NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
558376 |
2m1e   |
18859 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m1e
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 653
_Distance_constraint_stats_list.Viol_count 5
_Distance_constraint_stats_list.Viol_total 11.509
_Distance_constraint_stats_list.Viol_max 0.164
_Distance_constraint_stats_list.Viol_rms 0.0025
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.1151
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 SER 0.574 0.164 7 0 "[ . 1 . 2]"
1 10 ILE 0.574 0.164 7 0 "[ . 1 . 2]"
1 11 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 GLN 0.002 0.002 1 0 "[ . 1 . 2]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 2 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 3 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
2 4 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
2 5 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 7 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 8 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 9 SER 0.000 0.000 . 0 "[ . 1 . 2]"
2 10 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 12 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 14 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
2 19 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
2 22 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
2 24 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 25 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
2 26 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
2 27 THR 0.000 0.000 . 0 "[ . 1 . 2]"
2 28 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
2 29 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
2 30 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 1 GLY QA 1 2 ILE H 3.130 . 3.630 2.241 2.119 2.365 . 0 0 "[ . 1 . 2]" 1
2 1 1 GLY QA 1 19 TYR QE 4.500 . 5.000 3.359 2.400 3.588 . 0 0 "[ . 1 . 2]" 1
3 1 2 ILE H 1 2 ILE HG12 4.960 . 5.460 4.550 4.488 4.650 . 0 0 "[ . 1 . 2]" 1
4 1 2 ILE H 1 2 ILE QG 4.870 . 5.370 3.971 3.891 4.102 . 0 0 "[ . 1 . 2]" 1
5 1 2 ILE H 1 2 ILE HG13 4.960 . 5.460 4.377 4.233 4.561 . 0 0 "[ . 1 . 2]" 1
6 1 2 ILE H 1 2 ILE MG 4.230 . 4.730 2.124 1.961 2.319 . 0 0 "[ . 1 . 2]" 1
7 1 2 ILE H 1 3 VAL H 4.100 . 4.600 2.760 2.534 2.909 . 0 0 "[ . 1 . 2]" 1
8 1 2 ILE H 1 3 VAL HB 5.050 . 5.550 4.994 4.776 5.071 . 0 0 "[ . 1 . 2]" 1
9 1 2 ILE H 1 3 VAL MG1 6.510 . 7.010 4.123 3.775 4.391 . 0 0 "[ . 1 . 2]" 1
10 1 2 ILE H 1 5 GLN QB 6.190 . 6.690 5.427 4.688 5.546 . 0 0 "[ . 1 . 2]" 1
11 1 2 ILE H 1 19 TYR QD 5.550 . 6.050 4.839 3.984 4.976 . 0 0 "[ . 1 . 2]" 1
12 1 2 ILE H 1 19 TYR QE 4.570 . 5.070 3.317 2.714 3.610 . 0 0 "[ . 1 . 2]" 1
13 1 2 ILE HA 1 19 TYR QE 4.380 . 4.880 3.742 3.447 3.919 . 0 0 "[ . 1 . 2]" 1
14 1 2 ILE HB 1 19 TYR QD 5.710 . 6.210 3.638 3.312 3.793 . 0 0 "[ . 1 . 2]" 1
15 1 2 ILE HB 1 19 TYR QE 5.700 . 6.200 2.908 2.715 3.040 . 0 0 "[ . 1 . 2]" 1
16 1 2 ILE MD 1 5 GLN QB 6.710 . 7.210 4.598 2.391 4.997 . 0 0 "[ . 1 . 2]" 1
17 1 2 ILE MD 1 16 LEU CG 7.720 . 8.220 3.871 3.659 4.058 . 0 0 "[ . 1 . 2]" 1
18 1 2 ILE MD 1 16 LEU HA 5.000 . 5.500 2.790 2.312 3.639 . 0 0 "[ . 1 . 2]" 1
19 1 2 ILE MD 1 19 TYR QB 5.190 . 5.690 3.152 2.795 3.878 . 0 0 "[ . 1 . 2]" 1
20 1 2 ILE MD 1 19 TYR QD 4.910 . 5.410 2.729 2.497 3.277 . 0 0 "[ . 1 . 2]" 1
21 1 2 ILE MD 1 19 TYR QE 6.590 . 7.090 3.065 2.161 3.736 . 0 0 "[ . 1 . 2]" 1
22 1 2 ILE MD 2 11 LEU CG 6.240 . 6.740 3.663 3.050 5.078 . 0 0 "[ . 1 . 2]" 1
23 1 2 ILE QG 1 19 TYR QD 5.150 . 5.650 3.864 3.643 4.102 . 0 0 "[ . 1 . 2]" 1
24 1 2 ILE QG 1 19 TYR QE 5.000 . 5.500 3.110 2.654 3.991 . 0 0 "[ . 1 . 2]" 1
25 1 2 ILE QG 2 11 LEU CG 6.300 . 6.800 3.788 3.116 4.636 . 0 0 "[ . 1 . 2]" 1
26 1 2 ILE QG 2 15 LEU CG 7.710 . 8.210 5.500 3.988 6.166 . 0 0 "[ . 1 . 2]" 1
27 1 2 ILE MG 1 3 VAL CB 6.390 . 6.890 3.818 3.590 4.108 . 0 0 "[ . 1 . 2]" 1
28 1 2 ILE MG 1 3 VAL H 4.430 . 4.930 2.324 2.169 2.554 . 0 0 "[ . 1 . 2]" 1
29 1 2 ILE MG 1 6 CYS H 5.970 . 6.470 4.820 4.496 4.990 . 0 0 "[ . 1 . 2]" 1
30 1 2 ILE MG 1 19 TYR QD 6.170 . 6.670 3.950 3.711 4.148 . 0 0 "[ . 1 . 2]" 1
31 1 2 ILE MG 1 19 TYR QE 5.140 . 5.640 3.804 3.617 3.836 . 0 0 "[ . 1 . 2]" 1
32 1 2 ILE MG 2 15 LEU CG 6.730 . 7.230 4.925 3.802 5.448 . 0 0 "[ . 1 . 2]" 1
33 1 2 ILE MG 2 26 TYR HA 6.210 . 6.710 2.863 2.265 3.502 . 0 0 "[ . 1 . 2]" 1
34 1 3 VAL CB 1 7 CYS H 6.900 . 7.400 4.808 4.555 6.461 . 0 0 "[ . 1 . 2]" 1
35 1 3 VAL CB 1 7 CYS QB 6.340 . 6.840 3.757 3.491 5.138 . 0 0 "[ . 1 . 2]" 1
36 1 3 VAL CB 2 7 CYS HA 7.300 . 7.800 5.250 4.611 6.866 . 0 0 "[ . 1 . 2]" 1
37 1 3 VAL H 1 3 VAL HB 3.160 . 3.660 2.437 2.357 2.528 . 0 0 "[ . 1 . 2]" 1
38 1 3 VAL H 1 3 VAL MG1 4.530 . 5.030 2.233 2.129 2.352 . 0 0 "[ . 1 . 2]" 1
39 1 3 VAL H 1 3 VAL MG2 4.530 . 5.030 3.774 3.750 3.788 . 0 0 "[ . 1 . 2]" 1
40 1 3 VAL H 2 11 LEU CG 7.640 . 8.140 5.626 5.280 6.257 . 0 0 "[ . 1 . 2]" 1
41 1 3 VAL HA 1 6 CYS H 4.300 . 4.800 3.375 3.104 4.225 . 0 0 "[ . 1 . 2]" 1
42 1 3 VAL HA 1 7 CYS H 4.610 . 5.110 3.127 2.916 4.424 . 0 0 "[ . 1 . 2]" 1
43 1 3 VAL HA 2 11 LEU CG 6.190 . 6.690 4.420 3.995 5.136 . 0 0 "[ . 1 . 2]" 1
44 1 5 GLN H 1 5 GLN QB 3.420 . 3.920 2.504 2.365 2.663 . 0 0 "[ . 1 . 2]" 1
45 1 5 GLN H 1 5 GLN HG2 4.990 . 5.490 4.166 2.760 4.949 . 0 0 "[ . 1 . 2]" 1
46 1 5 GLN H 1 5 GLN QG 4.840 . 5.340 3.398 2.714 4.200 . 0 0 "[ . 1 . 2]" 1
47 1 5 GLN H 1 5 GLN HG3 4.990 . 5.490 3.828 2.895 4.713 . 0 0 "[ . 1 . 2]" 1
48 1 5 GLN H 2 11 LEU CG 7.640 . 8.140 7.061 6.484 7.398 . 0 0 "[ . 1 . 2]" 1
49 1 5 GLN HA 1 8 THR H 4.570 . 5.070 4.500 4.166 4.648 . 0 0 "[ . 1 . 2]" 1
50 1 5 GLN HA 1 8 THR MG 6.180 . 6.680 4.996 4.631 5.165 . 0 0 "[ . 1 . 2]" 1
51 1 5 GLN QB 1 6 CYS H 3.470 . 3.970 2.527 2.272 3.097 . 0 0 "[ . 1 . 2]" 1
52 1 5 GLN QG 1 6 CYS H 5.420 . 5.920 3.991 3.197 4.424 . 0 0 "[ . 1 . 2]" 1
53 1 6 CYS H 2 11 LEU CG 6.340 . 6.840 5.721 5.060 6.130 . 0 0 "[ . 1 . 2]" 1
54 1 6 CYS HA 1 10 ILE HA 4.270 . 4.770 3.287 2.662 3.994 . 0 0 "[ . 1 . 2]" 1
55 1 6 CYS HA 1 10 ILE MG 5.810 . 6.310 4.692 4.137 4.901 . 0 0 "[ . 1 . 2]" 1
56 1 6 CYS HA 2 11 LEU CG 6.870 . 7.370 6.549 6.284 6.870 . 0 0 "[ . 1 . 2]" 1
57 1 6 CYS QB 1 7 CYS H 4.880 . 5.380 3.080 2.801 3.333 . 0 0 "[ . 1 . 2]" 1
58 1 7 CYS H 1 7 CYS HB2 3.700 . 4.200 2.818 2.419 3.073 . 0 0 "[ . 1 . 2]" 1
59 1 7 CYS H 1 7 CYS QB 3.510 . 4.010 2.326 2.198 2.423 . 0 0 "[ . 1 . 2]" 1
60 1 7 CYS H 1 7 CYS HB3 3.700 . 4.200 2.492 2.356 2.574 . 0 0 "[ . 1 . 2]" 1
61 1 7 CYS H 2 11 LEU CG 7.640 . 8.140 5.950 5.505 6.364 . 0 0 "[ . 1 . 2]" 1
62 1 7 CYS HA 1 8 THR HA 4.840 . 5.340 4.796 4.704 4.855 . 0 0 "[ . 1 . 2]" 1
63 1 7 CYS HA 2 5 HIS HA 4.480 . 4.980 3.099 2.404 3.514 . 0 0 "[ . 1 . 2]" 1
64 1 7 CYS HA 2 5 HIS QB 5.080 . 5.580 3.370 2.817 4.140 . 0 0 "[ . 1 . 2]" 1
65 1 7 CYS HA 2 6 LEU H 4.000 . 4.500 3.818 3.254 4.022 . 0 0 "[ . 1 . 2]" 1
