NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
638781 |
6k4v   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6k4v
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 55
_Distance_constraint_stats_list.Viol_count 23
_Distance_constraint_stats_list.Viol_total 21.452
_Distance_constraint_stats_list.Viol_max 0.307
_Distance_constraint_stats_list.Viol_rms 0.0259
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0039
_Distance_constraint_stats_list.Viol_average_violations_only 0.0933
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 ARG 0.000 0.000 . 0 "[ . 1]"
1 3 GLN 0.000 0.000 . 0 "[ . 1]"
1 5 ARG 0.608 0.261 9 0 "[ . 1]"
1 9 ARG 0.528 0.197 1 0 "[ . 1]"
1 10 ALA 0.528 0.197 1 0 "[ . 1]"
1 11 SER 0.768 0.197 1 0 "[ . 1]"
1 12 PHE 0.666 0.219 8 0 "[ . 1]"
1 13 PHE 0.666 0.219 8 0 "[ . 1]"
1 14 LYS 0.329 0.307 3 0 "[ . 1]"
1 15 GLY 0.000 0.000 . 0 "[ . 1]"
1 16 GLY 0.000 0.000 . 0 "[ . 1]"
1 19 SER 0.000 0.000 . 0 "[ . 1]"
1 20 GLY 0.000 0.000 . 0 "[ . 1]"
1 21 PHE 0.000 0.000 . 0 "[ . 1]"
1 22 ALA 0.000 0.000 . 0 "[ . 1]"
1 24 ASN 0.000 0.000 . 0 "[ . 1]"
1 25 VAL 0.015 0.015 5 0 "[ . 1]"
1 26 CYS 0.000 0.000 . 0 "[ . 1]"
1 27 VAL 0.000 0.000 . 0 "[ . 1]"
1 28 TYR 0.000 0.000 . 0 "[ . 1]"
1 29 ARG 0.000 0.000 . 0 "[ . 1]"
1 32 VAL 0.000 0.000 . 0 "[ . 1]"
1 33 ARG 0.000 0.000 . 0 "[ . 1]"
1 35 CYS 0.000 0.000 . 0 "[ . 1]"
1 36 HIS 0.015 0.015 5 0 "[ . 1]"
1 37 ARG 0.000 0.000 . 0 "[ . 1]"
1 38 ARG 0.000 0.000 . 0 "[ . 1]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 25 VAL QG 1 26 CYS H 2.896 . 3.945 2.876 2.574 3.191 . 0 0 "[ . 1]" 1
2 1 32 VAL QG 1 33 ARG H 2.642 . 3.515 2.662 2.212 2.866 . 0 0 "[ . 1]" 1
3 1 20 GLY H 1 20 GLY QA 2.514 . 3.304 2.283 2.205 2.452 . 0 0 "[ . 1]" 1
4 1 15 GLY QA 1 16 GLY H 2.441 . 3.186 2.302 2.108 2.898 . 0 0 "[ . 1]" 1
5 1 9 ARG HA 1 11 SER H 2.233 . 2.856 2.894 2.781 3.053 0.197 1 0 "[ . 1]" 1
6 1 12 PHE H 1 12 PHE HA 2.413 . 3.141 2.501 2.189 2.612 . 0 0 "[ . 1]" 1
7 1 11 SER HA 1 12 PHE H 2.444 . 3.191 3.136 2.977 3.318 0.127 10 0 "[ . 1]" 1
8 1 15 GLY H 1 15 GLY QA 2.400 . 3.120 2.360 2.195 2.498 . 0 0 "[ . 1]" 1
9 1 19 SER HA 1 19 SER QB 2.514 . 3.304 2.303 2.181 2.401 . 0 0 "[ . 1]" 1
10 1 20 GLY QA 1 21 PHE H 2.551 . 3.365 2.537 2.212 2.903 . 0 0 "[ . 1]" 1
11 1 19 SER H 1 19 SER QB 2.856 . 3.876 2.514 2.253 2.785 . 0 0 "[ . 1]" 1
12 1 11 SER H 1 11 SER QB 2.895 . 3.943 2.563 2.275 2.787 . 0 0 "[ . 1]" 1
13 1 29 ARG HB3 1 29 ARG QD 2.920 . 3.986 2.861 2.365 3.409 . 0 0 "[ . 1]" 1
14 1 37 ARG QD 1 37 ARG HE 2.629 . 3.493 2.426 2.297 2.494 . 0 0 "[ . 1]" 1
15 1 37 ARG HB2 1 37 ARG QD 2.690 . 3.595 2.731 2.313 3.511 . 0 0 "[ . 1]" 1
16 1 37 ARG HB3 1 37 ARG QD 2.681 . 3.580 2.551 2.380 3.013 . 0 0 "[ . 1]" 1
17 1 37 ARG QD 1 37 ARG HG3 2.299 . 2.960 2.127 2.120 2.132 . 0 0 "[ . 1]" 1
18 1 38 ARG HB3 1 38 ARG QD 2.873 . 3.905 2.593 2.313 3.490 . 0 0 "[ . 1]" 1
19 1 5 ARG HB2 1 5 ARG QD 2.508 . 3.294 3.028 2.279 3.555 0.261 9 0 "[ . 1]" 1
20 1 28 TYR QE 1 33 ARG QD 3.069 . 4.247 3.525 2.992 4.073 . 0 0 "[ . 1]" 1
21 1 12 PHE HA 1 12 PHE HB2 2.531 . 3.332 2.396 2.173 2.697 . 0 0 "[ . 1]" 1
22 1 33 ARG HB2 1 33 ARG QD 2.489 . 3.263 2.550 2.394 3.087 . 0 0 "[ . 1]" 1
