NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
559189 |
2m2m   |
18921 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2m2m
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 808
_Distance_constraint_stats_list.Viol_count 35
_Distance_constraint_stats_list.Viol_total 76.134
_Distance_constraint_stats_list.Viol_max 0.195
_Distance_constraint_stats_list.Viol_rms 0.0032
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0001
_Distance_constraint_stats_list.Viol_average_violations_only 0.0725
_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 . 3]"
1 2 ILE 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 3 VAL 0.000 0.000 . 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 11 CYS 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 12 SER 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 13 LEU 2.538 0.195 1 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 0.737 0.195 1 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 8 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
2 9 SER 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 1 GLY QA 1 2 ILE H 2.880 . 3.380 2.281 2.162 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 1 GLY QA 1 19 TYR QD 5.930 . 6.430 3.185 2.746 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 1 GLY QA 1 19 TYR QE 4.320 . 4.820 2.799 2.146 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 ILE H 1 2 ILE HB 3.640 . 4.140 2.510 2.427 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
5 1 2 ILE H 1 2 ILE MD 5.030 . 5.530 4.185 4.139 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 2 ILE H 1 2 ILE MG 3.350 . 3.850 2.077 1.957 3.043 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 2 ILE H 1 3 VAL H 3.200 . 3.700 2.895 2.382 3.008 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 2 ILE H 1 3 VAL HA 5.500 . 6.000 5.484 4.733 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 2 ILE H 1 5 GLN QB 5.990 . 6.490 5.098 4.425 5.404 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 2 ILE H 1 19 TYR QD 4.870 . 5.370 2.934 2.603 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 2 ILE H 1 19 TYR QE 4.060 . 4.560 3.618 3.275 3.704 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 2 ILE HA 1 5 GLN QB 4.960 . 5.460 2.749 2.294 3.146 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 2 ILE HB 1 3 VAL H 4.350 . 4.850 4.091 3.977 4.201 . 0 0 "[ . 1 . 2 . 3]" 1
14 1 2 ILE HB 1 19 TYR QD 4.670 . 5.170 2.722 2.453 3.051 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 2 ILE HB 1 19 TYR QE 4.620 . 5.120 4.044 3.834 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
16 1 2 ILE MD 1 3 VAL H 5.560 . 6.060 4.584 4.475 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 2 ILE MD 1 5 GLN H 5.910 . 6.410 4.110 3.818 4.495 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 2 ILE MD 1 16 LEU HA 5.220 . 5.720 2.546 2.230 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 2 ILE MD 1 16 LEU HG 6.080 . 6.580 4.545 4.248 4.937 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 2 ILE MD 1 19 TYR H 5.500 . 6.000 3.977 3.752 4.315 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 2 ILE MD 1 19 TYR HB2 4.580 . 5.080 2.605 2.293 3.105 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 2 ILE MD 1 19 TYR HB3 4.460 . 4.960 3.430 3.137 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 2 ILE MD 1 19 TYR QD 4.660 . 5.160 2.574 2.241 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 2 ILE MD 1 19 TYR QE 5.370 . 5.870 3.338 3.086 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 2 ILE MD 2 11 LEU HG 5.450 . 5.950 4.250 3.853 4.565 . 0 0 "[ . 1 . 2 . 3]" 1
26 1 2 ILE HG12 1 19 TYR H 5.500 . 6.000 5.550 5.517 5.585 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 2 ILE HG12 1 19 TYR HB3 4.460 . 4.960 3.747 3.464 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 2 ILE HG12 1 19 TYR QD 4.950 . 5.450 4.346 4.233 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 2 ILE HG13 2 11 LEU HG 4.110 . 4.610 3.274 2.805 3.541 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 2 ILE MG 1 3 VAL H 3.410 . 3.910 2.335 2.167 2.494 . 0 0 "[ . 1 . 2 . 3]" 1
31 1 2 ILE MG 1 3 VAL HA 4.980 . 5.480 3.584 3.429 3.712 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 2 ILE MG 1 5 GLN QB 7.200 . 7.700 5.034 4.717 5.354 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 2 ILE MG 1 19 TYR QD 5.070 . 5.570 3.749 3.639 3.794 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 3 VAL H 1 3 VAL HB 2.640 . 3.140 2.528 2.473 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
35 1 3 VAL H 1 3 VAL MG2 3.230 . 3.730 2.205 2.088 2.370 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 3 VAL HA 1 3 VAL MG2 3.580 . 4.080 2.378 2.318 2.437 . 0 0 "[ . 1 . 2 . 3]" 1
37 1 3 VAL HA 1 4 GLU QB 6.170 . 6.670 5.484 5.153 5.567 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 3 VAL HA 1 7 CYS H 3.870 . 4.370 2.875 2.679 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 3 VAL HA 1 7 CYS HB2 4.490 . 4.990 3.012 2.835 3.265 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 3 VAL HA 2 11 LEU MD2 4.310 . 4.810 2.479 2.287 2.637 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 3 VAL MG1 1 4 GLU H 5.070 . 5.570 3.543 3.251 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 3 VAL MG1 1 7 CYS H 5.360 . 5.860 3.652 3.541 3.812 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 3 VAL MG1 1 7 CYS HB2 4.560 . 5.060 2.382 2.236 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 3 VAL MG1 1 7 CYS HB3 3.890 . 4.390 2.361 2.124 2.561 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 3 VAL MG1 1 8 THR H 5.840 . 6.340 4.489 4.006 4.863 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 3 VAL MG1 1 8 THR MG 7.920 . 8.420 5.068 4.676 5.435 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 3 VAL MG1 2 11 LEU HB2 6.610 . 7.110 5.467 5.191 5.523 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 3 VAL MG2 1 4 GLU H 4.980 . 5.480 4.006 3.866 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 3 VAL MG2 1 7 CYS HB3 5.430 . 5.930 4.378 4.012 4.549 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 3 VAL MG2 2 11 LEU HB2 5.480 . 5.980 4.584 4.569 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 3 VAL MG2 2 11 LEU HG 5.510 . 6.010 4.406 4.332 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
52 1 4 GLU H 1 4 GLU QG 4.820 . 5.320 2.574 2.021 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 4 GLU HA 1 8 THR H 4.210 . 4.710 3.882 3.396 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 4 GLU HA 1 8 THR HB 3.500 . 4.000 3.327 2.884 3.571 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 4 GLU HA 1 8 THR MG 4.520 . 5.020 3.085 2.450 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 4 GLU QB 1 8 THR HB 5.420 . 5.920 4.742 3.873 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 4 GLU QB 1 8 THR MG 5.700 . 6.200 3.814 3.221 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
58 1 5 GLN H 1 8 THR MG 5.120 . 5.620 3.977 3.465 4.280 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 GLN H 1 19 TYR QE 6.170 . 6.670 5.404 5.119 5.633 . 0 0 "[ . 1 . 2 . 3]" 1
60 1 5 GLN HA 1 5 GLN HE21 5.040 . 5.540 3.100 2.248 4.568 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 GLN HA 1 5 GLN QE 4.950 . 5.450 2.895 2.210 4.036 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 GLN HA 1 5 GLN HE22 5.040 . 5.540 3.675 3.254 5.071 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 GLN HA 1 5 GLN HG2 3.720 . 4.220 3.468 2.259 3.804 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 GLN HA 1 5 GLN HG3 3.720 . 4.220 3.341 2.967 3.760 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 5 GLN QB 1 19 TYR QE 5.000 . 5.500 3.616 3.252 4.021 . 0 0 "[ . 1 . 2 . 3]" 1
66 1 5 GLN HB2 1 19 TYR QE 5.320 . 5.820 3.935 3.524 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 GLN HB3 1 19 TYR QE 5.320 . 5.820 4.250 3.787 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 5 GLN QG 1 6 CYS H 5.990 . 6.490 3.769 3.155 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 GLN QG 1 19 TYR QE 5.430 . 5.930 3.074 2.390 4.027 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 6 CYS HA 2 11 LEU MD1 5.540 . 6.040 4.323 4.216 4.497 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 6 CYS HA 2 11 LEU MD2 6.610 . 7.110 5.534 5.506 5.556 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 6 CYS QB 1 7 CYS H 4.210 . 4.710 2.863 2.641 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 6 CYS QB 2 6 LEU H 5.710 . 6.210 3.104 2.620 3.669 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 6 CYS QB 2 6 LEU QB 6.290 . 6.790 2.296 2.006 3.076 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 6 CYS QB 2 11 LEU MD1 4.060 . 4.560 1.952 1.914 2.001 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 6 CYS HB2 2 11 LEU MD1 4.260 . 4.760 2.326 2.021 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 6 CYS HB2 2 11 LEU MD2 5.130 . 5.630 3.403 3.013 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 6 CYS HB3 2 11 LEU MD1 4.260 . 4.760 2.229 1.984 2.584 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 6 CYS HB3 2 11 LEU MD2 5.130 . 5.630 3.785 3.186 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 7 CYS H 1 7 CYS HB2 3.490 . 3.990 2.519 2.391 2.659 . 0 0 "[ . 1 . 2 . 3]" 1
81 1 7 CYS H 1 7 CYS HB3 3.280 . 3.780 2.586 2.502 2.663 . 0 0 "[ . 1 . 2 . 3]" 1
82 1 7 CYS H 1 8 THR MG 5.720 . 6.220 3.903 3.800 4.053 . 0 0 "[ . 1 . 2 . 3]" 1
