NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
452210 |
2rql   |
11077 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2rql
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 1893
_Distance_constraint_stats_list.Viol_count 642
_Distance_constraint_stats_list.Viol_total 401.327
_Distance_constraint_stats_list.Viol_max 0.281
_Distance_constraint_stats_list.Viol_rms 0.0075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0005
_Distance_constraint_stats_list.Viol_average_violations_only 0.0313
_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 GLN 0.124 0.046 15 0 "[ . 1 . 2]"
1 3 LEU 0.485 0.053 9 0 "[ . 1 . 2]"
1 4 ASN 0.042 0.017 8 0 "[ . 1 . 2]"
1 5 ILE 0.539 0.050 7 0 "[ . 1 . 2]"
1 6 THR 0.482 0.064 6 0 "[ . 1 . 2]"
1 7 GLY 0.385 0.050 7 0 "[ . 1 . 2]"
1 8 ASN 1.768 0.228 20 0 "[ . 1 . 2]"
1 9 ASN 0.251 0.037 19 0 "[ . 1 . 2]"
1 10 VAL 0.159 0.041 19 0 "[ . 1 . 2]"
1 11 GLU 0.038 0.013 11 0 "[ . 1 . 2]"
1 12 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 THR 0.038 0.013 11 0 "[ . 1 . 2]"
1 14 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ALA 0.090 0.028 14 0 "[ . 1 . 2]"
1 16 LEU 0.962 0.158 19 0 "[ . 1 . 2]"
1 17 ARG 0.078 0.040 14 0 "[ . 1 . 2]"
1 18 GLU 0.112 0.028 14 0 "[ . 1 . 2]"
1 19 PHE 0.929 0.158 19 0 "[ . 1 . 2]"
1 20 VAL 0.033 0.014 11 0 "[ . 1 . 2]"
1 21 THR 0.065 0.053 9 0 "[ . 1 . 2]"
1 22 ALA 0.022 0.013 11 0 "[ . 1 . 2]"
1 23 LYS 0.246 0.049 3 0 "[ . 1 . 2]"
1 24 PHE 0.215 0.032 11 0 "[ . 1 . 2]"
1 25 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 LYS 0.010 0.006 13 0 "[ . 1 . 2]"
1 27 LEU 0.818 0.075 15 0 "[ . 1 . 2]"
1 28 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 GLN 0.015 0.006 13 0 "[ . 1 . 2]"
1 30 TYR 0.053 0.020 16 0 "[ . 1 . 2]"
1 31 PHE 0.687 0.075 15 0 "[ . 1 . 2]"
1 32 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 ARG 0.442 0.045 1 0 "[ . 1 . 2]"
1 34 ILE 0.473 0.045 1 0 "[ . 1 . 2]"
1 35 ASN 0.070 0.021 16 0 "[ . 1 . 2]"
1 36 GLN 0.988 0.052 13 0 "[ . 1 . 2]"
1 37 VAL 0.251 0.053 15 0 "[ . 1 . 2]"
1 38 TYR 0.867 0.052 13 0 "[ . 1 . 2]"
1 39 VAL 0.071 0.023 2 0 "[ . 1 . 2]"
1 40 VAL 6.385 0.281 12 0 "[ . 1 . 2]"
1 41 LEU 5.164 0.281 12 0 "[ . 1 . 2]"
1 42 LYS 2.300 0.228 20 0 "[ . 1 . 2]"
1 43 VAL 0.409 0.041 19 0 "[ . 1 . 2]"
1 44 GLU 0.486 0.040 19 0 "[ . 1 . 2]"
1 45 LYS 0.002 0.002 5 0 "[ . 1 . 2]"
1 46 VAL 0.845 0.049 18 0 "[ . 1 . 2]"
1 47 THR 0.016 0.008 10 0 "[ . 1 . 2]"
1 48 HIS 0.277 0.037 14 0 "[ . 1 . 2]"
1 49 THR 0.204 0.032 8 0 "[ . 1 . 2]"
1 50 SER 0.068 0.029 15 0 "[ . 1 . 2]"
1 51 ASP 1.077 0.088 16 0 "[ . 1 . 2]"
1 52 ALA 0.818 0.154 8 0 "[ . 1 . 2]"
1 53 THR 0.082 0.019 11 0 "[ . 1 . 2]"
1 54 LEU 0.199 0.042 11 0 "[ . 1 . 2]"
1 55 HIS 0.215 0.029 8 0 "[ . 1 . 2]"
1 56 VAL 0.017 0.008 5 0 "[ . 1 . 2]"
1 57 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 GLU 0.015 0.009 3 0 "[ . 1 . 2]"
1 61 ILE 0.004 0.004 12 0 "[ . 1 . 2]"
1 62 HIS 0.002 0.002 18 0 "[ . 1 . 2]"
1 63 ALA 1.094 0.077 8 0 "[ . 1 . 2]"
1 64 SER 0.025 0.008 3 0 "[ . 1 . 2]"
1 65 ALA 0.110 0.021 18 0 "[ . 1 . 2]"
1 66 GLU 0.173 0.032 8 0 "[ . 1 . 2]"
1 67 GLY 0.121 0.035 16 0 "[ . 1 . 2]"
1 68 GLN 0.498 0.092 11 0 "[ . 1 . 2]"
1 69 ASP 0.440 0.092 11 0 "[ . 1 . 2]"
1 70 MET 0.025 0.025 4 0 "[ . 1 . 2]"
1 71 TYR 0.023 0.013 3 0 "[ . 1 . 2]"
1 72 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 ALA 0.047 0.035 16 0 "[ . 1 . 2]"
1 74 ILE 0.057 0.029 15 0 "[ . 1 . 2]"
1 75 ASP 0.043 0.018 18 0 "[ . 1 . 2]"
1 76 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LEU 0.985 0.154 8 0 "[ . 1 . 2]"
1 78 ILE 1.143 0.077 6 0 "[ . 1 . 2]"
1 79 ASP 0.700 0.077 6 0 "[ . 1 . 2]"
1 80 LYS 0.161 0.022 7 0 "[ . 1 . 2]"
1 81 LEU 1.592 0.077 8 0 "[ . 1 . 2]"
1 82 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 83 ARG 0.008 0.003 3 0 "[ . 1 . 2]"
1 84 GLN 0.004 0.004 12 0 "[ . 1 . 2]"
1 85 LEU 0.245 0.039 2 0 "[ . 1 . 2]"
1 86 THR 0.003 0.002 2 0 "[ . 1 . 2]"
1 87 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 HIS 0.360 0.039 2 0 "[ . 1 . 2]"
1 89 LYS 0.002 0.002 2 0 "[ . 1 . 2]"
1 90 ASP 0.029 0.010 3 0 "[ . 1 . 2]"
1 91 LYS 0.456 0.106 12 0 "[ . 1 . 2]"
1 92 LEU 0.373 0.106 12 0 "[ . 1 . 2]"
1 93 LYS 0.044 0.015 11 0 "[ . 1 . 2]"
1 94 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 95 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 GLN H 1 2 GLN QB 3.590 . 5.590 2.594 2.265 3.410 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN H 1 2 GLN QG 4.670 . 6.670 3.542 2.381 4.474 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN H 1 36 GLN HA 5.000 . 5.000 4.086 3.015 5.046 0.046 15 0 "[ . 1 . 2]" 1
4 1 2 GLN HA 1 2 GLN HG2 3.960 . 3.960 2.828 2.090 3.786 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN HA 1 2 GLN QG 3.000 . 4.000 2.314 2.058 3.256 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HA 1 2 GLN HG3 3.960 . 3.960 2.810 2.082 3.656 . 0 0 "[ . 1 . 2]" 1
7 1 2 GLN HA 1 3 LEU H 2.680 . 3.680 2.614 2.156 3.570 . 0 0 "[ . 1 . 2]" 1
8 1 2 GLN QB 1 3 LEU H 4.570 . 6.570 3.134 1.894 3.981 . 0 0 "[ . 1 . 2]" 1
9 1 2 GLN HB2 1 3 LEU H 5.180 . 6.180 3.903 1.995 4.663 . 0 0 "[ . 1 . 2]" 1
10 1 2 GLN HB3 1 3 LEU H 5.180 . 6.180 3.413 1.969 4.334 . 0 0 "[ . 1 . 2]" 1
11 1 2 GLN QG 1 3 LEU H 4.220 . 6.220 3.732 2.128 4.584 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU H 1 3 LEU QB 3.260 . 5.260 2.843 2.436 2.936 . 0 0 "[ . 1 . 2]" 1
13 1 3 LEU H 1 3 LEU MD1 4.480 . 7.880 4.076 3.924 4.147 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU HA 1 3 LEU MD1 4.000 . 5.000 4.011 3.903 4.088 . 0 0 "[ . 1 . 2]" 1
15 1 3 LEU HA 1 3 LEU MD2 4.000 . 5.000 3.684 3.560 3.878 . 0 0 "[ . 1 . 2]" 1
16 1 3 LEU HA 1 3 LEU HG 4.000 . 4.000 3.646 3.611 3.699 . 0 0 "[ . 1 . 2]" 1
17 1 3 LEU HA 1 4 ASN H 2.760 . 3.760 2.239 2.172 2.330 . 0 0 "[ . 1 . 2]" 1
18 1 3 LEU HA 1 36 GLN HA 4.450 . 4.450 3.873 3.422 4.488 0.038 13 0 "[ . 1 . 2]" 1
19 1 3 LEU HA 1 37 VAL H . . 4.560 2.464 2.191 2.781 . 0 0 "[ . 1 . 2]" 1
20 1 3 LEU HA 1 37 VAL HB 3.790 . 3.790 3.622 2.684 3.843 0.053 15 0 "[ . 1 . 2]" 1
21 1 3 LEU HA 1 37 VAL MG2 3.890 . 4.890 3.412 1.894 4.426 . 0 0 "[ . 1 . 2]" 1
22 1 3 LEU QB 1 3 LEU MD1 3.000 . 5.000 2.019 1.922 2.097 . 0 0 "[ . 1 . 2]" 1
23 1 3 LEU QB 1 4 ASN H 3.820 . 5.820 2.838 2.552 3.077 . 0 0 "[ . 1 . 2]" 1
24 1 3 LEU QB 1 37 VAL HB 4.740 . 5.740 2.644 1.865 3.691 . 0 0 "[ . 1 . 2]" 1
25 1 3 LEU QB 1 37 VAL MG1 4.920 . 6.920 3.714 2.984 4.309 . 0 0 "[ . 1 . 2]" 1
26 1 3 LEU QB 1 37 VAL MG2 3.810 . 5.810 2.660 1.906 3.221 . 0 0 "[ . 1 . 2]" 1
27 1 3 LEU HB2 1 4 ASN H 4.370 . 5.370 2.897 2.587 3.164 . 0 0 "[ . 1 . 2]" 1
28 1 3 LEU HB3 1 4 ASN H 4.370 . 5.370 4.073 3.895 4.205 . 0 0 "[ . 1 . 2]" 1
29 1 3 LEU MD1 1 4 ASN H 3.740 . 7.140 4.129 3.860 4.484 . 0 0 "[ . 1 . 2]" 1
30 1 3 LEU MD1 1 5 ILE MD 3.580 . 6.980 4.090 2.683 4.664 . 0 0 "[ . 1 . 2]" 1
31 1 3 LEU MD1 1 5 ILE HG12 3.700 . 6.100 3.997 2.865 4.549 . 0 0 "[ . 1 . 2]" 1
32 1 3 LEU MD1 1 20 VAL HB 5.570 . 7.970 4.617 3.669 5.280 . 0 0 "[ . 1 . 2]" 1
33 1 3 LEU MD1 1 20 VAL QG 3.660 . 7.060 3.753 3.101 4.241 . 0 0 "[ . 1 . 2]" 1
34 1 3 LEU MD1 1 21 THR H 4.560 . 7.960 4.446 3.576 5.209 . 0 0 "[ . 1 . 2]" 1
35 1 3 LEU MD1 1 21 THR HA 3.680 . 5.330 2.959 2.127 3.761 . 0 0 "[ . 1 . 2]" 1
36 1 3 LEU MD1 1 21 THR MG 4.000 . 6.000 2.328 1.747 3.022 0.053 9 0 "[ . 1 . 2]" 1
37 1 3 LEU MD1 1 24 PHE HB2 4.480 . 6.640 3.459 2.679 4.082 . 0 0 "[ . 1 . 2]" 1
38 1 3 LEU MD1 1 24 PHE HB3 5.100 . 7.500 3.541 2.949 4.356 . 0 0 "[ . 1 . 2]" 1
39 1 3 LEU MD1 1 24 PHE QD 4.840 . 7.240 3.649 3.112 4.420 . 0 0 "[ . 1 . 2]" 1
40 1 3 LEU MD1 1 24 PHE QE 5.140 . 7.540 4.358 3.788 5.224 . 0 0 "[ . 1 . 2]" 1
41 1 3 LEU MD1 1 37 VAL HB 4.360 . 6.760 3.806 2.946 5.342 . 0 0 "[ . 1 . 2]" 1
42 1 3 LEU MD1 1 37 VAL MG2 4.000 . 6.000 3.859 3.475 3.999 . 0 0 "[ . 1 . 2]" 1
43 1 3 LEU MD1 1 39 VAL QG 3.950 . 8.750 3.897 3.251 4.341 . 0 0 "[ . 1 . 2]" 1
44 1 3 LEU MD2 1 21 THR HA 4.330 . 5.330 4.487 2.850 5.342 0.012 16 0 "[ . 1 . 2]" 1
45 1 3 LEU MD2 1 21 THR MG 4.000 . 6.000 2.783 1.883 3.678 . 0 0 "[ . 1 . 2]" 1
46 1 3 LEU MD2 1 24 PHE HB2 5.640 . 6.640 4.747 3.387 5.574 . 0 0 "[ . 1 . 2]" 1
47 1 3 LEU MD2 1 24 PHE QD 4.000 . 7.400 4.812 3.961 5.573 . 0 0 "[ . 1 . 2]" 1
48 1 3 LEU MD2 1 37 VAL MG2 5.690 . 7.690 3.888 3.388 4.466 . 0 0 "[ . 1 . 2]" 1
49 1 3 LEU HG 1 5 ILE MD 5.060 . 6.060 5.403 4.491 6.074 0.014 16 0 "[ . 1 . 2]" 1
50 1 3 LEU HG 1 5 ILE HG12 5.380 . 5.380 5.168 4.644 5.397 0.017 5 0 "[ . 1 . 2]" 1
51 1 4 ASN H 1 4 ASN QB 3.260 . 5.260 2.632 2.510 2.812 . 0 0 "[ . 1 . 2]" 1
52 1 4 ASN H 1 5 ILE H 4.750 . 5.750 4.400 4.306 4.423 . 0 0 "[ . 1 . 2]" 1
53 1 4 ASN H 1 36 GLN HA 5.670 . 6.670 5.582 5.213 6.048 . 0 0 "[ . 1 . 2]" 1
54 1 4 ASN H 1 37 VAL H . . 4.810 3.969 3.574 4.235 . 0 0 "[ . 1 . 2]" 1
55 1 4 ASN H 1 37 VAL HB 3.730 . 4.730 4.333 3.708 4.648 . 0 0 "[ . 1 . 2]" 1
56 1 4 ASN H 1 37 VAL MG2 4.900 . 6.900 4.746 3.420 5.587 . 0 0 "[ . 1 . 2]" 1
57 1 4 ASN H 1 38 TYR H 5.200 . 6.200 4.860 4.602 5.050 . 0 0 "[ . 1 . 2]" 1
58 1 4 ASN H 1 38 TYR HA . . 4.740 2.814 2.547 3.200 . 0 0 "[ . 1 . 2]" 1
59 1 4 ASN H 1 38 TYR HD1 5.200 . 6.200 4.787 4.562 5.102 . 0 0 "[ . 1 . 2]" 1
60 1 4 ASN H 1 39 VAL H 5.060 . 6.060 4.298 3.889 4.624 . 0 0 "[ . 1 . 2]" 1
61 1 4 ASN HA 1 5 ILE H 2.930 . 3.930 2.306 2.145 2.447 . 0 0 "[ . 1 . 2]" 1
62 1 4 ASN HA 1 5 ILE MD 5.700 . 6.700 4.812 4.590 5.017 . 0 0 "[ . 1 . 2]" 1
63 1 4 ASN QB 1 5 ILE H 4.030 . 6.030 3.047 2.395 3.782 . 0 0 "[ . 1 . 2]" 1
64 1 4 ASN QB 1 38 TYR H 5.400 . 7.400 5.990 5.185 6.338 . 0 0 "[ . 1 . 2]" 1
65 1 4 ASN QB 1 38 TYR HA 3.530 . 4.530 3.804 3.131 4.193 . 0 0 "[ . 1 . 2]" 1
66 1 4 ASN QB 1 38 TYR HD1 4.490 . 5.490 5.168 4.238 5.507 0.017 8 0 "[ . 1 . 2]" 1
67 1 5 ILE H 1 5 ILE HB 3.450 . 4.450 3.193 2.652 3.665 . 0 0 "[ . 1 . 2]" 1
68 1 5 ILE H 1 5 ILE MD 4.750 . 6.750 3.831 3.675 3.997 . 0 0 "[ . 1 . 2]" 1
69 1 5 ILE H 1 5 ILE HG12 4.200 . 5.200 3.115 2.396 3.774 . 0 0 "[ . 1 . 2]" 1
70 1 5 ILE H 1 5 ILE HG13 3.710 . 4.710 2.304 1.974 2.631 . 0 0 "[ . 1 . 2]" 1
71 1 5 ILE H 1 5 ILE MG 4.430 . 6.430 3.707 3.430 3.942 . 0 0 "[ . 1 . 2]" 1
72 1 5 ILE H 1 39 VAL H 5.700 . 6.700 4.985 4.784 5.390 . 0 0 "[ . 1 . 2]" 1
73 1 5 ILE HA 1 5 ILE MD 4.000 . 5.000 4.020 3.842 4.178 . 0 0 "[ . 1 . 2]" 1
74 1 5 ILE HA 1 5 ILE HG12 4.210 . 4.210 3.130 2.595 3.694 . 0 0 "[ . 1 . 2]" 1
75 1 5 ILE HA 1 5 ILE HG13 4.340 . 4.340 3.431 3.162 3.747 . 0 0 "[ . 1 . 2]" 1
76 1 5 ILE HA 1 5 ILE MG 3.000 . 3.600 2.123 1.964 2.307 . 0 0 "[ . 1 . 2]" 1
77 1 5 ILE HA 1 6 THR H 2.660 . 3.660 2.287 2.188 2.327 . 0 0 "[ . 1 . 2]" 1
78 1 5 ILE HA 1 12 ILE MD 5.700 . 6.700 5.185 4.268 5.851 . 0 0 "[ . 1 . 2]" 1
79 1 5 ILE HA 1 39 VAL H 3.370 . 4.370 2.636 2.373 3.006 . 0 0 "[ . 1 . 2]" 1
80 1 5 ILE HA 1 39 VAL HA 5.680 . 5.680 4.981 4.716 5.435 . 0 0 "[ . 1 . 2]" 1
81 1 5 ILE HA 1 39 VAL HB 3.960 . 3.960 3.519 3.179 3.829 . 0 0 "[ . 1 . 2]" 1
82 1 5 ILE HA 1 39 VAL QG 4.550 . 6.950 3.963 3.809 4.094 . 0 0 "[ . 1 . 2]" 1
83 1 5 ILE HB 1 5 ILE MD 3.000 . 4.000 2.366 2.148 2.488 . 0 0 "[ . 1 . 2]" 1
84 1 5 ILE HB 1 6 THR H 4.450 . 5.450 3.223 2.689 3.937 . 0 0 "[ . 1 . 2]" 1
85 1 5 ILE MD 1 12 ILE MD 3.000 . 5.000 3.130 2.916 3.272 . 0 0 "[ . 1 . 2]" 1
86 1 5 ILE MD 1 17 ARG HA 3.410 . 4.410 2.213 1.931 2.563 . 0 0 "[ . 1 . 2]" 1
87 1 5 ILE MD 1 17 ARG HB2 3.860 . 4.860 2.274 2.005 2.538 . 0 0 "[ . 1 . 2]" 1
88 1 5 ILE MD 1 17 ARG HB3 4.690 . 5.690 2.459 1.928 3.056 . 0 0 "[ . 1 . 2]" 1
89 1 5 ILE MD 1 17 ARG HD2 5.190 . 6.190 4.083 3.172 5.395 . 0 0 "[ . 1 . 2]" 1
90 1 5 ILE MD 1 17 ARG QD 4.510 . 6.510 3.682 3.102 4.183 . 0 0 "[ . 1 . 2]" 1
91 1 5 ILE MD 1 17 ARG HD3 5.190 . 6.190 4.589 3.458 5.431 . 0 0 "[ . 1 . 2]" 1
92 1 5 ILE MD 1 18 GLU H 5.050 . 7.050 4.798 4.515 5.003 . 0 0 "[ . 1 . 2]" 1
93 1 5 ILE MD 1 20 VAL HA 5.700 . 6.700 5.552 4.784 6.039 . 0 0 "[ . 1 . 2]" 1
94 1 5 ILE MD 1 20 VAL HB 3.930 . 4.930 3.025 2.220 3.578 . 0 0 "[ . 1 . 2]" 1
95 1 5 ILE MD 1 20 VAL QG 4.000 . 5.590 2.802 2.235 3.182 . 0 0 "[ . 1 . 2]" 1
96 1 5 ILE MD 1 21 THR H 4.110 . 6.110 4.136 3.403 4.601 . 0 0 "[ . 1 . 2]" 1
97 1 5 ILE QG 1 5 ILE MG 3.000 . 5.000 2.261 2.035 2.380 . 0 0 "[ . 1 . 2]" 1
98 1 5 ILE HG12 1 39 VAL HB 5.070 . 5.070 4.208 2.864 5.093 0.023 2 0 "[ . 1 . 2]" 1
99 1 5 ILE HG13 1 5 ILE MG 3.500 . 4.500 3.184 3.141 3.203 . 0 0 "[ . 1 . 2]" 1
100 1 5 ILE HG13 1 17 ARG HB2 4.650 . 4.650 4.481 4.192 4.659 0.009 11 0 "[ . 1 . 2]" 1
101 1 5 ILE HG13 1 20 VAL QG 5.090 . 6.090 4.803 4.084 5.381 . 0 0 "[ . 1 . 2]" 1
102 1 5 ILE MG 1 6 THR H 3.220 . 5.220 2.653 1.991 3.251 . 0 0 "[ . 1 . 2]" 1
103 1 5 ILE MG 1 6 THR HA 4.750 . 5.750 4.390 3.427 5.181 . 0 0 "[ . 1 . 2]" 1
104 1 5 ILE MG 1 7 GLY H 4.960 . 6.960 4.977 3.854 6.228 . 0 0 "[ . 1 . 2]" 1
105 1 5 ILE MG 1 7 GLY HA3 5.270 . 6.270 5.381 4.273 6.320 0.050 7 0 "[ . 1 . 2]" 1
106 1 5 ILE MG 1 17 ARG HA 4.080 . 5.080 3.912 3.399 4.251 . 0 0 "[ . 1 . 2]" 1
107 1 5 ILE MG 1 17 ARG HB2 4.190 . 5.190 4.819 4.324 5.078 . 0 0 "[ . 1 . 2]" 1
108 1 5 ILE MG 1 20 VAL QG 3.950 . 4.950 2.768 2.168 3.369 . 0 0 "[ . 1 . 2]" 1
109 1 5 ILE MG 1 39 VAL H 4.860 . 6.860 3.193 2.271 4.288 . 0 0 "[ . 1 . 2]" 1
110 1 5 ILE MG 1 39 VAL HB 4.360 . 5.360 2.375 1.850 3.379 . 0 0 "[ . 1 . 2]" 1
111 1 5 ILE MG 1 41 LEU H 5.700 . 7.700 4.676 3.728 5.379 . 0 0 "[ . 1 . 2]" 1
112 1 5 ILE MG 1 41 LEU MD1 3.240 . 6.640 2.710 2.119 3.118 . 0 0 "[ . 1 . 2]" 1
113 1 6 THR H 1 6 THR HB 3.460 . 4.460 2.945 2.648 3.068 . 0 0 "[ . 1 . 2]" 1
114 1 6 THR H 1 6 THR MG 4.250 . 6.250 3.970 3.871 4.024 . 0 0 "[ . 1 . 2]" 1
115 1 6 THR H 1 12 ILE MD 5.080 . 7.080 4.289 3.406 4.725 . 0 0 "[ . 1 . 2]" 1
116 1 6 THR H 1 38 TYR HA 5.700 . 6.700 5.684 5.366 6.030 . 0 0 "[ . 1 . 2]" 1
117 1 6 THR H 1 39 VAL H . . 4.980 3.961 3.631 4.261 . 0 0 "[ . 1 . 2]" 1
118 1 6 THR H 1 39 VAL HA 5.700 . 6.700 5.305 5.120 5.424 . 0 0 "[ . 1 . 2]" 1
119 1 6 THR H 1 39 VAL HB 3.910 . 4.910 4.364 3.894 4.689 . 0 0 "[ . 1 . 2]" 1
120 1 6 THR H 1 39 VAL QG 5.300 . 8.700 4.483 4.207 4.683 . 0 0 "[ . 1 . 2]" 1
121 1 6 THR H 1 40 VAL H 5.410 . 6.410 4.984 4.701 5.274 . 0 0 "[ . 1 . 2]" 1
122 1 6 THR H 1 40 VAL HA 5.000 . 5.000 2.989 2.582 3.465 . 0 0 "[ . 1 . 2]" 1
123 1 6 THR HA 1 6 THR HB 3.000 . 3.000 3.008 2.974 3.025 0.025 7 0 "[ . 1 . 2]" 1
124 1 6 THR HA 1 6 THR MG 3.000 . 3.600 2.283 2.128 2.456 . 0 0 "[ . 1 . 2]" 1
125 1 6 THR HA 1 7 GLY H 2.910 . 3.910 2.169 2.145 2.416 . 0 0 "[ . 1 . 2]" 1
126 1 6 THR HA 1 12 ILE MD 4.600 . 5.600 3.906 3.044 4.732 . 0 0 "[ . 1 . 2]" 1
127 1 6 THR HA 1 40 VAL HA 5.270 . 5.270 5.087 4.883 5.251 . 0 0 "[ . 1 . 2]" 1
128 1 6 THR HB 1 40 VAL HA 3.990 . 3.990 3.792 2.661 4.054 0.064 6 0 "[ . 1 . 2]" 1
129 1 6 THR HB 1 40 VAL MG2 3.380 . 4.380 2.212 2.001 2.588 . 0 0 "[ . 1 . 2]" 1
130 1 6 THR HB 1 41 LEU H 4.960 . 5.960 5.154 4.002 5.684 . 0 0 "[ . 1 . 2]" 1
131 1 6 THR MG 1 7 GLY H 3.400 . 5.400 2.844 1.945 3.072 . 0 0 "[ . 1 . 2]" 1
132 1 6 THR MG 1 7 GLY HA2 4.800 . 5.800 4.264 4.044 4.579 . 0 0 "[ . 1 . 2]" 1
133 1 6 THR MG 1 7 GLY HA3 4.800 . 5.800 4.595 4.204 4.794 . 0 0 "[ . 1 . 2]" 1
134 1 6 THR MG 1 8 ASN HA 4.880 . 5.880 4.716 4.313 5.341 . 0 0 "[ . 1 . 2]" 1
135 1 6 THR MG 1 8 ASN HB3 4.930 . 5.930 4.575 3.537 5.414 . 0 0 "[ . 1 . 2]" 1
136 1 6 THR MG 1 40 VAL HA 4.120 . 5.120 4.909 4.141 5.133 0.013 9 0 "[ . 1 . 2]" 1
137 1 6 THR MG 1 40 VAL MG1 4.070 . 6.070 3.264 2.441 3.719 . 0 0 "[ . 1 . 2]" 1
138 1 6 THR MG 1 40 VAL MG2 3.560 . 4.560 3.384 2.764 3.736 . 0 0 "[ . 1 . 2]" 1
139 1 6 THR MG 1 41 LEU H 5.030 . 7.030 5.607 4.761 5.922 . 0 0 "[ . 1 . 2]" 1
140 1 7 GLY H 1 8 ASN HA 5.530 . 6.530 5.080 4.694 5.199 . 0 0 "[ . 1 . 2]" 1
141 1 7 GLY H 1 12 ILE MD 4.010 . 6.010 3.058 2.286 3.883 . 0 0 "[ . 1 . 2]" 1
142 1 7 GLY H 1 12 ILE HG13 4.090 . 5.090 3.654 3.044 4.296 . 0 0 "[ . 1 . 2]" 1
143 1 7 GLY H 1 12 ILE MG 5.700 . 7.700 5.157 4.424 5.854 . 0 0 "[ . 1 . 2]" 1
144 1 7 GLY H 1 40 VAL HA 5.700 . 6.700 5.300 4.918 5.780 . 0 0 "[ . 1 . 2]" 1
145 1 7 GLY H 1 40 VAL MG1 5.700 . 7.700 4.508 3.847 4.880 . 0 0 "[ . 1 . 2]" 1
146 1 7 GLY QA 1 10 VAL MG1 4.000 . 6.000 2.742 1.905 4.236 . 0 0 "[ . 1 . 2]" 1
147 1 7 GLY QA 1 10 VAL MG2 4.000 . 6.000 3.859 2.031 4.332 . 0 0 "[ . 1 . 2]" 1
148 1 7 GLY QA 1 12 ILE MD 4.000 . 6.000 2.487 1.867 3.349 . 0 0 "[ . 1 . 2]" 1
149 1 7 GLY QA 1 41 LEU H 5.000 . 6.000 2.943 2.336 4.235 . 0 0 "[ . 1 . 2]" 1
150 1 7 GLY HA2 1 8 ASN H 3.240 . 4.240 2.155 2.126 2.391 . 0 0 "[ . 1 . 2]" 1
151 1 7 GLY HA2 1 10 VAL MG1 3.820 . 6.220 3.455 2.514 5.114 . 0 0 "[ . 1 . 2]" 1
152 1 7 GLY HA2 1 12 ILE MD 3.660 . 4.660 3.492 2.681 4.494 . 0 0 "[ . 1 . 2]" 1
153 1 7 GLY HA2 1 40 VAL MG1 4.380 . 5.380 3.124 2.100 4.509 . 0 0 "[ . 1 . 2]" 1
154 1 7 GLY HA2 1 41 LEU H 3.800 . 4.800 2.987 2.381 4.327 . 0 0 "[ . 1 . 2]" 1
155 1 7 GLY HA3 1 10 VAL H 4.940 . 5.940 4.310 4.200 4.461 . 0 0 "[ . 1 . 2]" 1
156 1 7 GLY HA3 1 10 VAL MG1 3.560 . 5.960 2.924 1.933 4.854 . 0 0 "[ . 1 . 2]" 1
157 1 7 GLY HA3 1 12 ILE MD 3.700 . 4.700 2.577 1.884 3.455 . 0 0 "[ . 1 . 2]" 1
158 1 8 ASN H 1 8 ASN HB3 3.580 . 4.580 3.156 2.881 3.451 . 0 0 "[ . 1 . 2]" 1
159 1 8 ASN H 1 9 ASN H 4.730 . 5.730 4.263 4.084 4.353 . 0 0 "[ . 1 . 2]" 1
160 1 8 ASN H 1 10 VAL H 4.800 . 5.800 4.328 3.763 4.890 . 0 0 "[ . 1 . 2]" 1
161 1 8 ASN H 1 10 VAL MG1 3.800 . 7.200 3.425 2.232 5.514 . 0 0 "[ . 1 . 2]" 1
162 1 8 ASN H 1 12 ILE MD 5.410 . 7.410 5.024 4.452 6.033 . 0 0 "[ . 1 . 2]" 1
163 1 8 ASN H 1 40 VAL MG1 3.950 . 5.950 3.210 2.620 3.947 . 0 0 "[ . 1 . 2]" 1
164 1 8 ASN H 1 41 LEU H . . 4.880 3.769 3.430 4.344 . 0 0 "[ . 1 . 2]" 1
165 1 8 ASN H 1 42 LYS HA . . 4.530 3.465 3.120 4.057 . 0 0 "[ . 1 . 2]" 1
166 1 8 ASN H 1 43 VAL H 5.360 . 6.360 4.922 4.562 5.390 . 0 0 "[ . 1 . 2]" 1
167 1 8 ASN HA 1 9 ASN H 3.310 . 4.310 2.149 2.132 2.161 . 0 0 "[ . 1 . 2]" 1
168 1 8 ASN HA 1 9 ASN HA 4.850 . 4.850 4.369 4.358 4.380 . 0 0 "[ . 1 . 2]" 1
169 1 8 ASN HA 1 10 VAL H 4.230 . 5.230 3.869 3.736 4.018 . 0 0 "[ . 1 . 2]" 1
170 1 8 ASN HA 1 40 VAL MG1 5.700 . 6.700 4.800 4.473 5.354 . 0 0 "[ . 1 . 2]" 1
171 1 8 ASN HB2 1 9 ASN H 4.710 . 5.710 3.665 3.548 3.739 . 0 0 "[ . 1 . 2]" 1
172 1 8 ASN HB2 1 10 VAL H 5.700 . 6.700 5.445 4.807 5.702 . 0 0 "[ . 1 . 2]" 1
173 1 8 ASN HB2 1 40 VAL MG1 4.810 . 5.810 4.678 4.376 5.046 . 0 0 "[ . 1 . 2]" 1
174 1 8 ASN HB2 1 42 LYS HA 4.340 . 4.340 4.317 3.841 4.421 0.081 12 0 "[ . 1 . 2]" 1
175 1 8 ASN HB2 1 42 LYS HB2 4.100 . 4.100 4.129 3.782 4.328 0.228 20 0 "[ . 1 . 2]" 1
176 1 8 ASN HB2 1 42 LYS HG3 5.220 . 5.220 3.992 3.543 4.702 . 0 0 "[ . 1 . 2]" 1
177 1 8 ASN HB3 1 9 ASN H 4.590 . 5.590 4.251 4.126 4.395 . 0 0 "[ . 1 . 2]" 1
178 1 8 ASN HB3 1 40 VAL MG1 3.960 . 4.960 3.651 3.062 4.047 . 0 0 "[ . 1 . 2]" 1
179 1 8 ASN HB3 1 42 LYS HB2 4.720 . 4.720 4.697 4.390 4.820 0.100 13 0 "[ . 1 . 2]" 1
180 1 8 ASN HB3 1 42 LYS HD3 5.700 . 5.700 5.609 5.186 5.712 0.012 10 0 "[ . 1 . 2]" 1
181 1 9 ASN H 1 10 VAL H 3.960 . 4.960 2.628 2.490 3.220 . 0 0 "[ . 1 . 2]" 1
182 1 9 ASN HA 1 10 VAL MG1 5.640 . 8.040 4.914 4.507 5.765 . 0 0 "[ . 1 . 2]" 1
183 1 9 ASN HB2 1 10 VAL H 4.780 . 5.780 4.464 3.656 4.592 . 0 0 "[ . 1 . 2]" 1
184 1 9 ASN HB2 1 43 VAL H 4.220 . 5.220 4.625 4.323 4.929 . 0 0 "[ . 1 . 2]" 1
185 1 9 ASN HB2 1 43 VAL HB 5.630 . 5.630 5.628 5.462 5.667 0.037 19 0 "[ . 1 . 2]" 1
186 1 9 ASN HB3 1 10 VAL H 4.600 . 5.600 4.013 2.557 4.255 . 0 0 "[ . 1 . 2]" 1
187 1 9 ASN HB3 1 43 VAL H 4.150 . 5.150 3.148 2.713 3.592 . 0 0 "[ . 1 . 2]" 1
188 1 9 ASN HB3 1 43 VAL HB 4.370 . 4.370 3.902 3.847 3.962 . 0 0 "[ . 1 . 2]" 1
189 1 9 ASN HB3 1 43 VAL MG1 4.190 . 5.190 5.123 5.044 5.193 0.003 6 0 "[ . 1 . 2]" 1
190 1 10 VAL H 1 10 VAL HB 4.120 . 5.120 3.256 2.737 3.848 . 0 0 "[ . 1 . 2]" 1
191 1 10 VAL H 1 10 VAL MG1 3.330 . 6.270 2.721 1.951 4.013 . 0 0 "[ . 1 . 2]" 1
192 1 10 VAL H 1 10 VAL MG2 4.270 . 6.270 3.596 2.232 3.998 . 0 0 "[ . 1 . 2]" 1
193 1 10 VAL H 1 11 GLU H 5.000 . 6.000 4.261 4.209 4.558 . 0 0 "[ . 1 . 2]" 1
194 1 10 VAL H 1 12 ILE MD 5.700 . 7.700 5.297 4.582 6.080 . 0 0 "[ . 1 . 2]" 1