66 1 7 CYS HA 2 7 CYS QB 4.990 . 5.490 3.843 2.445 4.460 . 0 0 "[ . 1 . 2]" 1
67 1 7 CYS HA 2 11 LEU CG 7.640 . 8.140 6.671 6.136 7.185 . 0 0 "[ . 1 . 2]" 1
68 1 7 CYS QB 1 8 THR H 3.980 . 4.480 2.692 2.510 2.933 . 0 0 "[ . 1 . 2]" 1
69 1 7 CYS QB 1 9 SER H 5.990 . 6.490 4.721 4.478 5.080 . 0 0 "[ . 1 . 2]" 1
70 1 7 CYS QB 2 7 CYS HA 4.130 . 4.630 2.560 2.434 2.987 . 0 0 "[ . 1 . 2]" 1
71 1 7 CYS HB2 1 8 THR H 4.200 . 4.700 3.991 3.809 4.090 . 0 0 "[ . 1 . 2]" 1
72 1 7 CYS HB3 1 8 THR H 4.200 . 4.700 2.738 2.540 3.006 . 0 0 "[ . 1 . 2]" 1
73 1 8 THR H 1 8 THR HB 3.710 . 4.210 3.123 2.454 3.622 . 0 0 "[ . 1 . 2]" 1
74 1 8 THR H 1 8 THR MG 4.530 . 5.030 3.021 2.315 3.793 . 0 0 "[ . 1 . 2]" 1
75 1 8 THR H 1 9 SER H 4.180 . 4.680 2.513 2.326 2.702 . 0 0 "[ . 1 . 2]" 1
76 1 8 THR HB 1 9 SER QB 5.190 . 5.690 4.090 3.736 4.630 . 0 0 "[ . 1 . 2]" 1
77 1 8 THR MG 1 9 SER H 5.670 . 6.170 3.927 3.654 4.131 . 0 0 "[ . 1 . 2]" 1
78 1 9 SER HB2 1 10 ILE H 4.540 . 5.040 3.391 2.098 3.765 . 0 0 "[ . 1 . 2]" 1
79 1 9 SER HB3 1 10 ILE H 3.740 . 4.240 3.115 2.076 4.404 0.164 7 0 "[ . 1 . 2]" 1
80 1 10 ILE H 1 10 ILE HB 3.960 . 4.460 2.904 2.506 3.805 . 0 0 "[ . 1 . 2]" 1
81 1 10 ILE H 1 10 ILE MD 5.440 . 5.940 3.836 2.692 4.526 . 0 0 "[ . 1 . 2]" 1
82 1 10 ILE H 1 10 ILE QG 4.390 . 4.890 2.675 2.149 3.162 . 0 0 "[ . 1 . 2]" 1
83 1 10 ILE HA 1 10 ILE HG12 4.050 . 4.550 2.902 2.389 3.363 . 0 0 "[ . 1 . 2]" 1
84 1 10 ILE HA 1 10 ILE HG13 4.050 . 4.550 3.521 3.075 3.870 . 0 0 "[ . 1 . 2]" 1
85 1 10 ILE MD 2 3 ASN H 6.680 . 7.180 5.431 4.869 5.582 . 0 0 "[ . 1 . 2]" 1
86 1 10 ILE MD 2 3 ASN HA 6.610 . 7.110 4.533 4.081 5.051 . 0 0 "[ . 1 . 2]" 1
87 1 10 ILE MD 2 3 ASN QB 5.770 . 6.270 3.897 3.379 4.137 . 0 0 "[ . 1 . 2]" 1
88 1 10 ILE MD 2 4 GLN H 5.250 . 5.750 4.268 3.959 4.391 . 0 0 "[ . 1 . 2]" 1
89 1 10 ILE MD 2 4 GLN HA 4.440 . 4.940 2.545 2.074 3.141 . 0 0 "[ . 1 . 2]" 1
90 1 10 ILE MD 2 4 GLN QG 6.810 . 7.310 4.269 3.048 5.039 . 0 0 "[ . 1 . 2]" 1
91 1 10 ILE MD 2 5 HIS H 5.400 . 5.900 2.412 1.816 4.532 . 0 0 "[ . 1 . 2]" 1
92 1 10 ILE MD 2 5 HIS HD2 5.370 . 5.870 2.998 2.544 4.478 . 0 0 "[ . 1 . 2]" 1
93 1 10 ILE MG 1 11 CYS H 5.150 . 5.650 2.320 2.082 2.802 . 0 0 "[ . 1 . 2]" 1
94 1 10 ILE MG 1 12 SER HA 6.020 . 6.520 4.702 4.314 4.970 . 0 0 "[ . 1 . 2]" 1
95 1 10 ILE MG 2 3 ASN H 6.610 . 7.110 4.616 4.169 4.893 . 0 0 "[ . 1 . 2]" 1
96 1 10 ILE MG 2 3 ASN HA 5.030 . 5.530 3.100 2.451 4.208 . 0 0 "[ . 1 . 2]" 1
97 1 10 ILE MG 2 3 ASN QB 5.040 . 5.540 2.293 2.142 2.782 . 0 0 "[ . 1 . 2]" 1
98 1 10 ILE MG 2 3 ASN HD21 6.610 . 7.110 4.324 2.825 5.184 . 0 0 "[ . 1 . 2]" 1
99 1 10 ILE MG 2 4 GLN H 5.280 . 5.780 3.914 3.239 4.417 . 0 0 "[ . 1 . 2]" 1
100 1 10 ILE MG 2 4 GLN HA 4.840 . 5.340 3.697 3.357 4.044 . 0 0 "[ . 1 . 2]" 1
101 1 10 ILE MG 2 4 GLN QG 7.200 . 7.700 4.651 3.777 5.359 . 0 0 "[ . 1 . 2]" 1
102 1 10 ILE MG 2 5 HIS H 5.760 . 6.260 3.163 2.267 4.733 . 0 0 "[ . 1 . 2]" 1
103 1 12 SER H 1 12 SER HB2 3.770 . 4.270 3.262 2.448 3.720 . 0 0 "[ . 1 . 2]" 1
104 1 12 SER H 1 12 SER QB 3.650 . 4.150 2.580 2.304 2.922 . 0 0 "[ . 1 . 2]" 1
105 1 12 SER H 1 12 SER HB3 3.770 . 4.270 2.814 2.475 3.676 . 0 0 "[ . 1 . 2]" 1
106 1 12 SER H 1 15 GLN H 4.250 . 4.750 3.773 3.377 4.259 . 0 0 "[ . 1 . 2]" 1
107 1 12 SER H 1 15 GLN HG2 4.410 . 4.910 3.595 2.064 4.404 . 0 0 "[ . 1 . 2]" 1
108 1 12 SER H 1 15 GLN QG 4.120 . 4.620 2.744 2.011 3.678 . 0 0 "[ . 1 . 2]" 1
109 1 12 SER H 1 15 GLN HG3 4.410 . 4.910 3.029 2.454 4.156 . 0 0 "[ . 1 . 2]" 1
110 1 12 SER HA 1 13 LEU H 3.270 . 3.770 2.273 2.130 2.363 . 0 0 "[ . 1 . 2]" 1
111 1 12 SER HA 1 13 LEU HA 4.680 . 5.180 4.321 4.254 4.376 . 0 0 "[ . 1 . 2]" 1
112 1 12 SER HA 1 13 LEU QB 4.750 . 5.250 4.257 4.239 4.279 . 0 0 "[ . 1 . 2]" 1
113 1 12 SER HA 1 13 LEU MD1 6.610 . 7.110 5.419 3.501 5.552 . 0 0 "[ . 1 . 2]" 1
114 1 12 SER HA 1 13 LEU MD2 6.610 . 7.110 3.623 3.209 5.535 . 0 0 "[ . 1 . 2]" 1
115 1 12 SER HA 1 14 TYR H 4.220 . 4.720 4.183 3.884 4.252 . 0 0 "[ . 1 . 2]" 1
116 1 12 SER HA 1 15 GLN H 5.170 . 5.670 4.684 4.442 4.839 . 0 0 "[ . 1 . 2]" 1
117 1 12 SER HA 1 15 GLN QG 5.310 . 5.810 4.711 4.341 4.760 . 0 0 "[ . 1 . 2]" 1
118 1 12 SER HA 1 16 LEU CG 6.980 . 7.480 5.896 5.373 6.383 . 0 0 "[ . 1 . 2]" 1
119 1 12 SER HA 2 3 ASN QB 5.690 . 6.190 4.077 2.664 5.082 . 0 0 "[ . 1 . 2]" 1
120 1 12 SER HA 2 3 ASN QD 5.990 . 6.490 4.395 2.536 5.363 . 0 0 "[ . 1 . 2]" 1
121 1 12 SER QB 1 13 LEU H 4.420 . 4.920 3.037 2.375 3.758 . 0 0 "[ . 1 . 2]" 1
122 1 12 SER QB 1 14 TYR H 4.490 . 4.990 3.089 2.654 3.732 . 0 0 "[ . 1 . 2]" 1
123 1 12 SER QB 1 14 TYR QD 5.170 . 5.670 3.282 2.600 4.040 . 0 0 "[ . 1 . 2]" 1
124 1 12 SER QB 1 15 GLN QE 6.530 . 7.030 4.417 3.084 5.199 . 0 0 "[ . 1 . 2]" 1
125 1 12 SER QB 1 15 GLN QG 5.250 . 5.750 2.970 2.145 4.076 . 0 0 "[ . 1 . 2]" 1
126 1 12 SER HB2 1 13 LEU H 4.590 . 5.090 3.417 2.400 4.157 . 0 0 "[ . 1 . 2]" 1
127 1 12 SER HB3 1 13 LEU H 4.590 . 5.090 3.772 2.640 4.288 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU CG 1 14 TYR H 7.070 . 7.570 3.261 3.155 3.600 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU CG 1 14 TYR HA 5.510 . 6.010 4.617 4.471 5.000 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU CG 1 14 TYR QD 7.800 . 8.300 4.325 4.119 4.720 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU CG 1 14 TYR QE 8.310 . 8.810 4.340 4.200 4.527 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU CG 2 1 PHE QB 5.860 . 6.360 4.303 3.079 5.193 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU CG 2 1 PHE QD 5.950 . 6.450 4.534 3.692 4.793 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU H 1 13 LEU HB2 3.880 . 4.380 3.540 3.503 3.596 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU H 1 13 LEU HB3 3.880 . 4.380 2.338 2.268 2.476 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU H 1 13 LEU MD1 5.300 . 5.800 3.640 1.892 3.797 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU H 1 13 LEU MD2 5.300 . 5.800 2.112 1.960 3.662 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU H 1 14 TYR H 3.790 . 4.290 2.879 2.762 2.989 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU H 1 14 TYR HA 5.590 . 6.090 5.494 5.419 5.577 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU H 1 14 TYR HB2 5.310 . 5.810 5.198 5.016 5.312 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU H 1 14 TYR QD 6.170 . 6.670 4.754 4.360 4.918 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU H 1 16 LEU MD1 5.800 . 6.300 4.661 4.167 4.855 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU H 1 16 LEU MD2 6.700 . 7.200 5.538 5.182 5.606 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU H 2 1 PHE HB2 5.500 . 6.000 5.204 4.238 5.514 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU H 2 1 PHE QB 5.370 . 5.870 4.424 3.085 4.804 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU H 2 1 PHE HB3 5.500 . 6.000 4.892 3.169 5.519 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU H 2 1 PHE QD 5.410 . 5.910 3.701 2.929 4.464 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU H 2 18 VAL CB 7.640 . 8.140 7.081 6.691 7.485 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU HA 1 15 GLN H 4.440 . 4.940 3.988 3.896 4.152 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU HA 1 16 LEU CG 5.810 . 6.310 3.091 2.874 3.229 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU HA 1 16 LEU H 3.920 . 4.420 3.027 2.900 3.387 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU HA 1 16 LEU HB2 4.720 . 5.220 2.571 2.278 3.370 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU HA 1 16 LEU QB 4.610 . 5.110 2.545 2.263 3.301 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU HA 1 16 LEU HB3 4.720 . 5.220 4.102 3.858 4.720 . 0 0 "[ . 1 . 2]" 1