83 1 7 CYS H 1 9 SER H 4.360 . 4.860 4.131 3.917 4.320 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 7 CYS H 2 6 LEU H 5.320 . 5.820 4.499 4.366 4.670 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 7 CYS H 2 7 CYS HA 5.450 . 5.950 4.894 4.390 5.131 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 7 CYS H 2 11 LEU MD1 4.730 . 5.230 4.023 3.994 4.061 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 7 CYS H 2 11 LEU MD2 4.770 . 5.270 3.852 3.740 3.955 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 7 CYS HA 1 8 THR HA 4.810 . 5.310 4.741 4.667 4.814 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 7 CYS HA 1 8 THR MG 6.120 . 6.620 5.157 5.133 5.180 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 7 CYS HA 1 9 SER H 4.770 . 5.270 4.449 4.138 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 7 CYS HA 2 5 HIS HA 4.740 . 5.240 4.333 3.825 4.756 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 7 CYS HA 2 6 LEU H 3.520 . 4.020 3.064 2.581 3.339 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 7 CYS HA 2 6 LEU QB 5.620 . 6.120 4.585 4.208 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 7 CYS HA 2 7 CYS H 5.380 . 5.880 4.765 4.542 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 7 CYS HA 2 7 CYS QB 5.600 . 6.100 3.026 2.336 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 7 CYS HA 2 11 LEU MD2 5.860 . 6.360 4.677 4.543 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 7 CYS HB2 1 8 THR H 4.360 . 4.860 4.025 3.947 4.117 . 0 0 "[ . 1 . 2 . 3]" 1
98 1 7 CYS HB2 2 7 CYS H 5.500 . 6.000 5.229 4.857 5.510 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 7 CYS HB2 2 7 CYS HA 4.160 . 4.660 2.974 2.354 3.309 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 7 CYS HB2 2 11 LEU HB2 5.050 . 5.550 4.820 4.440 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 7 CYS HB2 2 11 LEU MD2 4.710 . 5.210 3.213 2.939 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 7 CYS HB3 1 8 THR H 4.090 . 4.590 2.947 2.701 3.160 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 7 CYS HB3 1 8 THR HA 4.560 . 5.060 4.511 4.404 4.597 . 0 0 "[ . 1 . 2 . 3]" 1
104 1 7 CYS HB3 1 8 THR MG 5.850 . 6.350 4.489 4.225 4.782 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 7 CYS HB3 2 7 CYS HA 5.110 . 5.610 4.665 4.074 5.022 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 8 THR H 1 8 THR HB 3.740 . 4.240 2.560 2.426 2.805 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 8 THR H 1 9 SER H 4.380 . 4.880 2.480 2.214 2.618 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 8 THR HB 1 9 SER QB 5.990 . 6.490 5.220 4.771 5.368 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 8 THR MG 1 9 SER H 5.670 . 6.170 2.395 2.116 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 8 THR MG 1 9 SER HA 5.250 . 5.750 3.974 3.881 4.086 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 8 THR MG 1 9 SER QB 5.920 . 6.420 2.631 2.246 2.866 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 8 THR MG 2 5 HIS HE1 6.610 . 7.110 5.579 5.537 5.627 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 9 SER H 1 10 ILE H 5.340 . 5.840 4.405 4.270 4.482 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 9 SER HA 1 10 ILE H 3.240 . 3.740 2.547 2.429 2.704 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 9 SER HA 1 10 ILE HB 5.200 . 5.700 4.989 4.815 5.209 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 9 SER HA 1 10 ILE MD 5.930 . 6.430 4.832 4.480 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 9 SER HA 1 10 ILE QG 5.150 . 5.650 3.792 3.431 4.109 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 9 SER HA 2 5 HIS HE1 2.970 . 3.470 2.069 2.007 2.152 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 9 SER QB 1 10 ILE H 3.520 . 4.020 2.399 2.186 2.772 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 9 SER QB 1 10 ILE MD 7.040 . 7.540 5.213 5.031 5.332 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 9 SER QB 2 5 HIS HE1 4.440 . 4.940 3.751 3.277 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 9 SER HB2 1 10 ILE H 3.930 . 4.430 3.007 2.202 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 9 SER HB3 1 10 ILE H 3.930 . 4.430 3.103 2.226 3.810 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 10 ILE H 1 10 ILE HB 3.340 . 3.840 2.474 2.412 2.559 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 10 ILE H 1 10 ILE MD 4.890 . 5.390 3.585 3.385 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 10 ILE H 1 10 ILE HG12 4.380 . 4.880 2.635 2.112 3.370 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 10 ILE H 1 10 ILE QG 4.060 . 4.560 2.192 2.057 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 10 ILE H 1 10 ILE HG13 4.380 . 4.880 3.040 2.085 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 10 ILE H 2 5 HIS HD2 5.500 . 6.000 5.391 5.113 5.557 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 10 ILE H 2 5 HIS HE1 4.300 . 4.800 3.333 3.177 3.505 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 10 ILE HA 1 10 ILE MD 4.400 . 4.900 2.819 2.150 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 10 ILE HA 2 5 HIS HE1 4.940 . 5.440 4.938 4.767 5.026 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 10 ILE HB 1 11 CYS H 5.210 . 5.710 4.277 4.154 4.349 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 10 ILE HB 2 5 HIS HE1 5.430 . 5.930 5.376 5.181 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 10 ILE MD 2 3 ASN HA 6.030 . 6.530 4.939 4.582 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 10 ILE MD 2 3 ASN QB 5.300 . 5.800 3.839 3.464 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 10 ILE MD 2 4 GLN H 5.120 . 5.620 3.914 3.704 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 10 ILE MD 2 4 GLN HA 4.240 . 4.740 2.062 1.991 2.128 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 10 ILE MD 2 4 GLN HB2 5.240 . 5.740 3.866 3.620 4.143 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 10 ILE MD 2 4 GLN HB3 4.960 . 5.460 4.017 3.759 4.157 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 10 ILE MD 2 4 GLN HG2 6.120 . 6.620 5.140 4.985 5.263 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 10 ILE MD 2 5 HIS H 4.730 . 5.230 3.160 2.792 3.710 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 10 ILE MD 2 5 HIS HD2 4.360 . 4.860 2.520 2.346 2.873 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 10 ILE MD 2 5 HIS HE1 5.080 . 5.580 4.156 3.860 4.301 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 10 ILE QG 2 5 HIS H 5.990 . 6.490 4.284 2.876 5.093 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 10 ILE QG 2 5 HIS HD2 4.830 . 5.330 3.561 2.928 4.104 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 10 ILE QG 2 5 HIS HE1 4.060 . 4.560 3.373 3.106 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 10 ILE HG12 2 5 HIS HD2 5.050 . 5.550 3.732 3.068 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 10 ILE HG13 2 5 HIS HD2 5.050 . 5.550 4.505 3.648 5.081 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 10 ILE MG 1 11 CYS H 4.880 . 5.380 2.722 2.494 2.916 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 10 ILE MG 1 11 CYS HA 5.640 . 6.140 3.514 3.031 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 10 ILE MG 1 12 SER H 5.760 . 6.260 4.397 3.750 4.821 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 10 ILE MG 1 12 SER HA 5.460 . 5.960 4.303 3.917 4.557 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 10 ILE MG 2 3 ASN H 6.330 . 6.830 4.861 4.651 5.268 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 10 ILE MG 2 3 ASN HA 4.680 . 5.180 3.424 2.914 3.769 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 10 ILE MG 2 3 ASN QB 4.150 . 4.650 2.290 2.057 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 10 ILE MG 2 3 ASN HD21 6.610 . 7.110 3.921 3.183 4.808 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 10 ILE MG 2 3 ASN HD22 5.480 . 5.980 4.937 4.597 5.524 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 10 ILE MG 2 4 GLN H 4.360 . 4.860 2.801 2.335 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
160 1 10 ILE MG 2 4 GLN HA 4.600 . 5.100 2.900 2.616 3.080 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 10 ILE MG 2 4 GLN HB2 6.240 . 6.740 4.921 4.632 5.066 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 10 ILE MG 2 4 GLN HB3 5.700 . 6.200 4.604 4.366 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 10 ILE MG 2 4 GLN HG2 6.610 . 7.110 4.918 4.478 5.369 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 10 ILE MG 2 5 HIS H 5.520 . 6.020 4.562 4.236 4.639 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 10 ILE MG 2 5 HIS HD2 5.940 . 6.440 4.986 4.965 5.008 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 11 CYS QB 1 12 SER H 4.440 . 4.940 2.662 2.295 3.266 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 11 CYS QB 1 16 LEU H 5.990 . 6.490 4.268 3.885 4.625 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 11 CYS QB 1 16 LEU HA 5.990 . 6.490 4.435 4.011 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 11 CYS HB2 1 12 SER H 4.580 . 5.080 2.784 2.315 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
170 1 11 CYS HB3 1 12 SER H 4.580 . 5.080 3.887 2.723 4.197 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 12 SER H 1 12 SER HB2 3.690 . 4.190 2.603 2.508 3.604 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 12 SER H 1 12 SER HB3 3.690 . 4.190 3.691 2.968 3.791 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 12 SER H 1 15 GLN H 4.960 . 5.460 4.316 4.018 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 12 SER H 1 15 GLN QB 4.940 . 5.440 4.391 4.264 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 12 SER H 1 15 GLN QE 4.820 . 5.320 3.858 2.145 4.039 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 12 SER H 1 15 GLN HG2 3.930 . 4.430 2.720 2.539 2.803 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 12 SER H 1 15 GLN QG 3.600 . 4.100 2.414 2.209 2.503 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 12 SER H 1 15 GLN HG3 3.930 . 4.430 2.718 2.380 3.189 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 12 SER H 1 16 LEU H 4.750 . 5.250 4.246 3.659 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 12 SER HA 1 13 LEU H 2.630 . 3.130 2.304 2.242 2.350 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 12 SER HA 1 13 LEU HA 4.520 . 5.020 4.248 4.208 4.345 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 12 SER HA 1 13 LEU QB 5.010 . 5.510 4.380 4.299 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 12 SER HA 1 13 LEU MD2 5.960 . 6.460 3.344 3.250 3.427 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 12 SER HA 1 13 LEU HG 5.280 . 5.780 5.368 5.319 5.411 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 12 SER HA 1 14 TYR H 4.590 . 5.090 4.359 4.201 4.481 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 12 SER HA 1 15 GLN H 5.080 . 5.580 4.970 4.905 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 12 SER HA 1 15 GLN QG 5.310 . 5.810 4.136 4.045 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 12 SER HA 2 1 PHE QD 5.480 . 5.980 4.330 3.728 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 12 SER HA 2 1 PHE QE 4.750 . 5.250 2.968 2.373 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 12 SER HA 2 3 ASN QB 5.710 . 6.210 3.473 2.203 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 12 SER HA 2 3 ASN HD21 4.580 . 5.080 3.673 2.292 4.875 . 0 0 "[ . 1 . 2 . 3]" 1
