NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
442456 |
2kct   |
16096 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kct
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 1357
_Distance_constraint_stats_list.Viol_count 447
_Distance_constraint_stats_list.Viol_total 603.525
_Distance_constraint_stats_list.Viol_max 0.491
_Distance_constraint_stats_list.Viol_rms 0.0121
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0011
_Distance_constraint_stats_list.Viol_average_violations_only 0.0675
_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 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 ASP 0.225 0.178 3 0 "[ . 1 . 2]"
1 7 LYS 0.174 0.104 3 0 "[ . 1 . 2]"
1 8 LEU 0.326 0.178 3 0 "[ . 1 . 2]"
1 9 HIS 0.141 0.132 3 0 "[ . 1 . 2]"
1 10 THR 1.174 0.169 12 0 "[ . 1 . 2]"
1 11 VAL 0.453 0.102 17 0 "[ . 1 . 2]"
1 12 ARG 0.386 0.118 16 0 "[ . 1 . 2]"
1 13 LEU 2.088 0.332 17 0 "[ . 1 . 2]"
1 14 PHE 2.070 0.332 17 0 "[ . 1 . 2]"
1 15 GLY 0.132 0.088 16 0 "[ . 1 . 2]"
1 16 THR 0.275 0.073 12 0 "[ . 1 . 2]"
1 17 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 ALA 0.511 0.189 11 0 "[ . 1 . 2]"
1 19 ALA 0.350 0.194 19 0 "[ . 1 . 2]"
1 20 ASP 0.038 0.038 6 0 "[ . 1 . 2]"
1 21 GLY 0.008 0.005 15 0 "[ . 1 . 2]"
1 22 LEU 0.860 0.194 19 0 "[ . 1 . 2]"
1 23 THR 0.135 0.065 4 0 "[ . 1 . 2]"
1 24 MET 0.302 0.099 3 0 "[ . 1 . 2]"
1 25 LEU 1.071 0.491 16 0 "[ . 1 . 2]"
1 26 ASP 0.789 0.491 16 0 "[ . 1 . 2]"
1 27 GLY 0.119 0.119 16 0 "[ . 1 . 2]"
1 28 ALA 0.174 0.059 12 0 "[ . 1 . 2]"
1 29 PRO 0.267 0.157 15 0 "[ . 1 . 2]"
1 30 GLY 0.157 0.157 15 0 "[ . 1 . 2]"
1 31 VAL 0.250 0.064 14 0 "[ . 1 . 2]"
1 32 ARG 0.678 0.151 7 0 "[ . 1 . 2]"
1 33 PHE 0.505 0.172 13 0 "[ . 1 . 2]"
1 34 ARG 2.719 0.288 20 0 "[ . 1 . 2]"
1 35 LEU 0.226 0.079 19 0 "[ . 1 . 2]"
1 36 GLU 0.501 0.192 3 0 "[ . 1 . 2]"
1 37 ASP 0.643 0.192 3 0 "[ . 1 . 2]"
1 38 LYS 0.554 0.115 3 0 "[ . 1 . 2]"
1 39 ASP 0.200 0.092 17 0 "[ . 1 . 2]"
1 40 ASN 1.186 0.453 4 0 "[ . 1 . 2]"
1 41 THR 0.512 0.165 4 0 "[ . 1 . 2]"
1 42 SER 0.657 0.453 4 0 "[ . 1 . 2]"
1 43 LYS 0.461 0.165 4 0 "[ . 1 . 2]"
1 44 THR 0.590 0.105 13 0 "[ . 1 . 2]"
1 45 VAL 0.118 0.079 19 0 "[ . 1 . 2]"
1 46 TRP 3.364 0.288 20 0 "[ . 1 . 2]"
1 47 VAL 0.719 0.117 10 0 "[ . 1 . 2]"
1 48 LEU 1.038 0.172 13 0 "[ . 1 . 2]"
1 49 TYR 1.256 0.144 3 0 "[ . 1 . 2]"
1 50 LYS 1.180 0.178 17 0 "[ . 1 . 2]"
1 51 GLY 0.136 0.062 14 0 "[ . 1 . 2]"
1 52 ALA 0.037 0.029 3 0 "[ . 1 . 2]"
1 53 VAL 0.220 0.099 3 0 "[ . 1 . 2]"
1 54 PRO 0.210 0.098 10 0 "[ . 1 . 2]"
1 55 ASP 0.304 0.304 16 0 "[ . 1 . 2]"
1 56 THR 0.520 0.304 16 0 "[ . 1 . 2]"
1 57 PHE 0.183 0.082 19 0 "[ . 1 . 2]"
1 58 LYS 0.374 0.105 2 0 "[ . 1 . 2]"
1 59 PRO 0.155 0.099 15 0 "[ . 1 . 2]"
1 60 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.561 0.105 2 0 "[ . 1 . 2]"
1 62 GLU 0.496 0.100 15 0 "[ . 1 . 2]"
1 63 VAL 0.900 0.140 14 0 "[ . 1 . 2]"
1 64 ILE 0.941 0.113 12 0 "[ . 1 . 2]"
1 65 ILE 0.210 0.078 8 0 "[ . 1 . 2]"
1 66 GLU 0.959 0.192 2 0 "[ . 1 . 2]"
1 67 GLY 0.415 0.192 2 0 "[ . 1 . 2]"
1 68 GLY 0.373 0.212 5 0 "[ . 1 . 2]"
1 69 LEU 1.209 0.158 2 0 "[ . 1 . 2]"
1 70 ALA 0.339 0.082 7 0 "[ . 1 . 2]"
1 71 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLU 2.051 0.228 9 0 "[ . 1 . 2]"
1 74 ASP 1.058 0.156 5 0 "[ . 1 . 2]"
1 75 THR 3.332 0.228 9 0 "[ . 1 . 2]"
1 76 PHE 1.411 0.212 5 0 "[ . 1 . 2]"
1 77 LYS 0.311 0.094 10 0 "[ . 1 . 2]"
1 78 ALA 0.100 0.049 20 0 "[ . 1 . 2]"
1 79 ARG 1.667 0.259 15 0 "[ . 1 . 2]"
1 80 THR 2.048 0.259 15 0 "[ . 1 . 2]"
1 81 LEU 2.964 0.222 20 0 "[ . 1 . 2]"
1 82 MET 2.450 0.198 5 0 "[ . 1 . 2]"
1 83 THR 0.728 0.222 20 0 "[ . 1 . 2]"
1 84 LYS 0.838 0.143 16 0 "[ . 1 . 2]"
1 85 CYS 0.061 0.061 13 0 "[ . 1 . 2]"
1 86 PRO 0.540 0.392 15 0 "[ . 1 . 2]"
1 87 LEU 0.540 0.392 15 0 "[ . 1 . 2]"
1 88 GLU 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 ALA HA 1 3 THR H 3.380 . 3.720 2.604 2.157 3.578 . 0 0 "[ . 1 . 2]" 1
2 1 2 ALA MB 1 3 THR H 4.590 . 5.050 3.160 2.044 3.747 . 0 0 "[ . 1 . 2]" 1
3 1 3 THR H 1 3 THR MG 4.470 . 4.920 2.995 2.062 3.964 . 0 0 "[ . 1 . 2]" 1
4 1 3 THR HA 1 4 PRO HD2 3.870 . 4.260 2.481 1.996 2.756 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR HA 1 4 PRO QD 3.280 . 3.610 2.053 1.929 2.176 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR HA 1 4 PRO HD3 3.870 . 4.260 2.285 1.971 2.891 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR HB 1 4 PRO QD 4.110 . 4.520 3.837 2.443 4.507 . 0 0 "[ . 1 . 2]" 1
8 1 4 PRO HA 1 5 GLN H 3.130 . 3.440 2.392 2.118 3.089 . 0 0 "[ . 1 . 2]" 1
9 1 4 PRO HA 1 5 GLN QB 5.270 . 5.800 4.469 4.198 5.260 . 0 0 "[ . 1 . 2]" 1
10 1 5 GLN H 1 5 GLN HB2 4.090 . 4.500 3.020 2.460 3.653 . 0 0 "[ . 1 . 2]" 1
11 1 5 GLN H 1 5 GLN QB 3.320 . 3.650 2.601 2.272 3.315 . 0 0 "[ . 1 . 2]" 1
12 1 5 GLN H 1 5 GLN HB3 4.090 . 4.500 3.148 2.490 4.124 . 0 0 "[ . 1 . 2]" 1
13 1 5 GLN H 1 5 GLN QG 4.040 . 4.440 3.271 1.970 4.401 . 0 0 "[ . 1 . 2]" 1
14 1 5 GLN HA 1 6 ASP H 3.100 . 3.410 2.463 2.123 3.374 . 0 0 "[ . 1 . 2]" 1
15 1 5 GLN QB 1 6 ASP H 3.980 . 4.380 3.426 2.030 4.094 . 0 0 "[ . 1 . 2]" 1
16 1 5 GLN HB2 1 6 ASP H 4.530 . 4.980 3.957 2.177 4.672 . 0 0 "[ . 1 . 2]" 1
17 1 5 GLN HB3 1 6 ASP H 4.530 . 4.980 3.986 2.062 4.656 . 0 0 "[ . 1 . 2]" 1
18 1 6 ASP H 1 6 ASP QB 3.190 . 3.510 2.537 2.215 3.311 . 0 0 "[ . 1 . 2]" 1
19 1 6 ASP HA 1 7 LYS H 3.100 . 3.410 2.459 2.068 3.457 0.047 19 0 "[ . 1 . 2]" 1
20 1 6 ASP HA 1 8 LEU H 4.790 . 5.270 3.897 2.961 4.726 . 0 0 "[ . 1 . 2]" 1
21 1 6 ASP QB 1 7 LYS H 4.080 . 4.490 3.317 2.285 3.885 . 0 0 "[ . 1 . 2]" 1
22 1 6 ASP QB 1 8 LEU H 4.820 . 5.300 3.822 2.338 5.478 0.178 3 0 "[ . 1 . 2]" 1
23 1 7 LYS H 1 7 LYS HB2 3.840 . 4.220 2.778 2.248 3.625 . 0 0 "[ . 1 . 2]" 1
24 1 7 LYS H 1 7 LYS QB 3.150 . 3.470 2.541 2.224 3.389 . 0 0 "[ . 1 . 2]" 1
25 1 7 LYS H 1 7 LYS HB3 3.840 . 4.220 3.416 2.344 4.118 . 0 0 "[ . 1 . 2]" 1
26 1 7 LYS H 1 7 LYS QG 3.700 . 4.070 2.712 1.940 4.174 0.104 3 0 "[ . 1 . 2]" 1
27 1 7 LYS H 1 8 LEU H 3.460 . 3.810 2.454 1.838 2.757 . 0 0 "[ . 1 . 2]" 1
28 1 7 LYS HA 1 8 LEU H 3.480 . 3.830 3.412 3.071 3.611 . 0 0 "[ . 1 . 2]" 1
29 1 7 LYS QB 1 7 LYS QD 2.760 . 3.040 2.308 2.152 2.480 . 0 0 "[ . 1 . 2]" 1
30 1 7 LYS HB2 1 7 LYS QD 3.180 . 3.500 2.734 2.367 3.374 . 0 0 "[ . 1 . 2]" 1
31 1 7 LYS HB2 1 8 LEU H 4.480 . 4.930 3.343 2.100 4.268 . 0 0 "[ . 1 . 2]" 1
32 1 7 LYS HB3 1 7 LYS QD 3.180 . 3.500 2.665 2.410 3.510 0.010 12 0 "[ . 1 . 2]" 1
33 1 7 LYS HB3 1 8 LEU H 4.480 . 4.930 3.819 2.355 4.482 . 0 0 "[ . 1 . 2]" 1
34 1 8 LEU H 1 8 LEU HB2 3.720 . 4.090 2.676 2.412 3.737 . 0 0 "[ . 1 . 2]" 1
35 1 8 LEU H 1 8 LEU QB 2.910 . 3.200 2.495 2.377 2.745 . 0 0 "[ . 1 . 2]" 1
36 1 8 LEU H 1 8 LEU HB3 3.720 . 4.090 3.523 2.689 3.775 . 0 0 "[ . 1 . 2]" 1
37 1 8 LEU H 1 8 LEU MD1 4.550 . 5.010 3.605 1.866 4.122 . 0 0 "[ . 1 . 2]" 1
38 1 8 LEU H 1 8 LEU MD2 4.550 . 5.010 3.489 1.754 4.094 0.046 3 0 "[ . 1 . 2]" 1
39 1 8 LEU H 1 8 LEU HG 3.090 . 3.400 2.700 1.891 3.500 0.100 12 0 "[ . 1 . 2]" 1
40 1 8 LEU H 1 9 HIS H 3.630 . 3.990 2.847 2.095 3.876 . 0 0 "[ . 1 . 2]" 1
