NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
502635 |
2rrb   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rrb
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 1110
_Distance_constraint_stats_list.Viol_count 177
_Distance_constraint_stats_list.Viol_total 101.413
_Distance_constraint_stats_list.Viol_max 0.108
_Distance_constraint_stats_list.Viol_rms 0.0033
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0002
_Distance_constraint_stats_list.Viol_average_violations_only 0.0286
_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 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 CYS 0.041 0.041 14 0 "[ . 1 . 2]"
1 14 CYS 0.380 0.071 19 0 "[ . 1 . 2]"
1 15 LEU 0.380 0.071 19 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 SER 0.701 0.055 6 0 "[ . 1 . 2]"
1 22 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 TYR 0.701 0.055 6 0 "[ . 1 . 2]"
1 24 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 THR 0.014 0.014 15 0 "[ . 1 . 2]"
1 26 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 ASP 0.014 0.014 15 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.011 0.005 18 0 "[ . 1 . 2]"
1 31 GLU 0.010 0.007 5 0 "[ . 1 . 2]"
1 32 VAL 0.042 0.016 4 0 "[ . 1 . 2]"
1 33 PHE 0.010 0.007 5 0 "[ . 1 . 2]"
1 34 SER 1.223 0.060 17 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 PRO 0.897 0.060 17 0 "[ . 1 . 2]"
1 39 ILE 0.296 0.027 11 0 "[ . 1 . 2]"
1 40 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 VAL 0.041 0.041 14 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 GLU 0.372 0.030 15 0 "[ . 1 . 2]"
1 70 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.372 0.030 15 0 "[ . 1 . 2]"
1 72 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ARG 0.028 0.022 10 0 "[ . 1 . 2]"
1 74 ALA 0.448 0.047 3 0 "[ . 1 . 2]"
1 75 ASN 0.028 0.022 10 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 MET 2.289 0.108 12 0 "[ . 1 . 2]"
1 78 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 80 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 82 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 84 ILE 1.841 0.108 12 0 "[ . 1 . 2]"
1 85 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 86 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 89 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 90 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 93 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 94 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 96 THR 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 LEU H 3.380 . 3.880 2.750 2.262 3.462 . 0 0 "[ . 1 . 2]" 1
2 1 7 ALA MB 1 8 ASN H 5.840 . 6.340 2.729 1.973 3.768 . 0 0 "[ . 1 . 2]" 1
3 1 8 ASN HA 1 9 PRO HD2 3.290 . 3.790 2.369 2.184 3.131 . 0 0 "[ . 1 . 2]" 1
4 1 8 ASN HA 1 9 PRO HD3 3.290 . 3.790 2.549 2.118 3.119 . 0 0 "[ . 1 . 2]" 1
5 1 8 ASN QB 1 9 PRO QD 5.320 . 5.820 3.350 2.130 3.904 . 0 0 "[ . 1 . 2]" 1
6 1 9 PRO HA 1 10 ASP H 3.210 . 3.710 2.432 2.143 3.308 . 0 0 "[ . 1 . 2]" 1
7 1 9 PRO QB 1 10 ASP H 4.590 . 5.090 3.020 2.270 4.006 . 0 0 "[ . 1 . 2]" 1
8 1 9 PRO HB2 1 10 ASP H 4.790 . 5.290 3.226 2.303 4.416 . 0 0 "[ . 1 . 2]" 1
9 1 9 PRO HB3 1 10 ASP H 4.790 . 5.290 3.825 3.004 4.602 . 0 0 "[ . 1 . 2]" 1
10 1 9 PRO QG 1 10 ASP H 6.120 . 6.620 4.211 3.179 4.673 . 0 0 "[ . 1 . 2]" 1
11 1 10 ASP H 1 10 ASP HB2 3.800 . 4.300 3.095 2.392 3.493 . 0 0 "[ . 1 . 2]" 1
12 1 10 ASP H 1 10 ASP QB 3.630 . 4.130 2.619 2.164 2.873 . 0 0 "[ . 1 . 2]" 1
13 1 10 ASP H 1 10 ASP HB3 3.800 . 4.300 2.896 2.411 3.716 . 0 0 "[ . 1 . 2]" 1
14 1 10 ASP HA 1 11 PRO HD2 3.430 . 3.930 2.448 2.099 2.985 . 0 0 "[ . 1 . 2]" 1
15 1 10 ASP HA 1 11 PRO QD 3.360 . 3.860 2.115 1.983 2.431 . 0 0 "[ . 1 . 2]" 1
16 1 10 ASP HA 1 11 PRO HD3 3.430 . 3.930 2.451 2.020 3.224 . 0 0 "[ . 1 . 2]" 1
17 1 11 PRO QG 1 12 ASN H 5.690 . 6.190 4.514 3.956 4.826 . 0 0 "[ . 1 . 2]" 1
18 1 12 ASN H 1 13 CYS H 4.380 . 4.880 3.838 2.213 4.442 . 0 0 "[ . 1 . 2]" 1
19 1 12 ASN H 1 64 VAL MG2 5.220 . 5.720 2.776 1.861 4.416 . 0 0 "[ . 1 . 2]" 1
20 1 12 ASN QB 1 13 CYS H 4.620 . 5.120 3.509 2.299 4.010 . 0 0 "[ . 1 . 2]" 1
21 1 12 ASN QB 1 64 VAL MG2 5.200 . 5.700 3.441 2.089 3.913 . 0 0 "[ . 1 . 2]" 1
22 1 12 ASN HB2 1 64 VAL MG2 5.380 . 5.880 4.062 3.257 4.517 . 0 0 "[ . 1 . 2]" 1
23 1 12 ASN HB3 1 64 VAL MG2 5.380 . 5.880 3.875 2.111 4.510 . 0 0 "[ . 1 . 2]" 1
24 1 13 CYS H 1 13 CYS HB2 4.060 . 4.560 3.108 2.429 3.690 . 0 0 "[ . 1 . 2]" 1
25 1 13 CYS H 1 13 CYS HB3 4.060 . 4.560 3.204 2.572 4.067 . 0 0 "[ . 1 . 2]" 1
26 1 13 CYS H 1 14 CYS H 3.750 . 4.250 2.831 2.536 3.458 . 0 0 "[ . 1 . 2]" 1
27 1 13 CYS H 1 64 VAL MG2 5.780 . 6.280 3.219 1.759 4.390 0.041 14 0 "[ . 1 . 2]" 1
28 1 13 CYS HA 1 64 VAL HA 3.960 . 4.460 2.477 2.159 2.915 . 0 0 "[ . 1 . 2]" 1
29 1 13 CYS HA 1 64 VAL MG2 5.220 . 5.720 3.462 2.646 4.348 . 0 0 "[ . 1 . 2]" 1
30 1 13 CYS HA 1 67 ALA MB 4.230 . 4.730 2.293 2.053 2.896 . 0 0 "[ . 1 . 2]" 1
31 1 13 CYS QB 1 61 PHE H 4.660 . 5.160 3.375 3.001 3.851 . 0 0 "[ . 1 . 2]" 1
32 1 13 CYS HB2 1 61 PHE H 4.880 . 5.380 4.022 3.033 4.904 . 0 0 "[ . 1 . 2]" 1
33 1 13 CYS HB3 1 61 PHE H 4.880 . 5.380 4.204 3.171 4.918 . 0 0 "[ . 1 . 2]" 1
34 1 14 CYS H 1 14 CYS HB2 4.180 . 4.680 3.109 2.437 3.944 . 0 0 "[ . 1 . 2]" 1
35 1 14 CYS H 1 14 CYS HB3 4.180 . 4.680 3.232 2.458 3.659 . 0 0 "[ . 1 . 2]" 1
36 1 14 CYS H 1 15 LEU H 100.000 4.500 100.500 4.482 4.429 4.511 0.071 19 0 "[ . 1 . 2]" 1
37 1 14 CYS HA 1 60 TYR HA 3.810 . 4.310 2.500 2.268 2.698 . 0 0 "[ . 1 . 2]" 1
38 1 14 CYS QB 1 60 TYR QD 5.540 . 6.040 2.697 2.232 3.515 . 0 0 "[ . 1 . 2]" 1
39 1 14 CYS QB 1 60 TYR QE 5.060 . 5.560 2.955 2.444 3.340 . 0 0 "[ . 1 . 2]" 1
40 1 15 LEU H 1 15 LEU HG 4.280 . 4.780 2.962 2.747 3.074 . 0 0 "[ . 1 . 2]" 1
41 1 15 LEU H 1 59 VAL H 4.320 . 4.820 3.078 2.955 3.218 . 0 0 "[ . 1 . 2]" 1
42 1 15 LEU H 1 60 TYR HA 4.550 . 5.050 3.501 3.311 3.696 . 0 0 "[ . 1 . 2]" 1
43 1 15 LEU HA 1 15 LEU MD2 4.380 . 4.880 2.248 2.192 2.338 . 0 0 "[ . 1 . 2]" 1
44 1 15 LEU HA 1 16 GLY H 3.410 . 3.910 2.157 2.136 2.182 . 0 0 "[ . 1 . 2]" 1
45 1 15 LEU HA 1 88 PHE HA 3.000 . 3.500 2.456 2.294 2.662 . 0 0 "[ . 1 . 2]" 1
46 1 15 LEU HA 1 89 SER H 4.110 . 4.610 2.885 2.386 3.247 . 0 0 "[ . 1 . 2]" 1
47 1 15 LEU QB 1 16 GLY H 4.500 . 5.000 2.902 2.764 3.114 . 0 0 "[ . 1 . 2]" 1
48 1 15 LEU QB 1 59 VAL HB 5.050 . 5.550 2.570 2.324 2.829 . 0 0 "[ . 1 . 2]" 1
49 1 15 LEU QB 1 86 VAL MG1 5.100 . 5.600 2.545 2.351 2.946 . 0 0 "[ . 1 . 2]" 1
50 1 15 LEU HB2 1 16 GLY H 4.680 . 5.180 3.967 3.815 4.146 . 0 0 "[ . 1 . 2]" 1
51 1 15 LEU HB2 1 86 VAL MG1 5.200 . 5.700 3.632 3.376 4.171 . 0 0 "[ . 1 . 2]" 1
52 1 15 LEU HB3 1 16 GLY H 4.680 . 5.180 2.985 2.837 3.219 . 0 0 "[ . 1 . 2]" 1
53 1 15 LEU HB3 1 86 VAL MG1 5.200 . 5.700 2.600 2.397 3.011 . 0 0 "[ . 1 . 2]" 1
54 1 15 LEU MD1 1 33 PHE QE 5.720 . 6.220 3.310 2.469 3.750 . 0 0 "[ . 1 . 2]" 1
55 1 15 LEU MD1 1 59 VAL HB 5.680 . 6.180 3.559 3.149 3.856 . 0 0 "[ . 1 . 2]" 1
56 1 15 LEU MD1 1 61 PHE QD 5.410 . 5.910 3.349 2.685 3.924 . 0 0 "[ . 1 . 2]" 1
57 1 15 LEU MD1 1 61 PHE QE 4.970 . 5.470 2.268 2.170 2.369 . 0 0 "[ . 1 . 2]" 1
58 1 15 LEU MD1 1 67 ALA HA 4.860 . 5.360 2.708 2.426 2.920 . 0 0 "[ . 1 . 2]" 1
59 1 15 LEU MD1 1 67 ALA MB 5.710 . 6.210 3.026 2.645 3.353 . 0 0 "[ . 1 . 2]" 1
60 1 15 LEU MD1 1 70 ALA MB 4.700 . 5.200 2.107 1.993 2.227 . 0 0 "[ . 1 . 2]" 1
61 1 15 LEU MD1 1 71 LYS H 4.580 . 5.080 2.589 2.360 2.807 . 0 0 "[ . 1 . 2]" 1
62 1 15 LEU MD1 1 71 LYS HA 4.670 . 5.170 2.775 2.509 3.124 . 0 0 "[ . 1 . 2]" 1
63 1 15 LEU MD1 1 71 LYS QB 4.480 . 4.980 2.410 2.268 2.587 . 0 0 "[ . 1 . 2]" 1
64 1 15 LEU MD1 1 86 VAL MG1 4.790 . 5.290 2.318 2.055 2.926 . 0 0 "[ . 1 . 2]" 1
65 1 15 LEU MD2 1 16 GLY H 5.490 . 5.990 3.717 3.605 3.862 . 0 0 "[ . 1 . 2]" 1
66 1 15 LEU MD2 1 67 ALA MB 5.420 . 5.920 2.431 2.278 2.672 . 0 0 "[ . 1 . 2]" 1
67 1 15 LEU MD2 1 71 LYS H 5.480 . 5.980 3.539 3.409 3.676 . 0 0 "[ . 1 . 2]" 1
68 1 15 LEU MD2 1 71 LYS QB 4.970 . 5.470 2.157 2.054 2.292 . 0 0 "[ . 1 . 2]" 1
69 1 15 LEU MD2 1 86 VAL MG1 5.670 . 6.170 3.110 2.866 3.380 . 0 0 "[ . 1 . 2]" 1
70 1 15 LEU MD2 1 88 PHE QD 5.000 . 5.500 2.262 2.141 2.405 . 0 0 "[ . 1 . 2]" 1
71 1 15 LEU MD2 1 89 SER H 5.520 . 6.020 3.442 3.152 3.700 . 0 0 "[ . 1 . 2]" 1
72 1 15 LEU HG 1 61 PHE QE 5.300 . 5.800 3.456 2.483 4.275 . 0 0 "[ . 1 . 2]" 1
73 1 16 GLY H 1 86 VAL MG1 5.540 . 6.040 4.118 3.917 4.330 . 0 0 "[ . 1 . 2]" 1
74 1 16 GLY H 1 87 ASP H 4.310 . 4.810 3.180 3.096 3.298 . 0 0 "[ . 1 . 2]" 1
75 1 16 GLY H 1 88 PHE HA 4.000 . 4.500 3.653 3.489 3.821 . 0 0 "[ . 1 . 2]" 1
76 1 16 GLY H 1 89 SER H 4.690 . 5.190 3.922 3.303 4.249 . 0 0 "[ . 1 . 2]" 1
77 1 16 GLY QA 1 18 PHE QD 6.120 . 6.620 4.265 4.056 4.382 . 0 0 "[ . 1 . 2]" 1
78 1 16 GLY QA 1 18 PHE QE 4.980 . 5.480 2.741 2.450 2.886 . 0 0 "[ . 1 . 2]" 1
79 1 16 GLY QA 1 18 PHE HZ 5.340 . 5.840 2.793 2.601 2.978 . 0 0 "[ . 1 . 2]" 1
80 1 16 GLY QA 1 58 PHE HA 4.470 . 4.970 2.262 2.223 2.326 . 0 0 "[ . 1 . 2]" 1
81 1 16 GLY QA 1 58 PHE QD 5.440 . 5.940 2.401 2.257 2.750 . 0 0 "[ . 1 . 2]" 1
82 1 16 GLY HA2 1 58 PHE HA 4.710 . 5.210 2.274 2.235 2.339 . 0 0 "[ . 1 . 2]" 1
83 1 16 GLY HA2 1 59 VAL H 5.150 . 5.650 3.605 3.583 3.626 . 0 0 "[ . 1 . 2]" 1
84 1 16 GLY HA3 1 58 PHE HA 4.710 . 5.210 4.025 3.979 4.091 . 0 0 "[ . 1 . 2]" 1
85 1 16 GLY HA3 1 59 VAL H 5.150 . 5.650 5.187 5.165 5.202 . 0 0 "[ . 1 . 2]" 1
86 1 17 VAL H 1 17 VAL HB 3.820 . 4.320 2.738 2.702 2.798 . 0 0 "[ . 1 . 2]" 1
87 1 17 VAL H 1 57 ALA H 4.010 . 4.510 3.017 2.966 3.079 . 0 0 "[ . 1 . 2]" 1
88 1 17 VAL H 1 57 ALA MB 5.920 . 6.420 3.801 3.728 3.869 . 0 0 "[ . 1 . 2]" 1
89 1 17 VAL H 1 58 PHE HA 4.540 . 5.040 3.188 3.092 3.248 . 0 0 "[ . 1 . 2]" 1
90 1 17 VAL HA 1 18 PHE H 3.240 . 3.740 2.160 2.134 2.186 . 0 0 "[ . 1 . 2]" 1
91 1 17 VAL HA 1 18 PHE QD 5.140 . 5.640 3.199 3.060 3.293 . 0 0 "[ . 1 . 2]" 1
92 1 17 VAL HA 1 86 VAL HA 3.810 . 4.310 2.681 2.610 2.737 . 0 0 "[ . 1 . 2]" 1
93 1 17 VAL HA 1 86 VAL MG2 4.800 . 5.300 2.812 2.646 3.093 . 0 0 "[ . 1 . 2]" 1
94 1 17 VAL HA 1 87 ASP H 4.540 . 5.040 4.022 3.900 4.130 . 0 0 "[ . 1 . 2]" 1
95 1 17 VAL HB 1 18 PHE HA 5.290 . 5.790 4.979 4.945 5.046 . 0 0 "[ . 1 . 2]" 1
96 1 17 VAL HB 1 20 LEU MD1 4.640 . 5.140 2.709 2.481 3.043 . 0 0 "[ . 1 . 2]" 1
97 1 17 VAL HB 1 57 ALA H 4.170 . 4.670 3.428 3.341 3.521 . 0 0 "[ . 1 . 2]" 1
98 1 17 VAL HB 1 86 VAL MG2 5.790 . 6.290 4.492 4.416 4.591 . 0 0 "[ . 1 . 2]" 1
99 1 17 VAL MG1 1 18 PHE H 4.640 . 5.140 2.763 2.581 2.881 . 0 0 "[ . 1 . 2]" 1
100 1 17 VAL MG1 1 33 PHE QE 5.300 . 5.800 2.933 2.568 3.272 . 0 0 "[ . 1 . 2]" 1
101 1 17 VAL MG1 1 33 PHE HZ 4.920 . 5.420 2.566 2.442 2.715 . 0 0 "[ . 1 . 2]" 1
102 1 17 VAL MG1 1 84 ILE HB 3.810 . 4.310 3.040 2.944 3.174 . 0 0 "[ . 1 . 2]" 1
103 1 17 VAL MG1 1 85 ARG H 4.740 . 5.240 3.855 3.533 3.954 . 0 0 "[ . 1 . 2]" 1
104 1 17 VAL MG2 1 18 PHE H 5.560 . 6.060 4.145 4.018 4.190 . 0 0 "[ . 1 . 2]" 1
105 1 17 VAL MG2 1 33 PHE QE 5.680 . 6.180 2.928 2.751 3.058 . 0 0 "[ . 1 . 2]" 1
106 1 17 VAL MG2 1 33 PHE HZ 4.240 . 4.740 2.704 2.369 2.904 . 0 0 "[ . 1 . 2]" 1
107 1 17 VAL MG2 1 59 VAL H 5.640 . 6.140 3.526 3.292 3.749 . 0 0 "[ . 1 . 2]" 1
108 1 17 VAL MG2 1 59 VAL HB 4.550 . 5.050 3.120 2.969 3.365 . 0 0 "[ . 1 . 2]" 1
109 1 17 VAL MG2 1 59 VAL MG2 4.670 . 5.170 2.209 2.131 2.370 . 0 0 "[ . 1 . 2]" 1
110 1 17 VAL MG2 1 74 ALA MB 6.490 . 6.990 4.259 4.074 4.503 . 0 0 "[ . 1 . 2]" 1
111 1 17 VAL MG2 1 84 ILE MD 5.580 . 6.080 3.774 3.622 3.878 . 0 0 "[ . 1 . 2]" 1
112 1 17 VAL MG2 1 86 VAL HA 5.140 . 5.640 3.458 3.169 3.615 . 0 0 "[ . 1 . 2]" 1
113 1 17 VAL MG2 1 86 VAL MG1 4.870 . 5.370 2.347 2.253 2.453 . 0 0 "[ . 1 . 2]" 1
