NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559184 |
2m2n   |
18923 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m2n
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 689
_Distance_constraint_stats_list.Viol_count 2
_Distance_constraint_stats_list.Viol_total 5.275
_Distance_constraint_stats_list.Viol_max 0.092
_Distance_constraint_stats_list.Viol_rms 0.0009
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0879
_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 ILE 0.176 0.092 26 0 "[ . 1 . 2 . 3]"
1 3 VAL 0.176 0.092 26 0 "[ . 1 . 2 . 3]"
1 4 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 6 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 7 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 8 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 9 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 14 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 16 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 17 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 18 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 19 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 21 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 1 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 2 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 3 ASN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 4 GLN 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 5 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 6 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 7 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 10 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 11 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 12 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 13 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 14 ALA 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 15 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 16 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 17 LEU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 18 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 19 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 20 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 21 GLU 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 22 ARG 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 23 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 24 HIS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 25 PHE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 26 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 27 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 28 PRO 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 29 LYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 30 THR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
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 ILE HA 1 3 VAL CB 7.360 . 7.860 5.734 4.456 5.828 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 ILE HA 1 19 TYR QD 5.880 . 6.380 4.796 3.506 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 ILE HA 1 19 TYR QE 4.530 . 5.030 3.578 2.760 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 ILE HB 1 19 TYR QE 4.660 . 5.160 3.191 2.867 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 ILE MD 1 3 VAL H 6.120 . 6.620 4.479 3.518 5.155 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 ILE MD 1 16 LEU HA 5.500 . 6.000 3.778 3.179 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 ILE MD 1 16 LEU MD2 5.280 . 5.780 2.667 2.116 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 ILE MD 1 19 TYR H 6.350 . 6.850 4.807 4.600 5.143 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 ILE MD 1 19 TYR HB2 5.060 . 5.560 3.103 2.699 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 ILE MD 1 19 TYR HB3 5.270 . 5.770 3.205 2.377 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 ILE MD 1 19 TYR QD 4.830 . 5.330 2.734 2.564 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 ILE MD 1 19 TYR QE 5.110 . 5.610 3.193 2.672 3.565 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 ILE MD 2 15 LEU CG 6.430 . 6.930 3.555 3.062 4.645 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 ILE MD 2 15 LEU HG 5.320 . 5.820 3.422 2.727 4.431 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 ILE MD 2 25 PHE QE 7.230 . 7.730 4.785 3.761 5.390 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 ILE MD 2 26 TYR QD 7.160 . 7.660 3.697 3.003 5.353 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 ILE MG 1 3 VAL CB 5.870 . 6.370 3.729 3.442 4.077 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 ILE MG 1 3 VAL H 4.170 . 4.670 2.164 1.708 3.005 0.092 26 0 "[ . 1 . 2 . 3]" 1
19 1 2 ILE MG 1 3 VAL HA 5.690 . 6.190 3.537 2.230 4.408 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 2 ILE MG 1 19 TYR QE 6.400 . 6.900 4.420 4.088 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 2 ILE MG 2 26 TYR QD 5.760 . 6.260 2.602 2.229 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 2 ILE MG 2 26 TYR QE 5.940 . 6.440 3.275 2.938 4.034 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 VAL CB 1 4 GLU H 6.120 . 6.620 3.393 3.091 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 VAL CB 1 7 CYS H 7.110 . 7.610 5.084 4.250 6.680 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 VAL CB 1 7 CYS HA 7.110 . 7.610 6.691 6.020 7.166 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 3 VAL CB 1 7 CYS QB 5.920 . 6.420 4.007 3.114 5.169 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 VAL CB 2 26 TYR QD 7.250 . 7.750 5.570 4.439 6.129 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 VAL CB 2 26 TYR QE 6.090 . 6.590 4.110 3.299 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 VAL CB 2 28 PRO QB 7.550 . 8.050 6.261 5.461 6.756 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 VAL H 1 3 VAL HB 3.180 . 3.680 2.539 2.221 3.524 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 3 VAL H 1 4 GLU H 4.870 . 5.370 2.806 2.591 4.366 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 3 VAL H 2 11 LEU CG 7.580 . 8.080 6.505 5.567 7.667 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 3 VAL HA 1 7 CYS H 4.810 . 5.310 3.447 2.368 4.919 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 3 VAL HA 2 11 LEU CG 6.370 . 6.870 5.048 4.378 6.409 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 3 VAL HB 1 4 GLU H 4.100 . 4.600 3.626 2.594 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 3 VAL MG1 1 4 GLU H 5.420 . 5.920 3.191 2.494 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 3 VAL MG1 2 26 TYR QE 5.820 . 6.320 3.751 2.443 4.341 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 3 VAL MG2 1 4 GLU H 5.420 . 5.920 3.927 2.488 4.354 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 3 VAL MG2 2 26 TYR QE 5.820 . 6.320 3.126 2.178 4.347 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 GLU H 1 4 GLU HG2 5.000 . 5.500 3.652 2.217 4.865 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 GLU H 1 4 GLU HG3 5.000 . 5.500 3.327 2.211 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 GLU HA 1 4 GLU HG2 3.880 . 4.380 3.210 2.470 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 GLU HA 1 4 GLU QG 3.730 . 4.230 2.697 2.318 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 GLU HA 1 4 GLU HG3 3.880 . 4.380 3.072 2.428 3.807 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 5 GLN HA 1 9 SER HB2 4.660 . 5.160 4.502 2.159 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 5 GLN HA 1 9 SER HB3 4.660 . 5.160 4.185 3.352 4.761 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 6 CYS H 2 11 LEU CG 7.640 . 8.140 6.146 5.462 7.019 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 6 CYS HA 2 11 LEU CG 7.290 . 7.790 6.350 5.444 7.306 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 6 CYS QB 1 7 CYS HA 4.870 . 5.370 4.212 3.767 4.477 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 6 CYS QB 1 7 CYS QB 6.020 . 6.520 4.105 3.424 4.818 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 6 CYS QB 2 11 LEU CG 6.340 . 6.840 3.607 3.084 5.740 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 7 CYS HA 2 7 CYS QB 5.320 . 5.820 2.945 2.085 4.476 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 7 CYS QB 1 8 THR HA 5.500 . 6.000 4.319 3.928 4.985 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 7 CYS QB 2 7 CYS HA 4.480 . 4.980 3.444 2.160 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 7 CYS QB 2 11 LEU CG 7.810 . 8.310 5.729 3.643 6.772 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 8 THR HA 1 8 THR MG 3.230 . 3.730 2.349 2.217 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 8 THR HB 1 9 SER QB 5.660 . 6.160 4.094 3.310 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 9 SER HA 1 10 ILE H 3.390 . 3.890 2.555 2.261 2.812 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 9 SER HA 1 10 ILE HB 5.250 . 