23 1 33 ARG QD 1 33 ARG HE 2.611 . 3.463 2.473 2.431 2.496 . 0 0 "[ . 1]" 1
24 1 33 ARG HB3 1 33 ARG QD 2.508 . 3.294 2.525 2.317 2.958 . 0 0 "[ . 1]" 1
25 1 33 ARG QD 1 33 ARG HG2 2.564 . 3.386 2.326 2.165 2.396 . 0 0 "[ . 1]" 1
26 1 12 PHE HA 1 12 PHE HB3 2.419 . 3.151 2.349 2.156 2.698 . 0 0 "[ . 1]" 1
27 1 12 PHE H 1 12 PHE HB3 2.447 . 3.195 2.769 2.175 3.414 0.219 8 0 "[ . 1]" 1
28 1 14 LYS HB2 1 14 LYS QE 3.016 . 4.153 3.457 2.023 4.460 0.307 3 0 "[ . 1]" 1
29 1 35 CYS QB 1 37 ARG QG 3.241 . 4.554 3.732 3.032 4.258 . 0 0 "[ . 1]" 1
30 1 21 PHE QB 1 22 ALA H 3.051 . 4.215 3.367 2.509 3.893 . 0 0 "[ . 1]" 1
31 1 21 PHE QB 1 21 PHE QD 2.588 . 3.425 2.127 2.124 2.136 . 0 0 "[ . 1]" 1
32 1 21 PHE HA 1 21 PHE QB 2.460 . 3.216 2.375 2.339 2.428 . 0 0 "[ . 1]" 1
33 1 24 ASN QB 1 25 VAL H 2.887 . 3.929 3.323 2.804 3.608 . 0 0 "[ . 1]" 1
34 1 24 ASN HA 1 24 ASN QB 2.335 . 3.016 2.276 2.171 2.447 . 0 0 "[ . 1]" 1
35 1 3 GLN HB2 1 3 GLN QG 2.591 . 3.430 2.310 2.159 2.411 . 0 0 "[ . 1]" 1
36 1 1 ARG HB2 1 1 ARG QG 2.186 . 2.783 2.305 2.155 2.369 . 0 0 "[ . 1]" 1
37 1 14 LYS HB3 1 14 LYS QG 2.615 . 3.470 2.318 2.164 2.361 . 0 0 "[ . 1]" 1
38 1 37 ARG H 1 37 ARG QG 2.440 . 3.184 2.588 1.885 2.953 . 0 0 "[ . 1]" 1
39 1 9 ARG HA 1 9 ARG QG 2.573 . 3.401 2.589 2.377 2.993 . 0 0 "[ . 1]" 1
40 1 1 ARG QB 1 1 ARG QG 2.300 . 2.961 2.061 1.993 2.088 . 0 0 "[ . 1]" 1
41 1 5 ARG HB2 1 5 ARG QG 2.314 . 2.983 2.260 2.141 2.452 . 0 0 "[ . 1]" 1
42 1 32 VAL H 1 32 VAL QG 2.567 . 3.390 2.438 2.279 2.578 . 0 0 "[ . 1]" 1
43 1 32 VAL HA 1 32 VAL QG 2.236 . 2.861 2.145 2.126 2.242 . 0 0 "[ . 1]" 1
44 1 32 VAL HB 1 32 VAL QG 2.074 . 2.612 1.896 1.890 1.897 . 0 0 "[ . 1]" 1
45 1 25 VAL QG 1 36 HIS HE1 3.224 . 4.523 3.122 2.598 4.538 0.015 5 0 "[ . 1]" 1
46 1 25 VAL H 1 25 VAL QG 2.793 . 3.768 2.302 1.906 2.685 . 0 0 "[ . 1]" 1
47 1 25 VAL HA 1 25 VAL QG 2.258 . 2.896 2.158 2.122 2.293 . 0 0 "[ . 1]" 1
48 1 25 VAL HB 1 25 VAL QG 2.092 . 2.639 1.897 1.894 1.899 . 0 0 "[ . 1]" 1
49 1 25 VAL QG 1 26 CYS H 2.928 . 4.000 3.018 2.635 3.461 . 0 0 "[ . 1]" 1
50 1 37 ARG HA 1 37 ARG QB 2.500 . 3.281 2.344 2.165 2.399 . 0 0 "[ . 1]" 1
51 1 37 ARG HA 1 37 ARG QG 2.697 . 3.606 2.609 2.438 3.340 . 0 0 "[ . 1]" 1
52 1 1 ARG HE 1 1 ARG QG 4.298 . 6.607 2.421 2.251 2.698 . 0 0 "[ . 1]" 1
53 1 5 ARG H 1 5 ARG QG 3.412 . 4.867 3.102 1.906 4.047 0.051 4 0 "[ . 1]" 1
54 1 24 ASN QB 1 24 ASN HD21 3.241 . 4.554 2.316 2.157 2.832 . 0 0 "[ . 1]" 1
55 1 11 SER QB 1 12 PHE H 3.292 . 4.647 3.382 2.793 3.868 . 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 236
_Distance_constraint_stats_list.Viol_count 103
_Distance_constraint_stats_list.Viol_total 131.270
_Distance_constraint_stats_list.Viol_max 0.929
_Distance_constraint_stats_list.Viol_rms 0.0433
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0056
_Distance_constraint_stats_list.Viol_average_violations_only 0.1274
_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 1 ARG 0.000 0.000 . 0 "[ . 1]"
1 2 VAL 0.000 0.000 . 0 "[ . 1]"
1 3 GLN 0.000 0.000 . 0 "[ . 1]"
1 4 GLY 0.000 0.000 . 0 "[ . 1]"
1 5 ARG 1.722 0.645 9 1 "[ . +1]"
1 6 TRP 1.722 0.645 9 1 "[ . +1]"
1 7 LYS 0.000 0.000 . 0 "[ . 1]"
1 8 VAL 0.403 0.138 5 0 "[ . 1]"
1 9 ARG 0.347 0.138 5 0 "[ . 1]"
1 10 ALA 0.659 0.132 4 0 "[ . 1]"
