 PHE QE 5.000 . 6.000 3.917 3.529 4.300 . 0 0 "[ . 1 . 2 ]" 1
1361 1 30 VAL MG1 1 62 PHE QD 5.000 . 6.000 3.247 3.099 3.509 . 0 0 "[ . 1 . 2 ]" 1
1362 1 30 VAL MG1 1 62 PHE QE 4.000 . 4.750 1.945 1.820 2.247 . 0 0 "[ . 1 . 2 ]" 1
1363 1 30 VAL MG2 1 62 PHE QD 5.000 . 6.000 4.485 4.466 4.509 . 0 0 "[ . 1 . 2 ]" 1
1364 1 30 VAL MG2 1 62 PHE QE 5.000 . 6.000 4.100 3.960 4.307 . 0 0 "[ . 1 . 2 ]" 1
1365 1 30 VAL H 1 65 TYR QE 4.000 . 4.750 3.777 3.597 3.940 . 0 0 "[ . 1 . 2 ]" 1
1366 1 30 VAL HA 1 65 TYR QE 5.000 . 6.000 4.198 4.136 4.308 . 0 0 "[ . 1 . 2 ]" 1
1367 1 30 VAL HB 1 65 TYR QD 4.000 . 4.750 3.716 3.551 3.838 . 0 0 "[ . 1 . 2 ]" 1
1368 1 30 VAL HB 1 65 TYR QE 3.000 . 3.500 2.166 2.019 2.326 . 0 0 "[ . 1 . 2 ]" 1
1369 1 30 VAL MG1 1 65 TYR QD 5.000 . 6.000 3.219 2.779 3.792 . 0 0 "[ . 1 . 2 ]" 1
1370 1 30 VAL MG1 1 65 TYR QE 4.000 . 4.750 2.442 2.094 3.048 . 0 0 "[ . 1 . 2 ]" 1
1371 1 30 VAL MG2 1 65 TYR QE 5.000 . 6.000 3.682 3.508 3.794 . 0 0 "[ . 1 . 2 ]" 1
1372 1 31 PRO HD2 1 39 ALA MB 5.000 . 6.000 4.296 4.118 4.580 . 0 0 "[ . 1 . 2 ]" 1
1373 1 31 PRO HD3 1 42 MET ME 4.000 . 4.750 3.649 3.372 3.864 . 0 0 "[ . 1 . 2 ]" 1
1374 1 31 PRO HD2 1 42 MET ME 4.000 . 4.750 3.892 3.710 3.986 . 0 0 "[ . 1 . 2 ]" 1
1375 1 32 SER HA 1 65 TYR QD 4.000 . 4.750 4.198 4.029 4.258 . 0 0 "[ . 1 . 2 ]" 1
1376 1 32 SER HA 1 65 TYR QE 4.000 . 4.750 3.963 3.849 4.099 . 0 0 "[ . 1 . 2 ]" 1
1377 1 32 SER HA 1 66 LYS H 4.000 . 4.750 4.687 4.479 4.762 0.012 19 0 "[ . 1 . 2 ]" 1
1378 1 32 SER HA 1 66 LYS HA 3.000 . 3.500 2.402 2.188 2.663 . 0 0 "[ . 1 . 2 ]" 1
1379 1 32 SER HA 1 66 LYS QG 3.000 . 3.500 2.473 1.822 2.844 . 0 0 "[ . 1 . 2 ]" 1
1380 1 32 SER HA 1 66 LYS QD 4.000 . 4.750 2.890 2.161 4.033 . 0 0 "[ . 1 . 2 ]" 1
1381 1 32 SER QB 1 66 LYS HA 4.000 . 4.750 3.277 2.965 3.762 . 0 0 "[ . 1 . 2 ]" 1
1382 1 32 SER H 1 69 THR MG 5.000 . 6.000 4.361 3.226 5.009 . 0 0 "[ . 1 . 2 ]" 1
1383 1 32 SER QB 1 69 THR MG 5.000 . 6.000 3.376 2.115 4.221 . 0 0 "[ . 1 . 2 ]" 1
1384 1 34 ALA MB 1 39 ALA H 5.000 . 6.000 3.085 2.983 3.158 . 0 0 "[ . 1 . 2 ]" 1
1385 1 34 ALA MB 1 39 ALA HA 5.000 . 6.000 3.449 3.324 3.622 . 0 0 "[ . 1 . 2 ]" 1
1386 1 34 ALA MB 1 39 ALA MB 5.000 . 6.000 2.278 2.070 2.514 . 0 0 "[ . 1 . 2 ]" 1
1387 1 34 ALA H 1 62 PHE QE 4.000 . 4.750 4.071 3.949 4.228 . 0 0 "[ . 1 . 2 ]" 1
1388 1 34 ALA HA 1 62 PHE QE 5.000 . 6.000 5.161 5.127 5.207 . 0 0 "[ . 1 . 2 ]" 1