5.750 5.010 4.629 5.231 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 9 SER HA 1 10 ILE MD 5.660 . 6.160 4.389 3.576 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 9 SER HA 2 5 HIS HE1 3.240 . 3.740 2.835 2.370 3.275 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 9 SER QB 1 10 ILE H 4.040 . 4.540 2.982 2.105 3.446 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 9 SER HB2 1 10 ILE H 4.340 . 4.840 3.782 3.318 4.084 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 9 SER HB3 1 10 ILE H 4.340 . 4.840 3.135 2.129 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 10 ILE H 1 10 ILE HB 3.340 . 3.840 2.506 2.316 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 10 ILE H 1 10 ILE MD 4.560 . 5.060 3.463 3.131 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 10 ILE H 1 10 ILE QG 4.180 . 4.680 2.254 2.051 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 10 ILE HA 1 10 ILE MD 4.300 . 4.800 2.412 2.105 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 10 ILE HA 2 4 GLN HA 5.500 . 6.000 4.125 3.440 5.515 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 10 ILE HA 2 5 HIS HA 4.880 . 5.380 3.035 2.381 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 10 ILE HA 2 5 HIS HE1 5.410 . 5.910 5.028 4.467 5.445 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 10 ILE MD 2 3 ASN HA 5.390 . 5.890 4.485 3.908 4.581 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 10 ILE MD 2 3 ASN HB2 6.160 . 6.660 4.101 2.855 5.135 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 10 ILE MD 2 3 ASN QB 6.080 . 6.580 3.599 2.819 3.951 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 10 ILE MD 2 3 ASN HB3 6.160 . 6.660 4.385 3.649 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 10 ILE MD 2 4 GLN HA 4.440 . 4.940 2.222 2.009 3.106 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 10 ILE MD 2 4 GLN HB2 6.610 . 7.110 4.079 3.725 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 10 ILE MD 2 4 GLN QB 6.420 . 6.920 3.705 3.424 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 10 ILE MD 2 4 GLN HB3 6.610 . 7.110 4.256 3.923 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 10 ILE MD 2 5 HIS HA 5.030 . 5.530 3.478 2.340 4.290 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 10 ILE MD 2 5 HIS QB 6.650 . 7.150 4.115 3.678 4.598 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 10 ILE MD 2 5 HIS HD2 4.520 . 5.020 3.474 3.096 3.714 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 10 ILE MD 2 5 HIS HE1 4.860 . 5.360 3.466 2.991 4.054 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 10 ILE QG 2 5 HIS HD2 5.990 . 6.490 5.047 3.801 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 10 ILE QG 2 5 HIS HE1 5.210 . 5.710 3.199 2.716 4.189 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 10 ILE MG 2 3 ASN HA 3.890 . 4.390 3.221 2.892 3.328 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 10 ILE MG 2 3 ASN QB 6.460 . 6.960 2.337 2.102 3.167 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 10 ILE MG 2 3 ASN QD 7.010 . 7.510 3.885 2.081 5.030 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 10 ILE MG 2 4 GLN HA 5.880 . 6.380 3.486 3.136 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 10 ILE MG 2 5 HIS HA 6.580 . 7.080 4.694 4.165 5.361 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 12 SER H 1 16 LEU MD1 5.840 . 6.340 3.969 2.716 4.876 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 12 SER HA 1 13 LEU HA 4.870 . 5.370 4.270 4.190 4.371 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 12 SER HA 1 13 LEU QB 5.460 . 5.960 4.434 4.231 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 12 SER HA 1 13 LEU HG 5.160 . 5.660 4.692 4.458 5.056 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 12 SER HA 1 15 GLN H 5.170 . 5.670 4.903 4.698 4.995 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 12 SER HA 1 16 LEU MD1 5.400 . 5.900 3.312 2.766 3.843 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 12 SER HA 2 1 PHE QE 5.230 . 5.730 3.188 2.315 3.720 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 12 SER QB 1 13 LEU QB 5.910 . 6.410 4.288 4.059 4.550 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 12 SER QB 1 14 TYR QB 5.910 . 6.410 4.666 4.340 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 12 SER QB 1 14 TYR QD 4.930 . 5.430 3.465 3.249 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 12 SER QB 1 14 TYR QE 4.830 . 5.330 2.632 2.557 2.739 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 12 SER QB 1 15 GLN H 4.840 . 5.340 3.372 2.609 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 12 SER QB 2 1 PHE QE 6.730 . 7.230 5.000 4.114 5.363 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 12 SER HB2 1 13 LEU H 4.680 . 5.180 3.593 3.391 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 12 SER HB2 1 13 LEU QB 6.170 . 6.670 5.459 5.255 5.557 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 12 SER HB2 1 14 TYR H 4.110 . 4.610 3.633 3.226 3.831 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 12 SER HB2 1 14 TYR QE 4.920 . 5.420 3.025 2.816 3.164 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 12 SER HB3 1 13 LEU H 4.680 . 5.180 2.466 2.160 2.800 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 12 SER HB3 1 13 LEU QB 6.170 . 6.670 4.488 4.200 4.868 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 12 SER HB3 1 14 TYR H 4.110 . 4.610 3.526 3.355 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 12 SER HB3 1 14 TYR QE 4.920 . 5.420 2.904 2.764 3.096 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 13 LEU CG 1 14 TYR H 6.290 . 6.790 2.863 2.814 2.896 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 13 LEU CG 1 14 TYR HA 6.560 . 7.060 4.661 4.607 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 13 LEU CG 1 14 TYR QD 7.210 . 7.710 3.334 3.300 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 13 LEU CG 1 15 GLN H 6.940 . 7.440 5.303 5.263 5.324 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 13 LEU H 1 13 LEU HG 4.530 . 5.030 2.506 2.363 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 13 LEU HA 1 13 LEU HG 3.810 . 4.310 3.716 3.708 3.731 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 13 LEU HA 1 14 TYR HA 5.010 . 5.510 4.744 4.726 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 13 LEU HA 1 16 LEU H 3.560 . 4.060 3.530 3.413 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 13 LEU HA 1 16 LEU HB2 3.990 . 4.490 2.363 2.263 2.534 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 13 LEU HA 1 16 LEU MD1 3.990 . 4.490 2.581 2.302 2.995 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 13 LEU HA 1 16 LEU HG 4.220 . 4.720 4.026 3.758 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 13 LEU HA 2 18 VAL MG1 3.510 . 4.010 2.844 2.256 2.961 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 13 LEU HA 2 18 VAL MG2 4.490 . 4.990 2.102 2.042 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 13 LEU QB 1 14 TYR H 3.980 . 4.480 3.433 3.299 3.468 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 13 LEU QB 1 14 TYR HA 4.880 . 5.380 4.366 4.191 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 13 LEU QB 1 14 TYR QD 5.720 . 6.220 4.531 4.462 4.555 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 13 LEU QB 1 14 TYR QE 6.930 . 7.430 5.536 5.512 5.564 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 13 LEU QB 1 15 GLN H 5.600 . 6.100 4.997 4.957 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 13 LEU QB 2 1 PHE QE 5.920 . 6.420 4.071 3.706 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 13 LEU QB 2 18 VAL MG2 4.910 . 5.410 2.388 2.221 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 13 LEU MD1 1 14 TYR H 5.810 . 6.310 2.698 2.560 3.411 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 13 LEU MD1 1 14 TYR QE 5.840 . 6.340 4.342 4.326 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 13 LEU MD2 1 14 TYR H 5.810 . 6.310 3.845 3.420 3.929 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 13 LEU MD2 1 14 TYR QE 5.840 . 6.340 4.092 3.338 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 13 LEU HG 1 14 TYR H 4.600 . 5.100 2.149 1.895 2.216 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 13 LEU HG 1 14 TYR HA 4.510 . 5.010 4.456 4.170 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 13 LEU HG 2 18 VAL MG2 6.520 . 7.020 4.801 4.664 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 14 TYR H 1 14 TYR QB 3.320 . 3.820 2.664 2.611 2.696 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 14 TYR H 1 14 TYR QD 3.940 . 4.440 2.373 2.300 2.428 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 14 TYR H 1 14 TYR QE 5.370 . 5.870 3.768 3.731 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 14 TYR H 1 15 GLN H 3.720 . 4.220 2.657 2.619 2.723 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 14 TYR H 1 16 LEU H 4.990 . 