Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542541 | 2ldm RC | 17673 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ldm
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 66
_Distance_constraint_stats_list.Viol_count 10
_Distance_constraint_stats_list.Viol_total 1.087
_Distance_constraint_stats_list.Viol_max 0.012
_Distance_constraint_stats_list.Viol_rms 0.0006
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0054
_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 6 GLU 0.011 0.011 12 0 "[ . 1 . 2]"
1 8 GLN 0.011 0.011 12 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.039 0.012 17 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.004 0.002 18 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 LYS 0.004 0.002 18 0 "[ . 1 . 2]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.039 0.012 17 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 10 ASN H 1 27 VAL O 2.200 . 2.700 1.951 1.860 2.048 . 0 0 "[ . 1 . 2]" 1
2 1 10 ASN N 1 27 VAL O 3.200 . 3.700 2.919 2.846 3.029 . 0 0 "[ . 1 . 2]" 1
3 1 8 GLN O 1 11 GLU H 2.200 . 2.700 2.206 2.091 2.226 . 0 0 "[ . 1 . 2]" 1
4 1 8 GLN O 1 11 GLU N 3.200 . 3.700 3.020 2.947 3.048 . 0 0 "[ . 1 . 2]" 1
5 1 13 VAL H 1 25 ALA O 2.200 . 2.700 1.897 1.830 1.952 . 0 0 "[ . 1 . 2]" 1
6 1 13 VAL N 1 25 ALA O 3.200 . 3.700 2.831 2.773 2.863 . 0 0 "[ . 1 . 2]" 1
7 1 14 LEU H 1 54 LYS O 2.200 . 2.700 1.830 1.788 1.919 0.012 17 0 "[ . 1 . 2]" 1
8 1 14 LEU N 1 54 LYS O 3.200 . 3.700 2.839 2.788 2.932 . 0 0 "[ . 1 . 2]" 1
9 1 15 ALA H 1 23 TYR O 2.200 . 2.700 1.898 1.848 1.948 . 0 0 "[ . 1 . 2]" 1
10 1 15 ALA N 1 23 TYR O 3.200 . 3.700 2.903 2.853 2.952 . 0 0 "[ . 1 . 2]" 1
11 1 17 TRP H 1 21 ARG O 2.200 . 2.700 2.008 1.940 2.118 . 0 0 "[ . 1 . 2]" 1
12 1 17 TRP N 1 21 ARG O 3.200 . 3.700 2.973 2.935 3.035 . 0 0 "[ . 1 . 2]" 1
13 1 17 TRP O 1 20 SER H 2.200 . 2.700 2.163 1.877 2.230 . 0 0 "[ . 1 . 2]" 1
14 1 17 TRP O 1 20 SER N 3.200 . 3.700 3.061 2.832 3.142 . 0 0 "[ . 1 . 2]" 1
15 1 15 ALA O 1 23 TYR H 2.200 . 2.700 2.067 1.983 2.138 . 0 0 "[ . 1 . 2]" 1
16 1 15 ALA O 1 23 TYR N 3.200 . 3.700 2.981 2.906 3.060 . 0 0 "[ . 1 . 2]" 1
17 1 13 VAL O 1 25 ALA H 2.200 . 2.700 1.961 1.901 2.136 . 0 0 "[ . 1 . 2]" 1
18 1 13 VAL O 1 25 ALA N 3.200 . 3.700 2.893 2.834 3.067 . 0 0 "[ . 1 . 2]" 1
19 1 26 LYS H 1 39 LYS O 2.200 . 2.700 1.843 1.798 1.914 0.002 12 0 "[ . 1 . 2]" 1
20 1 26 LYS N 1 39 LYS O 3.200 . 3.700 2.851 2.812 2.928 . 0 0 "[ . 1 . 2]" 1
21 1 11 GLU O 1 27 VAL H 2.200 . 2.700 1.880 1.839 1.942 . 0 0 "[ . 1 . 2]" 1
22 1 11 GLU O 1 27 VAL N 3.200 . 3.700 2.889 2.850 2.953 . 0 0 "[ . 1 . 2]" 1
23 1 28 THR H 1 37 THR O 2.200 . 2.700 1.901 1.865 1.941 . 0 0 "[ . 1 . 2]" 1
24 1 28 THR N 1 37 THR O 3.200 . 3.700 2.904 2.874 2.951 . 0 0 "[ . 1 . 2]" 1
25 1 29 ALA H 1 37 THR O 2.200 . 2.700 2.115 2.061 2.172 . 0 0 "[ . 1 . 2]" 1
26 1 29 ALA N 1 37 THR O 3.200 . 3.700 3.119 3.068 3.180 . 0 0 "[ . 1 . 2]" 1
27 1 31 ASN H 1 35 THR O 2.200 . 2.700 1.961 1.904 2.066 . 0 0 "[ . 1 . 2]" 1
28 1 31 ASN N 1 35 THR O 3.200 . 3.700 2.898 2.869 2.948 . 0 0 "[ . 1 . 2]" 1
29 1 31 ASN O 1 34 GLY H 2.200 . 2.700 1.956 1.927 2.018 . 0 0 "[ . 1 . 2]" 1
30 1 31 ASN O 1 34 GLY N 3.200 . 3.700 2.941 2.915 3.012 . 0 0 "[ . 1 . 2]" 1
31 1 36 TYR H 1 48 VAL O 2.200 . 2.700 1.847 1.817 1.862 . 0 0 "[ . 1 . 2]" 1
32 1 36 TYR N 1 48 VAL O 3.200 . 3.700 2.799 2.777 2.824 . 0 0 "[ . 1 . 2]" 1
33 1 29 ALA O 1 37 THR H 2.200 . 2.700 1.912 1.855 1.940 . 0 0 "[ . 1 . 2]" 1
34 1 29 ALA O 1 37 THR N 3.200 . 3.700 2.885 2.840 2.923 . 0 0 "[ . 1 . 2]" 1
35 1 38 VAL H 1 46 GLN O 2.200 . 2.700 2.097 2.040 2.160 . 0 0 "[ . 1 . 2]" 1
36 1 38 VAL N 1 46 GLN O 3.200 . 3.700 3.077 3.028 3.139 . 0 0 "[ . 1 . 2]" 1
37 1 26 LYS O 1 39 LYS H 2.200 . 2.700 1.836 1.798 1.886 0.002 18 0 "[ . 1 . 2]" 1
38 1 26 LYS O 1 39 LYS N 3.200 . 3.700 2.841 2.808 2.887 . 0 0 "[ . 1 . 2]" 1
39 1 40 PHE H 1 44 VAL O 2.200 . 2.700 1.846 1.828 1.874 . 0 0 "[ . 1 . 2]" 1
40 1 40 PHE N 1 44 VAL O 3.200 . 3.700 2.843 2.813 2.878 . 0 0 "[ . 1 . 2]" 1
41 1 40 PHE O 1 43 GLY H 2.200 . 2.700 1.995 1.936 2.072 . 0 0 "[ . 1 . 2]" 1
42 1 40 PHE O 1 43 GLY N 3.200 . 3.700 2.953 2.890 3.004 . 0 0 "[ . 1 . 2]" 1
43 1 38 VAL O 1 46 GLN H 2.200 . 2.700 2.135 2.061 2.228 . 0 0 "[ . 1 . 2]" 1
44 1 38 VAL O 1 46 GLN N 3.200 . 3.700 3.104 3.038 3.189 . 0 0 "[ . 1 . 2]" 1
45 1 36 TYR O 1 48 VAL H 2.200 . 2.700 1.840 1.823 1.871 . 0 0 "[ . 1 . 2]" 1
46 1 36 TYR O 1 48 VAL N 3.200 . 3.700 2.840 2.819 2.870 . 0 0 "[ . 1 . 2]" 1
47 1 34 GLY O 1 50 HIS H 2.200 . 2.700 2.015 1.949 2.202 . 0 0 "[ . 1 . 2]" 1
48 1 34 GLY O 1 50 HIS N 3.200 . 3.700 2.946 2.882 3.090 . 0 0 "[ . 1 . 2]" 1
49 1 49 LYS O 1 52 HIS H 2.200 . 2.700 1.934 1.907 1.998 . 0 0 "[ . 1 . 2]" 1
50 1 49 LYS O 1 52 HIS N 3.200 . 3.700 2.889 2.856 2.954 . 0 0 "[ . 1 . 2]" 1
51 1 14 LEU O 1 54 LYS H 2.200 . 2.700 1.932 1.893 1.998 . 0 0 "[ . 1 . 2]" 1
52 1 14 LEU O 1 54 LYS N 3.200 . 3.700 2.924 2.894 2.985 . 0 0 "[ . 1 . 2]" 1
53 1 6 GLU O 1 8 GLN QE 2.200 . 2.700 2.045 1.789 2.237 0.011 12 0 "[ . 1 . 2]" 1
54 1 15 ALA H 1 40 PHE QE 5.050 . 5.550 3.678 3.463 3.861 . 0 0 "[ . 1 . 2]" 1
55 1 23 TYR H 1 41 TYR HE2 7.500 . 8.000 7.542 7.504 7.599 . 0 0 "[ . 1 . 2]" 1
56 1 41 TYR HE2 1 42 ASP QB 8.420 . 8.920 7.460 7.317 7.514 . 0 0 "[ . 1 . 2]" 1
57 1 8 GLN HA 1 9 ILE QG 5.050 . 5.550 4.025 3.910 4.138 . 0 0 "[ . 1 . 2]" 1
58 1 8 GLN HA 1 30 VAL QG 6.070 . 6.570 3.698 3.155 4.152 . 0 0 "[ . 1 . 2]" 1
59 1 23 TYR QB 1 24 PRO QD 4.410 . 4.910 2.191 2.097 2.283 . 0 0 "[ . 1 . 2]" 1
60 1 23 TYR QB 1 24 PRO QG 5.670 . 6.170 3.672 3.509 3.754 . 0 0 "[ . 1 . 2]" 1
61 1 23 TYR QD 1 24 PRO QD 5.670 . 6.170 2.878 2.662 3.160 . 0 0 "[ . 1 . 2]" 1
62 1 27 VAL HA 1 30 VAL QG 7.410 . 7.910 4.526 4.448 4.580 . 0 0 "[ . 1 . 2]" 1
63 1 36 TYR QB 1 37 THR HB 8.420 . 8.920 5.418 5.348 5.831 . 0 0 "[ . 1 . 2]" 1
64 1 17 TRP HE3 1 19 ASP HA 4.500 . 5.000 4.618 4.515 4.663 . 0 0 "[ . 1 . 2]" 1
65 1 17 TRP HE3 1 19 ASP QB 3.140 . 3.640 2.051 2.006 2.149 . 0 0 "[ . 1 . 2]" 1
66 1 17 TRP HD1 1 18 SER QB 5.050 . 5.550 4.487 4.313 4.520 . 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 120
_Distance_constraint_stats_list.Viol_count 0
_Distance_constraint_stats_list.Viol_total 0.000
_Distance_constraint_stats_list.Viol_max 0.000
_Distance_constraint_stats_list.Viol_rms 0.0000
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0000
_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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 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 17 TRP HD1 1 44 VAL QG 7.410 . 7.910 3.838 3.407 4.300 . 0 0 "[ . 1 . 2]" 2
2 1 17 TRP HD1 1 19 ASP QB 6.170 . 6.670 5.518 5.502 5.540 . 0 0 "[ . 1 . 2]" 2
3 1 17 TRP HA 1 17 TRP HD1 4.500 . 5.000 2.350 2.228 2.411 . 0 0 "[ . 1 . 2]" 2
4 1 17 TRP HZ2 1 44 VAL QG 9.340 . 9.840 3.470 3.124 3.926 . 0 0 "[ . 1 . 2]" 2
5 1 40 PHE QE 1 46 GLN QB 6.170 . 6.670 4.099 3.851 4.492 . 0 0 "[ . 1 . 2]" 2
6 1 17 TRP HZ2 1 42 ASP QB 7.780 . 8.280 4.270 3.415 5.019 . 0 0 "[ . 1 . 2]" 2
7 1 17 TRP QB 1 40 PHE QE 6.170 . 6.670 2.940 2.502 3.192 . 0 0 "[ . 1 . 2]" 2
8 1 17 TRP HZ2 1 18 SER QB 8.420 . 8.920 5.675 5.320 5.909 . 0 0 "[ . 1 . 2]" 2
9 1 7 PHE HD1 1 13 VAL QG 6.070 . 6.570 4.029 3.654 4.486 . 0 0 "[ . 1 . 2]" 2
10 1 7 PHE HD1 1 27 VAL QG 7.410 . 7.910 5.110 4.813 5.343 . 0 0 "[ . 1 . 2]" 2
11 1 7 PHE HD1 1 55 ALA MB 6.610 . 7.110 4.302 3.731 5.012 . 0 0 "[ . 1 . 2]" 2
12 1 6 GLU HA 1 7 PHE HD1 7.500 . 8.000 5.810 5.207 6.234 . 0 0 "[ . 1 . 2]" 2
13 1 7 PHE HD1 1 8 GLN HA 6.170 . 6.670 4.291 3.778 4.894 . 0 0 "[ . 1 . 2]" 2
14 1 7 PHE HA 1 7 PHE HD1 3.500 . 4.000 2.750 2.516 3.030 . 0 0 "[ . 1 . 2]" 2
15 1 7 PHE H 1 7 PHE HD1 4.500 . 5.000 3.902 2.963 4.671 . 0 0 "[ . 1 . 2]" 2
16 1 6 GLU H 1 7 PHE HD1 7.500 . 8.000 5.074 4.592 5.833 . 0 0 "[ . 1 . 2]" 2
17 1 7 PHE HD1 1 8 GLN H 5.500 . 6.000 4.893 4.428 5.493 . 0 0 "[ . 1 . 2]" 2
18 1 7 PHE HD2 1 62 ILE MG 6.610 . 7.110 3.704 2.386 4.482 . 0 0 "[ . 1 . 2]" 2
19 1 7 PHE HD2 1 55 ALA MB 6.610 . 7.110 2.520 2.337 2.674 . 0 0 "[ . 1 . 2]" 2
20 1 6 GLU QB 1 7 PHE HD2 7.410 . 7.910 4.963 4.105 5.492 . 0 0 "[ . 1 . 2]" 2
21 1 6 GLU HA 1 7 PHE HD2 5.500 . 6.000 3.614 3.048 4.185 . 0 0 "[ . 1 . 2]" 2
22 1 5 SER HA 1 7 PHE HD2 6.170 . 6.670 4.095 3.551 4.597 . 0 0 "[ . 1 . 2]" 2
23 1 7 PHE HD2 1 55 ALA H 5.500 . 6.000 5.485 5.306 5.576 . 0 0 "[ . 1 . 2]" 2
24 1 7 PHE HD2 1 8 GLN H 7.500 . 8.000 5.965 5.481 6.318 . 0 0 "[ . 1 . 2]" 2
25 1 7 PHE HD2 1 8 GLN HA 7.500 . 8.000 6.868 6.625 7.245 . 0 0 "[ . 1 . 2]" 2
26 1 25 ALA MB 1 41 TYR QE 7.410 . 7.910 4.474 4.396 4.744 . 0 0 "[ . 1 . 2]" 2
27 1 41 TYR HE2 1 76 LEU QD 7.410 . 7.910 5.087 4.691 5.546 . 0 0 "[ . 1 . 2]" 2
28 1 26 LYS QB 1 41 TYR HE1 6.930 . 7.430 2.896 2.489 4.047 . 0 0 "[ . 1 . 2]" 2
29 1 24 PRO QG 1 41 TYR HE2 5.050 . 5.550 2.263 2.162 2.416 . 0 0 "[ . 1 . 2]" 2
30 1 24 PRO QB 1 41 TYR HE2 5.050 . 5.550 2.237 2.204 2.273 . 0 0 "[ . 1 . 2]" 2
31 1 23 TYR QB 1 41 TYR HE2 6.930 . 7.430 5.084 4.896 5.219 . 0 0 "[ . 1 . 2]" 2
32 1 24 PRO QD 1 41 TYR HE2 5.050 . 5.550 4.127 4.025 4.248 . 0 0 "[ . 1 . 2]" 2
33 1 41 TYR HE2 1 76 LEU HA 6.170 . 6.670 5.178 3.579 5.568 . 0 0 "[ . 1 . 2]" 2
34 1 12 GLN HA 1 41 TYR QE 5.670 . 6.170 3.321 3.185 3.646 . 0 0 "[ . 1 . 2]" 2
35 1 23 TYR HA 1 41 TYR HE2 7.500 . 8.000 6.547 6.459 6.670 . 0 0 "[ . 1 . 2]" 2
36 1 12 GLN QE 1 41 TYR QE 6.930 . 7.430 4.579 3.272 5.589 . 0 0 "[ . 1 . 2]" 2
37 1 41 TYR H 1 41 TYR QE 5.050 . 5.550 3.928 3.821 4.043 . 0 0 "[ . 1 . 2]" 2
38 1 36 TYR QD 1 53 VAL QG 5.940 . 6.440 2.669 2.483 2.784 . 0 0 "[ . 1 . 2]" 2
39 1 27 VAL QG 1 36 TYR HD2 7.280 . 7.780 3.727 3.108 4.002 . 0 0 "[ . 1 . 2]" 2
40 1 9 ILE QG 1 36 TYR QD 8.250 . 8.750 3.767 3.539 3.936 . 0 0 "[ . 1 . 2]" 2
41 1 36 TYR HD2 1 53 VAL HB . . 5.000 3.042 2.809 3.493 . 0 0 "[ . 1 . 2]" 2
42 1 13 VAL HB 1 36 TYR QD 7.410 . 7.910 4.874 4.723 5.290 . 0 0 "[ . 1 . 2]" 2
43 1 36 TYR HD2 1 64 GLY QA 5.670 . 6.170 4.796 3.941 5.114 . 0 0 "[ . 1 . 2]" 2
44 1 38 VAL QG 1 40 PHE QD 8.320 . 8.820 3.878 3.334 4.188 . 0 0 "[ . 1 . 2]" 2
45 1 25 ALA MB 1 40 PHE QD 5.400 . 5.900 2.657 2.474 2.911 . 0 0 "[ . 1 . 2]" 2
46 1 40 PHE QD 1 44 VAL QG . . 6.570 2.805 2.598 3.486 . 0 0 "[ . 1 . 2]" 2
47 1 15 ALA MB 1 40 PHE QD . . 6.570 4.190 3.991 4.398 . 0 0 "[ . 1 . 2]" 2
48 1 24 PRO QG 1 40 PHE QD 7.780 . 8.280 4.416 4.238 4.595 . 0 0 "[ . 1 . 2]" 2
49 1 24 PRO QB 1 40 PHE QD 7.780 . 8.280 4.567 4.406 4.730 . 0 0 "[ . 1 . 2]" 2
50 1 40 PHE HA 1 41 TYR QD 5.050 . 5.550 4.224 4.108 4.362 . 0 0 "[ . 1 . 2]" 2
51 1 23 TYR QD 1 40 PHE QD 7.410 . 7.910 4.468 4.351 4.568 . 0 0 "[ . 1 . 2]" 2
52 1 41 TYR H 1 41 TYR QD 3.930 . 4.430 2.579 2.363 2.753 . 0 0 "[ . 1 . 2]" 2
53 1 15 ALA H 1 40 PHE QD 6.170 . 6.670 5.417 5.233 5.531 . 0 0 "[ . 1 . 2]" 2
54 1 14 LEU QD 1 22 PHE HD1 8.640 . 9.140 4.129 3.736 4.835 . 0 0 "[ . 1 . 2]" 2
55 1 14 LEU QB 1 22 PHE HD1 5.050 . 5.550 3.214 2.693 4.245 . 0 0 "[ . 1 . 2]" 2
56 1 21 ARG HA 1 22 PHE HD1 5.500 . 6.000 4.988 3.893 5.521 . 0 0 "[ . 1 . 2]" 2
57 1 14 LEU HA 1 22 PHE HD1 6.610 . 7.110 3.599 3.387 4.008 . 0 0 "[ . 1 . 2]" 2
58 1 15 ALA HA 1 22 PHE HD1 . . 5.000 2.970 2.730 3.444 . 0 0 "[ . 1 . 2]" 2
59 1 22 PHE H 1 22 PHE HD1 4.500 . 5.000 3.564 3.181 3.842 . 0 0 "[ . 1 . 2]" 2
60 1 22 PHE HD1 1 23 TYR H 5.500 . 6.000 3.696 3.552 3.905 . 0 0 "[ . 1 . 2]" 2
61 1 14 LEU QD 1 56 PHE HD1 . . 6.570 2.574 2.371 2.765 . 0 0 "[ . 1 . 2]" 2
62 1 14 LEU QB 1 56 PHE HD1 5.880 . 6.380 4.291 4.200 4.427 . 0 0 "[ . 1 . 2]" 2
63 1 12 GLN QB 1 56 PHE HD1 7.190 . 7.690 3.875 3.501 4.615 . 0 0 "[ . 1 . 2]" 2
64 1 24 PRO QB 1 56 PHE HD1 6.170 . 6.670 3.428 3.030 4.505 . 0 0 "[ . 1 . 2]" 2
65 1 56 PHE HA 1 56 PHE HD1 4.500 . 5.000 2.371 2.125 2.636 . 0 0 "[ . 1 . 2]" 2
66 1 14 LEU H 1 56 PHE HD1 5.500 . 6.000 4.688 4.432 5.217 . 0 0 "[ . 1 . 2]" 2
67 1 14 LEU QD 1 56 PHE HE1 . . 6.570 2.474 2.377 2.535 . 0 0 "[ . 1 . 2]" 2
68 1 14 LEU QB 1 56 PHE HE1 6.170 . 6.670 5.508 5.444 5.530 . 0 0 "[ . 1 . 2]" 2
69 1 12 GLN QB 1 56 PHE HE1 6.930 . 7.430 3.886 3.546 4.551 . 0 0 "[ . 1 . 2]" 2
70 1 22 PHE QB 1 56 PHE HE1 8.420 . 8.920 6.273 6.008 6.579 . 0 0 "[ . 1 . 2]" 2
71 1 22 PHE HZ 1 53 VAL QG 7.410 . 7.910 5.577 5.548 5.627 . 0 0 "[ . 1 . 2]" 2
72 1 22 PHE HZ 1 54 LYS QG 5.670 . 6.170 3.811 3.623 4.175 . 0 0 "[ . 1 . 2]" 2
73 1 22 PHE HZ 1 54 LYS QD 6.170 . 6.670 3.767 3.493 4.151 . 0 0 "[ . 1 . 2]" 2
74 1 22 PHE HZ 1 54 LYS QE 6.170 . 6.670 3.479 3.141 4.187 . 0 0 "[ . 1 . 2]" 2
75 1 16 SER QB 1 22 PHE HZ 6.170 . 6.670 5.502 5.353 5.565 . 0 0 "[ . 1 . 2]" 2
76 1 22 PHE HZ 1 52 HIS HA 4.500 . 5.000 4.034 3.853 4.228 . 0 0 "[ . 1 . 2]" 2
77 1 16 SER H 1 22 PHE HZ 5.500 . 6.000 5.528 5.458 5.561 . 0 0 "[ . 1 . 2]" 2
78 1 7 PHE HZ 1 55 ALA MB 6.610 . 7.110 3.907 3.588 4.035 . 0 0 "[ . 1 . 2]" 2
79 1 7 PHE HZ 1 55 ALA H 7.500 . 8.000 7.502 7.214 7.584 . 0 0 "[ . 1 . 2]" 2
80 1 21 ARG QB 1 23 TYR HE1 6.170 . 6.670 5.420 4.844 5.561 . 0 0 "[ . 1 . 2]" 2
81 1 19 ASP QB 1 23 TYR QE 6.930 . 7.430 2.347 2.167 2.600 . 0 0 "[ . 1 . 2]" 2
82 1 17 TRP QB 1 23 TYR HE1 5.670 . 6.170 2.194 2.066 2.321 . 0 0 "[ . 1 . 2]" 2
83 1 17 TRP QB 1 23 TYR HE1 5.050 . 5.550 2.647 2.544 2.707 . 0 0 "[ . 1 . 2]" 2
84 1 17 TRP HA 1 23 TYR HE1 5.500 . 6.000 5.557 5.490 5.606 . 0 0 "[ . 1 . 2]" 2
