NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
376737 |
1fu9   |
4939 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1fu9
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 497
_Distance_constraint_stats_list.Viol_count 844
_Distance_constraint_stats_list.Viol_total 432.016
_Distance_constraint_stats_list.Viol_max 0.150
_Distance_constraint_stats_list.Viol_rms 0.0112
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0022
_Distance_constraint_stats_list.Viol_average_violations_only 0.0256
_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 2 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 ALA 0.036 0.015 14 0 "[ . 1 . 2]"
1 4 ALA 0.036 0.015 14 0 "[ . 1 . 2]"
1 5 GLU 0.832 0.150 8 0 "[ . 1 . 2]"
1 6 VAL 0.435 0.059 13 0 "[ . 1 . 2]"
1 7 MET 1.290 0.068 11 0 "[ . 1 . 2]"
1 8 LYS 1.509 0.080 7 0 "[ . 1 . 2]"
1 9 LYS 1.439 0.080 7 0 "[ . 1 . 2]"
1 10 TYR 0.810 0.045 16 0 "[ . 1 . 2]"
1 11 CYS 0.248 0.011 19 0 "[ . 1 . 2]"
1 12 SER 0.039 0.011 8 0 "[ . 1 . 2]"
1 13 THR 0.133 0.023 4 0 "[ . 1 . 2]"
1 14 CYS 2.094 0.100 11 0 "[ . 1 . 2]"
1 15 ASP 0.385 0.083 9 0 "[ . 1 . 2]"
1 16 ILE 0.461 0.065 11 0 "[ . 1 . 2]"
1 17 SER 0.941 0.065 11 0 "[ . 1 . 2]"
1 18 PHE 0.451 0.023 15 0 "[ . 1 . 2]"
1 19 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 TYR 0.534 0.029 18 0 "[ . 1 . 2]"
1 21 VAL 0.254 0.022 3 0 "[ . 1 . 2]"
1 22 LYS 0.788 0.029 18 0 "[ . 1 . 2]"
1 23 THR 0.855 0.059 12 0 "[ . 1 . 2]"
1 24 TYR 1.547 0.042 5 0 "[ . 1 . 2]"
1 25 LEU 3.187 0.072 17 0 "[ . 1 . 2]"
1 26 ALA 4.381 0.093 12 0 "[ . 1 . 2]"
1 27 HIS 2.834 0.068 17 0 "[ . 1 . 2]"
1 28 LYS 1.101 0.037 12 0 "[ . 1 . 2]"
1 29 GLN 0.067 0.035 5 0 "[ . 1 . 2]"
1 30 PHE 3.999 0.145 12 0 "[ . 1 . 2]"
1 31 TYR 4.456 0.145 12 0 "[ . 1 . 2]"
1 32 CYS 0.874 0.057 9 0 "[ . 1 . 2]"
1 33 LYS 0.357 0.117 4 0 "[ . 1 . 2]"
1 34 ASN 0.402 0.043 4 0 "[ . 1 . 2]"
1 35 LYS 0.073 0.024 6 0 "[ . 1 . 2]"
1 36 PRO 0.013 0.013 13 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 2 SER HA 1 3 ALA H 0.000 . 3.140 2.505 2.178 2.719 . 0 0 "[ . 1 . 2]" 1
2 1 3 ALA H 1 4 ALA H 0.000 . 3.420 2.943 2.001 3.435 0.015 14 0 "[ . 1 . 2]" 1
3 1 3 ALA HA 1 4 ALA H 0.000 . 3.020 2.594 2.214 2.928 . 0 0 "[ . 1 . 2]" 1
4 1 5 GLU H 1 5 GLU HA 0.000 . 2.550 2.379 2.273 2.700 0.150 8 0 "[ . 1 . 2]" 1
5 1 5 GLU H 1 5 GLU HB2 0.000 . 3.670 2.951 2.121 3.590 . 0 0 "[ . 1 . 2]" 1
6 1 5 GLU H 1 5 GLU QB 0.000 . 3.390 2.775 2.084 2.966 . 0 0 "[ . 1 . 2]" 1
7 1 5 GLU H 1 5 GLU HB3 0.000 . 3.670 3.555 2.572 3.694 0.024 15 0 "[ . 1 . 2]" 1
8 1 5 GLU H 1 5 GLU HG2 0.000 . 4.970 4.285 2.045 5.005 0.035 15 0 "[ . 1 . 2]" 1
9 1 5 GLU H 1 5 GLU QG 0.000 . 4.830 3.779 2.031 4.380 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLU H 1 5 GLU HG3 0.000 . 4.970 4.346 2.275 4.970 0.000 5 0 "[ . 1 . 2]" 1
11 1 5 GLU HA 1 6 VAL H 0.000 . 2.550 2.277 2.142 2.552 0.002 17 0 "[ . 1 . 2]" 1
12 1 5 GLU QG 1 6 VAL H 0.000 . 6.380 3.349 1.900 4.395 . 0 0 "[ . 1 . 2]" 1
13 1 6 VAL H 1 6 VAL HB 0.000 . 2.650 2.635 2.571 2.676 0.026 8 0 "[ . 1 . 2]" 1
14 1 6 VAL H 1 6 VAL QG 0.000 . 4.250 2.199 1.954 2.740 . 0 0 "[ . 1 . 2]" 1
15 1 6 VAL HA 1 7 MET H 0.000 . 2.520 2.322 2.269 2.371 . 0 0 "[ . 1 . 2]" 1
16 1 6 VAL HA 1 8 LYS H 0.000 . 4.880 4.697 4.301 4.894 0.014 6 0 "[ . 1 . 2]" 1
17 1 6 VAL HB 1 7 MET H 0.000 . 3.730 3.690 3.521 3.789 0.059 13 0 "[ . 1 . 2]" 1
18 1 6 VAL QG 1 7 MET H 0.000 . 5.630 1.954 1.865 2.119 . 0 0 "[ . 1 . 2]" 1
19 1 6 VAL QG 1 7 MET HA 0.000 . 6.170 3.398 2.988 3.748 . 0 0 "[ . 1 . 2]" 1
20 1 6 VAL QG 1 8 LYS H 0.000 . 8.090 3.178 2.173 4.569 . 0 0 "[ . 1 . 2]" 1
21 1 6 VAL MG1 1 7 MET H 0.000 . 6.530 2.378 1.904 3.569 . 0 0 "[ . 1 . 2]" 1
22 1 6 VAL MG1 1 7 MET HA 0.000 . 6.530 3.672 3.208 4.712 . 0 0 "[ . 1 . 2]" 1
23 1 6 VAL MG2 1 7 MET H 0.000 . 6.530 3.408 1.871 3.961 . 0 0 "[ . 1 . 2]" 1
24 1 6 VAL MG2 1 7 MET HA 0.000 . 6.530 4.979 3.147 5.715 . 0 0 "[ . 1 . 2]" 1
25 1 7 MET H 1 7 MET HG2 0.000 . 4.570 3.550 2.457 4.564 . 0 0 "[ . 1 . 2]" 1
26 1 7 MET H 1 7 MET QG 0.000 . 4.290 2.990 1.982 4.043 . 0 0 "[ . 1 . 2]" 1
27 1 7 MET H 1 7 MET HG3 0.000 . 4.570 3.527 1.995 4.572 0.002 19 0 "[ . 1 . 2]" 1
28 1 7 MET H 1 8 LYS H 0.000 . 3.360 3.114 2.745 3.396 0.036 10 0 "[ . 1 . 2]" 1
29 1 7 MET HA 1 8 LYS H 0.000 . 2.430 2.442 2.263 2.498 0.068 11 0 "[ . 1 . 2]" 1
30 1 7 MET HA 1 9 LYS H 0.000 . 3.610 3.626 3.593 3.645 0.035 8 0 "[ . 1 . 2]" 1
31 1 7 MET QG 1 8 LYS H 0.000 . 6.380 4.391 4.002 4.892 . 0 0 "[ . 1 . 2]" 1
32 1 8 LYS H 1 8 LYS HG2 0.000 . 4.290 3.167 1.993 4.291 0.001 15 0 "[ . 1 . 2]" 1
33 1 8 LYS H 1 8 LYS QG 0.000 . 3.740 2.738 1.958 3.616 . 0 0 "[ . 1 . 2]" 1
34 1 8 LYS H 1 8 LYS HG3 0.000 . 4.290 3.320 2.362 4.290 . 0 0 "[ . 1 . 2]" 1
35 1 8 LYS H 1 9 LYS H 0.000 . 3.670 3.083 2.611 3.260 . 0 0 "[ . 1 . 2]" 1
36 1 8 LYS HA 1 9 LYS H 0.000 . 2.650 2.689 2.671 2.730 0.080 7 0 "[ . 1 . 2]" 1
37 1 8 LYS HA 1 24 TYR QD 0.000 . 7.640 5.002 3.514 6.578 . 0 0 "[ . 1 . 2]" 1
38 1 8 LYS HA 1 24 TYR QE 0.000 . 7.630 4.631 2.512 6.672 . 0 0 "[ . 1 . 2]" 1
39 1 8 LYS QB 1 9 LYS H 0.000 . 4.770 3.912 3.863 4.037 . 0 0 "[ . 1 . 2]" 1
40 1 8 LYS QB 1 24 TYR QD 0.000 . 9.020 4.495 2.563 7.118 . 0 0 "[ . 1 . 2]" 1
41 1 8 LYS QB 1 24 TYR QE 0.000 . 9.010 4.560 2.894 6.901 . 0 0 "[ . 1 . 2]" 1
42 1 9 LYS H 1 9 LYS HD2 0.000 . 4.260 3.918 3.012 4.279 0.019 7 0 "[ . 1 . 2]" 1
