NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
415866 |
2ddi   |
6963 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2ddi
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 9
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 0.997
_Distance_constraint_stats_list.Viol_max 0.036
_Distance_constraint_stats_list.Viol_rms 0.0029
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0249
_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 10 CYS 0.050 0.036 17 0 "[ . 1 . 2]"
1 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 CYS 0.050 0.036 17 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 10 CYS SG 1 60 CYS SG . . 2.100 2.026 2.013 2.044 . 0 0 "[ . 1 . 2]" 1
2 1 10 CYS SG 1 60 CYS CB . . 3.100 3.046 2.940 3.136 0.036 17 0 "[ . 1 . 2]" 1
3 1 10 CYS CB 1 60 CYS SG . . 3.100 2.964 2.899 3.039 . 0 0 "[ . 1 . 2]" 1
4 1 19 CYS SG 1 43 CYS SG . . 2.100 2.020 2.009 2.030 . 0 0 "[ . 1 . 2]" 1
5 1 19 CYS SG 1 43 CYS CB . . 3.100 2.950 2.925 2.996 . 0 0 "[ . 1 . 2]" 1
6 1 19 CYS CB 1 43 CYS SG . . 3.100 2.965 2.936 3.019 . 0 0 "[ . 1 . 2]" 1
7 1 35 CYS SG 1 56 CYS SG . . 2.100 2.025 2.002 2.035 . 0 0 "[ . 1 . 2]" 1
8 1 35 CYS SG 1 56 CYS CB . . 3.100 2.949 2.919 2.984 . 0 0 "[ . 1 . 2]" 1
9 1 35 CYS CB 1 56 CYS SG . . 3.100 2.991 2.876 3.051 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 628
_Distance_constraint_stats_list.Viol_count 1681
_Distance_constraint_stats_list.Viol_total 2080.400
_Distance_constraint_stats_list.Viol_max 0.105
_Distance_constraint_stats_list.Viol_rms 0.0228
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0083
_Distance_constraint_stats_list.Viol_average_violations_only 0.0619
_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 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLU 0.192 0.076 17 0 "[ . 1 . 2]"
1 6 PHE 0.469 0.081 4 0 "[ . 1 . 2]"
1 7 THR 0.217 0.083 13 0 "[ . 1 . 2]"
1 8 ASP 0.835 0.089 16 0 "[ . 1 . 2]"
1 9 ALA 0.088 0.045 10 0 "[ . 1 . 2]"
1 10 CYS 1.172 0.085 20 0 "[ . 1 . 2]"
1 11 VAL 0.750 0.076 6 0 "[ . 1 . 2]"
1 12 LEU 8.894 0.092 19 0 "[ . 1 . 2]"
1 13 PRO 4.907 0.092 19 0 "[ . 1 . 2]"
1 14 ALA 1.402 0.074 14 0 "[ . 1 . 2]"
1 15 VAL 1.743 0.096 5 0 "[ . 1 . 2]"
1 16 GLN 3.246 0.096 5 0 "[ . 1 . 2]"
1 17 GLY 1.534 0.072 12 0 "[ . 1 . 2]"
1 18 PRO 1.328 0.072 12 0 "[ . 1 . 2]"
1 19 CYS 2.875 0.085 7 0 "[ . 1 . 2]"
1 20 ARG 4.495 0.096 11 0 "[ . 1 . 2]"
1 21 GLY 2.663 0.096 11 0 "[ . 1 . 2]"
1 22 TRP 4.862 0.093 10 0 "[ . 1 . 2]"
1 23 GLU 3.433 0.093 10 0 "[ . 1 . 2]"
1 24 PRO 2.735 0.100 4 0 "[ . 1 . 2]"
1 25 ARG 2.203 0.066 15 0 "[ . 1 . 2]"
1 26 TRP 9.172 0.092 18 0 "[ . 1 . 2]"
1 27 ALA 0.423 0.068 18 0 "[ . 1 . 2]"
1 28 TYR 3.411 0.085 3 0 "[ . 1 . 2]"
1 29 SER 5.150 0.094 6 0 "[ . 1 . 2]"
1 30 PRO 1.468 0.065 19 0 "[ . 1 . 2]"
1 31 LEU 6.197 0.078 14 0 "[ . 1 . 2]"
1 32 LEU 8.880 0.088 6 0 "[ . 1 . 2]"
1 33 GLN 5.766 0.102 3 0 "[ . 1 . 2]"
1 34 GLN 2.267 0.089 14 0 "[ . 1 . 2]"
1 35 CYS 3.569 0.089 14 0 "[ . 1 . 2]"
1 36 HIS 5.036 0.094 6 0 "[ . 1 . 2]"
1 37 PRO 4.225 0.080 2 0 "[ . 1 . 2]"
1 38 PHE 4.271 0.100 4 0 "[ . 1 . 2]"
1 39 VAL 0.994 0.075 15 0 "[ . 1 . 2]"
1 40 TYR 2.209 0.069 13 0 "[ . 1 . 2]"
1 41 GLY 2.239 0.084 10 0 "[ . 1 . 2]"
1 42 GLY 0.506 0.059 7 0 "[ . 1 . 2]"
1 43 CYS 1.946 0.080 7 0 "[ . 1 . 2]"
1 44 GLU 2.918 0.086 2 0 "[ . 1 . 2]"
1 45 GLY 1.168 0.069 13 0 "[ . 1 . 2]"
1 46 ASN 3.326 0.091 17 0 "[ . 1 . 2]"
1 47 GLY 1.713 0.091 17 0 "[ . 1 . 2]"
1 48 ASN 5.113 0.084 17 0 "[ . 1 . 2]"
1 49 ASN 0.252 0.066 4 0 "[ . 1 . 2]"
1 50 PHE 4.617 0.096 3 0 "[ . 1 . 2]"
1 51 HIS 2.707 0.096 3 0 "[ . 1 . 2]"
1 52 SER 4.924 0.096 3 0 "[ . 1 . 2]"
1 53 ARG 8.171 0.098 18 0 "[ . 1 . 2]"
1 54 GLU 3.492 0.097 5 0 "[ . 1 . 2]"
1 55 SER 3.135 0.097 5 0 "[ . 1 . 2]"
1 56 CYS 4.768 0.105 14 0 "[ . 1 . 2]"
1 57 GLU 3.790 0.096 12 0 "[ . 1 . 2]"
1 58 ASP 1.818 0.087 14 0 "[ . 1 . 2]"
1 59 ALA 2.008 0.105 14 0 "[ . 1 . 2]"
1 60 CYS 2.125 0.082 2 0 "[ . 1 . 2]"
1 61 PRO 1.053 0.087 19 0 "[ . 1 . 2]"
1 62 VAL 2.407 0.100 1 0 "[ . 1 . 2]"
1 63 VAL 4.195 0.100 1 0 "[ . 1 . 2]"
1 64 ASP 1.764 0.100 14 0 "[ . 1 . 2]"
1 65 HIS 2.710 0.099 7 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 GLU H 1 3 GLU HB2 . . 4.140 2.629 2.273 3.076 . 0 0 "[ . 1 . 2]" 2
2 1 3 GLU H 1 3 GLU HB3 . . 4.140 3.657 3.452 3.948 . 0 0 "[ . 1 . 2]" 2
3 1 3 GLU H 1 3 GLU QB . . 3.900 2.570 2.248 2.974 . 0 0 "[ . 1 . 2]" 2
4 1 3 GLU H 1 3 GLU HG3 . . 5.500 3.213 2.163 3.960 . 0 0 "[ . 1 . 2]" 2
5 1 5 GLU H 1 5 GLU HB2 . . 2.960 2.571 2.330 2.880 . 0 0 "[ . 1 . 2]" 2
6 1 5 GLU H 1 5 GLU HB3 . . 3.730 3.613 3.488 3.806 0.076 17 0 "[ . 1 . 2]" 2
7 1 6 PHE H 1 6 PHE HB2 . . 3.390 3.224 2.497 3.471 0.081 4 0 "[ . 1 . 2]" 2
8 1 6 PHE H 1 6 PHE HB3 . . 4.040 2.815 2.365 3.150 . 0 0 "[ . 1 . 2]" 2
9 1 6 PHE HA 1 6 PHE HB2 . . 2.770 2.488 2.422 2.598 . 0 0 "[ . 1 . 2]" 2
10 1 6 PHE HA 1 7 THR H . . 2.650 2.355 2.114 2.717 0.067 15 0 "[ . 1 . 2]" 2
11 1 7 THR H 1 7 THR HB . . 3.270 2.880 2.421 3.314 0.044 12 0 "[ . 1 . 2]" 2
12 1 7 THR H 1 8 ASP H . . 4.420 3.958 3.208 4.373 . 0 0 "[ . 1 . 2]" 2
13 1 7 THR HA 1 8 ASP H . . 2.650 2.285 2.150 2.733 0.083 13 0 "[ . 1 . 2]" 2
14 1 7 THR HB 1 8 ASP H . . 5.500 4.296 3.082 4.595 . 0 0 "[ . 1 . 2]" 2
15 1 7 THR MG 1 8 ASP H . . 5.260 2.983 1.701 3.593 . 0 0 "[ . 1 . 2]" 2
16 1 7 THR MG 1 10 CYS H . . 6.530 5.276 4.854 5.399 . 0 0 "[ . 1 . 2]" 2
17 1 8 ASP H 1 8 ASP HB2 . . 3.050 2.821 2.334 3.139 0.089 16 0 "[ . 1 . 2]" 2
18 1 8 ASP H 1 8 ASP HB3 . . 2.990 2.476 2.312 2.773 . 0 0 "[ . 1 . 2]" 2
19 1 8 ASP HA 1 8 ASP HB2 . . 2.870 2.460 2.366 2.553 . 0 0 "[ . 1 . 2]" 2
20 1 8 ASP HA 1 9 ALA H . . 2.590 2.371 2.084 2.586 . 0 0 "[ . 1 . 2]" 2
21 1 8 ASP HA 1 10 CYS H . . 4.230 4.083 3.600 4.315 0.085 20 0 "[ . 1 . 2]" 2
22 1 8 ASP HB3 1 9 ALA H . . 4.660 3.806 3.469 4.493 . 0 0 "[ . 1 . 2]" 2
23 1 9 ALA H 1 9 ALA MB . . 3.640 2.244 2.087 2.349 . 0 0 "[ . 1 . 2]" 2
24 1 9 ALA H 1 10 CYS H . . 3.080 2.779 2.572 2.950 . 0 0 "[ . 1 . 2]" 2
25 1 9 ALA HA 1 11 VAL H . . 5.500 3.881 3.583 4.171 . 0 0 "[ . 1 . 2]" 2
26 1 9 ALA HA 1 12 LEU H . . 3.760 3.312 3.095 3.560 . 0 0 "[ . 1 . 2]" 2
27 1 9 ALA HA 1 12 LEU HB2 . . 4.660 3.811 3.252 4.080 . 0 0 "[ . 1 . 2]" 2
28 1 9 ALA HA 1 12 LEU HB3 . . 2.740 2.489 2.044 2.785 0.045 10 0 "[ . 1 . 2]" 2
29 1 9 ALA HA 1 12 LEU MD2 . . 3.740 2.822 2.134 3.024 . 0 0 "[ . 1 . 2]" 2
30 1 9 ALA MB 1 12 LEU HB3 . . 5.070 3.545 3.147 3.930 . 0 0 "[ . 1 . 2]" 2
31 1 9 ALA MB 1 47 GLY HA3 . . 4.480 2.711 2.413 3.087 . 0 0 "[ . 1 . 2]" 2
32 1 9 ALA MB 1 48 ASN H . . 5.160 2.926 2.467 3.296 . 0 0 "[ . 1 . 2]" 2
33 1 9 ALA MB 1 48 ASN HA . . 5.440 2.828 2.445 3.445 . 0 0 "[ . 1 . 2]" 2