85 1 17 TRP HZ3 1 23 TYR QE 5.670 . 6.170 3.781 3.690 3.894 . 0 0 "[ . 1 . 2]" 2
86 1 17 TRP HH2 1 23 TYR QE 6.170 . 6.670 5.546 5.503 5.592 . 0 0 "[ . 1 . 2]" 2
87 1 19 ASP H 1 23 TYR QE 6.170 . 6.670 4.180 4.080 4.363 . 0 0 "[ . 1 . 2]" 2
88 1 20 SER H 1 23 TYR HE1 6.170 . 6.670 2.858 2.648 4.263 . 0 0 "[ . 1 . 2]" 2
89 1 17 TRP HZ3 1 19 ASP QB . . 6.670 2.877 2.793 3.064 . 0 0 "[ . 1 . 2]" 2
90 1 14 LEU QB 1 36 TYR QE 11.350 . 11.850 7.019 6.646 7.226 . 0 0 "[ . 1 . 2]" 2
91 1 36 TYR QE 1 50 HIS HA 8.420 . 8.920 3.282 2.743 4.485 . 0 0 "[ . 1 . 2]" 2
92 1 36 TYR HE2 1 54 LYS HA 5.500 . 6.000 4.343 4.004 4.534 . 0 0 "[ . 1 . 2]" 2
93 1 51 ILE MG 1 52 HIS HD2 6.610 . 7.110 5.320 5.271 5.453 . 0 0 "[ . 1 . 2]" 2
94 1 49 LYS QB 1 52 HIS HD2 5.050 . 5.550 4.541 4.525 4.553 . 0 0 "[ . 1 . 2]" 2
95 1 16 SER QB 1 52 HIS HD2 6.170 . 6.670 3.784 3.643 3.928 . 0 0 "[ . 1 . 2]" 2
96 1 52 HIS HA 1 52 HIS HD2 3.500 . 4.000 2.530 2.443 2.591 . 0 0 "[ . 1 . 2]" 2
97 1 22 PHE HZ 1 52 HIS HD2 7.500 . 8.000 5.907 5.630 6.210 . 0 0 "[ . 1 . 2]" 2
98 1 52 HIS H 1 52 HIS HD2 5.500 . 6.000 4.025 3.957 4.065 . 0 0 "[ . 1 . 2]" 2
99 1 49 LYS H 1 52 HIS HD2 5.500 . 6.000 5.003 4.975 5.108 . 0 0 "[ . 1 . 2]" 2
100 1 50 HIS HD2 1 54 LYS QG 6.930 . 7.430 5.984 5.365 6.253 . 0 0 "[ . 1 . 2]" 2
101 1 50 HIS HD2 1 53 VAL HB 5.500 . 6.000 4.631 4.398 4.883 . 0 0 "[ . 1 . 2]" 2
102 1 50 HIS HA 1 50 HIS HD2 3.500 . 4.000 2.564 2.504 2.624 . 0 0 "[ . 1 . 2]" 2
103 1 50 HIS HD2 1 54 LYS HA 4.500 . 5.000 4.135 3.616 4.481 . 0 0 "[ . 1 . 2]" 2
104 1 51 ILE MD 1 52 HIS HE1 5.400 . 5.900 3.608 3.550 3.710 . 0 0 "[ . 1 . 2]" 2
105 1 48 VAL QG 1 52 HIS HE1 7.410 . 7.910 4.130 3.962 4.392 . 0 0 "[ . 1 . 2]" 2
106 1 49 LYS QG 1 52 HIS HE1 6.170 . 6.670 2.875 2.758 2.988 . 0 0 "[ . 1 . 2]" 2
107 1 49 LYS QD 1 52 HIS HE1 5.670 . 6.170 2.786 2.708 2.889 . 0 0 "[ . 1 . 2]" 2
108 1 49 LYS QB 1 52 HIS HE1 6.170 . 6.670 3.150 3.025 3.245 . 0 0 "[ . 1 . 2]" 2
109 1 58 LYS QE 1 72 HIS HE1 6.930 . 7.430 5.473 3.130 6.207 . 0 0 "[ . 1 . 2]" 2
110 1 52 HIS HE1 1 53 VAL H 7.500 . 8.000 7.546 7.471 7.597 . 0 0 "[ . 1 . 2]" 2
111 1 50 HIS HE1 1 61 ASN QD 6.170 . 6.670 5.155 4.683 5.538 . 0 0 "[ . 1 . 2]" 2
112 1 50 HIS HE1 1 54 LYS HA 7.500 . 8.000 7.450 7.108 7.576 . 0 0 "[ . 1 . 2]" 2
113 1 25 ALA MB 1 41 TYR QD 7.410 . 7.910 5.077 4.903 5.150 . 0 0 "[ . 1 . 2]" 2
114 1 12 GLN QG 1 41 TYR QD 6.360 . 6.860 4.307 4.243 4.378 . 0 0 "[ . 1 . 2]" 2
115 1 24 PRO QB 1 41 TYR HD2 5.050 . 5.550 4.525 4.463 4.548 . 0 0 "[ . 1 . 2]" 2
116 1 41 TYR QD 1 42 ASP H 5.050 . 5.550 4.188 4.081 4.270 . 0 0 "[ . 1 . 2]" 2
117 1 50 HIS HD2 1 51 ILE MG 6.490 . 6.990 4.507 4.430 4.530 . 0 0 "[ . 1 . 2]" 2
118 1 24 PRO QG 1 41 TYR HD2 5.050 . 5.550 3.584 3.452 3.701 . 0 0 "[ . 1 . 2]" 2
119 1 41 TYR HD2 1 42 ASP QB 6.170 . 6.670 5.458 5.298 5.512 . 0 0 "[ . 1 . 2]" 2
120 1 24 PRO QD 1 41 TYR HD2 6.170 . 6.670 5.082 4.955 5.274 . 0 0 "[ . 1 . 2]" 2
stop_
save_
save_distance_constraint_statistics_3
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 3
_Distance_constraint_stats_list.Constraint_count 1097
_Distance_constraint_stats_list.Viol_count 69
_Distance_constraint_stats_list.Viol_total 150.530
_Distance_constraint_stats_list.Viol_max 0.148
_Distance_constraint_stats_list.Viol_rms 0.0062
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.1091
_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 5 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.780 0.141 20 0 "[ . 1 . 2]"
1 9 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 GLU 0.780 0.141 20 0 "[ . 1 . 2]"
1 12 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 VAL 6.682 0.148 9 0 "[ . 1 . 2]"
1 14 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 ALA 2.602 0.148 9 0 "[ . 1 . 2]"
1 26 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 VAL 6.682 0.148 9 0 "[ . 1 . 2]"
1 28 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 VAL 2.222 0.123 9 0 "[ . 1 . 2]"
1 39 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 VAL 0.064 0.064 16 0 "[ . 1 . 2]"
1 64 GLY 0.064 0.064 16 0 "[ . 1 . 2]"
1 65 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 75 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 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 7 PHE HA 1 8 GLN H 3.500 . 4.000 2.427 2.160 2.961 . 0 0 "[ . 1 . 2]" 3
2 1 7 PHE HA 1 8 GLN HA 4.500 . 5.000 4.509 4.344 4.602 . 0 0 "[ . 1 . 2]" 3
3 1 7 PHE HA 1 8 GLN QG 6.930 . 7.430 2.337 2.153 2.815 . 0 0 "[ . 1 . 2]" 3
4 1 7 PHE HA 1 12 GLN QB 6.170 . 6.670 4.986 4.036 5.536 . 0 0 "[ . 1 . 2]" 3
5 1 6 GLU QB 1 7 PHE HA . . 6.670 4.746 4.412 5.204 . 0 0 "[ . 1 . 2]" 3
6 1 7 PHE HA 1 11 GLU QB 6.170 . 6.670 2.680 2.306 2.945 . 0 0 "[ . 1 . 2]" 3
7 1 7 PHE QB 1 13 VAL QG . . 7.310 2.623 2.350 2.832 . 0 0 "[ . 1 . 2]" 3
8 1 7 PHE QB 1 27 VAL QG 6.810 . 7.310 3.649 3.416 3.900 . 0 0 "[ . 1 . 2]" 3
9 1 7 PHE QB 1 11 GLU QG 6.930 . 7.430 3.673 2.842 4.391 . 0 0 "[ . 1 . 2]" 3
10 1 7 PHE QB 1 8 GLN H 5.050 . 5.550 3.589 3.035 3.994 . 0 0 "[ . 1 . 2]" 3
11 1 7 PHE QB 1 11 GLU H . . 7.430 4.698 3.751 5.189 . 0 0 "[ . 1 . 2]" 3
12 1 6 GLU QB 1 7 PHE QB . . 8.280 5.056 4.753 5.492 . 0 0 "[ . 1 . 2]" 3
13 1 7 PHE QB 1 27 VAL QG 8.900 . 9.400 3.461 2.874 3.721 . 0 0 "[ . 1 . 2]" 3
14 1 7 PHE QB 1 63 VAL QG 8.320 . 8.820 3.160 2.539 3.512 . 0 0 "[ . 1 . 2]" 3
15 1 7 PHE QB 1 8 GLN QG 8.320 . 8.820 3.521 2.823 4.088 . 0 0 "[ . 1 . 2]" 3
16 1 6 GLU HA 1 7 PHE QB 6.170 . 6.670 4.419 4.258 4.575 . 0 0 "[ . 1 . 2]" 3
17 1 7 PHE QB 1 8 GLN HA . . 5.550 4.359 4.182 4.519 . 0 0 "[ . 1 . 2]" 3
18 1 8 GLN HA 1 10 ASN H 7.500 . 8.000 6.256 6.079 6.313 . 0 0 "[ . 1 . 2]" 3
19 1 8 GLN HA 1 12 GLN H 7.500 . 8.000 7.557 7.507 7.611 . 0 0 "[ . 1 . 2]" 3
20 1 8 GLN HA 1 9 ILE H 3.500 . 4.000 2.725 2.695 2.768 . 0 0 "[ . 1 . 2]" 3
21 1 8 GLN HA 1 11 GLU H 6.170 . 6.670 5.063 4.915 5.161 . 0 0 "[ . 1 . 2]" 3
22 1 8 GLN HA 1 36 TYR HH 5.500 . 6.000 5.553 5.457 5.604 . 0 0 "[ . 1 . 2]" 3
23 1 8 GLN HA 1 11 GLU HA 7.500 . 8.000 7.263 7.110 7.358 . 0 0 "[ . 1 . 2]" 3
24 1 8 GLN HA 1 27 VAL HA 7.500 . 8.000 7.299 6.558 7.527 . 0 0 "[ . 1 . 2]" 3
25 1 8 GLN HA 1 9 ILE HA 5.500 . 6.000 4.466 4.337 4.512 . 0 0 "[ . 1 . 2]" 3
26 1 8 GLN HA 1 11 GLU QB 5.670 . 6.170 3.784 2.975 4.172 . 0 0 "[ . 1 . 2]" 3
27 1 8 GLN HA 1 9 ILE HB 5.500 . 6.000 5.218 5.167 5.312 . 0 0 "[ . 1 . 2]" 3
28 1 8 GLN HA 1 27 VAL QG 7.410 . 7.910 3.401 2.790 3.608 . 0 0 "[ . 1 . 2]" 3
29 1 8 GLN HA 1 10 ASN QB 8.420 . 8.920 7.165 7.086 7.247 . 0 0 "[ . 1 . 2]" 3
30 1 8 GLN QB 1 9 ILE H 5.050 . 5.550 2.025 1.940 2.097 . 0 0 "[ . 1 . 2]" 3
31 1 8 GLN QB 1 11 GLU H 6.170 . 6.670 4.654 4.273 5.067 . 0 0 "[ . 1 . 2]" 3
32 1 8 GLN QG 1 30 VAL QG 12.590 . 13.090 3.116 2.042 4.219 . 0 0 "[ . 1 . 2]" 3
33 1 8 GLN QG 1 63 VAL QG 9.340 . 9.840 3.157 2.048 4.344 . 0 0 "[ . 1 . 2]" 3
34 1 8 GLN QG 1 63 VAL HB 6.930 . 7.430 4.665 2.822 6.208 . 0 0 "[ . 1 . 2]" 3
35 1 7 PHE QB 1 8 GLN QG 7.140 . 7.640 4.830 4.064 5.412 . 0 0 "[ . 1 . 2]" 3
36 1 6 GLU QB 1 8 GLN QG 8.180 . 8.680 3.629 2.137 4.476 . 0 0 "[ . 1 . 2]" 3
37 1 8 GLN QG 1 9 ILE HA 9.450 . 9.950 6.080 5.735 6.264 . 0 0 "[ . 1 . 2]" 3
38 1 7 PHE HA 1 8 GLN QG 5.670 . 6.170 4.745 4.216 5.201 . 0 0 "[ . 1 . 2]" 3
39 1 8 GLN QG 1 11 GLU H 8.320 . 8.820 5.822 5.107 6.152 . 0 0 "[ . 1 . 2]" 3
40 1 8 GLN QG 1 9 ILE H 6.810 . 7.310 3.847 3.524 4.158 . 0 0 "[ . 1 . 2]" 3
41 1 8 GLN H 1 8 GLN QG 4.410 . 4.910 3.296 2.332 3.940 . 0 0 "[ . 1 . 2]" 3
42 1 9 ILE HA 1 27 VAL QG . . 6.570 2.159 2.088 2.320 . 0 0 "[ . 1 . 2]" 3
43 1 9 ILE HA 1 26 LYS QG 6.930 . 7.430 5.217 4.866 6.133 . 0 0 "[ . 1 . 2]" 3
44 1 9 ILE HA 1 11 GLU QB 6.170 . 6.670 4.818 4.586 4.921 . 0 0 "[ . 1 . 2]" 3
45 1 7 PHE QB 1 9 ILE HA 8.420 . 8.920 6.879 6.468 7.355 . 0 0 "[ . 1 . 2]" 3
46 1 9 ILE HA 1 27 VAL HB 4.500 . 5.000 2.141 2.092 2.188 . 0 0 "[ . 1 . 2]" 3
47 1 9 ILE HA 1 10 ASN QB 6.170 . 6.670 4.703 4.546 4.742 . 0 0 "[ . 1 . 2]" 3
48 1 9 ILE HA 1 10 ASN HA 5.050 . 5.550 4.250 4.222 4.274 . 0 0 "[ . 1 . 2]" 3
49 1 9 ILE HA 1 29 ALA HA 5.500 . 6.000 4.667 4.526 4.831 . 0 0 "[ . 1 . 2]" 3
50 1 8 GLN HA 1 9 ILE HA 6.170 . 6.670 3.847 3.600 3.980 . 0 0 "[ . 1 . 2]" 3
51 1 9 ILE HA 1 26 LYS HA 8.420 . 8.920 5.907 5.709 6.084 . 0 0 "[ . 1 . 2]" 3
52 1 9 ILE HA 1 36 TYR HD1 8.420 . 8.920 6.240 6.063 6.479 . 0 0 "[ . 1 . 2]" 3
53 1 9 ILE HA 1 11 GLU H 4.500 . 5.000 3.355 3.307 3.415 . 0 0 "[ . 1 . 2]" 3
54 1 9 ILE HA 1 27 VAL H 5.500 . 6.000 4.422 4.176 4.610 . 0 0 "[ . 1 . 2]" 3
55 1 9 ILE HA 1 10 ASN H 3.500 . 4.000 2.214 2.173 2.232 . 0 0 "[ . 1 . 2]" 3
56 1 9 ILE HA 1 28 THR H 5.500 . 6.000 4.747 4.522 4.891 . 0 0 "[ . 1 . 2]" 3
57 1 9 ILE HA 1 29 ALA H 5.500 . 6.000 4.971 4.873 5.085 . 0 0 "[ . 1 . 2]" 3
58 1 8 GLN QB 1 9 ILE HA 6.170 . 6.670 4.348 4.282 4.482 . 0 0 "[ . 1 . 2]" 3
59 1 9 ILE HB 1 27 VAL QG 7.410 . 7.910 4.185 4.156 4.240 . 0 0 "[ . 1 . 2]" 3
60 1 8 GLN QB 1 9 ILE HB 6.170 . 6.670 3.747 3.617 3.927 . 0 0 "[ . 1 . 2]" 3
61 1 8 GLN QG 1 9 ILE HB 7.190 . 7.690 4.740 4.618 4.834 . 0 0 "[ . 1 . 2]" 3
62 1 9 ILE HB 1 10 ASN HA 6.170 . 6.670 5.560 5.546 5.573 . 0 0 "[ . 1 . 2]" 3
63 1 8 GLN HA 1 9 ILE HB 6.170 . 6.670 4.827 4.696 4.923 . 0 0 "[ . 1 . 2]" 3
64 1 9 ILE HB 1 11 GLU H 5.500 . 6.000 5.352 5.131 5.444 . 0 0 "[ . 1 . 2]" 3
65 1 9 ILE H 1 9 ILE HB 3.500 . 4.000 2.503 2.474 2.580 . 0 0 "[ . 1 . 2]" 3
66 1 9 ILE HB 1 10 ASN H 5.500 . 6.000 4.037 4.012 4.069 . 0 0 "[ . 1 . 2]" 3
67 1 9 ILE QG 1 10 ASN H 6.170 . 6.670 4.036 3.945 4.124 . 0 0 "[ . 1 . 2]" 3
68 1 9 ILE QG 1 30 VAL H 6.170 . 6.670 3.517 3.303 3.770 . 0 0 "[ . 1 . 2]" 3
69 1 8 GLN HA 1 9 ILE QG . . 7.430 3.715 3.537 3.881 . 0 0 "[ . 1 . 2]" 3
70 1 9 ILE QG 1 29 ALA HA . . 5.550 2.463 2.341 2.687 . 0 0 "[ . 1 . 2]" 3
71 1 9 ILE QG 1 29 ALA H 6.170 . 6.670 3.978 3.824 4.142 . 0 0 "[ . 1 . 2]" 3
72 1 9 ILE QG 1 10 ASN HA 9.450 . 9.950 5.342 5.174 5.437 . 0 0 "[ . 1 . 2]" 3
73 1 8 GLN QG 1 9 ILE QG 8.070 . 8.570 3.775 3.638 3.905 . 0 0 "[ . 1 . 2]" 3
74 1 9 ILE QG 1 29 ALA MB 7.410 . 7.910 4.023 3.910 4.211 . 0 0 "[ . 1 . 2]" 3
75 1 9 ILE MD 1 10 ASN H 6.610 . 7.110 4.947 4.850 5.030 . 0 0 "[ . 1 . 2]" 3
76 1 9 ILE MD 1 30 VAL H 5.400 . 5.900 2.944 2.688 3.248 . 0 0 "[ . 1 . 2]" 3
77 1 9 ILE H 1 9 ILE MD 5.400 . 5.900 3.592 3.526 3.686 . 0 0 "[ . 1 . 2]" 3
78 1 9 ILE MD 1 11 GLU H 9.010 . 9.510 6.484 6.362 6.558 . 0 0 "[ . 1 . 2]" 3
79 1 9 ILE MD 1 29 ALA H 6.610 . 7.110 4.661 4.595 4.781 . 0 0 "[ . 1 . 2]" 3
80 1 9 ILE MD 1 10 ASN QD 7.410 . 7.910 5.092 5.021 5.326 . 0 0 "[ . 1 . 2]" 3
81 1 8 GLN HA 1 9 ILE MD 7.410 . 7.910 4.483 4.306 4.622 . 0 0 "[ . 1 . 2]" 3
82 1 9 ILE MD 1 29 ALA HA 5.400 . 5.900 2.412 2.312 2.538 . 0 0 "[ . 1 . 2]" 3
83 1 9 ILE MD 1 10 ASN HA 7.410 . 7.910 5.481 5.377 5.530 . 0 0 "[ . 1 . 2]" 3
84 1 9 ILE MD 1 30 VAL HB 6.610 . 7.110 3.796 3.384 4.254 . 0 0 "[ . 1 . 2]" 3
85 1 9 ILE MD 1 29 ALA MB 6.490 . 6.990 3.355 3.258 3.506 . 0 0 "[ . 1 . 2]" 3
86 1 9 ILE MD 1 27 VAL QG 8.900 . 9.400 3.619 3.531 3.669 . 0 0 "[ . 1 . 2]" 3
87 1 9 ILE MG 1 10 ASN QB . . 6.570 3.263 2.869 3.385 . 0 0 "[ . 1 . 2]" 3
88 1 9 ILE MG 1 10 ASN HA 6.070 . 6.570 3.535 3.478 3.577 . 0 0 "[ . 1 . 2]" 3
89 1 9 ILE MG 1 29 ALA HA 6.610 . 7.110 3.442 3.255 3.758 . 0 0 "[ . 1 . 2]" 3
90 1 9 ILE MG 1 28 THR HA 5.400 . 5.900 2.604 2.338 2.821 . 0 0 "[ . 1 . 2]" 3
91 1 9 ILE MG 1 10 ASN QD 7.410 . 7.910 2.758 2.701 2.848 . 0 0 "[ . 1 . 2]" 3
92 1 9 ILE MG 1 10 ASN H 5.400 . 5.900 2.392 2.326 2.473 . 0 0 "[ . 1 . 2]" 3
93 1 10 ASN QB 1 11 GLU H 6.170 . 6.670 3.870 3.649 3.933 . 0 0 "[ . 1 . 2]" 3
94 1 8 GLN HA 1 10 ASN QB 9.450 . 9.950 5.475 5.300 5.656 . 0 0 "[ . 1 . 2]" 3
95 1 10 ASN QB 1 11 GLU QG 7.410 . 7.910 5.044 4.732 5.203 . 0 0 "[ . 1 . 2]" 3
96 1 9 ILE HB 1 10 ASN QB 6.170 . 6.670 4.474 4.247 4.562 . 0 0 "[ . 1 . 2]" 3
97 1 10 ASN QB 1 26 LYS QD 7.780 . 8.280 4.370 3.016 5.058 . 0 0 "[ . 1 . 2]" 3
98 1 10 ASN QB 1 26 LYS QG 7.780 . 8.280 4.176 3.867 5.357 . 0 0 "[ . 1 . 2]" 3
99 1 10 ASN QB 1 11 GLU QB 6.930 . 7.430 4.288 4.117 4.422 . 0 0 "[ . 1 . 2]" 3
100 1 10 ASN QB 1 26 LYS QE 8.730 . 9.230 3.419 2.603 5.066 . 0 0 "[ . 1 . 2]" 3
101 1 10 ASN QB 1 12 GLN H 8.420 . 8.920 6.684 6.483 6.791 . 0 0 "[ . 1 . 2]" 3
102 1 60 GLN HA 1 68 GLY H 7.500 . 8.000 5.693 5.110 7.195 . 0 0 "[ . 1 . 2]" 3
103 1 60 GLN HA 1 68 GLY QA 6.930 . 7.430 4.462 3.968 4.759 . 0 0 "[ . 1 . 2]" 3
104 1 9 ILE HA 1 10 ASN HA 4.500 . 5.000 4.304 4.279 4.324 . 0 0 "[ . 1 . 2]" 3
105 1 10 ASN HA 1 26 LYS QE 6.930 . 7.430 2.819 2.232 4.165 . 0 0 "[ . 1 . 2]" 3
106 1 59 ASP QB 1 60 GLN HA 6.930 . 7.430 3.828 3.753 3.938 . 0 0 "[ . 1 . 2]" 3
107 1 10 ASN HA 1 11 GLU QG 6.610 . 7.110 4.241 3.866 4.558 . 0 0 "[ . 1 . 2]" 3
108 1 10 ASN HA 1 26 LYS QB 5.670 . 6.170 4.470 3.077 4.863 . 0 0 "[ . 1 . 2]" 3
109 1 10 ASN HA 1 26 LYS QG 5.670 . 6.170 2.598 2.306 3.694 . 0 0 "[ . 1 . 2]" 3
110 1 9 ILE QG 1 10 ASN HA 7.190 . 7.690 4.382 4.097 4.619 . 0 0 "[ . 1 . 2]" 3
111 1 9 ILE MG 1 10 ASN HA 5.400 . 5.900 3.704 3.611 3.772 . 0 0 "[ . 1 . 2]" 3
112 1 8 GLN H 1 11 GLU HA 5.500 . 6.000 5.043 4.683 5.501 . 0 0 "[ . 1 . 2]" 3
113 1 11 GLU HA 1 12 GLN H 2.800 . 3.300 2.502 2.352 2.655 . 0 0 "[ . 1 . 2]" 3
114 1 10 ASN QB 1 11 GLU HA 6.170 . 6.670 4.514 4.316 4.594 . 0 0 "[ . 1 . 2]" 3
115 1 11 GLU HA 1 27 VAL QG 7.410 . 7.910 4.924 4.766 5.102 . 0 0 "[ . 1 . 2]" 3