41 1 8 LEU HA 1 8 LEU MD1 4.020 . 4.420 3.853 3.192 4.170 . 0 0 "[ . 1 . 2]" 1
42 1 8 LEU HA 1 8 LEU QD 3.450 . 3.790 2.388 2.001 3.494 . 0 0 "[ . 1 . 2]" 1
43 1 8 LEU HA 1 8 LEU MD2 4.020 . 4.420 2.543 2.007 4.173 . 0 0 "[ . 1 . 2]" 1
44 1 8 LEU HA 1 8 LEU HG 3.750 . 4.130 3.214 2.536 3.806 . 0 0 "[ . 1 . 2]" 1
45 1 8 LEU HA 1 9 HIS H 3.570 . 3.930 3.094 2.332 3.587 . 0 0 "[ . 1 . 2]" 1
46 1 8 LEU QB 1 8 LEU QD 2.750 . 3.030 1.999 1.967 2.014 . 0 0 "[ . 1 . 2]" 1
47 1 8 LEU QB 1 9 HIS H 3.870 . 4.260 3.460 2.295 4.083 . 0 0 "[ . 1 . 2]" 1
48 1 8 LEU HB2 1 9 HIS H 4.450 . 4.890 3.771 2.326 4.494 . 0 0 "[ . 1 . 2]" 1
49 1 8 LEU HB3 1 9 HIS H 4.450 . 4.890 4.190 3.524 4.721 . 0 0 "[ . 1 . 2]" 1
50 1 8 LEU QD 1 9 HIS H 5.030 . 5.530 4.037 2.801 4.547 . 0 0 "[ . 1 . 2]" 1
51 1 9 HIS H 1 9 HIS HB2 3.760 . 4.140 2.938 2.345 4.068 . 0 0 "[ . 1 . 2]" 1
52 1 9 HIS H 1 9 HIS QB 3.220 . 3.540 2.580 2.270 3.270 . 0 0 "[ . 1 . 2]" 1
53 1 9 HIS H 1 9 HIS HB3 3.760 . 4.140 3.229 2.446 3.913 . 0 0 "[ . 1 . 2]" 1
54 1 9 HIS H 1 10 THR H 3.970 . 4.370 3.513 2.329 4.502 0.132 3 0 "[ . 1 . 2]" 1
55 1 9 HIS HA 1 10 THR H 3.400 . 3.740 2.599 2.118 3.575 . 0 0 "[ . 1 . 2]" 1
56 1 9 HIS HB2 1 10 THR H 4.570 . 5.030 4.201 2.989 4.637 . 0 0 "[ . 1 . 2]" 1
57 1 9 HIS HB3 1 10 THR H 4.570 . 5.030 3.847 2.126 4.558 . 0 0 "[ . 1 . 2]" 1
58 1 10 THR H 1 10 THR HB 3.600 . 3.960 2.898 2.533 3.762 . 0 0 "[ . 1 . 2]" 1
59 1 10 THR H 1 10 THR MG 4.100 . 4.510 3.586 2.212 3.981 . 0 0 "[ . 1 . 2]" 1
60 1 10 THR H 1 11 VAL H 4.720 . 5.190 4.457 4.268 4.684 . 0 0 "[ . 1 . 2]" 1
61 1 10 THR HA 1 10 THR MG 3.550 . 3.900 2.444 2.301 3.263 . 0 0 "[ . 1 . 2]" 1
62 1 10 THR HA 1 11 VAL H 2.810 . 3.090 2.291 2.116 3.058 . 0 0 "[ . 1 . 2]" 1
63 1 10 THR HA 1 67 GLY H 5.500 . 6.050 4.474 2.962 6.126 0.076 18 0 "[ . 1 . 2]" 1
64 1 10 THR HB 1 11 VAL H 3.810 . 4.190 3.773 2.556 4.292 0.102 17 0 "[ . 1 . 2]" 1
65 1 10 THR HB 1 67 GLY H 5.320 . 5.850 4.823 3.076 5.568 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR MG 1 11 VAL H 4.030 . 4.430 2.840 2.068 4.078 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR MG 1 66 GLU QB 3.820 . 4.200 3.468 2.037 4.369 0.169 12 0 "[ . 1 . 2]" 1
68 1 10 THR MG 1 66 GLU QG 4.580 . 5.040 2.824 1.877 4.085 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR MG 1 67 GLY H 3.980 . 4.380 2.973 2.271 4.266 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR MG 1 67 GLY HA2 4.670 . 5.140 2.929 2.282 3.694 . 0 0 "[ . 1 . 2]" 1
71 1 10 THR MG 1 67 GLY QA 4.050 . 4.460 2.876 2.260 3.619 . 0 0 "[ . 1 . 2]" 1
72 1 10 THR MG 1 67 GLY HA3 4.670 . 5.140 4.231 3.642 5.177 0.037 13 0 "[ . 1 . 2]" 1
73 1 11 VAL H 1 11 VAL HB 3.530 . 3.880 2.626 2.537 2.703 . 0 0 "[ . 1 . 2]" 1
74 1 11 VAL H 1 11 VAL MG1 4.040 . 4.440 3.884 3.843 3.917 . 0 0 "[ . 1 . 2]" 1
75 1 11 VAL H 1 11 VAL MG2 3.270 . 3.600 2.478 2.309 2.629 . 0 0 "[ . 1 . 2]" 1
76 1 11 VAL H 1 12 ARG H 4.480 . 4.930 4.351 4.131 4.502 . 0 0 "[ . 1 . 2]" 1
77 1 11 VAL H 1 66 GLU HA 4.810 . 5.290 4.644 3.946 5.178 . 0 0 "[ . 1 . 2]" 1
78 1 11 VAL H 1 67 GLY QA 4.710 . 5.180 4.014 3.803 4.391 . 0 0 "[ . 1 . 2]" 1
79 1 11 VAL H 1 68 GLY HA2 4.640 . 5.100 3.329 2.819 4.010 . 0 0 "[ . 1 . 2]" 1
80 1 11 VAL H 1 76 PHE HZ 4.780 . 5.260 3.882 2.829 4.574 . 0 0 "[ . 1 . 2]" 1
81 1 11 VAL HA 1 11 VAL MG2 3.570 . 3.930 2.509 2.451 2.551 . 0 0 "[ . 1 . 2]" 1
82 1 11 VAL HA 1 12 ARG H 2.800 . 3.080 2.191 2.138 2.273 . 0 0 "[ . 1 . 2]" 1
83 1 11 VAL HA 1 67 GLY H 5.500 . 6.050 4.883 4.716 5.071 . 0 0 "[ . 1 . 2]" 1
84 1 11 VAL HB 1 12 ARG H 4.130 . 4.540 4.184 3.800 4.408 . 0 0 "[ . 1 . 2]" 1
85 1 11 VAL HB 1 67 GLY H 4.540 . 4.990 3.821 3.386 4.543 . 0 0 "[ . 1 . 2]" 1
86 1 11 VAL HB 1 76 PHE QD 5.290 . 5.820 4.375 3.762 5.049 . 0 0 "[ . 1 . 2]" 1
87 1 11 VAL HB 1 76 PHE QE 4.200 . 4.620 2.276 1.783 3.060 0.017 19 0 "[ . 1 . 2]" 1
88 1 11 VAL HB 1 76 PHE HZ 4.130 . 4.540 2.787 1.958 3.570 . 0 0 "[ . 1 . 2]" 1
89 1 11 VAL MG1 1 12 ARG H 3.430 . 3.770 2.828 2.258 3.285 . 0 0 "[ . 1 . 2]" 1
90 1 11 VAL MG1 1 12 ARG HA 4.950 . 5.440 3.923 3.564 4.214 . 0 0 "[ . 1 . 2]" 1
91 1 11 VAL MG1 1 67 GLY H 5.130 . 5.640 4.703 4.283 4.987 . 0 0 "[ . 1 . 2]" 1
92 1 11 VAL MG1 1 76 PHE QE 3.500 . 3.850 2.358 1.971 3.467 . 0 0 "[ . 1 . 2]" 1
93 1 11 VAL MG1 1 76 PHE HZ 3.970 . 4.370 3.334 2.574 3.940 . 0 0 "[ . 1 . 2]" 1
94 1 11 VAL MG2 1 12 ARG H 4.360 . 4.800 4.196 4.016 4.336 . 0 0 "[ . 1 . 2]" 1
95 1 11 VAL MG2 1 68 GLY H 5.310 . 5.840 4.956 4.507 5.873 0.033 19 0 "[ . 1 . 2]" 1
96 1 11 VAL MG2 1 68 GLY HA2 4.740 . 5.210 2.655 2.146 3.596 . 0 0 "[ . 1 . 2]" 1
97 1 11 VAL MG2 1 68 GLY HA3 4.860 . 5.350 3.600 3.118 5.061 . 0 0 "[ . 1 . 2]" 1
98 1 11 VAL MG2 1 69 LEU H 4.420 . 4.860 2.971 2.113 3.989 . 0 0 "[ . 1 . 2]" 1
99 1 11 VAL MG2 1 76 PHE QE 4.090 . 4.500 3.434 2.731 3.994 . 0 0 "[ . 1 . 2]" 1
100 1 11 VAL MG2 1 76 PHE HZ 4.540 . 4.990 4.351 3.422 5.048 0.058 12 0 "[ . 1 . 2]" 1
101 1 12 ARG H 1 12 ARG QB 3.120 . 3.430 2.423 2.273 2.617 . 0 0 "[ . 1 . 2]" 1
102 1 12 ARG H 1 12 ARG HG2 4.990 . 5.490 4.492 4.183 4.723 . 0 0 "[ . 1 . 2]" 1
103 1 12 ARG H 1 12 ARG QG 4.360 . 4.800 4.015 3.004 4.147 . 0 0 "[ . 1 . 2]" 1
104 1 12 ARG H 1 12 ARG HG3 4.990 . 5.490 4.568 3.079 4.788 . 0 0 "[ . 1 . 2]" 1
105 1 12 ARG H 1 13 LEU H 4.810 . 5.290 4.333 4.157 4.531 . 0 0 "[ . 1 . 2]" 1
106 1 12 ARG HA 1 13 LEU H 3.050 . 3.360 2.161 2.107 2.213 . 0 0 "[ . 1 . 2]" 1
107 1 12 ARG HA 1 13 LEU QB 5.500 . 6.050 4.094 3.833 4.395 . 0 0 "[ . 1 . 2]" 1
108 1 12 ARG HA 1 66 GLU HA 3.810 . 4.190 2.432 2.071 3.030 . 0 0 "[ . 1 . 2]" 1
109 1 12 ARG HA 1 67 GLY H 4.170 . 4.590 3.870 3.536 4.507 . 0 0 "[ . 1 . 2]" 1
110 1 12 ARG QB 1 12 ARG HE 3.870 . 4.260 2.915 2.040 4.158 . 0 0 "[ . 1 . 2]" 1
111 1 12 ARG QB 1 13 LEU H 3.920 . 4.310 3.780 2.917 3.932 . 0 0 "[ . 1 . 2]" 1
112 1 12 ARG QB 1 14 PHE QD 5.200 . 5.720 5.049 3.567 5.705 . 0 0 "[ . 1 . 2]" 1
113 1 12 ARG QB 1 14 PHE QE 4.280 . 4.710 3.746 2.434 4.534 . 0 0 "[ . 1 . 2]" 1
114 1 12 ARG QB 1 14 PHE HZ 4.750 . 5.220 4.192 2.636 5.138 . 0 0 "[ . 1 . 2]" 1
115 1 12 ARG QB 1 64 ILE MG 4.480 . 4.930 4.079 3.014 4.615 . 0 0 "[ . 1 . 2]" 1
116 1 12 ARG QD 1 14 PHE HZ 4.750 . 5.220 3.139 2.269 4.789 . 0 0 "[ . 1 . 2]" 1
117 1 12 ARG QD 1 64 ILE MG 3.750 . 4.130 2.557 1.824 3.663 . 0 0 "[ . 1 . 2]" 1
118 1 12 ARG HD2 1 14 PHE HZ 5.500 . 6.050 3.643 2.735 5.327 . 0 0 "[ . 1 . 2]" 1
119 1 12 ARG HD2 1 64 ILE MG 4.290 . 4.720 2.999 1.852 4.319 . 0 0 "[ . 1 . 2]" 1
120 1 12 ARG HD3 1 14 PHE HZ 5.500 . 6.050 3.907 2.320 5.428 . 0 0 "[ . 1 . 2]" 1
121 1 12 ARG HD3 1 64 ILE MG 4.290 . 4.720 3.250 2.213 4.110 . 0 0 "[ . 1 . 2]" 1
122 1 12 ARG HE 1 12 ARG QG 3.690 . 4.060 2.512 2.259 2.758 . 0 0 "[ . 1 . 2]" 1
123 1 12 ARG HE 1 64 ILE MG 4.240 . 4.660 3.424 2.065 4.424 . 0 0 "[ . 1 . 2]" 1
124 1 12 ARG QG 1 14 PHE QD 4.280 . 4.710 3.973 3.505 4.828 0.118 16 0 "[ . 1 . 2]" 1
125 1 12 ARG QG 1 14 PHE QE 4.520 . 4.970 3.068 2.403 3.781 . 0 0 "[ . 1 . 2]" 1
126 1 12 ARG QG 1 64 ILE MG 3.720 . 4.090 2.457 2.047 3.397 . 0 0 "[ . 1 . 2]" 1