43 1 9 LYS H 1 9 LYS QD 0.000 . 3.840 3.050 1.991 3.820 . 0 0 "[ . 1 . 2]" 1
44 1 9 LYS H 1 9 LYS HD3 0.000 . 4.260 3.350 2.001 4.297 0.037 7 0 "[ . 1 . 2]" 1
45 1 9 LYS H 1 9 LYS QG 0.000 . 4.760 2.757 2.029 3.874 . 0 0 "[ . 1 . 2]" 1
46 1 9 LYS H 1 10 TYR H 0.000 . 3.020 2.781 2.346 3.050 0.030 17 0 "[ . 1 . 2]" 1
47 1 9 LYS HA 1 10 TYR H 0.000 . 2.740 2.634 2.394 2.776 0.036 8 0 "[ . 1 . 2]" 1
48 1 9 LYS HA 1 18 PHE HB2 0.000 . 4.260 3.934 3.289 4.267 0.007 14 0 "[ . 1 . 2]" 1
49 1 9 LYS HA 1 18 PHE QD 0.000 . 7.620 3.617 2.919 4.452 . 0 0 "[ . 1 . 2]" 1
50 1 9 LYS HA 1 24 TYR QD 0.000 . 7.520 3.084 2.320 3.692 . 0 0 "[ . 1 . 2]" 1
51 1 9 LYS HA 1 24 TYR QE 0.000 . 7.630 4.021 3.342 4.518 . 0 0 "[ . 1 . 2]" 1
52 1 9 LYS QB 1 18 PHE H 0.000 . 6.880 2.781 2.512 3.037 . 0 0 "[ . 1 . 2]" 1
53 1 9 LYS QB 1 18 PHE HA 0.000 . 6.880 4.580 4.100 4.973 . 0 0 "[ . 1 . 2]" 1
54 1 9 LYS QD 1 18 PHE H 0.000 . 6.380 5.067 2.935 5.898 . 0 0 "[ . 1 . 2]" 1
55 1 9 LYS QD 1 20 TYR HA 0.000 . 6.380 5.773 4.584 6.382 0.002 11 0 "[ . 1 . 2]" 1
56 1 9 LYS QD 1 24 TYR QB 0.000 . 5.670 4.426 2.215 5.646 . 0 0 "[ . 1 . 2]" 1
57 1 9 LYS QD 1 24 TYR QD 0.000 . 8.520 5.173 2.370 6.540 . 0 0 "[ . 1 . 2]" 1
58 1 9 LYS QE 1 21 VAL MG1 0.000 . 7.400 4.654 1.967 6.360 . 0 0 "[ . 1 . 2]" 1
59 1 9 LYS QE 1 21 VAL QG 0.000 . 6.370 3.104 1.741 4.687 . 0 0 "[ . 1 . 2]" 1
60 1 9 LYS QE 1 21 VAL MG2 0.000 . 7.400 3.177 1.834 4.825 . 0 0 "[ . 1 . 2]" 1
61 1 10 TYR H 1 10 TYR HB2 0.000 . 3.610 3.409 3.092 3.563 . 0 0 "[ . 1 . 2]" 1
62 1 10 TYR H 1 10 TYR QB 0.000 . 3.430 2.838 2.450 2.885 . 0 0 "[ . 1 . 2]" 1
63 1 10 TYR H 1 10 TYR HB3 0.000 . 3.610 3.047 2.569 3.293 . 0 0 "[ . 1 . 2]" 1
64 1 10 TYR H 1 11 CYS H 0.000 . 4.450 3.830 3.648 4.291 . 0 0 "[ . 1 . 2]" 1
65 1 10 TYR H 1 17 SER HA 0.000 . 4.450 4.471 4.452 4.495 0.045 16 0 "[ . 1 . 2]" 1
66 1 10 TYR H 1 24 TYR QE 0.000 . 7.630 3.056 2.421 3.925 . 0 0 "[ . 1 . 2]" 1
67 1 10 TYR HA 1 11 CYS H 0.000 . 2.490 2.156 2.139 2.191 . 0 0 "[ . 1 . 2]" 1
68 1 10 TYR HA 1 11 CYS QB 0.000 . 5.520 4.113 4.070 4.155 . 0 0 "[ . 1 . 2]" 1
69 1 10 TYR HA 1 17 SER H 0.000 . 4.850 4.595 4.531 4.675 . 0 0 "[ . 1 . 2]" 1
70 1 10 TYR HA 1 17 SER HA 0.000 . 3.580 1.967 1.897 2.055 . 0 0 "[ . 1 . 2]" 1
71 1 10 TYR HA 1 17 SER HB2 0.000 . 6.000 3.810 2.945 4.533 . 0 0 "[ . 1 . 2]" 1
72 1 10 TYR HA 1 17 SER HB3 0.000 . 6.000 4.127 2.669 4.750 . 0 0 "[ . 1 . 2]" 1
73 1 10 TYR HA 1 18 PHE H 0.000 . 3.480 3.486 3.427 3.503 0.023 15 0 "[ . 1 . 2]" 1
74 1 10 TYR HA 1 18 PHE QD 0.000 . 6.780 4.098 2.800 5.292 . 0 0 "[ . 1 . 2]" 1
75 1 10 TYR HA 1 18 PHE QE 0.000 . 7.620 4.528 3.412 5.668 . 0 0 "[ . 1 . 2]" 1
76 1 10 TYR QB 1 17 SER HA 0.000 . 5.440 3.355 2.829 3.883 . 0 0 "[ . 1 . 2]" 1
77 1 10 TYR HB2 1 17 SER HA 0.000 . 6.000 3.450 2.874 4.088 . 0 0 "[ . 1 . 2]" 1
78 1 10 TYR HB3 1 17 SER HA 0.000 . 6.000 4.621 4.235 4.933 . 0 0 "[ . 1 . 2]" 1
79 1 10 TYR QD 1 11 CYS H 0.000 . 6.930 3.469 2.560 3.963 . 0 0 "[ . 1 . 2]" 1
80 1 10 TYR QD 1 12 SER H 0.000 . 7.640 3.487 2.636 4.507 . 0 0 "[ . 1 . 2]" 1
81 1 10 TYR QD 1 12 SER HB2 0.000 . 8.140 4.610 3.092 5.941 . 0 0 "[ . 1 . 2]" 1
82 1 10 TYR QD 1 12 SER QB 0.000 . 7.650 3.835 2.938 4.732 . 0 0 "[ . 1 . 2]" 1
83 1 10 TYR QD 1 12 SER HB3 0.000 . 8.140 4.455 2.978 5.424 . 0 0 "[ . 1 . 2]" 1
84 1 10 TYR QD 1 15 ASP H 0.000 . 7.640 5.236 4.290 5.916 . 0 0 "[ . 1 . 2]" 1
85 1 10 TYR QD 1 15 ASP QB 0.000 . 8.590 6.307 5.849 6.805 . 0 0 "[ . 1 . 2]" 1
86 1 10 TYR QD 1 16 ILE HA 0.000 . 7.640 4.526 3.863 5.576 . 0 0 "[ . 1 . 2]" 1
87 1 10 TYR QD 1 17 SER H 0.000 . 7.640 4.186 3.372 5.199 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR QD 1 17 SER HA 0.000 . 5.690 3.032 2.400 3.929 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR QD 1 17 SER HB2 0.000 . 7.920 2.500 1.957 3.948 . 0 0 "[ . 1 . 2]" 1
90 1 10 TYR QD 1 17 SER QB 0.000 . 7.480 2.053 1.876 2.800 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR QD 1 17 SER HB3 0.000 . 7.920 2.997 1.963 4.129 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR QD 1 18 PHE H 0.000 . 7.640 4.678 4.327 5.198 . 0 0 "[ . 1 . 2]" 1
93 1 10 TYR QE 1 11 CYS H 0.000 . 7.630 4.776 4.431 5.052 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR QE 1 12 SER H 0.000 . 7.630 4.383 3.729 5.237 . 0 0 "[ . 1 . 2]" 1
95 1 10 TYR QE 1 12 SER HB2 0.000 . 8.130 4.387 3.273 5.719 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR QE 1 12 SER QB 0.000 . 7.260 3.703 2.569 5.063 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR QE 1 12 SER HB3 0.000 . 8.130 4.220 2.673 6.403 . 0 0 "[ . 1 . 2]" 1
98 1 10 TYR QE 1 15 ASP H 0.000 . 7.630 4.455 3.605 5.318 . 0 0 "[ . 1 . 2]" 1
99 1 10 TYR QE 1 15 ASP HB2 0.000 . 8.130 5.468 4.691 6.253 . 0 0 "[ . 1 . 2]" 1
100 1 10 TYR QE 1 15 ASP HB3 0.000 . 8.130 5.452 4.633 6.364 . 0 0 "[ . 1 . 2]" 1
101 1 10 TYR QE 1 16 ILE HA 0.000 . 7.630 3.761 2.789 5.039 . 0 0 "[ . 1 . 2]" 1
102 1 10 TYR QE 1 17 SER H 0.000 . 7.630 4.491 3.739 5.380 . 0 0 "[ . 1 . 2]" 1
103 1 10 TYR QE 1 17 SER HA 0.000 . 7.630 4.685 4.207 5.174 . 0 0 "[ . 1 . 2]" 1
104 1 10 TYR QE 1 17 SER HB2 0.000 . 8.130 3.728 2.760 5.314 . 0 0 "[ . 1 . 2]" 1
105 1 10 TYR QE 1 17 SER HB3 0.000 . 8.130 4.247 2.508 4.963 . 0 0 "[ . 1 . 2]" 1
106 1 11 CYS H 1 11 CYS HB2 0.000 . 3.580 2.502 2.390 2.602 . 0 0 "[ . 1 . 2]" 1
107 1 11 CYS H 1 11 CYS QB 0.000 . 3.340 2.303 2.267 2.327 . 0 0 "[ . 1 . 2]" 1
