NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
472677 |
1ajy   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1ajy
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 22
_Distance_constraint_stats_list.Viol_count 61
_Distance_constraint_stats_list.Viol_total 40.717
_Distance_constraint_stats_list.Viol_max 0.129
_Distance_constraint_stats_list.Viol_rms 0.0249
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0110
_Distance_constraint_stats_list.Viol_average_violations_only 0.0513
_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 5 CYS 0.934 0.129 11 0 "[ . 1 ]"
1 8 CYS 0.668 0.102 6 0 "[ . 1 ]"
1 15 CYS 0.002 0.002 2 0 "[ . 1 ]"
1 21 CYS 0.666 0.102 6 0 "[ . 1 ]"
1 24 CYS 0.531 0.064 3 0 "[ . 1 ]"
1 31 CYS 0.403 0.129 11 0 "[ . 1 ]"
2 5 CYS 0.657 0.082 6 0 "[ . 1 ]"
2 8 CYS 0.874 0.094 11 0 "[ . 1 ]"
2 15 CYS 0.007 0.007 2 0 "[ . 1 ]"
2 21 CYS 0.867 0.094 11 0 "[ . 1 ]"
2 24 CYS 0.587 0.082 6 0 "[ . 1 ]"
2 31 CYS 0.070 0.023 7 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 CYS SG 1 15 CYS SG 3.500 2.300 4.700 3.956 3.401 4.572 . 0 0 "[ . 1 ]" 1
2 2 5 CYS SG 2 15 CYS SG 3.500 2.300 4.700 3.669 3.451 3.989 . 0 0 "[ . 1 ]" 1
3 1 5 CYS SG 1 8 CYS SG 3.500 2.300 4.700 4.083 3.289 4.511 . 0 0 "[ . 1 ]" 1
4 2 5 CYS SG 2 8 CYS SG 3.500 2.300 4.700 4.288 4.118 4.466 . 0 0 "[ . 1 ]" 1
5 1 5 CYS SG 1 21 CYS SG 3.500 2.300 4.700 3.475 3.272 4.171 . 0 0 "[ . 1 ]" 1
6 2 5 CYS SG 2 21 CYS SG 3.500 2.300 4.700 3.276 3.272 3.282 . 0 0 "[ . 1 ]" 1
7 1 5 CYS SG 1 24 CYS SG 3.500 2.300 4.700 4.541 3.660 4.764 0.064 3 0 "[ . 1 ]" 1
8 2 5 CYS SG 2 24 CYS SG 3.500 2.300 4.700 4.744 4.687 4.782 0.082 6 0 "[ . 1 ]" 1
9 1 5 CYS SG 1 31 CYS SG 3.500 2.300 4.700 4.663 4.516 4.829 0.129 11 0 "[ . 1 ]" 1
10 2 5 CYS SG 2 31 CYS SG 3.500 2.300 4.700 4.677 4.560 4.723 0.023 7 0 "[ . 1 ]" 1
11 1 8 CYS SG 1 21 CYS SG 3.500 2.300 4.700 4.751 4.720 4.802 0.102 6 0 "[ . 1 ]" 1
12 2 8 CYS SG 2 21 CYS SG 3.500 2.300 4.700 4.767 4.745 4.794 0.094 11 0 "[ . 1 ]" 1
13 1 8 CYS SG 1 15 CYS SG 3.500 2.300 4.700 4.276 3.779 4.702 0.002 2 0 "[ . 1 ]" 1
14 2 8 CYS SG 2 15 CYS SG 3.500 2.300 4.700 4.405 4.111 4.707 0.007 2 0 "[ . 1 ]" 1
15 1 15 CYS SG 1 21 CYS SG 3.500 2.300 4.700 4.006 3.759 4.341 . 0 0 "[ . 1 ]" 1
16 2 15 CYS SG 2 21 CYS SG 3.500 2.300 4.700 4.086 3.908 4.474 . 0 0 "[ . 1 ]" 1
17 1 21 CYS SG 1 24 CYS SG 3.500 2.300 4.700 4.275 4.171 4.394 . 0 0 "[ . 1 ]" 1
18 2 21 CYS SG 2 24 CYS SG 3.500 2.300 4.700 4.226 3.795 4.373 . 0 0 "[ . 1 ]" 1
19 1 21 CYS SG 1 31 CYS SG 3.500 2.300 4.700 3.315 3.263 3.447 . 0 0 "[ . 1 ]" 1
20 2 21 CYS SG 2 31 CYS SG 3.500 2.300 4.700 3.321 3.254 3.440 . 0 0 "[ . 1 ]" 1
21 1 24 CYS SG 1 31 CYS SG 3.500 2.300 4.700 4.427 4.384 4.468 . 0 0 "[ . 1 ]" 1
22 2 24 CYS SG 2 31 CYS SG 3.500 2.300 4.700 4.445 4.366 4.547 . 0 0 "[ . 1 ]" 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 50
_Distance_constraint_stats_list.Viol_count 149
_Distance_constraint_stats_list.Viol_total 160.808
_Distance_constraint_stats_list.Viol_max 0.172
_Distance_constraint_stats_list.Viol_rms 0.0419
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0190
_Distance_constraint_stats_list.Viol_average_violations_only 0.0830
_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 CYS 0.237 0.061 10 0 "[ . 1 ]"
1 8 CYS 0.006 0.006 2 0 "[ . 1 ]"
1 15 CYS 0.013 0.008 9 0 "[ . 1 ]"
1 21 CYS 1.150 0.120 10 0 "[ . 1 ]"
1 24 CYS 3.399 0.168 10 0 "[ . 1 ]"
1 31 CYS 1.469 0.121 6 0 "[ . 1 ]"
2 5 CYS 0.005 0.002 13 0 "[ . 1 ]"
2 8 CYS 0.000 0.000 . 0 "[ . 1 ]"
2 15 CYS 0.000 0.000 . 0 "[ . 1 ]"
2 21 CYS 0.897 0.090 3 0 "[ . 1 ]"
2 24 CYS 3.185 0.172 3 0 "[ . 1 ]"
2 31 CYS 1.862 0.144 6 0 "[ . 1 ]"
3 1 ZN 0.463 0.063 10 0 "[ . 1 ]"
4 1 ZN 6.107 0.168 10 0 "[ . 1 ]"
5 1 ZN 0.002 0.002 12 0 "[ . 1 ]"
6 1 ZN 5.946 0.172 3 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 CYS SG 3 1 ZN ZN 2.450 2.150 2.750 2.716 2.572 2.811 0.061 10 0 "[ . 1 ]" 2
2 2 5 CYS SG 5 1 ZN ZN 2.450 2.150 2.750 2.661 2.513 2.752 0.002 12 0 "[ . 1 ]" 2
3 1 15 CYS SG 3 1 ZN ZN 2.450 2.150 2.750 2.317 2.142 2.572 0.008 9 0 "[ . 1 ]" 2
4 2 15 CYS SG 5 1 ZN ZN 2.450 2.150 2.750 2.379 2.153 2.698 . 0 0 "[ . 1 ]" 2
5 1 8 CYS SG 3 1 ZN ZN 2.450 2.150 2.750 2.561 2.249 2.756 0.006 2 0 "[ . 1 ]" 2
6 2 8 CYS SG 5 1 ZN ZN 2.450 2.150 2.750 2.633 2.435 2.748 . 0 0 "[ . 1 ]" 2
7 1 21 CYS SG 3 1 ZN ZN 2.450 2.150 2.750 2.722 2.615 2.789 0.039 10 0 "[ . 1 ]" 2
8 2 21 CYS SG 5 1 ZN ZN 2.450 2.150 2.750 2.690 2.509 2.749 . 0 0 "[ . 1 ]" 2
9 1 5 CYS HB3 3 1 ZN ZN 3.600 2.500 4.700 3.894 2.480 4.463 0.020 4 0 "[ . 1 ]" 2
10 2 5 CYS HB3 5 1 ZN ZN 3.600 2.500 4.700 4.278 4.095 4.450 . 0 0 "[ . 1 ]" 2
11 1 5 CYS HB2 3 1 ZN ZN 3.600 2.500 4.700 3.282 2.747 3.905 . 0 0 "[ . 1 ]" 2
12 2 5 CYS HB2 5 1 ZN ZN 3.600 2.500 4.700 3.072 2.872 3.306 . 0 0 "[ . 1 ]" 2
13 1 15 CYS HB3 3 1 ZN ZN 3.600 2.500 4.700 4.247 3.887 4.451 . 0 0 "[ . 1 ]" 2
14 2 15 CYS HB3 5 1 ZN ZN 3.600 2.500 4.700 4.238 3.950 4.600 . 0 0 "[ . 1 ]" 2
15 1 15 CYS HB2 3 1 ZN ZN 3.600 2.500 4.700 3.244 2.761 3.797 . 0 0 "[ . 1 ]" 2
16 2 15 CYS HB2 5 1 ZN ZN 3.600 2.500 4.700 3.158 2.740 3.574 . 0 0 "[ . 1 ]" 2
17 1 8 CYS HB3 3 1 ZN ZN 3.600 2.500 4.700 4.057 3.879 4.143 . 0 0 "[ . 1 ]" 2
18 2 8 CYS HB3 5 1 ZN ZN 3.600 2.500 4.700 4.125 3.995 4.451 . 0 0 "[ . 1 ]" 2
19 1 8 CYS HB2 3 1 ZN ZN 3.600 2.500 4.700 3.652 3.445 3.911 . 0 0 "[ . 1 ]" 2
20 2 8 CYS HB2 5 1 ZN ZN 3.600 2.500 4.700 3.776 3.503 4.068 . 0 0 "[ . 1 ]" 2
21 1 21 CYS HB3 3 1 ZN ZN 3.600 2.500 4.700 3.357 3.183 3.572 . 0 0 "[ . 1 ]" 2
22 2 21 CYS HB3 5 1 ZN ZN 3.600 2.500 4.700 3.373 3.206 3.605 . 0 0 "[ . 1 ]" 2
23 1 21 CYS HB2 3 1 ZN ZN 3.600 2.500 4.700 3.259 3.127 3.413 . 0 0 "[ . 1 ]" 2
24 2 21 CYS HB2 5 1 ZN ZN 3.600 2.500 4.700 3.218 3.080 3.419 . 0 0 "[ . 1 ]" 2
25 1 5 CYS SG 4 1 ZN ZN 2.450 2.150 2.750 2.295 2.131 2.438 0.019 10 0 "[ . 1 ]" 2
26 2 5 CYS SG 6 1 ZN ZN 2.450 2.150 2.750 2.407 2.280 2.752 0.002 13 0 "[ . 1 ]" 2
27 1 21 CYS SG 4 1 ZN ZN 2.450 2.150 2.750 2.670 2.621 2.724 . 0 0 "[ . 1 ]" 2
28 2 21 CYS SG 6 1 ZN ZN 2.450 2.150 2.750 2.658 2.557 2.697 . 0 0 "[ . 1 ]" 2
29 1 24 CYS SG 4 1 ZN ZN 2.450 2.150 2.750 2.864 2.843 2.897 0.147 4 0 "[ . 1 ]" 2
30 2 24 CYS SG 6 1 ZN ZN 2.450 2.150 2.750 2.836 2.516 2.893 0.143 1 0 "[ . 1 ]" 2
31 1 31 CYS SG 4 1 ZN ZN 2.450 2.150 2.750 2.845 2.786 2.871 0.121 6 0 "[ . 1 ]" 2
32 2 31 CYS SG 6 1 ZN ZN 2.450 2.150 2.750 2.862 2.841 2.894 0.144 6 0 "[ . 1 ]" 2
33 1 5 CYS HB3 4 1 ZN ZN 3.600 2.500 4.700 2.938 2.573 3.482 . 0 0 "[ . 1 ]" 2
34 2 5 CYS HB3 6 1 ZN ZN 3.600 2.500 4.700 2.719 2.526 3.041 . 0 0 "[ . 1 ]" 2
35 1 5 CYS HB2 4 1 ZN ZN 3.600 2.500 4.700 2.925 2.663 3.444 . 0 0 "[ . 1 ]" 2
36 2 5 CYS HB2 6 1 ZN ZN 3.600 2.500 4.700 2.773 2.627 3.007 . 0 0 "[ . 1 ]" 2
37 1 21 CYS HB3 4 1 ZN ZN 3.600 2.500 4.700 4.107 4.003 4.191 . 0 0 "[ . 1 ]" 2
38 2 21 CYS HB3 6 1 ZN ZN 3.600 2.500 4.700 4.075 4.010 4.156 . 0 0 "[ . 1 ]" 2
39 1 21 CYS HB2 4 1 ZN ZN 3.600 2.500 4.700 4.781 4.762 4.820 0.120 10 0 "[ . 1 ]" 2
40 2 21 CYS HB2 6 1 ZN ZN 3.600 2.500 4.700 4.769 4.726 4.790 0.090 3 0 "[ . 1 ]" 2
41 1 24 CYS HB3 4 1 ZN ZN 3.600 2.500 4.700 3.139 3.082 3.204 . 0 0 "[ . 1 ]" 2
42 2 24 CYS HB3 6 1 ZN ZN 3.600 2.500 4.700 3.160 3.105 3.279 . 0 0 "[ . 1 ]" 2
43 1 24 CYS HB2 4 1 ZN ZN 3.600 2.500 4.700 2.353 2.332 2.373 0.168 10 0 "[ . 1 ]" 2
44 2 24 CYS HB2 6 1 ZN ZN 3.600 2.500 4.700 2.359 2.328 2.416 0.172 3 0 "[ . 1 ]" 2
45 1 31 CYS HB3 4 1 ZN ZN 3.600 2.500 4.700 2.484 2.460 2.528 0.040 8 0 "[ . 1 ]" 2
46 2 31 CYS HB3 6 1 ZN ZN 3.600 2.500 4.700 2.469 2.401 2.503 0.099 13 0 "[ . 1 ]" 2
47 1 31 CYS HB2 4 1 ZN ZN 3.600 2.500 4.700 3.833 3.802 3.888 . 0 0 "[ . 1 ]" 2
48 2 31 CYS HB2 6 1 ZN ZN 3.600 2.500 4.700 3.821 3.783 3.860 . 0 0 "[ . 1 ]" 2
49 3 1 ZN ZN 4 1 ZN ZN 3.750 3.100 4.400 3.124 3.037 3.291 0.063 10 0 "[ . 1 ]" 2
50 5 1 ZN ZN 6 1 ZN ZN 3.750 3.100 4.400 3.182 3.132 3.287 . 0 0 "[ . 1 ]" 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 1990
_Distance_constraint_stats_list.Viol_count 3814
_Distance_constraint_stats_list.Viol_total 18993.164
_Distance_constraint_stats_list.Viol_max 7.583
_Distance_constraint_stats_list.Viol_rms 0.4198
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0565
_Distance_constraint_stats_list.Viol_average_violations_only 0.3831
_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 3 VAL 0.000 0.000 . 0 "[ . 1 ]"
1 4 ALA 0.008 0.008 11 0 "[ . 1 ]"
1 5 CYS 1.230 0.066 5 0 "[ . 1 ]"
1 6 LEU 6.641 0.262 11 0 "[ . 1 ]"
1 7 SER 3.693 0.262 11 0 "[ . 1 ]"
1 8 CYS 0.964 0.095 7 0 "[ . 1 ]"
1 9 ARG 1.329 0.094 3 0 "[ . 1 ]"
1 10 LYS 2.291 0.171 9 0 "[ . 1 ]"
1 11 ARG 5.943 0.307 13 0 "[ . 1 ]"
1 12 HIS 5.498 0.307 13 0 "[ . 1 ]"
1 13 ILE 3.069 0.437 6 0 "[ . 1 ]"
1 14 LYS 2.112 0.437 6 0 "[ . 1 ]"
1 15 CYS 0.029 0.029 6 0 "[ . 1 ]"
1 16 PRO 0.101 0.022 12 0 "[ . 1 ]"
1 17 GLY 0.351 0.076 5 0 "[ . 1 ]"
1 18 GLY 0.351 0.076 5 0 "[ . 1 ]"
1 19 ASN 1.986 0.124 3 0 "[ . 1 ]"
1 20 PRO 3.714 0.154 8 0 "[ . 1 ]"
1 21 CYS 0.932 0.091 3 0 "[ . 1 ]"
1 22 GLN 0.429 0.046 3 0 "[ . 1 ]"
1 23 LYS 2.788 0.115 13 0 "[ . 1 ]"
1 24 CYS 12.126 0.251 8 0 "[ . 1 ]"
1 25 VAL 10.852 0.273 1 0 "[ . 1 ]"
1 26 THR 12.893 0.336 10 0 "[ . 1 ]"
1 27 SER 9.316 0.336 10 0 "[ . 1 ]"
1 28 ASN 12.416 0.339 7 0 "[ . 1 ]"
1 29 ALA 8.242 0.339 7 0 "[ . 1 ]"
1 30 ILE 6.005 0.299 10 0 "[ . 1 ]"
1 31 CYS 11.526 0.299 10 0 "[ . 1 ]"
1 32 GLU 9.750 1.522 10 6 "[ *.**- + *]"
1 33 TYR 8.559 0.959 6 6 "[ *.+-* * *]"
1 34 LEU 26.297 1.987 3 9 "[ +*.*-*** **]"
1 35 GLU 7.123 0.795 12 4 "[ *- 1 +*]"
1 36 PRO 46.030 5.901 12 8 "[ *** *-* +*]"
1 39 LYS 210.466 7.583 13 13 [****-*******+]
1 40 ILE 153.899 4.792 2 13 [*+***-*******]
1 41 VAL 73.804 4.944 1 13 [+****-*******]
1 42 VAL 62.697 3.498 7 13 [****-*+******]
1 43 SER 85.775 7.474 2 13 [*+-**********]
1 44 THR 246.622 7.583 13 13 [****-*******+]
1 45 LYS 1.948 0.132 2 0 "[ . 1 ]"
1 46 TYR 31.895 3.114 1 3 "[+ * . 1- ]"
1 47 LEU 38.791 3.114 1 3 "[+ * . 1- ]"
1 48 GLN 2.400 0.199 10 0 "[ . 1 ]"
1 49 GLN 0.630 0.089 3 0 "[ . 1 ]"
1 50 LEU 29.206 2.236 1 9 "[+ -** *****]"
1 51 GLN 30.370 2.236 1 9 "[+ -** *****]"
1 52 LYS 2.987 0.166 9 0 "[ . 1 ]"
1 53 ASP 1.924 0.513 5 1 "[ + 1 ]"
1 54 LEU 30.046 1.212 5 13 [****+*******-]
1 55 ASN 6.490 0.170 11 0 "[ . 1 ]"
1 56 ASP 14.765 0.986 13 13 [********-***+]
1 57 LYS 23.481 1.212 5 13 [****+*******-]
1 58 THR 8.916 0.474 5 0 "[ . 1 ]"
1 59 GLU 4.533 0.173 5 0 "[ . 1 ]"
1 60 GLU 13.381 0.638 5 5 "[ *+-** 1 ]"
1 61 ASN 14.257 0.638 5 7 "[* **+-** 1 ]"
1 62 ASN 8.989 0.529 3 2 "[- + . 1 ]"
1 63 ARG 8.602 0.616 5 2 "[ + - ]"
1 64 LEU 27.782 2.540 3 13 [**+*****-****]
1 65 LYS 21.670 2.540 3 13 [**+*****-****]
1 66 ALA 6.456 0.391 10 0 "[ . 1 ]"
1 67 LEU 0.211 0.157 7 0 "[ . 1 ]"
1 68 LEU 10.179 3.479 12 1 "[ . 1 + ]"
1 69 LEU 9.821 0.490 13 0 "[ . 1 ]"
1 70 GLU 9.232 2.299 12 1 "[ . 1 + ]"
1 71 ARG 6.136 3.479 12 1 "[ . 1 + ]"
2 3 VAL 0.000 0.000 . 0 "[ . 1 ]"
2 4 ALA 0.015 0.015 13 0 "[ . 1 ]"
2 5 CYS 1.206 0.045 12 0 "[ . 1 ]"
2 6 LEU 6.192 0.245 8 0 "[ . 1 ]"
2 7 SER 2.906 0.245 8 0 "[ . 1 ]"
2 8 CYS 0.685 0.052 13 0 "[ . 1 ]"
2 9 ARG 1.324 0.098 1 0 "[ . 1 ]"
2 10 LYS 2.236 0.206 2 0 "[ . 1 ]"
2 11 ARG 5.530 0.273 4 0 "[ . 1 ]"
2 12 HIS 5.288 0.273 4 0 "[ . 1 ]"
2 13 ILE 2.521 0.100 6 0 "[ . 1 ]"
2 14 LYS 1.778 0.100 6 0 "[ . 1 ]"
2 15 CYS 0.000 0.000 . 0 "[ . 1 ]"
2 16 PRO 0.167 0.024 4 0 "[ . 1 ]"
2 17 GLY 0.572 0.076 8 0 "[ . 1 ]"
2 18 GLY 0.572 0.076 8 0 "[ . 1 ]"
2 19 ASN 2.178 0.119 2 0 "[ . 1 ]"
2 20 PRO 4.244 0.221 6 0 "[ . 1 ]"
2 21 CYS 0.993 0.095 5 0 "[ . 1 ]"
2 22 GLN 0.628 0.083 13 0 "[ . 1 ]"
2 23 LYS 3.004 0.112 12 0 "[ . 1 ]"
2 24 CYS 12.744 0.268 13 0 "[ . 1 ]"
2 25 VAL 11.370 0.345 13 0 "[ . 1 ]"
2 26 THR 13.265 0.376 13 0 "[ . 1 ]"
2 27 SER 9.140 0.376 13 0 "[ . 1 ]"
2 28 ASN 12.467 0.330 12 0 "[ . 1 ]"
2 29 ALA 8.449 0.330 12 0 "[ . 1 ]"
2 30 ILE 5.991 0.348 13 0 "[ . 1 ]"
2 31 CYS 11.849 0.348 13 0 "[ . 1 ]"
2 32 GLU 4.352 1.528 9 2 "[ . +1 -]"
2 33 TYR 6.142 0.810 9 3 "[ . +1 -*]"
2 34 LEU 10.724 1.678 8 3 "[ . +*1 - ]"
2 35 GLU 4.452 0.429 12 0 "[ . 1 ]"
2 36 PRO 58.645 5.683 9 9 "[*-**.***+1* ]"
2 39 LYS 226.716 7.582 13 13 [*-**********+]
2 40 ILE 153.718 4.794 2 13 [*+***-*******]
2 41 VAL 73.795 4.943 1 13 [+****-*******]
2 42 VAL 62.563 3.501 7 13 [****-*+******]
2 43 SER 85.779 7.474 2 13 [*+-**********]
2 44 THR 246.650 7.582 13 13 [****-*******+]
2 45 LYS 1.928 0.132 2 0 "[ . 1 ]"
2 46 TYR 31.910 3.115 1 3 "[+ * . 1- ]"
2 47 LEU 38.805 3.115 1 3 "[+ * . 1- ]"
2 48 GLN 2.403 0.197 10 0 "[ . 1 ]"
2 49 GLN 0.622 0.084 3 0 "[ . 1 ]"
2 50 LEU 29.203 2.235 1 9 "[+ *** ***-*]"
2 51 GLN 30.387 2.235 1 9 "[+ *** ***-*]"
2 52 LYS 3.026 0.168 9 0 "[ . 1 ]"
2 53 ASP 1.945 0.525 5 1 "[ + 1 ]"
2 54 LEU 30.037 1.210 5 13 [****+*******-]
2 55 ASN 6.498 0.170 11 0 "[ . 1 ]"
2 56 ASP 14.784 0.984 13 13 [********-***+]
2 57 LYS 23.466 1.210 5 13 [****+*******-]
2 58 THR 8.900 0.474 5 0 "[ . 1 ]"
2 59 GLU 4.525 0.173 12 0 "[ . 1 ]"
2 60 GLU 13.347 0.643 7 5 "[ **-+* 1 ]"
2 61 ASN 14.292 0.643 7 7 "[* ***-+* 1 ]"
2 62 ASN 8.993 0.531 3 2 "[- + . 1 ]"
2 63 ARG 8.599 0.611 5 2 "[ + - ]"
2 64 LEU 27.751 2.542 3 13 [**+*****-****]
2 65 LYS 21.662 2.542 3 13 [**+*****-****]
2 66 ALA 6.455 0.392 10 0 "[ . 1 ]"
2 67 LEU 0.209 0.155 7 0 "[ . 1 ]"
2 68 LEU 10.180 3.478 12 1 "[ . 1 + ]"
2 69 LEU 9.846 0.491 12 0 "[ . 1 ]"
2 70 GLU 9.276 2.298 12 1 "[ . 1 + ]"
2 71 ARG 6.133 3.478 12 1 "[ . 1 + ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 VAL HA 1 4 ALA H 2.500 . 3.000 2.331 2.210 2.653 . 0 0 "[ . 1 ]" 3
2 1 3 VAL HB 1 4 ALA H 4.500 . 5.000 4.235 3.557 4.470 . 0 0 "[ . 1 ]" 3
3 1 4 ALA H 1 4 ALA HA 3.000 . 3.500 2.946 2.817 3.001 . 0 0 "[ . 1 ]" 3
4 1 4 ALA H 1 4 ALA MB 2.300 . 2.800 2.312 1.950 2.745 . 0 0 "[ . 1 ]" 3
5 1 4 ALA H 1 5 CYS H 4.300 . 4.800 4.545 4.376 4.704 . 0 0 "[ . 1 ]" 3
6 1 4 ALA HA 1 5 CYS H 2.400 . 2.900 2.401 2.342 2.496 . 0 0 "[ . 1 ]" 3
7 1 4 ALA HA 1 8 CYS HB3 4.500 . 5.000 4.384 4.175 4.605 . 0 0 "[ . 1 ]" 3
8 1 4 ALA HA 1 15 CYS H 4.000 . 4.500 3.973 3.581 4.462 . 0 0 "[ . 1 ]" 3
9 1 4 ALA HA 1 15 CYS HB3 3.700 . 4.200 2.265 1.948 2.837 . 0 0 "[ . 1 ]" 3
10 1 4 ALA HA 1 15 CYS HB2 4.500 . 5.000 2.449 1.955 3.043 . 0 0 "[ . 1 ]" 3
11 1 4 ALA HA 1 33 TYR QE 4.500 . 5.000 2.954 2.770 3.274 . 0 0 "[ . 1 ]" 3
12 1 4 ALA MB 1 5 CYS H 2.300 . 2.800 2.698 2.481 2.808 0.008 11 0 "[ . 1 ]" 3
13 1 4 ALA MB 1 8 CYS HB2 4.500 . 5.000 2.097 1.914 2.414 . 0 0 "[ . 1 ]" 3
14 1 4 ALA MB 1 9 ARG HA 4.500 . 5.000 3.187 2.771 3.661 . 0 0 "[ . 1 ]" 3
15 1 4 ALA MB 1 9 ARG QB 4.000 . 4.500 3.560 2.741 4.015 . 0 0 "[ . 1 ]" 3
16 1 4 ALA MB 1 15 CYS H 4.500 . 5.000 2.632 2.135 3.107 . 0 0 "[ . 1 ]" 3
17 1 4 ALA MB 1 15 CYS HB3 3.000 . 3.500 2.723 1.964 3.431 . 0 0 "[ . 1 ]" 3
18 1 4 ALA MB 1 15 CYS HB2 3.400 . 3.900 2.117 1.981 2.349 . 0 0 "[ . 1 ]" 3
19 1 4 ALA MB 1 33 TYR QE 4.500 . 5.000 4.129 3.976 4.298 . 0 0 "[ . 1 ]" 3
20 1 5 CYS H 1 5 CYS HA 2.800 . 3.300 2.868 2.818 2.910 . 0 0 "[ . 1 ]" 3
21 1 5 CYS H 1 5 CYS HB2 3.500 . 4.000 2.689 2.348 3.456 . 0 0 "[ . 1 ]" 3
22 1 5 CYS H 1 5 CYS HB3 3.000 . 3.500 3.199 2.059 3.541 0.041 6 0 "[ . 1 ]" 3
23 1 5 CYS H 1 8 CYS H 4.500 . 5.000 3.907 3.589 4.139 . 0 0 "[ . 1 ]" 3
24 1 5 CYS H 1 8 CYS HB3 4.300 . 4.800 3.709 3.557 3.882 . 0 0 "[ . 1 ]" 3
25 1 5 CYS H 1 8 CYS HB2 4.000 . 4.500 2.439 2.284 2.592 . 0 0 "[ . 1 ]" 3
26 1 5 CYS H 1 15 CYS HB3 4.500 . 5.000 3.711 2.980 4.396 . 0 0 "[ . 1 ]" 3
27 1 5 CYS H 1 15 CYS HB2 4.500 . 5.000 2.883 2.466 3.480 . 0 0 "[ . 1 ]" 3
28 1 5 CYS H 1 33 TYR QE 4.500 . 5.000 2.562 2.323 3.050 . 0 0 "[ . 1 ]" 3
29 1 5 CYS H 1 33 TYR QD 4.500 . 5.000 4.352 3.956 4.778 . 0 0 "[ . 1 ]" 3
30 1 5 CYS HA 1 5 CYS HB2 2.500 . 3.000 2.863 2.292 3.036 0.036 12 0 "[ . 1 ]" 3
31 1 5 CYS HA 1 5 CYS HB3 2.500 . 3.000 2.518 2.444 2.700 . 0 0 "[ . 1 ]" 3
32 1 5 CYS HA 1 6 LEU H 3.100 . 3.600 2.579 2.494 2.665 . 0 0 "[ . 1 ]" 3
33 1 5 CYS HA 1 33 TYR QE 4.500 . 5.000 2.498 2.214 2.705 . 0 0 "[ . 1 ]" 3
34 1 5 CYS HA 1 33 TYR QD 4.500 . 5.000 2.508 2.165 2.836 . 0 0 "[ . 1 ]" 3
35 1 5 CYS HB2 1 6 LEU H 2.800 . 3.300 3.217 2.829 3.366 0.066 5 0 "[ . 1 ]" 3
36 1 5 CYS HB2 1 7 SER H 4.000 . 4.500 3.486 2.965 4.535 0.035 10 0 "[ . 1 ]" 3
37 1 5 CYS HB2 1 8 CYS H 4.500 . 5.000 2.919 2.277 4.725 . 0 0 "[ . 1 ]" 3
38 1 5 CYS HB2 1 33 TYR QE 4.500 . 5.000 3.940 3.263 4.315 . 0 0 "[ . 1 ]" 3
39 1 5 CYS HB3 1 6 LEU H 3.500 . 4.000 2.703 2.132 4.059 0.059 10 0 "[ . 1 ]" 3
40 1 5 CYS HB3 1 33 TYR QE 4.500 . 5.000 3.853 2.536 4.339 . 0 0 "[ . 1 ]" 3
41 1 5 CYS HB3 1 33 TYR QD 4.500 . 5.000 4.720 4.211 5.015 0.015 13 0 "[ . 1 ]" 3
42 1 6 LEU H 1 6 LEU HA 2.800 . 3.300 2.861 2.773 2.901 . 0 0 "[ . 1 ]" 3
43 1 6 LEU H 1 6 LEU HB2 2.800 . 3.300 2.005 1.980 2.067 . 0 0 "[ . 1 ]" 3
44 1 6 LEU H 1 6 LEU HB3 2.800 . 3.300 3.374 3.350 3.430 0.130 5 0 "[ . 1 ]" 3
45 1 6 LEU H 1 6 LEU HG 3.400 . 3.900 3.610 2.906 3.955 0.055 6 0 "[ . 1 ]" 3
46 1 6 LEU H 1 6 LEU MD1 4.500 . 5.000 3.109 2.124 3.935 . 0 0 "[ . 1 ]" 3
47 1 6 LEU H 1 6 LEU MD2 4.500 . 5.000 3.552 2.161 4.276 . 0 0 "[ . 1 ]" 3
48 1 6 LEU H 1 7 SER H 2.800 . 3.300 2.700 2.478 3.187 . 0 0 "[ . 1 ]" 3
49 1 6 LEU H 1 8 CYS H 4.200 . 4.700 4.177 3.962 4.511 . 0 0 "[ . 1 ]" 3
50 1 6 LEU H 1 9 ARG H 4.500 . 5.000 4.602 4.471 4.734 . 0 0 "[ . 1 ]" 3
51 1 6 LEU H 1 31 CYS HA 4.500 . 5.000 4.143 3.875 4.528 . 0 0 "[ . 1 ]" 3
52 1 6 LEU H 1 32 GLU H 3.400 . 3.900 2.826 2.278 3.259 . 0 0 "[ . 1 ]" 3
53 1 6 LEU H 1 32 GLU HB3 4.500 . 5.000 4.807 4.016 5.023 0.023 9 0 "[ . 1 ]" 3
54 1 6 LEU H 1 32 GLU HB2 4.500 . 5.000 4.028 3.635 5.022 0.022 1 0 "[ . 1 ]" 3
55 1 6 LEU H 1 32 GLU QG 5.500 . 6.000 5.292 2.426 6.004 0.004 2 0 "[ . 1 ]" 3
56 1 6 LEU H 1 33 TYR HA 4.700 . 5.200 4.562 3.530 5.226 0.026 7 0 "[ . 1 ]" 3
57 1 6 LEU H 1 33 TYR QE 4.500 . 5.000 4.980 4.656 5.047 0.047 6 0 "[ . 1 ]" 3
58 1 6 LEU H 1 33 TYR QD 4.500 . 5.000 4.582 4.126 4.926 . 0 0 "[ . 1 ]" 3
59 1 6 LEU HA 1 6 LEU HB2 2.400 . 2.900 2.950 2.935 2.988 0.088 5 0 "[ . 1 ]" 3
60 1 6 LEU HA 1 6 LEU HB3 2.600 . 3.100 2.737 2.663 2.749 . 0 0 "[ . 1 ]" 3
61 1 6 LEU HA 1 6 LEU MD1 4.500 . 5.000 2.839 1.906 3.716 . 0 0 "[ . 1 ]" 3
62 1 6 LEU HA 1 6 LEU MD2 4.500 . 5.000 2.728 2.053 3.579 . 0 0 "[ . 1 ]" 3
63 1 6 LEU HA 1 7 SER H 2.800 . 3.300 3.533 3.498 3.562 0.262 11 0 "[ . 1 ]" 3
64 1 6 LEU HA 1 8 CYS H 4.500 . 5.000 4.589 4.323 4.879 . 0 0 "[ . 1 ]" 3
65 1 6 LEU HA 1 9 ARG H 2.900 . 3.400 3.433 3.297 3.494 0.094 3 0 "[ . 1 ]" 3
66 1 6 LEU HA 1 9 ARG QB 3.500 . 4.000 2.397 2.210 2.574 . 0 0 "[ . 1 ]" 3
67 1 6 LEU HA 1 9 ARG HG3 4.500 . 5.000 4.389 3.352 5.070 0.070 5 0 "[ . 1 ]" 3
68 1 6 LEU HA 1 9 ARG QD 4.500 . 5.000 4.724 3.712 5.052 0.052 9 0 "[ . 1 ]" 3
69 1 6 LEU HA 1 10 LYS H 4.500 . 5.000 4.204 3.953 4.508 . 0 0 "[ . 1 ]" 3
70 1 6 LEU HB2 1 7 SER H 2.800 . 3.300 2.770 2.524 3.025 . 0 0 "[ . 1 ]" 3
71 1 6 LEU HB3 1 7 SER H 3.300 . 3.800 3.011 2.448 3.353 . 0 0 "[ . 1 ]" 3
72 1 6 LEU HG 1 7 SER H 4.500 . 5.000 4.837 4.628 5.035 0.035 6 0 "[ . 1 ]" 3
73 1 6 LEU MD2 1 7 SER H 4.500 . 5.000 4.492 4.100 4.838 . 0 0 "[ . 1 ]" 3
74 1 6 LEU QD 1 9 ARG QB 4.500 . 5.000 3.534 2.902 4.174 . 0 0 "[ . 1 ]" 3
75 1 7 SER H 1 7 SER HA 2.500 . 3.000 2.864 2.778 2.920 . 0 0 "[ . 1 ]" 3
76 1 7 SER H 1 7 SER HB2 2.800 . 3.300 2.126 1.948 3.480 0.180 9 0 "[ . 1 ]" 3
77 1 7 SER H 1 7 SER HB3 2.800 . 3.300 3.097 2.230 3.473 0.173 10 0 "[ . 1 ]" 3
78 1 7 SER H 1 8 CYS H 2.600 . 3.100 2.698 2.455 3.043 . 0 0 "[ . 1 ]" 3
79 1 7 SER H 1 9 ARG H 4.000 . 4.500 3.846 3.721 4.041 . 0 0 "[ . 1 ]" 3
80 1 7 SER HA 1 8 CYS H 4.000 . 4.500 3.569 3.540 3.590 . 0 0 "[ . 1 ]" 3
81 1 7 SER HA 1 10 LYS H 4.500 . 5.000 3.513 3.382 3.694 . 0 0 "[ . 1 ]" 3
82 1 7 SER HB3 1 8 CYS H 2.900 . 3.400 2.827 2.270 3.478 0.078 9 0 "[ . 1 ]" 3
83 1 7 SER HB2 1 8 CYS H 2.900 . 3.400 3.093 2.539 3.466 0.066 9 0 "[ . 1 ]" 3
84 1 8 CYS H 1 8 CYS HA 2.600 . 3.100 2.880 2.841 2.918 . 0 0 "[ . 1 ]" 3
85 1 8 CYS H 1 8 CYS HB3 3.000 . 3.500 3.530 3.517 3.546 0.046 11 0 "[ . 1 ]" 3
86 1 8 CYS H 1 8 CYS HB2 3.000 . 3.500 2.439 2.383 2.487 . 0 0 "[ . 1 ]" 3
87 1 8 CYS H 1 9 ARG H 2.500 . 3.000 2.570 2.456 2.690 . 0 0 "[ . 1 ]" 3
88 1 8 CYS H 1 9 ARG QB 4.500 . 5.000 4.217 3.965 4.407 . 0 0 "[ . 1 ]" 3
89 1 8 CYS HA 1 9 ARG H 3.200 . 3.700 3.501 3.458 3.529 . 0 0 "[ . 1 ]" 3
90 1 8 CYS HA 1 10 LYS H 4.000 . 4.500 4.475 4.125 4.595 0.095 7 0 "[ . 1 ]" 3
91 1 8 CYS HA 1 11 ARG H 3.400 . 3.900 3.559 3.375 3.659 . 0 0 "[ . 1 ]" 3
92 1 8 CYS HA 1 11 ARG HB2 4.000 . 4.500 3.159 2.619 3.453 . 0 0 "[ . 1 ]" 3
93 1 8 CYS HA 1 11 ARG QD 4.500 . 5.000 4.518 3.841 4.997 . 0 0 "[ . 1 ]" 3
94 1 8 CYS HA 1 12 HIS H 4.000 . 4.500 4.359 4.092 4.550 0.050 6 0 "[ . 1 ]" 3
95 1 8 CYS HA 1 13 ILE H 3.500 . 4.000 3.091 2.463 3.561 . 0 0 "[ . 1 ]" 3
96 1 8 CYS HA 1 13 ILE HG13 4.500 . 5.000 2.870 2.218 4.089 . 0 0 "[ . 1 ]" 3
97 1 8 CYS HA 1 13 ILE HG12 4.500 . 5.000 3.576 2.431 4.167 . 0 0 "[ . 1 ]" 3
98 1 8 CYS HA 1 13 ILE MD 4.500 . 5.000 2.605 1.897 4.713 . 0 0 "[ . 1 ]" 3
99 1 8 CYS HB3 1 13 ILE HG13 4.500 . 5.000 4.052 3.124 4.812 . 0 0 "[ . 1 ]" 3
100 1 8 CYS HB3 1 13 ILE HG12 4.500 . 5.000 4.581 1.949 5.031 0.031 11 0 "[ . 1 ]" 3
101 1 8 CYS HB3 1 15 CYS H 4.500 . 5.000 3.489 2.988 4.088 . 0 0 "[ . 1 ]" 3
102 1 8 CYS HB2 1 9 ARG H 2.600 . 3.100 2.867 2.734 3.085 . 0 0 "[ . 1 ]" 3
103 1 9 ARG H 1 9 ARG HA 2.500 . 3.000 2.912 2.890 2.945 . 0 0 "[ . 1 ]" 3
104 1 9 ARG H 1 9 ARG QB 2.100 . 2.600 2.078 1.932 2.207 . 0 0 "[ . 1 ]" 3
105 1 9 ARG H 1 9 ARG HG3 4.500 . 5.000 4.179 3.662 4.498 . 0 0 "[ . 1 ]" 3
106 1 9 ARG H 1 9 ARG HG2 4.500 . 5.000 3.820 2.632 4.592 . 0 0 "[ . 1 ]" 3
107 1 9 ARG H 1 9 ARG QD 4.500 . 5.000 3.752 2.782 4.158 . 0 0 "[ . 1 ]" 3
108 1 9 ARG H 1 10 LYS H 3.500 . 4.000 2.523 2.401 2.610 . 0 0 "[ . 1 ]" 3
109 1 9 ARG H 1 11 ARG H 4.400 . 4.900 3.949 3.701 4.113 . 0 0 "[ . 1 ]" 3
110 1 9 ARG H 1 12 HIS H 4.500 . 5.000 4.550 4.395 4.743 . 0 0 "[ . 1 ]" 3
111 1 9 ARG HA 1 9 ARG QD 4.500 . 5.000 2.007 1.912 2.193 . 0 0 "[ . 1 ]" 3
112 1 9 ARG HA 1 10 LYS H 3.100 . 3.600 3.560 3.523 3.578 . 0 0 "[ . 1 ]" 3
113 1 9 ARG HA 1 11 ARG H 4.200 . 4.700 4.235 4.113 4.405 . 0 0 "[ . 1 ]" 3
114 1 9 ARG HA 1 12 HIS H 3.100 . 3.600 3.256 2.989 3.497 . 0 0 "[ . 1 ]" 3
115 1 9 ARG HA 1 12 HIS HD1 4.500 . 5.000 3.963 3.100 4.917 . 0 0 "[ . 1 ]" 3
116 1 9 ARG HA 1 13 ILE H 4.100 . 4.600 3.891 3.626 4.217 . 0 0 "[ . 1 ]" 3
117 1 9 ARG HG2 1 10 LYS H 4.500 . 5.000 4.786 4.546 5.054 0.054 6 0 "[ . 1 ]" 3
118 1 9 ARG QD 1 10 LYS H 4.500 . 5.000 4.716 4.463 4.877 . 0 0 "[ . 1 ]" 3
119 1 9 ARG QD 1 13 ILE H 4.500 . 5.000 4.983 4.743 5.052 0.052 7 0 "[ . 1 ]" 3
120 1 10 LYS H 1 10 LYS HA 2.500 . 3.000 2.874 2.846 2.911 . 0 0 "[ . 1 ]" 3
121 1 10 LYS H 1 10 LYS QB 2.100 . 2.600 2.227 2.109 2.553 . 0 0 "[ . 1 ]" 3
122 1 10 LYS H 1 10 LYS QG 4.500 . 5.000 3.521 1.996 3.993 . 0 0 "[ . 1 ]" 3
123 1 10 LYS H 1 10 LYS QD 4.500 . 5.000 3.933 3.762 4.083 . 0 0 "[ . 1 ]" 3
124 1 10 LYS H 1 11 ARG H 2.600 . 3.100 2.621 2.510 2.720 . 0 0 "[ . 1 ]" 3
125 1 10 LYS H 1 12 HIS H 3.400 . 3.900 3.809 3.736 3.927 0.027 6 0 "[ . 1 ]" 3
126 1 10 LYS HA 1 10 LYS QG 3.500 . 4.000 2.635 2.356 3.354 . 0 0 "[ . 1 ]" 3