127 1 12 ARG HG2 1 13 LEU H 4.250 . 4.680 3.679 2.711 4.788 0.108 1 0 "[ . 1 . 2]" 1
128 1 12 ARG HG2 1 64 ILE MG 4.260 . 4.690 2.938 2.415 3.905 . 0 0 "[ . 1 . 2]" 1
129 1 12 ARG HG3 1 13 LEU H 4.250 . 4.680 3.355 2.720 4.771 0.091 16 0 "[ . 1 . 2]" 1
130 1 12 ARG HG3 1 64 ILE MG 4.260 . 4.690 2.713 2.093 4.428 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU H 1 13 LEU QB 3.420 . 3.760 2.530 2.377 2.647 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU H 1 13 LEU MD1 4.660 . 5.130 4.436 4.018 4.719 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU H 1 13 LEU MD2 4.260 . 4.690 4.257 3.891 4.450 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU H 1 13 LEU HG 4.940 . 5.430 4.222 3.043 4.846 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU H 1 14 PHE H 4.750 . 5.220 4.397 4.243 4.501 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU H 1 64 ILE MG 4.210 . 4.630 4.012 3.528 4.570 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU H 1 65 ILE H 4.060 . 4.470 3.436 3.053 3.659 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU H 1 65 ILE MD 4.600 . 5.060 4.039 3.646 4.787 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU H 1 65 ILE HG13 4.050 . 4.460 2.725 2.408 3.405 . 0 0 "[ . 1 . 2]" 1
140 1 13 LEU H 1 66 GLU HA 4.140 . 4.550 3.611 3.188 4.258 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU HA 1 13 LEU MD2 3.540 . 3.890 2.532 2.021 3.101 . 0 0 "[ . 1 . 2]" 1
142 1 13 LEU HA 1 14 PHE H 3.040 . 3.340 2.258 2.156 2.467 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU QB 1 14 PHE H 3.510 . 3.860 3.256 2.102 3.797 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU QB 1 35 LEU MD2 4.120 . 4.530 2.809 2.125 3.411 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU QB 1 65 ILE MD 4.470 . 4.920 2.129 1.908 2.704 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU MD1 1 14 PHE H 4.960 . 5.460 4.557 4.242 4.828 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU MD1 1 35 LEU MD2 3.660 . 4.030 2.807 2.332 3.818 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU MD1 1 45 VAL MG1 3.940 . 4.330 3.130 1.985 3.963 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU MD1 1 45 VAL MG2 4.360 . 4.800 3.074 1.902 4.459 . 0 0 "[ . 1 . 2]" 1
150 1 13 LEU MD1 1 65 ILE MD 3.690 . 4.060 2.376 1.918 2.792 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU MD1 1 65 ILE HG13 5.200 . 5.720 3.824 3.040 4.398 . 0 0 "[ . 1 . 2]" 1
152 1 13 LEU MD1 1 76 PHE QD 3.920 . 4.310 3.064 2.527 3.959 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU MD1 1 76 PHE QE 4.270 . 4.700 3.440 2.456 4.602 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU MD2 1 14 PHE H 3.800 . 4.180 2.410 1.773 3.324 0.027 1 0 "[ . 1 . 2]" 1
155 1 13 LEU HG 1 14 PHE H 4.020 . 4.420 3.943 3.192 4.752 0.332 17 0 "[ . 1 . 2]" 1
156 1 14 PHE H 1 14 PHE QB 3.430 . 3.770 2.647 2.527 2.852 . 0 0 "[ . 1 . 2]" 1
157 1 14 PHE H 1 14 PHE QD 3.680 . 4.050 2.677 2.205 3.456 . 0 0 "[ . 1 . 2]" 1
158 1 14 PHE H 1 35 LEU MD2 4.580 . 5.040 3.960 2.974 4.756 . 0 0 "[ . 1 . 2]" 1
159 1 14 PHE HA 1 14 PHE QD 3.800 . 4.180 3.109 2.739 3.255 . 0 0 "[ . 1 . 2]" 1
160 1 14 PHE HA 1 15 GLY H 3.010 . 3.310 2.259 2.192 2.329 . 0 0 "[ . 1 . 2]" 1
161 1 14 PHE HA 1 64 ILE HA 3.900 . 4.290 2.660 2.408 2.931 . 0 0 "[ . 1 . 2]" 1
162 1 14 PHE HA 1 64 ILE HG12 4.840 . 5.320 3.531 3.106 3.970 . 0 0 "[ . 1 . 2]" 1
163 1 14 PHE HA 1 64 ILE MG 4.500 . 4.950 3.706 3.352 4.065 . 0 0 "[ . 1 . 2]" 1
164 1 14 PHE HA 1 65 ILE H 4.390 . 4.830 3.658 3.296 4.072 . 0 0 "[ . 1 . 2]" 1
165 1 14 PHE QB 1 15 GLY H 3.670 . 4.040 3.081 2.771 3.607 . 0 0 "[ . 1 . 2]" 1
166 1 14 PHE QB 1 64 ILE HA 4.960 . 5.460 4.305 3.898 4.657 . 0 0 "[ . 1 . 2]" 1
167 1 14 PHE QB 1 64 ILE HG12 4.390 . 4.830 3.656 2.738 4.108 . 0 0 "[ . 1 . 2]" 1
168 1 14 PHE QB 1 64 ILE MG 4.680 . 5.150 4.331 3.923 4.648 . 0 0 "[ . 1 . 2]" 1
169 1 14 PHE QD 1 15 GLY H 4.410 . 4.850 4.452 4.219 4.938 0.088 16 0 "[ . 1 . 2]" 1
170 1 14 PHE QD 1 64 ILE HA 3.870 . 4.260 3.715 3.051 4.176 . 0 0 "[ . 1 . 2]" 1
171 1 14 PHE QD 1 64 ILE MD 3.870 . 4.260 2.921 2.505 3.382 . 0 0 "[ . 1 . 2]" 1
172 1 14 PHE QD 1 64 ILE HG12 3.540 . 3.890 2.022 1.821 2.331 . 0 0 "[ . 1 . 2]" 1
173 1 14 PHE QD 1 64 ILE HG13 3.890 . 4.280 3.660 3.450 3.921 . 0 0 "[ . 1 . 2]" 1
174 1 14 PHE QD 1 64 ILE MG 3.790 . 4.170 2.978 1.873 3.654 . 0 0 "[ . 1 . 2]" 1
175 1 14 PHE QE 1 64 ILE HB 5.330 . 5.860 4.906 4.658 5.180 . 0 0 "[ . 1 . 2]" 1
176 1 14 PHE QE 1 64 ILE MD 4.230 . 4.650 2.359 2.097 3.681 . 0 0 "[ . 1 . 2]" 1
177 1 14 PHE QE 1 64 ILE HG12 4.190 . 4.610 3.216 2.658 4.066 . 0 0 "[ . 1 . 2]" 1
178 1 14 PHE QE 1 64 ILE MG 4.350 . 4.790 2.681 2.321 3.260 . 0 0 "[ . 1 . 2]" 1
179 1 14 PHE HZ 1 64 ILE MG 4.690 . 5.160 3.714 3.250 4.369 . 0 0 "[ . 1 . 2]" 1
180 1 15 GLY H 1 16 THR H 4.580 . 5.040 4.339 4.182 4.389 . 0 0 "[ . 1 . 2]" 1
181 1 15 GLY H 1 35 LEU MD1 3.710 . 4.080 3.176 2.445 3.511 . 0 0 "[ . 1 . 2]" 1
182 1 15 GLY H 1 35 LEU MD2 4.430 . 4.870 3.437 2.238 3.983 . 0 0 "[ . 1 . 2]" 1
183 1 15 GLY H 1 62 GLU HA 4.830 . 5.310 4.788 4.379 5.185 . 0 0 "[ . 1 . 2]" 1
184 1 15 GLY H 1 63 VAL H 4.160 . 4.580 3.557 3.149 3.804 . 0 0 "[ . 1 . 2]" 1
185 1 15 GLY H 1 63 VAL MG2 4.190 . 4.610 3.704 3.247 4.142 . 0 0 "[ . 1 . 2]" 1
186 1 15 GLY H 1 64 ILE HA 4.320 . 4.750 3.862 3.535 4.209 . 0 0 "[ . 1 . 2]" 1
187 1 15 GLY H 1 64 ILE HG12 4.900 . 5.390 4.615 4.047 5.162 . 0 0 "[ . 1 . 2]" 1
188 1 15 GLY QA 1 35 LEU MD1 3.960 . 4.360 2.486 2.156 2.791 . 0 0 "[ . 1 . 2]" 1
189 1 15 GLY QA 1 35 LEU MD2 4.720 . 5.190 2.757 2.396 3.127 . 0 0 "[ . 1 . 2]" 1
190 1 15 GLY QA 1 36 GLU H 4.860 . 5.350 4.335 3.879 4.818 . 0 0 "[ . 1 . 2]" 1
191 1 15 GLY HA2 1 16 THR H 3.410 . 3.750 2.710 2.509 2.895 . 0 0 "[ . 1 . 2]" 1
192 1 15 GLY HA2 1 35 LEU MD1 4.620 . 5.080 3.802 3.581 4.026 . 0 0 "[ . 1 . 2]" 1
193 1 15 GLY HA2 1 35 LEU HG 4.820 . 5.300 4.163 3.804 4.634 . 0 0 "[ . 1 . 2]" 1
194 1 15 GLY HA3 1 16 THR H 3.410 . 3.750 2.407 2.276 2.575 . 0 0 "[ . 1 . 2]" 1
195 1 15 GLY HA3 1 35 LEU MD1 4.620 . 5.080 2.522 2.174 2.857 . 0 0 "[ . 1 . 2]" 1
196 1 15 GLY HA3 1 35 LEU HG 4.820 . 5.300 2.475 2.117 2.927 . 0 0 "[ . 1 . 2]" 1
197 1 16 THR H 1 16 THR HB 3.620 . 3.980 2.718 2.625 2.835 . 0 0 "[ . 1 . 2]" 1
198 1 16 THR H 1 16 THR MG 3.960 . 4.360 3.928 3.895 3.964 . 0 0 "[ . 1 . 2]" 1
199 1 16 THR H 1 35 LEU HA 4.480 . 4.930 4.382 3.959 4.691 . 0 0 "[ . 1 . 2]" 1
200 1 16 THR H 1 35 LEU HB3 5.500 . 6.050 5.767 5.496 6.116 0.066 8 0 "[ . 1 . 2]" 1
201 1 16 THR H 1 35 LEU MD1 4.010 . 4.410 2.933 2.691 3.239 . 0 0 "[ . 1 . 2]" 1
202 1 16 THR H 1 35 LEU MD2 4.570 . 5.030 4.459 4.227 4.733 . 0 0 "[ . 1 . 2]" 1
203 1 16 THR H 1 35 LEU HG 4.310 . 4.740 3.416 3.178 3.717 . 0 0 "[ . 1 . 2]" 1
204 1 16 THR H 1 36 GLU H 3.890 . 4.280 3.288 2.819 3.680 . 0 0 "[ . 1 . 2]" 1
205 1 16 THR H 1 36 GLU HB2 4.570 . 5.030 3.142 2.395 3.883 . 0 0 "[ . 1 . 2]" 1
206 1 16 THR H 1 36 GLU QB 3.880 . 4.270 3.085 2.379 3.765 . 0 0 "[ . 1 . 2]" 1
207 1 16 THR H 1 36 GLU HB3 4.570 . 5.030 4.553 4.061 5.065 0.035 8 0 "[ . 1 . 2]" 1