116 1 10 ASN H 1 11 GLU QB 6.170 . 6.670 4.824 4.737 4.916 . 0 0 "[ . 1 . 2]" 3
117 1 8 GLN H 1 11 GLU QB 5.050 . 5.550 2.021 1.659 2.510 0.141 20 0 "[ . 1 . 2]" 3
118 1 11 GLU QB 1 12 GLN H . . 5.550 3.227 3.089 3.311 . 0 0 "[ . 1 . 2]" 3
119 1 11 GLU QB 1 27 VAL H 6.170 . 6.670 4.681 4.408 4.832 . 0 0 "[ . 1 . 2]" 3
120 1 7 PHE QB 1 11 GLU QB 6.930 . 7.430 4.012 3.333 4.571 . 0 0 "[ . 1 . 2]" 3
121 1 11 GLU QB 1 12 GLN QB 9.450 . 9.950 4.856 4.619 5.237 . 0 0 "[ . 1 . 2]" 3
122 1 11 GLU QB 1 27 VAL QG 8.320 . 8.820 3.787 3.301 4.000 . 0 0 "[ . 1 . 2]" 3
123 1 11 GLU QB 1 13 VAL QG 8.320 . 8.820 4.417 3.882 4.597 . 0 0 "[ . 1 . 2]" 3
124 1 8 GLN H 1 11 GLU QG 6.170 . 6.670 3.123 2.780 3.839 . 0 0 "[ . 1 . 2]" 3
125 1 11 GLU QG 1 12 GLN H 5.050 . 5.550 2.028 1.844 2.179 . 0 0 "[ . 1 . 2]" 3
126 1 7 PHE HD1 1 11 GLU QG 6.170 . 6.670 2.679 2.151 3.413 . 0 0 "[ . 1 . 2]" 3
127 1 7 PHE HA 1 11 GLU QG 6.170 . 6.670 2.343 2.159 2.828 . 0 0 "[ . 1 . 2]" 3
128 1 8 GLN HA 1 11 GLU QG 6.930 . 7.430 5.068 4.949 5.284 . 0 0 "[ . 1 . 2]" 3
129 1 8 GLN QB 1 11 GLU QG 7.780 . 8.280 3.272 3.003 3.632 . 0 0 "[ . 1 . 2]" 3
130 1 11 GLU QG 1 12 GLN QB 6.930 . 7.430 3.352 3.042 3.915 . 0 0 "[ . 1 . 2]" 3
131 1 11 GLU QG 1 27 VAL QG 8.320 . 8.820 4.576 4.395 4.702 . 0 0 "[ . 1 . 2]" 3
132 1 11 GLU QG 1 13 VAL QG 6.810 . 7.310 4.514 4.501 4.526 . 0 0 "[ . 1 . 2]" 3
133 1 12 GLN QB 1 13 VAL H 6.170 . 6.670 2.774 2.481 3.015 . 0 0 "[ . 1 . 2]" 3
134 1 12 GLN QB 1 56 PHE HE1 8.420 . 8.920 5.485 5.109 6.086 . 0 0 "[ . 1 . 2]" 3
135 1 7 PHE HE1 1 12 GLN QB . . 7.430 3.332 2.989 3.836 . 0 0 "[ . 1 . 2]" 3
136 1 12 GLN QB 1 26 LYS HA 6.170 . 6.670 4.644 4.080 4.946 . 0 0 "[ . 1 . 2]" 3
137 1 11 GLU HA 1 12 GLN QB 6.170 . 6.670 4.609 4.374 4.937 . 0 0 "[ . 1 . 2]" 3
138 1 12 GLN QB 1 55 ALA MB 10.110 . 10.610 5.822 5.420 6.174 . 0 0 "[ . 1 . 2]" 3
139 1 12 GLN QG 1 13 VAL H . . 5.550 3.882 3.603 4.493 . 0 0 "[ . 1 . 2]" 3
140 1 12 GLN QG 1 56 PHE HE1 8.420 . 8.920 6.221 5.581 6.857 . 0 0 "[ . 1 . 2]" 3
141 1 7 PHE HE1 1 12 GLN QG 7.780 . 8.280 4.690 3.935 4.975 . 0 0 "[ . 1 . 2]" 3
142 1 12 GLN QG 1 26 LYS HA 6.170 . 6.670 4.292 3.774 5.247 . 0 0 "[ . 1 . 2]" 3
143 1 11 GLU HA 1 12 GLN QG 6.170 . 6.670 4.021 3.574 4.970 . 0 0 "[ . 1 . 2]" 3
144 1 12 GLN QG 1 56 PHE QB 6.930 . 7.430 4.432 3.747 4.846 . 0 0 "[ . 1 . 2]" 3
145 1 12 GLN QG 1 26 LYS QB . . 8.280 4.676 3.215 5.815 . 0 0 "[ . 1 . 2]" 3
146 1 12 GLN QG 1 26 LYS QG 8.730 . 9.230 5.095 4.363 5.777 . 0 0 "[ . 1 . 2]" 3
147 1 13 VAL QG 1 54 LYS H 7.410 . 7.910 3.840 3.651 3.941 . 0 0 "[ . 1 . 2]" 3
148 1 13 VAL QG 1 25 ALA H . . 6.570 3.293 3.209 3.410 . 0 0 "[ . 1 . 2]" 3
149 1 12 GLN H 1 13 VAL QG . . 7.310 3.020 2.932 3.100 . 0 0 "[ . 1 . 2]" 3
150 1 13 VAL QG 1 27 VAL H 7.410 . 7.910 2.821 2.613 3.099 . 0 0 "[ . 1 . 2]" 3
151 1 11 GLU H 1 13 VAL QG 7.410 . 7.910 4.588 4.479 4.707 . 0 0 "[ . 1 . 2]" 3
152 1 13 VAL QG 1 36 TYR HH 6.070 . 6.570 3.011 2.641 3.226 . 0 0 "[ . 1 . 2]" 3
153 1 7 PHE QD 1 13 VAL QG 7.640 . 8.140 3.854 3.598 4.065 . 0 0 "[ . 1 . 2]" 3
154 1 13 VAL QG 1 26 LYS HA . . 7.310 3.163 2.484 3.494 . 0 0 "[ . 1 . 2]" 3
155 1 13 VAL QG 1 14 LEU HA . . 7.310 3.820 3.766 3.903 . 0 0 "[ . 1 . 2]" 3
156 1 13 VAL QG 1 55 ALA HA . . 6.570 2.232 2.083 2.371 . 0 0 "[ . 1 . 2]" 3
157 1 11 GLU HA 1 13 VAL QG 7.410 . 7.910 5.420 5.309 5.539 . 0 0 "[ . 1 . 2]" 3
158 1 13 VAL QG 1 27 VAL HA 7.410 . 7.910 2.977 2.841 3.069 . 0 0 "[ . 1 . 2]" 3
159 1 13 VAL QG 1 36 TYR QB 10.490 . 10.990 3.967 3.784 4.122 . 0 0 "[ . 1 . 2]" 3
160 1 13 VAL QG 1 53 VAL HB 7.410 . 7.910 4.417 4.242 4.571 . 0 0 "[ . 1 . 2]" 3
161 1 13 VAL QG 1 55 ALA MB . . 7.780 3.617 3.457 3.724 . 0 0 "[ . 1 . 2]" 3
162 1 13 VAL QG 1 14 LEU QB 10.880 . 11.380 2.799 2.654 2.965 . 0 0 "[ . 1 . 2]" 3
163 1 13 VAL QG 1 27 VAL QG . . 6.860 1.707 1.692 1.725 0.108 9 0 "[ . 1 . 2]" 3
164 1 13 VAL QG 1 38 VAL QG . . 6.860 2.065 2.043 2.088 . 0 0 "[ . 1 . 2]" 3
165 1 13 VAL QG 1 53 VAL QG 9.990 . 10.490 2.270 2.120 2.375 . 0 0 "[ . 1 . 2]" 3
166 1 13 VAL QG 1 28 THR H 7.410 . 7.910 4.657 4.525 4.766 . 0 0 "[ . 1 . 2]" 3
167 1 13 VAL QG 1 15 ALA H 7.410 . 7.910 4.270 4.136 4.379 . 0 0 "[ . 1 . 2]" 3
168 1 13 VAL QG 1 26 LYS H 8.320 . 8.820 3.999 3.778 4.281 . 0 0 "[ . 1 . 2]" 3
169 1 7 PHE HD2 1 13 VAL QG 7.410 . 7.910 5.045 4.625 5.458 . 0 0 "[ . 1 . 2]" 3
170 1 13 VAL QG 1 15 ALA HA 7.410 . 7.910 4.496 4.387 4.647 . 0 0 "[ . 1 . 2]" 3
171 1 12 GLN QG 1 13 VAL QG 8.320 . 8.820 4.809 4.591 5.141 . 0 0 "[ . 1 . 2]" 3
172 1 13 VAL QG 1 38 VAL HB 6.070 . 6.570 3.345 3.221 3.494 . 0 0 "[ . 1 . 2]" 3
173 1 13 VAL QG 1 15 ALA MB 5.670 . 6.170 2.830 2.676 3.012 . 0 0 "[ . 1 . 2]" 3
174 1 13 VAL QG 1 54 LYS QG 10.490 . 10.990 3.430 3.143 3.701 . 0 0 "[ . 1 . 2]" 3
175 1 13 VAL QG 1 30 VAL MG2 10.690 . 11.190 3.272 3.076 3.470 . 0 0 "[ . 1 . 2]" 3
176 1 13 VAL QG 1 25 ALA MB 5.440 . 5.940 1.670 1.652 1.685 0.148 9 0 "[ . 1 . 2]" 3
177 1 13 VAL HA 1 54 LYS H 7.500 . 8.000 4.997 4.832 5.187 . 0 0 "[ . 1 . 2]" 3
178 1 13 VAL HA 1 14 LEU H 3.500 . 4.000 2.478 2.397 2.536 . 0 0 "[ . 1 . 2]" 3
179 1 7 PHE HE1 1 13 VAL HA 6.610 . 7.110 4.248 4.042 4.634 . 0 0 "[ . 1 . 2]" 3
180 1 13 VAL HA 1 55 ALA HA 4.500 . 5.000 2.891 2.617 3.071 . 0 0 "[ . 1 . 2]" 3
181 1 13 VAL HA 1 56 PHE HA 5.500 . 6.000 3.800 3.170 4.101 . 0 0 "[ . 1 . 2]" 3
182 1 13 VAL HA 1 56 PHE QB 5.050 . 5.550 3.446 2.916 3.726 . 0 0 "[ . 1 . 2]" 3
183 1 11 GLU QG 1 13 VAL HA 8.420 . 8.920 5.819 5.693 5.979 . 0 0 "[ . 1 . 2]" 3
184 1 13 VAL HA 1 14 LEU QB 7.190 . 7.690 3.899 3.760 3.961 . 0 0 "[ . 1 . 2]" 3
185 1 13 VAL HA 1 14 LEU HG 5.500 . 6.000 4.334 4.076 4.731 . 0 0 "[ . 1 . 2]" 3
186 1 13 VAL HA 1 14 LEU QD 7.470 . 7.970 3.812 3.739 3.887 . 0 0 "[ . 1 . 2]" 3
187 1 13 VAL HB 1 54 LYS H 5.500 . 6.000 3.364 3.237 3.468 . 0 0 "[ . 1 . 2]" 3
188 1 13 VAL HB 1 14 LEU H 3.500 . 4.000 2.285 2.137 2.485 . 0 0 "[ . 1 . 2]" 3
189 1 13 VAL HB 1 36 TYR QD 7.190 . 7.690 4.548 4.297 4.658 . 0 0 "[ . 1 . 2]" 3
190 1 13 VAL HB 1 14 LEU HA 6.170 . 6.670 3.989 3.899 4.043 . 0 0 "[ . 1 . 2]" 3
191 1 12 GLN HA 1 13 VAL HB 6.610 . 7.110 4.498 4.278 4.579 . 0 0 "[ . 1 . 2]" 3
192 1 13 VAL HB 1 14 LEU QB 7.190 . 7.690 4.161 4.072 4.270 . 0 0 "[ . 1 . 2]" 3
193 1 13 VAL HB 1 14 LEU QB 7.190 . 7.690 3.578 3.420 3.686 . 0 0 "[ . 1 . 2]" 3
194 1 13 VAL HB 1 14 LEU QD 9.140 . 9.640 3.398 3.342 3.452 . 0 0 "[ . 1 . 2]" 3
195 1 13 VAL HB 1 53 VAL QG 4.720 . 5.220 2.391 2.299 2.498 . 0 0 "[ . 1 . 2]" 3
196 1 13 VAL QG 1 14 LEU HA 8.320 . 8.820 3.996 3.908 4.086 . 0 0 "[ . 1 . 2]" 3
197 1 13 VAL HB 1 14 LEU HA 5.500 . 6.000 4.402 4.239 4.472 . 0 0 "[ . 1 . 2]" 3
198 1 14 LEU HA 1 22 PHE QB 6.170 . 6.670 3.795 3.598 4.007 . 0 0 "[ . 1 . 2]" 3
199 1 13 VAL HA 1 14 LEU HA 5.500 . 6.000 4.536 4.520 4.563 . 0 0 "[ . 1 . 2]" 3
200 1 14 LEU HA 1 22 PHE HD1 5.500 . 6.000 4.696 4.241 5.545 . 0 0 "[ . 1 . 2]" 3
201 1 14 LEU HA 1 23 TYR HD1 6.170 . 6.670 4.142 3.806 4.811 . 0 0 "[ . 1 . 2]" 3
202 1 14 LEU HA 1 25 ALA H 5.500 . 6.000 3.642 3.542 3.763 . 0 0 "[ . 1 . 2]" 3
203 1 14 LEU HA 1 15 ALA H 3.500 . 4.000 2.208 2.175 2.239 . 0 0 "[ . 1 . 2]" 3
204 1 14 LEU QB 1 15 ALA H 6.170 . 6.670 3.313 3.186 3.397 . 0 0 "[ . 1 . 2]" 3
205 1 14 LEU QB 1 54 LYS H 6.170 . 6.670 3.221 3.057 3.454 . 0 0 "[ . 1 . 2]" 3
206 1 14 LEU QB 1 22 PHE H 6.170 . 6.670 5.234 5.054 5.502 . 0 0 "[ . 1 . 2]" 3
207 1 14 LEU QB 1 22 PHE HE1 6.930 . 7.430 4.537 4.115 5.261 . 0 0 "[ . 1 . 2]" 3
208 1 14 LEU QB 1 56 PHE HD1 6.170 . 6.670 4.385 4.281 4.538 . 0 0 "[ . 1 . 2]" 3
209 1 14 LEU QB 1 22 PHE QB . . 6.170 2.170 2.109 2.272 . 0 0 "[ . 1 . 2]" 3
210 1 13 VAL HB 1 14 LEU QB 6.170 . 6.670 4.332 4.236 4.497 . 0 0 "[ . 1 . 2]" 3
211 1 14 LEU QB 1 54 LYS QE 6.930 . 7.430 3.157 2.859 3.602 . 0 0 "[ . 1 . 2]" 3
212 1 14 LEU QB 1 53 VAL HB . . 7.910 4.240 4.113 4.403 . 0 0 "[ . 1 . 2]" 3
213 1 14 LEU QB 1 53 VAL QG 8.320 . 8.820 4.228 4.158 4.347 . 0 0 "[ . 1 . 2]" 3
214 1 14 LEU QD 1 15 ALA H . . 6.570 3.493 3.372 3.633 . 0 0 "[ . 1 . 2]" 3
215 1 14 LEU QD 1 54 LYS H 7.410 . 7.910 4.681 4.524 4.842 . 0 0 "[ . 1 . 2]" 3
216 1 14 LEU QD 1 22 PHE HD1 7.410 . 7.910 4.190 3.770 4.965 . 0 0 "[ . 1 . 2]" 3
217 1 14 LEU QD 1 22 PHE HA 8.320 . 8.820 3.773 3.526 3.994 . 0 0 "[ . 1 . 2]" 3
218 1 14 LEU QD 1 56 PHE HA 6.070 . 6.570 2.847 2.354 3.256 . 0 0 "[ . 1 . 2]" 3
219 1 14 LEU QD 1 22 PHE QB 6.810 . 7.310 2.271 2.010 2.549 . 0 0 "[ . 1 . 2]" 3
220 1 14 LEU QD 1 54 LYS QE 6.810 . 7.310 2.452 2.056 3.042 . 0 0 "[ . 1 . 2]" 3
221 1 14 LEU QD 1 24 PRO QB . . 7.310 2.980 2.797 3.214 . 0 0 "[ . 1 . 2]" 3
222 1 14 LEU QD 1 24 PRO QG . . 7.310 4.019 3.822 4.257 . 0 0 "[ . 1 . 2]" 3
223 1 14 LEU QD 1 54 LYS QB 8.320 . 8.820 4.611 4.289 4.848 . 0 0 "[ . 1 . 2]" 3
224 1 14 LEU QD 1 76 LEU QD 8.180 . 8.680 3.789 3.148 4.530 . 0 0 "[ . 1 . 2]" 3
225 1 14 LEU H 1 14 LEU HG 5.500 . 6.000 3.289 3.089 3.490 . 0 0 "[ . 1 . 2]" 3
226 1 14 LEU HG 1 56 PHE HD1 5.500 . 6.000 2.372 2.167 2.532 . 0 0 "[ . 1 . 2]" 3
227 1 14 LEU HG 1 56 PHE HA 4.500 . 5.000 2.183 2.062 2.388 . 0 0 "[ . 1 . 2]" 3
228 1 14 LEU HG 1 56 PHE QB 6.170 . 6.670 3.938 3.633 4.166 . 0 0 "[ . 1 . 2]" 3
229 1 14 LEU QD 1 23 TYR H 7.410 . 7.910 3.478 3.229 3.696 . 0 0 "[ . 1 . 2]" 3
230 1 14 LEU QD 1 25 ALA H 6.070 . 6.570 4.234 4.111 4.446 . 0 0 "[ . 1 . 2]" 3
231 1 14 LEU QD 1 56 PHE QB 8.320 . 8.820 4.066 3.761 4.293 . 0 0 "[ . 1 . 2]" 3
232 1 15 ALA HA 1 54 LYS H 5.500 . 6.000 3.720 3.639 3.834 . 0 0 "[ . 1 . 2]" 3
233 1 15 ALA HA 1 16 SER H 4.500 . 5.000 2.230 2.210 2.251 . 0 0 "[ . 1 . 2]" 3
234 1 15 ALA HA 1 53 VAL H 5.500 . 6.000 4.830 4.797 4.862 . 0 0 "[ . 1 . 2]" 3
235 1 15 ALA HA 1 22 PHE HE1 5.500 . 6.000 3.633 3.374 4.144 . 0 0 "[ . 1 . 2]" 3
236 1 15 ALA HA 1 53 VAL HA 4.500 . 5.000 2.300 2.250 2.358 . 0 0 "[ . 1 . 2]" 3
237 1 13 VAL HA 1 15 ALA HA 7.500 . 8.000 6.908 6.768 7.048 . 0 0 "[ . 1 . 2]" 3
238 1 15 ALA HA 1 16 SER HA 5.500 . 6.000 4.358 4.327 4.396 . 0 0 "[ . 1 . 2]" 3
239 1 15 ALA HA 1 16 SER QB 6.930 . 7.430 4.042 3.908 4.092 . 0 0 "[ . 1 . 2]" 3
240 1 15 ALA HA 1 16 SER QB 6.170 . 6.670 4.320 4.231 4.367 . 0 0 "[ . 1 . 2]" 3
241 1 13 VAL HB 1 15 ALA HA 5.500 . 6.000 4.891 4.697 5.029 . 0 0 "[ . 1 . 2]" 3
242 1 15 ALA HA 1 53 VAL HB 6.610 . 7.110 4.570 4.524 4.638 . 0 0 "[ . 1 . 2]" 3
243 1 15 ALA HA 1 54 LYS QD 8.420 . 8.920 6.875 6.724 6.984 . 0 0 "[ . 1 . 2]" 3
244 1 15 ALA HA 1 48 VAL QG 7.410 . 7.910 4.393 4.230 4.509 . 0 0 "[ . 1 . 2]" 3
245 1 15 ALA HA 1 53 VAL QG 6.070 . 6.570 2.307 2.257 2.372 . 0 0 "[ . 1 . 2]" 3
246 1 13 VAL QG 1 15 ALA HA 8.320 . 8.820 3.678 3.627 3.750 . 0 0 "[ . 1 . 2]" 3
247 1 15 ALA HA 1 52 HIS QB 6.170 . 6.670 4.418 4.284 4.512 . 0 0 "[ . 1 . 2]" 3
248 1 15 ALA MB 1 25 ALA H 6.610 . 7.110 4.341 4.212 4.435 . 0 0 "[ . 1 . 2]" 3
249 1 14 LEU H 1 15 ALA MB 7.410 . 7.910 4.164 4.005 4.357 . 0 0 "[ . 1 . 2]" 3
250 1 15 ALA MB 1 16 SER H 5.400 . 5.900 2.967 2.890 3.050 . 0 0 "[ . 1 . 2]" 3
251 1 15 ALA MB 1 40 PHE HZ 5.400 . 5.900 2.781 2.325 3.290 . 0 0 "[ . 1 . 2]" 3
252 1 15 ALA MB 1 22 PHE HD1 6.610 . 7.110 4.267 4.136 4.549 . 0 0 "[ . 1 . 2]" 3
253 1 15 ALA MB 1 17 TRP HA 7.410 . 7.910 4.436 4.173 4.655 . 0 0 "[ . 1 . 2]" 3
254 1 14 LEU HA 1 15 ALA MB 6.070 . 6.570 3.286 3.243 3.356 . 0 0 "[ . 1 . 2]" 3
255 1 15 ALA MB 1 22 PHE HA 7.410 . 7.910 4.136 4.085 4.182 . 0 0 "[ . 1 . 2]" 3
256 1 15 ALA MB 1 36 TYR QB 10.820 . 11.320 4.345 4.178 4.686 . 0 0 "[ . 1 . 2]" 3
257 1 15 ALA MB 1 48 VAL QG 7.280 . 7.780 3.108 2.879 3.287 . 0 0 "[ . 1 . 2]" 3
258 1 15 ALA MB 1 25 ALA MB 5.050 . 5.550 2.262 2.165 2.353 . 0 0 "[ . 1 . 2]" 3
259 1 15 ALA MB 1 38 VAL QG . . 6.170 1.958 1.913 2.034 . 0 0 "[ . 1 . 2]" 3
260 1 13 VAL QG 1 15 ALA MB 6.360 . 6.860 1.924 1.889 1.985 . 0 0 "[ . 1 . 2]" 3
261 1 15 ALA MB 1 53 VAL QG . . 6.170 2.044 1.998 2.085 . 0 0 "[ . 1 . 2]" 3
262 1 15 ALA MB 1 38 VAL HB . . 5.900 3.331 3.203 3.416 . 0 0 "[ . 1 . 2]" 3
263 1 13 VAL HB 1 15 ALA MB 7.930 . 8.430 3.773 3.537 3.934 . 0 0 "[ . 1 . 2]" 3
264 1 15 ALA MB 1 53 VAL HB 6.610 . 7.110 4.512 4.444 4.575 . 0 0 "[ . 1 . 2]" 3
265 1 15 ALA MB 1 54 LYS H 6.610 . 7.110 4.360 4.253 4.456 . 0 0 "[ . 1 . 2]" 3
266 1 16 SER HA 1 23 TYR H 4.500 . 5.000 3.731 3.489 3.925 . 0 0 "[ . 1 . 2]" 3
267 1 16 SER HA 1 17 TRP H 3.500 . 4.000 2.141 2.095 2.196 . 0 0 "[ . 1 . 2]" 3
268 1 16 SER HA 1 22 PHE H 5.500 . 6.000 3.481 3.240 3.936 . 0 0 "[ . 1 . 2]" 3
269 1 16 SER HA 1 20 SER H 6.170 . 6.670 4.241 3.634 4.436 . 0 0 "[ . 1 . 2]" 3
270 1 16 SER HA 1 17 TRP HE3 6.170 . 6.670 5.185 5.000 5.409 . 0 0 "[ . 1 . 2]" 3
271 1 16 SER HA 1 22 PHE HE1 6.170 . 6.670 4.008 3.708 4.222 . 0 0 "[ . 1 . 2]" 3
272 1 16 SER HA 1 23 TYR HD1 5.500 . 6.000 3.969 3.789 4.122 . 0 0 "[ . 1 . 2]" 3
273 1 16 SER HA 1 22 PHE HD1 5.500 . 6.000 3.206 2.468 3.658 . 0 0 "[ . 1 . 2]" 3
274 1 16 SER HA 1 52 HIS HA 7.500 . 8.000 5.425 5.277 5.570 . 0 0 "[ . 1 . 2]" 3
275 1 16 SER HA 1 52 HIS QB 6.170 . 6.670 4.986 4.896 5.127 . 0 0 "[ . 1 . 2]" 3
276 1 16 SER HA 1 17 TRP QB 6.170 . 6.670 4.010 3.818 4.137 . 0 0 "[ . 1 . 2]" 3
277 1 16 SER HA 1 22 PHE QB 6.170 . 6.670 4.369 4.250 4.459 . 0 0 "[ . 1 . 2]" 3
278 1 14 LEU QB 1 16 SER HA 7.410 . 7.910 4.034 3.846 4.324 . 0 0 "[ . 1 . 2]" 3
279 1 14 LEU QB 1 16 SER HA 7.190 . 7.690 4.308 4.274 4.339 . 0 0 "[ . 1 . 2]" 3