34 1 9 ALA MB 1 48 ASN HB3 . . 5.230 4.077 3.507 4.190 . 0 0 "[ . 1 . 2]" 2
35 1 9 ALA MB 1 50 PHE QE . . 7.940 4.098 3.370 4.572 . 0 0 "[ . 1 . 2]" 2
36 1 9 ALA MB 1 50 PHE HZ . . 5.100 4.016 3.671 4.153 . 0 0 "[ . 1 . 2]" 2
37 1 10 CYS H 1 10 CYS HB3 . . 2.740 2.249 2.104 2.423 . 0 0 "[ . 1 . 2]" 2
38 1 10 CYS H 1 11 VAL H . . 3.390 2.809 2.495 3.078 . 0 0 "[ . 1 . 2]" 2
39 1 10 CYS H 1 11 VAL QG . . 7.620 3.999 3.635 4.379 . 0 0 "[ . 1 . 2]" 2
40 1 10 CYS HA 1 10 CYS HB3 . . 2.680 2.550 2.429 2.600 . 0 0 "[ . 1 . 2]" 2
41 1 10 CYS HB3 1 11 VAL H . . 4.010 4.042 3.958 4.086 0.076 6 0 "[ . 1 . 2]" 2
42 1 11 VAL H 1 11 VAL HB . . 3.890 2.442 2.185 2.585 . 0 0 "[ . 1 . 2]" 2
43 1 11 VAL H 1 12 LEU H . . 2.990 2.416 2.224 2.624 . 0 0 "[ . 1 . 2]" 2
44 1 11 VAL H 1 12 LEU HB3 . . 4.880 4.136 3.826 4.280 . 0 0 "[ . 1 . 2]" 2
45 1 11 VAL QG 1 12 LEU H . . 5.700 3.531 3.391 3.634 . 0 0 "[ . 1 . 2]" 2
46 1 12 LEU H 1 12 LEU HB2 . . 3.450 2.998 2.758 3.095 . 0 0 "[ . 1 . 2]" 2
47 1 12 LEU H 1 12 LEU HB3 . . 2.900 2.114 1.982 2.180 . 0 0 "[ . 1 . 2]" 2
48 1 12 LEU H 1 12 LEU MD1 . . 5.470 4.445 4.369 4.495 . 0 0 "[ . 1 . 2]" 2
49 1 12 LEU H 1 13 PRO HD2 . . 5.000 5.017 4.965 5.048 0.048 10 0 "[ . 1 . 2]" 2
50 1 12 LEU H 1 48 ASN HB3 . . 5.280 5.094 4.872 5.296 0.016 11 0 "[ . 1 . 2]" 2
51 1 12 LEU H 1 48 ASN HD21 . . 3.580 3.645 3.541 3.664 0.084 7 0 "[ . 1 . 2]" 2
52 1 12 LEU HA 1 12 LEU HB2 . . 2.680 2.132 2.056 2.284 . 0 0 "[ . 1 . 2]" 2
53 1 12 LEU HA 1 12 LEU HG . . 3.760 3.526 3.269 3.647 . 0 0 "[ . 1 . 2]" 2
54 1 12 LEU HA 1 12 LEU MD1 . . 4.080 2.796 2.649 3.003 . 0 0 "[ . 1 . 2]" 2
55 1 12 LEU HA 1 13 PRO HG3 . . 4.660 4.364 4.298 4.588 . 0 0 "[ . 1 . 2]" 2
56 1 12 LEU HA 1 13 PRO HD2 . . 2.870 2.413 2.264 2.733 . 0 0 "[ . 1 . 2]" 2
57 1 12 LEU HA 1 13 PRO HD3 . . 2.870 2.113 2.073 2.272 . 0 0 "[ . 1 . 2]" 2
58 1 12 LEU HB2 1 13 PRO HD2 . . 3.420 3.496 3.462 3.506 0.086 20 0 "[ . 1 . 2]" 2
59 1 12 LEU HB2 1 13 PRO HD3 . . 3.950 4.028 4.002 4.042 0.092 19 0 "[ . 1 . 2]" 2
60 1 12 LEU HB2 1 46 ASN HD21 . . 4.720 4.801 4.790 4.805 0.085 19 0 "[ . 1 . 2]" 2
61 1 12 LEU HG 1 48 ASN HB2 . . 3.890 3.616 3.162 3.942 0.052 17 0 "[ . 1 . 2]" 2
62 1 12 LEU HG 1 48 ASN HB3 . . 3.640 3.719 3.707 3.724 0.084 17 0 "[ . 1 . 2]" 2
63 1 12 LEU HG 1 48 ASN HD21 . . 4.290 4.248 4.068 4.367 0.077 12 0 "[ . 1 . 2]" 2
64 1 12 LEU MD1 1 13 PRO HD2 . . 4.200 1.993 1.930 2.071 . 0 0 "[ . 1 . 2]" 2
65 1 12 LEU MD1 1 13 PRO HD3 . . 4.760 3.301 3.127 3.376 . 0 0 "[ . 1 . 2]" 2
66 1 12 LEU MD1 1 46 ASN HD21 . . 4.140 2.306 1.932 2.781 . 0 0 "[ . 1 . 2]" 2
67 1 12 LEU MD2 1 13 PRO HD2 . . 6.530 4.286 3.781 4.467 . 0 0 "[ . 1 . 2]" 2
68 1 12 LEU MD2 1 13 PRO HD3 . . 6.530 5.252 4.931 5.366 . 0 0 "[ . 1 . 2]" 2
69 1 12 LEU MD2 1 46 ASN HB2 . . 4.420 3.103 2.092 3.546 . 0 0 "[ . 1 . 2]" 2
70 1 12 LEU MD2 1 46 ASN HB3 . . 4.360 2.208 2.065 2.351 . 0 0 "[ . 1 . 2]" 2
71 1 12 LEU MD2 1 46 ASN HD21 . . 4.360 2.845 2.220 3.331 . 0 0 "[ . 1 . 2]" 2
72 1 12 LEU MD2 1 47 GLY H . . 4.420 2.942 2.280 3.355 . 0 0 "[ . 1 . 2]" 2
73 1 12 LEU MD2 1 48 ASN H . . 5.780 3.292 2.302 3.936 . 0 0 "[ . 1 . 2]" 2
74 1 12 LEU MD2 1 48 ASN HD21 . . 6.530 4.854 3.767 5.284 . 0 0 "[ . 1 . 2]" 2
75 1 13 PRO HA 1 14 ALA H . . 2.560 2.369 2.280 2.603 0.043 6 0 "[ . 1 . 2]" 2
76 1 13 PRO HB2 1 14 ALA H . . 3.330 3.166 2.254 3.404 0.074 14 0 "[ . 1 . 2]" 2
77 1 13 PRO HB3 1 14 ALA H . . 3.170 2.995 2.835 3.243 0.073 17 0 "[ . 1 . 2]" 2
78 1 14 ALA H 1 14 ALA MB . . 3.580 2.311 2.243 2.599 . 0 0 "[ . 1 . 2]" 2
79 1 14 ALA HA 1 15 VAL H . . 2.560 2.365 2.152 2.531 . 0 0 "[ . 1 . 2]" 2
80 1 14 ALA MB 1 27 ALA MB . . 5.450 2.119 1.985 2.244 . 0 0 "[ . 1 . 2]" 2
81 1 14 ALA MB 1 36 HIS HE1 . . 4.790 3.505 2.454 4.013 . 0 0 "[ . 1 . 2]" 2
82 1 14 ALA MB 1 38 PHE HB2 . . 5.570 3.671 3.181 4.225 . 0 0 "[ . 1 . 2]" 2
83 1 14 ALA MB 1 38 PHE HB3 . . 5.540 3.679 3.151 4.026 . 0 0 "[ . 1 . 2]" 2
84 1 14 ALA MB 1 38 PHE QD . . 7.040 2.996 2.657 3.395 . 0 0 "[ . 1 . 2]" 2
85 1 14 ALA MB 1 38 PHE QE . . 7.910 2.848 2.592 3.241 . 0 0 "[ . 1 . 2]" 2
86 1 14 ALA MB 1 38 PHE HZ . . 6.530 3.337 2.836 3.781 . 0 0 "[ . 1 . 2]" 2
87 1 15 VAL H 1 15 VAL HB . . 3.050 2.628 2.220 2.730 . 0 0 "[ . 1 . 2]" 2
88 1 15 VAL HA 1 16 GLN H . . 2.400 2.186 1.952 2.304 . 0 0 "[ . 1 . 2]" 2
89 1 15 VAL HB 1 16 GLN H . . 3.890 3.973 3.964 3.986 0.096 5 0 "[ . 1 . 2]" 2
90 1 15 VAL HB 1 17 GLY H . . 5.160 4.693 4.174 5.200 0.040 14 0 "[ . 1 . 2]" 2
91 1 15 VAL HB 1 45 GLY HA2 . . 5.500 3.023 2.113 3.841 . 0 0 "[ . 1 . 2]" 2
92 1 15 VAL MG1 1 16 GLN H . . 5.350 2.403 2.265 2.832 . 0 0 "[ . 1 . 2]" 2
93 1 15 VAL MG1 1 17 GLY H . . 3.800 2.329 1.941 2.687 . 0 0 "[ . 1 . 2]" 2
94 1 15 VAL MG1 1 17 GLY HA2 . . 5.190 2.752 2.503 2.919 . 0 0 "[ . 1 . 2]" 2
95 1 15 VAL MG1 1 40 TYR QE . . 6.400 4.972 4.770 5.115 . 0 0 "[ . 1 . 2]" 2
96 1 15 VAL MG1 1 45 GLY HA2 . . 4.730 2.584 2.267 2.946 . 0 0 "[ . 1 . 2]" 2
97 1 15 VAL MG1 1 45 GLY HA3 . . 4.570 3.614 3.503 3.670 . 0 0 "[ . 1 . 2]" 2
98 1 15 VAL MG1 1 46 ASN H . . 6.530 3.619 2.763 4.143 . 0 0 "[ . 1 . 2]" 2
99 1 15 VAL MG2 1 16 GLN H . . 5.010 3.767 3.638 4.107 . 0 0 "[ . 1 . 2]" 2
100 1 15 VAL MG2 1 17 GLY H . . 6.030 4.784 4.291 5.056 . 0 0 "[ . 1 . 2]" 2
101 1 15 VAL MG2 1 17 GLY HA2 . . 6.530 5.397 5.076 5.514 . 0 0 "[ . 1 . 2]" 2
102 1 15 VAL MG2 1 46 ASN H . . 5.780 3.759 2.887 4.184 . 0 0 "[ . 1 . 2]" 2
103 1 15 VAL MG2 1 46 ASN HD21 . . 4.480 3.223 2.967 3.672 . 0 0 "[ . 1 . 2]" 2
104 1 16 GLN H 1 16 GLN HB2 . . 3.050 2.549 2.292 2.795 . 0 0 "[ . 1 . 2]" 2
105 1 16 GLN H 1 16 GLN HB3 . . 3.830 3.678 3.571 3.757 . 0 0 "[ . 1 . 2]" 2
106 1 16 GLN H 1 17 GLY H . . 2.930 2.486 2.148 2.807 . 0 0 "[ . 1 . 2]" 2
107 1 16 GLN HA 1 16 GLN HE21 . . 5.500 4.312 3.812 4.682 . 0 0 "[ . 1 . 2]" 2
108 1 16 GLN HA 1 38 PHE QD . . 6.350 3.888 3.196 4.570 . 0 0 "[ . 1 . 2]" 2
109 1 16 GLN HA 1 38 PHE QE . . 5.790 3.117 2.142 3.911 . 0 0 "[ . 1 . 2]" 2
110 1 16 GLN HA 1 40 TYR QD . . 3.550 3.108 2.426 3.581 0.031 6 0 "[ . 1 . 2]" 2
111 1 16 GLN HA 1 41 GLY H . . 3.420 3.300 2.789 3.480 0.060 5 0 "[ . 1 . 2]" 2
112 1 16 GLN HB2 1 16 GLN HE22 . . 4.420 4.322 3.885 4.494 0.074 10 0 "[ . 1 . 2]" 2
113 1 16 GLN HB2 1 17 GLY H . . 3.210 2.645 2.152 3.225 0.015 11 0 "[ . 1 . 2]" 2
114 1 16 GLN HB3 1 17 GLY H . . 4.420 3.536 2.834 4.176 . 0 0 "[ . 1 . 2]" 2
115 1 16 GLN QG 1 17 GLY H . . 6.380 4.070 3.759 4.431 . 0 0 "[ . 1 . 2]" 2
116 1 16 GLN HE22 1 39 VAL HB . . 3.730 3.413 2.732 3.805 0.075 15 0 "[ . 1 . 2]" 2
117 1 17 GLY H 1 17 GLY HA2 . . 2.620 2.418 2.265 2.599 . 0 0 "[ . 1 . 2]" 2
118 1 17 GLY H 1 17 GLY HA3 . . 2.930 2.947 2.909 2.975 0.045 1 0 "[ . 1 . 2]" 2
119 1 17 GLY H 1 18 PRO HD2 . . 5.440 4.900 4.829 5.048 . 0 0 "[ . 1 . 2]" 2