1 11 SER 0.000 0.000 . 0 "[ . 1]"
1 12 PHE 0.000 0.000 . 0 "[ . 1]"
1 13 PHE 0.013 0.013 6 0 "[ . 1]"
1 14 LYS 0.695 0.155 7 0 "[ . 1]"
1 15 GLY 0.823 0.155 7 0 "[ . 1]"
1 16 GLY 0.140 0.137 7 0 "[ . 1]"
1 17 GLY 0.359 0.179 4 0 "[ . 1]"
1 18 GLY 0.000 0.000 . 0 "[ . 1]"
1 19 SER 0.000 0.000 . 0 "[ . 1]"
1 20 GLY 0.051 0.051 3 0 "[ . 1]"
1 21 PHE 1.213 0.301 7 0 "[ . 1]"
1 22 ALA 0.037 0.037 2 0 "[ . 1]"
1 23 TRP 1.949 0.384 7 0 "[ . 1]"
1 24 ASN 1.207 0.384 7 0 "[ . 1]"
1 25 VAL 0.209 0.090 9 0 "[ . 1]"
1 26 CYS 0.151 0.107 5 0 "[ . 1]"
1 27 VAL 1.619 0.374 10 0 "[ . 1]"
1 28 TYR 1.845 0.374 10 0 "[ . 1]"
1 29 ARG 0.189 0.075 10 0 "[ . 1]"
1 30 ASN 0.000 0.000 . 0 "[ . 1]"
1 31 GLY 0.000 0.000 . 0 "[ . 1]"
1 32 VAL 0.208 0.075 10 0 "[ . 1]"
1 33 ARG 0.061 0.061 6 0 "[ . 1]"
1 34 VAL 0.379 0.185 8 0 "[ . 1]"
1 35 CYS 0.000 0.000 . 0 "[ . 1]"
1 36 HIS 1.130 0.929 5 1 "[ + 1]"
1 37 ARG 1.880 0.929 5 2 "[ -+ 1]"
1 38 ARG 1.235 0.617 9 2 "[ - . +1]"
1 39 ALA 0.200 0.086 10 0 "[ . 1]"
1 40 ASN 0.200 0.086 10 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 29 ARG HA 1 30 ASN H 2.086 . 2.630 2.150 2.094 2.251 . 0 0 "[ . 1]" 2
2 1 30 ASN H 1 30 ASN HA 2.127 . 2.693 2.266 2.260 2.270 . 0 0 "[ . 1]" 2
3 1 28 TYR HA 1 34 VAL H 2.862 . 3.886 3.146 2.991 3.335 . 0 0 "[ . 1]" 2
4 1 34 VAL H 1 34 VAL HA 2.757 . 3.707 2.943 2.925 2.954 . 0 0 "[ . 1]" 2
5 1 33 ARG HA 1 34 VAL H 2.026 . 2.539 2.159 2.128 2.211 . 0 0 "[ . 1]" 2
6 1 34 VAL H 1 34 VAL MG2 2.764 . 3.719 2.629 2.253 3.904 0.185 8 0 "[ . 1]" 2
7 1 29 ARG H 1 34 VAL H 2.696 . 3.605 3.360 2.931 3.664 0.059 2 0 "[ . 1]" 2
8 1 28 TYR HA 1 29 ARG H 2.042 . 2.563 2.140 2.078 2.251 . 0 0 "[ . 1]" 2
9 1 29 ARG H 1 29 ARG HA 2.860 . 3.883 2.933 2.901 2.947 . 0 0 "[ . 1]" 2
10 1 35 CYS H 1 35 CYS HA 2.917 . 3.981 2.926 2.906 2.948 . 0 0 "[ . 1]" 2
11 1 34 VAL HA 1 35 CYS H 1.978 . 2.467 2.161 2.135 2.216 . 0 0 "[ . 1]" 2
12 1 35 CYS H 1 35 CYS QB 2.496 . 3.275 2.513 2.365 2.613 . 0 0 "[ . 1]" 2
13 1 34 VAL MG1 1 35 CYS H 3.058 . 4.227 3.114 2.778 3.777 . 0 0 "[ . 1]" 2
14 1 35 CYS H 1 36 HIS H 2.725 . 6.000 4.261 4.120 4.466 . 0 0 "[ . 1]" 2
15 1 25 VAL H 1 36 HIS H 2.832 . 3.835 3.531 3.095 3.867 0.032 4 0 "[ . 1]" 2
16 1 35 CYS HA 1 36 HIS H 2.217 . 2.831 2.150 2.112 2.178 . 0 0 "[ . 1]" 2
17 1 36 HIS H 1 36 HIS HB2 3.008 . 4.139 3.554 2.226 3.822 . 0 0 "[ . 1]" 2
18 1 27 VAL H 1 34 VAL H 2.696 . 3.604 3.208 2.966 3.390 . 0 0 "[ . 1]" 2
19 1 27 VAL H 1 35 CYS H 2.908 . 6.000 4.795 4.687 4.961 . 0 0 "[ . 1]" 2
20 1 26 CYS HA 1 27 VAL H 2.044 . 2.566 2.126 2.112 2.145 . 0 0 "[ . 1]" 2
21 1 24 ASN HA 1 37 ARG H 2.920 . 6.000 5.026 4.407 6.073 0.073 5 0 "[ . 1]" 2
22 1 38 ARG H 1 38 ARG HA 2.832 . 3.835 2.879 2.838 2.931 . 0 0 "[ . 1]" 2
23 1 36 HIS HB3 1 37 ARG H 2.788 . 6.000 4.044 3.514 4.227 . 0 0 "[ . 1]" 2
24 1 38 ARG H 1 38 ARG HB3 2.354 . 3.047 2.795 2.364 3.664 0.617 9 2 "[ - . +1]" 2
25 1 28 TYR H 1 28 TYR QD 2.876 . 3.910 2.784 2.530 3.123 . 0 0 "[ . 1]" 2
26 1 28 TYR H 1 28 TYR HA 2.818 . 3.811 2.916 2.884 2.937 . 0 0 "[ . 1]" 2
27 1 27 VAL HA 1 28 TYR H 2.063 . 2.595 2.308 2.200 2.464 . 0 0 "[ . 1]" 2
28 1 26 CYS H 1 26 CYS HA 2.847 . 3.860 2.926 2.907 2.943 . 0 0 "[ . 1]" 2