127 1 10 LYS HA 1 11 ARG H 3.300 . 3.800 3.534 3.494 3.562 . 0 0 "[ . 1 ]" 3
128 1 10 LYS HA 1 12 HIS H 4.000 . 4.500 4.054 3.931 4.210 . 0 0 "[ . 1 ]" 3
129 1 10 LYS HA 1 12 HIS HD1 4.500 . 5.000 4.748 3.827 5.020 0.020 12 0 "[ . 1 ]" 3
130 1 10 LYS QB 1 11 ARG H 3.000 . 3.500 2.860 2.515 3.559 0.059 1 0 "[ . 1 ]" 3
131 1 10 LYS QG 1 11 ARG H 4.500 . 5.000 3.530 1.915 4.148 . 0 0 "[ . 1 ]" 3
132 1 10 LYS QD 1 11 ARG H 4.500 . 5.000 3.050 2.755 3.632 . 0 0 "[ . 1 ]" 3
133 1 10 LYS QD 1 11 ARG HB2 3.100 . 3.600 3.729 3.680 3.771 0.171 9 0 "[ . 1 ]" 3
134 1 10 LYS QD 1 11 ARG HD3 4.500 . 5.000 3.749 2.412 4.374 . 0 0 "[ . 1 ]" 3
135 1 10 LYS QD 1 11 ARG HD2 4.500 . 5.000 3.312 1.987 4.222 . 0 0 "[ . 1 ]" 3
136 1 11 ARG H 1 11 ARG HA 2.500 . 3.000 2.987 2.973 3.001 0.001 11 0 "[ . 1 ]" 3
137 1 11 ARG H 1 11 ARG HB2 3.400 . 3.900 2.393 2.293 2.508 . 0 0 "[ . 1 ]" 3
138 1 11 ARG H 1 11 ARG QG 2.500 . 3.000 2.492 2.286 2.647 . 0 0 "[ . 1 ]" 3
139 1 11 ARG H 1 11 ARG HD3 4.500 . 5.000 4.647 3.660 5.031 0.031 5 0 "[ . 1 ]" 3
140 1 11 ARG H 1 11 ARG HD2 4.500 . 5.000 4.547 4.051 4.909 . 0 0 "[ . 1 ]" 3
141 1 11 ARG H 1 12 HIS H 2.500 . 3.000 2.299 2.145 2.347 . 0 0 "[ . 1 ]" 3
142 1 11 ARG H 1 12 HIS HA 4.000 . 4.500 4.534 4.367 4.593 0.093 6 0 "[ . 1 ]" 3
143 1 11 ARG H 1 13 ILE H 3.600 . 4.100 4.046 3.898 4.144 0.044 7 0 "[ . 1 ]" 3
144 1 11 ARG H 1 13 ILE HG12 4.500 . 5.000 4.760 3.637 5.090 0.090 6 0 "[ . 1 ]" 3
145 1 11 ARG HA 1 11 ARG QD 4.500 . 5.000 3.869 3.443 4.152 . 0 0 "[ . 1 ]" 3
146 1 11 ARG HA 1 12 HIS H 4.500 . 5.000 3.295 3.219 3.411 . 0 0 "[ . 1 ]" 3
147 1 11 ARG HA 1 12 HIS HD1 4.500 . 5.000 4.102 2.694 4.932 . 0 0 "[ . 1 ]" 3
148 1 11 ARG HB2 1 12 HIS H 4.500 . 5.000 3.508 3.201 3.660 . 0 0 "[ . 1 ]" 3
149 1 11 ARG HB2 1 13 ILE HG12 4.500 . 5.000 2.891 1.973 3.916 . 0 0 "[ . 1 ]" 3
150 1 11 ARG HB2 1 13 ILE MD 3.500 . 4.000 2.415 1.926 3.585 . 0 0 "[ . 1 ]" 3
151 1 11 ARG QG 1 12 HIS H 3.500 . 4.000 4.219 4.167 4.307 0.307 13 0 "[ . 1 ]" 3
152 1 11 ARG HB3 1 13 ILE HG12 4.500 . 5.000 3.292 2.246 5.026 0.026 6 0 "[ . 1 ]" 3
153 1 11 ARG HB3 1 13 ILE MD 3.500 . 4.000 3.041 2.485 4.020 0.020 6 0 "[ . 1 ]" 3
154 1 11 ARG HD3 1 13 ILE MD 3.500 . 4.000 3.217 2.358 4.011 0.011 10 0 "[ . 1 ]" 3
155 1 11 ARG HD2 1 13 ILE MD 3.500 . 4.000 3.470 2.291 4.001 0.001 6 0 "[ . 1 ]" 3
156 1 12 HIS H 1 12 HIS HA 2.100 . 2.600 2.354 2.348 2.360 . 0 0 "[ . 1 ]" 3
157 1 12 HIS H 1 12 HIS HB2 3.400 . 3.900 3.340 3.074 3.522 . 0 0 "[ . 1 ]" 3
158 1 12 HIS H 1 12 HIS HB3 3.400 . 3.900 4.022 4.000 4.055 0.155 5 0 "[ . 1 ]" 3
159 1 12 HIS H 1 12 HIS HD1 4.500 . 5.000 3.130 2.494 3.789 . 0 0 "[ . 1 ]" 3
160 1 12 HIS H 1 13 ILE H 2.500 . 3.000 3.006 2.889 3.074 0.074 11 0 "[ . 1 ]" 3
161 1 12 HIS HA 1 13 ILE H 2.500 . 3.000 2.638 2.589 2.731 . 0 0 "[ . 1 ]" 3
162 1 12 HIS HB2 1 13 ILE H 4.400 . 4.900 4.409 4.326 4.520 . 0 0 "[ . 1 ]" 3
163 1 12 HIS HB3 1 13 ILE H 4.400 . 4.900 4.394 4.324 4.446 . 0 0 "[ . 1 ]" 3
164 1 13 ILE H 1 13 ILE HA 2.800 . 3.300 2.985 2.976 2.992 . 0 0 "[ . 1 ]" 3
165 1 13 ILE H 1 13 ILE HB 3.500 . 4.000 2.571 2.449 3.706 . 0 0 "[ . 1 ]" 3
166 1 13 ILE H 1 13 ILE MG 4.500 . 5.000 3.634 1.916 3.801 . 0 0 "[ . 1 ]" 3
167 1 13 ILE H 1 13 ILE HG13 4.400 . 4.900 2.719 2.217 3.770 . 0 0 "[ . 1 ]" 3
168 1 13 ILE H 1 13 ILE HG12 4.400 . 4.900 3.210 2.329 3.598 . 0 0 "[ . 1 ]" 3
169 1 13 ILE H 1 13 ILE MD 4.500 . 5.000 3.565 3.348 3.944 . 0 0 "[ . 1 ]" 3
170 1 13 ILE H 1 14 LYS H 4.000 . 4.500 4.557 4.484 4.584 0.084 4 0 "[ . 1 ]" 3
171 1 13 ILE HA 1 13 ILE MD 4.500 . 5.000 3.452 1.993 4.091 . 0 0 "[ . 1 ]" 3
172 1 13 ILE HA 1 14 LYS H 3.000 . 3.500 2.343 2.239 2.641 . 0 0 "[ . 1 ]" 3
173 1 13 ILE HB 1 15 CYS H 4.500 . 5.000 4.230 3.871 5.029 0.029 6 0 "[ . 1 ]" 3
174 1 13 ILE MG 1 14 LYS H 4.500 . 5.000 2.280 1.861 3.996 . 0 0 "[ . 1 ]" 3
175 1 13 ILE MG 1 14 LYS HA 4.500 . 5.000 4.258 4.039 5.437 0.437 6 0 "[ . 1 ]" 3
176 1 13 ILE HG13 1 14 LYS H 4.500 . 5.000 4.825 2.274 5.103 0.103 12 0 "[ . 1 ]" 3
177 1 13 ILE HG12 1 14 LYS H 4.500 . 5.000 4.533 3.708 5.003 0.003 10 0 "[ . 1 ]" 3
178 1 13 ILE MD 1 14 LYS H 4.500 . 5.000 4.516 3.471 5.014 0.014 13 0 "[ . 1 ]" 3
179 1 14 LYS H 1 14 LYS HA 2.400 . 2.900 2.921 2.882 2.978 0.078 6 0 "[ . 1 ]" 3
180 1 14 LYS H 1 14 LYS QB 2.100 . 2.600 2.155 1.942 2.602 0.002 10 0 "[ . 1 ]" 3
181 1 14 LYS H 1 14 LYS HG3 4.500 . 5.000 3.518 2.015 4.722 . 0 0 "[ . 1 ]" 3
182 1 14 LYS H 1 14 LYS HG2 4.500 . 5.000 3.869 2.399 4.607 . 0 0 "[ . 1 ]" 3
183 1 14 LYS H 1 14 LYS QE 4.500 . 5.000 4.211 2.346 4.874 . 0 0 "[ . 1 ]" 3
184 1 14 LYS H 1 15 CYS H 4.000 . 4.500 3.981 3.657 4.158 . 0 0 "[ . 1 ]" 3
185 1 14 LYS HA 1 14 LYS QB 2.500 . 3.000 2.452 2.205 2.550 . 0 0 "[ . 1 ]" 3
186 1 14 LYS HA 1 15 CYS H 2.100 . 2.600 2.428 2.331 2.518 . 0 0 "[ . 1 ]" 3
187 1 14 LYS QB 1 15 CYS H 4.000 . 4.500 3.947 3.849 4.060 . 0 0 "[ . 1 ]" 3
188 1 14 LYS QG 1 15 CYS H 4.500 . 5.000 4.142 3.554 4.554 . 0 0 "[ . 1 ]" 3
189 1 15 CYS H 1 15 CYS HB3 2.500 . 3.000 2.622 2.421 2.881 . 0 0 "[ . 1 ]" 3
190 1 15 CYS H 1 15 CYS HB2 2.500 . 3.000 2.266 2.063 2.437 . 0 0 "[ . 1 ]" 3
191 1 15 CYS HA 1 16 PRO QG 4.000 . 4.500 3.867 3.860 3.892 . 0 0 "[ . 1 ]" 3
192 1 15 CYS HA 1 16 PRO HD3 3.800 . 4.300 2.050 2.021 2.139 . 0 0 "[ . 1 ]" 3
193 1 15 CYS HA 1 16 PRO HD2 3.800 . 4.300 2.339 2.274 2.371 . 0 0 "[ . 1 ]" 3
194 1 15 CYS HA 1 23 LYS HG3 4.500 . 5.000 3.088 2.539 3.676 . 0 0 "[ . 1 ]" 3
195 1 15 CYS HA 1 23 LYS HG2 4.500 . 5.000 4.221 3.551 4.748 . 0 0 "[ . 1 ]" 3
196 1 16 PRO HA 1 17 GLY H 3.200 . 3.700 3.571 3.532 3.594 . 0 0 "[ . 1 ]" 3
197 1 16 PRO QB 1 17 GLY H 3.900 . 4.400 2.450 1.951 3.006 . 0 0 "[ . 1 ]" 3
198 1 16 PRO QB 1 21 CYS HB2 4.500 . 5.000 4.103 3.877 4.297 . 0 0 "[ . 1 ]" 3
199 1 16 PRO QB 1 22 GLN H 4.500 . 5.000 4.048 3.860 4.248 . 0 0 "[ . 1 ]" 3
200 1 16 PRO QB 1 23 LYS H 4.500 . 5.000 4.430 4.251 4.562 . 0 0 "[ . 1 ]" 3
201 1 16 PRO HG3 1 17 GLY H 4.500 . 5.000 4.182 4.020 4.427 . 0 0 "[ . 1 ]" 3
202 1 16 PRO HG3 1 22 GLN H 4.500 . 5.000 3.394 3.173 3.645 . 0 0 "[ . 1 ]" 3
203 1 16 PRO HG3 1 23 LYS H 4.500 . 5.000 2.842 2.562 3.058 . 0 0 "[ . 1 ]" 3
204 1 16 PRO HG2 1 17 GLY H 4.500 . 5.000 3.017 2.786 3.410 . 0 0 "[ . 1 ]" 3
205 1 16 PRO QG 1 21 CYS HB2 4.000 . 4.500 2.790 2.537 2.930 . 0 0 "[ . 1 ]" 3
206 1 16 PRO QG 1 21 CYS HB3 4.000 . 4.500 4.405 4.153 4.515 0.015 6 0 "[ . 1 ]" 3
207 1 16 PRO HG2 1 22 GLN H 4.500 . 5.000 2.161 1.974 2.376 . 0 0 "[ . 1 ]" 3
208 1 16 PRO HG2 1 23 LYS H 4.500 . 5.000 2.734 2.528 2.870 . 0 0 "[ . 1 ]" 3
209 1 16 PRO QG 1 23 LYS QG 4.500 . 5.000 2.797 2.487 3.229 . 0 0 "[ . 1 ]" 3
210 1 16 PRO QG 1 23 LYS HB3 4.500 . 5.000 4.930 4.767 5.022 0.022 12 0 "[ . 1 ]" 3
211 1 16 PRO HD3 1 17 GLY H 4.500 . 5.000 4.113 3.925 4.321 . 0 0 "[ . 1 ]" 3
212 1 16 PRO QD 1 21 CYS HB3 4.500 . 5.000 3.765 3.595 4.117 . 0 0 "[ . 1 ]" 3
213 1 16 PRO QD 1 21 CYS HB2 4.500 . 5.000 2.283 2.092 2.640 . 0 0 "[ . 1 ]" 3
214 1 16 PRO QD 1 22 GLN H 4.500 . 5.000 2.650 2.449 2.812 . 0 0 "[ . 1 ]" 3
215 1 16 PRO QD 1 23 LYS H 4.500 . 5.000 2.516 2.341 2.731 . 0 0 "[ . 1 ]" 3
216 1 16 PRO HD3 1 23 LYS HB3 4.500 . 5.000 4.040 3.806 4.244 . 0 0 "[ . 1 ]" 3
217 1 16 PRO HD3 1 23 LYS QG 4.500 . 5.000 2.187 1.894 2.542 . 0 0 "[ . 1 ]" 3
218 1 16 PRO HD2 1 17 GLY H 4.500 . 5.000 2.878 2.658 3.152 . 0 0 "[ . 1 ]" 3
219 1 16 PRO HD2 1 23 LYS HB3 4.500 . 5.000 4.729 4.335 4.957 . 0 0 "[ . 1 ]" 3
220 1 16 PRO HD2 1 23 LYS QG 4.500 . 5.000 3.505 3.128 3.831 . 0 0 "[ . 1 ]" 3
221 1 17 GLY H 1 17 GLY HA3 2.500 . 3.000 2.977 2.947 2.993 . 0 0 "[ . 1 ]" 3
222 1 17 GLY H 1 17 GLY HA2 2.500 . 3.000 2.560 2.436 2.702 . 0 0 "[ . 1 ]" 3
223 1 17 GLY H 1 18 GLY H 3.400 . 3.900 2.919 2.389 3.135 . 0 0 "[ . 1 ]" 3
224 1 17 GLY H 1 21 CYS HB2 4.200 . 4.700 3.028 2.711 3.337 . 0 0 "[ . 1 ]" 3
225 1 17 GLY H 1 21 CYS HB3 4.200 . 4.700 3.933 3.675 4.261 . 0 0 "[ . 1 ]" 3
226 1 17 GLY HA3 1 18 GLY H 3.000 . 3.500 3.526 3.493 3.576 0.076 5 0 "[ . 1 ]" 3
227 1 17 GLY QA 1 33 TYR QE 4.500 . 5.000 4.210 3.811 4.485 . 0 0 "[ . 1 ]" 3
228 1 17 GLY QA 1 21 CYS HB2 4.100 . 5.600 4.459 4.178 4.614 . 0 0 "[ . 1 ]" 3
229 1 17 GLY QA 1 21 CYS HB3 4.400 . 5.900 4.481 4.106 4.725 . 0 0 "[ . 1 ]" 3
230 1 17 GLY HA2 1 18 GLY H 3.000 . 3.500 2.362 2.286 2.659 . 0 0 "[ . 1 ]" 3
231 1 18 GLY H 1 21 CYS H 4.500 . 5.000 4.769 4.285 4.994 . 0 0 "[ . 1 ]" 3
232 1 18 GLY H 1 21 CYS HA 3.800 . 4.300 2.947 2.409 3.124 . 0 0 "[ . 1 ]" 3
233 1 18 GLY H 1 21 CYS HB3 4.000 . 4.500 3.058 2.622 3.520 . 0 0 "[ . 1 ]" 3
234 1 18 GLY H 1 33 TYR QE 4.500 . 5.000 3.295 3.063 3.487 . 0 0 "[ . 1 ]" 3
235 1 18 GLY HA3 1 19 ASN H 3.400 . 3.900 2.669 2.492 2.812 . 0 0 "[ . 1 ]" 3
236 1 18 GLY HA2 1 19 ASN H 3.400 . 3.900 2.558 2.427 2.735 . 0 0 "[ . 1 ]" 3
237 1 18 GLY QA 1 21 CYS HA 4.500 . 5.000 2.545 2.246 2.916 . 0 0 "[ . 1 ]" 3
238 1 19 ASN H 1 19 ASN HB2 3.100 . 3.600 2.560 2.442 2.662 . 0 0 "[ . 1 ]" 3
239 1 19 ASN H 1 19 ASN HB3 3.200 . 3.700 3.564 3.504 3.620 . 0 0 "[ . 1 ]" 3
240 1 19 ASN HA 1 19 ASN HB3 2.900 . 3.400 2.752 2.751 2.754 . 0 0 "[ . 1 ]" 3
241 1 19 ASN HA 1 19 ASN HD21 4.500 . 5.000 2.109 1.973 2.311 . 0 0 "[ . 1 ]" 3
242 1 19 ASN HA 1 19 ASN HD22 4.500 . 5.000 3.248 3.190 3.329 . 0 0 "[ . 1 ]" 3
243 1 19 ASN HA 1 20 PRO HA 2.300 . 2.800 1.974 1.952 1.986 . 0 0 "[ . 1 ]" 3
244 1 19 ASN HA 1 20 PRO HB3 4.300 . 4.800 4.213 4.195 4.222 . 0 0 "[ . 1 ]" 3
245 1 19 ASN HA 1 20 PRO HB2 4.300 . 4.800 4.469 4.442 4.501 . 0 0 "[ . 1 ]" 3
246 1 19 ASN HA 1 21 CYS H 3.800 . 4.300 3.310 2.923 3.669 . 0 0 "[ . 1 ]" 3
247 1 19 ASN HA 1 31 CYS HB2 4.500 . 5.000 3.871 3.635 4.104 . 0 0 "[ . 1 ]" 3
248 1 19 ASN HA 1 33 TYR QE 4.500 . 5.000 3.530 3.422 3.599 . 0 0 "[ . 1 ]" 3
249 1 19 ASN HA 1 33 TYR QD 4.500 . 5.000 4.898 4.726 5.006 0.006 9 0 "[ . 1 ]" 3
250 1 19 ASN HB2 1 20 PRO HA 4.500 . 5.000 4.783 4.753 4.806 . 0 0 "[ . 1 ]" 3
251 1 19 ASN HB2 1 33 TYR QE 4.500 . 5.000 3.797 3.569 4.006 . 0 0 "[ . 1 ]" 3
252 1 19 ASN HB3 1 33 TYR QE 4.500 . 5.000 4.618 4.484 4.821 . 0 0 "[ . 1 ]" 3
253 1 19 ASN HB3 1 33 TYR QD 4.500 . 5.000 5.008 4.784 5.070 0.070 7 0 "[ . 1 ]" 3
254 1 19 ASN QD 1 20 PRO HA 4.500 . 5.000 2.711 2.621 2.756 . 0 0 "[ . 1 ]" 3
255 1 19 ASN QD 1 20 PRO HB3 4.500 . 5.000 4.527 4.449 4.563 . 0 0 "[ . 1 ]" 3
256 1 19 ASN QD 1 20 PRO QG 4.500 . 5.000 5.093 5.058 5.124 0.124 3 0 "[ . 1 ]" 3
257 1 19 ASN HD21 1 33 TYR QE 4.500 3.800 5.000 3.771 3.765 3.783 0.035 9 0 "[ . 1 ]" 3
258 1 19 ASN HD21 1 33 TYR QD 4.500 . 5.000 4.040 3.617 4.214 . 0 0 "[ . 1 ]" 3
259 1 19 ASN HD22 1 33 TYR QE 4.500 . 5.000 2.995 2.847 3.173 . 0 0 "[ . 1 ]" 3
260 1 19 ASN HD22 1 33 TYR QD 4.500 . 5.000 2.554 2.032 2.786 . 0 0 "[ . 1 ]" 3
261 1 20 PRO HA 1 20 PRO HB3 3.000 . 3.500 2.272 2.270 2.276 . 0 0 "[ . 1 ]" 3
262 1 20 PRO HA 1 20 PRO HD3 4.500 . 5.000 3.781 3.758 3.806 . 0 0 "[ . 1 ]" 3
263 1 20 PRO HA 1 20 PRO HD2 4.500 . 5.000 4.080 4.076 4.085 . 0 0 "[ . 1 ]" 3
264 1 20 PRO HA 1 21 CYS H 3.200 . 3.700 2.441 2.323 2.567 . 0 0 "[ . 1 ]" 3
265 1 20 PRO HA 1 31 CYS H 4.400 . 4.900 4.687 4.513 4.901 0.001 9 0 "[ . 1 ]" 3
266 1 20 PRO HA 1 31 CYS HB2 4.500 . 5.000 2.197 2.000 2.362 . 0 0 "[ . 1 ]" 3
267 1 20 PRO HA 1 31 CYS HB3 4.500 . 5.000 3.088 2.912 3.320 . 0 0 "[ . 1 ]" 3
268 1 20 PRO HA 1 33 TYR QE 4.500 . 5.000 4.975 4.883 5.027 0.027 4 0 "[ . 1 ]" 3
269 1 20 PRO HB3 1 21 CYS H 4.500 . 5.000 3.301 3.098 3.532 . 0 0 "[ . 1 ]" 3
270 1 20 PRO HB3 1 25 VAL MG1 3.500 . 4.000 4.084 4.049 4.146 0.146 4 0 "[ . 1 ]" 3
271 1 20 PRO HB3 1 31 CYS H 4.500 . 5.000 3.571 3.418 3.658 . 0 0 "[ . 1 ]" 3
272 1 20 PRO HB2 1 21 CYS H 4.500 . 5.000 2.993 2.663 3.331 . 0 0 "[ . 1 ]" 3
273 1 20 PRO HB2 1 25 VAL MG1 3.500 . 4.000 3.084 2.959 3.193 . 0 0 "[ . 1 ]" 3
274 1 20 PRO HB2 1 31 CYS H 4.500 . 5.000 4.936 4.656 5.050 0.050 1 0 "[ . 1 ]" 3
275 1 20 PRO HG3 1 25 VAL MG1 3.500 . 4.000 4.091 4.027 4.154 0.154 8 0 "[ . 1 ]" 3
276 1 20 PRO HG2 1 25 VAL MG1 3.500 . 4.000 2.972 2.722 3.091 . 0 0 "[ . 1 ]" 3
277 1 20 PRO QG 1 31 CYS H 4.500 . 5.000 4.951 4.756 5.027 0.027 11 0 "[ . 1 ]" 3
278 1 21 CYS H 1 22 GLN H 4.300 . 4.800 4.162 4.048 4.248 . 0 0 "[ . 1 ]" 3
279 1 21 CYS H 1 31 CYS HB3 4.500 . 5.000 1.919 1.898 1.937 . 0 0 "[ . 1 ]" 3
280 1 21 CYS H 1 31 CYS HB2 4.500 . 5.000 2.530 2.347 2.752 . 0 0 "[ . 1 ]" 3
281 1 21 CYS HA 1 21 CYS HB2 2.900 . 3.400 2.467 2.455 2.482 . 0 0 "[ . 1 ]" 3
282 1 21 CYS HA 1 21 CYS HB3 2.900 . 3.400 2.487 2.473 2.497 . 0 0 "[ . 1 ]" 3
283 1 21 CYS HA 1 22 GLN H 3.000 . 3.500 3.136 3.105 3.168 . 0 0 "[ . 1 ]" 3
284 1 21 CYS HA 1 23 LYS H 4.500 . 5.000 5.070 5.042 5.091 0.091 3 0 "[ . 1 ]" 3
285 1 21 CYS HB2 1 22 GLN H 3.300 . 3.800 1.966 1.937 2.003 . 0 0 "[ . 1 ]" 3
286 1 21 CYS HB3 1 22 GLN H 3.300 . 3.800 3.440 3.430 3.460 . 0 0 "[ . 1 ]" 3
287 1 22 GLN H 1 22 GLN HA 2.700 . 3.200 2.992 2.988 2.996 . 0 0 "[ . 1 ]" 3
288 1 22 GLN H 1 22 GLN HB2 2.800 . 3.300 3.032 2.972 3.120 . 0 0 "[ . 1 ]" 3
289 1 22 GLN H 1 22 GLN HB3 2.600 . 3.100 2.738 2.635 2.820 . 0 0 "[ . 1 ]" 3
290 1 22 GLN H 1 22 GLN QG 4.500 . 5.000 4.128 4.070 4.189 . 0 0 "[ . 1 ]" 3
291 1 22 GLN H 1 23 LYS H 3.300 . 3.800 1.946 1.923 1.990 . 0 0 "[ . 1 ]" 3
292 1 22 GLN H 1 24 CYS H 4.200 . 4.700 3.270 3.228 3.316 . 0 0 "[ . 1 ]" 3
293 1 22 GLN HA 1 22 GLN HB3 2.900 . 3.400 3.030 3.023 3.035 . 0 0 "[ . 1 ]" 3
294 1 22 GLN HA 1 23 LYS H 3.400 . 3.900 3.567 3.563 3.574 . 0 0 "[ . 1 ]" 3
295 1 22 GLN HA 1 24 CYS H 3.600 . 4.100 3.976 3.881 4.056 . 0 0 "[ . 1 ]" 3
296 1 22 GLN HA 1 25 VAL H 2.800 . 3.300 3.272 3.156 3.346 0.046 3 0 "[ . 1 ]" 3
297 1 22 GLN HA 1 25 VAL HB 2.400 . 2.900 2.481 2.374 2.572 . 0 0 "[ . 1 ]" 3
298 1 22 GLN HA 1 25 VAL MG2 4.500 . 5.000 2.471 2.280 2.650 . 0 0 "[ . 1 ]" 3
299 1 22 GLN HA 1 26 THR H 3.100 . 3.600 3.567 3.501 3.626 0.026 1 0 "[ . 1 ]" 3
300 1 22 GLN HB2 1 23 LYS H 3.300 . 3.800 3.790 3.706 3.841 0.041 3 0 "[ . 1 ]" 3
301 1 22 GLN HB3 1 23 LYS H 3.100 . 3.600 2.552 2.493 2.609 . 0 0 "[ . 1 ]" 3
302 1 22 GLN QG 1 23 LYS H 4.500 . 5.000 3.750 3.564 3.891 . 0 0 "[ . 1 ]" 3
303 1 22 GLN QG 1 24 CYS H 4.500 . 5.000 4.983 4.919 5.027 0.027 6 0 "[ . 1 ]" 3
304 1 22 GLN QG 1 25 VAL H 4.500 . 5.000 4.841 4.714 4.939 . 0 0 "[ . 1 ]" 3
305 1 22 GLN QG 1 25 VAL MG2 4.500 . 5.000 4.408 4.122 4.631 . 0 0 "[ . 1 ]" 3
306 1 22 GLN QG 1 26 THR H 4.500 . 5.000 3.843 3.733 3.992 . 0 0 "[ . 1 ]" 3
307 1 22 GLN HE21 1 25 VAL MG2 4.500 . 5.000 3.993 3.693 4.691 . 0 0 "[ . 1 ]" 3
308 1 22 GLN HE21 1 25 VAL MG1 4.500 . 5.000 3.712 3.365 4.167 . 0 0 "[ . 1 ]" 3
309 1 22 GLN HE22 1 25 VAL MG2 4.500 . 5.000 4.619 4.004 5.002 0.002 9 0 "[ . 1 ]" 3
310 1 22 GLN HE22 1 25 VAL MG1 4.500 . 5.000 4.014 3.150 4.907 . 0 0 "[ . 1 ]" 3
311 1 23 LYS H 1 23 LYS HA 2.700 . 3.200 2.841 2.818 2.854 . 0 0 "[ . 1 ]" 3
312 1 23 LYS H 1 23 LYS HB2 2.600 . 3.100 2.086 2.009 2.178 . 0 0 "[ . 1 ]" 3
313 1 23 LYS H 1 23 LYS QG 4.500 . 5.000 2.683 2.417 2.934 . 0 0 "[ . 1 ]" 3
314 1 23 LYS H 1 24 CYS H 2.600 . 3.100 2.728 2.681 2.779 . 0 0 "[ . 1 ]" 3
315 1 23 LYS H 1 25 VAL H 3.700 . 4.200 4.202 4.174 4.230 0.030 8 0 "[ . 1 ]" 3
316 1 23 LYS H 1 26 THR H 4.400 . 4.900 4.746 4.703 4.806 . 0 0 "[ . 1 ]" 3
317 1 23 LYS HA 1 23 LYS QD 4.500 . 5.000 2.461 1.900 3.861 . 0 0 "[ . 1 ]" 3
318 1 23 LYS HA 1 24 CYS H 2.900 . 3.400 3.503 3.486 3.515 0.115 13 0 "[ . 1 ]" 3
319 1 23 LYS HA 1 24 CYS HA 4.500 . 5.000 4.672 4.662 4.681 . 0 0 "[ . 1 ]" 3
320 1 23 LYS HA 1 26 THR H 3.500 . 4.000 4.018 3.997 4.054 0.054 11 0 "[ . 1 ]" 3
321 1 23 LYS HB2 1 24 CYS H 2.800 . 3.300 3.032 2.943 3.108 . 0 0 "[ . 1 ]" 3
322 1 23 LYS QG 1 24 CYS H 4.500 . 5.000 4.432 4.346 4.510 . 0 0 "[ . 1 ]" 3
323 1 23 LYS HB3 1 23 LYS QE 4.500 . 5.000 3.810 3.506 4.060 . 0 0 "[ . 1 ]" 3
324 1 23 LYS HB3 1 24 CYS H 4.500 . 5.000 3.537 3.405 3.670 . 0 0 "[ . 1 ]" 3
325 1 24 CYS H 1 24 CYS HA 2.800 . 3.300 2.974 2.971 2.981 . 0 0 "[ . 1 ]" 3
326 1 24 CYS H 1 24 CYS HB2 2.700 . 3.200 2.079 2.042 2.117 . 0 0 "[ . 1 ]" 3
327 1 24 CYS H 1 24 CYS HB3 3.500 . 4.000 3.439 3.399 3.470 . 0 0 "[ . 1 ]" 3
328 1 24 CYS H 1 25 VAL H 3.200 . 3.700 2.210 2.171 2.225 . 0 0 "[ . 1 ]" 3
329 1 24 CYS H 1 25 VAL HA 4.200 . 4.700 4.936 4.903 4.951 0.251 8 0 "[ . 1 ]" 3
330 1 24 CYS H 1 25 VAL MG2 4.000 . 4.500 3.261 3.218 3.292 . 0 0 "[ . 1 ]" 3
331 1 24 CYS H 1 26 THR H 3.100 . 3.600 3.565 3.536 3.597 . 0 0 "[ . 1 ]" 3
332 1 24 CYS H 1 31 CYS HB3 4.500 . 5.000 5.122 5.091 5.153 0.153 6 0 "[ . 1 ]" 3
333 1 24 CYS HA 1 24 CYS HB2 2.600 . 3.100 2.980 2.964 2.989 . 0 0 "[ . 1 ]" 3
334 1 24 CYS HA 1 24 CYS HB3 2.900 . 3.400 2.636 2.610 2.673 . 0 0 "[ . 1 ]" 3
335 1 24 CYS HA 1 25 VAL H 3.700 . 4.200 3.554 3.549 3.558 . 0 0 "[ . 1 ]" 3
336 1 24 CYS HA 1 26 THR MG 3.000 . 3.500 3.467 3.417 3.501 0.001 8 0 "[ . 1 ]" 3
337 1 24 CYS HA 1 27 SER H 3.300 . 3.800 3.095 2.866 3.207 . 0 0 "[ . 1 ]" 3
338 1 24 CYS HB2 1 25 VAL H 3.100 . 3.600 2.603 2.551 2.651 . 0 0 "[ . 1 ]" 3
339 1 24 CYS HB2 1 26 THR MG 4.100 . 4.600 4.828 4.806 4.846 0.246 7 0 "[ . 1 ]" 3
340 1 24 CYS HB2 1 29 ALA H 4.500 . 5.000 4.580 4.492 4.732 . 0 0 "[ . 1 ]" 3
341 1 24 CYS HB2 1 31 CYS H 4.500 . 5.000 5.014 4.919 5.088 0.088 11 0 "[ . 1 ]" 3
342 1 24 CYS HB2 1 31 CYS HA 4.500 . 5.000 4.003 3.855 4.193 . 0 0 "[ . 1 ]" 3
343 1 24 CYS HB2 1 31 CYS HB3 4.500 . 5.000 3.718 3.672 3.742 . 0 0 "[ . 1 ]" 3
344 1 24 CYS HB3 1 25 VAL H 2.800 . 3.300 3.296 3.215 3.328 0.028 1 0 "[ . 1 ]" 3
345 1 24 CYS HB3 1 26 THR MG 4.500 . 5.000 5.197 5.180 5.214 0.214 7 0 "[ . 1 ]" 3
346 1 24 CYS HB3 1 31 CYS HA 4.500 . 5.000 4.151 3.959 4.319 . 0 0 "[ . 1 ]" 3
347 1 24 CYS HB3 1 31 CYS HB3 4.500 . 5.000 4.573 4.493 4.656 . 0 0 "[ . 1 ]" 3
348 1 25 VAL H 1 25 VAL HA 2.600 . 3.100 2.857 2.844 2.864 . 0 0 "[ . 1 ]" 3
349 1 25 VAL H 1 25 VAL HB 2.300 . 2.800 2.716 2.684 2.740 . 0 0 "[ . 1 ]" 3
350 1 25 VAL H 1 25 VAL MG2 4.500 . 5.000 1.844 1.830 1.860 . 0 0 "[ . 1 ]" 3
351 1 25 VAL H 1 25 VAL MG1 4.500 . 5.000 3.703 3.698 3.707 . 0 0 "[ . 1 ]" 3
352 1 25 VAL H 1 26 THR H 2.600 . 3.100 2.529 2.507 2.563 . 0 0 "[ . 1 ]" 3
353 1 25 VAL H 1 26 THR HA 4.500 . 5.000 5.235 5.214 5.273 0.273 1 0 "[ . 1 ]" 3
354 1 25 VAL H 1 31 CYS HB3 4.500 . 5.000 5.104 5.059 5.147 0.147 8 0 "[ . 1 ]" 3
355 1 25 VAL HA 1 26 THR H 3.300 . 3.800 3.488 3.485 3.493 . 0 0 "[ . 1 ]" 3
356 1 25 VAL HA 1 27 SER H 4.000 . 4.500 4.428 4.357 4.487 . 0 0 "[ . 1 ]" 3
357 1 25 VAL HA 1 29 ALA H 3.600 . 4.100 3.971 3.264 4.177 0.077 9 0 "[ . 1 ]" 3
358 1 25 VAL HB 1 26 THR H 3.500 . 4.000 2.692 2.649 2.733 . 0 0 "[ . 1 ]" 3
359 1 25 VAL MG2 1 26 THR H 4.500 . 5.000 3.523 3.487 3.562 . 0 0 "[ . 1 ]" 3
360 1 25 VAL MG1 1 26 THR H 4.500 . 5.000 3.881 3.857 3.918 . 0 0 "[ . 1 ]" 3
361 1 26 THR H 1 26 THR HA 2.500 . 3.000 2.901 2.889 2.918 . 0 0 "[ . 1 ]" 3
362 1 26 THR H 1 26 THR HB 2.600 . 3.100 2.426 2.413 2.457 . 0 0 "[ . 1 ]" 3
363 1 26 THR H 1 27 SER H 2.800 . 3.300 2.480 2.343 2.555 . 0 0 "[ . 1 ]" 3
364 1 26 THR HA 1 27 SER H 3.500 . 4.000 3.548 3.514 3.563 . 0 0 "[ . 1 ]" 3
365 1 26 THR HB 1 27 SER H 3.000 . 3.500 3.807 3.782 3.836 0.336 10 0 "[ . 1 ]" 3
366 1 26 THR MG 1 27 SER H 4.500 . 5.000 1.825 1.807 1.844 . 0 0 "[ . 1 ]" 3
367 1 26 THR MG 1 27 SER HA 3.500 . 4.000 3.345 3.296 3.428 . 0 0 "[ . 1 ]" 3
368 1 26 THR MG 1 27 SER HB3 4.500 . 5.000 4.118 4.040 4.171 . 0 0 "[ . 1 ]" 3
369 1 26 THR MG 1 27 SER HB2 4.500 . 5.000 2.957 2.796 3.179 . 0 0 "[ . 1 ]" 3
370 1 27 SER H 1 27 SER HA 2.900 . 3.400 2.952 2.942 2.976 . 0 0 "[ . 1 ]" 3
371 1 27 SER H 1 27 SER HB2 3.000 . 3.500 2.120 2.032 2.309 . 0 0 "[ . 1 ]" 3
372 1 27 SER H 1 27 SER HB3 3.000 . 3.500 3.447 3.355 3.567 0.067 11 0 "[ . 1 ]" 3
373 1 27 SER H 1 28 ASN H 2.500 . 3.000 2.981 2.725 3.065 0.065 10 0 "[ . 1 ]" 3
374 1 27 SER H 1 28 ASN HA 4.000 . 4.500 4.750 4.701 4.775 0.275 2 0 "[ . 1 ]" 3
375 1 27 SER H 1 29 ALA H 3.500 . 4.000 4.085 3.984 4.130 0.130 3 0 "[ . 1 ]" 3
376 1 27 SER HA 1 27 SER HB3 2.600 . 3.100 2.663 2.516 2.748 . 0 0 "[ . 1 ]" 3
377 1 27 SER HA 1 28 ASN H 3.200 . 3.700 3.416 3.015 3.533 . 0 0 "[ . 1 ]" 3
378 1 27 SER HA 1 28 ASN HD21 4.500 . 5.000 4.042 2.848 5.144 0.144 1 0 "[ . 1 ]" 3
379 1 27 SER HA 1 28 ASN HD22 4.500 . 5.000 4.318 3.689 4.698 . 0 0 "[ . 1 ]" 3
380 1 28 ASN H 1 28 ASN HA 2.100 . 2.600 2.688 2.335 2.803 0.203 12 0 "[ . 1 ]" 3
381 1 28 ASN H 1 28 ASN HB3 3.800 . 4.300 3.531 2.851 3.793 . 0 0 "[ . 1 ]" 3
382 1 28 ASN H 1 28 ASN HB2 3.500 . 4.000 4.016 3.911 4.043 0.043 8 0 "[ . 1 ]" 3
383 1 28 ASN H 1 29 ALA H 2.500 . 3.000 2.219 1.934 3.145 0.145 6 0 "[ . 1 ]" 3
384 1 28 ASN H 1 29 ALA MB 3.500 2.700 4.000 3.305 2.927 4.200 0.200 1 0 "[ . 1 ]" 3
385 1 28 ASN HA 1 28 ASN HB3 2.500 . 3.000 2.378 2.320 2.483 . 0 0 "[ . 1 ]" 3
386 1 28 ASN HA 1 28 ASN HB2 2.800 . 3.300 2.565 2.424 2.640 . 0 0 "[ . 1 ]" 3
387 1 28 ASN HA 1 29 ALA H 2.600 . 3.100 2.751 2.477 2.844 . 0 0 "[ . 1 ]" 3
388 1 28 ASN HB3 1 29 ALA H 3.800 . 4.300 4.617 4.573 4.639 0.339 7 0 "[ . 1 ]" 3
389 1 28 ASN HB2 1 29 ALA H 3.800 . 4.300 4.373 4.318 4.394 0.094 12 0 "[ . 1 ]" 3
390 1 29 ALA H 1 29 ALA HA 2.700 . 3.200 3.004 3.000 3.006 . 0 0 "[ . 1 ]" 3
391 1 29 ALA H 1 29 ALA MB 1.900 . 2.400 2.279 2.193 2.354 . 0 0 "[ . 1 ]" 3
392 1 29 ALA H 1 30 ILE H 4.000 . 4.500 4.524 4.455 4.550 0.050 13 0 "[ . 1 ]" 3
393 1 29 ALA HA 1 30 ILE H 2.100 . 2.600 2.386 2.319 2.617 0.017 1 0 "[ . 1 ]" 3
394 1 29 ALA MB 1 30 ILE H 3.000 . 3.500 2.723 2.421 2.974 . 0 0 "[ . 1 ]" 3
395 1 30 ILE H 1 30 ILE HA 2.800 . 3.300 2.915 2.880 2.968 . 0 0 "[ . 1 ]" 3
396 1 30 ILE H 1 30 ILE HB 2.200 . 2.700 2.462 2.423 2.515 . 0 0 "[ . 1 ]" 3
397 1 30 ILE H 1 30 ILE HG13 4.500 . 5.000 2.325 1.938 3.429 . 0 0 "[ . 1 ]" 3
398 1 30 ILE H 1 30 ILE HG12 4.500 . 5.000 2.979 1.929 3.545 . 0 0 "[ . 1 ]" 3
399 1 30 ILE H 1 30 ILE MD 4.500 . 5.000 3.367 2.941 3.655 . 0 0 "[ . 1 ]" 3
400 1 30 ILE H 1 31 CYS H 3.800 . 4.300 4.570 4.506 4.599 0.299 10 0 "[ . 1 ]" 3
401 1 30 ILE HA 1 30 ILE HB 2.900 . 3.400 3.032 3.027 3.035 . 0 0 "[ . 1 ]" 3
402 1 30 ILE HA 1 30 ILE MD 4.500 . 5.000 3.408 1.965 3.884 . 0 0 "[ . 1 ]" 3
403 1 30 ILE HA 1 31 CYS H 2.000 . 2.500 2.211 2.155 2.240 . 0 0 "[ . 1 ]" 3
404 1 30 ILE HB 1 31 CYS H 3.400 . 3.900 4.022 3.955 4.145 0.245 6 0 "[ . 1 ]" 3
405 1 30 ILE HG12 1 31 CYS H 4.500 . 5.000 4.645 4.485 5.078 0.078 6 0 "[ . 1 ]" 3
406 1 30 ILE MG 1 32 GLU H 4.500 . 5.000 4.176 3.866 4.545 . 0 0 "[ . 1 ]" 3
407 1 30 ILE MD 1 31 CYS H 4.500 . 5.000 4.689 3.477 5.079 0.079 10 0 "[ . 1 ]" 3
408 1 30 ILE MD 1 32 GLU QG 4.500 . 5.000 4.832 4.615 5.004 0.004 10 0 "[ . 1 ]" 3
409 1 31 CYS H 1 31 CYS HA 3.000 . 3.500 2.989 2.986 2.993 . 0 0 "[ . 1 ]" 3
410 1 31 CYS H 1 31 CYS HB2 2.600 . 3.100 2.690 2.637 2.734 . 0 0 "[ . 1 ]" 3
411 1 31 CYS H 1 31 CYS HB3 3.000 . 3.500 3.690 3.673 3.714 0.214 1 0 "[ . 1 ]" 3
412 1 31 CYS H 1 32 GLU H 4.000 . 4.500 4.292 4.215 4.421 . 0 0 "[ . 1 ]" 3
413 1 31 CYS HA 1 31 CYS HB2 2.900 . 3.400 3.024 3.019 3.031 . 0 0 "[ . 1 ]" 3
414 1 31 CYS HA 1 31 CYS HB3 2.800 . 3.300 2.371 2.357 2.389 . 0 0 "[ . 1 ]" 3
415 1 31 CYS HA 1 32 GLU H 2.100 . 2.600 2.232 2.219 2.249 . 0 0 "[ . 1 ]" 3
416 1 31 CYS HA 1 32 GLU QG 4.500 . 5.000 4.395 3.603 4.878 . 0 0 "[ . 1 ]" 3
417 1 31 CYS HB2 1 32 GLU H 4.500 . 5.000 4.251 4.096 4.339 . 0 0 "[ . 1 ]" 3