5.490 4.199 4.127 4.252 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 14 TYR HA 1 16 LEU H 5.060 . 5.560 4.663 4.582 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 14 TYR HA 1 17 GLU H 4.390 . 4.890 3.631 3.436 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 14 TYR HA 1 17 GLU QG 5.510 . 6.010 4.942 4.792 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 14 TYR HA 1 18 ASN H 5.500 . 6.000 5.210 4.772 5.413 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 14 TYR HA 2 18 VAL MG1 5.540 . 6.040 4.502 4.323 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 14 TYR QB 1 15 GLN H 4.050 . 4.550 3.620 3.571 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 14 TYR QB 1 15 GLN HA 5.060 . 5.560 4.521 4.401 4.548 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 14 TYR QB 1 15 GLN HB2 5.920 . 6.420 5.339 5.217 5.441 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 14 TYR QB 1 15 GLN QG 5.960 . 6.460 4.286 4.150 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 14 TYR QB 1 16 LEU H 6.170 . 6.670 5.367 5.310 5.424 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 14 TYR QB 1 17 GLU QB 6.240 . 6.740 4.367 4.174 4.519 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 14 TYR QD 1 15 GLN H 4.610 . 5.110 3.114 3.028 3.192 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 14 TYR QD 1 15 GLN HA 4.550 . 5.050 3.664 3.450 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 14 TYR QD 1 15 GLN HB3 5.510 . 6.010 4.893 4.839 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 14 TYR QD 1 15 GLN QG 4.960 . 5.460 2.294 2.227 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 14 TYR QE 1 15 GLN HB2 5.100 . 5.600 4.142 3.831 4.553 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 14 TYR QE 1 15 GLN HB3 5.680 . 6.180 5.146 5.103 5.193 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 14 TYR QE 1 15 GLN QG 5.510 . 6.010 2.394 2.264 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 15 GLN H 1 15 GLN HB2 3.510 . 4.010 2.257 2.205 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 15 GLN H 1 15 GLN HB3 3.730 . 4.230 3.549 3.465 3.595 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 15 GLN H 1 15 GLN HG2 4.170 . 4.670 3.551 3.034 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 15 GLN H 1 15 GLN QG 4.010 . 4.510 2.982 2.676 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 15 GLN H 1 15 GLN HG3 4.170 . 4.670 3.595 2.739 4.170 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 15 GLN H 1 16 LEU H 3.280 . 3.780 2.302 2.248 2.400 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 15 GLN H 1 16 LEU HA 5.220 . 5.720 4.990 4.947 5.069 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 15 GLN H 1 16 LEU HB2 5.160 . 5.660 4.087 3.993 4.171 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 15 GLN H 1 16 LEU MD2 6.610 . 7.110 5.454 5.284 5.553 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 15 GLN H 1 16 LEU HG 4.640 . 5.140 4.294 4.105 4.443 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 15 GLN H 1 17 GLU H 4.490 . 4.990 3.801 3.760 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 15 GLN HA 1 15 GLN HG2 3.760 . 4.260 2.740 2.413 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 15 GLN HA 1 15 GLN QG 3.430 . 3.930 2.611 2.350 2.924 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 15 GLN HA 1 15 GLN HG3 3.760 . 4.260 3.381 2.809 3.763 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 15 GLN HA 1 17 GLU H 4.620 . 5.120 4.381 4.211 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 15 GLN HA 1 18 ASN H 4.210 . 4.710 3.834 3.415 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 15 GLN HA 1 18 ASN HB2 4.210 . 4.710 4.040 3.725 4.134 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 15 GLN HA 1 18 ASN HB3 5.300 . 5.800 5.363 4.965 5.459 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 15 GLN HA 1 18 ASN HD21 4.620 . 5.120 2.359 2.033 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 15 GLN HA 1 18 ASN QD 4.330 . 4.830 2.205 1.970 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 15 GLN HA 1 18 ASN HD22 4.620 . 5.120 2.848 2.607 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 15 GLN HB2 1 16 LEU H 4.380 . 4.880 2.651 2.383 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 15 GLN HB3 1 16 LEU H 3.670 . 4.170 3.372 3.196 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 15 GLN HB3 1 16 LEU MD2 5.910 . 6.410 4.636 4.124 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 15 GLN HB3 1 19 TYR QE 4.880 . 5.380 3.458 3.121 3.786 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 16 LEU H 1 16 LEU HB2 3.430 . 3.930 2.234 2.183 2.278 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 16 LEU H 1 16 LEU HB3 3.660 . 4.160 3.498 3.471 3.529 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 16 LEU H 1 16 LEU MD1 4.710 . 5.210 3.455 3.345 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 16 LEU H 1 16 LEU MD2 4.340 . 4.840 3.625 3.469 3.673 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 16 LEU H 1 16 LEU HG 3.110 . 3.610 2.396 2.298 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 16 LEU H 1 17 GLU H 3.400 . 3.900 2.822 2.758 2.869 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 16 LEU H 1 17 GLU HA 5.360 . 5.860 5.393 5.346 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 16 LEU H 1 18 ASN H 4.710 . 5.210 4.391 4.234 4.469 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 16 LEU H 1 19 TYR QD 5.390 . 5.890 4.753 4.535 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 16 LEU H 1 19 TYR QE 5.830 . 6.330 4.418 4.313 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 16 LEU H 2 18 VAL MG1 5.120 . 5.620 4.167 3.864 4.284 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 16 LEU H 2 18 VAL MG2 5.270 . 5.770 4.225 4.084 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 16 LEU HA 1 16 LEU MD2 3.270 . 3.770 2.106 2.050 2.140 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 16 LEU HA 1 16 LEU HG 3.520 . 4.020 2.929 2.829 3.046 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 16 LEU HA 1 18 ASN H 4.350 . 4.850 3.923 3.854 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 16 LEU HA 1 19 TYR HB2 4.350 . 4.850 4.066 3.814 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 16 LEU HA 1 19 TYR QD 3.130 . 3.630 2.091 2.053 2.143 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 16 LEU HA 1 19 TYR QE 3.720 . 4.220 2.800 2.720 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 16 LEU HA 2 15 LEU CG 5.580 . 6.080 4.802 4.565 4.970 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 16 LEU HA 2 18 VAL MG1 5.720 . 6.220 4.485 4.290 4.580 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 16 LEU HB2 1 17 GLU HA 5.020 . 5.520 4.562 4.511 4.667 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 16 LEU HB2 1 19 TYR QD 5.890 . 6.390 4.934 4.844 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 16 LEU HB2 1 19 TYR QE 6.170 . 6.670 5.557 5.535 5.605 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 16 LEU HB3 1 19 TYR H 5.300 . 5.800 5.053 4.963 5.223 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 16 LEU HB3 1 19 TYR QD 5.160 . 5.660 4.086 3.928 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 16 LEU HB3 2 15 LEU CG 5.550 . 6.050 4.129 3.894 4.234 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 16 LEU HB3 2 15 LEU HA 3.470 . 3.970 3.022 2.723 3.260 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 16 LEU MD1 2 1 PHE QE 4.270 . 4.770 2.548 2.254 2.835 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 16 LEU MD1 2 1 PHE HZ 4.380 . 4.880 2.159 2.064 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 16 LEU MD1 2 14 ALA H 5.790 . 6.290 4.841 4.741 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 16 LEU MD1 2 14 ALA HA 5.300 . 5.800 3.825 3.677 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 16 LEU MD1 2 14 ALA MB 4.020 . 4.520 2.093 1.994 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 16 LEU MD1 2 15 LEU HA 4.200 . 4.700 3.358 3.096 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 16 LEU MD1 2 17 LEU H 6.610 . 7.110 5.523 5.413 5.554 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 16 LEU MD1 2 18 VAL H 5.870 . 6.370 4.265 4.140 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 16 LEU MD1 2 18 VAL MG2 4.110 . 4.610 2.100 2.012 2.173 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 16 LEU MD1 2 19 CYS H 6.610 . 7.110 5.526 5.448 5.546 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 16 LEU MD2 1 19 TYR H 6.020 . 6.520 5.033 5.006 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 16 LEU MD2 1 19 TYR HB2 5.130 . 5.630 4.288 4.228 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 16 LEU MD2 1 19 TYR QD 4.620 . 5.120 3.030 2.790 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 16 LEU MD2 1 19 TYR QE 4.880 . 