114 1 18 PHE H 1 18 PHE HB2 4.200 . 4.700 2.694 2.609 2.845 . 0 0 "[ . 1 . 2]" 1
115 1 18 PHE H 1 18 PHE HB3 4.200 . 4.700 3.790 3.738 3.869 . 0 0 "[ . 1 . 2]" 1
116 1 18 PHE H 1 18 PHE QD 4.370 . 4.870 2.656 2.562 2.821 . 0 0 "[ . 1 . 2]" 1
117 1 18 PHE H 1 85 ARG H 4.170 . 4.670 2.799 2.707 2.903 . 0 0 "[ . 1 . 2]" 1
118 1 18 PHE H 1 86 VAL HA 4.470 . 4.970 3.715 3.621 3.835 . 0 0 "[ . 1 . 2]" 1
119 1 18 PHE HA 1 19 GLY H 3.520 . 4.020 2.296 2.220 2.392 . 0 0 "[ . 1 . 2]" 1
120 1 18 PHE HA 1 20 LEU H 4.470 . 4.970 3.481 3.390 3.575 . 0 0 "[ . 1 . 2]" 1
121 1 18 PHE HA 1 56 PHE HA 4.010 . 4.510 2.640 2.478 2.727 . 0 0 "[ . 1 . 2]" 1
122 1 18 PHE HA 1 56 PHE HB2 4.070 . 4.570 2.709 2.493 2.975 . 0 0 "[ . 1 . 2]" 1
123 1 18 PHE HA 1 56 PHE HB3 4.070 . 4.570 2.471 2.314 2.562 . 0 0 "[ . 1 . 2]" 1
124 1 18 PHE HA 1 57 ALA H 4.770 . 5.270 3.676 3.594 3.782 . 0 0 "[ . 1 . 2]" 1
125 1 18 PHE QB 1 19 GLY H 4.110 . 4.610 2.742 2.527 2.920 . 0 0 "[ . 1 . 2]" 1
126 1 18 PHE QB 1 85 ARG H 5.250 . 5.750 3.375 3.280 3.522 . 0 0 "[ . 1 . 2]" 1
127 1 18 PHE QB 1 85 ARG QB 4.380 . 4.880 2.344 2.185 2.781 . 0 0 "[ . 1 . 2]" 1
128 1 18 PHE HB2 1 19 GLY H 4.500 . 5.000 3.779 3.508 3.968 . 0 0 "[ . 1 . 2]" 1
129 1 18 PHE HB3 1 19 GLY H 4.500 . 5.000 2.816 2.583 3.006 . 0 0 "[ . 1 . 2]" 1
130 1 18 PHE QD 1 19 GLY H 5.500 . 6.000 4.205 4.102 4.289 . 0 0 "[ . 1 . 2]" 1
131 1 18 PHE QD 1 56 PHE HB2 4.420 . 4.920 2.517 2.431 2.646 . 0 0 "[ . 1 . 2]" 1
132 1 18 PHE QD 1 56 PHE HB3 4.420 . 4.920 2.587 2.435 2.731 . 0 0 "[ . 1 . 2]" 1
133 1 18 PHE QD 1 56 PHE QD 5.760 . 6.260 3.430 3.141 3.686 . 0 0 "[ . 1 . 2]" 1
134 1 18 PHE QD 1 85 ARG QB 5.430 . 5.930 3.117 2.689 3.633 . 0 0 "[ . 1 . 2]" 1
135 1 18 PHE QD 1 85 ARG QG 6.730 . 7.230 3.958 3.070 5.300 . 0 0 "[ . 1 . 2]" 1
136 1 18 PHE QD 1 86 VAL HA 5.330 . 5.830 3.379 3.233 3.579 . 0 0 "[ . 1 . 2]" 1
137 1 18 PHE QD 1 87 ASP H 5.470 . 5.970 4.084 3.926 4.254 . 0 0 "[ . 1 . 2]" 1
138 1 18 PHE QE 1 56 PHE QB 5.750 . 6.250 3.401 3.238 3.533 . 0 0 "[ . 1 . 2]" 1
139 1 18 PHE QE 1 87 ASP H 5.340 . 5.840 3.413 3.238 3.674 . 0 0 "[ . 1 . 2]" 1
140 1 18 PHE QE 1 87 ASP HB2 5.050 . 5.550 4.112 2.745 4.504 . 0 0 "[ . 1 . 2]" 1
141 1 18 PHE QE 1 87 ASP HB3 5.050 . 5.550 3.445 2.724 4.506 . 0 0 "[ . 1 . 2]" 1
142 1 19 GLY H 1 20 LEU H 3.630 . 4.130 2.404 2.270 2.547 . 0 0 "[ . 1 . 2]" 1
143 1 19 GLY H 1 56 PHE HA 4.890 . 5.390 3.762 3.570 3.995 . 0 0 "[ . 1 . 2]" 1
144 1 19 GLY QA 1 20 LEU MD2 6.710 . 7.210 4.673 4.427 4.918 . 0 0 "[ . 1 . 2]" 1
145 1 20 LEU H 1 20 LEU HB2 3.620 . 4.120 2.361 2.293 2.427 . 0 0 "[ . 1 . 2]" 1
146 1 20 LEU H 1 20 LEU MD1 4.840 . 5.340 3.627 3.492 3.705 . 0 0 "[ . 1 . 2]" 1
147 1 20 LEU H 1 20 LEU MD2 4.600 . 5.100 3.655 3.435 3.818 . 0 0 "[ . 1 . 2]" 1
148 1 20 LEU H 1 20 LEU HG 3.340 . 3.840 2.547 2.426 2.640 . 0 0 "[ . 1 . 2]" 1
149 1 20 LEU H 1 55 GLY QA 4.610 . 5.110 3.230 3.095 3.336 . 0 0 "[ . 1 . 2]" 1
150 1 20 LEU H 1 56 PHE HA 5.170 . 5.670 3.509 3.309 3.667 . 0 0 "[ . 1 . 2]" 1
151 1 20 LEU HA 1 20 LEU MD2 3.860 . 4.360 2.115 2.094 2.143 . 0 0 "[ . 1 . 2]" 1
152 1 20 LEU HA 1 21 SER H 3.330 . 3.830 2.398 2.247 2.534 . 0 0 "[ . 1 . 2]" 1
153 1 20 LEU HB2 1 21 SER H 4.660 . 5.160 3.608 3.382 3.849 . 0 0 "[ . 1 . 2]" 1
154 1 20 LEU HB2 1 24 THR HB 4.580 . 5.080 4.200 3.830 4.412 . 0 0 "[ . 1 . 2]" 1
155 1 20 LEU HB2 1 55 GLY HA2 4.520 . 5.020 2.862 2.419 3.076 . 0 0 "[ . 1 . 2]" 1
156 1 20 LEU HB2 1 55 GLY QA 4.410 . 4.910 2.809 2.392 3.011 . 0 0 "[ . 1 . 2]" 1
157 1 20 LEU HB2 1 55 GLY HA3 4.520 . 5.020 4.093 3.781 4.279 . 0 0 "[ . 1 . 2]" 1
158 1 20 LEU HB3 1 21 SER H 4.130 . 4.630 2.349 2.182 2.638 . 0 0 "[ . 1 . 2]" 1
159 1 20 LEU HB3 1 24 THR HB 4.030 . 4.530 2.934 2.684 3.227 . 0 0 "[ . 1 . 2]" 1
160 1 20 LEU MD1 1 24 THR HB 5.090 . 5.590 3.478 3.236 3.656 . 0 0 "[ . 1 . 2]" 1
161 1 20 LEU MD1 1 24 THR MG 5.220 . 5.720 2.457 2.336 2.689 . 0 0 "[ . 1 . 2]" 1
162 1 20 LEU MD1 1 55 GLY QA 6.650 . 7.150 4.172 3.843 4.421 . 0 0 "[ . 1 . 2]" 1
163 1 20 LEU MD1 1 56 PHE H 5.500 . 6.000 3.847 3.514 4.035 . 0 0 "[ . 1 . 2]" 1
164 1 20 LEU MD1 1 56 PHE HA 4.530 . 5.030 2.420 2.332 2.515 . 0 0 "[ . 1 . 2]" 1
165 1 20 LEU MD1 1 56 PHE QB 7.130 . 7.630 3.961 3.902 4.052 . 0 0 "[ . 1 . 2]" 1
166 1 20 LEU MD1 1 57 ALA H 4.940 . 5.440 3.071 2.968 3.286 . 0 0 "[ . 1 . 2]" 1
167 1 20 LEU MD1 1 57 ALA MB 4.170 . 4.670 2.050 1.978 2.137 . 0 0 "[ . 1 . 2]" 1
168 1 20 LEU MD2 1 21 SER H 4.880 . 5.380 3.214 3.109 3.378 . 0 0 "[ . 1 . 2]" 1
169 1 20 LEU MD2 1 24 THR HB 5.970 . 6.470 3.928 3.839 4.069 . 0 0 "[ . 1 . 2]" 1
170 1 20 LEU HG 1 56 PHE HA 4.400 . 4.900 3.228 2.809 3.504 . 0 0 "[ . 1 . 2]" 1
171 1 21 SER H 1 23 TYR H 100.000 5.000 100.500 4.965 4.945 4.994 0.055 6 0 "[ . 1 . 2]" 1
172 1 21 SER H 1 82 ARG QG 4.980 . 5.480 3.317 3.032 3.720 . 0 0 "[ . 1 . 2]" 1
173 1 21 SER HA 1 23 TYR H 4.230 . 4.730 3.897 3.802 4.002 . 0 0 "[ . 1 . 2]" 1
174 1 21 SER HA 1 82 ARG QG 4.400 . 4.900 2.549 2.270 3.250 . 0 0 "[ . 1 . 2]" 1
175 1 21 SER QB 1 22 LEU H 4.700 . 5.200 3.446 3.251 3.667 . 0 0 "[ . 1 . 2]" 1
176 1 21 SER QB 1 23 TYR H 4.470 . 4.970 2.968 2.711 3.314 . 0 0 "[ . 1 . 2]" 1
177 1 21 SER QB 1 24 THR H 4.320 . 4.820 2.722 2.357 3.332 . 0 0 "[ . 1 . 2]" 1
178 1 21 SER QB 1 80 ASP HB2 4.410 . 4.910 3.347 3.170 3.624 . 0 0 "[ . 1 . 2]" 1
179 1 21 SER QB 1 80 ASP QB 4.320 . 4.820 2.224 2.128 2.489 . 0 0 "[ . 1 . 2]" 1
180 1 21 SER QB 1 80 ASP HB3 4.410 . 4.910 2.259 2.163 2.535 . 0 0 "[ . 1 . 2]" 1
181 1 21 SER QB 1 82 ARG QD 5.250 . 5.750 3.882 3.509 4.180 . 0 0 "[ . 1 . 2]" 1
182 1 21 SER QB 1 82 ARG HG2 4.650 . 5.150 2.586 2.292 3.365 . 0 0 "[ . 1 . 2]" 1
183 1 21 SER QB 1 82 ARG QG 4.570 . 5.070 2.176 2.104 2.314 . 0 0 "[ . 1 . 2]" 1
184 1 21 SER QB 1 82 ARG HG3 4.650 . 5.150 2.442 2.207 2.758 . 0 0 "[ . 1 . 2]" 1
185 1 22 LEU H 1 22 LEU MD1 5.500 . 6.000 3.541 2.452 3.780 . 0 0 "[ . 1 . 2]" 1
186 1 22 LEU H 1 22 LEU MD2 5.500 . 6.000 3.331 3.001 3.986 . 0 0 "[ . 1 . 2]" 1
187 1 22 LEU H 1 22 LEU HG 4.150 . 4.650 2.572 2.184 4.089 . 0 0 "[ . 1 . 2]" 1
188 1 22 LEU H 1 23 TYR H 4.020 . 4.520 2.537 2.429 2.694 . 0 0 "[ . 1 . 2]" 1
189 1 22 LEU HA 1 22 LEU QD 4.080 . 4.580 2.232 2.145 2.593 . 0 0 "[ . 1 . 2]" 1
190 1 22 LEU HA 1 22 LEU HG 4.050 . 4.550 3.169 2.453 3.364 . 0 0 "[ . 1 . 2]" 1
191 1 22 LEU HA 1 53 SER QB 4.560 . 5.060 2.258 2.095 2.676 . 0 0 "[ . 1 . 2]" 1
192 1 22 LEU QB 1 23 TYR H 4.460 . 4.960 3.079 2.862 3.369 . 0 0 "[ . 1 . 2]" 1
193 1 22 LEU QB 1 23 TYR QD 5.630 . 6.130 3.783 3.336 4.038 . 0 0 "[ . 1 . 2]" 1
194 1 22 LEU QB 1 23 TYR QE 5.630 . 6.130 3.905 3.418 4.205 . 0 0 "[ . 1 . 2]" 1
195 1 22 LEU QB 1 53 SER QB 5.710 . 6.210 3.377 2.446 3.906 . 0 0 "[ . 1 . 2]" 1
196 1 22 LEU QD 1 53 SER QB 6.750 . 7.250 2.450 2.135 3.641 . 0 0 "[ . 1 . 2]" 1
197 1 22 LEU QD 1 54 ARG HA 5.770 . 6.270 3.949 3.282 4.277 . 0 0 "[ . 1 . 2]" 1
198 1 22 LEU QD 1 55 GLY H 5.820 . 6.320 3.395 2.658 3.728 . 0 0 "[ . 1 . 2]" 1
199 1 22 LEU QD 1 55 GLY QA 5.040 . 5.540 3.115 2.229 3.345 . 0 0 "[ . 1 . 2]" 1
200 1 23 TYR H 1 23 TYR HB2 3.720 . 4.220 2.474 2.430 2.508 . 0 0 "[ . 1 . 2]" 1
201 1 23 TYR H 1 23 TYR QB 3.600 . 4.100 2.434 2.393 2.465 . 0 0 "[ . 1 . 2]" 1
202 1 23 TYR H 1 23 TYR HB3 3.720 . 4.220 3.623 3.599 3.658 . 0 0 "[ . 1 . 2]" 1
203 1 23 TYR H 1 23 TYR QD 4.460 . 4.960 2.654 2.569 2.817 . 0 0 "[ . 1 . 2]" 1
204 1 23 TYR H 1 24 THR H 3.070 . 3.570 2.574 2.456 2.639 . 0 0 "[ . 1 . 2]" 1
205 1 23 TYR HA 1 23 TYR QD 4.020 . 4.520 2.680 2.546 2.786 . 0 0 "[ . 1 . 2]" 1
206 1 23 TYR QB 1 24 THR H 4.440 . 4.940 3.451 3.371 3.533 . 0 0 "[ . 1 . 2]" 1
207 1 23 TYR HB2 1 24 THR H 4.610 . 5.110 3.617 3.526 3.710 . 0 0 "[ . 1 . 2]" 1
208 1 23 TYR HB3 1 24 THR H 4.610 . 5.110 4.363 4.285 4.439 . 0 0 "[ . 1 . 2]" 1
209 1 24 THR H 1 24 THR HB 3.040 . 3.540 2.563 2.486 2.709 . 0 0 "[ . 1 . 2]" 1
210 1 24 THR HA 1 25 THR H 3.120 . 3.620 2.199 2.168 2.252 . 0 0 "[ . 1 . 2]" 1
211 1 24 THR HA 1 25 THR MG 4.940 . 5.440 3.710 3.539 3.788 . 0 0 "[ . 1 . 2]" 1
212 1 24 THR HA 1 28 ASP QB 4.870 . 5.370 3.322 2.834 3.753 . 0 0 "[ . 1 . 2]" 1
213 1 24 THR HB 1 79 LEU MD2 6.270 . 6.770 4.960 4.588 5.224 . 0 0 "[ . 1 . 2]" 1
214 1 24 THR MG 1 25 THR H 4.320 . 4.820 2.499 2.286 2.697 . 0 0 "[ . 1 . 2]" 1
215 1 24 THR MG 1 28 ASP H 5.330 . 5.830 4.261 4.111 4.450 . 0 0 "[ . 1 . 2]" 1
216 1 24 THR MG 1 28 ASP HB2 4.380 . 4.880 2.592 2.294 3.683 . 0 0 "[ . 1 . 2]" 1
217 1 24 THR MG 1 28 ASP QB 4.270 . 4.770 2.396 2.242 2.639 . 0 0 "[ . 1 . 2]" 1
218 1 24 THR MG 1 28 ASP HB3 4.380 . 4.880 3.232 2.328 3.566 . 0 0 "[ . 1 . 2]" 1
219 1 24 THR MG 1 29 LEU H 5.080 . 5.580 3.373 3.179 3.538 . 0 0 "[ . 1 . 2]" 1
220 1 24 THR MG 1 29 LEU HB2 5.600 . 6.100 4.228 3.972 4.484 . 0 0 "[ . 1 . 2]" 1
221 1 24 THR MG 1 29 LEU MD1 4.870 . 5.370 2.784 2.574 3.002 . 0 0 "[ . 1 . 2]" 1
222 1 24 THR MG 1 29 LEU MD2 4.640 . 5.140 2.520 2.386 2.667 . 0 0 "[ . 1 . 2]" 1
223 1 24 THR MG 1 29 LEU HG 4.240 . 4.740 2.295 2.146 2.530 . 0 0 "[ . 1 . 2]" 1
224 1 24 THR MG 1 79 LEU MD2 4.310 . 4.810 2.669 2.330 2.961 . 0 0 "[ . 1 . 2]" 1
225 1 25 THR H 1 25 THR MG 4.130 . 4.630 2.852 2.778 2.959 . 0 0 "[ . 1 . 2]" 1
226 1 25 THR H 1 28 ASP H 4.280 . 4.780 3.258 3.098 3.426 . 0 0 "[ . 1 . 2]" 1
227 1 25 THR H 1 28 ASP HB2 4.200 . 4.700 2.477 2.038 2.872 . 0 0 "[ . 1 . 2]" 1
228 1 25 THR H 1 28 ASP QB 4.010 . 4.510 2.381 1.786 2.826 0.014 15 0 "[ . 1 . 2]" 1
229 1 25 THR H 1 28 ASP HB3 4.200 . 4.700 3.703 1.830 4.201 . 0 0 "[ . 1 . 2]" 1
230 1 25 THR HA 1 26 GLU H 3.320 . 3.820 2.376 2.327 2.432 . 0 0 "[ . 1 . 2]" 1
231 1 25 THR HA 1 44 ILE MD 4.230 . 4.730 2.218 2.096 2.332 . 0 0 "[ . 1 . 2]" 1
232 1 25 THR HG1 1 27 ARG H 4.290 . 4.790 3.361 2.924 3.632 . 0 0 "[ . 1 . 2]" 1
233 1 25 THR HG1 1 28 ASP H 4.250 . 4.750 2.503 2.248 2.655 . 0 0 "[ . 1 . 2]" 1
234 1 25 THR MG 1 26 GLU H 4.820 . 5.320 3.835 3.757 3.888 . 0 0 "[ . 1 . 2]" 1
235 1 25 THR MG 1 27 ARG H 5.400 . 5.900 4.085 3.947 4.214 . 0 0 "[ . 1 . 2]" 1
236 1 25 THR MG 1 28 ASP H 5.340 . 5.840 4.233 3.892 4.468 . 0 0 "[ . 1 . 2]" 1
237 1 26 GLU H 1 26 GLU HB2 3.900 . 4.400 2.525 2.371 2.734 . 0 0 "[ . 1 . 2]" 1
238 1 26 GLU H 1 26 GLU HB3 3.900 . 4.400 3.596 3.571 3.611 . 0 0 "[ . 1 . 2]" 1
239 1 26 GLU H 1 26 GLU HG2 4.720 . 5.220 3.806 3.606 3.901 . 0 0 "[ . 1 . 2]" 1
240 1 26 GLU H 1 26 GLU QG 4.440 . 4.940 2.811 2.273 3.097 . 0 0 "[ . 1 . 2]" 1
241 1 26 GLU H 1 26 GLU HG3 4.720 . 5.220 2.907 2.297 3.249 . 0 0 "[ . 1 . 2]" 1
242 1 26 GLU H 1 27 ARG H 3.950 . 4.450 2.784 2.647 2.875 . 0 0 "[ . 1 . 2]" 1
243 1 26 GLU H 1 44 ILE MD 4.680 . 5.180 2.629 2.497 2.814 . 0 0 "[ . 1 . 2]" 1
244 1 26 GLU HA 1 26 GLU HG2 4.060 . 4.560 3.335 2.390 3.655 . 0 0 "[ . 1 . 2]" 1
245 1 26 GLU HA 1 26 GLU HG3 4.060 . 4.560 2.510 2.328 2.884 . 0 0 "[ . 1 . 2]" 1
246 1 26 GLU HA 1 29 LEU H 4.280 . 4.780 3.309 3.007 3.603 . 0 0 "[ . 1 . 2]" 1
247 1 26 GLU HA 1 29 LEU HB2 3.720 . 4.220 2.410 2.214 2.669 . 0 0 "[ . 1 . 2]" 1
248 1 26 GLU HA 1 29 LEU HB3 4.530 . 5.030 4.040 3.885 4.242 . 0 0 "[ . 1 . 2]" 1
249 1 26 GLU HA 1 29 LEU MD1 4.780 . 5.280 2.551 2.308 2.933 . 0 0 "[ . 1 . 2]" 1
250 1 26 GLU HA 1 29 LEU HG 4.810 . 5.310 3.637 3.297 4.097 . 0 0 "[ . 1 . 2]" 1
251 1 26 GLU HA 1 30 ARG H 4.940 . 5.440 3.735 3.491 3.974 . 0 0 "[ . 1 . 2]" 1
252 1 26 GLU HA 1 42 VAL MG1 4.160 . 4.660 2.494 2.191 3.037 . 0 0 "[ . 1 . 2]" 1
253 1 26 GLU HA 1 44 ILE MD 4.260 . 4.760 3.087 2.757 3.346 . 0 0 "[ . 1 . 2]" 1
254 1 26 GLU HA 1 44 ILE QG 4.950 . 5.450 3.497 3.110 3.755 . 0 0 "[ . 1 . 2]" 1
255 1 26 GLU QB 1 27 ARG H 4.320 . 4.820 3.106 2.902 3.342 . 0 0 "[ . 1 . 2]" 1
256 1 26 GLU QB 1 42 VAL MG1 5.030 . 5.530 2.777 2.495 3.239 . 0 0 "[ . 1 . 2]" 1