29 1 1 ARG HA 1 2 VAL H 2.680 . 3.578 2.689 2.184 3.572 . 0 0 "[ . 1]" 2
30 1 25 VAL HA 1 26 CYS H 2.050 . 2.576 2.154 2.121 2.263 . 0 0 "[ . 1]" 2
31 1 32 VAL HA 1 33 ARG H 1.912 . 2.369 2.151 2.118 2.218 . 0 0 "[ . 1]" 2
32 1 30 ASN H 1 31 GLY H 2.826 . 3.824 2.651 2.562 2.880 . 0 0 "[ . 1]" 2
33 1 31 GLY H 1 31 GLY HA3 2.634 . 3.501 2.892 2.856 2.920 . 0 0 "[ . 1]" 2
34 1 31 GLY H 1 31 GLY HA2 2.339 . 3.023 2.325 2.301 2.353 . 0 0 "[ . 1]" 2
35 1 30 ASN HA 1 31 GLY H 2.389 . 3.102 2.825 2.638 2.980 . 0 0 "[ . 1]" 2
36 1 38 ARG HA 1 39 ALA H 2.197 . 2.800 2.138 2.106 2.159 . 0 0 "[ . 1]" 2
37 1 24 ASN HA 1 25 VAL H 2.232 . 2.855 2.162 2.127 2.230 . 0 0 "[ . 1]" 2
38 1 25 VAL H 1 25 VAL HA 2.871 . 3.902 2.929 2.907 2.947 . 0 0 "[ . 1]" 2
39 1 19 SER HA 1 20 GLY H 2.553 . 3.368 2.178 2.141 2.402 . 0 0 "[ . 1]" 2
40 1 8 VAL HA 1 9 ARG H 2.146 . 2.722 2.357 2.090 2.677 . 0 0 "[ . 1]" 2
41 1 9 ARG HA 1 10 ALA H 2.114 . 6.000 3.369 3.070 3.514 . 0 0 "[ . 1]" 2
42 1 18 GLY H 1 18 GLY HA2 2.356 . 3.050 2.574 2.313 2.941 . 0 0 "[ . 1]" 2
43 1 39 ALA HA 1 40 ASN H 2.436 . 3.178 2.806 2.247 3.264 0.086 10 0 "[ . 1]" 2
44 1 17 GLY H 1 17 GLY HA2 2.141 . 2.714 2.573 2.300 2.893 0.179 4 0 "[ . 1]" 2
45 1 13 PHE HA 1 14 LYS H 2.211 . 2.822 2.394 2.115 2.835 0.013 6 0 "[ . 1]" 2
46 1 14 LYS H 1 14 LYS HA 2.802 . 3.783 2.909 2.869 2.944 . 0 0 "[ . 1]" 2
47 1 10 ALA MB 1 11 SER H 3.137 . 4.367 3.351 3.112 3.623 . 0 0 "[ . 1]" 2
48 1 11 SER H 1 11 SER HA 2.758 . 3.709 2.873 2.821 2.940 . 0 0 "[ . 1]" 2
49 1 11 SER HA 1 12 PHE H 2.320 . 6.000 3.345 3.175 3.523 . 0 0 "[ . 1]" 2
50 1 12 PHE H 1 12 PHE HB2 2.796 . 3.773 2.778 2.451 3.675 . 0 0 "[ . 1]" 2
51 1 24 ASN H 1 25 VAL H 2.924 . 6.000 4.366 4.120 4.621 . 0 0 "[ . 1]" 2
52 1 24 ASN H 1 24 ASN HA 2.868 . 3.896 2.888 2.807 2.946 . 0 0 "[ . 1]" 2
53 1 21 PHE HA 1 22 ALA H 2.203 . 2.809 2.194 2.109 2.343 . 0 0 "[ . 1]" 2
54 1 22 ALA H 1 22 ALA HA 2.713 . 3.633 2.710 2.259 2.947 . 0 0 "[ . 1]" 2
55 1 8 VAL H 1 9 ARG H 3.118 . 4.333 3.828 2.734 4.471 0.138 5 0 "[ . 1]" 2
56 1 7 LYS HA 1 8 VAL H 2.205 . 6.000 3.481 3.322 3.585 . 0 0 "[ . 1]" 2
57 1 8 VAL H 1 8 VAL HB 2.812 . 3.800 3.121 2.498 3.830 0.030 4 0 "[ . 1]" 2
58 1 8 VAL H 1 8 VAL MG2 2.961 . 4.057 2.453 1.839 3.891 0.026 8 0 "[ . 1]" 2
59 1 20 GLY H 1 21 PHE H 2.927 . 3.998 3.073 2.121 4.049 0.051 3 0 "[ . 1]" 2
60 1 21 PHE H 1 21 PHE HA 2.815 . 3.805 2.884 2.766 2.942 . 0 0 "[ . 1]" 2
61 1 23 TRP H 1 23 TRP HD1 3.026 . 4.171 3.426 2.250 4.374 0.203 2 0 "[ . 1]" 2
62 1 22 ALA HA 1 23 TRP H 2.355 . 3.048 2.514 2.257 3.085 0.037 2 0 "[ . 1]" 2
63 1 23 TRP H 1 24 ASN H 2.520 . 3.314 2.725 2.276 3.435 0.121 8 0 "[ . 1]" 2
64 1 14 LYS H 1 15 GLY H 2.875 . 3.908 2.309 2.047 2.548 . 0 0 "[ . 1]" 2
65 1 14 LYS HA 1 15 GLY H 2.435 . 3.176 3.243 3.168 3.331 0.155 7 0 "[ . 1]" 2
66 1 29 ARG H 1 32 VAL H 2.587 . 3.424 3.212 2.989 3.452 0.028 6 0 "[ . 1]" 2
67 1 31 GLY H 1 32 VAL H 2.599 . 3.443 2.564 2.515 2.594 . 0 0 "[ . 1]" 2
68 1 32 VAL H 1 32 VAL HA 2.728 . 3.658 2.937 2.927 2.947 . 0 0 "[ . 1]" 2
69 1 28 TYR QD 1 32 VAL H 3.143 . 4.378 4.194 3.569 4.423 0.045 8 0 "[ . 1]" 2
70 1 6 TRP QB 1 6 TRP HD1 3.077 . 4.260 2.747 2.484 3.066 . 0 0 "[ . 1]" 2
71 1 13 PHE HA 1 13 PHE QD 3.173 . 4.431 2.837 2.266 3.740 . 0 0 "[ . 1]" 2