1389 1 34 ALA MB 1 62 PHE QD 5.000 . 6.000 4.498 4.482 4.518 . 0 0 "[ . 1 . 2 ]" 1
1390 1 34 ALA MB 1 62 PHE QE 4.000 . 4.750 2.623 2.525 2.688 . 0 0 "[ . 1 . 2 ]" 1
1391 1 34 ALA H 1 66 LYS QD 4.000 . 4.750 2.794 2.404 4.263 . 0 0 "[ . 1 . 2 ]" 1
1392 1 35 SER H 1 62 PHE QE 5.000 . 6.000 4.774 4.709 4.850 . 0 0 "[ . 1 . 2 ]" 1
1393 1 35 SER HA 1 62 PHE QE 5.000 . 6.000 3.442 3.389 3.481 . 0 0 "[ . 1 . 2 ]" 1
1394 1 35 SER QB 1 62 PHE QE 5.000 . 6.000 4.769 4.714 4.806 . 0 0 "[ . 1 . 2 ]" 1
1395 1 36 TRP HE3 1 43 ILE MD 5.000 . 6.000 4.219 4.075 4.445 . 0 0 "[ . 1 . 2 ]" 1
1396 1 36 TRP HZ2 1 43 ILE MD 5.000 . 6.000 4.348 4.059 4.558 . 0 0 "[ . 1 . 2 ]" 1
1397 1 36 TRP HZ3 1 43 ILE HG12 5.000 . 6.000 4.266 3.881 4.674 . 0 0 "[ . 1 . 2 ]" 1
1398 1 36 TRP HZ3 1 43 ILE MD 5.000 . 6.000 2.320 2.132 2.655 . 0 0 "[ . 1 . 2 ]" 1
1399 1 36 TRP HZ2 1 49 TYR QD 5.000 . 6.000 5.432 5.381 5.481 . 0 0 "[ . 1 . 2 ]" 1
1400 1 36 TRP HZ2 1 49 TYR QE 4.000 . 4.750 3.347 3.239 3.423 . 0 0 "[ . 1 . 2 ]" 1
1401 1 36 TRP HZ3 1 49 TYR QE 4.000 . 4.750 3.549 3.353 3.817 . 0 0 "[ . 1 . 2 ]" 1
1402 1 36 TRP HH2 1 49 TYR QE 3.000 . 3.500 1.915 1.824 2.269 . 0 0 "[ . 1 . 2 ]" 1
1403 1 36 TRP HD1 1 55 LEU QD 5.000 . 6.000 3.815 3.454 4.468 . 0 0 "[ . 1 . 2 ]" 1
1404 1 36 TRP HE1 1 55 LEU QD 5.000 . 6.000 1.966 1.806 2.754 . 0 0 "[ . 1 . 2 ]" 1
1405 1 36 TRP HZ2 1 55 LEU HA 5.000 . 6.000 4.015 3.870 4.246 . 0 0 "[ . 1 . 2 ]" 1
1406 1 36 TRP HZ2 1 55 LEU QD 4.000 . 4.750 1.719 1.665 1.857 0.135 12 0 "[ . 1 . 2 ]" 1
1407 1 36 TRP HZ3 1 55 LEU QD 5.000 . 6.000 4.397 4.300 4.530 . 0 0 "[ . 1 . 2 ]" 1
1408 1 36 TRP HH2 1 55 LEU QD 5.000 . 6.000 2.985 2.721 3.127 . 0 0 "[ . 1 . 2 ]" 1
1409 1 36 TRP HZ2 1 58 LYS QB 4.000 . 4.750 3.064 2.852 3.363 . 0 0 "[ . 1 . 2 ]" 1
1410 1 36 TRP HZ2 1 58 LYS QD 4.000 . 4.750 3.067 2.672 3.458 . 0 0 "[ . 1 . 2 ]" 1
1411 1 36 TRP HZ3 1 58 LYS QB 4.000 . 4.750 3.835 3.506 3.959 . 0 0 "[ . 1 . 2 ]" 1
1412 1 36 TRP HH2 1 58 LYS HA 5.000 . 6.000 4.412 4.280 4.559 . 0 0 "[ . 1 . 2 ]" 1
1413 1 36 TRP HH2 1 58 LYS QB 3.000 . 3.500 2.193 1.931 2.334 . 0 0 "[ . 1 . 2 ]" 1
1414 1 36 TRP HD1 1 59 LYS QG 5.000 . 6.000 4.177 3.513 5.041 . 0 0 "[ . 1 . 2 ]" 1
1415 1 36 TRP HD1 1 59 LYS QE 4.000 . 4.750 3.013 2.293 4.234 . 0 0 "[ . 1 . 2 ]" 1
1416 1 36 TRP HE3 1 59 LYS HA 4.000 . 4.750 3.690 3.449 3.997 . 0 0 "[ . 1 . 2 ]" 1
1417 1 36 TRP HE3 1 59 LYS QG 5.000 . 6.000 3.825 3.175 4.697 . 0 0 "[ . 1 . 2 ]" 1