108 1 11 CYS H 1 11 CYS HB3 0.000 . 3.580 2.700 2.593 2.819 . 0 0 "[ . 1 . 2]" 1
109 1 11 CYS H 1 14 CYS HB2 0.000 . 4.760 4.509 4.368 4.708 . 0 0 "[ . 1 . 2]" 1
110 1 11 CYS H 1 16 ILE H 0.000 . 3.420 3.325 3.034 3.431 0.011 11 0 "[ . 1 . 2]" 1
111 1 11 CYS H 1 16 ILE HB 0.000 . 5.500 4.028 3.864 4.234 . 0 0 "[ . 1 . 2]" 1
112 1 11 CYS H 1 16 ILE QG 0.000 . 6.380 5.108 4.850 5.827 . 0 0 "[ . 1 . 2]" 1
113 1 11 CYS H 1 16 ILE MG 0.000 . 6.530 4.884 4.754 5.030 . 0 0 "[ . 1 . 2]" 1
114 1 11 CYS H 1 17 SER HA 0.000 . 3.330 3.220 3.029 3.341 0.011 19 0 "[ . 1 . 2]" 1
115 1 11 CYS H 1 18 PHE QD 0.000 . 7.620 4.339 3.449 5.220 . 0 0 "[ . 1 . 2]" 1
116 1 11 CYS H 1 18 PHE QE 0.000 . 6.780 3.578 2.348 4.814 . 0 0 "[ . 1 . 2]" 1
117 1 11 CYS HA 1 12 SER H 0.000 . 2.460 2.197 2.144 2.253 . 0 0 "[ . 1 . 2]" 1
118 1 11 CYS HA 1 13 THR H 0.000 . 3.670 3.653 3.447 3.675 0.005 9 0 "[ . 1 . 2]" 1
119 1 11 CYS HA 1 24 TYR QD 0.000 . 7.640 4.884 4.351 5.498 . 0 0 "[ . 1 . 2]" 1
120 1 11 CYS HA 1 24 TYR QE 0.000 . 5.710 2.590 2.078 3.379 . 0 0 "[ . 1 . 2]" 1
121 1 11 CYS QB 1 12 SER H 0.000 . 4.350 3.951 3.872 4.010 . 0 0 "[ . 1 . 2]" 1
122 1 11 CYS QB 1 14 CYS H 0.000 . 4.990 2.891 2.798 3.021 . 0 0 "[ . 1 . 2]" 1
123 1 11 CYS QB 1 14 CYS HB3 0.000 . 5.120 3.509 3.406 3.658 . 0 0 "[ . 1 . 2]" 1
124 1 11 CYS QB 1 15 ASP H 0.000 . 5.270 3.344 2.973 3.742 . 0 0 "[ . 1 . 2]" 1
125 1 11 CYS QB 1 16 ILE H 0.000 . 5.950 3.051 2.767 3.381 . 0 0 "[ . 1 . 2]" 1
126 1 11 CYS QB 1 16 ILE HB 0.000 . 6.140 3.617 3.429 3.806 . 0 0 "[ . 1 . 2]" 1
127 1 11 CYS QB 1 16 ILE QG 0.000 . 6.620 3.968 3.631 4.920 . 0 0 "[ . 1 . 2]" 1
128 1 11 CYS QB 1 16 ILE MG 0.000 . 6.750 4.818 4.657 4.985 . 0 0 "[ . 1 . 2]" 1
129 1 11 CYS QB 1 18 PHE HZ 0.000 . 4.480 3.876 3.253 4.203 . 0 0 "[ . 1 . 2]" 1
130 1 11 CYS QB 1 24 TYR QD 0.000 . 7.150 3.566 3.337 4.142 . 0 0 "[ . 1 . 2]" 1
131 1 11 CYS QB 1 24 TYR QE 0.000 . 6.820 2.155 1.975 2.668 . 0 0 "[ . 1 . 2]" 1
132 1 11 CYS QB 1 27 HIS HD2 0.000 . 4.420 3.662 3.443 3.801 . 0 0 "[ . 1 . 2]" 1
133 1 11 CYS HB2 1 12 SER H 0.000 . 4.610 4.569 4.491 4.621 0.011 8 0 "[ . 1 . 2]" 1
134 1 11 CYS HB2 1 14 CYS H 0.000 . 5.570 4.302 4.181 4.434 . 0 0 "[ . 1 . 2]" 1
135 1 11 CYS HB2 1 14 CYS HB3 0.000 . 5.750 5.008 4.931 5.124 . 0 0 "[ . 1 . 2]" 1
136 1 11 CYS HB2 1 16 ILE QG 0.000 . 6.880 5.398 4.912 6.188 . 0 0 "[ . 1 . 2]" 1
137 1 11 CYS HB2 1 16 ILE MG 0.000 . 6.870 5.713 5.415 6.060 . 0 0 "[ . 1 . 2]" 1
138 1 11 CYS HB2 1 18 PHE QD 0.000 . 6.660 4.719 4.010 5.190 . 0 0 "[ . 1 . 2]" 1
139 1 11 CYS HB2 1 18 PHE QE 0.000 . 6.110 2.966 2.163 3.844 . 0 0 "[ . 1 . 2]" 1
140 1 11 CYS HB2 1 18 PHE HZ 0.000 . 4.730 4.235 3.473 4.732 0.002 4 0 "[ . 1 . 2]" 1
141 1 11 CYS HB2 1 24 TYR QD 0.000 . 7.710 3.637 3.393 4.271 . 0 0 "[ . 1 . 2]" 1
142 1 11 CYS HB2 1 24 TYR QE 0.000 . 7.330 2.171 1.985 2.711 . 0 0 "[ . 1 . 2]" 1
143 1 11 CYS HB2 1 27 HIS HD2 0.000 . 4.980 3.777 3.539 3.947 . 0 0 "[ . 1 . 2]" 1
144 1 11 CYS HB3 1 12 SER H 0.000 . 4.610 4.325 4.228 4.426 . 0 0 "[ . 1 . 2]" 1
145 1 11 CYS HB3 1 14 CYS H 0.000 . 5.570 2.939 2.843 3.074 . 0 0 "[ . 1 . 2]" 1
146 1 11 CYS HB3 1 14 CYS HB3 0.000 . 5.750 3.584 3.464 3.745 . 0 0 "[ . 1 . 2]" 1
147 1 11 CYS HB3 1 16 ILE QG 0.000 . 6.880 4.085 3.740 5.165 . 0 0 "[ . 1 . 2]" 1
148 1 11 CYS HB3 1 16 ILE MG 0.000 . 6.870 5.191 5.077 5.302 . 0 0 "[ . 1 . 2]" 1
149 1 11 CYS HB3 1 18 PHE QD 0.000 . 6.660 5.766 5.078 6.287 . 0 0 "[ . 1 . 2]" 1
150 1 11 CYS HB3 1 18 PHE QE 0.000 . 6.110 3.971 2.919 4.755 . 0 0 "[ . 1 . 2]" 1
151 1 11 CYS HB3 1 18 PHE HZ 0.000 . 4.730 4.521 3.890 4.737 0.007 11 0 "[ . 1 . 2]" 1
152 1 11 CYS HB3 1 24 TYR QD 0.000 . 7.710 5.148 4.934 5.577 . 0 0 "[ . 1 . 2]" 1
153 1 11 CYS HB3 1 24 TYR QE 0.000 . 7.330 3.682 3.483 4.077 . 0 0 "[ . 1 . 2]" 1
154 1 11 CYS HB3 1 27 HIS HD2 0.000 . 4.980 4.930 4.710 4.987 0.007 19 0 "[ . 1 . 2]" 1
155 1 12 SER H 1 12 SER QB 0.000 . 3.790 2.414 2.107 2.844 . 0 0 "[ . 1 . 2]" 1
156 1 12 SER H 1 13 THR H 0.000 . 2.860 2.729 2.599 2.869 0.009 10 0 "[ . 1 . 2]" 1
157 1 12 SER H 1 14 CYS H 0.000 . 5.500 4.393 4.165 4.513 . 0 0 "[ . 1 . 2]" 1
158 1 12 SER H 1 24 TYR QE 0.000 . 7.630 4.559 4.052 5.052 . 0 0 "[ . 1 . 2]" 1
159 1 13 THR H 1 14 CYS H 0.000 . 2.770 2.733 2.582 2.778 0.008 15 0 "[ . 1 . 2]" 1
160 1 13 THR HB 1 14 CYS H 0.000 . 3.020 2.503 2.308 2.887 . 0 0 "[ . 1 . 2]" 1
161 1 13 THR MG 1 14 CYS H 0.000 . 4.920 3.675 3.340 4.111 . 0 0 "[ . 1 . 2]" 1
162 1 13 THR MG 1 15 ASP H 0.000 . 6.530 5.135 4.881 5.426 . 0 0 "[ . 1 . 2]" 1
163 1 13 THR MG 1 33 LYS H 0.000 . 6.280 5.413 4.581 6.288 0.008 12 0 "[ . 1 . 2]" 1
164 1 13 THR MG 1 33 LYS QB 0.000 . 7.620 5.704 4.478 6.972 . 0 0 "[ . 1 . 2]" 1
165 1 13 THR MG 1 33 LYS QE 0.000 . 7.400 5.982 3.275 7.423 0.023 4 0 "[ . 1 . 2]" 1
166 1 13 THR MG 1 34 ASN H 0.000 . 6.030 4.689 3.810 5.588 . 0 0 "[ . 1 . 2]" 1
167 1 13 THR MG 1 34 ASN HA 0.000 . 6.190 3.574 2.038 5.002 . 0 0 "[ . 1 . 2]" 1
168 1 13 THR MG 1 34 ASN HB2 0.000 . 6.900 3.350 1.918 4.957 . 0 0 "[ . 1 . 2]" 1
169 1 13 THR MG 1 34 ASN QB 0.000 . 6.740 2.902 1.681 4.238 . 0 0 "[ . 1 . 2]" 1
170 1 13 THR MG 1 34 ASN HB3 0.000 . 6.900 3.485 1.852 5.105 . 0 0 "[ . 1 . 2]" 1
171 1 13 THR MG 1 34 ASN HD21 0.000 . 6.530 3.952 1.841 5.653 . 0 0 "[ . 1 . 2]" 1
172 1 13 THR MG 1 34 ASN HD22 0.000 . 6.530 3.762 2.043 6.316 . 0 0 "[ . 1 . 2]" 1