208 1 16 THR H 1 36 GLU HG3 5.500 . 6.050 4.869 4.083 5.490 . 0 0 "[ . 1 . 2]" 1
209 1 16 THR HA 1 17 VAL H 3.080 . 3.390 2.244 2.155 2.289 . 0 0 "[ . 1 . 2]" 1
210 1 16 THR HA 1 17 VAL MG2 4.460 . 4.910 3.491 3.381 3.614 . 0 0 "[ . 1 . 2]" 1
211 1 16 THR HA 1 62 GLU HA 3.980 . 4.380 1.993 1.762 2.552 0.038 17 0 "[ . 1 . 2]" 1
212 1 16 THR HA 1 63 VAL H 3.910 . 4.300 2.855 2.535 3.285 . 0 0 "[ . 1 . 2]" 1
213 1 16 THR HB 1 17 VAL H 3.930 . 4.320 3.930 3.784 4.086 . 0 0 "[ . 1 . 2]" 1
214 1 16 THR HB 1 36 GLU H 4.810 . 5.290 4.206 3.957 4.478 . 0 0 "[ . 1 . 2]" 1
215 1 16 THR HB 1 36 GLU HB2 4.830 . 5.310 2.823 2.279 3.514 . 0 0 "[ . 1 . 2]" 1
216 1 16 THR HB 1 36 GLU QB 3.970 . 4.370 2.786 2.259 3.447 . 0 0 "[ . 1 . 2]" 1
217 1 16 THR HB 1 36 GLU HB3 4.830 . 5.310 4.312 3.708 4.989 . 0 0 "[ . 1 . 2]" 1
218 1 16 THR HB 1 36 GLU HG3 5.500 . 6.050 4.410 3.129 5.459 . 0 0 "[ . 1 . 2]" 1
219 1 16 THR MG 1 17 VAL H 3.530 . 3.880 2.408 2.289 2.597 . 0 0 "[ . 1 . 2]" 1
220 1 16 THR MG 1 60 GLY H 4.100 . 4.510 3.658 2.866 4.151 . 0 0 "[ . 1 . 2]" 1
221 1 16 THR MG 1 60 GLY HA2 4.460 . 4.910 2.816 2.506 3.222 . 0 0 "[ . 1 . 2]" 1
222 1 16 THR MG 1 60 GLY QA 3.860 . 4.250 2.765 2.473 3.143 . 0 0 "[ . 1 . 2]" 1
223 1 16 THR MG 1 60 GLY HA3 4.460 . 4.910 4.046 3.767 4.481 . 0 0 "[ . 1 . 2]" 1
224 1 16 THR MG 1 62 GLU HG2 4.550 . 5.010 3.194 2.350 5.083 0.073 12 0 "[ . 1 . 2]" 1
225 1 16 THR MG 1 62 GLU QG 3.940 . 4.330 2.899 2.170 4.386 0.056 12 0 "[ . 1 . 2]" 1
226 1 16 THR MG 1 62 GLU HG3 4.550 . 5.010 3.429 2.551 4.983 . 0 0 "[ . 1 . 2]" 1
227 1 16 THR MG 1 63 VAL H 4.540 . 4.990 4.486 4.083 4.996 0.006 4 0 "[ . 1 . 2]" 1
228 1 17 VAL H 1 17 VAL HB 3.410 . 3.750 2.539 2.456 2.641 . 0 0 "[ . 1 . 2]" 1
229 1 17 VAL H 1 17 VAL MG1 4.050 . 4.460 3.816 3.776 3.838 . 0 0 "[ . 1 . 2]" 1
230 1 17 VAL H 1 17 VAL MG2 3.190 . 3.510 2.156 2.003 2.392 . 0 0 "[ . 1 . 2]" 1
231 1 17 VAL H 1 18 ALA H 4.850 . 5.330 4.486 4.396 4.573 . 0 0 "[ . 1 . 2]" 1
232 1 17 VAL H 1 60 GLY H 4.390 . 4.830 3.811 3.375 4.399 . 0 0 "[ . 1 . 2]" 1
233 1 17 VAL H 1 60 GLY QA 4.890 . 5.380 4.311 3.720 4.782 . 0 0 "[ . 1 . 2]" 1
234 1 17 VAL H 1 61 VAL H 4.280 . 4.710 3.872 2.939 4.288 . 0 0 "[ . 1 . 2]" 1
235 1 17 VAL H 1 61 VAL MG1 5.040 . 5.540 3.695 3.074 4.796 . 0 0 "[ . 1 . 2]" 1
236 1 17 VAL H 1 62 GLU HA 4.150 . 4.570 3.407 3.049 3.948 . 0 0 "[ . 1 . 2]" 1
237 1 17 VAL H 1 63 VAL MG2 4.290 . 4.720 3.529 3.167 3.982 . 0 0 "[ . 1 . 2]" 1
238 1 17 VAL HA 1 18 ALA H 3.100 . 3.410 2.177 2.140 2.214 . 0 0 "[ . 1 . 2]" 1
239 1 17 VAL HA 1 18 ALA MB 4.570 . 5.030 4.063 4.013 4.133 . 0 0 "[ . 1 . 2]" 1
240 1 17 VAL HA 1 33 PHE QD 3.650 . 4.020 2.797 2.437 3.206 . 0 0 "[ . 1 . 2]" 1
241 1 17 VAL HA 1 35 LEU HA 4.580 . 5.040 3.014 2.725 3.360 . 0 0 "[ . 1 . 2]" 1
242 1 17 VAL HA 1 36 GLU H 4.770 . 5.250 3.755 3.377 4.115 . 0 0 "[ . 1 . 2]" 1
243 1 17 VAL HB 1 18 ALA H 4.850 . 5.330 4.255 4.131 4.339 . 0 0 "[ . 1 . 2]" 1
244 1 17 VAL HB 1 60 GLY H 3.560 . 3.920 2.373 1.816 3.216 . 0 0 "[ . 1 . 2]" 1
245 1 17 VAL HB 1 60 GLY QA 4.340 . 4.770 4.085 3.508 4.761 . 0 0 "[ . 1 . 2]" 1
246 1 17 VAL HB 1 61 VAL H 3.660 . 4.030 2.936 2.659 3.299 . 0 0 "[ . 1 . 2]" 1
247 1 17 VAL MG1 1 18 ALA H 3.760 . 4.140 2.883 2.663 3.096 . 0 0 "[ . 1 . 2]" 1
248 1 17 VAL MG1 1 22 LEU MD1 3.560 . 3.920 2.054 1.943 2.179 . 0 0 "[ . 1 . 2]" 1
249 1 17 VAL MG1 1 33 PHE HB2 4.640 . 5.100 2.502 1.988 3.301 . 0 0 "[ . 1 . 2]" 1
250 1 17 VAL MG1 1 33 PHE QB 4.070 . 4.480 2.421 1.951 3.144 . 0 0 "[ . 1 . 2]" 1
251 1 17 VAL MG1 1 33 PHE HB3 4.640 . 5.100 3.275 2.829 3.953 . 0 0 "[ . 1 . 2]" 1
252 1 17 VAL MG1 1 33 PHE QD 3.010 . 3.310 2.522 2.333 2.858 . 0 0 "[ . 1 . 2]" 1
253 1 17 VAL MG1 1 34 ARG H 4.650 . 5.120 4.143 3.622 4.889 . 0 0 "[ . 1 . 2]" 1
254 1 17 VAL MG1 1 57 PHE QE 4.090 . 4.500 2.878 2.527 3.140 . 0 0 "[ . 1 . 2]" 1
255 1 17 VAL MG1 1 57 PHE HZ 3.900 . 4.290 2.637 2.454 2.810 . 0 0 "[ . 1 . 2]" 1
256 1 17 VAL MG1 1 59 PRO HA 3.780 . 4.160 2.494 2.203 2.962 . 0 0 "[ . 1 . 2]" 1
257 1 17 VAL MG1 1 60 GLY H 3.920 . 4.310 3.164 2.706 3.964 . 0 0 "[ . 1 . 2]" 1
258 1 17 VAL MG1 1 61 VAL H 4.410 . 4.850 4.206 3.860 4.686 . 0 0 "[ . 1 . 2]" 1
259 1 17 VAL MG2 1 18 ALA H 4.530 . 4.980 4.176 4.053 4.296 . 0 0 "[ . 1 . 2]" 1
260 1 17 VAL MG2 1 33 PHE QD 3.830 . 4.210 3.068 2.633 3.698 . 0 0 "[ . 1 . 2]" 1
261 1 17 VAL MG2 1 33 PHE QE 3.570 . 3.930 2.658 2.447 3.044 . 0 0 "[ . 1 . 2]" 1
262 1 17 VAL MG2 1 57 PHE QE 4.050 . 4.460 2.213 1.818 2.545 . 0 0 "[ . 1 . 2]" 1
263 1 17 VAL MG2 1 57 PHE HZ 4.220 . 4.640 3.472 2.921 3.971 . 0 0 "[ . 1 . 2]" 1
264 1 17 VAL MG2 1 58 LYS H 4.630 . 5.090 3.792 3.032 4.492 . 0 0 "[ . 1 . 2]" 1
265 1 17 VAL MG2 1 60 GLY H 4.470 . 4.920 3.993 3.552 4.766 . 0 0 "[ . 1 . 2]" 1
266 1 17 VAL MG2 1 61 VAL H 4.130 . 4.540 3.751 3.342 4.079 . 0 0 "[ . 1 . 2]" 1
267 1 17 VAL MG2 1 61 VAL MG1 3.920 . 4.310 2.386 2.125 3.762 . 0 0 "[ . 1 . 2]" 1
268 1 17 VAL MG2 1 61 VAL MG2 4.580 . 5.040 4.254 4.004 4.605 . 0 0 "[ . 1 . 2]" 1
269 1 17 VAL MG2 1 63 VAL MG1 3.520 . 3.870 2.096 1.999 2.206 . 0 0 "[ . 1 . 2]" 1
270 1 17 VAL MG2 1 63 VAL MG2 3.690 . 4.060 2.159 1.977 2.397 . 0 0 "[ . 1 . 2]" 1
271 1 18 ALA H 1 18 ALA MB 3.270 . 3.600 2.281 2.240 2.344 . 0 0 "[ . 1 . 2]" 1
272 1 18 ALA H 1 19 ALA H 4.630 . 5.090 4.581 4.532 4.622 . 0 0 "[ . 1 . 2]" 1
273 1 18 ALA H 1 22 LEU MD1 4.800 . 5.280 4.820 4.399 5.331 0.051 9 0 "[ . 1 . 2]" 1
274 1 18 ALA H 1 33 PHE QD 3.880 . 4.270 3.434 2.885 4.012 . 0 0 "[ . 1 . 2]" 1
275 1 18 ALA H 1 34 ARG QG 5.060 . 5.570 4.429 3.321 5.759 0.189 11 0 "[ . 1 . 2]" 1
276 1 18 ALA H 1 35 LEU HA 4.290 . 4.720 3.477 3.094 3.970 . 0 0 "[ . 1 . 2]" 1
277 1 18 ALA H 1 36 GLU H 4.740 . 5.210 3.688 3.169 4.295 . 0 0 "[ . 1 . 2]" 1
278 1 18 ALA HA 1 19 ALA H 2.950 . 3.250 2.226 2.151 2.312 . 0 0 "[ . 1 . 2]" 1
279 1 18 ALA HA 1 20 ASP H 4.070 . 4.480 3.817 3.538 4.146 . 0 0 "[ . 1 . 2]" 1
280 1 18 ALA MB 1 20 ASP H 3.290 . 3.620 2.551 2.235 3.189 . 0 0 "[ . 1 . 2]" 1
281 1 18 ALA MB 1 20 ASP QB 4.330 . 4.760 3.165 2.599 3.963 . 0 0 "[ . 1 . 2]" 1
282 1 18 ALA MB 1 34 ARG H 4.570 . 5.030 3.272 2.664 3.704 . 0 0 "[ . 1 . 2]" 1
283 1 18 ALA MB 1 34 ARG HB2 4.240 . 4.660 3.545 1.946 4.368 . 0 0 "[ . 1 . 2]" 1
284 1 18 ALA MB 1 34 ARG QB 3.650 . 4.020 2.836 1.879 3.983 . 0 0 "[ . 1 . 2]" 1
285 1 18 ALA MB 1 34 ARG HB3 4.240 . 4.660 3.296 1.890 4.711 0.051 2 0 "[ . 1 . 2]" 1
286 1 18 ALA MB 1 34 ARG QD 4.810 . 5.290 3.443 2.354 4.349 . 0 0 "[ . 1 . 2]" 1
287 1 18 ALA MB 1 34 ARG HE 4.490 . 4.940 3.196 2.066 4.766 . 0 0 "[ . 1 . 2]" 1
288 1 18 ALA MB 1 34 ARG HG2 5.130 . 5.640 3.209 2.118 4.749 . 0 0 "[ . 1 . 2]" 1
289 1 18 ALA MB 1 34 ARG QG 4.470 . 4.920 2.802 1.756 4.098 0.044 5 0 "[ . 1 . 2]" 1
290 1 18 ALA MB 1 34 ARG HG3 5.130 . 5.640 3.353 1.763 4.606 0.037 5 0 "[ . 1 . 2]" 1
291 1 18 ALA MB 1 36 GLU H 4.990 . 5.490 3.812 3.383 4.431 . 0 0 "[ . 1 . 2]" 1
292 1 18 ALA MB 1 36 GLU HG2 4.420 . 4.860 2.954 2.397 3.645 . 0 0 "[ . 1 . 2]" 1
293 1 18 ALA MB 1 36 GLU HG3 3.920 . 4.310 2.314 1.841 3.236 . 0 0 "[ . 1 . 2]" 1
294 1 18 ALA MB 1 44 THR MG 4.410 . 4.850 3.658 2.587 4.514 . 0 0 "[ . 1 . 2]" 1