1418 1 36 TRP HZ2 1 59 LYS QG 4.000 . 4.750 3.624 3.308 4.002 . 0 0 "[ . 1 . 2 ]" 1
1419 1 36 TRP HZ3 1 59 LYS HA 4.000 . 4.750 3.743 3.309 4.126 . 0 0 "[ . 1 . 2 ]" 1
1420 1 36 TRP H 1 62 PHE QE 4.000 . 4.750 2.766 2.604 3.000 . 0 0 "[ . 1 . 2 ]" 1
1421 1 36 TRP HA 1 62 PHE QD 4.000 . 4.750 2.655 2.474 2.837 . 0 0 "[ . 1 . 2 ]" 1
1422 1 36 TRP HA 1 62 PHE QE 3.000 . 3.500 2.077 1.964 2.177 . 0 0 "[ . 1 . 2 ]" 1
1423 1 36 TRP HB3 1 62 PHE QE 4.000 . 4.750 4.207 4.029 4.269 . 0 0 "[ . 1 . 2 ]" 1
1424 1 36 TRP HE3 1 62 PHE HB3 4.000 . 4.750 3.492 3.380 3.604 . 0 0 "[ . 1 . 2 ]" 1
1425 1 36 TRP HE3 1 62 PHE QD 2.500 . 2.800 1.905 1.839 2.087 . 0 0 "[ . 1 . 2 ]" 1
1426 1 36 TRP HE3 1 62 PHE QE 3.000 . 3.500 3.101 3.007 3.163 . 0 0 "[ . 1 . 2 ]" 1
1427 1 36 TRP HZ3 1 62 PHE HB3 4.000 . 4.750 3.405 3.193 3.580 . 0 0 "[ . 1 . 2 ]" 1
1428 1 36 TRP HZ3 1 62 PHE HB2 4.000 . 4.750 2.359 2.204 2.502 . 0 0 "[ . 1 . 2 ]" 1
1429 1 36 TRP HZ3 1 62 PHE QD 4.000 . 4.750 3.473 3.335 3.576 . 0 0 "[ . 1 . 2 ]" 1
1430 1 36 TRP HZ3 1 62 PHE QE 5.000 . 6.000 5.012 4.914 5.101 . 0 0 "[ . 1 . 2 ]" 1
1431 1 36 TRP HE3 1 63 ASN H 5.000 . 6.000 5.735 5.621 5.815 . 0 0 "[ . 1 . 2 ]" 1
1432 1 36 TRP HZ3 1 63 ASN H 5.000 . 6.000 5.874 5.670 6.008 0.008 19 0 "[ . 1 . 2 ]" 1
1433 1 39 ALA H 1 62 PHE QE 5.000 . 6.000 4.067 3.947 4.178 . 0 0 "[ . 1 . 2 ]" 1
1434 1 39 ALA HA 1 62 PHE QE 5.000 . 6.000 4.572 4.389 4.761 . 0 0 "[ . 1 . 2 ]" 1
1435 1 39 ALA MB 1 62 PHE QD 5.000 . 6.000 2.943 2.870 3.041 . 0 0 "[ . 1 . 2 ]" 1
1436 1 39 ALA MB 1 62 PHE QE 4.000 . 4.750 2.394 2.240 2.518 . 0 0 "[ . 1 . 2 ]" 1
1437 1 40 MET HB3 1 49 TYR QE 5.000 . 6.000 4.743 4.545 4.956 . 0 0 "[ . 1 . 2 ]" 1
1438 1 40 MET ME 1 49 TYR QE 5.000 . 6.000 4.282 3.971 4.458 . 0 0 "[ . 1 . 2 ]" 1
1439 1 40 MET QG 1 49 TYR QD 5.000 . 6.000 4.037 3.925 4.231 . 0 0 "[ . 1 . 2 ]" 1
1440 1 40 MET QG 1 49 TYR QE 5.000 . 6.000 2.341 1.977 2.770 . 0 0 "[ . 1 . 2 ]" 1
1441 1 40 MET ME 1 55 LEU QD 5.000 . 6.000 3.427 2.707 3.709 . 0 0 "[ . 1 . 2 ]" 1
1442 1 43 ILE HA 1 49 TYR QD 5.000 . 6.000 4.666 4.466 4.778 . 0 0 "[ . 1 . 2 ]" 1
1443 1 43 ILE HB 1 49 TYR QD 4.000 . 4.750 3.068 2.865 3.197 . 0 0 "[ . 1 . 2 ]" 1
1444 1 43 ILE HB 1 49 TYR QE 5.000 . 6.000 4.609 4.423 4.704 . 0 0 "[ . 1 . 2 ]" 1
1445 1 43 ILE HG13 1 49 TYR QD 4.000 . 4.750 1.824 1.793 1.884 0.007 13 0 "[ . 1 . 2 ]" 1
1446 1 43 ILE HG13 1 49 TYR QE 4.000 . 4.750 2.727 2.593 2.817 . 0 0 "[ . 1 . 2 ]" 1