280 1 16 SER QB 1 17 TRP H 6.170 . 6.670 3.407 2.866 3.659 . 0 0 "[ . 1 . 2]" 3
281 1 16 SER QB 1 22 PHE H 8.420 . 8.920 4.622 4.148 5.261 . 0 0 "[ . 1 . 2]" 3
282 1 16 SER QB 1 21 ARG H . . 7.430 4.446 3.671 4.719 . 0 0 "[ . 1 . 2]" 3
283 1 16 SER QB 1 53 VAL H 6.170 . 6.670 5.535 5.523 5.545 . 0 0 "[ . 1 . 2]" 3
284 1 16 SER QB 1 23 TYR HE1 8.420 . 8.920 6.364 6.164 6.684 . 0 0 "[ . 1 . 2]" 3
285 1 16 SER QB 1 22 PHE HZ 7.410 . 7.910 4.927 4.802 5.051 . 0 0 "[ . 1 . 2]" 3
286 1 16 SER QB 1 22 PHE HE1 6.170 . 6.670 3.965 3.378 4.298 . 0 0 "[ . 1 . 2]" 3
287 1 16 SER QB 1 22 PHE HD1 6.930 . 7.430 3.481 3.212 3.656 . 0 0 "[ . 1 . 2]" 3
288 1 16 SER QB 1 17 TRP HA 6.170 . 6.670 4.576 4.325 4.697 . 0 0 "[ . 1 . 2]" 3
289 1 16 SER QB 1 52 HIS HA 6.170 . 6.670 3.092 2.988 3.249 . 0 0 "[ . 1 . 2]" 3
290 1 16 SER QB 1 52 HIS QB . . 6.170 2.268 2.156 2.434 . 0 0 "[ . 1 . 2]" 3
291 1 15 ALA MB 1 16 SER QB 7.410 . 7.910 4.356 4.230 4.434 . 0 0 "[ . 1 . 2]" 3
292 1 16 SER QB 1 48 VAL QG 8.320 . 8.820 3.838 3.573 4.061 . 0 0 "[ . 1 . 2]" 3
293 1 16 SER QB 1 53 VAL QG 8.320 . 8.820 4.153 4.001 4.254 . 0 0 "[ . 1 . 2]" 3
294 1 16 SER QB 1 48 VAL HB 6.170 . 6.670 4.829 4.656 5.099 . 0 0 "[ . 1 . 2]" 3
295 1 17 TRP QB 1 23 TYR HD1 5.050 . 5.550 2.116 2.032 2.227 . 0 0 "[ . 1 . 2]" 3
296 1 17 TRP QB 1 23 TYR H 6.170 . 6.670 4.080 3.906 4.223 . 0 0 "[ . 1 . 2]" 3
297 1 17 TRP HA 1 17 TRP HE3 5.050 . 5.550 4.689 4.682 4.710 . 0 0 "[ . 1 . 2]" 3
298 1 17 TRP HA 1 46 GLN QE 6.170 . 6.670 3.400 3.156 3.787 . 0 0 "[ . 1 . 2]" 3
299 1 17 TRP HA 1 18 SER H 5.500 . 6.000 2.355 2.300 2.453 . 0 0 "[ . 1 . 2]" 3
300 1 16 SER HA 1 17 TRP HA 5.500 . 6.000 4.461 4.431 4.489 . 0 0 "[ . 1 . 2]" 3
301 1 17 TRP HA 1 18 SER HA 6.170 . 6.670 4.292 4.275 4.315 . 0 0 "[ . 1 . 2]" 3
302 1 17 TRP HA 1 46 GLN QG 6.170 . 6.670 5.382 5.035 5.545 . 0 0 "[ . 1 . 2]" 3
303 1 17 TRP HA 1 48 VAL QG 10.110 . 10.610 5.238 4.967 5.562 . 0 0 "[ . 1 . 2]" 3
304 1 18 SER QB 1 20 SER H 6.170 . 6.670 4.991 4.419 5.181 . 0 0 "[ . 1 . 2]" 3
305 1 18 SER QB 1 19 ASP H 6.170 . 6.670 3.039 2.930 3.137 . 0 0 "[ . 1 . 2]" 3
306 1 17 TRP HE3 1 18 SER QB 10.610 . 11.110 5.293 5.044 5.397 . 0 0 "[ . 1 . 2]" 3
307 1 17 TRP HZ2 1 18 SER QB 10.610 . 11.110 5.224 4.980 5.457 . 0 0 "[ . 1 . 2]" 3
308 1 17 TRP HD1 1 18 SER QB . . 7.910 4.370 4.216 4.415 . 0 0 "[ . 1 . 2]" 3
309 1 17 TRP HZ3 1 18 SER QB 8.420 . 8.920 6.543 6.153 6.702 . 0 0 "[ . 1 . 2]" 3
310 1 17 TRP HA 1 18 SER QB 6.170 . 6.670 4.693 4.637 4.777 . 0 0 "[ . 1 . 2]" 3
311 1 18 SER QB 1 19 ASP HA 6.170 . 6.670 4.153 4.080 4.287 . 0 0 "[ . 1 . 2]" 3
312 1 9 ILE MD 1 29 ALA HA 5.300 . 5.800 2.324 2.233 2.438 . 0 0 "[ . 1 . 2]" 3
313 1 9 ILE HB 1 29 ALA HA 5.500 . 6.000 5.159 5.026 5.308 . 0 0 "[ . 1 . 2]" 3
314 1 29 ALA HA 1 30 VAL HB 4.500 . 5.000 4.558 4.540 4.574 . 0 0 "[ . 1 . 2]" 3
315 1 18 SER HA 1 19 ASP HA 6.070 . 6.570 3.865 3.816 3.928 . 0 0 "[ . 1 . 2]" 3
316 1 19 ASP HA 1 20 SER QB 6.070 . 6.570 4.072 4.040 4.110 . 0 0 "[ . 1 . 2]" 3
317 1 29 ALA HA 1 37 THR HA 7.500 . 8.000 6.891 6.830 6.956 . 0 0 "[ . 1 . 2]" 3
318 1 29 ALA HA 1 30 VAL H 3.500 . 4.000 2.359 2.316 2.382 . 0 0 "[ . 1 . 2]" 3
319 1 29 ALA HA 1 37 THR H 5.500 . 6.000 4.739 4.678 4.834 . 0 0 "[ . 1 . 2]" 3
320 1 28 THR H 1 29 ALA HA 5.500 . 6.000 4.581 4.521 4.648 . 0 0 "[ . 1 . 2]" 3
321 1 19 ASP QB 1 20 SER H . . 7.430 2.583 2.410 3.283 . 0 0 "[ . 1 . 2]" 3
322 1 17 TRP HE3 1 19 ASP QB 6.930 . 7.430 1.926 1.861 1.984 . 0 0 "[ . 1 . 2]" 3
323 1 33 ASP QB 1 35 THR MG 7.410 . 7.910 3.612 3.490 3.663 . 0 0 "[ . 1 . 2]" 3
324 1 19 ASP HA 1 20 SER HA 6.170 . 6.670 4.213 4.019 4.268 . 0 0 "[ . 1 . 2]" 3
325 1 18 SER HA 1 19 ASP H 5.500 . 6.000 3.493 3.462 3.530 . 0 0 "[ . 1 . 2]" 3
326 1 21 ARG QB 1 22 PHE H 5.050 . 5.550 1.992 1.927 2.062 . 0 0 "[ . 1 . 2]" 3
327 1 21 ARG QB 1 22 PHE HE1 6.170 . 6.670 5.562 5.527 5.580 . 0 0 "[ . 1 . 2]" 3
328 1 66 ALA HA 1 67 ARG QD 5.050 . 5.550 4.436 2.899 4.617 . 0 0 "[ . 1 . 2]" 3
329 1 20 SER HA 1 21 ARG QD 5.050 . 5.550 4.423 4.234 4.647 . 0 0 "[ . 1 . 2]" 3
330 1 21 ARG QG 1 22 PHE H 6.170 . 6.670 2.396 2.173 2.938 . 0 0 "[ . 1 . 2]" 3
331 1 21 ARG QG 1 22 PHE HA 8.420 . 8.920 4.411 4.252 4.605 . 0 0 "[ . 1 . 2]" 3
332 1 21 ARG QG 1 75 HIS QB 5.670 . 6.170 4.483 4.257 4.537 . 0 0 "[ . 1 . 2]" 3
333 1 20 SER QB 1 21 ARG QG 6.930 . 7.430 4.306 4.011 5.318 . 0 0 "[ . 1 . 2]" 3
334 1 22 PHE QB 1 23 TYR H 6.170 . 6.670 2.954 2.692 3.069 . 0 0 "[ . 1 . 2]" 3
335 1 14 LEU HA 1 22 PHE QB 7.780 . 8.280 3.747 3.558 3.943 . 0 0 "[ . 1 . 2]" 3
336 1 14 LEU QB 1 22 PHE QB 7.780 . 8.280 2.132 2.051 2.253 . 0 0 "[ . 1 . 2]" 3
337 1 14 LEU HG 1 22 PHE QB 8.320 . 8.820 3.175 2.679 3.851 . 0 0 "[ . 1 . 2]" 3
338 1 58 LYS QE 1 59 ASP QB 7.780 . 8.280 4.853 3.659 5.844 . 0 0 "[ . 1 . 2]" 3
339 1 58 LYS QB 1 59 ASP QB 6.930 . 7.430 4.369 3.541 4.989 . 0 0 "[ . 1 . 2]" 3
340 1 58 LYS QG 1 59 ASP QB 8.730 . 9.230 3.742 2.784 5.082 . 0 0 "[ . 1 . 2]" 3
341 1 59 ASP QB 1 62 ILE MD 7.410 . 7.910 5.385 4.860 5.521 . 0 0 "[ . 1 . 2]" 3
342 1 59 ASP QB 1 60 GLN HA 6.170 . 6.670 4.630 4.498 4.681 . 0 0 "[ . 1 . 2]" 3
343 1 58 LYS HA 1 59 ASP QB 6.170 . 6.670 5.190 5.129 5.234 . 0 0 "[ . 1 . 2]" 3
344 1 23 TYR HA 1 40 PHE QD 7.500 . 8.000 5.999 5.771 6.173 . 0 0 "[ . 1 . 2]" 3
345 1 23 TYR HA 1 24 PRO QD 3.930 . 4.430 2.294 2.250 2.346 . 0 0 "[ . 1 . 2]" 3
346 1 23 TYR HA 1 24 PRO QG 6.170 . 6.670 4.231 4.193 4.285 . 0 0 "[ . 1 . 2]" 3
347 1 21 ARG QB 1 23 TYR HA 6.930 . 7.430 4.202 4.166 4.254 . 0 0 "[ . 1 . 2]" 3
348 1 15 ALA MB 1 23 TYR HA 9.010 . 9.510 6.103 6.020 6.164 . 0 0 "[ . 1 . 2]" 3
349 1 14 LEU QD 1 23 TYR HA 6.810 . 7.310 3.251 3.024 3.526 . 0 0 "[ . 1 . 2]" 3
350 1 15 ALA H 1 23 TYR HA 5.500 . 6.000 4.762 4.671 4.853 . 0 0 "[ . 1 . 2]" 3
351 1 23 TYR QB 1 40 PHE QD 6.810 . 7.310 3.331 3.054 3.571 . 0 0 "[ . 1 . 2]" 3
352 1 22 PHE HA 1 23 TYR QB 8.320 . 8.820 4.144 3.981 4.200 . 0 0 "[ . 1 . 2]" 3
353 1 16 SER HA 1 23 TYR QB 9.450 . 9.950 4.972 4.676 5.263 . 0 0 "[ . 1 . 2]" 3
354 1 22 PHE QB 1 23 TYR QB 8.730 . 9.230 4.895 4.707 4.976 . 0 0 "[ . 1 . 2]" 3
355 1 14 LEU QB 1 23 TYR QB 9.700 . 10.200 4.363 4.184 4.530 . 0 0 "[ . 1 . 2]" 3
356 1 14 LEU QD 1 23 TYR QB 12.920 . 13.420 3.823 3.698 3.929 . 0 0 "[ . 1 . 2]" 3
357 1 15 ALA H 1 24 PRO HA 5.500 . 6.000 3.717 3.638 3.878 . 0 0 "[ . 1 . 2]" 3
358 1 24 PRO HA 1 25 ALA H 3.500 . 4.000 2.226 2.190 2.282 . 0 0 "[ . 1 . 2]" 3
359 1 13 VAL H 1 24 PRO HA 5.500 . 6.000 4.193 4.065 4.291 . 0 0 "[ . 1 . 2]" 3
360 1 24 PRO HA 1 40 PHE QD 6.170 . 6.670 5.218 5.081 5.399 . 0 0 "[ . 1 . 2]" 3
361 1 24 PRO HA 1 56 PHE HE1 5.500 . 6.000 4.361 4.021 5.339 . 0 0 "[ . 1 . 2]" 3
362 1 24 PRO HA 1 56 PHE HD1 5.500 . 6.000 3.920 3.490 4.925 . 0 0 "[ . 1 . 2]" 3
363 1 13 VAL HA 1 24 PRO HA 6.170 . 6.670 5.154 5.024 5.263 . 0 0 "[ . 1 . 2]" 3
364 1 14 LEU QB 1 24 PRO HA 6.170 . 6.670 4.555 4.353 4.667 . 0 0 "[ . 1 . 2]" 3
365 1 14 LEU QD 1 24 PRO HA 5.300 . 5.800 2.445 2.274 2.667 . 0 0 "[ . 1 . 2]" 3
366 1 13 VAL QG 1 24 PRO HA 7.410 . 7.910 4.594 4.523 4.676 . 0 0 "[ . 1 . 2]" 3
367 1 24 PRO QB 1 25 ALA H 5.050 . 5.550 3.052 2.987 3.130 . 0 0 "[ . 1 . 2]" 3
368 1 24 PRO QB 1 56 PHE HE1 6.170 . 6.670 2.882 2.521 3.841 . 0 0 "[ . 1 . 2]" 3
369 1 24 PRO QB 1 40 PHE QD 8.900 . 9.400 4.286 4.250 4.314 . 0 0 "[ . 1 . 2]" 3
370 1 12 GLN QE 1 24 PRO QB 8.320 . 8.820 2.217 2.082 2.271 . 0 0 "[ . 1 . 2]" 3
371 1 24 PRO QB 1 26 LYS HA 8.420 . 8.920 6.232 6.091 6.370 . 0 0 "[ . 1 . 2]" 3
372 1 23 TYR HA 1 24 PRO QB 6.170 . 6.670 4.744 4.686 4.816 . 0 0 "[ . 1 . 2]" 3
373 1 24 PRO QB 1 56 PHE HA 6.170 . 6.670 5.488 5.337 5.566 . 0 0 "[ . 1 . 2]" 3
374 1 14 LEU HG 1 24 PRO QB 6.170 . 6.670 4.648 4.185 4.893 . 0 0 "[ . 1 . 2]" 3
375 1 24 PRO QB 1 76 LEU QD 6.810 . 7.310 3.190 2.736 4.174 . 0 0 "[ . 1 . 2]" 3
376 1 30 VAL HB 1 31 ASN H 5.500 . 6.000 4.012 3.904 4.139 . 0 0 "[ . 1 . 2]" 3
377 1 24 PRO QG 1 25 ALA H 6.170 . 6.670 4.534 4.469 4.603 . 0 0 "[ . 1 . 2]" 3
378 1 24 PRO QG 1 40 PHE QD 6.930 . 7.430 3.517 3.401 3.610 . 0 0 "[ . 1 . 2]" 3
379 1 24 PRO QG 1 56 PHE HE1 6.170 . 6.670 3.979 3.599 4.699 . 0 0 "[ . 1 . 2]" 3
380 1 23 TYR QD 1 24 PRO QG 10.110 . 10.610 4.445 4.151 4.690 . 0 0 "[ . 1 . 2]" 3
381 1 14 LEU QD 1 24 PRO QG . . 10.200 3.885 3.729 4.055 . 0 0 "[ . 1 . 2]" 3
382 1 15 ALA H 1 24 PRO QD 6.170 . 6.670 5.187 5.134 5.252 . 0 0 "[ . 1 . 2]" 3
383 1 23 TYR H 1 24 PRO QD 6.170 . 6.670 4.329 4.282 4.372 . 0 0 "[ . 1 . 2]" 3
384 1 24 PRO QD 1 25 ALA H 6.170 . 6.670 4.993 4.956 5.008 . 0 0 "[ . 1 . 2]" 3
385 1 23 TYR QE 1 24 PRO QD 7.780 . 8.280 4.964 4.770 5.200 . 0 0 "[ . 1 . 2]" 3
386 1 24 PRO QD 1 40 PHE QD 5.670 . 6.170 4.513 4.492 4.534 . 0 0 "[ . 1 . 2]" 3
387 1 23 TYR HD2 1 24 PRO QD 6.170 . 6.670 2.893 2.670 3.186 . 0 0 "[ . 1 . 2]" 3
388 1 24 PRO QD 1 56 PHE HE1 6.170 . 6.670 3.797 3.481 4.447 . 0 0 "[ . 1 . 2]" 3
389 1 12 GLN QE 1 24 PRO QD . . 7.910 4.098 3.993 4.238 . 0 0 "[ . 1 . 2]" 3
390 1 22 PHE QB 1 24 PRO QD 6.930 . 7.430 5.012 4.926 5.167 . 0 0 "[ . 1 . 2]" 3
391 1 24 PRO QD 1 76 LEU QD 8.320 . 8.820 2.990 2.445 3.776 . 0 0 "[ . 1 . 2]" 3
392 1 14 LEU QD 1 24 PRO QD . . 9.840 2.955 2.817 3.132 . 0 0 "[ . 1 . 2]" 3
393 1 25 ALA HA 1 41 TYR H 5.500 . 6.000 3.561 3.310 3.704 . 0 0 "[ . 1 . 2]" 3
394 1 25 ALA HA 1 26 LYS H 4.500 . 5.000 2.444 2.353 2.584 . 0 0 "[ . 1 . 2]" 3
395 1 25 ALA HA 1 40 PHE QD 6.170 . 6.670 3.545 3.311 3.871 . 0 0 "[ . 1 . 2]" 3
396 1 25 ALA HA 1 26 LYS HA 5.500 . 6.000 4.505 4.479 4.554 . 0 0 "[ . 1 . 2]" 3
397 1 25 ALA HA 1 39 LYS HA 7.500 . 8.000 6.100 6.006 6.212 . 0 0 "[ . 1 . 2]" 3
398 1 25 ALA HA 1 26 LYS QB 6.930 . 7.430 4.060 3.929 4.518 . 0 0 "[ . 1 . 2]" 3
399 1 13 VAL QG 1 25 ALA HA 8.320 . 8.820 4.126 3.979 4.236 . 0 0 "[ . 1 . 2]" 3
400 1 25 ALA MB 1 28 THR H 7.410 . 7.910 4.041 3.867 4.174 . 0 0 "[ . 1 . 2]" 3
401 1 23 TYR H 1 25 ALA MB 7.410 . 7.910 4.667 4.555 4.759 . 0 0 "[ . 1 . 2]" 3
402 1 15 ALA H 1 25 ALA MB 5.400 . 5.900 3.475 3.376 3.622 . 0 0 "[ . 1 . 2]" 3
403 1 13 VAL H 1 25 ALA MB 7.410 . 7.910 3.808 3.699 3.929 . 0 0 "[ . 1 . 2]" 3
404 1 25 ALA MB 1 39 LYS H 5.400 . 5.900 3.271 3.188 3.376 . 0 0 "[ . 1 . 2]" 3
405 1 25 ALA MB 1 41 TYR H 5.400 . 5.900 4.437 4.205 4.526 . 0 0 "[ . 1 . 2]" 3
406 1 25 ALA MB 1 27 VAL H 6.610 . 7.110 5.008 4.957 5.090 . 0 0 "[ . 1 . 2]" 3
407 1 25 ALA MB 1 26 LYS H 4.200 . 4.700 2.460 2.366 2.616 . 0 0 "[ . 1 . 2]" 3
408 1 17 TRP HA 1 25 ALA MB 6.490 . 6.990 3.705 3.606 3.749 . 0 0 "[ . 1 . 2]" 3
409 1 14 LEU HA 1 25 ALA MB 5.050 . 5.550 3.549 3.526 3.576 . 0 0 "[ . 1 . 2]" 3
410 1 24 PRO QD 1 25 ALA MB 7.930 . 8.430 4.423 4.352 4.497 . 0 0 "[ . 1 . 2]" 3
411 1 24 PRO QB 1 25 ALA MB 7.410 . 7.910 4.594 4.559 4.616 . 0 0 "[ . 1 . 2]" 3
412 1 24 PRO QG 1 25 ALA MB 10.110 . 10.610 5.164 5.092 5.250 . 0 0 "[ . 1 . 2]" 3
413 1 25 ALA MB 1 38 VAL HB 4.200 . 4.700 2.308 2.214 2.393 . 0 0 "[ . 1 . 2]" 3
414 1 25 ALA MB 1 38 VAL QG 5.670 . 6.170 2.659 2.565 2.715 . 0 0 "[ . 1 . 2]" 3
415 1 13 VAL QG 1 25 ALA MB 5.090 . 5.590 2.213 2.103 2.273 . 0 0 "[ . 1 . 2]" 3
416 1 25 ALA MB 1 28 THR MG 7.070 . 7.570 4.535 4.508 4.561 . 0 0 "[ . 1 . 2]" 3
417 1 26 LYS HA 1 28 THR H 8.420 . 8.920 5.929 5.879 5.967 . 0 0 "[ . 1 . 2]" 3
418 1 10 ASN H 1 26 LYS HA 6.170 . 6.670 4.441 4.252 4.506 . 0 0 "[ . 1 . 2]" 3
419 1 13 VAL H 1 26 LYS HA 4.500 . 5.000 3.650 3.067 3.870 . 0 0 "[ . 1 . 2]" 3
420 1 26 LYS HA 1 39 LYS H 5.500 . 6.000 4.781 4.746 4.830 . 0 0 "[ . 1 . 2]" 3
421 1 12 GLN H 1 26 LYS HA 6.170 . 6.670 4.619 4.319 4.838 . 0 0 "[ . 1 . 2]" 3
422 1 26 LYS HA 1 27 VAL H 3.500 . 4.000 2.285 2.234 2.320 . 0 0 "[ . 1 . 2]" 3
423 1 13 VAL HA 1 26 LYS HA 8.420 . 8.920 5.731 5.252 5.857 . 0 0 "[ . 1 . 2]" 3
424 1 10 ASN HA 1 26 LYS HA 6.170 . 6.670 4.306 4.112 4.442 . 0 0 "[ . 1 . 2]" 3
425 1 26 LYS HA 1 27 VAL HA 5.500 . 6.000 4.511 4.312 4.567 . 0 0 "[ . 1 . 2]" 3
426 1 11 GLU QG 1 26 LYS HA 7.190 . 7.690 4.447 4.359 4.501 . 0 0 "[ . 1 . 2]" 3
427 1 11 GLU QB 1 26 LYS HA 7.410 . 7.910 4.079 3.687 4.692 . 0 0 "[ . 1 . 2]" 3
428 1 26 LYS HA 1 38 VAL HB 6.610 . 7.110 5.127 4.994 5.252 . 0 0 "[ . 1 . 2]" 3
429 1 26 LYS HA 1 28 THR MG 7.610 . 8.110 4.880 4.760 5.162 . 0 0 "[ . 1 . 2]" 3
430 1 26 LYS HA 1 27 VAL QG 7.410 . 7.910 3.756 3.431 3.866 . 0 0 "[ . 1 . 2]" 3
431 1 25 ALA MB 1 26 LYS HA 6.490 . 6.990 3.512 3.242 3.601 . 0 0 "[ . 1 . 2]" 3
432 1 26 LYS HA 1 38 VAL QG 7.410 . 7.910 4.869 4.500 4.988 . 0 0 "[ . 1 . 2]" 3
433 1 13 VAL QG 1 26 LYS HA 6.810 . 7.310 3.243 2.493 3.636 . 0 0 "[ . 1 . 2]" 3
434 1 12 GLN QB 1 26 LYS HA 6.610 . 7.110 4.526 4.045 4.789 . 0 0 "[ . 1 . 2]" 3
435 1 26 LYS QB 1 28 THR H 8.320 . 8.820 5.027 4.849 5.718 . 0 0 "[ . 1 . 2]" 3
436 1 10 ASN H 1 26 LYS QB 8.320 . 8.820 4.781 3.885 4.976 . 0 0 "[ . 1 . 2]" 3
437 1 13 VAL H 1 26 LYS QB 6.930 . 7.430 5.251 4.374 5.487 . 0 0 "[ . 1 . 2]" 3
438 1 26 LYS QB 1 39 LYS H 6.930 . 7.430 3.446 3.150 4.807 . 0 0 "[ . 1 . 2]" 3
439 1 26 LYS QB 1 27 VAL H 5.670 . 6.170 3.748 2.709 3.913 . 0 0 "[ . 1 . 2]" 3
440 1 10 ASN HA 1 26 LYS QB 6.810 . 7.310 4.390 3.074 4.727 . 0 0 "[ . 1 . 2]" 3
441 1 9 ILE HA 1 26 LYS QB 9.450 . 9.950 6.827 5.396 7.183 . 0 0 "[ . 1 . 2]" 3
442 1 24 PRO QB 1 26 LYS QB 9.700 . 10.200 5.195 4.373 5.329 . 0 0 "[ . 1 . 2]" 3