155 1 13 LEU HA 1 16 LEU MD1 4.500 . 5.000 2.790 2.308 3.112 . 0 0 "[ . 1 . 2]" 1
156 1 13 LEU HA 1 16 LEU MD2 4.900 . 5.400 4.042 3.890 4.119 . 0 0 "[ . 1 . 2]" 1
157 1 13 LEU HA 1 16 LEU HG 4.010 . 4.510 2.381 2.208 2.540 . 0 0 "[ . 1 . 2]" 1
158 1 13 LEU HA 1 17 GLU H 5.330 . 5.830 4.127 3.892 4.931 . 0 0 "[ . 1 . 2]" 1
159 1 13 LEU HA 2 1 PHE QD 5.590 . 6.090 4.538 3.848 4.994 . 0 0 "[ . 1 . 2]" 1
160 1 13 LEU HA 2 18 VAL CB 5.670 . 6.170 4.673 4.319 5.078 . 0 0 "[ . 1 . 2]" 1
161 1 13 LEU HA 2 18 VAL MG1 4.880 . 5.380 3.512 3.089 4.028 . 0 0 "[ . 1 . 2]" 1
162 1 13 LEU HA 2 18 VAL MG2 4.880 . 5.380 2.603 2.270 2.889 . 0 0 "[ . 1 . 2]" 1
163 1 13 LEU QB 1 14 TYR H 4.200 . 4.700 3.663 3.624 3.757 . 0 0 "[ . 1 . 2]" 1
164 1 13 LEU QB 1 14 TYR QD 6.730 . 7.230 4.976 4.869 5.122 . 0 0 "[ . 1 . 2]" 1
165 1 13 LEU QB 1 14 TYR QE 6.730 . 7.230 5.312 5.209 5.357 . 0 0 "[ . 1 . 2]" 1
166 1 13 LEU QB 1 16 LEU H 5.990 . 6.490 4.550 4.356 4.675 . 0 0 "[ . 1 . 2]" 1
167 1 13 LEU QB 1 17 GLU H 5.990 . 6.490 4.710 4.422 5.343 . 0 0 "[ . 1 . 2]" 1
168 1 13 LEU QB 2 1 PHE QB 6.190 . 6.690 3.219 2.394 3.563 . 0 0 "[ . 1 . 2]" 1
169 1 13 LEU QB 2 1 PHE QD 5.710 . 6.210 3.033 2.686 3.269 . 0 0 "[ . 1 . 2]" 1
170 1 13 LEU QB 2 1 PHE QE 6.730 . 7.230 3.276 3.023 3.899 . 0 0 "[ . 1 . 2]" 1
171 1 13 LEU QB 2 18 VAL CB 6.170 . 6.670 3.859 3.613 4.124 . 0 0 "[ . 1 . 2]" 1
172 1 13 LEU HB2 1 14 TYR H 4.250 . 4.750 4.119 4.057 4.193 . 0 0 "[ . 1 . 2]" 1
173 1 13 LEU HB3 1 14 TYR H 4.250 . 4.750 4.105 4.067 4.243 . 0 0 "[ . 1 . 2]" 1
174 1 13 LEU MD1 2 1 PHE QD 5.300 . 5.800 3.419 3.021 3.697 . 0 0 "[ . 1 . 2]" 1
175 1 13 LEU MD2 2 1 PHE QD 5.300 . 5.800 3.514 3.047 3.958 . 0 0 "[ . 1 . 2]" 1
176 1 14 TYR H 1 14 TYR HB2 2.980 . 3.480 2.547 2.483 2.598 . 0 0 "[ . 1 . 2]" 1
177 1 14 TYR H 1 14 TYR HB3 3.640 . 4.140 3.585 3.554 3.616 . 0 0 "[ . 1 . 2]" 1
178 1 14 TYR H 1 14 TYR QD 4.440 . 4.940 2.974 2.734 3.108 . 0 0 "[ . 1 . 2]" 1
179 1 14 TYR HA 1 14 TYR HB3 3.000 . 3.500 2.433 2.416 2.454 . 0 0 "[ . 1 . 2]" 1
180 1 14 TYR HA 1 14 TYR QD 3.820 . 4.320 2.363 2.251 2.444 . 0 0 "[ . 1 . 2]" 1
181 1 14 TYR HA 1 14 TYR QE 5.110 . 5.610 4.540 4.477 4.565 . 0 0 "[ . 1 . 2]" 1
182 1 14 TYR HA 1 17 GLU QG 4.480 . 4.980 3.379 2.839 3.669 . 0 0 "[ . 1 . 2]" 1
183 1 14 TYR HB2 1 15 GLN H 3.290 . 3.790 2.936 2.882 3.028 . 0 0 "[ . 1 . 2]" 1
184 1 14 TYR HB3 1 15 GLN H 3.970 . 4.470 3.986 3.973 3.999 . 0 0 "[ . 1 . 2]" 1
185 1 14 TYR QD 1 17 GLU QB 6.400 . 6.900 4.237 3.743 4.789 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLN H 1 15 GLN HG2 3.820 . 4.320 2.863 2.337 3.346 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLN H 1 15 GLN QG 3.680 . 4.180 2.278 2.140 2.462 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLN H 1 15 GLN HG3 3.320 . 3.820 2.982 2.166 3.822 0.002 1 0 "[ . 1 . 2]" 1
189 1 15 GLN H 1 16 LEU CG 7.640 . 8.140 4.997 4.771 5.175 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLN H 1 16 LEU H 3.590 . 4.090 2.426 2.368 2.501 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLN H 1 16 LEU QB 5.230 . 5.730 4.581 4.488 4.679 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLN H 1 16 LEU HG 4.710 . 5.210 4.179 3.870 4.383 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLN HA 1 15 GLN QE 5.460 . 5.960 4.138 3.090 4.912 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLN HA 1 15 GLN HG2 3.770 . 4.270 2.980 2.473 3.790 . 0 0 "[ . 1 . 2]" 1
195 1 15 GLN HA 1 15 GLN HG3 3.770 . 4.270 3.530 3.169 3.803 . 0 0 "[ . 1 . 2]" 1
196 1 15 GLN HA 1 18 ASN H 4.410 . 4.910 3.565 2.959 3.829 . 0 0 "[ . 1 . 2]" 1
197 1 15 GLN HA 1 18 ASN QB 4.220 . 4.720 3.064 2.401 3.478 . 0 0 "[ . 1 . 2]" 1
198 1 15 GLN HA 1 18 ASN QD 5.830 . 6.330 4.994 2.714 5.218 . 0 0 "[ . 1 . 2]" 1
199 1 15 GLN HG2 1 16 LEU H 5.400 . 5.900 4.637 3.406 5.119 . 0 0 "[ . 1 . 2]" 1
200 1 15 GLN HG3 1 16 LEU H 5.400 . 5.900 4.602 3.798 5.365 . 0 0 "[ . 1 . 2]" 1
201 1 16 LEU CG 1 17 GLU H 7.130 . 7.630 4.474 4.386 4.605 . 0 0 "[ . 1 . 2]" 1
202 1 16 LEU CG 1 18 ASN H 7.640 . 8.140 6.116 6.032 6.214 . 0 0 "[ . 1 . 2]" 1
203 1 16 LEU CG 1 19 TYR H 7.640 . 8.140 6.429 6.165 6.667 . 0 0 "[ . 1 . 2]" 1
204 1 16 LEU CG 1 19 TYR QD 6.670 . 7.170 5.422 4.822 5.713 . 0 0 "[ . 1 . 2]" 1
205 1 16 LEU CG 2 14 ALA H 7.170 . 7.670 7.136 6.953 7.221 . 0 0 "[ . 1 . 2]" 1
206 1 16 LEU CG 2 14 ALA HA 6.860 . 7.360 6.321 6.146 6.583 . 0 0 "[ . 1 . 2]" 1
207 1 16 LEU CG 2 14 ALA MB 5.850 . 6.350 4.073 3.937 4.219 . 0 0 "[ . 1 . 2]" 1
208 1 16 LEU CG 2 15 LEU CG 7.290 . 7.790 5.325 4.771 5.709 . 0 0 "[ . 1 . 2]" 1
209 1 16 LEU CG 2 15 LEU H 6.700 . 7.200 5.601 5.394 5.794 . 0 0 "[ . 1 . 2]" 1
210 1 16 LEU CG 2 15 LEU HA 5.430 . 5.930 4.318 4.026 4.553 . 0 0 "[ . 1 . 2]" 1
211 1 16 LEU CG 2 18 VAL CB 7.330 . 7.830 5.096 4.898 5.278 . 0 0 "[ . 1 . 2]" 1
212 1 16 LEU CG 2 18 VAL HB 5.500 . 6.000 4.634 4.386 4.886 . 0 0 "[ . 1 . 2]" 1
213 1 16 LEU H 1 16 LEU HB2 3.860 . 4.360 2.566 2.489 2.623 . 0 0 "[ . 1 . 2]" 1
214 1 16 LEU H 1 16 LEU HB3 3.860 . 4.360 3.645 3.620 3.696 . 0 0 "[ . 1 . 2]" 1
215 1 16 LEU H 1 16 LEU MD1 5.260 . 5.760 3.932 3.809 4.087 . 0 0 "[ . 1 . 2]" 1
216 1 16 LEU H 1 16 LEU MD2 5.260 . 5.760 3.049 2.742 3.540 . 0 0 "[ . 1 . 2]" 1
217 1 16 LEU H 1 16 LEU HG 4.510 . 5.010 2.489 2.289 2.746 . 0 0 "[ . 1 . 2]" 1
218 1 16 LEU H 1 18 ASN QB 5.990 . 6.490 4.887 4.463 5.137 . 0 0 "[ . 1 . 2]" 1
219 1 16 LEU H 2 15 LEU CG 7.540 . 8.040 7.147 6.755 7.517 . 0 0 "[ . 1 . 2]" 1
220 1 16 LEU H 2 18 VAL CB 7.640 . 8.140 6.039 5.735 6.362 . 0 0 "[ . 1 . 2]" 1
221 1 16 LEU HA 1 16 LEU HG 3.900 . 4.400 3.432 3.296 3.542 . 0 0 "[ . 1 . 2]" 1
222 1 16 LEU HA 1 18 ASN H 4.350 . 4.850 3.852 3.677 3.962 . 0 0 "[ . 1 . 2]" 1
223 1 16 LEU HA 1 19 TYR H 4.140 . 4.640 3.739 3.442 4.005 . 0 0 "[ . 1 . 2]" 1
224 1 16 LEU HA 1 19 TYR QB 5.760 . 6.260 3.679 3.286 4.029 . 0 0 "[ . 1 . 2]" 1
225 1 16 LEU HA 1 19 TYR QD 3.770 . 4.270 2.629 2.142 2.875 . 0 0 "[ . 1 . 2]" 1
226 1 16 LEU HA 1 19 TYR QE 4.680 . 5.180 4.076 3.438 4.219 . 0 0 "[ . 1 . 2]" 1
227 1 16 LEU HA 2 15 LEU CG 6.030 . 6.530 4.671 4.360 5.049 . 0 0 "[ . 1 . 2]" 1