1447 1 43 ILE HG12 1 49 TYR QD 4.000 . 4.750 3.379 3.319 3.456 . 0 0 "[ . 1 . 2 ]" 1
1448 1 43 ILE HG12 1 49 TYR QE 4.000 . 4.750 3.250 3.103 3.432 . 0 0 "[ . 1 . 2 ]" 1
1449 1 43 ILE MG 1 49 TYR QD 5.000 . 6.000 4.131 4.067 4.189 . 0 0 "[ . 1 . 2 ]" 1
1450 1 43 ILE MG 1 49 TYR QE 5.000 . 6.000 4.483 4.447 4.516 . 0 0 "[ . 1 . 2 ]" 1
1451 1 43 ILE MD 1 49 TYR HA 5.000 . 6.000 3.490 3.230 3.639 . 0 0 "[ . 1 . 2 ]" 1
1452 1 43 ILE MD 1 49 TYR HB2 5.000 . 6.000 4.060 3.887 4.196 . 0 0 "[ . 1 . 2 ]" 1
1453 1 43 ILE MD 1 49 TYR QD 4.000 . 4.750 1.831 1.805 1.986 . 0 0 "[ . 1 . 2 ]" 1
1454 1 43 ILE MD 1 49 TYR QE 4.000 . 4.750 1.806 1.773 1.884 0.027 14 0 "[ . 1 . 2 ]" 1
1455 1 43 ILE MD 1 58 LYS QB 5.000 . 6.000 3.739 3.562 3.900 . 0 0 "[ . 1 . 2 ]" 1
1456 1 44 ILE HA 1 49 TYR H 5.000 . 6.000 4.030 3.897 4.182 . 0 0 "[ . 1 . 2 ]" 1
1457 1 44 ILE HA 1 49 TYR HB2 4.000 . 4.750 1.980 1.870 2.103 . 0 0 "[ . 1 . 2 ]" 1
1458 1 44 ILE HA 1 49 TYR QE 4.000 . 4.750 4.200 4.086 4.284 . 0 0 "[ . 1 . 2 ]" 1
1459 1 44 ILE MG 1 49 TYR HB3 5.000 . 6.000 5.055 5.011 5.085 . 0 0 "[ . 1 . 2 ]" 1
1460 1 44 ILE MD 1 49 TYR HB3 5.000 . 6.000 4.570 4.307 4.838 . 0 0 "[ . 1 . 2 ]" 1
1461 1 44 ILE MD 1 49 TYR QD 4.000 . 4.750 3.224 2.856 3.582 . 0 0 "[ . 1 . 2 ]" 1
1462 1 44 ILE MD 1 49 TYR QE 4.000 . 4.750 2.379 2.093 2.979 . 0 0 "[ . 1 . 2 ]" 1
1463 1 44 ILE QG 1 49 TYR QD 4.000 . 4.750 2.442 2.225 2.589 . 0 0 "[ . 1 . 2 ]" 1
1464 1 44 ILE QG 1 49 TYR QE 4.000 . 4.750 3.121 2.710 3.257 . 0 0 "[ . 1 . 2 ]" 1
1465 1 49 TYR QE 1 55 LEU QD 5.000 . 6.000 2.965 2.574 3.727 . 0 0 "[ . 1 . 2 ]" 1
1466 1 49 TYR QD 1 58 LYS QD 4.000 . 4.750 3.492 3.126 3.817 . 0 0 "[ . 1 . 2 ]" 1
1467 1 49 TYR QE 1 58 LYS QB 4.000 . 4.750 3.506 3.312 3.710 . 0 0 "[ . 1 . 2 ]" 1
1468 1 49 TYR QE 1 58 LYS QD 4.000 . 4.750 2.736 2.599 2.922 . 0 0 "[ . 1 . 2 ]" 1
1469 1 49 TYR QE 1 58 LYS QE 3.000 . 3.500 2.704 2.094 2.842 . 0 0 "[ . 1 . 2 ]" 1
1470 1 52 LEU MD1 1 57 GLU QB 5.000 . 6.000 2.791 2.475 3.661 . 0 0 "[ . 1 . 2 ]" 1
1471 1 52 LEU MD1 1 57 GLU QG 5.000 . 6.000 2.261 1.787 2.692 0.013 22 0 "[ . 1 . 2 ]" 1
1472 1 52 LEU MD2 1 57 GLU HA 5.000 . 6.000 4.962 4.459 5.052 . 0 0 "[ . 1 . 2 ]" 1
1473 1 52 LEU MD2 1 57 GLU QB 5.000 . 6.000 2.883 2.391 3.455 . 0 0 "[ . 1 . 2 ]" 1
1474 1 52 LEU MD2 1 57 GLU QG 5.000 . 6.000 2.960 1.811 3.144 . 0 0 "[ . 1 . 2 ]" 1
1475 1 52 LEU QB 1 57 GLU HA 5.000 . 6.000 5.365 5.286 5.433 . 0 0 "[ . 1 . 2 ]" 1