192 1 12 SER QB 1 13 LEU H 3.320 . 3.820 2.592 2.480 2.689 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 12 SER QB 1 13 LEU QB 6.480 . 6.980 4.619 4.462 4.692 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 12 SER QB 1 14 TYR H 3.770 . 4.270 2.976 2.547 3.073 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 12 SER QB 1 14 TYR HB2 5.750 . 6.250 5.102 4.988 5.159 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 12 SER QB 1 14 TYR HB3 5.500 . 6.000 4.431 4.144 4.518 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 12 SER QB 1 14 TYR QD 5.230 . 5.730 2.862 2.624 2.978 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 12 SER QB 1 14 TYR QE 6.120 . 6.620 2.571 2.481 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 12 SER QB 1 15 GLN H 4.830 . 5.330 3.480 3.358 3.924 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 12 SER QB 2 3 ASN HD21 5.710 . 6.210 3.773 2.623 4.332 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 12 SER HB2 1 14 TYR H 4.230 . 4.730 3.670 2.566 3.879 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 12 SER HB3 1 14 TYR H 4.230 . 4.730 3.196 2.972 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 13 LEU H 1 13 LEU QB 3.030 . 3.530 2.533 2.481 2.579 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 13 LEU H 1 13 LEU MD1 4.970 . 5.470 3.886 3.837 3.938 . 0 0 "[ . 1 . 2 . 3]" 1
205 1 13 LEU H 1 13 LEU MD2 4.560 . 5.060 1.740 1.705 1.789 0.095 29 0 "[ . 1 . 2 . 3]" 1
206 1 13 LEU H 1 13 LEU HG 3.490 . 3.990 3.146 3.077 3.224 . 0 0 "[ . 1 . 2 . 3]" 1
207 1 13 LEU H 1 14 TYR H 3.180 . 3.680 2.736 2.699 2.792 . 0 0 "[ . 1 . 2 . 3]" 1
208 1 13 LEU H 1 14 TYR HA 5.280 . 5.780 5.343 5.316 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 13 LEU H 1 14 TYR HB3 4.850 . 5.350 4.959 4.934 4.972 . 0 0 "[ . 1 . 2 . 3]" 1
210 1 13 LEU H 1 14 TYR QD 5.340 . 5.840 4.015 3.906 4.337 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 13 LEU H 1 15 GLN H 4.400 . 4.900 4.324 4.279 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 13 LEU H 1 16 LEU H 5.060 . 5.560 4.877 4.780 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 13 LEU H 1 16 LEU HG 5.500 . 6.000 5.329 5.040 5.546 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 13 LEU H 2 1 PHE QD 5.540 . 6.040 3.502 3.063 3.868 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 13 LEU H 2 1 PHE QE 5.460 . 5.960 3.187 2.801 3.694 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 13 LEU H 2 3 ASN HA 5.400 . 5.900 4.735 4.252 5.371 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 13 LEU H 2 3 ASN QB 6.170 . 6.670 5.036 3.773 5.605 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 13 LEU H 2 3 ASN HD21 5.020 . 5.520 4.900 3.914 5.715 0.195 1 0 "[ . 1 . 2 . 3]" 1
219 1 13 LEU HA 1 13 LEU HG 3.880 . 4.380 3.815 3.773 3.851 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 13 LEU HA 1 15 GLN H 4.540 . 5.040 3.839 3.771 3.939 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 13 LEU HA 1 16 LEU HB3 3.710 . 4.210 3.491 3.284 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 13 LEU HA 1 16 LEU MD1 5.120 . 5.620 4.077 3.926 4.264 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 13 LEU HA 1 16 LEU HG 3.740 . 4.240 2.639 2.417 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 13 LEU HA 2 1 PHE QE 5.140 . 5.640 3.824 3.560 4.191 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 13 LEU QB 1 14 TYR H 3.960 . 4.460 3.423 3.348 3.480 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 13 LEU QB 1 14 TYR HA 5.150 . 5.650 4.286 4.172 4.384 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 13 LEU QB 1 14 TYR HB3 6.080 . 6.580 4.822 4.714 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 13 LEU QB 1 14 TYR QD 6.700 . 7.200 4.990 4.906 5.176 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 13 LEU QB 1 15 GLN H 5.310 . 5.810 4.793 4.771 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 13 LEU QB 1 17 GLU H 5.520 . 6.020 4.721 4.579 4.844 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 13 LEU QB 2 1 PHE QB 6.430 . 6.930 3.146 2.550 3.532 . 0 0 "[ . 1 . 2 . 3]" 1
232 1 13 LEU QB 2 1 PHE QD 5.580 . 6.080 2.882 2.518 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
233 1 13 LEU QB 2 1 PHE QE 6.040 . 6.540 3.335 2.969 4.016 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 13 LEU QB 2 18 VAL MG2 6.630 . 7.130 3.591 2.831 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 13 LEU MD1 1 14 TYR H 4.840 . 5.340 3.950 3.860 4.004 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 13 LEU MD1 1 14 TYR QD 6.120 . 6.620 4.499 4.374 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 13 LEU MD1 1 17 GLU QG 6.130 . 6.630 4.517 4.249 4.575 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 13 LEU MD1 2 1 PHE QB 5.690 . 6.190 2.562 2.294 3.029 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 13 LEU MD1 2 1 PHE QD 5.570 . 6.070 3.561 3.192 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 13 LEU MD2 1 14 TYR H 4.920 . 5.420 2.688 2.538 2.879 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 13 LEU MD2 1 14 TYR QD 6.580 . 7.080 2.850 2.712 3.007 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 13 LEU MD2 1 15 GLN H 6.280 . 6.780 4.869 4.756 5.021 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 13 LEU MD2 2 1 PHE QB 5.800 . 6.300 2.871 2.430 3.611 . 0 0 "[ . 1 . 2 . 3]" 1
244 1 13 LEU MD2 2 1 PHE QD 5.160 . 5.660 2.363 2.241 2.598 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 13 LEU MD2 2 1 PHE QE 6.030 . 6.530 3.594 3.243 3.991 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 13 LEU HG 1 14 TYR H 4.040 . 4.540 2.245 2.138 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 13 LEU HG 1 14 TYR HA 4.580 . 5.080 3.531 3.371 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
248 1 13 LEU HG 1 14 TYR QD 5.310 . 5.810 3.368 3.231 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 13 LEU HG 1 17 GLU QG 5.770 . 6.270 4.979 4.678 5.169 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 14 TYR H 1 14 TYR HA 2.920 . 3.420 2.828 2.794 2.848 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 14 TYR H 1 14 TYR HB3 3.090 . 3.590 2.447 2.372 2.499 . 0 0 "[ . 1 . 2 . 3]" 1
252 1 14 TYR H 1 14 TYR QD 4.040 . 4.540 2.559 2.445 2.770 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 14 TYR H 1 16 LEU HB3 5.500 . 6.000 5.543 5.495 5.580 . 0 0 "[ . 1 . 2 . 3]" 1
254 1 14 TYR H 1 17 GLU H 5.130 . 5.630 5.048 4.899 5.158 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 14 TYR H 1 17 GLU QG 5.990 . 6.490 5.061 4.589 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
256 1 14 TYR HB2 1 15 GLN H 4.310 . 4.810 4.225 4.171 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 14 TYR HB2 1 15 GLN HA 4.790 . 5.290 4.877 4.855 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 14 TYR HB2 1 15 GLN QG 5.990 . 6.490 5.173 5.031 5.370 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 14 TYR HB3 1 15 GLN H 4.450 . 4.950 4.296 4.189 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 14 TYR HB3 1 15 GLN QG 5.990 . 6.490 5.293 5.116 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 14 TYR QD 1 15 GLN H 4.700 . 5.200 3.570 3.474 3.685 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 14 TYR QD 1 15 GLN HA 4.510 . 5.010 3.579 3.478 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 14 TYR QD 1 15 GLN QB 5.850 . 6.350 2.808 2.656 3.030 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 14 TYR QD 1 15 GLN QG 4.980 . 5.480 3.613 3.447 3.913 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 14 TYR QE 1 15 GLN HA 5.670 . 6.170 4.973 4.762 5.070 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 14 TYR QE 1 15 GLN QG 6.010 . 6.510 3.613 3.426 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 15 GLN H 1 15 GLN QG 3.210 . 3.710 2.218 2.114 2.364 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 15 GLN H 1 16 LEU H 3.060 . 3.560 1.954 1.915 2.022 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 15 GLN H 1 16 LEU HB3 4.470 . 4.970 3.859 3.734 4.000 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 15 GLN H 1 16 LEU MD1 6.610 . 7.110 5.590 5.554 5.628 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 15 GLN H 1 16 LEU MD2 6.270 . 6.770 4.542 4.376 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 15 GLN H 1 16 LEU HG 4.690 . 5.190 4.429 4.309 4.566 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 15 GLN H 1 17 GLU H 4.320 . 4.820 3.481 3.334 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 15 GLN HA 1 18 ASN H 3.720 . 4.220 3.517 3.408 3.658 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 15 GLN HA 1 18 ASN HA 5.500 . 6.000 5.430 5.174 5.604 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 15 GLN HA 1 18 ASN HB2 4.030 . 4.530 3.252 2.577 3.906 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 15 GLN HA 1 18 ASN HB3 4.850 . 5.350 4.541 3.805 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 15 GLN HA 1 18 ASN HD21 3.920 . 4.420 3.318 1.998 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 15 GLN QB 1 16 LEU H 4.120 . 4.620 3.635 3.528 3.690 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 15 GLN QB 1 19 TYR QD 6.500 . 7.000 4.945 4.683 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