257 1 26 GLU QB 1 44 ILE MD 5.940 . 6.440 3.997 3.761 4.161 . 0 0 "[ . 1 . 2]" 1
258 1 26 GLU HB2 1 42 VAL MG1 5.390 . 5.890 4.086 3.848 4.488 . 0 0 "[ . 1 . 2]" 1
259 1 26 GLU HB3 1 42 VAL MG1 5.390 . 5.890 2.826 2.526 3.323 . 0 0 "[ . 1 . 2]" 1
260 1 26 GLU QG 1 42 VAL HB 4.710 . 5.210 3.288 2.977 3.830 . 0 0 "[ . 1 . 2]" 1
261 1 26 GLU QG 1 42 VAL MG1 4.640 . 5.140 2.267 2.095 3.044 . 0 0 "[ . 1 . 2]" 1
262 1 26 GLU QG 1 43 SER HA 5.190 . 5.690 2.652 2.168 3.834 . 0 0 "[ . 1 . 2]" 1
263 1 26 GLU QG 1 44 ILE H 4.660 . 5.160 2.825 2.467 3.983 . 0 0 "[ . 1 . 2]" 1
264 1 26 GLU QG 1 44 ILE HB 5.040 . 5.540 3.469 2.737 3.941 . 0 0 "[ . 1 . 2]" 1
265 1 26 GLU QG 1 44 ILE MD 4.690 . 5.190 2.815 2.322 3.058 . 0 0 "[ . 1 . 2]" 1
266 1 26 GLU QG 1 44 ILE QG 4.670 . 5.170 2.286 2.115 2.657 . 0 0 "[ . 1 . 2]" 1
267 1 26 GLU HG2 1 42 VAL HB 4.830 . 5.330 3.494 3.109 4.123 . 0 0 "[ . 1 . 2]" 1
268 1 26 GLU HG2 1 42 VAL MG1 4.730 . 5.230 2.782 2.177 3.590 . 0 0 "[ . 1 . 2]" 1
269 1 26 GLU HG2 1 44 ILE H 4.730 . 5.230 3.263 2.614 4.733 . 0 0 "[ . 1 . 2]" 1
270 1 26 GLU HG2 1 44 ILE MD 5.140 . 5.640 4.085 3.088 4.307 . 0 0 "[ . 1 . 2]" 1
271 1 26 GLU HG3 1 42 VAL HB 4.830 . 5.330 4.140 3.413 4.865 . 0 0 "[ . 1 . 2]" 1
272 1 26 GLU HG3 1 42 VAL MG1 4.730 . 5.230 2.654 2.169 3.721 . 0 0 "[ . 1 . 2]" 1
273 1 26 GLU HG3 1 44 ILE H 4.730 . 5.230 3.121 2.786 4.285 . 0 0 "[ . 1 . 2]" 1
274 1 26 GLU HG3 1 44 ILE MD 5.140 . 5.640 2.870 2.401 3.130 . 0 0 "[ . 1 . 2]" 1
275 1 27 ARG H 1 27 ARG HB2 3.890 . 4.390 2.534 2.420 2.646 . 0 0 "[ . 1 . 2]" 1
276 1 27 ARG H 1 27 ARG QB 3.510 . 4.010 2.418 2.115 2.584 . 0 0 "[ . 1 . 2]" 1
277 1 27 ARG H 1 27 ARG HB3 3.890 . 4.390 3.329 2.239 3.681 . 0 0 "[ . 1 . 2]" 1
278 1 27 ARG H 1 27 ARG HG2 4.710 . 5.210 3.752 3.286 4.450 . 0 0 "[ . 1 . 2]" 1
279 1 27 ARG H 1 27 ARG QG 4.400 . 4.900 2.710 2.024 3.982 . 0 0 "[ . 1 . 2]" 1
280 1 27 ARG H 1 27 ARG HG3 4.710 . 5.210 2.863 2.041 4.541 . 0 0 "[ . 1 . 2]" 1
281 1 27 ARG H 1 28 ASP H 3.630 . 4.130 2.527 2.200 2.656 . 0 0 "[ . 1 . 2]" 1
282 1 27 ARG HA 1 27 ARG HG2 3.980 . 4.480 2.682 2.467 3.082 . 0 0 "[ . 1 . 2]" 1
283 1 27 ARG HA 1 27 ARG HG3 3.980 . 4.480 3.088 2.472 3.690 . 0 0 "[ . 1 . 2]" 1
284 1 27 ARG HA 1 30 ARG H 4.010 . 4.510 3.609 3.264 3.977 . 0 0 "[ . 1 . 2]" 1
285 1 27 ARG HA 1 30 ARG QB 4.430 . 4.930 2.848 2.256 3.967 . 0 0 "[ . 1 . 2]" 1
286 1 27 ARG HA 1 30 ARG QD 5.350 . 5.850 3.235 2.364 4.309 . 0 0 "[ . 1 . 2]" 1
287 1 27 ARG QB 1 28 ASP H 3.870 . 4.370 2.617 2.417 2.971 . 0 0 "[ . 1 . 2]" 1
288 1 27 ARG HB2 1 28 ASP H 3.950 . 4.450 2.989 2.451 3.928 . 0 0 "[ . 1 . 2]" 1
289 1 27 ARG HB3 1 28 ASP H 3.950 . 4.450 3.477 2.515 3.959 . 0 0 "[ . 1 . 2]" 1
290 1 28 ASP H 1 28 ASP HB2 3.740 . 4.240 2.548 2.377 2.621 . 0 0 "[ . 1 . 2]" 1
291 1 28 ASP H 1 28 ASP QB 3.570 . 4.070 2.485 2.199 2.564 . 0 0 "[ . 1 . 2]" 1
292 1 28 ASP H 1 28 ASP HB3 3.740 . 4.240 3.532 2.572 3.673 . 0 0 "[ . 1 . 2]" 1
293 1 28 ASP H 1 29 LEU H 3.480 . 3.980 2.658 2.461 2.745 . 0 0 "[ . 1 . 2]" 1
294 1 28 ASP HA 1 31 GLU H 4.150 . 4.650 3.524 3.302 3.756 . 0 0 "[ . 1 . 2]" 1
295 1 28 ASP HA 1 31 GLU HB2 4.090 . 4.590 3.415 2.502 4.034 . 0 0 "[ . 1 . 2]" 1
296 1 28 ASP HA 1 31 GLU QB 3.810 . 4.310 2.659 2.481 2.949 . 0 0 "[ . 1 . 2]" 1
297 1 28 ASP HA 1 31 GLU HB3 4.090 . 4.590 3.110 2.588 4.142 . 0 0 "[ . 1 . 2]" 1
298 1 28 ASP QB 1 29 LEU H 3.830 . 4.330 2.426 2.370 2.536 . 0 0 "[ . 1 . 2]" 1
299 1 28 ASP HB2 1 29 LEU H 4.000 . 4.500 2.597 2.406 3.715 . 0 0 "[ . 1 . 2]" 1
300 1 28 ASP HB3 1 29 LEU H 4.000 . 4.500 3.469 2.406 3.759 . 0 0 "[ . 1 . 2]" 1
301 1 29 LEU H 1 29 LEU HB2 3.390 . 3.890 2.382 2.290 2.487 . 0 0 "[ . 1 . 2]" 1
302 1 29 LEU H 1 29 LEU HB3 3.750 . 4.250 3.590 3.565 3.615 . 0 0 "[ . 1 . 2]" 1
303 1 29 LEU H 1 29 LEU MD1 5.010 . 5.510 3.580 3.489 3.698 . 0 0 "[ . 1 . 2]" 1
304 1 29 LEU H 1 29 LEU MD2 5.060 . 5.560 3.544 3.286 3.691 . 0 0 "[ . 1 . 2]" 1
305 1 29 LEU H 1 29 LEU HG 3.420 . 3.920 2.381 2.297 2.483 . 0 0 "[ . 1 . 2]" 1
306 1 29 LEU H 1 30 ARG H 3.620 . 4.120 2.946 2.887 3.034 . 0 0 "[ . 1 . 2]" 1
307 1 29 LEU H 1 42 VAL MG1 5.820 . 6.320 4.186 4.029 4.410 . 0 0 "[ . 1 . 2]" 1
308 1 29 LEU HA 1 29 LEU MD2 3.770 . 4.270 2.120 2.103 2.146 . 0 0 "[ . 1 . 2]" 1
309 1 29 LEU HA 1 29 LEU HG 4.020 . 4.520 3.018 2.911 3.192 . 0 0 "[ . 1 . 2]" 1
310 1 29 LEU HA 1 32 VAL H 4.110 . 4.610 3.453 3.272 3.568 . 0 0 "[ . 1 . 2]" 1
311 1 29 LEU HA 1 32 VAL HB 3.930 . 4.430 2.826 2.598 3.015 . 0 0 "[ . 1 . 2]" 1
312 1 29 LEU HA 1 32 VAL MG1 6.200 . 6.700 4.195 3.927 4.450 . 0 0 "[ . 1 . 2]" 1
313 1 29 LEU HA 1 32 VAL MG2 4.530 . 5.030 3.730 3.547 3.797 . 0 0 "[ . 1 . 2]" 1
314 1 29 LEU HA 1 33 PHE H 4.600 . 5.100 3.784 3.661 3.905 . 0 0 "[ . 1 . 2]" 1
315 1 29 LEU HA 1 33 PHE QD 5.040 . 5.540 2.698 2.474 2.909 . 0 0 "[ . 1 . 2]" 1
316 1 29 LEU HB2 1 30 ARG H 3.410 . 3.910 2.614 2.531 2.737 . 0 0 "[ . 1 . 2]" 1
317 1 29 LEU HB2 1 42 VAL MG1 4.460 . 4.960 2.147 2.091 2.210 . 0 0 "[ . 1 . 2]" 1
318 1 29 LEU HB2 1 44 ILE MD 5.730 . 6.230 4.049 3.733 4.241 . 0 0 "[ . 1 . 2]" 1
319 1 29 LEU HB2 1 59 VAL MG2 5.380 . 5.880 3.910 3.701 4.125 . 0 0 "[ . 1 . 2]" 1
320 1 29 LEU HB3 1 30 ARG H 4.050 . 4.550 3.470 3.252 3.604 . 0 0 "[ . 1 . 2]" 1
321 1 29 LEU HB3 1 33 PHE QD 4.960 . 5.460 3.677 3.218 4.046 . 0 0 "[ . 1 . 2]" 1
322 1 29 LEU HB3 1 42 VAL MG1 4.520 . 5.020 2.514 2.287 2.797 . 0 0 "[ . 1 . 2]" 1
323 1 29 LEU HB3 1 59 VAL MG2 4.960 . 5.460 2.712 2.536 2.979 . 0 0 "[ . 1 . 2]" 1
324 1 29 LEU MD1 1 42 VAL HB 6.400 . 6.900 4.493 4.106 4.827 . 0 0 "[ . 1 . 2]" 1
325 1 29 LEU MD1 1 59 VAL MG2 5.700 . 6.200 2.848 2.574 3.031 . 0 0 "[ . 1 . 2]" 1
326 1 29 LEU MD2 1 33 PHE QD 5.450 . 5.950 3.122 2.882 3.359 . 0 0 "[ . 1 . 2]" 1
327 1 29 LEU MD2 1 33 PHE QE 4.730 . 5.230 2.515 2.367 2.645 . 0 0 "[ . 1 . 2]" 1
328 1 29 LEU MD2 1 59 VAL MG2 5.470 . 5.970 3.041 2.760 3.286 . 0 0 "[ . 1 . 2]" 1
329 1 29 LEU HG 1 44 ILE MD 5.260 . 5.760 3.108 2.685 3.319 . 0 0 "[ . 1 . 2]" 1
330 1 30 ARG H 1 30 ARG HG2 4.440 . 4.940 3.658 2.518 4.496 . 0 0 "[ . 1 . 2]" 1
331 1 30 ARG H 1 30 ARG QG 4.090 . 4.590 2.642 2.319 3.758 . 0 0 "[ . 1 . 2]" 1
332 1 30 ARG H 1 30 ARG HG3 4.440 . 4.940 2.898 2.344 4.063 . 0 0 "[ . 1 . 2]" 1
333 1 30 ARG H 1 31 GLU H 3.530 . 4.030 2.920 2.830 3.004 . 0 0 "[ . 1 . 2]" 1
334 1 30 ARG H 1 42 VAL MG1 5.500 . 6.000 3.436 2.993 3.823 . 0 0 "[ . 1 . 2]" 1
335 1 30 ARG H 1 42 VAL MG2 4.950 . 5.450 3.298 2.671 3.632 . 0 0 "[ . 1 . 2]" 1
336 1 30 ARG HA 1 30 ARG HG2 3.980 . 4.480 2.678 2.342 3.792 . 0 0 "[ . 1 . 2]" 1
337 1 30 ARG HA 1 30 ARG HG3 3.980 . 4.480 2.923 2.260 3.772 . 0 0 "[ . 1 . 2]" 1
338 1 30 ARG HA 1 32 VAL H 100.000 4.500 100.500 4.588 4.495 4.806 0.005 18 0 "[ . 1 . 2]" 1
339 1 30 ARG HA 1 33 PHE H 4.600 . 5.100 3.741 3.538 3.976 . 0 0 "[ . 1 . 2]" 1
340 1 30 ARG HA 1 33 PHE HB2 4.610 . 5.110 3.533 3.288 3.754 . 0 0 "[ . 1 . 2]" 1
341 1 30 ARG HA 1 34 SER H 4.110 . 4.610 3.722 3.239 4.124 . 0 0 "[ . 1 . 2]" 1
342 1 30 ARG HA 1 39 ILE MD 4.500 . 5.000 2.659 2.399 2.742 . 0 0 "[ . 1 . 2]" 1
343 1 30 ARG HA 1 39 ILE QG 5.440 . 5.940 4.817 4.548 4.867 . 0 0 "[ . 1 . 2]" 1
344 1 30 ARG HA 1 39 ILE MG 5.160 . 5.660 3.435 3.139 3.805 . 0 0 "[ . 1 . 2]" 1
345 1 30 ARG HA 1 42 VAL MG2 4.410 . 4.910 3.011 2.660 3.481 . 0 0 "[ . 1 . 2]" 1
346 1 30 ARG QB 1 34 SER H 6.060 . 6.560 4.790 4.473 5.228 . 0 0 "[ . 1 . 2]" 1
347 1 30 ARG QB 1 39 ILE MD 5.770 . 6.270 3.857 3.236 4.209 . 0 0 "[ . 1 . 2]" 1
348 1 30 ARG QB 1 39 ILE MG 5.890 . 6.390 4.020 3.001 4.379 . 0 0 "[ . 1 . 2]" 1
349 1 30 ARG QB 1 42 VAL MG2 5.460 . 5.960 3.438 2.254 3.964 . 0 0 "[ . 1 . 2]" 1
350 1 30 ARG QG 1 42 VAL MG1 7.200 . 7.700 3.628 2.841 4.782 . 0 0 "[ . 1 . 2]" 1
351 1 30 ARG QG 1 42 VAL MG2 6.270 . 6.770 2.430 2.017 4.195 . 0 0 "[ . 1 . 2]" 1
352 1 30 ARG HG2 1 42 VAL MG2 6.610 . 7.110 2.982 2.236 4.523 . 0 0 "[ . 1 . 2]" 1
353 1 30 ARG HG3 1 42 VAL MG2 6.610 . 7.110 2.651 2.168 4.966 . 0 0 "[ . 1 . 2]" 1
354 1 31 GLU H 1 31 GLU HB2 3.720 . 4.220 2.402 2.229 2.509 . 0 0 "[ . 1 . 2]" 1
355 1 31 GLU H 1 31 GLU QB 3.310 . 3.810 2.238 2.204 2.332 . 0 0 "[ . 1 . 2]" 1
356 1 31 GLU H 1 31 GLU HB3 3.720 . 4.220 2.822 2.484 3.591 . 0 0 "[ . 1 . 2]" 1
357 1 31 GLU H 1 31 GLU HG2 4.800 . 5.300 4.165 2.459 4.580 . 0 0 "[ . 1 . 2]" 1
358 1 31 GLU H 1 31 GLU QG 4.490 . 4.990 3.633 2.428 4.029 . 0 0 "[ . 1 . 2]" 1
359 1 31 GLU H 1 31 GLU HG3 4.800 . 5.300 4.148 2.629 4.469 . 0 0 "[ . 1 . 2]" 1
360 1 31 GLU H 1 32 VAL H 3.570 . 4.070 2.806 2.552 2.890 . 0 0 "[ . 1 . 2]" 1
361 1 31 GLU HA 1 31 GLU HG2 3.750 . 4.250 3.048 2.257 3.764 . 0 0 "[ . 1 . 2]" 1
362 1 31 GLU HA 1 31 GLU QG 3.690 . 4.190 2.448 2.195 2.952 . 0 0 "[ . 1 . 2]" 1
363 1 31 GLU HA 1 31 GLU HG3 3.750 . 4.250 2.712 2.434 3.728 . 0 0 "[ . 1 . 2]" 1
364 1 31 GLU HA 1 33 PHE H 100.000 4.500 100.500 4.629 4.493 4.756 0.007 5 0 "[ . 1 . 2]" 1
365 1 31 GLU HA 1 34 SER H 4.900 . 5.400 3.924 3.663 4.206 . 0 0 "[ . 1 . 2]" 1
366 1 31 GLU QB 1 32 VAL H 3.860 . 4.360 2.734 2.456 2.982 . 0 0 "[ . 1 . 2]" 1
367 1 31 GLU QB 1 32 VAL MG2 5.930 . 6.430 3.104 2.869 3.467 . 0 0 "[ . 1 . 2]" 1
368 1 31 GLU HB2 1 32 VAL H 4.140 . 4.640 3.720 2.822 4.020 . 0 0 "[ . 1 . 2]" 1
369 1 31 GLU HB3 1 32 VAL H 4.140 . 4.640 2.969 2.487 3.797 . 0 0 "[ . 1 . 2]" 1
370 1 32 VAL H 1 32 VAL HB 3.200 . 3.700 2.446 2.355 2.545 . 0 0 "[ . 1 . 2]" 1
371 1 32 VAL H 1 32 VAL MG2 3.790 . 4.290 2.335 2.245 2.496 . 0 0 "[ . 1 . 2]" 1
372 1 32 VAL H 1 33 PHE H 3.540 . 4.040 2.646 2.529 2.747 . 0 0 "[ . 1 . 2]" 1
373 1 32 VAL H 1 34 SER H 4.630 . 5.130 4.203 4.086 4.324 . 0 0 "[ . 1 . 2]" 1
374 1 32 VAL HA 1 34 SER H 100.000 4.500 100.500 4.647 4.484 4.867 0.016 4 0 "[ . 1 . 2]" 1
375 1 32 VAL HA 1 35 LYS H 4.830 . 5.330 4.775 4.520 4.860 . 0 0 "[ . 1 . 2]" 1
376 1 32 VAL HA 1 35 LYS QE 5.380 . 5.880 3.658 1.982 4.813 . 0 0 "[ . 1 . 2]" 1
377 1 32 VAL HB 1 33 PHE H 3.490 . 3.990 2.924 2.775 3.041 . 0 0 "[ . 1 . 2]" 1
378 1 32 VAL HB 1 33 PHE QD 4.330 . 4.830 2.563 2.460 2.761 . 0 0 "[ . 1 . 2]" 1
379 1 32 VAL HB 1 34 SER H 5.500 . 6.000 5.305 5.202 5.379 . 0 0 "[ . 1 . 2]" 1
380 1 32 VAL HB 1 79 LEU HB2 5.290 . 5.790 5.338 5.311 5.358 . 0 0 "[ . 1 . 2]" 1
381 1 32 VAL MG1 1 33 PHE H 4.940 . 5.440 3.552 3.192 3.697 . 0 0 "[ . 1 . 2]" 1
382 1 32 VAL MG1 1 33 PHE HA 4.960 . 5.460 3.573 3.162 3.742 . 0 0 "[ . 1 . 2]" 1
383 1 32 VAL MG1 1 33 PHE QD 5.890 . 6.390 2.989 2.762 3.136 . 0 0 "[ . 1 . 2]" 1
384 1 32 VAL MG1 1 36 TYR QE 5.540 . 6.040 3.665 3.002 3.921 . 0 0 "[ . 1 . 2]" 1
385 1 32 VAL MG1 1 74 ALA MB 6.350 . 6.850 3.986 2.739 4.342 . 0 0 "[ . 1 . 2]" 1
386 1 32 VAL MG1 1 77 MET ME 4.640 . 5.140 1.922 1.881 1.951 . 0 0 "[ . 1 . 2]" 1
387 1 32 VAL MG2 1 33 PHE H 4.850 . 5.350 4.082 4.061 4.114 . 0 0 "[ . 1 . 2]" 1
388 1 32 VAL MG2 1 77 MET ME 5.370 . 5.870 3.654 2.180 3.748 . 0 0 "[ . 1 . 2]" 1
389 1 32 VAL MG2 1 79 LEU MD2 4.640 . 5.140 2.621 2.225 3.028 . 0 0 "[ . 1 . 2]" 1
390 1 33 PHE H 1 33 PHE HB2 3.500 . 4.000 2.365 2.289 2.426 . 0 0 "[ . 1 . 2]" 1
391 1 33 PHE H 1 33 PHE HB3 3.860 . 4.360 3.603 3.553 3.643 . 0 0 "[ . 1 . 2]" 1
392 1 33 PHE H 1 33 PHE QD 4.420 . 4.920 2.554 2.443 2.750 . 0 0 "[ . 1 . 2]" 1
393 1 33 PHE H 1 39 ILE MD 5.380 . 5.880 3.836 3.694 3.925 . 0 0 "[ . 1 . 2]" 1
394 1 33 PHE HA 1 35 LYS H 4.260 . 4.760 3.710 3.373 3.820 . 0 0 "[ . 1 . 2]" 1
395 1 33 PHE HA 1 35 LYS QG 5.010 . 5.510 3.280 3.051 4.211 . 0 0 "[ . 1 . 2]" 1
396 1 33 PHE HA 1 36 TYR H 4.500 . 5.000 3.918 3.833 4.073 . 0 0 "[ . 1 . 2]" 1
397 1 33 PHE HA 1 36 TYR QD 3.680 . 4.180 2.474 2.300 2.731 . 0 0 "[ . 1 . 2]" 1
398 1 33 PHE HA 1 36 TYR QE 4.230 . 4.730 2.584 2.399 2.832 . 0 0 "[ . 1 . 2]" 1