443 1 11 GLU QB 1 26 LYS QB 11.000 . 11.500 4.412 3.151 5.144 . 0 0 "[ . 1 . 2]" 3
444 1 26 LYS QB 1 28 THR MG 8.800 . 9.300 3.146 2.886 4.240 . 0 0 "[ . 1 . 2]" 3
445 1 26 LYS QB 1 27 VAL QG . . 9.840 4.837 4.132 4.943 . 0 0 "[ . 1 . 2]" 3
446 1 25 ALA MB 1 26 LYS QB 8.750 . 9.250 3.900 3.859 3.987 . 0 0 "[ . 1 . 2]" 3
447 1 13 VAL QG 1 26 LYS QB 9.340 . 9.840 4.569 3.918 4.878 . 0 0 "[ . 1 . 2]" 3
448 1 10 ASN H 1 26 LYS QG 6.930 . 7.430 3.596 3.300 4.561 . 0 0 "[ . 1 . 2]" 3
449 1 13 VAL H 1 26 LYS QG 9.450 . 9.950 5.762 5.560 5.945 . 0 0 "[ . 1 . 2]" 3
450 1 26 LYS QG 1 39 LYS H 6.930 . 7.430 4.218 3.257 4.549 . 0 0 "[ . 1 . 2]" 3
451 1 12 GLN H 1 26 LYS QG 6.930 . 7.430 5.208 4.799 6.246 . 0 0 "[ . 1 . 2]" 3
452 1 26 LYS QG 1 27 VAL H 6.930 . 7.430 3.011 2.651 3.926 . 0 0 "[ . 1 . 2]" 3
453 1 11 GLU H 1 26 LYS QG 6.930 . 7.430 3.757 3.084 4.970 . 0 0 "[ . 1 . 2]" 3
454 1 11 GLU QG 1 26 LYS QG 9.700 . 10.200 4.236 3.928 5.290 . 0 0 "[ . 1 . 2]" 3
455 1 11 GLU QB 1 26 LYS QG 9.990 . 10.490 4.519 4.067 4.975 . 0 0 "[ . 1 . 2]" 3
456 1 25 ALA MB 1 26 LYS QG 10.690 . 11.190 4.019 3.901 4.155 . 0 0 "[ . 1 . 2]" 3
457 1 27 VAL H 1 39 LYS QD 7.780 . 8.280 5.501 5.400 5.570 . 0 0 "[ . 1 . 2]" 3
458 1 26 LYS HA 1 39 LYS QD 10.610 . 11.110 5.654 5.534 5.898 . 0 0 "[ . 1 . 2]" 3
459 1 10 ASN HA 1 39 LYS QD 6.360 . 6.860 5.081 5.062 5.108 . 0 0 "[ . 1 . 2]" 3
460 1 39 LYS QD 1 43 GLY QA . . 6.170 4.493 4.365 4.546 . 0 0 "[ . 1 . 2]" 3
461 1 26 LYS QG 1 39 LYS QD 5.560 . 6.060 4.387 3.832 4.456 . 0 0 "[ . 1 . 2]" 3
462 1 39 LYS QD 1 45 VAL MG2 4.720 . 5.220 2.694 2.418 2.816 . 0 0 "[ . 1 . 2]" 3
463 1 39 LYS QE 1 45 VAL MG1 8.320 . 8.820 5.226 5.004 5.381 . 0 0 "[ . 1 . 2]" 3
464 1 39 LYS QE 1 45 VAL MG2 6.810 . 7.310 3.214 2.867 3.511 . 0 0 "[ . 1 . 2]" 3
465 1 10 ASN HA 1 26 LYS QE 8.320 . 8.820 2.267 2.115 2.599 . 0 0 "[ . 1 . 2]" 3
466 1 26 LYS QE 1 27 VAL H 8.730 . 9.230 3.911 3.779 4.035 . 0 0 "[ . 1 . 2]" 3
467 1 27 VAL HA 1 28 THR H 3.500 . 4.000 2.249 2.234 2.266 . 0 0 "[ . 1 . 2]" 3
468 1 27 VAL HA 1 39 LYS H 5.500 . 6.000 3.934 3.878 4.011 . 0 0 "[ . 1 . 2]" 3
469 1 5 SER QB 1 6 GLU H 7.410 . 7.910 3.178 2.604 3.465 . 0 0 "[ . 1 . 2]" 3
470 1 5 SER QB 1 7 PHE H 8.320 . 8.820 4.441 2.678 5.766 . 0 0 "[ . 1 . 2]" 3
471 1 5 SER QB 1 7 PHE HE1 9.060 . 9.560 2.981 2.144 3.775 . 0 0 "[ . 1 . 2]" 3
472 1 27 VAL HA 1 38 VAL HA 4.500 . 5.000 2.620 2.564 2.686 . 0 0 "[ . 1 . 2]" 3
473 1 27 VAL HA 1 38 VAL HB 5.500 . 6.000 3.839 3.745 4.034 . 0 0 "[ . 1 . 2]" 3
474 1 9 ILE QG 1 27 VAL HA 6.360 . 6.860 3.758 3.728 3.784 . 0 0 "[ . 1 . 2]" 3
475 1 27 VAL HA 1 38 VAL QG 6.070 . 6.570 2.162 2.100 2.247 . 0 0 "[ . 1 . 2]" 3
476 1 13 VAL QG 1 27 VAL HA 8.320 . 8.820 2.112 2.059 2.185 . 0 0 "[ . 1 . 2]" 3
477 1 27 VAL HB 1 28 THR H 5.500 . 6.000 4.167 4.113 4.209 . 0 0 "[ . 1 . 2]" 3
478 1 11 GLU H 1 27 VAL HB 4.500 . 5.000 2.712 2.589 2.943 . 0 0 "[ . 1 . 2]" 3
479 1 26 LYS HA 1 27 VAL HB 5.500 . 6.000 4.740 4.647 4.802 . 0 0 "[ . 1 . 2]" 3
480 1 10 ASN HA 1 27 VAL HB 6.170 . 6.670 4.263 3.880 4.591 . 0 0 "[ . 1 . 2]" 3
481 1 11 GLU QB 1 27 VAL HB 6.170 . 6.670 4.325 4.030 4.472 . 0 0 "[ . 1 . 2]" 3
482 1 26 LYS QB 1 27 VAL HB 6.930 . 7.430 5.605 4.482 5.771 . 0 0 "[ . 1 . 2]" 3
483 1 9 ILE QG 1 27 VAL HB 8.200 . 8.700 3.714 3.576 3.799 . 0 0 "[ . 1 . 2]" 3
484 1 13 VAL QG 1 27 VAL HB 8.320 . 8.820 3.528 3.493 3.560 . 0 0 "[ . 1 . 2]" 3
485 1 27 VAL HB 1 36 TYR HD1 6.170 . 6.670 5.374 5.234 5.551 . 0 0 "[ . 1 . 2]" 3
486 1 27 VAL QG 1 28 THR H 6.070 . 6.570 2.661 2.607 2.729 . 0 0 "[ . 1 . 2]" 3
487 1 10 ASN H 1 27 VAL QG 6.070 . 6.570 3.339 3.100 3.610 . 0 0 "[ . 1 . 2]" 3
488 1 27 VAL QG 1 37 THR H 6.070 . 6.570 3.549 3.472 3.748 . 0 0 "[ . 1 . 2]" 3
489 1 9 ILE H 1 27 VAL QG 7.410 . 7.910 3.421 3.130 3.552 . 0 0 "[ . 1 . 2]" 3
490 1 11 GLU H 1 27 VAL QG . . 6.570 3.326 3.178 3.497 . 0 0 "[ . 1 . 2]" 3
491 1 27 VAL QG 1 29 ALA H 6.070 . 6.570 2.636 2.575 2.697 . 0 0 "[ . 1 . 2]" 3
492 1 27 VAL QG 1 36 TYR HD1 5.940 . 6.440 2.624 2.487 2.927 . 0 0 "[ . 1 . 2]" 3
493 1 26 LYS HA 1 27 VAL QG . . 7.310 3.387 3.201 3.443 . 0 0 "[ . 1 . 2]" 3
494 1 8 GLN HA 1 27 VAL QG . . 8.820 3.092 2.703 3.202 . 0 0 "[ . 1 . 2]" 3
495 1 27 VAL QG 1 29 ALA HA 9.340 . 9.840 3.170 3.058 3.281 . 0 0 "[ . 1 . 2]" 3
496 1 10 ASN HA 1 27 VAL QG 9.340 . 9.840 4.307 4.127 4.429 . 0 0 "[ . 1 . 2]" 3
497 1 27 VAL QG 1 30 VAL HA 7.410 . 7.910 3.979 3.872 4.126 . 0 0 "[ . 1 . 2]" 3
498 1 27 VAL QG 1 36 TYR QB 8.320 . 8.820 4.330 4.144 4.985 . 0 0 "[ . 1 . 2]" 3
499 1 9 ILE QG 1 27 VAL QG 8.320 . 8.820 2.229 2.187 2.321 . 0 0 "[ . 1 . 2]" 3
500 1 26 LYS QG 1 27 VAL QG 10.490 . 10.990 4.225 4.013 4.869 . 0 0 "[ . 1 . 2]" 3
501 1 9 ILE QG 1 27 VAL QG 7.490 . 7.990 2.192 2.116 2.287 . 0 0 "[ . 1 . 2]" 3
502 1 27 VAL QG 1 38 VAL QG . . 6.860 2.685 2.597 2.825 . 0 0 "[ . 1 . 2]" 3
503 1 13 VAL H 1 27 VAL QG 8.320 . 8.820 3.293 3.207 3.451 . 0 0 "[ . 1 . 2]" 3
504 1 8 GLN H 1 27 VAL QG 7.410 . 7.910 4.092 3.649 4.591 . 0 0 "[ . 1 . 2]" 3
505 1 7 PHE HA 1 27 VAL QG 8.320 . 8.820 3.675 3.319 4.015 . 0 0 "[ . 1 . 2]" 3
506 1 10 ASN HA 1 27 VAL QG 8.320 . 8.820 4.269 4.057 4.459 . 0 0 "[ . 1 . 2]" 3
507 1 11 GLU QB 1 27 VAL QG 7.280 . 7.780 3.468 3.160 3.553 . 0 0 "[ . 1 . 2]" 3
508 1 13 VAL HB 1 27 VAL QG 7.410 . 7.910 3.594 3.547 3.638 . 0 0 "[ . 1 . 2]" 3
509 1 27 VAL QG 1 29 ALA MB 9.340 . 9.840 3.770 3.728 3.839 . 0 0 "[ . 1 . 2]" 3
510 1 13 VAL QG 1 27 VAL QG 7.140 . 7.640 1.689 1.677 1.706 0.123 9 0 "[ . 1 . 2]" 3
511 1 7 PHE QB 1 27 VAL QG 7.640 . 8.140 3.298 3.082 3.422 . 0 0 "[ . 1 . 2]" 3
512 1 28 THR MG 1 38 VAL QG 8.750 . 9.250 2.319 2.160 2.609 . 0 0 "[ . 1 . 2]" 3
513 1 48 VAL QG 1 53 VAL QG . . 6.860 1.959 1.916 1.997 . 0 0 "[ . 1 . 2]" 3
514 1 28 THR MG 1 39 LYS QD 4.720 . 5.220 2.996 2.932 3.051 . 0 0 "[ . 1 . 2]" 3
515 1 46 GLN QB 1 48 VAL QG 6.810 . 7.310 2.598 2.314 3.022 . 0 0 "[ . 1 . 2]" 3
516 1 16 SER QB 1 28 THR MG 8.750 . 9.250 3.343 2.978 3.553 . 0 0 "[ . 1 . 2]" 3
517 1 48 VAL QG 1 52 HIS QB 8.320 . 8.820 2.632 2.449 2.717 . 0 0 "[ . 1 . 2]" 3
518 1 17 TRP HA 1 28 THR MG 7.790 . 8.290 2.927 2.840 3.135 . 0 0 "[ . 1 . 2]" 3
519 1 40 PHE HZ 1 48 VAL QG 7.410 . 7.910 4.564 4.015 4.909 . 0 0 "[ . 1 . 2]" 3
520 1 28 THR MG 1 39 LYS H 5.400 . 5.900 2.686 2.618 2.773 . 0 0 "[ . 1 . 2]" 3
521 1 48 VAL QG 1 49 LYS H 6.070 . 6.570 3.100 3.073 3.134 . 0 0 "[ . 1 . 2]" 3
522 1 28 THR MG 1 39 LYS QB 4.720 . 5.220 2.059 2.031 2.103 . 0 0 "[ . 1 . 2]" 3
523 1 10 ASN H 1 28 THR HB 7.500 . 8.000 5.920 5.747 6.095 . 0 0 "[ . 1 . 2]" 3
524 1 28 THR HB 1 39 LYS H 5.500 . 6.000 5.543 5.510 5.562 . 0 0 "[ . 1 . 2]" 3
525 1 28 THR HB 1 29 ALA H 5.500 . 6.000 3.934 3.892 3.977 . 0 0 "[ . 1 . 2]" 3
526 1 9 ILE QG 1 28 THR HB 7.780 . 8.280 4.847 4.770 4.932 . 0 0 "[ . 1 . 2]" 3
527 1 28 THR HB 1 29 ALA MB 7.410 . 7.910 4.087 4.042 4.136 . 0 0 "[ . 1 . 2]" 3
528 1 26 LYS QB 1 28 THR HB 9.450 . 9.950 6.659 6.433 7.425 . 0 0 "[ . 1 . 2]" 3
529 1 9 ILE MD 1 28 THR HB 7.410 . 7.910 4.350 4.167 4.489 . 0 0 "[ . 1 . 2]" 3
530 1 27 VAL HA 1 28 THR HB 6.170 . 6.670 4.015 3.914 4.191 . 0 0 "[ . 1 . 2]" 3
531 1 10 ASN H 1 28 THR HA 5.500 . 6.000 3.425 3.279 3.578 . 0 0 "[ . 1 . 2]" 3
532 1 28 THR HA 1 37 THR H 7.500 . 8.000 6.423 6.367 6.513 . 0 0 "[ . 1 . 2]" 3
533 1 28 THR HA 1 39 LYS H 5.500 . 6.000 5.505 5.439 5.520 . 0 0 "[ . 1 . 2]" 3
534 1 27 VAL H 1 28 THR HA 5.500 . 6.000 5.425 5.359 5.476 . 0 0 "[ . 1 . 2]" 3
535 1 11 GLU H 1 28 THR HA 7.500 . 8.000 5.981 5.814 6.123 . 0 0 "[ . 1 . 2]" 3
536 1 28 THR HA 1 29 ALA H 5.500 . 6.000 3.601 3.586 3.613 . 0 0 "[ . 1 . 2]" 3
537 1 28 THR HA 1 29 ALA HA 5.500 . 6.000 4.533 4.503 4.553 . 0 0 "[ . 1 . 2]" 3
538 1 27 VAL HA 1 28 THR HA 5.500 . 6.000 4.483 4.476 4.496 . 0 0 "[ . 1 . 2]" 3
539 1 9 ILE HA 1 28 THR HA 5.500 . 6.000 4.209 3.784 4.463 . 0 0 "[ . 1 . 2]" 3
540 1 10 ASN QB 1 28 THR HA 8.420 . 8.920 5.683 5.458 5.905 . 0 0 "[ . 1 . 2]" 3
541 1 26 LYS QE 1 28 THR HA 6.930 . 7.430 5.021 4.243 5.882 . 0 0 "[ . 1 . 2]" 3
542 1 9 ILE HB 1 28 THR HA 7.500 . 8.000 5.694 5.370 5.925 . 0 0 "[ . 1 . 2]" 3
543 1 9 ILE QG 1 28 THR HA 7.410 . 7.910 4.242 3.871 4.481 . 0 0 "[ . 1 . 2]" 3
544 1 28 THR HA 1 29 ALA MB 7.410 . 7.910 4.493 4.471 4.511 . 0 0 "[ . 1 . 2]" 3
545 1 26 LYS QG 1 28 THR HA 6.930 . 7.430 4.302 3.959 5.077 . 0 0 "[ . 1 . 2]" 3
546 1 28 THR H 1 29 ALA MB 6.610 . 7.110 4.418 4.357 4.454 . 0 0 "[ . 1 . 2]" 3
547 1 29 ALA MB 1 37 THR H 5.400 . 5.900 3.442 3.275 3.622 . 0 0 "[ . 1 . 2]" 3
548 1 29 ALA MB 1 30 VAL H 4.200 . 4.700 2.426 2.337 2.557 . 0 0 "[ . 1 . 2]" 3
549 1 29 ALA MB 1 36 TYR HA 6.610 . 7.110 4.442 4.308 4.651 . 0 0 "[ . 1 . 2]" 3
550 1 29 ALA MB 1 37 THR HB 4.200 . 4.700 2.247 2.135 2.314 . 0 0 "[ . 1 . 2]" 3
551 1 29 ALA MB 1 37 THR MG 5.050 . 5.550 3.340 3.241 3.384 . 0 0 "[ . 1 . 2]" 3
552 1 9 ILE MD 1 29 ALA MB 8.180 . 8.680 3.100 3.033 3.213 . 0 0 "[ . 1 . 2]" 3
553 1 63 VAL HA 1 64 GLY H 4.500 . 5.000 3.467 2.444 3.662 . 0 0 "[ . 1 . 2]" 3
554 1 63 VAL HA 1 66 ALA HA 5.500 . 6.000 4.658 4.137 5.261 . 0 0 "[ . 1 . 2]" 3
555 1 62 ILE HB 1 63 VAL HA 5.500 . 6.000 4.958 4.237 5.523 . 0 0 "[ . 1 . 2]" 3
556 1 63 VAL HA 1 66 ALA MB 6.610 . 7.110 4.168 2.530 5.532 . 0 0 "[ . 1 . 2]" 3
557 1 30 VAL MG2 1 31 ASN H 5.400 . 5.900 4.177 4.105 4.265 . 0 0 "[ . 1 . 2]" 3
558 1 30 VAL MG2 1 36 TYR QD 6.490 . 6.990 2.705 2.549 2.907 . 0 0 "[ . 1 . 2]" 3
559 1 30 VAL HA 1 31 ASN HA 5.500 . 6.000 4.523 4.508 4.554 . 0 0 "[ . 1 . 2]" 3
560 1 30 VAL QG 1 31 ASN HA 7.410 . 7.910 3.973 3.843 4.060 . 0 0 "[ . 1 . 2]" 3
561 1 31 ASN QB 1 36 TYR H 6.930 . 7.430 4.473 4.312 4.983 . 0 0 "[ . 1 . 2]" 3
562 1 31 ASN QB 1 33 ASP H 6.170 . 6.670 2.948 2.775 3.061 . 0 0 "[ . 1 . 2]" 3
563 1 31 ASN QB 1 35 THR HA 6.170 . 6.670 4.336 4.235 4.726 . 0 0 "[ . 1 . 2]" 3
564 1 30 VAL HA 1 31 ASN QB 6.170 . 6.670 4.377 4.301 4.518 . 0 0 "[ . 1 . 2]" 3
565 1 31 ASN QB 1 47 THR MG 7.410 . 7.910 4.820 4.728 4.871 . 0 0 "[ . 1 . 2]" 3
566 1 31 ASN H 1 32 LYS HA 6.170 . 6.670 3.514 3.408 3.593 . 0 0 "[ . 1 . 2]" 3
567 1 32 LYS HA 1 33 ASP H 5.500 . 6.000 3.499 3.465 3.524 . 0 0 "[ . 1 . 2]" 3
568 1 30 VAL QG 1 32 LYS HA 7.410 . 7.910 4.122 3.863 4.431 . 0 0 "[ . 1 . 2]" 3
569 1 32 LYS HA 1 33 ASP QB 6.170 . 6.670 5.080 5.026 5.129 . 0 0 "[ . 1 . 2]" 3
570 1 32 LYS QB 1 33 ASP H 6.170 . 6.670 3.032 2.921 3.169 . 0 0 "[ . 1 . 2]" 3
571 1 24 PRO QB 1 32 LYS QD 7.280 . 7.780 3.835 2.415 4.836 . 0 0 "[ . 1 . 2]" 3
572 1 24 PRO QB 1 80 LYS QD 8.730 . 9.230 3.864 2.415 4.974 . 0 0 "[ . 1 . 2]" 3
573 1 58 LYS QD 1 59 ASP QB 7.780 . 8.280 5.084 4.297 5.959 . 0 0 "[ . 1 . 2]" 3
574 1 32 LYS QE 1 65 ASN HA 6.170 . 6.670 5.496 5.359 5.527 . 0 0 "[ . 1 . 2]" 3
575 1 36 TYR QB 1 49 LYS HA 6.170 . 6.670 4.096 4.020 4.164 . 0 0 "[ . 1 . 2]" 3
576 1 58 LYS QE 1 71 ALA HA 6.930 . 7.430 5.916 5.075 6.231 . 0 0 "[ . 1 . 2]" 3
577 1 58 LYS QE 1 73 SER QB 6.930 . 7.430 4.492 2.857 5.521 . 0 0 "[ . 1 . 2]" 3
578 1 32 LYS HA 1 32 LYS QE 5.050 . 5.550 3.909 2.666 4.525 . 0 0 "[ . 1 . 2]" 3
579 1 24 PRO QD 1 79 LYS QE 10.300 . 10.800 4.068 3.526 4.997 . 0 0 "[ . 1 . 2]" 3
580 1 78 SER QB 1 79 LYS QE 7.780 . 8.280 4.812 3.648 6.179 . 0 0 "[ . 1 . 2]" 3
581 1 33 ASP HA 1 34 GLY H 5.500 . 6.000 3.535 3.510 3.550 . 0 0 "[ . 1 . 2]" 3
582 1 33 ASP HA 1 35 THR H 5.500 . 6.000 5.295 5.111 5.392 . 0 0 "[ . 1 . 2]" 3
583 1 32 LYS HA 1 33 ASP HA 5.400 . 5.900 4.038 4.029 4.046 . 0 0 "[ . 1 . 2]" 3
584 1 33 ASP HA 1 34 GLY QA 6.170 . 6.670 4.284 4.266 4.304 . 0 0 "[ . 1 . 2]" 3
585 1 32 LYS QB 1 33 ASP HA 6.170 . 6.670 4.420 4.327 4.542 . 0 0 "[ . 1 . 2]" 3
586 1 32 LYS QG 1 33 ASP HA 6.930 . 7.430 4.381 4.085 5.246 . 0 0 "[ . 1 . 2]" 3
587 1 33 ASP HA 1 35 THR MG 6.610 . 7.110 5.514 5.433 5.541 . 0 0 "[ . 1 . 2]" 3
588 1 34 GLY QA 1 35 THR H 6.170 . 6.670 2.918 2.895 2.951 . 0 0 "[ . 1 . 2]" 3
589 1 34 GLY QA 1 36 TYR HD2 . . 9.950 5.036 4.923 5.482 . 0 0 "[ . 1 . 2]" 3
590 1 34 GLY QA 1 35 THR HA 6.170 . 6.670 4.075 4.064 4.088 . 0 0 "[ . 1 . 2]" 3
591 1 34 GLY QA 1 49 LYS HA 6.170 . 6.670 4.904 4.817 5.006 . 0 0 "[ . 1 . 2]" 3
592 1 34 GLY QA 1 50 HIS QB 6.930 . 7.430 3.119 2.898 3.492 . 0 0 "[ . 1 . 2]" 3
593 1 31 ASN QB 1 34 GLY QA 6.930 . 7.430 4.656 4.584 4.779 . 0 0 "[ . 1 . 2]" 3
594 1 33 ASP QB 1 34 GLY QA 6.930 . 7.430 4.223 4.205 4.240 . 0 0 "[ . 1 . 2]" 3
595 1 34 GLY QA 1 35 THR MG 7.410 . 7.910 3.412 3.323 3.568 . 0 0 "[ . 1 . 2]" 3
596 1 35 THR HB 1 48 VAL QG 7.410 . 7.910 4.894 4.845 4.970 . 0 0 "[ . 1 . 2]" 3
597 1 35 THR HB 1 47 THR MG 4.200 . 4.700 2.903 2.632 3.008 . 0 0 "[ . 1 . 2]" 3
598 1 35 THR HB 1 36 TYR QB 6.610 . 7.110 4.350 4.288 4.422 . 0 0 "[ . 1 . 2]" 3
599 1 35 THR HB 1 36 TYR QB 6.170 . 6.670 4.434 4.366 4.499 . 0 0 "[ . 1 . 2]" 3
600 1 35 THR HB 1 47 THR HB 5.500 . 6.000 5.462 5.297 5.514 . 0 0 "[ . 1 . 2]" 3
601 1 35 THR HB 1 49 LYS HA 5.500 . 6.000 3.524 3.356 3.803 . 0 0 "[ . 1 . 2]" 3
602 1 35 THR HB 1 37 THR HA 7.500 . 8.000 6.126 6.021 6.185 . 0 0 "[ . 1 . 2]" 3
603 1 35 THR HB 1 47 THR HA 5.500 . 6.000 5.192 5.069 5.269 . 0 0 "[ . 1 . 2]" 3
604 1 31 ASN QD 1 35 THR HB 6.170 . 6.670 2.897 2.720 3.012 . 0 0 "[ . 1 . 2]" 3
605 1 35 THR HB 1 36 TYR QD 8.420 . 8.920 5.504 5.251 6.196 . 0 0 "[ . 1 . 2]" 3
606 1 35 THR HB 1 50 HIS H 7.500 . 8.000 5.283 5.117 5.683 . 0 0 "[ . 1 . 2]" 3