1476 1 52 LEU QB 1 57 GLU QB 4.000 . 4.750 3.669 3.588 3.819 . 0 0 "[ . 1 . 2 ]" 1
1477 1 52 LEU QB 1 57 GLU QG 4.000 . 4.750 2.100 1.958 2.207 . 0 0 "[ . 1 . 2 ]" 1
1478 1 52 LEU HG 1 58 LYS HA 4.000 . 4.750 4.187 3.967 4.440 . 0 0 "[ . 1 . 2 ]" 1
1479 1 52 LEU MD1 1 58 LYS H 5.000 . 6.000 2.973 2.740 3.208 . 0 0 "[ . 1 . 2 ]" 1
1480 1 52 LEU MD1 1 58 LYS HA 4.000 . 4.750 1.809 1.711 1.961 0.089 21 0 "[ . 1 . 2 ]" 1
1481 1 52 LEU MD1 1 58 LYS QG 5.000 . 6.000 2.286 1.865 2.460 . 0 0 "[ . 1 . 2 ]" 1
1482 1 52 LEU MD2 1 58 LYS H 5.000 . 6.000 4.610 4.236 4.708 . 0 0 "[ . 1 . 2 ]" 1
1483 1 52 LEU MD2 1 58 LYS HA 5.000 . 6.000 4.278 3.885 4.438 . 0 0 "[ . 1 . 2 ]" 1
1484 1 52 LEU QB 1 58 LYS H 4.000 . 4.750 3.317 3.215 3.398 . 0 0 "[ . 1 . 2 ]" 1
1485 1 52 LEU QB 1 58 LYS HA 4.000 . 4.750 3.109 2.992 3.211 . 0 0 "[ . 1 . 2 ]" 1
1486 1 52 LEU QB 1 58 LYS QG 4.000 . 4.750 1.708 1.657 1.836 0.143 2 0 "[ . 1 . 2 ]" 1
1487 1 52 LEU MD1 1 61 ALA H 5.000 . 6.000 3.635 3.514 3.750 . 0 0 "[ . 1 . 2 ]" 1
1488 1 52 LEU MD1 1 61 ALA HA 5.000 . 6.000 4.624 4.450 4.777 . 0 0 "[ . 1 . 2 ]" 1
1489 1 52 LEU MD1 1 61 ALA MB 5.000 . 6.000 2.318 2.171 2.453 . 0 0 "[ . 1 . 2 ]" 1
1490 1 52 LEU MD2 1 61 ALA MB 5.000 . 6.000 3.915 3.690 4.146 . 0 0 "[ . 1 . 2 ]" 1
1491 1 52 LEU MD1 1 62 PHE H 5.000 . 6.000 4.602 4.445 4.747 . 0 0 "[ . 1 . 2 ]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 70
_Distance_constraint_stats_list.Viol_count 699
_Distance_constraint_stats_list.Viol_total 991.147
_Distance_constraint_stats_list.Viol_max 1.681
_Distance_constraint_stats_list.Viol_rms 0.1304
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0268
_Distance_constraint_stats_list.Viol_average_violations_only 0.0616
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 14 LYS 0.014 0.012 6 0 "[ . 1 . 2 ]"
1 15 GLU 0.148 0.032 10 0 "[ . 1 . 2 ]"
1 16 GLU 0.024 0.022 18 0 "[ . 1 . 2 ]"
1 17 ALA 1.318 0.092 12 0 "[ . 1 . 2 ]"
1 18 LYS 0.105 0.050 5 0 "[ . 1 . 2 ]"
1 19 GLN 0.454 0.046 4 0 "[ . 1 . 2 ]"
1 20 ALA 0.314 0.061 8 0 "[ . 1 . 2 ]"
1 21 PHE 2.775 0.111 20 0 "[ . 1 . 2 ]"
1 22 LYS 0.489 0.050 5 0 "[ . 1 . 2 ]"
1 23 GLU 0.322 0.046 4 0 "[ . 1 . 2 ]"
1 24 LEU 0.370 0.061 8 0 "[ . 1 . 2 ]"
1 25 LEU 2.534 0.111 20 0 "[ . 1 . 2 ]"
1 26 LYS 0.398 0.047 22 0 "[ . 1 . 2 ]"
1 27 GLU 0.016 0.013 4 0 "[ . 1 . 2 ]"
1 28 LYS 0.080 0.036 17 0 "[ . 1 . 2 ]"
1 30 VAL 1.077 0.066 11 0 "[ . 1 . 2 ]"
1 35 SER 0.681 0.042 10 0 "[ . 1 . 2 ]"