418 1 31 CYS HB3 1 32 GLU H 3.400 . 3.900 3.787 3.559 3.915 0.015 3 0 "[ . 1 ]" 3
419 2 3 VAL HA 2 4 ALA H 2.500 . 3.000 2.337 2.210 2.823 . 0 0 "[ . 1 ]" 3
420 2 3 VAL HB 2 4 ALA H 4.500 . 5.000 4.270 3.549 4.487 . 0 0 "[ . 1 ]" 3
421 2 4 ALA H 2 4 ALA HA 3.000 . 3.500 2.967 2.819 3.004 . 0 0 "[ . 1 ]" 3
422 2 4 ALA H 2 4 ALA MB 2.300 . 2.800 2.309 1.999 2.753 . 0 0 "[ . 1 ]" 3
423 2 4 ALA H 2 5 CYS H 4.300 . 4.800 4.534 4.402 4.693 . 0 0 "[ . 1 ]" 3
424 2 4 ALA HA 2 5 CYS H 2.200 . 2.700 2.411 2.328 2.515 . 0 0 "[ . 1 ]" 3
425 2 4 ALA HA 2 8 CYS HB3 4.500 . 5.000 4.452 4.111 4.913 . 0 0 "[ . 1 ]" 3
426 2 4 ALA HA 2 15 CYS H 4.000 . 4.500 4.121 3.738 4.399 . 0 0 "[ . 1 ]" 3
427 2 4 ALA HA 2 15 CYS HB3 3.700 . 4.200 2.282 1.983 2.695 . 0 0 "[ . 1 ]" 3
428 2 4 ALA HA 2 15 CYS HB2 4.500 . 5.000 2.535 2.223 3.126 . 0 0 "[ . 1 ]" 3
429 2 4 ALA HA 2 33 TYR QE 6.500 . 7.000 2.928 2.840 3.115 . 0 0 "[ . 1 ]" 3
430 2 4 ALA MB 2 5 CYS H 2.300 . 2.800 2.672 2.396 2.815 0.015 13 0 "[ . 1 ]" 3
431 2 4 ALA MB 2 8 CYS HB2 4.500 . 5.000 2.082 1.922 2.288 . 0 0 "[ . 1 ]" 3
432 2 4 ALA MB 2 9 ARG HA 4.500 . 5.000 3.285 2.931 3.828 . 0 0 "[ . 1 ]" 3
433 2 4 ALA MB 2 9 ARG QB 4.000 . 4.500 3.518 2.915 4.067 . 0 0 "[ . 1 ]" 3
434 2 4 ALA MB 2 15 CYS H 4.500 . 5.000 2.774 2.530 3.058 . 0 0 "[ . 1 ]" 3
435 2 4 ALA MB 2 15 CYS HB3 3.000 . 3.500 2.634 2.113 3.174 . 0 0 "[ . 1 ]" 3
436 2 4 ALA MB 2 15 CYS HB2 3.400 . 3.900 2.132 1.907 2.593 . 0 0 "[ . 1 ]" 3
437 2 4 ALA MB 2 33 TYR QE 4.500 . 5.000 4.088 3.924 4.290 . 0 0 "[ . 1 ]" 3
438 2 5 CYS H 2 5 CYS HA 2.800 . 3.300 2.863 2.824 2.915 . 0 0 "[ . 1 ]" 3
439 2 5 CYS H 2 5 CYS HB2 3.500 . 4.000 2.466 2.434 2.505 . 0 0 "[ . 1 ]" 3
440 2 5 CYS H 2 5 CYS HB3 3.000 . 3.500 3.531 3.525 3.545 0.045 12 0 "[ . 1 ]" 3
441 2 5 CYS H 2 8 CYS H 4.500 . 5.000 3.871 3.698 4.118 . 0 0 "[ . 1 ]" 3
442 2 5 CYS H 2 8 CYS HB3 4.300 . 4.800 3.733 3.470 3.991 . 0 0 "[ . 1 ]" 3
443 2 5 CYS H 2 8 CYS HB2 4.000 . 4.500 2.453 2.189 2.693 . 0 0 "[ . 1 ]" 3
444 2 5 CYS H 2 15 CYS HB3 4.500 . 5.000 3.795 3.389 4.245 . 0 0 "[ . 1 ]" 3
445 2 5 CYS H 2 15 CYS HB2 4.500 . 5.000 2.889 2.505 3.299 . 0 0 "[ . 1 ]" 3
446 2 5 CYS H 2 33 TYR QE 4.500 . 5.000 2.625 2.427 3.618 . 0 0 "[ . 1 ]" 3
447 2 5 CYS H 2 33 TYR QD 4.500 . 5.000 4.461 4.196 5.006 0.006 6 0 "[ . 1 ]" 3
448 2 5 CYS HA 2 5 CYS HB2 2.500 . 3.000 3.034 3.033 3.035 0.035 10 0 "[ . 1 ]" 3
449 2 5 CYS HA 2 5 CYS HB3 2.500 . 3.000 2.462 2.454 2.472 . 0 0 "[ . 1 ]" 3
450 2 5 CYS HA 2 6 LEU H 3.100 . 3.600 2.605 2.588 2.626 . 0 0 "[ . 1 ]" 3
451 2 5 CYS HA 2 33 TYR QE 4.500 . 5.000 2.526 2.382 3.083 . 0 0 "[ . 1 ]" 3
452 2 5 CYS HA 2 33 TYR QD 4.500 . 5.000 2.690 2.365 3.258 . 0 0 "[ . 1 ]" 3
453 2 5 CYS HB2 2 6 LEU H 2.800 . 3.300 3.323 3.289 3.339 0.039 10 0 "[ . 1 ]" 3
454 2 5 CYS HB2 2 7 SER H 4.000 . 4.500 3.151 2.905 3.328 . 0 0 "[ . 1 ]" 3
455 2 5 CYS HB2 2 8 CYS H 4.500 . 5.000 2.403 2.314 2.543 . 0 0 "[ . 1 ]" 3
456 2 5 CYS HB2 2 33 TYR QE 4.500 . 5.000 4.153 3.975 4.640 . 0 0 "[ . 1 ]" 3
457 2 5 CYS HB3 2 6 LEU H 3.500 . 4.000 2.294 2.256 2.324 . 0 0 "[ . 1 ]" 3
458 2 5 CYS HB3 2 33 TYR QE 4.500 . 5.000 4.122 4.001 4.235 . 0 0 "[ . 1 ]" 3
459 2 5 CYS HB3 2 33 TYR QD 4.500 . 5.000 4.860 4.508 5.011 0.011 10 0 "[ . 1 ]" 3
460 2 6 LEU H 2 6 LEU HA 2.800 . 3.300 2.890 2.862 2.917 . 0 0 "[ . 1 ]" 3
461 2 6 LEU H 2 6 LEU HB2 2.800 . 3.300 1.997 1.987 2.048 . 0 0 "[ . 1 ]" 3
462 2 6 LEU H 2 6 LEU HB3 2.800 . 3.300 3.363 3.345 3.419 0.119 11 0 "[ . 1 ]" 3
463 2 6 LEU H 2 6 LEU HG 3.400 . 3.900 3.447 2.798 3.900 . 0 0 "[ . 1 ]" 3
464 2 6 LEU H 2 6 LEU MD1 4.500 . 5.000 2.928 2.269 3.757 . 0 0 "[ . 1 ]" 3
465 2 6 LEU H 2 6 LEU MD2 4.500 . 5.000 4.133 3.915 4.324 . 0 0 "[ . 1 ]" 3
466 2 6 LEU H 2 7 SER H 2.800 . 3.300 2.543 2.417 2.667 . 0 0 "[ . 1 ]" 3
467 2 6 LEU H 2 8 CYS H 4.200 . 4.700 4.096 3.989 4.195 . 0 0 "[ . 1 ]" 3
468 2 6 LEU H 2 9 ARG H 4.500 . 5.000 4.628 4.528 4.754 . 0 0 "[ . 1 ]" 3
469 2 6 LEU H 2 31 CYS HA 4.500 . 5.000 4.100 3.683 4.622 . 0 0 "[ . 1 ]" 3
470 2 6 LEU H 2 32 GLU H 3.400 . 3.900 2.926 2.523 3.162 . 0 0 "[ . 1 ]" 3
471 2 6 LEU H 2 32 GLU HB3 4.500 . 5.000 4.943 4.718 5.014 0.014 1 0 "[ . 1 ]" 3
472 2 6 LEU H 2 32 GLU HB2 4.500 . 5.000 4.117 3.627 5.025 0.025 12 0 "[ . 1 ]" 3
473 2 6 LEU H 2 32 GLU QG 5.500 . 6.000 5.371 2.412 5.977 . 0 0 "[ . 1 ]" 3
474 2 6 LEU H 2 33 TYR HA 4.700 . 5.200 4.832 3.334 5.212 0.012 9 0 "[ . 1 ]" 3
475 2 6 LEU H 2 33 TYR QE 4.500 . 5.000 5.015 4.932 5.066 0.066 6 0 "[ . 1 ]" 3
476 2 6 LEU H 2 33 TYR QD 4.500 . 5.000 4.778 4.580 4.977 . 0 0 "[ . 1 ]" 3
477 2 6 LEU HA 2 6 LEU HB2 2.400 . 2.900 2.952 2.945 2.984 0.084 11 0 "[ . 1 ]" 3
478 2 6 LEU HA 2 6 LEU HB3 2.600 . 3.100 2.738 2.674 2.750 . 0 0 "[ . 1 ]" 3
479 2 6 LEU HA 2 6 LEU MD1 4.500 . 5.000 3.275 2.630 3.746 . 0 0 "[ . 1 ]" 3
480 2 6 LEU HA 2 6 LEU MD2 4.500 . 5.000 2.907 1.945 3.628 . 0 0 "[ . 1 ]" 3
481 2 6 LEU HA 2 7 SER H 2.800 . 3.300 3.521 3.480 3.545 0.245 8 0 "[ . 1 ]" 3
482 2 6 LEU HA 2 8 CYS H 4.500 . 5.000 4.550 4.215 4.662 . 0 0 "[ . 1 ]" 3
483 2 6 LEU HA 2 9 ARG H 2.900 . 3.400 3.437 3.326 3.498 0.098 1 0 "[ . 1 ]" 3
484 2 6 LEU HA 2 9 ARG QB 3.500 . 4.000 2.457 2.202 2.571 . 0 0 "[ . 1 ]" 3
485 2 6 LEU HA 2 9 ARG HG3 4.500 . 5.000 4.290 3.363 5.068 0.068 10 0 "[ . 1 ]" 3
486 2 6 LEU HA 2 9 ARG QD 4.500 . 5.000 5.002 4.846 5.077 0.077 9 0 "[ . 1 ]" 3
487 2 6 LEU HA 2 10 LYS H 4.500 . 5.000 4.207 3.947 4.393 . 0 0 "[ . 1 ]" 3
488 2 6 LEU HB2 2 7 SER H 2.800 . 3.300 2.881 2.728 3.090 . 0 0 "[ . 1 ]" 3
489 2 6 LEU HB3 2 7 SER H 3.300 . 3.800 3.205 2.999 3.443 . 0 0 "[ . 1 ]" 3
490 2 6 LEU HG 2 7 SER H 4.500 . 5.000 4.842 4.675 5.021 0.021 13 0 "[ . 1 ]" 3
491 2 6 LEU MD2 2 7 SER H 4.500 . 5.000 4.666 4.419 4.939 . 0 0 "[ . 1 ]" 3
492 2 6 LEU QD 2 9 ARG QB 4.500 . 5.000 3.754 3.108 4.188 . 0 0 "[ . 1 ]" 3
493 2 7 SER H 2 7 SER HA 2.500 . 3.000 2.896 2.875 2.916 . 0 0 "[ . 1 ]" 3
494 2 7 SER H 2 7 SER HB2 2.800 . 3.300 2.007 1.954 2.118 . 0 0 "[ . 1 ]" 3
495 2 7 SER H 2 7 SER HB3 2.800 . 3.300 3.113 2.864 3.306 0.006 7 0 "[ . 1 ]" 3
496 2 7 SER H 2 8 CYS H 2.600 . 3.100 2.583 2.453 2.667 . 0 0 "[ . 1 ]" 3
497 2 7 SER H 2 9 ARG H 4.000 . 4.500 3.782 3.707 3.870 . 0 0 "[ . 1 ]" 3
498 2 7 SER HA 2 8 CYS H 4.000 . 4.500 3.563 3.525 3.574 . 0 0 "[ . 1 ]" 3
499 2 7 SER HA 2 10 LYS H 4.500 . 5.000 3.470 3.336 3.696 . 0 0 "[ . 1 ]" 3
500 2 7 SER HB3 2 8 CYS H 2.900 . 3.400 2.756 2.485 3.164 . 0 0 "[ . 1 ]" 3
501 2 7 SER HB2 2 8 CYS H 2.900 . 3.400 3.119 2.802 3.405 0.005 8 0 "[ . 1 ]" 3
502 2 8 CYS H 2 8 CYS HA 2.600 . 3.100 2.883 2.856 2.928 . 0 0 "[ . 1 ]" 3
503 2 8 CYS H 2 8 CYS HB3 3.000 . 3.500 3.531 3.522 3.549 0.049 13 0 "[ . 1 ]" 3
504 2 8 CYS H 2 8 CYS HB2 3.000 . 3.500 2.445 2.411 2.484 . 0 0 "[ . 1 ]" 3
505 2 8 CYS H 2 9 ARG H 2.500 . 3.000 2.553 2.381 2.625 . 0 0 "[ . 1 ]" 3
506 2 8 CYS H 2 9 ARG QB 4.500 . 5.000 4.222 4.074 4.300 . 0 0 "[ . 1 ]" 3
507 2 8 CYS HA 2 9 ARG H 3.200 . 3.700 3.495 3.454 3.524 . 0 0 "[ . 1 ]" 3
508 2 8 CYS HA 2 10 LYS H 4.000 . 4.500 4.493 4.399 4.552 0.052 13 0 "[ . 1 ]" 3
509 2 8 CYS HA 2 11 ARG H 3.400 . 3.900 3.658 3.489 3.712 . 0 0 "[ . 1 ]" 3
510 2 8 CYS HA 2 11 ARG HB2 4.000 . 4.500 3.421 2.913 3.631 . 0 0 "[ . 1 ]" 3
511 2 8 CYS HA 2 11 ARG QD 4.500 . 5.000 4.616 4.269 4.894 . 0 0 "[ . 1 ]" 3
512 2 8 CYS HA 2 12 HIS H 4.000 . 4.500 4.374 4.173 4.501 0.001 7 0 "[ . 1 ]" 3
513 2 8 CYS HA 2 13 ILE H 3.500 . 4.000 2.934 2.550 3.256 . 0 0 "[ . 1 ]" 3
514 2 8 CYS HA 2 13 ILE HG13 4.500 . 5.000 2.624 2.270 3.241 . 0 0 "[ . 1 ]" 3
515 2 8 CYS HA 2 13 ILE HG12 4.500 . 5.000 3.593 2.709 3.982 . 0 0 "[ . 1 ]" 3
516 2 8 CYS HA 2 13 ILE MD 4.500 . 5.000 2.537 1.914 4.487 . 0 0 "[ . 1 ]" 3
517 2 8 CYS HB3 2 13 ILE HG13 4.500 . 5.000 4.122 3.887 4.681 . 0 0 "[ . 1 ]" 3
518 2 8 CYS HB3 2 13 ILE HG12 4.500 . 5.000 4.834 4.147 5.031 0.031 3 0 "[ . 1 ]" 3
519 2 8 CYS HB3 2 15 CYS H 4.500 . 5.000 3.494 3.107 3.778 . 0 0 "[ . 1 ]" 3
520 2 8 CYS HB2 2 9 ARG H 2.600 . 3.100 2.895 2.769 3.102 0.002 4 0 "[ . 1 ]" 3
521 2 9 ARG H 2 9 ARG HA 2.500 . 3.000 2.921 2.901 2.945 . 0 0 "[ . 1 ]" 3
522 2 9 ARG H 2 9 ARG QB 2.100 . 2.600 2.115 1.984 2.183 . 0 0 "[ . 1 ]" 3
523 2 9 ARG H 2 9 ARG HG3 4.500 . 5.000 4.188 3.716 4.503 . 0 0 "[ . 1 ]" 3
524 2 9 ARG H 2 9 ARG HG2 4.500 . 5.000 3.783 2.634 4.573 . 0 0 "[ . 1 ]" 3
525 2 9 ARG H 2 9 ARG QD 4.500 . 5.000 3.966 3.787 4.143 . 0 0 "[ . 1 ]" 3
526 2 9 ARG H 2 10 LYS H 3.500 . 4.000 2.487 2.391 2.578 . 0 0 "[ . 1 ]" 3
527 2 9 ARG H 2 11 ARG H 4.400 . 4.900 3.998 3.731 4.159 . 0 0 "[ . 1 ]" 3
528 2 9 ARG H 2 12 HIS H 4.500 . 5.000 4.525 4.397 4.599 . 0 0 "[ . 1 ]" 3
529 2 9 ARG HA 2 9 ARG QD 4.500 . 5.000 1.990 1.919 2.061 . 0 0 "[ . 1 ]" 3
530 2 9 ARG HA 2 10 LYS H 3.100 . 3.600 3.561 3.545 3.571 . 0 0 "[ . 1 ]" 3
531 2 9 ARG HA 2 11 ARG H 4.200 . 4.700 4.286 4.102 4.461 . 0 0 "[ . 1 ]" 3
532 2 9 ARG HA 2 12 HIS H 3.100 . 3.600 3.232 3.085 3.382 . 0 0 "[ . 1 ]" 3
533 2 9 ARG HA 2 12 HIS HD1 4.500 . 5.000 3.943 3.077 4.830 . 0 0 "[ . 1 ]" 3
534 2 9 ARG HA 2 13 ILE H 4.100 . 4.600 3.863 3.686 4.064 . 0 0 "[ . 1 ]" 3
535 2 9 ARG HG2 2 10 LYS H 4.500 . 5.000 4.762 4.545 4.963 . 0 0 "[ . 1 ]" 3
536 2 9 ARG QD 2 10 LYS H 4.500 . 5.000 4.730 4.635 4.869 . 0 0 "[ . 1 ]" 3
537 2 9 ARG QD 2 13 ILE H 4.500 . 5.000 5.007 4.962 5.036 0.036 10 0 "[ . 1 ]" 3
538 2 10 LYS H 2 10 LYS HA 2.500 . 3.000 2.867 2.833 2.914 . 0 0 "[ . 1 ]" 3
539 2 10 LYS H 2 10 LYS QB 2.100 . 2.600 2.277 2.151 2.566 . 0 0 "[ . 1 ]" 3
540 2 10 LYS H 2 10 LYS QG 4.500 . 5.000 3.351 1.910 3.974 . 0 0 "[ . 1 ]" 3
541 2 10 LYS H 2 10 LYS QD 4.500 . 5.000 4.021 3.807 4.141 . 0 0 "[ . 1 ]" 3
542 2 10 LYS H 2 11 ARG H 2.600 . 3.100 2.658 2.476 2.775 . 0 0 "[ . 1 ]" 3
543 2 10 LYS H 2 12 HIS H 3.400 . 3.900 3.794 3.728 3.886 . 0 0 "[ . 1 ]" 3
544 2 10 LYS HA 2 10 LYS QG 3.500 . 4.000 2.660 2.337 3.318 . 0 0 "[ . 1 ]" 3
545 2 10 LYS HA 2 11 ARG H 3.300 . 3.800 3.542 3.493 3.567 . 0 0 "[ . 1 ]" 3
546 2 10 LYS HA 2 12 HIS H 4.000 . 4.500 4.085 4.000 4.165 . 0 0 "[ . 1 ]" 3
547 2 10 LYS HA 2 12 HIS HD1 4.500 . 5.000 4.584 3.871 4.977 . 0 0 "[ . 1 ]" 3
548 2 10 LYS QB 2 11 ARG H 3.000 . 3.500 2.841 2.459 3.569 0.069 4 0 "[ . 1 ]" 3
549 2 10 LYS QG 2 11 ARG H 4.500 . 5.000 3.344 1.915 4.042 . 0 0 "[ . 1 ]" 3
550 2 10 LYS QD 2 11 ARG H 4.500 . 5.000 3.125 2.918 3.611 . 0 0 "[ . 1 ]" 3
551 2 10 LYS QD 2 11 ARG HB2 3.100 . 3.600 3.740 3.693 3.806 0.206 2 0 "[ . 1 ]" 3
552 2 10 LYS QD 2 11 ARG HD3 4.500 . 5.000 3.651 2.558 4.064 . 0 0 "[ . 1 ]" 3
553 2 10 LYS QD 2 11 ARG HD2 4.500 . 5.000 2.982 1.946 3.817 . 0 0 "[ . 1 ]" 3
554 2 11 ARG H 2 11 ARG HA 2.500 . 3.000 2.991 2.982 3.001 0.001 4 0 "[ . 1 ]" 3
555 2 11 ARG H 2 11 ARG HB2 3.400 . 3.900 2.441 2.360 2.488 . 0 0 "[ . 1 ]" 3
556 2 11 ARG H 2 11 ARG QG 2.500 . 3.000 2.406 2.266 2.632 . 0 0 "[ . 1 ]" 3
557 2 11 ARG H 2 11 ARG HD3 4.500 . 5.000 4.472 3.963 5.009 0.009 9 0 "[ . 1 ]" 3
558 2 11 ARG H 2 11 ARG HD2 4.500 . 5.000 4.545 4.050 5.008 0.008 13 0 "[ . 1 ]" 3
559 2 11 ARG H 2 12 HIS H 2.500 . 3.000 2.309 2.187 2.393 . 0 0 "[ . 1 ]" 3
560 2 11 ARG H 2 12 HIS HA 4.000 . 4.500 4.527 4.387 4.602 0.102 12 0 "[ . 1 ]" 3
561 2 11 ARG H 2 13 ILE H 3.600 . 4.100 4.046 3.921 4.108 0.008 9 0 "[ . 1 ]" 3
562 2 11 ARG H 2 13 ILE HG12 4.500 . 5.000 4.697 3.461 5.062 0.062 13 0 "[ . 1 ]" 3
563 2 11 ARG HA 2 11 ARG QD 4.500 . 5.000 4.051 3.496 4.210 . 0 0 "[ . 1 ]" 3
564 2 11 ARG HA 2 12 HIS H 4.500 . 5.000 3.272 3.227 3.337 . 0 0 "[ . 1 ]" 3
565 2 11 ARG HA 2 12 HIS HD1 4.500 . 5.000 3.991 2.676 4.973 . 0 0 "[ . 1 ]" 3
566 2 11 ARG HB2 2 12 HIS H 4.500 . 5.000 3.571 3.425 3.657 . 0 0 "[ . 1 ]" 3
567 2 11 ARG HB2 2 13 ILE HG12 4.500 . 5.000 2.801 1.968 3.174 . 0 0 "[ . 1 ]" 3
568 2 11 ARG HB2 2 13 ILE MD 3.500 . 4.000 2.369 1.992 3.212 . 0 0 "[ . 1 ]" 3
569 2 11 ARG QG 2 12 HIS H 3.500 . 4.000 4.202 4.164 4.273 0.273 4 0 "[ . 1 ]" 3
570 2 11 ARG HB3 2 13 ILE HG12 4.500 . 5.000 3.347 2.685 3.717 . 0 0 "[ . 1 ]" 3
571 2 11 ARG HB3 2 13 ILE MD 3.500 . 4.000 3.139 2.424 3.650 . 0 0 "[ . 1 ]" 3
572 2 11 ARG HD3 2 13 ILE MD 3.500 . 4.000 2.915 2.273 4.009 0.009 8 0 "[ . 1 ]" 3
573 2 11 ARG HD2 2 13 ILE MD 3.500 . 4.000 3.714 2.858 4.015 0.015 9 0 "[ . 1 ]" 3
574 2 12 HIS H 2 12 HIS HA 2.100 . 2.600 2.353 2.346 2.361 . 0 0 "[ . 1 ]" 3
575 2 12 HIS H 2 12 HIS HB2 3.400 . 3.900 3.299 3.086 3.519 . 0 0 "[ . 1 ]" 3
576 2 12 HIS H 2 12 HIS HB3 3.400 . 3.900 4.024 3.999 4.047 0.147 12 0 "[ . 1 ]" 3
577 2 12 HIS H 2 12 HIS HD1 4.500 . 5.000 2.829 2.331 3.427 . 0 0 "[ . 1 ]" 3
578 2 12 HIS H 2 13 ILE H 2.500 . 3.000 3.039 3.001 3.063 0.063 10 0 "[ . 1 ]" 3
579 2 12 HIS HA 2 13 ILE H 2.500 . 3.000 2.613 2.567 2.643 . 0 0 "[ . 1 ]" 3
580 2 12 HIS HB2 2 13 ILE H 4.400 . 4.900 4.442 4.366 4.539 . 0 0 "[ . 1 ]" 3
581 2 12 HIS HB3 2 13 ILE H 4.400 . 4.900 4.380 4.316 4.447 . 0 0 "[ . 1 ]" 3
582 2 13 ILE H 2 13 ILE HA 2.800 . 3.300 2.982 2.966 2.992 . 0 0 "[ . 1 ]" 3
583 2 13 ILE H 2 13 ILE HB 3.500 . 4.000 2.466 2.411 2.557 . 0 0 "[ . 1 ]" 3
584 2 13 ILE H 2 13 ILE MG 4.500 . 5.000 3.772 3.747 3.806 . 0 0 "[ . 1 ]" 3
585 2 13 ILE H 2 13 ILE HG13 4.400 . 4.900 2.603 2.187 3.766 . 0 0 "[ . 1 ]" 3
586 2 13 ILE H 2 13 ILE HG12 4.400 . 4.900 3.271 2.250 3.614 . 0 0 "[ . 1 ]" 3
587 2 13 ILE H 2 13 ILE MD 4.500 . 5.000 3.538 3.303 3.712 . 0 0 "[ . 1 ]" 3
588 2 13 ILE H 2 14 LYS H 4.000 . 4.500 4.574 4.561 4.600 0.100 6 0 "[ . 1 ]" 3
589 2 13 ILE HA 2 13 ILE MD 4.500 . 5.000 3.427 2.003 3.870 . 0 0 "[ . 1 ]" 3
590 2 13 ILE HA 2 14 LYS H 3.000 . 3.500 2.329 2.251 2.486 . 0 0 "[ . 1 ]" 3
591 2 13 ILE HB 2 15 CYS H 4.500 . 5.000 4.230 3.892 4.520 . 0 0 "[ . 1 ]" 3
592 2 13 ILE MG 2 14 LYS H 4.500 . 5.000 2.112 1.844 2.378 . 0 0 "[ . 1 ]" 3
593 2 13 ILE MG 2 14 LYS HA 4.500 . 5.000 4.121 4.044 4.320 . 0 0 "[ . 1 ]" 3
594 2 13 ILE HG13 2 14 LYS H 4.500 . 5.000 5.029 4.914 5.072 0.072 3 0 "[ . 1 ]" 3
595 2 13 ILE HG12 2 14 LYS H 4.500 . 5.000 4.561 4.351 5.000 0.000 9 0 "[ . 1 ]" 3
596 2 13 ILE MD 2 14 LYS H 4.500 . 5.000 4.585 3.525 5.020 0.020 11 0 "[ . 1 ]" 3
597 2 14 LYS H 2 14 LYS HA 2.400 . 2.900 2.919 2.880 2.965 0.065 8 0 "[ . 1 ]" 3
598 2 14 LYS H 2 14 LYS QB 2.100 . 2.600 2.062 1.930 2.325 . 0 0 "[ . 1 ]" 3
599 2 14 LYS H 2 14 LYS HG3 4.500 . 5.000 3.485 2.257 4.429 . 0 0 "[ . 1 ]" 3
600 2 14 LYS H 2 14 LYS HG2 4.500 . 5.000 3.967 3.052 4.617 . 0 0 "[ . 1 ]" 3
601 2 14 LYS H 2 14 LYS QE 4.500 . 5.000 4.546 4.041 4.922 . 0 0 "[ . 1 ]" 3
602 2 14 LYS H 2 15 CYS H 4.000 . 4.500 4.030 3.869 4.152 . 0 0 "[ . 1 ]" 3
603 2 14 LYS HA 2 14 LYS QB 2.500 . 3.000 2.499 2.381 2.551 . 0 0 "[ . 1 ]" 3
604 2 14 LYS HA 2 15 CYS H 2.100 . 2.600 2.407 2.345 2.526 . 0 0 "[ . 1 ]" 3
605 2 14 LYS QB 2 15 CYS H 4.000 . 4.500 3.925 3.835 4.040 . 0 0 "[ . 1 ]" 3
606 2 14 LYS QG 2 15 CYS H 4.500 . 5.000 4.209 3.719 4.550 . 0 0 "[ . 1 ]" 3
607 2 15 CYS H 2 15 CYS HB3 2.500 . 3.000 2.549 2.370 2.700 . 0 0 "[ . 1 ]" 3
608 2 15 CYS H 2 15 CYS HB2 2.500 . 3.000 2.321 2.180 2.500 . 0 0 "[ . 1 ]" 3
609 2 15 CYS HA 2 16 PRO QG 4.000 . 4.500 3.866 3.857 3.878 . 0 0 "[ . 1 ]" 3
610 2 15 CYS HA 2 16 PRO HD3 3.800 . 4.300 2.071 2.034 2.160 . 0 0 "[ . 1 ]" 3
611 2 15 CYS HA 2 16 PRO HD2 3.800 . 4.300 2.306 2.181 2.370 . 0 0 "[ . 1 ]" 3
612 2 15 CYS HA 2 23 LYS HG3 4.500 . 5.000 3.033 2.480 4.803 . 0 0 "[ . 1 ]" 3
613 2 15 CYS HA 2 23 LYS HG2 4.500 . 5.000 3.956 3.270 4.711 . 0 0 "[ . 1 ]" 3
614 2 16 PRO HA 2 17 GLY H 3.200 . 3.700 3.574 3.485 3.591 . 0 0 "[ . 1 ]" 3
615 2 16 PRO QB 2 17 GLY H 3.900 . 4.400 2.428 2.005 3.204 . 0 0 "[ . 1 ]" 3
616 2 16 PRO QB 2 21 CYS QB 4.500 . 5.000 3.980 3.787 4.175 . 0 0 "[ . 1 ]" 3
617 2 16 PRO QB 2 22 GLN H 4.500 . 5.000 4.075 3.914 4.240 . 0 0 "[ . 1 ]" 3
618 2 16 PRO QB 2 23 LYS H 4.500 . 5.000 4.458 4.326 4.542 . 0 0 "[ . 1 ]" 3
619 2 16 PRO HG3 2 17 GLY H 4.500 . 5.000 4.171 4.028 4.572 . 0 0 "[ . 1 ]" 3
620 2 16 PRO HG3 2 22 GLN H 4.500 . 5.000 3.408 3.155 3.537 . 0 0 "[ . 1 ]" 3
621 2 16 PRO HG3 2 23 LYS H 4.500 . 5.000 2.880 2.656 3.002 . 0 0 "[ . 1 ]" 3
622 2 16 PRO HG2 2 17 GLY H 4.500 . 5.000 2.996 2.781 3.643 . 0 0 "[ . 1 ]" 3
623 2 16 PRO QG 2 21 CYS HB2 4.000 . 4.500 2.807 2.560 2.925 . 0 0 "[ . 1 ]" 3
624 2 16 PRO QG 2 21 CYS HB3 4.000 . 4.500 4.423 4.185 4.516 0.016 13 0 "[ . 1 ]" 3
625 2 16 PRO HG2 2 22 GLN H 4.500 . 5.000 2.187 1.979 2.351 . 0 0 "[ . 1 ]" 3
626 2 16 PRO HG2 2 23 LYS H 4.500 . 5.000 2.770 2.696 2.856 . 0 0 "[ . 1 ]" 3
627 2 16 PRO QG 2 23 LYS QG 4.500 . 5.000 2.923 2.186 4.035 . 0 0 "[ . 1 ]" 3
628 2 16 PRO QG 2 23 LYS HB3 4.500 . 5.000 4.987 4.907 5.024 0.024 4 0 "[ . 1 ]" 3
629 2 16 PRO HD3 2 17 GLY H 4.500 . 5.000 4.123 3.933 4.306 . 0 0 "[ . 1 ]" 3
630 2 16 PRO QD 2 21 CYS HB3 4.500 . 5.000 3.789 3.530 4.005 . 0 0 "[ . 1 ]" 3
631 2 16 PRO QD 2 21 CYS HB2 4.500 . 5.000 2.286 2.047 2.508 . 0 0 "[ . 1 ]" 3
632 2 16 PRO QD 2 22 GLN H 4.500 . 5.000 2.598 2.435 2.774 . 0 0 "[ . 1 ]" 3
633 2 16 PRO QD 2 23 LYS H 4.500 . 5.000 2.448 2.289 2.675 . 0 0 "[ . 1 ]" 3
634 2 16 PRO HD3 2 23 LYS HB3 4.500 . 5.000 4.017 3.895 4.115 . 0 0 "[ . 1 ]" 3
635 2 16 PRO HD3 2 23 LYS QG 4.500 . 5.000 2.128 1.841 2.871 . 0 0 "[ . 1 ]" 3
636 2 16 PRO HD2 2 17 GLY H 4.500 . 5.000 2.891 2.673 3.147 . 0 0 "[ . 1 ]" 3
637 2 16 PRO HD2 2 23 LYS HB3 4.500 . 5.000 4.679 4.472 4.961 . 0 0 "[ . 1 ]" 3
638 2 16 PRO HD2 2 23 LYS QG 4.500 . 5.000 3.443 2.992 4.226 . 0 0 "[ . 1 ]" 3
639 2 17 GLY H 2 17 GLY HA3 2.500 . 3.000 2.979 2.956 2.993 . 0 0 "[ . 1 ]" 3
640 2 17 GLY H 2 17 GLY HA2 2.500 . 3.000 2.566 2.399 2.679 . 0 0 "[ . 1 ]" 3
641 2 17 GLY H 2 18 GLY H 3.400 . 3.900 2.794 2.465 3.147 . 0 0 "[ . 1 ]" 3
642 2 17 GLY H 2 21 CYS HB2 4.200 . 4.700 2.969 2.627 3.374 . 0 0 "[ . 1 ]" 3
643 2 17 GLY H 2 21 CYS HB3 4.200 . 4.700 3.911 3.550 4.341 . 0 0 "[ . 1 ]" 3
644 2 17 GLY HA3 2 18 GLY H 3.000 . 3.500 3.543 3.486 3.576 0.076 8 0 "[ . 1 ]" 3
645 2 17 GLY QA 2 33 TYR QE 4.500 . 5.000 4.208 3.976 4.494 . 0 0 "[ . 1 ]" 3
646 2 17 GLY QA 2 21 CYS HB2 4.400 . 5.900 4.401 4.178 4.665 . 0 0 "[ . 1 ]" 3
647 2 17 GLY QA 2 21 CYS HB3 4.400 . 5.900 4.447 4.139 4.781 . 0 0 "[ . 1 ]" 3
648 2 17 GLY HA2 2 18 GLY H 3.000 . 3.500 2.400 2.279 2.556 . 0 0 "[ . 1 ]" 3
649 2 18 GLY H 2 21 CYS H 4.500 . 5.000 4.670 4.306 4.990 . 0 0 "[ . 1 ]" 3
650 2 18 GLY H 2 21 CYS HA 3.800 . 4.300 2.833 2.542 3.106 . 0 0 "[ . 1 ]" 3
651 2 18 GLY H 2 21 CYS QB 4.000 . 4.500 2.746 2.447 3.175 . 0 0 "[ . 1 ]" 3
652 2 18 GLY H 2 33 TYR QE 4.500 . 5.000 3.380 3.042 3.997 . 0 0 "[ . 1 ]" 3
653 2 18 GLY HA3 2 19 ASN H 3.400 . 3.900 2.687 2.600 2.863 . 0 0 "[ . 1 ]" 3
654 2 18 GLY HA2 2 19 ASN H 3.400 . 3.900 2.540 2.390 2.619 . 0 0 "[ . 1 ]" 3
655 2 18 GLY QA 2 21 CYS HA 4.500 . 5.000 2.493 2.285 2.809 . 0 0 "[ . 1 ]" 3
656 2 19 ASN H 2 19 ASN HB2 3.100 . 3.600 2.547 2.382 2.622 . 0 0 "[ . 1 ]" 3
657 2 19 ASN H 2 19 ASN HB3 3.200 . 3.700 3.556 3.471 3.596 . 0 0 "[ . 1 ]" 3
658 2 19 ASN HA 2 19 ASN HB3 2.900 . 3.400 2.753 2.751 2.754 . 0 0 "[ . 1 ]" 3
659 2 19 ASN HA 2 19 ASN HD21 4.500 . 5.000 2.115 1.942 2.426 . 0 0 "[ . 1 ]" 3
660 2 19 ASN HA 2 19 ASN HD22 4.500 . 5.000 3.249 3.186 3.360 . 0 0 "[ . 1 ]" 3
661 2 19 ASN HA 2 20 PRO HA 2.300 . 2.800 1.978 1.950 2.010 . 0 0 "[ . 1 ]" 3
662 2 19 ASN HA 2 20 PRO HB3 4.300 . 4.800 4.216 4.191 4.241 . 0 0 "[ . 1 ]" 3
663 2 19 ASN HA 2 20 PRO HB2 4.300 . 4.800 4.464 4.413 4.493 . 0 0 "[ . 1 ]" 3
664 2 19 ASN HA 2 21 CYS H 3.800 . 4.300 3.250 2.567 3.606 . 0 0 "[ . 1 ]" 3
665 2 19 ASN HA 2 31 CYS HB2 4.500 . 5.000 3.785 3.323 4.077 . 0 0 "[ . 1 ]" 3
666 2 19 ASN HA 2 33 TYR QE 4.500 . 5.000 3.561 3.446 3.818 . 0 0 "[ . 1 ]" 3
667 2 19 ASN HA 2 33 TYR QD 4.500 . 5.000 4.883 4.668 5.019 0.019 4 0 "[ . 1 ]" 3
668 2 19 ASN HB2 2 20 PRO HA 4.500 . 5.000 4.785 4.739 4.805 . 0 0 "[ . 1 ]" 3
669 2 19 ASN HB2 2 33 TYR QE 4.500 . 5.000 3.955 3.602 4.657 . 0 0 "[ . 1 ]" 3
670 2 19 ASN HB3 2 33 TYR QE 4.500 . 5.000 4.724 4.531 5.064 0.064 6 0 "[ . 1 ]" 3
671 2 19 ASN HB3 2 33 TYR QD 4.500 . 5.000 5.021 4.875 5.073 0.073 12 0 "[ . 1 ]" 3
672 2 19 ASN QD 2 20 PRO HA 4.500 . 5.000 2.712 2.573 2.833 . 0 0 "[ . 1 ]" 3
673 2 19 ASN QD 2 20 PRO HB3 4.500 . 5.000 4.533 4.474 4.582 . 0 0 "[ . 1 ]" 3
674 2 19 ASN QD 2 20 PRO QG 4.500 . 5.000 5.100 5.085 5.119 0.119 2 0 "[ . 1 ]" 3
675 2 19 ASN HD21 2 33 TYR QE 4.500 3.800 5.000 3.771 3.752 3.787 0.048 6 0 "[ . 1 ]" 3
676 2 19 ASN HD21 2 33 TYR QD 4.500 . 5.000 3.997 3.601 4.228 . 0 0 "[ . 1 ]" 3
677 2 19 ASN HD22 2 33 TYR QE 4.500 . 5.000 2.967 2.572 3.180 . 0 0 "[ . 1 ]" 3
678 2 19 ASN HD22 2 33 TYR QD 4.500 . 5.000 2.493 1.938 2.801 . 0 0 "[ . 1 ]" 3
679 2 20 PRO HA 2 20 PRO HB3 3.000 . 3.500 2.271 2.268 2.274 . 0 0 "[ . 1 ]" 3
680 2 20 PRO HA 2 20 PRO HD3 4.500 . 5.000 3.774 3.747 3.801 . 0 0 "[ . 1 ]" 3
681 2 20 PRO HA 2 20 PRO HD2 4.500 . 5.000 4.081 4.075 4.086 . 0 0 "[ . 1 ]" 3
682 2 20 PRO HA 2 21 CYS H 3.200 . 3.700 2.427 2.266 2.543 . 0 0 "[ . 1 ]" 3
683 2 20 PRO HA 2 31 CYS H 4.400 . 4.900 4.645 4.230 4.853 . 0 0 "[ . 1 ]" 3
684 2 20 PRO HA 2 31 CYS HB2 4.500 . 5.000 2.150 1.912 2.318 . 0 0 "[ . 1 ]" 3
685 2 20 PRO HA 2 31 CYS HB3 4.500 . 5.000 3.053 2.817 3.352 . 0 0 "[ . 1 ]" 3
686 2 20 PRO HA 2 33 TYR QE 4.500 . 5.000 4.957 4.851 5.033 0.033 5 0 "[ . 1 ]" 3
687 2 20 PRO HB3 2 21 CYS H 4.500 . 5.000 3.331 3.123 3.704 . 0 0 "[ . 1 ]" 3
688 2 20 PRO HB3 2 25 VAL MG1 3.500 . 4.000 4.064 3.752 4.122 0.122 1 0 "[ . 1 ]" 3
689 2 20 PRO HB3 2 31 CYS H 4.500 . 5.000 3.578 3.390 3.695 . 0 0 "[ . 1 ]" 3
690 2 20 PRO HB2 2 21 CYS H 4.500 . 5.000 3.036 2.718 3.561 . 0 0 "[ . 1 ]" 3
691 2 20 PRO HB2 2 25 VAL MG1 3.500 . 4.000 3.067 2.815 3.213 . 0 0 "[ . 1 ]" 3
692 2 20 PRO HB2 2 31 CYS H 4.500 . 5.000 4.943 4.524 5.052 0.052 7 0 "[ . 1 ]" 3
693 2 20 PRO HG3 2 25 VAL MG1 3.500 . 4.000 4.108 4.078 4.221 0.221 6 0 "[ . 1 ]" 3
694 2 20 PRO HG2 2 25 VAL MG1 3.500 . 4.000 3.013 2.829 3.359 . 0 0 "[ . 1 ]" 3
695 2 20 PRO QG 2 31 CYS H 4.500 . 5.000 4.972 4.864 5.059 0.059 6 0 "[ . 1 ]" 3
696 2 21 CYS H 2 21 CYS HB3 3.900 . 4.400 2.514 2.396 2.640 . 0 0 "[ . 1 ]" 3
697 2 21 CYS H 2 22 GLN H 4.300 . 4.800 4.149 4.040 4.234 . 0 0 "[ . 1 ]" 3
698 2 21 CYS H 2 31 CYS HB3 4.500 . 5.000 1.927 1.896 2.054 . 0 0 "[ . 1 ]" 3
699 2 21 CYS H 2 31 CYS HB2 4.500 . 5.000 2.545 2.389 2.745 . 0 0 "[ . 1 ]" 3
700 2 21 CYS HA 2 21 CYS HB2 2.900 . 3.400 2.463 2.435 2.475 . 0 0 "[ . 1 ]" 3
701 2 21 CYS HA 2 21 CYS HB3 2.700 . 3.200 2.491 2.479 2.519 . 0 0 "[ . 1 ]" 3
702 2 21 CYS HA 2 22 GLN H 3.000 . 3.500 3.146 3.114 3.180 . 0 0 "[ . 1 ]" 3
703 2 21 CYS HA 2 23 LYS H 4.500 . 5.000 5.072 5.044 5.095 0.095 5 0 "[ . 1 ]" 3
704 2 21 CYS HB2 2 22 GLN H 3.000 . 3.500 1.980 1.943 2.056 . 0 0 "[ . 1 ]" 3
705 2 21 CYS HB3 2 22 GLN H 3.300 . 3.800 3.437 3.429 3.460 . 0 0 "[ . 1 ]" 3
706 2 22 GLN H 2 22 GLN HA 2.700 . 3.200 2.991 2.985 2.995 . 0 0 "[ . 1 ]" 3
707 2 22 GLN H 2 22 GLN HB2 2.800 . 3.300 2.998 2.842 3.143 . 0 0 "[ . 1 ]" 3
708 2 22 GLN H 2 22 GLN HB3 2.600 . 3.100 2.779 2.661 2.950 . 0 0 "[ . 1 ]" 3
709 2 22 GLN H 2 22 GLN QG 4.500 . 5.000 4.131 4.052 4.182 . 0 0 "[ . 1 ]" 3
710 2 22 GLN H 2 23 LYS H 3.300 . 3.800 1.940 1.920 1.972 . 0 0 "[ . 1 ]" 3
711 2 22 GLN H 2 24 CYS H 4.200 . 4.700 3.255 3.200 3.325 . 0 0 "[ . 1 ]" 3
712 2 22 GLN HA 2 22 GLN HB3 2.900 . 3.400 3.025 3.000 3.035 . 0 0 "[ . 1 ]" 3