72 1 6 TRP HH2 1 6 TRP HZ3 2.014 . 2.521 2.441 2.439 2.443 . 0 0 "[ . 1]" 2
73 1 21 PHE HA 1 21 PHE QD 3.096 . 4.294 2.739 2.361 2.964 . 0 0 "[ . 1]" 2
74 1 28 TYR HA 1 28 TYR QD 2.921 . 3.987 2.827 2.384 3.034 . 0 0 "[ . 1]" 2
75 1 37 ARG H 1 37 ARG HA 2.683 . 3.583 2.929 2.908 2.948 . 0 0 "[ . 1]" 2
76 1 27 VAL H 1 27 VAL HA 2.967 . 4.068 2.945 2.934 2.950 . 0 0 "[ . 1]" 2
77 1 29 ARG HA 1 30 ASN HA 2.828 . 6.000 4.360 4.314 4.413 . 0 0 "[ . 1]" 2
78 1 10 ALA H 1 10 ALA HA 2.193 . 2.794 2.860 2.818 2.926 0.132 4 0 "[ . 1]" 2
79 1 34 VAL HA 1 34 VAL MG1 2.706 . 3.621 2.450 2.335 3.207 . 0 0 "[ . 1]" 2
80 1 7 LYS H 1 7 LYS HA 2.820 . 3.814 2.906 2.837 2.945 . 0 0 "[ . 1]" 2
81 1 5 ARG HA 1 6 TRP H 2.448 . 6.000 3.447 3.292 3.556 . 0 0 "[ . 1]" 2
82 1 14 LYS HA 1 14 LYS HB2 2.944 . 4.027 2.649 2.465 3.023 . 0 0 "[ . 1]" 2
83 1 31 GLY HA3 1 32 VAL H 3.119 . 4.335 3.291 3.192 3.385 . 0 0 "[ . 1]" 2
84 1 33 ARG H 1 33 ARG HA 2.590 . 3.429 2.862 2.844 2.889 . 0 0 "[ . 1]" 2
85 1 28 TYR QD 1 33 ARG HA 3.187 . 4.456 3.197 2.676 3.593 . 0 0 "[ . 1]" 2
86 1 28 TYR HA 1 33 ARG HA 2.356 . 3.050 2.468 2.275 2.667 . 0 0 "[ . 1]" 2
87 1 4 GLY QA 1 5 ARG H 2.757 . 3.707 2.434 2.117 2.898 . 0 0 "[ . 1]" 2
88 1 20 GLY H 1 20 GLY HA2 2.449 . 3.199 2.792 2.353 2.936 . 0 0 "[ . 1]" 2
89 1 11 SER HA 1 11 SER HB2 2.594 . 3.435 2.779 2.438 3.028 . 0 0 "[ . 1]" 2
90 1 23 TRP HB3 1 23 TRP HE3 2.927 . 3.998 3.582 2.579 4.158 0.160 2 0 "[ . 1]" 2
91 1 23 TRP HB3 1 24 ASN H 3.021 . 4.162 4.012 3.153 4.546 0.384 7 0 "[ . 1]" 2
92 1 6 TRP H 1 6 TRP QB 3.058 . 3.996 2.677 2.215 3.092 . 0 0 "[ . 1]" 2
93 1 23 TRP H 1 23 TRP HB3 2.940 . 4.021 3.430 2.189 4.071 0.050 9 0 "[ . 1]" 2
94 1 23 TRP HB3 1 23 TRP HD1 2.774 . 3.736 3.094 2.577 3.789 0.053 6 0 "[ . 1]" 2
95 1 5 ARG HD3 1 6 TRP QB 2.858 . 3.450 3.109 2.180 4.095 0.645 9 1 "[ . +1]" 2
96 1 36 HIS H 1 36 HIS HB3 2.879 . 3.915 3.038 2.768 3.515 . 0 0 "[ . 1]" 2
97 1 36 HIS HB2 1 37 ARG H 2.635 . 3.503 3.328 2.638 4.432 0.929 5 1 "[ + 1]" 2
98 1 6 TRP QB 1 7 LYS H 2.930 . 4.003 3.244 2.035 3.742 . 0 0 "[ . 1]" 2
99 1 23 TRP H 1 23 TRP HB2 2.738 . 3.675 2.918 2.504 3.832 0.157 7 0 "[ . 1]" 2
100 1 23 TRP HB2 1 23 TRP HE3 3.030 . 4.178 2.965 2.392 4.210 0.032 8 0 "[ . 1]" 2
101 1 30 ASN HA 1 30 ASN HB2 2.425 . 3.160 2.837 2.525 3.027 . 0 0 "[ . 1]" 2
102 1 13 PHE HB2 1 13 PHE QD 2.655 . 3.536 2.425 2.259 2.611 . 0 0 "[ . 1]" 2
103 1 12 PHE HA 1 12 PHE HB2 2.512 . 3.301 2.741 2.415 3.029 . 0 0 "[ . 1]" 2
104 1 26 CYS H 1 26 CYS HB2 2.610 . 3.461 2.518 2.425 2.668 . 0 0 "[ . 1]" 2
105 1 13 PHE HB3 1 13 PHE QD 2.820 . 3.814 2.391 2.271 2.648 . 0 0 "[ . 1]" 2
106 1 26 CYS HA 1 26 CYS HB2 2.819 . 3.812 2.989 2.694 3.025 . 0 0 "[ . 1]" 2
107 1 12 PHE HB3 1 12 PHE QD 2.996 . 4.118 2.384 2.253 2.543 . 0 0 "[ . 1]" 2
108 1 21 PHE H 1 21 PHE HB3 2.582 . 3.416 3.104 2.474 3.717 0.301 7 0 "[ . 1]" 2
109 1 28 TYR H 1 28 TYR HB2 2.403 . 3.125 2.415 2.260 2.560 . 0 0 "[ . 1]" 2
110 1 28 TYR HB2 1 28 TYR QD 2.429 . 3.166 2.380 2.298 2.473 . 0 0 "[ . 1]" 2
111 1 28 TYR HA 1 28 TYR HB2 2.691 . 3.596 3.013 2.978 3.025 . 0 0 "[ . 1]" 2
112 1 30 ASN HA 1 30 ASN HB3 2.731 . 3.663 2.708 2.488 3.029 . 0 0 "[ . 1]" 2