5.380 3.370 3.048 3.652 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 16 LEU MD2 2 1 PHE QE 6.660 . 7.160 4.556 4.236 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 16 LEU MD2 2 1 PHE HZ 5.570 . 6.070 4.664 4.504 4.709 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 16 LEU MD2 2 14 ALA MB 4.990 . 5.490 2.923 2.649 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 16 LEU MD2 2 15 LEU HA 4.370 . 4.870 3.233 2.733 3.655 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 16 LEU MD2 2 15 LEU HG 3.790 . 4.290 2.232 2.115 2.529 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 16 LEU MD2 2 18 VAL MG2 6.350 . 6.850 3.761 3.560 3.971 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 17 GLU H 1 18 ASN H 3.710 . 4.210 2.868 2.798 2.899 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 17 GLU H 1 19 TYR H 4.630 . 5.130 4.415 4.332 4.479 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 17 GLU H 1 19 TYR QD 5.500 . 6.000 4.851 4.510 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 17 GLU H 2 18 VAL MG1 4.680 . 5.180 2.676 2.533 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 17 GLU HA 1 17 GLU QG 3.580 . 4.080 2.301 2.234 2.349 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 17 GLU HA 1 18 ASN HA 5.280 . 5.780 4.857 4.834 4.883 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 17 GLU HA 1 19 TYR H 3.760 . 4.260 3.701 3.627 3.762 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 17 GLU HA 1 20 CYS H 3.730 . 4.230 3.394 3.295 3.536 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 17 GLU HA 1 20 CYS HB2 4.320 . 4.820 2.666 2.364 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 17 GLU HA 1 20 CYS QB 4.270 . 4.770 2.583 2.291 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 17 GLU HA 1 20 CYS HB3 4.320 . 4.820 3.466 2.946 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 17 GLU HA 2 18 VAL MG1 3.470 . 3.970 2.543 2.375 2.757 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 17 GLU HA 2 18 VAL MG2 6.080 . 6.580 4.758 4.626 5.006 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 17 GLU QB 1 19 TYR H 5.990 . 6.490 4.713 4.671 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 17 GLU HB2 1 18 ASN H 3.950 . 4.450 4.027 4.003 4.062 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 17 GLU HB3 1 18 ASN H 3.950 . 4.450 3.022 2.963 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 17 GLU QG 1 20 CYS HA 5.990 . 6.490 5.399 5.367 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 17 GLU QG 1 20 CYS QB 4.490 . 4.990 2.874 2.782 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 17 GLU QG 2 18 VAL MG1 4.790 . 5.290 2.998 2.735 3.451 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 18 ASN H 1 18 ASN HB2 3.190 . 3.690 2.477 2.303 2.620 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 18 ASN H 1 18 ASN HB3 3.790 . 4.290 3.601 3.564 3.636 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 18 ASN H 1 19 TYR H 3.290 . 3.790 2.743 2.689 2.796 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 18 ASN H 1 19 TYR HA 5.500 . 6.000 5.411 5.355 5.440 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 18 ASN H 1 19 TYR HB2 5.430 . 5.930 5.260 5.110 5.362 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 18 ASN HA 1 18 ASN HB3 2.880 . 3.380 2.507 2.424 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 18 ASN HA 1 19 TYR H 3.450 . 3.950 3.461 3.454 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 18 ASN HA 1 19 TYR HA 5.000 . 5.500 4.632 4.585 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 18 ASN HA 1 20 CYS H 3.790 . 4.290 3.822 3.797 3.855 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 18 ASN HB2 1 19 TYR H 3.900 . 4.400 3.266 3.140 3.478 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 18 ASN HB2 1 19 TYR HA 5.160 . 5.660 4.820 4.597 5.171 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 18 ASN HB2 1 19 TYR QD 5.460 . 5.960 3.807 3.442 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 18 ASN HB2 1 19 TYR QE 4.840 . 5.340 3.565 3.253 3.835 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 18 ASN HB3 1 19 TYR H 4.250 . 4.750 4.072 3.984 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 18 ASN HB3 1 19 TYR HA 5.010 . 5.510 4.738 4.643 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 18 ASN HB3 1 19 TYR QD 5.380 . 5.880 4.598 4.385 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 18 ASN HB3 1 19 TYR QE 5.190 . 5.690 4.503 4.186 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 18 ASN HB3 1 20 CYS H 5.350 . 5.850 5.408 5.379 5.452 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 19 TYR H 1 19 TYR HB2 3.100 . 3.600 2.742 2.641 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 19 TYR H 1 19 TYR QD 3.480 . 3.980 2.653 2.243 2.936 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 19 TYR H 1 19 TYR QE 4.910 . 5.410 4.312 4.193 4.396 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 19 TYR H 1 20 CYS H 2.950 . 3.450 2.352 2.296 2.451 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 19 TYR H 1 20 CYS HA 4.700 . 5.200 4.734 4.710 4.763 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 19 TYR H 2 15 LEU CG 6.230 . 6.730 5.938 5.758 6.115 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 19 TYR H 2 18 VAL MG1 6.460 . 6.960 5.173 5.030 5.297 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 19 TYR HA 1 19 TYR QD 3.500 . 4.000 2.907 2.702 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 19 TYR HA 2 15 LEU CG 7.350 . 7.850 6.828 6.632 7.048 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 19 TYR HA 2 25 PHE QE 3.780 . 4.280 2.584 2.487 2.851 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 19 TYR HB2 2 15 LEU CG 6.450 . 6.950 3.920 3.717 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 19 TYR HB2 2 25 PHE QE 5.540 . 6.040 4.664 4.474 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 19 TYR HB3 1 20 CYS H 4.660 . 5.160 4.536 4.483 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 19 TYR HB3 2 15 LEU CG 5.720 . 6.220 5.097 4.851 5.310 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 19 TYR HB3 2 15 LEU MD1 5.510 . 6.010 3.518 3.150 3.880 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 19 TYR HB3 2 15 LEU MD2 5.510 . 6.010 3.343 3.178 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 19 TYR QD 1 20 CYS H 5.440 . 5.940 4.565 4.340 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 19 TYR QD 2 15 LEU CG 5.630 . 6.130 4.497 4.327 5.037 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 19 TYR QD 2 15 LEU HG 6.170 . 6.670 4.707 4.436 5.272 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 19 TYR QE 2 15 LEU CG 7.500 . 8.000 6.262 6.002 6.564 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 19 TYR QE 2 15 LEU MD1 7.410 . 7.910 5.220 4.957 5.506 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 19 TYR QE 2 15 LEU MD2 7.410 . 7.910 4.092 3.788 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 20 CYS H 1 20 CYS HB2 3.390 . 3.890 2.565 2.347 2.712 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 20 CYS H 1 20 CYS QB 3.240 . 3.740 2.235 2.187 2.342 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 20 CYS H 1 20 CYS HB3 3.390 . 3.890 2.594 2.345 3.560 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 20 CYS H 1 21 ASN H 4.630 . 5.130 4.660 4.624 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 20 CYS H 2 15 LEU CG 7.110 . 7.610 6.643 6.400 6.901 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 20 CYS H 2 18 VAL MG1 6.580 . 7.080 5.119 5.024 5.317 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 20 CYS HA 1 21 ASN H 2.940 . 3.440 2.283 2.247 2.476 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 20 CYS HA 1 21 ASN QB 5.500 . 6.000 4.448 4.154 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 20 CYS HA 2 15 LEU CG 7.490 . 7.990 6.045 5.692 6.536 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 20 CYS HA 2 19 CYS HB3 4.480 . 4.980 4.040 3.473 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 20 CYS HA 2 24 HIS HB2 4.470 . 4.970 3.645 2.978 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 20 CYS HA 2 24 HIS HB3 3.720 . 4.220 2.873 2.594 3.180 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 20 CYS HA 2 24 HIS HD2 5.500 . 6.000 5.047 4.868 5.510 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 20 CYS HA 2 25 PHE H 5.190 . 5.690 4.659 3.907 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 20 CYS QB 1 21 ASN H 4.610 . 5.110 3.496 2.363 3.765 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 21 ASN H 1 21 ASN HB2 3.730 . 4.230 2.588 2.339 3.620 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 21 ASN H 1 21 ASN QB 3.450 . 3.950 2.372 2.311 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 21 ASN H 1 21 ASN HB3 3.730 . 4.230 3.414 2.380 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 21 ASN H 1 21 ASN HD21 4.590 . 