399 1 33 PHE HB2 1 34 SER H 4.330 . 4.830 3.417 3.353 3.537 . 0 0 "[ . 1 . 2]" 1
400 1 33 PHE HB2 1 36 TYR QD 5.580 . 6.080 4.538 4.354 4.848 . 0 0 "[ . 1 . 2]" 1
401 1 33 PHE HB2 1 39 ILE MD 4.300 . 4.800 2.585 2.460 2.699 . 0 0 "[ . 1 . 2]" 1
402 1 33 PHE HB2 1 39 ILE MG 6.140 . 6.640 4.655 4.427 4.815 . 0 0 "[ . 1 . 2]" 1
403 1 33 PHE HB2 1 59 VAL MG1 4.720 . 5.220 2.969 2.748 3.394 . 0 0 "[ . 1 . 2]" 1
404 1 33 PHE HB2 1 61 PHE HZ 4.460 . 4.960 4.072 3.945 4.286 . 0 0 "[ . 1 . 2]" 1
405 1 33 PHE HB3 1 34 SER H 4.730 . 5.230 3.994 3.925 4.085 . 0 0 "[ . 1 . 2]" 1
406 1 33 PHE HB3 1 36 TYR QD 4.220 . 4.720 3.116 2.845 3.609 . 0 0 "[ . 1 . 2]" 1
407 1 33 PHE HB3 1 39 ILE MD 4.240 . 4.740 2.421 2.288 2.561 . 0 0 "[ . 1 . 2]" 1
408 1 33 PHE HB3 1 59 VAL MG1 4.780 . 5.280 2.743 2.383 3.151 . 0 0 "[ . 1 . 2]" 1
409 1 33 PHE HB3 1 61 PHE QE 4.860 . 5.360 3.403 3.157 3.731 . 0 0 "[ . 1 . 2]" 1
410 1 33 PHE HB3 1 61 PHE HZ 3.990 . 4.490 2.410 2.278 2.626 . 0 0 "[ . 1 . 2]" 1
411 1 33 PHE QD 1 34 SER H 6.010 . 6.510 4.749 4.693 4.800 . 0 0 "[ . 1 . 2]" 1
412 1 33 PHE QD 1 36 TYR QD 4.800 . 5.300 2.858 2.642 3.227 . 0 0 "[ . 1 . 2]" 1
413 1 33 PHE QD 1 36 TYR QE 5.300 . 5.800 3.383 3.095 3.960 . 0 0 "[ . 1 . 2]" 1
414 1 33 PHE QD 1 39 ILE MD 6.480 . 6.980 3.990 3.841 4.112 . 0 0 "[ . 1 . 2]" 1
415 1 33 PHE QD 1 59 VAL MG1 5.760 . 6.260 3.220 2.832 3.607 . 0 0 "[ . 1 . 2]" 1
416 1 33 PHE QD 1 59 VAL MG2 5.860 . 6.360 3.467 3.067 3.712 . 0 0 "[ . 1 . 2]" 1
417 1 33 PHE QD 1 61 PHE QE 5.490 . 5.990 3.181 2.582 3.739 . 0 0 "[ . 1 . 2]" 1
418 1 33 PHE QD 1 61 PHE HZ 4.400 . 4.900 2.775 2.363 3.161 . 0 0 "[ . 1 . 2]" 1
419 1 33 PHE QD 1 70 ALA MB 4.770 . 5.270 2.520 2.171 2.930 . 0 0 "[ . 1 . 2]" 1
420 1 33 PHE QD 1 74 ALA MB 6.090 . 6.590 3.496 3.334 3.799 . 0 0 "[ . 1 . 2]" 1
421 1 33 PHE QE 1 36 TYR QD 6.930 . 7.430 4.645 4.527 4.916 . 0 0 "[ . 1 . 2]" 1
422 1 33 PHE QE 1 59 VAL MG2 5.920 . 6.420 3.753 3.341 4.007 . 0 0 "[ . 1 . 2]" 1
423 1 33 PHE QE 1 70 ALA MB 6.540 . 7.040 3.653 2.843 4.048 . 0 0 "[ . 1 . 2]" 1
424 1 33 PHE QE 1 74 ALA MB 4.570 . 5.070 2.446 2.290 2.803 . 0 0 "[ . 1 . 2]" 1
425 1 33 PHE QE 1 84 ILE MD 6.080 . 6.580 3.365 3.237 3.559 . 0 0 "[ . 1 . 2]" 1
426 1 33 PHE QE 1 86 VAL MG1 5.030 . 5.530 2.385 2.271 2.608 . 0 0 "[ . 1 . 2]" 1
427 1 33 PHE QE 1 86 VAL MG2 4.920 . 5.420 2.718 2.332 3.053 . 0 0 "[ . 1 . 2]" 1
428 1 33 PHE HZ 1 59 VAL MG2 6.020 . 6.520 4.377 3.978 4.796 . 0 0 "[ . 1 . 2]" 1
429 1 33 PHE HZ 1 74 ALA MB 4.640 . 5.140 2.920 2.709 3.164 . 0 0 "[ . 1 . 2]" 1
430 1 33 PHE HZ 1 84 ILE MD 5.310 . 5.810 2.665 2.372 3.088 . 0 0 "[ . 1 . 2]" 1
431 1 33 PHE HZ 1 86 VAL MG1 5.140 . 5.640 3.548 2.882 3.831 . 0 0 "[ . 1 . 2]" 1
432 1 33 PHE HZ 1 86 VAL MG2 4.560 . 5.060 2.410 2.152 2.645 . 0 0 "[ . 1 . 2]" 1
433 1 34 SER H 1 34 SER HB2 3.750 . 4.250 3.205 2.490 3.704 . 0 0 "[ . 1 . 2]" 1
434 1 34 SER H 1 34 SER QB 3.570 . 4.070 2.474 2.238 2.704 . 0 0 "[ . 1 . 2]" 1
435 1 34 SER H 1 34 SER HB3 3.750 . 4.250 2.682 2.479 3.678 . 0 0 "[ . 1 . 2]" 1
436 1 34 SER H 1 34 SER HG 4.540 . 5.040 3.461 2.226 4.483 . 0 0 "[ . 1 . 2]" 1
437 1 34 SER H 1 35 LYS H 3.510 . 4.010 2.786 2.701 2.878 . 0 0 "[ . 1 . 2]" 1
438 1 34 SER H 1 35 LYS QB 6.170 . 6.670 4.836 4.700 4.940 . 0 0 "[ . 1 . 2]" 1
439 1 34 SER H 1 39 ILE MD 4.950 . 5.450 2.949 2.833 3.039 . 0 0 "[ . 1 . 2]" 1
440 1 34 SER H 1 39 ILE QG 5.990 . 6.490 4.754 4.625 4.895 . 0 0 "[ . 1 . 2]" 1
441 1 34 SER HA 1 37 GLY H 4.820 . 5.320 3.222 3.035 3.370 . 0 0 "[ . 1 . 2]" 1
442 1 34 SER HA 1 38 PRO HA 100.000 5.000 100.500 4.955 4.940 4.976 0.060 17 0 "[ . 1 . 2]" 1
443 1 34 SER HA 1 39 ILE H 100.000 5.000 100.500 4.985 4.973 5.002 0.027 11 0 "[ . 1 . 2]" 1
444 1 34 SER HA 1 39 ILE MD 4.950 . 5.450 2.454 2.342 2.636 . 0 0 "[ . 1 . 2]" 1
445 1 34 SER QB 1 39 ILE MD 4.610 . 5.110 2.464 2.219 3.448 . 0 0 "[ . 1 . 2]" 1
446 1 34 SER QB 1 39 ILE QG 5.470 . 5.970 3.656 3.195 4.277 . 0 0 "[ . 1 . 2]" 1
447 1 35 LYS H 1 35 LYS QB 3.390 . 3.890 2.446 2.388 2.611 . 0 0 "[ . 1 . 2]" 1
448 1 35 LYS H 1 35 LYS QE 5.940 . 6.440 4.088 3.297 4.710 . 0 0 "[ . 1 . 2]" 1
449 1 35 LYS H 1 35 LYS HG2 3.820 . 4.320 2.288 1.990 3.166 . 0 0 "[ . 1 . 2]" 1
450 1 35 LYS H 1 35 LYS QG 3.740 . 4.240 2.157 1.960 2.263 . 0 0 "[ . 1 . 2]" 1
451 1 35 LYS H 1 35 LYS HG3 3.820 . 4.320 3.349 2.017 3.642 . 0 0 "[ . 1 . 2]" 1
452 1 35 LYS H 1 36 TYR H 3.360 . 3.860 2.731 2.681 2.803 . 0 0 "[ . 1 . 2]" 1
453 1 35 LYS H 1 36 TYR QD 6.120 . 6.620 4.593 4.106 4.758 . 0 0 "[ . 1 . 2]" 1
454 1 35 LYS H 1 37 GLY H 5.500 . 6.000 4.359 4.289 4.464 . 0 0 "[ . 1 . 2]" 1
455 1 35 LYS HA 1 35 LYS HG2 4.250 . 4.750 3.664 2.665 3.804 . 0 0 "[ . 1 . 2]" 1
456 1 35 LYS HA 1 35 LYS HG3 4.250 . 4.750 3.744 3.263 3.838 . 0 0 "[ . 1 . 2]" 1
457 1 35 LYS HA 1 37 GLY H 5.440 . 5.940 4.002 3.792 4.538 . 0 0 "[ . 1 . 2]" 1
458 1 35 LYS QB 1 36 TYR H 4.320 . 4.820 3.732 2.959 3.850 . 0 0 "[ . 1 . 2]" 1
459 1 35 LYS QB 1 36 TYR QD 6.160 . 6.660 4.536 3.301 4.850 . 0 0 "[ . 1 . 2]" 1
460 1 35 LYS QD 1 36 TYR QE 6.800 . 7.300 3.791 3.009 4.484 . 0 0 "[ . 1 . 2]" 1
461 1 35 LYS QE 1 36 TYR QE 6.360 . 6.860 3.487 2.427 5.048 . 0 0 "[ . 1 . 2]" 1
462 1 35 LYS QG 1 36 TYR H 4.660 . 5.160 2.943 2.682 4.135 . 0 0 "[ . 1 . 2]" 1
463 1 35 LYS QG 1 36 TYR QD 6.410 . 6.910 3.271 3.010 4.756 . 0 0 "[ . 1 . 2]" 1
464 1 35 LYS QG 1 36 TYR QE 5.320 . 5.820 3.221 2.928 4.251 . 0 0 "[ . 1 . 2]" 1
465 1 36 TYR H 1 36 TYR HB2 3.840 . 4.340 2.553 2.522 2.587 . 0 0 "[ . 1 . 2]" 1
466 1 36 TYR H 1 36 TYR QB 3.730 . 4.230 2.507 2.479 2.538 . 0 0 "[ . 1 . 2]" 1
467 1 36 TYR H 1 36 TYR HB3 3.840 . 4.340 3.661 3.639 3.686 . 0 0 "[ . 1 . 2]" 1
468 1 36 TYR H 1 36 TYR QD 4.590 . 5.090 3.202 2.999 3.282 . 0 0 "[ . 1 . 2]" 1
469 1 36 TYR H 1 37 GLY H 3.120 . 3.620 2.423 2.346 2.477 . 0 0 "[ . 1 . 2]" 1
470 1 36 TYR HA 1 36 TYR QD 3.730 . 4.230 2.387 2.280 2.483 . 0 0 "[ . 1 . 2]" 1
471 1 36 TYR QB 1 37 GLY H 4.290 . 4.790 3.299 2.840 3.473 . 0 0 "[ . 1 . 2]" 1
472 1 36 TYR QB 1 61 PHE QE 5.130 . 5.630 2.612 2.459 2.767 . 0 0 "[ . 1 . 2]" 1
473 1 36 TYR QB 1 61 PHE HZ 5.160 . 5.660 2.936 2.565 3.798 . 0 0 "[ . 1 . 2]" 1
474 1 36 TYR QB 1 70 ALA H 5.680 . 6.180 2.981 2.725 3.485 . 0 0 "[ . 1 . 2]" 1
475 1 36 TYR HB2 1 37 GLY H 4.420 . 4.920 3.427 2.909 3.635 . 0 0 "[ . 1 . 2]" 1
476 1 36 TYR HB2 1 61 PHE QE 5.510 . 6.010 2.651 2.488 2.803 . 0 0 "[ . 1 . 2]" 1
477 1 36 TYR HB2 1 70 ALA MB 4.580 . 5.080 2.302 2.189 2.576 . 0 0 "[ . 1 . 2]" 1
478 1 36 TYR HB3 1 37 GLY H 4.420 . 4.920 4.305 3.971 4.422 . 0 0 "[ . 1 . 2]" 1
479 1 36 TYR HB3 1 61 PHE QE 5.510 . 6.010 3.945 3.728 4.262 . 0 0 "[ . 1 . 2]" 1
480 1 36 TYR HB3 1 70 ALA MB 4.580 . 5.080 2.485 2.332 2.797 . 0 0 "[ . 1 . 2]" 1
481 1 36 TYR QD 1 70 ALA HA 4.560 . 5.060 2.998 2.908 3.167 . 0 0 "[ . 1 . 2]" 1
482 1 36 TYR QD 1 70 ALA MB 4.650 . 5.150 2.477 2.261 2.637 . 0 0 "[ . 1 . 2]" 1
483 1 36 TYR QD 1 73 ARG QD 5.820 . 6.320 4.442 4.033 4.645 . 0 0 "[ . 1 . 2]" 1
484 1 36 TYR QD 1 73 ARG QG 6.100 . 6.600 2.906 2.672 3.105 . 0 0 "[ . 1 . 2]" 1
485 1 36 TYR QD 1 74 ALA MB 5.890 . 6.390 3.840 3.653 4.068 . 0 0 "[ . 1 . 2]" 1
486 1 36 TYR HD1 1 70 ALA HA 4.500 . 5.000 3.751 3.610 3.950 . 0 0 "[ . 1 . 2]" 1
487 1 36 TYR HD2 1 70 ALA HA 4.500 . 5.000 3.158 2.993 3.395 . 0 0 "[ . 1 . 2]" 1
488 1 36 TYR QE 1 70 ALA HA 4.930 . 5.430 3.775 3.538 3.887 . 0 0 "[ . 1 . 2]" 1
489 1 36 TYR QE 1 70 ALA MB 6.280 . 6.780 3.814 3.549 4.016 . 0 0 "[ . 1 . 2]" 1
490 1 36 TYR QE 1 73 ARG H 5.650 . 6.150 5.016 4.920 5.063 . 0 0 "[ . 1 . 2]" 1
491 1 36 TYR QE 1 73 ARG HB2 4.340 . 4.840 2.885 2.740 3.074 . 0 0 "[ . 1 . 2]" 1
492 1 36 TYR QE 1 73 ARG HB3 4.340 . 4.840 2.403 2.269 2.580 . 0 0 "[ . 1 . 2]" 1
493 1 36 TYR QE 1 73 ARG QD 4.840 . 5.340 3.440 2.709 3.842 . 0 0 "[ . 1 . 2]" 1
494 1 36 TYR QE 1 73 ARG QG 4.830 . 5.330 2.884 2.595 3.136 . 0 0 "[ . 1 . 2]" 1
495 1 36 TYR QE 1 74 ALA MB 4.760 . 5.260 2.372 2.279 2.720 . 0 0 "[ . 1 . 2]" 1
496 1 36 TYR HE1 1 70 ALA HA 4.500 . 5.000 4.521 4.505 4.544 . 0 0 "[ . 1 . 2]" 1
497 1 36 TYR HE2 1 70 ALA HA 4.500 . 5.000 4.049 3.696 4.227 . 0 0 "[ . 1 . 2]" 1
498 1 37 GLY H 1 61 PHE QE 5.080 . 5.580 3.355 3.040 4.334 . 0 0 "[ . 1 . 2]" 1
499 1 37 GLY QA 1 38 PRO QD 3.990 . 4.490 2.021 2.001 2.051 . 0 0 "[ . 1 . 2]" 1
500 1 38 PRO HA 1 39 ILE H 3.040 . 3.540 2.179 2.144 2.210 . 0 0 "[ . 1 . 2]" 1
501 1 38 PRO HA 1 39 ILE HB 4.730 . 5.230 4.404 4.324 4.585 . 0 0 "[ . 1 . 2]" 1
502 1 38 PRO QB 1 39 ILE H 4.190 . 4.690 3.198 3.142 3.254 . 0 0 "[ . 1 . 2]" 1
503 1 38 PRO HB2 1 39 ILE H 4.290 . 4.790 3.449 3.347 3.893 . 0 0 "[ . 1 . 2]" 1
504 1 38 PRO HB3 1 39 ILE H 4.290 . 4.790 3.852 3.333 4.007 . 0 0 "[ . 1 . 2]" 1
505 1 39 ILE H 1 39 ILE HB 3.370 . 3.870 2.556 2.450 2.685 . 0 0 "[ . 1 . 2]" 1
506 1 39 ILE H 1 39 ILE HG12 4.210 . 4.710 4.143 3.980 4.212 . 0 0 "[ . 1 . 2]" 1
507 1 39 ILE H 1 39 ILE QG 4.140 . 4.640 3.014 2.860 3.111 . 0 0 "[ . 1 . 2]" 1
508 1 39 ILE H 1 39 ILE HG13 4.210 . 4.710 3.096 2.932 3.207 . 0 0 "[ . 1 . 2]" 1
509 1 39 ILE HA 1 39 ILE HG12 4.170 . 4.670 2.414 2.319 2.515 . 0 0 "[ . 1 . 2]" 1
510 1 39 ILE HA 1 39 ILE HG13 4.170 . 4.670 2.910 2.826 3.081 . 0 0 "[ . 1 . 2]" 1
511 1 39 ILE HA 1 40 ALA H 3.330 . 3.830 2.107 2.079 2.124 . 0 0 "[ . 1 . 2]" 1
512 1 39 ILE HA 1 40 ALA MB 5.150 . 5.650 3.859 3.811 3.917 . 0 0 "[ . 1 . 2]" 1
513 1 39 ILE HA 1 41 ASP H 4.320 . 4.820 3.879 3.785 4.060 . 0 0 "[ . 1 . 2]" 1
514 1 39 ILE HA 1 61 PHE HA 3.670 . 4.170 2.138 2.095 2.233 . 0 0 "[ . 1 . 2]" 1
515 1 39 ILE HA 1 62 GLU H 4.410 . 4.910 3.117 2.907 3.431 . 0 0 "[ . 1 . 2]" 1
516 1 39 ILE MD 1 61 PHE QE 6.170 . 6.670 3.095 2.824 3.432 . 0 0 "[ . 1 . 2]" 1
517 1 39 ILE MD 1 61 PHE HZ 5.600 . 6.100 3.005 2.728 3.633 . 0 0 "[ . 1 . 2]" 1
518 1 39 ILE MG 1 40 ALA H 4.520 . 5.020 2.763 2.653 2.955 . 0 0 "[ . 1 . 2]" 1
519 1 39 ILE MG 1 40 ALA MB 6.320 . 6.820 3.962 3.836 4.037 . 0 0 "[ . 1 . 2]" 1
520 1 39 ILE MG 1 41 ASP H 4.140 . 4.640 2.433 2.336 2.596 . 0 0 "[ . 1 . 2]" 1
521 1 39 ILE MG 1 42 VAL HB 5.990 . 6.490 4.319 4.131 4.692 . 0 0 "[ . 1 . 2]" 1
522 1 39 ILE MG 1 42 VAL MG2 4.310 . 4.810 2.150 2.034 2.371 . 0 0 "[ . 1 . 2]" 1
523 1 39 ILE MG 1 59 VAL HA 5.670 . 6.170 3.998 3.759 4.289 . 0 0 "[ . 1 . 2]" 1
524 1 39 ILE MG 1 60 TYR H 5.600 . 6.100 2.958 2.738 3.136 . 0 0 "[ . 1 . 2]" 1
525 1 39 ILE MG 1 60 TYR QB 7.160 . 7.660 3.744 3.583 3.876 . 0 0 "[ . 1 . 2]" 1
526 1 39 ILE MG 1 61 PHE HA 5.660 . 6.160 3.700 3.449 3.877 . 0 0 "[ . 1 . 2]" 1
527 1 40 ALA H 1 41 ASP H 3.400 . 3.900 2.339 2.225 2.458 . 0 0 "[ . 1 . 2]" 1
528 1 40 ALA H 1 61 PHE HA 3.970 . 4.470 2.961 2.686 3.130 . 0 0 "[ . 1 . 2]" 1
529 1 40 ALA H 1 61 PHE QB 5.990 . 6.490 4.929 4.705 5.111 . 0 0 "[ . 1 . 2]" 1
530 1 40 ALA HA 1 62 GLU QB 5.070 . 5.570 4.224 3.746 4.541 . 0 0 "[ . 1 . 2]" 1
531 1 40 ALA MB 1 41 ASP H 4.250 . 4.750 2.725 2.541 2.875 . 0 0 "[ . 1 . 2]" 1
532 1 40 ALA MB 1 41 ASP HB2 5.260 . 5.760 3.480 3.279 3.607 . 0 0 "[ . 1 . 2]" 1
533 1 40 ALA MB 1 41 ASP HB3 5.260 . 5.760 3.982 3.708 4.281 . 0 0 "[ . 1 . 2]" 1
534 1 40 ALA MB 1 60 TYR HB2 4.280 . 4.780 3.069 2.822 3.154 . 0 0 "[ . 1 . 2]" 1
535 1 40 ALA MB 1 60 TYR HB3 4.280 . 4.780 3.108 2.832 3.537 . 0 0 "[ . 1 . 2]" 1
536 1 40 ALA MB 1 60 TYR QD 6.150 . 6.650 4.535 4.115 4.585 . 0 0 "[ . 1 . 2]" 1
537 1 40 ALA MB 1 62 GLU HA 4.590 . 5.090 2.925 2.616 3.153 . 0 0 "[ . 1 . 2]" 1
538 1 40 ALA MB 1 62 GLU QB 6.090 . 6.590 3.064 2.510 3.616 . 0 0 "[ . 1 . 2]" 1
539 1 41 ASP H 1 41 ASP HB2 4.150 . 4.650 3.332 3.232 3.458 . 0 0 "[ . 1 . 2]" 1
540 1 41 ASP H 1 41 ASP HB3 4.150 . 4.650 3.209 3.097 3.422 . 0 0 "[ . 1 . 2]" 1