195 1 10 VAL H 1 42 LYS HA 5.460 . 6.460 5.688 4.459 6.226 . 0 0 "[ . 1 . 2]" 1
196 1 10 VAL HA 1 10 VAL MG1 3.000 . 3.600 2.901 2.105 3.194 . 0 0 "[ . 1 . 2]" 1
197 1 10 VAL HA 1 10 VAL MG2 3.000 . 3.600 2.379 2.225 3.167 . 0 0 "[ . 1 . 2]" 1
198 1 10 VAL HA 1 11 GLU H 2.750 . 3.750 2.215 2.172 2.488 . 0 0 "[ . 1 . 2]" 1
199 1 10 VAL HA 1 43 VAL MG1 4.690 . 5.690 4.790 4.205 5.484 . 0 0 "[ . 1 . 2]" 1
200 1 10 VAL HA 1 43 VAL MG2 5.190 . 6.190 3.839 3.447 4.527 . 0 0 "[ . 1 . 2]" 1
201 1 10 VAL HB 1 43 VAL MG1 5.490 . 6.490 4.497 3.664 6.186 . 0 0 "[ . 1 . 2]" 1
202 1 10 VAL HB 1 43 VAL MG2 4.490 . 5.490 2.567 1.888 3.950 . 0 0 "[ . 1 . 2]" 1
203 1 10 VAL MG1 1 11 GLU H 3.590 . 6.990 3.436 2.207 3.931 . 0 0 "[ . 1 . 2]" 1
204 1 10 VAL MG1 1 11 GLU HA 5.150 . 7.550 4.308 3.853 5.528 . 0 0 "[ . 1 . 2]" 1
205 1 10 VAL MG1 1 11 GLU QG 4.790 . 8.190 5.048 3.116 5.857 . 0 0 "[ . 1 . 2]" 1
206 1 10 VAL MG1 1 12 ILE MD 3.500 . 6.900 2.933 2.050 4.672 . 0 0 "[ . 1 . 2]" 1
207 1 10 VAL MG1 1 12 ILE HG12 4.390 . 6.790 4.036 3.111 5.723 . 0 0 "[ . 1 . 2]" 1
208 1 10 VAL MG1 1 41 LEU H 5.640 . 9.040 4.603 3.817 6.150 . 0 0 "[ . 1 . 2]" 1
209 1 10 VAL MG1 1 41 LEU MD1 3.020 . 7.820 4.345 3.840 5.304 . 0 0 "[ . 1 . 2]" 1
210 1 10 VAL MG1 1 42 LYS HA 4.160 . 6.560 3.998 3.303 5.313 . 0 0 "[ . 1 . 2]" 1
211 1 10 VAL MG1 1 43 VAL H 4.110 . 6.960 4.028 3.082 5.025 . 0 0 "[ . 1 . 2]" 1
212 1 10 VAL MG1 1 43 VAL HA 5.130 . 7.530 5.357 4.331 5.663 . 0 0 "[ . 1 . 2]" 1
213 1 10 VAL MG1 1 43 VAL HB 3.260 . 5.030 3.960 2.666 4.437 . 0 0 "[ . 1 . 2]" 1
214 1 10 VAL MG1 1 43 VAL MG2 2.880 . 5.800 2.439 1.759 2.763 0.041 19 0 "[ . 1 . 2]" 1
215 1 10 VAL MG1 1 70 MET HA 5.480 . 7.880 6.127 5.373 6.439 . 0 0 "[ . 1 . 2]" 1
216 1 10 VAL MG1 1 70 MET HB2 4.270 . 6.670 5.100 3.857 5.482 . 0 0 "[ . 1 . 2]" 1
217 1 10 VAL MG1 1 70 MET HB3 5.550 . 7.950 5.876 4.507 6.432 . 0 0 "[ . 1 . 2]" 1
218 1 10 VAL MG1 1 70 MET QG 4.060 . 7.460 4.105 2.668 4.694 . 0 0 "[ . 1 . 2]" 1
219 1 10 VAL MG2 1 43 VAL H 4.960 . 6.960 4.191 2.571 5.098 . 0 0 "[ . 1 . 2]" 1
220 1 10 VAL MG2 1 43 VAL HB 4.030 . 5.030 3.274 2.098 4.798 . 0 0 "[ . 1 . 2]" 1
221 1 10 VAL MG2 1 43 VAL MG2 3.800 . 4.800 1.983 1.771 3.459 0.029 2 0 "[ . 1 . 2]" 1
222 1 11 GLU H 1 11 GLU HB3 3.270 . 4.270 2.966 2.687 3.375 . 0 0 "[ . 1 . 2]" 1
223 1 11 GLU H 1 11 GLU HG2 4.040 . 5.040 3.385 1.996 4.739 . 0 0 "[ . 1 . 2]" 1
224 1 11 GLU H 1 11 GLU QG 3.480 . 5.480 3.043 1.940 3.978 . 0 0 "[ . 1 . 2]" 1
225 1 11 GLU H 1 11 GLU HG3 4.040 . 5.040 3.796 2.199 4.462 . 0 0 "[ . 1 . 2]" 1
226 1 11 GLU H 1 12 ILE H 4.780 . 5.780 4.459 4.413 4.511 . 0 0 "[ . 1 . 2]" 1
227 1 11 GLU H 1 13 THR MG 5.410 . 7.410 4.969 3.983 5.650 . 0 0 "[ . 1 . 2]" 1
228 1 11 GLU HA 1 12 ILE H 2.670 . 3.670 2.154 2.138 2.267 . 0 0 "[ . 1 . 2]" 1
229 1 11 GLU HA 1 12 ILE MD 4.690 . 5.690 4.614 4.109 5.085 . 0 0 "[ . 1 . 2]" 1
230 1 11 GLU HA 1 12 ILE HG12 4.080 . 4.080 3.742 3.521 3.987 . 0 0 "[ . 1 . 2]" 1
231 1 11 GLU HB2 1 12 ILE H 4.050 . 5.050 3.989 2.791 4.572 . 0 0 "[ . 1 . 2]" 1
232 1 11 GLU HB2 1 13 THR H 5.340 . 6.340 5.503 4.658 6.353 0.013 11 0 "[ . 1 . 2]" 1
233 1 11 GLU HB2 1 13 THR MG 3.960 . 4.960 3.826 2.835 4.470 . 0 0 "[ . 1 . 2]" 1
234 1 11 GLU QG 1 12 ILE H 4.800 . 6.800 3.733 2.946 4.400 . 0 0 "[ . 1 . 2]" 1
235 1 11 GLU QG 1 13 THR H 4.700 . 6.700 4.886 4.015 6.202 . 0 0 "[ . 1 . 2]" 1
236 1 11 GLU QG 1 13 THR MG 3.240 . 5.240 3.178 2.142 4.315 . 0 0 "[ . 1 . 2]" 1
237 1 11 GLU HG2 1 13 THR MG 3.960 . 4.960 3.805 2.502 4.966 0.006 5 0 "[ . 1 . 2]" 1
238 1 11 GLU HG3 1 13 THR MG 3.960 . 4.960 3.732 2.172 4.967 0.007 14 0 "[ . 1 . 2]" 1
239 1 12 ILE H 1 12 ILE HB 3.040 . 4.040 2.527 2.403 2.610 . 0 0 "[ . 1 . 2]" 1
240 1 12 ILE H 1 12 ILE HG12 3.490 . 4.490 2.210 2.009 2.571 . 0 0 "[ . 1 . 2]" 1
241 1 12 ILE H 1 12 ILE HG13 4.030 . 5.030 3.583 3.487 3.707 . 0 0 "[ . 1 . 2]" 1
242 1 12 ILE H 1 12 ILE MG 4.130 . 6.130 3.777 3.749 3.791 . 0 0 "[ . 1 . 2]" 1
243 1 12 ILE H 1 13 THR H 4.540 . 5.540 4.241 4.152 4.452 . 0 0 "[ . 1 . 2]" 1
244 1 12 ILE HA 1 12 ILE MD 3.000 . 4.000 2.148 1.997 2.234 . 0 0 "[ . 1 . 2]" 1
245 1 12 ILE HA 1 12 ILE HG12 4.160 . 4.160 2.968 2.755 3.124 . 0 0 "[ . 1 . 2]" 1
246 1 12 ILE HA 1 12 ILE MG 3.000 . 3.600 2.325 2.209 2.442 . 0 0 "[ . 1 . 2]" 1
247 1 12 ILE HA 1 13 THR H 2.650 . 3.650 2.199 2.142 2.233 . 0 0 "[ . 1 . 2]" 1
248 1 12 ILE HA 1 13 THR HA 5.180 . 5.180 4.428 4.396 4.449 . 0 0 "[ . 1 . 2]" 1
249 1 12 ILE HA 1 16 LEU HB3 4.230 . 4.230 3.307 2.754 3.800 . 0 0 "[ . 1 . 2]" 1
250 1 12 ILE HA 1 16 LEU MD1 3.430 . 5.830 4.344 3.788 4.713 . 0 0 "[ . 1 . 2]" 1
251 1 12 ILE HA 1 16 LEU MD2 4.850 . 5.850 3.897 2.021 5.806 . 0 0 "[ . 1 . 2]" 1
252 1 12 ILE HA 1 16 LEU HG 5.040 . 5.040 4.222 3.228 5.016 . 0 0 "[ . 1 . 2]" 1
253 1 12 ILE HB 1 13 THR H 4.800 . 5.800 4.419 4.320 4.490 . 0 0 "[ . 1 . 2]" 1
254 1 12 ILE MD 1 12 ILE MG 3.000 . 4.860 1.974 1.851 2.090 . 0 0 "[ . 1 . 2]" 1
255 1 12 ILE MD 1 13 THR H 4.220 . 6.220 3.909 3.641 4.023 . 0 0 "[ . 1 . 2]" 1
256 1 12 ILE MD 1 16 LEU MD1 3.020 . 6.420 3.722 2.602 4.295 . 0 0 "[ . 1 . 2]" 1
257 1 12 ILE MD 1 40 VAL HA 5.700 . 6.700 5.274 4.439 5.572 . 0 0 "[ . 1 . 2]" 1
258 1 12 ILE MD 1 41 LEU H 5.080 . 7.080 4.920 4.387 5.314 . 0 0 "[ . 1 . 2]" 1
259 1 12 ILE MD 1 41 LEU MD1 3.200 . 5.240 3.691 3.173 4.177 . 0 0 "[ . 1 . 2]" 1
260 1 12 ILE MD 1 41 LEU MD2 3.000 . 5.000 2.809 2.163 3.325 . 0 0 "[ . 1 . 2]" 1
261 1 12 ILE QG 1 12 ILE MG 3.000 . 5.000 2.330 2.259 2.381 . 0 0 "[ . 1 . 2]" 1
262 1 12 ILE HG13 1 12 ILE MG 3.540 . 4.540 2.395 2.310 2.457 . 0 0 "[ . 1 . 2]" 1
263 1 12 ILE MG 1 13 THR H 3.740 . 5.740 3.189 2.837 3.403 . 0 0 "[ . 1 . 2]" 1
264 1 12 ILE MG 1 13 THR HA 4.520 . 5.520 4.014 3.740 4.194 . 0 0 "[ . 1 . 2]" 1
265 1 12 ILE MG 1 16 LEU MD1 3.950 . 7.350 4.344 3.525 4.908 . 0 0 "[ . 1 . 2]" 1
266 1 12 ILE MG 1 17 ARG H 3.830 . 5.830 3.088 2.730 3.645 . 0 0 "[ . 1 . 2]" 1
267 1 12 ILE MG 1 17 ARG HB2 4.650 . 5.650 3.601 3.171 4.480 . 0 0 "[ . 1 . 2]" 1
268 1 12 ILE MG 1 17 ARG HB3 3.870 . 4.870 2.294 1.942 3.075 . 0 0 "[ . 1 . 2]" 1
269 1 12 ILE MG 1 17 ARG QD 4.050 . 6.050 3.267 1.861 4.656 . 0 0 "[ . 1 . 2]" 1
270 1 13 THR H 1 13 THR MG 2.860 . 4.860 2.798 2.296 3.183 . 0 0 "[ . 1 . 2]" 1
271 1 13 THR H 1 14 GLU H 4.980 . 5.980 4.532 4.467 4.555 . 0 0 "[ . 1 . 2]" 1
272 1 13 THR H 1 15 ALA H 5.230 . 6.230 5.013 4.728 5.378 . 0 0 "[ . 1 . 2]" 1
273 1 13 THR H 1 15 ALA MB 5.560 . 7.560 5.170 4.823 5.395 . 0 0 "[ . 1 . 2]" 1
274 1 13 THR H 1 16 LEU H 3.960 . 4.960 3.641 3.462 3.875 . 0 0 "[ . 1 . 2]" 1
275 1 13 THR H 1 16 LEU HB3 3.010 . 4.010 2.763 2.115 3.294 . 0 0 "[ . 1 . 2]" 1
276 1 13 THR H 1 16 LEU MD1 3.840 . 7.240 4.365 3.773 4.800 . 0 0 "[ . 1 . 2]" 1
277 1 13 THR H 1 16 LEU HG 4.280 . 5.280 4.187 3.271 5.206 . 0 0 "[ . 1 . 2]" 1
278 1 13 THR H 1 17 ARG H 4.660 . 5.660 3.886 3.359 4.472 . 0 0 "[ . 1 . 2]" 1
279 1 13 THR HA 1 13 THR MG 3.000 . 3.600 2.318 2.113 2.533 . 0 0 "[ . 1 . 2]" 1
280 1 13 THR HA 1 14 GLU H 2.970 . 3.970 2.224 2.154 2.315 . 0 0 "[ . 1 . 2]" 1
281 1 13 THR HA 1 14 GLU HA 5.500 . 5.500 4.308 4.292 4.338 . 0 0 "[ . 1 . 2]" 1
282 1 13 THR HA 1 14 GLU QB 5.020 . 6.020 4.409 4.088 4.694 . 0 0 "[ . 1 . 2]" 1
283 1 13 THR HA 1 15 ALA H 4.550 . 5.550 4.243 3.961 4.631 . 0 0 "[ . 1 . 2]" 1
284 1 13 THR HA 1 16 LEU H 5.020 . 6.020 4.626 4.575 4.682 . 0 0 "[ . 1 . 2]" 1
285 1 13 THR HA 1 17 ARG H 5.540 . 6.540 5.090 4.723 5.470 . 0 0 "[ . 1 . 2]" 1
286 1 13 THR HB 1 14 GLU H 3.220 . 4.220 2.980 2.632 3.291 . 0 0 "[ . 1 . 2]" 1
287 1 13 THR HB 1 15 ALA H 3.310 . 4.310 2.940 2.556 3.393 . 0 0 "[ . 1 . 2]" 1
288 1 13 THR HB 1 15 ALA MB 4.290 . 5.290 3.455 2.957 4.166 . 0 0 "[ . 1 . 2]" 1
289 1 13 THR HB 1 16 LEU H 5.000 . 5.000 3.616 3.064 4.148 . 0 0 "[ . 1 . 2]" 1
290 1 13 THR MG 1 14 GLU H 4.350 . 6.350 3.748 3.385 4.039 . 0 0 "[ . 1 . 2]" 1
291 1 13 THR MG 1 15 ALA H 4.810 . 6.810 4.424 4.131 4.739 . 0 0 "[ . 1 . 2]" 1
292 1 13 THR MG 1 16 LEU H 4.600 . 6.600 4.430 4.117 4.748 . 0 0 "[ . 1 . 2]" 1
293 1 13 THR MG 1 16 LEU HB2 5.400 . 6.400 4.230 3.690 4.940 . 0 0 "[ . 1 . 2]" 1
294 1 13 THR MG 1 16 LEU HB3 5.590 . 6.590 4.883 3.991 5.413 . 0 0 "[ . 1 . 2]" 1
295 1 14 GLU H 1 14 GLU HB2 3.380 . 4.380 2.621 2.106 3.621 . 0 0 "[ . 1 . 2]" 1
296 1 14 GLU H 1 14 GLU QB 2.850 . 4.850 2.414 2.076 2.674 . 0 0 "[ . 1 . 2]" 1
297 1 14 GLU H 1 14 GLU HB3 3.380 . 4.380 3.314 2.539 3.610 . 0 0 "[ . 1 . 2]" 1
298 1 14 GLU H 1 14 GLU QG 3.540 . 5.540 2.742 1.987 4.000 . 0 0 "[ . 1 . 2]" 1
299 1 14 GLU H 1 15 ALA H 3.660 . 4.660 3.082 2.973 3.242 . 0 0 "[ . 1 . 2]" 1
300 1 14 GLU HA 1 14 GLU HG2 4.170 . 4.170 2.940 2.074 3.672 . 0 0 "[ . 1 . 2]" 1
301 1 14 GLU HA 1 14 GLU QG 3.590 . 4.590 2.443 2.054 3.337 . 0 0 "[ . 1 . 2]" 1
302 1 14 GLU HA 1 14 GLU HG3 4.170 . 4.170 2.947 2.115 4.064 . 0 0 "[ . 1 . 2]" 1
303 1 14 GLU HA 1 17 ARG H 4.070 . 5.070 3.986 3.712 4.268 . 0 0 "[ . 1 . 2]" 1
304 1 14 GLU HA 1 17 ARG HD2 5.050 . 5.050 3.580 2.193 4.121 . 0 0 "[ . 1 . 2]" 1
305 1 14 GLU HA 1 17 ARG QD 4.370 . 5.370 2.570 1.966 3.606 . 0 0 "[ . 1 . 2]" 1
306 1 14 GLU HA 1 17 ARG HD3 5.050 . 5.050 2.855 1.980 4.752 . 0 0 "[ . 1 . 2]" 1
307 1 14 GLU HA 1 17 ARG HG2 4.900 . 4.900 2.301 2.000 2.821 . 0 0 "[ . 1 . 2]" 1
308 1 14 GLU HA 1 17 ARG QG 4.170 . 5.170 2.142 1.959 2.375 . 0 0 "[ . 1 . 2]" 1
309 1 14 GLU HA 1 17 ARG HG3 4.900 . 4.900 2.747 2.209 3.147 . 0 0 "[ . 1 . 2]" 1
310 1 14 GLU HA 1 18 GLU H 4.420 . 5.420 3.824 3.525 4.060 . 0 0 "[ . 1 . 2]" 1
311 1 14 GLU QB 1 15 ALA H 3.160 . 5.160 2.719 2.323 3.450 . 0 0 "[ . 1 . 2]" 1
312 1 14 GLU QB 1 15 ALA MB 4.750 . 5.750 3.909 3.690 4.518 . 0 0 "[ . 1 . 2]" 1
313 1 14 GLU QB 1 17 ARG QG 4.950 . 6.950 3.833 3.583 4.102 . 0 0 "[ . 1 . 2]" 1
314 1 14 GLU QG 1 15 ALA H 4.020 . 6.020 3.892 1.923 4.589 . 0 0 "[ . 1 . 2]" 1
315 1 15 ALA H 1 15 ALA MB 2.670 . 4.670 2.140 2.073 2.251 . 0 0 "[ . 1 . 2]" 1
316 1 15 ALA H 1 16 LEU H 3.260 . 4.260 2.702 2.597 2.808 . 0 0 "[ . 1 . 2]" 1
317 1 15 ALA H 1 16 LEU MD1 5.640 . 9.040 6.272 5.472 6.588 . 0 0 "[ . 1 . 2]" 1
318 1 15 ALA H 1 17 ARG H 4.600 . 5.600 4.538 4.179 4.838 . 0 0 "[ . 1 . 2]" 1
319 1 15 ALA H 1 18 GLU QB 5.240 . 7.240 4.541 4.174 5.086 . 0 0 "[ . 1 . 2]" 1
320 1 15 ALA HA 1 17 ARG H 5.230 . 6.230 4.999 4.656 5.212 . 0 0 "[ . 1 . 2]" 1
321 1 15 ALA HA 1 18 GLU H 4.070 . 5.070 3.740 3.514 3.861 . 0 0 "[ . 1 . 2]" 1
322 1 15 ALA HA 1 18 GLU QB 3.360 . 4.360 2.640 2.282 3.763 . 0 0 "[ . 1 . 2]" 1
323 1 15 ALA HA 1 18 GLU HG2 4.820 . 4.820 4.121 1.935 4.839 0.019 3 0 "[ . 1 . 2]" 1
324 1 15 ALA HA 1 18 GLU QG 4.070 . 5.070 3.465 1.919 4.305 . 0 0 "[ . 1 . 2]" 1
325 1 15 ALA HA 1 18 GLU HG3 4.820 . 4.820 3.897 2.413 4.826 0.006 3 0 "[ . 1 . 2]" 1
326 1 15 ALA HA 1 19 PHE H 4.590 . 5.590 3.868 3.329 4.305 . 0 0 "[ . 1 . 2]" 1
327 1 15 ALA MB 1 16 LEU H 2.960 . 4.960 2.509 2.384 2.575 . 0 0 "[ . 1 . 2]" 1
328 1 15 ALA MB 1 16 LEU HA 4.570 . 5.570 3.748 3.683 3.798 . 0 0 "[ . 1 . 2]" 1
329 1 15 ALA MB 1 18 GLU HG2 5.040 . 6.040 5.416 3.574 6.068 0.028 14 0 "[ . 1 . 2]" 1
330 1 15 ALA MB 1 18 GLU QG 4.460 . 6.460 4.676 3.435 5.350 . 0 0 "[ . 1 . 2]" 1
331 1 15 ALA MB 1 18 GLU HG3 5.040 . 6.040 5.195 3.880 6.042 0.002 3 0 "[ . 1 . 2]" 1
332 1 15 ALA MB 1 19 PHE HB2 5.700 . 6.700 4.535 3.987 5.175 . 0 0 "[ . 1 . 2]" 1
333 1 15 ALA MB 1 71 TYR HE1 4.990 . 5.990 4.067 3.292 4.807 . 0 0 "[ . 1 . 2]" 1
334 1 16 LEU H 1 16 LEU HB3 2.720 . 3.720 2.859 2.443 3.485 . 0 0 "[ . 1 . 2]" 1
335 1 16 LEU H 1 16 LEU MD1 4.080 . 7.480 4.067 3.217 4.306 . 0 0 "[ . 1 . 2]" 1
336 1 16 LEU H 1 17 ARG H 3.070 . 4.070 2.930 2.752 3.052 . 0 0 "[ . 1 . 2]" 1
337 1 16 LEU H 1 17 ARG HB3 5.450 . 6.450 5.408 5.194 5.687 . 0 0 "[ . 1 . 2]" 1
338 1 16 LEU H 1 18 GLU H 4.420 . 5.420 4.080 3.991 4.249 . 0 0 "[ . 1 . 2]" 1
339 1 16 LEU H 1 19 PHE HB2 5.700 . 6.700 5.680 5.153 6.807 0.107 7 0 "[ . 1 . 2]" 1
340 1 16 LEU HA 1 16 LEU MD1 3.000 . 4.000 2.455 1.902 2.958 . 0 0 "[ . 1 . 2]" 1
341 1 16 LEU HA 1 16 LEU MD2 4.000 . 5.000 2.821 1.935 3.945 . 0 0 "[ . 1 . 2]" 1
342 1 16 LEU HA 1 16 LEU HG 4.210 . 4.210 3.294 2.479 3.686 . 0 0 "[ . 1 . 2]" 1
343 1 16 LEU HA 1 18 GLU H 4.850 . 5.850 4.492 4.297 4.750 . 0 0 "[ . 1 . 2]" 1
344 1 16 LEU HA 1 19 PHE HB3 3.660 . 3.660 3.280 2.964 3.749 0.089 11 0 "[ . 1 . 2]" 1
345 1 16 LEU HA 1 19 PHE QD 5.700 . 5.700 4.084 1.642 4.859 0.158 19 0 "[ . 1 . 2]" 1
346 1 16 LEU HA 1 20 VAL QG 4.720 . 5.720 3.926 3.238 4.316 . 0 0 "[ . 1 . 2]" 1
347 1 16 LEU HA 1 71 TYR HD1 5.630 . 5.630 4.580 3.803 5.168 . 0 0 "[ . 1 . 2]" 1
348 1 16 LEU HA 1 71 TYR HE1 4.230 . 4.230 2.814 1.990 3.608 . 0 0 "[ . 1 . 2]" 1
349 1 16 LEU QB 1 16 LEU MD1 3.000 . 5.000 2.203 1.960 2.402 . 0 0 "[ . 1 . 2]" 1
350 1 16 LEU QB 1 16 LEU MD2 3.000 . 5.000 2.160 1.924 2.345 . 0 0 "[ . 1 . 2]" 1
351 1 16 LEU HB2 1 16 LEU MD1 3.020 . 5.420 2.770 1.982 3.196 . 0 0 "[ . 1 . 2]" 1
352 1 16 LEU HB2 1 71 TYR HE1 5.540 . 5.540 4.670 2.921 5.463 . 0 0 "[ . 1 . 2]" 1
353 1 16 LEU HB3 1 16 LEU MD1 3.330 . 5.730 2.643 2.177 3.188 . 0 0 "[ . 1 . 2]" 1
354 1 16 LEU HB3 1 17 ARG H 3.270 . 4.270 2.215 1.942 2.906 . 0 0 "[ . 1 . 2]" 1
355 1 16 LEU HB3 1 18 GLU H 5.700 . 6.700 4.744 4.497 5.222 . 0 0 "[ . 1 . 2]" 1
356 1 16 LEU MD1 1 18 GLU H 5.240 . 8.640 5.409 4.610 6.236 . 0 0 "[ . 1 . 2]" 1
357 1 16 LEU MD1 1 19 PHE H 4.890 . 8.290 4.986 4.304 5.747 . 0 0 "[ . 1 . 2]" 1
358 1 16 LEU MD1 1 19 PHE HB3 3.950 . 6.350 4.031 3.132 5.120 . 0 0 "[ . 1 . 2]" 1
359 1 16 LEU MD1 1 19 PHE QD 4.720 . 7.120 4.026 2.829 5.151 . 0 0 "[ . 1 . 2]" 1
360 1 16 LEU MD1 1 20 VAL H 4.010 . 7.410 4.409 3.713 5.619 . 0 0 "[ . 1 . 2]" 1
361 1 16 LEU MD1 1 20 VAL QG 2.900 . 6.300 2.921 2.154 4.298 . 0 0 "[ . 1 . 2]" 1
362 1 16 LEU MD1 1 70 MET HB3 5.640 . 8.040 3.734 2.829 4.906 . 0 0 "[ . 1 . 2]" 1
363 1 16 LEU MD1 1 70 MET QG 3.850 . 7.250 2.379 1.775 3.909 0.025 4 0 "[ . 1 . 2]" 1
364 1 16 LEU MD1 1 71 TYR HD1 4.770 . 7.170 3.981 2.115 4.656 . 0 0 "[ . 1 . 2]" 1
365 1 16 LEU MD1 1 71 TYR HE1 3.770 . 6.170 3.482 1.944 4.394 . 0 0 "[ . 1 . 2]" 1
366 1 16 LEU HG 1 17 ARG H 4.460 . 5.460 4.221 3.228 4.917 . 0 0 "[ . 1 . 2]" 1
367 1 16 LEU HG 1 20 VAL QG 4.960 . 5.960 4.087 2.385 5.574 . 0 0 "[ . 1 . 2]" 1
368 1 16 LEU HG 1 71 TYR HE1 5.700 . 5.700 5.100 3.378 5.713 0.013 3 0 "[ . 1 . 2]" 1
369 1 17 ARG H 1 17 ARG HB2 3.860 . 4.860 3.599 3.583 3.613 . 0 0 "[ . 1 . 2]" 1
370 1 17 ARG H 1 17 ARG HB3 3.190 . 4.190 2.570 2.403 2.740 . 0 0 "[ . 1 . 2]" 1
371 1 17 ARG H 1 17 ARG HD2 5.700 . 6.700 4.378 3.757 4.913 . 0 0 "[ . 1 . 2]" 1
372 1 17 ARG H 1 17 ARG HD3 5.700 . 6.700 4.311 3.199 4.823 . 0 0 "[ . 1 . 2]" 1
373 1 17 ARG H 1 17 ARG QG 3.740 . 5.740 2.155 1.961 2.443 . 0 0 "[ . 1 . 2]" 1
374 1 17 ARG H 1 18 GLU QB 4.960 . 6.960 4.587 4.395 4.819 . 0 0 "[ . 1 . 2]" 1
375 1 17 ARG H 1 19 PHE H 4.830 . 5.830 4.408 4.103 4.610 . 0 0 "[ . 1 . 2]" 1
376 1 17 ARG H 1 20 VAL QG 5.150 . 7.150 4.301 3.966 4.560 . 0 0 "[ . 1 . 2]" 1
377 1 17 ARG HA 1 17 ARG HD2 5.700 . 5.700 4.599 4.031 5.333 . 0 0 "[ . 1 . 2]" 1
378 1 17 ARG HA 1 17 ARG HD3 5.700 . 5.700 4.977 3.706 5.517 . 0 0 "[ . 1 . 2]" 1
379 1 17 ARG HA 1 17 ARG HG2 4.200 . 4.200 3.885 3.569 4.240 0.040 14 0 "[ . 1 . 2]" 1
380 1 17 ARG HA 1 17 ARG HG3 4.200 . 4.200 3.707 3.569 4.001 . 0 0 "[ . 1 . 2]" 1
381 1 17 ARG HA 1 19 PHE H 5.030 . 6.030 4.621 4.363 4.955 . 0 0 "[ . 1 . 2]" 1
382 1 17 ARG HA 1 20 VAL H 4.120 . 5.120 3.692 3.491 3.986 . 0 0 "[ . 1 . 2]" 1
383 1 17 ARG HA 1 20 VAL HB 4.700 . 4.700 3.293 3.054 3.513 . 0 0 "[ . 1 . 2]" 1
384 1 17 ARG HA 1 20 VAL QG 3.960 . 4.960 2.694 2.403 3.073 . 0 0 "[ . 1 . 2]" 1
385 1 17 ARG HB2 1 18 GLU H 4.390 . 5.390 3.668 3.536 3.829 . 0 0 "[ . 1 . 2]" 1
386 1 17 ARG HB2 1 20 VAL HB 5.700 . 5.700 4.909 4.605 5.264 . 0 0 "[ . 1 . 2]" 1
387 1 17 ARG QD 1 18 GLU H 4.950 . 6.950 3.640 2.307 4.146 . 0 0 "[ . 1 . 2]" 1
388 1 17 ARG HD2 1 18 GLU H 5.700 . 6.700 4.144 2.436 4.843 . 0 0 "[ . 1 . 2]" 1
389 1 17 ARG HD3 1 18 GLU H 5.700 . 6.700 4.218 2.438 4.847 . 0 0 "[ . 1 . 2]" 1
390 1 17 ARG QG 1 18 GLU H 3.280 . 5.280 1.962 1.849 2.086 . 0 0 "[ . 1 . 2]" 1
391 1 17 ARG QG 1 18 GLU QB 4.280 . 6.280 3.389 2.952 3.621 . 0 0 "[ . 1 . 2]" 1
392 1 17 ARG QG 1 19 PHE H 4.950 . 6.950 4.448 4.333 4.605 . 0 0 "[ . 1 . 2]" 1
393 1 18 GLU H 1 18 GLU QB 2.820 . 4.820 2.225 2.130 2.385 . 0 0 "[ . 1 . 2]" 1
394 1 18 GLU H 1 18 GLU HG2 4.130 . 5.130 3.334 2.383 4.601 . 0 0 "[ . 1 . 2]" 1
395 1 18 GLU H 1 18 GLU QG 3.300 . 5.300 2.925 2.349 4.041 . 0 0 "[ . 1 . 2]" 1
396 1 18 GLU H 1 18 GLU HG3 4.130 . 5.130 3.642 2.598 4.526 . 0 0 "[ . 1 . 2]" 1
397 1 18 GLU H 1 19 PHE H 3.070 . 4.070 2.771 2.679 2.853 . 0 0 "[ . 1 . 2]" 1
398 1 18 GLU H 1 19 PHE HB3 5.350 . 6.350 4.938 4.765 5.099 . 0 0 "[ . 1 . 2]" 1
399 1 18 GLU H 1 20 VAL QG 5.610 . 7.610 4.721 4.540 4.926 . 0 0 "[ . 1 . 2]" 1
400 1 18 GLU H 1 21 THR MG 5.700 . 7.700 6.286 6.028 6.437 . 0 0 "[ . 1 . 2]" 1
401 1 18 GLU HA 1 18 GLU QG 3.680 . 4.680 2.637 2.181 3.429 . 0 0 "[ . 1 . 2]" 1
402 1 18 GLU HA 1 20 VAL H 5.070 . 6.070 4.538 4.435 4.688 . 0 0 "[ . 1 . 2]" 1
403 1 18 GLU HA 1 21 THR H 4.440 . 5.440 3.619 3.456 3.840 . 0 0 "[ . 1 . 2]" 1
404 1 18 GLU HA 1 21 THR MG 4.530 . 5.530 4.263 4.050 4.435 . 0 0 "[ . 1 . 2]" 1
405 1 18 GLU HA 1 22 ALA H 4.190 . 5.190 3.940 3.691 4.157 . 0 0 "[ . 1 . 2]" 1
406 1 18 GLU HA 1 22 ALA MB 4.840 . 5.840 4.366 4.075 4.640 . 0 0 "[ . 1 . 2]" 1
407 1 18 GLU QB 1 19 PHE H 3.740 . 5.740 2.629 2.346 3.476 . 0 0 "[ . 1 . 2]" 1
408 1 18 GLU QB 1 22 ALA H 5.540 . 7.540 4.693 4.465 5.276 . 0 0 "[ . 1 . 2]" 1
409 1 18 GLU QG 1 19 PHE H 3.950 . 5.950 3.818 1.908 4.371 . 0 0 "[ . 1 . 2]" 1
410 1 18 GLU QG 1 22 ALA H 5.520 . 7.520 5.422 4.124 6.188 . 0 0 "[ . 1 . 2]" 1
411 1 18 GLU QG 1 22 ALA MB 4.760 . 6.760 4.719 2.931 5.720 . 0 0 "[ . 1 . 2]" 1
412 1 18 GLU HG2 1 19 PHE H 4.580 . 5.580 4.381 2.061 5.037 . 0 0 "[ . 1 . 2]" 1
413 1 18 GLU HG2 1 22 ALA MB 5.410 . 6.410 5.479 3.558 6.423 0.013 11 0 "[ . 1 . 2]" 1
414 1 18 GLU HG3 1 19 PHE H 4.580 . 5.580 4.325 1.914 5.063 . 0 0 "[ . 1 . 2]" 1
415 1 18 GLU HG3 1 22 ALA MB 5.410 . 6.410 5.350 2.970 6.419 0.009 11 0 "[ . 1 . 2]" 1
416 1 19 PHE H 1 19 PHE HB2 2.700 . 3.700 2.636 2.316 3.473 . 0 0 "[ . 1 . 2]" 1
417 1 19 PHE H 1 20 VAL H 3.170 . 4.170 2.860 2.776 3.047 . 0 0 "[ . 1 . 2]" 1
418 1 19 PHE H 1 20 VAL QG 4.770 . 6.770 4.070 3.917 4.258 . 0 0 "[ . 1 . 2]" 1
419 1 19 PHE H 1 21 THR H 4.970 . 5.970 4.420 4.294 4.559 . 0 0 "[ . 1 . 2]" 1
420 1 19 PHE H 1 22 ALA MB 4.630 . 6.630 4.238 4.143 4.322 . 0 0 "[ . 1 . 2]" 1
421 1 19 PHE HA 1 19 PHE QD 3.000 . 4.400 2.873 2.380 3.492 . 0 0 "[ . 1 . 2]" 1
422 1 19 PHE HA 1 22 ALA H 4.240 . 5.240 3.507 3.327 3.685 . 0 0 "[ . 1 . 2]" 1
423 1 19 PHE HA 1 22 ALA MB 3.400 . 4.400 2.334 2.170 2.552 . 0 0 "[ . 1 . 2]" 1
424 1 19 PHE HA 1 23 LYS H 5.020 . 6.020 4.515 4.292 5.003 . 0 0 "[ . 1 . 2]" 1
425 1 19 PHE HA 1 23 LYS HE2 5.700 . 5.700 4.754 3.813 5.714 0.014 3 0 "[ . 1 . 2]" 1
426 1 19 PHE HB2 1 71 TYR HE1 5.690 . 5.690 3.421 2.284 4.145 . 0 0 "[ . 1 . 2]" 1
427 1 19 PHE HB3 1 20 VAL H 2.820 . 3.820 2.671 2.305 3.555 . 0 0 "[ . 1 . 2]" 1
428 1 19 PHE HB3 1 71 TYR HD1 5.680 . 5.680 4.061 3.335 4.849 . 0 0 "[ . 1 . 2]" 1
429 1 19 PHE HB3 1 71 TYR HE1 4.300 . 4.300 3.394 2.577 4.184 . 0 0 "[ . 1 . 2]" 1
430 1 19 PHE QD 1 20 VAL H 3.960 . 4.960 3.400 3.041 3.818 . 0 0 "[ . 1 . 2]" 1
431 1 19 PHE QD 1 20 VAL HA 4.420 . 4.420 3.312 2.869 3.930 . 0 0 "[ . 1 . 2]" 1
432 1 19 PHE QD 1 20 VAL QG 4.420 . 5.420 2.922 2.638 3.225 . 0 0 "[ . 1 . 2]" 1
433 1 19 PHE QD 1 22 ALA MB 5.440 . 6.440 3.980 3.636 4.306 . 0 0 "[ . 1 . 2]" 1
434 1 19 PHE QD 1 23 LYS H 5.700 . 6.700 5.115 4.580 5.494 . 0 0 "[ . 1 . 2]" 1
435 1 19 PHE QD 1 23 LYS HE2 5.700 . 5.700 4.197 3.462 5.267 . 0 0 "[ . 1 . 2]" 1
436 1 19 PHE QD 1 23 LYS HE3 5.700 . 5.700 4.396 3.376 5.406 . 0 0 "[ . 1 . 2]" 1
437 1 19 PHE QD 1 71 TYR HA 5.000 . 5.000 4.030 3.426 4.671 . 0 0 "[ . 1 . 2]" 1
438 1 19 PHE QD 1 71 TYR HB3 5.700 . 5.700 4.908 4.353 5.278 . 0 0 "[ . 1 . 2]" 1