713 2 22 GLN HA 2 23 LYS H 3.400 . 3.900 3.566 3.561 3.570 . 0 0 "[ . 1 ]" 3
714 2 22 GLN HA 2 24 CYS H 3.600 . 4.100 3.962 3.854 4.020 . 0 0 "[ . 1 ]" 3
715 2 22 GLN HA 2 25 VAL H 2.800 . 3.300 3.268 3.198 3.339 0.039 2 0 "[ . 1 ]" 3
716 2 22 GLN HA 2 25 VAL HB 2.400 . 2.900 2.451 2.309 2.547 . 0 0 "[ . 1 ]" 3
717 2 22 GLN HA 2 25 VAL MG2 4.500 . 5.000 2.477 2.285 2.665 . 0 0 "[ . 1 ]" 3
718 2 22 GLN HA 2 26 THR H 3.100 . 3.600 3.576 3.504 3.683 0.083 13 0 "[ . 1 ]" 3
719 2 22 GLN HB2 2 23 LYS H 3.300 . 3.800 3.751 3.618 3.835 0.035 10 0 "[ . 1 ]" 3
720 2 22 GLN HB3 2 23 LYS H 3.100 . 3.600 2.558 2.505 2.646 . 0 0 "[ . 1 ]" 3
721 2 22 GLN QG 2 23 LYS H 4.500 . 5.000 3.814 3.568 4.077 . 0 0 "[ . 1 ]" 3
722 2 22 GLN QG 2 24 CYS H 4.500 . 5.000 4.993 4.804 5.069 0.069 6 0 "[ . 1 ]" 3
723 2 22 GLN QG 2 25 VAL H 4.500 . 5.000 4.783 4.645 4.937 . 0 0 "[ . 1 ]" 3
724 2 22 GLN QG 2 25 VAL MG2 4.500 . 5.000 4.296 3.922 4.505 . 0 0 "[ . 1 ]" 3
725 2 22 GLN QG 2 26 THR H 4.500 . 5.000 3.829 3.591 4.033 . 0 0 "[ . 1 ]" 3
726 2 22 GLN HE21 2 25 VAL MG2 4.500 . 5.000 3.650 3.293 4.216 . 0 0 "[ . 1 ]" 3
727 2 22 GLN HE21 2 25 VAL MG1 4.500 . 5.000 3.735 3.173 4.347 . 0 0 "[ . 1 ]" 3
728 2 22 GLN HE22 2 25 VAL MG2 4.500 . 5.000 4.665 4.012 5.003 0.003 12 0 "[ . 1 ]" 3
729 2 22 GLN HE22 2 25 VAL MG1 4.500 . 5.000 4.403 3.299 4.832 . 0 0 "[ . 1 ]" 3
730 2 23 LYS H 2 23 LYS HA 2.700 . 3.200 2.839 2.825 2.852 . 0 0 "[ . 1 ]" 3
731 2 23 LYS H 2 23 LYS HB2 2.600 . 3.100 2.096 2.005 2.327 . 0 0 "[ . 1 ]" 3
732 2 23 LYS H 2 23 LYS QG 4.500 . 5.000 2.721 2.080 3.555 . 0 0 "[ . 1 ]" 3
733 2 23 LYS H 2 24 CYS H 2.600 . 3.100 2.727 2.690 2.770 . 0 0 "[ . 1 ]" 3
734 2 23 LYS H 2 25 VAL H 3.700 . 4.200 4.208 4.139 4.288 0.088 13 0 "[ . 1 ]" 3
735 2 23 LYS H 2 26 THR H 4.400 . 4.900 4.747 4.696 4.828 . 0 0 "[ . 1 ]" 3
736 2 23 LYS HA 2 23 LYS QD 4.500 . 5.000 2.441 1.999 3.415 . 0 0 "[ . 1 ]" 3
737 2 23 LYS HA 2 24 CYS H 2.900 . 3.400 3.502 3.494 3.512 0.112 12 0 "[ . 1 ]" 3
738 2 23 LYS HA 2 24 CYS HA 4.500 . 5.000 4.670 4.650 4.682 . 0 0 "[ . 1 ]" 3
739 2 23 LYS HA 2 26 THR H 3.500 . 4.000 4.022 3.991 4.097 0.097 13 0 "[ . 1 ]" 3
740 2 23 LYS HB2 2 24 CYS H 2.800 . 3.300 3.030 2.876 3.109 . 0 0 "[ . 1 ]" 3
741 2 23 LYS QG 2 24 CYS H 4.500 . 5.000 4.433 4.174 4.654 . 0 0 "[ . 1 ]" 3
742 2 23 LYS HB3 2 23 LYS QE 4.500 . 5.000 3.702 3.069 3.992 . 0 0 "[ . 1 ]" 3
743 2 23 LYS HB3 2 24 CYS H 4.500 . 5.000 3.547 3.402 3.809 . 0 0 "[ . 1 ]" 3
744 2 24 CYS H 2 24 CYS HA 2.800 . 3.300 2.976 2.969 2.982 . 0 0 "[ . 1 ]" 3
745 2 24 CYS H 2 24 CYS HB2 2.700 . 3.200 2.099 2.036 2.330 . 0 0 "[ . 1 ]" 3
746 2 24 CYS H 2 24 CYS HB3 3.500 . 4.000 3.450 3.394 3.566 . 0 0 "[ . 1 ]" 3
747 2 24 CYS H 2 25 VAL H 3.200 . 3.700 2.207 2.175 2.232 . 0 0 "[ . 1 ]" 3
748 2 24 CYS H 2 25 VAL HA 4.200 . 4.700 4.933 4.907 4.954 0.254 10 0 "[ . 1 ]" 3
749 2 24 CYS H 2 25 VAL MG2 4.000 . 4.500 3.258 3.214 3.297 . 0 0 "[ . 1 ]" 3
750 2 24 CYS H 2 26 THR H 3.100 . 3.600 3.545 3.462 3.606 0.006 9 0 "[ . 1 ]" 3
751 2 24 CYS H 2 31 CYS HB3 4.500 . 5.000 5.137 5.099 5.213 0.213 13 0 "[ . 1 ]" 3
752 2 24 CYS HA 2 24 CYS HB2 2.600 . 3.100 2.982 2.967 3.012 . 0 0 "[ . 1 ]" 3
753 2 24 CYS HA 2 24 CYS HB3 2.900 . 3.400 2.623 2.471 2.672 . 0 0 "[ . 1 ]" 3
754 2 24 CYS HA 2 25 VAL H 3.700 . 4.200 3.554 3.544 3.560 . 0 0 "[ . 1 ]" 3
755 2 24 CYS HA 2 26 THR MG 3.000 . 3.500 3.457 3.364 3.514 0.014 10 0 "[ . 1 ]" 3
756 2 24 CYS HA 2 27 SER H 3.300 . 3.800 3.062 2.846 3.207 . 0 0 "[ . 1 ]" 3
757 2 24 CYS HB2 2 25 VAL H 3.100 . 3.600 2.572 2.297 2.652 . 0 0 "[ . 1 ]" 3
758 2 24 CYS HB2 2 26 THR MG 4.100 . 4.600 4.831 4.813 4.868 0.268 13 0 "[ . 1 ]" 3
759 2 24 CYS HB2 2 29 ALA H 4.500 . 5.000 4.681 4.503 5.180 0.180 13 0 "[ . 1 ]" 3
760 2 24 CYS HB2 2 31 CYS H 4.500 . 5.000 4.902 4.022 5.035 0.035 9 0 "[ . 1 ]" 3
761 2 24 CYS HB2 2 31 CYS HA 4.500 . 5.000 3.958 3.799 4.095 . 0 0 "[ . 1 ]" 3
762 2 24 CYS HB2 2 31 CYS HB3 4.500 . 5.000 3.735 3.685 3.914 . 0 0 "[ . 1 ]" 3
763 2 24 CYS HB3 2 25 VAL H 2.800 . 3.300 3.306 3.211 3.460 0.160 13 0 "[ . 1 ]" 3
764 2 24 CYS HB3 2 26 THR MG 4.500 . 5.000 5.197 5.172 5.225 0.225 6 0 "[ . 1 ]" 3
765 2 24 CYS HB3 2 31 CYS HA 4.500 . 5.000 4.118 3.866 4.448 . 0 0 "[ . 1 ]" 3
766 2 24 CYS HB3 2 31 CYS HB3 4.500 . 5.000 4.611 4.481 5.075 0.075 13 0 "[ . 1 ]" 3
767 2 25 VAL H 2 25 VAL HA 2.600 . 3.100 2.854 2.818 2.869 . 0 0 "[ . 1 ]" 3
768 2 25 VAL H 2 25 VAL HB 2.300 . 2.800 2.718 2.651 2.794 . 0 0 "[ . 1 ]" 3
769 2 25 VAL H 2 25 VAL MG2 4.500 . 5.000 1.836 1.772 1.859 0.028 6 0 "[ . 1 ]" 3
770 2 25 VAL H 2 25 VAL MG1 4.500 . 5.000 3.704 3.698 3.714 . 0 0 "[ . 1 ]" 3
771 2 25 VAL H 2 26 THR H 2.600 . 3.100 2.540 2.502 2.662 . 0 0 "[ . 1 ]" 3
772 2 25 VAL H 2 26 THR HA 4.500 . 5.000 5.245 5.213 5.345 0.345 13 0 "[ . 1 ]" 3
773 2 25 VAL H 2 31 CYS HB3 4.500 . 5.000 5.116 5.088 5.198 0.198 13 0 "[ . 1 ]" 3
774 2 25 VAL HA 2 26 THR H 3.300 . 3.800 3.486 3.466 3.491 . 0 0 "[ . 1 ]" 3
775 2 25 VAL HA 2 27 SER H 4.000 . 4.500 4.419 4.289 4.552 0.052 13 0 "[ . 1 ]" 3
776 2 25 VAL HA 2 29 ALA H 3.600 . 4.100 3.878 3.089 4.176 0.076 12 0 "[ . 1 ]" 3
777 2 25 VAL HB 2 26 THR H 3.500 . 4.000 2.714 2.628 2.863 . 0 0 "[ . 1 ]" 3
778 2 25 VAL MG2 2 26 THR H 4.500 . 5.000 3.539 3.472 3.607 . 0 0 "[ . 1 ]" 3
779 2 25 VAL MG1 2 26 THR H 4.500 . 5.000 3.890 3.848 3.967 . 0 0 "[ . 1 ]" 3
780 2 26 THR H 2 26 THR HA 2.500 . 3.000 2.906 2.887 2.933 . 0 0 "[ . 1 ]" 3
781 2 26 THR H 2 26 THR HB 2.600 . 3.100 2.434 2.408 2.479 . 0 0 "[ . 1 ]" 3
782 2 26 THR H 2 27 SER H 2.800 . 3.300 2.452 2.343 2.559 . 0 0 "[ . 1 ]" 3
783 2 26 THR HA 2 27 SER H 3.500 . 4.000 3.543 3.512 3.564 . 0 0 "[ . 1 ]" 3
784 2 26 THR HB 2 27 SER H 3.000 . 3.500 3.814 3.793 3.876 0.376 13 0 "[ . 1 ]" 3
785 2 26 THR MG 2 27 SER H 4.500 . 5.000 1.831 1.807 1.869 . 0 0 "[ . 1 ]" 3
786 2 26 THR MG 2 27 SER HA 3.500 . 4.000 3.365 3.289 3.522 . 0 0 "[ . 1 ]" 3
787 2 26 THR MG 2 27 SER HB3 4.500 . 5.000 4.111 3.965 4.182 . 0 0 "[ . 1 ]" 3
788 2 26 THR MG 2 27 SER HB2 4.500 . 5.000 2.955 2.833 3.173 . 0 0 "[ . 1 ]" 3
789 2 27 SER H 2 27 SER HA 2.900 . 3.400 2.957 2.935 3.001 . 0 0 "[ . 1 ]" 3
790 2 27 SER H 2 27 SER HB2 3.000 . 3.500 2.138 2.029 2.284 . 0 0 "[ . 1 ]" 3
791 2 27 SER H 2 27 SER HB3 3.000 . 3.500 3.465 3.367 3.580 0.080 13 0 "[ . 1 ]" 3
792 2 27 SER H 2 28 ASN H 2.500 . 3.000 2.886 2.166 3.070 0.070 6 0 "[ . 1 ]" 3
793 2 27 SER H 2 28 ASN HA 4.000 . 4.500 4.750 4.707 4.797 0.297 6 0 "[ . 1 ]" 3
794 2 27 SER H 2 29 ALA H 3.500 . 4.000 3.999 3.449 4.121 0.121 13 0 "[ . 1 ]" 3
795 2 27 SER HA 2 27 SER HB3 2.600 . 3.100 2.652 2.581 2.737 . 0 0 "[ . 1 ]" 3
796 2 27 SER HA 2 28 ASN H 3.200 . 3.700 3.385 3.045 3.552 . 0 0 "[ . 1 ]" 3
797 2 27 SER HA 2 28 ASN HD21 4.500 . 5.000 3.989 2.852 5.135 0.135 4 0 "[ . 1 ]" 3
798 2 27 SER HA 2 28 ASN HD22 4.500 . 5.000 4.425 3.714 5.070 0.070 13 0 "[ . 1 ]" 3
799 2 28 ASN H 2 28 ASN HA 2.100 . 2.600 2.663 2.338 2.888 0.288 13 0 "[ . 1 ]" 3
800 2 28 ASN H 2 28 ASN HB3 3.800 . 4.300 3.422 2.833 3.719 . 0 0 "[ . 1 ]" 3
801 2 28 ASN H 2 28 ASN HB2 3.500 . 4.000 3.990 3.888 4.043 0.043 12 0 "[ . 1 ]" 3
802 2 28 ASN H 2 29 ALA H 2.500 . 3.000 2.331 1.921 3.127 0.127 4 0 "[ . 1 ]" 3
803 2 28 ASN H 2 29 ALA MB 3.500 2.700 4.000 3.463 2.931 4.297 0.297 13 0 "[ . 1 ]" 3
804 2 28 ASN HA 2 28 ASN HB3 2.500 . 3.000 2.410 2.369 2.520 . 0 0 "[ . 1 ]" 3
805 2 28 ASN HA 2 28 ASN HB2 2.800 . 3.300 2.529 2.398 2.587 . 0 0 "[ . 1 ]" 3
806 2 28 ASN HA 2 29 ALA H 2.600 . 3.100 2.754 2.467 2.890 . 0 0 "[ . 1 ]" 3
807 2 28 ASN HB3 2 29 ALA H 3.800 . 4.300 4.597 4.481 4.630 0.330 12 0 "[ . 1 ]" 3
808 2 28 ASN HB2 2 29 ALA H 3.800 . 4.300 4.393 4.311 4.496 0.196 3 0 "[ . 1 ]" 3
809 2 29 ALA H 2 29 ALA HA 2.700 . 3.200 2.974 2.674 3.005 . 0 0 "[ . 1 ]" 3
810 2 29 ALA H 2 29 ALA MB 1.900 . 2.400 2.220 1.979 2.375 . 0 0 "[ . 1 ]" 3
811 2 29 ALA H 2 30 ILE H 4.000 . 4.500 4.490 4.110 4.550 0.050 9 0 "[ . 1 ]" 3
812 2 29 ALA HA 2 30 ILE H 2.100 . 2.600 2.437 2.277 2.617 0.017 3 0 "[ . 1 ]" 3
813 2 29 ALA MB 2 30 ILE H 3.000 . 3.500 2.711 2.389 3.608 0.108 13 0 "[ . 1 ]" 3
814 2 30 ILE H 2 30 ILE HA 2.800 . 3.300 2.935 2.901 2.972 . 0 0 "[ . 1 ]" 3
815 2 30 ILE H 2 30 ILE HB 2.200 . 2.700 2.479 2.409 2.707 0.007 13 0 "[ . 1 ]" 3
816 2 30 ILE H 2 30 ILE HG13 4.500 . 5.000 2.505 1.939 4.466 . 0 0 "[ . 1 ]" 3
817 2 30 ILE H 2 30 ILE HG12 4.500 . 5.000 3.178 1.949 3.838 . 0 0 "[ . 1 ]" 3
818 2 30 ILE H 2 30 ILE MD 4.500 . 5.000 3.359 2.156 3.941 . 0 0 "[ . 1 ]" 3
819 2 30 ILE H 2 31 CYS H 3.800 . 4.300 4.409 2.623 4.601 0.301 10 0 "[ . 1 ]" 3
820 2 30 ILE HA 2 30 ILE HB 2.900 . 3.400 3.032 3.027 3.036 . 0 0 "[ . 1 ]" 3
821 2 30 ILE HA 2 30 ILE MD 4.500 . 5.000 3.383 1.896 3.883 . 0 0 "[ . 1 ]" 3
822 2 30 ILE HA 2 31 CYS H 2.000 . 2.500 2.245 2.180 2.611 0.111 13 0 "[ . 1 ]" 3
823 2 30 ILE HB 2 31 CYS H 3.400 . 3.900 4.037 3.959 4.248 0.348 13 0 "[ . 1 ]" 3
824 2 30 ILE HG12 2 31 CYS H 4.500 . 5.000 4.665 4.425 5.102 0.102 3 0 "[ . 1 ]" 3
825 2 30 ILE MG 2 32 GLU H 4.500 . 5.000 4.155 3.806 4.664 . 0 0 "[ . 1 ]" 3
826 2 30 ILE MD 2 31 CYS H 4.500 . 5.000 4.735 3.449 5.077 0.077 10 0 "[ . 1 ]" 3
827 2 30 ILE MD 2 32 GLU QG 4.500 . 5.000 4.800 4.467 5.013 0.013 1 0 "[ . 1 ]" 3
828 2 31 CYS H 2 31 CYS HA 3.000 . 3.500 2.986 2.953 2.993 . 0 0 "[ . 1 ]" 3
829 2 31 CYS H 2 31 CYS HB2 2.600 . 3.100 2.704 2.595 2.914 . 0 0 "[ . 1 ]" 3
830 2 31 CYS H 2 31 CYS HB3 3.000 . 3.500 3.682 3.599 3.712 0.212 8 0 "[ . 1 ]" 3
831 2 31 CYS H 2 32 GLU H 4.000 . 4.500 4.286 4.162 4.515 0.015 13 0 "[ . 1 ]" 3
832 2 31 CYS HA 2 31 CYS HB2 2.900 . 3.400 3.022 2.988 3.028 . 0 0 "[ . 1 ]" 3
833 2 31 CYS HA 2 31 CYS HB3 2.800 . 3.300 2.368 2.313 2.393 . 0 0 "[ . 1 ]" 3
834 2 31 CYS HA 2 32 GLU H 2.100 . 2.600 2.235 2.199 2.256 . 0 0 "[ . 1 ]" 3
835 2 31 CYS HA 2 32 GLU QG 4.500 . 5.000 4.452 3.559 4.873 . 0 0 "[ . 1 ]" 3
836 2 31 CYS HB2 2 32 GLU H 4.500 . 5.000 4.247 3.957 4.342 . 0 0 "[ . 1 ]" 3
837 2 31 CYS HB3 2 32 GLU H 3.400 . 3.900 3.808 3.594 3.950 0.050 4 0 "[ . 1 ]" 3
838 1 32 GLU H 1 32 GLU HA 2.800 . 3.300 2.972 2.944 2.993 . 0 0 "[ . 1 ]" 3
839 1 32 GLU H 1 32 GLU HB3 3.500 . 4.000 3.638 3.297 3.778 . 0 0 "[ . 1 ]" 3
840 1 32 GLU H 1 32 GLU HB2 3.500 . 4.000 2.718 2.485 3.845 . 0 0 "[ . 1 ]" 3
841 1 32 GLU H 1 32 GLU QG 4.500 . 5.000 3.449 2.001 3.863 . 0 0 "[ . 1 ]" 3
842 1 32 GLU H 1 33 TYR H 4.500 . 5.000 4.418 4.367 4.461 . 0 0 "[ . 1 ]" 3
843 1 32 GLU HA 1 33 TYR H 2.200 . 2.700 2.369 2.285 2.515 . 0 0 "[ . 1 ]" 3
844 1 32 GLU HA 1 33 TYR QE 4.500 . 5.000 4.959 4.719 5.174 0.174 12 0 "[ . 1 ]" 3
845 1 32 GLU HA 1 33 TYR QD 4.500 . 5.000 4.242 3.859 4.428 . 0 0 "[ . 1 ]" 3
846 1 32 GLU HB2 1 33 TYR H 3.600 . 4.100 4.001 2.876 4.237 0.137 8 0 "[ . 1 ]" 3
847 1 32 GLU HB3 1 33 TYR H 3.600 . 4.100 2.945 2.433 4.009 . 0 0 "[ . 1 ]" 3
848 1 32 GLU QG 1 33 TYR H 5.500 . 6.000 3.645 3.368 3.867 . 0 0 "[ . 1 ]" 3
849 1 32 GLU QG 1 34 LEU H 5.500 . 6.000 5.912 3.059 7.522 1.522 10 6 "[ *.**- + *]" 3
850 1 33 TYR H 1 33 TYR HB2 3.500 . 4.000 2.513 2.416 2.629 . 0 0 "[ . 1 ]" 3
851 1 33 TYR H 1 33 TYR HB3 3.300 . 3.800 3.715 3.653 3.784 . 0 0 "[ . 1 ]" 3
852 1 33 TYR H 1 33 TYR QE 4.500 . 5.000 5.047 4.779 5.356 0.356 11 0 "[ . 1 ]" 3
853 1 33 TYR H 1 33 TYR QD 4.500 . 5.000 3.504 3.157 3.692 . 0 0 "[ . 1 ]" 3
854 1 33 TYR H 1 34 LEU H 3.100 . 3.600 3.304 1.968 4.559 0.959 6 6 "[ *.+-* * *]" 3
855 1 33 TYR HA 1 33 TYR HB2 3.000 . 3.500 3.035 3.019 3.040 . 0 0 "[ . 1 ]" 3
856 1 33 TYR HA 1 33 TYR QE 4.500 . 5.000 4.276 4.210 4.372 . 0 0 "[ . 1 ]" 3
857 1 33 TYR HA 1 34 LEU H 3.000 . 3.500 3.043 2.420 3.592 0.092 12 0 "[ . 1 ]" 3
858 1 33 TYR HB2 1 33 TYR QE 4.500 . 5.000 4.444 4.435 4.453 . 0 0 "[ . 1 ]" 3
859 1 33 TYR HB2 1 33 TYR QD 2.600 . 3.100 2.340 2.314 2.370 . 0 0 "[ . 1 ]" 3
860 1 33 TYR HB2 1 34 LEU H 4.000 . 4.500 3.104 1.937 4.330 . 0 0 "[ . 1 ]" 3
861 1 33 TYR HB3 1 33 TYR QE 4.500 . 5.000 4.547 4.520 4.560 . 0 0 "[ . 1 ]" 3
862 1 33 TYR HB3 1 33 TYR QD 2.700 . 3.200 2.742 2.631 2.790 . 0 0 "[ . 1 ]" 3
863 1 33 TYR HB3 1 34 LEU H 4.000 . 4.500 3.031 1.916 4.472 . 0 0 "[ . 1 ]" 3
864 1 33 TYR QD 1 34 LEU H 6.500 . 7.000 4.112 3.651 4.885 . 0 0 "[ . 1 ]" 3
865 1 34 LEU H 1 34 LEU HA 2.600 . 3.100 2.971 2.883 3.000 . 0 0 "[ . 1 ]" 3
866 1 34 LEU H 1 34 LEU QB 2.000 . 2.500 2.333 2.001 2.943 0.443 7 0 "[ . 1 ]" 3
867 1 34 LEU H 1 34 LEU MD1 4.500 . 5.000 3.658 2.956 4.457 . 0 0 "[ . 1 ]" 3
868 1 34 LEU H 1 34 LEU MD2 4.500 . 5.000 4.196 3.028 4.657 . 0 0 "[ . 1 ]" 3
869 1 34 LEU H 1 35 GLU H 3.800 . 4.300 3.729 2.186 4.621 0.321 2 0 "[ . 1 ]" 3
870 1 34 LEU HA 1 34 LEU MD1 4.500 . 5.000 3.017 2.078 3.839 . 0 0 "[ . 1 ]" 3
871 1 34 LEU HA 1 34 LEU MD2 4.500 . 5.000 3.149 1.982 3.952 . 0 0 "[ . 1 ]" 3
872 1 34 LEU HA 1 35 GLU H 2.300 . 2.800 2.622 2.208 3.595 0.795 12 3 "[ *. 1 +-]" 3
873 1 34 LEU HA 1 36 PRO QD 3.500 . 4.000 4.137 3.072 5.987 1.987 3 4 "[ +*. -* ]" 3
874 1 34 LEU QB 1 35 GLU H 3.100 . 3.600 3.313 2.141 4.002 0.402 6 0 "[ . 1 ]" 3
875 1 34 LEU MD1 1 35 GLU H 4.500 . 5.000 4.462 1.988 5.489 0.489 1 0 "[ . 1 ]" 3
876 1 34 LEU MD2 1 35 GLU H 4.500 . 5.000 4.250 2.727 5.329 0.329 7 0 "[ . 1 ]" 3
877 1 35 GLU H 1 35 GLU HA 2.900 . 3.400 2.921 2.815 3.003 . 0 0 "[ . 1 ]" 3
878 1 35 GLU H 1 35 GLU HB3 2.900 . 3.400 3.121 2.448 3.665 0.265 4 0 "[ . 1 ]" 3
879 1 35 GLU H 1 35 GLU HB2 2.900 . 3.400 2.849 1.950 3.967 0.567 5 1 "[ + 1 ]" 3
880 1 35 GLU H 1 35 GLU QG 4.500 . 5.000 3.499 1.921 4.265 . 0 0 "[ . 1 ]" 3
881 1 35 GLU H 1 36 PRO HD3 4.500 . 5.000 3.242 2.247 4.955 . 0 0 "[ . 1 ]" 3
882 1 35 GLU H 1 36 PRO HD2 4.500 . 5.000 3.980 2.191 4.947 . 0 0 "[ . 1 ]" 3
883 1 35 GLU HA 1 36 PRO QG 4.500 . 5.000 4.174 3.884 5.298 0.298 13 0 "[ . 1 ]" 3
884 1 35 GLU HA 1 36 PRO HD3 3.500 . 4.000 2.686 2.003 3.864 . 0 0 "[ . 1 ]" 3
885 1 35 GLU HA 1 36 PRO HD2 3.500 . 4.000 2.461 2.135 3.904 . 0 0 "[ . 1 ]" 3
886 1 36 PRO HA 1 36 PRO HB3 2.700 . 3.200 2.266 2.264 2.268 . 0 0 "[ . 1 ]" 3
887 1 36 PRO HA 1 36 PRO HD3 4.500 . 5.000 3.686 3.638 3.722 . 0 0 "[ . 1 ]" 3
888 1 36 PRO HA 1 36 PRO HD2 4.500 . 5.000 4.092 4.088 4.095 . 0 0 "[ . 1 ]" 3
889 1 36 PRO HB3 1 36 PRO QG 1.900 . 2.400 2.180 2.178 2.181 . 0 0 "[ . 1 ]" 3
890 1 36 PRO HB3 1 36 PRO HD3 4.500 2.400 5.000 3.688 3.651 3.723 . 0 0 "[ . 1 ]" 3
891 1 36 PRO HB2 1 36 PRO HD3 4.500 2.300 5.000 4.085 4.080 4.089 . 0 0 "[ . 1 ]" 3
892 1 36 PRO HD2 1 36 PRO QG 3.500 2.400 4.000 2.214 2.211 2.217 0.189 3 0 "[ . 1 ]" 3
893 1 36 PRO QD 1 39 LYS QG 4.500 . 5.000 5.506 3.294 9.904 4.904 10 5 "[ - * + **]" 3
894 1 36 PRO QD 1 39 LYS QD 4.500 . 5.000 5.981 3.612 10.901 5.901 12 5 "[ - * * +*]" 3
895 1 39 LYS HA 1 39 LYS QB 2.500 . 3.000 2.370 2.205 2.473 . 0 0 "[ . 1 ]" 3
896 1 39 LYS H 1 40 ILE H 4.500 . 5.000 4.345 3.666 4.590 . 0 0 "[ . 1 ]" 3
897 1 39 LYS HA 1 39 LYS QD 4.500 . 5.000 3.527 2.414 4.267 . 0 0 "[ . 1 ]" 3
898 1 39 LYS HA 1 40 ILE H 2.900 . 3.400 2.293 2.223 2.457 . 0 0 "[ . 1 ]" 3
899 1 39 LYS HA 1 44 THR HG1 4.000 . 4.500 11.530 10.877 12.083 7.583 13 13 [****-*******+] 3
900 1 39 LYS QB 1 39 LYS QD 2.700 . 3.200 2.104 1.935 2.296 . 0 0 "[ . 1 ]" 3
901 1 39 LYS QB 1 40 ILE H 4.000 . 4.500 3.273 2.518 4.010 . 0 0 "[ . 1 ]" 3
902 1 39 LYS QB 1 43 SER QB 4.500 . 5.000 11.320 10.767 12.474 7.474 2 13 [*+***-*******] 3
903 1 39 LYS QD 1 40 ILE H 4.500 . 5.000 4.644 3.942 5.019 0.019 2 0 "[ . 1 ]" 3
904 1 40 ILE H 1 40 ILE HB 3.600 . 4.100 2.358 2.069 2.532 . 0 0 "[ . 1 ]" 3
905 1 40 ILE H 1 40 ILE HG13 4.500 . 5.000 4.450 4.384 4.499 . 0 0 "[ . 1 ]" 3
906 1 40 ILE H 1 40 ILE HG12 4.500 . 5.000 4.479 3.863 4.665 . 0 0 "[ . 1 ]" 3
907 1 40 ILE H 1 40 ILE MG 3.500 . 4.000 2.202 1.910 2.961 . 0 0 "[ . 1 ]" 3
908 1 40 ILE H 1 40 ILE MD 3.500 . 4.000 3.919 3.760 4.155 0.155 13 0 "[ . 1 ]" 3
909 1 40 ILE H 1 41 VAL H 4.500 . 5.000 4.650 4.601 4.682 . 0 0 "[ . 1 ]" 3
910 1 40 ILE H 1 41 VAL HA 4.500 . 5.000 5.494 5.288 5.765 0.765 12 5 "[ * *-* 1 + ]" 3
911 1 40 ILE H 1 42 VAL H 3.400 . 3.900 6.931 6.728 7.398 3.498 7 13 [****-*+******] 3
912 1 40 ILE HA 1 40 ILE HB 2.700 . 3.200 2.574 2.483 2.811 . 0 0 "[ . 1 ]" 3
913 1 40 ILE HA 1 40 ILE MG 3.500 . 4.000 3.187 3.081 3.211 . 0 0 "[ . 1 ]" 3
914 1 40 ILE HA 1 40 ILE HG13 3.500 . 4.000 2.946 2.519 3.539 . 0 0 "[ . 1 ]" 3
915 1 40 ILE HA 1 40 ILE HG12 3.500 . 4.000 3.493 2.463 3.743 . 0 0 "[ . 1 ]" 3
916 1 40 ILE HA 1 40 ILE MD 3.500 . 4.000 2.015 1.896 2.379 . 0 0 "[ . 1 ]" 3
917 1 40 ILE HA 1 41 VAL H 3.000 . 3.500 2.323 2.269 2.446 . 0 0 "[ . 1 ]" 3
918 1 40 ILE HA 1 42 VAL H 4.200 . 4.700 5.651 5.312 5.930 1.230 7 13 [****-*+******] 3
919 1 40 ILE QG 1 42 VAL QG 4.500 . 5.000 2.705 1.909 3.607 . 0 0 "[ . 1 ]" 3
920 1 40 ILE QG 1 44 THR MG 4.500 . 5.000 8.017 6.928 9.792 4.792 2 13 [*+**-********] 3
921 1 40 ILE HB 1 41 VAL H 4.000 . 4.500 4.170 3.911 4.351 . 0 0 "[ . 1 ]" 3
922 1 40 ILE HB 1 42 VAL QG 4.500 . 5.000 4.912 4.337 5.340 0.340 7 0 "[ . 1 ]" 3
923 1 40 ILE MD 1 41 VAL H 4.500 . 5.000 2.412 1.783 3.254 0.017 2 0 "[ . 1 ]" 3
924 1 40 ILE MD 1 44 THR MG 4.000 . 4.500 8.588 7.794 9.083 4.583 7 13 [****-*+******] 3
925 1 41 VAL H 1 41 VAL HB 3.000 . 3.500 3.113 2.894 3.569 0.069 12 0 "[ . 1 ]" 3
926 1 41 VAL H 1 41 VAL MG1 4.500 . 5.000 3.601 2.205 3.999 . 0 0 "[ . 1 ]" 3
927 1 41 VAL H 1 41 VAL MG2 4.500 . 5.000 3.020 2.694 3.987 . 0 0 "[ . 1 ]" 3
928 1 41 VAL H 1 42 VAL H 4.500 . 5.000 3.678 3.402 3.823 . 0 0 "[ . 1 ]" 3
929 1 41 VAL H 1 44 THR HB 4.500 . 5.000 9.575 8.552 9.944 4.944 1 13 [+***-********] 3
930 1 41 VAL HB 1 42 VAL H 3.800 . 4.300 4.397 4.324 4.538 0.238 12 0 "[ . 1 ]" 3
931 1 41 VAL QG 1 42 VAL H 2.500 . 3.000 3.242 3.015 3.415 0.415 3 0 "[ . 1 ]" 3
932 1 42 VAL H 1 42 VAL HA 2.300 . 2.800 2.944 2.913 2.960 0.160 13 0 "[ . 1 ]" 3
933 1 42 VAL HA 1 43 SER H 3.500 . 4.000 3.428 2.795 3.578 . 0 0 "[ . 1 ]" 3
934 1 42 VAL HB 1 43 SER H 2.900 . 3.400 1.980 1.877 2.385 . 0 0 "[ . 1 ]" 3
935 1 42 VAL HB 1 46 TYR QE 4.500 . 5.000 3.734 3.210 4.438 . 0 0 "[ . 1 ]" 3
936 1 42 VAL HB 1 46 TYR QD 2.500 . 3.000 3.071 2.983 3.152 0.152 4 0 "[ . 1 ]" 3
937 1 42 VAL QG 1 43 SER H 4.000 . 4.500 2.166 1.877 2.820 . 0 0 "[ . 1 ]" 3
938 1 43 SER H 1 43 SER QB 3.200 . 3.700 2.499 2.155 2.695 . 0 0 "[ . 1 ]" 3
939 1 43 SER H 1 46 TYR H 4.500 . 5.000 4.683 4.301 5.048 0.048 5 0 "[ . 1 ]" 3
940 1 43 SER H 1 46 TYR QD 4.500 . 5.000 2.805 2.298 3.511 . 0 0 "[ . 1 ]" 3
941 1 43 SER HA 1 43 SER HB3 2.600 . 3.100 3.008 2.790 3.037 . 0 0 "[ . 1 ]" 3
942 1 43 SER HA 1 43 SER HB2 2.600 . 3.100 2.506 2.346 2.920 . 0 0 "[ . 1 ]" 3
943 1 43 SER HA 1 44 THR H 2.900 . 3.400 2.227 2.218 2.247 . 0 0 "[ . 1 ]" 3
944 1 43 SER QB 1 44 THR H 3.800 . 4.300 3.817 3.420 3.982 . 0 0 "[ . 1 ]" 3
945 1 43 SER HB2 1 46 TYR H 4.500 . 5.000 4.330 3.857 4.523 . 0 0 "[ . 1 ]" 3
946 1 43 SER HB2 1 46 TYR QB 5.500 . 6.000 3.717 2.886 4.238 . 0 0 "[ . 1 ]" 3
947 1 43 SER HB3 1 46 TYR H 4.500 . 5.000 2.928 2.457 3.244 . 0 0 "[ . 1 ]" 3
948 1 43 SER HB3 1 46 TYR QB 5.500 . 6.000 2.221 1.919 2.604 . 0 0 "[ . 1 ]" 3
949 1 43 SER QB 1 46 TYR QD 4.000 . 4.500 3.070 2.943 3.149 . 0 0 "[ . 1 ]" 3
950 1 43 SER QB 1 46 TYR QE 4.500 . 5.000 5.116 5.067 5.180 0.180 3 0 "[ . 1 ]" 3
951 1 43 SER QB 1 47 LEU QD 4.500 . 5.000 4.564 3.532 6.088 1.088 11 2 "[ - . 1+ ]" 3
952 1 44 THR H 1 44 THR HB 3.600 . 4.100 2.428 2.379 2.478 . 0 0 "[ . 1 ]" 3
953 1 44 THR H 1 44 THR MG 4.500 . 5.000 1.930 1.907 2.004 . 0 0 "[ . 1 ]" 3
954 1 44 THR H 1 45 LYS H 4.500 . 5.000 2.666 2.494 2.834 . 0 0 "[ . 1 ]" 3
955 1 44 THR HA 1 44 THR HB 3.000 . 3.500 2.490 2.466 2.511 . 0 0 "[ . 1 ]" 3
956 1 44 THR HA 1 45 LYS H 3.900 . 4.400 3.556 3.527 3.582 . 0 0 "[ . 1 ]" 3
957 1 44 THR HA 1 47 LEU H 3.400 . 3.900 3.205 2.814 3.340 . 0 0 "[ . 1 ]" 3
958 1 44 THR HA 1 47 LEU QB 4.000 . 4.500 2.324 2.000 2.918 . 0 0 "[ . 1 ]" 3
959 1 44 THR HA 1 47 LEU HG 3.500 . 4.000 3.933 3.459 4.353 0.353 4 0 "[ . 1 ]" 3
960 1 44 THR HA 1 47 LEU QD 4.500 . 5.000 3.102 1.874 3.573 . 0 0 "[ . 1 ]" 3
961 1 44 THR HB 1 45 LYS H 3.400 . 3.900 3.892 3.807 3.956 0.056 13 0 "[ . 1 ]" 3
962 1 44 THR HB 1 47 LEU QD 4.500 . 5.000 4.860 3.620 5.265 0.265 7 0 "[ . 1 ]" 3
963 1 44 THR MG 1 45 LYS H 4.500 . 5.000 1.942 1.841 2.093 . 0 0 "[ . 1 ]" 3
964 1 44 THR MG 1 47 LEU H 4.500 . 5.000 4.912 4.510 5.124 0.124 5 0 "[ . 1 ]" 3
965 1 44 THR MG 1 47 LEU QB 4.500 . 5.000 4.543 4.211 4.887 . 0 0 "[ . 1 ]" 3
966 1 44 THR MG 1 48 GLN QG 4.500 . 5.000 4.874 4.399 5.059 0.059 7 0 "[ . 1 ]" 3
967 1 45 LYS H 1 45 LYS HA 2.900 . 3.400 2.824 2.813 2.840 . 0 0 "[ . 1 ]" 3
968 1 45 LYS H 1 45 LYS HB3 3.000 . 3.500 2.923 2.480 3.528 0.028 3 0 "[ . 1 ]" 3
969 1 45 LYS H 1 45 LYS HB2 3.000 . 3.500 2.186 1.963 2.530 . 0 0 "[ . 1 ]" 3
970 1 45 LYS H 1 45 LYS QG 4.500 . 5.000 3.548 2.166 3.935 . 0 0 "[ . 1 ]" 3
971 1 45 LYS H 1 45 LYS QD 4.500 . 5.000 4.050 2.059 4.536 . 0 0 "[ . 1 ]" 3
972 1 45 LYS H 1 46 TYR H 3.900 . 4.400 2.785 2.672 3.002 . 0 0 "[ . 1 ]" 3
973 1 45 LYS H 1 47 LEU H 4.400 . 4.900 4.330 3.976 4.646 . 0 0 "[ . 1 ]" 3
974 1 45 LYS HA 1 45 LYS HB3 2.400 . 2.900 2.918 2.450 3.032 0.132 2 0 "[ . 1 ]" 3
975 1 45 LYS HA 1 45 LYS HB2 2.400 . 2.900 2.698 2.472 3.030 0.130 3 0 "[ . 1 ]" 3
976 1 45 LYS HA 1 46 TYR H 3.500 . 4.000 3.541 3.484 3.588 . 0 0 "[ . 1 ]" 3
977 1 45 LYS HA 1 48 GLN H 3.000 . 3.500 3.515 3.357 3.624 0.124 5 0 "[ . 1 ]" 3
978 1 45 LYS HA 1 48 GLN QB 2.800 . 3.300 2.569 2.336 2.778 . 0 0 "[ . 1 ]" 3
979 1 45 LYS HB3 1 46 TYR H 4.500 . 5.000 2.710 2.232 3.919 . 0 0 "[ . 1 ]" 3
980 1 45 LYS HB2 1 46 TYR H 4.500 . 5.000 3.387 2.442 3.885 . 0 0 "[ . 1 ]" 3
981 1 45 LYS QB 1 48 GLN QB 4.500 . 5.000 4.396 4.178 4.587 . 0 0 "[ . 1 ]" 3
982 1 45 LYS QG 1 46 TYR H 4.500 . 5.000 4.188 3.489 4.526 . 0 0 "[ . 1 ]" 3
983 1 45 LYS QG 1 48 GLN QB 4.500 . 5.000 3.854 3.409 4.261 . 0 0 "[ . 1 ]" 3
984 1 45 LYS QD 1 46 TYR H 3.400 . 3.900 3.801 3.550 3.923 0.023 1 0 "[ . 1 ]" 3
985 1 46 TYR H 1 46 TYR HA 2.900 . 3.400 2.867 2.835 2.916 . 0 0 "[ . 1 ]" 3
986 1 46 TYR H 1 46 TYR HB3 3.000 . 3.500 2.098 1.936 2.776 . 0 0 "[ . 1 ]" 3
987 1 46 TYR H 1 46 TYR HB2 3.000 . 3.500 2.825 2.084 3.075 . 0 0 "[ . 1 ]" 3
988 1 46 TYR H 1 46 TYR QD 4.500 . 5.000 3.875 3.662 4.089 . 0 0 "[ . 1 ]" 3
989 1 46 TYR HA 1 46 TYR HB3 2.800 . 3.300 2.968 2.913 3.026 . 0 0 "[ . 1 ]" 3
990 1 46 TYR HA 1 46 TYR HB2 2.800 . 3.300 2.356 2.276 2.658 . 0 0 "[ . 1 ]" 3
991 1 46 TYR HA 1 46 TYR QE 4.500 . 5.000 4.869 4.346 5.134 0.134 13 0 "[ . 1 ]" 3
992 1 46 TYR HA 1 46 TYR QD 2.500 . 3.000 2.699 2.199 2.970 . 0 0 "[ . 1 ]" 3
993 1 46 TYR HA 1 47 LEU H 3.500 . 4.000 3.572 3.523 3.603 . 0 0 "[ . 1 ]" 3
994 1 46 TYR HA 1 49 GLN H 3.300 . 3.800 3.557 3.364 3.848 0.048 11 0 "[ . 1 ]" 3
995 1 46 TYR HA 1 50 LEU H 4.500 . 5.000 4.461 4.045 4.929 . 0 0 "[ . 1 ]" 3
996 1 46 TYR HB3 1 46 TYR QE 4.500 . 5.000 4.453 4.431 4.555 . 0 0 "[ . 1 ]" 3
997 1 46 TYR HB3 1 47 LEU H 4.000 . 4.500 2.656 2.092 3.059 . 0 0 "[ . 1 ]" 3
998 1 46 TYR HB2 1 46 TYR QE 4.500 . 5.000 4.519 4.435 4.558 . 0 0 "[ . 1 ]" 3
999 1 46 TYR HB2 1 47 LEU H 4.000 . 4.500 3.877 3.343 4.209 . 0 0 "[ . 1 ]" 3
1000 1 46 TYR QE 1 47 LEU HA 4.500 . 5.000 4.371 3.724 5.660 0.660 1 2 "[+ . 1- ]" 3
1001 1 46 TYR QE 1 47 LEU QB 4.500 . 5.000 5.186 4.383 6.929 1.929 1 2 "[+ . 1- ]" 3