607 1 35 THR HB 1 36 TYR H 3.500 . 4.000 2.259 2.206 2.329 . 0 0 "[ . 1 . 2]" 3
608 1 35 THR HB 1 48 VAL H 5.500 . 6.000 3.817 3.755 3.918 . 0 0 "[ . 1 . 2]" 3
609 1 35 THR MG 1 36 TYR H 6.070 . 6.570 3.500 3.371 3.564 . 0 0 "[ . 1 . 2]" 3
610 1 35 THR MG 1 50 HIS H 6.610 . 7.110 3.712 3.556 3.942 . 0 0 "[ . 1 . 2]" 3
611 1 34 GLY H 1 35 THR MG 6.610 . 7.110 3.826 3.692 4.079 . 0 0 "[ . 1 . 2]" 3
612 1 35 THR MG 1 49 LYS HA 4.200 . 4.700 2.349 2.264 2.526 . 0 0 "[ . 1 . 2]" 3
613 1 35 THR MG 1 36 TYR QB 7.410 . 7.910 4.959 4.860 5.030 . 0 0 "[ . 1 . 2]" 3
614 1 35 THR MG 1 49 LYS QD 6.810 . 7.310 2.282 2.209 2.620 . 0 0 "[ . 1 . 2]" 3
615 1 35 THR MG 1 49 LYS QG 6.070 . 6.570 2.295 2.222 2.640 . 0 0 "[ . 1 . 2]" 3
616 1 35 THR HA 1 36 TYR H 4.500 . 5.000 2.440 2.362 2.469 . 0 0 "[ . 1 . 2]" 3
617 1 35 THR HA 1 50 HIS H 5.500 . 6.000 3.004 2.825 3.317 . 0 0 "[ . 1 . 2]" 3
618 1 35 THR HA 1 49 LYS HA 4.500 . 5.000 2.154 2.114 2.218 . 0 0 "[ . 1 . 2]" 3
619 1 35 THR HA 1 36 TYR QD 8.420 . 8.920 3.736 3.383 4.948 . 0 0 "[ . 1 . 2]" 3
620 1 36 TYR HA 1 48 VAL H 5.500 . 6.000 4.804 4.761 4.838 . 0 0 "[ . 1 . 2]" 3
621 1 30 VAL H 1 36 TYR HA 5.500 . 6.000 4.863 4.783 4.950 . 0 0 "[ . 1 . 2]" 3
622 1 29 ALA H 1 36 TYR HA 5.500 . 6.000 4.898 4.832 5.044 . 0 0 "[ . 1 . 2]" 3
623 1 31 ASN H 1 36 TYR HA 4.500 . 5.000 3.371 3.146 3.663 . 0 0 "[ . 1 . 2]" 3
624 1 31 ASN QD 1 36 TYR HA 6.610 . 7.110 3.882 3.677 4.103 . 0 0 "[ . 1 . 2]" 3
625 1 36 TYR HA 1 36 TYR HD1 4.500 . 5.000 3.055 2.947 3.258 . 0 0 "[ . 1 . 2]" 3
626 1 31 ASN QD 1 36 TYR HA 6.170 . 6.670 4.034 3.776 4.321 . 0 0 "[ . 1 . 2]" 3
627 1 29 ALA HA 1 36 TYR HA 6.170 . 6.670 5.297 5.254 5.336 . 0 0 "[ . 1 . 2]" 3
628 1 30 VAL HA 1 36 TYR HA 4.500 . 5.000 2.328 2.221 2.425 . 0 0 "[ . 1 . 2]" 3
629 1 36 TYR HA 1 37 THR HB 5.500 . 6.000 4.927 4.849 4.974 . 0 0 "[ . 1 . 2]" 3
630 1 29 ALA MB 1 36 TYR HA 6.930 . 7.430 4.417 4.288 4.615 . 0 0 "[ . 1 . 2]" 3
631 1 9 ILE QG 1 36 TYR HA 8.200 . 8.700 4.321 4.193 4.419 . 0 0 "[ . 1 . 2]" 3
632 1 27 VAL QG 1 36 TYR HA 7.410 . 7.910 4.401 4.171 4.785 . 0 0 "[ . 1 . 2]" 3
633 1 30 VAL QG 1 36 TYR HA 7.410 . 7.910 3.233 2.907 3.423 . 0 0 "[ . 1 . 2]" 3
634 1 36 TYR HA 1 53 VAL QG 7.410 . 7.910 4.367 4.304 4.458 . 0 0 "[ . 1 . 2]" 3
635 1 36 TYR HA 1 38 VAL QG 7.410 . 7.910 4.387 4.250 4.687 . 0 0 "[ . 1 . 2]" 3
636 1 36 TYR QB 1 48 VAL H 6.170 . 6.670 3.406 3.322 3.512 . 0 0 "[ . 1 . 2]" 3
637 1 31 ASN H 1 36 TYR QB 6.930 . 7.430 5.011 4.510 5.245 . 0 0 "[ . 1 . 2]" 3
638 1 35 THR HA 1 36 TYR QB 6.170 . 6.670 3.544 3.391 3.616 . 0 0 "[ . 1 . 2]" 3
639 1 34 GLY QA 1 36 TYR QB 7.410 . 7.910 4.350 4.298 4.393 . 0 0 "[ . 1 . 2]" 3
640 1 30 VAL HA 1 36 TYR QB 6.170 . 6.670 4.417 4.346 4.478 . 0 0 "[ . 1 . 2]" 3
641 1 36 TYR QB 1 48 VAL QG 8.320 . 8.820 2.353 2.172 2.578 . 0 0 "[ . 1 . 2]" 3
642 1 30 VAL QG 1 36 TYR QB 7.640 . 8.140 2.338 2.162 2.553 . 0 0 "[ . 1 . 2]" 3
643 1 36 TYR QB 1 53 VAL QG 8.320 . 8.820 2.207 2.155 2.299 . 0 0 "[ . 1 . 2]" 3
644 1 36 TYR QB 1 38 VAL QG 6.810 . 7.310 2.637 2.483 3.381 . 0 0 "[ . 1 . 2]" 3
645 1 13 VAL QG 1 36 TYR QB 9.340 . 9.840 2.619 2.468 3.334 . 0 0 "[ . 1 . 2]" 3
646 1 37 THR HA 1 48 VAL H 4.500 . 5.000 3.457 3.408 3.533 . 0 0 "[ . 1 . 2]" 3
647 1 37 THR HA 1 38 VAL H 3.500 . 4.000 2.234 2.212 2.249 . 0 0 "[ . 1 . 2]" 3
648 1 37 THR HA 1 47 THR H 5.500 . 6.000 4.752 4.639 4.802 . 0 0 "[ . 1 . 2]" 3
649 1 29 ALA H 1 37 THR HA 5.500 . 6.000 4.529 4.474 4.578 . 0 0 "[ . 1 . 2]" 3
650 1 31 ASN QD 1 37 THR HA 6.930 . 7.430 5.023 4.731 5.450 . 0 0 "[ . 1 . 2]" 3
651 1 37 THR HA 1 47 THR HA . . 4.000 2.245 2.166 2.290 . 0 0 "[ . 1 . 2]" 3
652 1 35 THR HA 1 37 THR HA 6.170 . 6.670 5.289 5.170 5.334 . 0 0 "[ . 1 . 2]" 3
653 1 37 THR HA 1 47 THR HB 5.500 . 6.000 5.129 4.892 5.199 . 0 0 "[ . 1 . 2]" 3
654 1 29 ALA MB 1 37 THR HA 6.930 . 7.430 4.383 4.315 4.462 . 0 0 "[ . 1 . 2]" 3
655 1 37 THR HA 1 48 VAL QG 7.410 . 7.910 3.373 3.138 3.478 . 0 0 "[ . 1 . 2]" 3
656 1 37 THR HA 1 45 VAL MG1 6.610 . 7.110 4.617 4.486 4.746 . 0 0 "[ . 1 . 2]" 3
657 1 37 THR HA 1 38 VAL QG . . 6.570 3.185 3.103 3.247 . 0 0 "[ . 1 . 2]" 3
658 1 28 THR H 1 37 THR HB 5.500 . 6.000 3.690 3.600 3.771 . 0 0 "[ . 1 . 2]" 3
659 1 37 THR HB 1 38 VAL H 5.500 . 6.000 3.969 3.899 4.058 . 0 0 "[ . 1 . 2]" 3
660 1 30 VAL H 1 37 THR HB 5.500 . 6.000 5.341 5.168 5.479 . 0 0 "[ . 1 . 2]" 3
661 1 29 ALA H 1 37 THR HB 4.500 . 5.000 2.458 2.389 2.526 . 0 0 "[ . 1 . 2]" 3
662 1 31 ASN QD 1 37 THR HB 6.170 . 6.670 4.885 4.583 5.069 . 0 0 "[ . 1 . 2]" 3
663 1 37 THR HB 1 47 THR HA 5.500 . 6.000 4.747 4.660 4.833 . 0 0 "[ . 1 . 2]" 3
664 1 28 THR HA 1 37 THR HB 5.500 . 6.000 5.132 5.035 5.291 . 0 0 "[ . 1 . 2]" 3
665 1 29 ALA HA 1 37 THR HB 5.500 . 6.000 4.320 4.250 4.399 . 0 0 "[ . 1 . 2]" 3
666 1 28 THR HB 1 37 THR HB 5.500 . 6.000 4.098 3.983 4.306 . 0 0 "[ . 1 . 2]" 3
667 1 30 VAL HA 1 37 THR HB 5.500 . 6.000 5.491 5.268 5.545 . 0 0 "[ . 1 . 2]" 3
668 1 37 THR HB 1 45 VAL MG1 6.610 . 7.110 4.731 4.576 4.833 . 0 0 "[ . 1 . 2]" 3
669 1 37 THR HB 1 38 VAL QG 7.410 . 7.910 4.558 4.520 4.603 . 0 0 "[ . 1 . 2]" 3
670 1 28 THR H 1 37 THR MG 6.610 . 7.110 4.223 4.073 4.277 . 0 0 "[ . 1 . 2]" 3
671 1 37 THR MG 1 38 VAL H 5.400 . 5.900 2.588 2.497 2.682 . 0 0 "[ . 1 . 2]" 3
672 1 26 LYS H 1 28 THR MG 7.790 . 8.290 3.675 3.592 3.712 . 0 0 "[ . 1 . 2]" 3
673 1 37 THR MG 1 38 VAL HA 6.070 . 6.570 3.881 3.756 3.963 . 0 0 "[ . 1 . 2]" 3
674 1 37 THR MG 1 45 VAL HB 6.610 . 7.110 4.969 4.763 5.092 . 0 0 "[ . 1 . 2]" 3
675 1 29 ALA MB 1 37 THR MG 6.810 . 7.310 3.317 3.222 3.358 . 0 0 "[ . 1 . 2]" 3
676 1 37 THR MG 1 45 VAL MG1 4.040 . 4.540 2.580 2.462 2.678 . 0 0 "[ . 1 . 2]" 3
677 1 28 THR H 1 38 VAL HA 4.500 . 5.000 2.384 2.300 2.510 . 0 0 "[ . 1 . 2]" 3
678 1 13 VAL H 1 38 VAL HA 6.610 . 7.110 4.276 4.233 4.339 . 0 0 "[ . 1 . 2]" 3
679 1 38 VAL HA 1 39 LYS H 3.500 . 4.000 2.267 2.216 2.310 . 0 0 "[ . 1 . 2]" 3
680 1 27 VAL H 1 38 VAL HA 5.500 . 6.000 4.915 4.866 4.962 . 0 0 "[ . 1 . 2]" 3
681 1 26 LYS H 1 38 VAL HA 5.050 . 5.550 3.823 3.778 3.890 . 0 0 "[ . 1 . 2]" 3
682 1 37 THR HA 1 38 VAL HA 5.050 . 5.550 3.994 3.982 4.003 . 0 0 "[ . 1 . 2]" 3
683 1 27 VAL HB 1 38 VAL HA 5.500 . 6.000 5.512 5.442 5.540 . 0 0 "[ . 1 . 2]" 3
684 1 9 ILE QG 1 38 VAL HA 10.610 . 11.110 5.382 5.307 5.527 . 0 0 "[ . 1 . 2]" 3
685 1 28 THR MG 1 38 VAL HA 6.360 . 6.860 2.902 2.814 3.093 . 0 0 "[ . 1 . 2]" 3
686 1 27 VAL QG 1 38 VAL HA 7.410 . 7.910 3.859 3.830 3.898 . 0 0 "[ . 1 . 2]" 3
687 1 25 ALA MB 1 38 VAL HA 6.490 . 6.990 3.563 3.507 3.610 . 0 0 "[ . 1 . 2]" 3
688 1 28 THR H 1 38 VAL HB 6.170 . 6.670 4.365 4.286 4.429 . 0 0 "[ . 1 . 2]" 3
689 1 13 VAL H 1 38 VAL HB 6.610 . 7.110 4.771 4.710 4.834 . 0 0 "[ . 1 . 2]" 3
690 1 38 VAL HB 1 39 LYS H 4.500 . 5.000 2.649 2.497 2.822 . 0 0 "[ . 1 . 2]" 3
691 1 26 LYS H 1 38 VAL HB 6.170 . 6.670 3.854 3.667 4.121 . 0 0 "[ . 1 . 2]" 3
692 1 25 ALA HA 1 38 VAL HB 7.500 . 8.000 4.832 4.724 4.910 . 0 0 "[ . 1 . 2]" 3
693 1 38 VAL HB 1 39 LYS HA 5.500 . 6.000 4.481 4.399 4.555 . 0 0 "[ . 1 . 2]" 3
694 1 27 VAL QG 1 38 VAL HB 7.410 . 7.910 4.539 4.435 4.672 . 0 0 "[ . 1 . 2]" 3
695 1 28 THR H 1 38 VAL QG 7.640 . 8.140 3.198 3.132 3.291 . 0 0 "[ . 1 . 2]" 3
696 1 38 VAL QG 1 48 VAL H 7.410 . 7.910 4.299 4.163 4.516 . 0 0 "[ . 1 . 2]" 3
697 1 36 TYR H 1 38 VAL QG 7.640 . 8.140 3.332 3.262 3.491 . 0 0 "[ . 1 . 2]" 3
698 1 38 VAL QG 1 39 LYS H 6.070 . 6.570 3.313 3.234 3.356 . 0 0 "[ . 1 . 2]" 3
699 1 27 VAL H 1 38 VAL QG 7.410 . 7.910 4.180 4.043 4.327 . 0 0 "[ . 1 . 2]" 3
700 1 26 LYS H 1 38 VAL QG . . 8.820 3.771 3.712 3.858 . 0 0 "[ . 1 . 2]" 3
701 1 36 TYR HE1 1 38 VAL QG . . 8.820 3.339 2.561 3.656 . 0 0 "[ . 1 . 2]" 3
702 1 36 TYR QD 1 38 VAL QG . . 9.400 2.685 2.192 2.986 . 0 0 "[ . 1 . 2]" 3
703 1 15 ALA HA 1 38 VAL QG 7.410 . 7.910 3.906 3.831 4.020 . 0 0 "[ . 1 . 2]" 3
704 1 14 LEU HA 1 38 VAL QG . . 8.820 4.312 4.156 4.443 . 0 0 "[ . 1 . 2]" 3
705 1 25 ALA HA 1 38 VAL QG 9.340 . 9.840 4.374 4.323 4.444 . 0 0 "[ . 1 . 2]" 3
706 1 13 VAL HA 1 38 VAL QG 7.410 . 7.910 5.524 5.511 5.538 . 0 0 "[ . 1 . 2]" 3
707 1 28 THR MG 1 38 VAL QG . . 7.640 2.301 2.150 2.571 . 0 0 "[ . 1 . 2]" 3
708 1 38 VAL QG 1 48 VAL QG 6.360 . 6.860 2.330 2.167 2.637 . 0 0 "[ . 1 . 2]" 3
709 1 25 ALA MB 1 38 VAL QG . . 5.940 2.379 2.325 2.420 . 0 0 "[ . 1 . 2]" 3
710 1 38 VAL QG 1 53 VAL QG 8.180 . 8.680 2.079 1.920 2.231 . 0 0 "[ . 1 . 2]" 3
711 1 13 VAL H 1 38 VAL QG 5.300 . 5.800 3.153 3.092 3.224 . 0 0 "[ . 1 . 2]" 3
712 1 14 LEU H 1 38 VAL QG 7.410 . 7.910 5.243 5.047 5.357 . 0 0 "[ . 1 . 2]" 3
713 1 38 VAL QG 1 47 THR HA 7.410 . 7.910 4.148 3.909 4.280 . 0 0 "[ . 1 . 2]" 3
714 1 38 VAL QG 1 46 GLN QG 8.320 . 8.820 2.256 2.133 2.585 . 0 0 "[ . 1 . 2]" 3
715 1 38 VAL QG 1 46 GLN QB 6.810 . 7.310 4.014 3.909 4.273 . 0 0 "[ . 1 . 2]" 3
716 1 13 VAL HB 1 38 VAL QG 5.670 . 6.170 3.454 3.353 3.545 . 0 0 "[ . 1 . 2]" 3
717 1 39 LYS HA 1 40 PHE H 3.500 . 4.000 2.176 2.154 2.217 . 0 0 "[ . 1 . 2]" 3
718 1 39 LYS HA 1 46 GLN H 5.500 . 6.000 3.889 3.786 4.001 . 0 0 "[ . 1 . 2]" 3
719 1 39 LYS HA 1 45 VAL H 5.500 . 6.000 4.769 4.739 4.800 . 0 0 "[ . 1 . 2]" 3
720 1 39 LYS HA 1 40 PHE QD 6.170 . 6.670 4.212 3.667 4.586 . 0 0 "[ . 1 . 2]" 3
721 1 39 LYS HA 1 45 VAL HA 4.500 . 5.000 2.269 2.202 2.343 . 0 0 "[ . 1 . 2]" 3
722 1 39 LYS HA 1 40 PHE HA 5.500 . 6.000 4.490 4.475 4.502 . 0 0 "[ . 1 . 2]" 3
723 1 39 LYS HA 1 40 PHE QB 6.170 . 6.670 4.366 4.298 4.474 . 0 0 "[ . 1 . 2]" 3
724 1 39 LYS HA 1 45 VAL HB 5.500 . 6.000 4.799 4.721 4.924 . 0 0 "[ . 1 . 2]" 3
725 1 39 LYS HA 1 45 VAL MG2 5.400 . 5.900 2.550 2.411 2.719 . 0 0 "[ . 1 . 2]" 3
726 1 39 LYS HA 1 45 VAL MG1 5.400 . 5.900 3.215 3.007 3.382 . 0 0 "[ . 1 . 2]" 3
727 1 25 ALA MB 1 39 LYS HA 5.400 . 5.900 4.446 4.336 4.509 . 0 0 "[ . 1 . 2]" 3
728 1 38 VAL QG 1 39 LYS HA 7.410 . 7.910 3.903 3.738 4.113 . 0 0 "[ . 1 . 2]" 3
729 1 28 THR H 1 39 LYS QB . . 7.430 3.696 3.662 3.731 . 0 0 "[ . 1 . 2]" 3
730 1 26 LYS H 1 39 LYS QB . . 7.430 3.663 3.565 3.748 . 0 0 "[ . 1 . 2]" 3
731 1 26 LYS HA 1 39 LYS QB 8.900 . 9.400 3.385 3.331 3.436 . 0 0 "[ . 1 . 2]" 3
732 1 38 VAL HA 1 39 LYS QB 6.930 . 7.430 3.427 3.371 3.489 . 0 0 "[ . 1 . 2]" 3
733 1 26 LYS QG 1 39 LYS QB 8.730 . 9.230 3.582 2.660 3.874 . 0 0 "[ . 1 . 2]" 3
734 1 39 LYS QB 1 45 VAL MG2 6.070 . 6.570 2.329 2.298 2.364 . 0 0 "[ . 1 . 2]" 3
735 1 39 LYS QB 1 45 VAL MG1 7.410 . 7.910 2.995 2.822 3.099 . 0 0 "[ . 1 . 2]" 3
736 1 54 LYS QG 1 55 ALA H 6.930 . 7.430 3.427 3.207 3.619 . 0 0 "[ . 1 . 2]" 3
737 1 22 PHE HE1 1 54 LYS QG 8.320 . 8.820 3.787 3.193 4.898 . 0 0 "[ . 1 . 2]" 3
738 1 14 LEU QD 1 54 LYS QG 9.820 . 10.320 2.876 2.508 3.147 . 0 0 "[ . 1 . 2]" 3
739 1 39 LYS QD 1 41 TYR HD1 8.420 . 8.920 6.034 5.542 6.980 . 0 0 "[ . 1 . 2]" 3
740 1 39 LYS QD 1 42 ASP H 8.420 . 8.920 7.316 7.124 7.469 . 0 0 "[ . 1 . 2]" 3
741 1 25 ALA HA 1 39 LYS QD 8.420 . 8.920 7.106 6.928 7.297 . 0 0 "[ . 1 . 2]" 3
742 1 25 ALA MB 1 39 LYS QD 10.110 . 10.610 6.268 6.188 6.365 . 0 0 "[ . 1 . 2]" 3
743 1 39 LYS QE 1 43 GLY QA 6.360 . 6.860 2.577 2.377 2.727 . 0 0 "[ . 1 . 2]" 3
744 1 25 ALA H 1 40 PHE HA 5.500 . 6.000 5.423 5.258 5.538 . 0 0 "[ . 1 . 2]" 3
745 1 40 PHE HA 1 41 TYR H 4.500 . 5.000 2.304 2.248 2.357 . 0 0 "[ . 1 . 2]" 3
746 1 26 LYS H 1 40 PHE HA 5.500 . 6.000 3.501 3.381 3.648 . 0 0 "[ . 1 . 2]" 3
747 1 25 ALA MB 1 40 PHE HA 5.400 . 5.900 2.816 2.611 2.938 . 0 0 "[ . 1 . 2]" 3
748 1 40 PHE HA 1 42 ASP H 5.500 . 6.000 4.254 4.156 4.344 . 0 0 "[ . 1 . 2]" 3
749 1 41 TYR HA 1 43 GLY H 5.500 . 6.000 3.732 3.538 3.875 . 0 0 "[ . 1 . 2]" 3
750 1 41 TYR HA 1 42 ASP H 5.500 . 6.000 3.515 3.492 3.549 . 0 0 "[ . 1 . 2]" 3
751 1 40 PHE HA 1 41 TYR HA 5.500 . 6.000 4.283 4.232 4.345 . 0 0 "[ . 1 . 2]" 3
752 1 25 ALA MB 1 41 TYR HA 9.010 . 9.510 6.092 5.893 6.227 . 0 0 "[ . 1 . 2]" 3
753 1 41 TYR QB 1 42 ASP H 6.930 . 7.430 2.957 2.799 3.052 . 0 0 "[ . 1 . 2]" 3
754 1 40 PHE HA 1 41 TYR QB 6.930 . 7.430 4.708 4.660 4.759 . 0 0 "[ . 1 . 2]" 3
755 1 24 PRO QG 1 41 TYR QB 9.990 . 10.490 4.072 3.950 4.138 . 0 0 "[ . 1 . 2]" 3
756 1 42 ASP HA 1 43 GLY H 4.500 . 5.000 3.513 3.476 3.547 . 0 0 "[ . 1 . 2]" 3
757 1 63 VAL QG 1 66 ALA HA 7.410 . 7.910 5.315 4.783 5.569 . 0 0 "[ . 1 . 2]" 3
758 1 51 ILE HB 1 52 HIS HD2 5.500 . 6.000 4.104 4.016 4.335 . 0 0 "[ . 1 . 2]" 3
759 1 51 ILE HB 1 52 HIS H 5.500 . 6.000 4.270 4.202 4.318 . 0 0 "[ . 1 . 2]" 3
760 1 42 ASP H 1 43 GLY QA 6.170 . 6.670 4.626 4.606 4.648 . 0 0 "[ . 1 . 2]" 3
761 1 43 GLY QA 1 44 VAL H 6.170 . 6.670 2.902 2.651 2.962 . 0 0 "[ . 1 . 2]" 3
762 1 43 GLY QA 1 44 VAL HA 6.170 . 6.670 4.136 4.091 4.163 . 0 0 "[ . 1 . 2]" 3
763 1 39 LYS QG 1 43 GLY QA 6.930 . 7.430 3.384 3.315 3.447 . 0 0 "[ . 1 . 2]" 3
764 1 39 LYS QD 1 43 GLY QA . . 8.280 3.291 3.219 3.345 . 0 0 "[ . 1 . 2]" 3
765 1 43 GLY QA 1 45 VAL MG2 7.410 . 7.910 4.044 3.965 4.133 . 0 0 "[ . 1 . 2]" 3
766 1 43 GLY QA 1 44 VAL QG 8.320 . 8.820 3.839 3.539 3.936 . 0 0 "[ . 1 . 2]" 3
767 1 40 PHE QB 1 43 GLY QA 8.320 . 8.820 4.541 4.415 4.753 . 0 0 "[ . 1 . 2]" 3
768 1 39 LYS HA 1 43 GLY QA 8.420 . 8.920 5.618 5.510 5.727 . 0 0 "[ . 1 . 2]" 3
769 1 44 VAL HA 1 45 VAL H 3.500 . 4.000 2.266 2.232 2.302 . 0 0 "[ . 1 . 2]" 3
770 1 5 SER QB 1 6 GLU H 6.170 . 6.670 3.516 2.651 3.983 . 0 0 "[ . 1 . 2]" 3
771 1 5 SER QB 1 7 PHE HE1 5.670 . 6.170 3.174 2.152 4.510 . 0 0 "[ . 1 . 2]" 3