439 1 19 PHE QD 1 71 TYR HD1 4.930 . 4.930 3.367 2.790 4.641 . 0 0 "[ . 1 . 2]" 1
440 1 19 PHE QD 1 71 TYR HE1 5.100 . 5.100 3.608 2.092 4.685 . 0 0 "[ . 1 . 2]" 1
441 1 19 PHE QD 1 74 ILE HB 4.510 . 4.510 3.539 2.933 4.418 . 0 0 "[ . 1 . 2]" 1
442 1 19 PHE QD 1 74 ILE MD 4.000 . 5.480 4.509 4.166 5.285 . 0 0 "[ . 1 . 2]" 1
443 1 19 PHE QD 1 74 ILE QG 5.570 . 5.570 3.262 2.792 4.279 . 0 0 "[ . 1 . 2]" 1
444 1 19 PHE QD 1 74 ILE MG 4.000 . 4.780 2.855 2.388 3.358 . 0 0 "[ . 1 . 2]" 1
445 1 20 VAL H 1 20 VAL HB 3.040 . 4.040 2.701 2.635 2.777 . 0 0 "[ . 1 . 2]" 1
446 1 20 VAL H 1 20 VAL QG 2.850 . 4.850 2.001 1.906 2.138 . 0 0 "[ . 1 . 2]" 1
447 1 20 VAL H 1 21 THR H 3.190 . 4.190 2.776 2.742 2.832 . 0 0 "[ . 1 . 2]" 1
448 1 20 VAL H 1 22 ALA H 4.520 . 5.520 3.875 3.791 3.932 . 0 0 "[ . 1 . 2]" 1
449 1 20 VAL H 1 22 ALA MB 4.950 . 6.950 4.411 4.243 4.516 . 0 0 "[ . 1 . 2]" 1
450 1 20 VAL H 1 23 LYS H 5.430 . 6.430 5.080 4.932 5.385 . 0 0 "[ . 1 . 2]" 1
451 1 20 VAL H 1 71 TYR HE1 5.700 . 6.700 5.615 4.980 6.535 . 0 0 "[ . 1 . 2]" 1
452 1 20 VAL HA 1 22 ALA H 4.660 . 5.660 4.188 3.928 4.406 . 0 0 "[ . 1 . 2]" 1
453 1 20 VAL HA 1 22 ALA MB 5.040 . 6.040 4.616 4.349 4.737 . 0 0 "[ . 1 . 2]" 1
454 1 20 VAL HA 1 23 LYS H 4.270 . 5.270 3.744 3.633 3.856 . 0 0 "[ . 1 . 2]" 1
455 1 20 VAL HA 1 23 LYS HB2 4.430 . 4.430 3.797 3.380 4.430 . 16 0 "[ . 1 . 2]" 1
456 1 20 VAL HA 1 23 LYS HG3 5.180 . 5.180 3.732 2.821 4.418 . 0 0 "[ . 1 . 2]" 1
457 1 20 VAL HA 1 24 PHE H 4.960 . 5.960 4.559 4.390 4.777 . 0 0 "[ . 1 . 2]" 1
458 1 20 VAL HA 1 24 PHE QD 4.820 . 4.820 4.282 4.114 4.584 . 0 0 "[ . 1 . 2]" 1
459 1 20 VAL HA 1 24 PHE QE 5.700 . 5.700 5.387 5.140 5.667 . 0 0 "[ . 1 . 2]" 1
460 1 20 VAL HA 1 74 ILE MD 4.450 . 5.450 4.109 3.805 4.468 . 0 0 "[ . 1 . 2]" 1
461 1 20 VAL HA 1 74 ILE MG 3.600 . 4.600 2.550 2.223 2.861 . 0 0 "[ . 1 . 2]" 1
462 1 20 VAL HB 1 21 THR H 3.130 . 4.130 2.348 2.184 2.515 . 0 0 "[ . 1 . 2]" 1
463 1 20 VAL HB 1 22 ALA H 5.700 . 6.700 4.669 4.551 4.778 . 0 0 "[ . 1 . 2]" 1
464 1 20 VAL HB 1 24 PHE QD 5.700 . 5.700 4.751 4.645 4.982 . 0 0 "[ . 1 . 2]" 1
465 1 20 VAL HB 1 24 PHE QE 5.700 . 5.700 5.653 5.477 5.710 0.010 19 0 "[ . 1 . 2]" 1
466 1 20 VAL HB 1 39 VAL HB 5.700 . 5.700 5.305 4.820 5.714 0.014 11 0 "[ . 1 . 2]" 1
467 1 20 VAL HB 1 74 ILE QG 5.700 . 5.700 5.443 5.150 5.539 . 0 0 "[ . 1 . 2]" 1
468 1 20 VAL QG 1 21 THR H 4.310 . 5.860 3.149 3.037 3.237 . 0 0 "[ . 1 . 2]" 1
469 1 20 VAL QG 1 21 THR HA 4.190 . 5.190 3.635 3.543 3.771 . 0 0 "[ . 1 . 2]" 1
470 1 20 VAL QG 1 22 ALA H 5.130 . 7.130 4.420 4.293 4.530 . 0 0 "[ . 1 . 2]" 1
471 1 20 VAL QG 1 23 LYS H 5.700 . 7.700 4.449 4.348 4.548 . 0 0 "[ . 1 . 2]" 1
472 1 20 VAL QG 1 24 PHE H 4.890 . 6.890 4.132 3.987 4.235 . 0 0 "[ . 1 . 2]" 1
473 1 20 VAL QG 1 24 PHE QD 3.680 . 4.680 2.570 2.360 2.860 . 0 0 "[ . 1 . 2]" 1
474 1 20 VAL QG 1 24 PHE QE . . 4.570 2.972 2.777 3.172 . 0 0 "[ . 1 . 2]" 1
475 1 20 VAL QG 1 39 VAL HB 4.540 . 5.540 3.057 2.719 3.551 . 0 0 "[ . 1 . 2]" 1
476 1 20 VAL QG 1 39 VAL QG 4.000 . 6.000 2.337 2.010 2.652 . 0 0 "[ . 1 . 2]" 1
477 1 20 VAL QG 1 41 LEU MD1 4.250 . 7.650 3.044 2.738 3.437 . 0 0 "[ . 1 . 2]" 1
478 1 20 VAL QG 1 52 ALA MB 5.330 . 7.330 4.611 4.219 5.035 . 0 0 "[ . 1 . 2]" 1
479 1 20 VAL QG 1 71 TYR HE1 5.700 . 6.700 4.983 4.508 5.791 . 0 0 "[ . 1 . 2]" 1
480 1 20 VAL QG 1 74 ILE MD 3.360 . 5.360 2.325 2.108 2.676 . 0 0 "[ . 1 . 2]" 1
481 1 20 VAL QG 1 74 ILE MG 3.660 . 4.660 2.370 2.000 2.597 . 0 0 "[ . 1 . 2]" 1
482 1 21 THR H 1 22 ALA H 3.260 . 4.260 2.606 2.499 2.665 . 0 0 "[ . 1 . 2]" 1
483 1 21 THR H 1 22 ALA MB 4.860 . 6.860 4.224 4.101 4.333 . 0 0 "[ . 1 . 2]" 1
484 1 21 THR H 1 23 LYS H 4.760 . 5.760 4.444 4.261 4.605 . 0 0 "[ . 1 . 2]" 1
485 1 21 THR H 1 24 PHE H 5.360 . 6.360 5.028 4.917 5.184 . 0 0 "[ . 1 . 2]" 1
486 1 21 THR HA 1 21 THR MG 3.000 . 3.600 2.290 2.142 2.464 . 0 0 "[ . 1 . 2]" 1
487 1 21 THR HA 1 22 ALA H 3.730 . 4.730 3.487 3.455 3.518 . 0 0 "[ . 1 . 2]" 1
488 1 21 THR HA 1 24 PHE H 3.900 . 4.900 3.406 3.119 3.724 . 0 0 "[ . 1 . 2]" 1
489 1 21 THR HA 1 24 PHE HB2 4.490 . 4.490 2.388 1.997 2.794 . 0 0 "[ . 1 . 2]" 1
490 1 21 THR HA 1 24 PHE HB3 4.900 . 4.900 3.772 3.287 4.205 . 0 0 "[ . 1 . 2]" 1
491 1 21 THR HA 1 24 PHE QD 5.680 . 5.680 3.444 3.206 3.735 . 0 0 "[ . 1 . 2]" 1
492 1 21 THR HA 1 25 ALA H 4.730 . 5.730 3.861 3.634 4.271 . 0 0 "[ . 1 . 2]" 1
493 1 21 THR MG 1 22 ALA H 4.000 . 6.000 3.910 3.648 4.098 . 0 0 "[ . 1 . 2]" 1
494 1 21 THR MG 1 22 ALA HA 4.290 . 5.290 4.093 3.730 4.395 . 0 0 "[ . 1 . 2]" 1
495 1 21 THR MG 1 22 ALA MB 4.520 . 6.520 4.694 4.448 4.934 . 0 0 "[ . 1 . 2]" 1
496 1 21 THR MG 1 23 LYS H 5.700 . 7.700 5.247 4.956 5.456 . 0 0 "[ . 1 . 2]" 1
497 1 21 THR MG 1 24 PHE H 5.490 . 7.490 4.666 4.361 5.054 . 0 0 "[ . 1 . 2]" 1
498 1 21 THR MG 1 24 PHE HB2 5.110 . 6.110 3.502 3.149 3.918 . 0 0 "[ . 1 . 2]" 1
499 1 21 THR MG 1 24 PHE QD 5.700 . 6.700 4.753 4.514 5.078 . 0 0 "[ . 1 . 2]" 1
500 1 21 THR MG 1 25 ALA H 4.990 . 6.990 3.705 3.414 4.050 . 0 0 "[ . 1 . 2]" 1
501 1 21 THR MG 1 25 ALA MB 4.000 . 6.000 3.226 2.783 3.702 . 0 0 "[ . 1 . 2]" 1
502 1 22 ALA H 1 22 ALA MB 2.670 . 4.670 2.136 2.043 2.233 . 0 0 "[ . 1 . 2]" 1
503 1 22 ALA H 1 23 LYS H 3.120 . 4.120 2.772 2.728 2.818 . 0 0 "[ . 1 . 2]" 1
504 1 22 ALA H 1 23 LYS HA 5.700 . 6.700 5.363 5.321 5.403 . 0 0 "[ . 1 . 2]" 1
505 1 22 ALA H 1 23 LYS HB2 5.640 . 6.640 5.049 4.789 5.268 . 0 0 "[ . 1 . 2]" 1
506 1 22 ALA H 1 23 LYS HG2 5.130 . 6.130 4.483 4.150 4.968 . 0 0 "[ . 1 . 2]" 1
507 1 22 ALA H 1 24 PHE H 4.770 . 5.770 4.329 4.085 4.499 . 0 0 "[ . 1 . 2]" 1
508 1 22 ALA H 1 25 ALA H 5.260 . 6.260 4.780 4.611 4.894 . 0 0 "[ . 1 . 2]" 1
509 1 22 ALA HA 1 24 PHE H 5.370 . 6.370 4.844 4.647 5.009 . 0 0 "[ . 1 . 2]" 1
510 1 22 ALA HA 1 25 ALA H 4.350 . 5.350 3.837 3.709 4.040 . 0 0 "[ . 1 . 2]" 1
511 1 22 ALA HA 1 25 ALA MB 3.530 . 4.530 2.853 2.537 3.179 . 0 0 "[ . 1 . 2]" 1
512 1 22 ALA MB 1 23 LYS H 2.930 . 4.930 2.529 2.435 2.622 . 0 0 "[ . 1 . 2]" 1
513 1 22 ALA MB 1 23 LYS HA 4.790 . 5.790 3.774 3.696 3.843 . 0 0 "[ . 1 . 2]" 1
514 1 22 ALA MB 1 25 ALA H 5.350 . 7.350 4.807 4.578 4.994 . 0 0 "[ . 1 . 2]" 1
515 1 23 LYS H 1 23 LYS HB2 3.020 . 4.020 2.564 2.322 2.686 . 0 0 "[ . 1 . 2]" 1
516 1 23 LYS H 1 23 LYS HG3 3.390 . 4.390 3.330 2.699 3.785 . 0 0 "[ . 1 . 2]" 1
517 1 23 LYS H 1 24 PHE H 3.090 . 4.090 2.677 2.481 2.884 . 0 0 "[ . 1 . 2]" 1
518 1 23 LYS H 1 24 PHE HA 5.570 . 6.570 5.265 5.117 5.421 . 0 0 "[ . 1 . 2]" 1
519 1 23 LYS H 1 24 PHE HB2 4.940 . 5.940 4.441 4.255 4.675 . 0 0 "[ . 1 . 2]" 1
520 1 23 LYS H 1 24 PHE QD 4.930 . 5.930 4.707 4.420 4.964 . 0 0 "[ . 1 . 2]" 1
521 1 23 LYS H 1 78 ILE MD 5.700 . 7.700 4.846 4.003 5.402 . 0 0 "[ . 1 . 2]" 1
522 1 23 LYS HA 1 23 LYS HD3 3.550 . 3.550 2.411 1.945 3.305 . 0 0 "[ . 1 . 2]" 1
523 1 23 LYS HA 1 23 LYS HE2 4.560 . 4.560 3.899 3.022 4.560 0.000 9 0 "[ . 1 . 2]" 1
524 1 23 LYS HA 1 23 LYS HG3 4.240 . 4.240 3.793 3.685 3.862 . 0 0 "[ . 1 . 2]" 1
525 1 23 LYS HA 1 25 ALA H 5.030 . 6.030 4.381 3.554 4.641 . 0 0 "[ . 1 . 2]" 1
526 1 23 LYS HA 1 26 LYS H 3.950 . 4.950 3.576 3.317 3.693 . 0 0 "[ . 1 . 2]" 1
527 1 23 LYS HA 1 27 LEU H 5.150 . 6.150 4.653 4.398 4.731 . 0 0 "[ . 1 . 2]" 1
528 1 23 LYS HA 1 27 LEU MD1 4.770 . 7.170 3.470 3.027 3.779 . 0 0 "[ . 1 . 2]" 1
529 1 23 LYS HB2 1 24 PHE H 3.420 . 4.420 2.367 2.178 2.532 . 0 0 "[ . 1 . 2]" 1
530 1 23 LYS HB2 1 78 ILE MD 4.210 . 5.210 2.772 2.044 3.289 . 0 0 "[ . 1 . 2]" 1
531 1 23 LYS HB2 1 78 ILE HG13 4.550 . 4.550 3.003 2.382 4.405 . 0 0 "[ . 1 . 2]" 1
532 1 23 LYS HB3 1 24 PHE H 4.090 . 5.090 3.520 3.192 3.765 . 0 0 "[ . 1 . 2]" 1
533 1 23 LYS HB3 1 24 PHE QD 5.700 . 5.700 5.022 4.306 5.419 . 0 0 "[ . 1 . 2]" 1
534 1 23 LYS HD2 1 74 ILE MG 4.350 . 5.350 4.037 2.579 4.871 . 0 0 "[ . 1 . 2]" 1
535 1 23 LYS HD2 1 75 ASP HA 4.830 . 4.830 4.244 3.445 4.848 0.018 18 0 "[ . 1 . 2]" 1
536 1 23 LYS HE2 1 23 LYS HG3 3.850 . 3.850 3.136 2.693 3.686 . 0 0 "[ . 1 . 2]" 1
537 1 23 LYS HE2 1 74 ILE MG 5.700 . 6.700 4.779 4.173 5.630 . 0 0 "[ . 1 . 2]" 1
538 1 23 LYS HE3 1 23 LYS HG3 4.390 . 4.390 3.059 2.559 3.582 . 0 0 "[ . 1 . 2]" 1
539 1 23 LYS HE3 1 74 ILE MG 5.700 . 6.700 4.236 3.246 5.308 . 0 0 "[ . 1 . 2]" 1
540 1 23 LYS HE3 1 75 ASP HA 5.480 . 5.480 4.637 2.890 5.482 0.002 2 0 "[ . 1 . 2]" 1
541 1 23 LYS HG2 1 24 PHE H 4.540 . 5.540 4.160 3.826 4.471 . 0 0 "[ . 1 . 2]" 1
542 1 23 LYS HG3 1 24 PHE H 5.280 . 6.280 4.500 4.084 4.792 . 0 0 "[ . 1 . 2]" 1
543 1 23 LYS HG3 1 74 ILE MG 3.880 . 4.880 2.809 2.300 3.288 . 0 0 "[ . 1 . 2]" 1
544 1 23 LYS HG3 1 78 ILE HG12 5.030 . 5.030 3.811 2.434 4.766 . 0 0 "[ . 1 . 2]" 1
545 1 23 LYS HG3 1 78 ILE HG13 4.150 . 4.150 3.168 2.285 4.199 0.049 3 0 "[ . 1 . 2]" 1
546 1 24 PHE H 1 24 PHE HB2 2.900 . 3.900 2.166 2.125 2.228 . 0 0 "[ . 1 . 2]" 1
547 1 24 PHE H 1 24 PHE HB3 3.760 . 4.760 3.477 3.437 3.521 . 0 0 "[ . 1 . 2]" 1
548 1 24 PHE H 1 24 PHE QD 3.180 . 4.180 2.761 2.453 2.999 . 0 0 "[ . 1 . 2]" 1
549 1 24 PHE H 1 24 PHE QE 5.300 . 6.300 4.902 4.717 5.043 . 0 0 "[ . 1 . 2]" 1
550 1 24 PHE H 1 25 ALA H 3.180 . 4.180 2.838 2.661 2.960 . 0 0 "[ . 1 . 2]" 1
551 1 24 PHE H 1 25 ALA MB 4.860 . 6.860 4.404 4.296 4.496 . 0 0 "[ . 1 . 2]" 1
552 1 24 PHE H 1 26 LYS H 4.940 . 5.940 4.516 4.339 4.687 . 0 0 "[ . 1 . 2]" 1
553 1 24 PHE H 1 27 LEU MD1 5.300 . 8.700 3.951 3.665 4.522 . 0 0 "[ . 1 . 2]" 1
554 1 24 PHE H 1 78 ILE MD 4.750 . 6.750 3.633 2.966 4.099 . 0 0 "[ . 1 . 2]" 1
555 1 24 PHE HA 1 24 PHE QD 4.000 . 4.250 2.900 2.686 3.023 . 0 0 "[ . 1 . 2]" 1
556 1 24 PHE HA 1 24 PHE QE 5.700 . 5.700 4.427 4.352 4.475 . 0 0 "[ . 1 . 2]" 1
557 1 24 PHE HA 1 25 ALA MB 5.350 . 6.350 5.008 4.946 5.027 . 0 0 "[ . 1 . 2]" 1
558 1 24 PHE HA 1 27 LEU H 3.790 . 4.790 3.429 3.314 3.502 . 0 0 "[ . 1 . 2]" 1
559 1 24 PHE HA 1 27 LEU HB2 4.530 . 4.530 2.511 2.313 2.705 . 0 0 "[ . 1 . 2]" 1
560 1 24 PHE HA 1 27 LEU HB3 5.020 . 5.020 4.051 3.691 4.276 . 0 0 "[ . 1 . 2]" 1
561 1 24 PHE HA 1 27 LEU MD1 3.680 . 5.450 2.700 2.070 3.593 . 0 0 "[ . 1 . 2]" 1
562 1 24 PHE HA 1 27 LEU MD2 4.450 . 5.450 3.288 2.801 3.665 . 0 0 "[ . 1 . 2]" 1
563 1 24 PHE HA 1 27 LEU HG 4.990 . 4.990 4.984 4.754 5.022 0.032 11 0 "[ . 1 . 2]" 1
564 1 24 PHE HA 1 78 ILE MD 4.010 . 5.010 3.756 3.272 4.368 . 0 0 "[ . 1 . 2]" 1
565 1 24 PHE QB 1 24 PHE QE 4.000 . 7.400 3.924 3.922 3.927 . 0 0 "[ . 1 . 2]" 1
566 1 24 PHE HB2 1 25 ALA H 3.700 . 4.700 2.893 2.730 3.484 . 0 0 "[ . 1 . 2]" 1
567 1 24 PHE HB3 1 25 ALA H 4.040 . 5.040 3.151 2.937 3.807 . 0 0 "[ . 1 . 2]" 1
568 1 24 PHE HB3 1 27 LEU H 5.700 . 6.700 5.031 4.944 5.337 . 0 0 "[ . 1 . 2]" 1
569 1 24 PHE QD 1 27 LEU MD1 4.820 . 7.220 4.578 4.067 5.195 . 0 0 "[ . 1 . 2]" 1
570 1 24 PHE QD 1 37 VAL MG1 4.000 . 6.590 3.598 3.259 3.928 . 0 0 "[ . 1 . 2]" 1
571 1 24 PHE QD 1 37 VAL MG2 4.000 . 7.400 3.361 2.723 3.932 . 0 0 "[ . 1 . 2]" 1
572 1 24 PHE QD 1 54 LEU MD1 4.000 . 7.400 4.603 3.799 5.484 . 0 0 "[ . 1 . 2]" 1
573 1 24 PHE QD 1 54 LEU MD2 4.000 . 7.400 3.745 2.811 4.966 . 0 0 "[ . 1 . 2]" 1
574 1 24 PHE QD 1 78 ILE MD 4.000 . 5.330 2.870 2.628 3.011 . 0 0 "[ . 1 . 2]" 1
575 1 24 PHE QD 1 78 ILE HG13 5.700 . 5.700 4.765 4.141 5.567 . 0 0 "[ . 1 . 2]" 1
576 1 24 PHE QE 1 37 VAL MG1 4.000 . 5.170 2.039 1.845 2.387 . 0 0 "[ . 1 . 2]" 1
577 1 24 PHE QE 1 37 VAL MG2 4.000 . 7.400 2.689 1.961 3.375 . 0 0 "[ . 1 . 2]" 1
578 1 24 PHE QE 1 39 VAL QG 3.960 . 5.780 2.213 1.912 2.752 . 0 0 "[ . 1 . 2]" 1
579 1 24 PHE QE 1 52 ALA MB 4.330 . 5.330 3.490 2.920 4.077 . 0 0 "[ . 1 . 2]" 1
580 1 24 PHE QE 1 54 LEU MD1 4.000 . 5.450 2.901 2.092 3.997 . 0 0 "[ . 1 . 2]" 1
581 1 24 PHE QE 1 54 LEU MD2 4.000 . 7.400 2.475 1.959 3.747 . 0 0 "[ . 1 . 2]" 1
582 1 24 PHE QE 1 54 LEU HG 5.700 . 5.700 2.472 1.976 3.563 . 0 0 "[ . 1 . 2]" 1
583 1 24 PHE QE 1 74 ILE MD 5.700 . 6.700 5.082 4.800 5.392 . 0 0 "[ . 1 . 2]" 1
584 1 24 PHE QE 1 74 ILE MG 5.380 . 6.380 4.709 4.389 5.008 . 0 0 "[ . 1 . 2]" 1
585 1 24 PHE QE 1 78 ILE HA 5.700 . 5.700 5.412 5.222 5.613 . 0 0 "[ . 1 . 2]" 1
586 1 24 PHE QE 1 78 ILE MD 4.000 . 5.700 2.711 2.469 3.189 . 0 0 "[ . 1 . 2]" 1
587 1 24 PHE QE 1 81 LEU MD1 4.290 . 6.690 4.541 3.833 5.086 . 0 0 "[ . 1 . 2]" 1
588 1 25 ALA H 1 25 ALA MB 2.720 . 4.720 2.144 2.070 2.292 . 0 0 "[ . 1 . 2]" 1
589 1 25 ALA H 1 26 LYS H 3.190 . 4.190 2.860 2.403 2.966 . 0 0 "[ . 1 . 2]" 1
590 1 25 ALA H 1 27 LEU H 4.340 . 5.340 3.934 3.423 4.051 . 0 0 "[ . 1 . 2]" 1
591 1 25 ALA HA 1 27 LEU H 4.500 . 5.500 3.983 3.915 4.066 . 0 0 "[ . 1 . 2]" 1
592 1 25 ALA HA 1 28 GLU H 3.860 . 4.860 3.210 3.093 3.568 . 0 0 "[ . 1 . 2]" 1
593 1 25 ALA HA 1 28 GLU QB 3.570 . 4.570 2.460 2.208 3.644 . 0 0 "[ . 1 . 2]" 1
594 1 25 ALA MB 1 26 LYS H 3.070 . 5.070 2.397 2.264 2.513 . 0 0 "[ . 1 . 2]" 1
595 1 25 ALA MB 1 26 LYS HB2 4.640 . 5.640 3.918 3.777 4.114 . 0 0 "[ . 1 . 2]" 1
596 1 25 ALA MB 1 27 LEU H 4.640 . 6.640 4.199 4.073 4.259 . 0 0 "[ . 1 . 2]" 1
597 1 25 ALA MB 1 28 GLU H 4.550 . 6.550 4.330 4.245 4.705 . 0 0 "[ . 1 . 2]" 1
598 1 26 LYS H 1 26 LYS HB2 2.900 . 3.900 2.184 2.065 2.436 . 0 0 "[ . 1 . 2]" 1
599 1 26 LYS H 1 26 LYS HB3 3.090 . 4.090 2.998 2.625 3.457 . 0 0 "[ . 1 . 2]" 1
600 1 26 LYS H 1 27 LEU H 3.070 . 4.070 2.699 2.569 2.754 . 0 0 "[ . 1 . 2]" 1
601 1 26 LYS H 1 27 LEU MD1 4.360 . 7.760 3.763 3.576 3.927 . 0 0 "[ . 1 . 2]" 1
602 1 26 LYS HA 1 26 LYS QD 3.770 . 4.770 3.558 2.451 4.163 . 0 0 "[ . 1 . 2]" 1
603 1 26 LYS HA 1 26 LYS HE2 5.700 . 5.700 4.546 2.167 5.508 . 0 0 "[ . 1 . 2]" 1
604 1 26 LYS HA 1 26 LYS QE 5.040 . 6.040 3.917 2.141 4.690 . 0 0 "[ . 1 . 2]" 1
605 1 26 LYS HA 1 26 LYS HE3 5.700 . 5.700 4.447 2.786 5.638 . 0 0 "[ . 1 . 2]" 1
606 1 26 LYS HA 1 26 LYS HG2 3.670 . 3.670 2.212 2.061 2.688 . 0 0 "[ . 1 . 2]" 1
607 1 26 LYS HA 1 28 GLU H 4.430 . 5.430 4.211 4.052 4.593 . 0 0 "[ . 1 . 2]" 1
608 1 26 LYS HB2 1 26 LYS HE2 5.700 . 5.700 4.074 3.273 5.272 . 0 0 "[ . 1 . 2]" 1
609 1 26 LYS HB2 1 26 LYS HE3 5.700 . 5.700 4.322 2.931 4.991 . 0 0 "[ . 1 . 2]" 1
610 1 26 LYS HB2 1 27 LEU MD1 4.340 . 6.740 3.703 3.170 4.034 . 0 0 "[ . 1 . 2]" 1
611 1 26 LYS HB3 1 26 LYS HE2 4.470 . 4.470 3.060 2.046 4.258 . 0 0 "[ . 1 . 2]" 1
612 1 26 LYS HB3 1 26 LYS QE 3.850 . 4.850 2.667 1.988 3.811 . 0 0 "[ . 1 . 2]" 1
613 1 26 LYS HB3 1 26 LYS HE3 4.470 . 4.470 3.317 2.002 4.432 . 0 0 "[ . 1 . 2]" 1
614 1 26 LYS HB3 1 27 LEU H 3.400 . 4.400 3.076 2.903 3.585 . 0 0 "[ . 1 . 2]" 1
615 1 26 LYS HB3 1 27 LEU HA 4.780 . 4.780 4.110 4.023 4.346 . 0 0 "[ . 1 . 2]" 1
616 1 26 LYS HB3 1 27 LEU MD1 4.230 . 6.630 2.596 2.314 3.202 . 0 0 "[ . 1 . 2]" 1
617 1 26 LYS QD 1 27 LEU HA 5.090 . 6.090 4.457 3.174 5.875 . 0 0 "[ . 1 . 2]" 1
618 1 26 LYS QD 1 27 LEU MD1 4.810 . 8.210 3.585 2.389 4.608 . 0 0 "[ . 1 . 2]" 1
619 1 26 LYS QD 1 29 GLN HB2 5.540 . 6.540 5.488 3.856 6.456 . 0 0 "[ . 1 . 2]" 1
620 1 26 LYS QD 1 29 GLN HB3 5.300 . 6.300 5.179 3.954 6.306 0.006 13 0 "[ . 1 . 2]" 1
621 1 26 LYS QE 1 27 LEU H 5.540 . 7.540 4.863 4.058 5.614 . 0 0 "[ . 1 . 2]" 1
622 1 26 LYS QE 1 27 LEU HA 4.760 . 5.760 4.509 3.310 5.201 . 0 0 "[ . 1 . 2]" 1
623 1 26 LYS QE 1 27 LEU MD1 4.180 . 7.580 3.732 2.301 4.966 . 0 0 "[ . 1 . 2]" 1
624 1 26 LYS QE 1 30 TYR HE1 5.540 . 6.540 5.685 4.446 6.535 . 0 0 "[ . 1 . 2]" 1
625 1 26 LYS HG2 1 29 GLN HB2 5.660 . 5.660 4.783 4.575 5.401 . 0 0 "[ . 1 . 2]" 1
626 1 26 LYS HG3 1 27 LEU MD1 4.960 . 7.360 4.863 4.300 5.244 . 0 0 "[ . 1 . 2]" 1
627 1 27 LEU H 1 27 LEU HB2 3.220 . 4.220 2.233 2.214 2.265 . 0 0 "[ . 1 . 2]" 1
628 1 27 LEU H 1 27 LEU MD1 3.390 . 6.790 2.297 2.111 2.471 . 0 0 "[ . 1 . 2]" 1
629 1 27 LEU H 1 27 LEU HG 3.560 . 4.560 3.889 3.626 4.181 . 0 0 "[ . 1 . 2]" 1
630 1 27 LEU H 1 28 GLU H 3.020 . 4.020 2.340 2.292 2.405 . 0 0 "[ . 1 . 2]" 1
631 1 27 LEU H 1 28 GLU QG 5.540 . 7.540 5.149 3.685 6.021 . 0 0 "[ . 1 . 2]" 1
632 1 27 LEU H 1 78 ILE MD 5.700 . 7.700 6.083 5.219 6.516 . 0 0 "[ . 1 . 2]" 1
633 1 27 LEU HA 1 27 LEU MD1 3.000 . 4.000 2.806 2.386 3.152 . 0 0 "[ . 1 . 2]" 1
634 1 27 LEU HA 1 27 LEU MD2 4.000 . 5.000 3.671 3.508 3.802 . 0 0 "[ . 1 . 2]" 1
635 1 27 LEU HA 1 29 GLN HB3 4.470 . 4.470 4.399 4.274 4.473 0.003 2 0 "[ . 1 . 2]" 1
636 1 27 LEU HA 1 30 TYR H 4.270 . 5.270 3.698 3.556 3.823 . 0 0 "[ . 1 . 2]" 1
637 1 27 LEU HA 1 30 TYR HD1 4.100 . 4.100 3.831 3.609 3.930 . 0 0 "[ . 1 . 2]" 1
638 1 27 LEU HA 1 30 TYR HE1 4.360 . 4.360 2.494 2.050 2.727 . 0 0 "[ . 1 . 2]" 1
639 1 27 LEU HA 1 31 PHE H 4.640 . 5.640 4.236 3.808 4.811 . 0 0 "[ . 1 . 2]" 1
640 1 27 LEU QB 1 27 LEU MD1 3.000 . 5.000 2.238 2.054 2.390 . 0 0 "[ . 1 . 2]" 1
641 1 27 LEU QB 1 27 LEU MD2 3.000 . 5.000 2.023 1.948 2.099 . 0 0 "[ . 1 . 2]" 1
642 1 27 LEU HB2 1 28 GLU H 3.690 . 4.690 2.984 2.742 3.152 . 0 0 "[ . 1 . 2]" 1
643 1 27 LEU HB2 1 30 TYR HE1 5.120 . 5.120 4.344 3.905 4.710 . 0 0 "[ . 1 . 2]" 1
644 1 27 LEU HB2 1 78 ILE MD 5.110 . 6.110 5.101 4.401 5.530 . 0 0 "[ . 1 . 2]" 1
645 1 27 LEU HB3 1 27 LEU MD1 3.070 . 4.500 3.169 3.114 3.197 . 0 0 "[ . 1 . 2]" 1
646 1 27 LEU HB3 1 30 TYR HD1 4.950 . 4.950 4.446 4.129 4.797 . 0 0 "[ . 1 . 2]" 1
647 1 27 LEU HB3 1 30 TYR HE1 4.830 . 4.830 3.085 2.606 3.510 . 0 0 "[ . 1 . 2]" 1
648 1 27 LEU HB3 1 31 PHE H 5.000 . 6.000 4.612 4.148 5.140 . 0 0 "[ . 1 . 2]" 1
649 1 27 LEU HB3 1 31 PHE HD1 5.700 . 5.700 5.700 5.278 5.775 0.075 15 0 "[ . 1 . 2]" 1
650 1 27 LEU MD1 1 28 GLU H 4.550 . 7.950 4.117 4.057 4.200 . 0 0 "[ . 1 . 2]" 1
651 1 27 LEU MD1 1 30 TYR H 5.520 . 8.920 5.932 5.524 6.234 . 0 0 "[ . 1 . 2]" 1
652 1 27 LEU MD1 1 30 TYR HD1 5.390 . 7.790 5.696 5.319 5.957 . 0 0 "[ . 1 . 2]" 1
653 1 27 LEU MD1 1 30 TYR QD 4.000 . 7.400 5.330 4.935 5.565 . 0 0 "[ . 1 . 2]" 1
654 1 27 LEU MD1 1 30 TYR HE1 3.680 . 5.290 3.849 3.421 4.139 . 0 0 "[ . 1 . 2]" 1
655 1 27 LEU MD1 1 78 ILE HA 5.250 . 7.650 4.941 4.271 5.800 . 0 0 "[ . 1 . 2]" 1
656 1 27 LEU MD1 1 78 ILE MD 4.000 . 5.400 3.557 2.859 3.888 . 0 0 "[ . 1 . 2]" 1
657 1 27 LEU MD1 1 78 ILE HG12 4.620 . 7.020 5.097 3.376 5.766 . 0 0 "[ . 1 . 2]" 1
658 1 27 LEU MD1 1 82 ALA HA 3.970 . 6.370 4.636 4.318 5.033 . 0 0 "[ . 1 . 2]" 1
659 1 27 LEU MD1 1 82 ALA MB 4.000 . 6.000 3.102 2.710 3.502 . 0 0 "[ . 1 . 2]" 1
660 1 27 LEU MD2 1 30 TYR HE1 4.290 . 5.290 3.209 2.954 3.733 . 0 0 "[ . 1 . 2]" 1
661 1 27 LEU MD2 1 78 ILE MD 4.000 . 6.000 3.259 2.470 3.756 . 0 0 "[ . 1 . 2]" 1
662 1 27 LEU HG 1 30 TYR HE1 5.330 . 5.330 2.270 1.996 2.486 . 0 0 "[ . 1 . 2]" 1
663 1 27 LEU HG 1 78 ILE MD 5.290 . 6.290 5.710 5.152 6.113 . 0 0 "[ . 1 . 2]" 1
664 1 28 GLU H 1 28 GLU QB 2.800 . 4.800 2.152 2.030 2.438 . 0 0 "[ . 1 . 2]" 1
665 1 28 GLU H 1 28 GLU QG 3.490 . 5.490 3.329 2.356 4.046 . 0 0 "[ . 1 . 2]" 1
666 1 28 GLU H 1 29 GLN H 3.360 . 4.360 2.698 2.604 2.775 . 0 0 "[ . 1 . 2]" 1
667 1 28 GLU H 1 29 GLN HA 5.430 . 6.430 5.191 5.125 5.269 . 0 0 "[ . 1 . 2]" 1
668 1 28 GLU H 1 31 PHE H 4.990 . 5.990 4.778 4.666 4.931 . 0 0 "[ . 1 . 2]" 1
669 1 28 GLU HA 1 30 TYR H 4.850 . 5.850 4.672 4.329 4.919 . 0 0 "[ . 1 . 2]" 1
670 1 28 GLU HA 1 31 PHE H 4.020 . 5.020 3.409 3.083 3.665 . 0 0 "[ . 1 . 2]" 1
671 1 28 GLU QG 1 29 GLN H 5.540 . 7.540 4.435 2.547 4.726 . 0 0 "[ . 1 . 2]" 1
672 1 29 GLN H 1 29 GLN HB2 3.950 . 4.950 2.515 2.414 2.601 . 0 0 "[ . 1 . 2]" 1
673 1 29 GLN H 1 29 GLN HB3 3.650 . 4.650 2.552 2.475 2.658 . 0 0 "[ . 1 . 2]" 1
674 1 29 GLN HA 1 29 GLN HG2 4.400 . 4.400 3.051 2.320 3.810 . 0 0 "[ . 1 . 2]" 1
675 1 29 GLN HA 1 29 GLN QG 3.620 . 4.620 2.440 2.290 2.808 . 0 0 "[ . 1 . 2]" 1
676 1 29 GLN HA 1 29 GLN HG3 4.400 . 4.400 2.825 2.360 3.543 . 0 0 "[ . 1 . 2]" 1
677 1 29 GLN HA 1 31 PHE H 5.220 . 6.220 4.412 4.022 4.785 . 0 0 "[ . 1 . 2]" 1
678 1 29 GLN HB3 1 30 TYR H 4.070 . 5.070 2.284 2.164 2.489 . 0 0 "[ . 1 . 2]" 1
679 1 29 GLN HB3 1 31 PHE H 4.630 . 5.630 4.417 4.335 4.553 . 0 0 "[ . 1 . 2]" 1
680 1 29 GLN QG 1 30 TYR H 4.120 . 6.120 3.590 3.200 4.085 . 0 0 "[ . 1 . 2]" 1
681 1 29 GLN QG 1 30 TYR HB3 4.590 . 5.590 4.306 3.902 5.141 . 0 0 "[ . 1 . 2]" 1
682 1 30 TYR H 1 30 TYR HB2 3.790 . 4.790 3.580 3.545 3.644 . 0 0 "[ . 1 . 2]" 1