228 1 16 LEU QB 1 17 GLU H 4.330 . 4.830 2.706 2.543 2.861 . 0 0 "[ . 1 . 2]" 1
229 1 16 LEU QB 1 18 ASN H 5.990 . 6.490 4.624 4.561 4.700 . 0 0 "[ . 1 . 2]" 1
230 1 16 LEU QB 2 15 LEU CG 6.700 . 7.200 3.805 3.379 4.116 . 0 0 "[ . 1 . 2]" 1
231 1 16 LEU HB2 1 17 GLU H 4.430 . 4.930 2.770 2.597 2.930 . 0 0 "[ . 1 . 2]" 1
232 1 16 LEU HB2 2 15 LEU HA 5.200 . 5.700 4.252 3.871 4.598 . 0 0 "[ . 1 . 2]" 1
233 1 16 LEU HB3 1 17 GLU H 4.430 . 4.930 3.798 3.621 4.007 . 0 0 "[ . 1 . 2]" 1
234 1 16 LEU HB3 2 15 LEU HA 5.200 . 5.700 2.871 2.661 3.189 . 0 0 "[ . 1 . 2]" 1
235 1 16 LEU MD1 2 14 ALA H 6.610 . 7.110 4.604 4.404 4.978 . 0 0 "[ . 1 . 2]" 1
236 1 16 LEU MD1 2 14 ALA MB 5.550 . 6.050 2.183 2.065 2.286 . 0 0 "[ . 1 . 2]" 1
237 1 16 LEU MD1 2 15 LEU H 6.610 . 7.110 3.420 3.130 4.004 . 0 0 "[ . 1 . 2]" 1
238 1 16 LEU MD1 2 15 LEU MD1 6.290 . 6.790 3.637 2.270 4.362 . 0 0 "[ . 1 . 2]" 1
239 1 16 LEU MD1 2 15 LEU MD2 6.290 . 6.790 3.095 2.203 4.376 . 0 0 "[ . 1 . 2]" 1
240 1 16 LEU MD2 2 14 ALA H 7.110 . 7.610 5.772 5.325 5.947 . 0 0 "[ . 1 . 2]" 1
241 1 16 LEU MD2 2 14 ALA MB 5.550 . 6.050 3.434 2.912 3.646 . 0 0 "[ . 1 . 2]" 1
242 1 16 LEU MD2 2 15 LEU H 6.610 . 7.110 4.487 4.020 4.811 . 0 0 "[ . 1 . 2]" 1
243 1 16 LEU MD2 2 15 LEU MD1 6.290 . 6.790 3.505 2.142 4.052 . 0 0 "[ . 1 . 2]" 1
244 1 16 LEU MD2 2 15 LEU MD2 6.290 . 6.790 2.649 2.073 3.949 . 0 0 "[ . 1 . 2]" 1
245 1 16 LEU HG 2 15 LEU HA 5.500 . 6.000 5.298 4.999 5.536 . 0 0 "[ . 1 . 2]" 1
246 1 17 GLU H 1 17 GLU QB 3.420 . 3.920 2.374 2.264 2.481 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLU H 1 17 GLU QG 3.920 . 4.420 2.502 2.220 2.660 . 0 0 "[ . 1 . 2]" 1
248 1 17 GLU H 1 18 ASN H 3.850 . 4.350 2.879 2.758 2.939 . 0 0 "[ . 1 . 2]" 1
249 1 17 GLU H 1 18 ASN QB 5.990 . 6.490 4.538 4.372 4.661 . 0 0 "[ . 1 . 2]" 1
250 1 17 GLU H 2 15 LEU CG 7.640 . 8.140 7.041 6.658 7.515 . 0 0 "[ . 1 . 2]" 1
251 1 17 GLU H 2 18 VAL CB 6.020 . 6.520 5.111 4.879 5.332 . 0 0 "[ . 1 . 2]" 1
252 1 17 GLU HA 1 17 GLU HG2 3.770 . 4.270 2.325 2.201 2.477 . 0 0 "[ . 1 . 2]" 1
253 1 17 GLU HA 1 17 GLU QG 3.680 . 4.180 2.252 2.157 2.393 . 0 0 "[ . 1 . 2]" 1
254 1 17 GLU HA 1 17 GLU HG3 3.770 . 4.270 3.033 2.844 3.273 . 0 0 "[ . 1 . 2]" 1
255 1 17 GLU HA 1 19 TYR H 4.360 . 4.860 3.637 3.366 3.995 . 0 0 "[ . 1 . 2]" 1
256 1 17 GLU HA 1 20 CYS H 4.460 . 4.960 3.217 3.022 3.536 . 0 0 "[ . 1 . 2]" 1
257 1 17 GLU HA 1 20 CYS QB 4.800 . 5.300 2.844 2.235 3.338 . 0 0 "[ . 1 . 2]" 1
258 1 17 GLU HA 2 18 VAL CB 5.640 . 6.140 5.158 4.845 5.304 . 0 0 "[ . 1 . 2]" 1
259 1 17 GLU QB 1 18 ASN H 4.150 . 4.650 3.071 2.853 3.244 . 0 0 "[ . 1 . 2]" 1
260 1 17 GLU HB2 1 18 ASN H 4.350 . 4.850 3.225 2.949 3.448 . 0 0 "[ . 1 . 2]" 1
261 1 17 GLU HB3 1 18 ASN H 4.350 . 4.850 3.874 3.716 4.005 . 0 0 "[ . 1 . 2]" 1
262 1 17 GLU QG 1 18 ASN H 5.750 . 6.250 4.470 4.235 4.581 . 0 0 "[ . 1 . 2]" 1
263 1 17 GLU QG 1 20 CYS QB 4.890 . 5.390 3.771 3.177 3.903 . 0 0 "[ . 1 . 2]" 1
264 1 17 GLU QG 2 18 VAL CB 6.120 . 6.620 4.010 3.834 4.266 . 0 0 "[ . 1 . 2]" 1
265 1 18 ASN H 1 18 ASN HB2 3.630 . 4.130 2.400 2.215 2.479 . 0 0 "[ . 1 . 2]" 1
266 1 18 ASN H 1 18 ASN HB3 3.630 . 4.130 2.560 2.384 3.505 . 0 0 "[ . 1 . 2]" 1
267 1 18 ASN H 1 18 ASN QD 5.110 . 5.610 4.231 2.398 4.466 . 0 0 "[ . 1 . 2]" 1
268 1 18 ASN H 1 19 TYR H 3.400 . 3.900 2.723 2.569 2.851 . 0 0 "[ . 1 . 2]" 1
269 1 18 ASN H 2 18 VAL CB 7.640 . 8.140 7.571 7.346 7.650 . 0 0 "[ . 1 . 2]" 1
270 1 18 ASN QB 1 19 TYR H 4.090 . 4.590 3.010 2.694 3.255 . 0 0 "[ . 1 . 2]" 1
271 1 18 ASN QB 1 19 TYR QE 4.780 . 5.280 2.919 2.747 3.160 . 0 0 "[ . 1 . 2]" 1
272 1 18 ASN HB2 1 19 TYR H 4.230 . 4.730 4.097 3.469 4.206 . 0 0 "[ . 1 . 2]" 1
273 1 18 ASN HB2 1 19 TYR QD 4.140 . 4.640 4.251 2.992 4.347 . 0 0 "[ . 1 . 2]" 1
274 1 18 ASN HB2 1 19 TYR QE 5.020 . 5.520 4.327 3.145 4.485 . 0 0 "[ . 1 . 2]" 1
275 1 18 ASN HB3 1 19 TYR H 4.230 . 4.730 3.122 2.738 3.938 . 0 0 "[ . 1 . 2]" 1
276 1 18 ASN HB3 1 19 TYR QD 4.840 . 5.340 2.799 2.606 3.692 . 0 0 "[ . 1 . 2]" 1
277 1 18 ASN HB3 1 19 TYR QE 5.020 . 5.520 2.993 2.784 3.604 . 0 0 "[ . 1 . 2]" 1
278 1 19 TYR H 1 19 TYR HB2 3.820 . 4.320 2.476 2.383 2.575 . 0 0 "[ . 1 . 2]" 1
279 1 19 TYR H 1 19 TYR HB3 3.820 . 4.320 3.663 3.607 3.732 . 0 0 "[ . 1 . 2]" 1
280 1 19 TYR H 1 19 TYR QD 4.300 . 4.800 2.413 2.241 2.524 . 0 0 "[ . 1 . 2]" 1
281 1 19 TYR H 1 19 TYR QE 5.100 . 5.600 4.504 4.216 4.563 . 0 0 "[ . 1 . 2]" 1
282 1 19 TYR H 1 20 CYS H 3.220 . 3.720 2.397 2.280 2.600 . 0 0 "[ . 1 . 2]" 1
283 1 19 TYR H 1 20 CYS QB 5.280 . 5.780 4.229 3.668 4.688 . 0 0 "[ . 1 . 2]" 1
284 1 19 TYR H 2 15 LEU CG 6.540 . 7.040 5.677 5.212 6.111 . 0 0 "[ . 1 . 2]" 1
285 1 19 TYR H 2 18 VAL CB 7.640 . 8.140 7.586 7.399 7.714 . 0 0 "[ . 1 . 2]" 1
286 1 19 TYR HA 1 19 TYR QD 3.870 . 4.370 3.042 2.916 3.133 . 0 0 "[ . 1 . 2]" 1
287 1 19 TYR QB 2 15 LEU CG 5.960 . 6.460 3.563 3.317 3.822 . 0 0 "[ . 1 . 2]" 1
288 1 19 TYR QB 2 24 PHE QD 6.480 . 6.980 4.131 3.720 4.456 . 0 0 "[ . 1 . 2]" 1
289 1 19 TYR HB2 2 15 LEU MD1 5.580 . 6.080 2.619 2.110 4.090 . 0 0 "[ . 1 . 2]" 1
290 1 19 TYR HB2 2 15 LEU MD2 5.580 . 6.080 2.361 1.995 2.688 . 0 0 "[ . 1 . 2]" 1
291 1 19 TYR HB3 2 15 LEU MD1 5.580 . 6.080 3.342 2.837 4.649 . 0 0 "[ . 1 . 2]" 1
292 1 19 TYR HB3 2 15 LEU MD2 5.580 . 6.080 3.224 2.510 3.755 . 0 0 "[ . 1 . 2]" 1
293 1 19 TYR QD 2 15 LEU CG 6.130 . 6.630 5.068 4.776 5.275 . 0 0 "[ . 1 . 2]" 1
294 1 19 TYR QD 2 15 LEU MD1 6.360 . 6.860 3.829 2.722 4.558 . 0 0 "[ . 1 . 2]" 1
295 1 19 TYR QD 2 15 LEU MD2 6.360 . 6.860 3.286 2.863 3.723 . 0 0 "[ . 1 . 2]" 1
296 1 19 TYR QD 2 15 LEU HG 5.620 . 6.120 4.993 4.712 5.062 . 0 0 "[ . 1 . 2]" 1
297 1 19 TYR QD 2 25 PHE H 5.130 . 5.630 4.386 3.909 4.603 . 0 0 "[ . 1 . 2]" 1
298 1 19 TYR QD 2 25 PHE QB 6.160 . 6.660 3.621 2.396 4.738 . 0 0 "[ . 1 . 2]" 1
299 1 19 TYR QD 2 26 TYR HA 4.750 . 5.250 3.672 2.707 4.234 . 0 0 "[ . 1 . 2]" 1
300 1 19 TYR QE 2 15 LEU MD2 6.800 . 7.300 4.742 4.413 5.045 . 0 0 "[ . 1 . 2]" 1
301 1 19 TYR QE 2 26 TYR HA 5.500 . 6.000 4.802 4.118 4.940 . 0 0 "[ . 1 . 2]" 1
302 1 19 TYR QE 2 27 THR MG 5.940 . 6.440 3.499 2.343 4.444 . 0 0 "[ . 1 . 2]" 1
303 1 20 CYS H 1 20 CYS HB2 4.180 . 4.680 2.571 2.450 2.843 . 0 0 "[ . 1 . 2]" 1
304 1 20 CYS H 1 20 CYS HB3 4.180 . 4.680 3.156 2.376 3.737 . 0 0 "[ . 1 . 2]" 1
305 1 20 CYS HA 1 21 ASN H 3.520 . 4.020 2.247 2.137 2.373 . 0 0 "[ . 1 . 2]" 1
306 1 20 CYS HA 2 24 PHE QB 4.670 . 5.170 2.418 2.219 2.795 . 0 0 "[ . 1 . 2]" 1
307 1 20 CYS QB 1 21 ASN H 4.090 . 4.590 3.005 2.394 3.647 . 0 0 "[ . 1 . 2]" 1
308 1 20 CYS HB2 1 21 ASN H 4.270 . 4.770 3.926 3.604 4.126 . 0 0 "[ . 1 . 2]" 1
309 1 20 CYS HB3 1 21 ASN H 4.270 . 4.770 3.184 2.430 4.090 . 0 0 "[ . 1 . 2]" 1
310 1 21 ASN H 1 21 ASN HB2 3.960 . 4.460 2.746 2.396 3.908 . 0 0 "[ . 1 . 2]" 1
311 1 21 ASN H 1 21 ASN HB3 3.960 . 4.460 2.679 2.274 3.686 . 0 0 "[ . 1 . 2]" 1