120 1 17 GLY H 1 18 PRO HD3 . . 5.500 4.607 4.386 4.740 . 0 0 "[ . 1 . 2]" 2
121 1 17 GLY HA2 1 18 PRO HD2 . . 3.170 2.851 2.682 3.036 . 0 0 "[ . 1 . 2]" 2
122 1 17 GLY HA2 1 18 PRO HD3 . . 3.390 2.443 2.271 2.561 . 0 0 "[ . 1 . 2]" 2
123 1 17 GLY HA3 1 18 PRO HD2 . . 3.080 2.510 2.351 2.632 . 0 0 "[ . 1 . 2]" 2
124 1 17 GLY HA3 1 18 PRO HD3 . . 3.170 3.217 3.119 3.242 0.072 12 0 "[ . 1 . 2]" 2
125 1 18 PRO HB3 1 19 CYS H . . 4.630 4.406 4.200 4.586 . 0 0 "[ . 1 . 2]" 2
126 1 18 PRO HD2 1 19 CYS H . . 5.500 2.825 2.630 3.172 . 0 0 "[ . 1 . 2]" 2
127 1 18 PRO HD2 1 44 GLU HB3 . . 5.500 4.505 4.305 4.838 . 0 0 "[ . 1 . 2]" 2
128 1 18 PRO HD3 1 19 CYS H . . 5.190 3.985 3.874 4.180 . 0 0 "[ . 1 . 2]" 2
129 1 18 PRO HD3 1 44 GLU HB3 . . 4.480 4.280 4.014 4.544 0.064 19 0 "[ . 1 . 2]" 2
130 1 19 CYS H 1 19 CYS HB2 . . 3.210 2.521 2.304 2.827 . 0 0 "[ . 1 . 2]" 2
131 1 19 CYS H 1 19 CYS HB3 . . 3.640 3.590 3.560 3.615 . 0 0 "[ . 1 . 2]" 2
132 1 19 CYS HA 1 19 CYS HB3 . . 2.770 2.496 2.368 2.632 . 0 0 "[ . 1 . 2]" 2
133 1 19 CYS HA 1 20 ARG H . . 2.680 2.456 2.262 2.656 . 0 0 "[ . 1 . 2]" 2
134 1 19 CYS HB2 1 20 ARG H . . 3.240 3.310 3.281 3.325 0.085 7 0 "[ . 1 . 2]" 2
135 1 19 CYS HB2 1 43 CYS H . . 4.110 3.466 3.174 4.027 . 0 0 "[ . 1 . 2]" 2
136 1 19 CYS HB3 1 20 ARG H . . 2.710 2.174 1.877 2.614 . 0 0 "[ . 1 . 2]" 2
137 1 19 CYS HB3 1 43 CYS H . . 4.510 4.583 4.575 4.590 0.080 7 0 "[ . 1 . 2]" 2
138 1 20 ARG H 1 20 ARG HB2 . . 3.210 2.660 2.491 2.795 . 0 0 "[ . 1 . 2]" 2
139 1 20 ARG H 1 20 ARG HB3 . . 3.790 3.729 3.650 3.784 . 0 0 "[ . 1 . 2]" 2
140 1 20 ARG H 1 20 ARG QG . . 5.010 3.875 2.988 4.126 . 0 0 "[ . 1 . 2]" 2
141 1 20 ARG HA 1 20 ARG HB3 . . 2.740 2.566 2.420 2.601 . 0 0 "[ . 1 . 2]" 2
142 1 20 ARG HA 1 20 ARG HE . . 4.540 3.625 1.784 4.619 0.079 4 0 "[ . 1 . 2]" 2
143 1 20 ARG HA 1 21 GLY H . . 3.360 3.053 3.003 3.121 . 0 0 "[ . 1 . 2]" 2
144 1 20 ARG HA 1 22 TRP HZ2 . . 4.820 3.168 2.617 3.860 . 0 0 "[ . 1 . 2]" 2
145 1 20 ARG HB2 1 20 ARG HE . . 5.500 3.660 2.191 4.722 . 0 0 "[ . 1 . 2]" 2
146 1 20 ARG HB2 1 21 GLY H . . 3.860 3.893 3.758 3.931 0.071 10 0 "[ . 1 . 2]" 2
147 1 20 ARG HB2 1 22 TRP HZ2 . . 5.500 5.246 5.096 5.438 . 0 0 "[ . 1 . 2]" 2
148 1 20 ARG HB3 1 20 ARG HE . . 4.880 4.420 3.488 4.857 . 0 0 "[ . 1 . 2]" 2
149 1 20 ARG HB3 1 21 GLY H . . 4.110 4.198 4.194 4.206 0.096 11 0 "[ . 1 . 2]" 2
150 1 20 ARG HB3 1 22 TRP HZ2 . . 4.040 3.889 3.524 4.094 0.054 1 0 "[ . 1 . 2]" 2
151 1 20 ARG QG 1 21 GLY H . . 6.000 4.804 4.596 5.115 . 0 0 "[ . 1 . 2]" 2
152 1 20 ARG QG 1 22 TRP HZ2 . . 4.800 3.184 2.927 4.388 . 0 0 "[ . 1 . 2]" 2
153 1 20 ARG QD 1 22 TRP HZ2 . . 5.600 4.817 2.474 5.085 . 0 0 "[ . 1 . 2]" 2
154 1 21 GLY H 1 21 GLY HA3 . . 2.740 2.436 2.402 2.481 . 0 0 "[ . 1 . 2]" 2
155 1 21 GLY HA3 1 22 TRP H . . 3.080 3.063 3.028 3.104 0.024 20 0 "[ . 1 . 2]" 2
156 1 22 TRP H 1 22 TRP HB2 . . 3.170 2.677 2.619 2.769 . 0 0 "[ . 1 . 2]" 2
157 1 22 TRP H 1 23 GLU H . . 3.920 4.001 3.989 4.013 0.093 10 0 "[ . 1 . 2]" 2
158 1 22 TRP HA 1 22 TRP HB2 . . 2.990 3.028 3.010 3.037 0.047 14 0 "[ . 1 . 2]" 2
159 1 22 TRP HA 1 22 TRP HD1 . . 4.820 4.718 4.637 4.759 . 0 0 "[ . 1 . 2]" 2
160 1 22 TRP HA 1 22 TRP HE3 . . 2.870 2.183 2.100 2.304 . 0 0 "[ . 1 . 2]" 2
161 1 22 TRP HA 1 23 GLU H . . 2.460 1.981 1.908 2.058 . 0 0 "[ . 1 . 2]" 2
162 1 22 TRP HA 1 39 VAL MG1 . . 3.950 2.852 2.662 3.113 . 0 0 "[ . 1 . 2]" 2
163 1 22 TRP HA 1 41 GLY HA2 . . 3.360 2.940 2.806 3.259 . 0 0 "[ . 1 . 2]" 2
164 1 22 TRP HA 1 41 GLY HA3 . . 4.470 4.540 4.504 4.554 0.084 10 0 "[ . 1 . 2]" 2
165 1 22 TRP HB2 1 22 TRP HD1 . . 3.360 2.487 2.471 2.503 . 0 0 "[ . 1 . 2]" 2
166 1 22 TRP HB2 1 23 GLU H . . 4.660 4.223 4.012 4.403 . 0 0 "[ . 1 . 2]" 2
167 1 22 TRP HB2 1 39 VAL MG1 . . 4.450 3.547 3.369 3.642 . 0 0 "[ . 1 . 2]" 2
168 1 22 TRP HB3 1 22 TRP HD1 . . 3.790 3.407 3.263 3.515 . 0 0 "[ . 1 . 2]" 2
169 1 22 TRP HB3 1 22 TRP HE3 . . 3.730 3.406 3.287 3.565 . 0 0 "[ . 1 . 2]" 2
170 1 22 TRP HB3 1 23 GLU H . . 3.610 3.463 3.071 3.675 0.065 19 0 "[ . 1 . 2]" 2
171 1 22 TRP HB3 1 39 VAL MG1 . . 3.890 2.089 2.035 2.143 . 0 0 "[ . 1 . 2]" 2
172 1 22 TRP HD1 1 39 VAL MG1 . . 5.290 4.200 3.662 4.394 . 0 0 "[ . 1 . 2]" 2
173 1 22 TRP HD1 1 39 VAL MG2 . . 6.530 5.281 4.922 5.357 . 0 0 "[ . 1 . 2]" 2
174 1 22 TRP HE3 1 23 GLU H . . 4.380 3.579 3.412 3.707 . 0 0 "[ . 1 . 2]" 2
175 1 22 TRP HE3 1 39 VAL MG1 . . 3.770 2.258 2.156 2.347 . 0 0 "[ . 1 . 2]" 2
176 1 22 TRP HE3 1 41 GLY HA2 . . 3.360 2.844 2.332 3.396 0.036 12 0 "[ . 1 . 2]" 2
177 1 22 TRP HE3 1 41 GLY HA3 . . 4.720 3.821 3.627 3.992 . 0 0 "[ . 1 . 2]" 2
178 1 22 TRP HZ3 1 39 VAL MG1 . . 5.100 3.487 3.049 3.853 . 0 0 "[ . 1 . 2]" 2
179 1 22 TRP HZ3 1 41 GLY HA2 . . 4.320 3.762 3.226 4.387 0.067 12 0 "[ . 1 . 2]" 2
180 1 22 TRP HZ3 1 41 GLY HA3 . . 4.420 3.605 3.127 4.019 . 0 0 "[ . 1 . 2]" 2
181 1 23 GLU H 1 23 GLU HB2 . . 3.420 2.997 2.817 3.301 . 0 0 "[ . 1 . 2]" 2
182 1 23 GLU H 1 23 GLU HB3 . . 3.080 2.330 2.237 2.426 . 0 0 "[ . 1 . 2]" 2
183 1 23 GLU H 1 23 GLU HG2 . . 4.690 4.539 4.217 4.609 . 0 0 "[ . 1 . 2]" 2
184 1 23 GLU H 1 23 GLU HG3 . . 4.450 4.202 4.102 4.535 0.085 12 0 "[ . 1 . 2]" 2
185 1 23 GLU H 1 39 VAL MG1 . . 4.700 3.353 3.054 3.741 . 0 0 "[ . 1 . 2]" 2
186 1 23 GLU H 1 40 TYR H . . 3.640 3.096 2.920 3.250 . 0 0 "[ . 1 . 2]" 2
187 1 23 GLU HA 1 23 GLU HB2 . . 2.800 2.418 2.360 2.452 . 0 0 "[ . 1 . 2]" 2
188 1 23 GLU HA 1 23 GLU HB3 . . 3.020 3.051 3.015 3.068 0.048 19 0 "[ . 1 . 2]" 2
189 1 23 GLU HA 1 24 PRO HG2 . . 4.820 4.393 4.367 4.454 . 0 0 "[ . 1 . 2]" 2
190 1 23 GLU HA 1 24 PRO HG3 . . 5.500 4.621 4.578 4.649 . 0 0 "[ . 1 . 2]" 2
191 1 23 GLU HA 1 24 PRO HD2 . . 2.650 2.173 2.149 2.237 . 0 0 "[ . 1 . 2]" 2
192 1 23 GLU HA 1 24 PRO HD3 . . 2.770 2.626 2.501 2.698 . 0 0 "[ . 1 . 2]" 2
193 1 23 GLU HB2 1 40 TYR QE . . 4.940 4.782 4.523 4.848 . 0 0 "[ . 1 . 2]" 2
194 1 23 GLU HB3 1 40 TYR HB3 . . 4.260 3.440 3.155 3.712 . 0 0 "[ . 1 . 2]" 2
195 1 23 GLU HB3 1 40 TYR QE . . 3.950 3.963 3.546 3.995 0.045 9 0 "[ . 1 . 2]" 2
196 1 23 GLU HG2 1 40 TYR QE . . 4.660 2.957 2.728 4.693 0.033 12 0 "[ . 1 . 2]" 2
197 1 23 GLU HG3 1 40 TYR QE . . 5.500 3.981 3.633 5.441 . 0 0 "[ . 1 . 2]" 2
198 1 24 PRO HA 1 25 ARG H . . 2.400 2.094 2.031 2.153 . 0 0 "[ . 1 . 2]" 2
199 1 24 PRO HA 1 38 PHE H . . 3.760 3.850 3.844 3.860 0.100 4 0 "[ . 1 . 2]" 2
200 1 24 PRO HA 1 39 VAL HA . . 3.140 2.933 2.742 3.089 . 0 0 "[ . 1 . 2]" 2
201 1 24 PRO HA 1 39 VAL MG2 . . 5.230 4.024 3.628 4.193 . 0 0 "[ . 1 . 2]" 2
202 1 24 PRO HA 1 40 TYR H . . 3.670 3.440 3.293 3.714 0.044 12 0 "[ . 1 . 2]" 2
203 1 24 PRO HB2 1 25 ARG H . . 3.980 3.616 3.434 3.847 . 0 0 "[ . 1 . 2]" 2