295 1 19 ALA H 1 19 ALA MB 2.770 . 3.050 2.269 2.240 2.307 . 0 0 "[ . 1 . 2]" 1
296 1 19 ALA H 1 20 ASP H 3.240 . 3.560 2.448 2.269 2.895 . 0 0 "[ . 1 . 2]" 1
297 1 19 ALA H 1 20 ASP QB 4.790 . 5.270 4.352 4.020 4.761 . 0 0 "[ . 1 . 2]" 1
298 1 19 ALA H 1 59 PRO HB2 4.900 . 5.390 4.557 3.472 5.402 0.012 20 0 "[ . 1 . 2]" 1
299 1 19 ALA H 1 59 PRO QB 4.060 . 4.470 3.859 2.997 4.372 . 0 0 "[ . 1 . 2]" 1
300 1 19 ALA H 1 59 PRO HB3 4.900 . 5.390 4.304 3.175 5.324 . 0 0 "[ . 1 . 2]" 1
301 1 19 ALA HA 1 22 LEU QB 4.070 . 4.480 3.278 2.275 3.958 . 0 0 "[ . 1 . 2]" 1
302 1 19 ALA HA 1 22 LEU MD1 4.520 . 4.970 3.289 2.391 4.271 . 0 0 "[ . 1 . 2]" 1
303 1 19 ALA HA 1 59 PRO HB2 4.290 . 4.720 3.056 1.850 4.129 . 0 0 "[ . 1 . 2]" 1
304 1 19 ALA HA 1 59 PRO QB 3.510 . 3.860 2.070 1.789 2.467 0.011 18 0 "[ . 1 . 2]" 1
305 1 19 ALA HA 1 59 PRO HB3 4.290 . 4.720 2.199 1.805 2.569 . 0 0 "[ . 1 . 2]" 1
306 1 19 ALA HA 1 59 PRO HG2 4.910 . 5.400 4.430 3.829 5.163 . 0 0 "[ . 1 . 2]" 1
307 1 19 ALA HA 1 59 PRO QG 4.030 . 4.430 3.582 2.847 4.159 . 0 0 "[ . 1 . 2]" 1
308 1 19 ALA HA 1 59 PRO HG3 4.910 . 5.400 3.823 2.888 4.462 . 0 0 "[ . 1 . 2]" 1
309 1 19 ALA MB 1 20 ASP H 3.570 . 3.930 2.885 2.401 3.614 . 0 0 "[ . 1 . 2]" 1
310 1 19 ALA MB 1 20 ASP QB 4.830 . 5.310 4.087 3.574 4.790 . 0 0 "[ . 1 . 2]" 1
311 1 19 ALA MB 1 22 LEU QB 4.470 . 4.920 4.466 3.529 5.114 0.194 19 0 "[ . 1 . 2]" 1
312 1 19 ALA MB 1 59 PRO HB2 4.360 . 4.800 2.559 2.006 3.096 . 0 0 "[ . 1 . 2]" 1
313 1 19 ALA MB 1 59 PRO QB 3.640 . 4.000 2.293 1.955 2.651 . 0 0 "[ . 1 . 2]" 1
314 1 19 ALA MB 1 59 PRO HB3 4.360 . 4.800 2.865 2.026 3.849 . 0 0 "[ . 1 . 2]" 1
315 1 19 ALA MB 1 59 PRO HG2 4.570 . 5.030 3.946 3.487 4.342 . 0 0 "[ . 1 . 2]" 1
316 1 19 ALA MB 1 59 PRO HG3 4.570 . 5.030 4.029 2.987 4.873 . 0 0 "[ . 1 . 2]" 1
317 1 20 ASP H 1 20 ASP QB 2.970 . 3.270 2.425 2.248 2.661 . 0 0 "[ . 1 . 2]" 1
318 1 20 ASP H 1 21 GLY H 4.590 . 5.050 4.220 2.951 4.506 . 0 0 "[ . 1 . 2]" 1
319 1 20 ASP HA 1 21 GLY H 3.100 . 3.410 2.195 2.110 2.754 . 0 0 "[ . 1 . 2]" 1
320 1 20 ASP HA 1 22 LEU H 4.260 . 4.690 3.893 3.411 4.728 0.038 6 0 "[ . 1 . 2]" 1
321 1 20 ASP QB 1 21 GLY H 3.870 . 4.260 3.734 3.138 4.003 . 0 0 "[ . 1 . 2]" 1
322 1 21 GLY H 1 22 LEU H 3.620 . 3.980 2.407 1.823 2.634 . 0 0 "[ . 1 . 2]" 1
323 1 21 GLY QA 1 46 TRP HH2 3.310 . 3.640 2.293 1.795 3.141 0.005 15 0 "[ . 1 . 2]" 1
324 1 21 GLY QA 1 46 TRP HZ2 4.990 . 5.490 4.181 3.753 4.602 . 0 0 "[ . 1 . 2]" 1
325 1 21 GLY QA 1 46 TRP HZ3 3.910 . 4.300 2.829 2.227 3.997 . 0 0 "[ . 1 . 2]" 1
326 1 21 GLY HA2 1 46 TRP HH2 3.850 . 4.230 2.926 2.563 3.607 . 0 0 "[ . 1 . 2]" 1
327 1 21 GLY HA3 1 46 TRP HH2 3.850 . 4.230 2.504 1.808 4.232 0.002 19 0 "[ . 1 . 2]" 1
328 1 22 LEU H 1 22 LEU QB 3.010 . 3.310 2.404 2.201 2.756 . 0 0 "[ . 1 . 2]" 1
329 1 22 LEU H 1 22 LEU MD1 4.660 . 5.130 4.472 4.261 4.840 . 0 0 "[ . 1 . 2]" 1
330 1 22 LEU H 1 22 LEU MD2 5.030 . 5.530 4.346 4.275 4.396 . 0 0 "[ . 1 . 2]" 1
331 1 22 LEU H 1 22 LEU HG 4.580 . 5.040 4.591 4.398 4.862 . 0 0 "[ . 1 . 2]" 1
332 1 22 LEU H 1 23 THR H 4.720 . 5.190 4.152 3.811 4.362 . 0 0 "[ . 1 . 2]" 1
333 1 22 LEU HA 1 22 LEU MD1 4.420 . 4.860 3.820 3.747 3.878 . 0 0 "[ . 1 . 2]" 1
334 1 22 LEU HA 1 23 THR H 3.220 . 3.540 2.157 2.092 2.221 . 0 0 "[ . 1 . 2]" 1
335 1 22 LEU HA 1 33 PHE HA 4.450 . 4.890 2.368 2.168 2.688 . 0 0 "[ . 1 . 2]" 1
336 1 22 LEU HA 1 33 PHE QD 4.850 . 5.330 4.742 4.426 5.080 . 0 0 "[ . 1 . 2]" 1
337 1 22 LEU QB 1 23 THR H 4.410 . 4.850 3.926 3.776 4.014 . 0 0 "[ . 1 . 2]" 1
338 1 22 LEU MD1 1 33 PHE HA 5.500 . 6.050 4.976 4.334 5.655 . 0 0 "[ . 1 . 2]" 1
339 1 22 LEU MD1 1 33 PHE HB2 4.430 . 4.870 3.700 3.259 4.260 . 0 0 "[ . 1 . 2]" 1
340 1 22 LEU MD1 1 33 PHE QB 3.860 . 4.250 3.279 2.781 3.813 . 0 0 "[ . 1 . 2]" 1
341 1 22 LEU MD1 1 33 PHE HB3 4.430 . 4.870 3.670 3.017 4.326 . 0 0 "[ . 1 . 2]" 1
342 1 22 LEU MD1 1 34 ARG H 5.450 . 6.000 5.189 4.644 6.018 0.018 19 0 "[ . 1 . 2]" 1
343 1 22 LEU MD1 1 57 PHE QE 3.960 . 4.360 2.584 2.198 3.102 . 0 0 "[ . 1 . 2]" 1
344 1 22 LEU MD1 1 57 PHE HZ 4.010 . 4.410 3.116 2.438 3.703 . 0 0 "[ . 1 . 2]" 1
345 1 22 LEU MD1 1 58 LYS HA 4.590 . 5.050 3.740 3.079 4.545 . 0 0 "[ . 1 . 2]" 1
346 1 22 LEU MD1 1 59 PRO HA 4.710 . 5.180 2.695 2.219 3.710 . 0 0 "[ . 1 . 2]" 1
347 1 22 LEU MD1 1 59 PRO QD 3.960 . 4.360 2.615 2.038 3.453 . 0 0 "[ . 1 . 2]" 1
348 1 22 LEU MD1 1 59 PRO QG 4.220 . 4.640 2.598 1.775 3.352 0.025 4 0 "[ . 1 . 2]" 1
349 1 22 LEU MD2 1 23 THR H 3.610 . 3.970 2.984 2.459 3.489 . 0 0 "[ . 1 . 2]" 1
350 1 22 LEU MD2 1 24 MET H 4.420 . 4.860 3.838 3.401 4.354 . 0 0 "[ . 1 . 2]" 1
351 1 22 LEU MD2 1 24 MET ME 3.720 . 4.090 3.255 1.893 4.156 0.066 9 0 "[ . 1 . 2]" 1
352 1 22 LEU MD2 1 24 MET QG 4.850 . 5.330 2.853 2.121 3.733 . 0 0 "[ . 1 . 2]" 1
353 1 22 LEU MD2 1 33 PHE HA 5.500 . 6.050 4.538 3.859 4.932 . 0 0 "[ . 1 . 2]" 1
354 1 22 LEU MD2 1 57 PHE QE 4.520 . 4.970 2.118 1.751 2.758 0.049 15 0 "[ . 1 . 2]" 1
355 1 22 LEU HG 1 23 THR H 4.240 . 4.660 3.929 3.430 4.425 . 0 0 "[ . 1 . 2]" 1
356 1 22 LEU HG 1 33 PHE QD 3.890 . 4.280 4.096 3.555 4.377 0.097 12 0 "[ . 1 . 2]" 1
357 1 23 THR H 1 23 THR HB 3.990 . 4.390 2.787 2.504 3.748 . 0 0 "[ . 1 . 2]" 1
358 1 23 THR H 1 23 THR MG 4.260 . 4.690 3.899 3.316 4.020 . 0 0 "[ . 1 . 2]" 1
359 1 23 THR H 1 24 MET H 4.880 . 5.370 4.302 4.234 4.373 . 0 0 "[ . 1 . 2]" 1
360 1 23 THR H 1 32 ARG H 4.170 . 4.590 3.781 3.135 4.202 . 0 0 "[ . 1 . 2]" 1
361 1 23 THR H 1 32 ARG QB 4.550 . 5.010 3.611 2.965 4.216 . 0 0 "[ . 1 . 2]" 1
362 1 23 THR H 1 33 PHE HA 4.600 . 5.060 3.286 2.872 3.741 . 0 0 "[ . 1 . 2]" 1
363 1 23 THR HA 1 23 THR MG 3.580 . 3.940 2.420 2.331 2.476 . 0 0 "[ . 1 . 2]" 1
364 1 23 THR HA 1 24 MET H 2.980 . 3.280 2.212 2.158 2.282 . 0 0 "[ . 1 . 2]" 1
365 1 23 THR HB 1 24 MET H 4.190 . 4.610 4.154 3.298 4.430 . 0 0 "[ . 1 . 2]" 1
366 1 23 THR HB 1 32 ARG HB2 4.660 . 5.130 4.557 3.455 5.195 0.065 4 0 "[ . 1 . 2]" 1
367 1 23 THR HB 1 32 ARG QB 3.880 . 4.270 2.893 1.829 3.785 . 0 0 "[ . 1 . 2]" 1
368 1 23 THR HB 1 32 ARG HB3 4.660 . 5.130 2.928 1.836 3.888 . 0 0 "[ . 1 . 2]" 1
369 1 23 THR MG 1 24 MET H 3.780 . 4.160 2.876 2.438 3.781 . 0 0 "[ . 1 . 2]" 1
370 1 24 MET H 1 24 MET HB2 3.850 . 4.230 2.517 2.334 2.625 . 0 0 "[ . 1 . 2]" 1
371 1 24 MET H 1 24 MET QB 3.240 . 3.560 2.475 2.306 2.571 . 0 0 "[ . 1 . 2]" 1
372 1 24 MET H 1 24 MET HB3 3.850 . 4.230 3.673 3.600 3.738 . 0 0 "[ . 1 . 2]" 1
373 1 24 MET H 1 24 MET HG2 4.020 . 4.420 2.949 2.261 3.885 . 0 0 "[ . 1 . 2]" 1
374 1 24 MET H 1 24 MET QG 3.300 . 3.630 2.557 2.243 2.744 . 0 0 "[ . 1 . 2]" 1
375 1 24 MET H 1 24 MET HG3 4.020 . 4.420 3.454 2.572 3.983 . 0 0 "[ . 1 . 2]" 1
376 1 24 MET H 1 25 LEU H 4.870 . 5.360 4.586 4.470 4.652 . 0 0 "[ . 1 . 2]" 1
377 1 24 MET H 1 31 VAL MG2 4.900 . 5.390 4.031 3.760 4.470 . 0 0 "[ . 1 . 2]" 1
378 1 24 MET HA 1 24 MET ME 4.680 . 5.150 3.612 2.575 4.607 . 0 0 "[ . 1 . 2]" 1
379 1 24 MET HA 1 25 LEU H 3.050 . 3.360 2.306 2.198 2.449 . 0 0 "[ . 1 . 2]" 1
380 1 24 MET HA 1 31 VAL HA 3.900 . 4.290 2.179 1.836 2.600 . 0 0 "[ . 1 . 2]" 1