113 1 35 CYS QB 1 36 HIS H 2.783 . 3.751 3.490 3.233 3.634 . 0 0 "[ . 1]" 2
114 1 28 TYR HB3 1 29 ARG H 3.051 . 4.214 3.792 3.625 4.043 . 0 0 "[ . 1]" 2
115 1 28 TYR H 1 28 TYR HB3 2.704 . 3.618 3.629 3.523 3.696 0.078 1 0 "[ . 1]" 2
116 1 28 TYR HB3 1 28 TYR QD 2.367 . 3.067 2.431 2.329 2.593 . 0 0 "[ . 1]" 2
117 1 28 TYR HA 1 28 TYR HB3 2.454 . 3.207 2.537 2.445 2.655 . 0 0 "[ . 1]" 2
118 1 24 ASN H 1 24 ASN QB 2.505 . 3.289 2.609 2.284 2.841 . 0 0 "[ . 1]" 2
119 1 24 ASN QB 1 35 CYS QB 2.800 . 3.780 2.827 2.227 3.676 . 0 0 "[ . 1]" 2
120 1 26 CYS HB3 1 27 VAL H 2.724 . 3.651 3.558 3.356 3.758 0.107 5 0 "[ . 1]" 2
121 1 26 CYS HA 1 26 CYS HB3 2.495 . 3.273 2.513 2.426 2.960 . 0 0 "[ . 1]" 2
122 1 27 VAL H 1 27 VAL HB 3.014 . 4.149 3.762 3.718 3.823 . 0 0 "[ . 1]" 2
123 1 27 VAL HB 1 28 TYR H 2.371 . 3.074 2.656 2.348 2.882 . 0 0 "[ . 1]" 2
124 1 27 VAL HA 1 27 VAL HB 2.335 . 3.017 2.494 2.456 2.540 . 0 0 "[ . 1]" 2
125 1 27 VAL HB 1 27 VAL MG2 2.306 . 2.971 2.130 2.129 2.131 . 0 0 "[ . 1]" 2
126 1 3 GLN H 1 3 GLN HB2 2.886 . 3.927 2.904 2.414 3.874 . 0 0 "[ . 1]" 2
127 1 32 VAL H 1 32 VAL HB 2.436 . 3.178 2.636 2.539 2.986 . 0 0 "[ . 1]" 2
128 1 32 VAL HA 1 32 VAL HB 2.718 . 3.642 2.973 2.517 3.026 . 0 0 "[ . 1]" 2
129 1 8 VAL HA 1 8 VAL HB 2.990 . 4.108 2.817 2.474 3.032 . 0 0 "[ . 1]" 2
130 1 34 VAL H 1 34 VAL HB 2.573 . 3.400 2.664 2.518 3.073 . 0 0 "[ . 1]" 2
131 1 34 VAL HA 1 34 VAL HB 2.782 . 3.749 2.970 2.466 3.029 . 0 0 "[ . 1]" 2
132 1 9 ARG H 1 9 ARG HB3 3.130 . 4.355 3.340 2.532 3.792 . 0 0 "[ . 1]" 2
133 1 9 ARG HA 1 9 ARG HB3 2.721 . 3.647 2.638 2.441 3.026 . 0 0 "[ . 1]" 2
134 1 14 LYS HA 1 14 LYS HB3 2.772 . 3.732 2.685 2.411 3.025 . 0 0 "[ . 1]" 2
135 1 37 ARG H 1 37 ARG HB2 2.211 . 2.822 2.654 2.438 3.598 0.776 4 1 "[ +. 1]" 2
136 1 9 ARG HA 1 9 ARG HB2 2.590 . 3.428 2.865 2.487 3.024 . 0 0 "[ . 1]" 2
137 1 29 ARG H 1 29 ARG HB3 2.999 . 4.124 3.373 2.513 3.799 . 0 0 "[ . 1]" 2
138 1 25 VAL H 1 25 VAL HB 2.687 . 3.590 2.838 2.541 3.680 0.090 9 0 "[ . 1]" 2
139 1 29 ARG HA 1 29 ARG HB3 2.576 . 3.406 2.587 2.384 3.027 . 0 0 "[ . 1]" 2
140 1 25 VAL HA 1 25 VAL HB 2.736 . 3.672 2.917 2.454 3.028 . 0 0 "[ . 1]" 2
141 1 9 ARG H 1 9 ARG HB2 2.916 . 3.979 2.526 2.452 2.660 . 0 0 "[ . 1]" 2
142 1 7 LYS HA 1 7 LYS HB2 2.703 . 3.617 2.859 2.452 3.030 . 0 0 "[ . 1]" 2
143 1 33 ARG H 1 33 ARG HB2 2.303 . 2.966 2.640 2.501 2.751 . 0 0 "[ . 1]" 2
144 1 33 ARG HA 1 33 ARG HB2 2.861 . 3.884 2.448 2.412 2.505 . 0 0 "[ . 1]" 2
145 1 33 ARG HB2 1 33 ARG HG2 2.386 . 3.098 3.010 3.000 3.012 . 0 0 "[ . 1]" 2
146 1 14 LYS H 1 14 LYS HB2 2.965 . 4.064 2.925 2.390 3.722 . 0 0 "[ . 1]" 2
147 1 5 ARG HA 1 5 ARG HB3 2.804 . 3.787 2.693 2.362 3.034 . 0 0 "[ . 1]" 2
148 1 29 ARG H 1 29 ARG HB2 3.070 . 4.248 2.698 2.410 3.639 . 0 0 "[ . 1]" 2
149 1 29 ARG HA 1 29 ARG HB2 2.512 . 3.300 2.862 2.450 3.028 . 0 0 "[ . 1]" 2
150 1 7 LYS H 1 7 LYS HB3 3.145 . 4.382 3.379 2.548 3.728 . 0 0 "[ . 1]" 2
151 1 7 LYS HA 1 7 LYS HB3 2.782 . 3.749 2.518 2.417 3.028 . 0 0 "[ . 1]" 2
152 1 29 ARG HA 1 29 ARG HG3 3.056 . 4.223 3.138 2.937 3.812 . 0 0 "[ . 1]" 2
153 1 39 ALA H 1 39 ALA MB 2.564 . 3.386 2.516 2.277 2.884 . 0 0 "[ . 1]" 2
154 1 33 ARG H 1 33 ARG HB3 2.451 . 3.202 2.452 2.376 2.566 . 0 0 "[ . 1]" 2