5.090 3.983 2.335 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 21 ASN H 1 21 ASN HD22 4.670 . 5.170 4.454 2.804 4.679 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 21 ASN H 2 24 HIS HA 3.480 . 3.980 2.900 2.566 3.489 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 21 ASN H 2 24 HIS HB2 5.010 . 5.510 4.538 3.977 5.018 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 21 ASN H 2 25 PHE H 4.950 . 5.450 4.647 4.346 4.961 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 21 ASN H 2 25 PHE QD 5.830 . 6.330 4.842 4.460 5.102 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 21 ASN HA 1 21 ASN HD21 4.590 . 5.090 4.410 2.878 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 21 ASN HA 1 21 ASN HD22 5.210 . 5.710 4.726 3.880 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 21 ASN HA 2 25 PHE QD 3.890 . 4.390 3.395 2.687 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 21 ASN HA 2 25 PHE QE 5.140 . 5.640 4.381 3.619 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 21 ASN QB 2 22 ARG QB 5.180 . 5.680 2.979 2.119 4.156 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 21 ASN QB 2 22 ARG QG 6.730 . 7.230 4.351 2.560 5.399 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 21 ASN HB2 1 21 ASN HD21 3.450 . 3.950 2.538 2.262 3.522 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 21 ASN HB2 1 21 ASN HD22 4.070 . 4.570 3.633 3.476 4.089 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 21 ASN HB3 1 21 ASN HD21 3.450 . 3.950 2.650 2.050 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 21 ASN HB3 1 21 ASN HD22 4.070 . 4.570 3.630 3.300 3.773 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 21 ASN HD22 2 23 GLY QA 5.010 . 5.510 3.785 2.815 5.126 . 0 0 "[ . 1 . 2 . 3]" 1
328 2 1 PHE HA 2 1 PHE QD 4.020 . 4.520 3.664 2.164 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
329 2 1 PHE QB 2 6 LEU CG 6.660 . 7.160 5.234 3.882 5.977 . 0 0 "[ . 1 . 2 . 3]" 1
330 2 1 PHE QB 2 14 ALA MB 5.960 . 6.460 3.506 2.917 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
331 2 1 PHE HB2 2 14 ALA MB 6.120 . 6.620 3.904 3.057 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
332 2 1 PHE HB3 2 14 ALA MB 6.120 . 6.620 4.022 3.264 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
333 2 1 PHE QD 2 6 LEU CG 5.920 . 6.420 4.423 3.769 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
334 2 1 PHE QD 2 14 ALA HA 5.170 . 5.670 3.105 2.701 3.840 . 0 0 "[ . 1 . 2 . 3]" 1
335 2 1 PHE QD 2 14 ALA MB 5.140 . 5.640 3.223 2.716 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
336 2 1 PHE QD 2 17 LEU QB 5.950 . 6.450 2.809 2.302 4.227 . 0 0 "[ . 1 . 2 . 3]" 1
337 2 1 PHE QE 2 6 LEU CG 5.990 . 6.490 4.785 4.391 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
338 2 1 PHE QE 2 14 ALA H 6.170 . 6.670 5.451 4.936 5.547 . 0 0 "[ . 1 . 2 . 3]" 1
339 2 1 PHE QE 2 14 ALA HA 4.850 . 5.350 3.040 2.360 3.513 . 0 0 "[ . 1 . 2 . 3]" 1
340 2 1 PHE QE 2 14 ALA MB 5.000 . 5.500 2.917 2.650 3.162 . 0 0 "[ . 1 . 2 . 3]" 1
341 2 1 PHE QE 2 17 LEU HB2 5.060 . 5.560 2.961 2.369 3.568 . 0 0 "[ . 1 . 2 . 3]" 1
342 2 1 PHE QE 2 17 LEU QB 4.890 . 5.390 2.476 2.147 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
343 2 1 PHE QE 2 17 LEU HB3 5.060 . 5.560 2.800 2.174 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
344 2 1 PHE QE 2 18 VAL MG2 4.270 . 4.770 2.386 2.190 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
345 2 1 PHE HZ 2 6 LEU CG 6.740 . 7.240 6.637 6.123 6.791 . 0 0 "[ . 1 . 2 . 3]" 1
346 2 1 PHE HZ 2 14 ALA HA 4.590 . 5.090 4.109 3.493 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
347 2 1 PHE HZ 2 14 ALA MB 5.120 . 5.620 3.061 2.454 3.362 . 0 0 "[ . 1 . 2 . 3]" 1
348 2 1 PHE HZ 2 15 LEU CG 7.640 . 8.140 7.440 6.810 7.665 . 0 0 "[ . 1 . 2 . 3]" 1
349 2 1 PHE HZ 2 17 LEU HB2 5.500 . 6.000 5.117 4.579 5.572 . 0 0 "[ . 1 . 2 . 3]" 1
350 2 1 PHE HZ 2 17 LEU QB 5.260 . 5.760 4.500 3.962 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
351 2 1 PHE HZ 2 17 LEU HB3 5.500 . 6.000 5.155 4.057 5.557 . 0 0 "[ . 1 . 2 . 3]" 1
352 2 1 PHE HZ 2 18 VAL MG1 6.090 . 6.590 4.558 4.378 4.848 . 0 0 "[ . 1 . 2 . 3]" 1
353 2 1 PHE HZ 2 18 VAL MG2 4.380 . 4.880 2.274 2.125 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
354 2 2 VAL CB 2 3 ASN HA 6.630 . 7.130 5.160 4.971 5.346 . 0 0 "[ . 1 . 2 . 3]" 1
355 2 2 VAL CB 2 3 ASN QB 7.680 . 8.180 5.100 4.309 5.563 . 0 0 "[ . 1 . 2 . 3]" 1
356 2 2 VAL CB 2 3 ASN HD21 7.060 . 7.560 6.102 3.024 7.086 . 0 0 "[ . 1 . 2 . 3]" 1
357 2 2 VAL CB 2 3 ASN HD22 7.060 . 7.560 6.437 4.082 7.101 . 0 0 "[ . 1 . 2 . 3]" 1
358 2 2 VAL CB 2 4 GLN HE21 6.720 . 7.220 4.361 3.239 6.439 . 0 0 "[ . 1 . 2 . 3]" 1
359 2 2 VAL CB 2 4 GLN HE22 6.720 . 7.220 4.998 4.166 6.249 . 0 0 "[ . 1 . 2 . 3]" 1
360 2 2 VAL CB 2 4 GLN QG 6.660 . 7.160 5.116 3.117 5.955 . 0 0 "[ . 1 . 2 . 3]" 1
361 2 2 VAL HA 2 3 ASN HA 4.920 . 5.420 4.456 4.253 5.152 . 0 0 "[ . 1 . 2 . 3]" 1
362 2 2 VAL HB 2 3 ASN HA 5.340 . 5.840 5.159 4.776 5.402 . 0 0 "[ . 1 . 2 . 3]" 1
363 2 2 VAL HB 2 4 GLN HE21 5.430 . 5.930 3.809 2.218 5.444 . 0 0 "[ . 1 . 2 . 3]" 1
364 2 2 VAL HB 2 4 GLN QE 5.210 . 5.710 3.538 2.183 4.706 . 0 0 "[ . 1 . 2 . 3]" 1
365 2 2 VAL HB 2 4 GLN HE22 5.430 . 5.930 4.416 3.091 5.508 . 0 0 "[ . 1 . 2 . 3]" 1
366 2 4 GLN HA 2 5 HIS HA 5.290 . 5.790 4.419 4.215 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
367 2 4 GLN HA 2 5 HIS HD2 4.930 . 5.430 4.165 3.674 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
368 2 4 GLN QB 2 6 LEU CG 7.830 . 8.330 5.315 3.307 6.449 . 0 0 "[ . 1 . 2 . 3]" 1
369 2 4 GLN QE 2 6 LEU CG 6.780 . 7.280 5.309 4.115 6.079 . 0 0 "[ . 1 . 2 . 3]" 1
370 2 4 GLN QG 2 6 LEU CG 5.950 . 6.450 3.729 2.890 5.319 . 0 0 "[ . 1 . 2 . 3]" 1
371 2 5 HIS H 2 5 HIS HD2 5.030 . 5.530 2.619 2.371 2.945 . 0 0 "[ . 1 . 2 . 3]" 1
372 2 5 HIS HA 2 5 HIS HD2 4.370 . 4.870 4.366 4.248 4.413 . 0 0 "[ . 1 . 2 . 3]" 1
373 2 6 LEU CG 2 7 CYS H 6.050 . 6.550 4.439 3.820 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
374 2 6 LEU CG 2 10 HIS HB2 6.170 . 6.670 5.322 3.269 6.154 . 0 0 "[ . 1 . 2 . 3]" 1
375 2 6 LEU CG 2 10 HIS HB3 5.270 . 5.770 3.903 3.037 4.599 . 0 0 "[ . 1 . 2 . 3]" 1
376 2 6 LEU CG 2 10 HIS HD2 7.340 . 7.840 6.086 3.526 7.423 . 0 0 "[ . 1 . 2 . 3]" 1
377 2 6 LEU CG 2 10 HIS HE1 7.260 . 7.760 6.390 4.323 7.318 . 0 0 "[ . 1 . 2 . 3]" 1
378 2 6 LEU CG 2 11 LEU HA 5.630 . 6.130 3.982 3.358 4.594 . 0 0 "[ . 1 . 2 . 3]" 1
379 2 6 LEU CG 2 14 ALA H 6.260 . 6.760 5.737 5.203 6.198 . 0 0 "[ . 1 . 2 . 3]" 1
380 2 6 LEU CG 2 14 ALA MB 5.430 . 5.930 3.538 3.257 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
381 2 6 LEU H 2 6 LEU HG 4.990 . 5.490 2.945 1.867 4.789 . 0 0 "[ . 1 . 2 . 3]" 1
382 2 6 LEU HA 2 6 LEU HG 3.970 . 4.470 3.126 2.634 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
383 2 6 LEU HA 2 7 CYS H 3.250 . 3.750 2.227 2.071 2.850 . 0 0 "[ . 1 . 2 . 3]" 1
384 2 6 LEU HA 2 7 CYS QB 5.310 . 5.810 4.084 3.813 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
385 2 6 LEU HA 2 10 HIS HB2 4.120 . 4.620 3.708 2.510 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
386 2 6 LEU HA 2 10 HIS HB3 4.170 . 4.670 2.864 2.437 3.705 . 0 0 "[ . 1 . 2 . 3]" 1
387 2 6 LEU HA 2 11 LEU HA 5.390 . 5.890 5.002 4.458 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
388 2 6 LEU QB 2 7 CYS H 4.870 . 5.370 3.110 1.900 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
389 2 6 LEU QB 2 10 HIS HB3 4.740 . 5.240 3.160 2.186 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
390 2 6 LEU HB2 2 7 CYS H 4.940 . 5.440 4.021 2.416 4.616 . 0 0 "[ . 1 . 2 . 3]" 1
391 2 6 LEU HB3 2 7 CYS H 4.940 . 5.440 3.311 1.947 4.583 . 0 0 "[ . 1 . 2 . 3]" 1
392 2 6 LEU MD1 2 7 CYS H 6.110 . 6.610 4.567 3.477 5.167 . 0 0 "[ . 1 . 2 . 3]" 1
393 2 6 LEU MD1 2 10 HIS HB3 5.090 . 5.590 3.866 2.090 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
394 2 6 LEU MD1 2 14 ALA H 6.400 . 6.900 4.299 3.712 5.366 . 0 0 "[ . 1 . 2 . 3]" 1
395 2 6 LEU MD1 2 14 ALA MB 5.580 . 6.080 2.327 1.916 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
396 2 6 LEU MD2 2 7 CYS H 6.110 . 6.610 4.035 3.466 5.139 . 0 0 "[ . 1 . 2 . 3]" 1
397 2 6 LEU MD2 2 10 HIS HB3 5.090 . 5.590 2.971 2.072 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
398 2 6 LEU MD2 2 14 ALA H 6.400 . 6.900 4.156 3.716 5.376 . 0 0 "[ . 1 . 2 . 3]" 1
399 2 6 LEU MD2 2 14 ALA MB 5.580 . 6.080 2.476 1.916 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
400 2 6 LEU HG 2 14 ALA MB 5.100 . 5.600 4.007 2.882 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
401 2 7 CYS H 2 10 HIS HB2 4.190 . 4.690 2.860 2.006 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
402 2 7 CYS H 2 10 HIS HB3 3.860 . 4.360 2.640 1.962 3.866 . 0 0 "[ . 1 . 2 . 3]" 1
403 2 7 CYS H 2 10 HIS HD2 5.500 . 6.000 5.523 5.117 5.630 . 0 0 "[ . 1 . 2 . 3]" 1
404 2 7 CYS HA 2 11 LEU CG 6.790 . 7.290 4.186 3.116 5.599 . 0 0 "[ . 1 . 2 . 3]" 1