173 1 14 CYS H 1 14 CYS HB2 0.000 . 3.670 2.312 2.268 2.362 . 0 0 "[ . 1 . 2]" 1
174 1 14 CYS H 1 14 CYS HB3 0.000 . 3.460 3.551 3.538 3.560 0.100 11 0 "[ . 1 . 2]" 1
175 1 14 CYS H 1 15 ASP H 0.000 . 2.740 2.365 2.124 2.462 . 0 0 "[ . 1 . 2]" 1
176 1 14 CYS H 1 16 ILE H 0.000 . 4.450 4.234 3.969 4.454 0.004 3 0 "[ . 1 . 2]" 1
177 1 14 CYS H 1 16 ILE QG 0.000 . 6.380 4.797 4.592 6.073 . 0 0 "[ . 1 . 2]" 1
178 1 14 CYS HB2 1 15 ASP H 0.000 . 4.510 3.023 2.917 3.166 . 0 0 "[ . 1 . 2]" 1
179 1 14 CYS HB2 1 16 ILE HB 0.000 . 5.940 3.910 3.825 3.980 . 0 0 "[ . 1 . 2]" 1
180 1 14 CYS HB2 1 16 ILE MD 0.000 . 5.230 3.887 2.299 4.745 . 0 0 "[ . 1 . 2]" 1
181 1 14 CYS HB2 1 16 ILE QG 0.000 . 4.770 3.247 2.897 4.482 . 0 0 "[ . 1 . 2]" 1
182 1 14 CYS HB2 1 16 ILE MG 0.000 . 6.100 5.214 5.094 5.307 . 0 0 "[ . 1 . 2]" 1
183 1 14 CYS HB2 1 27 HIS HE1 0.000 . 5.780 3.736 3.518 3.946 . 0 0 "[ . 1 . 2]" 1
184 1 14 CYS HB3 1 15 ASP H 0.000 . 3.800 3.812 3.800 3.829 0.029 9 0 "[ . 1 . 2]" 1
185 1 14 CYS HB3 1 16 ILE HB 0.000 . 5.130 3.913 3.706 4.164 . 0 0 "[ . 1 . 2]" 1
186 1 14 CYS HB3 1 16 ILE MD 0.000 . 5.380 2.898 1.874 3.909 . 0 0 "[ . 1 . 2]" 1
187 1 14 CYS HB3 1 16 ILE QG 0.000 . 4.830 2.564 2.315 3.912 . 0 0 "[ . 1 . 2]" 1
188 1 14 CYS HB3 1 16 ILE MG 0.000 . 7.000 4.836 4.716 5.201 . 0 0 "[ . 1 . 2]" 1
189 1 14 CYS HB3 1 27 HIS HE1 0.000 . 6.000 3.605 3.316 3.842 . 0 0 "[ . 1 . 2]" 1
190 1 15 ASP H 1 15 ASP HB2 0.000 . 3.890 3.264 3.171 3.837 . 0 0 "[ . 1 . 2]" 1
191 1 15 ASP H 1 15 ASP QB 0.000 . 3.650 3.094 3.037 3.474 . 0 0 "[ . 1 . 2]" 1
192 1 15 ASP H 1 15 ASP HB3 0.000 . 3.890 3.865 3.781 3.973 0.083 9 0 "[ . 1 . 2]" 1
193 1 15 ASP H 1 16 ILE H 0.000 . 2.860 2.575 2.480 2.661 . 0 0 "[ . 1 . 2]" 1
194 1 15 ASP H 1 16 ILE MG 0.000 . 6.530 5.844 5.814 5.893 . 0 0 "[ . 1 . 2]" 1
195 1 15 ASP HA 1 16 ILE H 0.000 . 2.830 2.701 2.623 2.802 . 0 0 "[ . 1 . 2]" 1
196 1 16 ILE H 1 16 ILE HB 0.000 . 3.450 3.047 2.983 3.099 . 0 0 "[ . 1 . 2]" 1
197 1 16 ILE H 1 17 SER H 0.000 . 4.630 4.408 4.391 4.432 . 0 0 "[ . 1 . 2]" 1
198 1 16 ILE HA 1 17 SER H 0.000 . 2.400 2.400 2.385 2.405 0.005 10 0 "[ . 1 . 2]" 1
199 1 16 ILE HB 1 17 SER H 0.000 . 3.300 3.317 3.310 3.365 0.065 11 0 "[ . 1 . 2]" 1
200 1 16 ILE HB 1 18 PHE QE 0.000 . 6.690 3.548 2.925 3.881 . 0 0 "[ . 1 . 2]" 1
201 1 16 ILE MD 1 17 SER H 0.000 . 5.750 4.350 3.792 4.752 . 0 0 "[ . 1 . 2]" 1
202 1 16 ILE MD 1 18 PHE QE 0.000 . 8.650 4.276 3.264 5.565 . 0 0 "[ . 1 . 2]" 1
203 1 16 ILE MD 1 18 PHE HZ 0.000 . 6.190 4.175 3.021 5.957 . 0 0 "[ . 1 . 2]" 1
204 1 16 ILE QG 1 17 SER H 0.000 . 5.350 4.226 4.034 4.410 . 0 0 "[ . 1 . 2]" 1
205 1 16 ILE QG 1 18 PHE QD 0.000 . 8.500 6.182 5.754 6.404 . 0 0 "[ . 1 . 2]" 1
206 1 16 ILE QG 1 18 PHE QE 0.000 . 8.160 4.792 4.166 5.167 . 0 0 "[ . 1 . 2]" 1
207 1 16 ILE QG 1 18 PHE HZ 0.000 . 4.950 4.663 3.555 4.954 0.004 16 0 "[ . 1 . 2]" 1
208 1 16 ILE QG 1 27 HIS HE1 0.000 . 5.230 4.661 3.742 5.231 0.001 12 0 "[ . 1 . 2]" 1
209 1 16 ILE MG 1 17 SER H 0.000 . 4.080 1.902 1.837 1.926 . 0 0 "[ . 1 . 2]" 1
210 1 16 ILE MG 1 17 SER HA 0.000 . 6.530 3.879 3.726 3.962 . 0 0 "[ . 1 . 2]" 1
211 1 16 ILE MG 1 18 PHE H 0.000 . 6.530 4.946 4.855 5.047 . 0 0 "[ . 1 . 2]" 1
212 1 16 ILE MG 1 18 PHE QD 0.000 . 8.120 3.823 3.143 4.473 . 0 0 "[ . 1 . 2]" 1
213 1 16 ILE MG 1 18 PHE QE 0.000 . 7.160 3.100 2.029 4.045 . 0 0 "[ . 1 . 2]" 1
214 1 16 ILE MG 1 18 PHE HZ 0.000 . 5.040 3.750 3.026 4.313 . 0 0 "[ . 1 . 2]" 1
215 1 17 SER H 1 17 SER HB2 0.000 . 3.710 3.166 2.728 3.761 0.051 16 0 "[ . 1 . 2]" 1
216 1 17 SER H 1 17 SER QB 0.000 . 3.520 2.751 2.542 3.246 . 0 0 "[ . 1 . 2]" 1
217 1 17 SER H 1 17 SER HB3 0.000 . 3.710 3.126 2.626 3.715 0.005 14 0 "[ . 1 . 2]" 1
218 1 17 SER HA 1 18 PHE H 0.000 . 2.520 2.360 2.288 2.485 . 0 0 "[ . 1 . 2]" 1
219 1 17 SER HA 1 18 PHE HB2 0.000 . 4.980 4.684 4.452 4.782 . 0 0 "[ . 1 . 2]" 1
220 1 17 SER HA 1 18 PHE QE 0.000 . 7.620 4.381 3.884 4.825 . 0 0 "[ . 1 . 2]" 1
221 1 17 SER QB 1 18 PHE H 0.000 . 3.940 2.992 2.453 3.461 . 0 0 "[ . 1 . 2]" 1
222 1 17 SER QB 1 18 PHE QD 0.000 . 9.000 4.904 4.561 5.141 . 0 0 "[ . 1 . 2]" 1
223 1 17 SER QB 1 18 PHE QE 0.000 . 9.000 5.692 5.493 5.941 . 0 0 "[ . 1 . 2]" 1
224 1 17 SER HB2 1 18 PHE H 0.000 . 4.140 3.552 2.481 4.144 0.004 18 0 "[ . 1 . 2]" 1
225 1 17 SER HB3 1 18 PHE H 0.000 . 4.140 3.428 3.102 3.904 . 0 0 "[ . 1 . 2]" 1
226 1 18 PHE H 1 18 PHE HB2 0.000 . 3.430 2.868 2.810 2.956 . 0 0 "[ . 1 . 2]" 1
227 1 18 PHE H 1 18 PHE HB3 0.000 . 3.890 3.879 3.847 3.909 0.019 11 0 "[ . 1 . 2]" 1
228 1 18 PHE HA 1 19 ASN H 0.000 . 2.860 2.156 2.140 2.185 . 0 0 "[ . 1 . 2]" 1
229 1 18 PHE HA 1 20 TYR H 0.000 . 3.790 3.789 3.658 3.808 0.018 2 0 "[ . 1 . 2]" 1
230 1 18 PHE HB2 1 19 ASN H 0.000 . 4.610 4.107 3.871 4.403 . 0 0 "[ . 1 . 2]" 1
231 1 18 PHE HB2 1 23 THR HB 0.000 . 4.640 2.659 2.250 3.431 . 0 0 "[ . 1 . 2]" 1
232 1 18 PHE HB3 1 19 ASN H 0.000 . 4.140 3.356 3.101 3.690 . 0 0 "[ . 1 . 2]" 1
233 1 18 PHE HB3 1 20 TYR H 0.000 . 3.430 3.091 2.843 3.431 0.001 19 0 "[ . 1 . 2]" 1
234 1 18 PHE HB3 1 23 THR HB 0.000 . 4.200 2.027 1.963 2.346 . 0 0 "[ . 1 . 2]" 1
235 1 18 PHE HB3 1 23 THR MG 0.000 . 4.450 2.424 2.008 2.897 . 0 0 "[ . 1 . 2]" 1
236 1 18 PHE HB3 1 24 TYR QD 0.000 . 7.520 5.144 4.409 5.666 . 0 0 "[ . 1 . 2]" 1
237 1 18 PHE HB3 1 24 TYR QE 0.000 . 8.130 7.144 6.427 7.760 . 0 0 "[ . 1 . 2]" 1