155 1 28 TYR QE 1 33 ARG HB3 3.082 . 4.269 4.055 3.780 4.330 0.061 6 0 "[ . 1]" 2
156 1 10 ALA HA 1 10 ALA MB 2.459 . 3.215 2.127 2.124 2.131 . 0 0 "[ . 1]" 2
157 1 33 ARG HA 1 33 ARG HB3 2.578 . 3.409 3.025 3.018 3.027 . 0 0 "[ . 1]" 2
158 1 10 ALA H 1 10 ALA MB 2.549 . 3.361 2.293 2.239 2.454 . 0 0 "[ . 1]" 2
159 1 33 ARG HB3 1 33 ARG HG3 2.346 . 3.034 3.009 3.000 3.012 . 0 0 "[ . 1]" 2
160 1 22 ALA H 1 22 ALA MB 2.377 . 3.083 2.573 2.282 2.886 . 0 0 "[ . 1]" 2
161 1 22 ALA MB 1 23 TRP H 2.945 . 4.029 3.482 2.070 3.723 . 0 0 "[ . 1]" 2
162 1 22 ALA HA 1 22 ALA MB 2.283 . 2.934 2.129 2.123 2.136 . 0 0 "[ . 1]" 2
163 1 33 ARG HA 1 33 ARG HG2 2.904 . 3.958 3.126 2.871 3.265 . 0 0 "[ . 1]" 2
164 1 26 CYS HB3 1 33 ARG HG2 3.030 . 4.177 2.899 2.403 3.519 . 0 0 "[ . 1]" 2
165 1 33 ARG HA 1 33 ARG HG3 2.729 . 3.660 2.631 2.559 2.679 . 0 0 "[ . 1]" 2
166 1 27 VAL MG2 1 28 TYR H 2.664 . 3.551 3.662 3.351 3.925 0.374 10 0 "[ . 1]" 2
167 1 27 VAL HA 1 27 VAL MG2 2.666 . 3.554 3.208 3.199 3.215 . 0 0 "[ . 1]" 2
168 1 34 VAL HA 1 34 VAL MG2 2.413 . 3.141 2.423 2.328 2.469 . 0 0 "[ . 1]" 2
169 1 34 VAL HB 1 34 VAL MG2 2.332 . 3.012 2.129 2.123 2.131 . 0 0 "[ . 1]" 2
170 1 34 VAL HB 1 34 VAL MG1 2.317 . 2.988 2.127 2.117 2.131 . 0 0 "[ . 1]" 2
171 1 27 VAL H 1 27 VAL MG1 2.436 . 3.177 2.905 2.739 3.189 0.012 5 0 "[ . 1]" 2
172 1 27 VAL HA 1 27 VAL MG1 3.214 . 4.505 2.320 2.262 2.376 . 0 0 "[ . 1]" 2
173 1 27 VAL HB 1 27 VAL MG1 2.417 . 3.147 2.127 2.124 2.129 . 0 0 "[ . 1]" 2
174 1 23 TRP HA 1 23 TRP HB3 2.555 . 3.371 2.490 2.370 3.005 . 0 0 "[ . 1]" 2
175 1 23 TRP HA 1 23 TRP HB2 2.543 . 3.352 2.851 2.344 3.029 . 0 0 "[ . 1]" 2
176 1 23 TRP H 1 23 TRP HA 2.774 . 3.736 2.824 2.256 2.921 . 0 0 "[ . 1]" 2
177 1 37 ARG HA 1 38 ARG H 2.083 . 2.625 2.208 2.117 2.362 . 0 0 "[ . 1]" 2
178 1 36 HIS HA 1 36 HIS HD2 3.744 . 5.496 4.361 2.904 4.648 . 0 0 "[ . 1]" 2
179 1 23 TRP HA 1 23 TRP HE3 3.623 . 5.264 4.026 2.228 5.037 . 0 0 "[ . 1]" 2
180 1 12 PHE HA 1 12 PHE QD 3.758 . 5.523 3.005 2.524 3.749 . 0 0 "[ . 1]" 2
181 1 27 VAL HA 1 28 TYR QD 3.728 . 5.465 3.721 3.362 4.318 . 0 0 "[ . 1]" 2
182 1 28 TYR QD 1 32 VAL HA 3.739 . 5.487 4.020 3.606 4.491 . 0 0 "[ . 1]" 2
183 1 36 HIS HD2 1 38 ARG HA 3.747 . 5.502 5.014 4.267 5.536 0.034 5 0 "[ . 1]" 2
184 1 4 GLY QA 1 6 TRP HD1 3.765 . 5.537 4.471 2.975 5.465 . 0 0 "[ . 1]" 2
185 1 28 TYR QD 1 31 GLY HA2 3.366 . 4.782 3.649 2.308 4.363 . 0 0 "[ . 1]" 2
186 1 31 GLY HA2 1 32 VAL H 3.159 . 4.407 3.266 3.143 3.361 . 0 0 "[ . 1]" 2
187 1 30 ASN HB3 1 30 ASN HD21 3.350 . 4.753 2.814 2.224 3.521 . 0 0 "[ . 1]" 2
188 1 33 ARG HB2 1 33 ARG HE 3.629 . 5.275 3.668 2.075 4.558 . 0 0 "[ . 1]" 2
189 1 38 ARG HE 1 38 ARG HG3 3.489 . 5.010 2.969 2.529 3.606 . 0 0 "[ . 1]" 2
190 1 28 TYR QD 1 33 ARG HB3 3.615 . 5.248 4.676 4.180 5.108 . 0 0 "[ . 1]" 2
191 1 33 ARG HE 1 33 ARG HG2 3.445 . 4.929 2.705 2.369 3.630 . 0 0 "[ . 1]" 2
192 1 24 ASN QB 1 36 HIS H 3.744 . 5.496 4.699 3.930 5.319 . 0 0 "[ . 1]" 2
193 1 26 CYS HB3 1 34 VAL H 3.699 . 5.410 4.562 4.131 5.435 0.025 5 0 "[ . 1]" 2
194 1 26 CYS H 1 26 CYS HB3 3.134 . 4.362 3.601 2.904 3.769 . 0 0 "[ . 1]" 2
195 1 29 ARG H 1 32 VAL HB 3.610 . 5.239 3.781 3.322 5.314 0.075 10 0 "[ . 1]" 2