405 2 7 CYS HA 2 11 LEU QB 5.520 . 6.020 2.831 2.191 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
406 2 10 HIS H 2 10 HIS HD2 4.990 . 5.490 4.031 2.261 5.055 . 0 0 "[ . 1 . 2 . 3]" 1
407 2 10 HIS H 2 11 LEU H 5.160 . 5.660 2.993 1.903 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
408 2 10 HIS H 2 13 GLU QG 4.890 . 5.390 4.415 4.368 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
409 2 10 HIS HA 2 10 HIS HD2 3.280 . 3.780 2.765 2.311 3.386 . 0 0 "[ . 1 . 2 . 3]" 1
410 2 10 HIS HA 2 13 GLU QB 5.020 . 5.520 2.963 2.380 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
411 2 10 HIS HA 2 13 GLU HG2 4.750 . 5.250 3.435 2.119 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
412 2 10 HIS HA 2 13 GLU QG 4.600 . 5.100 2.749 2.099 3.326 . 0 0 "[ . 1 . 2 . 3]" 1
413 2 10 HIS HA 2 13 GLU HG3 4.750 . 5.250 3.160 2.469 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
414 2 10 HIS HA 2 14 ALA H 4.260 . 4.760 3.996 3.787 4.348 . 0 0 "[ . 1 . 2 . 3]" 1
415 2 10 HIS HB2 2 11 LEU H 4.440 . 4.940 3.281 2.557 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
416 2 10 HIS HB3 2 10 HIS HD2 3.910 . 4.410 3.552 2.954 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
417 2 10 HIS HB3 2 10 HIS HE1 5.160 . 5.660 4.949 4.761 5.195 . 0 0 "[ . 1 . 2 . 3]" 1
418 2 10 HIS HB3 2 11 LEU H 4.630 . 5.130 3.012 2.293 3.842 . 0 0 "[ . 1 . 2 . 3]" 1
419 2 10 HIS HB3 2 11 LEU HA 4.980 . 5.480 4.173 3.929 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
420 2 10 HIS HB3 2 14 ALA MB 5.570 . 6.070 4.481 4.117 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
421 2 10 HIS HD2 2 13 GLU QB 5.600 . 6.100 4.293 2.520 5.075 . 0 0 "[ . 1 . 2 . 3]" 1
422 2 11 LEU CG 2 12 VAL CB 8.880 . 9.380 6.403 5.958 6.917 . 0 0 "[ . 1 . 2 . 3]" 1
423 2 11 LEU CG 2 12 VAL HA 6.360 . 6.860 5.292 4.777 5.994 . 0 0 "[ . 1 . 2 . 3]" 1
424 2 11 LEU CG 2 14 ALA H 7.090 . 7.590 5.974 5.623 6.315 . 0 0 "[ . 1 . 2 . 3]" 1
425 2 11 LEU CG 2 14 ALA MB 6.220 . 6.720 4.563 4.193 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
426 2 11 LEU CG 2 15 LEU CG 7.310 . 7.810 5.120 4.482 6.172 . 0 0 "[ . 1 . 2 . 3]" 1
427 2 11 LEU CG 2 15 LEU H 6.160 . 6.660 5.345 4.968 6.156 . 0 0 "[ . 1 . 2 . 3]" 1
428 2 11 LEU CG 2 15 LEU HG 5.280 . 5.780 4.330 3.800 5.313 . 0 0 "[ . 1 . 2 . 3]" 1
429 2 11 LEU CG 2 24 HIS HE1 7.640 . 8.140 6.902 6.120 7.618 . 0 0 "[ . 1 . 2 . 3]" 1
430 2 11 LEU CG 2 26 TYR QD 7.040 . 7.540 4.493 3.809 5.178 . 0 0 "[ . 1 . 2 . 3]" 1
431 2 11 LEU CG 2 26 TYR QE 6.170 . 6.670 3.634 3.104 4.241 . 0 0 "[ . 1 . 2 . 3]" 1
432 2 11 LEU H 2 11 LEU HB2 3.810 . 4.310 2.440 2.051 3.494 . 0 0 "[ . 1 . 2 . 3]" 1
433 2 11 LEU H 2 11 LEU HB3 3.810 . 4.310 2.841 2.395 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
434 2 11 LEU H 2 12 VAL CB 6.680 . 7.180 5.258 5.080 5.758 . 0 0 "[ . 1 . 2 . 3]" 1
435 2 11 LEU H 2 12 VAL HB 5.110 . 5.610 4.844 4.574 5.249 . 0 0 "[ . 1 . 2 . 3]" 1
436 2 11 LEU H 2 13 GLU H 4.740 . 5.240 4.131 3.228 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
437 2 11 LEU HA 2 12 VAL CB 7.630 . 8.130 5.805 5.737 5.836 . 0 0 "[ . 1 . 2 . 3]" 1
438 2 11 LEU HA 2 13 GLU H 5.210 . 5.710 4.558 4.288 4.786 . 0 0 "[ . 1 . 2 . 3]" 1
439 2 11 LEU HA 2 14 ALA MB 3.770 . 4.270 2.493 2.272 2.729 . 0 0 "[ . 1 . 2 . 3]" 1
440 2 11 LEU HA 2 15 LEU CG 7.310 . 7.810 5.134 4.822 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
441 2 11 LEU HA 2 15 LEU H 4.960 . 5.460 3.765 3.557 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
442 2 11 LEU HA 2 26 TYR QE 5.770 . 6.270 4.897 4.711 5.039 . 0 0 "[ . 1 . 2 . 3]" 1
443 2 11 LEU QB 2 12 VAL H 4.200 . 4.700 2.648 2.311 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
444 2 11 LEU QB 2 15 LEU CG 6.730 . 7.230 5.375 4.175 5.925 . 0 0 "[ . 1 . 2 . 3]" 1
445 2 11 LEU HB2 2 12 VAL H 4.340 . 4.840 3.696 2.681 4.071 . 0 0 "[ . 1 . 2 . 3]" 1
446 2 11 LEU HB2 2 26 TYR QE 4.820 . 5.320 3.821 2.131 4.323 . 0 0 "[ . 1 . 2 . 3]" 1
447 2 11 LEU HB3 2 12 VAL H 4.340 . 4.840 2.787 2.347 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
448 2 11 LEU HB3 2 26 TYR QE 4.820 . 5.320 2.415 2.170 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
449 2 11 LEU MD1 2 12 VAL HA 6.610 . 7.110 5.064 3.551 5.602 . 0 0 "[ . 1 . 2 . 3]" 1
450 2 11 LEU MD1 2 26 TYR QD 7.410 . 7.910 4.078 2.565 4.709 . 0 0 "[ . 1 . 2 . 3]" 1
451 2 11 LEU MD1 2 26 TYR QE 6.120 . 6.620 3.609 2.603 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
452 2 11 LEU MD2 2 12 VAL HA 6.610 . 7.110 4.863 3.889 5.576 . 0 0 "[ . 1 . 2 . 3]" 1
453 2 11 LEU MD2 2 26 TYR QD 7.410 . 7.910 3.677 2.886 5.225 . 0 0 "[ . 1 . 2 . 3]" 1
454 2 11 LEU MD2 2 26 TYR QE 6.120 . 6.620 3.177 2.545 4.572 . 0 0 "[ . 1 . 2 . 3]" 1
455 2 12 VAL CB 2 13 GLU H 5.610 . 6.110 3.038 2.925 3.104 . 0 0 "[ . 1 . 2 . 3]" 1
456 2 12 VAL CB 2 13 GLU HA 5.680 . 6.180 4.652 4.532 4.724 . 0 0 "[ . 1 . 2 . 3]" 1
457 2 12 VAL CB 2 14 ALA H 6.840 . 7.340 5.277 5.145 5.358 . 0 0 "[ . 1 . 2 . 3]" 1
458 2 12 VAL CB 2 15 LEU CG 8.210 . 8.710 6.389 6.217 6.609 . 0 0 "[ . 1 . 2 . 3]" 1
459 2 12 VAL CB 2 15 LEU HB2 6.250 . 6.750 4.769 4.646 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
460 2 12 VAL CB 2 16 TYR H 6.210 . 6.710 5.298 5.188 5.400 . 0 0 "[ . 1 . 2 . 3]" 1
461 2 12 VAL CB 2 24 HIS HD2 7.120 . 7.620 6.546 6.380 6.858 . 0 0 "[ . 1 . 2 . 3]" 1
462 2 12 VAL CB 2 24 HIS HE1 5.400 . 5.900 3.269 3.152 3.391 . 0 0 "[ . 1 . 2 . 3]" 1
463 2 12 VAL CB 2 26 TYR QB 7.320 . 7.820 5.964 5.622 6.359 . 0 0 "[ . 1 . 2 . 3]" 1
464 2 12 VAL CB 2 26 TYR QD 5.990 . 6.490 4.323 4.019 4.636 . 0 0 "[ . 1 . 2 . 3]" 1
465 2 12 VAL CB 2 26 TYR QE 5.830 . 6.330 4.082 3.851 4.291 . 0 0 "[ . 1 . 2 . 3]" 1
466 2 12 VAL CB 2 27 THR HA 6.420 . 6.920 4.889 4.445 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
467 2 12 VAL CB 2 27 THR HB 7.700 . 8.200 6.737 6.081 7.460 . 0 0 "[ . 1 . 2 . 3]" 1
468 2 12 VAL CB 2 28 PRO HD2 6.630 . 7.130 4.222 3.896 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
469 2 12 VAL CB 2 28 PRO HD3 6.340 . 6.840 4.777 4.606 4.980 . 0 0 "[ . 1 . 2 . 3]" 1
470 2 12 VAL H 2 12 VAL HB 3.420 . 3.920 2.454 2.322 2.576 . 0 0 "[ . 1 . 2 . 3]" 1
471 2 12 VAL H 2 13 GLU H 3.510 . 4.010 2.704 2.303 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
472 2 12 VAL H 2 14 ALA H 4.660 . 5.160 4.203 3.923 4.350 . 0 0 "[ . 1 . 2 . 3]" 1
473 2 12 VAL H 2 26 TYR QE 4.830 . 5.330 3.131 2.889 3.598 . 0 0 "[ . 1 . 2 . 3]" 1
474 2 12 VAL HA 2 13 GLU HA 5.500 . 6.000 4.856 4.689 5.011 . 0 0 "[ . 1 . 2 . 3]" 1
475 2 12 VAL HA 2 14 ALA H 4.610 . 5.110 4.626 4.524 4.661 . 0 0 "[ . 1 . 2 . 3]" 1
476 2 12 VAL HA 2 14 ALA MB 5.990 . 6.490 4.997 4.933 5.051 . 0 0 "[ . 1 . 2 . 3]" 1
477 2 12 VAL HA 2 15 LEU CG 5.810 . 6.310 4.213 4.054 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
478 2 12 VAL HA 2 15 LEU H 4.070 . 4.570 3.652 3.589 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
479 2 12 VAL HA 2 15 LEU HA 5.500 . 6.000 5.580 5.522 5.638 . 0 0 "[ . 1 . 2 . 3]" 1
480 2 12 VAL HA 2 15 LEU HB2 4.150 . 4.650 2.682 2.586 2.799 . 0 0 "[ . 1 . 2 . 3]" 1
481 2 12 VAL HA 2 15 LEU HB3 4.750 . 5.250 4.279 4.164 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
482 2 12 VAL HA 2 15 LEU HG 4.850 . 5.350 4.211 3.942 4.436 . 0 0 "[ . 1 . 2 . 3]" 1
483 2 12 VAL HA 2 24 HIS HD2 5.460 . 5.960 5.059 4.934 5.306 . 0 0 "[ . 1 . 2 . 3]" 1
484 2 12 VAL HA 2 24 HIS HE1 4.010 . 4.510 2.317 2.240 2.427 . 0 0 "[ . 1 . 2 . 3]" 1
485 2 12 VAL HA 2 26 TYR QD 4.660 . 5.160 3.063 2.759 3.367 . 0 0 "[ . 1 . 2 . 3]" 1
486 2 12 VAL HA 2 26 TYR QE 4.740 . 5.240 3.748 3.597 3.940 . 0 0 "[ . 1 . 2 . 3]" 1
487 2 12 VAL HB 2 13 GLU H 3.260 . 3.760 2.570 2.373 2.703 . 0 0 "[ . 1 . 2 . 3]" 1
488 2 12 VAL HB 2 26 TYR QE 6.170 . 6.670 4.508 4.327 4.751 . 0 0 "[ . 1 . 2 . 3]" 1
489 2 13 GLU H 2 13 GLU QB 3.210 . 3.710 2.476 2.362 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
490 2 13 GLU H 2 13 GLU HG2 3.800 . 4.300 2.408 2.050 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
491 2 13 GLU H 2 13 GLU HG3 3.800 . 4.300 3.281 2.101 3.729 . 0 0 "[ . 1 . 2 . 3]" 1
492 2 13 GLU H 2 14 ALA H 3.230 . 3.730 2.777 2.573 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
493 2 13 GLU H 2 14 ALA HA 5.420 . 5.920 5.411 5.262 5.446 . 0 0 "[ . 1 . 2 . 3]" 1
494 2 13 GLU H 2 14 ALA MB 5.340 . 5.840 4.346 4.156 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
495 2 13 GLU H 2 15 LEU CG 7.640 . 8.140 6.695 6.552 6.846 . 0 0 "[ . 1 . 2 . 3]" 1
496 2 13 GLU H 2 15 LEU H 5.100 . 5.600 4.350 4.163 4.423 . 0 0 "[ . 1 . 2 . 3]" 1
497 2 13 GLU H 2 24 HIS HE1 5.500 . 6.000 5.570 5.545 5.616 . 0 0 "[ . 1 . 2 . 3]" 1
498 2 13 GLU HA 2 13 GLU HG2 3.980 . 4.480 3.110 2.372 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
499 2 13 GLU HA 2 13 GLU HG3 3.980 . 4.480 3.730 2.838 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
500 2 13 GLU HA 2 16 TYR H 3.740 . 4.240 3.611 3.282 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