281 1 15 GLN QG 1 16 LEU H 3.760 . 4.260 2.398 2.219 2.516 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 15 GLN QG 1 16 LEU HA 5.540 . 6.040 3.778 3.628 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 15 GLN QG 1 16 LEU HG 5.990 . 6.490 4.972 4.833 5.163 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 16 LEU H 1 16 LEU HB3 2.780 . 3.280 2.114 2.030 2.193 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 16 LEU H 1 17 GLU QG 5.990 . 6.490 4.691 4.015 4.909 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 16 LEU H 1 18 ASN H 4.520 . 5.020 4.143 4.016 4.322 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 16 LEU H 1 18 ASN HB2 5.500 . 6.000 5.215 4.934 5.471 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 16 LEU H 1 19 TYR QD 5.120 . 5.620 4.599 4.539 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
289 1 16 LEU H 1 19 TYR QE 5.660 . 6.160 4.851 4.544 5.053 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 16 LEU HA 1 16 LEU MD1 4.080 . 4.580 3.281 3.158 3.382 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 16 LEU HA 1 16 LEU HG 3.750 . 4.250 3.686 3.661 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 16 LEU HA 1 18 ASN H 3.980 . 4.480 3.769 3.485 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 16 LEU HA 1 19 TYR HB3 5.500 . 6.000 5.316 5.210 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 16 LEU HA 1 19 TYR QD 3.110 . 3.610 2.128 2.043 2.255 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 16 LEU HA 1 19 TYR QE 3.660 . 4.160 3.103 2.905 3.279 . 0 0 "[ . 1 . 2 . 3]" 1
296 1 16 LEU HB2 1 19 TYR QE 6.110 . 6.610 4.911 4.660 5.181 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 16 LEU HB3 1 18 ASN H 5.500 . 6.000 5.474 5.333 5.558 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 16 LEU HB3 1 19 TYR QD 5.480 . 5.980 4.788 4.652 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 16 LEU MD1 1 17 GLU H 4.110 . 4.610 3.420 3.208 3.517 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 16 LEU MD1 1 19 TYR QD 5.840 . 6.340 4.211 4.090 4.356 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 16 LEU MD2 2 14 ALA H 6.610 . 7.110 5.505 5.368 5.566 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 16 LEU MD2 2 14 ALA MB 4.460 . 4.960 2.535 2.398 2.673 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 16 LEU MD2 2 18 VAL HB 5.160 . 5.660 4.378 4.332 4.452 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 16 LEU MD2 2 18 VAL MG2 4.720 . 5.220 2.254 2.090 2.596 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 16 LEU HG 1 17 GLU H 3.260 . 3.760 2.475 2.259 2.636 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 16 LEU HG 1 17 GLU QG 5.340 . 5.840 3.583 3.372 3.941 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 16 LEU HG 1 18 ASN H 4.840 . 5.340 4.928 4.726 4.973 . 0 0 "[ . 1 . 2 . 3]" 1
308 1 16 LEU HG 1 19 TYR QD 5.880 . 6.380 5.318 5.287 5.371 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 16 LEU HG 2 18 VAL HB 4.650 . 5.150 3.941 3.698 4.193 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 16 LEU HG 2 18 VAL MG2 4.040 . 4.540 2.463 2.313 2.691 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 17 GLU H 1 17 GLU HA 2.810 . 3.310 2.822 2.781 2.871 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 17 GLU H 1 17 GLU QB 3.480 . 3.980 2.350 2.265 2.452 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 17 GLU H 1 17 GLU HG2 4.100 . 4.600 3.722 3.437 3.936 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 17 GLU H 1 17 GLU QG 3.730 . 4.230 2.607 2.155 2.777 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 17 GLU H 1 17 GLU HG3 4.100 . 4.600 2.664 2.178 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 17 GLU H 1 18 ASN H 3.090 . 3.590 2.764 2.605 2.905 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 17 GLU H 1 19 TYR QD 5.020 . 5.520 4.547 4.475 4.627 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 17 GLU H 2 18 VAL MG2 5.480 . 5.980 3.926 3.576 4.255 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 17 GLU HA 1 18 ASN HA 5.030 . 5.530 4.873 4.819 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 17 GLU HA 2 18 VAL MG2 4.880 . 5.380 3.550 2.776 4.088 . 0 0 "[ . 1 . 2 . 3]" 1
321 1 17 GLU QB 1 18 ASN H 4.110 . 4.610 2.754 2.504 3.756 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 17 GLU QB 2 18 VAL MG1 5.650 . 6.150 3.683 2.211 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 17 GLU QB 2 18 VAL MG2 6.970 . 7.470 4.532 2.480 5.060 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 17 GLU HB2 1 18 ASN H 4.250 . 4.750 2.896 2.584 4.287 . 0 0 "[ . 1 . 2 . 3]" 1
325 1 17 GLU HB3 1 18 ASN H 4.250 . 4.750 3.502 3.295 4.205 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 17 GLU QG 1 18 ASN H 5.970 . 6.470 4.226 2.909 4.433 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 17 GLU HG2 2 18 VAL MG1 4.240 . 4.740 2.730 2.281 3.259 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 17 GLU HG2 2 18 VAL MG2 5.140 . 5.640 3.735 3.207 4.164 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 17 GLU HG3 2 18 VAL MG1 4.240 . 4.740 2.174 2.017 3.327 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 17 GLU HG3 2 18 VAL MG2 5.140 . 5.640 3.635 3.296 4.394 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 18 ASN H 1 18 ASN HB2 2.890 . 3.390 2.254 2.049 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 18 ASN H 1 18 ASN HB3 3.370 . 3.870 3.330 2.936 3.570 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 18 ASN H 1 18 ASN HD21 4.400 . 4.900 3.391 2.064 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 18 ASN H 1 18 ASN HD22 5.120 . 5.620 4.526 3.495 5.238 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 18 ASN H 1 19 TYR H 3.030 . 3.530 2.740 2.666 2.840 . 0 0 "[ . 1 . 2 . 3]" 1
336 1 18 ASN H 1 19 TYR HB2 5.110 . 5.610 4.865 4.748 5.005 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 18 ASN H 1 19 TYR QE 5.750 . 6.250 4.696 4.353 5.025 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 18 ASN H 2 15 LEU MD1 6.610 . 7.110 5.370 4.687 5.574 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 18 ASN H 2 18 VAL MG1 6.610 . 7.110 5.636 5.529 5.708 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 18 ASN HA 1 18 ASN HD21 4.520 . 5.020 3.451 2.142 4.528 . 0 0 "[ . 1 . 2 . 3]" 1
341 1 18 ASN HA 1 18 ASN HD22 4.760 . 5.260 4.026 3.580 4.742 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 18 ASN HA 1 19 TYR H 3.540 . 4.040 3.470 3.389 3.518 . 0 0 "[ . 1 . 2 . 3]" 1
343 1 18 ASN HA 1 20 CYS H 3.980 . 4.480 3.874 3.701 4.018 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 18 ASN HA 1 20 CYS QB 5.920 . 6.420 4.671 4.349 5.014 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 18 ASN HA 1 21 ASN H 4.940 . 5.440 4.254 3.281 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 18 ASN HB2 1 18 ASN HD22 3.970 . 4.470 3.622 3.498 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 18 ASN HB2 1 19 TYR H 3.720 . 4.220 3.411 2.928 3.809 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 18 ASN HB2 1 19 TYR QD 4.780 . 5.280 3.474 2.733 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 18 ASN HB2 1 19 TYR QE 5.260 . 5.760 3.853 3.137 4.721 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 18 ASN HB2 1 20 CYS H 5.500 . 6.000 5.334 5.028 5.561 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 18 ASN HB3 1 19 TYR H 3.870 . 4.370 3.606 3.006 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 18 ASN HB3 1 19 TYR QD 4.760 . 5.260 3.903 3.133 4.278 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 18 ASN HB3 1 19 TYR QE 5.050 . 5.550 4.246 3.460 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 19 TYR H 1 19 TYR HB2 3.030 . 3.530 2.384 2.334 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 19 TYR H 1 19 TYR HB3 3.770 . 4.270 3.571 3.541 3.612 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 19 TYR H 1 19 TYR QD 3.310 . 3.810 2.185 2.020 2.521 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 19 TYR H 1 19 TYR QE 5.240 . 5.740 4.352 4.226 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 19 TYR H 1 20 CYS H 2.860 . 3.360 2.515 2.313 2.656 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 19 TYR H 1 20 CYS HA 5.140 . 5.640 5.054 4.875 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 19 TYR H 1 20 CYS HB2 5.080 . 5.580 4.495 4.287 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 19 TYR H 1 20 CYS HB3 5.080 . 5.580 4.892 4.666 5.075 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 19 TYR H 2 15 LEU MD1 5.030 . 5.530 4.015 3.481 4.223 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 19 TYR HA 1 19 TYR QD 3.510 . 4.010 3.023 2.650 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 19 TYR HA 1 20 CYS H 3.480 . 3.980 3.390 3.317 3.471 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 19 TYR HA 1 21 ASN H 4.270 . 4.770 3.771 3.261 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 19 TYR HB2 2 15 LEU MD1 4.130 . 4.630 3.079 2.787 3.303 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 19 TYR HB2 2 15 LEU MD2 4.840 . 5.340 3.709 3.286 4.029 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 19 TYR HB3 1 21 ASN H 5.500 . 6.000 5.464 4.992 5.555 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 20 CYS H 1 20 CYS HB2 3.180 . 3.680 2.438 2.359 2.603 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 20 CYS H 1 20 CYS QB 2.970 . 3.470 2.214 2.159 2.321 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 20 CYS H 1 20 CYS HB3 3.180 . 3.680 2.543 2.434 2.635 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 20 CYS H 1 21 ASN H 3.200 . 3.700 2.547 2.216 2.841 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 20 CYS H 1 21 ASN HA 5.500 . 6.000 5.224 4.829 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 20 CYS H 2 15 LEU MD1 5.670 . 6.170 3.382 2.884 4.017 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 20 CYS HA 2 15 LEU MD1 4.850 . 5.350 2.868 2.218 3.393 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 20 CYS QB 1 21 ASN H 3.780 . 4.280 2.869 2.613 3.383 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 21 ASN H 1 21 ASN HB2 3.660 . 4.160 2.838 2.291 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 21 ASN H 1 21 ASN QB 3.500 . 4.000 2.447 2.197 2.861 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 21 ASN H 1 21 ASN HB3 3.660 . 4.160 2.957 2.362 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