238 1 18 PHE QD 1 19 ASN H 0.000 . 7.620 4.318 3.990 4.714 . 0 0 "[ . 1 . 2]" 1
239 1 18 PHE QD 1 23 THR HB 0.000 . 5.980 3.232 2.885 3.549 . 0 0 "[ . 1 . 2]" 1
240 1 18 PHE QD 1 23 THR MG 0.000 . 6.480 2.178 1.855 2.803 . 0 0 "[ . 1 . 2]" 1
241 1 18 PHE QD 1 24 TYR H 0.000 . 6.880 3.662 2.715 4.479 . 0 0 "[ . 1 . 2]" 1
242 1 18 PHE QD 1 24 TYR QB 0.000 . 8.320 2.823 2.216 3.591 . 0 0 "[ . 1 . 2]" 1
243 1 18 PHE QD 1 24 TYR QD 0.000 . 8.210 2.103 1.990 2.377 . 0 0 "[ . 1 . 2]" 1
244 1 18 PHE QD 1 24 TYR QE 0.000 . 9.750 3.982 3.331 4.623 . 0 0 "[ . 1 . 2]" 1
245 1 18 PHE QE 1 23 THR HA 0.000 . 7.620 5.846 5.614 6.035 . 0 0 "[ . 1 . 2]" 1
246 1 18 PHE QE 1 23 THR HB 0.000 . 7.620 4.793 4.507 5.204 . 0 0 "[ . 1 . 2]" 1
247 1 18 PHE QE 1 23 THR MG 0.000 . 7.350 3.057 2.719 3.489 . 0 0 "[ . 1 . 2]" 1
248 1 18 PHE QE 1 24 TYR QB 0.000 . 9.000 4.400 3.774 5.149 . 0 0 "[ . 1 . 2]" 1
249 1 18 PHE QE 1 24 TYR QD 0.000 . 8.610 2.423 1.989 3.417 . 0 0 "[ . 1 . 2]" 1
250 1 18 PHE QE 1 24 TYR QE 0.000 . 9.410 3.323 2.649 4.210 . 0 0 "[ . 1 . 2]" 1
251 1 18 PHE QE 1 27 HIS HD2 0.000 . 7.620 4.164 3.587 4.791 . 0 0 "[ . 1 . 2]" 1
252 1 18 PHE HZ 1 23 THR MG 0.000 . 6.530 4.089 3.605 4.387 . 0 0 "[ . 1 . 2]" 1
253 1 18 PHE HZ 1 24 TYR QD 0.000 . 7.640 4.581 4.043 5.204 . 0 0 "[ . 1 . 2]" 1
254 1 18 PHE HZ 1 27 HIS QB 0.000 . 6.230 3.691 3.326 4.150 . 0 0 "[ . 1 . 2]" 1
255 1 18 PHE HZ 1 27 HIS HD2 0.000 . 5.500 4.953 4.518 5.499 . 0 0 "[ . 1 . 2]" 1
256 1 19 ASN H 1 20 TYR H 0.000 . 3.210 2.597 2.429 2.739 . 0 0 "[ . 1 . 2]" 1
257 1 19 ASN HA 1 20 TYR QD 0.000 . 7.580 5.162 4.654 5.435 . 0 0 "[ . 1 . 2]" 1
258 1 19 ASN QB 1 20 TYR QD 0.000 . 8.670 3.382 2.484 3.976 . 0 0 "[ . 1 . 2]" 1
259 1 20 TYR H 1 20 TYR HB2 0.000 . 3.430 2.641 2.555 2.768 . 0 0 "[ . 1 . 2]" 1
260 1 20 TYR H 1 20 TYR HB3 0.000 . 3.710 3.690 3.636 3.722 0.012 16 0 "[ . 1 . 2]" 1
261 1 20 TYR HA 1 21 VAL H 0.000 . 2.770 2.150 2.140 2.161 . 0 0 "[ . 1 . 2]" 1
262 1 20 TYR HA 1 21 VAL MG1 0.000 . 6.530 5.463 5.454 5.475 . 0 0 "[ . 1 . 2]" 1
263 1 20 TYR HA 1 21 VAL QG 0.000 . 5.820 3.507 3.456 3.575 . 0 0 "[ . 1 . 2]" 1
264 1 20 TYR HA 1 21 VAL MG2 0.000 . 6.530 3.550 3.494 3.624 . 0 0 "[ . 1 . 2]" 1
265 1 20 TYR HA 1 22 LYS H 0.000 . 3.890 3.905 3.897 3.919 0.029 18 0 "[ . 1 . 2]" 1
266 1 20 TYR HB2 1 21 VAL H 0.000 . 4.230 4.110 4.066 4.158 . 0 0 "[ . 1 . 2]" 1
267 1 20 TYR HB2 1 22 LYS H 0.000 . 3.890 3.869 3.783 3.904 0.014 4 0 "[ . 1 . 2]" 1
268 1 20 TYR HB2 1 23 THR H 0.000 . 3.430 2.818 2.570 3.015 . 0 0 "[ . 1 . 2]" 1
269 1 20 TYR HB2 1 23 THR HB 0.000 . 4.290 3.535 2.872 3.901 . 0 0 "[ . 1 . 2]" 1
270 1 20 TYR HB3 1 21 VAL H 0.000 . 4.080 3.321 3.220 3.484 . 0 0 "[ . 1 . 2]" 1
271 1 20 TYR HB3 1 22 LYS H 0.000 . 3.640 3.106 2.893 3.409 . 0 0 "[ . 1 . 2]" 1
272 1 20 TYR HB3 1 23 THR H 0.000 . 4.020 3.446 3.366 3.569 . 0 0 "[ . 1 . 2]" 1
273 1 20 TYR QD 1 21 VAL H 0.000 . 7.640 4.288 3.863 4.623 . 0 0 "[ . 1 . 2]" 1
274 1 20 TYR QD 1 21 VAL QG 0.000 . 10.230 5.086 4.738 5.338 . 0 0 "[ . 1 . 2]" 1
275 1 20 TYR QD 1 22 LYS H 0.000 . 7.640 4.969 4.668 5.258 . 0 0 "[ . 1 . 2]" 1
276 1 20 TYR QD 1 23 THR MG 0.000 . 8.170 4.142 3.289 4.741 . 0 0 "[ . 1 . 2]" 1
277 1 20 TYR QE 1 23 THR H 0.000 . 7.630 6.781 6.534 6.954 . 0 0 "[ . 1 . 2]" 1
278 1 21 VAL H 1 21 VAL HB 0.000 . 3.020 2.668 2.608 2.704 . 0 0 "[ . 1 . 2]" 1
279 1 21 VAL H 1 21 VAL QG 0.000 . 4.260 1.979 1.918 2.087 . 0 0 "[ . 1 . 2]" 1
280 1 21 VAL H 1 22 LYS H 0.000 . 3.360 2.701 2.643 2.735 . 0 0 "[ . 1 . 2]" 1
281 1 21 VAL H 1 24 TYR H 0.000 . 5.500 5.171 5.000 5.249 . 0 0 "[ . 1 . 2]" 1
282 1 21 VAL HA 1 23 THR H 0.000 . 4.450 3.939 3.870 4.073 . 0 0 "[ . 1 . 2]" 1
283 1 21 VAL HA 1 24 TYR H 0.000 . 3.300 3.313 3.307 3.322 0.022 3 0 "[ . 1 . 2]" 1
284 1 21 VAL HA 1 24 TYR HB2 0.000 . 4.170 3.373 3.242 3.551 . 0 0 "[ . 1 . 2]" 1
285 1 21 VAL HA 1 24 TYR QB 0.000 . 3.830 3.053 2.924 3.136 . 0 0 "[ . 1 . 2]" 1
286 1 21 VAL HA 1 24 TYR HB3 0.000 . 4.170 3.492 3.298 3.627 . 0 0 "[ . 1 . 2]" 1
287 1 21 VAL HA 1 24 TYR QD 0.000 . 6.960 4.918 4.787 5.097 . 0 0 "[ . 1 . 2]" 1
288 1 21 VAL HA 1 24 TYR QE 0.000 . 7.630 6.856 6.718 6.982 . 0 0 "[ . 1 . 2]" 1
289 1 21 VAL HB 1 22 LYS H 0.000 . 2.930 2.697 2.605 2.749 . 0 0 "[ . 1 . 2]" 1
290 1 21 VAL QG 1 22 LYS H 0.000 . 4.620 3.313 3.254 3.345 . 0 0 "[ . 1 . 2]" 1
291 1 21 VAL QG 1 22 LYS HA 0.000 . 7.340 3.717 3.631 3.781 . 0 0 "[ . 1 . 2]" 1
292 1 21 VAL QG 1 24 TYR H 0.000 . 6.150 4.063 3.981 4.191 . 0 0 "[ . 1 . 2]" 1
293 1 21 VAL QG 1 24 TYR QB 0.000 . 6.900 3.089 2.989 3.259 . 0 0 "[ . 1 . 2]" 1
294 1 21 VAL QG 1 24 TYR QD 0.000 . 7.490 3.991 3.803 4.395 . 0 0 "[ . 1 . 2]" 1
295 1 21 VAL QG 1 24 TYR QE 0.000 . 8.000 5.560 5.396 5.812 . 0 0 "[ . 1 . 2]" 1
296 1 21 VAL QG 1 25 LEU HB2 0.000 . 7.250 3.902 3.299 4.310 . 0 0 "[ . 1 . 2]" 1
297 1 21 VAL QG 1 25 LEU QD 0.000 . 7.700 2.556 1.801 3.747 . 0 0 "[ . 1 . 2]" 1
298 1 21 VAL QG 1 25 LEU HG 0.000 . 5.760 4.070 2.365 5.433 . 0 0 "[ . 1 . 2]" 1
299 1 21 VAL MG1 1 22 LYS H 0.000 . 5.260 3.693 3.627 3.744 . 0 0 "[ . 1 . 2]" 1
300 1 21 VAL MG1 1 24 TYR H 0.000 . 6.530 4.237 4.125 4.421 . 0 0 "[ . 1 . 2]" 1
301 1 21 VAL MG1 1 24 TYR HB2 0.000 . 8.780 4.089 3.946 4.307 . 0 0 "[ . 1 . 2]" 1
302 1 21 VAL MG1 1 24 TYR HB3 0.000 . 8.780 3.272 3.154 3.497 . 0 0 "[ . 1 . 2]" 1
303 1 21 VAL MG1 1 24 TYR QD 0.000 . 7.890 4.079 3.873 4.543 . 0 0 "[ . 1 . 2]" 1