541 1 41 ASP H 1 42 VAL MG2 5.640 . 6.140 3.856 3.700 4.064 . 0 0 "[ . 1 . 2]" 1
542 1 41 ASP H 1 60 TYR H 4.100 . 4.600 3.341 3.253 3.469 . 0 0 "[ . 1 . 2]" 1
543 1 41 ASP H 1 60 TYR QB 3.700 . 4.200 2.432 2.319 2.587 . 0 0 "[ . 1 . 2]" 1
544 1 41 ASP H 1 60 TYR QD 5.280 . 5.780 3.955 3.381 4.108 . 0 0 "[ . 1 . 2]" 1
545 1 41 ASP HA 1 42 VAL H 3.120 . 3.620 2.424 2.355 2.534 . 0 0 "[ . 1 . 2]" 1
546 1 41 ASP QB 1 60 TYR QB 4.460 . 4.960 2.544 2.295 3.540 . 0 0 "[ . 1 . 2]" 1
547 1 41 ASP QB 1 60 TYR QD 4.510 . 5.010 2.629 2.228 2.758 . 0 0 "[ . 1 . 2]" 1
548 1 41 ASP HB2 1 42 VAL H 4.350 . 4.850 3.862 3.779 3.907 . 0 0 "[ . 1 . 2]" 1
549 1 41 ASP HB2 1 60 TYR QD 4.820 . 5.320 4.259 3.744 4.318 . 0 0 "[ . 1 . 2]" 1
550 1 41 ASP HB3 1 42 VAL H 4.350 . 4.850 3.277 2.885 3.551 . 0 0 "[ . 1 . 2]" 1
551 1 41 ASP HB3 1 60 TYR QD 4.820 . 5.320 2.654 2.245 2.791 . 0 0 "[ . 1 . 2]" 1
552 1 42 VAL H 1 42 VAL HB 3.700 . 4.200 3.062 2.847 3.131 . 0 0 "[ . 1 . 2]" 1
553 1 42 VAL HA 1 43 SER H 2.990 . 3.490 2.262 2.207 2.321 . 0 0 "[ . 1 . 2]" 1
554 1 42 VAL HA 1 59 VAL HA 3.680 . 4.180 2.486 2.406 2.568 . 0 0 "[ . 1 . 2]" 1
555 1 42 VAL HB 1 43 SER H 4.730 . 5.230 4.036 3.906 4.120 . 0 0 "[ . 1 . 2]" 1
556 1 42 VAL HB 1 59 VAL MG1 6.610 . 7.110 5.034 4.955 5.153 . 0 0 "[ . 1 . 2]" 1
557 1 42 VAL HB 1 59 VAL MG2 6.610 . 7.110 4.562 4.317 4.840 . 0 0 "[ . 1 . 2]" 1
558 1 42 VAL MG1 1 43 SER H 4.340 . 4.840 2.451 2.305 2.566 . 0 0 "[ . 1 . 2]" 1
559 1 42 VAL MG1 1 44 ILE H 6.220 . 6.720 4.103 3.557 4.570 . 0 0 "[ . 1 . 2]" 1
560 1 42 VAL MG1 1 59 VAL HA 5.030 . 5.530 3.052 2.786 3.371 . 0 0 "[ . 1 . 2]" 1
561 1 42 VAL MG1 1 59 VAL HB 6.610 . 7.110 4.746 4.526 4.981 . 0 0 "[ . 1 . 2]" 1
562 1 42 VAL MG1 1 59 VAL MG2 4.460 . 4.960 2.215 2.144 2.373 . 0 0 "[ . 1 . 2]" 1
563 1 42 VAL MG2 1 59 VAL HA 4.670 . 5.170 2.524 2.299 2.881 . 0 0 "[ . 1 . 2]" 1
564 1 42 VAL MG2 1 59 VAL HB 6.610 . 7.110 4.438 4.256 4.745 . 0 0 "[ . 1 . 2]" 1
565 1 42 VAL MG2 1 59 VAL MG1 4.750 . 5.250 2.242 2.171 2.371 . 0 0 "[ . 1 . 2]" 1
566 1 42 VAL MG2 1 60 TYR H 5.620 . 6.120 3.090 2.888 3.303 . 0 0 "[ . 1 . 2]" 1
567 1 43 SER H 1 43 SER HB2 3.870 . 4.370 3.097 2.685 3.866 . 0 0 "[ . 1 . 2]" 1
568 1 43 SER H 1 43 SER HB3 3.870 . 4.370 3.343 2.916 3.875 . 0 0 "[ . 1 . 2]" 1
569 1 43 SER H 1 58 PHE H 4.030 . 4.530 2.950 2.866 3.038 . 0 0 "[ . 1 . 2]" 1
570 1 43 SER H 1 58 PHE QB 5.310 . 5.810 3.565 3.354 3.721 . 0 0 "[ . 1 . 2]" 1
571 1 43 SER H 1 59 VAL HA 4.240 . 4.740 3.827 3.714 3.919 . 0 0 "[ . 1 . 2]" 1
572 1 43 SER H 1 59 VAL MG2 5.680 . 6.180 4.110 3.984 4.265 . 0 0 "[ . 1 . 2]" 1
573 1 43 SER HA 1 44 ILE H 3.060 . 3.560 2.195 2.163 2.285 . 0 0 "[ . 1 . 2]" 1
574 1 43 SER HA 1 44 ILE HB 4.870 . 5.370 4.504 4.429 4.611 . 0 0 "[ . 1 . 2]" 1
575 1 43 SER QB 1 58 PHE QB 4.850 . 5.350 3.059 2.577 3.891 . 0 0 "[ . 1 . 2]" 1
576 1 43 SER QB 1 58 PHE QD 6.070 . 6.570 3.711 3.116 4.072 . 0 0 "[ . 1 . 2]" 1
577 1 43 SER QB 1 60 TYR QE 5.040 . 5.540 3.005 2.490 3.718 . 0 0 "[ . 1 . 2]" 1
578 1 43 SER HB2 1 60 TYR QE 5.120 . 5.620 3.424 2.512 4.591 . 0 0 "[ . 1 . 2]" 1
579 1 43 SER HB3 1 60 TYR QE 5.120 . 5.620 3.767 2.932 4.569 . 0 0 "[ . 1 . 2]" 1
580 1 44 ILE H 1 44 ILE HB 3.510 . 4.010 2.404 2.309 2.719 . 0 0 "[ . 1 . 2]" 1
581 1 44 ILE H 1 44 ILE MD 5.160 . 5.660 3.840 3.613 4.251 . 0 0 "[ . 1 . 2]" 1
582 1 44 ILE H 1 44 ILE HG12 4.520 . 5.020 3.986 3.833 4.133 . 0 0 "[ . 1 . 2]" 1
583 1 44 ILE H 1 44 ILE QG 4.310 . 4.810 2.744 2.580 2.950 . 0 0 "[ . 1 . 2]" 1
584 1 44 ILE H 1 44 ILE HG13 4.520 . 5.020 2.796 2.621 3.031 . 0 0 "[ . 1 . 2]" 1
585 1 44 ILE H 1 46 TYR QE 4.760 . 5.260 3.388 3.260 3.627 . 0 0 "[ . 1 . 2]" 1
586 1 44 ILE H 1 57 ALA MB 6.550 . 7.050 4.069 3.966 4.510 . 0 0 "[ . 1 . 2]" 1
587 1 44 ILE HA 1 44 ILE HG12 4.080 . 4.580 2.491 2.356 2.602 . 0 0 "[ . 1 . 2]" 1
588 1 44 ILE HA 1 44 ILE HG13 4.080 . 4.580 2.834 2.651 3.115 . 0 0 "[ . 1 . 2]" 1
589 1 44 ILE HA 1 45 VAL H 3.440 . 3.940 2.260 2.228 2.285 . 0 0 "[ . 1 . 2]" 1
590 1 44 ILE HA 1 45 VAL MG2 5.440 . 5.940 3.560 3.433 3.702 . 0 0 "[ . 1 . 2]" 1
591 1 44 ILE HA 1 57 ALA HA 3.600 . 4.100 2.296 2.229 2.407 . 0 0 "[ . 1 . 2]" 1
592 1 44 ILE HA 1 57 ALA MB 4.110 . 4.610 2.244 2.166 2.448 . 0 0 "[ . 1 . 2]" 1
593 1 44 ILE HA 1 58 PHE H 4.120 . 4.620 3.574 3.500 3.680 . 0 0 "[ . 1 . 2]" 1
594 1 44 ILE HB 1 46 TYR QE 4.030 . 4.530 2.559 2.362 2.715 . 0 0 "[ . 1 . 2]" 1
595 1 44 ILE MD 1 46 TYR QE 6.030 . 6.530 3.778 3.584 3.977 . 0 0 "[ . 1 . 2]" 1
596 1 44 ILE MD 1 57 ALA MB 4.790 . 5.290 3.346 3.259 3.366 . 0 0 "[ . 1 . 2]" 1
597 1 44 ILE QG 1 57 ALA MB 4.930 . 5.430 1.971 1.945 2.038 . 0 0 "[ . 1 . 2]" 1
598 1 44 ILE QG 1 58 PHE H 5.990 . 6.490 4.292 3.955 4.440 . 0 0 "[ . 1 . 2]" 1
599 1 44 ILE MG 1 45 VAL H 4.360 . 4.860 2.353 2.269 2.423 . 0 0 "[ . 1 . 2]" 1
600 1 44 ILE MG 1 46 TYR QD 5.820 . 6.320 3.461 3.250 3.787 . 0 0 "[ . 1 . 2]" 1
601 1 44 ILE MG 1 46 TYR QE 5.240 . 5.740 2.969 2.850 3.145 . 0 0 "[ . 1 . 2]" 1
602 1 44 ILE MG 1 53 SER HA 4.760 . 5.260 3.299 3.006 3.714 . 0 0 "[ . 1 . 2]" 1
603 1 44 ILE MG 1 53 SER HB2 5.550 . 6.050 3.015 2.620 3.471 . 0 0 "[ . 1 . 2]" 1
604 1 44 ILE MG 1 53 SER QB 5.240 . 5.740 2.946 2.582 3.370 . 0 0 "[ . 1 . 2]" 1
605 1 44 ILE MG 1 53 SER HB3 5.550 . 6.050 4.160 3.862 4.566 . 0 0 "[ . 1 . 2]" 1
606 1 44 ILE MG 1 54 ARG H 5.610 . 6.110 3.720 3.556 3.962 . 0 0 "[ . 1 . 2]" 1
607 1 44 ILE MG 1 56 PHE H 5.510 . 6.010 3.566 3.358 3.790 . 0 0 "[ . 1 . 2]" 1
608 1 44 ILE MG 1 57 ALA HA 5.140 . 5.640 3.971 3.737 4.100 . 0 0 "[ . 1 . 2]" 1
609 1 44 ILE MG 1 57 ALA MB 5.510 . 6.010 2.950 2.531 3.284 . 0 0 "[ . 1 . 2]" 1
610 1 45 VAL H 1 45 VAL HB 3.670 . 4.170 2.556 2.510 2.635 . 0 0 "[ . 1 . 2]" 1
611 1 45 VAL H 1 45 VAL MG2 4.320 . 4.820 2.482 2.407 2.544 . 0 0 "[ . 1 . 2]" 1
612 1 45 VAL H 1 56 PHE H 4.540 . 5.040 3.780 3.694 3.922 . 0 0 "[ . 1 . 2]" 1
613 1 45 VAL H 1 57 ALA HA 4.180 . 4.680 2.904 2.807 3.033 . 0 0 "[ . 1 . 2]" 1
614 1 45 VAL H 1 57 ALA MB 5.220 . 5.720 3.449 3.281 3.611 . 0 0 "[ . 1 . 2]" 1
615 1 45 VAL H 1 58 PHE QD 6.170 . 6.670 5.158 5.045 5.302 . 0 0 "[ . 1 . 2]" 1
616 1 45 VAL HA 1 46 TYR H 3.090 . 3.590 2.119 2.086 2.156 . 0 0 "[ . 1 . 2]" 1
617 1 45 VAL HA 1 46 TYR HB2 4.630 . 5.130 4.466 4.387 4.565 . 0 0 "[ . 1 . 2]" 1
618 1 45 VAL HA 1 46 TYR QD 5.400 . 5.900 3.819 3.421 4.313 . 0 0 "[ . 1 . 2]" 1
619 1 45 VAL HB 1 54 ARG H 4.970 . 5.470 3.924 3.806 4.075 . 0 0 "[ . 1 . 2]" 1
620 1 45 VAL HB 1 54 ARG HB2 4.900 . 5.400 2.942 2.819 3.050 . 0 0 "[ . 1 . 2]" 1
621 1 45 VAL HB 1 54 ARG QB 4.620 . 5.120 2.904 2.790 3.009 . 0 0 "[ . 1 . 2]" 1
622 1 45 VAL HB 1 54 ARG HB3 4.900 . 5.400 4.486 4.347 4.633 . 0 0 "[ . 1 . 2]" 1
623 1 45 VAL HB 1 55 GLY H 5.130 . 5.630 5.071 4.887 5.150 . 0 0 "[ . 1 . 2]" 1
624 1 45 VAL HB 1 56 PHE H 4.400 . 4.900 3.640 3.439 3.787 . 0 0 "[ . 1 . 2]" 1
625 1 45 VAL HB 1 56 PHE QD 5.020 . 5.520 3.521 3.361 3.699 . 0 0 "[ . 1 . 2]" 1
626 1 45 VAL MG1 1 46 TYR H 4.520 . 5.020 2.761 2.555 3.180 . 0 0 "[ . 1 . 2]" 1
627 1 45 VAL MG1 1 54 ARG H 6.400 . 6.900 3.884 3.674 4.343 . 0 0 "[ . 1 . 2]" 1
628 1 45 VAL MG1 1 54 ARG QB 4.660 . 5.160 2.693 2.364 3.077 . 0 0 "[ . 1 . 2]" 1
629 1 45 VAL MG1 1 54 ARG HD2 4.720 . 5.220 2.346 2.182 3.079 . 0 0 "[ . 1 . 2]" 1
630 1 45 VAL MG1 1 54 ARG QD 4.570 . 5.070 2.174 2.055 2.222 . 0 0 "[ . 1 . 2]" 1
631 1 45 VAL MG1 1 54 ARG HD3 4.720 . 5.220 3.237 2.086 3.622 . 0 0 "[ . 1 . 2]" 1
632 1 45 VAL MG1 1 54 ARG QG 4.230 . 4.730 2.997 2.554 3.146 . 0 0 "[ . 1 . 2]" 1
633 1 45 VAL MG1 1 56 PHE QD 6.850 . 7.350 3.961 3.811 4.144 . 0 0 "[ . 1 . 2]" 1
634 1 45 VAL MG1 1 56 PHE QE 5.410 . 5.910 2.783 2.496 3.060 . 0 0 "[ . 1 . 2]" 1
635 1 45 VAL MG1 1 56 PHE HZ 4.410 . 4.910 2.811 2.614 3.070 . 0 0 "[ . 1 . 2]" 1
636 1 45 VAL MG2 1 46 TYR H 5.240 . 5.740 4.032 3.949 4.135 . 0 0 "[ . 1 . 2]" 1
637 1 45 VAL MG2 1 56 PHE QD 5.550 . 6.050 2.873 2.478 3.247 . 0 0 "[ . 1 . 2]" 1
638 1 45 VAL MG2 1 56 PHE QE 5.310 . 5.810 2.464 2.312 2.676 . 0 0 "[ . 1 . 2]" 1
639 1 45 VAL MG2 1 57 ALA HA 5.090 . 5.590 2.685 2.421 3.015 . 0 0 "[ . 1 . 2]" 1
640 1 45 VAL MG2 1 58 PHE H 6.050 . 6.550 4.290 3.984 4.688 . 0 0 "[ . 1 . 2]" 1
641 1 45 VAL MG2 1 58 PHE QD 5.420 . 5.920 2.949 2.730 3.206 . 0 0 "[ . 1 . 2]" 1
642 1 45 VAL MG2 1 58 PHE QE 4.690 . 5.190 2.389 2.237 2.697 . 0 0 "[ . 1 . 2]" 1
643 1 46 TYR H 1 46 TYR HB2 3.630 . 4.130 2.565 2.452 2.645 . 0 0 "[ . 1 . 2]" 1
644 1 46 TYR H 1 46 TYR HB3 3.940 . 4.440 3.731 3.658 3.782 . 0 0 "[ . 1 . 2]" 1
645 1 46 TYR H 1 46 TYR QD 4.380 . 4.880 3.005 2.843 3.112 . 0 0 "[ . 1 . 2]" 1
646 1 46 TYR HA 1 47 ASP H 3.470 . 3.970 2.225 2.163 2.318 . 0 0 "[ . 1 . 2]" 1
647 1 46 TYR HB2 1 47 ASP H 4.500 . 5.000 3.918 3.710 4.076 . 0 0 "[ . 1 . 2]" 1
648 1 46 TYR HB2 1 51 ARG HA 4.530 . 5.030 4.104 3.684 4.532 . 0 0 "[ . 1 . 2]" 1
649 1 46 TYR HB3 1 47 ASP H 3.680 . 4.180 2.783 2.526 2.983 . 0 0 "[ . 1 . 2]" 1
650 1 46 TYR HB3 1 51 ARG HA 4.290 . 4.790 2.806 2.484 3.200 . 0 0 "[ . 1 . 2]" 1
651 1 46 TYR HB3 1 53 SER HA 5.360 . 5.860 4.135 3.909 4.392 . 0 0 "[ . 1 . 2]" 1
652 1 46 TYR QD 1 47 ASP H 5.170 . 5.670 3.724 3.589 3.835 . 0 0 "[ . 1 . 2]" 1
653 1 46 TYR QD 1 51 ARG HA 5.420 . 5.920 4.288 4.065 4.585 . 0 0 "[ . 1 . 2]" 1
654 1 46 TYR QD 1 52 ARG HA 4.880 . 5.380 3.605 3.330 3.944 . 0 0 "[ . 1 . 2]" 1
655 1 46 TYR QD 1 53 SER H 4.740 . 5.240 3.348 3.210 3.498 . 0 0 "[ . 1 . 2]" 1
656 1 46 TYR QD 1 53 SER HA 4.130 . 4.630 2.611 2.455 2.764 . 0 0 "[ . 1 . 2]" 1
657 1 46 TYR QE 1 53 SER HA 4.760 . 5.260 3.685 3.480 3.888 . 0 0 "[ . 1 . 2]" 1
658 1 46 TYR QE 1 53 SER QB 5.530 . 6.030 2.765 2.362 3.091 . 0 0 "[ . 1 . 2]" 1
659 1 47 ASP H 1 47 ASP HB2 3.850 . 4.350 2.442 2.382 2.539 . 0 0 "[ . 1 . 2]" 1
660 1 47 ASP H 1 47 ASP QB 3.690 . 4.190 2.193 2.154 2.238 . 0 0 "[ . 1 . 2]" 1
661 1 47 ASP H 1 47 ASP HB3 3.850 . 4.350 2.486 2.395 2.566 . 0 0 "[ . 1 . 2]" 1
662 1 47 ASP H 1 52 ARG H 4.180 . 4.680 3.589 3.448 3.820 . 0 0 "[ . 1 . 2]" 1
663 1 47 ASP H 1 53 SER HA 4.230 . 4.730 3.799 3.669 3.929 . 0 0 "[ . 1 . 2]" 1
664 1 47 ASP H 1 54 ARG QG 4.590 . 5.090 3.036 2.859 3.357 . 0 0 "[ . 1 . 2]" 1
665 1 47 ASP HA 1 54 ARG QD 4.570 . 5.070 3.376 2.630 4.077 . 0 0 "[ . 1 . 2]" 1
666 1 47 ASP HA 1 54 ARG QG 4.870 . 5.370 3.057 2.780 3.631 . 0 0 "[ . 1 . 2]" 1
667 1 47 ASP QB 1 50 SER H 5.200 . 5.700 3.015 2.804 3.269 . 0 0 "[ . 1 . 2]" 1
668 1 47 ASP QB 1 51 ARG H 4.470 . 4.970 2.540 2.341 2.757 . 0 0 "[ . 1 . 2]" 1
669 1 47 ASP QB 1 51 ARG HA 5.020 . 5.520 3.291 2.938 3.605 . 0 0 "[ . 1 . 2]" 1
670 1 47 ASP QB 1 52 ARG H 3.980 . 4.480 2.488 2.223 2.874 . 0 0 "[ . 1 . 2]" 1
671 1 47 ASP QB 1 54 ARG QG 4.980 . 5.480 2.828 2.383 3.167 . 0 0 "[ . 1 . 2]" 1
672 1 47 ASP HB2 1 51 ARG H 4.700 . 5.200 4.297 4.088 4.487 . 0 0 "[ . 1 . 2]" 1
673 1 47 ASP HB2 1 52 ARG H 4.240 . 4.740 3.728 3.444 4.169 . 0 0 "[ . 1 . 2]" 1
674 1 47 ASP HB3 1 51 ARG H 4.700 . 5.200 2.558 2.355 2.782 . 0 0 "[ . 1 . 2]" 1
675 1 47 ASP HB3 1 52 ARG H 4.240 . 4.740 2.528 2.251 2.940 . 0 0 "[ . 1 . 2]" 1
676 1 48 GLN H 1 49 GLN H 4.600 . 5.100 2.823 2.697 2.951 . 0 0 "[ . 1 . 2]" 1
677 1 49 GLN H 1 49 GLN QB 3.570 . 4.070 2.590 2.378 3.156 . 0 0 "[ . 1 . 2]" 1
678 1 49 GLN H 1 49 GLN HG2 4.790 . 5.290 4.037 2.456 4.817 . 0 0 "[ . 1 . 2]" 1
679 1 49 GLN H 1 49 GLN HG3 4.790 . 5.290 3.839 2.932 4.790 . 0 0 "[ . 1 . 2]" 1
680 1 49 GLN H 1 50 SER H 3.850 . 4.350 2.063 1.947 2.208 . 0 0 "[ . 1 . 2]" 1
681 1 49 GLN HA 1 49 GLN HG2 3.970 . 4.470 3.018 2.475 3.828 . 0 0 "[ . 1 . 2]" 1
682 1 49 GLN HA 1 49 GLN HG3 3.970 . 4.470 3.145 2.470 3.815 . 0 0 "[ . 1 . 2]" 1
683 1 49 GLN QB 1 50 SER H 4.190 . 4.690 2.764 2.277 3.704 . 0 0 "[ . 1 . 2]" 1