683 1 30 TYR H 1 30 TYR HB3 3.620 . 4.620 3.137 3.051 3.208 . 0 0 "[ . 1 . 2]" 1
684 1 30 TYR H 1 30 TYR HD1 3.510 . 4.510 3.182 2.314 3.688 . 0 0 "[ . 1 . 2]" 1
685 1 30 TYR HA 1 30 TYR HD1 4.460 . 4.460 4.116 3.756 4.398 . 0 0 "[ . 1 . 2]" 1
686 1 30 TYR HA 1 30 TYR QD 3.000 . 5.000 3.692 3.595 3.722 . 0 0 "[ . 1 . 2]" 1
687 1 30 TYR HA 1 30 TYR QE 4.000 . 6.000 5.611 5.599 5.636 . 0 0 "[ . 1 . 2]" 1
688 1 30 TYR QB 1 30 TYR QE 4.000 . 7.400 3.942 3.934 3.967 . 0 0 "[ . 1 . 2]" 1
689 1 30 TYR HB2 1 30 TYR HE1 5.120 . 5.120 4.807 4.695 5.026 . 0 0 "[ . 1 . 2]" 1
690 1 30 TYR HB2 1 31 PHE H 4.340 . 5.340 3.921 3.643 4.211 . 0 0 "[ . 1 . 2]" 1
691 1 30 TYR HB2 1 31 PHE HD1 5.700 . 5.700 3.882 2.477 4.956 . 0 0 "[ . 1 . 2]" 1
692 1 30 TYR HB2 1 86 THR MG 5.010 . 6.010 4.347 3.577 5.423 . 0 0 "[ . 1 . 2]" 1
693 1 30 TYR QD 1 82 ALA MB 4.000 . 7.400 5.282 5.046 5.495 . 0 0 "[ . 1 . 2]" 1
694 1 30 TYR HD1 1 31 PHE H 4.030 . 5.030 2.779 2.246 3.360 . 0 0 "[ . 1 . 2]" 1
695 1 30 TYR HD1 1 85 LEU MD1 5.640 . 8.040 5.981 5.682 6.286 . 0 0 "[ . 1 . 2]" 1
696 1 30 TYR HD1 1 86 THR MG 5.700 . 6.700 4.465 3.370 5.460 . 0 0 "[ . 1 . 2]" 1
697 1 30 TYR QE 1 82 ALA MB 4.000 . 7.400 3.564 3.237 3.872 . 0 0 "[ . 1 . 2]" 1
698 1 30 TYR HE1 1 31 PHE HB3 5.360 . 5.360 5.230 4.910 5.380 0.020 16 0 "[ . 1 . 2]" 1
699 1 30 TYR HE1 1 31 PHE HD1 5.700 . 5.700 4.618 4.162 5.523 . 0 0 "[ . 1 . 2]" 1
700 1 30 TYR HE1 1 82 ALA HA 5.640 . 5.640 4.434 4.183 4.770 . 0 0 "[ . 1 . 2]" 1
701 1 30 TYR HE1 1 82 ALA MB 4.930 . 5.930 3.613 3.251 3.994 . 0 0 "[ . 1 . 2]" 1
702 1 30 TYR HE1 1 85 LEU HB2 5.700 . 5.700 5.048 4.829 5.480 . 0 0 "[ . 1 . 2]" 1
703 1 30 TYR HE1 1 86 THR MG 5.700 . 6.700 4.960 3.365 6.337 . 0 0 "[ . 1 . 2]" 1
704 1 31 PHE H 1 31 PHE HB2 3.270 . 4.270 2.470 2.358 2.578 . 0 0 "[ . 1 . 2]" 1
705 1 31 PHE H 1 31 PHE HB3 4.020 . 5.020 3.669 3.604 3.733 . 0 0 "[ . 1 . 2]" 1
706 1 31 PHE H 1 31 PHE HD1 3.870 . 4.870 3.765 3.039 4.544 . 0 0 "[ . 1 . 2]" 1
707 1 31 PHE H 1 32 ASP H 4.640 . 5.640 4.345 4.217 4.477 . 0 0 "[ . 1 . 2]" 1
708 1 31 PHE HA 1 31 PHE HD1 3.950 . 3.950 1.933 1.807 2.652 . 0 0 "[ . 1 . 2]" 1
709 1 31 PHE HA 1 31 PHE QD 3.000 . 5.000 1.930 1.806 2.618 . 0 0 "[ . 1 . 2]" 1
710 1 31 PHE HA 1 32 ASP H 3.180 . 4.180 2.135 2.129 2.152 . 0 0 "[ . 1 . 2]" 1
711 1 31 PHE HA 1 32 ASP HA 4.720 . 4.720 4.387 4.381 4.389 . 0 0 "[ . 1 . 2]" 1
712 1 31 PHE HA 1 33 ARG H 4.770 . 5.770 3.563 3.415 3.765 . 0 0 "[ . 1 . 2]" 1
713 1 31 PHE HA 1 34 ILE H 5.700 . 6.700 6.530 6.075 6.715 0.015 19 0 "[ . 1 . 2]" 1
714 1 31 PHE HA 1 34 ILE MD 4.750 . 5.750 4.003 3.471 4.878 . 0 0 "[ . 1 . 2]" 1
715 1 31 PHE HA 1 89 LYS QD 4.820 . 5.820 3.606 1.972 5.675 . 0 0 "[ . 1 . 2]" 1
716 1 31 PHE HB2 1 32 ASP H 4.660 . 5.660 4.363 4.260 4.456 . 0 0 "[ . 1 . 2]" 1
717 1 31 PHE HB2 1 33 ARG H 5.700 . 6.700 5.016 4.382 5.362 . 0 0 "[ . 1 . 2]" 1
718 1 31 PHE HB2 1 34 ILE MD 4.610 . 5.610 2.297 2.002 3.483 . 0 0 "[ . 1 . 2]" 1
719 1 31 PHE HB3 1 32 ASP H 4.080 . 5.080 3.480 3.303 3.519 . 0 0 "[ . 1 . 2]" 1
720 1 31 PHE HB3 1 34 ILE MD 4.600 . 5.600 2.177 1.830 3.189 . 0 0 "[ . 1 . 2]" 1
721 1 31 PHE HB3 1 85 LEU MD1 4.040 . 6.440 3.836 2.892 4.719 . 0 0 "[ . 1 . 2]" 1
722 1 31 PHE QD 1 34 ILE MD 4.000 . 7.400 3.112 2.572 4.379 . 0 0 "[ . 1 . 2]" 1
723 1 31 PHE QD 1 82 ALA MB 4.000 . 7.400 4.691 3.946 5.597 . 0 0 "[ . 1 . 2]" 1
724 1 31 PHE QD 1 85 LEU MD1 4.000 . 7.400 3.484 2.182 3.881 . 0 0 "[ . 1 . 2]" 1
725 1 31 PHE HD1 1 32 ASP H 4.190 . 5.190 3.826 3.452 4.779 . 0 0 "[ . 1 . 2]" 1
726 1 31 PHE HD1 1 33 ARG QG 5.540 . 6.540 5.324 4.406 6.208 . 0 0 "[ . 1 . 2]" 1
727 1 31 PHE HD1 1 34 ILE MD 5.160 . 6.160 4.814 4.402 5.889 . 0 0 "[ . 1 . 2]" 1
728 1 31 PHE HD1 1 85 LEU MD1 4.460 . 6.860 4.753 3.780 5.697 . 0 0 "[ . 1 . 2]" 1
729 1 31 PHE HD1 1 89 LYS QD 4.550 . 5.550 3.048 1.841 4.774 . 0 0 "[ . 1 . 2]" 1
730 1 31 PHE HD1 1 89 LYS QG 5.540 . 6.540 3.124 1.952 4.555 . 0 0 "[ . 1 . 2]" 1
731 1 32 ASP H 1 32 ASP QB 3.430 . 5.430 2.446 2.279 2.927 . 0 0 "[ . 1 . 2]" 1
732 1 32 ASP H 1 33 ARG H 3.710 . 4.710 2.085 2.000 2.271 . 0 0 "[ . 1 . 2]" 1
733 1 32 ASP H 1 33 ARG QG 4.840 . 6.840 3.268 2.891 4.048 . 0 0 "[ . 1 . 2]" 1
734 1 32 ASP HA 1 33 ARG H 3.750 . 4.750 3.410 3.233 3.495 . 0 0 "[ . 1 . 2]" 1
735 1 32 ASP HA 1 33 ARG QG 4.880 . 5.880 4.864 4.630 5.093 . 0 0 "[ . 1 . 2]" 1
736 1 32 ASP HB2 1 33 ARG H 5.570 . 6.570 3.583 2.913 4.237 . 0 0 "[ . 1 . 2]" 1
737 1 32 ASP HB3 1 33 ARG H 5.570 . 6.570 3.687 2.892 4.207 . 0 0 "[ . 1 . 2]" 1
738 1 33 ARG H 1 33 ARG HB2 4.090 . 5.090 2.679 2.621 2.754 . 0 0 "[ . 1 . 2]" 1
739 1 33 ARG H 1 33 ARG QD 5.540 . 7.540 3.590 2.115 4.191 . 0 0 "[ . 1 . 2]" 1
740 1 33 ARG H 1 33 ARG HG2 3.810 . 4.810 2.610 1.959 4.115 . 0 0 "[ . 1 . 2]" 1
741 1 33 ARG H 1 33 ARG HG3 3.810 . 4.810 2.924 1.980 3.695 . 0 0 "[ . 1 . 2]" 1
742 1 33 ARG H 1 34 ILE H 3.710 . 4.710 3.664 3.291 3.905 . 0 0 "[ . 1 . 2]" 1
743 1 33 ARG H 1 34 ILE HB 5.200 . 6.200 5.303 4.907 5.510 . 0 0 "[ . 1 . 2]" 1
744 1 33 ARG H 1 34 ILE HG13 4.730 . 5.730 3.469 2.945 4.099 . 0 0 "[ . 1 . 2]" 1
745 1 33 ARG HA 1 33 ARG QD 4.270 . 5.270 3.168 1.982 4.172 . 0 0 "[ . 1 . 2]" 1
746 1 33 ARG HA 1 33 ARG QG 3.820 . 4.820 2.796 2.508 3.157 . 0 0 "[ . 1 . 2]" 1
747 1 33 ARG HA 1 34 ILE H 3.500 . 4.500 2.494 2.368 2.704 . 0 0 "[ . 1 . 2]" 1
748 1 33 ARG HB2 1 34 ILE H 4.360 . 5.360 4.382 4.278 4.413 . 0 0 "[ . 1 . 2]" 1
749 1 33 ARG HB2 1 34 ILE HA 4.730 . 4.730 4.750 4.680 4.775 0.045 1 0 "[ . 1 . 2]" 1
750 1 33 ARG HB2 1 34 ILE MD 5.590 . 6.590 4.882 3.397 5.293 . 0 0 "[ . 1 . 2]" 1
751 1 33 ARG HB2 1 34 ILE HG13 4.270 . 4.270 3.991 3.583 4.229 . 0 0 "[ . 1 . 2]" 1
752 1 33 ARG HB2 1 56 VAL MG1 4.740 . 7.140 2.832 1.954 4.705 . 0 0 "[ . 1 . 2]" 1
753 1 33 ARG HB3 1 33 ARG QD 3.580 . 4.580 2.411 1.946 3.254 . 0 0 "[ . 1 . 2]" 1
754 1 33 ARG HB3 1 56 VAL MG1 5.340 . 7.740 2.642 1.887 4.281 . 0 0 "[ . 1 . 2]" 1
755 1 33 ARG QG 1 34 ILE H 5.250 . 7.250 4.644 4.490 4.926 . 0 0 "[ . 1 . 2]" 1
756 1 33 ARG QG 1 56 VAL MG1 4.210 . 7.610 3.452 2.426 4.930 . 0 0 "[ . 1 . 2]" 1
757 1 34 ILE H 1 34 ILE HB 3.210 . 4.210 2.887 2.781 2.940 . 0 0 "[ . 1 . 2]" 1
758 1 34 ILE H 1 34 ILE MD 3.910 . 5.910 3.830 2.775 4.227 . 0 0 "[ . 1 . 2]" 1
759 1 34 ILE H 1 34 ILE HG12 4.670 . 5.670 4.131 3.970 4.525 . 0 0 "[ . 1 . 2]" 1
760 1 34 ILE H 1 34 ILE HG13 3.580 . 4.580 2.944 2.799 3.424 . 0 0 "[ . 1 . 2]" 1
761 1 34 ILE H 1 35 ASN H 4.970 . 5.970 4.087 3.937 4.259 . 0 0 "[ . 1 . 2]" 1
762 1 34 ILE H 1 35 ASN HA 5.700 . 6.700 4.698 4.622 4.819 . 0 0 "[ . 1 . 2]" 1
763 1 34 ILE H 1 56 VAL HA 5.700 . 6.700 5.539 4.812 6.678 . 0 0 "[ . 1 . 2]" 1
764 1 34 ILE HA 1 34 ILE MD 4.000 . 5.000 3.854 3.590 3.927 . 0 0 "[ . 1 . 2]" 1
765 1 34 ILE HA 1 34 ILE HG12 4.410 . 4.410 2.841 2.626 3.475 . 0 0 "[ . 1 . 2]" 1
766 1 34 ILE HA 1 35 ASN H 2.820 . 3.820 2.153 2.146 2.175 . 0 0 "[ . 1 . 2]" 1
767 1 34 ILE HA 1 35 ASN HA 4.760 . 4.760 4.397 4.393 4.405 . 0 0 "[ . 1 . 2]" 1
768 1 34 ILE HA 1 36 GLN H 4.780 . 5.780 4.298 4.153 4.480 . 0 0 "[ . 1 . 2]" 1
769 1 34 ILE HA 1 54 LEU MD2 5.040 . 6.040 4.639 3.275 5.904 . 0 0 "[ . 1 . 2]" 1
770 1 34 ILE HB 1 35 ASN H 4.280 . 5.280 4.236 4.131 4.372 . 0 0 "[ . 1 . 2]" 1
771 1 34 ILE MD 1 35 ASN H 5.640 . 7.640 5.320 5.177 5.466 . 0 0 "[ . 1 . 2]" 1
772 1 34 ILE MD 1 37 VAL MG1 5.210 . 7.210 4.851 3.734 5.948 . 0 0 "[ . 1 . 2]" 1
773 1 34 ILE MD 1 85 LEU MD1 3.230 . 6.630 3.864 3.231 4.394 . 0 0 "[ . 1 . 2]" 1
774 1 34 ILE HG12 1 35 ASN H 5.400 . 6.400 4.827 4.621 5.453 . 0 0 "[ . 1 . 2]" 1
775 1 34 ILE HG12 1 55 HIS H 4.740 . 5.740 5.294 4.886 5.746 0.006 8 0 "[ . 1 . 2]" 1
776 1 34 ILE HG13 1 85 LEU MD1 3.350 . 5.750 4.372 3.495 4.694 . 0 0 "[ . 1 . 2]" 1
777 1 34 ILE MG 1 35 ASN H 3.180 . 5.180 2.817 2.586 3.058 . 0 0 "[ . 1 . 2]" 1
778 1 34 ILE MG 1 36 GLN H 3.600 . 5.600 3.933 3.747 4.285 . 0 0 "[ . 1 . 2]" 1
779 1 34 ILE MG 1 36 GLN HA 5.390 . 6.390 4.540 4.353 4.810 . 0 0 "[ . 1 . 2]" 1
780 1 34 ILE MG 1 37 VAL MG1 4.470 . 6.470 3.199 2.146 4.002 . 0 0 "[ . 1 . 2]" 1
781 1 34 ILE MG 1 54 LEU HA 4.250 . 5.250 4.425 3.951 4.925 . 0 0 "[ . 1 . 2]" 1
782 1 34 ILE MG 1 54 LEU HB3 4.100 . 5.100 4.216 3.551 4.617 . 0 0 "[ . 1 . 2]" 1
783 1 34 ILE MG 1 54 LEU MD2 2.940 . 4.940 3.254 2.144 4.487 . 0 0 "[ . 1 . 2]" 1
784 1 34 ILE MG 1 55 HIS H 3.950 . 5.950 3.850 3.518 4.246 . 0 0 "[ . 1 . 2]" 1
785 1 35 ASN H 1 35 ASN HB2 3.860 . 4.860 3.662 3.619 3.716 . 0 0 "[ . 1 . 2]" 1
786 1 35 ASN H 1 35 ASN HB3 3.540 . 4.540 3.317 3.198 3.399 . 0 0 "[ . 1 . 2]" 1
787 1 35 ASN H 1 36 GLN H 3.350 . 4.350 2.316 2.232 2.437 . 0 0 "[ . 1 . 2]" 1
788 1 35 ASN H 1 55 HIS H 4.620 . 5.620 3.938 3.653 4.374 . 0 0 "[ . 1 . 2]" 1
789 1 35 ASN H 1 55 HIS HB3 4.780 . 5.780 3.932 3.513 4.352 . 0 0 "[ . 1 . 2]" 1
790 1 35 ASN HB2 1 36 GLN H 3.400 . 4.400 3.035 2.807 3.218 . 0 0 "[ . 1 . 2]" 1
791 1 35 ASN HB2 1 55 HIS HB2 5.220 . 5.220 4.801 4.638 4.942 . 0 0 "[ . 1 . 2]" 1
792 1 35 ASN HB2 1 55 HIS HB3 5.690 . 5.690 4.955 4.558 5.410 . 0 0 "[ . 1 . 2]" 1
793 1 35 ASN HB3 1 55 HIS HB2 5.330 . 5.330 5.230 5.047 5.351 0.021 16 0 "[ . 1 . 2]" 1
794 1 36 GLN H 1 36 GLN HB2 3.260 . 4.260 3.046 2.642 3.162 . 0 0 "[ . 1 . 2]" 1
795 1 36 GLN H 1 36 GLN QG 4.750 . 6.750 4.112 4.050 4.257 . 0 0 "[ . 1 . 2]" 1
796 1 36 GLN H 1 37 VAL H 4.600 . 5.600 4.206 4.184 4.277 . 0 0 "[ . 1 . 2]" 1
797 1 36 GLN H 1 55 HIS H 5.000 . 5.000 3.923 3.590 4.264 . 0 0 "[ . 1 . 2]" 1
798 1 36 GLN H 1 55 HIS HB2 3.510 . 4.510 2.299 2.056 2.553 . 0 0 "[ . 1 . 2]" 1
799 1 36 GLN H 1 55 HIS HB3 3.760 . 4.760 3.418 2.957 3.854 . 0 0 "[ . 1 . 2]" 1
800 1 36 GLN HA 1 36 GLN HG2 4.320 . 4.320 3.614 3.159 3.780 . 0 0 "[ . 1 . 2]" 1
801 1 36 GLN HA 1 36 GLN HG3 4.320 . 4.320 2.472 2.330 2.721 . 0 0 "[ . 1 . 2]" 1
802 1 36 GLN HA 1 37 VAL H 2.720 . 3.720 2.142 2.132 2.154 . 0 0 "[ . 1 . 2]" 1
803 1 36 GLN HA 1 37 VAL HA 4.900 . 4.900 4.392 4.389 4.399 . 0 0 "[ . 1 . 2]" 1
804 1 36 GLN HA 1 37 VAL MG2 5.560 . 6.560 3.486 3.295 3.722 . 0 0 "[ . 1 . 2]" 1
805 1 36 GLN HA 1 38 TYR HE1 5.700 . 5.700 5.685 5.616 5.710 0.010 15 0 "[ . 1 . 2]" 1
806 1 36 GLN HA 1 55 HIS HD2 5.700 . 5.700 5.685 5.397 5.710 0.010 4 0 "[ . 1 . 2]" 1
807 1 36 GLN HB2 1 38 TYR HD1 5.440 . 5.440 5.457 5.405 5.492 0.052 13 0 "[ . 1 . 2]" 1
808 1 36 GLN HB2 1 38 TYR HE1 5.400 . 5.400 5.386 5.139 5.431 0.031 16 0 "[ . 1 . 2]" 1
809 1 36 GLN HB2 1 55 HIS HB2 4.990 . 4.990 4.569 3.780 4.995 0.005 15 0 "[ . 1 . 2]" 1
810 1 36 GLN HB3 1 38 TYR HD1 4.770 . 4.770 4.387 3.851 4.731 . 0 0 "[ . 1 . 2]" 1
811 1 36 GLN HB3 1 38 TYR HE1 4.290 . 4.290 3.821 3.417 4.096 . 0 0 "[ . 1 . 2]" 1
812 1 36 GLN HB3 1 55 HIS HB2 4.900 . 4.900 3.409 2.977 3.784 . 0 0 "[ . 1 . 2]" 1
813 1 36 GLN HB3 1 55 HIS HD2 4.440 . 4.440 3.851 3.452 4.102 . 0 0 "[ . 1 . 2]" 1
814 1 36 GLN QG 1 37 VAL H 4.040 . 6.040 2.851 2.618 3.218 . 0 0 "[ . 1 . 2]" 1
815 1 36 GLN HG2 1 37 VAL H 4.700 . 5.700 4.267 3.459 4.840 . 0 0 "[ . 1 . 2]" 1
816 1 36 GLN HG2 1 38 TYR HD1 5.700 . 5.700 3.246 2.491 4.602 . 0 0 "[ . 1 . 2]" 1
817 1 36 GLN HG2 1 38 TYR HE1 4.740 . 4.740 3.400 2.914 4.721 . 0 0 "[ . 1 . 2]" 1
818 1 36 GLN HG2 1 55 HIS HD2 5.700 . 5.700 4.602 4.046 5.705 0.005 14 0 "[ . 1 . 2]" 1
819 1 36 GLN HG3 1 37 VAL H 4.700 . 5.700 2.911 2.647 3.427 . 0 0 "[ . 1 . 2]" 1
820 1 36 GLN HG3 1 38 TYR HD1 5.700 . 5.700 3.233 2.702 3.824 . 0 0 "[ . 1 . 2]" 1
821 1 36 GLN HG3 1 38 TYR HE1 4.740 . 4.740 4.298 3.740 4.744 0.004 15 0 "[ . 1 . 2]" 1
822 1 36 GLN HG3 1 55 HIS HD2 5.700 . 5.700 5.258 4.747 5.703 0.003 14 0 "[ . 1 . 2]" 1
823 1 37 VAL H 1 37 VAL HB 3.200 . 4.200 3.080 2.749 3.700 . 0 0 "[ . 1 . 2]" 1
824 1 37 VAL H 1 37 VAL MG1 4.240 . 6.240 3.767 3.348 3.939 . 0 0 "[ . 1 . 2]" 1
825 1 37 VAL H 1 37 VAL MG2 3.390 . 5.390 2.393 1.928 2.831 . 0 0 "[ . 1 . 2]" 1
826 1 37 VAL H 1 38 TYR H 4.650 . 5.650 4.378 4.350 4.398 . 0 0 "[ . 1 . 2]" 1
827 1 37 VAL H 1 38 TYR HD1 4.550 . 5.550 3.955 3.841 4.023 . 0 0 "[ . 1 . 2]" 1
828 1 37 VAL HA 1 38 TYR H 3.130 . 4.130 2.183 2.172 2.195 . 0 0 "[ . 1 . 2]" 1
829 1 37 VAL HA 1 38 TYR HD1 5.410 . 5.410 2.969 2.867 3.055 . 0 0 "[ . 1 . 2]" 1
830 1 37 VAL HA 1 38 TYR HE1 5.700 . 5.700 3.849 3.767 3.902 . 0 0 "[ . 1 . 2]" 1
831 1 37 VAL HA 1 53 THR H 5.250 . 6.250 4.935 4.522 5.331 . 0 0 "[ . 1 . 2]" 1
832 1 37 VAL HA 1 54 LEU HA 3.750 . 3.750 3.028 2.834 3.170 . 0 0 "[ . 1 . 2]" 1
833 1 37 VAL HA 1 54 LEU MD1 4.930 . 5.930 4.607 3.821 5.779 . 0 0 "[ . 1 . 2]" 1
834 1 37 VAL HA 1 54 LEU HG 4.840 . 4.840 4.308 4.052 4.658 . 0 0 "[ . 1 . 2]" 1
835 1 37 VAL HA 1 55 HIS H 5.000 . 5.000 3.808 3.624 3.989 . 0 0 "[ . 1 . 2]" 1
836 1 37 VAL HA 1 55 HIS HD2 5.300 . 5.300 3.568 3.298 3.815 . 0 0 "[ . 1 . 2]" 1
837 1 37 VAL HB 1 38 TYR H 4.390 . 5.390 3.689 3.099 4.015 . 0 0 "[ . 1 . 2]" 1
838 1 37 VAL HB 1 39 VAL H 5.700 . 6.700 5.701 5.236 6.102 . 0 0 "[ . 1 . 2]" 1
839 1 37 VAL MG1 1 38 TYR H 3.280 . 5.280 2.697 2.181 3.515 . 0 0 "[ . 1 . 2]" 1
840 1 37 VAL MG1 1 38 TYR HA 4.480 . 5.480 4.271 3.613 5.271 . 0 0 "[ . 1 . 2]" 1
841 1 37 VAL MG1 1 38 TYR HE1 5.700 . 6.700 5.134 4.905 5.322 . 0 0 "[ . 1 . 2]" 1
842 1 37 VAL MG1 1 52 ALA MB 3.710 . 5.710 3.929 3.203 4.927 . 0 0 "[ . 1 . 2]" 1
843 1 37 VAL MG1 1 53 THR H 3.940 . 5.940 3.850 2.890 5.020 . 0 0 "[ . 1 . 2]" 1
844 1 37 VAL MG1 1 54 LEU H 4.690 . 6.690 4.149 3.827 4.385 . 0 0 "[ . 1 . 2]" 1
845 1 37 VAL MG1 1 54 LEU HA 4.140 . 5.140 2.360 1.893 2.862 . 0 0 "[ . 1 . 2]" 1
846 1 37 VAL MG1 1 54 LEU MD1 2.970 . 4.970 2.500 1.926 3.446 . 0 0 "[ . 1 . 2]" 1
847 1 37 VAL MG1 1 54 LEU HG 3.390 . 4.390 1.966 1.873 2.111 . 0 0 "[ . 1 . 2]" 1
848 1 37 VAL MG1 1 55 HIS H 4.880 . 6.880 3.592 2.293 4.346 . 0 0 "[ . 1 . 2]" 1
849 1 37 VAL MG2 1 38 TYR H 4.440 . 6.440 4.163 4.068 4.232 . 0 0 "[ . 1 . 2]" 1
850 1 37 VAL MG2 1 38 TYR HD1 5.080 . 6.080 4.842 4.758 4.951 . 0 0 "[ . 1 . 2]" 1
851 1 37 VAL MG2 1 38 TYR HE1 5.490 . 6.490 5.600 5.322 6.072 . 0 0 "[ . 1 . 2]" 1
852 1 37 VAL MG2 1 54 LEU HA 4.330 . 5.330 3.294 2.381 4.691 . 0 0 "[ . 1 . 2]" 1
853 1 37 VAL MG2 1 54 LEU HG 3.800 . 4.800 3.094 2.105 4.575 . 0 0 "[ . 1 . 2]" 1
854 1 37 VAL MG2 1 55 HIS HD2 4.780 . 5.780 4.859 4.143 5.782 0.002 13 0 "[ . 1 . 2]" 1
855 1 38 TYR H 1 38 TYR HB2 4.030 . 5.030 3.692 3.674 3.707 . 0 0 "[ . 1 . 2]" 1
856 1 38 TYR H 1 38 TYR HB3 3.780 . 4.780 3.507 3.482 3.525 . 0 0 "[ . 1 . 2]" 1
857 1 38 TYR H 1 38 TYR HD1 3.550 . 4.550 2.586 2.472 2.672 . 0 0 "[ . 1 . 2]" 1
858 1 38 TYR H 1 38 TYR HE1 4.820 . 5.820 4.008 3.950 4.064 . 0 0 "[ . 1 . 2]" 1
859 1 38 TYR H 1 52 ALA HA 5.010 . 6.010 4.876 4.590 5.129 . 0 0 "[ . 1 . 2]" 1
860 1 38 TYR H 1 52 ALA MB 5.270 . 7.270 5.267 4.723 5.533 . 0 0 "[ . 1 . 2]" 1
861 1 38 TYR H 1 53 THR H . . 4.420 3.409 3.174 3.721 . 0 0 "[ . 1 . 2]" 1
862 1 38 TYR H 1 54 LEU HA 5.000 . 5.000 4.171 4.047 4.324 . 0 0 "[ . 1 . 2]" 1
863 1 38 TYR H 1 54 LEU HG 5.460 . 6.460 5.227 4.844 5.562 . 0 0 "[ . 1 . 2]" 1
864 1 38 TYR H 1 55 HIS HD2 5.140 . 6.140 4.554 4.268 4.779 . 0 0 "[ . 1 . 2]" 1
865 1 38 TYR HA 1 38 TYR HD1 3.840 . 3.840 3.665 3.625 3.701 . 0 0 "[ . 1 . 2]" 1
866 1 38 TYR HA 1 38 TYR QD 3.000 . 5.000 3.530 3.504 3.552 . 0 0 "[ . 1 . 2]" 1
867 1 38 TYR HA 1 38 TYR QE 4.000 . 6.000 5.551 5.543 5.557 . 0 0 "[ . 1 . 2]" 1
868 1 38 TYR HA 1 39 VAL H 2.660 . 3.660 2.172 2.121 2.253 . 0 0 "[ . 1 . 2]" 1
869 1 38 TYR HA 1 39 VAL QG 5.250 . 7.650 3.331 3.153 3.490 . 0 0 "[ . 1 . 2]" 1
870 1 38 TYR HA 1 40 VAL MG2 5.500 . 6.500 4.988 4.842 5.148 . 0 0 "[ . 1 . 2]" 1
871 1 38 TYR QB 1 38 TYR QE 4.000 . 7.400 3.939 3.938 3.942 . 0 0 "[ . 1 . 2]" 1
872 1 38 TYR HB2 1 39 VAL H 3.900 . 4.900 3.138 2.826 3.394 . 0 0 "[ . 1 . 2]" 1
873 1 38 TYR HB2 1 40 VAL MG2 4.660 . 5.660 3.622 3.510 3.695 . 0 0 "[ . 1 . 2]" 1
874 1 38 TYR HB2 1 53 THR H 5.050 . 6.050 5.086 4.856 5.415 . 0 0 "[ . 1 . 2]" 1
875 1 38 TYR HB2 1 53 THR HB 4.960 . 4.960 4.886 4.680 4.979 0.019 11 0 "[ . 1 . 2]" 1
876 1 38 TYR HB3 1 38 TYR HD1 3.640 . 3.640 2.639 2.605 2.692 . 0 0 "[ . 1 . 2]" 1
877 1 38 TYR HB3 1 38 TYR HE1 5.100 . 5.100 4.788 4.769 4.820 . 0 0 "[ . 1 . 2]" 1
878 1 38 TYR HB3 1 39 VAL H 4.490 . 5.490 3.821 3.648 3.966 . 0 0 "[ . 1 . 2]" 1
879 1 38 TYR HD1 1 53 THR H 5.610 . 6.610 5.576 5.336 5.838 . 0 0 "[ . 1 . 2]" 1
880 1 38 TYR HD1 1 53 THR HB 4.800 . 4.800 4.282 3.927 4.632 . 0 0 "[ . 1 . 2]" 1
881 1 38 TYR HD1 1 53 THR MG 4.980 . 5.980 5.114 4.819 5.334 . 0 0 "[ . 1 . 2]" 1
882 1 38 TYR HD1 1 54 LEU HA 5.700 . 5.700 5.490 5.304 5.671 . 0 0 "[ . 1 . 2]" 1
883 1 38 TYR HD1 1 55 HIS HD2 4.470 . 4.470 4.012 3.816 4.199 . 0 0 "[ . 1 . 2]" 1
884 1 38 TYR HE1 1 53 THR HB 5.030 . 5.030 3.747 3.513 4.104 . 0 0 "[ . 1 . 2]" 1
885 1 38 TYR HE1 1 53 THR MG 5.480 . 6.480 3.841 3.426 4.109 . 0 0 "[ . 1 . 2]" 1
886 1 38 TYR HE1 1 54 LEU HA 5.700 . 5.700 5.169 4.911 5.445 . 0 0 "[ . 1 . 2]" 1
887 1 38 TYR HE1 1 55 HIS HA 5.700 . 5.700 5.521 5.125 5.729 0.029 8 0 "[ . 1 . 2]" 1
888 1 38 TYR HE1 1 55 HIS HB2 5.680 . 5.680 4.852 4.719 5.063 . 0 0 "[ . 1 . 2]" 1
889 1 38 TYR HE1 1 55 HIS HD2 4.210 . 4.210 2.281 2.060 2.566 . 0 0 "[ . 1 . 2]" 1
890 1 39 VAL H 1 39 VAL HB 3.210 . 4.210 2.815 2.681 2.913 . 0 0 "[ . 1 . 2]" 1
891 1 39 VAL H 1 39 VAL QG 3.190 . 6.480 2.629 2.422 2.848 . 0 0 "[ . 1 . 2]" 1
892 1 39 VAL H 1 40 VAL H 4.790 . 5.790 4.433 4.392 4.498 . 0 0 "[ . 1 . 2]" 1
893 1 39 VAL H 1 40 VAL MG2 4.890 . 6.890 3.764 3.650 3.926 . 0 0 "[ . 1 . 2]" 1
894 1 39 VAL H 1 52 ALA HA 5.020 . 6.020 5.137 4.832 5.427 . 0 0 "[ . 1 . 2]" 1
895 1 39 VAL H 1 52 ALA MB 5.190 . 7.190 5.727 5.139 6.090 . 0 0 "[ . 1 . 2]" 1
896 1 39 VAL H 1 53 THR H 5.700 . 6.700 5.323 5.088 5.454 . 0 0 "[ . 1 . 2]" 1
897 1 39 VAL HA 1 40 VAL H 2.600 . 3.600 2.243 2.224 2.262 . 0 0 "[ . 1 . 2]" 1
898 1 39 VAL HA 1 40 VAL HA 4.700 . 4.700 4.449 4.435 4.457 . 0 0 "[ . 1 . 2]" 1
899 1 39 VAL HA 1 40 VAL HB 4.950 . 4.950 4.653 4.622 4.685 . 0 0 "[ . 1 . 2]" 1
900 1 39 VAL HA 1 40 VAL MG2 3.950 . 4.950 3.381 3.249 3.505 . 0 0 "[ . 1 . 2]" 1
901 1 39 VAL HA 1 52 ALA H 5.070 . 6.070 4.937 4.740 5.175 . 0 0 "[ . 1 . 2]" 1
902 1 39 VAL HA 1 52 ALA HA 3.390 . 3.390 2.671 2.446 2.859 . 0 0 "[ . 1 . 2]" 1
903 1 39 VAL HA 1 52 ALA MB 3.880 . 4.880 3.857 3.316 4.153 . 0 0 "[ . 1 . 2]" 1
904 1 39 VAL HA 1 53 THR H . . 4.870 3.692 3.413 3.905 . 0 0 "[ . 1 . 2]" 1
905 1 39 VAL HB 1 41 LEU MD1 4.590 . 6.990 3.507 3.410 3.676 . 0 0 "[ . 1 . 2]" 1
906 1 39 VAL HB 1 52 ALA MB 4.810 . 5.810 4.897 4.445 5.237 . 0 0 "[ . 1 . 2]" 1
907 1 39 VAL QG 1 40 VAL H 2.780 . 6.180 2.016 1.939 2.159 . 0 0 "[ . 1 . 2]" 1
908 1 39 VAL QG 1 41 LEU HB3 3.960 . 6.360 3.978 3.837 4.114 . 0 0 "[ . 1 . 2]" 1
909 1 39 VAL QG 1 41 LEU MD1 4.630 . 9.430 2.374 2.103 2.554 . 0 0 "[ . 1 . 2]" 1
910 1 39 VAL QG 1 50 SER QB 4.300 . 7.700 3.312 3.062 3.912 . 0 0 "[ . 1 . 2]" 1
911 1 39 VAL QG 1 51 ASP H 3.620 . 7.020 3.140 2.963 3.333 . 0 0 "[ . 1 . 2]" 1
912 1 39 VAL QG 1 52 ALA HA 4.000 . 5.000 2.492 2.298 2.846 . 0 0 "[ . 1 . 2]" 1
913 1 39 VAL QG 1 52 ALA MB 3.250 . 5.790 2.337 1.945 2.730 . 0 0 "[ . 1 . 2]" 1
914 1 40 VAL H 1 40 VAL HB 3.240 . 4.240 2.920 2.893 2.967 . 0 0 "[ . 1 . 2]" 1
915 1 40 VAL H 1 40 VAL MG2 3.880 . 5.880 2.870 2.711 2.953 . 0 0 "[ . 1 . 2]" 1
916 1 40 VAL H 1 41 LEU H 4.430 . 5.430 4.253 4.184 4.284 . 0 0 "[ . 1 . 2]" 1
917 1 40 VAL H 1 50 SER HA 5.230 . 6.230 4.457 4.366 4.592 . 0 0 "[ . 1 . 2]" 1
918 1 40 VAL H 1 50 SER QB 5.330 . 7.330 4.515 4.231 5.173 . 0 0 "[ . 1 . 2]" 1
919 1 40 VAL H 1 51 ASP H 3.330 . 4.330 2.707 2.602 2.811 . 0 0 "[ . 1 . 2]" 1
920 1 40 VAL H 1 51 ASP HA 5.680 . 6.680 4.762 4.670 4.858 . 0 0 "[ . 1 . 2]" 1
921 1 40 VAL H 1 52 ALA HA 4.070 . 5.070 4.044 3.822 4.243 . 0 0 "[ . 1 . 2]" 1
922 1 40 VAL H 1 52 ALA MB 4.610 . 6.610 4.705 4.264 4.942 . 0 0 "[ . 1 . 2]" 1
923 1 40 VAL H 1 53 THR H 5.620 . 6.620 5.445 5.178 5.776 . 0 0 "[ . 1 . 2]" 1
924 1 40 VAL HA 1 40 VAL MG1 3.000 . 3.600 2.311 2.205 2.364 . 0 0 "[ . 1 . 2]" 1
925 1 40 VAL HA 1 40 VAL MG2 3.000 . 3.600 2.438 2.383 2.535 . 0 0 "[ . 1 . 2]" 1
926 1 40 VAL HA 1 41 LEU H 2.630 . 3.630 2.133 2.114 2.153 . 0 0 "[ . 1 . 2]" 1