304 1 21 VAL MG1 1 24 TYR QE 0.000 . 8.660 5.803 5.595 6.130 . 0 0 "[ . 1 . 2]" 1
305 1 21 VAL MG1 1 25 LEU QD 0.000 . 8.380 2.571 1.803 3.794 . 0 0 "[ . 1 . 2]" 1
306 1 21 VAL MG2 1 22 LYS H 0.000 . 5.260 3.747 3.678 3.801 . 0 0 "[ . 1 . 2]" 1
307 1 21 VAL MG2 1 24 TYR H 0.000 . 6.530 5.226 5.200 5.247 . 0 0 "[ . 1 . 2]" 1
308 1 21 VAL MG2 1 24 TYR HB2 0.000 . 8.780 5.082 4.966 5.197 . 0 0 "[ . 1 . 2]" 1
309 1 21 VAL MG2 1 24 TYR HB3 0.000 . 8.780 5.050 4.955 5.124 . 0 0 "[ . 1 . 2]" 1
310 1 21 VAL MG2 1 24 TYR QD 0.000 . 7.890 5.679 5.395 5.904 . 0 0 "[ . 1 . 2]" 1
311 1 21 VAL MG2 1 24 TYR QE 0.000 . 8.660 7.131 6.924 7.287 . 0 0 "[ . 1 . 2]" 1
312 1 21 VAL MG2 1 25 LEU QD 0.000 . 8.380 4.658 3.925 5.799 . 0 0 "[ . 1 . 2]" 1
313 1 22 LYS H 1 22 LYS HD2 0.000 . 4.200 3.288 1.994 4.200 0.000 18 0 "[ . 1 . 2]" 1
314 1 22 LYS H 1 22 LYS QD 0.000 . 4.010 2.806 1.948 3.737 . 0 0 "[ . 1 . 2]" 1
315 1 22 LYS H 1 22 LYS HD3 0.000 . 4.200 3.331 1.997 4.201 0.001 14 0 "[ . 1 . 2]" 1
316 1 22 LYS H 1 23 THR H 0.000 . 3.020 2.712 2.702 2.733 . 0 0 "[ . 1 . 2]" 1
317 1 22 LYS HA 1 22 LYS HD2 0.000 . 5.160 3.953 2.019 5.172 0.012 4 0 "[ . 1 . 2]" 1
318 1 22 LYS HA 1 22 LYS HD3 0.000 . 5.160 4.388 3.164 5.166 0.006 9 0 "[ . 1 . 2]" 1
319 1 22 LYS HA 1 23 THR H 0.000 . 3.550 3.491 3.479 3.511 . 0 0 "[ . 1 . 2]" 1
320 1 22 LYS HA 1 24 TYR H 0.000 . 4.570 4.583 4.579 4.590 0.020 12 0 "[ . 1 . 2]" 1
321 1 22 LYS HA 1 25 LEU HB3 0.000 . 3.950 3.721 3.144 3.955 0.005 19 0 "[ . 1 . 2]" 1
322 1 22 LYS HA 1 25 LEU QD 0.000 . 6.520 2.884 2.030 3.378 . 0 0 "[ . 1 . 2]" 1
323 1 22 LYS HA 1 26 ALA H 0.000 . 4.010 4.008 3.893 4.024 0.014 14 0 "[ . 1 . 2]" 1
324 1 22 LYS QB 1 23 THR H 0.000 . 4.010 3.107 2.651 3.528 . 0 0 "[ . 1 . 2]" 1
325 1 22 LYS HB2 1 23 THR H 0.000 . 4.230 3.316 2.704 3.911 . 0 0 "[ . 1 . 2]" 1
326 1 22 LYS HB3 1 23 THR H 0.000 . 4.230 3.897 2.937 4.180 . 0 0 "[ . 1 . 2]" 1
327 1 22 LYS QD 1 25 LEU QD 0.000 . 7.090 4.809 2.681 6.066 . 0 0 "[ . 1 . 2]" 1
328 1 22 LYS QG 1 23 THR H 0.000 . 6.380 3.203 2.042 4.644 . 0 0 "[ . 1 . 2]" 1
329 1 23 THR H 1 23 THR HB 0.000 . 3.050 2.652 2.502 2.822 . 0 0 "[ . 1 . 2]" 1
330 1 23 THR H 1 24 TYR H 0.000 . 2.830 2.687 2.648 2.718 . 0 0 "[ . 1 . 2]" 1
331 1 23 THR H 1 24 TYR QB 0.000 . 5.550 4.411 4.374 4.440 . 0 0 "[ . 1 . 2]" 1
332 1 23 THR HB 1 24 TYR H 0.000 . 2.770 2.382 2.333 2.426 . 0 0 "[ . 1 . 2]" 1
333 1 23 THR HB 1 24 TYR QB 0.000 . 6.880 3.826 3.779 3.886 . 0 0 "[ . 1 . 2]" 1
334 1 23 THR HB 1 25 LEU H 0.000 . 4.690 4.733 4.720 4.749 0.059 12 0 "[ . 1 . 2]" 1
335 1 23 THR HB 1 26 ALA MB 0.000 . 7.030 5.559 5.405 5.764 . 0 0 "[ . 1 . 2]" 1
336 1 23 THR MG 1 24 TYR H 0.000 . 5.010 3.555 3.371 3.749 . 0 0 "[ . 1 . 2]" 1
337 1 23 THR MG 1 24 TYR QD 0.000 . 7.920 4.743 4.324 5.115 . 0 0 "[ . 1 . 2]" 1
338 1 23 THR MG 1 24 TYR QE 0.000 . 8.190 6.482 6.110 6.828 . 0 0 "[ . 1 . 2]" 1
339 1 23 THR MG 1 27 HIS H 0.000 . 5.160 4.451 4.217 4.693 . 0 0 "[ . 1 . 2]" 1
340 1 24 TYR H 1 24 TYR HB2 0.000 . 3.240 2.287 2.254 2.363 . 0 0 "[ . 1 . 2]" 1
341 1 24 TYR H 1 24 TYR HB3 0.000 . 3.240 2.802 2.698 2.846 . 0 0 "[ . 1 . 2]" 1
342 1 24 TYR H 1 25 LEU H 0.000 . 2.990 2.638 2.587 2.665 . 0 0 "[ . 1 . 2]" 1
343 1 24 TYR H 1 26 ALA H 0.000 . 4.820 4.600 4.502 4.717 . 0 0 "[ . 1 . 2]" 1
344 1 24 TYR HA 1 27 HIS H 0.000 . 3.450 3.483 3.458 3.492 0.042 5 0 "[ . 1 . 2]" 1
345 1 24 TYR HA 1 27 HIS QB 0.000 . 4.340 2.244 2.140 2.350 . 0 0 "[ . 1 . 2]" 1
346 1 24 TYR QB 1 25 LEU H 0.000 . 3.550 2.714 2.604 2.774 . 0 0 "[ . 1 . 2]" 1
347 1 24 TYR QB 1 27 HIS QB 0.000 . 5.770 4.084 4.028 4.146 . 0 0 "[ . 1 . 2]" 1
348 1 24 TYR HB2 1 25 LEU H 0.000 . 3.740 3.757 3.746 3.780 0.040 3 0 "[ . 1 . 2]" 1
349 1 24 TYR HB3 1 25 LEU H 0.000 . 3.740 2.786 2.653 2.859 . 0 0 "[ . 1 . 2]" 1
350 1 24 TYR QD 1 25 LEU H 0.000 . 6.930 4.349 4.004 4.527 . 0 0 "[ . 1 . 2]" 1
351 1 24 TYR QD 1 25 LEU HA 0.000 . 6.800 4.395 3.794 4.824 . 0 0 "[ . 1 . 2]" 1
352 1 24 TYR QD 1 25 LEU HB3 0.000 . 8.140 6.491 6.033 6.814 . 0 0 "[ . 1 . 2]" 1
353 1 24 TYR QD 1 25 LEU QD 0.000 . 8.410 4.085 2.712 5.520 . 0 0 "[ . 1 . 2]" 1
354 1 24 TYR QD 1 25 LEU HG 0.000 . 6.030 5.482 4.712 6.032 0.002 18 0 "[ . 1 . 2]" 1
355 1 24 TYR QD 1 27 HIS HD2 0.000 . 7.640 4.607 4.294 5.225 . 0 0 "[ . 1 . 2]" 1
356 1 24 TYR QE 1 25 LEU HA 0.000 . 7.630 5.957 5.398 6.285 . 0 0 "[ . 1 . 2]" 1
357 1 24 TYR QE 1 25 LEU QD 0.000 . 8.830 5.524 4.291 6.759 . 0 0 "[ . 1 . 2]" 1
358 1 24 TYR QE 1 25 LEU HG 0.000 . 7.630 7.245 6.582 7.638 0.008 7 0 "[ . 1 . 2]" 1
359 1 24 TYR QE 1 27 HIS HD2 0.000 . 7.630 4.431 4.092 5.004 . 0 0 "[ . 1 . 2]" 1
360 1 25 LEU H 1 26 ALA H 0.000 . 2.960 2.780 2.687 2.930 . 0 0 "[ . 1 . 2]" 1
361 1 25 LEU H 1 27 HIS H 0.000 . 4.510 3.612 3.565 3.716 . 0 0 "[ . 1 . 2]" 1
362 1 25 LEU HA 1 26 ALA H 0.000 . 3.480 3.550 3.547 3.552 0.072 17 0 "[ . 1 . 2]" 1
363 1 25 LEU HA 1 27 HIS H 0.000 . 4.010 3.920 3.881 3.957 . 0 0 "[ . 1 . 2]" 1
364 1 25 LEU HA 1 28 LYS H 0.000 . 3.790 3.817 3.811 3.823 0.033 18 0 "[ . 1 . 2]" 1
365 1 25 LEU HA 1 28 LYS QB 0.000 . 4.710 3.830 3.504 4.672 . 0 0 "[ . 1 . 2]" 1
366 1 25 LEU HA 1 29 GLN H 0.000 . 5.160 4.527 4.227 4.798 . 0 0 "[ . 1 . 2]" 1
367 1 25 LEU HB2 1 26 ALA H 0.000 . 3.490 2.722 2.183 3.338 . 0 0 "[ . 1 . 2]" 1
368 1 25 LEU HB2 1 27 HIS H 0.000 . 6.000 4.698 4.418 5.056 . 0 0 "[ . 1 . 2]" 1