204 1 24 PRO HB3 1 25 ARG H . . 4.230 4.061 3.913 4.252 0.022 6 0 "[ . 1 . 2]" 2
205 1 24 PRO HB3 1 39 VAL MG2 . . 6.530 4.426 3.974 4.663 . 0 0 "[ . 1 . 2]" 2
206 1 24 PRO HD2 1 25 ARG H . . 5.500 5.530 5.378 5.565 0.065 8 0 "[ . 1 . 2]" 2
207 1 25 ARG H 1 25 ARG HB2 . . 3.790 2.696 2.549 2.728 . 0 0 "[ . 1 . 2]" 2
208 1 25 ARG H 1 25 ARG HB3 . . 3.980 3.821 3.730 3.850 . 0 0 "[ . 1 . 2]" 2
209 1 25 ARG H 1 25 ARG HG3 . . 5.500 4.485 4.283 4.545 . 0 0 "[ . 1 . 2]" 2
210 1 25 ARG H 1 38 PHE H . . 3.050 2.722 2.645 2.949 . 0 0 "[ . 1 . 2]" 2
211 1 25 ARG H 1 39 VAL HA . . 3.830 3.718 3.187 3.882 0.052 15 0 "[ . 1 . 2]" 2
212 1 25 ARG HA 1 25 ARG HB3 . . 2.830 2.583 2.545 2.609 . 0 0 "[ . 1 . 2]" 2
213 1 25 ARG HA 1 25 ARG HG2 . . 3.580 2.971 2.927 3.039 . 0 0 "[ . 1 . 2]" 2
214 1 25 ARG HA 1 25 ARG HD2 . . 3.760 3.056 2.974 3.135 . 0 0 "[ . 1 . 2]" 2
215 1 25 ARG HA 1 25 ARG HD3 . . 3.140 2.046 1.995 2.146 . 0 0 "[ . 1 . 2]" 2
216 1 25 ARG HA 1 26 TRP H . . 2.680 2.564 2.474 2.636 . 0 0 "[ . 1 . 2]" 2
217 1 25 ARG HA 1 26 TRP HD1 . . 3.520 3.125 2.787 3.462 . 0 0 "[ . 1 . 2]" 2
218 1 25 ARG HB2 1 26 TRP H . . 3.420 3.446 3.311 3.486 0.066 15 0 "[ . 1 . 2]" 2
219 1 25 ARG HB3 1 25 ARG HD2 . . 3.860 2.460 2.381 2.558 . 0 0 "[ . 1 . 2]" 2
220 1 25 ARG HB3 1 25 ARG HD3 . . 3.980 3.066 3.039 3.094 . 0 0 "[ . 1 . 2]" 2
221 1 25 ARG HB3 1 26 TRP H . . 2.800 2.141 2.061 2.204 . 0 0 "[ . 1 . 2]" 2
222 1 25 ARG HB3 1 38 PHE QE . . 7.620 2.671 2.490 2.930 . 0 0 "[ . 1 . 2]" 2
223 1 25 ARG HB3 1 50 PHE H . . 4.230 3.031 2.750 3.281 . 0 0 "[ . 1 . 2]" 2
224 1 25 ARG HG2 1 38 PHE QD . . 7.130 5.728 5.571 5.846 . 0 0 "[ . 1 . 2]" 2
225 1 25 ARG HG2 1 40 TYR QE . . 4.480 4.434 4.007 4.504 0.024 15 0 "[ . 1 . 2]" 2
226 1 25 ARG HG3 1 26 TRP H . . 5.500 4.498 4.424 4.592 . 0 0 "[ . 1 . 2]" 2
227 1 25 ARG HG3 1 38 PHE QD . . 7.030 5.626 5.412 5.757 . 0 0 "[ . 1 . 2]" 2
228 1 25 ARG HG3 1 40 TYR QE . . 3.920 3.819 3.610 3.925 0.005 15 0 "[ . 1 . 2]" 2
229 1 25 ARG HD2 1 38 PHE QD . . 7.250 6.324 6.176 6.526 . 0 0 "[ . 1 . 2]" 2
230 1 25 ARG HD3 1 26 TRP H . . 5.500 3.717 3.565 3.893 . 0 0 "[ . 1 . 2]" 2
231 1 25 ARG HD3 1 38 PHE QD . . 7.440 6.453 6.376 6.583 . 0 0 "[ . 1 . 2]" 2
232 1 25 ARG HD3 1 51 HIS HA . . 3.760 3.108 2.181 3.821 0.061 7 0 "[ . 1 . 2]" 2
233 1 26 TRP H 1 26 TRP HB2 . . 3.110 2.452 2.373 2.521 . 0 0 "[ . 1 . 2]" 2
234 1 26 TRP H 1 26 TRP HB3 . . 3.610 3.631 3.587 3.665 0.055 2 0 "[ . 1 . 2]" 2
235 1 26 TRP H 1 26 TRP HD1 . . 3.860 3.243 2.940 3.390 . 0 0 "[ . 1 . 2]" 2
236 1 26 TRP H 1 38 PHE QE . . 7.620 3.160 2.886 3.336 . 0 0 "[ . 1 . 2]" 2
237 1 26 TRP H 1 50 PHE H . . 3.050 2.512 2.351 2.703 . 0 0 "[ . 1 . 2]" 2
238 1 26 TRP HA 1 26 TRP HB3 . . 2.870 2.590 2.543 2.609 . 0 0 "[ . 1 . 2]" 2
239 1 26 TRP HA 1 26 TRP HD1 . . 4.630 3.852 3.783 3.925 . 0 0 "[ . 1 . 2]" 2
240 1 26 TRP HA 1 27 ALA H . . 2.560 2.301 2.276 2.335 . 0 0 "[ . 1 . 2]" 2
241 1 26 TRP HA 1 37 PRO HA . . 3.640 2.202 2.087 2.323 . 0 0 "[ . 1 . 2]" 2
242 1 26 TRP HA 1 38 PHE H . . 3.610 3.604 3.494 3.673 0.063 11 0 "[ . 1 . 2]" 2
243 1 26 TRP HA 1 38 PHE QD . . 5.700 2.733 2.529 2.862 . 0 0 "[ . 1 . 2]" 2
244 1 26 TRP HB2 1 26 TRP HD1 . . 3.700 2.751 2.713 2.802 . 0 0 "[ . 1 . 2]" 2
245 1 26 TRP HB2 1 26 TRP HE3 . . 4.070 4.016 3.947 4.069 . 0 0 "[ . 1 . 2]" 2
246 1 26 TRP HB2 1 27 ALA H . . 4.760 4.258 4.177 4.349 . 0 0 "[ . 1 . 2]" 2
247 1 26 TRP HB2 1 50 PHE H . . 4.540 3.481 3.408 3.620 . 0 0 "[ . 1 . 2]" 2
248 1 26 TRP HB3 1 26 TRP HE3 . . 3.830 2.474 2.416 2.546 . 0 0 "[ . 1 . 2]" 2
249 1 26 TRP HB3 1 27 ALA H . . 3.330 3.134 3.065 3.285 . 0 0 "[ . 1 . 2]" 2
250 1 26 TRP HB3 1 50 PHE H . . 5.440 4.410 4.291 4.682 . 0 0 "[ . 1 . 2]" 2
251 1 26 TRP HD1 1 51 HIS HA . . 4.910 4.000 3.262 4.447 . 0 0 "[ . 1 . 2]" 2
252 1 26 TRP HD1 1 52 SER H . . 4.720 3.728 3.535 3.877 . 0 0 "[ . 1 . 2]" 2
253 1 26 TRP HD1 1 52 SER HA . . 3.520 2.875 2.758 3.045 . 0 0 "[ . 1 . 2]" 2
254 1 26 TRP HE3 1 36 HIS H . . 3.830 3.486 3.279 3.880 0.050 4 0 "[ . 1 . 2]" 2
255 1 26 TRP HE3 1 36 HIS HA . . 3.550 3.500 3.302 3.601 0.051 12 0 "[ . 1 . 2]" 2
256 1 26 TRP HE3 1 37 PRO HD3 . . 4.350 4.150 3.847 4.249 . 0 0 "[ . 1 . 2]" 2
257 1 26 TRP HE3 1 50 PHE HB2 . . 5.470 5.158 5.016 5.408 . 0 0 "[ . 1 . 2]" 2
258 1 26 TRP HE3 1 50 PHE HB3 . . 5.870 5.956 5.951 5.962 0.092 18 0 "[ . 1 . 2]" 2
259 1 26 TRP HE3 1 50 PHE QB . . 5.550 4.863 4.766 5.022 . 0 0 "[ . 1 . 2]" 2
260 1 26 TRP HE3 1 53 ARG HA . . 3.610 2.766 2.609 3.055 . 0 0 "[ . 1 . 2]" 2
261 1 26 TRP HE3 1 53 ARG HB2 . . 5.500 3.858 3.206 4.215 . 0 0 "[ . 1 . 2]" 2
262 1 26 TRP HE3 1 53 ARG HB3 . . 5.500 5.248 4.627 5.561 0.061 3 0 "[ . 1 . 2]" 2
263 1 26 TRP HE3 1 53 ARG QB . . 5.210 3.764 3.153 4.095 . 0 0 "[ . 1 . 2]" 2
264 1 26 TRP HE3 1 53 ARG HG2 . . 5.500 5.139 4.133 5.389 . 0 0 "[ . 1 . 2]" 2
265 1 26 TRP HE3 1 53 ARG HD3 . . 3.300 3.389 3.386 3.392 0.092 18 0 "[ . 1 . 2]" 2
266 1 26 TRP HE1 1 52 SER HA . . 3.610 3.143 2.972 3.339 . 0 0 "[ . 1 . 2]" 2
267 1 26 TRP HE1 1 52 SER HB2 . . 5.500 5.390 5.184 5.554 0.054 10 0 "[ . 1 . 2]" 2
268 1 26 TRP HE1 1 52 SER HB3 . . 5.500 5.148 4.896 5.410 . 0 0 "[ . 1 . 2]" 2
269 1 26 TRP HE1 1 53 ARG H . . 4.420 3.917 3.760 4.345 . 0 0 "[ . 1 . 2]" 2
270 1 26 TRP HE1 1 53 ARG QB . . 6.380 4.464 4.147 4.971 . 0 0 "[ . 1 . 2]" 2
271 1 26 TRP HZ3 1 36 HIS HA . . 3.140 2.334 2.175 2.679 . 0 0 "[ . 1 . 2]" 2
272 1 26 TRP HZ3 1 37 PRO HG3 . . 4.010 4.061 3.977 4.078 0.068 12 0 "[ . 1 . 2]" 2
273 1 26 TRP HZ3 1 37 PRO HD2 . . 4.260 4.288 3.993 4.332 0.072 18 0 "[ . 1 . 2]" 2
274 1 26 TRP HZ3 1 37 PRO HD3 . . 3.700 2.638 2.354 2.678 . 0 0 "[ . 1 . 2]" 2
275 1 26 TRP HZ3 1 53 ARG HA . . 5.070 3.941 3.737 4.406 . 0 0 "[ . 1 . 2]" 2
276 1 26 TRP HZ3 1 53 ARG HB2 . . 5.500 3.606 3.281 3.860 . 0 0 "[ . 1 . 2]" 2
277 1 26 TRP HZ3 1 53 ARG HB3 . . 5.500 5.174 4.730 5.441 . 0 0 "[ . 1 . 2]" 2
278 1 26 TRP HZ3 1 53 ARG QB . . 5.200 3.541 3.224 3.783 . 0 0 "[ . 1 . 2]" 2
279 1 26 TRP HZ3 1 53 ARG HG2 . . 5.500 4.297 4.169 4.609 . 0 0 "[ . 1 . 2]" 2
280 1 26 TRP HZ3 1 53 ARG HD3 . . 3.360 2.072 2.006 2.220 . 0 0 "[ . 1 . 2]" 2
281 1 26 TRP HZ2 1 53 ARG QB . . 5.510 3.312 2.924 4.167 . 0 0 "[ . 1 . 2]" 2
282 1 26 TRP HH2 1 36 HIS HA . . 4.630 4.129 3.978 4.498 . 0 0 "[ . 1 . 2]" 2
283 1 26 TRP HH2 1 53 ARG QB . . 5.880 3.153 2.939 3.790 . 0 0 "[ . 1 . 2]" 2
284 1 26 TRP HH2 1 53 ARG HD2 . . 4.380 4.460 4.435 4.465 0.085 20 0 "[ . 1 . 2]" 2
285 1 26 TRP HH2 1 53 ARG HD3 . . 4.200 2.994 2.881 3.167 . 0 0 "[ . 1 . 2]" 2
286 1 27 ALA H 1 36 HIS H . . 3.110 2.831 2.729 2.893 . 0 0 "[ . 1 . 2]" 2
287 1 27 ALA H 1 37 PRO HA . . 3.790 3.784 3.645 3.858 0.068 18 0 "[ . 1 . 2]" 2
288 1 27 ALA H 1 38 PHE QD . . 6.750 3.022 2.838 3.203 . 0 0 "[ . 1 . 2]" 2