927 1 40 VAL HA 1 41 LEU HB3 5.450 . 5.450 4.823 4.808 4.846 . 0 0 "[ . 1 . 2]" 1
928 1 40 VAL HA 1 41 LEU MD1 5.020 . 7.420 2.312 2.284 2.333 . 0 0 "[ . 1 . 2]" 1
929 1 40 VAL HA 1 41 LEU HG 4.880 . 4.880 5.138 5.123 5.161 0.281 12 0 "[ . 1 . 2]" 1
930 1 40 VAL HA 1 51 ASP H 5.030 . 6.030 4.656 4.598 4.707 . 0 0 "[ . 1 . 2]" 1
931 1 40 VAL HB 1 41 LEU H 4.680 . 5.680 3.988 3.937 4.041 . 0 0 "[ . 1 . 2]" 1
932 1 40 VAL HB 1 51 ASP H 3.980 . 4.980 3.752 3.593 3.948 . 0 0 "[ . 1 . 2]" 1
933 1 40 VAL HB 1 51 ASP HB3 4.360 . 4.360 4.408 4.375 4.448 0.088 16 0 "[ . 1 . 2]" 1
934 1 40 VAL MG1 1 41 LEU H 3.310 . 5.310 2.250 2.068 2.546 . 0 0 "[ . 1 . 2]" 1
935 1 41 LEU H 1 41 LEU HB3 3.500 . 4.500 3.487 3.477 3.493 . 0 0 "[ . 1 . 2]" 1
936 1 41 LEU HA 1 41 LEU MD1 3.000 . 4.000 3.162 3.142 3.190 . 0 0 "[ . 1 . 2]" 1
937 1 41 LEU HA 1 41 LEU MD2 4.000 . 5.000 3.532 3.517 3.541 . 0 0 "[ . 1 . 2]" 1
938 1 41 LEU HA 1 42 LYS H 2.600 . 3.600 2.140 2.133 2.152 . 0 0 "[ . 1 . 2]" 1
939 1 41 LEU HA 1 49 THR H 5.110 . 6.110 4.663 4.582 4.752 . 0 0 "[ . 1 . 2]" 1
940 1 41 LEU HA 1 50 SER HA 3.580 . 3.580 2.058 1.954 2.166 . 0 0 "[ . 1 . 2]" 1
941 1 41 LEU HA 1 50 SER QB 4.310 . 5.310 3.211 3.071 3.444 . 0 0 "[ . 1 . 2]" 1
942 1 41 LEU HA 1 51 ASP H . . 4.850 3.575 3.449 3.693 . 0 0 "[ . 1 . 2]" 1
943 1 41 LEU QB 1 41 LEU MD1 3.000 . 5.000 2.200 2.169 2.215 . 0 0 "[ . 1 . 2]" 1
944 1 41 LEU QB 1 41 LEU MD2 3.000 . 5.000 2.287 2.274 2.304 . 0 0 "[ . 1 . 2]" 1
945 1 41 LEU HB2 1 42 LYS H 3.950 . 4.950 3.323 3.228 3.444 . 0 0 "[ . 1 . 2]" 1
946 1 41 LEU HB2 1 70 MET HA 5.380 . 5.380 4.166 3.948 4.419 . 0 0 "[ . 1 . 2]" 1
947 1 41 LEU HB2 1 74 ILE MD 4.790 . 5.790 4.132 3.805 4.708 . 0 0 "[ . 1 . 2]" 1
948 1 41 LEU HB3 1 41 LEU MD1 2.900 . 4.460 2.242 2.208 2.259 . 0 0 "[ . 1 . 2]" 1
949 1 41 LEU HB3 1 41 LEU MD2 3.460 . 4.460 3.201 3.199 3.204 . 0 0 "[ . 1 . 2]" 1
950 1 41 LEU HB3 1 50 SER HA 4.620 . 4.620 3.009 2.721 3.120 . 0 0 "[ . 1 . 2]" 1
951 1 41 LEU HB3 1 50 SER QB 4.350 . 5.350 2.428 1.942 2.602 . 0 0 "[ . 1 . 2]" 1
952 1 41 LEU HB3 1 51 ASP H 4.700 . 5.700 4.273 4.057 4.405 . 0 0 "[ . 1 . 2]" 1
953 1 41 LEU HB3 1 74 ILE MD 4.300 . 5.300 3.002 2.728 3.487 . 0 0 "[ . 1 . 2]" 1
954 1 41 LEU MD1 1 50 SER HA 4.000 . 5.000 3.849 3.636 3.893 . 0 0 "[ . 1 . 2]" 1
955 1 41 LEU MD1 1 50 SER QB 3.000 . 5.000 3.326 3.067 3.530 . 0 0 "[ . 1 . 2]" 1
956 1 41 LEU MD1 1 70 MET HA 5.640 . 8.040 5.946 5.554 6.166 . 0 0 "[ . 1 . 2]" 1
957 1 41 LEU MD1 1 70 MET HB2 5.490 . 7.890 6.549 6.333 6.625 . 0 0 "[ . 1 . 2]" 1
958 1 41 LEU MD1 1 70 MET HB3 5.640 . 8.040 6.633 6.338 6.727 . 0 0 "[ . 1 . 2]" 1
959 1 41 LEU MD1 1 70 MET QG 3.530 . 6.930 4.217 4.050 4.338 . 0 0 "[ . 1 . 2]" 1
960 1 42 LYS H 1 42 LYS HB2 4.140 . 5.140 3.048 2.960 3.179 . 0 0 "[ . 1 . 2]" 1
961 1 42 LYS H 1 42 LYS HB3 3.180 . 4.180 2.426 2.328 2.498 . 0 0 "[ . 1 . 2]" 1
962 1 42 LYS H 1 43 VAL H 5.620 . 6.620 4.489 4.444 4.524 . 0 0 "[ . 1 . 2]" 1
963 1 42 LYS H 1 43 VAL MG2 5.700 . 7.700 4.379 4.297 4.467 . 0 0 "[ . 1 . 2]" 1
964 1 42 LYS H 1 49 THR H . . 4.600 3.079 2.956 3.202 . 0 0 "[ . 1 . 2]" 1
965 1 42 LYS H 1 49 THR HB 4.190 . 5.190 3.353 3.192 3.469 . 0 0 "[ . 1 . 2]" 1
966 1 42 LYS H 1 49 THR MG 4.580 . 6.580 4.179 4.000 4.434 . 0 0 "[ . 1 . 2]" 1
967 1 42 LYS H 1 50 SER HA . . 4.840 3.442 3.354 3.543 . 0 0 "[ . 1 . 2]" 1
968 1 42 LYS H 1 51 ASP H 5.620 . 6.620 5.284 5.152 5.412 . 0 0 "[ . 1 . 2]" 1
969 1 42 LYS H 1 73 ALA MB 5.540 . 7.540 5.110 4.868 5.488 . 0 0 "[ . 1 . 2]" 1
970 1 42 LYS HA 1 42 LYS HD3 4.700 . 4.700 4.382 4.255 4.500 . 0 0 "[ . 1 . 2]" 1
971 1 42 LYS HA 1 42 LYS HE2 5.240 . 5.240 4.781 4.593 5.049 . 0 0 "[ . 1 . 2]" 1
972 1 42 LYS HA 1 42 LYS HG2 4.410 . 4.410 3.258 3.071 3.454 . 0 0 "[ . 1 . 2]" 1
973 1 42 LYS HA 1 42 LYS HG3 3.990 . 3.990 2.713 2.631 2.832 . 0 0 "[ . 1 . 2]" 1
974 1 42 LYS HA 1 43 VAL H 2.820 . 3.820 2.193 2.152 2.249 . 0 0 "[ . 1 . 2]" 1
975 1 42 LYS HA 1 43 VAL MG2 4.700 . 5.700 3.368 3.293 3.465 . 0 0 "[ . 1 . 2]" 1
976 1 42 LYS HA 1 44 GLU HG2 5.700 . 5.700 5.711 5.584 5.740 0.040 19 0 "[ . 1 . 2]" 1
977 1 42 LYS HB2 1 42 LYS HD3 4.080 . 4.080 2.480 2.315 2.602 . 0 0 "[ . 1 . 2]" 1
978 1 42 LYS HB3 1 42 LYS HD3 3.960 . 3.960 2.993 2.821 3.151 . 0 0 "[ . 1 . 2]" 1
979 1 42 LYS HB3 1 42 LYS HE2 3.750 . 3.750 2.035 1.976 2.302 . 0 0 "[ . 1 . 2]" 1
980 1 42 LYS HB3 1 43 VAL H 4.530 . 5.530 4.151 3.982 4.322 . 0 0 "[ . 1 . 2]" 1
981 1 42 LYS HB3 1 49 THR H 4.190 . 5.190 3.227 3.035 3.512 . 0 0 "[ . 1 . 2]" 1
982 1 42 LYS HB3 1 49 THR MG 4.410 . 5.410 4.009 3.782 4.129 . 0 0 "[ . 1 . 2]" 1
983 1 42 LYS HD2 1 43 VAL H 5.580 . 6.580 4.918 4.597 5.186 . 0 0 "[ . 1 . 2]" 1
984 1 42 LYS HD2 1 44 GLU H 5.700 . 6.700 5.673 5.410 6.010 . 0 0 "[ . 1 . 2]" 1
985 1 42 LYS HD2 1 44 GLU HB3 4.440 . 4.440 3.719 3.530 3.956 . 0 0 "[ . 1 . 2]" 1
986 1 42 LYS HD2 1 44 GLU HG2 3.920 . 3.920 3.916 3.738 3.937 0.017 10 0 "[ . 1 . 2]" 1
987 1 42 LYS HD2 1 49 THR HB 5.700 . 5.700 5.422 5.257 5.522 . 0 0 "[ . 1 . 2]" 1
988 1 42 LYS HD3 1 43 VAL H 5.700 . 6.700 5.136 4.851 5.297 . 0 0 "[ . 1 . 2]" 1
989 1 42 LYS HD3 1 49 THR HB 5.700 . 5.700 4.790 4.360 5.224 . 0 0 "[ . 1 . 2]" 1
990 1 42 LYS HE2 1 42 LYS HG3 4.270 . 4.270 3.681 3.523 3.877 . 0 0 "[ . 1 . 2]" 1
991 1 42 LYS HE2 1 49 THR HB 4.160 . 4.160 2.663 2.349 2.952 . 0 0 "[ . 1 . 2]" 1
992 1 42 LYS HE2 1 49 THR MG 4.560 . 5.560 3.748 3.476 4.172 . 0 0 "[ . 1 . 2]" 1
993 1 42 LYS HE3 1 42 LYS HG2 3.200 . 3.200 2.632 2.361 3.093 . 0 0 "[ . 1 . 2]" 1
994 1 42 LYS HE3 1 44 GLU HB3 5.520 . 5.520 4.206 3.548 4.835 . 0 0 "[ . 1 . 2]" 1
995 1 42 LYS HE3 1 44 GLU HG2 4.180 . 4.180 3.047 2.437 3.746 . 0 0 "[ . 1 . 2]" 1
996 1 42 LYS HE3 1 49 THR HB 4.420 . 4.420 3.728 3.027 4.405 . 0 0 "[ . 1 . 2]" 1
997 1 42 LYS HE3 1 49 THR MG 4.940 . 5.940 4.706 4.075 5.206 . 0 0 "[ . 1 . 2]" 1
998 1 42 LYS HG2 1 44 GLU HG2 4.120 . 4.120 2.767 2.574 2.984 . 0 0 "[ . 1 . 2]" 1
999 1 42 LYS HG2 1 49 THR HB 4.790 . 4.790 4.483 4.005 4.676 . 0 0 "[ . 1 . 2]" 1
1000 1 42 LYS HG3 1 43 VAL H 3.990 . 4.990 2.792 2.463 3.028 . 0 0 "[ . 1 . 2]" 1
1001 1 42 LYS HG3 1 49 THR HB 5.560 . 5.560 5.478 5.242 5.573 0.013 4 0 "[ . 1 . 2]" 1
1002 1 43 VAL H 1 43 VAL HB 3.300 . 4.300 2.698 2.653 2.752 . 0 0 "[ . 1 . 2]" 1
1003 1 43 VAL H 1 43 VAL MG1 4.120 . 6.120 3.879 3.862 3.903 . 0 0 "[ . 1 . 2]" 1
1004 1 43 VAL H 1 43 VAL MG2 4.390 . 6.390 2.569 2.455 2.715 . 0 0 "[ . 1 . 2]" 1
1005 1 43 VAL H 1 44 GLU H 4.730 . 5.730 4.209 4.084 4.273 . 0 0 "[ . 1 . 2]" 1
1006 1 43 VAL H 1 44 GLU HG2 4.950 . 5.950 4.717 4.550 4.880 . 0 0 "[ . 1 . 2]" 1
1007 1 43 VAL H 1 48 HIS HA 5.700 . 6.700 5.398 5.303 5.568 . 0 0 "[ . 1 . 2]" 1
1008 1 43 VAL H 1 49 THR H 5.440 . 6.440 5.240 5.152 5.303 . 0 0 "[ . 1 . 2]" 1
1009 1 43 VAL HA 1 43 VAL MG1 3.000 . 3.600 2.317 2.207 2.403 . 0 0 "[ . 1 . 2]" 1
1010 1 43 VAL HA 1 43 VAL MG2 3.000 . 3.600 2.450 2.381 2.513 . 0 0 "[ . 1 . 2]" 1
1011 1 43 VAL HA 1 44 GLU H 2.600 . 3.600 2.140 2.128 2.158 . 0 0 "[ . 1 . 2]" 1
1012 1 43 VAL HA 1 44 GLU HG2 4.130 . 4.130 3.711 3.602 3.923 . 0 0 "[ . 1 . 2]" 1
1013 1 43 VAL HA 1 48 HIS HA 3.560 . 3.560 3.166 3.081 3.390 . 0 0 "[ . 1 . 2]" 1
1014 1 43 VAL HA 1 48 HIS HB3 4.860 . 4.860 3.924 3.697 4.201 . 0 0 "[ . 1 . 2]" 1
1015 1 43 VAL HA 1 49 THR H 5.000 . 5.000 4.097 3.980 4.223 . 0 0 "[ . 1 . 2]" 1
1016 1 43 VAL MG1 1 44 GLU H 3.190 . 5.190 2.890 2.661 3.162 . 0 0 "[ . 1 . 2]" 1
1017 1 43 VAL MG1 1 44 GLU HA 4.030 . 5.030 3.672 3.542 3.854 . 0 0 "[ . 1 . 2]" 1
1018 1 43 VAL MG1 1 44 GLU HG2 5.010 . 6.010 4.819 4.662 5.008 . 0 0 "[ . 1 . 2]" 1
1019 1 43 VAL MG1 1 45 LYS H 4.830 . 6.830 4.873 4.793 4.990 . 0 0 "[ . 1 . 2]" 1
1020 1 43 VAL MG1 1 45 LYS HA 5.040 . 6.040 4.825 4.744 4.904 . 0 0 "[ . 1 . 2]" 1
1021 1 43 VAL MG1 1 48 HIS HA 5.170 . 6.170 4.479 4.340 4.686 . 0 0 "[ . 1 . 2]" 1
1022 1 43 VAL MG1 1 48 HIS HD2 5.290 . 6.290 4.603 4.159 5.209 . 0 0 "[ . 1 . 2]" 1
1023 1 43 VAL MG2 1 48 HIS H 5.700 . 7.700 6.489 6.309 6.628 . 0 0 "[ . 1 . 2]" 1
1024 1 43 VAL MG2 1 48 HIS HA 4.100 . 5.100 4.487 4.345 4.751 . 0 0 "[ . 1 . 2]" 1
1025 1 43 VAL MG2 1 48 HIS HB3 4.540 . 5.540 3.939 3.676 4.183 . 0 0 "[ . 1 . 2]" 1
1026 1 43 VAL MG2 1 48 HIS HD2 5.700 . 6.700 5.775 5.416 6.237 . 0 0 "[ . 1 . 2]" 1
1027 1 44 GLU H 1 44 GLU HB3 3.760 . 4.760 3.421 3.351 3.472 . 0 0 "[ . 1 . 2]" 1
1028 1 44 GLU H 1 44 GLU HG2 3.810 . 4.810 2.313 2.084 2.737 . 0 0 "[ . 1 . 2]" 1
1029 1 44 GLU H 1 44 GLU HG3 4.230 . 5.230 2.753 2.359 2.879 . 0 0 "[ . 1 . 2]" 1
1030 1 44 GLU H 1 46 VAL H 4.830 . 5.830 4.450 4.382 4.502 . 0 0 "[ . 1 . 2]" 1
1031 1 44 GLU H 1 48 HIS HA 3.570 . 4.570 3.255 3.133 3.362 . 0 0 "[ . 1 . 2]" 1
1032 1 44 GLU H 1 49 THR H 5.060 . 6.060 4.776 4.527 4.918 . 0 0 "[ . 1 . 2]" 1
1033 1 44 GLU HA 1 44 GLU HG2 3.900 . 3.900 3.647 3.568 3.760 . 0 0 "[ . 1 . 2]" 1
1034 1 44 GLU HA 1 45 LYS H 3.360 . 4.360 2.295 2.292 2.300 . 0 0 "[ . 1 . 2]" 1
1035 1 44 GLU HA 1 45 LYS HA 4.710 . 4.710 4.287 4.281 4.295 . 0 0 "[ . 1 . 2]" 1
1036 1 44 GLU HB2 1 44 GLU HG3 2.920 . 2.920 2.444 2.385 2.603 . 0 0 "[ . 1 . 2]" 1
1037 1 44 GLU HB2 1 45 LYS H 4.400 . 5.400 2.709 2.695 2.720 . 0 0 "[ . 1 . 2]" 1
1038 1 44 GLU HB2 1 46 VAL H 2.940 . 3.940 2.475 2.392 2.555 . 0 0 "[ . 1 . 2]" 1
1039 1 44 GLU HB2 1 46 VAL HA 5.420 . 5.420 5.272 5.192 5.351 . 0 0 "[ . 1 . 2]" 1
1040 1 44 GLU HB2 1 46 VAL MG1 4.450 . 5.450 4.911 4.445 5.229 . 0 0 "[ . 1 . 2]" 1
1041 1 44 GLU HB2 1 46 VAL MG2 3.770 . 4.770 3.136 2.183 3.587 . 0 0 "[ . 1 . 2]" 1
1042 1 44 GLU HB2 1 47 THR H 4.210 . 5.210 4.051 3.920 5.142 . 0 0 "[ . 1 . 2]" 1
1043 1 44 GLU HB3 1 44 GLU HG2 2.940 . 2.940 2.437 2.303 2.497 . 0 0 "[ . 1 . 2]" 1
1044 1 44 GLU HB3 1 45 LYS H 4.650 . 5.650 3.716 3.646 3.790 . 0 0 "[ . 1 . 2]" 1
1045 1 44 GLU HB3 1 47 THR H 5.390 . 6.390 5.083 4.972 6.288 . 0 0 "[ . 1 . 2]" 1
1046 1 44 GLU HG2 1 48 HIS HA 4.460 . 4.460 3.542 3.470 3.621 . 0 0 "[ . 1 . 2]" 1
1047 1 44 GLU HG3 1 45 LYS H 4.720 . 5.720 4.321 4.200 4.420 . 0 0 "[ . 1 . 2]" 1
1048 1 44 GLU HG3 1 48 HIS HA 4.850 . 4.850 4.053 3.464 4.157 . 0 0 "[ . 1 . 2]" 1
1049 1 45 LYS H 1 46 VAL H 4.950 . 5.950 2.816 2.780 2.865 . 0 0 "[ . 1 . 2]" 1
1050 1 45 LYS HA 1 45 LYS QD 4.190 . 5.190 3.768 3.383 4.069 . 0 0 "[ . 1 . 2]" 1
1051 1 45 LYS HA 1 45 LYS HG2 3.430 . 3.430 2.391 2.197 2.674 . 0 0 "[ . 1 . 2]" 1
1052 1 45 LYS HA 1 46 VAL H 3.730 . 4.730 3.451 3.432 3.484 . 0 0 "[ . 1 . 2]" 1
1053 1 45 LYS HA 1 46 VAL MG1 5.680 . 6.680 5.896 5.276 6.101 . 0 0 "[ . 1 . 2]" 1
1054 1 45 LYS HA 1 46 VAL MG2 5.000 . 6.000 4.714 4.587 4.827 . 0 0 "[ . 1 . 2]" 1
1055 1 45 LYS HB2 1 45 LYS HE2 5.700 . 5.700 4.651 2.805 5.364 . 0 0 "[ . 1 . 2]" 1
1056 1 45 LYS HB2 1 45 LYS HE3 5.700 . 5.700 4.353 3.310 5.201 . 0 0 "[ . 1 . 2]" 1
1057 1 45 LYS HB2 1 46 VAL MG2 5.700 . 6.700 4.604 4.368 4.979 . 0 0 "[ . 1 . 2]" 1
1058 1 45 LYS HB3 1 45 LYS QD 3.710 . 4.710 2.065 1.967 2.209 . 0 0 "[ . 1 . 2]" 1
1059 1 45 LYS HB3 1 46 VAL H 3.490 . 4.490 3.135 2.935 3.210 . 0 0 "[ . 1 . 2]" 1
1060 1 45 LYS HB3 1 46 VAL MG1 4.610 . 5.610 5.054 3.774 5.545 . 0 0 "[ . 1 . 2]" 1
1061 1 45 LYS HB3 1 46 VAL MG2 4.210 . 5.210 3.262 2.905 3.825 . 0 0 "[ . 1 . 2]" 1
1062 1 45 LYS QD 1 46 VAL H 4.410 . 6.410 4.240 3.762 4.803 . 0 0 "[ . 1 . 2]" 1
1063 1 45 LYS QD 1 46 VAL HA 4.220 . 5.220 3.871 3.164 4.891 . 0 0 "[ . 1 . 2]" 1
1064 1 45 LYS QD 1 46 VAL MG1 3.560 . 5.560 4.684 3.291 5.562 0.002 5 0 "[ . 1 . 2]" 1
1065 1 45 LYS QD 1 46 VAL MG2 4.570 . 6.570 3.659 2.972 4.860 . 0 0 "[ . 1 . 2]" 1
1066 1 45 LYS HG2 1 46 VAL H 4.830 . 5.830 4.626 4.252 4.910 . 0 0 "[ . 1 . 2]" 1
1067 1 46 VAL H 1 46 VAL HB 3.990 . 4.990 2.789 2.507 3.521 . 0 0 "[ . 1 . 2]" 1
1068 1 46 VAL H 1 46 VAL MG1 3.700 . 5.700 3.641 3.144 3.805 . 0 0 "[ . 1 . 2]" 1
1069 1 46 VAL H 1 46 VAL MG2 3.080 . 5.080 2.165 1.822 2.406 . 0 0 "[ . 1 . 2]" 1
1070 1 46 VAL H 1 47 THR H 3.430 . 4.430 3.108 3.048 3.906 . 0 0 "[ . 1 . 2]" 1
1071 1 46 VAL HA 1 46 VAL HB 2.970 . 2.970 2.935 2.688 3.019 0.049 18 0 "[ . 1 . 2]" 1
1072 1 46 VAL HA 1 46 VAL MG1 3.000 . 3.600 2.278 1.965 2.410 . 0 0 "[ . 1 . 2]" 1
1073 1 46 VAL HA 1 46 VAL MG2 3.000 . 3.600 2.596 2.291 3.129 . 0 0 "[ . 1 . 2]" 1
1074 1 46 VAL HA 1 47 THR MG 5.700 . 6.700 5.647 4.942 5.844 . 0 0 "[ . 1 . 2]" 1
1075 1 46 VAL HB 1 47 THR H 4.270 . 5.270 1.928 1.825 2.225 . 0 0 "[ . 1 . 2]" 1
1076 1 46 VAL MG1 1 47 THR H 4.380 . 6.380 2.812 2.021 3.718 . 0 0 "[ . 1 . 2]" 1
1077 1 46 VAL MG2 1 47 THR H 3.620 . 5.620 3.132 1.888 3.568 . 0 0 "[ . 1 . 2]" 1
1078 1 46 VAL MG2 1 47 THR HA 4.590 . 5.590 5.233 4.409 5.510 . 0 0 "[ . 1 . 2]" 1
1079 1 46 VAL MG2 1 47 THR HB 4.800 . 5.800 5.122 3.955 5.719 . 0 0 "[ . 1 . 2]" 1
1080 1 46 VAL MG2 1 48 HIS HD2 5.700 . 6.700 6.503 5.556 6.737 0.037 14 0 "[ . 1 . 2]" 1
1081 1 47 THR H 1 47 THR HB 3.370 . 4.370 2.856 2.709 3.133 . 0 0 "[ . 1 . 2]" 1
1082 1 47 THR H 1 47 THR MG 4.280 . 6.280 3.844 2.377 3.954 . 0 0 "[ . 1 . 2]" 1
1083 1 47 THR H 1 48 HIS H 4.710 . 5.710 4.466 4.452 4.593 . 0 0 "[ . 1 . 2]" 1
1084 1 47 THR HA 1 47 THR MG 3.000 . 3.600 2.345 2.089 3.201 . 0 0 "[ . 1 . 2]" 1
1085 1 47 THR HA 1 48 HIS H 2.670 . 3.670 2.300 2.279 2.313 . 0 0 "[ . 1 . 2]" 1
1086 1 47 THR HA 1 48 HIS HD2 4.400 . 4.400 2.695 2.478 3.087 . 0 0 "[ . 1 . 2]" 1
1087 1 47 THR HB 1 48 HIS H 3.940 . 4.940 3.632 3.355 3.926 . 0 0 "[ . 1 . 2]" 1
1088 1 47 THR HB 1 66 GLU QB 3.990 . 4.990 4.616 3.992 4.913 . 0 0 "[ . 1 . 2]" 1
1089 1 47 THR MG 1 48 HIS H 3.230 . 5.230 2.167 1.967 3.591 . 0 0 "[ . 1 . 2]" 1
1090 1 47 THR MG 1 48 HIS HA 4.740 . 5.740 4.099 3.812 4.476 . 0 0 "[ . 1 . 2]" 1
1091 1 47 THR MG 1 66 GLU QB 3.280 . 5.280 2.697 2.346 3.337 . 0 0 "[ . 1 . 2]" 1
1092 1 47 THR MG 1 66 GLU HG2 4.190 . 5.190 4.418 3.098 5.198 0.008 10 0 "[ . 1 . 2]" 1
1093 1 47 THR MG 1 66 GLU QG 3.440 . 5.440 3.737 3.048 4.631 . 0 0 "[ . 1 . 2]" 1
1094 1 47 THR MG 1 66 GLU HG3 4.190 . 5.190 4.261 3.203 5.198 0.008 10 0 "[ . 1 . 2]" 1
1095 1 47 THR MG 1 67 GLY H 3.630 . 5.630 3.800 3.253 5.181 . 0 0 "[ . 1 . 2]" 1
1096 1 47 THR MG 1 73 ALA MB 5.690 . 7.690 5.245 4.819 6.195 . 0 0 "[ . 1 . 2]" 1
1097 1 48 HIS H 1 48 HIS HB2 3.330 . 4.330 2.518 2.404 2.596 . 0 0 "[ . 1 . 2]" 1
1098 1 48 HIS H 1 48 HIS HB3 3.980 . 4.980 3.669 3.620 3.703 . 0 0 "[ . 1 . 2]" 1
1099 1 48 HIS H 1 48 HIS HD2 3.650 . 4.650 2.313 2.124 2.517 . 0 0 "[ . 1 . 2]" 1
1100 1 48 HIS H 1 49 THR H 4.850 . 5.850 4.521 4.486 4.578 . 0 0 "[ . 1 . 2]" 1
1101 1 48 HIS H 1 66 GLU HA 5.460 . 6.460 5.287 4.744 5.733 . 0 0 "[ . 1 . 2]" 1
1102 1 48 HIS H 1 66 GLU QB 4.530 . 6.530 4.025 3.552 4.532 . 0 0 "[ . 1 . 2]" 1
1103 1 48 HIS H 1 67 GLY HA3 5.230 . 6.230 5.832 5.242 6.252 0.022 16 0 "[ . 1 . 2]" 1
1104 1 48 HIS H 1 68 GLN H 5.510 . 6.510 5.548 4.311 6.311 . 0 0 "[ . 1 . 2]" 1
1105 1 48 HIS H 1 73 ALA MB 4.770 . 6.770 5.049 4.813 5.290 . 0 0 "[ . 1 . 2]" 1
1106 1 48 HIS HA 1 48 HIS HD2 5.000 . 5.000 3.471 3.245 4.005 . 0 0 "[ . 1 . 2]" 1
1107 1 48 HIS HA 1 49 THR H 2.610 . 3.610 2.201 2.174 2.299 . 0 0 "[ . 1 . 2]" 1
1108 1 48 HIS HA 1 67 GLY H 4.960 . 5.960 5.214 4.668 5.801 . 0 0 "[ . 1 . 2]" 1
1109 1 48 HIS HB2 1 49 THR H 4.520 . 5.520 4.073 3.867 4.140 . 0 0 "[ . 1 . 2]" 1
1110 1 48 HIS HB2 1 67 GLY H 3.720 . 4.720 2.964 2.344 3.675 . 0 0 "[ . 1 . 2]" 1
1111 1 48 HIS HB2 1 69 ASP H 4.140 . 5.140 3.743 3.224 4.332 . 0 0 "[ . 1 . 2]" 1
1112 1 48 HIS HB2 1 70 MET HA 4.980 . 4.980 4.293 3.417 4.837 . 0 0 "[ . 1 . 2]" 1
1113 1 48 HIS HB2 1 73 ALA H 4.270 . 5.270 4.406 4.153 4.791 . 0 0 "[ . 1 . 2]" 1
1114 1 48 HIS HB2 1 73 ALA MB 4.960 . 5.960 3.178 2.941 3.409 . 0 0 "[ . 1 . 2]" 1
1115 1 48 HIS HB3 1 49 THR H 3.570 . 4.570 3.109 2.766 3.232 . 0 0 "[ . 1 . 2]" 1
1116 1 48 HIS HB3 1 70 MET H 4.980 . 5.980 4.547 4.014 5.270 . 0 0 "[ . 1 . 2]" 1
1117 1 48 HIS HB3 1 70 MET HA 3.990 . 3.990 3.322 2.616 3.929 . 0 0 "[ . 1 . 2]" 1
1118 1 48 HIS HB3 1 73 ALA MB 3.800 . 4.800 3.180 2.913 3.588 . 0 0 "[ . 1 . 2]" 1
1119 1 48 HIS HD2 1 68 GLN HA 4.370 . 4.370 4.189 3.373 4.387 0.017 14 0 "[ . 1 . 2]" 1
1120 1 48 HIS HD2 1 69 ASP H 5.130 . 6.130 5.175 4.468 5.482 . 0 0 "[ . 1 . 2]" 1
1121 1 48 HIS HD2 1 69 ASP HA 4.540 . 4.540 3.983 3.217 4.543 0.003 7 0 "[ . 1 . 2]" 1
1122 1 48 HIS HD2 1 70 MET H 5.700 . 6.700 5.909 5.297 6.533 . 0 0 "[ . 1 . 2]" 1
1123 1 48 HIS HD2 1 73 ALA MB 5.700 . 6.700 5.935 5.654 6.174 . 0 0 "[ . 1 . 2]" 1
1124 1 49 THR H 1 49 THR HB 3.210 . 4.210 2.730 2.662 2.903 . 0 0 "[ . 1 . 2]" 1
1125 1 49 THR H 1 49 THR MG 4.250 . 6.250 3.907 3.882 3.966 . 0 0 "[ . 1 . 2]" 1
1126 1 49 THR H 1 50 SER H 4.670 . 5.670 4.384 4.196 4.449 . 0 0 "[ . 1 . 2]" 1
1127 1 49 THR H 1 66 GLU HA 5.070 . 6.070 5.115 4.685 5.490 . 0 0 "[ . 1 . 2]" 1
1128 1 49 THR H 1 67 GLY H 5.220 . 6.220 5.441 5.060 5.967 . 0 0 "[ . 1 . 2]" 1
1129 1 49 THR H 1 73 ALA MB 4.560 . 6.560 4.316 4.040 4.556 . 0 0 "[ . 1 . 2]" 1
1130 1 49 THR HA 1 49 THR MG 3.000 . 3.600 2.381 2.253 2.479 . 0 0 "[ . 1 . 2]" 1
1131 1 49 THR HA 1 50 SER H 2.600 . 3.600 2.175 2.133 2.214 . 0 0 "[ . 1 . 2]" 1
1132 1 49 THR HA 1 66 GLU H 5.230 . 6.230 5.142 4.694 5.310 . 0 0 "[ . 1 . 2]" 1
1133 1 49 THR HA 1 66 GLU HA 3.000 . 3.000 2.834 2.527 3.032 0.032 8 0 "[ . 1 . 2]" 1
1134 1 49 THR HA 1 66 GLU HB2 4.520 . 4.520 3.790 3.269 4.528 0.008 3 0 "[ . 1 . 2]" 1
1135 1 49 THR HA 1 66 GLU QB 3.910 . 4.910 2.889 2.171 3.834 . 0 0 "[ . 1 . 2]" 1
1136 1 49 THR HA 1 66 GLU HB3 4.520 . 4.520 3.018 2.199 4.144 . 0 0 "[ . 1 . 2]" 1
1137 1 49 THR HA 1 67 GLY H 4.250 . 5.250 4.260 3.673 4.620 . 0 0 "[ . 1 . 2]" 1
1138 1 49 THR HA 1 73 ALA MB 4.000 . 4.640 3.486 3.029 4.036 . 0 0 "[ . 1 . 2]" 1
1139 1 49 THR HB 1 50 SER H 4.150 . 5.150 4.012 3.895 4.141 . 0 0 "[ . 1 . 2]" 1
1140 1 49 THR MG 1 50 SER H 3.060 . 5.060 2.350 2.112 2.733 . 0 0 "[ . 1 . 2]" 1
1141 1 49 THR MG 1 50 SER HA 4.620 . 5.620 3.662 3.437 4.010 . 0 0 "[ . 1 . 2]" 1
1142 1 49 THR MG 1 51 ASP H 4.980 . 6.980 4.611 4.399 4.921 . 0 0 "[ . 1 . 2]" 1
1143 1 49 THR MG 1 51 ASP HB3 4.570 . 5.570 4.021 3.827 4.265 . 0 0 "[ . 1 . 2]" 1
1144 1 49 THR MG 1 64 SER QB 3.810 . 5.810 3.462 2.818 4.247 . 0 0 "[ . 1 . 2]" 1
1145 1 49 THR MG 1 65 ALA H 4.520 . 6.520 4.301 3.959 4.784 . 0 0 "[ . 1 . 2]" 1
1146 1 49 THR MG 1 65 ALA HA 5.140 . 6.140 5.110 4.711 5.455 . 0 0 "[ . 1 . 2]" 1
1147 1 49 THR MG 1 66 GLU HA 4.120 . 5.120 4.261 3.678 4.614 . 0 0 "[ . 1 . 2]" 1
1148 1 49 THR MG 1 66 GLU QB 4.090 . 6.090 3.489 2.836 4.350 . 0 0 "[ . 1 . 2]" 1
1149 1 49 THR MG 1 73 ALA MB 4.570 . 6.570 4.597 4.205 5.148 . 0 0 "[ . 1 . 2]" 1
1150 1 50 SER H 1 50 SER QB 3.240 . 5.240 2.977 2.658 3.152 . 0 0 "[ . 1 . 2]" 1
1151 1 50 SER H 1 51 ASP H 4.750 . 5.750 4.383 4.318 4.426 . 0 0 "[ . 1 . 2]" 1
1152 1 50 SER H 1 64 SER QB 5.300 . 7.300 4.402 3.461 5.230 . 0 0 "[ . 1 . 2]" 1
1153 1 50 SER H 1 65 ALA H . . 4.760 3.411 2.921 3.869 . 0 0 "[ . 1 . 2]" 1
1154 1 50 SER H 1 65 ALA HA 5.280 . 6.280 4.893 4.659 5.020 . 0 0 "[ . 1 . 2]" 1
1155 1 50 SER H 1 66 GLU H 5.210 . 6.210 4.956 4.667 5.117 . 0 0 "[ . 1 . 2]" 1
1156 1 50 SER H 1 66 GLU HA . . 4.610 3.303 2.913 3.594 . 0 0 "[ . 1 . 2]" 1
1157 1 50 SER H 1 66 GLU QB 4.620 . 6.620 3.981 3.372 4.784 . 0 0 "[ . 1 . 2]" 1
1158 1 50 SER H 1 73 ALA HA 5.700 . 6.700 5.054 4.590 5.547 . 0 0 "[ . 1 . 2]" 1
1159 1 50 SER H 1 73 ALA MB 3.260 . 5.260 3.091 2.567 3.455 . 0 0 "[ . 1 . 2]" 1
1160 1 50 SER H 1 77 LEU HB2 5.090 . 6.090 5.137 4.773 5.481 . 0 0 "[ . 1 . 2]" 1
1161 1 50 SER HA 1 51 ASP H 2.600 . 3.600 2.242 2.201 2.275 . 0 0 "[ . 1 . 2]" 1
1162 1 50 SER HA 1 73 ALA MB 4.700 . 5.700 4.020 3.784 4.394 . 0 0 "[ . 1 . 2]" 1
1163 1 50 SER QB 1 51 ASP H 3.640 . 5.640 2.918 2.780 3.510 . 0 0 "[ . 1 . 2]" 1
1164 1 50 SER QB 1 65 ALA H 4.740 . 6.740 3.992 3.421 4.552 . 0 0 "[ . 1 . 2]" 1
1165 1 50 SER QB 1 65 ALA MB 4.440 . 5.440 4.222 3.705 4.973 . 0 0 "[ . 1 . 2]" 1
1166 1 50 SER QB 1 73 ALA MB 4.000 . 4.580 2.139 1.808 2.774 . 0 0 "[ . 1 . 2]" 1
1167 1 50 SER QB 1 74 ILE H 4.680 . 6.680 4.332 4.046 4.725 . 0 0 "[ . 1 . 2]" 1
1168 1 50 SER QB 1 74 ILE HA 4.080 . 5.080 3.762 3.426 4.008 . 0 0 "[ . 1 . 2]" 1