684 1 50 SER H 1 50 SER HB2 4.160 . 4.660 3.071 2.458 3.830 . 0 0 "[ . 1 . 2]" 1
685 1 50 SER H 1 50 SER HB3 4.160 . 4.660 3.142 2.487 3.668 . 0 0 "[ . 1 . 2]" 1
686 1 50 SER H 1 51 ARG H 3.760 . 4.260 2.389 2.044 2.629 . 0 0 "[ . 1 . 2]" 1
687 1 50 SER QB 1 52 ARG QG 5.320 . 5.820 2.792 2.312 3.574 . 0 0 "[ . 1 . 2]" 1
688 1 50 SER HB2 1 52 ARG QG 5.610 . 6.110 3.223 2.481 4.676 . 0 0 "[ . 1 . 2]" 1
689 1 50 SER HB3 1 52 ARG QG 5.610 . 6.110 3.528 2.421 4.634 . 0 0 "[ . 1 . 2]" 1
690 1 51 ARG H 1 51 ARG HG2 4.860 . 5.360 3.431 2.687 4.923 . 0 0 "[ . 1 . 2]" 1
691 1 51 ARG H 1 51 ARG HG3 4.860 . 5.360 4.245 3.685 4.438 . 0 0 "[ . 1 . 2]" 1
692 1 51 ARG H 1 52 ARG H 3.720 . 4.220 2.947 2.821 3.102 . 0 0 "[ . 1 . 2]" 1
693 1 51 ARG HA 1 51 ARG HD2 4.090 . 4.590 2.821 2.173 3.522 . 0 0 "[ . 1 . 2]" 1
694 1 51 ARG HA 1 51 ARG HD3 4.090 . 4.590 2.905 2.047 3.913 . 0 0 "[ . 1 . 2]" 1
695 1 51 ARG HA 1 51 ARG HG2 4.040 . 4.540 3.302 2.986 3.637 . 0 0 "[ . 1 . 2]" 1
696 1 51 ARG HA 1 51 ARG HG3 4.040 . 4.540 3.373 2.349 3.823 . 0 0 "[ . 1 . 2]" 1
697 1 52 ARG H 1 52 ARG HB2 3.920 . 4.420 2.580 2.344 3.637 . 0 0 "[ . 1 . 2]" 1
698 1 52 ARG H 1 52 ARG HB3 3.920 . 4.420 3.512 2.568 3.659 . 0 0 "[ . 1 . 2]" 1
699 1 52 ARG H 1 52 ARG QG 4.130 . 4.630 2.322 2.027 2.493 . 0 0 "[ . 1 . 2]" 1
700 1 52 ARG HA 1 53 SER H 3.330 . 3.830 2.346 2.264 2.429 . 0 0 "[ . 1 . 2]" 1
701 1 52 ARG HA 1 53 SER HA 4.420 . 4.920 4.449 4.424 4.469 . 0 0 "[ . 1 . 2]" 1
702 1 52 ARG QB 1 53 SER H 4.180 . 4.680 2.678 2.420 2.874 . 0 0 "[ . 1 . 2]" 1
703 1 52 ARG HB2 1 53 SER H 4.250 . 4.750 3.733 2.448 4.071 . 0 0 "[ . 1 . 2]" 1
704 1 52 ARG HB3 1 53 SER H 4.250 . 4.750 2.867 2.581 3.885 . 0 0 "[ . 1 . 2]" 1
705 1 53 SER H 1 53 SER HB2 4.000 . 4.500 2.698 2.640 2.768 . 0 0 "[ . 1 . 2]" 1
706 1 53 SER H 1 53 SER HB3 4.000 . 4.500 2.480 2.449 2.504 . 0 0 "[ . 1 . 2]" 1
707 1 53 SER HA 1 54 ARG H 3.400 . 3.900 2.223 2.196 2.278 . 0 0 "[ . 1 . 2]" 1
708 1 53 SER HA 1 55 GLY H 4.370 . 4.870 3.653 3.574 3.732 . 0 0 "[ . 1 . 2]" 1
709 1 53 SER QB 1 55 GLY H 5.250 . 5.750 3.213 3.089 3.364 . 0 0 "[ . 1 . 2]" 1
710 1 53 SER HG 1 55 GLY H 4.460 . 4.960 2.729 2.620 2.818 . 0 0 "[ . 1 . 2]" 1
711 1 54 ARG H 1 54 ARG QG 4.460 . 4.960 2.646 2.347 2.957 . 0 0 "[ . 1 . 2]" 1
712 1 54 ARG H 1 55 GLY H 3.950 . 4.450 2.538 2.365 2.695 . 0 0 "[ . 1 . 2]" 1
713 1 54 ARG HA 1 54 ARG QG 3.830 . 4.330 2.327 2.253 2.467 . 0 0 "[ . 1 . 2]" 1
714 1 54 ARG QB 1 56 PHE H 5.280 . 5.780 3.534 3.281 3.716 . 0 0 "[ . 1 . 2]" 1
715 1 54 ARG QB 1 56 PHE QD 5.150 . 5.650 3.042 2.723 3.392 . 0 0 "[ . 1 . 2]" 1
716 1 54 ARG QB 1 56 PHE QE 4.900 . 5.400 2.358 2.308 2.469 . 0 0 "[ . 1 . 2]" 1
717 1 54 ARG HB2 1 56 PHE QD 5.280 . 5.780 3.465 3.101 3.929 . 0 0 "[ . 1 . 2]" 1
718 1 54 ARG HB2 1 56 PHE QE 5.060 . 5.560 3.023 2.777 3.323 . 0 0 "[ . 1 . 2]" 1
719 1 54 ARG HB3 1 56 PHE QD 5.280 . 5.780 3.379 3.016 3.709 . 0 0 "[ . 1 . 2]" 1
720 1 54 ARG HB3 1 56 PHE QE 5.060 . 5.560 2.468 2.377 2.623 . 0 0 "[ . 1 . 2]" 1
721 1 54 ARG QD 1 56 PHE QE 5.800 . 6.300 3.112 2.764 3.578 . 0 0 "[ . 1 . 2]" 1
722 1 55 GLY H 1 56 PHE H 3.650 . 4.150 2.535 2.388 2.628 . 0 0 "[ . 1 . 2]" 1
723 1 56 PHE H 1 56 PHE QD 4.790 . 5.290 3.066 2.809 3.296 . 0 0 "[ . 1 . 2]" 1
724 1 56 PHE HA 1 57 ALA H 3.390 . 3.890 2.326 2.291 2.356 . 0 0 "[ . 1 . 2]" 1
725 1 56 PHE HA 1 57 ALA MB 5.010 . 5.510 3.475 3.453 3.504 . 0 0 "[ . 1 . 2]" 1
726 1 56 PHE QB 1 57 ALA H 3.890 . 4.390 2.326 2.292 2.363 . 0 0 "[ . 1 . 2]" 1
727 1 56 PHE HB2 1 57 ALA H 4.000 . 4.500 2.352 2.313 2.388 . 0 0 "[ . 1 . 2]" 1
728 1 56 PHE HB3 1 57 ALA H 4.000 . 4.500 3.695 3.618 3.775 . 0 0 "[ . 1 . 2]" 1
729 1 56 PHE QD 1 57 ALA H 4.940 . 5.440 3.365 3.149 3.601 . 0 0 "[ . 1 . 2]" 1
730 1 57 ALA HA 1 58 PHE H 3.430 . 3.930 2.432 2.400 2.465 . 0 0 "[ . 1 . 2]" 1
731 1 57 ALA MB 1 58 PHE H 4.180 . 4.680 2.309 2.257 2.364 . 0 0 "[ . 1 . 2]" 1
732 1 57 ALA MB 1 58 PHE QD 6.150 . 6.650 4.468 4.387 4.529 . 0 0 "[ . 1 . 2]" 1
733 1 58 PHE H 1 58 PHE HB2 3.920 . 4.420 2.700 2.640 2.758 . 0 0 "[ . 1 . 2]" 1
734 1 58 PHE H 1 58 PHE HB3 3.920 . 4.420 3.813 3.779 3.850 . 0 0 "[ . 1 . 2]" 1
735 1 58 PHE H 1 58 PHE QD 5.050 . 5.550 3.123 2.959 3.236 . 0 0 "[ . 1 . 2]" 1
736 1 58 PHE HA 1 59 VAL H 3.280 . 3.780 2.172 2.131 2.219 . 0 0 "[ . 1 . 2]" 1
737 1 58 PHE HA 1 59 VAL MG2 5.450 . 5.950 3.515 3.425 3.621 . 0 0 "[ . 1 . 2]" 1
738 1 58 PHE QB 1 59 VAL H 4.620 . 5.120 2.867 2.747 3.063 . 0 0 "[ . 1 . 2]" 1
739 1 58 PHE QB 1 60 TYR QD 5.330 . 5.830 3.986 3.861 4.134 . 0 0 "[ . 1 . 2]" 1
740 1 58 PHE QB 1 60 TYR QE 4.420 . 4.920 2.595 2.390 2.844 . 0 0 "[ . 1 . 2]" 1
741 1 58 PHE HB2 1 60 TYR QE 4.820 . 5.320 2.814 2.558 3.342 . 0 0 "[ . 1 . 2]" 1
742 1 58 PHE HB3 1 60 TYR QE 4.820 . 5.320 3.118 2.470 3.367 . 0 0 "[ . 1 . 2]" 1
743 1 58 PHE QD 1 59 VAL H 5.330 . 5.830 3.845 3.668 4.019 . 0 0 "[ . 1 . 2]" 1
744 1 58 PHE QD 1 89 SER HB2 5.470 . 5.970 3.323 2.639 4.480 . 0 0 "[ . 1 . 2]" 1
745 1 58 PHE QD 1 89 SER HB3 5.470 . 5.970 3.312 2.335 4.185 . 0 0 "[ . 1 . 2]" 1
746 1 58 PHE QE 1 89 SER HB2 5.280 . 5.780 3.437 2.491 4.713 . 0 0 "[ . 1 . 2]" 1
747 1 58 PHE QE 1 89 SER HB3 5.280 . 5.780 3.415 2.267 4.712 . 0 0 "[ . 1 . 2]" 1
748 1 59 VAL H 1 59 VAL HB 3.740 . 4.240 2.668 2.555 2.750 . 0 0 "[ . 1 . 2]" 1
749 1 59 VAL HA 1 60 TYR H 3.310 . 3.810 2.179 2.155 2.206 . 0 0 "[ . 1 . 2]" 1
750 1 59 VAL HA 1 60 TYR QD 5.030 . 5.530 3.237 2.940 4.194 . 0 0 "[ . 1 . 2]" 1
751 1 59 VAL HB 1 61 PHE QE 4.920 . 5.420 3.436 2.867 3.763 . 0 0 "[ . 1 . 2]" 1
752 1 59 VAL MG1 1 60 TYR H 4.650 . 5.150 2.725 2.606 2.861 . 0 0 "[ . 1 . 2]" 1
753 1 59 VAL MG1 1 61 PHE QD 5.550 . 6.050 3.079 2.717 3.591 . 0 0 "[ . 1 . 2]" 1
754 1 59 VAL MG1 1 61 PHE QE 5.310 . 5.810 2.426 2.181 2.699 . 0 0 "[ . 1 . 2]" 1
755 1 59 VAL MG1 1 61 PHE HZ 5.250 . 5.750 3.308 2.616 3.601 . 0 0 "[ . 1 . 2]" 1
756 1 59 VAL MG2 1 60 TYR H 5.460 . 5.960 4.066 3.979 4.155 . 0 0 "[ . 1 . 2]" 1
757 1 60 TYR H 1 60 TYR HB2 3.880 . 4.380 2.548 2.441 2.715 . 0 0 "[ . 1 . 2]" 1
758 1 60 TYR H 1 60 TYR HB3 3.880 . 4.380 3.703 3.644 3.749 . 0 0 "[ . 1 . 2]" 1
759 1 60 TYR H 1 60 TYR QD 4.200 . 4.700 2.585 2.349 3.263 . 0 0 "[ . 1 . 2]" 1
760 1 60 TYR HA 1 61 PHE H 3.330 . 3.830 2.172 2.142 2.210 . 0 0 "[ . 1 . 2]" 1
761 1 60 TYR QB 1 61 PHE H 4.600 . 5.100 3.481 3.275 3.629 . 0 0 "[ . 1 . 2]" 1
762 1 61 PHE H 1 61 PHE QD 4.670 . 5.170 2.527 2.373 2.817 . 0 0 "[ . 1 . 2]" 1
763 1 61 PHE H 1 67 ALA MB 5.940 . 6.440 3.630 3.415 3.897 . 0 0 "[ . 1 . 2]" 1
764 1 61 PHE HA 1 62 GLU H 2.500 . 3.000 2.282 2.176 2.373 . 0 0 "[ . 1 . 2]" 1
765 1 61 PHE HA 1 62 GLU QB 5.160 . 5.660 4.053 3.984 4.102 . 0 0 "[ . 1 . 2]" 1
766 1 61 PHE QB 1 62 GLU H 4.420 . 4.920 2.715 2.488 3.058 . 0 0 "[ . 1 . 2]" 1
767 1 61 PHE QB 1 63 ASN H 4.470 . 4.970 2.398 2.138 2.651 . 0 0 "[ . 1 . 2]" 1
768 1 61 PHE QB 1 67 ALA H 4.940 . 5.440 3.174 2.914 3.377 . 0 0 "[ . 1 . 2]" 1
769 1 61 PHE QB 1 67 ALA MB 4.450 . 4.950 2.223 2.090 2.406 . 0 0 "[ . 1 . 2]" 1
770 1 61 PHE HB2 1 62 GLU H 4.610 . 5.110 3.992 3.706 4.259 . 0 0 "[ . 1 . 2]" 1
771 1 61 PHE HB3 1 62 GLU H 4.610 . 5.110 2.763 2.528 3.135 . 0 0 "[ . 1 . 2]" 1
772 1 61 PHE QD 1 62 GLU H 5.400 . 5.900 3.597 3.313 3.796 . 0 0 "[ . 1 . 2]" 1
773 1 61 PHE QD 1 63 ASN H 5.220 . 5.720 4.140 3.720 4.649 . 0 0 "[ . 1 . 2]" 1
774 1 61 PHE QD 1 66 ASP HB2 5.250 . 5.750 3.039 2.610 4.685 . 0 0 "[ . 1 . 2]" 1
775 1 61 PHE QD 1 66 ASP QB 4.910 . 5.410 2.535 2.254 3.195 . 0 0 "[ . 1 . 2]" 1
776 1 61 PHE QD 1 66 ASP HB3 5.250 . 5.750 2.754 2.396 3.396 . 0 0 "[ . 1 . 2]" 1
777 1 61 PHE QD 1 67 ALA HA 4.770 . 5.270 3.241 2.976 3.647 . 0 0 "[ . 1 . 2]" 1
778 1 61 PHE QD 1 67 ALA MB 5.110 . 5.610 2.872 2.460 3.369 . 0 0 "[ . 1 . 2]" 1
779 1 61 PHE QD 1 70 ALA MB 6.120 . 6.620 3.733 3.564 3.917 . 0 0 "[ . 1 . 2]" 1
780 1 61 PHE HD1 1 67 ALA HA 5.000 . 5.500 3.323 3.009 3.918 . 0 0 "[ . 1 . 2]" 1
781 1 61 PHE HD2 1 67 ALA HA 5.000 . 5.500 4.609 4.314 4.926 . 0 0 "[ . 1 . 2]" 1
782 1 61 PHE QE 1 67 ALA HA 4.800 . 5.300 3.680 3.215 4.277 . 0 0 "[ . 1 . 2]" 1
783 1 61 PHE QE 1 67 ALA MB 6.740 . 7.240 4.196 3.785 4.698 . 0 0 "[ . 1 . 2]" 1
784 1 61 PHE QE 1 70 ALA MB 5.110 . 5.610 2.665 2.556 2.732 . 0 0 "[ . 1 . 2]" 1
785 1 61 PHE HE1 1 67 ALA HA 5.000 . 5.500 3.809 3.254 4.645 . 0 0 "[ . 1 . 2]" 1
786 1 61 PHE HE2 1 67 ALA HA 5.000 . 5.500 4.968 4.726 5.028 . 0 0 "[ . 1 . 2]" 1
787 1 61 PHE HZ 1 70 ALA MB 4.490 . 4.990 2.362 2.292 2.497 . 0 0 "[ . 1 . 2]" 1
788 1 62 GLU H 1 62 GLU HB2 3.950 . 4.450 2.449 2.408 2.495 . 0 0 "[ . 1 . 2]" 1
789 1 62 GLU H 1 62 GLU QB 3.720 . 4.220 2.240 2.202 2.270 . 0 0 "[ . 1 . 2]" 1
790 1 62 GLU H 1 62 GLU HB3 3.950 . 4.450 2.596 2.461 2.640 . 0 0 "[ . 1 . 2]" 1
791 1 62 GLU H 1 62 GLU HG2 5.500 . 6.000 4.556 4.477 4.583 . 0 0 "[ . 1 . 2]" 1
792 1 62 GLU H 1 62 GLU HG3 5.500 . 6.000 4.436 4.402 4.523 . 0 0 "[ . 1 . 2]" 1
793 1 62 GLU H 1 63 ASN H 3.900 . 4.400 2.590 2.480 2.661 . 0 0 "[ . 1 . 2]" 1
794 1 62 GLU HA 1 62 GLU HG2 4.200 . 4.700 3.121 3.058 3.796 . 0 0 "[ . 1 . 2]" 1
795 1 62 GLU HA 1 62 GLU HG3 4.200 . 4.700 2.444 2.350 3.017 . 0 0 "[ . 1 . 2]" 1
796 1 62 GLU HB2 1 63 ASN H 4.490 . 4.990 4.169 4.034 4.305 . 0 0 "[ . 1 . 2]" 1
797 1 62 GLU HB3 1 63 ASN H 4.490 . 4.990 3.281 3.004 3.659 . 0 0 "[ . 1 . 2]" 1
798 1 62 GLU QG 1 63 ASN H 4.920 . 5.420 4.259 4.006 4.421 . 0 0 "[ . 1 . 2]" 1
799 1 62 GLU HG2 1 63 ASN H 5.130 . 5.630 4.593 4.203 5.160 . 0 0 "[ . 1 . 2]" 1
800 1 62 GLU HG3 1 63 ASN H 5.130 . 5.630 5.092 4.412 5.162 . 0 0 "[ . 1 . 2]" 1
801 1 63 ASN H 1 63 ASN HB2 4.060 . 4.560 2.928 2.406 3.286 . 0 0 "[ . 1 . 2]" 1
802 1 63 ASN H 1 63 ASN HB3 4.060 . 4.560 3.481 2.601 3.932 . 0 0 "[ . 1 . 2]" 1
803 1 63 ASN HA 1 64 VAL H 3.140 . 3.640 2.218 2.146 2.287 . 0 0 "[ . 1 . 2]" 1
804 1 63 ASN HA 1 64 VAL HB 4.710 . 5.210 4.521 4.246 4.691 . 0 0 "[ . 1 . 2]" 1
805 1 63 ASN HA 1 64 VAL MG1 5.180 . 5.680 4.031 3.783 4.281 . 0 0 "[ . 1 . 2]" 1
806 1 63 ASN QB 1 65 ASP H 4.520 . 5.020 3.062 2.570 3.789 . 0 0 "[ . 1 . 2]" 1
807 1 63 ASN QB 1 66 ASP H 3.940 . 4.440 2.746 2.332 3.291 . 0 0 "[ . 1 . 2]" 1
808 1 63 ASN HB2 1 64 VAL H 4.500 . 5.000 4.059 3.613 4.476 . 0 0 "[ . 1 . 2]" 1
809 1 63 ASN HB2 1 66 ASP H 4.060 . 4.560 3.417 2.607 4.138 . 0 0 "[ . 1 . 2]" 1
810 1 63 ASN HB3 1 64 VAL H 4.500 . 5.000 3.380 2.651 4.200 . 0 0 "[ . 1 . 2]" 1
811 1 63 ASN HB3 1 66 ASP H 4.060 . 4.560 3.280 2.346 4.062 . 0 0 "[ . 1 . 2]" 1
812 1 64 VAL H 1 64 VAL HB 3.460 . 3.960 2.509 2.326 2.679 . 0 0 "[ . 1 . 2]" 1
813 1 64 VAL H 1 64 VAL MG1 4.160 . 4.660 2.212 2.015 2.423 . 0 0 "[ . 1 . 2]" 1
814 1 64 VAL H 1 65 ASP H 3.780 . 4.280 2.782 2.635 2.931 . 0 0 "[ . 1 . 2]" 1
815 1 64 VAL HA 1 66 ASP H 5.160 . 5.660 4.237 3.892 4.670 . 0 0 "[ . 1 . 2]" 1
816 1 64 VAL HA 1 67 ALA H 4.240 . 4.740 3.437 3.041 4.086 . 0 0 "[ . 1 . 2]" 1
817 1 64 VAL HA 1 67 ALA MB 4.190 . 4.690 2.650 2.191 3.285 . 0 0 "[ . 1 . 2]" 1
818 1 64 VAL HB 1 65 ASP H 4.170 . 4.670 4.138 4.055 4.186 . 0 0 "[ . 1 . 2]" 1
819 1 64 VAL MG1 1 65 ASP H 4.120 . 4.620 2.502 2.408 2.599 . 0 0 "[ . 1 . 2]" 1
820 1 64 VAL MG1 1 65 ASP HA 4.860 . 5.360 3.481 3.347 3.638 . 0 0 "[ . 1 . 2]" 1
821 1 64 VAL MG1 1 65 ASP QB 6.210 . 6.710 3.233 2.697 3.881 . 0 0 "[ . 1 . 2]" 1
822 1 64 VAL MG1 1 68 LYS QD 7.360 . 7.860 4.266 2.944 5.215 . 0 0 "[ . 1 . 2]" 1
823 1 64 VAL MG1 1 68 LYS QE 5.530 . 6.030 3.152 2.428 4.107 . 0 0 "[ . 1 . 2]" 1
824 1 64 VAL MG1 1 68 LYS QG 7.200 . 7.700 4.381 3.993 4.915 . 0 0 "[ . 1 . 2]" 1
825 1 64 VAL MG2 1 65 ASP HA 5.820 . 6.320 3.926 3.485 4.170 . 0 0 "[ . 1 . 2]" 1
826 1 64 VAL MG2 1 67 ALA MB 5.780 . 6.280 3.255 2.716 3.938 . 0 0 "[ . 1 . 2]" 1