289 1 27 ALA HA 1 28 TYR H . . 2.590 2.226 2.192 2.278 . 0 0 "[ . 1 . 2]" 2
290 1 27 ALA HA 1 38 PHE QD . . 7.620 4.445 4.204 4.717 . 0 0 "[ . 1 . 2]" 2
291 1 27 ALA HA 1 38 PHE QE . . 7.620 3.758 3.491 3.997 . 0 0 "[ . 1 . 2]" 2
292 1 27 ALA HA 1 48 ASN HD21 . . 5.500 4.908 4.820 5.019 . 0 0 "[ . 1 . 2]" 2
293 1 27 ALA MB 1 28 TYR H . . 4.110 2.719 2.607 2.816 . 0 0 "[ . 1 . 2]" 2
294 1 27 ALA MB 1 36 HIS H . . 6.530 4.059 3.951 4.204 . 0 0 "[ . 1 . 2]" 2
295 1 27 ALA MB 1 36 HIS HD2 . . 6.530 4.919 4.696 5.173 . 0 0 "[ . 1 . 2]" 2
296 1 27 ALA MB 1 36 HIS HE1 . . 6.060 3.311 2.626 3.758 . 0 0 "[ . 1 . 2]" 2
297 1 27 ALA MB 1 38 PHE QD . . 6.510 2.849 2.660 2.998 . 0 0 "[ . 1 . 2]" 2
298 1 27 ALA MB 1 38 PHE QE . . 6.290 2.587 2.287 2.829 . 0 0 "[ . 1 . 2]" 2
299 1 27 ALA MB 1 38 PHE HZ . . 5.690 3.706 3.502 4.137 . 0 0 "[ . 1 . 2]" 2
300 1 27 ALA MB 1 48 ASN HD21 . . 4.260 3.278 3.245 3.305 . 0 0 "[ . 1 . 2]" 2
301 1 28 TYR H 1 28 TYR HB2 . . 2.900 2.649 2.539 2.764 . 0 0 "[ . 1 . 2]" 2
302 1 28 TYR H 1 28 TYR HB3 . . 2.900 2.492 2.389 2.559 . 0 0 "[ . 1 . 2]" 2
303 1 28 TYR H 1 48 ASN HD22 . . 3.110 2.338 2.215 2.490 . 0 0 "[ . 1 . 2]" 2
304 1 28 TYR HA 1 28 TYR QD . . 4.450 2.903 2.355 3.277 . 0 0 "[ . 1 . 2]" 2
305 1 28 TYR HA 1 29 SER H . . 2.520 2.222 2.196 2.253 . 0 0 "[ . 1 . 2]" 2
306 1 28 TYR HA 1 35 CYS HA . . 2.710 2.004 1.910 2.167 . 0 0 "[ . 1 . 2]" 2
307 1 28 TYR HA 1 36 HIS H . . 3.480 3.558 3.546 3.565 0.085 3 0 "[ . 1 . 2]" 2
308 1 28 TYR HA 1 36 HIS HD2 . . 5.500 4.891 4.697 5.050 . 0 0 "[ . 1 . 2]" 2
309 1 28 TYR HB2 1 48 ASN HD22 . . 4.000 4.071 4.057 4.083 0.083 7 0 "[ . 1 . 2]" 2
310 1 28 TYR HB3 1 28 TYR QD . . 3.330 2.423 2.326 2.549 . 0 0 "[ . 1 . 2]" 2
311 1 28 TYR HB3 1 48 ASN HD22 . . 3.730 2.771 2.709 2.850 . 0 0 "[ . 1 . 2]" 2
312 1 28 TYR QD 1 30 PRO HG3 . . 5.190 4.264 3.978 4.641 . 0 0 "[ . 1 . 2]" 2
313 1 28 TYR QD 1 30 PRO QD . . 6.280 2.436 2.231 2.941 . 0 0 "[ . 1 . 2]" 2
314 1 28 TYR QE 1 30 PRO HA . . 3.210 2.351 2.106 3.155 . 0 0 "[ . 1 . 2]" 2
315 1 28 TYR QE 1 30 PRO HB3 . . 5.380 2.417 2.299 2.518 . 0 0 "[ . 1 . 2]" 2
316 1 28 TYR QE 1 30 PRO HG3 . . 4.350 4.301 4.020 4.404 0.054 8 0 "[ . 1 . 2]" 2
317 1 28 TYR QE 1 33 GLN HA . . 5.190 3.603 3.299 3.951 . 0 0 "[ . 1 . 2]" 2
318 1 28 TYR QE 1 34 GLN HA . . 4.140 2.996 2.165 4.136 . 0 0 "[ . 1 . 2]" 2
319 1 29 SER H 1 29 SER HB2 . . 2.900 2.473 2.413 2.532 . 0 0 "[ . 1 . 2]" 2
320 1 29 SER H 1 29 SER HB3 . . 3.730 3.677 3.646 3.727 . 0 0 "[ . 1 . 2]" 2
321 1 29 SER H 1 34 GLN H . . 3.420 3.045 2.965 3.207 . 0 0 "[ . 1 . 2]" 2
322 1 29 SER H 1 35 CYS HA . . 3.170 2.933 2.819 3.129 . 0 0 "[ . 1 . 2]" 2
323 1 29 SER HA 1 29 SER HB3 . . 3.020 2.635 2.609 2.656 . 0 0 "[ . 1 . 2]" 2
324 1 29 SER HA 1 31 LEU H . . 3.730 3.692 3.579 3.799 0.069 20 0 "[ . 1 . 2]" 2
325 1 29 SER HA 1 36 HIS HD2 . . 5.500 4.692 4.609 4.757 . 0 0 "[ . 1 . 2]" 2
326 1 29 SER HB2 1 32 LEU H . . 3.420 3.500 3.495 3.508 0.088 6 0 "[ . 1 . 2]" 2
327 1 29 SER HB2 1 32 LEU HB2 . . 3.300 2.157 2.127 2.191 . 0 0 "[ . 1 . 2]" 2
328 1 29 SER HB2 1 32 LEU HB3 . . 3.580 3.531 3.467 3.588 0.008 1 0 "[ . 1 . 2]" 2
329 1 29 SER HB2 1 32 LEU MD1 . . 5.540 2.453 2.350 2.567 . 0 0 "[ . 1 . 2]" 2
330 1 29 SER HB2 1 34 GLN H . . 5.470 3.566 3.473 3.663 . 0 0 "[ . 1 . 2]" 2
331 1 29 SER HB2 1 36 HIS HD2 . . 3.980 2.303 2.052 2.514 . 0 0 "[ . 1 . 2]" 2
332 1 29 SER HB3 1 32 LEU HB2 . . 3.890 2.390 2.369 2.408 . 0 0 "[ . 1 . 2]" 2
333 1 29 SER HB3 1 32 LEU HB3 . . 3.980 4.056 4.041 4.062 0.082 20 0 "[ . 1 . 2]" 2
334 1 29 SER HB3 1 32 LEU MD1 . . 5.750 2.403 2.330 2.471 . 0 0 "[ . 1 . 2]" 2
335 1 29 SER HB3 1 36 HIS HD2 . . 3.300 3.389 3.383 3.394 0.094 6 0 "[ . 1 . 2]" 2
336 1 30 PRO HA 1 33 GLN HA . . 4.480 2.628 2.455 2.800 . 0 0 "[ . 1 . 2]" 2
337 1 30 PRO HA 1 34 GLN H . . 4.380 3.964 3.876 4.049 . 0 0 "[ . 1 . 2]" 2
338 1 30 PRO HB2 1 31 LEU H . . 3.330 3.381 3.317 3.395 0.065 19 0 "[ . 1 . 2]" 2
339 1 30 PRO HB3 1 31 LEU H . . 4.570 4.161 4.095 4.222 . 0 0 "[ . 1 . 2]" 2
340 1 30 PRO HG2 1 31 LEU H . . 4.450 2.346 2.206 2.583 . 0 0 "[ . 1 . 2]" 2
341 1 31 LEU H 1 31 LEU HB2 . . 3.980 2.293 2.258 2.542 . 0 0 "[ . 1 . 2]" 2
342 1 31 LEU H 1 31 LEU HB3 . . 3.480 3.544 3.540 3.556 0.076 7 0 "[ . 1 . 2]" 2
343 1 31 LEU H 1 31 LEU HG . . 3.210 2.648 2.572 2.882 . 0 0 "[ . 1 . 2]" 2
344 1 31 LEU H 1 33 GLN H . . 3.760 3.827 3.814 3.838 0.078 14 0 "[ . 1 . 2]" 2
345 1 31 LEU HA 1 31 LEU HB2 . . 2.990 3.009 3.000 3.047 0.057 19 0 "[ . 1 . 2]" 2
346 1 31 LEU HA 1 31 LEU HB3 . . 2.770 2.581 2.429 2.621 . 0 0 "[ . 1 . 2]" 2
347 1 31 LEU HA 1 31 LEU HG . . 2.590 2.615 2.406 2.644 0.054 8 0 "[ . 1 . 2]" 2
348 1 31 LEU HA 1 31 LEU MD1 . . 4.330 3.748 3.555 3.765 . 0 0 "[ . 1 . 2]" 2
349 1 31 LEU HA 1 31 LEU MD2 . . 4.020 2.221 2.076 3.334 . 0 0 "[ . 1 . 2]" 2
350 1 31 LEU HA 1 32 LEU H . . 3.420 3.473 3.442 3.491 0.071 6 0 "[ . 1 . 2]" 2
351 1 31 LEU MD1 1 32 LEU H . . 6.530 4.944 4.104 5.127 . 0 0 "[ . 1 . 2]" 2
352 1 31 LEU MD2 1 32 LEU H . . 6.530 5.000 4.907 5.324 . 0 0 "[ . 1 . 2]" 2
353 1 32 LEU H 1 32 LEU HB2 . . 3.080 2.290 2.237 2.349 . 0 0 "[ . 1 . 2]" 2
354 1 32 LEU H 1 32 LEU HB3 . . 3.580 3.554 3.524 3.582 0.002 7 0 "[ . 1 . 2]" 2
355 1 32 LEU H 1 32 LEU HG . . 3.420 3.260 3.201 3.386 . 0 0 "[ . 1 . 2]" 2
356 1 32 LEU H 1 32 LEU MD1 . . 5.660 3.872 3.809 3.952 . 0 0 "[ . 1 . 2]" 2
357 1 32 LEU H 1 32 LEU MD2 . . 5.320 4.193 4.160 4.253 . 0 0 "[ . 1 . 2]" 2
358 1 32 LEU H 1 33 GLN H . . 2.400 1.986 1.854 2.080 . 0 0 "[ . 1 . 2]" 2
359 1 32 LEU H 1 33 GLN HA . . 3.980 3.966 3.841 4.040 0.060 6 0 "[ . 1 . 2]" 2
360 1 32 LEU HA 1 32 LEU HB3 . . 2.650 2.646 2.626 2.660 0.010 20 0 "[ . 1 . 2]" 2
361 1 32 LEU HA 1 32 LEU HG . . 2.710 2.770 2.760 2.776 0.066 6 0 "[ . 1 . 2]" 2
362 1 32 LEU HA 1 32 LEU MD2 . . 3.950 2.128 2.115 2.141 . 0 0 "[ . 1 . 2]" 2
363 1 32 LEU HA 1 33 GLN H . . 3.390 3.338 3.292 3.387 . 0 0 "[ . 1 . 2]" 2
364 1 32 LEU HB2 1 33 GLN H . . 3.360 3.436 3.421 3.441 0.081 9 0 "[ . 1 . 2]" 2
365 1 32 LEU HB2 1 34 GLN H . . 3.360 3.041 2.872 3.116 . 0 0 "[ . 1 . 2]" 2
366 1 32 LEU HB3 1 33 GLN H . . 4.040 4.089 4.063 4.100 0.060 3 0 "[ . 1 . 2]" 2
367 1 32 LEU HB3 1 34 GLN H . . 3.450 3.456 3.221 3.512 0.062 16 0 "[ . 1 . 2]" 2
368 1 32 LEU MD1 1 36 HIS HD2 . . 5.750 2.287 2.177 2.479 . 0 0 "[ . 1 . 2]" 2
369 1 33 GLN H 1 33 GLN HA . . 2.400 2.162 2.041 2.222 . 0 0 "[ . 1 . 2]" 2
370 1 33 GLN H 1 33 GLN HB2 . . 3.080 2.839 2.773 2.887 . 0 0 "[ . 1 . 2]" 2
371 1 33 GLN H 1 33 GLN HB3 . . 3.640 3.598 3.520 3.638 . 0 0 "[ . 1 . 2]" 2
372 1 33 GLN H 1 33 GLN HG2 . . 4.170 4.251 4.215 4.272 0.102 3 0 "[ . 1 . 2]" 2
373 1 33 GLN H 1 33 GLN HG3 . . 5.500 4.465 4.012 4.780 . 0 0 "[ . 1 . 2]" 2