1169 1 50 SER QB 1 74 ILE MD 3.000 . 4.890 2.461 2.089 2.667 . 0 0 "[ . 1 . 2]" 1
1170 1 50 SER QB 1 74 ILE QG 4.230 . 5.230 3.835 3.155 4.050 . 0 0 "[ . 1 . 2]" 1
1171 1 50 SER QB 1 74 ILE MG 4.880 . 6.880 4.734 4.467 4.984 . 0 0 "[ . 1 . 2]" 1
1172 1 50 SER QB 1 77 LEU H 5.540 . 7.540 5.326 4.729 5.797 . 0 0 "[ . 1 . 2]" 1
1173 1 50 SER QB 1 77 LEU HB3 4.710 . 5.710 4.064 3.631 4.424 . 0 0 "[ . 1 . 2]" 1
1174 1 50 SER QB 1 77 LEU MD1 3.990 . 7.390 4.034 2.472 5.159 . 0 0 "[ . 1 . 2]" 1
1175 1 50 SER HB2 1 74 ILE HA 4.760 . 4.760 4.063 3.647 4.758 . 0 0 "[ . 1 . 2]" 1
1176 1 50 SER HB2 1 74 ILE QG 4.890 . 4.890 4.404 3.609 4.712 . 0 0 "[ . 1 . 2]" 1
1177 1 50 SER HB2 1 77 LEU HB3 5.560 . 5.560 4.336 3.830 5.370 . 0 0 "[ . 1 . 2]" 1
1178 1 50 SER HB3 1 74 ILE HA 4.760 . 4.760 4.498 3.883 4.789 0.029 15 0 "[ . 1 . 2]" 1
1179 1 50 SER HB3 1 74 ILE QG 4.890 . 4.890 4.228 3.482 4.453 . 0 0 "[ . 1 . 2]" 1
1180 1 50 SER HB3 1 77 LEU HB3 5.560 . 5.560 5.104 3.810 5.579 0.019 7 0 "[ . 1 . 2]" 1
1181 1 51 ASP H 1 51 ASP HB3 3.420 . 4.420 3.154 3.042 3.302 . 0 0 "[ . 1 . 2]" 1
1182 1 51 ASP H 1 52 ALA HA 5.240 . 6.240 4.919 4.855 4.982 . 0 0 "[ . 1 . 2]" 1
1183 1 51 ASP H 1 52 ALA MB 5.060 . 7.060 4.732 4.495 4.893 . 0 0 "[ . 1 . 2]" 1
1184 1 51 ASP H 1 64 SER HB2 5.700 . 6.700 5.670 4.807 6.599 . 0 0 "[ . 1 . 2]" 1
1185 1 51 ASP H 1 64 SER HB3 5.700 . 6.700 5.714 4.845 6.706 0.006 15 0 "[ . 1 . 2]" 1
1186 1 51 ASP HA 1 52 ALA H 2.730 . 3.730 2.266 2.203 2.358 . 0 0 "[ . 1 . 2]" 1
1187 1 51 ASP HA 1 52 ALA MB 5.140 . 6.140 3.858 3.785 3.910 . 0 0 "[ . 1 . 2]" 1
1188 1 51 ASP HA 1 64 SER QB 3.860 . 4.860 3.004 2.556 3.733 . 0 0 "[ . 1 . 2]" 1
1189 1 51 ASP HA 1 65 ALA H . . 4.650 3.280 3.013 3.635 . 0 0 "[ . 1 . 2]" 1
1190 1 51 ASP HA 1 77 LEU MD1 3.460 . 5.130 3.021 2.041 3.958 . 0 0 "[ . 1 . 2]" 1
1191 1 51 ASP HA 1 77 LEU MD2 4.130 . 5.130 3.008 1.894 4.951 . 0 0 "[ . 1 . 2]" 1
1192 1 51 ASP HA 1 77 LEU HG 5.400 . 5.400 4.786 2.911 5.435 0.035 14 0 "[ . 1 . 2]" 1
1193 1 51 ASP HB2 1 52 ALA H 3.650 . 4.650 2.821 2.579 2.971 . 0 0 "[ . 1 . 2]" 1
1194 1 51 ASP HB2 1 62 HIS HD2 5.700 . 5.700 3.511 3.050 4.265 . 0 0 "[ . 1 . 2]" 1
1195 1 51 ASP HB2 1 64 SER HA 4.620 . 4.620 3.851 3.445 4.323 . 0 0 "[ . 1 . 2]" 1
1196 1 51 ASP HB2 1 64 SER QB 4.800 . 5.800 3.442 2.842 4.027 . 0 0 "[ . 1 . 2]" 1
1197 1 51 ASP HB2 1 77 LEU MD1 4.260 . 6.660 4.711 3.953 5.466 . 0 0 "[ . 1 . 2]" 1
1198 1 51 ASP HB3 1 52 ALA H 4.550 . 5.550 3.986 3.881 4.133 . 0 0 "[ . 1 . 2]" 1
1199 1 51 ASP HB3 1 64 SER HA 4.720 . 4.720 3.783 3.330 4.126 . 0 0 "[ . 1 . 2]" 1
1200 1 51 ASP HB3 1 64 SER QB 4.750 . 5.750 3.053 2.410 3.776 . 0 0 "[ . 1 . 2]" 1
1201 1 52 ALA H 1 52 ALA MB 3.190 . 5.190 2.605 2.492 2.721 . 0 0 "[ . 1 . 2]" 1
1202 1 52 ALA H 1 53 THR H 4.360 . 5.360 4.106 3.907 4.379 . 0 0 "[ . 1 . 2]" 1
1203 1 52 ALA H 1 62 HIS HD2 4.610 . 5.610 3.331 2.777 3.914 . 0 0 "[ . 1 . 2]" 1
1204 1 52 ALA H 1 63 ALA H . . 4.380 3.321 3.026 3.614 . 0 0 "[ . 1 . 2]" 1
1205 1 52 ALA H 1 63 ALA MB 4.350 . 6.350 3.987 3.610 4.267 . 0 0 "[ . 1 . 2]" 1
1206 1 52 ALA H 1 64 SER H 5.380 . 6.380 4.775 4.585 4.940 . 0 0 "[ . 1 . 2]" 1
1207 1 52 ALA H 1 64 SER HA 5.000 . 5.000 3.091 2.627 3.459 . 0 0 "[ . 1 . 2]" 1
1208 1 52 ALA H 1 64 SER QB 5.040 . 7.040 4.143 3.581 4.679 . 0 0 "[ . 1 . 2]" 1
1209 1 52 ALA H 1 77 LEU MD1 3.310 . 6.710 2.658 2.287 3.575 . 0 0 "[ . 1 . 2]" 1
1210 1 52 ALA H 1 81 LEU MD1 4.330 . 7.730 4.087 3.601 4.536 . 0 0 "[ . 1 . 2]" 1
1211 1 52 ALA HA 1 53 THR H 2.640 . 3.640 2.151 2.101 2.218 . 0 0 "[ . 1 . 2]" 1
1212 1 52 ALA HA 1 54 LEU MD1 4.780 . 5.780 4.243 3.625 5.443 . 0 0 "[ . 1 . 2]" 1
1213 1 52 ALA HA 1 81 LEU MD1 4.960 . 7.360 4.329 3.971 4.797 . 0 0 "[ . 1 . 2]" 1
1214 1 52 ALA MB 1 53 THR H 3.560 . 5.560 3.196 2.806 3.375 . 0 0 "[ . 1 . 2]" 1
1215 1 52 ALA MB 1 53 THR HA 4.930 . 5.930 4.136 3.963 4.239 . 0 0 "[ . 1 . 2]" 1
1216 1 52 ALA MB 1 54 LEU MD1 3.490 . 5.490 2.659 2.282 3.389 . 0 0 "[ . 1 . 2]" 1
1217 1 52 ALA MB 1 62 HIS HD2 5.700 . 6.700 4.747 4.292 5.209 . 0 0 "[ . 1 . 2]" 1
1218 1 52 ALA MB 1 63 ALA H 4.460 . 6.460 3.753 3.236 4.099 . 0 0 "[ . 1 . 2]" 1
1219 1 52 ALA MB 1 63 ALA MB 4.490 . 5.490 3.551 3.191 3.950 . 0 0 "[ . 1 . 2]" 1
1220 1 52 ALA MB 1 77 LEU MD1 3.040 . 6.440 1.979 1.646 3.183 0.154 8 0 "[ . 1 . 2]" 1
1221 1 52 ALA MB 1 81 LEU MD1 3.060 . 5.500 2.078 1.788 2.715 0.012 12 0 "[ . 1 . 2]" 1
1222 1 52 ALA MB 1 81 LEU MD2 3.500 . 5.500 2.658 1.768 3.347 0.032 13 0 "[ . 1 . 2]" 1
1223 1 53 THR H 1 53 THR HB 3.280 . 4.280 2.876 2.595 3.161 . 0 0 "[ . 1 . 2]" 1
1224 1 53 THR H 1 53 THR MG 4.230 . 6.230 3.892 3.829 3.996 . 0 0 "[ . 1 . 2]" 1
1225 1 53 THR H 1 54 LEU H 4.660 . 5.660 4.161 3.924 4.311 . 0 0 "[ . 1 . 2]" 1
1226 1 53 THR H 1 54 LEU MD1 4.300 . 6.300 3.797 3.231 4.694 . 0 0 "[ . 1 . 2]" 1
1227 1 53 THR H 1 63 ALA H 5.580 . 6.580 4.923 4.752 5.116 . 0 0 "[ . 1 . 2]" 1
1228 1 53 THR HA 1 53 THR MG 3.000 . 3.600 2.247 2.104 2.349 . 0 0 "[ . 1 . 2]" 1
1229 1 53 THR HA 1 54 LEU H 2.710 . 3.710 2.162 2.149 2.179 . 0 0 "[ . 1 . 2]" 1
1230 1 53 THR HA 1 61 ILE H 5.370 . 6.370 5.013 4.578 5.339 . 0 0 "[ . 1 . 2]" 1
1231 1 53 THR HA 1 62 HIS H 5.160 . 6.160 4.790 4.621 4.955 . 0 0 "[ . 1 . 2]" 1
1232 1 53 THR HA 1 62 HIS HA 3.380 . 3.380 2.262 2.041 2.569 . 0 0 "[ . 1 . 2]" 1
1233 1 53 THR HA 1 62 HIS QB 4.330 . 5.330 3.852 3.461 4.111 . 0 0 "[ . 1 . 2]" 1
1234 1 53 THR HA 1 62 HIS HD2 4.900 . 4.900 3.525 2.704 4.458 . 0 0 "[ . 1 . 2]" 1
1235 1 53 THR HA 1 63 ALA H . . 4.910 3.318 2.978 3.838 . 0 0 "[ . 1 . 2]" 1
1236 1 53 THR HB 1 54 LEU H 4.630 . 5.630 4.207 4.131 4.336 . 0 0 "[ . 1 . 2]" 1
1237 1 53 THR HB 1 55 HIS HD2 5.340 . 5.340 4.144 3.899 4.546 . 0 0 "[ . 1 . 2]" 1
1238 1 53 THR HB 1 62 HIS HD2 5.700 . 5.700 4.999 3.970 5.702 0.002 18 0 "[ . 1 . 2]" 1
1239 1 53 THR MG 1 54 LEU H 3.320 . 5.320 3.211 2.952 3.416 . 0 0 "[ . 1 . 2]" 1
1240 1 53 THR MG 1 55 HIS HD2 3.880 . 4.880 3.588 3.171 3.855 . 0 0 "[ . 1 . 2]" 1
1241 1 53 THR MG 1 60 GLU HA 4.990 . 5.990 4.814 4.175 5.460 . 0 0 "[ . 1 . 2]" 1
1242 1 53 THR MG 1 60 GLU HB3 4.240 . 5.240 3.346 2.855 3.861 . 0 0 "[ . 1 . 2]" 1
1243 1 53 THR MG 1 60 GLU HG2 4.870 . 5.870 4.470 3.760 5.257 . 0 0 "[ . 1 . 2]" 1
1244 1 53 THR MG 1 61 ILE H 4.420 . 6.420 4.126 3.712 4.644 . 0 0 "[ . 1 . 2]" 1
1245 1 53 THR MG 1 62 HIS H 4.870 . 6.870 4.174 3.791 4.419 . 0 0 "[ . 1 . 2]" 1
1246 1 53 THR MG 1 62 HIS HA 4.000 . 5.000 2.514 2.248 2.877 . 0 0 "[ . 1 . 2]" 1
1247 1 53 THR MG 1 62 HIS QB 4.110 . 6.110 2.250 1.948 2.690 . 0 0 "[ . 1 . 2]" 1
1248 1 53 THR MG 1 62 HIS HD2 4.680 . 5.680 3.461 2.207 4.208 . 0 0 "[ . 1 . 2]" 1
1249 1 54 LEU H 1 54 LEU HB2 3.350 . 4.350 2.334 2.267 2.671 . 0 0 "[ . 1 . 2]" 1
1250 1 54 LEU H 1 54 LEU MD1 3.580 . 5.580 2.506 1.946 3.276 . 0 0 "[ . 1 . 2]" 1
1251 1 54 LEU H 1 54 LEU HG 4.250 . 5.250 3.878 3.143 4.236 . 0 0 "[ . 1 . 2]" 1
1252 1 54 LEU H 1 55 HIS H 4.990 . 5.990 4.542 4.531 4.552 . 0 0 "[ . 1 . 2]" 1
1253 1 54 LEU H 1 60 GLU HA 5.590 . 6.590 5.406 4.870 5.600 . 0 0 "[ . 1 . 2]" 1
1254 1 54 LEU H 1 61 ILE H . . 4.870 3.708 3.300 3.950 . 0 0 "[ . 1 . 2]" 1
1255 1 54 LEU H 1 62 HIS HA . . 4.770 3.631 3.415 3.957 . 0 0 "[ . 1 . 2]" 1
1256 1 54 LEU H 1 81 LEU MD1 4.040 . 7.440 3.899 3.112 5.326 . 0 0 "[ . 1 . 2]" 1
1257 1 54 LEU HA 1 54 LEU MD1 4.000 . 4.510 2.995 2.500 3.701 . 0 0 "[ . 1 . 2]" 1
1258 1 54 LEU HA 1 54 LEU MD2 4.000 . 5.000 3.531 2.732 3.834 . 0 0 "[ . 1 . 2]" 1
1259 1 54 LEU HA 1 54 LEU HG 4.020 . 4.020 2.422 2.219 2.617 . 0 0 "[ . 1 . 2]" 1
1260 1 54 LEU HA 1 55 HIS H 2.740 . 3.740 2.233 2.223 2.243 . 0 0 "[ . 1 . 2]" 1
1261 1 54 LEU HA 1 55 HIS HD2 4.910 . 4.910 3.599 3.289 3.749 . 0 0 "[ . 1 . 2]" 1
1262 1 54 LEU QB 1 54 LEU MD1 3.000 . 5.000 2.136 1.914 2.322 . 0 0 "[ . 1 . 2]" 1
1263 1 54 LEU QB 1 54 LEU MD2 3.000 . 5.000 2.060 1.947 2.120 . 0 0 "[ . 1 . 2]" 1
1264 1 54 LEU HB2 1 54 LEU MD1 3.370 . 4.370 2.178 1.947 2.385 . 0 0 "[ . 1 . 2]" 1
1265 1 54 LEU HB2 1 55 HIS H 4.390 . 5.390 4.084 3.772 4.174 . 0 0 "[ . 1 . 2]" 1
1266 1 54 LEU HB3 1 55 HIS H 3.820 . 4.820 2.903 2.843 2.990 . 0 0 "[ . 1 . 2]" 1
1267 1 54 LEU MD1 1 62 HIS HA 5.210 . 6.210 4.814 4.052 5.762 . 0 0 "[ . 1 . 2]" 1
1268 1 54 LEU MD1 1 63 ALA H 5.030 . 7.030 4.646 3.938 5.587 . 0 0 "[ . 1 . 2]" 1
1269 1 54 LEU MD1 1 81 LEU HA 4.540 . 5.540 4.618 3.239 5.230 . 0 0 "[ . 1 . 2]" 1
1270 1 54 LEU MD1 1 81 LEU MD1 3.000 . 4.160 2.099 1.762 3.264 0.038 7 0 "[ . 1 . 2]" 1
1271 1 54 LEU MD1 1 81 LEU MD2 3.160 . 5.160 3.570 1.758 4.115 0.042 11 0 "[ . 1 . 2]" 1
1272 1 54 LEU MD2 1 55 HIS H 4.490 . 6.490 4.169 3.062 4.671 . 0 0 "[ . 1 . 2]" 1
1273 1 54 LEU MD2 1 61 ILE MD 4.000 . 6.000 3.845 3.556 4.062 . 0 0 "[ . 1 . 2]" 1
1274 1 54 LEU HG 1 55 HIS H 4.990 . 5.990 3.938 3.664 4.555 . 0 0 "[ . 1 . 2]" 1
1275 1 55 HIS H 1 55 HIS HB3 3.840 . 4.840 3.566 3.529 3.632 . 0 0 "[ . 1 . 2]" 1
1276 1 55 HIS H 1 55 HIS HD2 3.740 . 4.740 3.182 2.980 3.315 . 0 0 "[ . 1 . 2]" 1
1277 1 55 HIS H 1 56 VAL H 5.040 . 6.040 4.481 4.380 4.508 . 0 0 "[ . 1 . 2]" 1
1278 1 55 HIS H 1 60 GLU HA 5.620 . 6.620 5.292 4.997 5.471 . 0 0 "[ . 1 . 2]" 1
1279 1 55 HIS HA 1 55 HIS HD2 4.000 . 4.000 3.335 2.929 3.675 . 0 0 "[ . 1 . 2]" 1
1280 1 55 HIS HA 1 56 VAL H 2.610 . 3.610 2.175 2.135 2.201 . 0 0 "[ . 1 . 2]" 1
1281 1 55 HIS HA 1 60 GLU H 5.700 . 6.700 5.491 5.135 5.718 . 0 0 "[ . 1 . 2]" 1
1282 1 55 HIS HA 1 60 GLU HA 4.000 . 4.000 2.789 2.485 3.024 . 0 0 "[ . 1 . 2]" 1
1283 1 55 HIS HA 1 60 GLU HG2 4.780 . 4.780 2.775 2.039 3.929 . 0 0 "[ . 1 . 2]" 1
1284 1 55 HIS HA 1 60 GLU HG3 4.420 . 4.420 3.172 2.160 4.271 . 0 0 "[ . 1 . 2]" 1
1285 1 55 HIS HA 1 61 ILE H 5.000 . 5.000 3.714 3.337 3.927 . 0 0 "[ . 1 . 2]" 1
1286 1 55 HIS HB3 1 56 VAL H 3.470 . 4.470 3.223 3.069 3.577 . 0 0 "[ . 1 . 2]" 1
1287 1 55 HIS HD2 1 56 VAL H 5.700 . 6.700 5.454 5.059 5.753 . 0 0 "[ . 1 . 2]" 1
1288 1 55 HIS HD2 1 60 GLU HA 5.700 . 5.700 5.391 4.657 5.709 0.009 3 0 "[ . 1 . 2]" 1
1289 1 55 HIS HD2 1 60 GLU HG2 4.830 . 4.830 4.009 3.431 4.545 . 0 0 "[ . 1 . 2]" 1
1290 1 56 VAL H 1 57 ASN H 5.510 . 6.510 4.396 4.092 4.564 . 0 0 "[ . 1 . 2]" 1
1291 1 56 VAL H 1 58 GLY H 5.700 . 6.700 5.267 4.801 5.823 . 0 0 "[ . 1 . 2]" 1
1292 1 56 VAL H 1 59 GLY H 4.040 . 5.040 3.790 3.097 4.998 . 0 0 "[ . 1 . 2]" 1
1293 1 56 VAL H 1 59 GLY QA 5.230 . 7.230 4.404 4.048 4.738 . 0 0 "[ . 1 . 2]" 1
1294 1 56 VAL H 1 60 GLU HA 3.520 . 4.520 2.742 2.149 3.433 . 0 0 "[ . 1 . 2]" 1
1295 1 56 VAL H 1 60 GLU HB3 4.820 . 5.820 4.638 3.931 5.537 . 0 0 "[ . 1 . 2]" 1
1296 1 56 VAL H 1 60 GLU HG2 4.560 . 5.560 3.640 2.624 5.056 . 0 0 "[ . 1 . 2]" 1
1297 1 56 VAL H 1 61 ILE H 5.070 . 6.070 4.240 3.576 4.839 . 0 0 "[ . 1 . 2]" 1
1298 1 56 VAL HA 1 57 ASN H 3.490 . 4.490 2.327 2.134 2.468 . 0 0 "[ . 1 . 2]" 1
1299 1 56 VAL HA 1 59 GLY H 5.150 . 6.150 4.779 4.500 5.565 . 0 0 "[ . 1 . 2]" 1
1300 1 56 VAL HB 1 88 HIS HD2 5.700 . 5.700 5.216 4.138 5.708 0.008 5 0 "[ . 1 . 2]" 1
1301 1 56 VAL MG1 1 59 GLY H 4.500 . 7.900 3.829 2.721 5.116 . 0 0 "[ . 1 . 2]" 1
1302 1 56 VAL MG1 1 88 HIS HD2 5.640 . 8.040 3.345 2.518 4.468 . 0 0 "[ . 1 . 2]" 1
1303 1 57 ASN H 1 57 ASN QB 3.270 . 5.270 2.506 2.261 3.152 . 0 0 "[ . 1 . 2]" 1
1304 1 59 GLY H 1 60 GLU H 4.680 . 5.680 4.409 4.373 4.436 . 0 0 "[ . 1 . 2]" 1
1305 1 59 GLY H 1 60 GLU HA 5.100 . 6.100 4.794 4.661 5.139 . 0 0 "[ . 1 . 2]" 1
1306 1 59 GLY H 1 60 GLU HG2 5.320 . 6.320 5.829 5.165 6.311 . 0 0 "[ . 1 . 2]" 1
1307 1 59 GLY H 1 60 GLU HG3 4.750 . 5.750 4.378 4.051 5.329 . 0 0 "[ . 1 . 2]" 1
1308 1 59 GLY HA2 1 60 GLU H 3.090 . 4.090 2.453 2.310 2.712 . 0 0 "[ . 1 . 2]" 1
1309 1 59 GLY HA3 1 60 GLU H 3.090 . 4.090 2.688 2.410 2.868 . 0 0 "[ . 1 . 2]" 1
1310 1 60 GLU H 1 60 GLU HB2 3.880 . 4.880 2.736 2.667 2.874 . 0 0 "[ . 1 . 2]" 1
1311 1 60 GLU H 1 60 GLU HG2 4.430 . 5.430 4.556 4.036 4.867 . 0 0 "[ . 1 . 2]" 1
1312 1 60 GLU H 1 60 GLU HG3 3.490 . 4.490 3.483 3.083 3.932 . 0 0 "[ . 1 . 2]" 1
1313 1 60 GLU H 1 61 ILE H 4.550 . 5.550 4.235 4.125 4.318 . 0 0 "[ . 1 . 2]" 1
1314 1 60 GLU HA 1 60 GLU HG2 4.230 . 4.230 2.990 2.322 3.489 . 0 0 "[ . 1 . 2]" 1
1315 1 60 GLU HA 1 60 GLU HG3 3.670 . 3.670 2.568 2.177 3.179 . 0 0 "[ . 1 . 2]" 1
1316 1 60 GLU HA 1 61 ILE H 2.740 . 3.740 2.161 2.133 2.207 . 0 0 "[ . 1 . 2]" 1
1317 1 60 GLU HB3 1 61 ILE H 3.610 . 4.610 3.292 3.061 3.533 . 0 0 "[ . 1 . 2]" 1
1318 1 60 GLU HG2 1 61 ILE H 4.800 . 5.800 4.555 3.977 5.118 . 0 0 "[ . 1 . 2]" 1
1319 1 61 ILE H 1 61 ILE HB 3.210 . 4.210 2.668 2.627 2.761 . 0 0 "[ . 1 . 2]" 1
1320 1 61 ILE H 1 61 ILE MD 4.270 . 6.270 2.777 1.950 3.592 . 0 0 "[ . 1 . 2]" 1
1321 1 61 ILE H 1 61 ILE QG 3.670 . 5.670 2.562 2.320 2.972 . 0 0 "[ . 1 . 2]" 1
1322 1 61 ILE H 1 61 ILE MG 4.080 . 6.080 3.841 3.836 3.851 . 0 0 "[ . 1 . 2]" 1
1323 1 61 ILE H 1 62 HIS H 4.790 . 5.790 4.520 4.502 4.534 . 0 0 "[ . 1 . 2]" 1
1324 1 61 ILE HA 1 61 ILE MD 4.000 . 5.000 3.808 3.480 3.942 . 0 0 "[ . 1 . 2]" 1
1325 1 61 ILE HA 1 61 ILE HG12 4.130 . 4.130 3.181 2.742 3.592 . 0 0 "[ . 1 . 2]" 1
1326 1 61 ILE HA 1 61 ILE QG 3.000 . 3.600 2.515 2.432 2.569 . 0 0 "[ . 1 . 2]" 1
1327 1 61 ILE HA 1 61 ILE HG13 4.130 . 4.130 2.681 2.482 2.988 . 0 0 "[ . 1 . 2]" 1
1328 1 61 ILE HA 1 61 ILE MG 3.000 . 3.600 2.291 2.146 2.374 . 0 0 "[ . 1 . 2]" 1
1329 1 61 ILE HA 1 62 HIS H 2.730 . 3.730 2.212 2.186 2.235 . 0 0 "[ . 1 . 2]" 1
1330 1 61 ILE HB 1 62 HIS H 4.090 . 5.090 3.902 3.798 3.961 . 0 0 "[ . 1 . 2]" 1
1331 1 61 ILE MD 1 62 HIS H 4.590 . 6.590 5.109 4.989 5.217 . 0 0 "[ . 1 . 2]" 1
1332 1 61 ILE MD 1 84 GLN HG3 5.440 . 6.440 5.691 4.471 6.444 0.004 12 0 "[ . 1 . 2]" 1
1333 1 61 ILE MD 1 85 LEU HA 4.620 . 5.620 3.288 2.643 3.955 . 0 0 "[ . 1 . 2]" 1
1334 1 61 ILE MD 1 88 HIS HB2 4.630 . 5.630 4.758 4.017 5.213 . 0 0 "[ . 1 . 2]" 1
1335 1 61 ILE MD 1 88 HIS HB3 4.170 . 5.170 4.219 3.387 4.854 . 0 0 "[ . 1 . 2]" 1
1336 1 61 ILE MD 1 88 HIS HD2 5.700 . 6.700 4.855 4.040 5.503 . 0 0 "[ . 1 . 2]" 1
1337 1 61 ILE QG 1 61 ILE MG 3.000 . 5.000 2.074 1.938 2.274 . 0 0 "[ . 1 . 2]" 1
1338 1 61 ILE QG 1 85 LEU MD1 4.550 . 7.950 4.504 3.661 5.802 . 0 0 "[ . 1 . 2]" 1
1339 1 61 ILE MG 1 62 HIS H 3.380 . 5.380 2.236 2.011 2.473 . 0 0 "[ . 1 . 2]" 1
1340 1 61 ILE MG 1 81 LEU HA 3.910 . 4.910 4.254 3.616 4.800 . 0 0 "[ . 1 . 2]" 1
1341 1 61 ILE MG 1 84 GLN H 4.930 . 6.930 5.717 4.729 6.321 . 0 0 "[ . 1 . 2]" 1
1342 1 61 ILE MG 1 84 GLN HG3 3.860 . 4.860 3.842 2.293 4.673 . 0 0 "[ . 1 . 2]" 1
1343 1 62 HIS H 1 62 HIS QB 3.210 . 5.210 2.621 2.576 2.647 . 0 0 "[ . 1 . 2]" 1
1344 1 62 HIS H 1 62 HIS HD2 5.410 . 6.410 4.966 4.861 5.195 . 0 0 "[ . 1 . 2]" 1
1345 1 62 HIS H 1 63 ALA H 4.480 . 5.480 4.078 4.059 4.098 . 0 0 "[ . 1 . 2]" 1
1346 1 62 HIS HA 1 62 HIS HD2 4.000 . 4.000 2.555 2.283 2.979 . 0 0 "[ . 1 . 2]" 1
1347 1 62 HIS HA 1 63 ALA H 2.620 . 3.620 2.156 2.147 2.165 . 0 0 "[ . 1 . 2]" 1
1348 1 62 HIS HA 1 63 ALA MB 4.790 . 5.790 4.017 3.987 4.060 . 0 0 "[ . 1 . 2]" 1
1349 1 62 HIS HA 1 81 LEU MD1 4.480 . 6.880 4.436 4.029 5.607 . 0 0 "[ . 1 . 2]" 1
1350 1 62 HIS HD2 1 63 ALA H 3.860 . 4.860 2.507 2.291 3.129 . 0 0 "[ . 1 . 2]" 1
1351 1 62 HIS HD2 1 63 ALA HA 5.700 . 5.700 4.045 3.392 5.193 . 0 0 "[ . 1 . 2]" 1
1352 1 62 HIS HD2 1 63 ALA MB 5.700 . 6.700 4.372 4.066 5.036 . 0 0 "[ . 1 . 2]" 1
1353 1 62 HIS HD2 1 81 LEU MD1 5.640 . 8.040 5.139 4.811 5.587 . 0 0 "[ . 1 . 2]" 1
1354 1 63 ALA H 1 63 ALA MB 3.160 . 5.160 2.446 2.334 2.577 . 0 0 "[ . 1 . 2]" 1
1355 1 63 ALA H 1 64 SER H 4.740 . 5.740 4.475 4.432 4.508 . 0 0 "[ . 1 . 2]" 1
1356 1 63 ALA H 1 64 SER HA 5.370 . 6.370 4.918 4.816 5.020 . 0 0 "[ . 1 . 2]" 1
1357 1 63 ALA H 1 77 LEU MD1 3.880 . 7.280 4.181 3.744 4.924 . 0 0 "[ . 1 . 2]" 1
1358 1 63 ALA H 1 81 LEU HA 5.650 . 6.650 6.217 5.543 6.497 . 0 0 "[ . 1 . 2]" 1
1359 1 63 ALA H 1 81 LEU HB3 5.700 . 6.700 6.718 6.592 6.759 0.059 4 0 "[ . 1 . 2]" 1
1360 1 63 ALA H 1 81 LEU MD1 3.480 . 6.880 3.304 3.049 4.044 . 0 0 "[ . 1 . 2]" 1
1361 1 63 ALA H 1 81 LEU HG 4.690 . 5.690 5.064 4.227 5.393 . 0 0 "[ . 1 . 2]" 1
1362 1 63 ALA HA 1 64 SER H 2.690 . 3.690 2.358 2.288 2.436 . 0 0 "[ . 1 . 2]" 1
1363 1 63 ALA HA 1 64 SER QB 4.750 . 5.750 4.124 3.851 4.470 . 0 0 "[ . 1 . 2]" 1
1364 1 63 ALA HA 1 77 LEU MD1 4.680 . 7.080 4.752 3.588 5.721 . 0 0 "[ . 1 . 2]" 1
1365 1 63 ALA HA 1 81 LEU MD1 4.690 . 7.090 4.816 4.134 5.153 . 0 0 "[ . 1 . 2]" 1
1366 1 63 ALA MB 1 64 SER H 3.080 . 5.080 2.577 2.309 2.742 . 0 0 "[ . 1 . 2]" 1
1367 1 63 ALA MB 1 64 SER HA 4.650 . 5.650 3.868 3.831 3.949 . 0 0 "[ . 1 . 2]" 1
1368 1 63 ALA MB 1 77 LEU HA 4.360 . 5.360 4.351 3.788 5.035 . 0 0 "[ . 1 . 2]" 1
1369 1 63 ALA MB 1 77 LEU MD1 3.420 . 6.820 2.960 1.882 3.953 . 0 0 "[ . 1 . 2]" 1
1370 1 63 ALA MB 1 77 LEU HG 4.890 . 5.890 4.641 3.119 5.721 . 0 0 "[ . 1 . 2]" 1
1371 1 63 ALA MB 1 80 LYS H 4.820 . 6.820 5.652 4.736 6.182 . 0 0 "[ . 1 . 2]" 1
1372 1 63 ALA MB 1 80 LYS HA 5.250 . 6.250 5.893 4.807 6.260 0.010 9 0 "[ . 1 . 2]" 1
1373 1 63 ALA MB 1 80 LYS QB 3.470 . 4.470 3.836 2.533 4.492 0.022 7 0 "[ . 1 . 2]" 1
1374 1 63 ALA MB 1 80 LYS HD2 3.620 . 4.620 3.045 1.842 4.163 . 0 0 "[ . 1 . 2]" 1
1375 1 63 ALA MB 1 80 LYS HD3 4.350 . 5.350 3.759 2.700 4.917 . 0 0 "[ . 1 . 2]" 1
1376 1 63 ALA MB 1 80 LYS HE2 5.360 . 6.360 5.146 3.851 6.365 0.005 4 0 "[ . 1 . 2]" 1
1377 1 63 ALA MB 1 80 LYS HE3 5.630 . 6.630 4.506 2.715 5.872 . 0 0 "[ . 1 . 2]" 1
1378 1 63 ALA MB 1 80 LYS QG 4.620 . 6.620 4.056 2.576 5.306 . 0 0 "[ . 1 . 2]" 1
1379 1 63 ALA MB 1 81 LEU H 3.970 . 5.970 4.501 3.737 4.890 . 0 0 "[ . 1 . 2]" 1
1380 1 63 ALA MB 1 81 LEU HA 4.380 . 5.380 3.721 3.309 3.946 . 0 0 "[ . 1 . 2]" 1
1381 1 63 ALA MB 1 81 LEU MD1 2.930 . 6.330 2.350 1.794 2.752 0.006 13 0 "[ . 1 . 2]" 1
1382 1 63 ALA MB 1 81 LEU MD2 4.380 . 6.380 2.057 1.723 3.858 0.077 8 0 "[ . 1 . 2]" 1
1383 1 63 ALA MB 1 81 LEU HG 4.070 . 5.070 3.488 2.154 4.058 . 0 0 "[ . 1 . 2]" 1
1384 1 63 ALA MB 1 84 GLN HG3 4.570 . 5.570 4.162 3.621 4.646 . 0 0 "[ . 1 . 2]" 1
1385 1 64 SER H 1 64 SER QB 3.550 . 5.550 2.880 2.628 3.238 . 0 0 "[ . 1 . 2]" 1
1386 1 64 SER H 1 65 ALA H 4.530 . 5.530 4.271 4.079 4.397 . 0 0 "[ . 1 . 2]" 1
1387 1 64 SER H 1 65 ALA HA 4.980 . 5.980 4.735 4.618 4.830 . 0 0 "[ . 1 . 2]" 1
1388 1 64 SER H 1 65 ALA MB 4.900 . 6.900 4.501 4.206 4.665 . 0 0 "[ . 1 . 2]" 1
1389 1 64 SER H 1 77 LEU MD1 3.800 . 7.200 3.983 2.847 5.309 . 0 0 "[ . 1 . 2]" 1
1390 1 64 SER H 1 80 LYS HD2 4.170 . 5.170 4.362 3.222 5.174 0.004 4 0 "[ . 1 . 2]" 1
1391 1 64 SER H 1 80 LYS HD3 4.780 . 5.780 5.152 4.101 5.788 0.008 3 0 "[ . 1 . 2]" 1
1392 1 64 SER H 1 80 LYS HE3 5.510 . 6.510 5.003 3.260 6.251 . 0 0 "[ . 1 . 2]" 1
1393 1 64 SER H 1 81 LEU MD1 5.240 . 8.640 5.483 4.466 6.100 . 0 0 "[ . 1 . 2]" 1
1394 1 64 SER HA 1 65 ALA H 2.700 . 3.700 2.234 2.147 2.318 . 0 0 "[ . 1 . 2]" 1
1395 1 64 SER HA 1 65 ALA MB 4.410 . 5.410 3.875 3.768 4.023 . 0 0 "[ . 1 . 2]" 1
1396 1 64 SER HA 1 77 LEU MD1 3.480 . 5.880 2.665 1.942 4.166 . 0 0 "[ . 1 . 2]" 1
1397 1 64 SER QB 1 65 ALA H 4.100 . 6.100 3.180 2.664 3.755 . 0 0 "[ . 1 . 2]" 1
1398 1 64 SER QB 1 65 ALA HA 5.220 . 6.220 4.282 3.987 4.577 . 0 0 "[ . 1 . 2]" 1
1399 1 64 SER QB 1 77 LEU MD1 4.500 . 7.900 4.248 3.698 5.703 . 0 0 "[ . 1 . 2]" 1
1400 1 65 ALA H 1 65 ALA MB 3.080 . 5.080 2.565 2.284 2.689 . 0 0 "[ . 1 . 2]" 1
1401 1 65 ALA H 1 66 GLU H 4.690 . 5.690 4.432 4.269 4.518 . 0 0 "[ . 1 . 2]" 1
1402 1 65 ALA H 1 77 LEU H 5.070 . 6.070 5.384 4.705 5.834 . 0 0 "[ . 1 . 2]" 1
1403 1 65 ALA H 1 77 LEU HA 4.520 . 5.520 4.263 3.832 4.870 . 0 0 "[ . 1 . 2]" 1
1404 1 65 ALA H 1 77 LEU HB2 4.060 . 5.060 3.131 2.397 3.647 . 0 0 "[ . 1 . 2]" 1
1405 1 65 ALA H 1 77 LEU HB3 4.570 . 5.570 4.733 4.051 5.265 . 0 0 "[ . 1 . 2]" 1
1406 1 65 ALA H 1 77 LEU MD1 3.370 . 6.770 2.835 1.948 4.634 . 0 0 "[ . 1 . 2]" 1
1407 1 65 ALA H 1 80 LYS HD2 5.190 . 6.190 5.495 4.866 6.197 0.007 18 0 "[ . 1 . 2]" 1
1408 1 65 ALA H 1 80 LYS HE3 5.070 . 6.070 5.224 3.673 6.088 0.018 3 0 "[ . 1 . 2]" 1
1409 1 65 ALA HA 1 66 GLU H 2.790 . 3.790 2.342 2.159 2.460 . 0 0 "[ . 1 . 2]" 1