369 1 25 LEU HB3 1 26 ALA H 0.000 . 3.740 2.608 2.120 3.024 . 0 0 "[ . 1 . 2]" 1
370 1 25 LEU QD 1 26 ALA H 0.000 . 7.540 3.718 3.229 3.896 . 0 0 "[ . 1 . 2]" 1
371 1 25 LEU HG 1 26 ALA H 0.000 . 5.130 4.648 4.325 4.859 . 0 0 "[ . 1 . 2]" 1
372 1 26 ALA H 1 26 ALA HA 0.000 . 2.710 2.793 2.777 2.803 0.093 12 0 "[ . 1 . 2]" 1
373 1 26 ALA H 1 27 HIS H 0.000 . 2.960 2.629 2.599 2.691 . 0 0 "[ . 1 . 2]" 1
374 1 26 ALA HA 1 27 HIS H 0.000 . 3.360 3.418 3.410 3.428 0.068 17 0 "[ . 1 . 2]" 1
375 1 26 ALA HA 1 29 GLN H 0.000 . 3.670 3.475 3.362 3.598 . 0 0 "[ . 1 . 2]" 1
376 1 26 ALA HA 1 29 GLN HB2 0.000 . 4.290 2.218 2.079 2.380 . 0 0 "[ . 1 . 2]" 1
377 1 26 ALA HA 1 30 PHE H 0.000 . 4.200 4.169 4.067 4.204 0.004 7 0 "[ . 1 . 2]" 1
378 1 26 ALA HA 1 30 PHE QD 0.000 . 6.320 4.931 4.628 5.167 . 0 0 "[ . 1 . 2]" 1
379 1 26 ALA HA 1 30 PHE QE 0.000 . 7.130 4.030 3.591 4.387 . 0 0 "[ . 1 . 2]" 1
380 1 26 ALA HA 1 30 PHE HZ 0.000 . 4.480 4.416 4.219 4.486 0.006 18 0 "[ . 1 . 2]" 1
381 1 26 ALA MB 1 30 PHE QD 0.000 . 7.380 4.407 3.993 4.803 . 0 0 "[ . 1 . 2]" 1
382 1 26 ALA MB 1 30 PHE QE 0.000 . 8.680 3.081 2.552 3.637 . 0 0 "[ . 1 . 2]" 1
383 1 26 ALA MB 1 30 PHE HZ 0.000 . 5.850 3.859 3.647 4.100 . 0 0 "[ . 1 . 2]" 1
384 1 26 ALA MB 1 31 TYR QE 0.000 . 8.230 5.286 4.654 5.878 . 0 0 "[ . 1 . 2]" 1
385 1 27 HIS H 1 27 HIS HB2 0.000 . 3.300 2.629 2.563 2.670 . 0 0 "[ . 1 . 2]" 1
386 1 27 HIS H 1 27 HIS QB 0.000 . 3.120 2.253 2.243 2.262 . 0 0 "[ . 1 . 2]" 1
387 1 27 HIS H 1 27 HIS HB3 0.000 . 3.300 2.452 2.416 2.517 . 0 0 "[ . 1 . 2]" 1
388 1 27 HIS H 1 27 HIS HD2 0.000 . 5.500 4.952 4.898 5.048 . 0 0 "[ . 1 . 2]" 1
389 1 27 HIS H 1 28 LYS H 0.000 . 3.480 2.746 2.703 2.795 . 0 0 "[ . 1 . 2]" 1
390 1 27 HIS H 1 29 GLN HB2 0.000 . 5.040 4.310 4.165 4.537 . 0 0 "[ . 1 . 2]" 1
391 1 27 HIS H 1 29 GLN QE 0.000 . 6.370 5.847 4.611 6.405 0.035 5 0 "[ . 1 . 2]" 1
392 1 27 HIS H 1 31 TYR HB2 0.000 . 5.260 4.452 4.370 4.540 . 0 0 "[ . 1 . 2]" 1
393 1 27 HIS H 1 31 TYR QB 0.000 . 4.950 4.109 4.059 4.161 . 0 0 "[ . 1 . 2]" 1
394 1 27 HIS H 1 31 TYR HB3 0.000 . 5.260 4.826 4.795 4.847 . 0 0 "[ . 1 . 2]" 1
395 1 27 HIS HA 1 30 PHE H 0.000 . 4.140 4.150 4.143 4.160 0.020 3 0 "[ . 1 . 2]" 1
396 1 27 HIS HA 1 31 TYR H 0.000 . 3.210 3.245 3.229 3.257 0.047 9 0 "[ . 1 . 2]" 1
397 1 27 HIS HA 1 31 TYR HB2 0.000 . 3.890 2.055 2.016 2.101 . 0 0 "[ . 1 . 2]" 1
398 1 27 HIS HA 1 31 TYR QB 0.000 . 3.530 1.801 1.785 1.815 . 0 0 "[ . 1 . 2]" 1
399 1 27 HIS HA 1 31 TYR HB3 0.000 . 3.890 1.993 1.985 2.001 . 0 0 "[ . 1 . 2]" 1
400 1 27 HIS HA 1 31 TYR QD 0.000 . 5.220 3.672 3.435 3.787 . 0 0 "[ . 1 . 2]" 1
401 1 27 HIS HA 1 31 TYR QE 0.000 . 7.260 5.537 5.451 5.627 . 0 0 "[ . 1 . 2]" 1
402 1 27 HIS HA 1 32 CYS H 0.000 . 4.110 3.824 3.546 4.112 0.002 13 0 "[ . 1 . 2]" 1
403 1 27 HIS QB 1 28 LYS H 0.000 . 4.000 2.213 2.132 2.300 . 0 0 "[ . 1 . 2]" 1
404 1 27 HIS HB2 1 28 LYS H 0.000 . 4.230 3.696 3.634 3.756 . 0 0 "[ . 1 . 2]" 1
405 1 27 HIS HB3 1 28 LYS H 0.000 . 4.230 2.230 2.147 2.322 . 0 0 "[ . 1 . 2]" 1
406 1 27 HIS HD2 1 28 LYS H 0.000 . 4.910 3.146 2.989 3.393 . 0 0 "[ . 1 . 2]" 1
407 1 27 HIS HD2 1 28 LYS HA 0.000 . 4.010 2.926 2.803 3.145 . 0 0 "[ . 1 . 2]" 1
408 1 27 HIS HD2 1 28 LYS QB 0.000 . 6.810 3.851 3.121 4.179 . 0 0 "[ . 1 . 2]" 1
409 1 27 HIS HD2 1 28 LYS QD 0.000 . 5.880 3.827 1.840 5.859 . 0 0 "[ . 1 . 2]" 1
410 1 27 HIS HD2 1 28 LYS HG2 0.000 . 4.970 3.447 2.336 4.972 0.002 15 0 "[ . 1 . 2]" 1
411 1 27 HIS HD2 1 28 LYS QG 0.000 . 4.380 2.993 2.322 4.331 . 0 0 "[ . 1 . 2]" 1
412 1 27 HIS HD2 1 28 LYS HG3 0.000 . 4.970 3.827 2.425 4.974 0.004 4 0 "[ . 1 . 2]" 1
413 1 27 HIS HD2 1 32 CYS H 0.000 . 5.500 4.342 4.048 4.556 . 0 0 "[ . 1 . 2]" 1
414 1 27 HIS HD2 1 32 CYS HB2 0.000 . 4.760 2.272 2.186 2.401 . 0 0 "[ . 1 . 2]" 1
415 1 27 HIS HD2 1 32 CYS HB3 0.000 . 5.100 3.888 3.774 4.114 . 0 0 "[ . 1 . 2]" 1
416 1 27 HIS HE1 1 32 CYS HA 0.000 . 3.860 3.658 3.268 3.864 0.004 9 0 "[ . 1 . 2]" 1
417 1 27 HIS HE1 1 32 CYS HB2 0.000 . 5.070 4.622 4.427 4.871 . 0 0 "[ . 1 . 2]" 1
418 1 28 LYS H 1 28 LYS HG2 0.000 . 4.260 3.116 1.999 4.271 0.011 9 0 "[ . 1 . 2]" 1
419 1 28 LYS H 1 28 LYS QG 0.000 . 3.860 2.571 1.967 3.767 . 0 0 "[ . 1 . 2]" 1
420 1 28 LYS H 1 28 LYS HG3 0.000 . 4.260 3.061 1.993 4.234 . 0 0 "[ . 1 . 2]" 1
421 1 28 LYS H 1 29 GLN H 0.000 . 3.210 2.600 2.564 2.630 . 0 0 "[ . 1 . 2]" 1
422 1 28 LYS HA 1 31 TYR H 0.000 . 4.230 4.257 4.244 4.267 0.037 12 0 "[ . 1 . 2]" 1
423 1 28 LYS HA 1 32 CYS H 0.000 . 3.790 3.422 3.336 3.571 . 0 0 "[ . 1 . 2]" 1
424 1 28 LYS HA 1 32 CYS HB2 0.000 . 3.520 2.298 2.077 2.606 . 0 0 "[ . 1 . 2]" 1
425 1 28 LYS HA 1 32 CYS HB3 0.000 . 3.360 2.660 2.356 3.016 . 0 0 "[ . 1 . 2]" 1
426 1 28 LYS QB 1 29 GLN H 0.000 . 4.830 3.233 3.016 3.709 . 0 0 "[ . 1 . 2]" 1
427 1 29 GLN H 1 29 GLN HA 0.000 . 2.830 2.822 2.800 2.840 0.010 10 0 "[ . 1 . 2]" 1
428 1 29 GLN H 1 29 GLN HB2 0.000 . 3.490 2.205 2.065 2.340 . 0 0 "[ . 1 . 2]" 1
429 1 29 GLN H 1 29 GLN HG2 0.000 . 4.760 3.408 2.599 4.456 . 0 0 "[ . 1 . 2]" 1
430 1 29 GLN H 1 29 GLN QG 0.000 . 3.980 2.934 2.528 3.820 . 0 0 "[ . 1 . 2]" 1
431 1 29 GLN H 1 29 GLN HG3 0.000 . 4.760 3.555 2.812 4.400 . 0 0 "[ . 1 . 2]" 1
432 1 29 GLN H 1 30 PHE H 0.000 . 3.520 2.904 2.833 2.976 . 0 0 "[ . 1 . 2]" 1
433 1 29 GLN H 1 30 PHE QD 0.000 . 7.620 5.090 4.662 5.311 . 0 0 "[ . 1 . 2]" 1