374 1 33 GLN H 1 34 GLN H . . 2.930 2.858 2.800 2.899 . 0 0 "[ . 1 . 2]" 2
375 1 33 GLN HA 1 33 GLN HB3 . . 3.050 3.041 3.023 3.053 0.003 9 0 "[ . 1 . 2]" 2
376 1 33 GLN HA 1 33 GLN HG2 . . 3.300 2.303 2.259 2.482 . 0 0 "[ . 1 . 2]" 2
377 1 33 GLN HA 1 34 GLN H . . 3.140 2.853 2.728 3.084 . 0 0 "[ . 1 . 2]" 2
378 1 34 GLN H 1 34 GLN HB2 . . 3.420 3.277 3.161 3.431 0.011 3 0 "[ . 1 . 2]" 2
379 1 34 GLN H 1 34 GLN HG2 . . 5.500 4.895 4.766 5.284 . 0 0 "[ . 1 . 2]" 2
380 1 34 GLN H 1 34 GLN HG3 . . 5.500 4.851 4.795 5.015 . 0 0 "[ . 1 . 2]" 2
381 1 34 GLN HA 1 34 GLN HB3 . . 3.050 3.029 3.017 3.049 . 0 0 "[ . 1 . 2]" 2
382 1 34 GLN HA 1 35 CYS H . . 2.560 2.446 2.365 2.525 . 0 0 "[ . 1 . 2]" 2
383 1 34 GLN HB2 1 35 CYS H . . 5.500 3.930 3.786 3.994 . 0 0 "[ . 1 . 2]" 2
384 1 34 GLN HB3 1 35 CYS H . . 3.170 3.250 3.229 3.259 0.089 14 0 "[ . 1 . 2]" 2
385 1 34 GLN HG2 1 35 CYS H . . 5.500 2.213 1.769 3.614 . 0 0 "[ . 1 . 2]" 2
386 1 34 GLN HG3 1 35 CYS H . . 5.500 2.804 2.230 3.396 . 0 0 "[ . 1 . 2]" 2
387 1 35 CYS H 1 35 CYS HB2 . . 2.830 2.499 2.419 2.694 . 0 0 "[ . 1 . 2]" 2
388 1 35 CYS H 1 35 CYS HB3 . . 3.670 3.687 3.572 3.735 0.065 14 0 "[ . 1 . 2]" 2
389 1 35 CYS HA 1 36 HIS H . . 2.590 2.134 2.081 2.180 . 0 0 "[ . 1 . 2]" 2
390 1 35 CYS HA 1 36 HIS HD2 . . 4.690 4.028 3.839 4.339 . 0 0 "[ . 1 . 2]" 2
391 1 35 CYS HB2 1 36 HIS H . . 3.790 3.857 3.764 3.868 0.078 16 0 "[ . 1 . 2]" 2
392 1 35 CYS HB3 1 36 HIS H . . 3.110 2.681 2.579 2.959 . 0 0 "[ . 1 . 2]" 2
393 1 36 HIS H 1 36 HIS HB3 . . 4.070 3.312 3.214 3.357 . 0 0 "[ . 1 . 2]" 2
394 1 36 HIS H 1 36 HIS HD2 . . 3.670 3.512 3.319 3.717 0.047 8 0 "[ . 1 . 2]" 2
395 1 36 HIS HA 1 36 HIS HB2 . . 2.800 2.432 2.410 2.450 . 0 0 "[ . 1 . 2]" 2
396 1 36 HIS HA 1 36 HIS HB3 . . 2.710 2.458 2.446 2.468 . 0 0 "[ . 1 . 2]" 2
397 1 36 HIS HA 1 37 PRO HD2 . . 3.170 2.918 2.796 2.999 . 0 0 "[ . 1 . 2]" 2
398 1 36 HIS HA 1 37 PRO HD3 . . 2.770 2.153 2.106 2.365 . 0 0 "[ . 1 . 2]" 2
399 1 36 HIS HE1 1 38 PHE HB2 . . 4.350 3.737 3.317 4.200 . 0 0 "[ . 1 . 2]" 2
400 1 36 HIS HE1 1 38 PHE HB3 . . 3.550 2.790 2.574 3.013 . 0 0 "[ . 1 . 2]" 2
401 1 37 PRO HA 1 38 PHE H . . 2.490 2.548 2.496 2.560 0.070 4 0 "[ . 1 . 2]" 2
402 1 37 PRO HA 1 38 PHE QD . . 7.190 3.568 3.470 3.710 . 0 0 "[ . 1 . 2]" 2
403 1 37 PRO HB2 1 38 PHE H . . 3.700 3.004 2.703 3.371 . 0 0 "[ . 1 . 2]" 2
404 1 37 PRO HB3 1 38 PHE H . . 3.360 3.319 3.037 3.440 0.080 2 0 "[ . 1 . 2]" 2
405 1 38 PHE H 1 38 PHE HB3 . . 4.110 3.447 3.386 3.549 . 0 0 "[ . 1 . 2]" 2
406 1 38 PHE HA 1 38 PHE HB2 . . 2.650 2.334 2.317 2.352 . 0 0 "[ . 1 . 2]" 2
407 1 38 PHE HA 1 38 PHE HB3 . . 2.590 2.550 2.506 2.579 . 0 0 "[ . 1 . 2]" 2
408 1 38 PHE HA 1 39 VAL H . . 2.680 2.487 2.393 2.698 0.018 12 0 "[ . 1 . 2]" 2
409 1 38 PHE HA 1 39 VAL MG2 . . 4.880 3.560 3.093 3.744 . 0 0 "[ . 1 . 2]" 2
410 1 38 PHE HB2 1 39 VAL H . . 2.930 2.480 2.375 2.575 . 0 0 "[ . 1 . 2]" 2
411 1 38 PHE HB3 1 39 VAL H . . 4.480 3.894 3.819 3.950 . 0 0 "[ . 1 . 2]" 2
412 1 38 PHE QD 1 39 VAL H . . 6.540 3.037 2.594 3.359 . 0 0 "[ . 1 . 2]" 2
413 1 38 PHE QD 1 40 TYR HB2 . . 6.510 3.697 3.453 3.934 . 0 0 "[ . 1 . 2]" 2
414 1 38 PHE QD 1 40 TYR HB3 . . 5.730 4.746 4.579 4.882 . 0 0 "[ . 1 . 2]" 2
415 1 38 PHE QE 1 40 TYR HA . . 6.200 3.052 2.631 3.504 . 0 0 "[ . 1 . 2]" 2
416 1 38 PHE QE 1 40 TYR HB2 . . 7.590 2.495 2.292 2.653 . 0 0 "[ . 1 . 2]" 2
417 1 38 PHE QE 1 40 TYR HB3 . . 7.620 4.044 3.858 4.117 . 0 0 "[ . 1 . 2]" 2
418 1 38 PHE QE 1 40 TYR QD . . 6.820 3.144 2.878 3.434 . 0 0 "[ . 1 . 2]" 2
419 1 38 PHE QE 1 49 ASN HB2 . . 7.620 4.324 4.016 4.594 . 0 0 "[ . 1 . 2]" 2
420 1 38 PHE QE 1 49 ASN HB3 . . 7.620 5.283 4.988 5.588 . 0 0 "[ . 1 . 2]" 2
421 1 38 PHE QE 1 50 PHE H . . 7.060 3.122 2.993 3.365 . 0 0 "[ . 1 . 2]" 2
422 1 38 PHE HZ 1 49 ASN HA . . 4.350 3.010 2.841 3.305 . 0 0 "[ . 1 . 2]" 2
423 1 38 PHE HZ 1 49 ASN HB2 . . 4.720 3.365 2.965 3.662 . 0 0 "[ . 1 . 2]" 2
424 1 38 PHE HZ 1 49 ASN HB3 . . 4.970 4.817 4.575 5.036 0.066 4 0 "[ . 1 . 2]" 2
425 1 38 PHE HZ 1 49 ASN QB . . 4.550 3.303 2.930 3.577 . 0 0 "[ . 1 . 2]" 2
426 1 39 VAL H 1 39 VAL HB . . 2.560 2.436 2.259 2.634 0.074 12 0 "[ . 1 . 2]" 2
427 1 39 VAL H 1 39 VAL MG1 . . 4.790 3.741 3.648 3.822 . 0 0 "[ . 1 . 2]" 2
428 1 39 VAL H 1 39 VAL MG2 . . 3.710 2.600 2.375 2.859 . 0 0 "[ . 1 . 2]" 2
429 1 39 VAL HA 1 39 VAL MG1 . . 3.610 2.391 2.265 2.524 . 0 0 "[ . 1 . 2]" 2
430 1 39 VAL HA 1 39 VAL MG2 . . 3.610 2.399 2.300 2.597 . 0 0 "[ . 1 . 2]" 2
431 1 39 VAL HA 1 40 TYR H . . 2.590 2.168 2.119 2.223 . 0 0 "[ . 1 . 2]" 2
432 1 39 VAL MG1 1 40 TYR H . . 4.610 2.940 2.693 3.120 . 0 0 "[ . 1 . 2]" 2
433 1 39 VAL MG2 1 40 TYR H . . 5.690 4.128 3.985 4.354 . 0 0 "[ . 1 . 2]" 2
434 1 40 TYR H 1 40 TYR HB2 . . 3.480 3.178 3.011 3.309 . 0 0 "[ . 1 . 2]" 2
435 1 40 TYR H 1 40 TYR HB3 . . 3.270 2.332 2.168 2.503 . 0 0 "[ . 1 . 2]" 2
436 1 40 TYR HA 1 40 TYR HB2 . . 2.870 2.359 2.338 2.416 . 0 0 "[ . 1 . 2]" 2
437 1 40 TYR HA 1 40 TYR QD . . 3.270 2.689 2.537 3.194 . 0 0 "[ . 1 . 2]" 2
438 1 40 TYR HA 1 41 GLY H . . 2.960 2.480 2.269 2.644 . 0 0 "[ . 1 . 2]" 2
439 1 40 TYR HB2 1 41 GLY H . . 5.500 3.907 3.848 4.076 . 0 0 "[ . 1 . 2]" 2
440 1 40 TYR HB3 1 41 GLY H . . 4.570 4.031 3.798 4.304 . 0 0 "[ . 1 . 2]" 2
441 1 40 TYR QD 1 42 GLY HA2 . . 4.850 3.584 3.138 3.972 . 0 0 "[ . 1 . 2]" 2
442 1 40 TYR QE 1 42 GLY H . . 3.920 2.946 2.614 3.222 . 0 0 "[ . 1 . 2]" 2
443 1 40 TYR QE 1 42 GLY HA2 . . 2.930 2.221 2.150 2.274 . 0 0 "[ . 1 . 2]" 2
444 1 40 TYR QE 1 42 GLY HA3 . . 3.890 3.889 3.774 3.914 0.024 11 0 "[ . 1 . 2]" 2
445 1 40 TYR QE 1 45 GLY HA2 . . 3.860 3.918 3.892 3.929 0.069 13 0 "[ . 1 . 2]" 2
446 1 40 TYR QE 1 45 GLY HA3 . . 3.360 2.413 2.248 2.608 . 0 0 "[ . 1 . 2]" 2
447 1 40 TYR QD 1 41 GLY H . . 4.040 2.593 2.354 3.157 . 0 0 "[ . 1 . 2]" 2
448 1 40 TYR QD 1 42 GLY H . . 5.500 2.957 2.726 3.053 . 0 0 "[ . 1 . 2]" 2
449 1 40 TYR QD 1 49 ASN HD22 . . 5.310 2.968 2.857 3.140 . 0 0 "[ . 1 . 2]" 2
450 1 41 GLY H 1 41 GLY HA3 . . 2.900 2.380 2.289 2.505 . 0 0 "[ . 1 . 2]" 2
451 1 41 GLY H 1 42 GLY H . . 3.390 2.530 2.253 2.816 . 0 0 "[ . 1 . 2]" 2
452 1 42 GLY H 1 42 GLY HA2 . . 2.710 2.288 2.253 2.360 . 0 0 "[ . 1 . 2]" 2
453 1 42 GLY H 1 43 CYS H . . 3.270 3.106 2.793 3.329 0.059 7 0 "[ . 1 . 2]" 2
454 1 43 CYS HA 1 43 CYS HB2 . . 2.590 2.400 2.286 2.605 0.015 3 0 "[ . 1 . 2]" 2
455 1 43 CYS HA 1 43 CYS HB3 . . 2.710 2.437 2.301 2.518 . 0 0 "[ . 1 . 2]" 2
456 1 43 CYS HA 1 44 GLU H . . 2.770 2.721 2.583 2.795 0.025 5 0 "[ . 1 . 2]" 2
457 1 43 CYS HB2 1 44 GLU H . . 3.300 2.175 1.959 2.317 . 0 0 "[ . 1 . 2]" 2
458 1 43 CYS HB3 1 44 GLU H . . 5.500 3.605 3.291 3.740 . 0 0 "[ . 1 . 2]" 2