1 36 TRP 0.883 0.066 5 0 "[ . 1 . 2 ]"
1 37 GLU 0.616 0.054 6 0 "[ . 1 . 2 ]"
1 38 GLN 1.446 0.050 7 0 "[ . 1 . 2 ]"
1 39 ALA 0.097 0.016 8 0 "[ . 1 . 2 ]"
1 40 MET 3.756 0.150 12 0 "[ . 1 . 2 ]"
1 41 LYS 4.624 0.140 12 0 "[ . 1 . 2 ]"
1 42 MET 0.793 0.050 7 0 "[ . 1 . 2 ]"
1 43 ILE 0.819 0.051 10 0 "[ . 1 . 2 ]"
1 44 ILE 2.873 0.150 12 0 "[ . 1 . 2 ]"
1 45 ASN 4.008 0.140 12 0 "[ . 1 . 2 ]"
1 46 ASP 18.412 1.681 23 5 "[ * . *- *. 2 +]"
1 47 PRO 0.122 0.022 12 0 "[ . 1 . 2 ]"
1 48 ARG 17.214 1.681 23 5 "[ * . *- *. 2 +]"
1 49 TYR 5.497 0.128 22 0 "[ . 1 . 2 ]"
1 50 SER 0.122 0.022 12 0 "[ . 1 . 2 ]"
1 51 ALA 0.777 0.042 5 0 "[ . 1 . 2 ]"
1 52 LEU 4.272 0.128 22 0 "[ . 1 . 2 ]"
1 54 LYS 2.169 0.105 8 0 "[ . 1 . 2 ]"
1 55 LEU 0.175 0.040 6 0 "[ . 1 . 2 ]"
1 56 SER 0.414 0.049 8 0 "[ . 1 . 2 ]"
1 57 GLU 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 58 LYS 2.433 0.105 8 0 "[ . 1 . 2 ]"
1 59 LYS 0.293 0.040 6 0 "[ . 1 . 2 ]"
1 60 GLN 0.460 0.049 8 0 "[ . 1 . 2 ]"
1 61 ALA 0.044 0.024 12 0 "[ . 1 . 2 ]"
1 62 PHE 0.959 0.059 19 0 "[ . 1 . 2 ]"
1 63 ASN 0.560 0.063 15 0 "[ . 1 . 2 ]"
1 64 ALA 0.046 0.017 8 0 "[ . 1 . 2 ]"
1 65 TYR 0.044 0.024 12 0 "[ . 1 . 2 ]"
1 66 LYS 0.696 0.059 19 0 "[ . 1 . 2 ]"
1 67 VAL 0.442 0.063 15 0 "[ . 1 . 2 ]"
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 14 LYS O 1 18 LYS H 1.950 . 2.100 1.920 1.788 2.099 0.012 6 0 "[ . 1 . 2 ]" 2
2 1 14 LYS O 1 18 LYS N 2.900 2.700 3.100 2.876 2.746 3.064 . 0 0 "[ . 1 . 2 ]" 2
3 1 15 GLU O 1 19 GLN H 1.950 . 2.100 1.868 1.783 2.058 0.017 17 0 "[ . 1 . 2 ]" 2
4 1 15 GLU O 1 19 GLN N 2.900 2.700 3.100 2.744 2.668 2.914 0.032 10 0 "[ . 1 . 2 ]" 2
5 1 16 GLU O 1 20 ALA H 1.950 . 2.100 1.917 1.778 2.068 0.022 18 0 "[ . 1 . 2 ]" 2
6 1 16 GLU O 1 20 ALA N 2.900 2.700 3.100 2.839 2.728 2.985 . 0 0 "[ . 1 . 2 ]" 2
7 1 17 ALA O 1 21 PHE H 1.950 . 2.100 2.156 2.121 2.192 0.092 12 0 "[ . 1 . 2 ]" 2
8 1 17 ALA O 1 21 PHE N 2.900 2.700 3.100 3.061 3.016 3.114 0.014 15 0 "[ . 1 . 2 ]" 2
9 1 18 LYS O 1 22 LYS H 1.950 . 2.100 1.999 1.788 2.150 0.050 5 0 "[ . 1 . 2 ]" 2
10 1 18 LYS O 1 22 LYS N 2.900 2.700 3.100 2.953 2.732 3.103 0.003 5 0 "[ . 1 . 2 ]" 2
11 1 19 GLN O 1 23 GLU H 1.950 . 2.100 1.808 1.754 1.917 0.046 4 0 "[ . 1 . 2 ]" 2
12 1 19 GLN O 1 23 GLU N 2.900 2.700 3.100 2.754 2.677 2.883 0.023 4 0 "[ . 1 . 2 ]" 2
13 1 20 ALA O 1 24 LEU H 1.950 . 2.100 1.938 1.864 2.042 . 0 0 "[ . 1 . 2 ]" 2