827 1 64 VAL MG2 1 68 LYS H 6.300 . 6.800 4.233 3.668 5.250 . 0 0 "[ . 1 . 2]" 1
828 1 64 VAL MG2 1 68 LYS QD 6.270 . 6.770 3.566 2.267 4.672 . 0 0 "[ . 1 . 2]" 1
829 1 64 VAL MG2 1 68 LYS QE 5.370 . 5.870 2.683 1.885 3.986 . 0 0 "[ . 1 . 2]" 1
830 1 64 VAL MG2 1 68 LYS QG 5.660 . 6.160 3.036 2.391 3.866 . 0 0 "[ . 1 . 2]" 1
831 1 65 ASP H 1 65 ASP HB2 3.770 . 4.270 2.471 2.294 3.569 . 0 0 "[ . 1 . 2]" 1
832 1 65 ASP H 1 65 ASP QB 3.480 . 3.980 2.276 2.188 2.561 . 0 0 "[ . 1 . 2]" 1
833 1 65 ASP H 1 65 ASP HB3 3.770 . 4.270 2.823 2.493 3.647 . 0 0 "[ . 1 . 2]" 1
834 1 65 ASP H 1 66 ASP H 3.420 . 3.920 2.619 2.478 2.730 . 0 0 "[ . 1 . 2]" 1
835 1 65 ASP HA 1 68 LYS H 4.220 . 4.720 3.372 3.095 3.723 . 0 0 "[ . 1 . 2]" 1
836 1 65 ASP HA 1 68 LYS QB 3.970 . 4.470 2.869 2.325 3.541 . 0 0 "[ . 1 . 2]" 1
837 1 65 ASP HA 1 68 LYS QD 4.580 . 5.080 3.283 2.200 4.081 . 0 0 "[ . 1 . 2]" 1
838 1 65 ASP HA 1 68 LYS QE 4.820 . 5.320 2.478 1.876 4.316 . 0 0 "[ . 1 . 2]" 1
839 1 65 ASP HA 1 68 LYS QG 5.290 . 5.790 3.369 2.617 3.823 . 0 0 "[ . 1 . 2]" 1
840 1 65 ASP QB 1 66 ASP H 3.820 . 4.320 2.995 2.786 3.485 . 0 0 "[ . 1 . 2]" 1
841 1 66 ASP H 1 67 ALA H 3.250 . 3.750 2.448 2.190 2.767 . 0 0 "[ . 1 . 2]" 1
842 1 66 ASP H 1 67 ALA MB 5.450 . 5.950 4.125 3.894 4.396 . 0 0 "[ . 1 . 2]" 1
843 1 66 ASP HA 1 68 LYS H 4.650 . 5.150 4.261 3.825 4.504 . 0 0 "[ . 1 . 2]" 1
844 1 66 ASP HA 1 69 GLU H 3.940 . 4.440 3.372 3.022 3.640 . 0 0 "[ . 1 . 2]" 1
845 1 66 ASP HA 1 69 GLU HB2 4.130 . 4.630 3.410 3.037 3.819 . 0 0 "[ . 1 . 2]" 1
846 1 66 ASP HA 1 69 GLU QB 3.830 . 4.330 2.828 2.391 3.435 . 0 0 "[ . 1 . 2]" 1
847 1 66 ASP HA 1 69 GLU HB3 4.130 . 4.630 3.039 2.480 3.909 . 0 0 "[ . 1 . 2]" 1
848 1 66 ASP HA 1 70 ALA H 4.600 . 5.100 3.999 3.758 4.352 . 0 0 "[ . 1 . 2]" 1
849 1 66 ASP QB 1 67 ALA H 3.820 . 4.320 2.802 2.513 3.059 . 0 0 "[ . 1 . 2]" 1
850 1 66 ASP QB 1 67 ALA MB 6.580 . 7.080 4.026 3.740 4.295 . 0 0 "[ . 1 . 2]" 1
851 1 66 ASP HB2 1 67 ALA H 4.080 . 4.580 2.941 2.556 3.841 . 0 0 "[ . 1 . 2]" 1
852 1 66 ASP HB3 1 67 ALA H 4.080 . 4.580 3.769 2.716 3.980 . 0 0 "[ . 1 . 2]" 1
853 1 67 ALA H 1 68 LYS H 3.600 . 4.100 2.708 2.544 2.836 . 0 0 "[ . 1 . 2]" 1
854 1 67 ALA H 1 68 LYS QB 5.420 . 5.920 4.646 4.507 4.834 . 0 0 "[ . 1 . 2]" 1
855 1 67 ALA H 1 70 ALA MB 6.390 . 6.890 4.592 4.448 4.695 . 0 0 "[ . 1 . 2]" 1
856 1 67 ALA HA 1 70 ALA H 4.230 . 4.730 3.455 3.210 3.615 . 0 0 "[ . 1 . 2]" 1
857 1 67 ALA HA 1 70 ALA MB 4.320 . 4.820 2.411 2.165 2.610 . 0 0 "[ . 1 . 2]" 1
858 1 67 ALA HA 1 71 LYS H 4.850 . 5.350 3.780 3.554 3.899 . 0 0 "[ . 1 . 2]" 1
859 1 67 ALA MB 1 68 LYS H 4.340 . 4.840 2.658 2.440 2.852 . 0 0 "[ . 1 . 2]" 1
860 1 67 ALA MB 1 88 PHE QE 5.610 . 6.110 2.843 2.457 2.980 . 0 0 "[ . 1 . 2]" 1
861 1 67 ALA MB 1 88 PHE HZ 5.730 . 6.230 4.767 4.321 4.825 . 0 0 "[ . 1 . 2]" 1
862 1 68 LYS H 1 68 LYS QB 3.610 . 4.110 2.364 2.254 2.530 . 0 0 "[ . 1 . 2]" 1
863 1 68 LYS H 1 68 LYS QD 5.220 . 5.720 4.063 3.579 4.430 . 0 0 "[ . 1 . 2]" 1
864 1 68 LYS H 1 68 LYS HG2 4.750 . 5.250 3.690 3.396 3.947 . 0 0 "[ . 1 . 2]" 1
865 1 68 LYS H 1 68 LYS QG 4.400 . 4.900 2.437 2.091 2.634 . 0 0 "[ . 1 . 2]" 1
866 1 68 LYS H 1 68 LYS HG3 4.750 . 5.250 2.473 2.110 2.675 . 0 0 "[ . 1 . 2]" 1
867 1 68 LYS H 1 69 GLU H 3.460 . 3.960 2.846 2.737 2.938 . 0 0 "[ . 1 . 2]" 1
868 1 68 LYS HA 1 68 LYS HG2 3.720 . 4.220 2.538 2.396 2.730 . 0 0 "[ . 1 . 2]" 1
869 1 68 LYS HA 1 68 LYS HG3 3.720 . 4.220 2.946 2.659 3.171 . 0 0 "[ . 1 . 2]" 1
870 1 68 LYS HA 1 71 LYS H 3.800 . 4.300 3.709 3.482 3.824 . 0 0 "[ . 1 . 2]" 1
871 1 68 LYS HA 1 71 LYS QB 4.280 . 4.780 2.876 2.782 3.191 . 0 0 "[ . 1 . 2]" 1
872 1 68 LYS HA 1 71 LYS QD 5.990 . 6.490 4.379 3.874 5.260 . 0 0 "[ . 1 . 2]" 1
873 1 68 LYS HA 1 88 PHE QE 4.480 . 4.980 2.741 2.304 3.272 . 0 0 "[ . 1 . 2]" 1
874 1 68 LYS HA 1 88 PHE HZ 3.730 . 4.230 2.195 2.085 2.318 . 0 0 "[ . 1 . 2]" 1
875 1 68 LYS QB 1 69 GLU H 3.630 . 4.130 2.536 2.271 2.913 . 0 0 "[ . 1 . 2]" 1
876 1 68 LYS QB 1 88 PHE HZ 5.140 . 5.640 3.625 3.297 3.958 . 0 0 "[ . 1 . 2]" 1
877 1 68 LYS QD 1 69 GLU H 6.170 . 6.670 4.965 4.285 5.391 . 0 0 "[ . 1 . 2]" 1
878 1 68 LYS QG 1 69 GLU H 5.770 . 6.270 4.263 3.971 4.413 . 0 0 "[ . 1 . 2]" 1
879 1 68 LYS QG 1 88 PHE QE 5.610 . 6.110 2.868 2.315 3.314 . 0 0 "[ . 1 . 2]" 1
880 1 68 LYS QG 1 88 PHE HZ 4.490 . 4.990 2.507 2.153 3.363 . 0 0 "[ . 1 . 2]" 1
881 1 68 LYS HG2 1 88 PHE HZ 4.700 . 5.200 2.557 2.267 3.467 . 0 0 "[ . 1 . 2]" 1
882 1 68 LYS HG3 1 88 PHE HZ 4.700 . 5.200 3.693 2.630 4.529 . 0 0 "[ . 1 . 2]" 1
883 1 69 GLU H 1 69 GLU HB2 3.250 . 3.750 2.275 2.227 2.327 . 0 0 "[ . 1 . 2]" 1
884 1 69 GLU H 1 69 GLU HB3 3.250 . 3.750 2.652 2.395 2.938 . 0 0 "[ . 1 . 2]" 1
885 1 69 GLU H 1 69 GLU HG2 4.480 . 4.980 4.459 4.410 4.490 . 0 0 "[ . 1 . 2]" 1
886 1 69 GLU H 1 69 GLU QG 4.240 . 4.740 3.871 3.808 3.916 . 0 0 "[ . 1 . 2]" 1
887 1 69 GLU H 1 69 GLU HG3 4.480 . 4.980 4.254 4.117 4.377 . 0 0 "[ . 1 . 2]" 1
888 1 69 GLU H 1 70 ALA H 3.350 . 3.850 2.867 2.769 2.948 . 0 0 "[ . 1 . 2]" 1
889 1 69 GLU H 1 70 ALA MB 5.510 . 6.010 4.425 4.357 4.490 . 0 0 "[ . 1 . 2]" 1
890 1 69 GLU H 1 71 LYS H 100.000 4.500 100.500 4.481 4.470 4.492 0.030 15 0 "[ . 1 . 2]" 1
891 1 69 GLU HA 1 69 GLU HG2 4.190 . 4.690 3.137 2.530 3.814 . 0 0 "[ . 1 . 2]" 1
892 1 69 GLU HA 1 69 GLU HG3 4.190 . 4.690 2.544 2.305 2.998 . 0 0 "[ . 1 . 2]" 1
893 1 69 GLU HA 1 72 GLU H 3.810 . 4.310 3.660 3.283 3.825 . 0 0 "[ . 1 . 2]" 1
894 1 69 GLU HA 1 72 GLU QB 4.010 . 4.510 2.956 2.414 3.616 . 0 0 "[ . 1 . 2]" 1
895 1 69 GLU HA 1 73 ARG H 4.850 . 5.350 4.214 3.878 4.862 . 0 0 "[ . 1 . 2]" 1
896 1 69 GLU QB 1 70 ALA H 3.610 . 4.110 2.442 2.281 2.740 . 0 0 "[ . 1 . 2]" 1
897 1 69 GLU HB2 1 70 ALA H 3.720 . 4.220 3.736 3.710 3.754 . 0 0 "[ . 1 . 2]" 1
898 1 69 GLU HB3 1 70 ALA H 3.720 . 4.220 2.478 2.301 2.817 . 0 0 "[ . 1 . 2]" 1
899 1 69 GLU QG 1 73 ARG QG 4.960 . 5.460 2.520 2.208 2.953 . 0 0 "[ . 1 . 2]" 1
900 1 70 ALA HA 1 73 ARG H 4.220 . 4.720 3.628 3.412 3.803 . 0 0 "[ . 1 . 2]" 1
901 1 70 ALA HA 1 73 ARG HB2 4.760 . 5.260 2.941 2.633 3.107 . 0 0 "[ . 1 . 2]" 1
902 1 70 ALA HA 1 73 ARG QB 4.460 . 4.960 2.909 2.609 3.069 . 0 0 "[ . 1 . 2]" 1
903 1 70 ALA HA 1 73 ARG HB3 4.760 . 5.260 4.600 4.264 4.768 . 0 0 "[ . 1 . 2]" 1
904 1 70 ALA HA 1 74 ALA H 4.120 . 4.620 3.697 3.449 3.896 . 0 0 "[ . 1 . 2]" 1
905 1 70 ALA HA 1 74 ALA MB 5.180 . 5.680 3.722 3.505 3.916 . 0 0 "[ . 1 . 2]" 1
906 1 70 ALA MB 1 71 LYS H 4.260 . 4.760 2.444 2.364 2.543 . 0 0 "[ . 1 . 2]" 1
907 1 70 ALA MB 1 72 GLU H 5.740 . 6.240 4.629 4.497 4.743 . 0 0 "[ . 1 . 2]" 1
908 1 71 LYS H 1 71 LYS HB2 3.360 . 3.860 2.324 2.237 2.416 . 0 0 "[ . 1 . 2]" 1
909 1 71 LYS H 1 71 LYS HB3 3.360 . 3.860 2.562 2.450 2.697 . 0 0 "[ . 1 . 2]" 1
910 1 71 LYS H 1 72 GLU H 3.620 . 4.120 2.890 2.802 3.016 . 0 0 "[ . 1 . 2]" 1
911 1 71 LYS HA 1 71 LYS QG 3.820 . 4.320 2.406 2.283 2.525 . 0 0 "[ . 1 . 2]" 1
912 1 71 LYS HA 1 74 ALA H 4.970 . 5.470 3.839 3.667 4.066 . 0 0 "[ . 1 . 2]" 1
913 1 71 LYS HA 1 74 ALA MB 5.600 . 6.100 3.408 3.185 3.773 . 0 0 "[ . 1 . 2]" 1
914 1 71 LYS HA 1 75 ASN H 4.760 . 5.260 3.793 3.527 4.072 . 0 0 "[ . 1 . 2]" 1
915 1 71 LYS HA 1 86 VAL HB 4.260 . 4.760 3.381 3.154 3.657 . 0 0 "[ . 1 . 2]" 1
916 1 71 LYS HA 1 86 VAL MG1 4.000 . 4.500 2.304 2.131 2.621 . 0 0 "[ . 1 . 2]" 1
917 1 71 LYS HA 1 86 VAL MG2 5.210 . 5.710 4.166 4.005 4.348 . 0 0 "[ . 1 . 2]" 1
918 1 71 LYS QB 1 72 GLU H 3.760 . 4.260 2.628 2.440 2.863 . 0 0 "[ . 1 . 2]" 1
919 1 71 LYS HB2 1 72 GLU H 3.960 . 4.460 3.892 3.800 3.977 . 0 0 "[ . 1 . 2]" 1
920 1 71 LYS HB3 1 72 GLU H 3.960 . 4.460 2.674 2.470 2.938 . 0 0 "[ . 1 . 2]" 1
921 1 71 LYS QD 1 72 GLU H 4.960 . 5.460 3.456 3.096 4.015 . 0 0 "[ . 1 . 2]" 1
922 1 71 LYS QD 1 72 GLU HA 4.320 . 4.820 3.109 2.648 3.711 . 0 0 "[ . 1 . 2]" 1
923 1 71 LYS QD 1 88 PHE QE 5.290 . 5.790 2.791 2.356 4.216 . 0 0 "[ . 1 . 2]" 1
924 1 71 LYS QE 1 88 PHE H 4.950 . 5.450 2.965 2.547 3.744 . 0 0 "[ . 1 . 2]" 1
925 1 71 LYS QE 1 88 PHE QD 5.250 . 5.750 2.894 2.517 3.426 . 0 0 "[ . 1 . 2]" 1
926 1 71 LYS QE 1 88 PHE QE 5.220 . 5.720 2.888 2.139 3.440 . 0 0 "[ . 1 . 2]" 1
927 1 71 LYS QG 1 72 GLU H 5.240 . 5.740 4.332 4.162 4.592 . 0 0 "[ . 1 . 2]" 1
928 1 71 LYS QG 1 75 ASN QB 5.910 . 6.410 3.485 3.074 3.935 . 0 0 "[ . 1 . 2]" 1
929 1 72 GLU H 1 72 GLU QB 3.460 . 3.960 2.354 2.296 2.456 . 0 0 "[ . 1 . 2]" 1
930 1 72 GLU H 1 72 GLU HG2 3.960 . 4.460 3.151 2.381 3.860 . 0 0 "[ . 1 . 2]" 1
931 1 72 GLU H 1 72 GLU HG3 3.960 . 4.460 3.063 2.443 3.960 . 0 0 "[ . 1 . 2]" 1
932 1 72 GLU H 1 73 ARG H 3.450 . 3.950 2.703 2.588 2.792 . 0 0 "[ . 1 . 2]" 1
933 1 72 GLU HA 1 75 ASN H 4.790 . 5.290 4.235 3.786 4.805 . 0 0 "[ . 1 . 2]" 1
934 1 72 GLU HA 1 75 ASN QB 5.320 . 5.820 3.726 3.146 4.326 . 0 0 "[ . 1 . 2]" 1
935 1 72 GLU QB 1 73 ARG H 4.110 . 4.610 2.971 2.481 3.681 . 0 0 "[ . 1 . 2]" 1
936 1 72 GLU QG 1 73 ARG H 4.920 . 5.420 4.297 2.731 4.473 . 0 0 "[ . 1 . 2]" 1
937 1 73 ARG H 1 73 ARG HB2 3.770 . 4.270 2.418 2.350 2.582 . 0 0 "[ . 1 . 2]" 1
938 1 73 ARG H 1 73 ARG QB 3.610 . 4.110 2.384 2.320 2.540 . 0 0 "[ . 1 . 2]" 1
939 1 73 ARG H 1 73 ARG HB3 3.770 . 4.270 3.623 3.568 3.767 . 0 0 "[ . 1 . 2]" 1
940 1 73 ARG H 1 73 ARG QD 4.950 . 5.450 4.066 3.782 4.451 . 0 0 "[ . 1 . 2]" 1
941 1 73 ARG H 1 73 ARG QG 3.760 . 4.260 2.529 2.275 2.979 . 0 0 "[ . 1 . 2]" 1
942 1 73 ARG H 1 74 ALA H 3.370 . 3.870 2.523 2.092 2.714 . 0 0 "[ . 1 . 2]" 1
943 1 73 ARG H 1 74 ALA MB 5.420 . 5.920 4.214 3.864 4.386 . 0 0 "[ . 1 . 2]" 1
944 1 73 ARG HA 1 73 ARG QD 3.750 . 4.250 2.437 2.131 2.992 . 0 0 "[ . 1 . 2]" 1
945 1 73 ARG HA 1 75 ASN H 100.000 4.500 100.500 4.651 4.478 4.941 0.022 10 0 "[ . 1 . 2]" 1
946 1 73 ARG HB2 1 74 ALA H 3.910 . 4.410 2.664 2.557 2.809 . 0 0 "[ . 1 . 2]" 1
947 1 73 ARG HB3 1 74 ALA H 3.910 . 4.410 3.625 3.443 3.730 . 0 0 "[ . 1 . 2]" 1
948 1 73 ARG QD 1 74 ALA H 6.050 . 6.550 5.131 4.958 5.416 . 0 0 "[ . 1 . 2]" 1
949 1 73 ARG QG 1 74 ALA H 4.760 . 5.260 4.183 4.122 4.255 . 0 0 "[ . 1 . 2]" 1
950 1 74 ALA H 1 75 ASN H 3.360 . 3.860 2.648 2.569 2.787 . 0 0 "[ . 1 . 2]" 1
951 1 74 ALA H 1 75 ASN QB 5.990 . 6.490 4.427 4.298 4.635 . 0 0 "[ . 1 . 2]" 1
952 1 74 ALA H 1 86 VAL MG2 6.240 . 6.740 4.507 4.368 4.648 . 0 0 "[ . 1 . 2]" 1
953 1 74 ALA HA 1 77 MET H 4.320 4.000 4.820 3.978 3.953 3.997 0.047 3 0 "[ . 1 . 2]" 1
954 1 74 ALA HA 1 77 MET HB2 4.600 . 5.100 4.508 4.298 4.615 . 0 0 "[ . 1 . 2]" 1
955 1 74 ALA HA 1 77 MET HB3 3.850 . 4.350 3.172 2.940 3.354 . 0 0 "[ . 1 . 2]" 1
956 1 74 ALA HA 1 77 MET ME 4.730 . 5.230 3.581 3.253 3.983 . 0 0 "[ . 1 . 2]" 1
957 1 74 ALA MB 1 75 ASN H 4.730 . 5.230 2.973 2.863 3.227 . 0 0 "[ . 1 . 2]" 1
958 1 74 ALA MB 1 77 MET ME 5.130 . 5.630 2.606 2.378 3.558 . 0 0 "[ . 1 . 2]" 1
959 1 74 ALA MB 1 77 MET HG2 5.300 . 5.800 3.479 3.321 3.603 . 0 0 "[ . 1 . 2]" 1
960 1 74 ALA MB 1 84 ILE MD 5.440 . 5.940 2.803 2.581 3.164 . 0 0 "[ . 1 . 2]" 1
961 1 74 ALA MB 1 86 VAL MG2 4.690 . 5.190 2.204 2.125 2.300 . 0 0 "[ . 1 . 2]" 1
962 1 75 ASN H 1 75 ASN HB2 3.390 . 3.890 2.539 2.438 3.498 . 0 0 "[ . 1 . 2]" 1
963 1 75 ASN H 1 75 ASN HB3 3.390 . 3.890 2.591 2.480 2.633 . 0 0 "[ . 1 . 2]" 1
964 1 75 ASN H 1 86 VAL HB 4.210 . 4.710 3.233 3.079 3.478 . 0 0 "[ . 1 . 2]" 1
965 1 75 ASN H 1 86 VAL MG2 5.270 . 5.770 3.723 3.601 4.049 . 0 0 "[ . 1 . 2]" 1
966 1 75 ASN HA 1 76 GLY H 3.060 . 3.560 2.121 2.105 2.169 . 0 0 "[ . 1 . 2]" 1
967 1 75 ASN HA 1 77 MET HG2 5.160 . 5.660 4.840 4.713 5.081 . 0 0 "[ . 1 . 2]" 1
968 1 75 ASN HA 1 85 ARG HA 4.400 . 4.900 3.423 3.040 3.785 . 0 0 "[ . 1 . 2]" 1
969 1 75 ASN HA 1 86 VAL H 3.870 . 4.370 2.832 2.736 2.961 . 0 0 "[ . 1 . 2]" 1