1410 1 65 ALA HA 1 66 GLU QB 4.750 . 5.750 4.302 4.039 4.417 . 0 0 "[ . 1 . 2]" 1
1411 1 65 ALA HA 1 77 LEU H 5.540 . 6.540 5.602 5.246 5.862 . 0 0 "[ . 1 . 2]" 1
1412 1 65 ALA HA 1 77 LEU HA 5.700 . 5.700 4.637 4.414 4.982 . 0 0 "[ . 1 . 2]" 1
1413 1 65 ALA HA 1 77 LEU HB2 4.700 . 4.700 4.504 4.199 4.717 0.017 14 0 "[ . 1 . 2]" 1
1414 1 65 ALA HA 1 77 LEU MD1 4.880 . 7.280 4.492 3.708 6.124 . 0 0 "[ . 1 . 2]" 1
1415 1 65 ALA HA 1 80 LYS HE3 4.000 . 4.000 3.660 3.019 4.021 0.021 18 0 "[ . 1 . 2]" 1
1416 1 65 ALA MB 1 66 GLU H 2.870 . 4.870 2.571 2.356 3.032 . 0 0 "[ . 1 . 2]" 1
1417 1 65 ALA MB 1 66 GLU HA 4.570 . 5.570 3.955 3.810 4.136 . 0 0 "[ . 1 . 2]" 1
1418 1 65 ALA MB 1 76 GLY H 4.020 . 6.020 4.002 3.542 4.328 . 0 0 "[ . 1 . 2]" 1
1419 1 65 ALA MB 1 76 GLY HA3 3.490 . 4.490 3.103 2.550 3.490 . 0 0 "[ . 1 . 2]" 1
1420 1 65 ALA MB 1 77 LEU H 2.980 . 4.980 2.635 2.262 2.881 . 0 0 "[ . 1 . 2]" 1
1421 1 65 ALA MB 1 77 LEU HA 2.980 . 3.980 1.996 1.821 2.372 . 0 0 "[ . 1 . 2]" 1
1422 1 65 ALA MB 1 77 LEU HB2 3.470 . 4.470 1.922 1.827 2.127 . 0 0 "[ . 1 . 2]" 1
1423 1 65 ALA MB 1 77 LEU HB3 3.780 . 4.780 3.226 2.999 3.471 . 0 0 "[ . 1 . 2]" 1
1424 1 65 ALA MB 1 77 LEU MD1 3.390 . 6.790 2.633 1.952 3.961 . 0 0 "[ . 1 . 2]" 1
1425 1 65 ALA MB 1 80 LYS HD2 3.880 . 4.880 3.266 2.546 4.383 . 0 0 "[ . 1 . 2]" 1
1426 1 65 ALA MB 1 80 LYS HE3 3.200 . 4.200 2.532 1.919 3.395 . 0 0 "[ . 1 . 2]" 1
1427 1 66 GLU H 1 66 GLU QB 3.370 . 5.370 3.011 2.503 3.242 . 0 0 "[ . 1 . 2]" 1
1428 1 66 GLU H 1 66 GLU QG 3.460 . 5.460 2.327 1.980 3.640 . 0 0 "[ . 1 . 2]" 1
1429 1 66 GLU H 1 67 GLY H 4.750 . 5.750 4.452 4.397 4.548 . 0 0 "[ . 1 . 2]" 1
1430 1 66 GLU H 1 73 ALA HA 4.380 . 5.380 4.202 3.752 4.498 . 0 0 "[ . 1 . 2]" 1
1431 1 66 GLU H 1 76 GLY HA3 4.970 . 5.970 5.046 4.541 5.506 . 0 0 "[ . 1 . 2]" 1
1432 1 66 GLU H 1 77 LEU HB2 5.700 . 6.700 5.259 4.762 5.852 . 0 0 "[ . 1 . 2]" 1
1433 1 66 GLU H 1 80 LYS HE3 5.220 . 6.220 4.954 3.875 5.842 . 0 0 "[ . 1 . 2]" 1
1434 1 66 GLU HA 1 67 GLY H 2.690 . 3.690 2.359 2.263 2.475 . 0 0 "[ . 1 . 2]" 1
1435 1 66 GLU HA 1 73 ALA HA 4.520 . 4.520 3.166 2.404 3.652 . 0 0 "[ . 1 . 2]" 1
1436 1 66 GLU HA 1 73 ALA MB 4.000 . 4.540 2.555 2.122 3.053 . 0 0 "[ . 1 . 2]" 1
1437 1 66 GLU QB 1 67 GLY H 3.100 . 5.100 2.558 2.340 2.784 . 0 0 "[ . 1 . 2]" 1
1438 1 66 GLU QG 1 67 GLY H 3.950 . 5.950 3.884 3.374 4.240 . 0 0 "[ . 1 . 2]" 1
1439 1 67 GLY H 1 68 GLN H 4.700 . 5.700 3.924 2.477 4.407 . 0 0 "[ . 1 . 2]" 1
1440 1 67 GLY H 1 69 ASP H 4.790 . 5.790 4.255 3.947 4.468 . 0 0 "[ . 1 . 2]" 1
1441 1 67 GLY H 1 72 ALA MB 4.620 . 6.620 4.017 3.229 4.598 . 0 0 "[ . 1 . 2]" 1
1442 1 67 GLY H 1 73 ALA H 4.410 . 5.410 4.119 3.905 4.418 . 0 0 "[ . 1 . 2]" 1
1443 1 67 GLY H 1 73 ALA MB 3.200 . 5.200 2.884 2.488 3.270 . 0 0 "[ . 1 . 2]" 1
1444 1 67 GLY HA2 1 68 GLN H 3.330 . 4.330 2.728 2.305 3.562 . 0 0 "[ . 1 . 2]" 1
1445 1 67 GLY HA2 1 72 ALA MB 3.620 . 4.620 3.201 2.579 3.722 . 0 0 "[ . 1 . 2]" 1
1446 1 67 GLY HA2 1 73 ALA H 4.980 . 5.980 4.891 4.279 5.710 . 0 0 "[ . 1 . 2]" 1
1447 1 67 GLY HA2 1 73 ALA HA 4.750 . 4.750 4.262 3.661 4.785 0.035 16 0 "[ . 1 . 2]" 1
1448 1 67 GLY HA2 1 73 ALA MB 4.680 . 5.680 4.662 4.062 5.327 . 0 0 "[ . 1 . 2]" 1
1449 1 67 GLY HA3 1 68 GLN H 3.440 . 4.440 2.630 2.165 2.845 . 0 0 "[ . 1 . 2]" 1
1450 1 67 GLY HA3 1 69 ASP H 3.340 . 4.340 3.247 2.999 3.865 . 0 0 "[ . 1 . 2]" 1
1451 1 67 GLY HA3 1 72 ALA H 4.910 . 5.910 4.697 4.036 5.438 . 0 0 "[ . 1 . 2]" 1
1452 1 67 GLY HA3 1 72 ALA MB 3.310 . 4.310 2.050 1.879 2.402 . 0 0 "[ . 1 . 2]" 1
1453 1 67 GLY HA3 1 73 ALA H 3.250 . 4.250 3.190 2.531 4.109 . 0 0 "[ . 1 . 2]" 1
1454 1 68 GLN H 1 68 GLN HB3 3.520 . 4.520 2.712 2.478 3.374 . 0 0 "[ . 1 . 2]" 1
1455 1 68 GLN H 1 68 GLN HG2 5.410 . 6.410 4.661 4.475 5.319 . 0 0 "[ . 1 . 2]" 1
1456 1 68 GLN H 1 68 GLN QG 4.700 . 6.700 4.088 3.961 4.476 . 0 0 "[ . 1 . 2]" 1
1457 1 68 GLN H 1 68 GLN HG3 5.410 . 6.410 4.547 4.395 5.157 . 0 0 "[ . 1 . 2]" 1
1458 1 68 GLN H 1 69 ASP H 3.470 . 4.470 2.427 1.708 2.821 0.092 11 0 "[ . 1 . 2]" 1
1459 1 68 GLN H 1 72 ALA H 5.510 . 6.510 4.974 3.996 5.703 . 0 0 "[ . 1 . 2]" 1
1460 1 68 GLN H 1 72 ALA MB 3.730 . 5.730 2.362 1.858 2.793 . 0 0 "[ . 1 . 2]" 1
1461 1 68 GLN HA 1 68 GLN QG 3.400 . 4.400 2.689 2.386 2.999 . 0 0 "[ . 1 . 2]" 1
1462 1 68 GLN HA 1 69 ASP H 3.650 . 4.650 3.428 3.390 3.478 . 0 0 "[ . 1 . 2]" 1
1463 1 68 GLN HB2 1 69 ASP H 4.500 . 5.500 4.184 3.918 4.292 . 0 0 "[ . 1 . 2]" 1
1464 1 68 GLN HB3 1 69 ASP H 3.840 . 4.840 3.204 3.018 3.319 . 0 0 "[ . 1 . 2]" 1
1465 1 68 GLN HB3 1 72 ALA MB 4.760 . 5.760 3.205 2.941 3.344 . 0 0 "[ . 1 . 2]" 1
1466 1 68 GLN QG 1 72 ALA MB 4.000 . 6.000 4.480 4.365 4.533 . 0 0 "[ . 1 . 2]" 1
1467 1 69 ASP H 1 69 ASP HB2 4.110 . 5.110 3.875 3.802 3.959 . 0 0 "[ . 1 . 2]" 1
1468 1 69 ASP H 1 69 ASP HB3 4.060 . 5.060 3.518 3.336 3.612 . 0 0 "[ . 1 . 2]" 1
1469 1 69 ASP H 1 70 MET H 4.640 . 5.640 4.379 4.362 4.394 . 0 0 "[ . 1 . 2]" 1
1470 1 69 ASP H 1 70 MET HA 5.660 . 6.660 5.000 4.944 5.079 . 0 0 "[ . 1 . 2]" 1
1471 1 69 ASP H 1 71 TYR H 4.790 . 5.790 4.686 4.173 5.436 . 0 0 "[ . 1 . 2]" 1
1472 1 69 ASP H 1 72 ALA H 3.670 . 4.670 3.313 3.027 3.713 . 0 0 "[ . 1 . 2]" 1
1473 1 69 ASP H 1 72 ALA HA 5.700 . 6.700 4.778 4.499 4.931 . 0 0 "[ . 1 . 2]" 1
1474 1 69 ASP H 1 72 ALA MB 2.730 . 4.730 1.957 1.843 2.168 . 0 0 "[ . 1 . 2]" 1
1475 1 69 ASP H 1 73 ALA MB 4.510 . 6.510 4.208 3.922 4.426 . 0 0 "[ . 1 . 2]" 1
1476 1 69 ASP HA 1 70 MET H 3.530 . 4.530 2.538 2.452 2.569 . 0 0 "[ . 1 . 2]" 1
1477 1 69 ASP HA 1 71 TYR H 4.460 . 5.460 4.430 4.075 4.932 . 0 0 "[ . 1 . 2]" 1
1478 1 69 ASP HA 1 73 ALA H 5.510 . 6.510 5.115 4.891 5.262 . 0 0 "[ . 1 . 2]" 1
1479 1 69 ASP HB2 1 70 MET H 3.450 . 4.450 2.170 2.120 2.337 . 0 0 "[ . 1 . 2]" 1
1480 1 69 ASP HB2 1 71 TYR H 3.630 . 4.630 2.851 2.465 3.502 . 0 0 "[ . 1 . 2]" 1
1481 1 69 ASP HB2 1 72 ALA H 4.090 . 5.090 3.704 3.464 3.957 . 0 0 "[ . 1 . 2]" 1
1482 1 69 ASP HB2 1 73 ALA H 5.660 . 6.660 5.418 5.163 5.564 . 0 0 "[ . 1 . 2]" 1
1483 1 69 ASP HB3 1 70 MET H 3.970 . 4.970 3.518 3.447 3.661 . 0 0 "[ . 1 . 2]" 1
1484 1 69 ASP HB3 1 71 TYR H 4.420 . 5.420 4.424 4.090 4.950 . 0 0 "[ . 1 . 2]" 1
1485 1 69 ASP HB3 1 72 ALA H 4.600 . 5.600 4.504 4.389 4.638 . 0 0 "[ . 1 . 2]" 1
1486 1 70 MET H 1 70 MET HB2 3.660 . 4.660 2.368 2.248 2.449 . 0 0 "[ . 1 . 2]" 1
1487 1 70 MET H 1 70 MET HB3 3.670 . 4.670 2.699 2.596 2.846 . 0 0 "[ . 1 . 2]" 1
1488 1 70 MET H 1 70 MET HG2 5.420 . 6.420 4.538 4.233 4.640 . 0 0 "[ . 1 . 2]" 1
1489 1 70 MET H 1 70 MET QG 4.690 . 6.690 3.985 3.844 4.056 . 0 0 "[ . 1 . 2]" 1
1490 1 70 MET H 1 70 MET HG3 5.420 . 6.420 4.425 4.319 4.521 . 0 0 "[ . 1 . 2]" 1
1491 1 70 MET H 1 71 TYR H 3.550 . 4.550 2.748 2.628 2.970 . 0 0 "[ . 1 . 2]" 1
1492 1 70 MET HA 1 71 TYR H 3.740 . 4.740 3.486 3.405 3.570 . 0 0 "[ . 1 . 2]" 1
1493 1 70 MET HA 1 73 ALA MB 3.780 . 4.780 3.103 2.765 3.427 . 0 0 "[ . 1 . 2]" 1
1494 1 70 MET HA 1 74 ILE MD 5.380 . 6.380 4.879 4.692 5.251 . 0 0 "[ . 1 . 2]" 1
1495 1 70 MET HB3 1 71 TYR H 3.460 . 4.460 2.791 2.184 3.239 . 0 0 "[ . 1 . 2]" 1
1496 1 70 MET HB3 1 71 TYR HD1 5.700 . 5.700 4.541 2.935 5.107 . 0 0 "[ . 1 . 2]" 1
1497 1 70 MET HB3 1 71 TYR HE1 5.700 . 5.700 5.190 4.214 5.685 . 0 0 "[ . 1 . 2]" 1
1498 1 70 MET QG 1 71 TYR H 4.750 . 6.750 4.053 3.540 4.493 . 0 0 "[ . 1 . 2]" 1
1499 1 70 MET QG 1 71 TYR HE1 5.540 . 6.540 5.201 4.432 6.535 . 0 0 "[ . 1 . 2]" 1
1500 1 70 MET QG 1 74 ILE QG 4.780 . 5.670 3.483 3.044 4.298 . 0 0 "[ . 1 . 2]" 1
1501 1 71 TYR H 1 71 TYR HB2 2.830 . 3.830 2.396 2.064 2.635 . 0 0 "[ . 1 . 2]" 1
1502 1 71 TYR H 1 71 TYR HD1 4.190 . 5.190 3.978 2.559 4.402 . 0 0 "[ . 1 . 2]" 1
1503 1 71 TYR H 1 71 TYR HE1 5.700 . 6.700 5.599 4.984 5.884 . 0 0 "[ . 1 . 2]" 1
1504 1 71 TYR H 1 72 ALA H 2.910 . 3.910 2.487 2.245 2.827 . 0 0 "[ . 1 . 2]" 1
1505 1 71 TYR H 1 73 ALA H 4.410 . 5.410 4.186 3.849 4.619 . 0 0 "[ . 1 . 2]" 1
1506 1 71 TYR H 1 73 ALA MB 5.250 . 7.250 4.883 4.615 5.224 . 0 0 "[ . 1 . 2]" 1
1507 1 71 TYR H 1 74 ILE H 5.300 . 6.300 4.949 4.842 5.086 . 0 0 "[ . 1 . 2]" 1
1508 1 71 TYR HA 1 71 TYR HD1 3.940 . 3.940 2.274 1.996 2.701 . 0 0 "[ . 1 . 2]" 1
1509 1 71 TYR HA 1 71 TYR QD 3.000 . 5.000 2.265 1.993 2.676 . 0 0 "[ . 1 . 2]" 1
1510 1 71 TYR HA 1 71 TYR HE1 4.890 . 4.890 4.498 4.259 4.843 . 0 0 "[ . 1 . 2]" 1
1511 1 71 TYR HA 1 71 TYR QE 4.000 . 6.000 4.362 4.139 4.640 . 0 0 "[ . 1 . 2]" 1
1512 1 71 TYR HA 1 73 ALA H 5.040 . 6.040 4.592 4.459 4.730 . 0 0 "[ . 1 . 2]" 1
1513 1 71 TYR HA 1 74 ILE H 3.870 . 4.870 3.606 3.468 3.705 . 0 0 "[ . 1 . 2]" 1
1514 1 71 TYR HA 1 74 ILE HB 3.970 . 3.970 3.208 2.880 3.456 . 0 0 "[ . 1 . 2]" 1
1515 1 71 TYR HA 1 74 ILE MD 4.890 . 5.890 4.692 4.307 5.086 . 0 0 "[ . 1 . 2]" 1
1516 1 71 TYR HA 1 74 ILE QG 4.900 . 4.900 3.043 2.659 3.464 . 0 0 "[ . 1 . 2]" 1
1517 1 71 TYR HA 1 74 ILE MG 4.690 . 5.690 4.467 4.175 4.736 . 0 0 "[ . 1 . 2]" 1
1518 1 71 TYR QB 1 71 TYR QE 4.000 . 7.400 3.952 3.938 3.963 . 0 0 "[ . 1 . 2]" 1
1519 1 71 TYR HB2 1 72 ALA H 3.230 . 4.230 2.747 2.617 3.109 . 0 0 "[ . 1 . 2]" 1
1520 1 71 TYR HD1 1 74 ILE HB 5.700 . 5.700 4.593 4.014 5.698 . 0 0 "[ . 1 . 2]" 1
1521 1 72 ALA H 1 72 ALA MB 2.600 . 4.600 2.134 2.038 2.237 . 0 0 "[ . 1 . 2]" 1
1522 1 72 ALA H 1 73 ALA H 3.170 . 4.170 2.734 2.581 2.912 . 0 0 "[ . 1 . 2]" 1
1523 1 72 ALA H 1 73 ALA MB 4.760 . 6.760 4.327 4.191 4.481 . 0 0 "[ . 1 . 2]" 1
1524 1 72 ALA HA 1 73 ALA HA 5.160 . 5.160 4.849 4.817 4.872 . 0 0 "[ . 1 . 2]" 1
1525 1 72 ALA HA 1 74 ILE H 4.440 . 5.440 4.130 3.965 4.288 . 0 0 "[ . 1 . 2]" 1
1526 1 72 ALA HA 1 75 ASP H 3.520 . 4.520 3.232 3.158 3.453 . 0 0 "[ . 1 . 2]" 1
1527 1 72 ALA HA 1 75 ASP HB2 3.520 . 3.520 2.565 2.188 3.460 . 0 0 "[ . 1 . 2]" 1
1528 1 72 ALA HA 1 75 ASP HB3 4.060 . 4.060 3.418 2.798 3.874 . 0 0 "[ . 1 . 2]" 1
1529 1 72 ALA HA 1 76 GLY H 4.710 . 5.710 4.207 4.052 4.464 . 0 0 "[ . 1 . 2]" 1
1530 1 72 ALA MB 1 73 ALA H 2.980 . 4.980 2.480 2.216 2.728 . 0 0 "[ . 1 . 2]" 1
1531 1 72 ALA MB 1 73 ALA MB 3.930 . 4.930 3.727 3.610 3.875 . 0 0 "[ . 1 . 2]" 1
1532 1 72 ALA MB 1 74 ILE H 4.570 . 6.570 4.372 4.211 4.534 . 0 0 "[ . 1 . 2]" 1
1533 1 72 ALA MB 1 75 ASP H 4.810 . 6.810 4.363 4.286 4.660 . 0 0 "[ . 1 . 2]" 1
1534 1 72 ALA MB 1 75 ASP HB2 4.510 . 5.510 4.087 3.737 4.868 . 0 0 "[ . 1 . 2]" 1
1535 1 72 ALA MB 1 75 ASP HB3 4.890 . 5.890 4.369 3.942 4.840 . 0 0 "[ . 1 . 2]" 1
1536 1 73 ALA H 1 73 ALA MB 2.690 . 4.690 2.149 2.054 2.235 . 0 0 "[ . 1 . 2]" 1
1537 1 73 ALA H 1 74 ILE H 3.080 . 4.080 2.775 2.733 2.806 . 0 0 "[ . 1 . 2]" 1
1538 1 73 ALA H 1 74 ILE QG . . 5.570 4.189 4.041 4.390 . 0 0 "[ . 1 . 2]" 1
1539 1 73 ALA H 1 75 ASP H 4.580 . 5.580 4.127 3.975 4.578 . 0 0 "[ . 1 . 2]" 1
1540 1 73 ALA HA 1 76 GLY H 4.170 . 5.170 3.891 3.640 4.006 . 0 0 "[ . 1 . 2]" 1
1541 1 73 ALA HA 1 76 GLY HA3 5.190 . 5.190 4.673 4.423 4.781 . 0 0 "[ . 1 . 2]" 1
1542 1 73 ALA MB 1 74 ILE H 3.020 . 5.020 2.699 2.571 2.788 . 0 0 "[ . 1 . 2]" 1
1543 1 73 ALA MB 1 74 ILE HA 4.130 . 5.130 3.828 3.741 3.912 . 0 0 "[ . 1 . 2]" 1
1544 1 73 ALA MB 1 74 ILE MD 4.100 . 6.100 3.150 3.029 3.391 . 0 0 "[ . 1 . 2]" 1
1545 1 73 ALA MB 1 74 ILE QG 4.810 . 5.810 3.120 2.961 3.384 . 0 0 "[ . 1 . 2]" 1
1546 1 73 ALA MB 1 75 ASP H 4.930 . 6.930 4.479 4.384 4.830 . 0 0 "[ . 1 . 2]" 1
1547 1 74 ILE H 1 74 ILE HB 2.770 . 3.770 2.563 2.484 2.624 . 0 0 "[ . 1 . 2]" 1
1548 1 74 ILE H 1 74 ILE QG 3.800 . 4.290 2.136 2.004 2.342 . 0 0 "[ . 1 . 2]" 1
1549 1 74 ILE H 1 75 ASP H 3.050 . 4.050 2.463 2.391 2.667 . 0 0 "[ . 1 . 2]" 1
1550 1 74 ILE H 1 75 ASP HB2 4.600 . 5.600 4.375 4.199 4.859 . 0 0 "[ . 1 . 2]" 1
1551 1 74 ILE HA 1 74 ILE MD 4.000 . 4.680 2.049 1.941 2.256 . 0 0 "[ . 1 . 2]" 1
1552 1 74 ILE HA 1 74 ILE QG . . 3.980 2.959 2.892 3.018 . 0 0 "[ . 1 . 2]" 1
1553 1 74 ILE HA 1 74 ILE MG 3.000 . 3.600 2.315 2.227 2.390 . 0 0 "[ . 1 . 2]" 1
1554 1 74 ILE HA 1 77 LEU HB2 4.060 . 4.060 3.548 3.172 4.064 0.004 16 0 "[ . 1 . 2]" 1
1555 1 74 ILE HA 1 77 LEU HB3 3.690 . 3.690 2.372 2.032 3.003 . 0 0 "[ . 1 . 2]" 1
1556 1 74 ILE HA 1 77 LEU MD1 4.240 . 6.640 4.634 3.600 5.148 . 0 0 "[ . 1 . 2]" 1
1557 1 74 ILE HA 1 78 ILE H 4.180 . 5.180 3.600 3.316 3.892 . 0 0 "[ . 1 . 2]" 1
1558 1 74 ILE HB 1 74 ILE MD 3.000 . 4.000 3.224 3.215 3.230 . 0 0 "[ . 1 . 2]" 1
1559 1 74 ILE HB 1 75 ASP H 3.240 . 4.240 2.857 2.387 3.053 . 0 0 "[ . 1 . 2]" 1
1560 1 74 ILE MD 1 77 LEU HB3 3.990 . 4.990 3.533 3.160 4.169 . 0 0 "[ . 1 . 2]" 1
1561 1 74 ILE MD 1 78 ILE HB 5.100 . 6.100 5.465 4.288 6.104 0.004 8 0 "[ . 1 . 2]" 1
1562 1 74 ILE MD 1 78 ILE MD 5.000 . 7.000 4.181 3.845 4.598 . 0 0 "[ . 1 . 2]" 1
1563 1 74 ILE QG 1 74 ILE MG 3.000 . 4.430 2.268 2.144 2.373 . 0 0 "[ . 1 . 2]" 1
1564 1 74 ILE QG 1 75 ASP H 4.690 . 5.690 4.006 3.805 4.182 . 0 0 "[ . 1 . 2]" 1
1565 1 74 ILE MG 1 75 ASP H 3.990 . 5.990 3.729 3.399 3.883 . 0 0 "[ . 1 . 2]" 1
1566 1 74 ILE MG 1 75 ASP HA 4.060 . 5.060 3.742 3.536 3.881 . 0 0 "[ . 1 . 2]" 1
1567 1 74 ILE MG 1 76 GLY H 5.650 . 7.650 5.395 5.221 5.508 . 0 0 "[ . 1 . 2]" 1
1568 1 74 ILE MG 1 78 ILE H 4.110 . 6.110 3.615 3.391 3.855 . 0 0 "[ . 1 . 2]" 1
1569 1 74 ILE MG 1 78 ILE HB 4.830 . 5.830 3.234 2.328 3.785 . 0 0 "[ . 1 . 2]" 1
1570 1 74 ILE MG 1 78 ILE MD 4.000 . 6.000 3.030 2.799 3.248 . 0 0 "[ . 1 . 2]" 1
1571 1 74 ILE MG 1 78 ILE HG13 4.760 . 5.760 3.021 2.022 4.982 . 0 0 "[ . 1 . 2]" 1
1572 1 74 ILE MG 1 79 ASP H 5.700 . 7.700 5.553 5.362 5.808 . 0 0 "[ . 1 . 2]" 1
1573 1 75 ASP H 1 75 ASP HB2 2.810 . 3.810 2.184 2.070 2.383 . 0 0 "[ . 1 . 2]" 1
1574 1 75 ASP H 1 75 ASP HB3 3.290 . 4.290 3.048 2.713 3.496 . 0 0 "[ . 1 . 2]" 1
1575 1 75 ASP H 1 76 GLY H 3.080 . 4.080 2.786 2.624 2.964 . 0 0 "[ . 1 . 2]" 1
1576 1 75 ASP H 1 77 LEU H 4.270 . 5.270 3.856 3.729 4.376 . 0 0 "[ . 1 . 2]" 1
1577 1 75 ASP H 1 78 ILE H 4.950 . 5.950 4.595 4.476 4.756 . 0 0 "[ . 1 . 2]" 1
1578 1 75 ASP HA 1 77 LEU H 4.750 . 5.750 4.415 4.183 4.700 . 0 0 "[ . 1 . 2]" 1
1579 1 75 ASP HA 1 78 ILE H 4.390 . 5.390 3.814 3.717 3.930 . 0 0 "[ . 1 . 2]" 1
1580 1 75 ASP HA 1 78 ILE HB 4.330 . 4.330 3.534 2.992 4.243 . 0 0 "[ . 1 . 2]" 1
1581 1 75 ASP HA 1 78 ILE MG 4.270 . 5.270 3.974 2.066 4.879 . 0 0 "[ . 1 . 2]" 1
1582 1 75 ASP HB2 1 76 GLY H 3.540 . 4.540 3.218 2.564 3.659 . 0 0 "[ . 1 . 2]" 1
1583 1 75 ASP HB3 1 76 GLY H 3.360 . 4.360 2.429 2.213 2.946 . 0 0 "[ . 1 . 2]" 1
1584 1 75 ASP HB3 1 77 LEU H 5.500 . 6.500 4.766 4.621 5.051 . 0 0 "[ . 1 . 2]" 1
1585 1 76 GLY H 1 76 GLY HA3 2.640 . 3.640 2.301 2.293 2.305 . 0 0 "[ . 1 . 2]" 1
1586 1 76 GLY H 1 77 LEU HB2 5.560 . 6.560 4.980 4.740 5.302 . 0 0 "[ . 1 . 2]" 1
1587 1 76 GLY H 1 79 ASP H 5.150 . 6.150 4.734 4.662 4.823 . 0 0 "[ . 1 . 2]" 1
1588 1 76 GLY HA2 1 78 ILE H 5.430 . 6.430 4.531 4.338 4.801 . 0 0 "[ . 1 . 2]" 1
1589 1 76 GLY HA2 1 79 ASP H 3.910 . 4.910 3.417 3.246 3.642 . 0 0 "[ . 1 . 2]" 1
1590 1 76 GLY HA2 1 79 ASP HB2 4.240 . 4.240 2.581 2.085 3.191 . 0 0 "[ . 1 . 2]" 1
1591 1 76 GLY HA2 1 79 ASP QB 3.710 . 4.710 2.390 2.071 2.776 . 0 0 "[ . 1 . 2]" 1
1592 1 76 GLY HA2 1 79 ASP HB3 4.240 . 4.240 3.182 2.403 3.773 . 0 0 "[ . 1 . 2]" 1
1593 1 76 GLY HA2 1 80 LYS H 4.750 . 5.750 3.979 3.619 4.304 . 0 0 "[ . 1 . 2]" 1
1594 1 76 GLY HA3 1 77 LEU H 3.220 . 4.220 2.922 2.747 3.046 . 0 0 "[ . 1 . 2]" 1
1595 1 76 GLY HA3 1 78 ILE H 5.700 . 6.700 4.890 4.713 5.124 . 0 0 "[ . 1 . 2]" 1
1596 1 77 LEU H 1 77 LEU HB2 3.190 . 4.190 2.606 2.270 2.843 . 0 0 "[ . 1 . 2]" 1
1597 1 77 LEU H 1 77 LEU HB3 2.920 . 3.920 2.433 2.204 2.768 . 0 0 "[ . 1 . 2]" 1
1598 1 77 LEU H 1 77 LEU MD1 4.420 . 7.820 4.146 4.044 4.308 . 0 0 "[ . 1 . 2]" 1
1599 1 77 LEU H 1 78 ILE HA 5.550 . 6.550 5.227 5.160 5.318 . 0 0 "[ . 1 . 2]" 1
1600 1 77 LEU H 1 78 ILE HB 4.890 . 5.890 4.808 4.665 4.933 . 0 0 "[ . 1 . 2]" 1
1601 1 77 LEU H 1 78 ILE MG 4.940 . 6.940 5.421 4.079 5.967 . 0 0 "[ . 1 . 2]" 1
1602 1 77 LEU H 1 79 ASP H 4.240 . 5.240 3.718 3.584 3.924 . 0 0 "[ . 1 . 2]" 1
1603 1 77 LEU H 1 79 ASP QB 5.540 . 7.540 4.529 4.291 4.780 . 0 0 "[ . 1 . 2]" 1
1604 1 77 LEU H 1 80 LYS H 5.150 . 6.150 4.969 4.835 5.068 . 0 0 "[ . 1 . 2]" 1
1605 1 77 LEU HA 1 77 LEU MD1 3.380 . 5.780 2.402 1.915 3.663 . 0 0 "[ . 1 . 2]" 1
1606 1 77 LEU HA 1 79 ASP H 4.380 . 5.380 3.964 3.868 4.030 . 0 0 "[ . 1 . 2]" 1
1607 1 77 LEU HA 1 80 LYS H 3.920 . 4.920 3.861 3.525 4.077 . 0 0 "[ . 1 . 2]" 1
1608 1 77 LEU HA 1 80 LYS QB 4.340 . 5.340 4.024 3.168 4.821 . 0 0 "[ . 1 . 2]" 1
1609 1 77 LEU HA 1 80 LYS HE2 5.060 . 5.060 4.062 2.334 5.063 0.003 6 0 "[ . 1 . 2]" 1
1610 1 77 LEU HA 1 80 LYS HE3 5.280 . 5.280 3.761 2.088 4.796 . 0 0 "[ . 1 . 2]" 1
1611 1 77 LEU HA 1 81 LEU H 4.710 . 5.710 4.162 3.956 4.422 . 0 0 "[ . 1 . 2]" 1
1612 1 77 LEU QB 1 77 LEU MD2 3.000 . 5.000 2.127 2.035 2.461 . 0 0 "[ . 1 . 2]" 1
1613 1 77 LEU HB2 1 78 ILE H 5.020 . 6.020 3.864 3.689 4.024 . 0 0 "[ . 1 . 2]" 1
1614 1 77 LEU HB2 1 79 ASP H 5.700 . 6.700 5.434 5.356 5.569 . 0 0 "[ . 1 . 2]" 1
1615 1 77 LEU HB3 1 78 ILE H 3.260 . 4.260 2.565 2.423 2.785 . 0 0 "[ . 1 . 2]" 1
1616 1 77 LEU MD1 1 78 ILE H 4.340 . 7.740 4.161 3.140 4.769 . 0 0 "[ . 1 . 2]" 1
1617 1 77 LEU MD1 1 78 ILE HA 4.420 . 6.040 4.199 2.876 5.380 . 0 0 "[ . 1 . 2]" 1
1618 1 77 LEU MD1 1 78 ILE HB 4.720 . 7.120 5.706 4.515 6.005 . 0 0 "[ . 1 . 2]" 1
1619 1 77 LEU MD1 1 80 LYS H 5.120 . 8.520 5.124 4.309 6.633 . 0 0 "[ . 1 . 2]" 1
1620 1 77 LEU MD1 1 80 LYS HD3 5.490 . 7.890 5.288 4.105 6.517 . 0 0 "[ . 1 . 2]" 1
1621 1 77 LEU MD1 1 80 LYS HE3 4.890 . 7.290 4.656 3.824 6.036 . 0 0 "[ . 1 . 2]" 1
1622 1 77 LEU MD1 1 81 LEU H 4.330 . 7.730 4.303 3.630 6.107 . 0 0 "[ . 1 . 2]" 1
1623 1 77 LEU MD1 1 81 LEU MD1 5.150 . 7.550 2.958 1.768 4.269 0.032 12 0 "[ . 1 . 2]" 1
1624 1 77 LEU MD1 1 81 LEU HG 4.210 . 6.610 2.719 1.876 5.400 . 0 0 "[ . 1 . 2]" 1
1625 1 77 LEU MD2 1 78 ILE HA 5.040 . 6.040 4.582 2.316 5.093 . 0 0 "[ . 1 . 2]" 1
1626 1 78 ILE H 1 78 ILE HB 2.960 . 3.960 2.450 2.343 2.521 . 0 0 "[ . 1 . 2]" 1
1627 1 78 ILE H 1 78 ILE MD 4.650 . 6.650 3.611 3.331 4.106 . 0 0 "[ . 1 . 2]" 1
1628 1 78 ILE H 1 78 ILE HG12 4.340 . 5.340 2.950 2.262 4.725 . 0 0 "[ . 1 . 2]" 1
1629 1 78 ILE H 1 78 ILE MG 3.220 . 5.220 3.431 2.379 3.780 . 0 0 "[ . 1 . 2]" 1
1630 1 78 ILE H 1 79 ASP H 3.190 . 4.190 2.484 2.409 2.612 . 0 0 "[ . 1 . 2]" 1
1631 1 78 ILE H 1 80 LYS H 4.740 . 5.740 4.563 4.330 4.662 . 0 0 "[ . 1 . 2]" 1
1632 1 78 ILE HA 1 78 ILE MD 4.000 . 4.560 2.080 1.932 2.598 . 0 0 "[ . 1 . 2]" 1
1633 1 78 ILE HA 1 78 ILE HG12 4.070 . 4.070 3.156 2.887 3.656 . 0 0 "[ . 1 . 2]" 1
1634 1 78 ILE HA 1 78 ILE HG13 4.150 . 4.150 3.379 2.389 3.705 . 0 0 "[ . 1 . 2]" 1
1635 1 78 ILE HA 1 81 LEU H 4.000 . 5.000 3.569 3.448 3.655 . 0 0 "[ . 1 . 2]" 1
1636 1 78 ILE HA 1 81 LEU HB2 4.060 . 4.060 2.339 2.229 2.500 . 0 0 "[ . 1 . 2]" 1
1637 1 78 ILE HA 1 81 LEU HB3 4.770 . 4.770 3.747 3.586 3.968 . 0 0 "[ . 1 . 2]" 1
1638 1 78 ILE HA 1 81 LEU MD1 3.210 . 5.610 4.106 2.046 4.716 . 0 0 "[ . 1 . 2]" 1
1639 1 78 ILE HA 1 81 LEU HG 4.680 . 4.680 3.673 3.238 4.756 0.076 15 0 "[ . 1 . 2]" 1
1640 1 78 ILE HA 1 82 ALA H 4.400 . 5.400 3.800 3.612 4.080 . 0 0 "[ . 1 . 2]" 1
1641 1 78 ILE MD 1 79 ASP HA 4.720 . 5.720 5.742 5.645 5.797 0.077 6 0 "[ . 1 . 2]" 1
1642 1 78 ILE MD 1 81 LEU H 4.860 . 6.860 5.047 4.772 5.597 . 0 0 "[ . 1 . 2]" 1
1643 1 78 ILE MD 1 81 LEU HB2 4.440 . 5.440 3.500 3.254 4.099 . 0 0 "[ . 1 . 2]" 1
1644 1 78 ILE MD 1 81 LEU MD1 4.580 . 7.980 4.034 2.611 4.926 . 0 0 "[ . 1 . 2]" 1
1645 1 78 ILE QG 1 78 ILE MG 3.000 . 5.000 2.170 1.925 2.284 . 0 0 "[ . 1 . 2]" 1
1646 1 78 ILE HG12 1 79 ASP H 5.700 . 6.700 4.670 4.445 5.221 . 0 0 "[ . 1 . 2]" 1
1647 1 78 ILE MG 1 79 ASP H 3.440 . 5.440 3.451 2.245 3.918 . 0 0 "[ . 1 . 2]" 1
1648 1 78 ILE MG 1 79 ASP HA 4.630 . 5.630 3.609 3.280 3.840 . 0 0 "[ . 1 . 2]" 1
1649 1 78 ILE MG 1 80 LYS H 5.280 . 7.280 5.233 4.485 5.550 . 0 0 "[ . 1 . 2]" 1
1650 1 78 ILE MG 1 81 LEU HB2 5.100 . 6.100 4.015 3.390 4.967 . 0 0 "[ . 1 . 2]" 1
1651 1 78 ILE MG 1 82 ALA MB 4.250 . 6.250 3.425 2.922 4.445 . 0 0 "[ . 1 . 2]" 1
1652 1 79 ASP H 1 79 ASP QB 2.740 . 4.740 2.194 2.093 2.286 . 0 0 "[ . 1 . 2]" 1