14 1 20 ALA O 1 24 LEU N 2.900 2.700 3.100 2.705 2.639 2.781 0.061 8 0 "[ . 1 . 2 ]" 2
15 1 21 PHE O 1 25 LEU H 1.950 . 2.100 2.153 2.053 2.211 0.111 20 0 "[ . 1 . 2 ]" 2
16 1 21 PHE O 1 25 LEU N 2.900 2.700 3.100 3.088 2.985 3.132 0.032 20 0 "[ . 1 . 2 ]" 2
17 1 22 LYS O 1 26 LYS H 1.950 . 2.100 2.098 1.905 2.147 0.047 22 0 "[ . 1 . 2 ]" 2
18 1 22 LYS O 1 26 LYS N 2.900 2.700 3.100 3.031 2.880 3.080 . 0 0 "[ . 1 . 2 ]" 2
19 1 23 GLU O 1 27 GLU H 1.950 . 2.100 1.949 1.787 2.104 0.013 4 0 "[ . 1 . 2 ]" 2
20 1 23 GLU O 1 27 GLU N 2.900 2.700 3.100 2.891 2.728 3.049 . 0 0 "[ . 1 . 2 ]" 2
21 1 24 LEU O 1 28 LYS H 1.950 . 2.100 2.062 1.955 2.136 0.036 17 0 "[ . 1 . 2 ]" 2
22 1 24 LEU O 1 28 LYS N 2.900 2.700 3.100 2.880 2.773 2.946 . 0 0 "[ . 1 . 2 ]" 2
23 1 25 LEU O 1 30 VAL H 1.950 . 2.100 2.139 2.100 2.166 0.066 11 0 "[ . 1 . 2 ]" 2
24 1 25 LEU O 1 30 VAL N 2.900 2.700 3.100 3.103 3.047 3.132 0.032 17 0 "[ . 1 . 2 ]" 2
25 1 35 SER OG 1 38 GLN H 1.950 . 2.100 2.127 2.102 2.142 0.042 10 0 "[ . 1 . 2 ]" 2
26 1 35 SER OG 1 38 GLN N 2.900 2.700 3.100 3.093 3.063 3.107 0.007 6 0 "[ . 1 . 2 ]" 2
27 1 35 SER O 1 39 ALA H 1.950 . 2.100 1.859 1.787 1.946 0.013 11 0 "[ . 1 . 2 ]" 2
28 1 35 SER O 1 39 ALA N 2.900 2.700 3.100 2.827 2.756 2.913 . 0 0 "[ . 1 . 2 ]" 2
29 1 36 TRP O 1 40 MET H 1.950 . 2.100 1.805 1.781 1.826 0.019 5 0 "[ . 1 . 2 ]" 2
30 1 36 TRP O 1 40 MET N 2.900 2.700 3.100 2.665 2.634 2.692 0.066 5 0 "[ . 1 . 2 ]" 2
31 1 37 GLU O 1 41 LYS H 1.950 . 2.100 2.126 2.085 2.154 0.054 6 0 "[ . 1 . 2 ]" 2
32 1 37 GLU O 1 41 LYS N 2.900 2.700 3.100 3.080 3.045 3.106 0.006 20 0 "[ . 1 . 2 ]" 2
33 1 38 GLN O 1 42 MET H 1.950 . 2.100 2.134 2.102 2.150 0.050 7 0 "[ . 1 . 2 ]" 2
34 1 39 ALA O 1 43 ILE N 2.900 2.700 3.100 3.044 2.898 3.116 0.016 8 0 "[ . 1 . 2 ]" 2
35 1 40 MET O 1 44 ILE H 1.950 . 2.100 1.773 1.745 1.862 0.055 19 0 "[ . 1 . 2 ]" 2
36 1 40 MET O 1 44 ILE N 2.900 2.700 3.100 2.605 2.550 2.666 0.150 12 0 "[ . 1 . 2 ]" 2
37 1 41 LYS O 1 45 ASN H 1.950 . 2.100 2.203 2.176 2.240 0.140 12 0 "[ . 1 . 2 ]" 2
38 1 41 LYS O 1 45 ASN N 2.900 2.700 3.100 3.171 3.147 3.213 0.113 12 0 "[ . 1 . 2 ]" 2
39 1 43 ILE O 1 46 ASP H 1.950 . 2.100 2.133 2.117 2.151 0.051 10 0 "[ . 1 . 2 ]" 2
40 1 43 ILE O 1 46 ASP N 2.900 2.700 3.100 2.987 2.952 3.016 . 0 0 "[ . 1 . 2 ]" 2
41 1 46 ASP OD1 1 48 ARG H 1.950 . 2.100 2.306 1.780 3.781 1.681 23 5 "[ * . *- *. 2 +]" 2
42 1 46 ASP OD1 1 48 ARG N 2.900 2.700 3.100 3.258 2.692 4.753 1.653 23 5 "[ * . *- *. 2 +]" 2