380 2 1 PHE HA 2 1 PHE QD 3.640 . 4.140 2.758 2.535 2.911 . 0 0 "[ . 1 . 2 . 3]" 1
381 2 1 PHE HA 2 1 PHE QE 5.460 . 5.960 4.595 4.476 4.665 . 0 0 "[ . 1 . 2 . 3]" 1
382 2 1 PHE HA 2 2 VAL CB 6.000 . 6.500 4.811 4.753 4.927 . 0 0 "[ . 1 . 2 . 3]" 1
383 2 1 PHE HA 2 2 VAL H 2.530 . 3.030 2.417 2.356 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
384 2 1 PHE QB 2 2 VAL H 3.890 . 4.390 3.370 3.198 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
385 2 1 PHE QB 2 3 ASN H 5.930 . 6.430 5.156 4.904 5.318 . 0 0 "[ . 1 . 2 . 3]" 1
386 2 1 PHE QD 2 2 VAL H 4.430 . 4.930 3.001 2.802 3.159 . 0 0 "[ . 1 . 2 . 3]" 1
387 2 1 PHE QD 2 3 ASN H 5.190 . 5.690 3.665 3.416 4.093 . 0 0 "[ . 1 . 2 . 3]" 1
388 2 1 PHE QD 2 3 ASN HA 4.340 . 4.840 3.809 3.513 3.909 . 0 0 "[ . 1 . 2 . 3]" 1
389 2 1 PHE QD 2 3 ASN QB 6.390 . 6.890 4.734 4.315 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
390 2 1 PHE QD 2 18 VAL MG2 7.120 . 7.620 4.088 3.346 5.090 . 0 0 "[ . 1 . 2 . 3]" 1
391 2 1 PHE QE 2 3 ASN HA 4.190 . 4.690 2.485 2.231 2.999 . 0 0 "[ . 1 . 2 . 3]" 1
392 2 1 PHE QE 2 3 ASN QB 6.210 . 6.710 4.119 3.604 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
393 2 1 PHE QE 2 4 GLN H 5.440 . 5.940 3.880 3.551 4.132 . 0 0 "[ . 1 . 2 . 3]" 1
394 2 1 PHE QE 2 6 LEU MD1 5.490 . 5.990 2.986 2.389 3.449 . 0 0 "[ . 1 . 2 . 3]" 1
395 2 1 PHE QE 2 14 ALA HA 5.500 . 6.000 3.181 2.444 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
396 2 1 PHE QE 2 14 ALA MB 6.300 . 6.800 2.451 2.159 2.758 . 0 0 "[ . 1 . 2 . 3]" 1
397 2 1 PHE QE 2 18 VAL MG2 6.000 . 6.500 3.535 2.684 4.392 . 0 0 "[ . 1 . 2 . 3]" 1
398 2 1 PHE HZ 2 3 ASN HA 5.330 . 5.830 4.177 3.535 5.120 . 0 0 "[ . 1 . 2 . 3]" 1
399 2 1 PHE HZ 2 6 LEU MD1 4.770 . 5.270 2.509 2.285 2.932 . 0 0 "[ . 1 . 2 . 3]" 1
400 2 1 PHE HZ 2 6 LEU MD2 6.040 . 6.540 4.461 3.998 4.991 . 0 0 "[ . 1 . 2 . 3]" 1
401 2 1 PHE HZ 2 14 ALA MB 6.110 . 6.610 3.236 2.313 4.327 . 0 0 "[ . 1 . 2 . 3]" 1
402 2 1 PHE HZ 2 18 VAL MG2 6.320 . 6.820 4.500 3.512 5.274 . 0 0 "[ . 1 . 2 . 3]" 1
403 2 2 VAL CB 2 3 ASN H 5.400 . 5.900 3.590 3.343 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
404 2 2 VAL CB 2 3 ASN HA 6.630 . 7.130 5.148 5.023 5.213 . 0 0 "[ . 1 . 2 . 3]" 1
405 2 2 VAL CB 2 3 ASN QB 7.120 . 7.620 5.436 5.171 5.666 . 0 0 "[ . 1 . 2 . 3]" 1
406 2 2 VAL CB 2 4 GLN H 6.720 . 7.220 5.751 5.330 5.984 . 0 0 "[ . 1 . 2 . 3]" 1
407 2 2 VAL CB 2 4 GLN HE22 6.550 . 7.050 4.551 3.669 6.559 . 0 0 "[ . 1 . 2 . 3]" 1
408 2 2 VAL CB 2 4 GLN HG2 6.420 . 6.920 4.701 3.412 5.380 . 0 0 "[ . 1 . 2 . 3]" 1
409 2 2 VAL CB 2 5 HIS H 7.700 . 8.200 7.802 7.736 7.854 . 0 0 "[ . 1 . 2 . 3]" 1
410 2 2 VAL H 2 3 ASN H 4.380 . 4.880 4.173 4.081 4.312 . 0 0 "[ . 1 . 2 . 3]" 1
411 2 2 VAL HA 2 3 ASN H 2.410 . 2.910 2.160 2.100 2.210 . 0 0 "[ . 1 . 2 . 3]" 1
412 2 2 VAL HA 2 3 ASN HA 4.650 . 5.150 4.453 4.378 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
413 2 2 VAL HA 2 3 ASN QB 5.430 . 5.930 4.429 4.131 4.620 . 0 0 "[ . 1 . 2 . 3]" 1
414 2 2 VAL HB 2 3 ASN H 4.550 . 5.050 4.183 2.960 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
415 2 3 ASN H 2 3 ASN QB 3.080 . 3.580 2.475 2.123 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
416 2 3 ASN H 2 3 ASN HD21 4.690 . 5.190 4.024 2.246 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
417 2 3 ASN H 2 3 ASN HD22 4.380 . 4.880 4.291 2.986 4.543 . 0 0 "[ . 1 . 2 . 3]" 1
418 2 3 ASN HA 2 3 ASN HD22 4.670 . 5.170 4.540 4.004 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
419 2 3 ASN HA 2 4 GLN H 2.560 . 3.060 2.178 2.120 2.232 . 0 0 "[ . 1 . 2 . 3]" 1
420 2 3 ASN HA 2 4 GLN HA 4.880 . 5.380 4.502 4.442 4.538 . 0 0 "[ . 1 . 2 . 3]" 1
421 2 3 ASN HA 2 4 GLN HB3 4.750 . 5.250 4.505 4.243 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
422 2 3 ASN HA 2 4 GLN HG2 4.500 . 5.000 3.879 3.679 4.085 . 0 0 "[ . 1 . 2 . 3]" 1
423 2 3 ASN QB 2 3 ASN HD22 3.470 . 3.970 3.238 3.177 3.346 . 0 0 "[ . 1 . 2 . 3]" 1
424 2 3 ASN QB 2 4 GLN H 4.190 . 4.690 3.387 3.060 3.628 . 0 0 "[ . 1 . 2 . 3]" 1
425 2 3 ASN QB 2 4 GLN HA 5.130 . 5.630 4.330 4.200 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
426 2 3 ASN QB 2 4 GLN HB3 5.690 . 6.190 4.900 4.819 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
427 2 4 GLN H 2 4 GLN HB2 4.170 . 4.670 4.006 3.939 4.075 . 0 0 "[ . 1 . 2 . 3]" 1
428 2 4 GLN H 2 4 GLN HB3 3.670 . 4.170 3.404 3.298 3.592 . 0 0 "[ . 1 . 2 . 3]" 1
429 2 4 GLN H 2 4 GLN HG2 3.500 . 4.000 2.608 2.400 3.062 . 0 0 "[ . 1 . 2 . 3]" 1
430 2 4 GLN H 2 4 GLN HG3 3.730 . 4.230 3.500 2.726 3.734 . 0 0 "[ . 1 . 2 . 3]" 1
431 2 4 GLN H 2 5 HIS H 4.430 . 4.930 4.352 4.301 4.397 . 0 0 "[ . 1 . 2 . 3]" 1
432 2 4 GLN H 2 6 LEU MD1 5.940 . 6.440 3.923 3.602 4.257 . 0 0 "[ . 1 . 2 . 3]" 1
433 2 4 GLN H 2 6 LEU MD2 5.700 . 6.200 4.740 4.452 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
434 2 4 GLN H 2 6 LEU HG 5.060 . 5.560 3.979 3.716 4.138 . 0 0 "[ . 1 . 2 . 3]" 1
435 2 4 GLN HA 2 4 GLN HG2 3.890 . 4.390 3.736 3.657 3.849 . 0 0 "[ . 1 . 2 . 3]" 1
436 2 4 GLN HA 2 5 HIS H 2.690 . 3.190 2.537 2.405 2.632 . 0 0 "[ . 1 . 2 . 3]" 1
437 2 4 GLN HA 2 5 HIS HD2 4.060 . 4.560 3.606 3.480 3.721 . 0 0 "[ . 1 . 2 . 3]" 1
438 2 4 GLN HB2 2 5 HIS H 3.500 . 4.000 2.132 1.973 2.246 . 0 0 "[ . 1 . 2 . 3]" 1
439 2 4 GLN HB2 2 6 LEU MD2 5.220 . 5.720 4.326 4.195 4.377 . 0 0 "[ . 1 . 2 . 3]" 1
440 2 4 GLN HB3 2 4 GLN HE21 4.460 . 4.960 3.641 3.073 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
441 2 4 GLN HB3 2 4 GLN HE22 4.720 . 5.220 4.234 3.878 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
442 2 4 GLN HB3 2 5 HIS H 3.910 . 4.410 3.608 3.461 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
443 2 4 GLN HB3 2 5 HIS HD2 5.330 . 5.830 5.258 4.793 5.398 . 0 0 "[ . 1 . 2 . 3]" 1
444 2 4 GLN HE21 2 6 LEU MD1 5.520 . 6.020 3.724 3.214 4.614 . 0 0 "[ . 1 . 2 . 3]" 1
445 2 4 GLN HE21 2 6 LEU MD2 5.070 . 5.570 2.841 2.300 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
446 2 4 GLN HE22 2 6 LEU MD2 4.910 . 5.410 3.265 2.571 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
447 2 4 GLN HG2 2 5 HIS H 4.550 . 5.050 4.189 3.964 4.571 . 0 0 "[ . 1 . 2 . 3]" 1
448 2 4 GLN HG2 2 6 LEU MD2 4.800 . 5.300 2.970 2.770 3.641 . 0 0 "[ . 1 . 2 . 3]" 1
449 2 4 GLN HG2 2 6 LEU HG 4.870 . 5.370 3.090 2.685 3.988 . 0 0 "[ . 1 . 2 . 3]" 1
450 2 4 GLN HG3 2 5 HIS H 3.920 . 4.420 3.127 2.905 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
451 2 4 GLN HG3 2 6 LEU MD2 4.310 . 4.810 2.438 2.320 2.716 . 0 0 "[ . 1 . 2 . 3]" 1
452 2 4 GLN HG3 2 6 LEU HG 4.640 . 5.140 2.353 2.188 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
453 2 5 HIS H 2 5 HIS HB2 3.040 . 3.540 2.459 2.387 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
454 2 5 HIS H 2 5 HIS HB3 3.690 . 4.190 3.637 3.592 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
455 2 5 HIS H 2 5 HIS HD2 3.260 . 3.760 2.450 2.226 2.568 . 0 0 "[ . 1 . 2 . 3]" 1
456 2 5 HIS H 2 6 LEU H 4.870 . 5.370 4.551 4.486 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
457 2 5 HIS H 2 6 LEU HG 5.080 . 5.580 4.382 4.170 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
458 2 5 HIS HA 2 5 HIS HE1 5.370 . 5.870 5.181 5.002 5.294 . 0 0 "[ . 1 . 2 . 3]" 1
459 2 5 HIS HA 2 6 LEU H 3.240 . 3.740 2.200 2.162 2.248 . 0 0 "[ . 1 . 2 . 3]" 1
460 2 5 HIS HA 2 6 LEU QB 5.140 . 5.640 4.292 4.213 4.395 . 0 0 "[ . 1 . 2 . 3]" 1
461 2 5 HIS HA 2 6 LEU HG 4.750 . 5.250 3.887 3.756 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
462 2 5 HIS HB2 2 5 HIS HD2 3.310 . 3.810 2.770 2.735 2.810 . 0 0 "[ . 1 . 2 . 3]" 1
463 2 5 HIS HB2 2 6 LEU H 4.350 . 4.850 4.219 4.089 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
464 2 5 HIS HB3 2 5 HIS HD2 3.970 . 4.470 3.883 3.863 3.904 . 0 0 "[ . 1 . 2 . 3]" 1
465 2 5 HIS HB3 2 6 LEU H 4.100 . 4.600 3.287 3.084 3.437 . 0 0 "[ . 1 . 2 . 3]" 1
466 2 6 LEU H 2 6 LEU MD1 5.370 . 5.870 4.107 4.003 4.228 . 0 0 "[ . 1 . 2 . 3]" 1
467 2 6 LEU H 2 6 LEU MD2 5.390 . 5.890 4.082 3.993 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
468 2 6 LEU H 2 6 LEU HG 4.180 . 4.680 3.232 3.113 3.380 . 0 0 "[ . 1 . 2 . 3]" 1
469 2 6 LEU H 2 7 CYS H 4.710 . 5.210 4.346 4.224 4.402 . 0 0 "[ . 1 . 2 . 3]" 1
470 2 6 LEU H 2 11 LEU MD1 6.040 . 6.540 3.897 3.735 4.023 . 0 0 "[ . 1 . 2 . 3]" 1
471 2 6 LEU HA 2 6 LEU MD2 3.250 . 3.750 2.200 2.152 2.259 . 0 0 "[ . 1 . 2 . 3]" 1
472 2 6 LEU HA 2 6 LEU HG 3.790 . 4.290 3.098 3.005 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
473 2 6 LEU HA 2 7 CYS H 2.660 . 3.160 2.163 2.108 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
474 2 6 LEU HA 2 10 HIS HB3 2.880 . 3.380 2.610 2.452 2.846 . 0 0 "[ . 1 . 2 . 3]" 1
475 2 6 LEU HA 2 11 LEU MD1 4.880 . 5.380 4.111 4.079 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
476 2 6 LEU QB 2 7 CYS H 4.830 . 5.330 3.163 3.007 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
477 2 6 LEU QB 2 10 HIS HB3 4.960 . 5.460 3.027 2.790 3.186 . 0 0 "[ . 1 . 2 . 3]" 1
478 2 6 LEU QB 2 11 LEU HA 4.270 . 4.770 2.386 2.283 2.518 . 0 0 "[ . 1 . 2 . 3]" 1
479 2 6 LEU QB 2 11 LEU MD1 4.500 . 5.000 2.051 1.962 2.187 . 0 0 "[ . 1 . 2 . 3]" 1
480 2 6 LEU MD1 2 11 LEU HA 3.880 . 4.380 2.944 2.729 3.272 . 0 0 "[ . 1 . 2 . 3]" 1