381 1 24 MET HA 1 31 VAL HB 4.950 . 5.440 3.411 3.043 3.908 . 0 0 "[ . 1 . 2]" 1
382 1 24 MET HA 1 31 VAL MG2 4.440 . 4.880 2.512 1.968 2.918 . 0 0 "[ . 1 . 2]" 1
383 1 24 MET HA 1 32 ARG H 4.210 . 4.630 3.147 2.621 3.585 . 0 0 "[ . 1 . 2]" 1
384 1 24 MET QB 1 25 LEU H 3.490 . 3.840 2.848 2.464 3.399 . 0 0 "[ . 1 . 2]" 1
385 1 24 MET HB2 1 25 LEU H 4.310 . 4.740 3.953 3.564 4.412 . 0 0 "[ . 1 . 2]" 1
386 1 24 MET HB3 1 25 LEU H 4.310 . 4.740 2.923 2.500 3.534 . 0 0 "[ . 1 . 2]" 1
387 1 24 MET ME 1 31 VAL MG1 4.490 . 4.940 3.629 3.358 4.201 . 0 0 "[ . 1 . 2]" 1
388 1 24 MET ME 1 32 ARG H 5.500 . 6.050 5.486 4.651 6.081 0.031 5 0 "[ . 1 . 2]" 1
389 1 24 MET ME 1 53 VAL H 5.500 . 6.050 5.187 4.356 6.149 0.099 3 0 "[ . 1 . 2]" 1
390 1 24 MET ME 1 53 VAL MG1 3.970 . 4.370 2.273 1.790 2.986 0.010 7 0 "[ . 1 . 2]" 1
391 1 24 MET ME 1 53 VAL MG2 3.790 . 4.170 2.744 1.844 3.815 . 0 0 "[ . 1 . 2]" 1
392 1 24 MET ME 1 57 PHE QD 4.730 . 5.200 3.463 2.078 4.369 . 0 0 "[ . 1 . 2]" 1
393 1 24 MET QG 1 31 VAL MG2 5.300 . 5.830 2.933 1.824 4.026 . 0 0 "[ . 1 . 2]" 1
394 1 25 LEU H 1 25 LEU HB2 3.410 . 3.750 2.530 2.427 2.613 . 0 0 "[ . 1 . 2]" 1
395 1 25 LEU H 1 25 LEU HB3 3.730 . 4.100 3.630 3.598 3.657 . 0 0 "[ . 1 . 2]" 1
396 1 25 LEU H 1 25 LEU MD1 3.680 . 4.050 3.803 3.693 3.888 . 0 0 "[ . 1 . 2]" 1
397 1 25 LEU H 1 25 LEU MD2 3.920 . 4.310 3.198 2.925 3.472 . 0 0 "[ . 1 . 2]" 1
398 1 25 LEU H 1 25 LEU HG 3.320 . 3.650 2.398 2.237 2.656 . 0 0 "[ . 1 . 2]" 1
399 1 25 LEU H 1 26 ASP H 4.800 . 5.280 4.488 3.088 4.644 . 0 0 "[ . 1 . 2]" 1
400 1 25 LEU H 1 31 VAL HA 3.730 . 4.100 2.652 2.381 2.962 . 0 0 "[ . 1 . 2]" 1
401 1 25 LEU H 1 31 VAL MG2 4.550 . 5.010 4.212 3.681 4.557 . 0 0 "[ . 1 . 2]" 1
402 1 25 LEU H 1 32 ARG H 4.730 . 5.200 4.032 3.637 4.441 . 0 0 "[ . 1 . 2]" 1
403 1 25 LEU HA 1 25 LEU MD1 4.080 . 4.490 3.899 3.847 3.953 . 0 0 "[ . 1 . 2]" 1
404 1 25 LEU HA 1 25 LEU MD2 3.470 . 3.820 2.074 1.937 2.183 . 0 0 "[ . 1 . 2]" 1
405 1 25 LEU HA 1 26 ASP H 2.820 . 3.100 2.213 2.137 2.680 . 0 0 "[ . 1 . 2]" 1
406 1 25 LEU HB2 1 26 ASP H 4.170 . 4.590 4.149 3.717 4.407 . 0 0 "[ . 1 . 2]" 1
407 1 25 LEU HB2 1 28 ALA H 4.580 . 5.040 4.054 3.453 4.861 . 0 0 "[ . 1 . 2]" 1
408 1 25 LEU HB2 1 30 GLY H 4.090 . 4.500 3.465 2.792 4.167 . 0 0 "[ . 1 . 2]" 1
409 1 25 LEU HB3 1 26 ASP H 3.480 . 3.830 3.268 2.525 4.321 0.491 16 0 "[ . 1 . 2]" 1
410 1 25 LEU HB3 1 28 ALA H 4.630 . 5.090 4.066 3.362 4.466 . 0 0 "[ . 1 . 2]" 1
411 1 25 LEU MD1 1 28 ALA H 5.020 . 5.520 5.216 4.768 5.511 . 0 0 "[ . 1 . 2]" 1
412 1 25 LEU MD1 1 28 ALA MB 4.420 . 4.860 2.940 2.508 3.479 . 0 0 "[ . 1 . 2]" 1
413 1 25 LEU MD1 1 30 GLY H 4.170 . 4.590 3.835 2.769 4.214 . 0 0 "[ . 1 . 2]" 1
414 1 25 LEU MD1 1 30 GLY HA2 4.470 . 4.920 3.607 3.446 3.814 . 0 0 "[ . 1 . 2]" 1
415 1 25 LEU MD1 1 30 GLY QA 3.700 . 4.070 2.032 1.832 2.329 . 0 0 "[ . 1 . 2]" 1
416 1 25 LEU MD1 1 30 GLY HA3 4.470 . 4.920 2.043 1.839 2.350 . 0 0 "[ . 1 . 2]" 1
417 1 25 LEU MD1 1 31 VAL H 3.710 . 4.080 3.209 2.776 3.661 . 0 0 "[ . 1 . 2]" 1
418 1 25 LEU MD1 1 31 VAL HA 4.560 . 5.020 4.154 3.702 4.759 . 0 0 "[ . 1 . 2]" 1
419 1 25 LEU MD1 1 50 LYS HA 4.280 . 4.710 2.929 2.372 3.708 . 0 0 "[ . 1 . 2]" 1
420 1 25 LEU MD1 1 50 LYS QE 4.400 . 4.840 4.071 2.461 4.949 0.109 6 0 "[ . 1 . 2]" 1
421 1 25 LEU MD1 1 50 LYS HG2 4.400 . 4.840 2.668 1.959 4.310 . 0 0 "[ . 1 . 2]" 1
422 1 25 LEU MD1 1 50 LYS QG 3.520 . 3.870 2.408 1.939 3.610 . 0 0 "[ . 1 . 2]" 1
423 1 25 LEU MD1 1 50 LYS HG3 4.400 . 4.840 3.232 1.951 4.506 . 0 0 "[ . 1 . 2]" 1
424 1 25 LEU MD1 1 51 GLY H 4.430 . 4.870 4.012 3.666 4.579 . 0 0 "[ . 1 . 2]" 1
425 1 25 LEU MD2 1 26 ASP H 3.660 . 4.030 3.699 3.414 4.209 0.179 16 0 "[ . 1 . 2]" 1
426 1 25 LEU MD2 1 28 ALA H 5.500 . 6.050 5.826 5.265 6.097 0.047 19 0 "[ . 1 . 2]" 1
427 1 25 LEU MD2 1 28 ALA MB 4.540 . 4.990 4.034 3.640 5.049 0.059 12 0 "[ . 1 . 2]" 1
428 1 25 LEU HG 1 31 VAL H 4.390 . 4.830 3.213 2.805 3.781 . 0 0 "[ . 1 . 2]" 1
429 1 25 LEU HG 1 31 VAL HA 4.530 . 4.980 2.804 2.338 3.440 . 0 0 "[ . 1 . 2]" 1
430 1 26 ASP H 1 26 ASP HB2 3.740 . 4.110 2.783 2.348 3.802 . 0 0 "[ . 1 . 2]" 1
431 1 26 ASP H 1 26 ASP QB 3.090 . 3.400 2.527 2.217 3.113 . 0 0 "[ . 1 . 2]" 1
432 1 26 ASP H 1 26 ASP HB3 3.740 . 4.110 3.375 2.358 3.844 . 0 0 "[ . 1 . 2]" 1
433 1 26 ASP HA 1 27 GLY H 3.130 . 3.440 2.248 2.133 3.559 0.119 16 0 "[ . 1 . 2]" 1
434 1 26 ASP HA 1 28 ALA H 4.560 . 5.020 3.806 3.250 4.482 . 0 0 "[ . 1 . 2]" 1
435 1 26 ASP QB 1 27 GLY H 4.010 . 4.410 3.338 1.919 3.962 . 0 0 "[ . 1 . 2]" 1
436 1 26 ASP HB2 1 27 GLY H 4.580 . 5.040 4.042 1.952 4.482 . 0 0 "[ . 1 . 2]" 1
437 1 26 ASP HB3 1 27 GLY H 4.580 . 5.040 3.729 2.836 4.506 . 0 0 "[ . 1 . 2]" 1
438 1 27 GLY H 1 28 ALA H 3.590 . 3.950 2.785 2.484 3.597 . 0 0 "[ . 1 . 2]" 1
439 1 28 ALA H 1 28 ALA MB 3.090 . 3.400 2.638 2.230 2.909 . 0 0 "[ . 1 . 2]" 1
440 1 28 ALA HA 1 29 PRO HD2 3.350 . 3.690 2.408 2.027 3.156 . 0 0 "[ . 1 . 2]" 1
441 1 28 ALA HA 1 29 PRO QD 2.920 . 3.210 2.064 1.897 2.193 . 0 0 "[ . 1 . 2]" 1
442 1 28 ALA HA 1 29 PRO HD3 3.350 . 3.690 2.374 1.912 2.667 . 0 0 "[ . 1 . 2]" 1
443 1 28 ALA HA 1 29 PRO QG 4.160 . 4.580 3.981 3.659 4.125 . 0 0 "[ . 1 . 2]" 1
444 1 28 ALA MB 1 29 PRO HD2 3.670 . 4.040 2.785 2.369 3.223 . 0 0 "[ . 1 . 2]" 1
445 1 28 ALA MB 1 29 PRO HD3 3.670 . 4.040 3.688 2.997 4.023 . 0 0 "[ . 1 . 2]" 1
446 1 29 PRO HA 1 30 GLY H 2.800 . 3.080 2.247 2.161 3.237 0.157 15 0 "[ . 1 . 2]" 1
447 1 29 PRO HB2 1 30 GLY H 3.940 . 4.330 3.909 3.181 4.264 . 0 0 "[ . 1 . 2]" 1
448 1 29 PRO HB2 1 51 GLY HA3 5.160 . 5.680 4.549 3.978 5.625 . 0 0 "[ . 1 . 2]" 1
449 1 29 PRO HB2 1 52 ALA H 4.910 . 5.400 4.060 3.352 4.688 . 0 0 "[ . 1 . 2]" 1
450 1 29 PRO HB2 1 52 ALA HA 4.530 . 4.980 3.448 2.294 4.346 . 0 0 "[ . 1 . 2]" 1
451 1 29 PRO HB3 1 30 GLY H 4.290 . 4.720 4.190 3.809 4.644 . 0 0 "[ . 1 . 2]" 1
452 1 29 PRO HB3 1 52 ALA HA 4.500 . 4.950 3.789 2.725 4.958 0.008 13 0 "[ . 1 . 2]" 1
453 1 29 PRO QG 1 30 GLY H 4.740 . 5.210 4.750 4.284 4.895 . 0 0 "[ . 1 . 2]" 1
454 1 29 PRO QG 1 51 GLY H 4.810 . 5.290 4.126 2.932 5.331 0.041 15 0 "[ . 1 . 2]" 1
455 1 29 PRO QG 1 52 ALA H 5.230 . 5.750 5.109 4.384 5.779 0.029 3 0 "[ . 1 . 2]" 1
456 1 30 GLY H 1 31 VAL H 4.590 . 5.050 4.383 4.328 4.441 . 0 0 "[ . 1 . 2]" 1
457 1 30 GLY H 1 51 GLY H 4.860 . 5.350 4.143 3.688 4.626 . 0 0 "[ . 1 . 2]" 1
458 1 30 GLY H 1 53 VAL MG2 3.760 . 4.140 2.947 2.280 4.125 . 0 0 "[ . 1 . 2]" 1
459 1 30 GLY QA 1 31 VAL HB 5.340 . 5.870 4.087 3.995 4.237 . 0 0 "[ . 1 . 2]" 1
460 1 30 GLY QA 1 31 VAL MG1 4.250 . 4.680 3.380 3.248 3.598 . 0 0 "[ . 1 . 2]" 1
461 1 30 GLY QA 1 49 TYR QD 3.990 . 4.390 3.106 2.490 3.835 . 0 0 "[ . 1 . 2]" 1
462 1 30 GLY QA 1 50 LYS HA 3.530 . 3.880 2.328 1.981 3.036 . 0 0 "[ . 1 . 2]" 1
463 1 30 GLY QA 1 53 VAL MG2 4.120 . 4.530 2.383 2.187 2.676 . 0 0 "[ . 1 . 2]" 1
464 1 30 GLY HA2 1 31 VAL H 3.490 . 3.840 2.576 2.389 2.723 . 0 0 "[ . 1 . 2]" 1
465 1 30 GLY HA2 1 31 VAL MG1 4.980 . 5.480 3.520 3.357 3.761 . 0 0 "[ . 1 . 2]" 1
466 1 30 GLY HA2 1 50 LYS HA 4.120 . 4.530 3.161 2.370 3.935 . 0 0 "[ . 1 . 2]" 1