43 1 46 ASP O 1 49 TYR H 1.950 . 2.100 2.146 2.128 2.171 0.071 9 0 "[ . 1 . 2 ]" 2
44 1 46 ASP O 1 49 TYR N 2.900 2.700 3.100 3.104 3.076 3.124 0.024 9 0 "[ . 1 . 2 ]" 2
45 1 47 PRO O 1 50 SER H 1.950 . 2.100 2.077 1.955 2.122 0.022 12 0 "[ . 1 . 2 ]" 2
46 1 47 PRO O 1 50 SER N 2.900 2.700 3.100 2.922 2.822 3.006 . 0 0 "[ . 1 . 2 ]" 2
47 1 48 ARG O 1 51 ALA H 1.950 . 2.100 1.787 1.770 1.822 0.030 14 0 "[ . 1 . 2 ]" 2
48 1 48 ARG O 1 51 ALA N 2.900 2.700 3.100 2.681 2.658 2.698 0.042 5 0 "[ . 1 . 2 ]" 2
49 1 49 TYR O 1 52 LEU H 1.950 . 2.100 2.206 2.185 2.228 0.128 22 0 "[ . 1 . 2 ]" 2
50 1 49 TYR O 1 52 LEU N 2.900 2.700 3.100 3.180 3.150 3.209 0.109 10 0 "[ . 1 . 2 ]" 2
51 1 54 LYS O 1 58 LYS H 1.950 . 2.100 2.185 2.078 2.205 0.105 8 0 "[ . 1 . 2 ]" 2
52 1 54 LYS O 1 58 LYS N 2.900 2.700 3.100 3.100 2.994 3.122 0.022 14 0 "[ . 1 . 2 ]" 2
53 1 55 LEU O 1 59 LYS H 1.950 . 2.100 1.830 1.760 2.019 0.040 6 0 "[ . 1 . 2 ]" 2
54 1 55 LEU O 1 59 LYS N 2.900 2.700 3.100 2.765 2.703 2.884 . 0 0 "[ . 1 . 2 ]" 2
55 1 56 SER O 1 60 GLN H 1.950 . 2.100 2.113 2.055 2.149 0.049 8 0 "[ . 1 . 2 ]" 2
56 1 56 SER O 1 60 GLN N 2.900 2.700 3.100 3.029 2.909 3.106 0.006 20 0 "[ . 1 . 2 ]" 2
57 1 57 GLU O 1 61 ALA H 1.950 . 2.100 1.963 1.873 2.065 . 0 0 "[ . 1 . 2 ]" 2
58 1 57 GLU O 1 61 ALA N 2.900 2.700 3.100 2.898 2.817 2.983 . 0 0 "[ . 1 . 2 ]" 2
59 1 58 LYS O 1 62 PHE H 1.950 . 2.100 2.093 1.999 2.135 0.035 5 0 "[ . 1 . 2 ]" 2
60 1 58 LYS O 1 62 PHE N 2.900 2.700 3.100 3.009 2.921 3.062 . 0 0 "[ . 1 . 2 ]" 2
61 1 59 LYS O 1 63 ASN H 1.950 . 2.100 1.843 1.767 1.941 0.033 13 0 "[ . 1 . 2 ]" 2
62 1 59 LYS O 1 63 ASN N 2.900 2.700 3.100 2.807 2.732 2.892 . 0 0 "[ . 1 . 2 ]" 2
63 1 60 GLN O 1 64 ALA H 1.950 . 2.100 2.045 1.894 2.117 0.017 8 0 "[ . 1 . 2 ]" 2
64 1 60 GLN O 1 64 ALA N 2.900 2.700 3.100 2.977 2.832 3.065 . 0 0 "[ . 1 . 2 ]" 2
65 1 61 ALA O 1 65 TYR H 1.950 . 2.100 1.906 1.850 1.979 . 0 0 "[ . 1 . 2 ]" 2
66 1 61 ALA O 1 65 TYR N 2.900 2.700 3.100 2.749 2.676 2.826 0.024 12 0 "[ . 1 . 2 ]" 2
67 1 62 PHE O 1 66 LYS H 1.950 . 2.100 2.122 1.960 2.159 0.059 19 0 "[ . 1 . 2 ]" 2
68 1 62 PHE O 1 66 LYS N 2.900 2.700 3.100 3.041 2.888 3.084 . 0 0 "[ . 1 . 2 ]" 2
69 1 63 ASN O 1 67 VAL H 1.950 . 2.100 2.109 2.012 2.163 0.063 15 0 "[ . 1 . 2 ]" 2
70 1 63 ASN O 1 67 VAL N 2.900 2.700 3.100 3.019 2.916 3.089 . 0 0 "[ . 1 . 2 ]" 2
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