481 2 6 LEU MD1 2 14 ALA H 4.590 . 5.090 3.868 3.577 3.911 . 0 0 "[ . 1 . 2 . 3]" 1
482 2 6 LEU MD1 2 14 ALA MB 3.880 . 4.380 1.950 1.891 1.997 . 0 0 "[ . 1 . 2 . 3]" 1
483 2 6 LEU MD2 2 7 CYS H 4.430 . 4.930 3.646 3.539 3.736 . 0 0 "[ . 1 . 2 . 3]" 1
484 2 6 LEU MD2 2 10 HIS H 6.290 . 6.790 5.006 4.877 5.098 . 0 0 "[ . 1 . 2 . 3]" 1
485 2 6 LEU MD2 2 10 HIS HB2 4.520 . 5.020 3.757 3.488 3.796 . 0 0 "[ . 1 . 2 . 3]" 1
486 2 6 LEU MD2 2 10 HIS HB3 3.750 . 4.250 2.383 2.080 2.432 . 0 0 "[ . 1 . 2 . 3]" 1
487 2 6 LEU MD2 2 10 HIS HD2 5.440 . 5.940 4.455 4.340 4.592 . 0 0 "[ . 1 . 2 . 3]" 1
488 2 6 LEU MD2 2 10 HIS HE1 5.670 . 6.170 3.681 3.603 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
489 2 6 LEU MD2 2 14 ALA H 6.170 . 6.670 4.005 3.640 4.390 . 0 0 "[ . 1 . 2 . 3]" 1
490 2 6 LEU HG 2 7 CYS H 5.310 . 5.810 5.121 5.027 5.175 . 0 0 "[ . 1 . 2 . 3]" 1
491 2 7 CYS H 2 7 CYS HB2 4.000 . 4.500 2.997 2.671 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
492 2 7 CYS H 2 7 CYS QB 3.740 . 4.240 2.745 2.621 2.830 . 0 0 "[ . 1 . 2 . 3]" 1
493 2 7 CYS H 2 7 CYS HB3 4.000 . 4.500 3.305 2.977 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
494 2 7 CYS H 2 8 GLY H 4.910 . 5.410 4.310 2.264 4.437 . 0 0 "[ . 1 . 2 . 3]" 1
495 2 7 CYS H 2 10 HIS H 4.330 . 4.830 3.948 3.832 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
496 2 7 CYS H 2 10 HIS HB2 3.510 . 4.010 2.828 2.690 3.074 . 0 0 "[ . 1 . 2 . 3]" 1
497 2 7 CYS H 2 10 HIS HB3 3.640 . 4.140 2.439 2.327 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
498 2 7 CYS H 2 10 HIS HD2 4.980 . 5.480 4.787 4.657 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
499 2 7 CYS H 2 11 LEU H 4.620 . 5.120 3.347 3.197 3.691 . 0 0 "[ . 1 . 2 . 3]" 1
500 2 7 CYS H 2 11 LEU HA 4.760 . 5.260 4.618 4.458 4.785 . 0 0 "[ . 1 . 2 . 3]" 1
501 2 7 CYS H 2 11 LEU HB2 4.580 . 5.080 3.325 3.074 3.493 . 0 0 "[ . 1 . 2 . 3]" 1
502 2 7 CYS H 2 11 LEU HB3 5.380 . 5.880 4.798 4.560 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
503 2 7 CYS H 2 11 LEU MD2 5.960 . 6.460 4.665 4.307 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
504 2 7 CYS HA 2 8 GLY HA3 4.920 . 5.420 4.584 4.510 5.191 . 0 0 "[ . 1 . 2 . 3]" 1
505 2 7 CYS HA 2 11 LEU HB2 4.530 . 5.030 2.498 2.270 2.976 . 0 0 "[ . 1 . 2 . 3]" 1
506 2 7 CYS HA 2 11 LEU HB3 4.830 . 5.330 3.629 3.427 4.128 . 0 0 "[ . 1 . 2 . 3]" 1
507 2 7 CYS HA 2 11 LEU MD1 5.930 . 6.430 3.544 3.309 3.918 . 0 0 "[ . 1 . 2 . 3]" 1
508 2 7 CYS HA 2 11 LEU MD2 4.860 . 5.360 2.603 2.322 2.934 . 0 0 "[ . 1 . 2 . 3]" 1
509 2 7 CYS QB 2 8 GLY H 3.980 . 4.480 3.301 2.440 3.512 . 0 0 "[ . 1 . 2 . 3]" 1
510 2 7 CYS QB 2 8 GLY HA3 4.930 . 5.430 4.161 3.760 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
511 2 7 CYS QB 2 11 LEU MD2 6.770 . 7.270 4.355 4.195 4.644 . 0 0 "[ . 1 . 2 . 3]" 1
512 2 7 CYS HB2 2 8 GLY H 4.210 . 4.710 4.149 3.656 4.256 . 0 0 "[ . 1 . 2 . 3]" 1
513 2 7 CYS HB3 2 8 GLY H 4.210 . 4.710 3.480 2.478 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
514 2 8 GLY H 2 9 SER H 4.600 . 5.100 4.567 3.816 4.641 . 0 0 "[ . 1 . 2 . 3]" 1
515 2 8 GLY H 2 11 LEU HB2 5.110 . 5.610 3.393 3.141 3.749 . 0 0 "[ . 1 . 2 . 3]" 1
516 2 8 GLY H 2 11 LEU HB3 5.120 . 5.620 3.443 3.274 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
517 2 8 GLY H 2 11 LEU MD2 5.670 . 6.170 3.292 3.001 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
518 2 8 GLY HA2 2 9 SER H 3.240 . 3.740 3.190 3.062 3.244 . 0 0 "[ . 1 . 2 . 3]" 1
519 2 8 GLY HA2 2 10 HIS H 4.870 . 5.370 4.869 4.734 4.913 . 0 0 "[ . 1 . 2 . 3]" 1
520 2 8 GLY HA3 2 9 SER H 2.990 . 3.490 2.150 2.128 2.217 . 0 0 "[ . 1 . 2 . 3]" 1
521 2 8 GLY HA3 2 10 HIS H 4.130 . 4.630 3.892 3.683 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
522 2 9 SER H 2 9 SER QB 3.490 . 3.990 2.452 2.194 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
523 2 9 SER H 2 10 HIS H 3.400 . 3.900 2.918 2.809 2.956 . 0 0 "[ . 1 . 2 . 3]" 1
524 2 9 SER H 2 10 HIS HA 5.500 . 6.000 5.513 5.424 5.530 . 0 0 "[ . 1 . 2 . 3]" 1
525 2 9 SER H 2 10 HIS HB2 5.160 . 5.660 4.759 4.461 4.822 . 0 0 "[ . 1 . 2 . 3]" 1
526 2 9 SER H 2 11 LEU H 5.070 . 5.570 4.343 4.253 4.560 . 0 0 "[ . 1 . 2 . 3]" 1
527 2 9 SER H 2 12 VAL CB 6.940 . 7.440 5.936 5.791 6.269 . 0 0 "[ . 1 . 2 . 3]" 1
528 2 9 SER H 2 12 VAL HB 5.500 . 6.000 5.122 4.963 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
529 2 9 SER HA 2 10 HIS HA 4.850 . 5.350 4.841 4.811 4.940 . 0 0 "[ . 1 . 2 . 3]" 1
530 2 9 SER HA 2 12 VAL CB 5.150 . 5.650 3.555 3.464 3.723 . 0 0 "[ . 1 . 2 . 3]" 1
531 2 9 SER HA 2 12 VAL H 3.900 . 4.400 3.452 3.260 3.603 . 0 0 "[ . 1 . 2 . 3]" 1
532 2 9 SER HA 2 12 VAL HB 3.140 . 3.640 2.570 2.456 2.783 . 0 0 "[ . 1 . 2 . 3]" 1
533 2 9 SER QB 2 10 HIS H 4.050 . 4.550 2.701 2.591 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
534 2 9 SER QB 2 10 HIS HA 4.980 . 5.480 4.051 3.868 4.262 . 0 0 "[ . 1 . 2 . 3]" 1
535 2 9 SER QB 2 10 HIS HD2 5.700 . 6.200 5.062 4.560 5.114 . 0 0 "[ . 1 . 2 . 3]" 1
536 2 10 HIS H 2 10 HIS HB2 3.080 . 3.580 2.071 2.037 2.121 . 0 0 "[ . 1 . 2 . 3]" 1
537 2 10 HIS H 2 10 HIS HB3 3.430 . 3.930 3.237 3.177 3.434 . 0 0 "[ . 1 . 2 . 3]" 1
538 2 10 HIS H 2 10 HIS HD2 4.230 . 4.730 4.065 3.281 4.214 . 0 0 "[ . 1 . 2 . 3]" 1
539 2 10 HIS H 2 11 LEU H 3.190 . 3.690 2.682 2.599 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
540 2 10 HIS H 2 11 LEU HB2 5.070 . 5.570 4.805 4.680 5.079 . 0 0 "[ . 1 . 2 . 3]" 1
541 2 10 HIS H 2 11 LEU HB3 5.500 . 6.000 5.032 4.887 5.309 . 0 0 "[ . 1 . 2 . 3]" 1
542 2 10 HIS H 2 12 VAL CB 7.180 . 7.680 6.076 5.995 6.246 . 0 0 "[ . 1 . 2 . 3]" 1
543 2 10 HIS H 2 12 VAL H 4.520 . 5.020 4.269 4.146 4.376 . 0 0 "[ . 1 . 2 . 3]" 1
544 2 10 HIS HA 2 10 HIS HD2 4.200 . 4.700 4.117 3.860 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
545 2 10 HIS HA 2 10 HIS HE1 4.740 . 5.240 4.668 4.641 4.720 . 0 0 "[ . 1 . 2 . 3]" 1
546 2 10 HIS HA 2 12 VAL H 5.150 . 5.650 4.637 4.125 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
547 2 10 HIS HA 2 13 GLU H 4.000 . 4.500 3.574 3.477 3.642 . 0 0 "[ . 1 . 2 . 3]" 1
548 2 10 HIS HA 2 13 GLU HB2 3.540 . 4.040 2.425 2.318 2.549 . 0 0 "[ . 1 . 2 . 3]" 1
549 2 10 HIS HA 2 13 GLU HB3 4.250 . 4.750 3.843 3.284 4.011 . 0 0 "[ . 1 . 2 . 3]" 1
550 2 10 HIS HA 2 13 GLU QG 5.050 . 5.550 3.867 3.153 4.217 . 0 0 "[ . 1 . 2 . 3]" 1
551 2 10 HIS HA 2 14 ALA H 4.240 . 4.740 4.098 4.011 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
552 2 10 HIS HA 2 14 ALA MB 6.000 . 6.500 4.790 4.666 4.931 . 0 0 "[ . 1 . 2 . 3]" 1
553 2 10 HIS HB2 2 10 HIS HD2 3.840 . 4.340 2.568 2.558 2.581 . 0 0 "[ . 1 . 2 . 3]" 1
554 2 10 HIS HB2 2 11 LEU H 4.130 . 4.630 3.326 3.138 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
555 2 10 HIS HB2 2 11 LEU HB2 4.900 . 5.400 4.921 4.489 4.960 . 0 0 "[ . 1 . 2 . 3]" 1
556 2 10 HIS HB3 2 10 HIS HD2 3.810 . 4.310 3.589 3.551 3.697 . 0 0 "[ . 1 . 2 . 3]" 1
557 2 10 HIS HB3 2 11 LEU H 4.210 . 4.710 3.058 2.940 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
558 2 10 HIS HB3 2 11 LEU HB3 5.500 . 6.000 5.318 5.164 5.531 . 0 0 "[ . 1 . 2 . 3]" 1
559 2 10 HIS HB3 2 14 ALA MB 6.050 . 6.550 4.758 4.625 4.873 . 0 0 "[ . 1 . 2 . 3]" 1
560 2 11 LEU H 2 11 LEU HB2 3.660 . 4.160 2.372 2.315 2.413 . 0 0 "[ . 1 . 2 . 3]" 1
561 2 11 LEU H 2 11 LEU HB3 3.500 . 4.000 2.594 2.528 2.644 . 0 0 "[ . 1 . 2 . 3]" 1
562 2 11 LEU H 2 11 LEU MD1 5.260 . 5.760 4.033 3.983 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
563 2 11 LEU H 2 11 LEU MD2 5.130 . 5.630 4.197 4.134 4.243 . 0 0 "[ . 1 . 2 . 3]" 1
564 2 11 LEU H 2 11 LEU HG 4.740 . 5.240 4.552 4.504 4.585 . 0 0 "[ . 1 . 2 . 3]" 1
565 2 11 LEU H 2 12 VAL CB 6.470 . 6.970 5.071 4.955 5.136 . 0 0 "[ . 1 . 2 . 3]" 1
566 2 11 LEU H 2 12 VAL HA 5.500 . 6.000 5.268 5.164 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
567 2 11 LEU H 2 12 VAL HB 5.500 . 6.000 4.657 4.608 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
568 2 11 LEU HA 2 11 LEU HB2 2.640 . 3.140 2.587 2.562 2.608 . 0 0 "[ . 1 . 2 . 3]" 1
569 2 11 LEU HA 2 11 LEU HG 3.790 . 4.290 3.017 2.952 3.090 . 0 0 "[ . 1 . 2 . 3]" 1
570 2 11 LEU HA 2 14 ALA H 4.100 . 4.600 3.239 2.900 3.360 . 0 0 "[ . 1 . 2 . 3]" 1
571 2 11 LEU HA 2 14 ALA MB 3.610 . 4.110 2.553 2.176 2.645 . 0 0 "[ . 1 . 2 . 3]" 1
572 2 11 LEU HB2 2 12 VAL CB 6.950 . 7.450 6.279 6.171 6.341 . 0 0 "[ . 1 . 2 . 3]" 1
573 2 11 LEU HB2 2 12 VAL H 3.910 . 4.410 3.782 3.709 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
574 2 11 LEU HB3 2 12 VAL H 3.440 . 3.940 2.616 2.515 3.060 . 0 0 "[ . 1 . 2 . 3]" 1
575 2 11 LEU HB3 2 12 VAL HA 4.840 . 5.340 4.411 4.279 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
576 2 11 LEU HB3 2 13 GLU H 5.190 . 5.690 5.117 5.053 5.162 . 0 0 "[ . 1 . 2 . 3]" 1
577 2 11 LEU HB3 2 14 ALA H 5.500 . 6.000 5.497 5.207 5.539 . 0 0 "[ . 1 . 2 . 3]" 1
578 2 11 LEU HB3 2 14 ALA MB 6.410 . 6.910 5.021 4.559 5.127 . 0 0 "[ . 1 . 2 . 3]" 1
579 2 11 LEU MD1 2 14 ALA H 6.320 . 6.820 4.630 4.256 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
580 2 11 LEU MD1 2 14 ALA MB 5.240 . 5.740 2.938 2.389 3.083 . 0 0 "[ . 1 . 2 . 3]" 1
581 2 11 LEU HG 2 12 VAL H 4.380 . 4.880 4.183 4.011 4.459 . 0 0 "[ . 1 . 2 . 3]" 1
582 2 11 LEU HG 2 12 VAL HA 4.950 . 5.450 4.506 4.270 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
583 2 11 LEU HG 2 15 LEU H 4.910 . 5.410 4.616 4.440 4.928 . 0 0 "[ . 1 . 2 . 3]" 1
584 2 12 VAL CB 2 13 GLU H 5.500 . 6.000 3.082 3.052 3.176 . 0 0 "[ . 1 . 2 . 3]" 1
585 2 12 VAL CB 2 13 GLU QG 7.090 . 7.590 4.755 4.508 5.524 . 0 0 "[ . 1 . 2 . 3]" 1
586 2 12 VAL CB 2 15 LEU H 7.640 . 8.140 5.317 5.187 5.440 . 0 0 "[ . 1 . 2 . 3]" 1
587 2 12 VAL CB 2 16 TYR QB 6.630 . 7.130 5.482 5.365 5.650 . 0 0 "[ . 1 . 2 . 3]" 1
588 2 12 VAL H 2 12 VAL HB 3.120 . 3.620 2.490 2.466 2.507 . 0 0 "[ . 1 . 2 . 3]" 1
589 2 12 VAL H 2 12 VAL MG1 4.550 . 5.050 3.821 3.815 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