459 1 44 GLU H 1 44 GLU HA . . 2.590 2.634 2.577 2.650 0.060 14 0 "[ . 1 . 2]" 2
460 1 44 GLU H 1 44 GLU HB2 . . 3.760 2.836 2.763 2.886 . 0 0 "[ . 1 . 2]" 2
461 1 44 GLU H 1 44 GLU HG2 . . 4.170 3.614 3.581 3.662 . 0 0 "[ . 1 . 2]" 2
462 1 44 GLU H 1 44 GLU HG3 . . 4.170 2.617 2.535 2.715 . 0 0 "[ . 1 . 2]" 2
463 1 44 GLU H 1 44 GLU QG . . 3.930 2.558 2.487 2.641 . 0 0 "[ . 1 . 2]" 2
464 1 44 GLU H 1 45 GLY H . . 5.250 4.624 4.547 4.655 . 0 0 "[ . 1 . 2]" 2
465 1 44 GLU HA 1 44 GLU HB3 . . 2.800 2.389 2.360 2.443 . 0 0 "[ . 1 . 2]" 2
466 1 44 GLU HA 1 44 GLU HG2 . . 3.480 3.561 3.550 3.566 0.086 2 0 "[ . 1 . 2]" 2
467 1 44 GLU HA 1 44 GLU HG3 . . 3.480 2.451 2.389 2.492 . 0 0 "[ . 1 . 2]" 2
468 1 44 GLU HA 1 45 GLY H . . 3.610 2.243 2.154 2.282 . 0 0 "[ . 1 . 2]" 2
469 1 44 GLU HB2 1 45 GLY H . . 4.200 4.079 4.043 4.148 . 0 0 "[ . 1 . 2]" 2
470 1 44 GLU HB3 1 45 GLY H . . 3.210 3.098 3.056 3.157 . 0 0 "[ . 1 . 2]" 2
471 1 44 GLU QG 1 45 GLY H . . 6.380 4.187 4.077 4.264 . 0 0 "[ . 1 . 2]" 2
472 1 45 GLY HA2 1 46 ASN H . . 3.330 2.705 2.490 2.856 . 0 0 "[ . 1 . 2]" 2
473 1 45 GLY HA3 1 46 ASN H . . 3.140 2.617 2.513 2.769 . 0 0 "[ . 1 . 2]" 2
474 1 46 ASN H 1 46 ASN HB2 . . 3.420 2.730 2.475 2.955 . 0 0 "[ . 1 . 2]" 2
475 1 46 ASN H 1 46 ASN HB3 . . 4.010 3.744 3.629 3.791 . 0 0 "[ . 1 . 2]" 2
476 1 46 ASN HA 1 46 ASN HB3 . . 2.740 2.384 2.251 2.493 . 0 0 "[ . 1 . 2]" 2
477 1 46 ASN HA 1 47 GLY H . . 2.930 2.543 2.462 2.698 . 0 0 "[ . 1 . 2]" 2
478 1 46 ASN HB2 1 46 ASN HD21 . . 3.520 2.682 2.399 3.203 . 0 0 "[ . 1 . 2]" 2
479 1 46 ASN HB2 1 47 GLY H . . 2.830 2.916 2.909 2.921 0.091 17 0 "[ . 1 . 2]" 2
480 1 46 ASN HB3 1 47 GLY H . . 3.110 1.954 1.739 2.266 . 0 0 "[ . 1 . 2]" 2
481 1 47 GLY H 1 47 GLY HA3 . . 2.740 2.341 2.257 2.388 . 0 0 "[ . 1 . 2]" 2
482 1 48 ASN H 1 48 ASN HB2 . . 3.080 2.637 2.484 2.832 . 0 0 "[ . 1 . 2]" 2
483 1 48 ASN H 1 48 ASN HB3 . . 3.360 2.577 2.426 2.842 . 0 0 "[ . 1 . 2]" 2
484 1 48 ASN HA 1 49 ASN H . . 2.740 2.363 2.230 2.464 . 0 0 "[ . 1 . 2]" 2
485 1 48 ASN HB3 1 48 ASN HD21 . . 3.170 2.652 2.477 2.751 . 0 0 "[ . 1 . 2]" 2
486 1 49 ASN H 1 49 ASN HB2 . . 3.550 3.083 2.924 3.207 . 0 0 "[ . 1 . 2]" 2
487 1 49 ASN H 1 49 ASN HB3 . . 3.550 2.750 2.636 2.859 . 0 0 "[ . 1 . 2]" 2
488 1 49 ASN H 1 49 ASN QB . . 3.360 2.567 2.462 2.639 . 0 0 "[ . 1 . 2]" 2
489 1 49 ASN HA 1 50 PHE H . . 2.590 2.166 2.140 2.214 . 0 0 "[ . 1 . 2]" 2
490 1 49 ASN HA 1 50 PHE QD . . 7.620 3.842 3.501 4.353 . 0 0 "[ . 1 . 2]" 2
491 1 49 ASN HB2 1 50 PHE H . . 4.850 4.527 4.480 4.574 . 0 0 "[ . 1 . 2]" 2
492 1 49 ASN HB3 1 50 PHE H . . 4.850 4.375 4.339 4.415 . 0 0 "[ . 1 . 2]" 2
493 1 49 ASN QB 1 50 PHE H . . 4.330 3.961 3.941 3.981 . 0 0 "[ . 1 . 2]" 2
494 1 50 PHE H 1 50 PHE HB2 . . 3.610 2.499 2.404 2.575 . 0 0 "[ . 1 . 2]" 2
495 1 50 PHE H 1 50 PHE HB3 . . 3.610 3.669 3.643 3.686 0.076 14 0 "[ . 1 . 2]" 2
496 1 50 PHE H 1 50 PHE QB . . 3.280 2.459 2.372 2.528 . 0 0 "[ . 1 . 2]" 2
497 1 50 PHE HA 1 51 HIS H . . 2.770 2.313 2.173 2.429 . 0 0 "[ . 1 . 2]" 2
498 1 50 PHE HB2 1 51 HIS H . . 4.200 3.711 3.519 4.018 . 0 0 "[ . 1 . 2]" 2
499 1 50 PHE HB2 1 52 SER H . . 3.480 3.566 3.556 3.576 0.096 3 0 "[ . 1 . 2]" 2
500 1 50 PHE HB3 1 51 HIS H . . 4.200 2.549 2.355 2.922 . 0 0 "[ . 1 . 2]" 2
501 1 50 PHE HB3 1 52 SER H . . 3.480 2.574 2.359 2.815 . 0 0 "[ . 1 . 2]" 2
502 1 50 PHE QB 1 51 HIS H . . 3.790 2.505 2.323 2.856 . 0 0 "[ . 1 . 2]" 2
503 1 50 PHE QB 1 52 SER H . . 3.310 2.516 2.327 2.717 . 0 0 "[ . 1 . 2]" 2
504 1 50 PHE QB 1 55 SER QB . . 6.110 3.791 3.257 4.357 . 0 0 "[ . 1 . 2]" 2
505 1 50 PHE QB 1 56 CYS HA . . 6.000 3.299 2.795 3.909 . 0 0 "[ . 1 . 2]" 2
506 1 50 PHE QD 1 51 HIS H . . 7.620 3.481 3.143 3.877 . 0 0 "[ . 1 . 2]" 2
507 1 50 PHE QD 1 55 SER QB . . 8.500 2.932 2.350 3.486 . 0 0 "[ . 1 . 2]" 2
508 1 50 PHE QD 1 56 CYS HA . . 6.470 3.012 2.657 3.242 . 0 0 "[ . 1 . 2]" 2
509 1 50 PHE QD 1 56 CYS QB . . 8.500 3.408 2.952 3.716 . 0 0 "[ . 1 . 2]" 2
510 1 50 PHE QD 1 59 ALA MB . . 8.650 3.455 3.050 4.076 . 0 0 "[ . 1 . 2]" 2
511 1 50 PHE QE 1 59 ALA MB . . 6.730 2.221 2.106 2.432 . 0 0 "[ . 1 . 2]" 2
512 1 50 PHE HZ 1 59 ALA MB . . 4.300 2.729 2.337 3.517 . 0 0 "[ . 1 . 2]" 2
513 1 51 HIS H 1 51 HIS HB2 . . 3.610 2.546 2.354 2.658 . 0 0 "[ . 1 . 2]" 2
514 1 51 HIS H 1 51 HIS HB3 . . 3.610 3.582 3.445 3.661 0.051 20 0 "[ . 1 . 2]" 2
515 1 51 HIS H 1 51 HIS QB . . 3.270 2.493 2.324 2.586 . 0 0 "[ . 1 . 2]" 2
516 1 51 HIS H 1 51 HIS HD2 . . 4.260 2.924 2.292 3.966 . 0 0 "[ . 1 . 2]" 2
517 1 51 HIS H 1 52 SER H . . 3.240 2.291 2.130 2.431 . 0 0 "[ . 1 . 2]" 2
518 1 51 HIS HA 1 51 HIS HD2 . . 4.380 4.048 2.734 4.469 0.089 8 0 "[ . 1 . 2]" 2
519 1 51 HIS HA 1 52 SER H . . 3.640 3.446 3.297 3.538 . 0 0 "[ . 1 . 2]" 2
520 1 51 HIS HB2 1 52 SER H . . 4.070 3.230 2.935 3.637 . 0 0 "[ . 1 . 2]" 2
521 1 51 HIS HB3 1 52 SER H . . 4.070 4.148 4.122 4.166 0.096 3 0 "[ . 1 . 2]" 2
522 1 51 HIS QB 1 52 SER H . . 3.880 3.114 2.877 3.412 . 0 0 "[ . 1 . 2]" 2
523 1 52 SER H 1 53 ARG H . . 5.040 4.324 4.285 4.370 . 0 0 "[ . 1 . 2]" 2
524 1 52 SER H 1 55 SER QB . . 4.420 3.996 3.825 4.080 . 0 0 "[ . 1 . 2]" 2
525 1 52 SER HA 1 53 ARG H . . 2.620 2.361 2.206 2.490 . 0 0 "[ . 1 . 2]" 2
526 1 52 SER HA 1 53 ARG QB . . 5.760 4.171 4.031 4.304 . 0 0 "[ . 1 . 2]" 2
527 1 52 SER HB2 1 53 ARG H . . 3.480 2.448 2.330 2.606 . 0 0 "[ . 1 . 2]" 2
528 1 52 SER HB2 1 54 GLU H . . 4.630 2.551 2.308 2.981 . 0 0 "[ . 1 . 2]" 2
529 1 52 SER HB3 1 53 ARG H . . 3.480 3.546 3.457 3.572 0.092 18 0 "[ . 1 . 2]" 2
530 1 52 SER HB3 1 54 GLU H . . 4.630 4.298 4.043 4.706 0.076 11 0 "[ . 1 . 2]" 2
531 1 52 SER QB 1 53 ARG H . . 3.190 2.405 2.300 2.543 . 0 0 "[ . 1 . 2]" 2
532 1 52 SER QB 1 54 GLU H . . 3.940 2.533 2.295 2.950 . 0 0 "[ . 1 . 2]" 2
533 1 53 ARG H 1 53 ARG HB2 . . 2.770 2.521 2.201 2.636 . 0 0 "[ . 1 . 2]" 2
534 1 53 ARG H 1 53 ARG HB3 . . 2.770 2.451 2.340 2.808 0.038 18 0 "[ . 1 . 2]" 2
535 1 53 ARG H 1 53 ARG HG2 . . 4.880 4.518 4.446 4.560 . 0 0 "[ . 1 . 2]" 2
536 1 53 ARG H 1 53 ARG HG3 . . 5.500 4.366 4.166 4.425 . 0 0 "[ . 1 . 2]" 2
537 1 53 ARG H 1 53 ARG HD2 . . 5.500 4.862 4.671 5.598 0.098 18 0 "[ . 1 . 2]" 2
538 1 53 ARG H 1 53 ARG HD3 . . 5.500 4.930 4.281 5.143 . 0 0 "[ . 1 . 2]" 2
539 1 53 ARG H 1 54 GLU H . . 3.420 2.574 2.435 2.976 . 0 0 "[ . 1 . 2]" 2
540 1 53 ARG HA 1 53 ARG QB . . 2.680 2.356 2.306 2.406 . 0 0 "[ . 1 . 2]" 2
541 1 53 ARG HA 1 53 ARG HG2 . . 3.640 3.608 2.832 3.734 0.094 6 0 "[ . 1 . 2]" 2
542 1 53 ARG HA 1 53 ARG HG3 . . 3.480 3.038 1.973 3.408 . 0 0 "[ . 1 . 2]" 2
543 1 53 ARG HA 1 53 ARG HD2 . . 4.570 2.466 2.118 4.292 . 0 0 "[ . 1 . 2]" 2
544 1 53 ARG HA 1 53 ARG HD3 . . 3.640 3.216 2.906 3.737 0.097 2 0 "[ . 1 . 2]" 2