434 1 29 GLN H 1 31 TYR H 0.000 . 4.850 3.598 3.519 3.708 . 0 0 "[ . 1 . 2]" 1
435 1 29 GLN HA 1 29 GLN QG 0.000 . 3.780 2.451 2.037 2.746 . 0 0 "[ . 1 . 2]" 1
436 1 29 GLN HA 1 30 PHE QD 0.000 . 7.620 4.634 4.106 4.971 . 0 0 "[ . 1 . 2]" 1
437 1 29 GLN HB2 1 30 PHE H 0.000 . 3.520 2.419 2.208 2.798 . 0 0 "[ . 1 . 2]" 1
438 1 29 GLN HB2 1 30 PHE QD 0.000 . 7.440 3.893 3.391 4.362 . 0 0 "[ . 1 . 2]" 1
439 1 29 GLN HB2 1 30 PHE QE 0.000 . 8.120 3.889 3.441 4.287 . 0 0 "[ . 1 . 2]" 1
440 1 29 GLN HB2 1 31 TYR H 0.000 . 6.000 4.042 3.860 4.338 . 0 0 "[ . 1 . 2]" 1
441 1 29 GLN HB3 1 30 PHE H 0.000 . 4.980 2.746 2.361 3.019 . 0 0 "[ . 1 . 2]" 1
442 1 29 GLN HB3 1 30 PHE QD 0.000 . 8.120 3.021 2.419 3.531 . 0 0 "[ . 1 . 2]" 1
443 1 29 GLN HB3 1 30 PHE QE 0.000 . 8.120 3.205 2.678 3.650 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLN QG 1 30 PHE H 0.000 . 6.380 4.103 3.973 4.193 . 0 0 "[ . 1 . 2]" 1
445 1 29 GLN QG 1 30 PHE QD 0.000 . 8.500 4.462 3.841 4.882 . 0 0 "[ . 1 . 2]" 1
446 1 29 GLN QG 1 30 PHE QE 0.000 . 8.500 4.004 3.394 4.638 . 0 0 "[ . 1 . 2]" 1
447 1 30 PHE H 1 30 PHE HB2 0.000 . 3.710 3.718 3.695 3.737 0.027 12 0 "[ . 1 . 2]" 1
448 1 30 PHE H 1 30 PHE HB3 0.000 . 3.610 3.661 3.640 3.682 0.072 12 0 "[ . 1 . 2]" 1
449 1 30 PHE H 1 31 TYR H 0.000 . 2.680 1.959 1.941 1.985 . 0 0 "[ . 1 . 2]" 1
450 1 30 PHE HA 1 31 TYR H 0.000 . 3.420 3.083 3.043 3.122 . 0 0 "[ . 1 . 2]" 1
451 1 30 PHE HB2 1 31 TYR H 0.000 . 4.080 4.207 4.180 4.225 0.145 12 0 "[ . 1 . 2]" 1
452 1 30 PHE HB2 1 31 TYR QD 0.000 . 8.080 4.912 4.334 5.402 . 0 0 "[ . 1 . 2]" 1
453 1 30 PHE HB2 1 31 TYR QE 0.000 . 7.480 6.534 6.149 6.790 . 0 0 "[ . 1 . 2]" 1
454 1 30 PHE HB3 1 31 TYR QD 0.000 . 7.830 6.221 5.848 6.560 . 0 0 "[ . 1 . 2]" 1
455 1 30 PHE HB3 1 31 TYR QE 0.000 . 8.130 7.979 7.728 8.131 0.001 2 0 "[ . 1 . 2]" 1
456 1 30 PHE QD 1 31 TYR H 0.000 . 7.620 3.477 2.973 4.005 . 0 0 "[ . 1 . 2]" 1
457 1 31 TYR H 1 31 TYR HB2 0.000 . 3.740 2.437 2.426 2.454 . 0 0 "[ . 1 . 2]" 1
458 1 31 TYR H 1 31 TYR QB 0.000 . 3.570 2.358 2.349 2.379 . 0 0 "[ . 1 . 2]" 1
459 1 31 TYR H 1 31 TYR HB3 0.000 . 3.740 3.138 3.091 3.194 . 0 0 "[ . 1 . 2]" 1
460 1 31 TYR H 1 32 CYS H 0.000 . 2.930 2.015 1.993 2.061 . 0 0 "[ . 1 . 2]" 1
461 1 31 TYR H 1 32 CYS HB2 0.000 . 4.230 4.177 4.079 4.218 . 0 0 "[ . 1 . 2]" 1
462 1 31 TYR H 1 32 CYS HB3 0.000 . 4.360 4.394 4.382 4.417 0.057 9 0 "[ . 1 . 2]" 1
463 1 31 TYR HA 1 32 CYS H 0.000 . 3.550 3.425 3.319 3.475 . 0 0 "[ . 1 . 2]" 1
464 1 31 TYR QB 1 32 CYS H 0.000 . 4.300 3.082 2.941 3.348 . 0 0 "[ . 1 . 2]" 1
465 1 31 TYR HB2 1 32 CYS H 0.000 . 4.510 3.665 3.520 3.878 . 0 0 "[ . 1 . 2]" 1
466 1 31 TYR HB3 1 32 CYS H 0.000 . 4.510 3.315 3.148 3.659 . 0 0 "[ . 1 . 2]" 1
467 1 32 CYS H 1 32 CYS HB2 0.000 . 3.300 2.541 2.387 2.664 . 0 0 "[ . 1 . 2]" 1
468 1 32 CYS H 1 32 CYS HB3 0.000 . 3.360 2.624 2.601 2.669 . 0 0 "[ . 1 . 2]" 1
469 1 32 CYS HA 1 33 LYS H 0.000 . 2.710 2.230 2.139 2.356 . 0 0 "[ . 1 . 2]" 1
470 1 32 CYS HA 1 34 ASN H 0.000 . 4.040 3.870 3.459 4.077 0.037 15 0 "[ . 1 . 2]" 1
471 1 32 CYS HB2 1 33 LYS H 0.000 . 4.510 4.210 3.959 4.500 . 0 0 "[ . 1 . 2]" 1
472 1 32 CYS HB2 1 34 ASN H 0.000 . 4.570 4.438 4.219 4.602 0.032 12 0 "[ . 1 . 2]" 1
473 1 32 CYS HB3 1 33 LYS H 0.000 . 4.570 3.934 3.521 4.329 . 0 0 "[ . 1 . 2]" 1
474 1 32 CYS HB3 1 34 ASN H 0.000 . 4.290 3.269 2.748 3.829 . 0 0 "[ . 1 . 2]" 1
475 1 33 LYS H 1 33 LYS QD 0.000 . 4.520 3.654 1.966 4.532 0.012 14 0 "[ . 1 . 2]" 1
476 1 33 LYS H 1 33 LYS HG2 0.000 . 4.510 2.979 2.015 4.627 0.117 4 0 "[ . 1 . 2]" 1
477 1 33 LYS H 1 33 LYS QG 0.000 . 4.240 2.443 1.947 4.028 . 0 0 "[ . 1 . 2]" 1
478 1 33 LYS H 1 33 LYS HG3 0.000 . 4.510 2.984 1.993 4.523 0.013 14 0 "[ . 1 . 2]" 1
479 1 33 LYS H 1 34 ASN H 0.000 . 2.930 2.775 2.251 2.934 0.004 5 0 "[ . 1 . 2]" 1
480 1 33 LYS HA 1 34 ASN H 0.000 . 2.960 2.925 2.835 2.980 0.020 3 0 "[ . 1 . 2]" 1
481 1 33 LYS QB 1 34 ASN H 0.000 . 5.640 3.945 3.748 4.045 . 0 0 "[ . 1 . 2]" 1
482 1 33 LYS QD 1 34 ASN H 0.000 . 5.850 5.133 3.083 5.859 0.009 3 0 "[ . 1 . 2]" 1
483 1 33 LYS HG2 1 34 ASN H 0.000 . 5.500 4.732 3.639 5.543 0.043 4 0 "[ . 1 . 2]" 1
484 1 33 LYS HG3 1 34 ASN H 0.000 . 5.500 4.485 3.665 5.518 0.018 3 0 "[ . 1 . 2]" 1
485 1 34 ASN H 1 34 ASN HB2 0.000 . 3.830 2.825 2.290 3.648 . 0 0 "[ . 1 . 2]" 1
486 1 34 ASN H 1 34 ASN QB 0.000 . 3.570 2.587 2.262 2.901 . 0 0 "[ . 1 . 2]" 1
487 1 34 ASN H 1 34 ASN HB3 0.000 . 3.830 3.293 2.475 3.854 0.024 4 0 "[ . 1 . 2]" 1
488 1 34 ASN H 1 35 LYS H 0.000 . 3.640 3.438 2.956 3.651 0.011 5 0 "[ . 1 . 2]" 1
489 1 34 ASN HA 1 35 LYS H 0.000 . 2.680 2.447 2.232 2.684 0.004 9 0 "[ . 1 . 2]" 1
490 1 34 ASN HB2 1 35 LYS H 0.000 . 4.980 4.588 4.339 4.673 . 0 0 "[ . 1 . 2]" 1
491 1 34 ASN HB3 1 35 LYS H 0.000 . 4.980 4.326 4.079 4.654 . 0 0 "[ . 1 . 2]" 1
492 1 35 LYS H 1 35 LYS HB2 0.000 . 4.050 3.139 2.231 3.996 . 0 0 "[ . 1 . 2]" 1
493 1 35 LYS H 1 35 LYS QB 0.000 . 3.750 2.758 2.205 3.360 . 0 0 "[ . 1 . 2]" 1
494 1 35 LYS H 1 35 LYS HB3 0.000 . 4.050 3.353 2.515 4.074 0.024 6 0 "[ . 1 . 2]" 1
495 1 35 LYS HA 1 36 PRO HD2 0.000 . 3.110 2.270 2.012 2.538 . 0 0 "[ . 1 . 2]" 1
496 1 35 LYS HA 1 36 PRO QD 0.000 . 2.860 2.095 1.964 2.344 . 0 0 "[ . 1 . 2]" 1
497 1 35 LYS HA 1 36 PRO HD3 0.000 . 3.110 2.623 2.312 3.123 0.013 13 0 "[ . 1 . 2]" 1
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