467 1 30 GLY HA2 1 51 GLY H 3.730 . 4.100 2.712 2.363 3.273 . 0 0 "[ . 1 . 2]" 1
468 1 30 GLY HA3 1 31 VAL H 3.490 . 3.840 2.497 2.345 2.738 . 0 0 "[ . 1 . 2]" 1
469 1 30 GLY HA3 1 31 VAL MG1 4.980 . 5.480 4.370 4.151 4.585 . 0 0 "[ . 1 . 2]" 1
470 1 30 GLY HA3 1 50 LYS HA 4.120 . 4.530 2.425 2.023 3.158 . 0 0 "[ . 1 . 2]" 1
471 1 30 GLY HA3 1 51 GLY H 3.730 . 4.100 2.878 2.547 3.431 . 0 0 "[ . 1 . 2]" 1
472 1 31 VAL H 1 31 VAL MG1 3.840 . 4.220 2.552 2.436 2.645 . 0 0 "[ . 1 . 2]" 1
473 1 31 VAL H 1 31 VAL MG2 4.210 . 4.630 4.047 4.019 4.087 . 0 0 "[ . 1 . 2]" 1
474 1 31 VAL H 1 32 ARG H 4.410 . 4.850 4.149 4.027 4.333 . 0 0 "[ . 1 . 2]" 1
475 1 31 VAL H 1 49 TYR QB 4.070 . 4.480 2.948 2.223 3.735 . 0 0 "[ . 1 . 2]" 1
476 1 31 VAL H 1 49 TYR QD 3.730 . 4.100 3.147 2.818 3.845 . 0 0 "[ . 1 . 2]" 1
477 1 31 VAL H 1 50 LYS HA 4.290 . 4.720 3.759 3.205 4.178 . 0 0 "[ . 1 . 2]" 1
478 1 31 VAL H 1 51 GLY H 4.650 . 5.120 4.615 4.347 5.106 . 0 0 "[ . 1 . 2]" 1
479 1 31 VAL H 1 53 VAL MG2 3.940 . 4.330 3.353 3.061 3.652 . 0 0 "[ . 1 . 2]" 1
480 1 31 VAL HA 1 32 ARG H 3.100 . 3.410 2.183 2.135 2.314 . 0 0 "[ . 1 . 2]" 1
481 1 31 VAL HA 1 33 PHE QD 5.130 . 5.640 4.942 4.733 5.221 . 0 0 "[ . 1 . 2]" 1
482 1 31 VAL HB 1 32 ARG H 4.200 . 4.620 4.164 3.952 4.323 . 0 0 "[ . 1 . 2]" 1
483 1 31 VAL HB 1 33 PHE QD 5.070 . 5.580 4.747 4.557 4.995 . 0 0 "[ . 1 . 2]" 1
484 1 31 VAL HB 1 53 VAL MG2 4.220 . 4.640 2.282 1.814 2.814 . 0 0 "[ . 1 . 2]" 1
485 1 31 VAL MG1 1 32 ARG H 3.830 . 4.210 3.961 3.421 4.143 . 0 0 "[ . 1 . 2]" 1
486 1 31 VAL MG1 1 33 PHE H 5.280 . 5.810 4.668 4.332 4.971 . 0 0 "[ . 1 . 2]" 1
487 1 31 VAL MG1 1 33 PHE QD 3.110 . 3.420 2.366 2.073 2.707 . 0 0 "[ . 1 . 2]" 1
488 1 31 VAL MG1 1 33 PHE QE 3.040 . 3.340 2.613 2.269 2.978 . 0 0 "[ . 1 . 2]" 1
489 1 31 VAL MG1 1 49 TYR H 4.080 . 4.490 3.579 3.200 3.993 . 0 0 "[ . 1 . 2]" 1
490 1 31 VAL MG1 1 49 TYR HB2 4.480 . 4.930 3.472 3.114 3.846 . 0 0 "[ . 1 . 2]" 1
491 1 31 VAL MG1 1 49 TYR QB 3.790 . 4.170 2.241 2.047 2.468 . 0 0 "[ . 1 . 2]" 1
492 1 31 VAL MG1 1 49 TYR HB3 4.480 . 4.930 2.270 2.069 2.506 . 0 0 "[ . 1 . 2]" 1
493 1 31 VAL MG1 1 49 TYR QD 3.230 . 3.550 1.903 1.736 2.293 0.064 14 0 "[ . 1 . 2]" 1
494 1 31 VAL MG1 1 49 TYR QE 4.080 . 4.490 3.756 3.443 4.162 . 0 0 "[ . 1 . 2]" 1
495 1 31 VAL MG1 1 57 PHE QE 4.490 . 4.940 3.026 2.778 3.264 . 0 0 "[ . 1 . 2]" 1
496 1 31 VAL MG1 1 57 PHE HZ 4.360 . 4.800 3.172 2.817 3.570 . 0 0 "[ . 1 . 2]" 1
497 1 31 VAL MG2 1 32 ARG H 3.370 . 3.710 2.574 2.015 2.825 . 0 0 "[ . 1 . 2]" 1
498 1 31 VAL MG2 1 33 PHE H 4.570 . 5.030 4.070 3.885 4.259 . 0 0 "[ . 1 . 2]" 1
499 1 31 VAL MG2 1 33 PHE QB 5.320 . 5.850 2.704 2.319 3.219 . 0 0 "[ . 1 . 2]" 1
500 1 31 VAL MG2 1 33 PHE QD 3.080 . 3.390 2.416 1.966 2.753 . 0 0 "[ . 1 . 2]" 1
501 1 31 VAL MG2 1 57 PHE QD 4.230 . 4.650 3.731 3.532 3.949 . 0 0 "[ . 1 . 2]" 1
502 1 31 VAL MG2 1 57 PHE QE 3.920 . 4.310 2.015 1.803 2.231 . 0 0 "[ . 1 . 2]" 1
503 1 31 VAL MG2 1 57 PHE HZ 4.410 . 4.850 2.750 2.403 3.106 . 0 0 "[ . 1 . 2]" 1
504 1 32 ARG H 1 32 ARG HB2 3.890 . 4.280 2.921 2.681 3.194 . 0 0 "[ . 1 . 2]" 1
505 1 32 ARG H 1 32 ARG QB 3.230 . 3.550 2.414 2.279 2.618 . 0 0 "[ . 1 . 2]" 1
506 1 32 ARG H 1 32 ARG HB3 3.890 . 4.280 2.578 2.368 2.781 . 0 0 "[ . 1 . 2]" 1
507 1 32 ARG H 1 32 ARG QG 4.160 . 4.580 4.071 3.971 4.141 . 0 0 "[ . 1 . 2]" 1
508 1 32 ARG H 1 33 PHE H 4.970 . 5.470 4.428 4.248 4.526 . 0 0 "[ . 1 . 2]" 1
509 1 32 ARG HA 1 33 PHE H 3.180 . 3.500 2.217 2.152 2.276 . 0 0 "[ . 1 . 2]" 1
510 1 32 ARG HA 1 33 PHE QD 4.040 . 4.440 3.337 3.134 3.549 . 0 0 "[ . 1 . 2]" 1
511 1 32 ARG HA 1 48 LEU HA 3.990 . 4.390 2.695 2.349 2.930 . 0 0 "[ . 1 . 2]" 1
512 1 32 ARG HA 1 48 LEU MD1 4.490 . 4.940 3.471 2.928 3.833 . 0 0 "[ . 1 . 2]" 1
513 1 32 ARG HA 1 49 TYR H 4.350 . 4.790 3.183 2.912 3.410 . 0 0 "[ . 1 . 2]" 1
514 1 32 ARG QB 1 32 ARG QD 3.260 . 3.590 2.404 2.162 2.691 . 0 0 "[ . 1 . 2]" 1
515 1 32 ARG HB2 1 48 LEU MD1 4.550 . 5.010 2.577 1.988 3.304 . 0 0 "[ . 1 . 2]" 1
516 1 32 ARG HB3 1 48 LEU MD1 4.550 . 5.010 4.025 3.543 4.779 . 0 0 "[ . 1 . 2]" 1
517 1 32 ARG QD 1 46 TRP HE3 4.390 . 4.830 3.291 2.699 4.019 . 0 0 "[ . 1 . 2]" 1
518 1 32 ARG QD 1 48 LEU MD1 4.220 . 4.640 3.445 2.053 4.663 0.023 13 0 "[ . 1 . 2]" 1
519 1 32 ARG HD2 1 33 PHE H 5.500 . 6.050 4.954 2.441 5.529 . 0 0 "[ . 1 . 2]" 1
520 1 32 ARG HD2 1 46 TRP HZ3 5.500 . 6.050 4.792 3.607 6.104 0.054 17 0 "[ . 1 . 2]" 1
521 1 32 ARG HD2 1 48 LEU MD1 4.880 . 5.370 4.146 2.401 5.470 0.100 13 0 "[ . 1 . 2]" 1
522 1 32 ARG HD3 1 33 PHE H 5.500 . 6.050 4.908 2.999 5.585 . 0 0 "[ . 1 . 2]" 1
523 1 32 ARG HD3 1 46 TRP HZ3 5.500 . 6.050 5.057 4.159 6.096 0.046 6 0 "[ . 1 . 2]" 1
524 1 32 ARG HD3 1 48 LEU MD1 4.880 . 5.370 3.932 2.072 5.056 . 0 0 "[ . 1 . 2]" 1
525 1 32 ARG HE 1 48 LEU MD1 4.760 . 5.240 3.284 1.853 5.391 0.151 7 0 "[ . 1 . 2]" 1
526 1 32 ARG QG 1 33 PHE H 3.670 . 4.040 2.649 2.372 2.888 . 0 0 "[ . 1 . 2]" 1
527 1 32 ARG QG 1 46 TRP HE3 3.610 . 3.970 2.353 1.905 2.720 . 0 0 "[ . 1 . 2]" 1
528 1 32 ARG QG 1 46 TRP HZ3 3.920 . 4.310 3.439 2.742 3.875 . 0 0 "[ . 1 . 2]" 1
529 1 32 ARG QG 1 47 VAL H 4.800 . 5.280 3.616 2.901 4.829 . 0 0 "[ . 1 . 2]" 1
530 1 32 ARG QG 1 49 TYR H 5.240 . 5.760 4.853 4.193 5.781 0.021 2 0 "[ . 1 . 2]" 1
531 1 33 PHE H 1 33 PHE QD 3.630 . 3.990 2.958 2.811 3.220 . 0 0 "[ . 1 . 2]" 1
532 1 33 PHE H 1 33 PHE QE 4.770 . 5.250 4.469 4.359 4.592 . 0 0 "[ . 1 . 2]" 1
533 1 33 PHE H 1 46 TRP HE3 4.320 . 4.750 3.549 3.144 4.156 . 0 0 "[ . 1 . 2]" 1
534 1 33 PHE H 1 47 VAL H 3.990 . 4.390 2.776 2.460 3.346 . 0 0 "[ . 1 . 2]" 1
535 1 33 PHE H 1 47 VAL HB 4.130 . 4.540 3.407 2.810 3.732 . 0 0 "[ . 1 . 2]" 1
536 1 33 PHE H 1 47 VAL MG1 5.500 . 6.050 4.433 4.084 4.615 . 0 0 "[ . 1 . 2]" 1
537 1 33 PHE H 1 48 LEU HA 4.340 . 4.770 4.238 3.889 4.486 . 0 0 "[ . 1 . 2]" 1
538 1 33 PHE H 1 48 LEU MD1 4.860 . 5.350 5.163 4.704 5.522 0.172 13 0 "[ . 1 . 2]" 1
539 1 33 PHE HA 1 33 PHE QD 3.890 . 4.280 3.804 3.791 3.815 . 0 0 "[ . 1 . 2]" 1
540 1 33 PHE HA 1 46 TRP HZ3 3.940 . 4.330 3.273 2.655 4.021 . 0 0 "[ . 1 . 2]" 1
541 1 33 PHE QB 1 34 ARG H 3.520 . 3.870 2.438 2.283 2.622 . 0 0 "[ . 1 . 2]" 1
542 1 33 PHE QB 1 46 TRP HZ3 5.340 . 5.870 4.987 4.465 5.652 . 0 0 "[ . 1 . 2]" 1
543 1 33 PHE QB 1 57 PHE HZ 4.490 . 4.940 2.630 2.156 3.234 . 0 0 "[ . 1 . 2]" 1
544 1 33 PHE HB2 1 34 ARG H 4.090 . 4.500 2.469 2.304 2.664 . 0 0 "[ . 1 . 2]" 1
545 1 33 PHE HB3 1 34 ARG H 4.090 . 4.500 3.802 3.715 3.943 . 0 0 "[ . 1 . 2]" 1
546 1 33 PHE QD 1 34 ARG H 3.970 . 4.370 3.470 3.270 3.773 . 0 0 "[ . 1 . 2]" 1
547 1 33 PHE QD 1 34 ARG HA 4.600 . 5.060 4.320 3.797 4.735 . 0 0 "[ . 1 . 2]" 1
548 1 33 PHE QD 1 35 LEU HA 4.100 . 4.510 3.177 3.001 3.439 . 0 0 "[ . 1 . 2]" 1
549 1 33 PHE QD 1 35 LEU MD1 3.890 . 4.280 3.499 3.080 4.003 . 0 0 "[ . 1 . 2]" 1
550 1 33 PHE QD 1 57 PHE QE 4.280 . 4.710 3.543 3.257 3.819 . 0 0 "[ . 1 . 2]" 1
551 1 33 PHE QD 1 57 PHE HZ 3.830 . 4.210 2.916 2.676 3.135 . 0 0 "[ . 1 . 2]" 1
552 1 33 PHE QE 1 35 LEU HA 4.250 . 4.680 3.412 2.877 3.835 . 0 0 "[ . 1 . 2]" 1