545 1 53 ARG HA 1 56 CYS H . . 4.040 3.851 3.488 3.979 . 0 0 "[ . 1 . 2]" 2
546 1 53 ARG HA 1 56 CYS HB2 . . 3.550 3.591 3.157 3.632 0.082 6 0 "[ . 1 . 2]" 2
547 1 53 ARG HA 1 56 CYS HB3 . . 3.550 3.012 2.695 3.112 . 0 0 "[ . 1 . 2]" 2
548 1 53 ARG HB2 1 53 ARG HD2 . . 4.260 3.177 3.052 3.467 . 0 0 "[ . 1 . 2]" 2
549 1 53 ARG HB2 1 53 ARG HD3 . . 4.230 2.627 2.033 2.871 . 0 0 "[ . 1 . 2]" 2
550 1 53 ARG HB2 1 54 GLU H . . 3.980 3.749 3.556 3.871 . 0 0 "[ . 1 . 2]" 2
551 1 53 ARG HB3 1 53 ARG HD2 . . 4.260 3.809 3.734 3.854 . 0 0 "[ . 1 . 2]" 2
552 1 53 ARG HB3 1 53 ARG HD3 . . 4.230 3.703 2.841 3.909 . 0 0 "[ . 1 . 2]" 2
553 1 53 ARG HB3 1 54 GLU H . . 3.980 2.438 2.303 2.676 . 0 0 "[ . 1 . 2]" 2
554 1 53 ARG QB 1 53 ARG HD2 . . 3.640 3.025 2.932 3.228 . 0 0 "[ . 1 . 2]" 2
555 1 53 ARG QB 1 53 ARG HD3 . . 3.620 2.575 1.995 2.802 . 0 0 "[ . 1 . 2]" 2
556 1 53 ARG QB 1 54 GLU H . . 3.440 2.407 2.281 2.615 . 0 0 "[ . 1 . 2]" 2
557 1 53 ARG HG2 1 54 GLU H . . 5.500 4.395 3.986 4.806 . 0 0 "[ . 1 . 2]" 2
558 1 54 GLU H 1 54 GLU HB2 . . 2.990 2.479 2.214 2.602 . 0 0 "[ . 1 . 2]" 2
559 1 54 GLU H 1 54 GLU HB3 . . 2.990 2.051 1.902 2.804 . 0 0 "[ . 1 . 2]" 2
560 1 54 GLU H 1 54 GLU QB . . 2.790 1.924 1.839 2.135 . 0 0 "[ . 1 . 2]" 2
561 1 54 GLU H 1 54 GLU HG2 . . 4.420 4.369 4.286 4.488 0.068 4 0 "[ . 1 . 2]" 2
562 1 54 GLU H 1 54 GLU HG3 . . 5.500 4.400 4.142 4.544 . 0 0 "[ . 1 . 2]" 2
563 1 54 GLU H 1 55 SER H . . 3.240 3.141 2.859 3.261 0.021 17 0 "[ . 1 . 2]" 2
564 1 54 GLU HA 1 54 GLU QB . . 2.700 2.264 2.204 2.447 . 0 0 "[ . 1 . 2]" 2
565 1 54 GLU HA 1 54 GLU HG2 . . 3.420 3.019 2.797 3.509 0.089 11 0 "[ . 1 . 2]" 2
566 1 54 GLU HA 1 54 GLU HG3 . . 4.010 3.575 2.235 3.828 . 0 0 "[ . 1 . 2]" 2
567 1 54 GLU HA 1 57 GLU H . . 3.790 3.821 3.418 3.869 0.079 17 0 "[ . 1 . 2]" 2
568 1 54 GLU HB2 1 55 SER H . . 3.520 3.610 3.600 3.617 0.097 5 0 "[ . 1 . 2]" 2
569 1 54 GLU HB3 1 55 SER H . . 3.520 2.368 2.264 2.433 . 0 0 "[ . 1 . 2]" 2
570 1 54 GLU QB 1 55 SER H . . 3.330 2.338 2.242 2.397 . 0 0 "[ . 1 . 2]" 2
571 1 54 GLU HG2 1 55 SER H . . 5.500 3.156 2.689 4.743 . 0 0 "[ . 1 . 2]" 2
572 1 54 GLU HG3 1 55 SER H . . 5.500 3.925 3.818 4.740 . 0 0 "[ . 1 . 2]" 2
573 1 55 SER H 1 56 CYS H . . 3.110 3.032 2.890 3.111 0.001 1 0 "[ . 1 . 2]" 2
574 1 55 SER HA 1 58 ASP H . . 3.390 3.454 3.410 3.477 0.087 14 0 "[ . 1 . 2]" 2
575 1 55 SER HA 1 58 ASP QB . . 3.830 2.570 2.146 3.063 . 0 0 "[ . 1 . 2]" 2
576 1 56 CYS H 1 56 CYS HB2 . . 3.270 2.269 2.171 2.408 . 0 0 "[ . 1 . 2]" 2
577 1 56 CYS H 1 56 CYS HB3 . . 3.270 2.516 2.305 2.710 . 0 0 "[ . 1 . 2]" 2
578 1 56 CYS H 1 56 CYS QB . . 2.980 2.108 2.074 2.180 . 0 0 "[ . 1 . 2]" 2
579 1 56 CYS H 1 57 GLU H . . 3.110 2.601 2.340 2.788 . 0 0 "[ . 1 . 2]" 2
580 1 56 CYS HA 1 56 CYS QB . . 2.700 2.502 2.442 2.537 . 0 0 "[ . 1 . 2]" 2
581 1 56 CYS HA 1 59 ALA H . . 3.050 3.143 3.131 3.155 0.105 14 0 "[ . 1 . 2]" 2
582 1 56 CYS HA 1 59 ALA MB . . 4.260 2.618 2.530 2.778 . 0 0 "[ . 1 . 2]" 2
583 1 56 CYS HB2 1 57 GLU H . . 3.480 3.564 3.553 3.575 0.095 3 0 "[ . 1 . 2]" 2
584 1 56 CYS HB3 1 57 GLU H . . 3.480 2.307 2.213 2.402 . 0 0 "[ . 1 . 2]" 2
585 1 56 CYS QB 1 57 GLU H . . 3.260 2.279 2.192 2.367 . 0 0 "[ . 1 . 2]" 2
586 1 57 GLU H 1 57 GLU QB . . 3.570 2.432 2.355 2.612 . 0 0 "[ . 1 . 2]" 2
587 1 57 GLU H 1 57 GLU HG2 . . 4.110 3.645 2.494 4.143 0.033 1 0 "[ . 1 . 2]" 2
588 1 57 GLU H 1 57 GLU HG3 . . 4.110 2.786 2.491 3.362 . 0 0 "[ . 1 . 2]" 2
589 1 57 GLU H 1 57 GLU QG . . 3.660 2.677 2.405 3.203 . 0 0 "[ . 1 . 2]" 2
590 1 57 GLU H 1 58 ASP H . . 2.990 2.603 2.453 2.783 . 0 0 "[ . 1 . 2]" 2
591 1 57 GLU HA 1 57 GLU HG2 . . 3.390 2.238 2.073 2.720 . 0 0 "[ . 1 . 2]" 2
592 1 57 GLU HA 1 57 GLU HG3 . . 3.390 2.997 2.400 3.486 0.096 12 0 "[ . 1 . 2]" 2
593 1 57 GLU HA 1 57 GLU QG . . 3.210 2.170 2.034 2.580 . 0 0 "[ . 1 . 2]" 2
594 1 57 GLU HA 1 60 CYS H . . 3.670 3.295 2.848 3.752 0.082 2 0 "[ . 1 . 2]" 2
595 1 57 GLU HB2 1 58 ASP H . . 3.950 3.183 2.764 3.451 . 0 0 "[ . 1 . 2]" 2
596 1 57 GLU HB3 1 58 ASP H . . 3.950 3.878 3.638 4.027 0.077 5 0 "[ . 1 . 2]" 2
597 1 57 GLU QB 1 58 ASP H . . 3.550 3.041 2.688 3.240 . 0 0 "[ . 1 . 2]" 2
598 1 58 ASP H 1 58 ASP QB . . 3.590 2.304 2.172 2.437 . 0 0 "[ . 1 . 2]" 2
599 1 58 ASP H 1 59 ALA H . . 2.800 2.667 2.441 2.814 0.014 17 0 "[ . 1 . 2]" 2
600 1 59 ALA H 1 59 ALA MB . . 3.640 2.228 2.204 2.278 . 0 0 "[ . 1 . 2]" 2
601 1 59 ALA H 1 60 CYS H . . 2.830 2.745 2.551 2.899 0.069 5 0 "[ . 1 . 2]" 2
602 1 59 ALA MB 1 60 CYS H . . 4.200 2.423 2.247 2.689 . 0 0 "[ . 1 . 2]" 2
603 1 60 CYS H 1 60 CYS HB2 . . 2.990 2.619 2.341 2.743 . 0 0 "[ . 1 . 2]" 2
604 1 60 CYS H 1 60 CYS HB3 . . 3.670 3.725 3.582 3.747 0.077 19 0 "[ . 1 . 2]" 2
605 1 60 CYS H 1 61 PRO HD2 . . 5.500 4.517 4.238 4.912 . 0 0 "[ . 1 . 2]" 2
606 1 60 CYS HA 1 60 CYS HB3 . . 2.960 2.543 2.490 2.627 . 0 0 "[ . 1 . 2]" 2
607 1 60 CYS HA 1 61 PRO HD2 . . 2.930 2.180 2.055 2.683 . 0 0 "[ . 1 . 2]" 2
608 1 60 CYS HA 1 61 PRO HD3 . . 2.620 2.533 2.192 2.693 0.073 6 0 "[ . 1 . 2]" 2
609 1 61 PRO HA 1 62 VAL H . . 2.650 2.534 2.076 2.737 0.087 19 0 "[ . 1 . 2]" 2
610 1 62 VAL H 1 62 VAL HB . . 3.080 2.756 2.157 3.138 0.058 13 0 "[ . 1 . 2]" 2
611 1 62 VAL H 1 62 VAL MG2 . . 4.390 2.526 2.079 3.032 . 0 0 "[ . 1 . 2]" 2
612 1 62 VAL HA 1 63 VAL H . . 2.770 2.690 2.148 2.870 0.100 8 0 "[ . 1 . 2]" 2
613 1 62 VAL HB 1 63 VAL H . . 3.050 2.909 2.378 3.150 0.100 1 0 "[ . 1 . 2]" 2
614 1 62 VAL MG1 1 63 VAL H . . 5.040 1.774 1.664 1.973 . 0 0 "[ . 1 . 2]" 2
615 1 62 VAL MG2 1 63 VAL H . . 6.400 3.929 3.667 4.135 . 0 0 "[ . 1 . 2]" 2
616 1 63 VAL H 1 63 VAL HB . . 3.270 2.984 2.364 3.241 . 0 0 "[ . 1 . 2]" 2
617 1 63 VAL HA 1 63 VAL HB . . 2.960 2.990 2.932 3.031 0.071 1 0 "[ . 1 . 2]" 2
618 1 63 VAL HA 1 64 ASP H . . 2.460 2.169 1.902 2.543 0.083 9 0 "[ . 1 . 2]" 2
619 1 63 VAL HB 1 64 ASP H . . 3.640 3.689 3.069 3.740 0.100 14 0 "[ . 1 . 2]" 2
620 1 63 VAL MG1 1 64 ASP H . . 5.350 2.391 1.736 2.668 . 0 0 "[ . 1 . 2]" 2
621 1 63 VAL MG2 1 64 ASP H . . 5.320 4.159 3.898 4.344 . 0 0 "[ . 1 . 2]" 2
622 1 64 ASP H 1 64 ASP HB2 . . 3.360 2.738 2.160 3.406 0.046 5 0 "[ . 1 . 2]" 2
623 1 64 ASP H 1 64 ASP HB3 . . 3.360 2.603 2.291 2.841 . 0 0 "[ . 1 . 2]" 2
624 1 64 ASP HA 1 65 HIS H . . 2.620 2.189 1.996 2.547 . 0 0 "[ . 1 . 2]" 2
625 1 65 HIS H 1 65 HIS HA . . 2.770 2.844 2.776 2.869 0.099 7 0 "[ . 1 . 2]" 2
626 1 65 HIS H 1 65 HIS HB2 . . 3.480 2.537 2.325 2.785 . 0 0 "[ . 1 . 2]" 2
627 1 65 HIS H 1 65 HIS HB3 . . 3.480 3.542 3.486 3.573 0.093 18 0 "[ . 1 . 2]" 2
628 1 65 HIS H 1 65 HIS QB . . 3.160 2.481 2.296 2.689 . 0 0 "[ . 1 . 2]" 2
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