772 1 44 VAL HA 1 45 VAL HA 5.500 . 6.000 4.513 4.482 4.532 . 0 0 "[ . 1 . 2]" 3
773 1 68 GLY QA 1 69 SER QB 4.410 . 4.910 3.602 3.548 3.633 . 0 0 "[ . 1 . 2]" 3
774 1 44 VAL HA 1 45 VAL HB 4.500 . 5.000 4.535 4.513 4.550 . 0 0 "[ . 1 . 2]" 3
775 1 28 THR H 1 44 VAL QG 9.340 . 9.840 3.918 3.845 3.997 . 0 0 "[ . 1 . 2]" 3
776 1 38 VAL H 1 53 VAL QG . . 7.310 2.389 2.255 2.448 . 0 0 "[ . 1 . 2]" 3
777 1 36 TYR H 1 53 VAL QG 10.690 . 11.190 3.552 3.489 3.711 . 0 0 "[ . 1 . 2]" 3
778 1 44 VAL QG 1 45 VAL H 6.070 . 6.570 2.440 2.380 2.531 . 0 0 "[ . 1 . 2]" 3
779 1 43 GLY H 1 44 VAL QG 7.410 . 7.910 3.873 3.487 4.004 . 0 0 "[ . 1 . 2]" 3
780 1 52 HIS H 1 53 VAL QG 7.410 . 7.910 3.559 3.459 3.715 . 0 0 "[ . 1 . 2]" 3
781 1 36 TYR QD 1 53 VAL QG 6.800 . 7.300 2.619 2.441 2.720 . 0 0 "[ . 1 . 2]" 3
782 1 50 HIS HA 1 53 VAL QG . . 6.570 4.067 3.967 4.152 . 0 0 "[ . 1 . 2]" 3
783 1 40 PHE QB 1 44 VAL QG 8.320 . 8.820 3.335 3.272 3.420 . 0 0 "[ . 1 . 2]" 3
784 1 36 TYR QB 1 53 VAL QG 8.180 . 8.680 2.159 2.091 2.271 . 0 0 "[ . 1 . 2]" 3
785 1 44 VAL QG 1 46 GLN QB 6.810 . 7.310 3.380 3.144 3.748 . 0 0 "[ . 1 . 2]" 3
786 1 8 GLN QG 1 30 VAL MG2 7.070 . 7.570 3.986 3.513 4.157 . 0 0 "[ . 1 . 2]" 3
787 1 40 PHE H 1 45 VAL HA 4.500 . 5.000 3.395 3.283 3.491 . 0 0 "[ . 1 . 2]" 3
788 1 45 VAL HA 1 46 GLN H 3.500 . 4.000 2.312 2.292 2.331 . 0 0 "[ . 1 . 2]" 3
789 1 38 VAL H 1 45 VAL HA 5.500 . 6.000 4.481 4.392 4.567 . 0 0 "[ . 1 . 2]" 3
790 1 39 LYS H 1 45 VAL HA 5.500 . 6.000 4.793 4.766 4.843 . 0 0 "[ . 1 . 2]" 3
791 1 40 PHE QD 1 45 VAL HA 5.500 . 6.000 4.144 3.721 4.425 . 0 0 "[ . 1 . 2]" 3
792 1 45 VAL HA 1 46 GLN HA 5.500 . 6.000 4.533 4.522 4.548 . 0 0 "[ . 1 . 2]" 3
793 1 45 VAL HA 1 46 GLN QB 6.170 . 6.670 4.430 4.388 4.490 . 0 0 "[ . 1 . 2]" 3
794 1 39 LYS QD 1 45 VAL HA 6.170 . 6.670 5.132 4.856 5.352 . 0 0 "[ . 1 . 2]" 3
795 1 39 LYS QB 1 45 VAL HA 6.170 . 6.670 3.754 3.664 3.862 . 0 0 "[ . 1 . 2]" 3
796 1 28 THR MG 1 45 VAL HA 6.610 . 7.110 3.516 3.376 3.654 . 0 0 "[ . 1 . 2]" 3
797 1 44 VAL QG 1 45 VAL HA 7.410 . 7.910 3.669 3.586 3.861 . 0 0 "[ . 1 . 2]" 3
798 1 38 VAL QG 1 45 VAL HA 7.410 . 7.910 4.034 3.946 4.142 . 0 0 "[ . 1 . 2]" 3
799 1 45 VAL HB 1 46 GLN H 5.500 . 6.000 4.035 3.981 4.109 . 0 0 "[ . 1 . 2]" 3
800 1 45 VAL H 1 45 VAL HB 3.500 . 4.000 2.704 2.656 2.742 . 0 0 "[ . 1 . 2]" 3
801 1 45 VAL HB 1 46 GLN QG 8.420 . 8.920 5.759 5.536 5.860 . 0 0 "[ . 1 . 2]" 3
802 1 28 THR MG 1 45 VAL HB 8.070 . 8.570 4.153 4.074 4.214 . 0 0 "[ . 1 . 2]" 3
803 1 44 VAL QG 1 45 VAL HB 7.410 . 7.910 4.523 4.461 4.671 . 0 0 "[ . 1 . 2]" 3
804 1 46 GLN HA 1 47 THR H 3.500 . 4.000 2.318 2.286 2.373 . 0 0 "[ . 1 . 2]" 3
805 1 36 TYR HD2 1 54 LYS HA 5.050 . 5.550 4.060 3.573 4.350 . 0 0 "[ . 1 . 2]" 3
806 1 46 GLN HA 1 47 THR HB 5.500 . 6.000 4.891 4.728 4.935 . 0 0 "[ . 1 . 2]" 3
807 1 45 VAL MG1 1 46 GLN HA 6.610 . 7.110 3.574 3.426 3.660 . 0 0 "[ . 1 . 2]" 3
808 1 47 THR HA 1 48 VAL H 3.500 . 4.000 2.225 2.182 2.272 . 0 0 "[ . 1 . 2]" 3
809 1 38 VAL H 1 47 THR HA 4.500 . 5.000 3.797 3.721 3.869 . 0 0 "[ . 1 . 2]" 3
810 1 36 TYR H 1 47 THR HA 6.610 . 7.110 4.006 3.932 4.038 . 0 0 "[ . 1 . 2]" 3
811 1 31 ASN QD 1 47 THR HA 6.930 . 7.430 4.922 4.721 5.308 . 0 0 "[ . 1 . 2]" 3
812 1 31 ASN QD 1 47 THR HA 6.170 . 6.670 5.157 4.942 5.500 . 0 0 "[ . 1 . 2]" 3
813 1 47 THR HA 1 48 VAL HA 5.500 . 6.000 4.539 4.525 4.568 . 0 0 "[ . 1 . 2]" 3
814 1 27 VAL HA 1 47 THR HA 6.170 . 6.670 4.718 4.635 4.799 . 0 0 "[ . 1 . 2]" 3
815 1 36 TYR QB 1 47 THR HA 6.610 . 7.110 4.362 4.257 4.471 . 0 0 "[ . 1 . 2]" 3
816 1 46 GLN QB 1 47 THR HA 6.170 . 6.670 4.417 4.307 4.510 . 0 0 "[ . 1 . 2]" 3
817 1 29 ALA MB 1 47 THR HA 9.450 . 9.950 5.546 5.438 5.677 . 0 0 "[ . 1 . 2]" 3
818 1 47 THR HA 1 48 VAL QG 7.410 . 7.910 3.028 2.952 3.065 . 0 0 "[ . 1 . 2]" 3
819 1 45 VAL MG1 1 47 THR HA 6.610 . 7.110 5.149 5.026 5.274 . 0 0 "[ . 1 . 2]" 3
820 1 47 THR HB 1 48 VAL H 5.500 . 6.000 3.998 3.853 4.070 . 0 0 "[ . 1 . 2]" 3
821 1 38 VAL H 1 47 THR HB 7.500 . 8.000 6.566 6.394 6.655 . 0 0 "[ . 1 . 2]" 3
822 1 36 TYR H 1 47 THR HB 6.610 . 7.110 5.476 5.376 5.522 . 0 0 "[ . 1 . 2]" 3
823 1 47 THR H 1 47 THR HB 3.500 . 4.000 2.738 2.610 2.814 . 0 0 "[ . 1 . 2]" 3
824 1 31 ASN QD 1 47 THR HB 6.170 . 6.670 5.527 5.516 5.536 . 0 0 "[ . 1 . 2]" 3
825 1 46 GLN QG 1 47 THR HB 8.420 . 8.920 5.919 5.710 6.217 . 0 0 "[ . 1 . 2]" 3
826 1 46 GLN QB 1 47 THR HB 6.170 . 6.670 5.027 4.855 5.104 . 0 0 "[ . 1 . 2]" 3
827 1 47 THR HB 1 48 VAL QG 7.410 . 7.910 4.454 4.405 4.569 . 0 0 "[ . 1 . 2]" 3
828 1 47 THR MG 1 48 VAL H 5.400 . 5.900 2.632 2.472 2.705 . 0 0 "[ . 1 . 2]" 3
829 1 38 VAL H 1 47 THR MG 6.610 . 7.110 5.163 5.027 5.326 . 0 0 "[ . 1 . 2]" 3
830 1 36 TYR H 1 47 THR MG 6.070 . 6.570 3.244 3.049 3.314 . 0 0 "[ . 1 . 2]" 3
831 1 31 ASN QD 1 47 THR MG 6.070 . 6.570 2.850 2.792 2.942 . 0 0 "[ . 1 . 2]" 3
832 1 37 THR HA 1 47 THR MG 5.400 . 5.900 3.349 3.214 3.498 . 0 0 "[ . 1 . 2]" 3
833 1 36 TYR QB 1 47 THR MG 7.930 . 8.430 4.366 4.210 4.451 . 0 0 "[ . 1 . 2]" 3
834 1 48 VAL HA 1 49 LYS H 3.500 . 4.000 2.653 2.566 2.702 . 0 0 "[ . 1 . 2]" 3
835 1 48 VAL HA 1 49 LYS HA 4.500 . 5.000 4.361 4.330 4.410 . 0 0 "[ . 1 . 2]" 3
836 1 48 VAL HA 1 49 LYS QD 7.410 . 7.910 3.294 3.178 3.585 . 0 0 "[ . 1 . 2]" 3
837 1 48 VAL HA 1 49 LYS QB 6.170 . 6.670 4.551 4.473 4.724 . 0 0 "[ . 1 . 2]" 3
838 1 48 VAL HB 1 49 LYS H 4.500 . 5.000 2.198 2.134 2.342 . 0 0 "[ . 1 . 2]" 3
839 1 16 SER H 1 48 VAL HB 5.500 . 6.000 5.367 5.106 5.528 . 0 0 "[ . 1 . 2]" 3
840 1 48 VAL HB 1 52 HIS H 5.500 . 6.000 4.481 4.395 4.543 . 0 0 "[ . 1 . 2]" 3
841 1 48 VAL HB 1 52 HIS HD2 5.500 . 6.000 5.324 5.245 5.509 . 0 0 "[ . 1 . 2]" 3
842 1 48 VAL HB 1 49 LYS HA 5.500 . 6.000 4.705 4.641 4.783 . 0 0 "[ . 1 . 2]" 3
843 1 48 VAL HB 1 52 HIS QB 5.050 . 5.550 2.137 2.092 2.222 . 0 0 "[ . 1 . 2]" 3
844 1 48 VAL HB 1 49 LYS QB 6.170 . 6.670 4.343 4.281 4.450 . 0 0 "[ . 1 . 2]" 3
845 1 48 VAL HB 1 53 VAL QG 7.410 . 7.910 3.092 2.688 3.544 . 0 0 "[ . 1 . 2]" 3
846 1 38 VAL QG 1 48 VAL HB 7.410 . 7.910 4.644 4.368 5.038 . 0 0 "[ . 1 . 2]" 3
847 1 38 VAL H 1 48 VAL QG 7.410 . 7.910 3.690 3.441 3.898 . 0 0 "[ . 1 . 2]" 3
848 1 36 TYR H 1 48 VAL QG 7.640 . 8.140 2.915 2.885 2.942 . 0 0 "[ . 1 . 2]" 3
849 1 36 TYR HD2 1 48 VAL QG 7.410 . 7.910 4.665 4.366 5.091 . 0 0 "[ . 1 . 2]" 3
850 1 35 THR HA 1 48 VAL QG 9.340 . 9.840 4.022 3.924 4.177 . 0 0 "[ . 1 . 2]" 3
851 1 49 LYS HA 1 50 HIS H 4.500 . 5.000 2.427 2.388 2.452 . 0 0 "[ . 1 . 2]" 3
852 1 36 TYR QD 1 49 LYS HA 9.010 . 9.510 4.537 4.176 5.523 . 0 0 "[ . 1 . 2]" 3
853 1 49 LYS HA 1 51 ILE H 5.500 . 6.000 4.379 4.311 4.450 . 0 0 "[ . 1 . 2]" 3
854 1 48 VAL HA 1 49 LYS HA 6.170 . 6.670 4.327 4.297 4.374 . 0 0 "[ . 1 . 2]" 3
855 1 34 GLY QA 1 49 LYS HA 6.610 . 7.110 3.447 3.302 3.682 . 0 0 "[ . 1 . 2]" 3
856 1 49 LYS HA 1 50 HIS QB 6.170 . 6.670 4.278 4.218 4.335 . 0 0 "[ . 1 . 2]" 3
857 1 49 LYS QB 1 50 HIS H 6.170 . 6.670 2.477 2.438 2.508 . 0 0 "[ . 1 . 2]" 3
858 1 49 LYS QB 1 51 ILE H 6.170 . 6.670 2.594 2.527 2.677 . 0 0 "[ . 1 . 2]" 3
859 1 48 VAL HA 1 49 LYS QB . . 7.430 4.265 4.229 4.349 . 0 0 "[ . 1 . 2]" 3
860 1 36 TYR QB 1 49 LYS QB 9.450 . 9.950 5.312 5.029 5.428 . 0 0 "[ . 1 . 2]" 3
861 1 36 TYR QB 1 49 LYS QB 7.410 . 7.910 4.157 4.070 4.258 . 0 0 "[ . 1 . 2]" 3
862 1 35 THR MG 1 49 LYS QB 8.900 . 9.400 3.413 3.291 3.664 . 0 0 "[ . 1 . 2]" 3
863 1 49 LYS QB 1 51 ILE MG . . 6.570 3.685 3.595 3.733 . 0 0 "[ . 1 . 2]" 3
864 1 49 LYS QB 1 51 ILE QG 6.930 . 7.430 2.072 2.047 2.100 . 0 0 "[ . 1 . 2]" 3
865 1 49 LYS QB 1 51 ILE MD 7.410 . 7.910 3.139 3.095 3.166 . 0 0 "[ . 1 . 2]" 3
866 1 49 LYS QB 1 52 HIS QB 6.930 . 7.430 3.736 3.679 3.794 . 0 0 "[ . 1 . 2]" 3
867 1 36 TYR QB 1 49 LYS QG 6.930 . 7.430 5.548 5.538 5.561 . 0 0 "[ . 1 . 2]" 3
868 1 36 TYR QB 1 49 LYS QG . . 7.910 4.216 4.137 4.402 . 0 0 "[ . 1 . 2]" 3
869 1 49 LYS QG 1 51 ILE HB 8.420 . 8.920 6.598 6.540 6.682 . 0 0 "[ . 1 . 2]" 3
870 1 49 LYS QG 1 51 ILE MG 7.410 . 7.910 5.433 5.326 5.496 . 0 0 "[ . 1 . 2]" 3
871 1 50 HIS HA 1 52 HIS H 5.500 . 6.000 3.594 3.501 3.756 . 0 0 "[ . 1 . 2]" 3
872 1 50 HIS HA 1 53 VAL H 5.500 . 6.000 3.317 3.059 3.632 . 0 0 "[ . 1 . 2]" 3
873 1 36 TYR HD2 1 50 HIS HA 3.930 . 4.430 2.285 2.143 2.392 . 0 0 "[ . 1 . 2]" 3
874 1 50 HIS HA 1 51 ILE H 5.500 . 6.000 3.626 3.614 3.638 . 0 0 "[ . 1 . 2]" 3
875 1 50 HIS HA 1 53 VAL HB 6.610 . 7.110 3.523 3.394 3.781 . 0 0 "[ . 1 . 2]" 3
876 1 35 THR MG 1 50 HIS HA 8.430 . 8.930 4.859 4.645 4.951 . 0 0 "[ . 1 . 2]" 3
877 1 48 VAL QG 1 50 HIS HA 7.410 . 7.910 5.394 4.957 5.508 . 0 0 "[ . 1 . 2]" 3
878 1 50 HIS QB 1 51 ILE H 6.170 . 6.670 2.748 2.701 2.799 . 0 0 "[ . 1 . 2]" 3
879 1 35 THR HA 1 50 HIS QB 6.930 . 7.430 4.140 3.917 4.464 . 0 0 "[ . 1 . 2]" 3
880 1 50 HIS QB 1 51 ILE HA 6.170 . 6.670 4.463 4.415 4.516 . 0 0 "[ . 1 . 2]" 3
881 1 35 THR HB 1 50 HIS QB 7.780 . 8.280 4.379 4.318 4.428 . 0 0 "[ . 1 . 2]" 3
882 1 32 LYS HA 1 50 HIS QB 7.410 . 7.910 3.113 2.894 3.487 . 0 0 "[ . 1 . 2]" 3
883 1 49 LYS QB 1 50 HIS QB 6.930 . 7.430 3.704 3.652 3.754 . 0 0 "[ . 1 . 2]" 3
884 1 49 LYS QD 1 50 HIS QB 8.730 . 9.230 4.598 4.550 4.660 . 0 0 "[ . 1 . 2]" 3
885 1 49 LYS QG 1 50 HIS QB 9.700 . 10.200 4.627 4.555 4.716 . 0 0 "[ . 1 . 2]" 3
886 1 49 LYS QG 1 50 HIS QB 6.930 . 7.430 5.248 5.159 5.324 . 0 0 "[ . 1 . 2]" 3
887 1 35 THR MG 1 50 HIS QB 10.110 . 10.610 4.780 4.605 5.066 . 0 0 "[ . 1 . 2]" 3
888 1 50 HIS QB 1 51 ILE MG 7.410 . 7.910 3.547 3.500 3.604 . 0 0 "[ . 1 . 2]" 3
889 1 51 ILE HA 1 52 HIS H 5.500 . 6.000 3.397 3.357 3.470 . 0 0 "[ . 1 . 2]" 3
890 1 51 ILE HA 1 53 VAL H 5.500 . 6.000 4.102 3.927 4.247 . 0 0 "[ . 1 . 2]" 3
891 1 36 TYR HD2 1 51 ILE HA 6.170 . 6.670 4.811 4.573 4.939 . 0 0 "[ . 1 . 2]" 3
892 1 51 ILE HA 1 53 VAL HA 7.500 . 8.000 6.708 6.528 6.774 . 0 0 "[ . 1 . 2]" 3
893 1 51 ILE HA 1 54 LYS HA 7.500 . 8.000 7.427 7.136 7.527 . 0 0 "[ . 1 . 2]" 3
894 1 49 LYS QG 1 51 ILE HA 7.190 . 7.690 5.324 5.192 5.422 . 0 0 "[ . 1 . 2]" 3
895 1 51 ILE QG 1 52 HIS H 6.170 . 6.670 2.999 2.833 3.109 . 0 0 "[ . 1 . 2]" 3
896 1 51 ILE QG 1 52 HIS HD2 6.170 . 6.670 3.052 3.004 3.104 . 0 0 "[ . 1 . 2]" 3
897 1 48 VAL HA 1 51 ILE QG 7.780 . 8.280 3.993 3.787 4.091 . 0 0 "[ . 1 . 2]" 3
898 1 49 LYS QD 1 51 ILE QG 9.990 . 10.490 2.764 2.639 2.837 . 0 0 "[ . 1 . 2]" 3
899 1 51 ILE QG 1 52 HIS HA 6.170 . 6.670 4.045 3.814 4.157 . 0 0 "[ . 1 . 2]" 3
900 1 51 ILE MD 1 52 HIS H 6.610 . 7.110 4.667 4.521 4.763 . 0 0 "[ . 1 . 2]" 3
901 1 51 ILE MD 1 52 HIS HD2 6.610 . 7.110 3.661 3.577 3.735 . 0 0 "[ . 1 . 2]" 3
902 1 51 ILE H 1 51 ILE MD 5.400 . 5.900 3.779 3.758 3.798 . 0 0 "[ . 1 . 2]" 3
903 1 49 LYS QG 1 51 ILE MD 7.410 . 7.910 4.244 4.217 4.319 . 0 0 "[ . 1 . 2]" 3
904 1 50 HIS H 1 51 ILE MG 6.610 . 7.110 4.536 4.488 4.574 . 0 0 "[ . 1 . 2]" 3
905 1 51 ILE MG 1 52 HIS H 6.610 . 7.110 4.352 4.328 4.368 . 0 0 "[ . 1 . 2]" 3
906 1 50 HIS HE1 1 51 ILE MG 6.610 . 7.110 5.137 4.577 5.504 . 0 0 "[ . 1 . 2]" 3
907 1 51 ILE MG 1 52 HIS HE1 9.010 . 9.510 6.202 6.151 6.249 . 0 0 "[ . 1 . 2]" 3
908 1 51 ILE MG 1 53 VAL H 6.610 . 7.110 5.460 5.392 5.507 . 0 0 "[ . 1 . 2]" 3
909 1 50 HIS HD2 1 51 ILE MG 6.610 . 7.110 5.443 5.317 5.507 . 0 0 "[ . 1 . 2]" 3
910 1 51 ILE MG 1 52 HIS HA 6.610 . 7.110 5.601 5.569 5.618 . 0 0 "[ . 1 . 2]" 3
911 1 49 LYS HA 1 51 ILE MG 7.410 . 7.910 4.817 4.791 4.841 . 0 0 "[ . 1 . 2]" 3
912 1 49 LYS QD 1 51 ILE MG 7.280 . 7.780 4.150 4.048 4.227 . 0 0 "[ . 1 . 2]" 3
913 1 49 LYS H 1 52 HIS QB 6.170 . 6.670 2.633 2.531 2.847 . 0 0 "[ . 1 . 2]" 3
914 1 16 SER H 1 52 HIS QB 6.170 . 6.670 3.088 2.953 3.190 . 0 0 "[ . 1 . 2]" 3
915 1 52 HIS QB 1 53 VAL H 6.170 . 6.670 3.307 3.219 3.373 . 0 0 "[ . 1 . 2]" 3
916 1 22 PHE HE1 1 52 HIS QB 6.170 . 6.670 4.273 3.892 4.504 . 0 0 "[ . 1 . 2]" 3
917 1 15 ALA MB 1 52 HIS QB 7.410 . 7.910 4.309 4.161 4.414 . 0 0 "[ . 1 . 2]" 3
918 1 52 HIS QB 1 53 VAL QG 8.320 . 8.820 2.389 2.272 2.519 . 0 0 "[ . 1 . 2]" 3
919 1 16 SER H 1 52 HIS HA 5.500 . 6.000 3.778 3.689 3.897 . 0 0 "[ . 1 . 2]" 3
920 1 52 HIS HA 1 53 VAL H 4.500 . 5.000 3.431 3.390 3.483 . 0 0 "[ . 1 . 2]" 3
921 1 22 PHE HE1 1 52 HIS HA 5.500 . 6.000 3.090 2.501 3.396 . 0 0 "[ . 1 . 2]" 3
922 1 15 ALA HA 1 52 HIS HA 7.500 . 8.000 5.107 5.014 5.203 . 0 0 "[ . 1 . 2]" 3
923 1 51 ILE HA 1 52 HIS HA 5.500 . 6.000 4.591 4.549 4.654 . 0 0 "[ . 1 . 2]" 3
924 1 51 ILE MG 1 52 HIS HA 7.930 . 8.430 3.979 3.960 4.002 . 0 0 "[ . 1 . 2]" 3
925 1 53 VAL HA 1 54 LYS H 4.500 . 5.000 2.218 2.188 2.245 . 0 0 "[ . 1 . 2]" 3
926 1 16 SER H 1 53 VAL HA 5.500 . 6.000 3.616 3.541 3.744 . 0 0 "[ . 1 . 2]" 3
927 1 22 PHE HD1 1 53 VAL HA 5.500 . 6.000 3.916 3.605 4.557 . 0 0 "[ . 1 . 2]" 3
928 1 14 LEU QB 1 53 VAL HA 5.880 . 6.380 3.367 3.322 3.419 . 0 0 "[ . 1 . 2]" 3
929 1 53 VAL HA 1 54 LYS QD 6.170 . 6.670 5.522 5.445 5.553 . 0 0 "[ . 1 . 2]" 3
930 1 38 VAL H 1 53 VAL HB 6.170 . 6.670 3.975 3.843 4.023 . 0 0 "[ . 1 . 2]" 3
931 1 53 VAL HB 1 61 ASN QD 8.420 . 8.920 4.425 3.722 4.933 . 0 0 "[ . 1 . 2]" 3
932 1 52 HIS HA 1 53 VAL HB 7.500 . 8.000 5.821 5.798 5.870 . 0 0 "[ . 1 . 2]" 3
933 1 50 HIS HA 1 53 VAL HB 5.500 . 6.000 3.557 3.428 3.807 . 0 0 "[ . 1 . 2]" 3
934 1 13 VAL HB 1 53 VAL HB 6.610 . 7.110 4.947 4.860 5.063 . 0 0 "[ . 1 . 2]" 3