1002 1 46 TYR QE 1 47 LEU HG 4.500 . 5.000 5.292 3.992 8.114 3.114 1 3 "[+ * . 1- ]" 3
1003 1 46 TYR QE 1 47 LEU QD 2.500 . 3.000 3.043 2.129 5.460 2.460 11 3 "[- * . 1+ ]" 3
1004 1 46 TYR QE 1 50 LEU QB 4.500 . 5.000 3.868 3.158 4.585 . 0 0 "[ . 1 ]" 3
1005 1 46 TYR QE 1 50 LEU QD 3.000 . 3.500 2.427 2.018 2.818 . 0 0 "[ . 1 ]" 3
1006 1 46 TYR QD 1 47 LEU H 4.500 . 5.000 3.276 2.820 3.830 . 0 0 "[ . 1 ]" 3
1007 1 46 TYR QD 1 47 LEU HA 4.000 . 4.500 3.919 3.491 4.230 . 0 0 "[ . 1 ]" 3
1008 1 46 TYR QD 1 47 LEU QB 4.500 . 5.000 4.258 3.747 5.109 0.109 11 0 "[ . 1 ]" 3
1009 1 46 TYR QD 1 47 LEU HG 4.500 . 5.000 5.040 4.195 6.614 1.614 3 2 "[- + . 1 ]" 3
1010 1 46 TYR QD 1 47 LEU QD 2.000 . 2.500 2.796 2.041 4.813 2.313 3 3 "[- + . 1* ]" 3
1011 1 46 TYR QD 1 49 GLN H 4.500 . 5.000 5.006 4.646 5.089 0.089 3 0 "[ . 1 ]" 3
1012 1 46 TYR QD 1 50 LEU QB 4.500 . 5.000 3.855 3.183 4.618 . 0 0 "[ . 1 ]" 3
1013 1 46 TYR QD 1 50 LEU QD 4.000 . 4.500 3.033 2.136 3.938 . 0 0 "[ . 1 ]" 3
1014 1 47 LEU H 1 47 LEU HA 3.000 . 3.500 2.835 2.790 2.908 . 0 0 "[ . 1 ]" 3
1015 1 47 LEU H 1 47 LEU HG 3.500 . 4.000 3.825 2.674 4.138 0.138 13 0 "[ . 1 ]" 3
1016 1 47 LEU H 1 48 GLN H 3.200 . 3.700 2.761 2.504 2.893 . 0 0 "[ . 1 ]" 3
1017 1 47 LEU H 1 48 GLN QB 4.500 . 5.000 4.309 4.086 4.462 . 0 0 "[ . 1 ]" 3
1018 1 47 LEU HA 1 47 LEU HG 3.000 . 3.500 3.246 2.002 3.612 0.112 10 0 "[ . 1 ]" 3
1019 1 47 LEU HA 1 48 GLN H 3.300 . 3.800 3.564 3.529 3.585 . 0 0 "[ . 1 ]" 3
1020 1 47 LEU HA 1 50 LEU H 3.900 . 4.400 3.581 3.314 3.804 . 0 0 "[ . 1 ]" 3
1021 1 47 LEU HA 1 50 LEU QB 3.500 . 4.000 2.673 2.437 2.932 . 0 0 "[ . 1 ]" 3
1022 1 47 LEU HA 1 50 LEU HG 4.500 . 5.000 4.750 3.200 5.713 0.713 11 1 "[ . 1+ ]" 3
1023 1 47 LEU HA 1 50 LEU QD 4.000 . 4.500 3.367 2.933 4.005 . 0 0 "[ . 1 ]" 3
1024 1 47 LEU HA 1 51 GLN H 4.500 4.400 5.000 4.457 4.365 4.953 0.035 9 0 "[ . 1 ]" 3
1025 1 47 LEU QB 1 48 GLN H 2.900 . 3.400 2.607 2.410 2.809 . 0 0 "[ . 1 ]" 3
1026 1 47 LEU HG 1 48 GLN H 4.500 . 5.000 4.864 3.316 5.199 0.199 10 0 "[ . 1 ]" 3
1027 1 47 LEU HG 1 51 GLN QE 4.500 . 5.000 4.156 2.470 4.898 . 0 0 "[ . 1 ]" 3
1028 1 47 LEU QD 1 51 GLN HE21 3.500 . 4.000 3.094 2.241 4.201 0.201 10 0 "[ . 1 ]" 3
1029 1 47 LEU QD 1 51 GLN HE22 3.500 . 4.000 2.515 1.889 4.250 0.250 10 0 "[ . 1 ]" 3
1030 1 48 GLN H 1 48 GLN HA 2.700 . 3.200 2.868 2.802 2.911 . 0 0 "[ . 1 ]" 3
1031 1 48 GLN H 1 48 GLN HB3 2.700 . 3.200 3.195 3.060 3.266 0.066 1 0 "[ . 1 ]" 3
1032 1 48 GLN H 1 48 GLN HB2 2.700 . 3.200 1.949 1.935 2.003 . 0 0 "[ . 1 ]" 3
1033 1 48 GLN H 1 48 GLN HG3 4.500 . 5.000 4.028 3.710 4.327 . 0 0 "[ . 1 ]" 3
1034 1 48 GLN H 1 48 GLN HG2 4.500 . 5.000 4.163 3.563 4.487 . 0 0 "[ . 1 ]" 3
1035 1 48 GLN H 1 49 GLN H 3.100 . 3.600 2.734 2.570 2.884 . 0 0 "[ . 1 ]" 3
1036 1 48 GLN HA 1 48 GLN HB3 2.400 . 2.900 2.863 2.814 2.913 0.013 3 0 "[ . 1 ]" 3
1037 1 48 GLN HA 1 48 GLN HB2 2.400 . 2.900 2.859 2.807 2.906 0.006 12 0 "[ . 1 ]" 3
1038 1 48 GLN HA 1 48 GLN HG3 4.000 . 4.500 2.492 1.940 3.453 . 0 0 "[ . 1 ]" 3
1039 1 48 GLN HA 1 48 GLN HG2 4.000 . 4.500 2.982 1.941 3.517 . 0 0 "[ . 1 ]" 3
1040 1 48 GLN HA 1 49 GLN H 4.500 . 5.000 3.584 3.566 3.597 . 0 0 "[ . 1 ]" 3
1041 1 48 GLN HB3 1 49 GLN H 2.600 . 3.100 2.700 2.523 2.867 . 0 0 "[ . 1 ]" 3
1042 1 48 GLN QB 1 50 LEU H 4.000 . 4.500 4.378 4.277 4.512 0.012 5 0 "[ . 1 ]" 3
1043 1 48 GLN HB2 1 49 GLN H 2.600 . 3.100 3.017 2.876 3.138 0.038 3 0 "[ . 1 ]" 3
1044 1 48 GLN QG 1 51 GLN H 4.500 . 5.000 4.993 4.770 5.085 0.085 13 0 "[ . 1 ]" 3
1045 1 48 GLN QG 1 49 GLN H 4.500 . 5.000 4.334 4.184 4.431 . 0 0 "[ . 1 ]" 3
1046 1 48 GLN QG 1 52 LYS H 4.500 . 5.000 4.867 4.579 5.040 0.040 9 0 "[ . 1 ]" 3
1047 1 48 GLN QE 1 51 GLN HE21 4.500 . 5.000 4.692 4.149 5.019 0.019 9 0 "[ . 1 ]" 3
1048 1 48 GLN QE 1 51 GLN HE22 4.500 . 5.000 4.519 3.367 5.156 0.156 5 0 "[ . 1 ]" 3
1049 1 49 GLN H 1 49 GLN HA 2.700 . 3.200 2.840 2.796 2.868 . 0 0 "[ . 1 ]" 3
1050 1 49 GLN H 1 49 GLN QB 2.800 . 3.300 2.084 1.933 2.175 . 0 0 "[ . 1 ]" 3
1051 1 49 GLN H 1 49 GLN QG 4.500 . 5.000 3.707 2.839 4.006 . 0 0 "[ . 1 ]" 3
1052 1 49 GLN H 1 50 LEU H 2.800 . 3.300 2.689 2.597 2.830 . 0 0 "[ . 1 ]" 3
1053 1 49 GLN HA 1 49 GLN QE 4.500 . 5.000 3.846 2.261 4.652 . 0 0 "[ . 1 ]" 3
1054 1 49 GLN HA 1 50 LEU H 3.200 . 3.700 3.509 3.484 3.546 . 0 0 "[ . 1 ]" 3
1055 1 49 GLN HA 1 51 GLN H 4.500 . 5.000 4.492 3.867 4.674 . 0 0 "[ . 1 ]" 3
1056 1 49 GLN HA 1 52 LYS QB 4.300 . 4.800 2.939 2.632 3.219 . 0 0 "[ . 1 ]" 3
1057 1 49 GLN HA 1 52 LYS QG 4.500 . 5.000 4.609 3.893 5.013 0.013 4 0 "[ . 1 ]" 3
1058 1 49 GLN QB 1 50 LEU H 4.700 . 5.200 2.762 2.608 2.898 . 0 0 "[ . 1 ]" 3
1059 1 50 LEU H 1 50 LEU HB3 3.200 . 3.700 2.990 2.541 3.495 . 0 0 "[ . 1 ]" 3
1060 1 50 LEU H 1 50 LEU HB2 3.200 . 3.700 2.102 1.957 2.348 . 0 0 "[ . 1 ]" 3
1061 1 50 LEU H 1 50 LEU QD 4.500 . 5.000 2.964 1.888 3.533 . 0 0 "[ . 1 ]" 3
1062 1 50 LEU H 1 51 GLN H 3.000 . 3.500 2.517 2.369 2.682 . 0 0 "[ . 1 ]" 3
1063 1 50 LEU H 1 52 LYS H 4.300 . 4.800 4.204 3.883 4.729 . 0 0 "[ . 1 ]" 3
1064 1 50 LEU HA 1 50 LEU QB 2.600 . 3.100 2.501 2.425 2.550 . 0 0 "[ . 1 ]" 3
1065 1 50 LEU HA 1 51 GLN H 3.000 . 3.500 3.543 3.457 3.566 0.066 10 0 "[ . 1 ]" 3
1066 1 50 LEU HA 1 51 GLN QE 4.500 . 5.000 5.219 4.525 5.576 0.576 11 2 "[ - . 1+ ]" 3
1067 1 50 LEU HA 1 53 ASP QB 3.000 . 3.500 2.573 2.189 2.756 . 0 0 "[ . 1 ]" 3
1068 1 50 LEU HB3 1 51 GLN H 3.900 . 4.400 2.764 2.298 3.857 . 0 0 "[ . 1 ]" 3
1069 1 50 LEU QB 1 51 GLN QB 3.000 . 3.500 3.838 3.660 4.701 1.201 5 1 "[ + 1 ]" 3
1070 1 50 LEU QB 1 51 GLN QG 4.500 . 5.000 4.194 3.217 4.660 . 0 0 "[ . 1 ]" 3
1071 1 50 LEU HB2 1 51 GLN H 3.900 . 4.400 3.250 2.751 3.650 . 0 0 "[ . 1 ]" 3
1072 1 50 LEU HG 1 51 GLN QG 4.500 . 5.000 5.899 4.769 7.236 2.236 1 9 "[+ **- *****]" 3
1073 1 50 LEU QD 1 51 GLN H 4.500 . 5.000 3.864 3.633 4.021 . 0 0 "[ . 1 ]" 3
1074 1 50 LEU QD 1 51 GLN QG 4.500 . 5.000 4.859 4.340 5.646 0.646 1 1 "[+ . 1 ]" 3
1075 1 50 LEU QD 1 51 GLN HE21 4.500 . 5.000 4.259 3.702 4.748 . 0 0 "[ . 1 ]" 3
1076 1 50 LEU QD 1 51 GLN HE22 4.500 . 5.000 5.059 4.395 5.670 0.670 4 2 "[ +. 1- ]" 3
1077 1 50 LEU QD 1 54 LEU H 4.500 . 5.000 4.763 4.011 5.496 0.496 12 0 "[ . 1 ]" 3
1078 1 51 GLN H 1 51 GLN HA 2.800 . 3.300 2.876 2.829 2.922 . 0 0 "[ . 1 ]" 3
1079 1 51 GLN H 1 51 GLN HB3 2.600 . 3.100 3.231 3.129 3.545 0.445 5 0 "[ . 1 ]" 3
1080 1 51 GLN H 1 51 GLN HB2 2.600 . 3.100 1.978 1.907 2.680 . 0 0 "[ . 1 ]" 3
1081 1 51 GLN H 1 51 GLN QG 4.500 . 5.000 3.358 1.759 3.760 0.041 5 0 "[ . 1 ]" 3
1082 1 51 GLN H 1 52 LYS H 2.700 . 3.200 2.709 2.432 3.048 . 0 0 "[ . 1 ]" 3
1083 1 51 GLN HA 1 51 GLN HB3 3.000 . 3.500 2.802 2.349 2.872 . 0 0 "[ . 1 ]" 3
1084 1 51 GLN HA 1 51 GLN HB2 2.900 . 3.400 2.888 2.851 3.017 . 0 0 "[ . 1 ]" 3
1085 1 51 GLN HA 1 51 GLN QE 4.500 . 5.000 3.390 2.723 3.699 . 0 0 "[ . 1 ]" 3
1086 1 51 GLN HA 1 52 LYS H 4.500 . 5.000 3.582 3.532 3.605 . 0 0 "[ . 1 ]" 3
1087 1 51 GLN HA 1 53 ASP H 4.500 . 5.000 4.506 4.247 4.897 . 0 0 "[ . 1 ]" 3
1088 1 51 GLN HA 1 54 LEU QB 4.500 . 5.000 2.773 2.209 3.024 . 0 0 "[ . 1 ]" 3
1089 1 51 GLN HB3 1 52 LYS H 3.300 . 3.800 2.791 2.296 3.608 . 0 0 "[ . 1 ]" 3
1090 1 51 GLN HB2 1 52 LYS H 3.300 . 3.800 2.893 2.211 3.221 . 0 0 "[ . 1 ]" 3
1091 1 51 GLN QG 1 52 LYS H 4.500 . 5.000 4.228 3.462 4.451 . 0 0 "[ . 1 ]" 3
1092 1 51 GLN QE 1 52 LYS H 5.500 . 6.000 4.543 4.259 5.323 . 0 0 "[ . 1 ]" 3
1093 1 51 GLN QE 1 53 ASP H 5.500 . 6.000 6.126 5.740 6.513 0.513 5 1 "[ + 1 ]" 3
1094 1 52 LYS H 1 53 ASP H 2.900 . 3.400 2.675 2.469 2.877 . 0 0 "[ . 1 ]" 3
1095 1 52 LYS HA 1 55 ASN H 2.500 . 3.000 3.133 3.098 3.166 0.166 9 0 "[ . 1 ]" 3
1096 1 52 LYS HA 1 55 ASN HB3 2.900 . 3.400 3.265 2.979 3.414 0.014 5 0 "[ . 1 ]" 3
1097 1 52 LYS HA 1 55 ASN HB2 2.900 . 3.400 2.487 2.345 2.677 . 0 0 "[ . 1 ]" 3
1098 1 52 LYS HA 1 55 ASN QD 4.500 . 5.000 4.472 3.812 5.008 0.008 12 0 "[ . 1 ]" 3
1099 1 52 LYS HA 1 56 ASP H 3.600 . 4.100 4.187 4.108 4.254 0.154 12 0 "[ . 1 ]" 3
1100 1 52 LYS QB 1 53 ASP H 3.400 . 3.900 2.560 2.381 2.724 . 0 0 "[ . 1 ]" 3
1101 1 52 LYS QB 1 55 ASN QB 4.500 2.300 5.000 4.150 3.900 4.315 . 0 0 "[ . 1 ]" 3
1102 1 52 LYS QG 1 53 ASP H 4.500 . 5.000 4.076 3.533 4.428 . 0 0 "[ . 1 ]" 3
1103 1 52 LYS QG 1 55 ASN QB 4.500 2.300 5.000 3.498 3.135 4.258 . 0 0 "[ . 1 ]" 3
1104 1 53 ASP H 1 53 ASP HA 2.700 . 3.200 2.839 2.825 2.871 . 0 0 "[ . 1 ]" 3
1105 1 53 ASP H 1 53 ASP QB 2.800 . 3.300 2.087 1.933 2.181 . 0 0 "[ . 1 ]" 3
1106 1 53 ASP H 1 54 LEU H 2.800 . 3.300 2.714 2.573 2.769 . 0 0 "[ . 1 ]" 3
1107 1 53 ASP HA 1 53 ASP QB 2.600 . 3.100 2.460 2.386 2.550 . 0 0 "[ . 1 ]" 3
1108 1 53 ASP HA 1 54 LEU H 4.500 . 5.000 3.553 3.535 3.565 . 0 0 "[ . 1 ]" 3
1109 1 53 ASP HA 1 56 ASP HB3 2.700 . 3.200 3.061 2.779 3.217 0.017 11 0 "[ . 1 ]" 3
1110 1 53 ASP HA 1 56 ASP HB2 2.700 . 3.200 2.617 2.180 3.088 . 0 0 "[ . 1 ]" 3
1111 1 53 ASP QB 1 54 LEU H 3.700 . 4.200 2.507 2.387 2.686 . 0 0 "[ . 1 ]" 3
1112 1 53 ASP QB 1 54 LEU QD 4.500 . 5.000 4.719 4.200 4.965 . 0 0 "[ . 1 ]" 3
1113 1 54 LEU H 1 54 LEU HA 2.700 . 3.200 2.863 2.834 2.891 . 0 0 "[ . 1 ]" 3
1114 1 54 LEU H 1 54 LEU QB 2.300 . 2.800 2.092 1.925 2.169 . 0 0 "[ . 1 ]" 3
1115 1 54 LEU H 1 54 LEU HG 3.200 . 3.700 4.135 3.479 4.369 0.669 5 9 "[**-*+****1 ]" 3
1116 1 54 LEU H 1 54 LEU QD 4.500 . 5.000 3.575 3.353 3.666 . 0 0 "[ . 1 ]" 3
1117 1 54 LEU HA 1 54 LEU HG 3.200 . 3.700 2.255 2.014 2.419 . 0 0 "[ . 1 ]" 3
1118 1 54 LEU HA 1 55 ASN H 3.000 . 3.500 3.572 3.557 3.585 0.085 13 0 "[ . 1 ]" 3
1119 1 54 LEU QB 1 55 ASN H 2.700 . 3.200 2.467 2.386 2.533 . 0 0 "[ . 1 ]" 3
1120 1 54 LEU QB 1 56 ASP H 4.500 . 5.000 4.467 4.225 4.629 . 0 0 "[ . 1 ]" 3
1121 1 54 LEU HG 1 56 ASP H 4.500 . 5.000 5.788 5.670 5.986 0.986 13 13 [********-***+] 3
1122 1 54 LEU QD 1 55 ASN H 4.500 . 5.000 3.218 2.766 3.893 . 0 0 "[ . 1 ]" 3
1123 1 54 LEU QD 1 57 LYS HA 4.500 . 5.000 5.912 5.505 6.212 1.212 5 13 [****+*******-] 3
1124 1 55 ASN H 1 55 ASN HB3 2.500 . 3.000 3.025 2.869 3.053 0.053 12 0 "[ . 1 ]" 3
1125 1 55 ASN H 1 55 ASN HB2 2.500 . 3.000 1.967 1.946 2.062 . 0 0 "[ . 1 ]" 3
1126 1 55 ASN H 1 56 ASP H 3.400 . 3.900 2.586 2.516 2.667 . 0 0 "[ . 1 ]" 3
1127 1 55 ASN HA 1 55 ASN QB 2.600 . 3.100 2.533 2.500 2.539 . 0 0 "[ . 1 ]" 3
1128 1 55 ASN HA 1 55 ASN HD21 4.500 . 5.000 3.528 1.989 4.356 . 0 0 "[ . 1 ]" 3
1129 1 55 ASN HA 1 55 ASN HD22 4.500 . 5.000 3.932 3.215 4.411 . 0 0 "[ . 1 ]" 3
1130 1 55 ASN HA 1 58 THR MG 4.000 . 4.500 3.760 3.635 3.886 . 0 0 "[ . 1 ]" 3
1131 1 55 ASN HB3 1 56 ASP H 3.100 . 3.600 2.893 2.755 3.037 . 0 0 "[ . 1 ]" 3
1132 1 55 ASN HB3 1 57 LYS H 4.500 . 5.000 4.806 4.730 4.891 . 0 0 "[ . 1 ]" 3
1133 1 55 ASN HB3 1 58 THR HB 4.500 . 5.000 4.654 4.548 4.888 . 0 0 "[ . 1 ]" 3
1134 1 55 ASN QB 1 58 THR H 4.500 . 5.000 4.662 4.450 4.756 . 0 0 "[ . 1 ]" 3
1135 1 55 ASN QB 1 58 THR MG 4.500 . 5.000 4.936 4.806 5.062 0.062 5 0 "[ . 1 ]" 3
1136 1 55 ASN QB 1 59 GLU H 4.500 . 5.000 4.693 4.521 4.853 . 0 0 "[ . 1 ]" 3
1137 1 55 ASN HB2 1 56 ASP H 3.100 . 3.600 3.370 3.284 3.558 . 0 0 "[ . 1 ]" 3
1138 1 55 ASN HB2 1 57 LYS H 4.500 . 5.000 5.139 5.109 5.170 0.170 11 0 "[ . 1 ]" 3
1139 1 55 ASN HB2 1 58 THR HB 4.500 . 5.000 5.103 5.064 5.162 0.162 12 0 "[ . 1 ]" 3
1140 1 55 ASN QD 1 56 ASP H 4.500 . 5.000 4.899 4.645 5.065 0.065 7 0 "[ . 1 ]" 3
1141 1 56 ASP H 1 56 ASP HA 2.500 . 3.000 2.890 2.859 2.920 . 0 0 "[ . 1 ]" 3
1142 1 56 ASP H 1 56 ASP HB3 2.800 . 3.300 2.837 2.628 3.094 . 0 0 "[ . 1 ]" 3
1143 1 56 ASP H 1 56 ASP HB2 2.800 . 3.300 2.129 1.978 2.287 . 0 0 "[ . 1 ]" 3
1144 1 56 ASP H 1 57 LYS H 3.500 . 4.000 2.543 2.425 2.634 . 0 0 "[ . 1 ]" 3
1145 1 56 ASP HA 1 56 ASP HB3 2.700 . 3.200 2.990 2.929 3.030 . 0 0 "[ . 1 ]" 3
1146 1 56 ASP HA 1 56 ASP HB2 2.700 . 3.200 2.687 2.576 2.803 . 0 0 "[ . 1 ]" 3
1147 1 56 ASP HA 1 57 LYS H 2.900 . 3.400 3.467 3.455 3.494 0.094 5 0 "[ . 1 ]" 3
1148 1 56 ASP HA 1 59 GLU H 2.700 . 3.200 3.201 3.157 3.221 0.021 3 0 "[ . 1 ]" 3
1149 1 56 ASP HA 1 59 GLU HA 4.500 . 5.000 5.150 5.105 5.173 0.173 5 0 "[ . 1 ]" 3
1150 1 56 ASP HA 1 59 GLU QB 4.100 . 4.600 2.255 2.198 2.337 . 0 0 "[ . 1 ]" 3
1151 1 56 ASP HA 1 59 GLU HG3 4.500 . 5.000 3.847 2.933 5.019 0.019 8 0 "[ . 1 ]" 3
1152 1 56 ASP HA 1 59 GLU HG2 4.500 . 5.000 4.582 3.839 5.021 0.021 12 0 "[ . 1 ]" 3
1153 1 56 ASP HA 1 60 GLU H 3.300 . 3.800 3.793 3.577 3.861 0.061 4 0 "[ . 1 ]" 3
1154 1 56 ASP HB3 1 57 LYS H 3.400 . 3.900 3.091 2.959 3.212 . 0 0 "[ . 1 ]" 3
1155 1 56 ASP HB2 1 57 LYS H 3.400 . 3.900 3.751 3.422 3.912 0.012 7 0 "[ . 1 ]" 3
1156 1 56 ASP QB 1 58 THR H 4.500 . 5.000 4.643 4.486 4.735 . 0 0 "[ . 1 ]" 3
1157 1 57 LYS H 1 57 LYS HA 3.000 . 3.500 2.938 2.928 2.947 . 0 0 "[ . 1 ]" 3
1158 1 57 LYS H 1 57 LYS QG 4.500 . 5.000 2.864 2.006 3.958 . 0 0 "[ . 1 ]" 3
1159 1 57 LYS H 1 57 LYS QD 4.500 . 5.000 3.818 3.098 4.601 . 0 0 "[ . 1 ]" 3
1160 1 57 LYS H 1 58 THR H 3.200 . 3.700 2.267 2.224 2.326 . 0 0 "[ . 1 ]" 3
1161 1 57 LYS H 1 58 THR MG 4.500 . 5.000 5.369 5.276 5.474 0.474 5 0 "[ . 1 ]" 3
1162 1 57 LYS HA 1 57 LYS QD 2.400 . 2.900 2.585 1.921 4.052 1.152 12 3 "[ . - +*]" 3
1163 1 57 LYS HA 1 60 GLU QG 3.500 . 4.000 3.677 3.301 4.022 0.022 8 0 "[ . 1 ]" 3
1164 1 57 LYS QB 1 61 ASN QD 3.500 2.100 4.000 3.610 3.341 3.718 . 0 0 "[ . 1 ]" 3
1165 1 57 LYS QB 1 58 THR HA 4.500 . 5.000 4.061 3.916 4.201 . 0 0 "[ . 1 ]" 3
1166 1 57 LYS QB 1 58 THR H 3.000 . 3.500 2.655 2.449 2.764 . 0 0 "[ . 1 ]" 3
1167 1 57 LYS QD 1 58 THR H 4.500 . 5.000 4.693 3.483 5.104 0.104 10 0 "[ . 1 ]" 3
1168 1 57 LYS QD 1 61 ASN QD 4.500 . 5.000 4.268 1.782 5.297 0.297 4 0 "[ . 1 ]" 3
1169 1 58 THR H 1 58 THR HA 3.000 . 3.500 2.911 2.885 2.938 . 0 0 "[ . 1 ]" 3
1170 1 58 THR H 1 58 THR HB 3.500 . 4.000 2.153 2.017 2.657 . 0 0 "[ . 1 ]" 3
1171 1 58 THR H 1 58 THR MG 4.500 . 5.000 3.599 3.523 3.659 . 0 0 "[ . 1 ]" 3
1172 1 58 THR H 1 59 GLU H 3.000 . 3.500 2.451 2.336 2.540 . 0 0 "[ . 1 ]" 3
1173 1 58 THR H 1 60 GLU H 3.100 . 3.600 3.708 3.691 3.738 0.138 13 0 "[ . 1 ]" 3
1174 1 58 THR H 1 61 ASN H 4.500 . 5.000 4.472 4.393 4.520 . 0 0 "[ . 1 ]" 3
1175 1 58 THR HA 1 58 THR HB 2.800 . 3.300 3.027 3.008 3.038 . 0 0 "[ . 1 ]" 3
1176 1 58 THR HA 1 59 GLU H 3.400 . 3.900 3.571 3.556 3.580 . 0 0 "[ . 1 ]" 3
1177 1 58 THR HA 1 60 GLU H 4.000 . 4.500 4.226 4.176 4.295 . 0 0 "[ . 1 ]" 3
1178 1 58 THR HA 1 61 ASN H 3.300 . 3.800 3.378 3.314 3.485 . 0 0 "[ . 1 ]" 3
1179 1 58 THR HA 1 61 ASN HB3 2.900 . 3.400 3.487 3.440 3.607 0.207 11 0 "[ . 1 ]" 3
1180 1 58 THR HA 1 61 ASN HB2 2.900 . 3.400 2.331 2.268 2.404 . 0 0 "[ . 1 ]" 3
1181 1 58 THR HA 1 62 ASN H 3.900 . 4.400 4.223 4.107 4.307 . 0 0 "[ . 1 ]" 3
1182 1 58 THR HB 1 59 GLU H 3.200 . 3.700 2.544 2.464 2.624 . 0 0 "[ . 1 ]" 3
1183 1 58 THR HB 1 60 GLU H 4.300 . 4.800 4.773 4.717 4.815 0.015 7 0 "[ . 1 ]" 3
1184 1 58 THR MG 1 59 GLU H 4.500 . 5.000 3.118 2.771 3.866 . 0 0 "[ . 1 ]" 3
1185 1 58 THR MG 1 61 ASN H 4.500 . 5.000 4.784 4.669 4.962 . 0 0 "[ . 1 ]" 3
1186 1 58 THR MG 1 62 ASN H 4.500 . 5.000 4.351 4.186 4.684 . 0 0 "[ . 1 ]" 3
1187 1 58 THR MG 1 62 ASN HD21 3.500 . 4.000 2.521 2.179 2.929 . 0 0 "[ . 1 ]" 3
1188 1 58 THR MG 1 62 ASN HD22 3.500 . 4.000 2.830 2.535 3.285 . 0 0 "[ . 1 ]" 3
1189 1 59 GLU H 1 59 GLU HA 2.800 . 3.300 2.871 2.856 2.887 . 0 0 "[ . 1 ]" 3
1190 1 59 GLU H 1 59 GLU QB 2.600 . 3.100 2.173 1.935 2.299 . 0 0 "[ . 1 ]" 3
1191 1 59 GLU H 1 59 GLU HG3 4.500 . 5.000 3.176 2.225 4.516 . 0 0 "[ . 1 ]" 3
1192 1 59 GLU H 1 59 GLU HG2 4.500 . 5.000 3.493 2.336 4.441 . 0 0 "[ . 1 ]" 3
1193 1 59 GLU H 1 62 ASN QD 4.500 . 5.000 4.434 4.262 4.530 . 0 0 "[ . 1 ]" 3
1194 1 59 GLU HA 1 60 GLU H 3.000 . 3.500 3.529 3.525 3.537 0.037 11 0 "[ . 1 ]" 3
1195 1 59 GLU HA 1 62 ASN H 3.000 . 3.500 3.493 3.442 3.530 0.030 10 0 "[ . 1 ]" 3
1196 1 59 GLU HA 1 62 ASN HB3 3.000 . 3.500 3.639 3.609 3.672 0.172 12 0 "[ . 1 ]" 3
1197 1 59 GLU HA 1 62 ASN HB2 3.000 . 3.500 2.359 2.335 2.382 . 0 0 "[ . 1 ]" 3
1198 1 59 GLU HA 1 62 ASN HD21 4.000 . 4.500 3.377 3.202 3.626 . 0 0 "[ . 1 ]" 3
1199 1 59 GLU HA 1 62 ASN HD22 4.000 . 4.500 4.475 4.377 4.526 0.026 11 0 "[ . 1 ]" 3
1200 1 59 GLU HG3 1 60 GLU H 4.500 . 5.000 4.633 3.975 5.008 0.008 13 0 "[ . 1 ]" 3
1201 1 59 GLU HG2 1 60 GLU H 4.500 . 5.000 4.604 3.889 5.030 0.030 5 0 "[ . 1 ]" 3
1202 1 60 GLU H 1 60 GLU HA 2.700 . 3.200 2.904 2.897 2.915 . 0 0 "[ . 1 ]" 3
1203 1 60 GLU H 1 60 GLU HB3 3.000 . 3.500 3.355 3.286 3.469 . 0 0 "[ . 1 ]" 3
1204 1 60 GLU H 1 60 GLU HB2 3.000 . 3.500 2.001 1.958 2.127 . 0 0 "[ . 1 ]" 3
1205 1 60 GLU H 1 60 GLU HG3 4.000 . 4.500 3.533 3.132 4.064 . 0 0 "[ . 1 ]" 3
1206 1 60 GLU H 1 60 GLU HG2 4.000 . 4.500 3.539 2.810 4.269 . 0 0 "[ . 1 ]" 3
1207 1 60 GLU H 1 61 ASN H 3.200 . 3.700 2.607 2.572 2.628 . 0 0 "[ . 1 ]" 3
1208 1 60 GLU H 1 61 ASN QD 4.500 . 5.000 5.134 4.366 5.509 0.509 5 1 "[ + 1 ]" 3
1209 1 60 GLU H 1 62 ASN QD 4.500 . 5.000 4.958 4.762 5.042 0.042 1 0 "[ . 1 ]" 3
1210 1 60 GLU HA 1 61 ASN H 3.200 . 3.700 3.574 3.569 3.580 . 0 0 "[ . 1 ]" 3
1211 1 60 GLU HA 1 62 ASN H 3.600 . 4.100 3.885 3.812 3.917 . 0 0 "[ . 1 ]" 3
1212 1 60 GLU HA 1 63 ARG QG 4.500 . 5.000 4.692 4.354 4.875 . 0 0 "[ . 1 ]" 3
1213 1 60 GLU HB3 1 61 ASN H 3.500 . 4.000 2.868 2.758 3.031 . 0 0 "[ . 1 ]" 3
1214 1 60 GLU HB3 1 62 ASN H 4.200 . 4.700 4.802 4.741 4.906 0.206 11 0 "[ . 1 ]" 3
1215 1 60 GLU QB 1 63 ARG H 4.000 2.800 4.500 4.582 4.527 4.610 0.110 10 0 "[ . 1 ]" 3
1216 1 60 GLU HB2 1 61 ASN H 3.500 . 4.000 2.637 2.378 2.762 . 0 0 "[ . 1 ]" 3
1217 1 60 GLU QB 1 61 ASN QD 3.500 . 4.000 4.202 3.317 4.638 0.638 5 5 "[ *+-** 1 ]" 3
1218 1 60 GLU HB2 1 62 ASN H 4.200 . 4.700 4.705 4.567 4.776 0.076 1 0 "[ . 1 ]" 3
1219 1 61 ASN H 1 61 ASN HB3 3.300 . 3.800 3.322 3.264 3.406 . 0 0 "[ . 1 ]" 3
1220 1 61 ASN H 1 61 ASN HB2 3.300 . 3.800 1.967 1.939 2.029 . 0 0 "[ . 1 ]" 3
1221 1 61 ASN H 1 61 ASN HD21 4.500 . 5.000 3.311 2.508 3.720 . 0 0 "[ . 1 ]" 3
1222 1 61 ASN H 1 61 ASN HD22 4.500 . 5.000 4.522 3.967 4.780 . 0 0 "[ . 1 ]" 3
1223 1 61 ASN H 1 62 ASN H 3.400 . 3.900 2.668 2.640 2.684 . 0 0 "[ . 1 ]" 3
1224 1 61 ASN H 1 62 ASN QB 4.500 . 5.000 4.255 4.210 4.317 . 0 0 "[ . 1 ]" 3
1225 1 61 ASN HA 1 61 ASN HB3 2.800 . 3.300 2.806 2.737 2.849 . 0 0 "[ . 1 ]" 3
1226 1 61 ASN HA 1 61 ASN HB2 2.800 . 3.300 2.922 2.887 2.971 . 0 0 "[ . 1 ]" 3
1227 1 61 ASN HA 1 62 ASN H 3.300 . 3.800 3.493 3.484 3.495 . 0 0 "[ . 1 ]" 3
1228 1 61 ASN HB3 1 62 ASN H 3.900 . 4.400 3.284 3.198 3.412 . 0 0 "[ . 1 ]" 3
1229 1 61 ASN HB2 1 62 ASN H 3.900 . 4.400 3.111 2.937 3.203 . 0 0 "[ . 1 ]" 3
1230 1 61 ASN QD 1 62 ASN QD 4.500 . 5.000 5.350 5.106 5.529 0.529 3 2 "[- + . 1 ]" 3
1231 1 62 ASN H 1 62 ASN HA 2.800 . 3.300 2.914 2.903 2.932 . 0 0 "[ . 1 ]" 3
1232 1 62 ASN H 1 62 ASN HB3 3.000 . 3.500 3.329 3.302 3.383 . 0 0 "[ . 1 ]" 3
1233 1 62 ASN H 1 62 ASN HB2 3.000 . 3.500 1.969 1.946 2.011 . 0 0 "[ . 1 ]" 3
1234 1 62 ASN H 1 62 ASN QD 4.500 . 5.000 2.694 2.423 2.843 . 0 0 "[ . 1 ]" 3
1235 1 62 ASN H 1 63 ARG H 2.900 . 3.400 2.470 2.425 2.502 . 0 0 "[ . 1 ]" 3
1236 1 62 ASN HA 1 62 ASN HB3 2.700 . 3.200 2.753 2.707 2.776 . 0 0 "[ . 1 ]" 3
1237 1 62 ASN HA 1 62 ASN HB2 2.700 . 3.200 2.957 2.944 2.984 . 0 0 "[ . 1 ]" 3
1238 1 62 ASN HA 1 62 ASN HD21 4.500 . 5.000 3.285 3.087 3.410 . 0 0 "[ . 1 ]" 3
1239 1 62 ASN HA 1 62 ASN HD22 4.500 . 5.000 3.799 3.725 3.873 . 0 0 "[ . 1 ]" 3
1240 1 62 ASN HA 1 63 ARG H 3.100 . 3.600 3.553 3.540 3.568 . 0 0 "[ . 1 ]" 3
1241 1 62 ASN HA 1 65 LYS QB 2.400 . 2.900 2.860 2.594 2.957 0.057 10 0 "[ . 1 ]" 3
1242 1 62 ASN HA 1 65 LYS HD3 4.500 . 5.000 3.669 2.296 4.549 . 0 0 "[ . 1 ]" 3
1243 1 62 ASN HA 1 65 LYS HD2 4.500 . 5.000 3.803 3.084 4.354 . 0 0 "[ . 1 ]" 3
1244 1 62 ASN HA 1 66 ALA H 4.100 . 4.600 4.593 4.434 4.664 0.064 12 0 "[ . 1 ]" 3
1245 1 62 ASN HB3 1 62 ASN HD22 4.000 . 4.500 4.097 4.082 4.118 . 0 0 "[ . 1 ]" 3
1246 1 62 ASN HB2 1 62 ASN HD22 4.000 . 4.500 3.576 3.551 3.623 . 0 0 "[ . 1 ]" 3
1247 1 62 ASN HB3 1 63 ARG H 3.300 . 3.800 3.184 3.090 3.273 . 0 0 "[ . 1 ]" 3
1248 1 62 ASN HB2 1 63 ARG H 3.300 . 3.800 2.865 2.709 2.953 . 0 0 "[ . 1 ]" 3
1249 1 63 ARG H 1 63 ARG HA 2.500 . 3.000 2.926 2.894 2.941 . 0 0 "[ . 1 ]" 3
1250 1 63 ARG H 1 63 ARG HB3 4.000 . 4.500 2.615 2.388 2.793 . 0 0 "[ . 1 ]" 3
1251 1 63 ARG H 1 63 ARG HB2 2.900 . 3.400 2.316 2.158 2.481 . 0 0 "[ . 1 ]" 3
1252 1 63 ARG H 1 63 ARG QG 4.500 . 5.000 3.922 3.834 3.979 . 0 0 "[ . 1 ]" 3
1253 1 63 ARG H 1 63 ARG QD 4.500 . 5.000 4.206 3.868 4.375 . 0 0 "[ . 1 ]" 3
1254 1 63 ARG H 1 64 LEU H 3.100 . 3.600 2.643 2.548 2.796 . 0 0 "[ . 1 ]" 3
1255 1 63 ARG H 1 65 LYS H 3.700 . 4.200 3.781 3.662 4.011 . 0 0 "[ . 1 ]" 3
1256 1 63 ARG HA 1 64 LEU H 3.400 . 3.900 3.589 3.583 3.599 . 0 0 "[ . 1 ]" 3
1257 1 63 ARG HA 1 66 ALA H 3.300 . 3.800 3.183 3.072 3.406 . 0 0 "[ . 1 ]" 3
1258 1 63 ARG HA 1 66 ALA MB 4.500 . 5.000 2.707 2.486 3.013 . 0 0 "[ . 1 ]" 3
1259 1 63 ARG QB 1 64 LEU H 3.000 . 3.500 2.103 1.974 2.239 . 0 0 "[ . 1 ]" 3
1260 1 63 ARG QB 1 64 LEU MD1 4.500 . 5.000 4.690 3.409 5.238 0.238 9 0 "[ . 1 ]" 3
1261 1 63 ARG QB 1 64 LEU MD2 4.500 . 5.000 5.142 4.162 5.616 0.616 5 2 "[ + - ]" 3
1262 1 63 ARG QB 1 65 LYS H 4.000 2.900 4.500 4.308 4.171 4.480 . 0 0 "[ . 1 ]" 3
1263 1 63 ARG QB 1 66 ALA H 4.000 . 4.500 4.689 4.648 4.778 0.278 7 0 "[ . 1 ]" 3
1264 1 63 ARG QG 1 64 LEU H 4.500 . 5.000 3.573 3.108 3.935 . 0 0 "[ . 1 ]" 3
1265 1 63 ARG QG 1 65 LYS H 4.500 . 5.000 5.051 5.000 5.083 0.083 11 0 "[ . 1 ]" 3
1266 1 63 ARG QG 1 67 LEU H 4.500 . 5.000 4.259 3.386 4.802 . 0 0 "[ . 1 ]" 3
1267 1 64 LEU H 1 64 LEU HB3 3.600 . 4.100 2.963 2.387 3.538 . 0 0 "[ . 1 ]" 3
1268 1 64 LEU H 1 64 LEU HB2 3.500 . 4.000 2.255 1.954 2.477 . 0 0 "[ . 1 ]" 3
1269 1 64 LEU H 1 64 LEU MD1 4.500 . 5.000 3.691 2.532 4.146 . 0 0 "[ . 1 ]" 3
1270 1 64 LEU H 1 64 LEU MD2 4.500 . 5.000 3.977 3.462 4.231 . 0 0 "[ . 1 ]" 3
1271 1 64 LEU H 1 65 LYS H 3.000 . 3.500 2.809 2.757 2.876 . 0 0 "[ . 1 ]" 3
1272 1 64 LEU H 1 66 ALA H 4.500 . 5.000 4.225 4.112 4.294 . 0 0 "[ . 1 ]" 3
1273 1 64 LEU HA 1 64 LEU MD1 4.500 . 5.000 3.458 2.182 3.844 . 0 0 "[ . 1 ]" 3
1274 1 64 LEU HA 1 64 LEU MD2 4.500 . 5.000 2.835 2.005 3.896 . 0 0 "[ . 1 ]" 3
1275 1 64 LEU HA 1 65 LYS H 3.100 . 3.600 3.527 3.501 3.569 . 0 0 "[ . 1 ]" 3
1276 1 64 LEU MD1 1 65 LYS H 4.500 . 5.000 4.661 4.003 4.909 . 0 0 "[ . 1 ]" 3
1277 1 64 LEU QD 1 65 LYS QE 4.500 . 5.000 6.583 5.523 7.540 2.540 3 13 [**+*****-****] 3
1278 1 64 LEU QD 1 66 ALA H 4.500 . 5.000 5.067 4.550 5.391 0.391 10 0 "[ . 1 ]" 3
1279 1 64 LEU QD 1 67 LEU H 4.500 . 5.000 4.586 3.931 5.022 0.022 12 0 "[ . 1 ]" 3
1280 1 64 LEU MD2 1 65 LYS H 4.500 . 5.000 3.960 2.793 4.758 . 0 0 "[ . 1 ]" 3
1281 1 65 LYS H 1 65 LYS HA 2.400 . 2.900 2.898 2.824 2.921 0.021 6 0 "[ . 1 ]" 3
1282 1 65 LYS H 1 65 LYS QB 2.500 . 3.000 2.141 2.019 2.185 . 0 0 "[ . 1 ]" 3
1283 1 65 LYS H 1 65 LYS HD3 4.500 . 5.000 4.691 3.786 5.042 0.042 12 0 "[ . 1 ]" 3
1284 1 65 LYS H 1 65 LYS HD2 4.500 . 5.000 4.693 4.240 4.999 . 0 0 "[ . 1 ]" 3
1285 1 65 LYS H 1 66 ALA H 3.100 . 3.600 2.526 2.440 2.739 . 0 0 "[ . 1 ]" 3
1286 1 65 LYS HA 1 65 LYS QB 2.500 . 3.000 2.392 2.335 2.523 . 0 0 "[ . 1 ]" 3
1287 1 65 LYS HA 1 65 LYS QD 4.500 . 5.000 4.014 3.783 4.105 . 0 0 "[ . 1 ]" 3
1288 1 65 LYS HA 1 66 ALA H 3.400 . 3.900 3.555 3.543 3.569 . 0 0 "[ . 1 ]" 3