312 1 21 ASN H 2 24 PHE H 5.240 . 5.740 4.650 2.524 5.254 . 0 0 "[ . 1 . 2]" 1
313 1 21 ASN H 2 24 PHE HA 4.040 . 4.540 3.012 2.658 3.616 . 0 0 "[ . 1 . 2]" 1
314 2 1 PHE HA 2 2 VAL CB 6.170 . 6.670 4.679 4.524 4.812 . 0 0 "[ . 1 . 2]" 1
315 2 1 PHE HA 2 2 VAL H 3.200 . 3.700 2.375 2.212 2.462 . 0 0 "[ . 1 . 2]" 1
316 2 1 PHE QD 2 2 VAL H 5.440 . 5.940 2.992 2.679 3.995 . 0 0 "[ . 1 . 2]" 1
317 2 1 PHE QD 2 2 VAL HA 5.140 . 5.640 4.470 3.665 4.625 . 0 0 "[ . 1 . 2]" 1
318 2 1 PHE QD 2 3 ASN H 5.930 . 6.430 5.024 4.537 5.316 . 0 0 "[ . 1 . 2]" 1
319 2 1 PHE QD 2 18 VAL CB 6.420 . 6.920 5.252 4.672 5.763 . 0 0 "[ . 1 . 2]" 1
320 2 1 PHE QE 2 18 VAL CB 7.300 . 7.800 4.671 4.185 6.545 . 0 0 "[ . 1 . 2]" 1
321 2 2 VAL CB 2 3 ASN H 5.780 . 6.280 3.365 2.945 3.657 . 0 0 "[ . 1 . 2]" 1
322 2 2 VAL CB 2 3 ASN QD 8.120 . 8.620 5.623 4.875 6.227 . 0 0 "[ . 1 . 2]" 1
323 2 2 VAL CB 2 4 GLN H 7.640 . 8.140 4.324 3.849 4.710 . 0 0 "[ . 1 . 2]" 1
324 2 2 VAL CB 2 4 GLN QG 6.530 . 7.030 4.209 3.204 4.877 . 0 0 "[ . 1 . 2]" 1
325 2 2 VAL H 2 2 VAL HB 3.850 . 4.350 3.526 2.532 3.877 . 0 0 "[ . 1 . 2]" 1
326 2 2 VAL H 2 3 ASN H 4.550 . 5.050 4.434 4.288 4.558 . 0 0 "[ . 1 . 2]" 1
327 2 2 VAL HA 2 3 ASN H 2.740 . 3.240 2.110 2.046 2.358 . 0 0 "[ . 1 . 2]" 1
328 2 2 VAL HA 2 3 ASN HA 4.470 . 4.970 4.439 4.414 4.473 . 0 0 "[ . 1 . 2]" 1
329 2 2 VAL HA 2 3 ASN QD 4.950 . 5.450 4.061 3.202 4.458 . 0 0 "[ . 1 . 2]" 1
330 2 2 VAL HA 2 4 GLN H 4.620 . 5.120 4.380 3.404 4.650 . 0 0 "[ . 1 . 2]" 1
331 2 2 VAL HB 2 3 ASN H 4.080 . 4.580 3.316 2.352 4.119 . 0 0 "[ . 1 . 2]" 1
332 2 2 VAL MG1 2 3 ASN H 5.150 . 5.650 3.584 2.399 4.021 . 0 0 "[ . 1 . 2]" 1
333 2 2 VAL MG1 2 3 ASN HA 6.610 . 7.110 5.140 3.515 5.543 . 0 0 "[ . 1 . 2]" 1
334 2 2 VAL MG2 2 3 ASN H 5.150 . 5.650 3.827 2.395 4.316 . 0 0 "[ . 1 . 2]" 1
335 2 2 VAL MG2 2 3 ASN HA 6.610 . 7.110 4.437 3.783 5.555 . 0 0 "[ . 1 . 2]" 1
336 2 3 ASN H 2 3 ASN HD21 5.500 . 6.000 3.712 2.505 4.562 . 0 0 "[ . 1 . 2]" 1
337 2 3 ASN H 2 3 ASN QD 5.370 . 5.870 3.402 2.450 3.980 . 0 0 "[ . 1 . 2]" 1
338 2 3 ASN H 2 4 GLN H 3.340 . 3.840 2.876 2.158 3.350 . 0 0 "[ . 1 . 2]" 1
339 2 3 ASN H 2 4 GLN HA 5.450 . 5.950 4.603 4.225 4.810 . 0 0 "[ . 1 . 2]" 1
340 2 3 ASN H 2 4 GLN HB2 5.500 . 6.000 4.508 3.993 5.369 . 0 0 "[ . 1 . 2]" 1
341 2 3 ASN H 2 4 GLN HB3 5.700 . 6.200 4.924 3.750 5.513 . 0 0 "[ . 1 . 2]" 1
342 2 3 ASN HA 2 4 GLN H 3.160 . 3.660 2.653 2.318 3.124 . 0 0 "[ . 1 . 2]" 1
343 2 3 ASN HA 2 4 GLN HA 4.840 . 5.340 4.585 4.467 4.809 . 0 0 "[ . 1 . 2]" 1
344 2 3 ASN HA 2 4 GLN HB2 6.500 . 7.000 5.417 4.935 6.152 . 0 0 "[ . 1 . 2]" 1
345 2 3 ASN HA 2 4 GLN HB3 6.400 . 6.900 5.891 4.964 6.446 . 0 0 "[ . 1 . 2]" 1
346 2 3 ASN HA 2 4 GLN QG 5.320 . 5.820 4.333 3.950 4.757 . 0 0 "[ . 1 . 2]" 1
347 2 3 ASN HA 2 5 HIS H 4.840 . 5.340 4.401 3.988 4.870 . 0 0 "[ . 1 . 2]" 1
348 2 3 ASN HA 2 6 LEU CG 6.980 . 7.480 4.500 3.150 5.657 . 0 0 "[ . 1 . 2]" 1
349 2 3 ASN HA 2 6 LEU MD1 6.610 . 7.110 4.043 2.290 5.184 . 0 0 "[ . 1 . 2]" 1
350 2 3 ASN HA 2 6 LEU MD2 6.610 . 7.110 2.800 2.106 4.155 . 0 0 "[ . 1 . 2]" 1
351 2 3 ASN QB 2 4 GLN H 4.890 . 5.390 3.976 3.687 4.113 . 0 0 "[ . 1 . 2]" 1
352 2 3 ASN QB 2 4 GLN HA 5.460 . 5.960 4.677 4.243 4.870 . 0 0 "[ . 1 . 2]" 1
353 2 4 GLN H 2 4 GLN HB2 3.920 . 4.420 2.921 2.440 3.872 . 0 0 "[ . 1 . 2]" 1
354 2 4 GLN H 2 4 GLN HB3 3.920 . 4.420 3.630 3.005 3.857 . 0 0 "[ . 1 . 2]" 1
355 2 4 GLN H 2 5 HIS H 4.550 . 5.050 3.395 2.442 4.113 . 0 0 "[ . 1 . 2]" 1
356 2 4 GLN H 2 6 LEU CG 7.640 . 8.140 3.839 3.518 4.414 . 0 0 "[ . 1 . 2]" 1
357 2 4 GLN HA 2 4 GLN QG 3.790 . 4.290 2.749 2.354 3.394 . 0 0 "[ . 1 . 2]" 1
358 2 4 GLN HA 2 5 HIS H 3.500 . 4.000 2.523 2.220 3.542 . 0 0 "[ . 1 . 2]" 1
359 2 4 GLN HA 2 5 HIS HD2 4.050 . 4.550 3.856 3.544 4.059 . 0 0 "[ . 1 . 2]" 1
360 2 4 GLN QB 2 6 LEU CG 6.640 . 7.140 5.189 4.285 5.944 . 0 0 "[ . 1 . 2]" 1
361 2 4 GLN HB2 2 5 HIS H 4.660 . 5.160 4.419 3.560 4.546 . 0 0 "[ . 1 . 2]" 1
362 2 4 GLN HB3 2 5 HIS H 4.560 . 5.060 4.369 3.959 4.666 . 0 0 "[ . 1 . 2]" 1
363 2 4 GLN QG 2 5 HIS H 5.520 . 6.020 4.417 2.105 4.914 . 0 0 "[ . 1 . 2]" 1
364 2 4 GLN QG 2 6 LEU CG 6.710 . 7.210 5.534 3.938 6.024 . 0 0 "[ . 1 . 2]" 1
365 2 5 HIS H 2 5 HIS HB2 4.130 . 4.630 3.675 3.374 4.053 . 0 0 "[ . 1 . 2]" 1
366 2 5 HIS H 2 5 HIS HB3 4.030 . 4.530 3.566 2.839 4.108 . 0 0 "[ . 1 . 2]" 1
367 2 5 HIS H 2 5 HIS HD2 4.350 . 4.850 3.824 3.394 4.122 . 0 0 "[ . 1 . 2]" 1
368 2 5 HIS H 2 6 LEU CG 7.210 . 7.710 5.128 3.841 5.521 . 0 0 "[ . 1 . 2]" 1
369 2 5 HIS H 2 6 LEU H 5.090 . 5.590 3.108 2.510 3.361 . 0 0 "[ . 1 . 2]" 1
370 2 5 HIS HA 2 5 HIS HD2 4.880 . 5.380 4.407 4.057 4.654 . 0 0 "[ . 1 . 2]" 1
371 2 5 HIS HA 2 6 LEU H 3.370 . 3.870 2.507 2.219 2.800 . 0 0 "[ . 1 . 2]" 1
372 2 5 HIS QB 2 6 LEU H 4.570 . 5.070 3.973 3.786 4.068 . 0 0 "[ . 1 . 2]" 1
373 2 5 HIS HB2 2 6 LEU H 4.700 . 5.200 4.469 4.299 4.616 . 0 0 "[ . 1 . 2]" 1
374 2 5 HIS HB3 2 6 LEU H 4.900 . 5.400 4.473 4.022 4.717 . 0 0 "[ . 1 . 2]" 1
375 2 6 LEU CG 2 7 CYS H 6.070 . 6.570 4.741 4.589 4.971 . 0 0 "[ . 1 . 2]" 1
376 2 6 LEU CG 2 10 HIS QB 5.840 . 6.340 3.858 3.371 4.320 . 0 0 "[ . 1 . 2]" 1
377 2 6 LEU CG 2 10 HIS HD2 7.640 . 8.140 6.645 5.979 7.401 . 0 0 "[ . 1 . 2]" 1
378 2 6 LEU CG 2 11 LEU HA 5.480 . 5.980 4.012 3.797 4.296 . 0 0 "[ . 1 . 2]" 1
379 2 6 LEU CG 2 14 ALA H 6.170 . 6.670 5.398 5.049 5.944 . 0 0 "[ . 1 . 2]" 1
380 2 6 LEU CG 2 14 ALA MB 6.270 . 6.770 3.367 2.988 3.811 . 0 0 "[ . 1 . 2]" 1
381 2 6 LEU CG 2 15 LEU H 7.520 . 8.020 6.915 6.414 7.238 . 0 0 "[ . 1 . 2]" 1
382 2 6 LEU H 2 6 LEU HG 4.580 . 5.080 3.430 2.041 4.208 . 0 0 "[ . 1 . 2]" 1
383 2 6 LEU H 2 7 CYS H 5.070 . 5.570 4.544 4.353 4.641 . 0 0 "[ . 1 . 2]" 1
384 2 6 LEU HA 2 6 LEU HG 3.760 . 4.260 3.614 3.324 3.774 . 0 0 "[ . 1 . 2]" 1
385 2 6 LEU HA 2 7 CYS H 3.110 . 3.610 2.153 2.102 2.214 . 0 0 "[ . 1 . 2]" 1
386 2 6 LEU HA 2 10 HIS HB2 3.520 . 4.020 2.809 2.623 3.005 . 0 0 "[ . 1 . 2]" 1
387 2 6 LEU HA 2 10 HIS HB3 3.520 . 4.020 3.143 2.918 3.344 . 0 0 "[ . 1 . 2]" 1
388 2 6 LEU HA 2 10 HIS HD2 5.690 . 6.190 5.713 5.695 5.734 . 0 0 "[ . 1 . 2]" 1
389 2 6 LEU HA 2 14 ALA MB 6.610 . 7.110 5.199 4.861 5.557 . 0 0 "[ . 1 . 2]" 1
390 2 6 LEU QB 2 7 CYS HA 5.990 . 6.490 4.241 4.075 4.396 . 0 0 "[ . 1 . 2]" 1
391 2 6 LEU QB 2 10 HIS H 5.810 . 6.310 4.940 4.598 5.174 . 0 0 "[ . 1 . 2]" 1
392 2 6 LEU QB 2 14 ALA H 5.530 . 6.030 4.332 4.027 4.714 . 0 0 "[ . 1 . 2]" 1
393 2 6 LEU QB 2 14 ALA MB 5.010 . 5.510 3.134 2.818 3.522 . 0 0 "[ . 1 . 2]" 1
394 2 6 LEU HB2 2 11 LEU HA 3.750 . 4.250 3.010 2.762 3.217 . 0 0 "[ . 1 . 2]" 1
395 2 6 LEU HB3 2 11 LEU HA 3.750 . 4.250 2.376 2.167 2.736 . 0 0 "[ . 1 . 2]" 1
396 2 6 LEU MD1 2 14 ALA H 6.610 . 7.110 4.530 3.361 5.433 . 0 0 "[ . 1 . 2]" 1
397 2 6 LEU MD1 2 14 ALA MB 5.810 . 6.310 2.988 1.889 4.021 . 0 0 "[ . 1 . 2]" 1
398 2 6 LEU MD2 2 14 ALA H 6.610 . 7.110 5.267 4.610 5.539 . 0 0 "[ . 1 . 2]" 1