970 1 75 ASN HA 1 86 VAL HB 3.360 . 3.860 2.420 2.292 2.549 . 0 0 "[ . 1 . 2]" 1
971 1 75 ASN HA 1 86 VAL MG2 4.130 . 4.630 2.435 2.262 3.004 . 0 0 "[ . 1 . 2]" 1
972 1 75 ASN QB 1 76 GLY H 4.760 . 5.260 3.886 3.519 3.999 . 0 0 "[ . 1 . 2]" 1
973 1 75 ASN QB 1 86 VAL H 4.680 . 5.180 3.319 3.187 3.637 . 0 0 "[ . 1 . 2]" 1
974 1 75 ASN QB 1 86 VAL HB 4.110 . 4.610 2.399 2.273 3.119 . 0 0 "[ . 1 . 2]" 1
975 1 75 ASN QB 1 86 VAL MG2 5.680 . 6.180 3.696 3.507 4.214 . 0 0 "[ . 1 . 2]" 1
976 1 75 ASN HB2 1 76 GLY H 4.870 . 5.370 4.355 3.706 4.493 . 0 0 "[ . 1 . 2]" 1
977 1 75 ASN HB2 1 86 VAL HB 4.270 . 4.770 2.469 2.288 4.180 . 0 0 "[ . 1 . 2]" 1
978 1 75 ASN HB3 1 76 GLY H 4.870 . 5.370 4.378 4.316 4.486 . 0 0 "[ . 1 . 2]" 1
979 1 75 ASN HB3 1 86 VAL HB 4.270 . 4.770 3.937 3.219 4.032 . 0 0 "[ . 1 . 2]" 1
980 1 76 GLY H 1 77 MET H 3.460 . 3.960 2.685 2.439 2.772 . 0 0 "[ . 1 . 2]" 1
981 1 76 GLY H 1 84 ILE MD 5.340 . 5.840 3.678 3.473 3.926 . 0 0 "[ . 1 . 2]" 1
982 1 76 GLY H 1 84 ILE HG13 4.540 . 5.040 2.635 2.476 3.047 . 0 0 "[ . 1 . 2]" 1
983 1 76 GLY H 1 85 ARG HA 4.890 . 5.390 2.800 2.445 3.155 . 0 0 "[ . 1 . 2]" 1
984 1 76 GLY H 1 86 VAL MG2 5.250 . 5.750 3.229 3.111 3.385 . 0 0 "[ . 1 . 2]" 1
985 1 76 GLY QA 1 84 ILE MD 6.350 . 6.850 4.752 4.725 4.785 . 0 0 "[ . 1 . 2]" 1
986 1 77 MET H 1 77 MET HB2 3.710 . 4.210 3.602 3.588 3.626 . 0 0 "[ . 1 . 2]" 1
987 1 77 MET H 1 77 MET HB3 3.340 . 3.840 2.390 2.355 2.448 . 0 0 "[ . 1 . 2]" 1
988 1 77 MET H 1 77 MET HG2 3.520 . 4.020 2.484 2.406 2.564 . 0 0 "[ . 1 . 2]" 1
989 1 77 MET H 1 77 MET HG3 4.340 . 4.840 3.719 3.636 3.780 . 0 0 "[ . 1 . 2]" 1
990 1 77 MET H 1 84 ILE H 100.000 5.000 100.500 4.922 4.892 4.962 0.108 12 0 "[ . 1 . 2]" 1
991 1 77 MET H 1 84 ILE MD 5.380 . 5.880 3.607 3.528 3.718 . 0 0 "[ . 1 . 2]" 1
992 1 77 MET H 1 84 ILE HG12 4.390 3.500 4.890 3.615 3.491 4.196 0.009 4 0 "[ . 1 . 2]" 1
993 1 77 MET H 1 84 ILE HG13 4.430 3.500 4.930 3.489 3.464 3.522 0.036 20 0 "[ . 1 . 2]" 1
994 1 77 MET HA 1 78 GLU H 2.900 . 3.400 2.637 2.565 2.721 . 0 0 "[ . 1 . 2]" 1
995 1 77 MET HB2 1 78 GLU H 3.500 . 4.000 2.204 2.130 2.312 . 0 0 "[ . 1 . 2]" 1
996 1 77 MET HB3 1 78 GLU H 4.190 . 4.690 3.688 3.617 3.774 . 0 0 "[ . 1 . 2]" 1
997 1 77 MET ME 1 78 GLU H 5.540 . 6.040 4.433 3.638 4.622 . 0 0 "[ . 1 . 2]" 1
998 1 77 MET ME 1 79 LEU H 5.700 . 6.200 4.767 4.751 4.782 . 0 0 "[ . 1 . 2]" 1
999 1 77 MET ME 1 79 LEU HA 5.180 . 5.680 4.286 3.863 4.343 . 0 0 "[ . 1 . 2]" 1
1000 1 77 MET ME 1 79 LEU HB3 5.300 . 5.800 3.728 3.483 4.079 . 0 0 "[ . 1 . 2]" 1
1001 1 77 MET ME 1 79 LEU MD1 5.420 . 5.920 3.602 3.493 3.760 . 0 0 "[ . 1 . 2]" 1
1002 1 77 MET ME 1 79 LEU MD2 5.610 . 6.110 3.001 2.548 3.523 . 0 0 "[ . 1 . 2]" 1
1003 1 77 MET ME 1 84 ILE MG 6.090 . 6.590 3.752 3.578 4.160 . 0 0 "[ . 1 . 2]" 1
1004 1 77 MET HG2 1 78 GLU H 4.490 . 4.990 3.957 3.782 4.078 . 0 0 "[ . 1 . 2]" 1
1005 1 77 MET HG2 1 84 ILE MD 4.560 . 5.060 2.186 2.109 2.336 . 0 0 "[ . 1 . 2]" 1
1006 1 77 MET HG2 1 84 ILE HG12 4.220 . 4.720 2.719 2.559 2.902 . 0 0 "[ . 1 . 2]" 1
1007 1 77 MET HG2 1 84 ILE HG13 4.350 . 4.850 3.323 2.991 3.534 . 0 0 "[ . 1 . 2]" 1
1008 1 77 MET HG3 1 78 GLU H 4.550 . 5.050 2.684 2.490 2.828 . 0 0 "[ . 1 . 2]" 1
1009 1 77 MET HG3 1 79 LEU HB2 5.170 . 5.670 3.703 3.432 3.912 . 0 0 "[ . 1 . 2]" 1
1010 1 77 MET HG3 1 79 LEU HB3 4.690 . 5.190 4.574 4.306 4.707 . 0 0 "[ . 1 . 2]" 1
1011 1 77 MET HG3 1 84 ILE MD 4.710 . 5.210 3.060 2.882 3.222 . 0 0 "[ . 1 . 2]" 1
1012 1 77 MET HG3 1 84 ILE HG12 4.320 . 4.820 3.087 2.820 3.348 . 0 0 "[ . 1 . 2]" 1
1013 1 78 GLU H 1 78 GLU HB2 3.400 . 3.900 2.956 2.739 3.110 . 0 0 "[ . 1 . 2]" 1
1014 1 78 GLU H 1 78 GLU QB 3.320 . 3.820 2.463 2.331 2.545 . 0 0 "[ . 1 . 2]" 1
1015 1 78 GLU H 1 78 GLU HB3 3.400 . 3.900 2.641 2.481 2.772 . 0 0 "[ . 1 . 2]" 1
1016 1 78 GLU H 1 78 GLU HG2 4.900 . 5.400 4.512 4.399 4.631 . 0 0 "[ . 1 . 2]" 1
1017 1 78 GLU H 1 78 GLU QG 4.760 . 5.260 4.090 4.007 4.135 . 0 0 "[ . 1 . 2]" 1
1018 1 78 GLU H 1 78 GLU HG3 4.900 . 5.400 4.681 4.567 4.761 . 0 0 "[ . 1 . 2]" 1
1019 1 78 GLU HA 1 78 GLU HG2 3.960 . 4.460 3.069 2.949 3.287 . 0 0 "[ . 1 . 2]" 1
1020 1 78 GLU HA 1 78 GLU HG3 3.960 . 4.460 2.500 2.328 2.583 . 0 0 "[ . 1 . 2]" 1
1021 1 78 GLU HA 1 79 LEU H 3.160 . 3.660 2.165 2.139 2.205 . 0 0 "[ . 1 . 2]" 1
1022 1 78 GLU HA 1 84 ILE H 4.410 . 4.910 3.264 2.902 4.019 . 0 0 "[ . 1 . 2]" 1
1023 1 78 GLU HB2 1 79 LEU H 4.720 . 5.220 4.311 4.205 4.433 . 0 0 "[ . 1 . 2]" 1
1024 1 78 GLU HB3 1 79 LEU H 4.720 . 5.220 4.193 4.086 4.258 . 0 0 "[ . 1 . 2]" 1
1025 1 78 GLU QG 1 81 GLY H 4.250 . 4.750 2.582 2.354 2.826 . 0 0 "[ . 1 . 2]" 1
1026 1 78 GLU QG 1 81 GLY QA 5.540 . 6.040 2.543 2.299 2.788 . 0 0 "[ . 1 . 2]" 1
1027 1 78 GLU QG 1 82 ARG H 3.980 . 4.480 3.186 2.951 3.401 . 0 0 "[ . 1 . 2]" 1
1028 1 78 GLU HG2 1 79 LEU H 4.490 . 4.990 3.107 2.892 3.307 . 0 0 "[ . 1 . 2]" 1
1029 1 78 GLU HG3 1 79 LEU H 4.490 . 4.990 3.231 2.894 3.431 . 0 0 "[ . 1 . 2]" 1
1030 1 79 LEU H 1 79 LEU HB2 3.670 . 4.170 3.330 3.272 3.411 . 0 0 "[ . 1 . 2]" 1
1031 1 79 LEU H 1 79 LEU HB3 4.130 . 4.630 2.668 2.583 2.807 . 0 0 "[ . 1 . 2]" 1
1032 1 79 LEU H 1 79 LEU HG 4.610 . 5.110 4.397 4.317 4.493 . 0 0 "[ . 1 . 2]" 1
1033 1 79 LEU H 1 82 ARG H 3.560 . 4.060 3.179 3.009 3.327 . 0 0 "[ . 1 . 2]" 1
1034 1 79 LEU H 1 84 ILE H 4.770 . 5.270 4.063 3.569 4.779 . 0 0 "[ . 1 . 2]" 1
1035 1 79 LEU H 1 84 ILE MG 5.070 . 5.570 2.846 2.639 3.193 . 0 0 "[ . 1 . 2]" 1
1036 1 79 LEU HA 1 79 LEU MD1 3.890 . 4.390 2.252 2.212 2.315 . 0 0 "[ . 1 . 2]" 1
1037 1 79 LEU HA 1 79 LEU HG 4.270 . 4.770 3.344 3.327 3.376 . 0 0 "[ . 1 . 2]" 1
1038 1 79 LEU HA 1 80 ASP H 3.320 . 3.820 2.148 2.128 2.189 . 0 0 "[ . 1 . 2]" 1
1039 1 79 LEU HB2 1 84 ILE MD 4.680 . 5.180 3.576 3.337 3.897 . 0 0 "[ . 1 . 2]" 1
1040 1 79 LEU HB2 1 84 ILE MG 4.490 . 4.990 3.500 3.175 3.745 . 0 0 "[ . 1 . 2]" 1
1041 1 79 LEU HB3 1 84 ILE MG 4.740 . 5.240 2.484 2.136 2.779 . 0 0 "[ . 1 . 2]" 1
1042 1 79 LEU MD1 1 80 ASP H 4.880 . 5.380 2.188 2.062 2.340 . 0 0 "[ . 1 . 2]" 1
1043 1 79 LEU MD1 1 80 ASP HA 5.010 . 5.510 3.803 3.635 3.920 . 0 0 "[ . 1 . 2]" 1
1044 1 79 LEU MD2 1 80 ASP QB 6.120 . 6.620 4.251 3.962 4.486 . 0 0 "[ . 1 . 2]" 1
1045 1 79 LEU HG 1 80 ASP QB 4.820 . 5.320 2.999 2.736 3.245 . 0 0 "[ . 1 . 2]" 1
1046 1 80 ASP H 1 81 GLY H 3.940 . 4.440 2.761 2.684 2.834 . 0 0 "[ . 1 . 2]" 1
1047 1 80 ASP HA 1 81 GLY H 3.470 . 3.970 2.908 2.803 3.123 . 0 0 "[ . 1 . 2]" 1
1048 1 81 GLY H 1 82 ARG H 3.580 . 4.080 2.673 2.427 2.795 . 0 0 "[ . 1 . 2]" 1
1049 1 82 ARG H 1 82 ARG QB 3.590 . 4.090 2.592 2.330 2.727 . 0 0 "[ . 1 . 2]" 1
1050 1 82 ARG H 1 82 ARG QD 5.040 . 5.540 3.524 3.086 4.481 . 0 0 "[ . 1 . 2]" 1
1051 1 82 ARG H 1 82 ARG QG 4.070 . 4.570 2.480 2.137 2.953 . 0 0 "[ . 1 . 2]" 1
1052 1 82 ARG H 1 84 ILE MG 5.660 . 6.160 4.600 4.381 4.720 . 0 0 "[ . 1 . 2]" 1
1053 1 82 ARG HA 1 82 ARG QD 4.310 . 4.810 2.401 2.272 2.663 . 0 0 "[ . 1 . 2]" 1
1054 1 82 ARG HA 1 83 ARG H 3.020 . 3.520 2.196 2.139 2.487 . 0 0 "[ . 1 . 2]" 1
1055 1 82 ARG QB 1 83 ARG H 4.130 . 4.630 3.034 2.351 3.282 . 0 0 "[ . 1 . 2]" 1
1056 1 82 ARG QD 1 83 ARG H 4.610 . 5.110 4.025 3.548 4.177 . 0 0 "[ . 1 . 2]" 1
1057 1 83 ARG H 1 83 ARG HB2 3.810 . 4.310 2.814 2.336 3.698 . 0 0 "[ . 1 . 2]" 1
1058 1 83 ARG H 1 83 ARG QB 3.430 . 3.930 2.500 2.309 2.808 . 0 0 "[ . 1 . 2]" 1
1059 1 83 ARG H 1 83 ARG HB3 3.810 . 4.310 3.404 2.711 3.754 . 0 0 "[ . 1 . 2]" 1
1060 1 83 ARG H 1 83 ARG QD 5.010 . 5.510 4.032 3.141 4.467 . 0 0 "[ . 1 . 2]" 1
1061 1 83 ARG H 1 83 ARG HG2 4.180 . 4.680 3.090 2.002 4.246 . 0 0 "[ . 1 . 2]" 1
1062 1 83 ARG H 1 83 ARG QG 4.100 . 4.600 2.553 1.974 3.453 . 0 0 "[ . 1 . 2]" 1
1063 1 83 ARG H 1 83 ARG HG3 4.180 . 4.680 3.239 2.637 4.203 . 0 0 "[ . 1 . 2]" 1
1064 1 83 ARG HA 1 84 ILE H 2.500 . 3.000 2.088 1.994 2.199 . 0 0 "[ . 1 . 2]" 1
1065 1 83 ARG QB 1 84 ILE H 4.920 . 5.420 3.403 2.854 3.706 . 0 0 "[ . 1 . 2]" 1
1066 1 84 ILE H 1 84 ILE HB 4.130 . 4.630 3.709 3.625 3.881 . 0 0 "[ . 1 . 2]" 1
1067 1 84 ILE H 1 84 ILE MD 4.970 . 5.470 3.952 3.842 4.148 . 0 0 "[ . 1 . 2]" 1
1068 1 84 ILE H 1 84 ILE HG12 3.460 . 3.960 2.426 2.257 2.759 . 0 0 "[ . 1 . 2]" 1
1069 1 84 ILE H 1 84 ILE HG13 4.080 . 4.580 3.219 2.817 3.372 . 0 0 "[ . 1 . 2]" 1
1070 1 84 ILE H 1 84 ILE MG 4.310 . 4.810 2.352 2.088 2.866 . 0 0 "[ . 1 . 2]" 1
1071 1 84 ILE HA 1 85 ARG H 3.300 . 3.800 2.446 2.377 2.520 . 0 0 "[ . 1 . 2]" 1
1072 1 84 ILE HB 1 85 ARG H 3.410 . 3.910 2.162 2.098 2.351 . 0 0 "[ . 1 . 2]" 1
1073 1 84 ILE HG12 1 86 VAL MG2 6.440 . 6.940 4.054 3.931 4.326 . 0 0 "[ . 1 . 2]" 1
1074 1 84 ILE HG13 1 85 ARG H 4.620 . 5.120 3.290 3.141 3.498 . 0 0 "[ . 1 . 2]" 1
1075 1 84 ILE HG13 1 86 VAL MG2 4.340 . 4.840 2.844 2.671 3.356 . 0 0 "[ . 1 . 2]" 1
1076 1 84 ILE MG 1 85 ARG H 4.770 . 5.270 3.672 3.606 3.747 . 0 0 "[ . 1 . 2]" 1
1077 1 85 ARG H 1 85 ARG HB2 4.040 . 4.540 3.099 2.748 3.301 . 0 0 "[ . 1 . 2]" 1
1078 1 85 ARG H 1 85 ARG HB3 4.040 . 4.540 3.060 2.613 3.880 . 0 0 "[ . 1 . 2]" 1
1079 1 85 ARG HA 1 86 VAL H 3.100 . 3.600 2.287 2.258 2.321 . 0 0 "[ . 1 . 2]" 1
1080 1 85 ARG HA 1 86 VAL MG2 5.620 . 6.120 3.455 3.234 3.599 . 0 0 "[ . 1 . 2]" 1
1081 1 85 ARG QG 1 86 VAL H 4.690 . 5.190 2.805 2.315 4.229 . 0 0 "[ . 1 . 2]" 1
1082 1 86 VAL H 1 86 VAL HB 3.600 . 4.100 2.883 2.826 2.948 . 0 0 "[ . 1 . 2]" 1
1083 1 86 VAL H 1 86 VAL MG2 4.280 . 4.780 2.991 2.925 3.036 . 0 0 "[ . 1 . 2]" 1
1084 1 86 VAL HA 1 87 ASP H 3.260 . 3.760 2.166 2.143 2.198 . 0 0 "[ . 1 . 2]" 1
1085 1 86 VAL MG1 1 87 ASP H 4.610 . 5.110 2.615 2.560 2.759 . 0 0 "[ . 1 . 2]" 1
1086 1 86 VAL MG2 1 87 ASP H 5.460 . 5.960 4.082 4.039 4.182 . 0 0 "[ . 1 . 2]" 1
1087 1 87 ASP HA 1 88 PHE H 3.210 . 3.710 2.391 2.298 2.548 . 0 0 "[ . 1 . 2]" 1
1088 1 87 ASP QB 1 88 PHE H 4.330 . 4.830 3.175 2.483 3.426 . 0 0 "[ . 1 . 2]" 1
1089 1 87 ASP HB2 1 88 PHE H 4.600 . 5.100 3.948 3.821 4.051 . 0 0 "[ . 1 . 2]" 1
1090 1 87 ASP HB3 1 88 PHE H 4.600 . 5.100 3.382 2.516 3.702 . 0 0 "[ . 1 . 2]" 1
1091 1 88 PHE H 1 88 PHE HB2 4.120 . 4.620 2.476 2.413 2.545 . 0 0 "[ . 1 . 2]" 1
1092 1 88 PHE H 1 88 PHE HB3 4.120 . 4.620 3.580 3.542 3.601 . 0 0 "[ . 1 . 2]" 1
1093 1 88 PHE H 1 88 PHE QD 4.530 . 5.030 2.522 2.289 2.767 . 0 0 "[ . 1 . 2]" 1
1094 1 88 PHE HA 1 89 SER H 3.320 . 3.820 2.233 2.151 2.323 . 0 0 "[ . 1 . 2]" 1
1095 1 88 PHE QB 1 89 SER H 4.370 . 4.870 2.871 2.635 3.368 . 0 0 "[ . 1 . 2]" 1
1096 1 88 PHE HB2 1 89 SER H 4.500 . 5.000 4.004 3.803 4.306 . 0 0 "[ . 1 . 2]" 1
1097 1 88 PHE HB3 1 89 SER H 4.500 . 5.000 2.944 2.687 3.517 . 0 0 "[ . 1 . 2]" 1
1098 1 88 PHE QD 1 89 SER H 5.170 . 5.670 3.836 3.486 4.212 . 0 0 "[ . 1 . 2]" 1
1099 1 89 SER H 1 89 SER HB2 4.040 . 4.540 3.163 2.491 3.891 . 0 0 "[ . 1 . 2]" 1
1100 1 89 SER H 1 89 SER HB3 4.040 . 4.540 3.206 2.441 3.928 . 0 0 "[ . 1 . 2]" 1
1101 1 90 ILE H 1 90 ILE HB 4.020 . 4.520 3.625 2.390 3.957 . 0 0 "[ . 1 . 2]" 1
1102 1 90 ILE H 1 90 ILE HG12 4.530 . 5.030 2.956 2.035 4.583 . 0 0 "[ . 1 . 2]" 1
1103 1 90 ILE H 1 90 ILE HG13 4.530 . 5.030 3.267 2.926 4.633 . 0 0 "[ . 1 . 2]" 1
1104 1 93 ARG HA 1 93 ARG QD 4.840 . 5.340 3.612 2.174 4.353 . 0 0 "[ . 1 . 2]" 1
1105 1 93 ARG HA 1 94 PRO HD2 3.460 . 3.960 2.395 2.099 2.746 . 0 0 "[ . 1 . 2]" 1
1106 1 93 ARG HA 1 94 PRO QD 3.360 . 3.860 2.106 2.018 2.170 . 0 0 "[ . 1 . 2]" 1
1107 1 93 ARG HA 1 94 PRO HD3 3.460 . 3.960 2.395 2.076 2.700 . 0 0 "[ . 1 . 2]" 1
1108 1 93 ARG QB 1 94 PRO QD 5.180 . 5.680 3.133 2.241 3.893 . 0 0 "[ . 1 . 2]" 1
1109 1 93 ARG QG 1 94 PRO QD 5.470 . 5.970 3.000 2.159 3.997 . 0 0 "[ . 1 . 2]" 1
1110 1 95 HIS QB 1 96 THR H 4.680 . 5.180 3.342 2.345 4.032 . 0 0 "[ . 1 . 2]" 1
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