501 2 13 GLU HA 2 16 TYR QB 3.720 . 4.220 2.633 2.340 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
502 2 13 GLU HA 2 16 TYR QD 4.240 . 4.740 3.604 3.412 3.805 . 0 0 "[ . 1 . 2 . 3]" 1
503 2 13 GLU QB 2 14 ALA H 4.110 . 4.610 2.659 2.107 3.666 . 0 0 "[ . 1 . 2 . 3]" 1
504 2 13 GLU QB 2 14 ALA MB 6.470 . 6.970 3.895 3.498 4.804 . 0 0 "[ . 1 . 2 . 3]" 1
505 2 13 GLU QB 2 16 TYR QB 5.680 . 6.180 4.285 3.763 4.484 . 0 0 "[ . 1 . 2 . 3]" 1
506 2 13 GLU QB 2 16 TYR QD 5.800 . 6.300 4.502 3.956 4.664 . 0 0 "[ . 1 . 2 . 3]" 1
507 2 13 GLU QG 2 14 ALA H 4.590 . 5.090 3.694 2.341 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
508 2 13 GLU HG2 2 14 ALA H 4.700 . 5.200 4.146 2.611 4.807 . 0 0 "[ . 1 . 2 . 3]" 1
509 2 13 GLU HG3 2 14 ALA H 4.700 . 5.200 4.225 2.433 4.813 . 0 0 "[ . 1 . 2 . 3]" 1
510 2 14 ALA H 2 14 ALA MB 3.240 . 3.740 2.177 2.145 2.213 . 0 0 "[ . 1 . 2 . 3]" 1
511 2 14 ALA H 2 15 LEU H 3.150 . 3.650 2.835 2.735 2.901 . 0 0 "[ . 1 . 2 . 3]" 1
512 2 14 ALA H 2 15 LEU HB2 5.500 . 6.000 4.776 4.640 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
513 2 14 ALA H 2 16 TYR QB 5.770 . 6.270 4.889 4.752 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
514 2 14 ALA HA 2 16 TYR H 4.650 . 5.150 4.555 4.480 4.658 . 0 0 "[ . 1 . 2 . 3]" 1
515 2 14 ALA HA 2 17 LEU CG 6.360 . 6.860 4.397 4.046 4.823 . 0 0 "[ . 1 . 2 . 3]" 1
516 2 14 ALA HA 2 17 LEU H 4.190 . 4.690 3.401 3.286 3.510 . 0 0 "[ . 1 . 2 . 3]" 1
517 2 14 ALA HA 2 18 VAL H 4.600 . 5.100 3.972 3.903 4.122 . 0 0 "[ . 1 . 2 . 3]" 1
518 2 14 ALA MB 2 15 LEU H 3.710 . 4.210 2.367 2.323 2.411 . 0 0 "[ . 1 . 2 . 3]" 1
519 2 14 ALA MB 2 15 LEU HA 4.660 . 5.160 3.917 3.892 3.945 . 0 0 "[ . 1 . 2 . 3]" 1
520 2 14 ALA MB 2 18 VAL H 5.920 . 6.420 4.544 4.459 4.659 . 0 0 "[ . 1 . 2 . 3]" 1
521 2 14 ALA MB 2 18 VAL MG2 4.980 . 5.480 3.430 3.278 3.496 . 0 0 "[ . 1 . 2 . 3]" 1
522 2 15 LEU CG 2 18 VAL H 7.640 . 8.140 6.196 6.027 6.300 . 0 0 "[ . 1 . 2 . 3]" 1
523 2 15 LEU CG 2 18 VAL MG2 7.920 . 8.420 5.408 5.158 5.525 . 0 0 "[ . 1 . 2 . 3]" 1
524 2 15 LEU CG 2 19 CYS H 7.130 . 7.630 5.998 5.751 6.195 . 0 0 "[ . 1 . 2 . 3]" 1
525 2 15 LEU CG 2 24 HIS H 7.640 . 8.140 7.167 6.617 7.668 . 0 0 "[ . 1 . 2 . 3]" 1
526 2 15 LEU CG 2 24 HIS HB2 6.190 . 6.690 4.484 4.196 5.059 . 0 0 "[ . 1 . 2 . 3]" 1
527 2 15 LEU CG 2 24 HIS HB3 5.990 . 6.490 4.703 4.386 5.359 . 0 0 "[ . 1 . 2 . 3]" 1
528 2 15 LEU CG 2 24 HIS HD2 6.300 . 6.800 4.744 4.623 4.850 . 0 0 "[ . 1 . 2 . 3]" 1
529 2 15 LEU CG 2 24 HIS HE1 6.410 . 6.910 4.874 4.663 5.015 . 0 0 "[ . 1 . 2 . 3]" 1
530 2 15 LEU CG 2 25 PHE QE 8.310 . 8.810 7.424 7.114 7.474 . 0 0 "[ . 1 . 2 . 3]" 1
531 2 15 LEU CG 2 26 TYR H 6.660 . 7.160 5.761 5.545 6.030 . 0 0 "[ . 1 . 2 . 3]" 1
532 2 15 LEU CG 2 26 TYR HA 7.600 . 8.100 7.327 6.942 7.627 . 0 0 "[ . 1 . 2 . 3]" 1
533 2 15 LEU CG 2 26 TYR QB 6.220 . 6.720 4.234 3.977 4.467 . 0 0 "[ . 1 . 2 . 3]" 1
534 2 15 LEU CG 2 26 TYR QD 6.220 . 6.720 4.225 3.997 4.340 . 0 0 "[ . 1 . 2 . 3]" 1
535 2 15 LEU CG 2 26 TYR QE 6.610 . 7.110 5.753 5.586 5.928 . 0 0 "[ . 1 . 2 . 3]" 1
536 2 15 LEU H 2 15 LEU HB2 3.500 . 4.000 2.344 2.307 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
537 2 15 LEU H 2 15 LEU HB3 3.580 . 4.080 3.573 3.546 3.593 . 0 0 "[ . 1 . 2 . 3]" 1
538 2 15 LEU H 2 15 LEU MD1 5.240 . 5.740 3.591 3.411 3.758 . 0 0 "[ . 1 . 2 . 3]" 1
539 2 15 LEU H 2 15 LEU MD2 5.240 . 5.740 3.749 3.610 3.860 . 0 0 "[ . 1 . 2 . 3]" 1
540 2 15 LEU H 2 15 LEU HG 3.180 . 3.680 2.596 2.462 2.671 . 0 0 "[ . 1 . 2 . 3]" 1
541 2 15 LEU HA 2 15 LEU HG 3.590 . 4.090 2.898 2.729 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
542 2 15 LEU HA 2 16 TYR HA 5.500 . 6.000 4.803 4.752 4.852 . 0 0 "[ . 1 . 2 . 3]" 1
543 2 15 LEU HA 2 17 LEU H 4.990 . 5.490 4.525 4.352 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
544 2 15 LEU HA 2 18 VAL H 3.980 . 4.480 3.536 3.403 3.667 . 0 0 "[ . 1 . 2 . 3]" 1
545 2 15 LEU HA 2 18 VAL HB 3.780 . 4.280 2.718 2.531 2.884 . 0 0 "[ . 1 . 2 . 3]" 1
546 2 15 LEU HA 2 18 VAL MG1 5.240 . 5.740 4.042 3.858 4.200 . 0 0 "[ . 1 . 2 . 3]" 1
547 2 15 LEU HA 2 18 VAL MG2 4.140 . 4.640 3.443 3.247 3.506 . 0 0 "[ . 1 . 2 . 3]" 1
548 2 15 LEU HA 2 19 CYS H 3.910 . 4.410 3.615 3.460 3.780 . 0 0 "[ . 1 . 2 . 3]" 1
549 2 15 LEU HA 2 19 CYS HB2 4.920 . 5.420 4.197 3.854 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
550 2 15 LEU HA 2 24 HIS HD2 4.470 . 4.970 4.509 4.483 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
551 2 15 LEU HB2 2 24 HIS HD2 4.090 . 4.590 3.444 3.318 3.659 . 0 0 "[ . 1 . 2 . 3]" 1
552 2 15 LEU HB2 2 24 HIS HE1 4.970 . 5.470 3.443 3.249 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
553 2 15 LEU HB2 2 26 TYR QD 5.400 . 5.900 4.080 3.872 4.277 . 0 0 "[ . 1 . 2 . 3]" 1
554 2 15 LEU HB2 2 26 TYR QE 6.170 . 6.670 5.547 5.504 5.586 . 0 0 "[ . 1 . 2 . 3]" 1
555 2 15 LEU HB3 2 24 HIS HD2 4.410 . 4.910 2.678 2.581 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
556 2 15 LEU MD1 2 24 HIS HB3 5.840 . 6.340 3.678 3.353 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
557 2 15 LEU MD1 2 24 HIS HD2 5.670 . 6.170 4.130 3.801 4.382 . 0 0 "[ . 1 . 2 . 3]" 1
558 2 15 LEU MD1 2 26 TYR H 6.610 . 7.110 3.422 3.197 3.715 . 0 0 "[ . 1 . 2 . 3]" 1
559 2 15 LEU MD2 2 24 HIS HB3 5.840 . 6.340 3.531 3.027 4.083 . 0 0 "[ . 1 . 2 . 3]" 1
560 2 15 LEU MD2 2 24 HIS HD2 5.670 . 6.170 4.399 4.215 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
561 2 15 LEU MD2 2 26 TYR H 6.610 . 7.110 4.967 4.741 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
562 2 15 LEU HG 2 24 HIS HD2 5.500 . 6.000 5.559 5.457 5.641 . 0 0 "[ . 1 . 2 . 3]" 1
563 2 16 TYR H 2 16 TYR QB 3.280 . 3.780 2.187 2.099 2.225 . 0 0 "[ . 1 . 2 . 3]" 1
564 2 16 TYR H 2 16 TYR QD 4.650 . 5.150 4.130 4.041 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
565 2 16 TYR H 2 17 LEU H 3.420 . 3.920 2.816 2.768 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
566 2 16 TYR H 2 18 VAL H 4.490 . 4.990 4.312 4.250 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
567 2 16 TYR H 2 19 CYS H 4.970 . 5.470 4.797 4.731 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
568 2 16 TYR H 2 24 HIS HD2 4.570 . 5.070 3.389 3.208 3.521 . 0 0 "[ . 1 . 2 . 3]" 1
569 2 16 TYR HA 2 16 TYR QD 3.260 . 3.760 2.669 2.498 2.927 . 0 0 "[ . 1 . 2 . 3]" 1
570 2 16 TYR HA 2 18 VAL H 5.110 . 5.610 4.568 4.449 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
571 2 16 TYR HA 2 19 CYS H 4.250 . 4.750 3.746 3.643 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
572 2 16 TYR HA 2 19 CYS HB2 4.420 . 4.920 4.048 2.757 4.466 . 0 0 "[ . 1 . 2 . 3]" 1
573 2 16 TYR HA 2 20 GLY H 3.980 . 4.480 3.552 3.257 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
574 2 16 TYR HA 2 24 HIS HD2 3.460 . 3.960 2.661 2.453 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
575 2 16 TYR QB 2 17 LEU H 4.180 . 4.680 2.742 2.664 2.820 . 0 0 "[ . 1 . 2 . 3]" 1
576 2 16 TYR QB 2 18 VAL H 5.770 . 6.270 4.943 4.866 5.012 . 0 0 "[ . 1 . 2 . 3]" 1
577 2 16 TYR QB 2 20 GLY H 6.170 . 6.670 5.129 4.937 5.512 . 0 0 "[ . 1 . 2 . 3]" 1
578 2 16 TYR QD 2 17 LEU CG 6.800 . 7.300 3.970 3.266 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
579 2 16 TYR QD 2 17 LEU H 4.780 . 5.280 3.295 3.048 3.511 . 0 0 "[ . 1 . 2 . 3]" 1
580 2 16 TYR QD 2 17 LEU HA 4.600 . 5.100 3.741 3.461 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
581 2 16 TYR QD 2 17 LEU QB 5.980 . 6.480 4.188 3.421 4.427 . 0 0 "[ . 1 . 2 . 3]" 1
582 2 16 TYR QD 2 20 GLY H 6.170 . 6.670 4.605 4.163 5.390 . 0 0 "[ . 1 . 2 . 3]" 1
583 2 16 TYR QD 2 21 GLU HA 5.580 . 6.080 3.956 2.777 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
584 2 16 TYR QD 2 24 HIS HD2 4.790 . 5.290 4.233 4.017 4.310 . 0 0 "[ . 1 . 2 . 3]" 1
585 2 16 TYR QE 2 17 LEU CG 6.510 . 7.010 4.810 4.416 5.829 . 0 0 "[ . 1 . 2 . 3]" 1
586 2 16 TYR QE 2 17 LEU HA 4.980 . 5.480 4.303 4.164 4.475 . 0 0 "[ . 1 . 2 . 3]" 1
587 2 16 TYR QE 2 17 LEU QB 6.730 . 7.230 5.353 4.897 5.394 . 0 0 "[ . 1 . 2 . 3]" 1
588 2 16 TYR QE 2 21 GLU HA 4.920 . 5.420 2.626 2.149 4.154 . 0 0 "[ . 1 . 2 . 3]" 1
589 2 16 TYR QE 2 22 ARG H 5.740 . 6.240 5.077 4.161 5.173 . 0 0 "[ . 1 . 2 . 3]" 1
590 2 17 LEU CG 2 18 VAL H 6.910 . 7.410 4.599 4.236 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
591 2 17 LEU H 2 17 LEU HB2 3.740 . 4.240 2.223 2.079 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
592 2 17 LEU H 2 17 LEU QB 3.630 . 4.130 2.192 2.060 2.306 . 0 0 "[ . 1 . 2 . 3]" 1
593 2 17 LEU H 2 17 LEU HB3 3.740 . 4.240 3.402 2.697 3.580 . 0 0 "[ . 1 . 2 . 3]" 1
594 2 17 LEU H 2 17 LEU HG 4.420 . 4.920 3.420 2.488 4.491 . 0 0 "[ . 1 . 2 . 3]" 1
595 2 17 LEU H 2 18 VAL H 3.680 . 4.180 2.728 2.608 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
596 2 17 LEU H 2 18 VAL HA 5.500 . 6.000 5.413 5.306 5.447 . 0 0 "[ . 1 . 2 . 3]" 1