399 2 6 LEU MD2 2 14 ALA MB 5.810 . 6.310 3.194 2.843 3.481 . 0 0 "[ . 1 . 2]" 1
400 2 6 LEU HG 2 11 LEU HA 4.640 . 5.140 3.996 3.383 4.748 . 0 0 "[ . 1 . 2]" 1
401 2 7 CYS H 2 7 CYS HB2 3.900 . 4.400 2.750 2.580 2.925 . 0 0 "[ . 1 . 2]" 1
402 2 7 CYS H 2 7 CYS HB3 3.600 . 4.100 3.336 2.848 3.875 . 0 0 "[ . 1 . 2]" 1
403 2 7 CYS H 2 10 HIS HB2 3.950 . 4.450 1.998 1.852 2.164 . 0 0 "[ . 1 . 2]" 1
404 2 7 CYS H 2 10 HIS QB 3.830 . 4.330 1.986 1.843 2.147 . 0 0 "[ . 1 . 2]" 1
405 2 7 CYS H 2 10 HIS HB3 3.950 . 4.450 3.437 3.272 3.606 . 0 0 "[ . 1 . 2]" 1
406 2 7 CYS H 2 10 HIS HD2 5.700 . 6.200 5.672 5.591 5.732 . 0 0 "[ . 1 . 2]" 1
407 2 7 CYS HA 2 8 GLY HA2 4.760 . 5.260 4.472 4.440 4.505 . 0 0 "[ . 1 . 2]" 1
408 2 7 CYS HA 2 8 GLY QA 4.680 . 5.180 4.020 3.998 4.042 . 0 0 "[ . 1 . 2]" 1
409 2 7 CYS HA 2 8 GLY HA3 4.760 . 5.260 4.556 4.519 4.605 . 0 0 "[ . 1 . 2]" 1
410 2 7 CYS HA 2 11 LEU CG 6.500 . 7.000 4.444 4.278 4.741 . 0 0 "[ . 1 . 2]" 1
411 2 7 CYS HA 2 11 LEU HA 5.250 . 5.750 5.071 4.792 5.269 . 0 0 "[ . 1 . 2]" 1
412 2 7 CYS HA 2 11 LEU QB 4.840 . 5.340 2.676 2.482 2.903 . 0 0 "[ . 1 . 2]" 1
413 2 7 CYS HA 2 11 LEU MD1 6.160 . 6.660 4.746 4.236 5.151 . 0 0 "[ . 1 . 2]" 1
414 2 7 CYS HA 2 11 LEU MD2 6.160 . 6.660 3.600 2.840 4.887 . 0 0 "[ . 1 . 2]" 1
415 2 7 CYS HA 2 11 LEU HG 5.160 . 5.660 4.710 3.998 5.195 . 0 0 "[ . 1 . 2]" 1
416 2 7 CYS QB 2 8 GLY H 4.620 . 5.120 3.274 2.826 3.654 . 0 0 "[ . 1 . 2]" 1
417 2 8 GLY QA 2 9 SER H 3.280 . 3.780 2.139 2.117 2.161 . 0 0 "[ . 1 . 2]" 1
418 2 8 GLY QA 2 10 HIS H 5.580 . 6.080 3.667 3.544 3.763 . 0 0 "[ . 1 . 2]" 1
419 2 8 GLY HA2 2 9 SER H 3.350 . 3.850 3.207 3.114 3.267 . 0 0 "[ . 1 . 2]" 1
420 2 8 GLY HA3 2 9 SER H 3.350 . 3.850 2.172 2.145 2.202 . 0 0 "[ . 1 . 2]" 1
421 2 9 SER H 2 10 HIS H 4.090 . 4.590 2.947 2.850 3.017 . 0 0 "[ . 1 . 2]" 1
422 2 9 SER HA 2 12 VAL CB 5.160 . 5.660 3.680 3.346 4.361 . 0 0 "[ . 1 . 2]" 1
423 2 9 SER QB 2 10 HIS H 4.840 . 5.340 2.880 2.658 3.417 . 0 0 "[ . 1 . 2]" 1
424 2 9 SER QB 2 10 HIS HA 5.400 . 5.900 4.012 3.933 4.191 . 0 0 "[ . 1 . 2]" 1
425 2 9 SER QB 2 10 HIS HD2 5.380 . 5.880 4.768 4.553 4.823 . 0 0 "[ . 1 . 2]" 1
426 2 9 SER QB 2 10 HIS HE1 6.170 . 6.670 4.384 3.858 5.163 . 0 0 "[ . 1 . 2]" 1
427 2 10 HIS H 2 10 HIS HB2 3.840 . 4.340 2.550 2.418 2.618 . 0 0 "[ . 1 . 2]" 1
428 2 10 HIS H 2 10 HIS HB3 3.840 . 4.340 3.600 3.585 3.613 . 0 0 "[ . 1 . 2]" 1
429 2 10 HIS H 2 10 HIS HD2 5.110 . 5.610 4.318 4.123 4.421 . 0 0 "[ . 1 . 2]" 1
430 2 10 HIS H 2 11 LEU H 3.680 . 4.180 2.588 2.531 2.654 . 0 0 "[ . 1 . 2]" 1
431 2 10 HIS H 2 11 LEU QB 5.780 . 6.280 4.313 4.247 4.380 . 0 0 "[ . 1 . 2]" 1
432 2 10 HIS HA 2 10 HIS HE1 5.700 . 6.200 5.680 5.607 5.719 . 0 0 "[ . 1 . 2]" 1
433 2 10 HIS HA 2 13 GLU H 4.760 . 5.260 3.429 3.272 3.672 . 0 0 "[ . 1 . 2]" 1
434 2 10 HIS HA 2 13 GLU QB 4.570 . 5.070 2.350 2.201 2.591 . 0 0 "[ . 1 . 2]" 1
435 2 10 HIS HA 2 14 ALA H 4.610 . 5.110 4.119 3.907 4.478 . 0 0 "[ . 1 . 2]" 1
436 2 10 HIS HA 2 14 ALA MB 6.610 . 7.110 4.777 4.509 5.022 . 0 0 "[ . 1 . 2]" 1
437 2 10 HIS QB 2 11 LEU H 4.040 . 4.540 2.850 2.735 2.937 . 0 0 "[ . 1 . 2]" 1
438 2 10 HIS QB 2 11 LEU HA 4.820 . 5.320 4.064 3.961 4.143 . 0 0 "[ . 1 . 2]" 1
439 2 10 HIS QB 2 14 ALA MB 7.090 . 7.590 4.453 4.224 4.768 . 0 0 "[ . 1 . 2]" 1
440 2 10 HIS HB2 2 11 LEU H 4.270 . 4.770 2.921 2.796 3.013 . 0 0 "[ . 1 . 2]" 1
441 2 10 HIS HB2 2 11 LEU HA 5.140 . 5.640 4.438 4.287 4.584 . 0 0 "[ . 1 . 2]" 1
442 2 10 HIS HB3 2 11 LEU H 4.270 . 4.770 3.971 3.856 4.089 . 0 0 "[ . 1 . 2]" 1
443 2 10 HIS HB3 2 11 LEU HA 5.140 . 5.640 4.722 4.562 4.894 . 0 0 "[ . 1 . 2]" 1
444 2 10 HIS HD2 2 13 GLU HB2 5.320 . 5.820 5.244 4.950 5.342 . 0 0 "[ . 1 . 2]" 1
445 2 10 HIS HD2 2 13 GLU QB 5.030 . 5.530 4.281 4.079 4.497 . 0 0 "[ . 1 . 2]" 1
446 2 10 HIS HD2 2 13 GLU HB3 5.320 . 5.820 4.541 4.333 4.860 . 0 0 "[ . 1 . 2]" 1
447 2 10 HIS HD2 2 13 GLU QG 5.850 . 6.350 5.158 4.678 5.246 . 0 0 "[ . 1 . 2]" 1
448 2 11 LEU CG 2 14 ALA H 7.640 . 8.140 5.671 5.457 5.986 . 0 0 "[ . 1 . 2]" 1
449 2 11 LEU CG 2 15 LEU CG 8.420 . 8.920 6.006 5.301 6.697 . 0 0 "[ . 1 . 2]" 1
450 2 11 LEU H 2 11 LEU HB2 3.740 . 4.240 2.586 2.487 2.690 . 0 0 "[ . 1 . 2]" 1
451 2 11 LEU H 2 11 LEU QB 3.630 . 4.130 2.230 2.183 2.275 . 0 0 "[ . 1 . 2]" 1
452 2 11 LEU H 2 11 LEU HB3 3.740 . 4.240 2.439 2.369 2.534 . 0 0 "[ . 1 . 2]" 1
453 2 11 LEU H 2 11 LEU HG 4.670 . 5.170 4.520 4.418 4.601 . 0 0 "[ . 1 . 2]" 1
454 2 11 LEU H 2 12 VAL CB 5.730 . 6.230 4.951 4.797 5.192 . 0 0 "[ . 1 . 2]" 1
455 2 11 LEU H 2 13 GLU H 4.300 . 4.800 3.887 3.735 4.077 . 0 0 "[ . 1 . 2]" 1
456 2 11 LEU HA 2 12 VAL HA 5.500 . 6.000 4.852 4.714 4.939 . 0 0 "[ . 1 . 2]" 1
457 2 11 LEU HA 2 14 ALA H 4.100 . 4.600 3.268 3.007 3.633 . 0 0 "[ . 1 . 2]" 1
458 2 11 LEU HA 2 14 ALA MB 4.350 . 4.850 2.635 2.400 2.845 . 0 0 "[ . 1 . 2]" 1
459 2 11 LEU HA 2 15 LEU H 4.440 . 4.940 4.052 3.872 4.260 . 0 0 "[ . 1 . 2]" 1
460 2 11 LEU QB 2 12 VAL H 4.610 . 5.110 2.611 2.434 2.770 . 0 0 "[ . 1 . 2]" 1
461 2 11 LEU MD1 2 15 LEU H 6.610 . 7.110 3.735 3.472 4.009 . 0 0 "[ . 1 . 2]" 1
462 2 12 VAL CB 2 13 GLU H 5.850 . 6.350 3.151 3.039 3.340 . 0 0 "[ . 1 . 2]" 1
463 2 12 VAL CB 2 14 ALA H 6.320 . 6.820 5.240 5.134 5.326 . 0 0 "[ . 1 . 2]" 1
464 2 12 VAL CB 2 15 LEU CG 9.400 . 9.900 6.467 5.690 6.975 . 0 0 "[ . 1 . 2]" 1
465 2 12 VAL CB 2 15 LEU H 7.420 . 7.920 5.092 4.770 5.371 . 0 0 "[ . 1 . 2]" 1
466 2 12 VAL CB 2 16 TYR H 6.450 . 6.950 5.167 4.849 5.300 . 0 0 "[ . 1 . 2]" 1
467 2 12 VAL CB 2 16 TYR QB 6.090 . 6.590 5.144 4.901 5.342 . 0 0 "[ . 1 . 2]" 1
468 2 12 VAL CB 2 24 PHE QE 6.410 . 6.910 3.878 3.360 4.506 . 0 0 "[ . 1 . 2]" 1
469 2 12 VAL CB 2 24 PHE HZ 5.730 . 6.230 4.055 3.525 4.393 . 0 0 "[ . 1 . 2]" 1
470 2 12 VAL H 2 12 VAL HB 3.720 . 4.220 2.757 2.380 3.698 . 0 0 "[ . 1 . 2]" 1
471 2 12 VAL H 2 12 VAL MG2 4.480 . 4.980 2.145 2.039 2.227 . 0 0 "[ . 1 . 2]" 1
472 2 12 VAL H 2 13 GLU H 4.160 . 4.660 2.768 2.614 2.858 . 0 0 "[ . 1 . 2]" 1
473 2 12 VAL HA 2 14 ALA H 4.600 . 5.100 4.403 4.075 4.616 . 0 0 "[ . 1 . 2]" 1
474 2 12 VAL HA 2 14 ALA MB 6.610 . 7.110 4.982 4.708 5.221 . 0 0 "[ . 1 . 2]" 1
475 2 12 VAL HA 2 15 LEU CG 5.940 . 6.440 4.397 3.673 4.855 . 0 0 "[ . 1 . 2]" 1
476 2 12 VAL HA 2 15 LEU H 4.200 . 4.700 3.340 2.925 3.667 . 0 0 "[ . 1 . 2]" 1
477 2 12 VAL HA 2 15 LEU QB 5.300 . 5.800 2.503 2.156 2.852 . 0 0 "[ . 1 . 2]" 1
478 2 12 VAL HA 2 15 LEU HG 5.160 . 5.660 4.510 3.822 5.183 . 0 0 "[ . 1 . 2]" 1
479 2 12 VAL HA 2 16 TYR H 4.260 . 4.760 3.908 3.597 4.085 . 0 0 "[ . 1 . 2]" 1
480 2 12 VAL HA 2 24 PHE QE 4.690 . 5.190 3.236 2.692 4.134 . 0 0 "[ . 1 . 2]" 1
481 2 12 VAL HB 2 13 GLU H 3.790 . 4.290 2.929 2.557 3.820 . 0 0 "[ . 1 . 2]" 1
482 2 12 VAL HB 2 14 ALA H 5.500 . 6.000 5.292 5.129 5.561 . 0 0 "[ . 1 . 2]" 1
483 2 12 VAL MG1 2 13 GLU H 5.000 . 5.500 3.587 3.310 4.171 . 0 0 "[ . 1 . 2]" 1
484 2 12 VAL MG1 2 14 ALA H 6.610 . 7.110 5.268 5.069 5.434 . 0 0 "[ . 1 . 2]" 1