1289 1 65 LYS HA 1 68 LEU H 4.500 . 5.000 4.060 3.805 4.648 . 0 0 "[ . 1 ]" 3
1290 1 65 LYS HA 1 69 LEU H 4.500 . 5.000 4.111 3.820 4.336 . 0 0 "[ . 1 ]" 3
1291 1 65 LYS QB 1 66 ALA H 2.700 . 3.200 2.602 2.510 2.780 . 0 0 "[ . 1 ]" 3
1292 1 65 LYS QD 1 66 ALA H 4.500 . 5.000 4.354 3.481 5.008 0.008 12 0 "[ . 1 ]" 3
1293 1 66 ALA H 1 66 ALA HA 2.500 . 3.000 2.972 2.953 2.991 . 0 0 "[ . 1 ]" 3
1294 1 66 ALA H 1 66 ALA MB 1.900 . 2.400 2.094 1.987 2.288 . 0 0 "[ . 1 ]" 3
1295 1 66 ALA H 1 67 LEU H 2.800 . 3.300 2.419 2.288 2.592 . 0 0 "[ . 1 ]" 3
1296 1 66 ALA HA 1 67 LEU H 4.500 . 5.000 3.368 3.151 3.596 . 0 0 "[ . 1 ]" 3
1297 1 66 ALA HA 1 69 LEU H 3.000 . 3.500 3.586 3.539 3.683 0.183 7 0 "[ . 1 ]" 3
1298 1 66 ALA HA 1 70 GLU H 4.000 . 4.500 3.929 3.102 4.556 0.056 12 0 "[ . 1 ]" 3
1299 1 66 ALA MB 1 67 LEU H 4.500 . 5.000 3.147 2.319 3.456 . 0 0 "[ . 1 ]" 3
1300 1 66 ALA MB 1 68 LEU H 4.500 . 5.000 4.678 4.237 4.922 . 0 0 "[ . 1 ]" 3
1301 1 66 ALA MB 1 69 LEU H 4.500 . 5.000 4.875 4.726 4.953 . 0 0 "[ . 1 ]" 3
1302 1 67 LEU H 1 67 LEU HB3 3.500 . 4.000 2.794 2.468 3.186 . 0 0 "[ . 1 ]" 3
1303 1 67 LEU H 1 67 LEU HB2 3.500 . 4.000 2.308 2.043 2.612 . 0 0 "[ . 1 ]" 3
1304 1 67 LEU H 1 67 LEU QD 4.500 . 5.000 3.580 3.106 3.797 . 0 0 "[ . 1 ]" 3
1305 1 67 LEU H 1 68 LEU H 2.500 . 3.000 2.277 1.993 2.875 . 0 0 "[ . 1 ]" 3
1306 1 67 LEU H 1 68 LEU QB 4.500 . 5.000 4.356 4.017 5.157 0.157 7 0 "[ . 1 ]" 3
1307 1 67 LEU H 1 69 LEU H 4.500 . 5.000 3.704 3.146 4.621 . 0 0 "[ . 1 ]" 3
1308 1 67 LEU HA 1 67 LEU QB 2.100 . 2.600 2.489 2.408 2.551 . 0 0 "[ . 1 ]" 3
1309 1 67 LEU HA 1 67 LEU HG 2.200 . 2.700 2.333 2.045 2.690 . 0 0 "[ . 1 ]" 3
1310 1 67 LEU HA 1 68 LEU H 4.000 . 4.500 3.505 3.469 3.568 . 0 0 "[ . 1 ]" 3
1311 1 67 LEU HB3 1 68 LEU H 3.400 . 3.900 2.948 2.508 3.215 . 0 0 "[ . 1 ]" 3
1312 1 67 LEU HB2 1 68 LEU H 3.400 . 3.900 3.676 3.258 3.912 0.012 8 0 "[ . 1 ]" 3
1313 1 67 LEU QD 1 68 LEU H 4.500 . 5.000 4.031 3.613 4.266 . 0 0 "[ . 1 ]" 3
1314 1 68 LEU H 1 68 LEU HA 2.500 . 3.000 2.975 2.913 2.998 . 0 0 "[ . 1 ]" 3
1315 1 68 LEU H 1 68 LEU HB3 3.000 . 3.500 3.538 2.898 3.674 0.174 10 0 "[ . 1 ]" 3
1316 1 68 LEU H 1 68 LEU HB2 3.000 . 3.500 2.612 2.234 3.905 0.405 7 0 "[ . 1 ]" 3
1317 1 68 LEU H 1 68 LEU HG 2.500 . 3.000 2.401 1.907 2.766 . 0 0 "[ . 1 ]" 3
1318 1 68 LEU H 1 68 LEU QD 4.500 . 5.000 3.180 2.927 3.379 . 0 0 "[ . 1 ]" 3
1319 1 68 LEU H 1 69 LEU H 2.800 . 3.300 2.141 1.929 2.546 . 0 0 "[ . 1 ]" 3
1320 1 68 LEU HA 1 68 LEU QB 2.600 . 3.100 2.354 2.192 2.436 . 0 0 "[ . 1 ]" 3
1321 1 68 LEU HA 1 68 LEU HG 3.000 . 3.500 3.069 2.773 3.579 0.079 9 0 "[ . 1 ]" 3
1322 1 68 LEU HA 1 69 LEU H 3.200 . 3.700 3.495 3.050 3.594 . 0 0 "[ . 1 ]" 3
1323 1 68 LEU HA 1 70 GLU H 3.400 . 3.900 4.160 3.935 6.199 2.299 12 1 "[ . 1 + ]" 3
1324 1 68 LEU HA 1 71 ARG H 4.000 . 4.500 3.729 2.882 7.979 3.479 12 1 "[ . 1 + ]" 3
1325 1 68 LEU QB 1 69 LEU H 3.300 . 3.800 2.821 2.214 3.998 0.198 7 0 "[ . 1 ]" 3
1326 1 68 LEU QD 1 69 LEU H 4.500 . 5.000 3.953 2.794 4.230 . 0 0 "[ . 1 ]" 3
1327 1 68 LEU QD 1 70 GLU H 4.500 . 5.000 5.021 4.387 5.259 0.259 12 0 "[ . 1 ]" 3
1328 1 69 LEU H 1 69 LEU HA 2.600 . 3.100 2.898 2.825 2.989 . 0 0 "[ . 1 ]" 3
1329 1 69 LEU H 1 69 LEU HB3 3.500 . 4.000 3.082 2.316 3.643 . 0 0 "[ . 1 ]" 3
1330 1 69 LEU H 1 69 LEU HB2 3.500 . 4.000 2.515 2.409 2.946 . 0 0 "[ . 1 ]" 3
1331 1 69 LEU H 1 69 LEU HG 3.500 . 4.000 3.017 1.928 4.318 0.318 9 0 "[ . 1 ]" 3
1332 1 69 LEU H 1 69 LEU MD1 4.500 . 5.000 3.804 3.304 4.673 . 0 0 "[ . 1 ]" 3
1333 1 69 LEU H 1 69 LEU MD2 4.500 . 5.000 3.605 3.182 4.275 . 0 0 "[ . 1 ]" 3
1334 1 69 LEU H 1 70 GLU H 2.600 . 3.100 2.519 1.947 2.940 . 0 0 "[ . 1 ]" 3
1335 1 69 LEU HA 1 69 LEU HB3 2.900 . 3.400 2.707 2.451 3.035 . 0 0 "[ . 1 ]" 3
1336 1 69 LEU HA 1 69 LEU HB2 2.900 . 3.400 2.796 2.423 3.036 . 0 0 "[ . 1 ]" 3
1337 1 69 LEU HA 1 69 LEU MD1 4.500 . 5.000 3.510 2.888 3.848 . 0 0 "[ . 1 ]" 3
1338 1 69 LEU HA 1 69 LEU MD2 4.500 . 5.000 2.688 1.898 3.810 . 0 0 "[ . 1 ]" 3
1339 1 69 LEU HA 1 70 GLU H 2.900 . 3.400 3.484 3.463 3.530 0.130 2 0 "[ . 1 ]" 3
1340 1 69 LEU HA 1 71 ARG H 4.500 . 5.000 4.424 3.892 5.140 0.140 12 0 "[ . 1 ]" 3
1341 1 69 LEU HB3 1 70 GLU H 3.400 . 3.900 3.351 1.931 4.005 0.105 11 0 "[ . 1 ]" 3
1342 1 69 LEU HB2 1 70 GLU H 3.400 . 3.900 3.300 2.478 4.048 0.148 7 0 "[ . 1 ]" 3
1343 1 69 LEU HG 1 70 GLU H 3.500 . 4.000 4.146 4.048 4.489 0.489 12 0 "[ . 1 ]" 3
1344 1 69 LEU MD1 1 70 GLU H 4.500 . 5.000 4.685 3.774 4.949 . 0 0 "[ . 1 ]" 3
1345 1 69 LEU QD 1 71 ARG H 4.500 . 5.000 5.050 3.785 5.490 0.490 13 0 "[ . 1 ]" 3
1346 1 69 LEU MD2 1 70 GLU H 4.500 . 5.000 4.086 3.227 4.650 . 0 0 "[ . 1 ]" 3
1347 1 70 GLU H 1 70 GLU HA 2.400 . 2.900 2.929 2.882 2.977 0.077 7 0 "[ . 1 ]" 3
1348 1 70 GLU H 1 70 GLU HB3 2.700 . 3.200 2.711 2.357 3.244 0.044 12 0 "[ . 1 ]" 3
1349 1 70 GLU H 1 70 GLU HB2 2.700 . 3.200 2.415 2.033 3.235 0.035 12 0 "[ . 1 ]" 3
1350 1 70 GLU H 1 70 GLU HG3 4.500 . 5.000 4.327 3.833 4.635 . 0 0 "[ . 1 ]" 3
1351 1 70 GLU H 1 70 GLU HG2 4.500 . 5.000 4.501 4.207 4.942 . 0 0 "[ . 1 ]" 3
1352 1 70 GLU H 1 71 ARG H 2.500 . 3.000 2.367 1.926 2.631 . 0 0 "[ . 1 ]" 3
1353 1 70 GLU HA 1 70 GLU HB3 2.600 . 3.100 3.002 2.901 3.036 . 0 0 "[ . 1 ]" 3
1354 1 70 GLU HA 1 70 GLU HB2 2.600 . 3.100 2.610 2.451 2.817 . 0 0 "[ . 1 ]" 3
1355 1 70 GLU HA 1 71 ARG H 3.000 . 3.500 3.527 3.497 3.572 0.072 13 0 "[ . 1 ]" 3
1356 1 70 GLU HB3 1 71 ARG H 3.400 . 3.900 2.788 2.405 3.020 . 0 0 "[ . 1 ]" 3
1357 1 70 GLU HB2 1 71 ARG H 3.400 . 3.900 3.727 3.328 3.907 0.007 6 0 "[ . 1 ]" 3
1358 1 70 GLU QG 1 71 ARG H 4.500 . 5.000 4.081 3.384 4.499 . 0 0 "[ . 1 ]" 3
1359 1 71 ARG H 1 71 ARG HA 2.500 . 3.000 2.970 2.905 3.003 0.003 11 0 "[ . 1 ]" 3
1360 1 71 ARG H 1 71 ARG HB3 4.000 . 4.500 3.182 2.631 3.693 . 0 0 "[ . 1 ]" 3
1361 1 71 ARG H 1 71 ARG HB2 4.000 . 4.500 2.576 2.055 4.001 . 0 0 "[ . 1 ]" 3
1362 1 71 ARG H 1 71 ARG QG 4.500 . 5.000 3.561 2.268 4.190 . 0 0 "[ . 1 ]" 3
1363 1 71 ARG H 1 71 ARG QD 4.500 . 5.000 4.244 3.536 4.805 . 0 0 "[ . 1 ]" 3
1364 1 71 ARG HA 1 71 ARG QD 4.500 . 5.000 3.615 2.792 4.017 . 0 0 "[ . 1 ]" 3
1365 1 39 LYS HA 2 42 VAL H 4.500 . 5.000 4.614 4.085 5.034 0.034 13 0 "[ . 1 ]" 3
1366 1 42 VAL H 2 39 LYS HA 4.500 . 5.000 4.611 4.061 5.029 0.029 13 0 "[ . 1 ]" 3
1367 1 39 LYS HA 2 43 SER HA 3.500 . 4.000 2.053 1.883 2.563 . 0 0 "[ . 1 ]" 3
1368 1 43 SER HA 2 39 LYS HA 3.500 . 4.000 2.045 1.870 2.511 . 0 0 "[ . 1 ]" 3
1369 1 39 LYS HA 2 43 SER H 4.500 . 5.000 4.498 4.113 4.948 . 0 0 "[ . 1 ]" 3
1370 1 43 SER H 2 39 LYS HA 4.500 . 5.000 4.487 4.086 4.976 . 0 0 "[ . 1 ]" 3
1371 1 39 LYS HA 2 44 THR H 4.500 . 5.000 2.816 1.977 3.287 . 0 0 "[ . 1 ]" 3
1372 1 44 THR H 2 39 LYS HA 4.500 . 5.000 2.816 1.968 3.313 . 0 0 "[ . 1 ]" 3
1373 1 40 ILE H 2 40 ILE QG 6.500 . 7.000 5.022 4.634 5.610 . 0 0 "[ . 1 ]" 3
1374 1 40 ILE QG 2 40 ILE H 6.500 . 7.000 5.020 4.628 5.615 . 0 0 "[ . 1 ]" 3
1375 1 40 ILE HA 2 44 THR HA 4.000 . 4.500 3.865 3.517 4.492 . 0 0 "[ . 1 ]" 3
1376 1 44 THR HA 2 40 ILE HA 4.000 . 4.500 3.861 3.497 4.505 0.005 12 0 "[ . 1 ]" 3
1377 1 40 ILE HA 2 44 THR MG 4.500 . 5.000 4.251 4.063 4.474 . 0 0 "[ . 1 ]" 3
1378 1 44 THR MG 2 40 ILE HA 4.500 . 5.000 4.245 4.003 4.468 . 0 0 "[ . 1 ]" 3
1379 1 40 ILE HB 2 41 VAL H 6.500 . 7.000 7.104 7.028 7.148 0.148 9 0 "[ . 1 ]" 3
1380 1 41 VAL H 2 40 ILE HB 6.500 . 7.000 7.102 7.034 7.145 0.145 9 0 "[ . 1 ]" 3
1381 1 40 ILE HB 2 42 VAL H 5.500 . 6.000 4.162 3.696 4.475 . 0 0 "[ . 1 ]" 3
1382 1 42 VAL H 2 40 ILE HB 5.500 . 6.000 4.160 3.689 4.445 . 0 0 "[ . 1 ]" 3
1383 1 40 ILE H 2 44 THR H 4.500 . 5.000 2.471 2.063 2.958 . 0 0 "[ . 1 ]" 3
1384 1 44 THR H 2 40 ILE H 4.500 . 5.000 2.476 2.046 2.977 . 0 0 "[ . 1 ]" 3
1385 1 40 ILE HB 2 44 THR H 6.500 . 7.000 2.807 2.524 3.528 . 0 0 "[ . 1 ]" 3
1386 1 44 THR H 2 40 ILE HB 6.500 . 7.000 2.806 2.539 3.479 . 0 0 "[ . 1 ]" 3
1387 1 40 ILE HB 2 44 THR MG 3.500 . 4.000 3.872 3.453 3.997 . 0 0 "[ . 1 ]" 3
1388 1 44 THR MG 2 40 ILE HB 3.500 . 4.000 3.872 3.457 4.000 . 8 0 "[ . 1 ]" 3
1389 1 40 ILE H 2 44 THR MG 4.500 . 5.000 3.991 3.370 4.490 . 0 0 "[ . 1 ]" 3
1390 1 44 THR MG 2 40 ILE H 4.500 . 5.000 3.998 3.400 4.509 . 0 0 "[ . 1 ]" 3
1391 1 41 VAL MG1 2 41 VAL H 6.500 . 7.000 5.634 5.232 6.651 . 0 0 "[ . 1 ]" 3
1392 1 41 VAL H 2 41 VAL MG1 6.500 . 7.000 5.637 5.237 6.646 . 0 0 "[ . 1 ]" 3
1393 1 41 VAL MG2 2 41 VAL H 6.500 . 7.000 5.431 4.936 5.642 . 0 0 "[ . 1 ]" 3
1394 1 41 VAL H 2 41 VAL MG2 6.500 . 7.000 5.426 4.926 5.640 . 0 0 "[ . 1 ]" 3
1395 1 41 VAL MG1 2 42 VAL H 4.500 . 5.000 5.144 5.093 5.172 0.172 5 0 "[ . 1 ]" 3
1396 1 42 VAL H 2 41 VAL MG1 4.500 . 5.000 5.146 5.108 5.168 0.168 5 0 "[ . 1 ]" 3
1397 1 41 VAL QG 2 43 SER H 6.500 . 7.000 6.141 5.664 6.935 . 0 0 "[ . 1 ]" 3
1398 1 43 SER H 2 41 VAL QG 6.500 . 7.000 6.135 5.669 6.937 . 0 0 "[ . 1 ]" 3
1399 1 41 VAL MG2 2 42 VAL H 4.500 . 5.000 4.145 3.778 5.105 0.105 12 0 "[ . 1 ]" 3
1400 1 42 VAL H 2 41 VAL MG2 4.500 . 5.000 4.139 3.768 5.104 0.104 12 0 "[ . 1 ]" 3
1401 1 41 VAL QG 2 44 THR H 6.500 . 7.000 5.663 5.249 6.268 . 0 0 "[ . 1 ]" 3
1402 1 44 THR H 2 41 VAL QG 6.500 . 7.000 5.660 5.244 6.283 . 0 0 "[ . 1 ]" 3
1403 1 46 TYR H 2 47 LEU QD 6.500 . 7.000 6.012 4.397 6.815 . 0 0 "[ . 1 ]" 3
1404 1 47 LEU QD 2 46 TYR H 6.500 . 7.000 6.011 4.389 6.840 . 0 0 "[ . 1 ]" 3
1405 1 47 LEU QD 2 48 GLN H 6.500 . 7.000 5.296 4.315 5.733 . 0 0 "[ . 1 ]" 3
1406 1 48 GLN H 2 47 LEU QD 6.500 . 7.000 5.294 4.278 5.733 . 0 0 "[ . 1 ]" 3
1407 1 50 LEU HG 2 50 LEU H 6.500 . 7.000 6.278 5.318 7.088 0.088 5 0 "[ . 1 ]" 3
1408 1 50 LEU H 2 50 LEU HG 6.500 . 7.000 6.275 5.302 7.075 0.075 5 0 "[ . 1 ]" 3
1409 1 50 LEU QD 2 50 LEU H 6.500 . 7.000 4.493 3.428 5.851 . 0 0 "[ . 1 ]" 3
1410 1 50 LEU H 2 50 LEU QD 6.500 . 7.000 4.490 3.427 5.832 . 0 0 "[ . 1 ]" 3
1411 1 50 LEU HG 2 51 GLN H 6.500 . 7.000 4.657 3.843 5.614 . 0 0 "[ . 1 ]" 3
1412 1 51 GLN H 2 50 LEU HG 6.500 . 7.000 4.652 3.813 5.586 . 0 0 "[ . 1 ]" 3
1413 1 50 LEU QD 2 51 GLN H 6.500 . 7.000 2.995 2.148 4.290 . 0 0 "[ . 1 ]" 3
1414 1 51 GLN H 2 50 LEU QD 6.500 . 7.000 2.988 2.148 4.253 . 0 0 "[ . 1 ]" 3
1415 1 50 LEU QD 2 54 LEU H 7.500 . 8.000 4.738 3.763 5.125 . 0 0 "[ . 1 ]" 3
1416 1 54 LEU H 2 50 LEU QD 7.500 . 8.000 4.734 3.763 5.133 . 0 0 "[ . 1 ]" 3
1417 1 53 ASP H 2 54 LEU HG 6.500 . 7.000 5.917 4.857 6.508 . 0 0 "[ . 1 ]" 3
1418 1 54 LEU HG 2 53 ASP H 6.500 . 7.000 5.913 4.852 6.501 . 0 0 "[ . 1 ]" 3
1419 1 53 ASP H 2 54 LEU QD 6.500 . 7.000 3.750 3.600 3.827 . 0 0 "[ . 1 ]" 3
1420 1 54 LEU QD 2 53 ASP H 6.500 . 7.000 3.746 3.600 3.823 . 0 0 "[ . 1 ]" 3
1421 1 54 LEU H 2 54 LEU HG 6.500 . 7.000 3.981 3.607 4.132 . 0 0 "[ . 1 ]" 3
1422 1 54 LEU HG 2 54 LEU H 6.500 . 7.000 3.977 3.603 4.127 . 0 0 "[ . 1 ]" 3
1423 1 54 LEU H 2 54 LEU QD 5.500 . 6.000 2.638 2.103 3.906 . 0 0 "[ . 1 ]" 3
1424 1 54 LEU QD 2 54 LEU H 5.500 . 6.000 2.633 2.099 3.896 . 0 0 "[ . 1 ]" 3
1425 1 55 ASN H 2 54 LEU QD 6.500 . 7.000 4.597 4.060 5.871 . 0 0 "[ . 1 ]" 3
1426 1 54 LEU QD 2 55 ASN H 6.500 . 7.000 4.594 4.060 5.861 . 0 0 "[ . 1 ]" 3
1427 1 54 LEU HG 2 56 ASP H 6.500 . 7.000 5.818 5.719 6.068 . 0 0 "[ . 1 ]" 3
1428 1 56 ASP H 2 54 LEU HG 6.500 . 7.000 5.822 5.714 6.060 . 0 0 "[ . 1 ]" 3
1429 1 54 LEU QD 2 56 ASP H 6.500 . 7.000 4.791 4.489 5.449 . 0 0 "[ . 1 ]" 3
1430 1 56 ASP H 2 54 LEU QD 6.500 . 7.000 4.793 4.489 5.457 . 0 0 "[ . 1 ]" 3
1431 1 57 LYS QB 2 57 LYS H 6.500 . 7.000 4.136 3.838 4.591 . 0 0 "[ . 1 ]" 3
1432 1 57 LYS QD 2 57 LYS H 6.500 . 7.000 4.864 2.798 6.280 . 0 0 "[ . 1 ]" 3
1433 1 57 LYS H 2 57 LYS QD 6.500 . 7.000 4.862 2.804 6.286 . 0 0 "[ . 1 ]" 3
1434 1 61 ASN H 2 61 ASN HA 6.500 . 7.000 5.653 5.163 6.576 . 0 0 "[ . 1 ]" 3
1435 1 61 ASN HA 2 61 ASN H 6.500 . 7.000 5.651 5.152 6.575 . 0 0 "[ . 1 ]" 3
1436 1 61 ASN H 2 64 LEU QD 6.500 . 7.000 4.740 3.923 5.317 . 0 0 "[ . 1 ]" 3
1437 1 64 LEU QD 2 61 ASN H 6.500 . 7.000 4.741 3.922 5.303 . 0 0 "[ . 1 ]" 3
1438 1 64 LEU MD1 2 64 LEU H 5.500 . 6.000 5.608 4.488 6.010 0.010 7 0 "[ . 1 ]" 3
1439 1 64 LEU H 2 64 LEU MD1 5.500 . 6.000 5.601 4.475 6.018 0.018 7 0 "[ . 1 ]" 3
1440 1 64 LEU MD2 2 64 LEU H 5.500 . 6.000 5.237 3.661 6.036 0.036 8 0 "[ . 1 ]" 3
1441 1 64 LEU H 2 64 LEU MD2 5.500 . 6.000 5.234 3.638 6.024 0.024 4 0 "[ . 1 ]" 3
1442 1 64 LEU MD1 2 65 LYS H 6.500 . 7.000 4.184 3.129 4.790 . 0 0 "[ . 1 ]" 3
1443 1 65 LYS H 2 64 LEU MD1 6.500 . 7.000 4.176 3.120 4.788 . 0 0 "[ . 1 ]" 3
1444 1 64 LEU MD2 2 65 LYS H 6.500 . 7.000 3.518 2.359 4.624 . 0 0 "[ . 1 ]" 3
1445 1 65 LYS H 2 64 LEU MD2 6.500 . 7.000 3.515 2.336 4.615 . 0 0 "[ . 1 ]" 3
1446 1 64 LEU MD1 2 66 ALA H 6.500 . 7.000 5.904 5.233 6.982 . 0 0 "[ . 1 ]" 3
1447 1 66 ALA H 2 64 LEU MD1 6.500 . 7.000 5.896 5.224 6.981 . 0 0 "[ . 1 ]" 3
1448 1 64 LEU MD2 2 66 ALA H 6.500 . 7.000 5.152 4.300 6.556 . 0 0 "[ . 1 ]" 3
1449 1 66 ALA H 2 64 LEU MD2 6.500 . 7.000 5.149 4.280 6.548 . 0 0 "[ . 1 ]" 3
1450 1 64 LEU QD 2 67 LEU H 6.500 . 7.000 5.511 4.688 6.727 . 0 0 "[ . 1 ]" 3
1451 1 67 LEU H 2 64 LEU QD 6.500 . 7.000 5.508 4.665 6.742 . 0 0 "[ . 1 ]" 3
1452 1 68 LEU H 2 68 LEU QD 4.500 . 5.000 4.027 3.260 5.020 0.020 1 0 "[ . 1 ]" 3
1453 1 68 LEU QD 2 68 LEU H 4.500 . 5.000 4.031 3.268 5.023 0.023 1 0 "[ . 1 ]" 3
1454 1 68 LEU QD 2 69 LEU H 6.500 . 7.000 3.442 2.766 4.114 . 0 0 "[ . 1 ]" 3
1455 1 69 LEU H 2 68 LEU QD 6.500 . 7.000 3.437 2.777 4.110 . 0 0 "[ . 1 ]" 3
1456 1 69 LEU H 2 69 LEU HG 6.500 . 7.000 6.897 5.416 7.049 0.049 11 0 "[ . 1 ]" 3
1457 1 69 LEU HG 2 69 LEU H 6.500 . 7.000 6.895 5.418 7.047 0.047 7 0 "[ . 1 ]" 3
1458 1 69 LEU QD 2 69 LEU H 5.500 . 6.000 5.267 4.336 5.927 . 0 0 "[ . 1 ]" 3
1459 1 69 LEU H 2 69 LEU QD 5.500 . 6.000 5.271 4.314 5.924 . 0 0 "[ . 1 ]" 3
1460 1 69 LEU QD 2 70 GLU H 6.500 . 7.000 6.260 5.448 6.686 . 0 0 "[ . 1 ]" 3
1461 1 70 GLU H 2 69 LEU QD 6.500 . 7.000 6.267 5.446 6.707 . 0 0 "[ . 1 ]" 3
1462 1 69 LEU QD 2 71 ARG H 6.500 . 7.000 5.850 4.708 6.885 . 0 0 "[ . 1 ]" 3
1463 1 71 ARG H 2 69 LEU QD 6.500 . 7.000 5.858 4.717 6.862 . 0 0 "[ . 1 ]" 3
1464 2 32 GLU H 2 32 GLU HA 2.800 . 3.300 2.974 2.943 2.994 . 0 0 "[ . 1 ]" 3
1465 2 32 GLU H 2 32 GLU HB3 3.500 . 4.000 3.620 3.372 3.768 . 0 0 "[ . 1 ]" 3
1466 2 32 GLU H 2 32 GLU HB2 3.500 . 4.000 2.703 2.477 3.911 . 0 0 "[ . 1 ]" 3
1467 2 32 GLU H 2 32 GLU QG 4.500 . 5.000 3.490 2.336 3.861 . 0 0 "[ . 1 ]" 3
1468 2 32 GLU H 2 33 TYR H 4.500 . 5.000 4.385 4.054 4.477 . 0 0 "[ . 1 ]" 3
1469 2 32 GLU HA 2 33 TYR H 2.200 . 2.700 2.342 2.214 2.445 . 0 0 "[ . 1 ]" 3
1470 2 32 GLU HA 2 33 TYR QE 4.500 . 5.000 4.972 4.378 5.549 0.549 13 1 "[ . 1 +]" 3
1471 2 32 GLU HA 2 33 TYR QD 4.500 . 5.000 4.200 2.754 4.641 . 0 0 "[ . 1 ]" 3
1472 2 32 GLU HB2 2 33 TYR H 3.600 . 4.100 4.064 2.881 4.566 0.466 13 0 "[ . 1 ]" 3
1473 2 32 GLU HB3 2 33 TYR H 3.600 . 4.100 3.061 2.600 4.015 . 0 0 "[ . 1 ]" 3
1474 2 32 GLU QG 2 33 TYR H 5.500 . 6.000 3.671 3.241 3.876 . 0 0 "[ . 1 ]" 3
1475 2 32 GLU QG 2 34 LEU H 5.500 . 6.000 5.296 4.415 7.528 1.528 9 1 "[ . +1 ]" 3
1476 2 33 TYR H 2 33 TYR HB2 3.500 . 4.000 2.504 2.329 2.604 . 0 0 "[ . 1 ]" 3
1477 2 33 TYR H 2 33 TYR HB3 3.300 . 3.800 3.708 3.590 3.775 . 0 0 "[ . 1 ]" 3
1478 2 33 TYR H 2 33 TYR QE 4.500 . 5.000 5.010 4.792 5.350 0.350 10 0 "[ . 1 ]" 3
1479 2 33 TYR H 2 33 TYR QD 4.500 . 5.000 3.440 2.782 3.755 . 0 0 "[ . 1 ]" 3
1480 2 33 TYR H 2 34 LEU H 3.100 . 3.600 2.768 1.930 4.410 0.810 9 2 "[ . +1 - ]" 3
1481 2 33 TYR HA 2 33 TYR HB2 3.000 . 3.500 3.034 3.016 3.039 . 0 0 "[ . 1 ]" 3
1482 2 33 TYR HA 2 33 TYR QE 4.500 . 5.000 4.293 4.197 4.529 . 0 0 "[ . 1 ]" 3
1483 2 33 TYR HA 2 34 LEU H 3.000 . 3.500 3.192 2.650 3.583 0.083 13 0 "[ . 1 ]" 3
1484 2 33 TYR HB2 2 33 TYR QE 4.500 . 5.000 4.448 4.438 4.497 . 0 0 "[ . 1 ]" 3
1485 2 33 TYR HB2 2 33 TYR QD 2.600 . 3.100 2.355 2.323 2.539 . 0 0 "[ . 1 ]" 3
1486 2 33 TYR HB2 2 34 LEU H 4.000 . 4.500 3.099 1.943 4.376 . 0 0 "[ . 1 ]" 3
1487 2 33 TYR HB3 2 33 TYR QE 4.500 . 5.000 4.541 4.442 4.556 . 0 0 "[ . 1 ]" 3
1488 2 33 TYR HB3 2 33 TYR QD 2.700 . 3.200 2.720 2.340 2.776 . 0 0 "[ . 1 ]" 3
1489 2 33 TYR HB3 2 34 LEU H 4.000 . 4.500 3.543 1.919 4.505 0.005 8 0 "[ . 1 ]" 3
1490 2 33 TYR QD 2 34 LEU H 6.500 . 7.000 4.304 3.866 4.733 . 0 0 "[ . 1 ]" 3
1491 2 34 LEU H 2 34 LEU HA 2.600 . 3.100 2.933 2.811 3.003 . 0 0 "[ . 1 ]" 3
1492 2 34 LEU H 2 34 LEU QB 2.000 . 2.500 2.372 1.935 2.881 0.381 6 0 "[ . 1 ]" 3
1493 2 34 LEU H 2 34 LEU MD1 4.500 . 5.000 3.837 2.240 4.506 . 0 0 "[ . 1 ]" 3
1494 2 34 LEU H 2 34 LEU MD2 4.500 . 5.000 4.181 2.787 4.808 . 0 0 "[ . 1 ]" 3
1495 2 34 LEU H 2 35 GLU H 3.800 . 4.300 4.198 2.012 4.660 0.360 8 0 "[ . 1 ]" 3
1496 2 34 LEU HA 2 34 LEU MD1 4.500 . 5.000 2.849 1.921 3.669 . 0 0 "[ . 1 ]" 3
1497 2 34 LEU HA 2 34 LEU MD2 4.500 . 5.000 2.928 1.969 3.700 . 0 0 "[ . 1 ]" 3
1498 2 34 LEU HA 2 35 GLU H 2.300 . 2.800 2.363 2.209 2.983 0.183 2 0 "[ . 1 ]" 3
1499 2 34 LEU HA 2 36 PRO QD 3.500 . 4.000 3.979 3.040 5.678 1.678 8 1 "[ . + 1 ]" 3
1500 2 34 LEU QB 2 35 GLU H 3.100 . 3.600 3.401 1.928 3.917 0.317 9 0 "[ . 1 ]" 3
1501 2 34 LEU MD1 2 35 GLU H 4.500 . 5.000 3.999 2.125 5.041 0.041 2 0 "[ . 1 ]" 3
1502 2 34 LEU MD2 2 35 GLU H 4.500 . 5.000 3.477 1.972 5.255 0.255 2 0 "[ . 1 ]" 3
1503 2 35 GLU H 2 35 GLU HA 2.900 . 3.400 2.950 2.854 3.001 . 0 0 "[ . 1 ]" 3
1504 2 35 GLU H 2 35 GLU HB3 2.900 . 3.400 3.129 2.646 3.829 0.429 12 0 "[ . 1 ]" 3
1505 2 35 GLU H 2 35 GLU HB2 2.900 . 3.400 3.087 2.696 3.775 0.375 3 0 "[ . 1 ]" 3
1506 2 35 GLU H 2 35 GLU QG 4.500 . 5.000 3.888 2.158 4.252 . 0 0 "[ . 1 ]" 3
1507 2 35 GLU H 2 36 PRO HD3 4.500 . 5.000 3.010 2.530 4.238 . 0 0 "[ . 1 ]" 3
1508 2 35 GLU H 2 36 PRO HD2 4.500 . 5.000 3.911 1.894 4.871 . 0 0 "[ . 1 ]" 3
1509 2 35 GLU HA 2 36 PRO QG 4.500 . 5.000 4.143 3.871 5.301 0.301 10 0 "[ . 1 ]" 3
1510 2 35 GLU HA 2 36 PRO HD3 3.500 . 4.000 2.734 2.033 3.962 . 0 0 "[ . 1 ]" 3
1511 2 35 GLU HA 2 36 PRO HD2 3.500 . 4.000 2.331 2.070 3.837 . 0 0 "[ . 1 ]" 3
1512 2 36 PRO HA 2 36 PRO HB3 2.700 . 3.200 2.266 2.264 2.267 . 0 0 "[ . 1 ]" 3
1513 2 36 PRO HA 2 36 PRO HD3 4.500 . 5.000 3.680 3.600 3.723 . 0 0 "[ . 1 ]" 3
1514 2 36 PRO HA 2 36 PRO HD2 4.500 . 5.000 4.093 4.088 4.098 . 0 0 "[ . 1 ]" 3
1515 2 36 PRO HB3 2 36 PRO QG 1.900 . 2.400 2.180 2.179 2.182 . 0 0 "[ . 1 ]" 3
1516 2 36 PRO HB3 2 36 PRO HD3 4.500 2.400 5.000 3.682 3.600 3.719 . 0 0 "[ . 1 ]" 3
1517 2 36 PRO HB2 2 36 PRO HD3 4.500 2.300 5.000 4.084 4.069 4.088 . 0 0 "[ . 1 ]" 3
1518 2 36 PRO HD2 2 36 PRO QG 3.500 2.400 4.000 2.214 2.205 2.217 0.195 10 0 "[ . 1 ]" 3
1519 2 36 PRO QD 2 39 LYS QG 4.500 . 5.000 6.354 2.423 10.683 5.683 9 8 "[*-**.** +1* ]" 3
1520 2 36 PRO QD 2 39 LYS QD 4.500 . 5.000 6.847 3.493 9.935 4.935 4 8 "[*-*+.** *1* ]" 3
1521 2 39 LYS HA 2 39 LYS QB 2.500 . 3.000 2.370 2.204 2.473 . 0 0 "[ . 1 ]" 3
1522 2 39 LYS H 2 40 ILE H 4.500 . 5.000 4.353 3.732 4.594 . 0 0 "[ . 1 ]" 3
1523 2 39 LYS HA 2 39 LYS QD 4.500 . 5.000 3.528 2.413 4.271 . 0 0 "[ . 1 ]" 3
1524 2 39 LYS HA 2 40 ILE H 2.900 . 3.400 2.295 2.221 2.498 . 0 0 "[ . 1 ]" 3
1525 2 39 LYS HA 2 44 THR HG1 4.000 . 4.500 11.534 10.869 12.082 7.582 13 13 [****-*******+] 3
1526 2 39 LYS QB 2 39 LYS QD 2.700 . 3.200 2.104 1.934 2.297 . 0 0 "[ . 1 ]" 3
1527 2 39 LYS QB 2 40 ILE H 4.000 . 4.500 3.269 2.476 4.006 . 0 0 "[ . 1 ]" 3
1528 2 39 LYS QB 2 43 SER QB 4.500 . 5.000 11.320 10.764 12.474 7.474 2 13 [*+***-*******] 3
1529 2 39 LYS QD 2 40 ILE H 4.500 . 5.000 4.641 3.946 4.996 . 0 0 "[ . 1 ]" 3
1530 2 40 ILE H 2 40 ILE HB 3.600 . 4.100 2.363 2.077 2.555 . 0 0 "[ . 1 ]" 3
1531 2 40 ILE H 2 40 ILE HG13 4.500 . 5.000 4.451 4.383 4.501 . 0 0 "[ . 1 ]" 3
1532 2 40 ILE H 2 40 ILE HG12 4.500 . 5.000 4.482 3.882 4.680 . 0 0 "[ . 1 ]" 3
1533 2 40 ILE H 2 40 ILE MG 3.500 . 4.000 2.201 1.913 2.954 . 0 0 "[ . 1 ]" 3
1534 2 40 ILE H 2 40 ILE MD 3.500 . 4.000 3.921 3.758 4.156 0.156 13 0 "[ . 1 ]" 3
1535 2 40 ILE H 2 41 VAL H 4.500 . 5.000 4.649 4.600 4.682 . 0 0 "[ . 1 ]" 3
1536 2 40 ILE H 2 41 VAL HA 4.500 . 5.000 5.491 5.276 5.765 0.765 12 5 "[ * *-* 1 + ]" 3
1537 2 40 ILE H 2 42 VAL H 3.400 . 3.900 6.928 6.722 7.401 3.501 7 13 [****-*+******] 3
1538 2 40 ILE HA 2 40 ILE HB 2.700 . 3.200 2.573 2.481 2.810 . 0 0 "[ . 1 ]" 3
1539 2 40 ILE HA 2 40 ILE MG 3.500 . 4.000 3.187 3.083 3.211 . 0 0 "[ . 1 ]" 3
1540 2 40 ILE HA 2 40 ILE HG13 3.500 . 4.000 2.946 2.526 3.541 . 0 0 "[ . 1 ]" 3
1541 2 40 ILE HA 2 40 ILE HG12 3.500 . 4.000 3.494 2.463 3.749 . 0 0 "[ . 1 ]" 3
1542 2 40 ILE HA 2 40 ILE MD 3.500 . 4.000 2.016 1.896 2.379 . 0 0 "[ . 1 ]" 3
1543 2 40 ILE HA 2 41 VAL H 3.000 . 3.500 2.323 2.266 2.442 . 0 0 "[ . 1 ]" 3
1544 2 40 ILE HA 2 42 VAL H 4.200 . 4.700 5.650 5.318 5.929 1.229 7 13 [****-*+******] 3
1545 2 40 ILE QG 2 42 VAL QG 4.500 . 5.000 2.703 1.906 3.611 . 0 0 "[ . 1 ]" 3
1546 2 40 ILE QG 2 44 THR MG 4.500 . 5.000 8.016 6.933 9.794 4.794 2 13 [*+**-********] 3
1547 2 40 ILE HB 2 41 VAL H 4.000 . 4.500 4.167 3.917 4.348 . 0 0 "[ . 1 ]" 3
1548 2 40 ILE HB 2 42 VAL QG 4.500 . 5.000 4.910 4.330 5.342 0.342 7 0 "[ . 1 ]" 3
1549 2 40 ILE MD 2 41 VAL H 4.500 . 5.000 2.411 1.782 3.246 0.018 2 0 "[ . 1 ]" 3
1550 2 40 ILE MD 2 44 THR MG 4.000 . 4.500 8.587 7.796 9.082 4.582 7 13 [****-*+******] 3
1551 2 41 VAL H 2 41 VAL HB 3.000 . 3.500 3.112 2.895 3.567 0.067 12 0 "[ . 1 ]" 3
1552 2 41 VAL H 2 41 VAL MG1 4.500 . 5.000 3.600 2.207 4.000 . 0 0 "[ . 1 ]" 3
1553 2 41 VAL H 2 41 VAL MG2 4.500 . 5.000 3.021 2.694 3.986 . 0 0 "[ . 1 ]" 3
1554 2 41 VAL H 2 42 VAL H 4.500 . 5.000 3.676 3.399 3.823 . 0 0 "[ . 1 ]" 3
1555 2 41 VAL H 2 44 THR HB 4.500 . 5.000 9.576 8.557 9.943 4.943 1 13 [+***-********] 3
1556 2 41 VAL HB 2 42 VAL H 3.800 . 4.300 4.396 4.322 4.536 0.236 12 0 "[ . 1 ]" 3
1557 2 41 VAL QG 2 42 VAL H 2.500 . 3.000 3.241 3.010 3.414 0.414 3 0 "[ . 1 ]" 3
1558 2 42 VAL H 2 42 VAL HA 2.300 . 2.800 2.943 2.913 2.959 0.159 13 0 "[ . 1 ]" 3
1559 2 42 VAL HA 2 43 SER H 3.500 . 4.000 3.427 2.793 3.576 . 0 0 "[ . 1 ]" 3
1560 2 42 VAL HB 2 43 SER H 2.900 . 3.400 1.978 1.878 2.371 . 0 0 "[ . 1 ]" 3
1561 2 42 VAL HB 2 46 TYR QE 4.500 . 5.000 3.735 3.212 4.436 . 0 0 "[ . 1 ]" 3
1562 2 42 VAL HB 2 46 TYR QD 2.500 . 3.000 3.071 2.983 3.150 0.150 4 0 "[ . 1 ]" 3
1563 2 42 VAL QG 2 43 SER H 4.000 . 4.500 2.166 1.881 2.821 . 0 0 "[ . 1 ]" 3
1564 2 43 SER H 2 43 SER QB 3.200 . 3.700 2.497 2.156 2.694 . 0 0 "[ . 1 ]" 3
1565 2 43 SER H 2 46 TYR H 4.500 . 5.000 4.682 4.300 5.050 0.050 5 0 "[ . 1 ]" 3
1566 2 43 SER H 2 46 TYR QD 4.500 . 5.000 2.805 2.296 3.509 . 0 0 "[ . 1 ]" 3
1567 2 43 SER HA 2 43 SER HB3 2.600 . 3.100 3.008 2.789 3.037 . 0 0 "[ . 1 ]" 3
1568 2 43 SER HA 2 43 SER HB2 2.600 . 3.100 2.506 2.348 2.921 . 0 0 "[ . 1 ]" 3
1569 2 43 SER HA 2 44 THR H 2.900 . 3.400 2.227 2.218 2.248 . 0 0 "[ . 1 ]" 3
1570 2 43 SER QB 2 44 THR H 3.800 . 4.300 3.816 3.419 3.983 . 0 0 "[ . 1 ]" 3
1571 2 43 SER HB2 2 46 TYR H 4.500 . 5.000 4.328 3.853 4.520 . 0 0 "[ . 1 ]" 3
1572 2 43 SER HB2 2 46 TYR QB 5.500 . 6.000 3.716 2.884 4.237 . 0 0 "[ . 1 ]" 3
1573 2 43 SER HB3 2 46 TYR H 4.500 . 5.000 2.926 2.453 3.247 . 0 0 "[ . 1 ]" 3
1574 2 43 SER HB3 2 46 TYR QB 5.500 . 6.000 2.220 1.919 2.604 . 0 0 "[ . 1 ]" 3
1575 2 43 SER QB 2 46 TYR QD 4.000 . 4.500 3.070 2.947 3.150 . 0 0 "[ . 1 ]" 3