1653 1 79 ASP H 1 80 LYS H 3.110 . 4.110 2.578 2.424 2.690 . 0 0 "[ . 1 . 2]" 1
1654 1 79 ASP H 1 80 LYS QB 4.920 . 6.920 4.697 4.183 5.059 . 0 0 "[ . 1 . 2]" 1
1655 1 79 ASP H 1 81 LEU H 4.260 . 5.260 3.653 3.527 3.801 . 0 0 "[ . 1 . 2]" 1
1656 1 79 ASP H 1 81 LEU HB2 5.300 . 6.300 4.455 4.294 4.636 . 0 0 "[ . 1 . 2]" 1
1657 1 79 ASP H 1 82 ALA H 5.270 . 6.270 4.634 4.504 4.819 . 0 0 "[ . 1 . 2]" 1
1658 1 79 ASP H 1 82 ALA MB 5.340 . 7.340 4.940 4.831 5.107 . 0 0 "[ . 1 . 2]" 1
1659 1 79 ASP HA 1 82 ALA H 4.220 . 5.220 3.780 3.671 3.939 . 0 0 "[ . 1 . 2]" 1
1660 1 79 ASP HA 1 82 ALA MB 3.720 . 4.720 3.203 3.015 3.474 . 0 0 "[ . 1 . 2]" 1
1661 1 79 ASP HA 1 83 ARG H 4.580 . 5.580 4.325 4.134 4.450 . 0 0 "[ . 1 . 2]" 1
1662 1 79 ASP QB 1 80 LYS H 3.190 . 5.190 2.348 2.166 2.492 . 0 0 "[ . 1 . 2]" 1
1663 1 79 ASP QB 1 83 ARG H 5.540 . 7.540 5.344 5.079 5.595 . 0 0 "[ . 1 . 2]" 1
1664 1 79 ASP QB 1 83 ARG HG3 4.650 . 5.650 4.874 3.984 5.647 . 0 0 "[ . 1 . 2]" 1
1665 1 79 ASP HB2 1 80 LYS H 3.760 . 4.760 3.156 2.543 3.689 . 0 0 "[ . 1 . 2]" 1
1666 1 79 ASP HB3 1 80 LYS H 3.760 . 4.760 2.528 2.197 2.965 . 0 0 "[ . 1 . 2]" 1
1667 1 80 LYS H 1 80 LYS HD2 4.410 . 5.410 4.209 3.316 4.864 . 0 0 "[ . 1 . 2]" 1
1668 1 80 LYS H 1 80 LYS HE2 4.570 . 5.570 3.952 2.837 5.055 . 0 0 "[ . 1 . 2]" 1
1669 1 80 LYS H 1 80 LYS HG2 4.020 . 5.020 3.021 2.164 4.408 . 0 0 "[ . 1 . 2]" 1
1670 1 80 LYS H 1 80 LYS QG 3.330 . 5.330 2.293 1.941 3.985 . 0 0 "[ . 1 . 2]" 1
1671 1 80 LYS H 1 80 LYS HG3 4.020 . 5.020 2.711 1.951 4.563 . 0 0 "[ . 1 . 2]" 1
1672 1 80 LYS H 1 81 LEU H 3.100 . 4.100 2.591 2.485 2.689 . 0 0 "[ . 1 . 2]" 1
1673 1 80 LYS H 1 81 LEU MD1 5.640 . 9.040 5.769 3.775 6.239 . 0 0 "[ . 1 . 2]" 1
1674 1 80 LYS H 1 82 ALA H 4.690 . 5.690 4.396 4.326 4.510 . 0 0 "[ . 1 . 2]" 1
1675 1 80 LYS H 1 82 ALA MB 5.480 . 7.480 5.120 5.003 5.304 . 0 0 "[ . 1 . 2]" 1
1676 1 80 LYS HA 1 80 LYS HD3 4.940 . 4.940 4.622 4.334 4.925 . 0 0 "[ . 1 . 2]" 1
1677 1 80 LYS HA 1 80 LYS HG2 4.150 . 4.150 3.312 2.373 4.010 . 0 0 "[ . 1 . 2]" 1
1678 1 80 LYS HA 1 80 LYS QG 3.580 . 4.580 2.930 2.283 3.345 . 0 0 "[ . 1 . 2]" 1
1679 1 80 LYS HA 1 80 LYS HG3 4.150 . 4.150 3.304 2.804 3.815 . 0 0 "[ . 1 . 2]" 1
1680 1 80 LYS HA 1 81 LEU H 3.770 . 4.770 3.509 3.468 3.536 . 0 0 "[ . 1 . 2]" 1
1681 1 80 LYS HA 1 84 GLN H 4.620 . 5.620 4.272 4.068 4.369 . 0 0 "[ . 1 . 2]" 1
1682 1 80 LYS QB 1 80 LYS HD3 3.430 . 4.430 2.501 1.969 3.294 . 0 0 "[ . 1 . 2]" 1
1683 1 80 LYS HB2 1 80 LYS HD3 4.000 . 4.000 2.796 1.997 3.916 . 0 0 "[ . 1 . 2]" 1
1684 1 80 LYS HB3 1 80 LYS HD3 4.000 . 4.000 3.049 2.569 3.553 . 0 0 "[ . 1 . 2]" 1
1685 1 80 LYS HE2 1 80 LYS HG2 3.870 . 3.870 2.802 2.212 3.552 . 0 0 "[ . 1 . 2]" 1
1686 1 80 LYS HE2 1 80 LYS QG 3.290 . 4.290 2.292 1.970 2.774 . 0 0 "[ . 1 . 2]" 1
1687 1 80 LYS HE2 1 80 LYS HG3 3.870 . 3.870 2.885 1.988 3.818 . 0 0 "[ . 1 . 2]" 1
1688 1 81 LEU H 1 81 LEU HB2 2.860 . 3.860 2.223 2.210 2.255 . 0 0 "[ . 1 . 2]" 1
1689 1 81 LEU H 1 81 LEU HB3 3.900 . 4.900 3.512 3.501 3.527 . 0 0 "[ . 1 . 2]" 1
1690 1 81 LEU H 1 81 LEU MD1 3.810 . 6.360 3.839 1.927 4.216 . 0 0 "[ . 1 . 2]" 1
1691 1 81 LEU H 1 81 LEU MD2 4.360 . 6.360 2.507 1.972 4.297 . 0 0 "[ . 1 . 2]" 1
1692 1 81 LEU H 1 81 LEU HG 2.910 . 3.910 3.591 3.273 3.921 0.011 13 0 "[ . 1 . 2]" 1
1693 1 81 LEU H 1 82 ALA H 3.110 . 4.110 2.737 2.660 2.846 . 0 0 "[ . 1 . 2]" 1
1694 1 81 LEU H 1 83 ARG H 4.850 . 5.850 4.470 4.234 4.689 . 0 0 "[ . 1 . 2]" 1
1695 1 81 LEU H 1 84 GLN H 5.080 . 6.080 4.775 4.661 4.850 . 0 0 "[ . 1 . 2]" 1
1696 1 81 LEU H 1 84 GLN HG2 5.700 . 6.700 5.761 5.262 6.340 . 0 0 "[ . 1 . 2]" 1
1697 1 81 LEU H 1 84 GLN HG3 5.700 . 6.700 5.337 4.651 6.087 . 0 0 "[ . 1 . 2]" 1
1698 1 81 LEU HA 1 81 LEU MD1 3.000 . 4.000 2.728 2.499 3.486 . 0 0 "[ . 1 . 2]" 1
1699 1 81 LEU HA 1 81 LEU MD2 4.000 . 5.000 2.314 1.930 3.785 . 0 0 "[ . 1 . 2]" 1
1700 1 81 LEU HA 1 81 LEU HG 4.140 . 4.140 3.397 2.180 3.701 . 0 0 "[ . 1 . 2]" 1
1701 1 81 LEU HA 1 83 ARG H 5.430 . 6.430 4.897 4.744 5.066 . 0 0 "[ . 1 . 2]" 1
1702 1 81 LEU HA 1 84 GLN H 3.900 . 4.900 3.612 3.541 3.689 . 0 0 "[ . 1 . 2]" 1
1703 1 81 LEU HA 1 84 GLN HG2 4.930 . 4.930 4.382 3.896 4.889 . 0 0 "[ . 1 . 2]" 1
1704 1 81 LEU HA 1 84 GLN HG3 5.150 . 5.150 3.542 2.910 4.099 . 0 0 "[ . 1 . 2]" 1
1705 1 81 LEU HA 1 85 LEU MD1 4.850 . 7.250 5.313 3.385 5.930 . 0 0 "[ . 1 . 2]" 1
1706 1 81 LEU QB 1 81 LEU MD2 3.000 . 5.000 2.405 1.925 2.553 . 0 0 "[ . 1 . 2]" 1
1707 1 81 LEU HB2 1 81 LEU MD1 3.220 . 4.670 2.896 1.944 3.124 . 0 0 "[ . 1 . 2]" 1
1708 1 81 LEU HB2 1 82 ALA H 3.210 . 4.210 2.628 2.569 2.734 . 0 0 "[ . 1 . 2]" 1
1709 1 81 LEU MD1 1 84 GLN HG3 5.060 . 7.460 4.980 4.525 6.029 . 0 0 "[ . 1 . 2]" 1
1710 1 81 LEU HG 1 82 ALA H 4.900 . 5.900 4.863 4.817 4.970 . 0 0 "[ . 1 . 2]" 1
1711 1 82 ALA H 1 82 ALA MB 2.710 . 4.710 2.156 2.058 2.242 . 0 0 "[ . 1 . 2]" 1
1712 1 82 ALA H 1 83 ARG H 3.160 . 4.160 2.912 2.799 3.002 . 0 0 "[ . 1 . 2]" 1
1713 1 82 ALA H 1 83 ARG HG2 5.230 . 6.230 5.206 4.449 6.077 . 0 0 "[ . 1 . 2]" 1
1714 1 82 ALA H 1 84 GLN H 4.410 . 5.410 4.037 3.951 4.205 . 0 0 "[ . 1 . 2]" 1
1715 1 82 ALA HA 1 84 GLN H 4.800 . 5.800 4.158 4.073 4.316 . 0 0 "[ . 1 . 2]" 1
1716 1 82 ALA HA 1 85 LEU H 3.820 . 4.820 3.398 3.236 3.546 . 0 0 "[ . 1 . 2]" 1
1717 1 82 ALA HA 1 85 LEU HB2 4.850 . 4.850 2.569 2.159 2.694 . 0 0 "[ . 1 . 2]" 1
1718 1 82 ALA HA 1 85 LEU MD1 4.340 . 6.740 4.313 1.949 5.102 . 0 0 "[ . 1 . 2]" 1
1719 1 82 ALA HA 1 86 THR H 4.510 . 5.510 4.079 3.866 4.464 . 0 0 "[ . 1 . 2]" 1
1720 1 82 ALA MB 1 83 ARG H 3.080 . 5.080 2.236 2.069 2.468 . 0 0 "[ . 1 . 2]" 1
1721 1 82 ALA MB 1 84 GLN H 4.530 . 6.530 4.251 4.126 4.457 . 0 0 "[ . 1 . 2]" 1
1722 1 82 ALA MB 1 85 LEU MD1 5.090 . 8.490 5.280 3.481 5.925 . 0 0 "[ . 1 . 2]" 1
1723 1 82 ALA MB 1 86 THR H 5.180 . 7.180 4.571 4.474 4.776 . 0 0 "[ . 1 . 2]" 1
1724 1 83 ARG H 1 83 ARG HB2 2.960 . 3.960 2.475 2.183 2.744 . 0 0 "[ . 1 . 2]" 1
1725 1 83 ARG H 1 83 ARG QD 4.600 . 6.600 4.042 3.331 4.623 . 0 0 "[ . 1 . 2]" 1
1726 1 83 ARG H 1 83 ARG HG2 3.690 . 4.690 2.531 1.993 3.210 . 0 0 "[ . 1 . 2]" 1
1727 1 83 ARG H 1 83 ARG HG3 3.370 . 4.370 3.101 2.196 3.860 . 0 0 "[ . 1 . 2]" 1
1728 1 83 ARG H 1 84 GLN H 3.100 . 4.100 2.804 2.757 2.866 . 0 0 "[ . 1 . 2]" 1
1729 1 83 ARG H 1 85 LEU H 4.580 . 5.580 4.366 4.125 4.451 . 0 0 "[ . 1 . 2]" 1
1730 1 83 ARG H 1 86 THR H 5.440 . 6.440 4.909 4.827 5.036 . 0 0 "[ . 1 . 2]" 1
1731 1 83 ARG HA 1 83 ARG HD2 4.410 . 4.410 3.652 2.010 4.413 0.003 3 0 "[ . 1 . 2]" 1
1732 1 83 ARG HA 1 83 ARG QD 3.820 . 4.820 2.922 2.000 3.716 . 0 0 "[ . 1 . 2]" 1
1733 1 83 ARG HA 1 83 ARG HD3 4.410 . 4.410 3.311 2.022 4.092 . 0 0 "[ . 1 . 2]" 1
1734 1 83 ARG HA 1 83 ARG HG2 3.650 . 3.650 2.554 2.140 3.089 . 0 0 "[ . 1 . 2]" 1
1735 1 83 ARG HA 1 86 THR H 4.150 . 5.150 3.728 3.564 3.825 . 0 0 "[ . 1 . 2]" 1
1736 1 83 ARG HA 1 86 THR HB 4.400 . 4.400 3.695 3.129 4.401 0.001 16 0 "[ . 1 . 2]" 1
1737 1 83 ARG HA 1 86 THR MG 5.060 . 6.060 4.247 3.873 4.470 . 0 0 "[ . 1 . 2]" 1
1738 1 83 ARG HA 1 87 LYS H 4.660 . 5.660 4.271 4.117 4.489 . 0 0 "[ . 1 . 2]" 1
1739 1 83 ARG HB2 1 84 GLN H 3.140 . 4.140 2.856 2.572 3.059 . 0 0 "[ . 1 . 2]" 1
1740 1 83 ARG HB2 1 84 GLN HG2 4.460 . 4.460 3.846 3.139 4.268 . 0 0 "[ . 1 . 2]" 1
1741 1 83 ARG HB3 1 83 ARG HD2 3.990 . 3.990 2.593 2.011 3.515 . 0 0 "[ . 1 . 2]" 1
1742 1 83 ARG HB3 1 83 ARG QD 3.330 . 4.330 2.236 1.975 2.870 . 0 0 "[ . 1 . 2]" 1
1743 1 83 ARG HB3 1 83 ARG HD3 3.990 . 3.990 2.804 1.992 3.663 . 0 0 "[ . 1 . 2]" 1
1744 1 83 ARG HG2 1 84 GLN H 4.650 . 5.650 4.631 4.299 4.920 . 0 0 "[ . 1 . 2]" 1
1745 1 84 GLN H 1 84 GLN HG2 3.010 . 4.010 2.879 2.305 3.373 . 0 0 "[ . 1 . 2]" 1
1746 1 84 GLN H 1 85 LEU H 3.120 . 4.120 2.522 2.491 2.558 . 0 0 "[ . 1 . 2]" 1
1747 1 84 GLN H 1 85 LEU HB2 4.960 . 5.960 4.398 4.355 4.424 . 0 0 "[ . 1 . 2]" 1
1748 1 84 GLN H 1 87 LYS QG 4.950 . 6.950 6.100 4.863 6.820 . 0 0 "[ . 1 . 2]" 1
1749 1 84 GLN HA 1 84 GLN HG2 3.590 . 3.590 2.560 2.277 2.890 . 0 0 "[ . 1 . 2]" 1
1750 1 84 GLN HA 1 87 LYS H 4.080 . 5.080 3.427 3.340 3.538 . 0 0 "[ . 1 . 2]" 1
1751 1 84 GLN HA 1 87 LYS QG 4.440 . 5.440 3.981 3.018 4.627 . 0 0 "[ . 1 . 2]" 1
1752 1 84 GLN HG2 1 85 LEU H 5.050 . 6.050 4.620 4.309 4.866 . 0 0 "[ . 1 . 2]" 1
1753 1 85 LEU H 1 85 LEU HB2 3.510 . 4.510 2.236 2.209 2.249 . 0 0 "[ . 1 . 2]" 1
1754 1 85 LEU H 1 85 LEU MD1 3.500 . 6.570 3.755 2.451 4.174 . 0 0 "[ . 1 . 2]" 1
1755 1 85 LEU H 1 85 LEU MD2 4.570 . 6.570 2.551 2.004 4.256 . 0 0 "[ . 1 . 2]" 1
1756 1 85 LEU H 1 86 THR H 3.320 . 4.320 2.731 2.684 2.779 . 0 0 "[ . 1 . 2]" 1
1757 1 85 LEU HA 1 85 LEU MD1 3.000 . 4.000 2.623 2.242 3.335 . 0 0 "[ . 1 . 2]" 1
1758 1 85 LEU HA 1 85 LEU MD2 4.000 . 5.000 2.374 2.025 3.448 . 0 0 "[ . 1 . 2]" 1
1759 1 85 LEU HA 1 87 LYS H 5.010 . 6.010 4.447 4.370 4.554 . 0 0 "[ . 1 . 2]" 1
1760 1 85 LEU HA 1 88 HIS H 4.610 . 5.610 3.970 3.769 4.167 . 0 0 "[ . 1 . 2]" 1
1761 1 85 LEU HA 1 88 HIS HB2 5.700 . 5.700 5.604 5.389 5.717 0.017 18 0 "[ . 1 . 2]" 1
1762 1 85 LEU HA 1 88 HIS HB3 4.610 . 4.610 4.556 4.262 4.649 0.039 2 0 "[ . 1 . 2]" 1
1763 1 85 LEU HA 1 88 HIS HD2 5.700 . 5.700 5.131 4.735 5.528 . 0 0 "[ . 1 . 2]" 1
1764 1 85 LEU HA 1 89 LYS H 5.100 . 6.100 4.179 3.786 4.490 . 0 0 "[ . 1 . 2]" 1
1765 1 85 LEU QB 1 85 LEU MD1 3.000 . 5.000 2.087 1.927 2.209 . 0 0 "[ . 1 . 2]" 1
1766 1 85 LEU HB3 1 85 LEU MD1 3.140 . 4.610 2.337 1.978 3.070 . 0 0 "[ . 1 . 2]" 1
1767 1 85 LEU HB3 1 86 THR H 3.810 . 4.810 3.298 3.234 3.367 . 0 0 "[ . 1 . 2]" 1
1768 1 85 LEU MD1 1 86 THR H 4.420 . 7.270 4.596 4.161 4.775 . 0 0 "[ . 1 . 2]" 1
1769 1 85 LEU MD2 1 86 THR H 5.270 . 7.270 4.283 4.131 4.824 . 0 0 "[ . 1 . 2]" 1
1770 1 86 THR H 1 86 THR HB 3.650 . 4.650 3.020 2.585 3.477 . 0 0 "[ . 1 . 2]" 1
1771 1 86 THR H 1 86 THR MG 3.940 . 5.940 3.430 2.870 3.753 . 0 0 "[ . 1 . 2]" 1
1772 1 86 THR H 1 87 LYS H 3.400 . 4.400 2.630 2.575 2.723 . 0 0 "[ . 1 . 2]" 1
1773 1 86 THR H 1 87 LYS QB 5.430 . 7.430 4.308 4.218 4.396 . 0 0 "[ . 1 . 2]" 1
1774 1 86 THR H 1 88 HIS H 5.330 . 6.330 4.662 4.496 4.769 . 0 0 "[ . 1 . 2]" 1
1775 1 86 THR H 1 89 LYS H 5.700 . 6.700 4.664 4.558 4.778 . 0 0 "[ . 1 . 2]" 1
1776 1 86 THR H 1 89 LYS QD 5.540 . 7.540 5.723 4.373 7.089 . 0 0 "[ . 1 . 2]" 1
1777 1 86 THR HA 1 86 THR MG 3.000 . 3.600 2.239 2.044 2.421 . 0 0 "[ . 1 . 2]" 1
1778 1 86 THR HA 1 89 LYS H 4.390 . 5.390 3.463 3.185 3.816 . 0 0 "[ . 1 . 2]" 1
1779 1 86 THR HA 1 89 LYS HB3 4.230 . 4.230 2.704 1.992 3.842 . 0 0 "[ . 1 . 2]" 1
1780 1 86 THR HA 1 89 LYS QE 4.340 . 5.340 4.258 2.408 5.171 . 0 0 "[ . 1 . 2]" 1
1781 1 86 THR HB 1 87 LYS H 3.380 . 4.380 2.858 2.506 3.346 . 0 0 "[ . 1 . 2]" 1
1782 1 86 THR MG 1 87 LYS H 4.520 . 6.520 3.960 3.564 4.203 . 0 0 "[ . 1 . 2]" 1
1783 1 86 THR MG 1 89 LYS HE2 5.700 . 6.700 4.947 2.176 6.702 0.002 2 0 "[ . 1 . 2]" 1
1784 1 86 THR MG 1 89 LYS QE 4.890 . 6.890 4.231 2.157 5.584 . 0 0 "[ . 1 . 2]" 1
1785 1 86 THR MG 1 89 LYS HE3 5.700 . 6.700 4.894 2.792 6.536 . 0 0 "[ . 1 . 2]" 1
1786 1 87 LYS H 1 87 LYS QB 2.840 . 4.840 2.119 2.044 2.236 . 0 0 "[ . 1 . 2]" 1
1787 1 87 LYS H 1 87 LYS HD2 5.700 . 6.700 4.348 2.992 5.783 . 0 0 "[ . 1 . 2]" 1
1788 1 87 LYS H 1 87 LYS QD 4.950 . 6.950 3.909 2.911 4.673 . 0 0 "[ . 1 . 2]" 1
1789 1 87 LYS H 1 87 LYS HD3 5.700 . 6.700 4.727 3.001 5.915 . 0 0 "[ . 1 . 2]" 1
1790 1 87 LYS H 1 87 LYS HE2 5.700 . 6.700 5.382 2.780 6.644 . 0 0 "[ . 1 . 2]" 1
1791 1 87 LYS H 1 87 LYS HE3 5.700 . 6.700 5.447 2.602 6.541 . 0 0 "[ . 1 . 2]" 1
1792 1 87 LYS H 1 87 LYS HG2 4.130 . 5.130 4.200 3.071 4.655 . 0 0 "[ . 1 . 2]" 1
1793 1 87 LYS H 1 87 LYS QG 3.440 . 5.440 3.546 2.752 4.056 . 0 0 "[ . 1 . 2]" 1
1794 1 87 LYS H 1 87 LYS HG3 4.130 . 5.130 3.870 2.871 4.509 . 0 0 "[ . 1 . 2]" 1
1795 1 87 LYS H 1 88 HIS H 3.750 . 4.750 3.004 2.907 3.081 . 0 0 "[ . 1 . 2]" 1
1796 1 87 LYS H 1 88 HIS HB3 5.700 . 6.700 5.256 5.137 5.340 . 0 0 "[ . 1 . 2]" 1
1797 1 87 LYS HA 1 87 LYS HD2 5.700 . 5.700 3.594 1.995 4.663 . 0 0 "[ . 1 . 2]" 1
1798 1 87 LYS HA 1 87 LYS HD3 5.700 . 5.700 3.890 2.667 4.747 . 0 0 "[ . 1 . 2]" 1
1799 1 87 LYS HA 1 87 LYS HG2 4.290 . 4.290 2.963 2.031 3.781 . 0 0 "[ . 1 . 2]" 1
1800 1 87 LYS HA 1 87 LYS QG 3.790 . 4.790 2.241 2.011 2.776 . 0 0 "[ . 1 . 2]" 1
1801 1 87 LYS HA 1 87 LYS HG3 4.290 . 4.290 2.658 2.040 3.554 . 0 0 "[ . 1 . 2]" 1
1802 1 87 LYS HA 1 90 ASP QB 3.850 . 4.850 3.270 2.917 4.190 . 0 0 "[ . 1 . 2]" 1
1803 1 87 LYS QB 1 88 HIS H 4.030 . 6.030 2.252 2.017 2.460 . 0 0 "[ . 1 . 2]" 1
1804 1 87 LYS HB2 1 88 HIS H 4.570 . 5.570 2.996 2.472 3.680 . 0 0 "[ . 1 . 2]" 1
1805 1 87 LYS HB3 1 88 HIS H 4.570 . 5.570 2.417 2.031 2.857 . 0 0 "[ . 1 . 2]" 1
1806 1 87 LYS QG 1 88 HIS H 4.870 . 6.870 3.991 3.421 4.291 . 0 0 "[ . 1 . 2]" 1
1807 1 88 HIS H 1 88 HIS HB2 3.840 . 4.840 3.574 3.547 3.604 . 0 0 "[ . 1 . 2]" 1
1808 1 88 HIS H 1 88 HIS HB3 3.340 . 4.340 2.342 2.278 2.414 . 0 0 "[ . 1 . 2]" 1
1809 1 88 HIS HA 1 88 HIS HD2 5.000 . 5.000 4.150 4.090 4.539 . 0 0 "[ . 1 . 2]" 1
1810 1 88 HIS HA 1 91 LYS H 4.300 . 5.300 3.478 3.203 3.764 . 0 0 "[ . 1 . 2]" 1
1811 1 88 HIS HD2 1 89 LYS H 4.970 . 5.970 3.473 2.991 4.636 . 0 0 "[ . 1 . 2]" 1
1812 1 88 HIS HD2 1 89 LYS HA 5.700 . 5.700 2.741 2.317 4.170 . 0 0 "[ . 1 . 2]" 1
1813 1 88 HIS HD2 1 91 LYS QB 5.540 . 6.540 5.019 4.096 6.386 . 0 0 "[ . 1 . 2]" 1
1814 1 88 HIS HD2 1 91 LYS HD2 5.700 . 5.700 5.514 4.844 5.715 0.015 3 0 "[ . 1 . 2]" 1
1815 1 88 HIS HD2 1 91 LYS HD3 5.700 . 5.700 5.266 3.728 5.736 0.036 11 0 "[ . 1 . 2]" 1
1816 1 88 HIS HD2 1 92 LEU MD1 5.600 . 8.000 3.183 2.126 5.270 . 0 0 "[ . 1 . 2]" 1
1817 1 89 LYS H 1 89 LYS HB2 3.680 . 4.680 2.485 2.088 3.580 . 0 0 "[ . 1 . 2]" 1
1818 1 89 LYS H 1 89 LYS HB3 3.820 . 4.820 2.822 2.363 3.505 . 0 0 "[ . 1 . 2]" 1
1819 1 89 LYS H 1 89 LYS QG 4.430 . 6.430 3.584 2.480 4.059 . 0 0 "[ . 1 . 2]" 1
1820 1 89 LYS H 1 90 ASP H 4.270 . 5.270 2.569 2.409 2.703 . 0 0 "[ . 1 . 2]" 1
1821 1 89 LYS HA 1 89 LYS QG 3.690 . 4.690 2.439 2.054 3.448 . 0 0 "[ . 1 . 2]" 1
1822 1 89 LYS HA 1 91 LYS H 4.710 . 5.710 4.127 3.668 4.692 . 0 0 "[ . 1 . 2]" 1
1823 1 89 LYS HA 1 92 LEU H 4.400 . 5.400 3.740 3.484 4.200 . 0 0 "[ . 1 . 2]" 1
1824 1 89 LYS HA 1 92 LEU MD1 4.080 . 6.480 2.991 1.999 4.059 . 0 0 "[ . 1 . 2]" 1
1825 1 89 LYS HB2 1 92 LEU MD1 5.250 . 7.650 5.073 3.889 6.261 . 0 0 "[ . 1 . 2]" 1
1826 1 89 LYS HB3 1 89 LYS QD 3.580 . 4.580 2.385 1.979 3.479 . 0 0 "[ . 1 . 2]" 1
1827 1 89 LYS HB3 1 89 LYS HE2 5.060 . 5.060 3.929 2.217 4.740 . 0 0 "[ . 1 . 2]" 1
1828 1 89 LYS HB3 1 89 LYS HE3 5.060 . 5.060 3.786 1.997 4.831 . 0 0 "[ . 1 . 2]" 1
1829 1 89 LYS HB3 1 90 ASP H 3.590 . 4.590 3.388 3.099 4.103 . 0 0 "[ . 1 . 2]" 1
1830 1 89 LYS HB3 1 91 LYS H 5.700 . 6.700 5.374 4.942 6.105 . 0 0 "[ . 1 . 2]" 1
1831 1 89 LYS HB3 1 92 LEU MD1 5.640 . 8.040 5.287 4.068 6.349 . 0 0 "[ . 1 . 2]" 1
1832 1 89 LYS QD 1 90 ASP H 5.500 . 7.500 4.616 3.505 5.660 . 0 0 "[ . 1 . 2]" 1
1833 1 89 LYS QG 1 90 ASP H 4.530 . 6.530 4.228 2.468 4.707 . 0 0 "[ . 1 . 2]" 1
1834 1 89 LYS QG 1 92 LEU MD1 4.450 . 7.850 4.100 2.891 5.488 . 0 0 "[ . 1 . 2]" 1
1835 1 90 ASP H 1 90 ASP QB 2.970 . 4.970 2.203 2.051 2.628 . 0 0 "[ . 1 . 2]" 1
1836 1 90 ASP H 1 91 LYS H 3.590 . 4.590 2.468 2.270 2.683 . 0 0 "[ . 1 . 2]" 1
1837 1 90 ASP H 1 91 LYS HB2 5.700 . 6.700 4.838 4.204 6.157 . 0 0 "[ . 1 . 2]" 1
1838 1 90 ASP H 1 91 LYS HB3 5.700 . 6.700 5.628 4.722 6.021 . 0 0 "[ . 1 . 2]" 1
1839 1 90 ASP HA 1 91 LYS H 3.740 . 4.740 3.493 3.429 3.565 . 0 0 "[ . 1 . 2]" 1
1840 1 90 ASP HA 1 92 LEU H 4.590 . 5.590 4.112 3.603 4.685 . 0 0 "[ . 1 . 2]" 1
1841 1 90 ASP HA 1 93 LYS H 4.420 . 5.420 4.580 3.232 5.429 0.009 16 0 "[ . 1 . 2]" 1
1842 1 90 ASP HA 1 93 LYS QB 4.120 . 5.120 3.602 1.944 5.086 . 0 0 "[ . 1 . 2]" 1
1843 1 90 ASP HA 1 93 LYS HD2 5.230 . 5.230 4.002 2.098 5.240 0.010 3 0 "[ . 1 . 2]" 1
1844 1 90 ASP HA 1 93 LYS HD3 5.230 . 5.230 4.441 2.803 5.233 0.003 20 0 "[ . 1 . 2]" 1
1845 1 90 ASP HA 1 93 LYS QG 5.020 . 6.020 3.774 2.108 5.395 . 0 0 "[ . 1 . 2]" 1
1846 1 90 ASP QB 1 91 LYS H 3.880 . 5.880 2.832 2.347 3.683 . 0 0 "[ . 1 . 2]" 1
1847 1 90 ASP HB2 1 91 LYS H 4.470 . 5.470 3.434 2.422 4.095 . 0 0 "[ . 1 . 2]" 1
1848 1 90 ASP HB3 1 91 LYS H 4.470 . 5.470 3.155 2.610 4.175 . 0 0 "[ . 1 . 2]" 1
1849 1 91 LYS H 1 91 LYS HB2 3.480 . 4.480 2.612 2.110 3.585 . 0 0 "[ . 1 . 2]" 1
1850 1 91 LYS H 1 91 LYS QB 3.060 . 5.060 2.342 2.091 2.680 . 0 0 "[ . 1 . 2]" 1
1851 1 91 LYS H 1 91 LYS HB3 3.480 . 4.480 3.255 2.380 3.591 . 0 0 "[ . 1 . 2]" 1
1852 1 91 LYS H 1 91 LYS HD2 5.700 . 6.700 3.544 2.184 4.676 . 0 0 "[ . 1 . 2]" 1
1853 1 91 LYS H 1 91 LYS HD3 5.700 . 6.700 4.046 2.881 5.240 . 0 0 "[ . 1 . 2]" 1
1854 1 91 LYS H 1 91 LYS HG2 4.930 . 5.930 3.651 2.449 4.561 . 0 0 "[ . 1 . 2]" 1
1855 1 91 LYS H 1 91 LYS QG 4.300 . 6.300 2.710 1.905 3.971 . 0 0 "[ . 1 . 2]" 1
1856 1 91 LYS H 1 91 LYS HG3 4.930 . 5.930 3.001 1.932 4.464 . 0 0 "[ . 1 . 2]" 1
1857 1 91 LYS H 1 92 LEU H 3.440 . 4.440 2.751 2.614 2.900 . 0 0 "[ . 1 . 2]" 1
1858 1 91 LYS H 1 92 LEU HG 5.700 . 6.700 5.294 4.279 6.275 . 0 0 "[ . 1 . 2]" 1
1859 1 91 LYS H 1 93 LYS H 4.790 . 5.790 4.993 4.023 5.786 . 0 0 "[ . 1 . 2]" 1
1860 1 91 LYS HA 1 91 LYS HD2 5.700 . 5.700 4.387 3.577 4.995 . 0 0 "[ . 1 . 2]" 1
1861 1 91 LYS HA 1 91 LYS HD3 5.700 . 5.700 4.601 4.402 5.406 . 0 0 "[ . 1 . 2]" 1
1862 1 91 LYS HA 1 91 LYS QG 3.820 . 4.820 2.520 2.074 3.344 . 0 0 "[ . 1 . 2]" 1
1863 1 91 LYS QB 1 92 LEU H 4.000 . 6.000 2.826 2.357 3.662 . 0 0 "[ . 1 . 2]" 1
1864 1 91 LYS QG 1 92 LEU H 4.360 . 6.360 3.811 1.989 4.495 . 0 0 "[ . 1 . 2]" 1
1865 1 91 LYS QG 1 92 LEU HA 4.660 . 5.660 5.156 3.447 5.766 0.106 12 0 "[ . 1 . 2]" 1
1866 1 92 LEU H 1 92 LEU HB2 3.060 . 4.060 2.487 2.232 2.723 . 0 0 "[ . 1 . 2]" 1
1867 1 92 LEU H 1 92 LEU MD1 3.890 . 7.290 2.513 1.913 3.756 . 0 0 "[ . 1 . 2]" 1
1868 1 92 LEU H 1 92 LEU HG 2.990 . 3.990 3.056 2.270 3.924 . 0 0 "[ . 1 . 2]" 1
1869 1 92 LEU HA 1 92 LEU MD1 3.030 . 5.290 3.551 3.068 3.950 . 0 0 "[ . 1 . 2]" 1
1870 1 92 LEU HA 1 92 LEU MD2 4.000 . 5.000 3.171 1.950 3.629 . 0 0 "[ . 1 . 2]" 1
1871 1 92 LEU HA 1 92 LEU HG 4.340 . 4.340 2.537 2.238 3.139 . 0 0 "[ . 1 . 2]" 1
1872 1 92 LEU QB 1 92 LEU MD1 3.000 . 5.000 2.065 1.915 2.187 . 0 0 "[ . 1 . 2]" 1
1873 1 92 LEU HB2 1 92 LEU MD1 3.310 . 5.710 2.114 1.955 2.274 . 0 0 "[ . 1 . 2]" 1
1874 1 92 LEU HB2 1 93 LYS HA 5.410 . 5.410 4.754 4.073 5.425 0.015 11 0 "[ . 1 . 2]" 1
1875 1 92 LEU HB3 1 93 LYS H 3.860 . 4.860 4.011 2.620 4.522 . 0 0 "[ . 1 . 2]" 1
1876 1 92 LEU HB3 1 93 LYS HA 5.700 . 5.700 4.737 3.937 5.076 . 0 0 "[ . 1 . 2]" 1
1877 1 92 LEU MD1 1 93 LYS H 4.650 . 8.050 4.703 3.431 5.525 . 0 0 "[ . 1 . 2]" 1
1878 1 93 LYS H 1 93 LYS QB 3.260 . 5.260 2.549 2.089 3.136 . 0 0 "[ . 1 . 2]" 1
1879 1 93 LYS H 1 93 LYS HG2 5.060 . 6.060 4.301 2.131 5.085 . 0 0 "[ . 1 . 2]" 1
1880 1 93 LYS H 1 93 LYS QG 4.450 . 6.450 3.648 2.031 4.215 . 0 0 "[ . 1 . 2]" 1
1881 1 93 LYS H 1 93 LYS HG3 5.060 . 6.060 4.065 2.557 4.744 . 0 0 "[ . 1 . 2]" 1
1882 1 93 LYS H 1 94 GLN H 4.860 . 5.860 3.511 1.988 4.614 . 0 0 "[ . 1 . 2]" 1
1883 1 93 LYS HA 1 93 LYS HD2 5.700 . 5.700 4.091 3.501 4.755 . 0 0 "[ . 1 . 2]" 1
1884 1 93 LYS HA 1 93 LYS HD3 5.700 . 5.700 4.145 2.877 4.796 . 0 0 "[ . 1 . 2]" 1
1885 1 93 LYS HA 1 93 LYS HG2 3.960 . 3.960 2.954 2.103 3.818 . 0 0 "[ . 1 . 2]" 1
1886 1 93 LYS HA 1 93 LYS HG3 3.960 . 3.960 2.637 2.037 3.659 . 0 0 "[ . 1 . 2]" 1
1887 1 93 LYS QB 1 93 LYS QD 2.750 . 4.750 2.066 1.937 2.252 . 0 0 "[ . 1 . 2]" 1
1888 1 94 GLN H 1 95 HIS H 4.620 . 5.620 3.507 1.928 4.605 . 0 0 "[ . 1 . 2]" 1
1889 1 94 GLN HA 1 94 GLN QG 3.660 . 4.660 3.356 3.308 3.464 . 0 0 "[ . 1 . 2]" 1
1890 1 94 GLN HA 1 95 HIS H 3.100 . 4.100 2.563 2.141 3.540 . 0 0 "[ . 1 . 2]" 1
1891 1 94 GLN QB 1 95 HIS H 4.030 . 6.030 3.487 2.022 4.036 . 0 0 "[ . 1 . 2]" 1
1892 1 94 GLN HG2 1 95 HIS H 5.700 . 6.700 4.521 2.021 5.623 . 0 0 "[ . 1 . 2]" 1
1893 1 94 GLN HG3 1 95 HIS H 5.700 . 6.700 4.366 2.548 5.396 . 0 0 "[ . 1 . 2]" 1
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