590 2 12 VAL H 2 12 VAL MG2 4.550 . 5.050 2.219 2.155 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
591 2 12 VAL H 2 13 GLU H 3.190 . 3.690 2.732 2.217 2.827 . 0 0 "[ . 1 . 2 . 3]" 1
592 2 12 VAL H 2 13 GLU HB2 4.720 . 5.220 4.548 3.592 4.723 . 0 0 "[ . 1 . 2 . 3]" 1
593 2 12 VAL H 2 13 GLU QG 6.170 . 6.670 5.086 4.862 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
594 2 12 VAL H 2 14 ALA H 4.770 . 5.270 4.233 3.559 4.359 . 0 0 "[ . 1 . 2 . 3]" 1
595 2 12 VAL H 2 14 ALA MB 6.240 . 6.740 4.851 4.356 4.964 . 0 0 "[ . 1 . 2 . 3]" 1
596 2 12 VAL HA 2 13 GLU H 3.570 . 4.070 3.583 3.540 3.596 . 0 0 "[ . 1 . 2 . 3]" 1
597 2 12 VAL HA 2 13 GLU HA 5.000 . 5.500 4.889 4.831 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
598 2 12 VAL HA 2 14 ALA H 4.880 . 5.380 4.589 4.287 4.735 . 0 0 "[ . 1 . 2 . 3]" 1
599 2 12 VAL HA 2 15 LEU H 3.910 . 4.410 3.545 3.271 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
600 2 12 VAL HA 2 15 LEU HB2 3.770 . 4.270 2.692 2.593 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
601 2 12 VAL HA 2 15 LEU MD2 4.840 . 5.340 3.540 3.241 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
602 2 12 VAL HA 2 15 LEU HG 4.360 . 4.860 4.298 4.123 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
603 2 12 VAL HA 2 16 TYR H 4.650 . 5.150 4.229 4.040 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
604 2 12 VAL HA 2 16 TYR QB 5.650 . 6.150 5.059 4.984 5.124 . 0 0 "[ . 1 . 2 . 3]" 1
605 2 12 VAL HB 2 13 GLU H 3.080 . 3.580 2.625 2.591 2.747 . 0 0 "[ . 1 . 2 . 3]" 1
606 2 12 VAL MG1 2 13 GLU H 4.650 . 5.150 3.374 3.292 3.583 . 0 0 "[ . 1 . 2 . 3]" 1
607 2 12 VAL MG2 2 13 GLU H 4.650 . 5.150 3.935 3.882 3.958 . 0 0 "[ . 1 . 2 . 3]" 1
608 2 13 GLU H 2 13 GLU HA 2.880 . 3.380 2.841 2.809 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
609 2 13 GLU H 2 13 GLU HB2 3.000 . 3.500 2.233 1.910 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
610 2 13 GLU H 2 13 GLU HB3 3.520 . 4.020 3.498 3.136 3.562 . 0 0 "[ . 1 . 2 . 3]" 1
611 2 13 GLU H 2 13 GLU QG 3.560 . 4.060 2.760 2.587 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
612 2 13 GLU H 2 14 ALA H 3.060 . 3.560 2.941 2.827 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
613 2 13 GLU H 2 14 ALA MB 5.670 . 6.170 4.504 4.360 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
614 2 13 GLU H 2 15 LEU MD2 6.610 . 7.110 5.506 5.403 5.571 . 0 0 "[ . 1 . 2 . 3]" 1
615 2 13 GLU H 2 16 TYR QB 5.670 . 6.170 4.932 4.796 5.034 . 0 0 "[ . 1 . 2 . 3]" 1
616 2 13 GLU HA 2 13 GLU QG 3.470 . 3.970 2.253 2.187 2.585 . 0 0 "[ . 1 . 2 . 3]" 1
617 2 13 GLU HA 2 16 TYR H 3.680 . 4.180 3.507 3.333 3.677 . 0 0 "[ . 1 . 2 . 3]" 1
618 2 13 GLU HA 2 16 TYR QB 3.200 . 3.700 2.755 2.564 2.864 . 0 0 "[ . 1 . 2 . 3]" 1
619 2 13 GLU HB2 2 14 ALA H 3.420 . 3.920 2.812 2.726 2.959 . 0 0 "[ . 1 . 2 . 3]" 1
620 2 13 GLU HB2 2 14 ALA MB 5.280 . 5.780 4.253 4.159 4.419 . 0 0 "[ . 1 . 2 . 3]" 1
621 2 13 GLU HB2 2 16 TYR QB 6.170 . 6.670 5.333 5.161 5.431 . 0 0 "[ . 1 . 2 . 3]" 1
622 2 13 GLU HB3 2 14 ALA H 3.370 . 3.870 3.176 2.514 3.325 . 0 0 "[ . 1 . 2 . 3]" 1
623 2 13 GLU HB3 2 14 ALA MB 5.210 . 5.710 4.309 3.739 4.403 . 0 0 "[ . 1 . 2 . 3]" 1
624 2 13 GLU HB3 2 17 LEU MD1 5.020 . 5.520 3.490 2.830 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
625 2 13 GLU QG 2 14 ALA H 4.950 . 5.450 4.392 4.266 4.422 . 0 0 "[ . 1 . 2 . 3]" 1
626 2 13 GLU QG 2 14 ALA MB 7.410 . 7.910 5.486 5.257 5.518 . 0 0 "[ . 1 . 2 . 3]" 1
627 2 13 GLU QG 2 16 TYR QB 5.590 . 6.090 4.120 3.959 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
628 2 13 GLU QG 2 16 TYR QD 6.890 . 7.390 5.098 4.560 5.506 . 0 0 "[ . 1 . 2 . 3]" 1
629 2 13 GLU QG 2 17 LEU HG 5.530 . 6.030 4.857 3.836 5.045 . 0 0 "[ . 1 . 2 . 3]" 1
630 2 14 ALA H 2 14 ALA HA 2.830 . 3.330 2.823 2.764 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
631 2 14 ALA H 2 14 ALA MB 3.150 . 3.650 2.158 2.065 2.189 . 0 0 "[ . 1 . 2 . 3]" 1
632 2 14 ALA H 2 15 LEU H 3.060 . 3.560 2.924 2.846 3.081 . 0 0 "[ . 1 . 2 . 3]" 1
633 2 14 ALA H 2 15 LEU HB2 5.030 . 5.530 4.836 4.691 4.990 . 0 0 "[ . 1 . 2 . 3]" 1
634 2 14 ALA H 2 15 LEU MD2 6.520 . 7.020 4.412 4.328 4.507 . 0 0 "[ . 1 . 2 . 3]" 1
635 2 14 ALA H 2 16 TYR H 4.260 . 4.760 4.268 4.214 4.309 . 0 0 "[ . 1 . 2 . 3]" 1
636 2 14 ALA H 2 16 TYR QB 5.750 . 6.250 5.006 4.911 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
637 2 14 ALA H 2 17 LEU MD1 5.520 . 6.020 4.344 3.610 4.601 . 0 0 "[ . 1 . 2 . 3]" 1
638 2 14 ALA MB 2 15 LEU H 3.400 . 3.900 2.464 2.302 2.520 . 0 0 "[ . 1 . 2 . 3]" 1
639 2 14 ALA MB 2 15 LEU MD2 4.170 . 4.670 2.887 2.669 2.920 . 0 0 "[ . 1 . 2 . 3]" 1
640 2 14 ALA MB 2 16 TYR QB 7.290 . 7.790 5.410 5.339 5.454 . 0 0 "[ . 1 . 2 . 3]" 1
641 2 14 ALA MB 2 17 LEU MD1 6.300 . 6.800 3.649 3.447 3.892 . 0 0 "[ . 1 . 2 . 3]" 1
642 2 14 ALA MB 2 18 VAL H 5.780 . 6.280 4.376 4.305 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
643 2 14 ALA MB 2 18 VAL MG2 5.080 . 5.580 3.119 2.923 3.371 . 0 0 "[ . 1 . 2 . 3]" 1
644 2 15 LEU H 2 15 LEU HB2 2.790 . 3.290 2.257 2.225 2.298 . 0 0 "[ . 1 . 2 . 3]" 1
645 2 15 LEU H 2 15 LEU MD1 4.780 . 5.280 3.922 3.841 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
646 2 15 LEU H 2 15 LEU MD2 4.190 . 4.690 2.373 2.308 2.419 . 0 0 "[ . 1 . 2 . 3]" 1
647 2 15 LEU H 2 16 TYR QB 5.460 . 5.960 4.667 4.611 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
648 2 15 LEU H 2 18 VAL MG2 5.020 . 5.520 3.929 3.799 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
649 2 15 LEU HA 2 15 LEU MD1 3.060 . 3.560 2.073 2.024 2.096 . 0 0 "[ . 1 . 2 . 3]" 1
650 2 15 LEU HA 2 15 LEU MD2 3.690 . 4.190 2.618 2.533 2.734 . 0 0 "[ . 1 . 2 . 3]" 1
651 2 15 LEU HA 2 15 LEU HG 3.820 . 4.320 3.699 3.686 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
652 2 15 LEU HA 2 18 VAL HB 4.390 . 4.890 4.126 3.807 4.492 . 0 0 "[ . 1 . 2 . 3]" 1
653 2 15 LEU HA 2 18 VAL MG2 3.700 . 4.200 2.247 1.969 2.523 . 0 0 "[ . 1 . 2 . 3]" 1
654 2 15 LEU HA 2 19 CYS H 3.770 . 4.270 3.331 3.013 3.479 . 0 0 "[ . 1 . 2 . 3]" 1
655 2 15 LEU HB2 2 16 TYR QB 5.350 . 5.850 4.655 4.552 4.778 . 0 0 "[ . 1 . 2 . 3]" 1
656 2 15 LEU MD1 2 18 VAL HB 5.280 . 5.780 4.065 3.699 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
657 2 15 LEU MD1 2 18 VAL MG2 4.530 . 5.030 2.928 2.408 3.175 . 0 0 "[ . 1 . 2 . 3]" 1
658 2 15 LEU MD1 2 19 CYS H 5.160 . 5.660 3.990 3.694 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
659 2 15 LEU MD1 2 19 CYS QB 6.170 . 6.670 2.725 2.200 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
660 2 15 LEU MD2 2 18 VAL MG2 5.680 . 6.180 3.442 3.206 3.834 . 0 0 "[ . 1 . 2 . 3]" 1
661 2 15 LEU MD2 2 19 CYS H 6.610 . 7.110 5.484 5.189 5.552 . 0 0 "[ . 1 . 2 . 3]" 1
662 2 15 LEU MD2 2 19 CYS QB 7.180 . 7.680 4.801 4.367 4.987 . 0 0 "[ . 1 . 2 . 3]" 1
663 2 16 TYR H 2 16 TYR QB 2.780 . 3.280 2.271 2.211 2.297 . 0 0 "[ . 1 . 2 . 3]" 1
664 2 16 TYR H 2 16 TYR QD 4.910 . 5.410 4.223 4.181 4.238 . 0 0 "[ . 1 . 2 . 3]" 1
665 2 16 TYR H 2 17 LEU H 3.350 . 3.850 2.754 2.656 2.821 . 0 0 "[ . 1 . 2 . 3]" 1
666 2 16 TYR H 2 17 LEU HG 4.790 . 5.290 4.525 4.302 4.697 . 0 0 "[ . 1 . 2 . 3]" 1
667 2 16 TYR H 2 18 VAL MG2 5.740 . 6.240 4.571 4.217 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
668 2 16 TYR H 2 19 CYS H 4.790 . 5.290 4.790 4.732 4.832 . 0 0 "[ . 1 . 2 . 3]" 1
669 2 16 TYR HA 2 16 TYR QD 3.690 . 4.190 2.802 2.659 3.021 . 0 0 "[ . 1 . 2 . 3]" 1
670 2 16 TYR HA 2 18 VAL H 4.890 . 5.390 4.807 4.618 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
671 2 16 TYR HA 2 19 CYS H 3.970 . 4.470 3.971 3.801 4.058 . 0 0 "[ . 1 . 2 . 3]" 1
672 2 16 TYR HA 2 20 GLY H 3.950 . 4.450 2.574 2.286 2.893 . 0 0 "[ . 1 . 2 . 3]" 1
673 2 16 TYR QB 2 17 LEU H 3.770 . 4.270 2.582 2.482 2.684 . 0 0 "[ . 1 . 2 . 3]" 1
674 2 16 TYR QB 2 17 LEU HB2 5.590 . 6.090 4.789 4.680 4.945 . 0 0 "[ . 1 . 2 . 3]" 1
675 2 16 TYR QB 2 17 LEU HB3 6.170 . 6.670 5.565 5.531 5.604 . 0 0 "[ . 1 . 2 . 3]" 1
676 2 16 TYR QB 2 17 LEU MD2 5.730 . 6.230 3.922 3.683 4.226 . 0 0 "[ . 1 . 2 . 3]" 1
677 2 16 TYR QB 2 17 LEU HG 4.910 . 5.410 3.344 3.110 3.501 . 0 0 "[ . 1 . 2 . 3]" 1
678 2 16 TYR QB 2 18 VAL H 5.740 . 6.240 4.981 4.864 5.036 . 0 0 "[ . 1 . 2 . 3]" 1
679 2 16 TYR QB 2 20 GLY H 5.800 . 6.300 4.557 4.333 4.779 . 0 0 "[ . 1 . 2 . 3]" 1
680 2 16 TYR QD 2 17 LEU H 4.800 . 5.300 3.359 3.047 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
681 2 16 TYR QD 2 17 LEU HA 3.640 . 4.140 3.241 3.116 3.286 . 0 0 "[ . 1 . 2 . 3]" 1
682 2 16 TYR QD 2 17 LEU HB2 5.740 . 6.240 4.950 4.605 5.112 . 0 0 "[ . 1 . 2 . 3]" 1
683 2 16 TYR QD 2 17 LEU HG 4.610 . 5.110 3.148 2.608 3.474 . 0 0 "[ . 1 . 2 . 3]" 1
684 2 16 TYR QD 2 20 GLY QA 5.960 . 6.460 3.159 2.466 3.778 . 0 0 "[ . 1 . 2 . 3]" 1
685 2 16 TYR QD 2 21 GLU HA 6.170 . 6.670 5.221 4.514 5.577 . 0 0 "[ . 1 . 2 . 3]" 1
686 2 16 TYR QD 2 21 GLU QB 6.210 . 6.710 3.811 3.232 4.947 . 0 0 "[ . 1 . 2 . 3]" 1
687 2 16 TYR QE 2 17 LEU HA 4.920 . 5.420 4.387 4.280 4.432 . 0 0 "[ . 1 . 2 . 3]" 1
688 2 16 TYR QE 2 17 LEU HG 6.170 . 6.670 5.191 4.493 5.523 . 0 0 "[ . 1 . 2 . 3]" 1
689 2 16 TYR QE 2 21 GLU HA 5.870 . 6.370 4.215 3.285 4.874 . 0 0 "[ . 1 . 2 . 3]" 1
690 2 17 LEU H 2 17 LEU HB2 3.310 . 3.810 2.502 2.403 2.622 . 0 0 "[ . 1 . 2 . 3]" 1
691 2 17 LEU H 2 17 LEU HB3 4.050 . 4.550 3.609 3.573 3.635 . 0 0 "[ . 1 . 2 . 3]" 1
692 2 17 LEU H 2 17 LEU MD2 4.700 . 5.200 3.447 3.234 3.702 . 0 0 "[ . 1 . 2 . 3]" 1
693 2 17 LEU H 2 18 VAL H 3.390 . 3.890 2.804 2.639 2.887 . 0 0 "[ . 1 . 2 . 3]" 1
694 2 17 LEU H 2 18 VAL MG2 5.180 . 5.680 3.951 3.790 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
695 2 17 LEU HA 2 17 LEU HB3 2.990 . 3.490 2.500 2.445 2.555 . 0 0 "[ . 1 . 2 . 3]" 1
696 2 17 LEU HA 2 17 LEU MD2 3.290 . 3.790 2.170 2.127 2.241 . 0 0 "[ . 1 . 2 . 3]" 1
697 2 17 LEU HA 2 17 LEU HG 3.450 . 3.950 3.086 2.813 3.235 . 0 0 "[ . 1 . 2 . 3]" 1
698 2 17 LEU HA 2 19 CYS H 5.500 . 6.000 4.834 4.670 5.258 . 0 0 "[ . 1 . 2 . 3]" 1
699 2 17 LEU HA 2 20 GLY H 4.750 . 5.250 4.770 4.523 4.886 . 0 0 "[ . 1 . 2 . 3]" 1