1576 2 43 SER QB 2 46 TYR QE 4.500 . 5.000 5.116 5.062 5.177 0.177 3 0 "[ . 1 ]" 3
1577 2 43 SER QB 2 47 LEU QD 4.500 . 5.000 4.563 3.534 6.088 1.088 11 2 "[ - . 1+ ]" 3
1578 2 44 THR H 2 44 THR HB 3.600 . 4.100 2.427 2.379 2.476 . 0 0 "[ . 1 ]" 3
1579 2 44 THR H 2 44 THR MG 4.500 . 5.000 1.930 1.908 2.003 . 0 0 "[ . 1 ]" 3
1580 2 44 THR H 2 45 LYS H 4.500 . 5.000 2.665 2.492 2.837 . 0 0 "[ . 1 ]" 3
1581 2 44 THR HA 2 44 THR HB 3.000 . 3.500 2.490 2.466 2.512 . 0 0 "[ . 1 ]" 3
1582 2 44 THR HA 2 45 LYS H 3.900 . 4.400 3.556 3.528 3.582 . 0 0 "[ . 1 ]" 3
1583 2 44 THR HA 2 47 LEU H 3.400 . 3.900 3.206 2.810 3.348 . 0 0 "[ . 1 ]" 3
1584 2 44 THR HA 2 47 LEU QB 4.000 . 4.500 2.323 1.997 2.916 . 0 0 "[ . 1 ]" 3
1585 2 44 THR HA 2 47 LEU HG 3.500 . 4.000 3.932 3.457 4.350 0.350 4 0 "[ . 1 ]" 3
1586 2 44 THR HA 2 47 LEU QD 4.500 . 5.000 3.103 1.874 3.570 . 0 0 "[ . 1 ]" 3
1587 2 44 THR HB 2 45 LYS H 3.400 . 3.900 3.891 3.808 3.955 0.055 13 0 "[ . 1 ]" 3
1588 2 44 THR HB 2 47 LEU QD 4.500 . 5.000 4.861 3.621 5.266 0.266 7 0 "[ . 1 ]" 3
1589 2 44 THR MG 2 45 LYS H 4.500 . 5.000 1.942 1.840 2.092 . 0 0 "[ . 1 ]" 3
1590 2 44 THR MG 2 47 LEU H 4.500 . 5.000 4.912 4.508 5.127 0.127 5 0 "[ . 1 ]" 3
1591 2 44 THR MG 2 47 LEU QB 4.500 . 5.000 4.543 4.208 4.886 . 0 0 "[ . 1 ]" 3
1592 2 44 THR MG 2 48 GLN QG 4.500 . 5.000 4.876 4.399 5.062 0.062 7 0 "[ . 1 ]" 3
1593 2 45 LYS H 2 45 LYS HA 2.900 . 3.400 2.825 2.813 2.841 . 0 0 "[ . 1 ]" 3
1594 2 45 LYS H 2 45 LYS HB3 3.000 . 3.500 2.923 2.479 3.526 0.026 3 0 "[ . 1 ]" 3
1595 2 45 LYS H 2 45 LYS HB2 3.000 . 3.500 2.186 1.965 2.528 . 0 0 "[ . 1 ]" 3
1596 2 45 LYS H 2 45 LYS QG 4.500 . 5.000 3.549 2.165 3.935 . 0 0 "[ . 1 ]" 3
1597 2 45 LYS H 2 45 LYS QD 4.500 . 5.000 4.050 2.058 4.537 . 0 0 "[ . 1 ]" 3
1598 2 45 LYS H 2 46 TYR H 3.900 . 4.400 2.784 2.671 3.004 . 0 0 "[ . 1 ]" 3
1599 2 45 LYS H 2 47 LEU H 4.400 . 4.900 4.328 3.977 4.643 . 0 0 "[ . 1 ]" 3
1600 2 45 LYS HA 2 45 LYS HB3 2.400 . 2.900 2.918 2.451 3.032 0.132 2 0 "[ . 1 ]" 3
1601 2 45 LYS HA 2 45 LYS HB2 2.400 . 2.900 2.698 2.473 3.031 0.131 3 0 "[ . 1 ]" 3
1602 2 45 LYS HA 2 46 TYR H 3.500 . 4.000 3.541 3.484 3.588 . 0 0 "[ . 1 ]" 3
1603 2 45 LYS HA 2 48 GLN H 3.000 . 3.500 3.514 3.356 3.617 0.117 5 0 "[ . 1 ]" 3
1604 2 45 LYS HA 2 48 GLN QB 2.800 . 3.300 2.568 2.331 2.776 . 0 0 "[ . 1 ]" 3
1605 2 45 LYS HB3 2 46 TYR H 4.500 . 5.000 2.710 2.231 3.918 . 0 0 "[ . 1 ]" 3
1606 2 45 LYS HB2 2 46 TYR H 4.500 . 5.000 3.386 2.443 3.885 . 0 0 "[ . 1 ]" 3
1607 2 45 LYS QB 2 48 GLN QB 4.500 . 5.000 4.396 4.175 4.586 . 0 0 "[ . 1 ]" 3
1608 2 45 LYS QG 2 46 TYR H 4.500 . 5.000 4.188 3.496 4.526 . 0 0 "[ . 1 ]" 3
1609 2 45 LYS QG 2 48 GLN QB 4.500 . 5.000 3.855 3.409 4.260 . 0 0 "[ . 1 ]" 3
1610 2 45 LYS QD 2 46 TYR H 3.400 . 3.900 3.801 3.545 3.923 0.023 1 0 "[ . 1 ]" 3
1611 2 46 TYR H 2 46 TYR HA 2.900 . 3.400 2.868 2.836 2.916 . 0 0 "[ . 1 ]" 3
1612 2 46 TYR H 2 46 TYR HB3 3.000 . 3.500 2.098 1.935 2.776 . 0 0 "[ . 1 ]" 3
1613 2 46 TYR H 2 46 TYR HB2 3.000 . 3.500 2.825 2.084 3.074 . 0 0 "[ . 1 ]" 3
1614 2 46 TYR H 2 46 TYR QD 4.500 . 5.000 3.874 3.661 4.088 . 0 0 "[ . 1 ]" 3
1615 2 46 TYR HA 2 46 TYR HB3 2.800 . 3.300 2.968 2.914 3.026 . 0 0 "[ . 1 ]" 3
1616 2 46 TYR HA 2 46 TYR HB2 2.800 . 3.300 2.357 2.276 2.658 . 0 0 "[ . 1 ]" 3
1617 2 46 TYR HA 2 46 TYR QE 4.500 . 5.000 4.870 4.345 5.133 0.133 13 0 "[ . 1 ]" 3
1618 2 46 TYR HA 2 46 TYR QD 2.500 . 3.000 2.699 2.198 2.970 . 0 0 "[ . 1 ]" 3
1619 2 46 TYR HA 2 47 LEU H 3.500 . 4.000 3.572 3.523 3.602 . 0 0 "[ . 1 ]" 3
1620 2 46 TYR HA 2 49 GLN H 3.300 . 3.800 3.557 3.365 3.852 0.052 11 0 "[ . 1 ]" 3
1621 2 46 TYR HA 2 50 LEU H 4.500 . 5.000 4.461 4.044 4.931 . 0 0 "[ . 1 ]" 3
1622 2 46 TYR HB3 2 46 TYR QE 4.500 . 5.000 4.453 4.431 4.555 . 0 0 "[ . 1 ]" 3
1623 2 46 TYR HB3 2 47 LEU H 4.000 . 4.500 2.657 2.098 3.059 . 0 0 "[ . 1 ]" 3
1624 2 46 TYR HB2 2 46 TYR QE 4.500 . 5.000 4.519 4.434 4.558 . 0 0 "[ . 1 ]" 3
1625 2 46 TYR HB2 2 47 LEU H 4.000 . 4.500 3.877 3.349 4.208 . 0 0 "[ . 1 ]" 3
1626 2 46 TYR QE 2 47 LEU HA 4.500 . 5.000 4.372 3.722 5.659 0.659 1 2 "[+ . 1- ]" 3
1627 2 46 TYR QE 2 47 LEU QB 4.500 . 5.000 5.186 4.383 6.928 1.928 1 2 "[+ . 1- ]" 3
1628 2 46 TYR QE 2 47 LEU HG 4.500 . 5.000 5.293 3.995 8.115 3.115 1 3 "[+ * . 1- ]" 3
1629 2 46 TYR QE 2 47 LEU QD 2.500 . 3.000 3.043 2.129 5.458 2.458 11 3 "[- * . 1+ ]" 3
1630 2 46 TYR QE 2 50 LEU QB 4.500 . 5.000 3.868 3.159 4.585 . 0 0 "[ . 1 ]" 3
1631 2 46 TYR QE 2 50 LEU QD 3.000 . 3.500 2.429 2.019 2.813 . 0 0 "[ . 1 ]" 3
1632 2 46 TYR QD 2 47 LEU H 4.500 . 5.000 3.276 2.824 3.829 . 0 0 "[ . 1 ]" 3
1633 2 46 TYR QD 2 47 LEU HA 4.000 . 4.500 3.920 3.489 4.231 . 0 0 "[ . 1 ]" 3
1634 2 46 TYR QD 2 47 LEU QB 4.500 . 5.000 4.257 3.746 5.109 0.109 11 0 "[ . 1 ]" 3
1635 2 46 TYR QD 2 47 LEU HG 4.500 . 5.000 5.041 4.198 6.614 1.614 3 2 "[- + . 1 ]" 3
1636 2 46 TYR QD 2 47 LEU QD 2.000 . 2.500 2.796 2.043 4.813 2.313 3 3 "[- + . 1* ]" 3
1637 2 46 TYR QD 2 49 GLN H 4.500 . 5.000 5.005 4.644 5.084 0.084 3 0 "[ . 1 ]" 3
1638 2 46 TYR QD 2 50 LEU QB 4.500 . 5.000 3.854 3.183 4.613 . 0 0 "[ . 1 ]" 3
1639 2 46 TYR QD 2 50 LEU QD 4.000 . 4.500 3.034 2.138 3.935 . 0 0 "[ . 1 ]" 3
1640 2 47 LEU H 2 47 LEU HA 3.000 . 3.500 2.835 2.789 2.907 . 0 0 "[ . 1 ]" 3
1641 2 47 LEU H 2 47 LEU HG 3.500 . 4.000 3.826 2.680 4.139 0.139 13 0 "[ . 1 ]" 3
1642 2 47 LEU H 2 48 GLN H 3.200 . 3.700 2.760 2.509 2.891 . 0 0 "[ . 1 ]" 3
1643 2 47 LEU H 2 48 GLN QB 4.500 . 5.000 4.309 4.090 4.463 . 0 0 "[ . 1 ]" 3
1644 2 47 LEU HA 2 47 LEU HG 3.000 . 3.500 3.246 2.002 3.612 0.112 10 0 "[ . 1 ]" 3
1645 2 47 LEU HA 2 48 GLN H 3.300 . 3.800 3.564 3.529 3.584 . 0 0 "[ . 1 ]" 3
1646 2 47 LEU HA 2 50 LEU H 3.900 . 4.400 3.581 3.318 3.804 . 0 0 "[ . 1 ]" 3
1647 2 47 LEU HA 2 50 LEU QB 3.500 . 4.000 2.674 2.437 2.933 . 0 0 "[ . 1 ]" 3
1648 2 47 LEU HA 2 50 LEU HG 4.500 . 5.000 4.749 3.191 5.711 0.711 11 1 "[ . 1+ ]" 3
1649 2 47 LEU HA 2 50 LEU QD 4.000 . 4.500 3.370 2.937 4.004 . 0 0 "[ . 1 ]" 3
1650 2 47 LEU HA 2 51 GLN H 4.500 4.400 5.000 4.458 4.369 4.953 0.031 9 0 "[ . 1 ]" 3
1651 2 47 LEU QB 2 48 GLN H 2.900 . 3.400 2.607 2.414 2.808 . 0 0 "[ . 1 ]" 3
1652 2 47 LEU HG 2 48 GLN H 4.500 . 5.000 4.864 3.317 5.197 0.197 10 0 "[ . 1 ]" 3
1653 2 47 LEU HG 2 51 GLN QE 4.500 . 5.000 4.155 2.468 4.891 . 0 0 "[ . 1 ]" 3
1654 2 47 LEU QD 2 51 GLN HE21 3.500 . 4.000 3.092 2.239 4.200 0.200 10 0 "[ . 1 ]" 3
1655 2 47 LEU QD 2 51 GLN HE22 3.500 . 4.000 2.514 1.887 4.248 0.248 10 0 "[ . 1 ]" 3
1656 2 48 GLN H 2 48 GLN HA 2.700 . 3.200 2.868 2.803 2.911 . 0 0 "[ . 1 ]" 3
1657 2 48 GLN H 2 48 GLN HB3 2.700 . 3.200 3.194 3.060 3.266 0.066 1 0 "[ . 1 ]" 3
1658 2 48 GLN H 2 48 GLN HB2 2.700 . 3.200 1.949 1.936 2.004 . 0 0 "[ . 1 ]" 3
1659 2 48 GLN H 2 48 GLN HG3 4.500 . 5.000 4.029 3.710 4.326 . 0 0 "[ . 1 ]" 3
1660 2 48 GLN H 2 48 GLN HG2 4.500 . 5.000 4.163 3.564 4.487 . 0 0 "[ . 1 ]" 3
1661 2 48 GLN H 2 49 GLN H 3.100 . 3.600 2.733 2.573 2.881 . 0 0 "[ . 1 ]" 3
1662 2 48 GLN HA 2 48 GLN HB3 2.400 . 2.900 2.863 2.814 2.913 0.013 3 0 "[ . 1 ]" 3
1663 2 48 GLN HA 2 48 GLN HB2 2.400 . 2.900 2.859 2.807 2.908 0.008 12 0 "[ . 1 ]" 3
1664 2 48 GLN HA 2 48 GLN HG3 4.000 . 4.500 2.492 1.939 3.453 . 0 0 "[ . 1 ]" 3
1665 2 48 GLN HA 2 48 GLN HG2 4.000 . 4.500 2.981 1.940 3.516 . 0 0 "[ . 1 ]" 3
1666 2 48 GLN HA 2 49 GLN H 4.500 . 5.000 3.584 3.566 3.599 . 0 0 "[ . 1 ]" 3
1667 2 48 GLN HB3 2 49 GLN H 2.600 . 3.100 2.701 2.522 2.867 . 0 0 "[ . 1 ]" 3
1668 2 48 GLN QB 2 50 LEU H 4.000 . 4.500 4.378 4.279 4.510 0.010 5 0 "[ . 1 ]" 3
1669 2 48 GLN HB2 2 49 GLN H 2.600 . 3.100 3.018 2.878 3.140 0.040 3 0 "[ . 1 ]" 3
1670 2 48 GLN QG 2 51 GLN H 4.500 . 5.000 4.992 4.772 5.087 0.087 13 0 "[ . 1 ]" 3
1671 2 48 GLN QG 2 49 GLN H 4.500 . 5.000 4.334 4.187 4.433 . 0 0 "[ . 1 ]" 3
1672 2 48 GLN QG 2 52 LYS H 4.500 . 5.000 4.866 4.580 5.040 0.040 9 0 "[ . 1 ]" 3
1673 2 48 GLN QE 2 51 GLN HE21 4.500 . 5.000 4.690 4.152 5.013 0.013 9 0 "[ . 1 ]" 3
1674 2 48 GLN QE 2 51 GLN HE22 4.500 . 5.000 4.518 3.370 5.174 0.174 5 0 "[ . 1 ]" 3
1675 2 49 GLN H 2 49 GLN HA 2.700 . 3.200 2.840 2.796 2.869 . 0 0 "[ . 1 ]" 3
1676 2 49 GLN H 2 49 GLN QB 2.800 . 3.300 2.084 1.933 2.176 . 0 0 "[ . 1 ]" 3
1677 2 49 GLN H 2 49 GLN QG 4.500 . 5.000 3.706 2.838 4.006 . 0 0 "[ . 1 ]" 3
1678 2 49 GLN H 2 50 LEU H 2.800 . 3.300 2.688 2.597 2.829 . 0 0 "[ . 1 ]" 3
1679 2 49 GLN HA 2 49 GLN QE 4.500 . 5.000 3.846 2.264 4.652 . 0 0 "[ . 1 ]" 3
1680 2 49 GLN HA 2 50 LEU H 3.200 . 3.700 3.509 3.482 3.544 . 0 0 "[ . 1 ]" 3
1681 2 49 GLN HA 2 51 GLN H 4.500 . 5.000 4.492 3.874 4.674 . 0 0 "[ . 1 ]" 3
1682 2 49 GLN HA 2 52 LYS QB 4.300 . 4.800 2.938 2.632 3.218 . 0 0 "[ . 1 ]" 3
1683 2 49 GLN HA 2 52 LYS QG 4.500 . 5.000 4.609 3.893 5.010 0.010 4 0 "[ . 1 ]" 3
1684 2 49 GLN QB 2 50 LEU H 4.700 . 5.200 2.764 2.614 2.899 . 0 0 "[ . 1 ]" 3
1685 2 50 LEU H 2 50 LEU HB3 3.200 . 3.700 2.989 2.541 3.495 . 0 0 "[ . 1 ]" 3
1686 2 50 LEU H 2 50 LEU HB2 3.200 . 3.700 2.101 1.959 2.349 . 0 0 "[ . 1 ]" 3
1687 2 50 LEU H 2 50 LEU QD 4.500 . 5.000 2.965 1.891 3.534 . 0 0 "[ . 1 ]" 3
1688 2 50 LEU H 2 51 GLN H 3.000 . 3.500 2.516 2.374 2.684 . 0 0 "[ . 1 ]" 3
1689 2 50 LEU H 2 52 LYS H 4.300 . 4.800 4.203 3.878 4.727 . 0 0 "[ . 1 ]" 3
1690 2 50 LEU HA 2 50 LEU QB 2.600 . 3.100 2.501 2.425 2.550 . 0 0 "[ . 1 ]" 3
1691 2 50 LEU HA 2 51 GLN H 3.000 . 3.500 3.543 3.455 3.566 0.066 10 0 "[ . 1 ]" 3
1692 2 50 LEU HA 2 51 GLN QE 4.500 . 5.000 5.220 4.529 5.572 0.572 11 2 "[ . 1+- ]" 3
1693 2 50 LEU HA 2 53 ASP QB 3.000 . 3.500 2.574 2.188 2.756 . 0 0 "[ . 1 ]" 3
1694 2 50 LEU HB3 2 51 GLN H 3.900 . 4.400 2.766 2.299 3.858 . 0 0 "[ . 1 ]" 3
1695 2 50 LEU QB 2 51 GLN QB 3.000 . 3.500 3.838 3.661 4.702 1.202 5 1 "[ + 1 ]" 3
1696 2 50 LEU QB 2 51 GLN QG 4.500 . 5.000 4.195 3.222 4.659 . 0 0 "[ . 1 ]" 3
1697 2 50 LEU HB2 2 51 GLN H 3.900 . 4.400 3.251 2.752 3.651 . 0 0 "[ . 1 ]" 3
1698 2 50 LEU HG 2 51 GLN QG 4.500 . 5.000 5.899 4.772 7.235 2.235 1 9 "[+ **- *****]" 3
1699 2 50 LEU QD 2 51 GLN H 4.500 . 5.000 3.864 3.634 4.023 . 0 0 "[ . 1 ]" 3
1700 2 50 LEU QD 2 51 GLN QG 4.500 . 5.000 4.859 4.346 5.645 0.645 1 1 "[+ . 1 ]" 3
1701 2 50 LEU QD 2 51 GLN HE21 4.500 . 5.000 4.260 3.707 4.748 . 0 0 "[ . 1 ]" 3
1702 2 50 LEU QD 2 51 GLN HE22 4.500 . 5.000 5.060 4.401 5.671 0.671 4 2 "[ +. 1- ]" 3
1703 2 50 LEU QD 2 54 LEU H 4.500 . 5.000 4.763 4.009 5.498 0.498 12 0 "[ . 1 ]" 3
1704 2 51 GLN H 2 51 GLN HA 2.800 . 3.300 2.876 2.829 2.921 . 0 0 "[ . 1 ]" 3
1705 2 51 GLN H 2 51 GLN HB3 2.600 . 3.100 3.231 3.130 3.544 0.444 5 0 "[ . 1 ]" 3
1706 2 51 GLN H 2 51 GLN HB2 2.600 . 3.100 1.977 1.908 2.669 . 0 0 "[ . 1 ]" 3
1707 2 51 GLN H 2 51 GLN QG 4.500 . 5.000 3.359 1.763 3.760 0.037 5 0 "[ . 1 ]" 3
1708 2 51 GLN H 2 52 LYS H 2.700 . 3.200 2.708 2.430 3.051 . 0 0 "[ . 1 ]" 3
1709 2 51 GLN HA 2 51 GLN HB3 3.000 . 3.500 2.802 2.352 2.872 . 0 0 "[ . 1 ]" 3
1710 2 51 GLN HA 2 51 GLN HB2 2.900 . 3.400 2.888 2.853 3.018 . 0 0 "[ . 1 ]" 3
1711 2 51 GLN HA 2 51 GLN QE 4.500 . 5.000 3.390 2.724 3.697 . 0 0 "[ . 1 ]" 3
1712 2 51 GLN HA 2 52 LYS H 4.500 . 5.000 3.583 3.533 3.604 . 0 0 "[ . 1 ]" 3
1713 2 51 GLN HA 2 53 ASP H 4.500 . 5.000 4.507 4.248 4.900 . 0 0 "[ . 1 ]" 3
1714 2 51 GLN HA 2 54 LEU QB 4.500 . 5.000 2.774 2.210 3.024 . 0 0 "[ . 1 ]" 3
1715 2 51 GLN HB3 2 52 LYS H 3.300 . 3.800 2.789 2.293 3.595 . 0 0 "[ . 1 ]" 3
1716 2 51 GLN HB2 2 52 LYS H 3.300 . 3.800 2.892 2.198 3.220 . 0 0 "[ . 1 ]" 3
1717 2 51 GLN QG 2 52 LYS H 4.500 . 5.000 4.227 3.465 4.450 . 0 0 "[ . 1 ]" 3
1718 2 51 GLN QE 2 52 LYS H 5.500 . 6.000 4.544 4.257 5.328 . 0 0 "[ . 1 ]" 3
1719 2 51 GLN QE 2 53 ASP H 5.500 . 6.000 6.128 5.743 6.525 0.525 5 1 "[ + 1 ]" 3
1720 2 52 LYS H 2 53 ASP H 2.900 . 3.400 2.676 2.472 2.878 . 0 0 "[ . 1 ]" 3
1721 2 52 LYS HA 2 55 ASN H 2.500 . 3.000 3.134 3.098 3.168 0.168 9 0 "[ . 1 ]" 3
1722 2 52 LYS HA 2 55 ASN HB3 2.900 . 3.400 3.265 2.982 3.418 0.018 5 0 "[ . 1 ]" 3
1723 2 52 LYS HA 2 55 ASN HB2 2.900 . 3.400 2.487 2.342 2.677 . 0 0 "[ . 1 ]" 3
1724 2 52 LYS HA 2 55 ASN QD 4.500 . 5.000 4.472 3.811 5.010 0.010 12 0 "[ . 1 ]" 3
1725 2 52 LYS HA 2 56 ASP H 3.600 . 4.100 4.189 4.110 4.250 0.150 12 0 "[ . 1 ]" 3
1726 2 52 LYS QB 2 53 ASP H 3.400 . 3.900 2.559 2.380 2.724 . 0 0 "[ . 1 ]" 3
1727 2 52 LYS QB 2 55 ASN QB 4.500 2.300 5.000 4.151 3.899 4.316 . 0 0 "[ . 1 ]" 3
1728 2 52 LYS QG 2 53 ASP H 4.500 . 5.000 4.075 3.524 4.430 . 0 0 "[ . 1 ]" 3
1729 2 52 LYS QG 2 55 ASN QB 4.500 2.300 5.000 3.497 3.133 4.257 . 0 0 "[ . 1 ]" 3
1730 2 53 ASP H 2 53 ASP HA 2.700 . 3.200 2.838 2.825 2.868 . 0 0 "[ . 1 ]" 3
1731 2 53 ASP H 2 53 ASP QB 2.800 . 3.300 2.087 1.933 2.179 . 0 0 "[ . 1 ]" 3
1732 2 53 ASP H 2 54 LEU H 2.800 . 3.300 2.715 2.580 2.770 . 0 0 "[ . 1 ]" 3
1733 2 53 ASP HA 2 53 ASP QB 2.600 . 3.100 2.460 2.387 2.552 . 0 0 "[ . 1 ]" 3
1734 2 53 ASP HA 2 54 LEU H 4.500 . 5.000 3.553 3.535 3.566 . 0 0 "[ . 1 ]" 3
1735 2 53 ASP HA 2 56 ASP HB3 2.700 . 3.200 3.060 2.780 3.219 0.019 11 0 "[ . 1 ]" 3
1736 2 53 ASP HA 2 56 ASP HB2 2.700 . 3.200 2.614 2.174 3.094 . 0 0 "[ . 1 ]" 3
1737 2 53 ASP QB 2 54 LEU H 3.700 . 4.200 2.508 2.385 2.690 . 0 0 "[ . 1 ]" 3
1738 2 53 ASP QB 2 54 LEU QD 4.500 . 5.000 4.719 4.201 4.970 . 0 0 "[ . 1 ]" 3
1739 2 54 LEU H 2 54 LEU HA 2.700 . 3.200 2.863 2.835 2.890 . 0 0 "[ . 1 ]" 3
1740 2 54 LEU H 2 54 LEU QB 2.300 . 2.800 2.092 1.928 2.169 . 0 0 "[ . 1 ]" 3
1741 2 54 LEU H 2 54 LEU HG 3.200 . 3.700 4.135 3.479 4.370 0.670 5 9 "[**-*+****1 ]" 3
1742 2 54 LEU H 2 54 LEU QD 4.500 . 5.000 3.575 3.353 3.667 . 0 0 "[ . 1 ]" 3
1743 2 54 LEU HA 2 54 LEU HG 3.200 . 3.700 2.254 2.011 2.414 . 0 0 "[ . 1 ]" 3
1744 2 54 LEU HA 2 55 ASN H 3.000 . 3.500 3.571 3.557 3.584 0.084 10 0 "[ . 1 ]" 3
1745 2 54 LEU QB 2 55 ASN H 2.700 . 3.200 2.469 2.393 2.539 . 0 0 "[ . 1 ]" 3
1746 2 54 LEU QB 2 56 ASP H 4.500 . 5.000 4.467 4.226 4.625 . 0 0 "[ . 1 ]" 3
1747 2 54 LEU HG 2 56 ASP H 4.500 . 5.000 5.787 5.668 5.984 0.984 13 13 [********-***+] 3
1748 2 54 LEU QD 2 55 ASN H 4.500 . 5.000 3.220 2.779 3.891 . 0 0 "[ . 1 ]" 3
1749 2 54 LEU QD 2 57 LYS HA 4.500 . 5.000 5.912 5.503 6.210 1.210 5 13 [****+*******-] 3
1750 2 55 ASN H 2 55 ASN HB3 2.500 . 3.000 3.025 2.869 3.054 0.054 12 0 "[ . 1 ]" 3
1751 2 55 ASN H 2 55 ASN HB2 2.500 . 3.000 1.967 1.945 2.060 . 0 0 "[ . 1 ]" 3
1752 2 55 ASN H 2 56 ASP H 3.400 . 3.900 2.585 2.518 2.665 . 0 0 "[ . 1 ]" 3
1753 2 55 ASN HA 2 55 ASN QB 2.600 . 3.100 2.533 2.499 2.539 . 0 0 "[ . 1 ]" 3
1754 2 55 ASN HA 2 55 ASN HD21 4.500 . 5.000 3.528 1.986 4.351 . 0 0 "[ . 1 ]" 3
1755 2 55 ASN HA 2 55 ASN HD22 4.500 . 5.000 3.931 3.216 4.406 . 0 0 "[ . 1 ]" 3
1756 2 55 ASN HA 2 58 THR MG 4.000 . 4.500 3.760 3.634 3.885 . 0 0 "[ . 1 ]" 3
1757 2 55 ASN HB3 2 56 ASP H 3.100 . 3.600 2.894 2.754 3.038 . 0 0 "[ . 1 ]" 3
1758 2 55 ASN HB3 2 57 LYS H 4.500 . 5.000 4.806 4.730 4.893 . 0 0 "[ . 1 ]" 3
1759 2 55 ASN HB3 2 58 THR HB 4.500 . 5.000 4.655 4.543 4.892 . 0 0 "[ . 1 ]" 3
1760 2 55 ASN QB 2 58 THR H 4.500 . 5.000 4.663 4.450 4.759 . 0 0 "[ . 1 ]" 3
1761 2 55 ASN QB 2 58 THR MG 4.500 . 5.000 4.936 4.805 5.061 0.061 5 0 "[ . 1 ]" 3
1762 2 55 ASN QB 2 59 GLU H 4.500 . 5.000 4.694 4.521 4.854 . 0 0 "[ . 1 ]" 3
1763 2 55 ASN HB2 2 56 ASP H 3.100 . 3.600 3.370 3.284 3.559 . 0 0 "[ . 1 ]" 3
1764 2 55 ASN HB2 2 57 LYS H 4.500 . 5.000 5.139 5.106 5.170 0.170 11 0 "[ . 1 ]" 3
1765 2 55 ASN HB2 2 58 THR HB 4.500 . 5.000 5.103 5.062 5.165 0.165 12 0 "[ . 1 ]" 3
1766 2 55 ASN QD 2 56 ASP H 4.500 . 5.000 4.899 4.645 5.066 0.066 7 0 "[ . 1 ]" 3
1767 2 56 ASP H 2 56 ASP HA 2.500 . 3.000 2.890 2.859 2.920 . 0 0 "[ . 1 ]" 3
1768 2 56 ASP H 2 56 ASP HB3 2.800 . 3.300 2.837 2.627 3.094 . 0 0 "[ . 1 ]" 3
1769 2 56 ASP H 2 56 ASP HB2 2.800 . 3.300 2.129 1.980 2.286 . 0 0 "[ . 1 ]" 3
1770 2 56 ASP H 2 57 LYS H 3.500 . 4.000 2.543 2.424 2.632 . 0 0 "[ . 1 ]" 3
1771 2 56 ASP HA 2 56 ASP HB3 2.700 . 3.200 2.990 2.929 3.030 . 0 0 "[ . 1 ]" 3
1772 2 56 ASP HA 2 56 ASP HB2 2.700 . 3.200 2.687 2.576 2.802 . 0 0 "[ . 1 ]" 3
1773 2 56 ASP HA 2 57 LYS H 2.900 . 3.400 3.467 3.455 3.493 0.093 5 0 "[ . 1 ]" 3
1774 2 56 ASP HA 2 59 GLU H 2.700 . 3.200 3.201 3.158 3.221 0.021 8 0 "[ . 1 ]" 3
1775 2 56 ASP HA 2 59 GLU HA 4.500 . 5.000 5.150 5.104 5.172 0.172 5 0 "[ . 1 ]" 3
1776 2 56 ASP HA 2 59 GLU QB 4.100 . 4.600 2.255 2.196 2.337 . 0 0 "[ . 1 ]" 3
1777 2 56 ASP HA 2 59 GLU HG3 4.500 . 5.000 3.847 2.931 5.023 0.023 8 0 "[ . 1 ]" 3
1778 2 56 ASP HA 2 59 GLU HG2 4.500 . 5.000 4.582 3.839 5.020 0.020 12 0 "[ . 1 ]" 3
1779 2 56 ASP HA 2 60 GLU H 3.300 . 3.800 3.792 3.578 3.860 0.060 4 0 "[ . 1 ]" 3
1780 2 56 ASP HB3 2 57 LYS H 3.400 . 3.900 3.093 2.959 3.219 . 0 0 "[ . 1 ]" 3
1781 2 56 ASP HB2 2 57 LYS H 3.400 . 3.900 3.752 3.422 3.912 0.012 7 0 "[ . 1 ]" 3
1782 2 56 ASP QB 2 58 THR H 4.500 . 5.000 4.643 4.487 4.738 . 0 0 "[ . 1 ]" 3
1783 2 57 LYS H 2 57 LYS HA 3.000 . 3.500 2.938 2.928 2.947 . 0 0 "[ . 1 ]" 3
1784 2 57 LYS H 2 57 LYS QG 4.500 . 5.000 2.864 2.005 3.960 . 0 0 "[ . 1 ]" 3
1785 2 57 LYS H 2 57 LYS QD 4.500 . 5.000 3.818 3.099 4.602 . 0 0 "[ . 1 ]" 3
1786 2 57 LYS H 2 58 THR H 3.200 . 3.700 2.266 2.224 2.323 . 0 0 "[ . 1 ]" 3
1787 2 57 LYS H 2 58 THR MG 4.500 . 5.000 5.368 5.277 5.474 0.474 5 0 "[ . 1 ]" 3
1788 2 57 LYS HA 2 57 LYS QD 2.400 . 2.900 2.585 1.924 4.052 1.152 12 3 "[ . - +*]" 3
1789 2 57 LYS HA 2 60 GLU QG 3.500 . 4.000 3.677 3.299 4.018 0.018 8 0 "[ . 1 ]" 3
1790 2 57 LYS QB 2 61 ASN QD 3.500 2.100 4.000 3.610 3.338 3.719 . 0 0 "[ . 1 ]" 3
1791 2 57 LYS QB 2 58 THR HA 4.500 . 5.000 4.061 3.916 4.202 . 0 0 "[ . 1 ]" 3
1792 2 57 LYS QB 2 58 THR H 3.000 . 3.500 2.655 2.452 2.762 . 0 0 "[ . 1 ]" 3
1793 2 57 LYS QD 2 58 THR H 4.500 . 5.000 4.693 3.484 5.106 0.106 10 0 "[ . 1 ]" 3
1794 2 57 LYS QD 2 61 ASN QD 4.500 . 5.000 4.268 1.781 5.298 0.298 4 0 "[ . 1 ]" 3
1795 2 58 THR H 2 58 THR HA 3.000 . 3.500 2.911 2.884 2.939 . 0 0 "[ . 1 ]" 3
1796 2 58 THR H 2 58 THR HB 3.500 . 4.000 2.152 2.018 2.653 . 0 0 "[ . 1 ]" 3
1797 2 58 THR H 2 58 THR MG 4.500 . 5.000 3.599 3.524 3.659 . 0 0 "[ . 1 ]" 3
1798 2 58 THR H 2 59 GLU H 3.000 . 3.500 2.450 2.332 2.538 . 0 0 "[ . 1 ]" 3
1799 2 58 THR H 2 60 GLU H 3.100 . 3.600 3.707 3.691 3.736 0.136 13 0 "[ . 1 ]" 3
1800 2 58 THR H 2 61 ASN H 4.500 . 5.000 4.472 4.390 4.521 . 0 0 "[ . 1 ]" 3
1801 2 58 THR HA 2 58 THR HB 2.800 . 3.300 3.027 3.008 3.038 . 0 0 "[ . 1 ]" 3
1802 2 58 THR HA 2 59 GLU H 3.400 . 3.900 3.571 3.556 3.581 . 0 0 "[ . 1 ]" 3
1803 2 58 THR HA 2 60 GLU H 4.000 . 4.500 4.227 4.177 4.293 . 0 0 "[ . 1 ]" 3
1804 2 58 THR HA 2 61 ASN H 3.300 . 3.800 3.379 3.312 3.489 . 0 0 "[ . 1 ]" 3
1805 2 58 THR HA 2 61 ASN HB3 2.900 . 3.400 3.488 3.447 3.614 0.214 11 0 "[ . 1 ]" 3
1806 2 58 THR HA 2 61 ASN HB2 2.900 . 3.400 2.332 2.267 2.402 . 0 0 "[ . 1 ]" 3
1807 2 58 THR HA 2 62 ASN H 3.900 . 4.400 4.223 4.112 4.307 . 0 0 "[ . 1 ]" 3
1808 2 58 THR HB 2 59 GLU H 3.200 . 3.700 2.546 2.469 2.623 . 0 0 "[ . 1 ]" 3
1809 2 58 THR HB 2 60 GLU H 4.300 . 4.800 4.773 4.717 4.814 0.014 7 0 "[ . 1 ]" 3
1810 2 58 THR MG 2 59 GLU H 4.500 . 5.000 3.118 2.774 3.865 . 0 0 "[ . 1 ]" 3
1811 2 58 THR MG 2 61 ASN H 4.500 . 5.000 4.784 4.669 4.967 . 0 0 "[ . 1 ]" 3
1812 2 58 THR MG 2 62 ASN H 4.500 . 5.000 4.352 4.189 4.684 . 0 0 "[ . 1 ]" 3
1813 2 58 THR MG 2 62 ASN HD21 3.500 . 4.000 2.521 2.181 2.926 . 0 0 "[ . 1 ]" 3
1814 2 58 THR MG 2 62 ASN HD22 3.500 . 4.000 2.831 2.537 3.284 . 0 0 "[ . 1 ]" 3
1815 2 59 GLU H 2 59 GLU HA 2.800 . 3.300 2.871 2.857 2.886 . 0 0 "[ . 1 ]" 3
1816 2 59 GLU H 2 59 GLU QB 2.600 . 3.100 2.172 1.934 2.297 . 0 0 "[ . 1 ]" 3
1817 2 59 GLU H 2 59 GLU HG3 4.500 . 5.000 3.176 2.225 4.516 . 0 0 "[ . 1 ]" 3
1818 2 59 GLU H 2 59 GLU HG2 4.500 . 5.000 3.494 2.336 4.443 . 0 0 "[ . 1 ]" 3
1819 2 59 GLU H 2 62 ASN QD 4.500 . 5.000 4.435 4.266 4.528 . 0 0 "[ . 1 ]" 3
1820 2 59 GLU HA 2 60 GLU H 3.000 . 3.500 3.529 3.525 3.535 0.035 12 0 "[ . 1 ]" 3
1821 2 59 GLU HA 2 62 ASN H 3.000 . 3.500 3.493 3.445 3.528 0.028 10 0 "[ . 1 ]" 3
1822 2 59 GLU HA 2 62 ASN HB3 3.000 . 3.500 3.637 3.612 3.673 0.173 12 0 "[ . 1 ]" 3
1823 2 59 GLU HA 2 62 ASN HB2 3.000 . 3.500 2.358 2.332 2.382 . 0 0 "[ . 1 ]" 3
1824 2 59 GLU HA 2 62 ASN HD21 4.000 . 4.500 3.378 3.203 3.626 . 0 0 "[ . 1 ]" 3
1825 2 59 GLU HA 2 62 ASN HD22 4.000 . 4.500 4.476 4.380 4.530 0.030 11 0 "[ . 1 ]" 3
1826 2 59 GLU HG3 2 60 GLU H 4.500 . 5.000 4.632 3.974 5.008 0.008 13 0 "[ . 1 ]" 3
1827 2 59 GLU HG2 2 60 GLU H 4.500 . 5.000 4.603 3.888 5.031 0.031 5 0 "[ . 1 ]" 3
1828 2 60 GLU H 2 60 GLU HA 2.700 . 3.200 2.904 2.897 2.914 . 0 0 "[ . 1 ]" 3
1829 2 60 GLU H 2 60 GLU HB3 3.000 . 3.500 3.355 3.286 3.469 . 0 0 "[ . 1 ]" 3
1830 2 60 GLU H 2 60 GLU HB2 3.000 . 3.500 2.001 1.958 2.125 . 0 0 "[ . 1 ]" 3
1831 2 60 GLU H 2 60 GLU HG3 4.000 . 4.500 3.532 3.132 4.062 . 0 0 "[ . 1 ]" 3
1832 2 60 GLU H 2 60 GLU HG2 4.000 . 4.500 3.538 2.812 4.267 . 0 0 "[ . 1 ]" 3
1833 2 60 GLU H 2 61 ASN H 3.200 . 3.700 2.608 2.574 2.631 . 0 0 "[ . 1 ]" 3
1834 2 60 GLU H 2 61 ASN QD 4.500 . 5.000 5.135 4.361 5.512 0.512 5 1 "[ + 1 ]" 3
1835 2 60 GLU H 2 62 ASN QD 4.500 . 5.000 4.959 4.764 5.042 0.042 1 0 "[ . 1 ]" 3
1836 2 60 GLU HA 2 61 ASN H 3.200 . 3.700 3.574 3.567 3.579 . 0 0 "[ . 1 ]" 3
1837 2 60 GLU HA 2 62 ASN H 3.600 . 4.100 3.885 3.812 3.914 . 0 0 "[ . 1 ]" 3
1838 2 60 GLU HA 2 63 ARG QG 4.500 . 5.000 4.691 4.355 4.876 . 0 0 "[ . 1 ]" 3
1839 2 60 GLU HB3 2 61 ASN H 3.500 . 4.000 2.867 2.759 3.028 . 0 0 "[ . 1 ]" 3
1840 2 60 GLU HB3 2 62 ASN H 4.200 . 4.700 4.802 4.739 4.909 0.209 11 0 "[ . 1 ]" 3
1841 2 60 GLU QB 2 63 ARG H 4.000 2.800 4.500 4.582 4.530 4.608 0.108 10 0 "[ . 1 ]" 3
1842 2 60 GLU HB2 2 61 ASN H 3.500 . 4.000 2.637 2.378 2.761 . 0 0 "[ . 1 ]" 3
1843 2 60 GLU QB 2 61 ASN QD 3.500 . 4.000 4.202 3.316 4.643 0.643 7 5 "[ **-+* 1 ]" 3
1844 2 60 GLU HB2 2 62 ASN H 4.200 . 4.700 4.705 4.569 4.774 0.074 1 0 "[ . 1 ]" 3
1845 2 61 ASN H 2 61 ASN HB3 3.300 . 3.800 3.322 3.264 3.407 . 0 0 "[ . 1 ]" 3
1846 2 61 ASN H 2 61 ASN HB2 3.300 . 3.800 1.967 1.940 2.032 . 0 0 "[ . 1 ]" 3
1847 2 61 ASN H 2 61 ASN HD21 4.500 . 5.000 3.311 2.501 3.723 . 0 0 "[ . 1 ]" 3
1848 2 61 ASN H 2 61 ASN HD22 4.500 . 5.000 4.521 3.961 4.780 . 0 0 "[ . 1 ]" 3
1849 2 61 ASN H 2 62 ASN H 3.400 . 3.900 2.668 2.642 2.690 . 0 0 "[ . 1 ]" 3
1850 2 61 ASN H 2 62 ASN QB 4.500 . 5.000 4.255 4.210 4.328 . 0 0 "[ . 1 ]" 3
1851 2 61 ASN HA 2 61 ASN HB3 2.800 . 3.300 2.806 2.736 2.850 . 0 0 "[ . 1 ]" 3
1852 2 61 ASN HA 2 61 ASN HB2 2.800 . 3.300 2.922 2.888 2.973 . 0 0 "[ . 1 ]" 3
1853 2 61 ASN HA 2 62 ASN H 3.300 . 3.800 3.492 3.482 3.497 . 0 0 "[ . 1 ]" 3
1854 2 61 ASN HB3 2 62 ASN H 3.900 . 4.400 3.286 3.198 3.410 . 0 0 "[ . 1 ]" 3
1855 2 61 ASN HB2 2 62 ASN H 3.900 . 4.400 3.112 2.935 3.204 . 0 0 "[ . 1 ]" 3
1856 2 61 ASN QD 2 62 ASN QD 4.500 . 5.000 5.351 5.105 5.531 0.531 3 2 "[- + . 1 ]" 3
1857 2 62 ASN H 2 62 ASN HA 2.800 . 3.300 2.915 2.903 2.932 . 0 0 "[ . 1 ]" 3
1858 2 62 ASN H 2 62 ASN HB3 3.000 . 3.500 3.329 3.303 3.386 . 0 0 "[ . 1 ]" 3
1859 2 62 ASN H 2 62 ASN HB2 3.000 . 3.500 1.969 1.947 2.015 . 0 0 "[ . 1 ]" 3
1860 2 62 ASN H 2 62 ASN QD 4.500 . 5.000 2.696 2.422 2.843 . 0 0 "[ . 1 ]" 3
1861 2 62 ASN H 2 63 ARG H 2.900 . 3.400 2.469 2.424 2.500 . 0 0 "[ . 1 ]" 3
1862 2 62 ASN HA 2 62 ASN HB3 2.700 . 3.200 2.753 2.706 2.774 . 0 0 "[ . 1 ]" 3