196 1 2 VAL H 1 2 VAL HB 3.603 . 5.226 2.940 2.532 3.689 . 0 0 "[ . 1]" 2
197 1 8 VAL HB 1 9 ARG H 3.383 . 4.814 4.032 2.461 4.618 . 0 0 "[ . 1]" 2
198 1 3 GLN H 1 3 GLN HB3 3.639 . 5.294 3.323 2.404 3.781 . 0 0 "[ . 1]" 2
199 1 34 VAL HB 1 35 CYS H 3.626 . 5.269 4.291 4.126 4.375 . 0 0 "[ . 1]" 2
200 1 27 VAL H 1 34 VAL HB 3.521 . 5.071 3.801 3.466 5.154 0.083 8 0 "[ . 1]" 2
201 1 14 LYS H 1 14 LYS HB3 3.321 . 4.699 3.002 2.490 3.718 . 0 0 "[ . 1]" 2
202 1 38 ARG HB3 1 39 ALA H 3.243 . 4.557 4.148 3.481 4.460 . 0 0 "[ . 1]" 2
203 1 25 VAL HB 1 36 HIS H 3.765 . 5.537 4.063 3.254 5.484 . 0 0 "[ . 1]" 2
204 1 25 VAL HB 1 26 CYS H 3.324 . 4.705 4.000 2.657 4.390 . 0 0 "[ . 1]" 2
205 1 25 VAL HB 1 36 HIS HE1 3.855 . 5.713 3.860 2.240 5.400 . 0 0 "[ . 1]" 2
206 1 7 LYS H 1 7 LYS HB2 3.481 . 4.996 2.749 2.403 3.719 . 0 0 "[ . 1]" 2
207 1 5 ARG H 1 5 ARG HB2 3.326 . 4.709 3.214 2.422 3.645 . 0 0 "[ . 1]" 2
208 1 38 ARG HG3 1 39 ALA H 3.567 . 5.158 4.208 3.091 5.148 . 0 0 "[ . 1]" 2
209 1 29 ARG H 1 29 ARG HG3 3.873 . 5.748 3.127 2.602 4.432 . 0 0 "[ . 1]" 2
210 1 39 ALA MB 1 40 ASN H 3.576 . 5.175 3.324 2.712 3.714 . 0 0 "[ . 1]" 2
211 1 33 ARG H 1 33 ARG HG2 3.498 . 5.027 4.399 4.342 4.472 . 0 0 "[ . 1]" 2
212 1 33 ARG HG2 1 34 VAL H 3.296 . 4.654 3.662 3.202 3.862 . 0 0 "[ . 1]" 2
213 1 30 ASN H 1 30 ASN HB2 3.593 . 5.207 3.371 3.016 3.565 . 0 0 "[ . 1]" 2
214 1 30 ASN H 1 30 ASN HB3 3.306 . 4.672 3.936 3.663 4.115 . 0 0 "[ . 1]" 2
215 1 29 ARG HB3 1 30 ASN H 4.203 . 6.411 3.853 3.257 4.462 . 0 0 "[ . 1]" 2
216 1 6 TRP HA 1 7 LYS H 3.275 . 4.616 2.853 2.052 3.547 . 0 0 "[ . 1]" 2
217 1 36 HIS HA 1 37 ARG H 3.329 . 4.715 2.140 2.054 2.354 . 0 0 "[ . 1]" 2
218 1 29 ARG H 1 31 GLY H 3.469 . 4.973 4.147 3.846 4.459 . 0 0 "[ . 1]" 2
219 1 33 ARG H 1 34 VAL H 3.462 . 4.960 4.314 4.222 4.425 . 0 0 "[ . 1]" 2
220 1 34 VAL H 1 35 CYS H 3.266 . 4.600 4.258 4.155 4.434 . 0 0 "[ . 1]" 2
221 1 29 ARG H 1 30 ASN H 3.762 . 5.531 4.206 3.933 4.343 . 0 0 "[ . 1]" 2
222 1 13 PHE HB2 1 14 LYS H 3.445 . 4.929 4.130 2.633 4.554 . 0 0 "[ . 1]" 2
223 1 13 PHE HB3 1 14 LYS H 3.513 . 5.056 4.159 2.702 4.489 . 0 0 "[ . 1]" 2
224 1 30 ASN HB2 1 31 GLY H 3.712 . 5.434 4.332 4.032 4.638 . 0 0 "[ . 1]" 2
225 1 30 ASN HB3 1 31 GLY H 3.662 . 5.338 4.353 4.164 4.450 . 0 0 "[ . 1]" 2
226 1 28 TYR HB3 1 31 GLY H 3.238 . 4.549 3.342 2.998 3.995 . 0 0 "[ . 1]" 2
227 1 29 ARG HG3 1 30 ASN H 3.933 . 5.866 4.802 3.435 5.258 . 0 0 "[ . 1]" 2
228 1 28 TYR QD 1 29 ARG H 3.627 . 5.271 4.360 4.039 4.678 . 0 0 "[ . 1]" 2
229 1 28 TYR QD 1 33 ARG H 3.631 . 5.279 3.607 3.140 3.971 . 0 0 "[ . 1]" 2
230 1 28 TYR QD 1 31 GLY H 3.917 . 5.835 4.563 3.721 5.206 . 0 0 "[ . 1]" 2
231 1 28 TYR QE 1 33 ARG H 3.769 . 5.545 4.020 3.536 4.448 . 0 0 "[ . 1]" 2
232 1 32 VAL H 1 33 ARG H 3.651 . 5.318 4.386 4.294 4.465 . 0 0 "[ . 1]" 2
233 1 6 TRP QB 1 6 TRP HE3 3.332 . 4.719 2.507 2.384 3.073 . 0 0 "[ . 1]" 2
234 1 24 ASN HD21 1 35 CYS QB 4.105 . 6.211 4.838 3.295 5.911 . 0 0 "[ . 1]" 2
235 1 40 ASN H 1 40 ASN HB3 3.384 . 4.816 2.893 2.492 3.655 . 0 0 "[ . 1]" 2
236 1 15 GLY HA3 1 16 GLY H 2.427 . 3.163 2.633 2.134 3.300 0.137 7 0 "[ . 1]" 2
stop_
save_
Contact the webmaster for help, if required. Tuesday, May 21, 2024 2:23:02 PM GMT (wattos1)