485 2 12 VAL MG1 2 16 TYR H 6.610 . 7.110 4.352 3.996 5.282 . 0 0 "[ . 1 . 2]" 1
486 2 12 VAL MG2 2 13 GLU H 5.000 . 5.500 3.566 2.371 4.066 . 0 0 "[ . 1 . 2]" 1
487 2 12 VAL MG2 2 14 ALA H 6.610 . 7.110 5.294 4.623 5.529 . 0 0 "[ . 1 . 2]" 1
488 2 12 VAL MG2 2 16 TYR H 7.610 . 8.110 5.448 5.069 5.650 . 0 0 "[ . 1 . 2]" 1
489 2 13 GLU H 2 13 GLU HB2 3.420 . 3.920 2.516 2.473 2.577 . 0 0 "[ . 1 . 2]" 1
490 2 13 GLU H 2 13 GLU QB 3.370 . 3.870 2.190 2.162 2.229 . 0 0 "[ . 1 . 2]" 1
491 2 13 GLU H 2 13 GLU HB3 3.420 . 3.920 2.411 2.329 2.525 . 0 0 "[ . 1 . 2]" 1
492 2 13 GLU H 2 13 GLU QG 4.620 . 5.120 3.973 3.948 4.053 . 0 0 "[ . 1 . 2]" 1
493 2 13 GLU H 2 14 ALA H 4.050 . 4.550 2.852 2.763 2.915 . 0 0 "[ . 1 . 2]" 1
494 2 13 GLU H 2 14 ALA MB 5.670 . 6.170 4.505 4.420 4.564 . 0 0 "[ . 1 . 2]" 1
495 2 13 GLU H 2 16 TYR QB 5.620 . 6.120 4.765 4.562 4.947 . 0 0 "[ . 1 . 2]" 1
496 2 13 GLU HA 2 13 GLU QG 3.520 . 4.020 2.570 2.453 3.046 . 0 0 "[ . 1 . 2]" 1
497 2 13 GLU HA 2 16 TYR H 3.730 . 4.230 3.556 3.370 3.740 . 0 0 "[ . 1 . 2]" 1
498 2 13 GLU HA 2 16 TYR QB 3.730 . 4.230 2.626 2.354 2.887 . 0 0 "[ . 1 . 2]" 1
499 2 13 GLU HA 2 16 TYR QD 5.120 . 5.620 3.903 3.507 4.214 . 0 0 "[ . 1 . 2]" 1
500 2 13 GLU HA 2 17 LEU H 4.500 . 5.000 4.117 3.939 4.300 . 0 0 "[ . 1 . 2]" 1
501 2 13 GLU QB 2 14 ALA H 4.000 . 4.500 2.710 2.551 2.831 . 0 0 "[ . 1 . 2]" 1
502 2 13 GLU HB2 2 14 ALA H 4.240 . 4.740 4.051 3.931 4.160 . 0 0 "[ . 1 . 2]" 1
503 2 13 GLU HB3 2 14 ALA H 4.240 . 4.740 2.752 2.584 2.881 . 0 0 "[ . 1 . 2]" 1
504 2 13 GLU QG 2 14 ALA H 5.120 . 5.620 3.590 3.494 3.736 . 0 0 "[ . 1 . 2]" 1
505 2 13 GLU QG 2 14 ALA MB 5.660 . 6.160 4.154 4.024 4.208 . 0 0 "[ . 1 . 2]" 1
506 2 13 GLU QG 2 15 LEU H 6.170 . 6.670 5.416 5.299 5.507 . 0 0 "[ . 1 . 2]" 1
507 2 13 GLU QG 2 16 TYR QB 6.020 . 6.520 4.022 3.702 4.591 . 0 0 "[ . 1 . 2]" 1
508 2 13 GLU QG 2 17 LEU QB 4.830 . 5.330 3.604 3.476 3.780 . 0 0 "[ . 1 . 2]" 1
509 2 14 ALA H 2 15 LEU H 4.000 . 4.500 2.660 2.481 2.788 . 0 0 "[ . 1 . 2]" 1
510 2 14 ALA H 2 16 TYR H 4.710 . 5.210 4.235 4.111 4.372 . 0 0 "[ . 1 . 2]" 1
511 2 14 ALA HA 2 17 LEU H 3.840 . 4.340 3.272 3.033 3.472 . 0 0 "[ . 1 . 2]" 1
512 2 14 ALA HA 2 17 LEU QB 4.710 . 5.210 2.417 2.217 2.629 . 0 0 "[ . 1 . 2]" 1
513 2 14 ALA MB 2 15 LEU CG 6.990 . 7.490 5.151 4.559 5.484 . 0 0 "[ . 1 . 2]" 1
514 2 14 ALA MB 2 15 LEU H 4.360 . 4.860 2.622 2.546 2.716 . 0 0 "[ . 1 . 2]" 1
515 2 14 ALA MB 2 15 LEU HA 4.800 . 5.300 3.989 3.921 4.021 . 0 0 "[ . 1 . 2]" 1
516 2 14 ALA MB 2 15 LEU MD1 7.360 . 7.860 4.781 2.849 5.121 . 0 0 "[ . 1 . 2]" 1
517 2 14 ALA MB 2 15 LEU MD2 7.360 . 7.860 4.316 3.670 5.139 . 0 0 "[ . 1 . 2]" 1
518 2 14 ALA MB 2 16 TYR H 5.680 . 6.180 4.701 4.639 4.739 . 0 0 "[ . 1 . 2]" 1
519 2 14 ALA MB 2 16 TYR QB 7.410 . 7.910 5.474 5.397 5.511 . 0 0 "[ . 1 . 2]" 1
520 2 14 ALA MB 2 18 VAL CB 6.660 . 7.160 5.493 5.347 5.572 . 0 0 "[ . 1 . 2]" 1
521 2 14 ALA MB 2 18 VAL H 5.810 . 6.310 4.774 4.598 4.850 . 0 0 "[ . 1 . 2]" 1
522 2 15 LEU CG 2 16 TYR QB 7.770 . 8.270 5.937 5.688 6.183 . 0 0 "[ . 1 . 2]" 1
523 2 15 LEU CG 2 18 VAL H 7.160 . 7.660 5.974 5.800 6.192 . 0 0 "[ . 1 . 2]" 1
524 2 15 LEU CG 2 18 VAL HB 6.150 . 6.650 5.185 4.809 5.527 . 0 0 "[ . 1 . 2]" 1
525 2 15 LEU CG 2 19 CYS H 7.100 . 7.600 5.626 5.194 6.157 . 0 0 "[ . 1 . 2]" 1
526 2 15 LEU CG 2 19 CYS QB 8.130 . 8.630 5.058 4.160 5.861 . 0 0 "[ . 1 . 2]" 1
527 2 15 LEU CG 2 24 PHE QB 6.130 . 6.630 3.555 3.164 4.139 . 0 0 "[ . 1 . 2]" 1
528 2 15 LEU CG 2 24 PHE QE 7.190 . 7.690 4.533 4.076 4.968 . 0 0 "[ . 1 . 2]" 1
529 2 15 LEU CG 2 26 TYR QD 7.090 . 7.590 5.129 4.131 6.107 . 0 0 "[ . 1 . 2]" 1
530 2 15 LEU H 2 15 LEU MD1 5.500 . 6.000 3.919 2.316 4.264 . 0 0 "[ . 1 . 2]" 1
531 2 15 LEU H 2 15 LEU MD2 5.500 . 6.000 3.632 3.118 4.144 . 0 0 "[ . 1 . 2]" 1
532 2 15 LEU H 2 15 LEU HG 4.650 . 5.150 4.122 2.843 4.610 . 0 0 "[ . 1 . 2]" 1
533 2 15 LEU H 2 16 TYR H 3.800 . 4.300 2.785 2.731 2.831 . 0 0 "[ . 1 . 2]" 1
534 2 15 LEU H 2 16 TYR QB 5.070 . 5.570 4.446 4.358 4.527 . 0 0 "[ . 1 . 2]" 1
535 2 15 LEU HA 2 15 LEU HG 3.910 . 4.410 3.275 2.345 3.697 . 0 0 "[ . 1 . 2]" 1
536 2 15 LEU HA 2 16 TYR QB 5.900 . 6.400 5.202 5.179 5.227 . 0 0 "[ . 1 . 2]" 1
537 2 15 LEU HA 2 17 LEU H 4.400 . 4.900 4.389 4.285 4.423 . 0 0 "[ . 1 . 2]" 1
538 2 15 LEU HA 2 18 VAL H 4.120 . 4.620 3.489 3.347 3.599 . 0 0 "[ . 1 . 2]" 1
539 2 15 LEU HA 2 18 VAL HB 3.270 . 3.770 2.926 2.739 3.083 . 0 0 "[ . 1 . 2]" 1
540 2 15 LEU HA 2 18 VAL MG1 5.510 . 6.010 4.231 4.058 4.422 . 0 0 "[ . 1 . 2]" 1
541 2 15 LEU HA 2 18 VAL MG2 5.510 . 6.010 3.804 3.532 3.977 . 0 0 "[ . 1 . 2]" 1
542 2 15 LEU HA 2 19 CYS H 4.490 . 4.990 3.881 3.675 4.112 . 0 0 "[ . 1 . 2]" 1
543 2 15 LEU QB 2 16 TYR H 4.470 . 4.970 2.628 2.520 2.774 . 0 0 "[ . 1 . 2]" 1
544 2 15 LEU QB 2 19 CYS QB 6.530 . 7.030 4.368 3.624 5.072 . 0 0 "[ . 1 . 2]" 1
545 2 15 LEU HB2 2 16 TYR H 4.760 . 5.260 3.244 2.720 3.708 . 0 0 "[ . 1 . 2]" 1
546 2 15 LEU HB3 2 16 TYR H 4.760 . 5.260 2.881 2.568 3.374 . 0 0 "[ . 1 . 2]" 1
547 2 15 LEU MD1 2 16 TYR H 5.750 . 6.250 4.383 4.056 4.769 . 0 0 "[ . 1 . 2]" 1
548 2 15 LEU MD1 2 24 PHE HB2 7.010 . 7.510 2.800 2.121 5.048 . 0 0 "[ . 1 . 2]" 1
549 2 15 LEU MD1 2 24 PHE HB3 7.010 . 7.510 3.271 2.329 5.846 . 0 0 "[ . 1 . 2]" 1
550 2 15 LEU MD2 2 16 TYR H 5.750 . 6.250 4.722 4.541 4.788 . 0 0 "[ . 1 . 2]" 1
551 2 15 LEU MD2 2 24 PHE HB2 7.010 . 7.510 3.494 2.333 4.364 . 0 0 "[ . 1 . 2]" 1
552 2 15 LEU MD2 2 24 PHE HB3 7.010 . 7.510 4.293 2.585 5.464 . 0 0 "[ . 1 . 2]" 1
553 2 15 LEU MD2 2 24 PHE QD 7.000 . 7.500 3.660 2.270 4.306 . 0 0 "[ . 1 . 2]" 1
554 2 15 LEU HG 2 16 TYR H 5.360 . 5.860 4.927 4.367 5.165 . 0 0 "[ . 1 . 2]" 1
555 2 15 LEU HG 2 24 PHE QB 5.700 . 6.200 3.412 2.392 5.085 . 0 0 "[ . 1 . 2]" 1
556 2 16 TYR H 2 16 TYR QB 3.390 . 3.890 2.205 2.173 2.237 . 0 0 "[ . 1 . 2]" 1
557 2 16 TYR H 2 16 TYR QD 4.730 . 5.230 4.196 4.171 4.213 . 0 0 "[ . 1 . 2]" 1
558 2 16 TYR H 2 17 LEU H 3.960 . 4.460 2.803 2.759 2.878 . 0 0 "[ . 1 . 2]" 1
559 2 16 TYR H 2 17 LEU MD2 7.610 . 8.110 6.271 6.220 6.341 . 0 0 "[ . 1 . 2]" 1
560 2 16 TYR H 2 18 VAL H 4.480 . 4.980 4.289 4.215 4.345 . 0 0 "[ . 1 . 2]" 1
561 2 16 TYR H 2 24 PHE QE 4.880 . 5.380 3.614 3.266 4.090 . 0 0 "[ . 1 . 2]" 1
562 2 16 TYR HA 2 16 TYR QD 4.100 . 4.600 2.595 2.395 2.926 . 0 0 "[ . 1 . 2]" 1
563 2 16 TYR HA 2 16 TYR QE 5.300 . 5.800 4.596 4.496 4.741 . 0 0 "[ . 1 . 2]" 1
564 2 16 TYR HA 2 19 CYS H 4.200 . 4.700 3.528 3.352 3.831 . 0 0 "[ . 1 . 2]" 1
565 2 16 TYR HA 2 19 CYS QB 5.040 . 5.540 3.154 2.741 3.640 . 0 0 "[ . 1 . 2]" 1
566 2 16 TYR HA 2 20 GLY H 4.470 . 4.970 3.317 2.828 4.107 . 0 0 "[ . 1 . 2]" 1
567 2 16 TYR HA 2 24 PHE QD 4.100 . 4.600 3.326 2.787 3.669 . 0 0 "[ . 1 . 2]" 1
568 2 16 TYR HA 2 24 PHE QE 4.100 . 4.600 2.538 2.253 3.316 . 0 0 "[ . 1 . 2]" 1
569 2 16 TYR QB 2 17 LEU H 3.880 . 4.380 2.701 2.617 2.828 . 0 0 "[ . 1 . 2]" 1