1863 2 62 ASN HA 2 62 ASN HB2 2.700 . 3.200 2.957 2.944 2.984 . 0 0 "[ . 1 ]" 3
1864 2 62 ASN HA 2 62 ASN HD21 4.500 . 5.000 3.286 3.087 3.412 . 0 0 "[ . 1 ]" 3
1865 2 62 ASN HA 2 62 ASN HD22 4.500 . 5.000 3.799 3.724 3.872 . 0 0 "[ . 1 ]" 3
1866 2 62 ASN HA 2 63 ARG H 3.100 . 3.600 3.553 3.541 3.567 . 0 0 "[ . 1 ]" 3
1867 2 62 ASN HA 2 65 LYS QB 2.400 . 2.900 2.860 2.594 2.958 0.058 10 0 "[ . 1 ]" 3
1868 2 62 ASN HA 2 65 LYS HD3 4.500 . 5.000 3.668 2.295 4.550 . 0 0 "[ . 1 ]" 3
1869 2 62 ASN HA 2 65 LYS HD2 4.500 . 5.000 3.802 3.084 4.353 . 0 0 "[ . 1 ]" 3
1870 2 62 ASN HA 2 66 ALA H 4.100 . 4.600 4.593 4.431 4.664 0.064 12 0 "[ . 1 ]" 3
1871 2 62 ASN HB3 2 62 ASN HD22 4.000 . 4.500 4.097 4.082 4.117 . 0 0 "[ . 1 ]" 3
1872 2 62 ASN HB2 2 62 ASN HD22 4.000 . 4.500 3.576 3.550 3.623 . 0 0 "[ . 1 ]" 3
1873 2 62 ASN HB3 2 63 ARG H 3.300 . 3.800 3.185 3.088 3.272 . 0 0 "[ . 1 ]" 3
1874 2 62 ASN HB2 2 63 ARG H 3.300 . 3.800 2.866 2.711 2.955 . 0 0 "[ . 1 ]" 3
1875 2 63 ARG H 2 63 ARG HA 2.500 . 3.000 2.927 2.894 2.940 . 0 0 "[ . 1 ]" 3
1876 2 63 ARG H 2 63 ARG HB3 4.000 . 4.500 2.614 2.388 2.795 . 0 0 "[ . 1 ]" 3
1877 2 63 ARG H 2 63 ARG HB2 2.900 . 3.400 2.316 2.158 2.482 . 0 0 "[ . 1 ]" 3
1878 2 63 ARG H 2 63 ARG QG 4.500 . 5.000 3.922 3.832 3.978 . 0 0 "[ . 1 ]" 3
1879 2 63 ARG H 2 63 ARG QD 4.500 . 5.000 4.207 3.868 4.377 . 0 0 "[ . 1 ]" 3
1880 2 63 ARG H 2 64 LEU H 3.100 . 3.600 2.643 2.548 2.795 . 0 0 "[ . 1 ]" 3
1881 2 63 ARG H 2 65 LYS H 3.700 . 4.200 3.780 3.660 4.011 . 0 0 "[ . 1 ]" 3
1882 2 63 ARG HA 2 64 LEU H 3.400 . 3.900 3.589 3.583 3.599 . 0 0 "[ . 1 ]" 3
1883 2 63 ARG HA 2 66 ALA H 3.300 . 3.800 3.184 3.072 3.404 . 0 0 "[ . 1 ]" 3
1884 2 63 ARG HA 2 66 ALA MB 4.500 . 5.000 2.708 2.488 3.019 . 0 0 "[ . 1 ]" 3
1885 2 63 ARG QB 2 64 LEU H 3.000 . 3.500 2.102 1.974 2.235 . 0 0 "[ . 1 ]" 3
1886 2 63 ARG QB 2 64 LEU MD1 4.500 . 5.000 4.690 3.412 5.236 0.236 9 0 "[ . 1 ]" 3
1887 2 63 ARG QB 2 64 LEU MD2 4.500 . 5.000 5.142 4.161 5.611 0.611 5 2 "[ + - ]" 3
1888 2 63 ARG QB 2 65 LYS H 4.000 2.900 4.500 4.308 4.170 4.482 . 0 0 "[ . 1 ]" 3
1889 2 63 ARG QB 2 66 ALA H 4.000 . 4.500 4.690 4.648 4.779 0.279 7 0 "[ . 1 ]" 3
1890 2 63 ARG QG 2 64 LEU H 4.500 . 5.000 3.572 3.109 3.942 . 0 0 "[ . 1 ]" 3
1891 2 63 ARG QG 2 65 LYS H 4.500 . 5.000 5.051 5.001 5.083 0.083 11 0 "[ . 1 ]" 3
1892 2 63 ARG QG 2 67 LEU H 4.500 . 5.000 4.260 3.387 4.803 . 0 0 "[ . 1 ]" 3
1893 2 64 LEU H 2 64 LEU HB3 3.600 . 4.100 2.964 2.389 3.538 . 0 0 "[ . 1 ]" 3
1894 2 64 LEU H 2 64 LEU HB2 3.500 . 4.000 2.255 1.955 2.475 . 0 0 "[ . 1 ]" 3
1895 2 64 LEU H 2 64 LEU MD1 4.500 . 5.000 3.691 2.533 4.145 . 0 0 "[ . 1 ]" 3
1896 2 64 LEU H 2 64 LEU MD2 4.500 . 5.000 3.977 3.462 4.230 . 0 0 "[ . 1 ]" 3
1897 2 64 LEU H 2 65 LYS H 3.000 . 3.500 2.809 2.754 2.876 . 0 0 "[ . 1 ]" 3
1898 2 64 LEU H 2 66 ALA H 4.500 . 5.000 4.225 4.113 4.295 . 0 0 "[ . 1 ]" 3
1899 2 64 LEU HA 2 64 LEU MD1 4.500 . 5.000 3.458 2.182 3.843 . 0 0 "[ . 1 ]" 3
1900 2 64 LEU HA 2 64 LEU MD2 4.500 . 5.000 2.835 2.007 3.897 . 0 0 "[ . 1 ]" 3
1901 2 64 LEU HA 2 65 LYS H 3.100 . 3.600 3.527 3.500 3.569 . 0 0 "[ . 1 ]" 3
1902 2 64 LEU MD1 2 65 LYS H 4.500 . 5.000 4.660 3.998 4.908 . 0 0 "[ . 1 ]" 3
1903 2 64 LEU QD 2 65 LYS QE 4.500 . 5.000 6.583 5.522 7.542 2.542 3 13 [**+*****-****] 3
1904 2 64 LEU QD 2 66 ALA H 4.500 . 5.000 5.066 4.547 5.392 0.392 10 0 "[ . 1 ]" 3
1905 2 64 LEU QD 2 67 LEU H 4.500 . 5.000 4.586 3.930 5.021 0.021 12 0 "[ . 1 ]" 3
1906 2 64 LEU MD2 2 65 LYS H 4.500 . 5.000 3.959 2.797 4.756 . 0 0 "[ . 1 ]" 3
1907 2 65 LYS H 2 65 LYS HA 2.400 . 2.900 2.898 2.823 2.922 0.022 4 0 "[ . 1 ]" 3
1908 2 65 LYS H 2 65 LYS QB 2.500 . 3.000 2.141 2.020 2.186 . 0 0 "[ . 1 ]" 3
1909 2 65 LYS H 2 65 LYS HD3 4.500 . 5.000 4.691 3.787 5.042 0.042 12 0 "[ . 1 ]" 3
1910 2 65 LYS H 2 65 LYS HD2 4.500 . 5.000 4.693 4.240 4.996 . 0 0 "[ . 1 ]" 3
1911 2 65 LYS H 2 66 ALA H 3.100 . 3.600 2.526 2.437 2.742 . 0 0 "[ . 1 ]" 3
1912 2 65 LYS HA 2 65 LYS QB 2.500 . 3.000 2.393 2.335 2.522 . 0 0 "[ . 1 ]" 3
1913 2 65 LYS HA 2 65 LYS QD 4.500 . 5.000 4.014 3.782 4.105 . 0 0 "[ . 1 ]" 3
1914 2 65 LYS HA 2 66 ALA H 3.400 . 3.900 3.555 3.543 3.569 . 0 0 "[ . 1 ]" 3
1915 2 65 LYS HA 2 68 LEU H 4.500 . 5.000 4.060 3.802 4.651 . 0 0 "[ . 1 ]" 3
1916 2 65 LYS HA 2 69 LEU H 4.500 . 5.000 4.111 3.824 4.336 . 0 0 "[ . 1 ]" 3
1917 2 65 LYS QB 2 66 ALA H 2.700 . 3.200 2.602 2.511 2.780 . 0 0 "[ . 1 ]" 3
1918 2 65 LYS QD 2 66 ALA H 4.500 . 5.000 4.354 3.478 5.007 0.007 12 0 "[ . 1 ]" 3
1919 2 66 ALA H 2 66 ALA HA 2.500 . 3.000 2.972 2.954 2.990 . 0 0 "[ . 1 ]" 3
1920 2 66 ALA H 2 66 ALA MB 1.900 . 2.400 2.094 1.987 2.289 . 0 0 "[ . 1 ]" 3
1921 2 66 ALA H 2 67 LEU H 2.800 . 3.300 2.419 2.289 2.594 . 0 0 "[ . 1 ]" 3
1922 2 66 ALA HA 2 67 LEU H 4.500 . 5.000 3.368 3.152 3.596 . 0 0 "[ . 1 ]" 3
1923 2 66 ALA HA 2 69 LEU H 3.000 . 3.500 3.585 3.540 3.681 0.181 7 0 "[ . 1 ]" 3
1924 2 66 ALA HA 2 70 GLU H 4.000 . 4.500 3.929 3.096 4.557 0.057 12 0 "[ . 1 ]" 3
1925 2 66 ALA MB 2 67 LEU H 4.500 . 5.000 3.147 2.320 3.455 . 0 0 "[ . 1 ]" 3
1926 2 66 ALA MB 2 68 LEU H 4.500 . 5.000 4.679 4.238 4.924 . 0 0 "[ . 1 ]" 3
1927 2 66 ALA MB 2 69 LEU H 4.500 . 5.000 4.875 4.725 4.953 . 0 0 "[ . 1 ]" 3
1928 2 67 LEU H 2 67 LEU HB3 3.500 . 4.000 2.793 2.467 3.186 . 0 0 "[ . 1 ]" 3
1929 2 67 LEU H 2 67 LEU HB2 3.500 . 4.000 2.308 2.044 2.613 . 0 0 "[ . 1 ]" 3
1930 2 67 LEU H 2 67 LEU QD 4.500 . 5.000 3.580 3.106 3.797 . 0 0 "[ . 1 ]" 3
1931 2 67 LEU H 2 68 LEU H 2.500 . 3.000 2.278 1.993 2.874 . 0 0 "[ . 1 ]" 3
1932 2 67 LEU H 2 68 LEU QB 4.500 . 5.000 4.356 4.018 5.155 0.155 7 0 "[ . 1 ]" 3
1933 2 67 LEU H 2 69 LEU H 4.500 . 5.000 3.703 3.145 4.619 . 0 0 "[ . 1 ]" 3
1934 2 67 LEU HA 2 67 LEU QB 2.100 . 2.600 2.488 2.408 2.551 . 0 0 "[ . 1 ]" 3
1935 2 67 LEU HA 2 67 LEU HG 2.200 . 2.700 2.334 2.045 2.689 . 0 0 "[ . 1 ]" 3
1936 2 67 LEU HA 2 68 LEU H 4.000 . 4.500 3.505 3.468 3.567 . 0 0 "[ . 1 ]" 3
1937 2 67 LEU HB3 2 68 LEU H 3.400 . 3.900 2.947 2.504 3.217 . 0 0 "[ . 1 ]" 3
1938 2 67 LEU HB2 2 68 LEU H 3.400 . 3.900 3.675 3.254 3.912 0.012 8 0 "[ . 1 ]" 3
1939 2 67 LEU QD 2 68 LEU H 4.500 . 5.000 4.030 3.612 4.267 . 0 0 "[ . 1 ]" 3
1940 2 68 LEU H 2 68 LEU HA 2.500 . 3.000 2.975 2.913 2.998 . 0 0 "[ . 1 ]" 3
1941 2 68 LEU H 2 68 LEU HB3 3.000 . 3.500 3.537 2.898 3.673 0.173 10 0 "[ . 1 ]" 3
1942 2 68 LEU H 2 68 LEU HB2 3.000 . 3.500 2.611 2.233 3.902 0.402 7 0 "[ . 1 ]" 3
1943 2 68 LEU H 2 68 LEU HG 2.500 . 3.000 2.401 1.909 2.767 . 0 0 "[ . 1 ]" 3
1944 2 68 LEU H 2 68 LEU QD 4.500 . 5.000 3.179 2.931 3.380 . 0 0 "[ . 1 ]" 3
1945 2 68 LEU H 2 69 LEU H 2.800 . 3.300 2.142 1.928 2.545 . 0 0 "[ . 1 ]" 3
1946 2 68 LEU HA 2 68 LEU QB 2.600 . 3.100 2.354 2.191 2.435 . 0 0 "[ . 1 ]" 3
1947 2 68 LEU HA 2 68 LEU HG 3.000 . 3.500 3.070 2.775 3.581 0.081 9 0 "[ . 1 ]" 3
1948 2 68 LEU HA 2 69 LEU H 3.200 . 3.700 3.495 3.052 3.593 . 0 0 "[ . 1 ]" 3
1949 2 68 LEU HA 2 70 GLU H 3.400 . 3.900 4.160 3.932 6.198 2.298 12 1 "[ . 1 + ]" 3
1950 2 68 LEU HA 2 71 ARG H 4.000 . 4.500 3.730 2.886 7.978 3.478 12 1 "[ . 1 + ]" 3
1951 2 68 LEU QB 2 69 LEU H 3.300 . 3.800 2.821 2.217 3.996 0.196 7 0 "[ . 1 ]" 3
1952 2 68 LEU QD 2 69 LEU H 4.500 . 5.000 3.953 2.794 4.231 . 0 0 "[ . 1 ]" 3
1953 2 68 LEU QD 2 70 GLU H 4.500 . 5.000 5.021 4.385 5.259 0.259 12 0 "[ . 1 ]" 3
1954 2 69 LEU H 2 69 LEU HA 2.600 . 3.100 2.898 2.826 2.989 . 0 0 "[ . 1 ]" 3
1955 2 69 LEU H 2 69 LEU HB3 3.500 . 4.000 3.082 2.315 3.646 . 0 0 "[ . 1 ]" 3
1956 2 69 LEU H 2 69 LEU HB2 3.500 . 4.000 2.515 2.407 2.948 . 0 0 "[ . 1 ]" 3
1957 2 69 LEU H 2 69 LEU HG 3.500 . 4.000 3.017 1.927 4.319 0.319 9 0 "[ . 1 ]" 3
1958 2 69 LEU H 2 69 LEU MD1 4.500 . 5.000 3.804 3.307 4.676 . 0 0 "[ . 1 ]" 3
1959 2 69 LEU H 2 69 LEU MD2 4.500 . 5.000 3.605 3.183 4.273 . 0 0 "[ . 1 ]" 3
1960 2 69 LEU H 2 70 GLU H 2.600 . 3.100 2.519 1.948 2.943 . 0 0 "[ . 1 ]" 3
1961 2 69 LEU HA 2 69 LEU HB3 2.900 . 3.400 2.707 2.454 3.035 . 0 0 "[ . 1 ]" 3
1962 2 69 LEU HA 2 69 LEU HB2 2.900 . 3.400 2.796 2.424 3.036 . 0 0 "[ . 1 ]" 3
1963 2 69 LEU HA 2 69 LEU MD1 4.500 . 5.000 3.511 2.888 3.849 . 0 0 "[ . 1 ]" 3
1964 2 69 LEU HA 2 69 LEU MD2 4.500 . 5.000 2.687 1.896 3.810 . 0 0 "[ . 1 ]" 3
1965 2 69 LEU HA 2 70 GLU H 2.900 . 3.400 3.484 3.464 3.530 0.130 2 0 "[ . 1 ]" 3
1966 2 69 LEU HA 2 71 ARG H 4.500 . 5.000 4.423 3.893 5.141 0.141 12 0 "[ . 1 ]" 3
1967 2 69 LEU HB3 2 70 GLU H 3.400 . 3.900 3.351 1.932 4.002 0.102 11 0 "[ . 1 ]" 3
1968 2 69 LEU HB2 2 70 GLU H 3.400 . 3.900 3.301 2.479 4.049 0.149 7 0 "[ . 1 ]" 3
1969 2 69 LEU HG 2 70 GLU H 3.500 . 4.000 4.147 4.050 4.491 0.491 12 0 "[ . 1 ]" 3
1970 2 69 LEU MD1 2 70 GLU H 4.500 . 5.000 4.686 3.773 4.949 . 0 0 "[ . 1 ]" 3
1971 2 69 LEU QD 2 71 ARG H 4.500 . 5.000 5.049 3.785 5.490 0.490 13 0 "[ . 1 ]" 3
1972 2 69 LEU MD2 2 70 GLU H 4.500 . 5.000 4.087 3.231 4.650 . 0 0 "[ . 1 ]" 3
1973 2 70 GLU H 2 70 GLU HA 2.400 . 2.900 2.929 2.881 2.978 0.078 7 0 "[ . 1 ]" 3
1974 2 70 GLU H 2 70 GLU HB3 2.700 . 3.200 2.711 2.357 3.243 0.043 12 0 "[ . 1 ]" 3
1975 2 70 GLU H 2 70 GLU HB2 2.700 . 3.200 2.415 2.033 3.235 0.035 12 0 "[ . 1 ]" 3
1976 2 70 GLU H 2 70 GLU HG3 4.500 . 5.000 4.328 3.833 4.638 . 0 0 "[ . 1 ]" 3
1977 2 70 GLU H 2 70 GLU HG2 4.500 . 5.000 4.501 4.207 4.940 . 0 0 "[ . 1 ]" 3
1978 2 70 GLU H 2 71 ARG H 2.500 . 3.000 2.366 1.925 2.632 . 0 0 "[ . 1 ]" 3
1979 2 70 GLU HA 2 70 GLU HB3 2.600 . 3.100 3.002 2.901 3.035 . 0 0 "[ . 1 ]" 3
1980 2 70 GLU HA 2 70 GLU HB2 2.600 . 3.100 2.610 2.450 2.818 . 0 0 "[ . 1 ]" 3
1981 2 70 GLU HA 2 71 ARG H 3.000 . 3.500 3.527 3.497 3.573 0.073 13 0 "[ . 1 ]" 3
1982 2 70 GLU HB3 2 71 ARG H 3.400 . 3.900 2.789 2.407 3.016 . 0 0 "[ . 1 ]" 3
1983 2 70 GLU HB2 2 71 ARG H 3.400 . 3.900 3.727 3.328 3.905 0.005 6 0 "[ . 1 ]" 3
1984 2 70 GLU QG 2 71 ARG H 4.500 . 5.000 4.081 3.384 4.499 . 0 0 "[ . 1 ]" 3
1985 2 71 ARG H 2 71 ARG HA 2.500 . 3.000 2.970 2.905 3.003 0.003 11 0 "[ . 1 ]" 3
1986 2 71 ARG H 2 71 ARG HB3 4.000 . 4.500 3.182 2.630 3.695 . 0 0 "[ . 1 ]" 3
1987 2 71 ARG H 2 71 ARG HB2 4.000 . 4.500 2.576 2.055 3.999 . 0 0 "[ . 1 ]" 3
1988 2 71 ARG H 2 71 ARG QG 4.500 . 5.000 3.561 2.266 4.189 . 0 0 "[ . 1 ]" 3
1989 2 71 ARG H 2 71 ARG QD 4.500 . 5.000 4.244 3.535 4.804 . 0 0 "[ . 1 ]" 3
1990 2 71 ARG HA 2 71 ARG QD 4.500 . 5.000 3.616 2.792 4.019 . 0 0 "[ . 1 ]" 3
stop_
save_
save_distance_constraint_statistics_4
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 4
_Distance_constraint_stats_list.Constraint_count 116
_Distance_constraint_stats_list.Viol_count 395
_Distance_constraint_stats_list.Viol_total 294.433
_Distance_constraint_stats_list.Viol_max 0.250
_Distance_constraint_stats_list.Viol_rms 0.0384
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0150
_Distance_constraint_stats_list.Viol_average_violations_only 0.0573
_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 CYS 0.000 0.000 . 0 "[ . 1 ]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 ]"
1 7 SER 0.617 0.072 7 0 "[ . 1 ]"
1 9 ARG 0.000 0.000 . 0 "[ . 1 ]"
1 10 LYS 0.000 0.000 . 0 "[ . 1 ]"
1 11 ARG 0.617 0.072 7 0 "[ . 1 ]"
1 22 GLN 0.026 0.017 4 0 "[ . 1 ]"
1 23 LYS 4.725 0.236 13 0 "[ . 1 ]"
1 24 CYS 0.279 0.075 6 0 "[ . 1 ]"
1 26 THR 0.026 0.017 4 0 "[ . 1 ]"
1 27 SER 4.725 0.236 13 0 "[ . 1 ]"
1 28 ASN 0.279 0.075 6 0 "[ . 1 ]"
1 40 ILE 0.037 0.015 1 0 "[ . 1 ]"
1 42 VAL 0.030 0.017 12 0 "[ . 1 ]"
1 44 THR 0.398 0.139 5 0 "[ . 1 ]"
1 45 LYS 0.050 0.050 11 0 "[ . 1 ]"
1 46 TYR 0.240 0.090 5 0 "[ . 1 ]"
1 47 LEU 0.368 0.134 3 0 "[ . 1 ]"
1 48 GLN 0.438 0.139 5 0 "[ . 1 ]"
1 49 GLN 0.066 0.050 11 0 "[ . 1 ]"
1 50 LEU 0.393 0.090 5 0 "[ . 1 ]"
1 51 GLN 0.388 0.134 3 0 "[ . 1 ]"
1 52 LYS 0.040 0.040 1 0 "[ . 1 ]"
1 53 ASP 0.529 0.117 11 0 "[ . 1 ]"
1 54 LEU 0.465 0.091 13 0 "[ . 1 ]"
1 55 ASN 0.320 0.112 5 0 "[ . 1 ]"
1 56 ASP 0.000 0.000 . 0 "[ . 1 ]"
1 57 LYS 0.763 0.117 11 0 "[ . 1 ]"
1 58 THR 0.312 0.091 13 0 "[ . 1 ]"
1 59 GLU 0.301 0.112 5 0 "[ . 1 ]"
1 60 GLU 0.231 0.059 13 0 "[ . 1 ]"
1 61 ASN 0.633 0.070 10 0 "[ . 1 ]"
1 62 ASN 0.704 0.056 12 0 "[ . 1 ]"
1 63 ARG 0.225 0.059 12 0 "[ . 1 ]"
1 64 LEU 0.662 0.132 7 0 "[ . 1 ]"
1 65 LYS 1.169 0.136 11 0 "[ . 1 ]"
1 66 ALA 0.704 0.056 12 0 "[ . 1 ]"
1 67 LEU 0.225 0.059 12 0 "[ . 1 ]"
1 68 LEU 0.431 0.132 7 0 "[ . 1 ]"
1 69 LEU 0.786 0.136 11 0 "[ . 1 ]"
2 5 CYS 0.000 0.000 . 0 "[ . 1 ]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 ]"
2 7 SER 0.774 0.083 4 0 "[ . 1 ]"
2 9 ARG 0.000 0.000 . 0 "[ . 1 ]"
2 10 LYS 0.000 0.000 . 0 "[ . 1 ]"
2 11 ARG 0.774 0.083 4 0 "[ . 1 ]"
2 22 GLN 0.009 0.009 10 0 "[ . 1 ]"
2 23 LYS 4.690 0.250 12 0 "[ . 1 ]"
2 24 CYS 0.610 0.105 13 0 "[ . 1 ]"
2 26 THR 0.009 0.009 10 0 "[ . 1 ]"
2 27 SER 4.690 0.250 12 0 "[ . 1 ]"
2 28 ASN 0.610 0.105 13 0 "[ . 1 ]"
2 40 ILE 0.030 0.017 12 0 "[ . 1 ]"
2 42 VAL 0.037 0.015 1 0 "[ . 1 ]"
2 44 THR 0.406 0.140 5 0 "[ . 1 ]"
2 45 LYS 0.049 0.049 11 0 "[ . 1 ]"
2 46 TYR 0.246 0.092 5 0 "[ . 1 ]"
2 47 LEU 0.362 0.134 3 0 "[ . 1 ]"
2 48 GLN 0.447 0.140 5 0 "[ . 1 ]"
2 49 GLN 0.064 0.049 11 0 "[ . 1 ]"
2 50 LEU 0.400 0.092 5 0 "[ . 1 ]"
2 51 GLN 0.378 0.134 3 0 "[ . 1 ]"
2 52 LYS 0.041 0.041 1 0 "[ . 1 ]"
2 53 ASP 0.530 0.120 11 0 "[ . 1 ]"
2 54 LEU 0.478 0.090 13 0 "[ . 1 ]"
2 55 ASN 0.310 0.111 5 0 "[ . 1 ]"
2 56 ASP 0.000 0.000 . 0 "[ . 1 ]"
2 57 LYS 0.764 0.120 11 0 "[ . 1 ]"
2 58 THR 0.324 0.090 13 0 "[ . 1 ]"
2 59 GLU 0.294 0.111 5 0 "[ . 1 ]"
2 60 GLU 0.230 0.058 13 0 "[ . 1 ]"
2 61 ASN 0.621 0.071 10 0 "[ . 1 ]"
2 62 ASN 0.717 0.058 12 0 "[ . 1 ]"
2 63 ARG 0.224 0.061 12 0 "[ . 1 ]"
2 64 LEU 0.653 0.130 7 0 "[ . 1 ]"
2 65 LYS 1.167 0.137 11 0 "[ . 1 ]"
2 66 ALA 0.717 0.058 12 0 "[ . 1 ]"
2 67 LEU 0.224 0.061 12 0 "[ . 1 ]"
2 68 LEU 0.423 0.130 7 0 "[ . 1 ]"
2 69 LEU 0.795 0.137 11 0 "[ . 1 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 5 CYS O 1 9 ARG H 2.150 . 2.500 2.109 1.906 2.373 . 0 0 "[ . 1 ]" 4
2 2 5 CYS O 2 9 ARG H 2.150 . 2.500 2.234 2.004 2.483 . 0 0 "[ . 1 ]" 4
3 1 5 CYS O 1 9 ARG N 2.900 2.500 3.300 2.855 2.697 3.031 . 0 0 "[ . 1 ]" 4
4 2 5 CYS O 2 9 ARG N 2.900 2.500 3.300 2.965 2.661 3.167 . 0 0 "[ . 1 ]" 4
5 1 6 LEU O 1 10 LYS H 2.150 . 2.500 2.132 1.812 2.464 . 0 0 "[ . 1 ]" 4
6 2 6 LEU O 2 10 LYS H 2.150 . 2.500 2.166 1.969 2.360 . 0 0 "[ . 1 ]" 4
7 1 6 LEU O 1 10 LYS N 2.900 2.500 3.300 3.034 2.715 3.251 . 0 0 "[ . 1 ]" 4
8 2 6 LEU O 2 10 LYS N 2.900 2.500 3.300 3.069 2.896 3.251 . 0 0 "[ . 1 ]" 4
9 1 7 SER O 1 11 ARG H 2.150 . 2.500 2.409 2.058 2.549 0.049 7 0 "[ . 1 ]" 4
10 2 7 SER O 2 11 ARG H 2.150 . 2.500 2.447 2.372 2.548 0.048 11 0 "[ . 1 ]" 4
11 1 7 SER O 1 11 ARG N 2.900 2.500 3.300 3.290 2.958 3.372 0.072 7 0 "[ . 1 ]" 4
12 2 7 SER O 2 11 ARG N 2.900 2.500 3.300 3.347 3.307 3.383 0.083 4 0 "[ . 1 ]" 4
13 1 22 GLN O 1 26 THR H 2.150 . 2.500 1.907 1.783 2.041 0.017 4 0 "[ . 1 ]" 4
14 2 22 GLN O 2 26 THR H 2.150 . 2.500 1.910 1.791 2.017 0.009 10 0 "[ . 1 ]" 4
15 1 22 GLN O 1 26 THR N 2.900 2.500 3.300 2.803 2.694 2.916 . 0 0 "[ . 1 ]" 4
16 2 22 GLN O 2 26 THR N 2.900 2.500 3.300 2.799 2.697 2.878 . 0 0 "[ . 1 ]" 4
17 1 23 LYS O 1 27 SER H 2.150 . 2.500 2.681 2.652 2.701 0.201 10 0 "[ . 1 ]" 4
18 2 23 LYS O 2 27 SER H 2.150 . 2.500 2.686 2.666 2.708 0.208 12 0 "[ . 1 ]" 4
19 1 23 LYS O 1 27 SER N 2.900 2.500 3.300 3.482 3.388 3.536 0.236 13 0 "[ . 1 ]" 4
20 2 23 LYS O 2 27 SER N 2.900 2.500 3.300 3.475 3.405 3.550 0.250 12 0 "[ . 1 ]" 4
21 1 24 CYS O 1 28 ASN H 2.150 . 2.500 2.521 2.491 2.575 0.075 6 0 "[ . 1 ]" 4
22 2 24 CYS O 2 28 ASN H 2.150 . 2.500 2.474 1.695 2.587 0.105 13 0 "[ . 1 ]" 4
23 1 24 CYS O 1 28 ASN N 2.900 2.500 3.300 2.840 2.640 2.942 . 0 0 "[ . 1 ]" 4
24 2 24 CYS O 2 28 ASN N 2.900 2.500 3.300 2.808 2.464 2.989 0.036 13 0 "[ . 1 ]" 4
25 1 40 ILE O 2 42 VAL H 2.150 . 2.500 2.368 2.099 2.513 0.013 5 0 "[ . 1 ]" 4
26 1 42 VAL H 2 40 ILE O 2.150 . 2.500 2.365 2.106 2.517 0.017 12 0 "[ . 1 ]" 4
27 1 40 ILE O 2 42 VAL N 2.900 2.500 3.300 3.165 2.876 3.315 0.015 1 0 "[ . 1 ]" 4
28 1 42 VAL N 2 40 ILE O 2.900 2.500 3.300 3.163 2.885 3.313 0.013 1 0 "[ . 1 ]" 4
29 1 44 THR O 1 48 GLN H 2.150 . 2.500 1.879 1.661 2.241 0.139 5 0 "[ . 1 ]" 4
30 2 44 THR O 2 48 GLN H 2.150 . 2.500 1.878 1.660 2.239 0.140 5 0 "[ . 1 ]" 4
31 1 44 THR O 1 48 GLN N 2.900 2.500 3.300 2.812 2.635 3.200 . 0 0 "[ . 1 ]" 4
32 2 44 THR O 2 48 GLN N 2.900 2.500 3.300 2.811 2.633 3.198 . 0 0 "[ . 1 ]" 4
33 1 45 LYS O 1 49 GLN H 2.150 . 2.500 2.022 1.750 2.192 0.050 11 0 "[ . 1 ]" 4
34 2 45 LYS O 2 49 GLN H 2.150 . 2.500 2.022 1.751 2.194 0.049 11 0 "[ . 1 ]" 4
35 1 45 LYS O 1 49 GLN N 2.900 2.500 3.300 2.971 2.692 3.152 . 0 0 "[ . 1 ]" 4
36 2 45 LYS O 2 49 GLN N 2.900 2.500 3.300 2.970 2.693 3.154 . 0 0 "[ . 1 ]" 4
37 1 46 TYR O 1 50 LEU H 2.150 . 2.500 2.278 1.851 2.555 0.055 5 0 "[ . 1 ]" 4
38 2 46 TYR O 2 50 LEU H 2.150 . 2.500 2.279 1.849 2.560 0.060 5 0 "[ . 1 ]" 4
39 1 46 TYR O 1 50 LEU N 2.900 2.500 3.300 3.106 2.692 3.390 0.090 5 0 "[ . 1 ]" 4
40 2 46 TYR O 2 50 LEU N 2.900 2.500 3.300 3.106 2.692 3.392 0.092 5 0 "[ . 1 ]" 4
41 1 47 LEU O 1 51 GLN H 2.150 . 2.500 2.213 2.023 2.560 0.060 5 0 "[ . 1 ]" 4
42 2 47 LEU O 2 51 GLN H 2.150 . 2.500 2.213 2.030 2.560 0.060 5 0 "[ . 1 ]" 4
43 1 47 LEU O 1 51 GLN N 2.900 2.500 3.300 3.098 2.899 3.434 0.134 3 0 "[ . 1 ]" 4
44 2 47 LEU O 2 51 GLN N 2.900 2.500 3.300 3.097 2.896 3.434 0.134 3 0 "[ . 1 ]" 4
45 1 47 LEU O 1 51 GLN QE 2.150 . 2.500 2.063 1.727 2.485 0.073 11 0 "[ . 1 ]" 4
46 2 47 LEU O 2 51 GLN QE 2.150 . 2.500 2.063 1.727 2.476 0.073 11 0 "[ . 1 ]" 4
47 1 47 LEU O 1 51 GLN NE2 2.900 2.500 3.300 2.818 2.528 3.348 0.048 5 0 "[ . 1 ]" 4
48 2 47 LEU O 2 51 GLN NE2 2.900 2.500 3.300 2.817 2.526 3.342 0.042 5 0 "[ . 1 ]" 4
49 1 48 GLN O 1 52 LYS H 2.150 . 2.500 2.023 1.760 2.355 0.040 1 0 "[ . 1 ]" 4
50 2 48 GLN O 2 52 LYS H 2.150 . 2.500 2.022 1.759 2.356 0.041 1 0 "[ . 1 ]" 4
51 1 48 GLN O 1 52 LYS N 2.900 2.500 3.300 2.977 2.697 3.257 . 0 0 "[ . 1 ]" 4
52 2 48 GLN O 2 52 LYS N 2.900 2.500 3.300 2.977 2.696 3.259 . 0 0 "[ . 1 ]" 4
53 1 49 GLN O 1 53 ASP H 2.150 . 2.500 2.195 1.840 2.505 0.005 12 0 "[ . 1 ]" 4
54 2 49 GLN O 2 53 ASP H 2.150 . 2.500 2.196 1.838 2.503 0.003 12 0 "[ . 1 ]" 4
55 1 49 GLN O 1 53 ASP N 2.900 2.500 3.300 3.064 2.707 3.306 0.006 11 0 "[ . 1 ]" 4
56 2 49 GLN O 2 53 ASP N 2.900 2.500 3.300 3.065 2.705 3.310 0.010 11 0 "[ . 1 ]" 4
57 1 50 LEU O 1 54 LEU H 2.150 . 2.500 2.309 1.999 2.536 0.036 5 0 "[ . 1 ]" 4
58 2 50 LEU O 2 54 LEU H 2.150 . 2.500 2.309 2.000 2.533 0.033 5 0 "[ . 1 ]" 4
59 1 50 LEU O 1 54 LEU N 2.900 2.500 3.300 3.178 2.883 3.356 0.056 13 0 "[ . 1 ]" 4
60 2 50 LEU O 2 54 LEU N 2.900 2.500 3.300 3.179 2.892 3.358 0.058 13 0 "[ . 1 ]" 4
61 1 51 GLN O 1 55 ASN H 2.150 . 2.500 2.250 1.815 2.441 . 0 0 "[ . 1 ]" 4
62 2 51 GLN O 2 55 ASN H 2.150 . 2.500 2.250 1.818 2.440 . 0 0 "[ . 1 ]" 4
63 1 51 GLN O 1 55 ASN N 2.900 2.500 3.300 3.154 2.750 3.318 0.018 5 0 "[ . 1 ]" 4
64 2 51 GLN O 2 55 ASN N 2.900 2.500 3.300 3.155 2.754 3.314 0.014 5 0 "[ . 1 ]" 4
65 1 52 LYS O 1 56 ASP H 2.150 . 2.500 1.942 1.852 2.015 . 0 0 "[ . 1 ]" 4
66 2 52 LYS O 2 56 ASP H 2.150 . 2.500 1.943 1.853 2.017 . 0 0 "[ . 1 ]" 4
67 1 52 LYS O 1 56 ASP N 2.900 2.500 3.300 2.812 2.754 2.883 . 0 0 "[ . 1 ]" 4
68 2 52 LYS O 2 56 ASP N 2.900 2.500 3.300 2.813 2.757 2.883 . 0 0 "[ . 1 ]" 4
69 1 53 ASP O 1 57 LYS H 2.150 . 2.500 2.525 2.315 2.617 0.117 11 0 "[ . 1 ]" 4
70 2 53 ASP O 2 57 LYS H 2.150 . 2.500 2.524 2.309 2.620 0.120 11 0 "[ . 1 ]" 4
71 1 53 ASP O 1 57 LYS N 2.900 2.500 3.300 3.178 3.080 3.262 . 0 0 "[ . 1 ]" 4
72 2 53 ASP O 2 57 LYS N 2.900 2.500 3.300 3.177 3.074 3.263 . 0 0 "[ . 1 ]" 4
73 1 54 LEU O 1 58 THR H 2.150 . 2.500 2.451 2.191 2.536 0.036 13 0 "[ . 1 ]" 4
74 2 54 LEU O 2 58 THR H 2.150 . 2.500 2.452 2.191 2.538 0.038 13 0 "[ . 1 ]" 4
75 1 54 LEU O 1 58 THR N 2.900 2.500 3.300 3.263 3.000 3.391 0.091 13 0 "[ . 1 ]" 4
76 2 54 LEU O 2 58 THR N 2.900 2.500 3.300 3.264 3.000 3.390 0.090 13 0 "[ . 1 ]" 4
77 1 55 ASN O 1 59 GLU H 2.150 . 2.500 1.832 1.688 2.015 0.112 5 0 "[ . 1 ]" 4
78 2 55 ASN O 2 59 GLU H 2.150 . 2.500 1.832 1.689 2.015 0.111 5 0 "[ . 1 ]" 4
79 1 55 ASN O 1 59 GLU N 2.900 2.500 3.300 2.788 2.619 2.969 . 0 0 "[ . 1 ]" 4
80 2 55 ASN O 2 59 GLU N 2.900 2.500 3.300 2.789 2.620 2.971 . 0 0 "[ . 1 ]" 4
81 1 56 ASP O 1 60 GLU H 2.150 . 2.500 2.128 1.926 2.254 . 0 0 "[ . 1 ]" 4
82 2 56 ASP O 2 60 GLU H 2.150 . 2.500 2.129 1.928 2.253 . 0 0 "[ . 1 ]" 4
83 1 56 ASP O 1 60 GLU N 2.900 2.500 3.300 2.957 2.743 3.084 . 0 0 "[ . 1 ]" 4
84 2 56 ASP O 2 60 GLU N 2.900 2.500 3.300 2.958 2.744 3.084 . 0 0 "[ . 1 ]" 4
85 1 57 LYS O 1 61 ASN H 2.150 . 2.500 1.916 1.732 2.203 0.068 12 0 "[ . 1 ]" 4
86 2 57 LYS O 2 61 ASN H 2.150 . 2.500 1.917 1.733 2.207 0.067 12 0 "[ . 1 ]" 4
87 1 57 LYS O 1 61 ASN N 2.900 2.500 3.300 2.856 2.667 3.124 . 0 0 "[ . 1 ]" 4
88 2 57 LYS O 2 61 ASN N 2.900 2.500 3.300 2.857 2.667 3.127 . 0 0 "[ . 1 ]" 4
89 1 58 THR O 1 62 ASN H 2.150 . 2.500 2.132 2.062 2.253 . 0 0 "[ . 1 ]" 4
90 2 58 THR O 2 62 ASN H 2.150 . 2.500 2.132 2.064 2.256 . 0 0 "[ . 1 ]" 4
91 1 58 THR O 1 62 ASN N 2.900 2.500 3.300 2.899 2.836 2.993 . 0 0 "[ . 1 ]" 4
92 2 58 THR O 2 62 ASN N 2.900 2.500 3.300 2.900 2.835 2.995 . 0 0 "[ . 1 ]" 4
93 1 59 GLU O 1 63 ARG H 2.150 . 2.500 2.214 1.989 2.388 . 0 0 "[ . 1 ]" 4
94 2 59 GLU O 2 63 ARG H 2.150 . 2.500 2.213 1.989 2.386 . 0 0 "[ . 1 ]" 4
95 1 59 GLU O 1 63 ARG N 2.900 2.500 3.300 3.047 2.872 3.184 . 0 0 "[ . 1 ]" 4
96 2 59 GLU O 2 63 ARG N 2.900 2.500 3.300 3.046 2.873 3.181 . 0 0 "[ . 1 ]" 4
97 1 60 GLU O 1 64 LEU H 2.150 . 2.500 1.821 1.741 2.095 0.059 13 0 "[ . 1 ]" 4
98 2 60 GLU O 2 64 LEU H 2.150 . 2.500 1.821 1.742 2.096 0.058 13 0 "[ . 1 ]" 4
99 1 60 GLU O 1 64 LEU N 2.900 2.500 3.300 2.712 2.581 3.016 . 0 0 "[ . 1 ]" 4
100 2 60 GLU O 2 64 LEU N 2.900 2.500 3.300 2.711 2.581 3.015 . 0 0 "[ . 1 ]" 4
101 1 61 ASN O 1 65 LYS H 2.150 . 2.500 2.507 2.438 2.570 0.070 10 0 "[ . 1 ]" 4
102 2 61 ASN O 2 65 LYS H 2.150 . 2.500 2.506 2.437 2.571 0.071 10 0 "[ . 1 ]" 4
103 1 61 ASN O 1 65 LYS N 2.900 2.500 3.300 3.281 3.171 3.368 0.068 11 0 "[ . 1 ]" 4
104 2 61 ASN O 2 65 LYS N 2.900 2.500 3.300 3.281 3.172 3.363 0.063 11 0 "[ . 1 ]" 4
105 1 62 ASN O 1 66 ALA H 2.150 . 2.500 2.517 2.447 2.556 0.056 12 0 "[ . 1 ]" 4
106 2 62 ASN O 2 66 ALA H 2.150 . 2.500 2.518 2.448 2.558 0.058 12 0 "[ . 1 ]" 4
107 1 62 ASN O 1 66 ALA N 2.900 2.500 3.300 3.330 3.259 3.351 0.051 13 0 "[ . 1 ]" 4
108 2 62 ASN O 2 66 ALA N 2.900 2.500 3.300 3.330 3.261 3.350 0.050 1 0 "[ . 1 ]" 4
109 1 63 ARG O 1 67 LEU H 2.150 . 2.500 1.906 1.741 2.245 0.059 12 0 "[ . 1 ]" 4
110 2 63 ARG O 2 67 LEU H 2.150 . 2.500 1.907 1.739 2.245 0.061 12 0 "[ . 1 ]" 4
111 1 63 ARG O 1 67 LEU N 2.900 2.500 3.300 2.561 2.500 2.694 . 0 0 "[ . 1 ]" 4
112 2 63 ARG O 2 67 LEU N 2.900 2.500 3.300 2.562 2.504 2.692 . 0 0 "[ . 1 ]" 4
113 1 64 LEU O 1 68 LEU N 2.900 2.500 3.300 3.298 2.869 3.432 0.132 7 0 "[ . 1 ]" 4
114 2 64 LEU O 2 68 LEU N 2.900 2.500 3.300 3.297 2.868 3.430 0.130 7 0 "[ . 1 ]" 4
115 1 65 LYS O 1 69 LEU N 2.900 2.500 3.300 3.360 3.318 3.436 0.136 11 0 "[ . 1 ]" 4
116 2 65 LYS O 2 69 LEU N 2.900 2.500 3.300 3.361 3.319 3.437 0.137 11 0 "[ . 1 ]" 4
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