597 2 17 LEU H 2 18 VAL HB 5.000 . 5.500 4.854 4.690 4.955 . 0 0 "[ . 1 . 2 . 3]" 1
598 2 17 LEU H 2 19 CYS H 4.840 . 5.340 4.400 4.284 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
599 2 17 LEU HA 2 17 LEU HG 3.750 . 4.250 2.886 2.444 3.681 . 0 0 "[ . 1 . 2 . 3]" 1
600 2 17 LEU HA 2 18 VAL HA 5.070 . 5.570 4.806 4.774 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
601 2 17 LEU HA 2 19 CYS H 5.060 . 5.560 4.870 4.787 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
602 2 17 LEU QB 2 18 VAL HA 5.480 . 5.980 4.111 3.919 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
603 2 17 LEU HB2 2 18 VAL H 3.810 . 4.310 3.061 2.711 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
604 2 17 LEU HB3 2 18 VAL H 3.810 . 4.310 3.319 2.540 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
605 2 17 LEU HG 2 18 VAL H 5.500 . 6.000 4.803 4.131 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
606 2 18 VAL H 2 18 VAL HB 3.190 . 3.690 2.436 2.381 2.470 . 0 0 "[ . 1 . 2 . 3]" 1
607 2 18 VAL H 2 18 VAL MG2 3.580 . 4.080 2.262 2.218 2.304 . 0 0 "[ . 1 . 2 . 3]" 1
608 2 18 VAL H 2 19 CYS H 3.310 . 3.810 2.738 2.673 2.794 . 0 0 "[ . 1 . 2 . 3]" 1
609 2 18 VAL H 2 20 GLY H 4.730 . 5.230 4.144 3.944 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
610 2 18 VAL HA 2 18 VAL MG1 3.280 . 3.780 2.535 2.512 2.567 . 0 0 "[ . 1 . 2 . 3]" 1
611 2 18 VAL HA 2 18 VAL MG2 3.210 . 3.710 2.334 2.304 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
612 2 18 VAL HB 2 19 CYS H 3.270 . 3.770 2.362 2.197 2.434 . 0 0 "[ . 1 . 2 . 3]" 1
613 2 18 VAL HB 2 19 CYS HB2 4.060 . 4.560 3.835 3.523 4.265 . 0 0 "[ . 1 . 2 . 3]" 1
614 2 18 VAL HB 2 20 GLY H 5.390 . 5.890 4.898 4.734 5.072 . 0 0 "[ . 1 . 2 . 3]" 1
615 2 18 VAL MG1 2 19 CYS H 4.230 . 4.730 3.122 2.974 3.228 . 0 0 "[ . 1 . 2 . 3]" 1
616 2 18 VAL MG2 2 19 CYS H 4.500 . 5.000 3.824 3.769 3.848 . 0 0 "[ . 1 . 2 . 3]" 1
617 2 19 CYS H 2 19 CYS HB2 3.220 . 3.720 2.327 2.240 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
618 2 19 CYS H 2 19 CYS HB3 3.430 . 3.930 2.724 2.480 3.469 . 0 0 "[ . 1 . 2 . 3]" 1
619 2 19 CYS H 2 20 GLY H 3.340 . 3.840 2.723 2.649 2.831 . 0 0 "[ . 1 . 2 . 3]" 1
620 2 19 CYS H 2 20 GLY QA 5.760 . 6.260 4.609 4.376 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
621 2 19 CYS H 2 24 HIS HD2 4.980 . 5.480 4.764 4.593 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
622 2 19 CYS HB2 2 20 GLY H 4.030 . 4.530 3.816 2.700 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
623 2 19 CYS HB2 2 24 HIS HD2 4.070 . 4.570 3.948 3.043 4.155 . 0 0 "[ . 1 . 2 . 3]" 1
624 2 19 CYS HB3 2 20 GLY H 4.050 . 4.550 3.084 2.678 3.881 . 0 0 "[ . 1 . 2 . 3]" 1
625 2 19 CYS HB3 2 20 GLY QA 5.170 . 5.670 4.424 3.787 4.715 . 0 0 "[ . 1 . 2 . 3]" 1
626 2 19 CYS HB3 2 24 HIS HD2 3.960 . 4.460 3.577 3.259 4.046 . 0 0 "[ . 1 . 2 . 3]" 1
627 2 21 GLU QG 2 22 ARG H 4.910 . 5.410 3.691 1.960 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
628 2 22 ARG H 2 22 ARG QD 4.800 . 5.300 3.526 1.897 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
629 2 22 ARG H 2 22 ARG QG 3.870 . 4.370 2.449 1.836 3.465 . 0 0 "[ . 1 . 2 . 3]" 1
630 2 22 ARG H 2 23 GLY H 4.860 . 5.360 3.055 2.498 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
631 2 22 ARG HA 2 22 ARG HD2 4.760 . 5.260 4.073 2.179 4.812 . 0 0 "[ . 1 . 2 . 3]" 1
632 2 22 ARG HA 2 22 ARG QD 4.680 . 5.180 3.428 2.107 4.220 . 0 0 "[ . 1 . 2 . 3]" 1
633 2 22 ARG HA 2 22 ARG HD3 4.760 . 5.260 3.811 2.167 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
634 2 22 ARG QD 2 23 GLY H 5.990 . 6.490 4.794 3.102 5.501 . 0 0 "[ . 1 . 2 . 3]" 1
635 2 22 ARG QG 2 23 GLY H 5.720 . 6.220 4.181 2.779 5.188 . 0 0 "[ . 1 . 2 . 3]" 1
636 2 23 GLY H 2 24 HIS H 4.680 . 5.180 4.496 2.592 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
637 2 23 GLY QA 2 24 HIS HD2 4.770 . 5.270 3.283 2.494 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
638 2 24 HIS H 2 24 HIS HD2 4.890 . 5.390 3.327 2.508 4.060 . 0 0 "[ . 1 . 2 . 3]" 1
639 2 24 HIS HA 2 24 HIS HD2 4.670 . 5.170 4.454 4.367 4.622 . 0 0 "[ . 1 . 2 . 3]" 1
640 2 24 HIS HA 2 25 PHE QD 5.050 . 5.550 3.997 3.728 4.266 . 0 0 "[ . 1 . 2 . 3]" 1
641 2 24 HIS HB2 2 25 PHE H 3.920 . 4.420 2.577 1.966 2.809 . 0 0 "[ . 1 . 2 . 3]" 1
642 2 24 HIS HB3 2 24 HIS HD2 3.550 . 4.050 2.607 2.581 2.664 . 0 0 "[ . 1 . 2 . 3]" 1
643 2 24 HIS HB3 2 25 PHE H 3.960 . 4.460 3.789 3.510 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
644 2 24 HIS HD2 2 27 THR MG 6.610 . 7.110 5.147 4.352 5.595 . 0 0 "[ . 1 . 2 . 3]" 1
645 2 24 HIS HE1 2 26 TYR QD 4.370 . 4.870 3.032 2.667 3.515 . 0 0 "[ . 1 . 2 . 3]" 1
646 2 24 HIS HE1 2 26 TYR QE 6.090 . 6.590 4.610 4.238 4.921 . 0 0 "[ . 1 . 2 . 3]" 1
647 2 24 HIS HE1 2 27 THR HA 4.220 . 4.720 3.632 3.070 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
648 2 24 HIS HE1 2 27 THR MG 5.080 . 5.580 3.110 2.532 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
649 2 24 HIS HE1 2 28 PRO HD2 5.240 . 5.740 4.492 3.918 5.063 . 0 0 "[ . 1 . 2 . 3]" 1
650 2 24 HIS HE1 2 28 PRO HD3 5.000 . 5.500 4.464 3.909 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
651 2 25 PHE H 2 25 PHE HB2 4.140 . 4.640 3.606 3.569 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
652 2 25 PHE H 2 25 PHE HB3 4.140 . 4.640 2.761 2.645 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
653 2 25 PHE H 2 25 PHE QD 4.480 . 4.980 2.672 2.495 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
654 2 25 PHE QD 2 26 TYR H 5.340 . 5.840 3.426 3.225 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
655 2 25 PHE QD 2 26 TYR HA 4.230 . 4.730 3.304 2.878 3.741 . 0 0 "[ . 1 . 2 . 3]" 1
656 2 25 PHE QD 2 26 TYR QB 5.770 . 6.270 3.702 3.169 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
657 2 26 TYR H 2 26 TYR HB2 3.460 . 3.960 2.782 2.665 2.975 . 0 0 "[ . 1 . 2 . 3]" 1
658 2 26 TYR H 2 26 TYR HB3 3.460 . 3.960 2.301 2.226 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
659 2 26 TYR HA 2 26 TYR QD 3.410 . 3.910 2.551 2.402 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
660 2 26 TYR HA 2 26 TYR QE 5.300 . 5.800 4.671 4.530 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
661 2 26 TYR QD 2 27 THR H 5.540 . 6.040 3.935 3.705 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
662 2 26 TYR QD 2 27 THR HA 5.350 . 5.850 4.199 3.608 4.806 . 0 0 "[ . 1 . 2 . 3]" 1
663 2 26 TYR QD 2 27 THR MG 7.010 . 7.510 4.643 4.180 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
664 2 26 TYR QD 2 28 PRO HD3 5.310 . 5.810 3.316 3.122 3.548 . 0 0 "[ . 1 . 2 . 3]" 1
665 2 26 TYR QD 2 28 PRO QG 5.800 . 6.300 4.417 4.213 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
666 2 26 TYR QE 2 27 THR HA 6.110 . 6.610 4.937 4.419 5.449 . 0 0 "[ . 1 . 2 . 3]" 1
667 2 26 TYR QE 2 28 PRO HA 4.930 . 5.430 4.433 4.396 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
668 2 26 TYR QE 2 28 PRO HB2 5.160 . 5.660 4.492 4.273 4.607 . 0 0 "[ . 1 . 2 . 3]" 1
669 2 26 TYR QE 2 28 PRO QB 4.720 . 5.220 2.944 2.707 3.157 . 0 0 "[ . 1 . 2 . 3]" 1
670 2 26 TYR QE 2 28 PRO HB3 5.160 . 5.660 2.985 2.734 3.215 . 0 0 "[ . 1 . 2 . 3]" 1
671 2 26 TYR QE 2 28 PRO HD2 5.200 . 5.700 4.197 3.976 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
672 2 26 TYR QE 2 28 PRO HD3 4.700 . 5.200 3.120 2.762 3.406 . 0 0 "[ . 1 . 2 . 3]" 1
673 2 26 TYR QE 2 28 PRO QG 4.800 . 5.300 3.142 2.796 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
674 2 27 THR HA 2 27 THR MG 3.430 . 3.930 2.247 2.211 2.271 . 0 0 "[ . 1 . 2 . 3]" 1
675 2 27 THR HA 2 28 PRO QB 5.770 . 6.270 4.662 4.540 4.755 . 0 0 "[ . 1 . 2 . 3]" 1
676 2 27 THR HA 2 28 PRO HD2 2.810 . 3.310 2.174 2.090 2.267 . 0 0 "[ . 1 . 2 . 3]" 1
677 2 27 THR HA 2 28 PRO HD3 2.860 . 3.360 2.535 2.312 2.753 . 0 0 "[ . 1 . 2 . 3]" 1
678 2 27 THR HB 2 28 PRO HD2 4.340 . 4.840 3.904 3.624 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
679 2 27 THR HB 2 28 PRO HD3 5.140 . 5.640 4.749 4.503 4.988 . 0 0 "[ . 1 . 2 . 3]" 1
680 2 27 THR MG 2 28 PRO HD2 4.650 . 5.150 3.784 3.577 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
681 2 27 THR MG 2 28 PRO HD3 5.320 . 5.820 4.301 4.068 4.439 . 0 0 "[ . 1 . 2 . 3]" 1
682 2 28 PRO QB 2 30 THR H 5.870 . 6.370 4.516 2.636 5.287 . 0 0 "[ . 1 . 2 . 3]" 1
683 2 29 LYS HA 2 29 LYS QD 4.770 . 5.270 3.643 2.166 4.374 . 0 0 "[ . 1 . 2 . 3]" 1
684 2 29 LYS HA 2 30 THR H 2.780 . 3.280 2.364 2.091 2.968 . 0 0 "[ . 1 . 2 . 3]" 1
685 2 29 LYS HB2 2 30 THR H 4.640 . 5.140 4.261 2.854 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
686 2 29 LYS HB3 2 30 THR H 4.640 . 5.140 4.152 3.162 4.640 . 0 0 "[ . 1 . 2 . 3]" 1
687 2 29 LYS QG 2 30 THR H 5.570 . 6.070 3.354 2.412 4.743 . 0 0 "[ . 1 . 2 . 3]" 1
688 2 29 LYS QG 2 30 THR HA 6.170 . 6.670 4.665 3.822 5.605 . 0 0 "[ . 1 . 2 . 3]" 1
689 2 30 THR H 2 30 THR HB 4.030 . 4.530 3.076 2.510 3.889 . 0 0 "[ . 1 . 2 . 3]" 1
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