570 2 16 TYR QB 2 17 LEU HA 4.920 . 5.420 4.335 4.253 4.384 . 0 0 "[ . 1 . 2]" 1
571 2 16 TYR QB 2 17 LEU QB 5.350 . 5.850 3.991 3.873 4.100 . 0 0 "[ . 1 . 2]" 1
572 2 16 TYR QB 2 18 VAL H 5.480 . 5.980 4.828 4.743 4.871 . 0 0 "[ . 1 . 2]" 1
573 2 16 TYR QB 2 24 PHE QE 5.180 . 5.680 2.441 2.305 2.654 . 0 0 "[ . 1 . 2]" 1
574 2 16 TYR QB 2 24 PHE HZ 5.100 . 5.600 2.943 2.597 3.395 . 0 0 "[ . 1 . 2]" 1
575 2 16 TYR QD 2 17 LEU H 5.420 . 5.920 3.708 3.360 3.896 . 0 0 "[ . 1 . 2]" 1
576 2 16 TYR QD 2 17 LEU HA 5.390 . 5.890 3.851 3.381 4.184 . 0 0 "[ . 1 . 2]" 1
577 2 16 TYR QD 2 20 GLY H 6.080 . 6.580 4.429 3.970 5.370 . 0 0 "[ . 1 . 2]" 1
578 2 16 TYR QD 2 20 GLY QA 6.730 . 7.230 4.166 3.234 5.315 . 0 0 "[ . 1 . 2]" 1
579 2 16 TYR QD 2 24 PHE QE 4.500 . 5.000 2.509 2.329 2.771 . 0 0 "[ . 1 . 2]" 1
580 2 16 TYR QE 2 20 GLY QA 6.730 . 7.230 3.975 3.102 5.351 . 0 0 "[ . 1 . 2]" 1
581 2 16 TYR QE 2 21 GLU HA 4.970 . 5.470 3.504 2.393 4.439 . 0 0 "[ . 1 . 2]" 1
582 2 17 LEU H 2 17 LEU HB2 3.880 . 4.380 2.455 2.415 2.480 . 0 0 "[ . 1 . 2]" 1
583 2 17 LEU H 2 17 LEU HB3 3.880 . 4.380 2.446 2.380 2.499 . 0 0 "[ . 1 . 2]" 1
584 2 17 LEU H 2 17 LEU MD1 5.180 . 5.680 4.143 4.086 4.164 . 0 0 "[ . 1 . 2]" 1
585 2 17 LEU H 2 17 LEU MD2 5.300 . 5.800 4.178 4.143 4.202 . 0 0 "[ . 1 . 2]" 1
586 2 17 LEU H 2 17 LEU HG 4.610 . 5.110 4.478 4.436 4.508 . 0 0 "[ . 1 . 2]" 1
587 2 17 LEU H 2 18 VAL H 4.050 . 4.550 2.712 2.663 2.744 . 0 0 "[ . 1 . 2]" 1
588 2 17 LEU H 2 18 VAL HB 4.800 . 5.300 4.820 4.800 4.837 . 0 0 "[ . 1 . 2]" 1
589 2 17 LEU HA 2 17 LEU MD1 3.580 . 4.080 2.193 2.149 2.224 . 0 0 "[ . 1 . 2]" 1
590 2 17 LEU HA 2 17 LEU HG 3.660 . 4.160 3.208 3.112 3.248 . 0 0 "[ . 1 . 2]" 1
591 2 17 LEU HA 2 19 CYS H 4.970 . 5.470 4.890 4.732 4.982 . 0 0 "[ . 1 . 2]" 1
592 2 17 LEU QB 2 18 VAL HA 5.170 . 5.670 4.468 4.381 4.569 . 0 0 "[ . 1 . 2]" 1
593 2 17 LEU HB2 2 18 VAL H 4.100 . 4.600 4.029 3.985 4.089 . 0 0 "[ . 1 . 2]" 1
594 2 17 LEU HB3 2 18 VAL H 4.100 . 4.600 2.831 2.718 2.960 . 0 0 "[ . 1 . 2]" 1
595 2 17 LEU HG 2 18 VAL H 5.180 . 5.680 4.020 3.849 4.183 . 0 0 "[ . 1 . 2]" 1
596 2 17 LEU HG 2 18 VAL HA 4.300 . 4.800 4.117 3.871 4.306 . 0 0 "[ . 1 . 2]" 1
597 2 18 VAL CB 2 19 CYS HA 6.450 . 6.950 4.614 4.497 4.677 . 0 0 "[ . 1 . 2]" 1
598 2 18 VAL CB 2 20 GLY H 7.410 . 7.910 5.230 4.953 5.424 . 0 0 "[ . 1 . 2]" 1
599 2 18 VAL H 2 18 VAL HB 3.100 . 3.600 2.338 2.300 2.409 . 0 0 "[ . 1 . 2]" 1
600 2 18 VAL H 2 19 CYS H 3.880 . 4.380 2.560 2.452 2.695 . 0 0 "[ . 1 . 2]" 1
601 2 18 VAL HB 2 19 CYS H 3.250 . 3.750 2.740 2.660 2.799 . 0 0 "[ . 1 . 2]" 1
602 2 18 VAL MG1 2 19 CYS H 5.000 . 5.500 3.287 3.141 3.389 . 0 0 "[ . 1 . 2]" 1
603 2 18 VAL MG2 2 19 CYS H 5.000 . 5.500 4.054 3.980 4.117 . 0 0 "[ . 1 . 2]" 1
604 2 19 CYS H 2 19 CYS HB2 3.800 . 4.300 2.487 2.389 2.639 . 0 0 "[ . 1 . 2]" 1
605 2 19 CYS H 2 19 CYS HB3 4.100 . 4.600 3.160 2.431 3.644 . 0 0 "[ . 1 . 2]" 1
606 2 19 CYS H 2 20 GLY H 3.890 . 4.390 2.592 2.444 2.707 . 0 0 "[ . 1 . 2]" 1
607 2 19 CYS QB 2 20 GLY H 4.060 . 4.560 3.009 2.781 3.287 . 0 0 "[ . 1 . 2]" 1
608 2 19 CYS QB 2 24 PHE QD 4.560 . 5.060 2.585 2.284 3.090 . 0 0 "[ . 1 . 2]" 1
609 2 19 CYS HB2 2 20 GLY H 4.170 . 4.670 3.529 2.904 4.178 . 0 0 "[ . 1 . 2]" 1
610 2 19 CYS HB3 2 20 GLY H 4.170 . 4.670 3.660 2.838 4.197 . 0 0 "[ . 1 . 2]" 1
611 2 20 GLY QA 2 21 GLU QG 4.940 . 5.440 3.596 3.341 3.724 . 0 0 "[ . 1 . 2]" 1
612 2 20 GLY QA 2 22 ARG H 5.350 . 5.850 3.451 3.303 3.646 . 0 0 "[ . 1 . 2]" 1
613 2 21 GLU H 2 22 ARG H 4.290 . 4.790 2.858 2.637 3.065 . 0 0 "[ . 1 . 2]" 1
614 2 21 GLU QB 2 22 ARG H 4.790 . 5.290 3.613 2.792 4.092 . 0 0 "[ . 1 . 2]" 1
615 2 22 ARG H 2 22 ARG QD 5.340 . 5.840 3.977 3.177 4.761 . 0 0 "[ . 1 . 2]" 1
616 2 22 ARG H 2 22 ARG QG 4.590 . 5.090 2.449 2.150 3.941 . 0 0 "[ . 1 . 2]" 1
617 2 22 ARG HA 2 22 ARG HE 5.160 . 5.660 4.609 2.021 5.221 . 0 0 "[ . 1 . 2]" 1
618 2 22 ARG HA 2 22 ARG QG 3.810 . 4.310 2.590 2.305 3.173 . 0 0 "[ . 1 . 2]" 1
619 2 22 ARG QB 2 22 ARG HE 4.780 . 5.280 2.972 2.170 4.063 . 0 0 "[ . 1 . 2]" 1
620 2 24 PHE H 2 24 PHE QD 4.760 . 5.260 3.178 2.408 4.028 . 0 0 "[ . 1 . 2]" 1
621 2 24 PHE H 2 25 PHE H 4.660 . 5.160 4.425 4.341 4.672 . 0 0 "[ . 1 . 2]" 1
622 2 24 PHE QB 2 25 PHE H 4.430 . 4.930 2.414 2.246 2.615 . 0 0 "[ . 1 . 2]" 1
623 2 24 PHE QD 2 25 PHE H 4.660 . 5.160 3.510 2.797 4.108 . 0 0 "[ . 1 . 2]" 1
624 2 24 PHE QD 2 26 TYR H 4.820 . 5.320 3.718 2.380 4.311 . 0 0 "[ . 1 . 2]" 1
625 2 24 PHE QD 2 26 TYR HA 5.810 . 6.310 4.330 3.739 4.830 . 0 0 "[ . 1 . 2]" 1
626 2 24 PHE QD 2 26 TYR QB 4.420 . 4.920 2.852 2.233 3.469 . 0 0 "[ . 1 . 2]" 1
627 2 24 PHE QE 2 26 TYR QB 4.660 . 5.160 3.040 2.518 3.676 . 0 0 "[ . 1 . 2]" 1
628 2 25 PHE QB 2 26 TYR H 4.730 . 5.230 3.362 2.422 4.023 . 0 0 "[ . 1 . 2]" 1
629 2 25 PHE QB 2 26 TYR HA 5.650 . 6.150 4.538 3.835 5.041 . 0 0 "[ . 1 . 2]" 1
630 2 26 TYR H 2 26 TYR QD 4.770 . 5.270 3.912 2.377 4.332 . 0 0 "[ . 1 . 2]" 1
631 2 26 TYR H 2 27 THR H 4.740 . 5.240 4.392 2.614 4.708 . 0 0 "[ . 1 . 2]" 1
632 2 26 TYR HA 2 27 THR MG 5.900 . 6.400 3.760 3.338 4.400 . 0 0 "[ . 1 . 2]" 1
633 2 26 TYR QD 2 27 THR H 5.530 . 6.030 3.116 2.355 4.098 . 0 0 "[ . 1 . 2]" 1
634 2 26 TYR QD 2 27 THR HA 5.530 . 6.030 4.367 3.432 4.962 . 0 0 "[ . 1 . 2]" 1
635 2 27 THR H 2 28 LYS H 4.820 . 5.320 3.926 2.659 4.604 . 0 0 "[ . 1 . 2]" 1
636 2 27 THR HA 2 28 LYS H 3.350 . 3.850 2.472 2.116 3.397 . 0 0 "[ . 1 . 2]" 1
637 2 27 THR HB 2 28 LYS H 4.430 . 4.930 3.766 2.067 4.452 . 0 0 "[ . 1 . 2]" 1
638 2 27 THR MG 2 28 LYS H 5.180 . 5.680 3.929 3.332 4.358 . 0 0 "[ . 1 . 2]" 1
639 2 28 LYS H 2 28 LYS HB2 3.970 . 4.470 3.074 2.341 3.974 . 0 0 "[ . 1 . 2]" 1
640 2 28 LYS H 2 28 LYS HB3 3.970 . 4.470 2.979 2.357 4.019 . 0 0 "[ . 1 . 2]" 1
641 2 28 LYS H 2 28 LYS QG 4.870 . 5.370 3.287 2.164 4.240 . 0 0 "[ . 1 . 2]" 1
642 2 28 LYS HA 2 28 LYS QD 4.730 . 5.230 3.908 2.249 4.306 . 0 0 "[ . 1 . 2]" 1
643 2 28 LYS HA 2 29 PRO HD2 3.400 . 3.900 2.698 2.174 3.255 . 0 0 "[ . 1 . 2]" 1
644 2 28 LYS HA 2 29 PRO HD3 3.400 . 3.900 2.297 2.020 3.274 . 0 0 "[ . 1 . 2]" 1
645 2 28 LYS QB 2 29 PRO QD 4.930 . 5.430 2.966 2.139 3.874 . 0 0 "[ . 1 . 2]" 1
646 2 28 LYS HB2 2 29 PRO HD2 5.020 . 5.520 3.794 2.179 4.638 . 0 0 "[ . 1 . 2]" 1
647 2 28 LYS HB2 2 29 PRO HD3 5.020 . 5.520 4.273 2.878 5.079 . 0 0 "[ . 1 . 2]" 1
648 2 28 LYS HB3 2 29 PRO HD2 5.020 . 5.520 3.856 2.291 4.944 . 0 0 "[ . 1 . 2]" 1
649 2 28 LYS HB3 2 29 PRO HD3 5.020 . 5.520 4.329 2.657 5.043 . 0 0 "[ . 1 . 2]" 1
650 2 28 LYS QG 2 29 PRO QD 5.030 . 5.530 3.073 2.035 4.029 . 0 0 "[ . 1 . 2]" 1
651 2 28 LYS QG 2 30 THR H 6.170 . 6.670 4.132 2.008 5.509 . 0 0 "[ . 1 . 2]" 1
652 2 29 PRO HA 2 30 THR H 3.560 . 4.060 2.991 2.139 3.545 . 0 0 "[ . 1 . 2]" 1
653 2 29 PRO QB 2 30 THR H 4.190 . 4.690 3.199 2.826 3.647 . 0 0 "[ . 1 . 2]" 1
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