700 2 17 LEU HB2 2 18 VAL H 3.420 . 3.920 2.573 2.411 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
701 2 17 LEU HB2 2 19 CYS H 5.500 . 6.000 5.118 5.013 5.360 . 0 0 "[ . 1 . 2 . 3]" 1
702 2 17 LEU HB3 2 18 VAL H 4.240 . 4.740 3.564 3.468 3.688 . 0 0 "[ . 1 . 2 . 3]" 1
703 2 17 LEU HG 2 18 VAL H 4.490 . 4.990 4.406 4.227 4.508 . 0 0 "[ . 1 . 2 . 3]" 1
704 2 17 LEU HG 2 18 VAL MG2 6.140 . 6.640 5.206 5.141 5.315 . 0 0 "[ . 1 . 2 . 3]" 1
705 2 18 VAL H 2 18 VAL HB 3.590 . 4.090 3.441 3.213 3.632 . 0 0 "[ . 1 . 2 . 3]" 1
706 2 18 VAL H 2 18 VAL MG1 4.490 . 4.990 3.459 2.974 3.766 . 0 0 "[ . 1 . 2 . 3]" 1
707 2 18 VAL H 2 18 VAL MG2 3.410 . 3.910 2.014 1.954 2.083 . 0 0 "[ . 1 . 2 . 3]" 1
708 2 18 VAL H 2 19 CYS H 3.030 . 3.530 2.676 2.510 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
709 2 18 VAL H 2 19 CYS HB2 5.310 . 5.810 5.004 4.859 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
710 2 18 VAL H 2 19 CYS QB 5.070 . 5.570 4.472 4.348 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
711 2 18 VAL H 2 19 CYS HB3 5.310 . 5.810 5.043 4.749 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
712 2 18 VAL H 2 20 GLY H 4.230 . 4.730 4.223 4.037 4.288 . 0 0 "[ . 1 . 2 . 3]" 1
713 2 18 VAL H 2 21 GLU QB 5.990 . 6.490 5.129 4.720 5.386 . 0 0 "[ . 1 . 2 . 3]" 1
714 2 18 VAL HA 2 18 VAL MG1 3.250 . 3.750 2.188 2.128 2.257 . 0 0 "[ . 1 . 2 . 3]" 1
715 2 18 VAL HA 2 19 CYS HA 4.890 . 5.390 4.621 4.567 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
716 2 18 VAL HB 2 19 CYS H 3.800 . 4.300 3.132 2.661 3.423 . 0 0 "[ . 1 . 2 . 3]" 1
717 2 18 VAL HB 2 19 CYS HA 4.350 . 4.850 4.000 3.639 4.239 . 0 0 "[ . 1 . 2 . 3]" 1
718 2 18 VAL HB 2 19 CYS QB 5.300 . 5.800 3.323 3.040 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
719 2 18 VAL HB 2 20 GLY H 5.500 . 6.000 5.347 5.029 5.543 . 0 0 "[ . 1 . 2 . 3]" 1
720 2 18 VAL MG1 2 19 CYS H 5.130 . 5.630 4.247 3.999 4.385 . 0 0 "[ . 1 . 2 . 3]" 1
721 2 18 VAL MG2 2 19 CYS H 3.890 . 4.390 2.751 1.999 3.190 . 0 0 "[ . 1 . 2 . 3]" 1
722 2 18 VAL MG2 2 19 CYS HA 5.820 . 6.320 4.709 4.140 4.986 . 0 0 "[ . 1 . 2 . 3]" 1
723 2 18 VAL MG2 2 19 CYS HB2 5.640 . 6.140 3.686 2.830 4.202 . 0 0 "[ . 1 . 2 . 3]" 1
724 2 18 VAL MG2 2 19 CYS HB3 5.640 . 6.140 4.213 3.306 4.709 . 0 0 "[ . 1 . 2 . 3]" 1
725 2 19 CYS H 2 19 CYS HB2 3.180 . 3.680 2.732 2.436 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
726 2 19 CYS H 2 19 CYS QB 3.120 . 3.620 2.348 2.222 2.412 . 0 0 "[ . 1 . 2 . 3]" 1
727 2 19 CYS H 2 19 CYS HB3 3.180 . 3.680 2.567 2.454 2.623 . 0 0 "[ . 1 . 2 . 3]" 1
728 2 19 CYS H 2 20 GLY H 2.980 . 3.480 2.269 2.140 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
729 2 19 CYS H 2 21 GLU H 4.780 . 5.280 4.184 3.896 4.468 . 0 0 "[ . 1 . 2 . 3]" 1
730 2 19 CYS H 2 22 ARG QG 5.990 . 6.490 4.558 3.897 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
731 2 19 CYS HA 2 22 ARG H 4.760 . 5.260 4.219 3.818 4.801 . 0 0 "[ . 1 . 2 . 3]" 1
732 2 19 CYS HA 2 22 ARG QB 5.020 . 5.520 3.914 2.858 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
733 2 19 CYS HA 2 22 ARG QG 5.190 . 5.690 2.995 2.372 4.195 . 0 0 "[ . 1 . 2 . 3]" 1
734 2 19 CYS QB 2 20 GLY H 4.150 . 4.650 2.715 2.519 3.069 . 0 0 "[ . 1 . 2 . 3]" 1
735 2 19 CYS HB2 2 20 GLY H 4.220 . 4.720 3.950 3.832 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
736 2 19 CYS HB3 2 20 GLY H 4.220 . 4.720 2.767 2.553 3.168 . 0 0 "[ . 1 . 2 . 3]" 1
737 2 20 GLY H 2 21 GLU H 3.220 . 3.720 2.666 2.434 2.860 . 0 0 "[ . 1 . 2 . 3]" 1
738 2 20 GLY H 2 21 GLU HA 5.500 . 6.000 5.308 5.110 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
739 2 20 GLY H 2 21 GLU QB 5.510 . 6.010 4.319 4.069 4.540 . 0 0 "[ . 1 . 2 . 3]" 1
740 2 20 GLY QA 2 21 GLU H 3.270 . 3.770 2.625 2.341 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
741 2 20 GLY QA 2 21 GLU HA 4.920 . 5.420 4.089 3.971 4.208 . 0 0 "[ . 1 . 2 . 3]" 1
742 2 21 GLU H 2 21 GLU HA 2.910 . 3.410 2.844 2.763 2.915 . 0 0 "[ . 1 . 2 . 3]" 1
743 2 21 GLU H 2 21 GLU HB2 3.310 . 3.810 2.357 2.141 2.537 . 0 0 "[ . 1 . 2 . 3]" 1
744 2 21 GLU H 2 21 GLU QB 3.220 . 3.720 2.176 2.121 2.261 . 0 0 "[ . 1 . 2 . 3]" 1
745 2 21 GLU H 2 21 GLU HB3 3.310 . 3.810 2.655 2.364 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
746 2 21 GLU H 2 21 GLU HG2 4.630 . 5.130 4.275 2.544 4.546 . 0 0 "[ . 1 . 2 . 3]" 1
747 2 21 GLU H 2 21 GLU QG 4.430 . 4.930 3.765 2.401 3.999 . 0 0 "[ . 1 . 2 . 3]" 1
748 2 21 GLU H 2 21 GLU HG3 4.630 . 5.130 4.245 2.446 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
749 2 21 GLU HA 2 21 GLU HG2 3.760 . 4.260 3.143 2.398 3.806 . 0 0 "[ . 1 . 2 . 3]" 1
750 2 21 GLU HA 2 21 GLU QG 3.680 . 4.180 2.534 2.262 3.089 . 0 0 "[ . 1 . 2 . 3]" 1
751 2 21 GLU HA 2 21 GLU HG3 3.760 . 4.260 2.838 2.309 3.708 . 0 0 "[ . 1 . 2 . 3]" 1
752 2 22 ARG H 2 22 ARG QB 3.290 . 3.790 2.655 2.261 3.218 . 0 0 "[ . 1 . 2 . 3]" 1
753 2 22 ARG H 2 22 ARG QD 4.960 . 5.460 3.988 3.131 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
754 2 22 ARG H 2 22 ARG QG 3.840 . 4.340 2.429 1.899 3.573 . 0 0 "[ . 1 . 2 . 3]" 1
755 2 22 ARG H 2 23 GLY H 3.200 . 3.700 2.805 2.389 3.264 . 0 0 "[ . 1 . 2 . 3]" 1
756 2 22 ARG HA 2 22 ARG HG2 4.030 . 4.530 2.934 2.277 3.847 . 0 0 "[ . 1 . 2 . 3]" 1
757 2 22 ARG HA 2 22 ARG HG3 4.030 . 4.530 3.380 2.123 3.916 . 0 0 "[ . 1 . 2 . 3]" 1
758 2 22 ARG HA 2 23 GLY QA 5.300 . 5.800 4.358 4.034 4.531 . 0 0 "[ . 1 . 2 . 3]" 1
759 2 22 ARG QB 2 23 GLY H 4.670 . 5.170 3.408 2.430 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
760 2 22 ARG HE 2 22 ARG HG2 3.900 . 4.400 3.047 2.329 3.987 . 0 0 "[ . 1 . 2 . 3]" 1
761 2 22 ARG HE 2 22 ARG HG3 3.900 . 4.400 3.079 2.240 3.992 . 0 0 "[ . 1 . 2 . 3]" 1
762 2 23 GLY QA 2 24 HIS H 3.040 . 3.540 2.493 2.091 2.834 . 0 0 "[ . 1 . 2 . 3]" 1
763 2 23 GLY QA 2 24 HIS HA 4.730 . 5.230 4.093 3.936 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
764 2 23 GLY QA 2 24 HIS QB 6.040 . 6.540 4.221 3.814 4.672 . 0 0 "[ . 1 . 2 . 3]" 1
765 2 23 GLY QA 2 24 HIS HD2 4.920 . 5.420 3.931 3.132 4.401 . 0 0 "[ . 1 . 2 . 3]" 1
766 2 24 HIS HA 2 24 HIS HD2 4.390 . 4.890 4.078 2.362 4.471 . 0 0 "[ . 1 . 2 . 3]" 1
767 2 25 PHE H 2 25 PHE QD 5.260 . 5.760 4.277 3.384 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
768 2 25 PHE HA 2 25 PHE QD 3.470 . 3.970 2.567 2.388 2.826 . 0 0 "[ . 1 . 2 . 3]" 1
769 2 25 PHE HA 2 25 PHE QE 5.110 . 5.610 4.548 4.365 4.635 . 0 0 "[ . 1 . 2 . 3]" 1
770 2 25 PHE HA 2 26 TYR H 2.400 . 2.900 2.298 2.123 2.565 . 0 0 "[ . 1 . 2 . 3]" 1
771 2 25 PHE QB 2 27 THR MG 7.180 . 7.680 4.841 2.730 5.349 . 0 0 "[ . 1 . 2 . 3]" 1
772 2 25 PHE QD 2 26 TYR H 5.520 . 6.020 3.409 2.765 4.737 . 0 0 "[ . 1 . 2 . 3]" 1
773 2 25 PHE QD 2 27 THR MG 6.540 . 7.040 3.743 2.973 4.456 . 0 0 "[ . 1 . 2 . 3]" 1
774 2 25 PHE QE 2 27 THR MG 6.670 . 7.170 3.456 2.300 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
775 2 26 TYR H 2 26 TYR QB 2.910 . 3.410 2.411 2.154 2.690 . 0 0 "[ . 1 . 2 . 3]" 1
776 2 26 TYR H 2 26 TYR QD 4.760 . 5.260 4.276 4.149 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
777 2 26 TYR H 2 27 THR MG 6.580 . 7.080 4.822 4.125 5.482 . 0 0 "[ . 1 . 2 . 3]" 1
778 2 26 TYR HA 2 26 TYR QD 3.470 . 3.970 2.469 2.292 2.735 . 0 0 "[ . 1 . 2 . 3]" 1
779 2 26 TYR HA 2 26 TYR QE 4.960 . 5.460 4.458 4.368 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
780 2 26 TYR HA 2 27 THR H 2.580 . 3.080 2.226 2.153 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
781 2 26 TYR HA 2 27 THR MG 5.640 . 6.140 3.880 3.664 4.752 . 0 0 "[ . 1 . 2 . 3]" 1
782 2 26 TYR QB 2 27 THR H 3.890 . 4.390 3.508 3.469 3.558 . 0 0 "[ . 1 . 2 . 3]" 1
783 2 26 TYR QB 2 27 THR MG 7.410 . 7.910 4.927 4.704 5.437 . 0 0 "[ . 1 . 2 . 3]" 1
784 2 26 TYR QD 2 27 THR H 4.340 . 4.840 2.961 2.528 3.336 . 0 0 "[ . 1 . 2 . 3]" 1
785 2 26 TYR QD 2 27 THR HA 5.570 . 6.070 4.255 3.642 4.657 . 0 0 "[ . 1 . 2 . 3]" 1
786 2 26 TYR QD 2 27 THR MG 7.230 . 7.730 4.944 4.616 5.412 . 0 0 "[ . 1 . 2 . 3]" 1
787 2 26 TYR QD 2 28 PRO HA 5.080 . 5.580 3.899 2.935 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
788 2 26 TYR QD 2 28 PRO HB2 5.920 . 6.420 5.192 4.601 5.356 . 0 0 "[ . 1 . 2 . 3]" 1
789 2 26 TYR QD 2 28 PRO HB3 5.920 . 6.420 3.772 3.147 4.860 . 0 0 "[ . 1 . 2 . 3]" 1
790 2 26 TYR QD 2 28 PRO QD 5.670 . 6.170 3.271 2.497 4.574 . 0 0 "[ . 1 . 2 . 3]" 1
791 2 26 TYR QE 2 27 THR H 5.580 . 6.080 3.861 3.582 4.367 . 0 0 "[ . 1 . 2 . 3]" 1
792 2 26 TYR QE 2 28 PRO HA 4.490 . 4.990 2.587 2.281 3.230 . 0 0 "[ . 1 . 2 . 3]" 1
793 2 26 TYR QE 2 28 PRO QB 5.960 . 6.460 2.618 2.218 3.464 . 0 0 "[ . 1 . 2 . 3]" 1
794 2 26 TYR QE 2 28 PRO QG 6.460 . 6.960 4.101 2.277 5.138 . 0 0 "[ . 1 . 2 . 3]" 1
795 2 26 TYR QE 2 29 LYS H 6.170 . 6.670 4.074 2.896 4.880 . 0 0 "[ . 1 . 2 . 3]" 1
796 2 27 THR H 2 27 THR HB 3.940 . 4.440 3.708 3.126 3.898 . 0 0 "[ . 1 . 2 . 3]" 1
797 2 27 THR H 2 27 THR MG 4.500 . 5.000 3.071 2.501 3.798 . 0 0 "[ . 1 . 2 . 3]" 1
798 2 27 THR H 2 28 PRO QD 5.300 . 5.800 4.008 3.632 4.429 . 0 0 "[ . 1 . 2 . 3]" 1
799 2 27 THR MG 2 28 PRO QD 5.410 . 5.910 3.565 3.322 4.097 . 0 0 "[ . 1 . 2 . 3]" 1
800 2 28 PRO HA 2 29 LYS H 2.720 . 3.220 2.316 2.073 2.633 . 0 0 "[ . 1 . 2 . 3]" 1
801 2 28 PRO QB 2 29 LYS H 4.380 . 4.880 2.818 2.447 4.024 . 0 0 "[ . 1 . 2 . 3]" 1
802 2 28 PRO QG 2 29 LYS H 4.760 . 5.260 4.241 4.023 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
803 2 29 LYS H 2 29 LYS HB2 3.910 . 4.410 2.969 2.297 4.001 . 0 0 "[ . 1 . 2 . 3]" 1
804 2 29 LYS H 2 29 LYS QB 3.640 . 4.140 2.665 2.180 3.306 . 0 0 "[ . 1 . 2 . 3]" 1
805 2 29 LYS H 2 29 LYS HB3 3.910 . 4.410 3.281 2.434 3.966 . 0 0 "[ . 1 . 2 . 3]" 1
806 2 29 LYS HA 2 30 THR H 2.940 . 3.440 2.539 2.146 3.078 . 0 0 "[ . 1 . 2 . 3]" 1
807 2 29 LYS HB2 2 30 THR H 4.940 . 5.440 3.823 2.337 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
808 2 29 LYS HB3 2 30 THR H 4.940 . 5.440 3.665 1.865 4.595 . 0 0 "[ . 1 . 2 . 3]" 1
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