935 1 48 VAL QG 1 53 VAL HB 7.780 . 8.280 3.798 3.626 3.890 . 0 0 "[ . 1 . 2]" 3
936 1 48 VAL QG 1 53 VAL HB 7.410 . 7.910 3.855 3.668 3.951 . 0 0 "[ . 1 . 2]" 3
937 1 49 LYS QB 1 53 VAL HB 6.930 . 7.430 5.051 4.993 5.135 . 0 0 "[ . 1 . 2]" 3
938 1 13 VAL H 1 53 VAL QG 8.320 . 8.820 3.886 3.763 4.200 . 0 0 "[ . 1 . 2]" 3
939 1 14 LEU H 1 53 VAL QG 6.070 . 6.570 3.482 3.264 3.574 . 0 0 "[ . 1 . 2]" 3
940 1 53 VAL QG 1 61 ASN QD 6.810 . 7.310 3.825 3.408 4.250 . 0 0 "[ . 1 . 2]" 3
941 1 22 PHE HA 1 53 VAL QG 8.320 . 8.820 3.287 3.233 3.346 . 0 0 "[ . 1 . 2]" 3
942 1 13 VAL HA 1 53 VAL QG 7.410 . 7.910 4.431 4.321 4.550 . 0 0 "[ . 1 . 2]" 3
943 1 49 LYS HA 1 53 VAL QG 8.900 . 9.400 3.737 3.658 3.814 . 0 0 "[ . 1 . 2]" 3
944 1 27 VAL QG 1 53 VAL QG 9.990 . 10.490 3.312 3.144 3.405 . 0 0 "[ . 1 . 2]" 3
945 1 54 LYS QB 1 55 ALA H 5.050 . 5.550 2.264 2.134 2.469 . 0 0 "[ . 1 . 2]" 3
946 1 36 TYR HE2 1 54 LYS QB 6.170 . 6.670 5.517 5.210 5.583 . 0 0 "[ . 1 . 2]" 3
947 1 22 PHE HE1 1 54 LYS QB 6.930 . 7.430 4.645 4.350 5.133 . 0 0 "[ . 1 . 2]" 3
948 1 50 HIS HD2 1 54 LYS QB 6.170 . 6.670 4.150 3.455 4.737 . 0 0 "[ . 1 . 2]" 3
949 1 54 LYS H 1 54 LYS QE 6.170 . 6.670 4.699 4.550 4.807 . 0 0 "[ . 1 . 2]" 3
950 1 54 LYS QE 1 55 ALA H 6.170 . 6.670 5.370 5.081 5.533 . 0 0 "[ . 1 . 2]" 3
951 1 22 PHE HE1 1 54 LYS QE 6.170 . 6.670 4.391 3.662 5.448 . 0 0 "[ . 1 . 2]" 3
952 1 54 LYS QE 1 56 PHE HD1 8.420 . 8.920 6.690 6.216 7.332 . 0 0 "[ . 1 . 2]" 3
953 1 22 PHE HD1 1 54 LYS QE 6.170 . 6.670 4.626 3.950 5.525 . 0 0 "[ . 1 . 2]" 3
954 1 22 PHE HE1 1 54 LYS QE 7.780 . 8.280 4.351 3.655 5.318 . 0 0 "[ . 1 . 2]" 3
955 1 54 LYS H 1 55 ALA HA 5.500 . 6.000 5.057 5.004 5.123 . 0 0 "[ . 1 . 2]" 3
956 1 55 ALA HA 1 56 PHE H 3.500 . 4.000 2.502 2.462 2.532 . 0 0 "[ . 1 . 2]" 3
957 1 7 PHE HE1 1 55 ALA HA 6.070 . 6.570 4.318 4.081 4.454 . 0 0 "[ . 1 . 2]" 3
958 1 7 PHE HD2 1 55 ALA HA 5.500 . 6.000 4.181 3.628 4.684 . 0 0 "[ . 1 . 2]" 3
959 1 12 GLN HA 1 55 ALA HA 6.170 . 6.670 4.365 4.319 4.416 . 0 0 "[ . 1 . 2]" 3
960 1 55 ALA HA 1 56 PHE QB 6.170 . 6.670 4.364 4.304 4.429 . 0 0 "[ . 1 . 2]" 3
961 1 55 ALA HA 1 56 PHE QB 6.930 . 7.430 4.273 4.216 4.330 . 0 0 "[ . 1 . 2]" 3
962 1 13 VAL HB 1 55 ALA HA 5.500 . 6.000 4.032 3.880 4.141 . 0 0 "[ . 1 . 2]" 3
963 1 53 VAL HB 1 55 ALA HA 6.610 . 7.110 4.646 4.591 4.680 . 0 0 "[ . 1 . 2]" 3
964 1 54 LYS QG 1 55 ALA HA 6.930 . 7.430 4.755 4.647 4.868 . 0 0 "[ . 1 . 2]" 3
965 1 14 LEU QD 1 55 ALA HA 8.900 . 9.400 4.525 4.270 4.695 . 0 0 "[ . 1 . 2]" 3
966 1 55 ALA MB 1 56 PHE H 4.200 . 4.700 2.452 2.381 2.514 . 0 0 "[ . 1 . 2]" 3
967 1 7 PHE HE1 1 55 ALA MB 7.070 . 7.570 3.568 3.281 3.741 . 0 0 "[ . 1 . 2]" 3
968 1 7 PHE HD2 1 55 ALA MB 7.930 . 8.430 2.509 2.330 2.658 . 0 0 "[ . 1 . 2]" 3
969 1 56 PHE HA 1 57 SER H 4.500 . 5.000 3.441 2.588 3.560 . 0 0 "[ . 1 . 2]" 3
970 1 56 PHE HA 1 57 SER QB 6.170 . 6.670 5.274 5.007 5.391 . 0 0 "[ . 1 . 2]" 3
971 1 14 LEU QB 1 56 PHE HA 7.190 . 7.690 3.484 3.346 3.646 . 0 0 "[ . 1 . 2]" 3
972 1 14 LEU QB 1 56 PHE HA 6.170 . 6.670 3.698 3.492 3.946 . 0 0 "[ . 1 . 2]" 3
973 1 13 VAL H 1 56 PHE QB 6.170 . 6.670 4.483 3.846 5.063 . 0 0 "[ . 1 . 2]" 3
974 1 12 GLN QB 1 56 PHE QB 6.930 . 7.430 2.781 2.262 3.279 . 0 0 "[ . 1 . 2]" 3
975 1 14 LEU QB 1 56 PHE QB . . 8.570 3.855 3.771 3.973 . 0 0 "[ . 1 . 2]" 3
976 1 57 SER QB 1 59 ASP H 6.170 . 6.670 3.316 3.072 3.584 . 0 0 "[ . 1 . 2]" 3
977 1 7 PHE HE1 1 57 SER QB . . 7.430 4.426 3.801 4.927 . 0 0 "[ . 1 . 2]" 3
978 1 54 LYS HA 1 57 SER QB 6.930 . 7.430 4.998 4.649 5.608 . 0 0 "[ . 1 . 2]" 3
979 1 57 SER QB 1 59 ASP HA 8.420 . 8.920 5.517 5.196 5.720 . 0 0 "[ . 1 . 2]" 3
980 1 57 SER QB 1 58 LYS HA 6.170 . 6.670 4.719 4.612 4.833 . 0 0 "[ . 1 . 2]" 3
981 1 54 LYS QE 1 57 SER QB . . 8.820 5.210 4.740 5.534 . 0 0 "[ . 1 . 2]" 3
982 1 57 SER QB 1 60 GLN QB 8.070 . 8.570 4.158 3.770 4.461 . 0 0 "[ . 1 . 2]" 3
983 1 57 SER QB 1 62 ILE HB 6.170 . 6.670 5.442 5.020 5.544 . 0 0 "[ . 1 . 2]" 3
984 1 54 LYS QD 1 57 SER QB 6.930 . 7.430 5.179 4.155 5.517 . 0 0 "[ . 1 . 2]" 3
985 1 55 ALA MB 1 57 SER QB 7.410 . 7.910 2.349 2.256 2.496 . 0 0 "[ . 1 . 2]" 3
986 1 57 SER QB 1 62 ILE MD 7.410 . 7.910 2.876 2.467 3.459 . 0 0 "[ . 1 . 2]" 3
987 1 78 SER QB 1 79 LYS H 7.780 . 8.280 3.022 2.737 3.809 . 0 0 "[ . 1 . 2]" 3
988 1 56 PHE H 1 57 SER QB 6.170 . 6.670 4.616 4.469 4.861 . 0 0 "[ . 1 . 2]" 3
989 1 57 SER HA 1 59 ASP H 5.500 . 6.000 4.066 3.826 4.568 . 0 0 "[ . 1 . 2]" 3
990 1 7 PHE HE1 1 57 SER HA 6.170 . 6.670 4.438 4.240 4.641 . 0 0 "[ . 1 . 2]" 3
991 1 57 SER HA 1 58 LYS HA 4.500 . 5.000 4.360 4.175 4.410 . 0 0 "[ . 1 . 2]" 3
992 1 54 LYS QE 1 57 SER HA 6.930 . 7.430 4.207 3.919 4.424 . 0 0 "[ . 1 . 2]" 3
993 1 54 LYS QB 1 57 SER HA 7.410 . 7.910 4.124 3.697 4.390 . 0 0 "[ . 1 . 2]" 3
994 1 54 LYS QD 1 57 SER HA 7.190 . 7.690 4.243 4.078 4.386 . 0 0 "[ . 1 . 2]" 3
995 1 54 LYS QD 1 57 SER HA 7.780 . 8.280 4.366 3.924 5.154 . 0 0 "[ . 1 . 2]" 3
996 1 14 LEU QD 1 57 SER HA 8.320 . 8.820 4.924 4.302 5.559 . 0 0 "[ . 1 . 2]" 3
997 1 65 ASN HA 1 66 ALA HA 5.500 . 6.000 4.514 4.305 5.364 . 0 0 "[ . 1 . 2]" 3
998 1 61 ASN HA 1 64 GLY QA 8.320 . 8.820 4.129 4.063 4.178 . 0 0 "[ . 1 . 2]" 3
999 1 65 ASN HA 1 67 ARG QD 6.930 . 7.430 4.945 4.022 6.208 . 0 0 "[ . 1 . 2]" 3
1000 1 61 ASN HA 1 62 ILE QG 6.170 . 6.670 3.311 2.979 4.317 . 0 0 "[ . 1 . 2]" 3
1001 1 61 ASN HA 1 63 VAL QG 7.410 . 7.910 4.899 4.474 5.508 . 0 0 "[ . 1 . 2]" 3
1002 1 61 ASN QB 1 68 GLY H 7.410 . 7.910 4.535 3.526 5.520 . 0 0 "[ . 1 . 2]" 3
1003 1 61 ASN QB 1 68 GLY H 6.170 . 6.670 4.891 4.391 5.589 . 0 0 "[ . 1 . 2]" 3
1004 1 61 ASN QB 1 62 ILE H 7.410 . 7.910 3.234 2.969 3.542 . 0 0 "[ . 1 . 2]" 3
1005 1 61 ASN QB 1 62 ILE H 6.170 . 6.670 3.260 2.975 3.566 . 0 0 "[ . 1 . 2]" 3
1006 1 61 ASN QB 1 62 ILE HA 6.170 . 6.670 4.302 4.210 4.412 . 0 0 "[ . 1 . 2]" 3
1007 1 61 ASN QB 1 64 GLY QA 8.730 . 9.230 4.032 3.434 5.008 . 0 0 "[ . 1 . 2]" 3
1008 1 40 PHE QB 1 42 ASP QB 11.000 . 11.500 3.017 2.653 3.237 . 0 0 "[ . 1 . 2]" 3
1009 1 61 ASN QB 1 67 ARG QD 11.000 . 11.500 3.871 2.256 5.928 . 0 0 "[ . 1 . 2]" 3
1010 1 61 ASN QB 1 62 ILE QG 6.930 . 7.430 4.609 4.435 4.977 . 0 0 "[ . 1 . 2]" 3
1011 1 42 ASP QB 1 79 LYS QG 6.930 . 7.430 5.010 3.674 5.530 . 0 0 "[ . 1 . 2]" 3
1012 1 61 ASN QB 1 62 ILE MD 9.340 . 9.840 4.954 4.504 5.125 . 0 0 "[ . 1 . 2]" 3
1013 1 61 ASN QB 1 62 ILE MG 7.410 . 7.910 5.553 5.511 5.624 . 0 0 "[ . 1 . 2]" 3
1014 1 62 ILE HA 1 63 VAL H 3.500 . 4.000 3.258 2.849 3.645 . 0 0 "[ . 1 . 2]" 3
1015 1 62 ILE HB 1 63 VAL H 5.500 . 6.000 3.774 2.406 4.335 . 0 0 "[ . 1 . 2]" 3
1016 1 60 GLN H 1 62 ILE QG 6.170 . 6.670 4.820 4.318 5.474 . 0 0 "[ . 1 . 2]" 3
1017 1 62 ILE QG 1 63 VAL H 6.170 . 6.670 4.376 4.001 4.685 . 0 0 "[ . 1 . 2]" 3
1018 1 75 HIS QB 1 76 LEU HG 6.170 . 6.670 5.147 4.488 5.506 . 0 0 "[ . 1 . 2]" 3
1019 1 62 ILE MG 1 63 VAL H 6.610 . 7.110 4.099 3.075 4.433 . 0 0 "[ . 1 . 2]" 3
1020 1 63 VAL QG 1 64 GLY QA 8.320 . 8.820 3.221 2.832 3.648 . 0 0 "[ . 1 . 2]" 3
1021 1 6 GLU QB 1 8 GLN H 6.170 . 6.670 4.592 3.035 5.606 . 0 0 "[ . 1 . 2]" 3
1022 1 6 GLU QB 1 7 PHE H 5.050 . 5.550 3.381 2.851 3.899 . 0 0 "[ . 1 . 2]" 3
1023 1 6 GLU QB 1 7 PHE HE1 8.420 . 8.920 7.099 6.312 7.531 . 0 0 "[ . 1 . 2]" 3
1024 1 6 GLU QB 1 7 PHE HD1 8.420 . 8.920 6.298 5.470 6.669 . 0 0 "[ . 1 . 2]" 3
1025 1 5 SER HA 1 6 GLU QB 6.170 . 6.670 4.606 3.749 5.190 . 0 0 "[ . 1 . 2]" 3
1026 1 68 GLY H 1 69 SER HA 7.500 . 8.000 5.511 4.520 6.041 . 0 0 "[ . 1 . 2]" 3
1027 1 5 SER HA 1 6 GLU H 3.500 . 4.000 2.623 2.212 3.540 . 0 0 "[ . 1 . 2]" 3
1028 1 58 LYS HA 1 59 ASP H 5.050 . 5.550 3.542 3.473 3.597 . 0 0 "[ . 1 . 2]" 3
1029 1 56 PHE HE1 1 58 LYS HA 7.500 . 8.000 7.508 7.280 7.584 . 0 0 "[ . 1 . 2]" 3
1030 1 58 LYS HA 1 72 HIS HA 5.500 . 6.000 5.413 3.369 5.679 . 0 0 "[ . 1 . 2]" 3
1031 1 58 LYS HA 1 59 ASP HA 5.500 . 6.000 4.811 4.679 4.917 . 0 0 "[ . 1 . 2]" 3
1032 1 58 LYS QB 1 59 ASP H . . 7.430 3.198 2.298 3.736 . 0 0 "[ . 1 . 2]" 3
1033 1 76 LEU QD 1 80 LYS QG 7.640 . 8.140 3.131 2.173 4.913 . 0 0 "[ . 1 . 2]" 3
1034 1 59 ASP HA 1 60 GLN HA 5.500 . 6.000 4.727 4.683 4.783 . 0 0 "[ . 1 . 2]" 3
1035 1 59 ASP HA 1 60 GLN QB 6.170 . 6.670 4.957 4.823 5.300 . 0 0 "[ . 1 . 2]" 3
1036 1 54 LYS QD 1 59 ASP HA 7.410 . 7.910 3.385 3.149 4.155 . 0 0 "[ . 1 . 2]" 3
1037 1 58 LYS QE 1 59 ASP HA 6.930 . 7.430 5.340 4.518 6.209 . 0 0 "[ . 1 . 2]" 3
1038 1 46 GLN QG 1 48 VAL HA 7.780 . 8.280 5.213 4.829 5.659 . 0 0 "[ . 1 . 2]" 3
1039 1 60 GLN QG 1 68 GLY QA 9.990 . 10.490 3.828 2.244 4.409 . 0 0 "[ . 1 . 2]" 3
1040 1 57 SER QB 1 60 GLN QG . . 8.280 5.955 4.909 6.201 . 0 0 "[ . 1 . 2]" 3
1041 1 36 TYR QB 1 46 GLN QG 6.930 . 7.430 5.428 5.280 5.596 . 0 0 "[ . 1 . 2]" 3
1042 1 60 GLN QG 1 61 ASN QB 7.780 . 8.280 5.074 4.664 5.839 . 0 0 "[ . 1 . 2]" 3
1043 1 46 GLN QG 1 48 VAL QG 8.320 . 8.820 2.274 2.127 2.562 . 0 0 "[ . 1 . 2]" 3
1044 1 25 ALA MB 1 46 GLN QG 7.410 . 7.910 4.973 4.739 5.362 . 0 0 "[ . 1 . 2]" 3
1045 1 80 LYS HA 1 81 GLY H 5.500 . 6.000 2.922 2.276 3.592 . 0 0 "[ . 1 . 2]" 3
1046 1 76 LEU QB 1 80 LYS HA 6.170 . 6.670 5.377 4.520 5.578 . 0 0 "[ . 1 . 2]" 3
1047 1 71 ALA HA 1 72 HIS QB 6.170 . 6.670 4.273 4.037 4.857 . 0 0 "[ . 1 . 2]" 3
1048 1 7 PHE HE1 1 71 ALA MB 7.410 . 7.910 5.127 3.398 5.544 . 0 0 "[ . 1 . 2]" 3
1049 1 71 ALA MB 1 72 HIS HA 6.610 . 7.110 4.027 3.836 4.521 . 0 0 "[ . 1 . 2]" 3
1050 1 74 SER HA 1 76 LEU QB 8.420 . 8.920 5.044 4.237 7.243 . 0 0 "[ . 1 . 2]" 3
1051 1 56 PHE HE1 1 76 LEU QB 6.170 . 6.670 5.157 3.379 5.542 . 0 0 "[ . 1 . 2]" 3
1052 1 30 VAL H 1 63 VAL QG 7.410 . 7.910 5.522 5.231 5.590 . 0 0 "[ . 1 . 2]" 3
1053 1 63 VAL QG 1 64 GLY H 6.070 . 6.570 2.406 1.736 3.315 0.064 16 0 "[ . 1 . 2]" 3
1054 1 31 ASN H 1 63 VAL QG 7.410 . 7.910 5.493 5.268 5.572 . 0 0 "[ . 1 . 2]" 3
1055 1 36 TYR HH 1 63 VAL QG 7.410 . 7.910 2.182 1.914 2.672 . 0 0 "[ . 1 . 2]" 3
1056 1 8 GLN HA 1 63 VAL QG 6.070 . 6.570 2.703 2.250 3.170 . 0 0 "[ . 1 . 2]" 3
1057 1 55 ALA HA 1 63 VAL QG 7.410 . 7.910 4.656 3.834 5.281 . 0 0 "[ . 1 . 2]" 3
1058 1 8 GLN QB 1 63 VAL QG 8.320 . 8.820 3.809 3.250 4.319 . 0 0 "[ . 1 . 2]" 3
1059 1 6 GLU QB 1 63 VAL QG 8.320 . 8.820 5.126 4.371 5.520 . 0 0 "[ . 1 . 2]" 3
1060 1 9 ILE QG 1 63 VAL QG 6.810 . 7.310 4.284 3.416 4.525 . 0 0 "[ . 1 . 2]" 3
1061 1 62 ILE QG 1 63 VAL QG 8.320 . 8.820 4.658 4.207 5.225 . 0 0 "[ . 1 . 2]" 3
1062 1 27 VAL QG 1 63 VAL QG 9.990 . 10.490 3.278 2.743 3.599 . 0 0 "[ . 1 . 2]" 3
1063 1 28 THR H 1 45 VAL MG2 7.410 . 7.910 3.777 3.677 3.910 . 0 0 "[ . 1 . 2]" 3
1064 1 28 THR H 1 45 VAL MG1 7.410 . 7.910 4.540 4.377 4.656 . 0 0 "[ . 1 . 2]" 3
1065 1 38 VAL H 1 45 VAL MG1 6.610 . 7.110 3.550 3.452 3.671 . 0 0 "[ . 1 . 2]" 3
1066 1 45 VAL MG1 1 46 GLN H 5.400 . 5.900 2.485 2.436 2.593 . 0 0 "[ . 1 . 2]" 3
1067 1 45 VAL MG2 1 46 GLN H 5.400 . 5.900 4.103 4.057 4.179 . 0 0 "[ . 1 . 2]" 3
1068 1 39 LYS H 1 45 VAL MG2 6.610 . 7.110 4.690 4.621 4.787 . 0 0 "[ . 1 . 2]" 3
1069 1 44 VAL HA 1 45 VAL MG2 6.610 . 7.110 3.513 3.286 3.589 . 0 0 "[ . 1 . 2]" 3
1070 1 39 LYS QD 1 45 VAL MG1 7.410 . 7.910 4.094 3.933 4.217 . 0 0 "[ . 1 . 2]" 3
1071 1 28 THR MG 1 45 VAL MG1 4.760 . 5.260 2.449 2.305 2.519 . 0 0 "[ . 1 . 2]" 3
1072 1 12 GLN QG 1 25 ALA H 6.170 . 6.670 4.637 4.174 5.529 . 0 0 "[ . 1 . 2]" 3
1073 1 7 PHE HE1 1 12 GLN QG 6.170 . 6.670 5.248 4.113 5.564 . 0 0 "[ . 1 . 2]" 3
1074 1 12 GLN QG 1 13 VAL HA 6.170 . 6.670 5.571 5.495 5.654 . 0 0 "[ . 1 . 2]" 3
1075 1 6 GLU QG 1 7 PHE H 7.410 . 7.910 3.569 2.206 4.046 . 0 0 "[ . 1 . 2]" 3
1076 1 6 GLU QG 1 7 PHE HZ 8.420 . 8.920 6.933 6.129 7.507 . 0 0 "[ . 1 . 2]" 3
1077 1 6 GLU QG 1 7 PHE HD2 8.320 . 8.820 3.856 2.208 4.507 . 0 0 "[ . 1 . 2]" 3
1078 1 5 SER HA 1 6 GLU QG . . 7.430 4.454 3.411 5.567 . 0 0 "[ . 1 . 2]" 3
1079 1 7 PHE HA 1 8 GLN QB 6.170 . 6.670 4.670 4.264 5.002 . 0 0 "[ . 1 . 2]" 3
1080 1 8 GLN QB 1 9 ILE QG 6.930 . 7.430 3.653 3.446 3.810 . 0 0 "[ . 1 . 2]" 3
1081 1 6 GLU HA 1 7 PHE H 4.200 . 4.700 2.687 2.166 3.198 . 0 0 "[ . 1 . 2]" 3
1082 1 6 GLU HA 1 7 PHE HE1 6.610 . 7.110 5.332 4.646 5.607 . 0 0 "[ . 1 . 2]" 3
1083 1 6 GLU HA 1 7 PHE HD2 6.610 . 7.110 3.288 2.676 3.635 . 0 0 "[ . 1 . 2]" 3
1084 1 6 GLU HA 1 7 PHE HA 5.500 . 6.000 4.855 4.414 5.329 . 0 0 "[ . 1 . 2]" 3
1085 1 5 SER HA 1 6 GLU HA 6.610 . 7.110 4.462 4.117 5.112 . 0 0 "[ . 1 . 2]" 3
1086 1 6 GLU HA 1 7 PHE QB 6.930 . 7.430 4.341 4.205 4.454 . 0 0 "[ . 1 . 2]" 3
1087 1 44 VAL QG 1 46 GLN QG 9.340 . 9.840 2.248 2.111 2.462 . 0 0 "[ . 1 . 2]" 3
1088 1 17 TRP HD1 1 46 GLN QG 6.930 . 7.430 4.159 3.990 4.462 . 0 0 "[ . 1 . 2]" 3
1089 1 40 PHE QD 1 46 GLN QG 6.930 . 7.430 3.589 3.353 3.775 . 0 0 "[ . 1 . 2]" 3
1090 1 46 GLN QG 1 47 THR H 6.170 . 6.670 3.875 3.756 4.089 . 0 0 "[ . 1 . 2]" 3
1091 1 29 ALA HA 1 30 VAL HA 4.500 . 5.000 4.526 4.513 4.538 . 0 0 "[ . 1 . 2]" 3
1092 1 42 ASP QB 1 43 GLY H 6.170 . 6.670 3.007 2.924 3.120 . 0 0 "[ . 1 . 2]" 3
1093 1 5 SER HA 1 7 PHE HE1 6.170 . 6.670 4.095 2.632 5.516 . 0 0 "[ . 1 . 2]" 3
1094 1 5 SER HA 1 6 GLU QB 5.670 . 6.170 4.245 3.739 4.614 . 0 0 "[ . 1 . 2]" 3
1095 1 5 SER HA 1 6 GLU QG 6.170 . 6.670 4.512 3.413 5.600 . 0 0 "[ . 1 . 2]" 3
1096 1 74 SER HA 1 76 LEU QD 7.410 . 7.910 3.844 2.955 5.437 . 0 0 "[ . 1 . 2]" 3
1097 1 5 SER HA 1 7 PHE H 5.500 . 6.000 4.465 2.981 5.597 . 0 0 "[ . 1 . 2]" 3
stop_
save_