553 1 33 PHE QE 1 35 LEU HB2 3.810 . 4.190 2.782 2.316 3.335 . 0 0 "[ . 1 . 2]" 1
554 1 33 PHE QE 1 35 LEU MD1 3.180 . 3.500 1.997 1.772 2.550 0.028 10 0 "[ . 1 . 2]" 1
555 1 33 PHE QE 1 47 VAL HB 4.930 . 5.420 3.168 3.002 3.379 . 0 0 "[ . 1 . 2]" 1
556 1 33 PHE QE 1 47 VAL MG2 4.160 . 4.580 3.140 2.786 3.497 . 0 0 "[ . 1 . 2]" 1
557 1 33 PHE QE 1 48 LEU HA 5.500 . 6.050 5.496 4.665 6.090 0.040 17 0 "[ . 1 . 2]" 1
558 1 33 PHE QE 1 49 TYR H 4.340 . 4.770 3.995 3.438 4.619 . 0 0 "[ . 1 . 2]" 1
559 1 33 PHE QE 1 49 TYR HA 5.500 . 6.050 5.164 4.422 5.957 . 0 0 "[ . 1 . 2]" 1
560 1 33 PHE QE 1 49 TYR QB 3.950 . 4.350 2.670 2.090 3.319 . 0 0 "[ . 1 . 2]" 1
561 1 33 PHE QE 1 57 PHE QE 4.080 . 4.490 3.293 3.080 3.633 . 0 0 "[ . 1 . 2]" 1
562 1 33 PHE QE 1 57 PHE HZ 4.360 . 4.800 3.877 3.507 4.315 . 0 0 "[ . 1 . 2]" 1
563 1 33 PHE QE 1 63 VAL MG1 5.500 . 6.050 4.121 3.831 4.534 . 0 0 "[ . 1 . 2]" 1
564 1 33 PHE QE 1 63 VAL MG2 3.960 . 4.360 2.536 2.187 3.024 . 0 0 "[ . 1 . 2]" 1
565 1 33 PHE QE 1 65 ILE MG 4.150 . 4.570 3.241 2.935 3.509 . 0 0 "[ . 1 . 2]" 1
566 1 33 PHE QE 1 81 LEU MD1 3.070 . 3.380 2.871 2.298 3.381 0.001 2 0 "[ . 1 . 2]" 1
567 1 33 PHE QE 1 81 LEU MD2 4.790 . 5.270 3.426 2.406 4.701 . 0 0 "[ . 1 . 2]" 1
568 1 33 PHE HZ 1 47 VAL HB 5.480 . 6.030 3.419 3.171 3.938 . 0 0 "[ . 1 . 2]" 1
569 1 33 PHE HZ 1 47 VAL MG1 3.470 . 3.820 2.656 2.548 2.739 . 0 0 "[ . 1 . 2]" 1
570 1 33 PHE HZ 1 57 PHE QE 4.670 . 5.140 3.509 3.089 4.086 . 0 0 "[ . 1 . 2]" 1
571 1 33 PHE HZ 1 63 VAL MG1 5.500 . 6.050 4.105 3.617 4.721 . 0 0 "[ . 1 . 2]" 1
572 1 33 PHE HZ 1 63 VAL MG2 3.690 . 4.060 2.689 2.255 3.409 . 0 0 "[ . 1 . 2]" 1
573 1 33 PHE HZ 1 65 ILE MG 3.490 . 3.840 2.297 1.813 2.757 . 0 0 "[ . 1 . 2]" 1
574 1 33 PHE HZ 1 81 LEU MD1 3.210 . 3.530 2.467 2.019 3.015 . 0 0 "[ . 1 . 2]" 1
575 1 33 PHE HZ 1 81 LEU MD2 5.210 . 5.730 4.127 3.329 4.864 . 0 0 "[ . 1 . 2]" 1
576 1 34 ARG H 1 34 ARG HB2 4.190 . 4.610 3.140 2.366 3.848 . 0 0 "[ . 1 . 2]" 1
577 1 34 ARG H 1 34 ARG HB3 4.190 . 4.610 2.996 2.455 3.708 . 0 0 "[ . 1 . 2]" 1
578 1 34 ARG H 1 34 ARG QG 4.490 . 4.940 2.999 1.982 4.073 . 0 0 "[ . 1 . 2]" 1
579 1 34 ARG H 1 46 TRP HA 5.270 . 5.800 4.678 4.314 5.005 . 0 0 "[ . 1 . 2]" 1
580 1 34 ARG HA 1 35 LEU H 3.250 . 3.580 2.152 2.050 2.212 . 0 0 "[ . 1 . 2]" 1
581 1 34 ARG HA 1 46 TRP HA 3.970 . 4.370 2.266 1.768 2.789 0.032 19 0 "[ . 1 . 2]" 1
582 1 34 ARG HA 1 47 VAL H 4.130 . 4.540 3.505 2.956 3.914 . 0 0 "[ . 1 . 2]" 1
583 1 34 ARG QB 1 34 ARG HE 4.160 . 4.580 2.866 1.929 4.051 . 0 0 "[ . 1 . 2]" 1
584 1 34 ARG QB 1 35 LEU H 3.770 . 4.150 3.584 2.990 4.015 . 0 0 "[ . 1 . 2]" 1
585 1 34 ARG QB 1 46 TRP HE3 4.330 . 4.760 3.929 3.426 5.048 0.288 20 0 "[ . 1 . 2]" 1
586 1 34 ARG QB 1 46 TRP HH2 4.670 . 5.140 3.975 3.084 5.329 0.189 13 0 "[ . 1 . 2]" 1
587 1 34 ARG QB 1 46 TRP HZ3 4.550 . 5.010 3.809 2.921 4.945 . 0 0 "[ . 1 . 2]" 1
588 1 34 ARG HB2 1 34 ARG HE 4.770 . 5.250 3.449 2.116 4.673 . 0 0 "[ . 1 . 2]" 1
589 1 34 ARG HB3 1 34 ARG HE 4.770 . 5.250 3.320 1.949 4.651 . 0 0 "[ . 1 . 2]" 1
590 1 34 ARG QD 1 44 THR MG 4.050 . 4.460 3.380 2.085 4.310 . 0 0 "[ . 1 . 2]" 1
591 1 34 ARG QD 1 46 TRP HE1 4.700 . 5.170 4.372 3.737 5.216 0.046 5 0 "[ . 1 . 2]" 1
592 1 34 ARG QD 1 46 TRP HH2 4.270 . 4.700 3.549 2.879 4.358 . 0 0 "[ . 1 . 2]" 1
593 1 34 ARG HD2 1 44 THR MG 4.610 . 5.070 3.785 2.510 5.175 0.105 13 0 "[ . 1 . 2]" 1
594 1 34 ARG HD2 1 46 TRP HH2 5.090 . 5.600 4.562 2.970 5.624 0.024 4 0 "[ . 1 . 2]" 1
595 1 34 ARG HD2 1 46 TRP HZ2 4.340 . 4.770 3.947 2.697 4.843 0.073 12 0 "[ . 1 . 2]" 1
596 1 34 ARG HD3 1 44 THR MG 4.610 . 5.070 4.306 2.097 5.134 0.064 7 0 "[ . 1 . 2]" 1
597 1 34 ARG HD3 1 46 TRP HH2 5.090 . 5.600 4.084 3.328 5.605 0.005 5 0 "[ . 1 . 2]" 1
598 1 34 ARG HD3 1 46 TRP HZ2 4.340 . 4.770 3.907 2.946 4.971 0.201 5 0 "[ . 1 . 2]" 1
599 1 34 ARG HE 1 44 THR MG 4.710 . 5.180 3.153 2.059 4.646 . 0 0 "[ . 1 . 2]" 1
600 1 34 ARG QG 1 35 LEU H 4.790 . 5.270 3.959 3.242 4.520 . 0 0 "[ . 1 . 2]" 1
601 1 34 ARG QG 1 44 THR HB 4.810 . 5.290 3.012 1.801 4.305 . 0 0 "[ . 1 . 2]" 1
602 1 34 ARG QG 1 46 TRP HH2 4.800 . 5.280 4.170 3.097 4.849 . 0 0 "[ . 1 . 2]" 1
603 1 34 ARG QG 1 46 TRP HZ3 4.440 . 4.880 4.244 2.736 4.966 0.086 10 0 "[ . 1 . 2]" 1
604 1 34 ARG HG2 1 35 LEU H 5.500 . 6.050 4.538 3.453 5.537 . 0 0 "[ . 1 . 2]" 1
605 1 34 ARG HG3 1 35 LEU H 5.500 . 6.050 4.483 3.623 5.341 . 0 0 "[ . 1 . 2]" 1
606 1 35 LEU H 1 35 LEU HB2 3.760 . 4.140 2.604 2.472 2.810 . 0 0 "[ . 1 . 2]" 1
607 1 35 LEU H 1 35 LEU HB3 3.700 . 4.070 2.593 2.490 2.661 . 0 0 "[ . 1 . 2]" 1
608 1 35 LEU H 1 35 LEU MD1 4.680 . 5.150 4.155 4.058 4.282 . 0 0 "[ . 1 . 2]" 1
609 1 35 LEU H 1 35 LEU HG 5.500 . 6.050 4.534 4.487 4.577 . 0 0 "[ . 1 . 2]" 1
610 1 35 LEU H 1 36 GLU H 4.940 . 5.430 4.360 4.253 4.549 . 0 0 "[ . 1 . 2]" 1
611 1 35 LEU H 1 45 VAL H 4.040 . 4.440 3.616 2.838 4.058 . 0 0 "[ . 1 . 2]" 1
612 1 35 LEU H 1 45 VAL HB 4.770 . 5.250 4.175 3.802 4.696 . 0 0 "[ . 1 . 2]" 1
613 1 35 LEU H 1 45 VAL MG1 5.320 . 5.850 4.644 4.098 4.870 . 0 0 "[ . 1 . 2]" 1
614 1 35 LEU H 1 46 TRP HA 4.470 . 4.920 3.285 2.888 3.687 . 0 0 "[ . 1 . 2]" 1
615 1 35 LEU H 1 47 VAL H 4.780 . 5.260 3.907 3.082 4.749 . 0 0 "[ . 1 . 2]" 1
616 1 35 LEU H 1 47 VAL MG2 3.830 . 4.210 2.769 2.228 3.417 . 0 0 "[ . 1 . 2]" 1
617 1 35 LEU HA 1 35 LEU MD1 3.790 . 4.170 2.093 1.994 2.366 . 0 0 "[ . 1 . 2]" 1
618 1 35 LEU HA 1 35 LEU MD2 4.330 . 4.760 3.939 3.895 3.977 . 0 0 "[ . 1 . 2]" 1
619 1 35 LEU HA 1 36 GLU H 3.190 . 3.510 2.142 2.089 2.223 . 0 0 "[ . 1 . 2]" 1
620 1 35 LEU HB2 1 36 GLU H 4.590 . 5.050 4.407 4.169 4.526 . 0 0 "[ . 1 . 2]" 1
621 1 35 LEU HB2 1 45 VAL MG1 4.880 . 5.370 5.063 4.342 5.449 0.079 19 0 "[ . 1 . 2]" 1
622 1 35 LEU HB2 1 47 VAL H 5.500 . 6.050 4.772 3.738 5.614 . 0 0 "[ . 1 . 2]" 1
623 1 35 LEU HB2 1 47 VAL MG2 3.860 . 4.250 2.063 1.932 2.306 . 0 0 "[ . 1 . 2]" 1
624 1 35 LEU HB3 1 36 GLU H 4.600 . 5.060 4.250 4.039 4.363 . 0 0 "[ . 1 . 2]" 1
625 1 35 LEU HB3 1 45 VAL H 4.610 . 5.070 3.434 2.704 3.960 . 0 0 "[ . 1 . 2]" 1
626 1 35 LEU HB3 1 45 VAL MG1 4.470 . 4.920 4.259 3.618 4.743 . 0 0 "[ . 1 . 2]" 1
627 1 35 LEU HB3 1 47 VAL MG2 4.430 . 4.870 2.691 2.371 2.971 . 0 0 "[ . 1 . 2]" 1
628 1 35 LEU MD1 1 36 GLU H 3.860 . 4.250 2.950 2.463 3.623 . 0 0 "[ . 1 . 2]" 1
629 1 35 LEU MD2 1 36 GLU H 4.590 . 5.050 4.742 4.303 5.014 . 0 0 "[ . 1 . 2]" 1
630 1 35 LEU MD2 1 45 VAL HB 4.920 . 5.410 3.789 2.783 4.596 . 0 0 "[ . 1 . 2]" 1
631 1 35 LEU MD2 1 45 VAL MG2 5.480 . 6.030 4.342 3.105 5.336 . 0 0 "[ . 1 . 2]" 1
632 1 35 LEU HG 1 36 GLU H 3.990 . 4.390 3.293 2.730 3.674 . 0 0 "[ . 1 . 2]" 1
633 1 36 GLU H 1 36 GLU HB2 3.990 . 4.390 2.563 2.484 2.725 . 0 0 "[ . 1 . 2]" 1
634 1 36 GLU H 1 36 GLU QB 3.430 . 3.770 2.513 2.442 2.668 . 0 0 "[ . 1 . 2]" 1
635 1 36 GLU H 1 36 GLU HB3 3.990 . 4.390 3.632 3.580 3.811 . 0 0 "[ . 1 . 2]" 1
636 1 36 GLU H 1 36 GLU HG2 3.960 . 4.360 3.294 1.955 3.901 . 0 0 "[ . 1 . 2]" 1
637 1 36 GLU H 1 36 GLU HG3 3.710 . 4.080 2.432 2.061 3.523 . 0 0 "[ . 1 . 2]" 1
638 1 36 GLU H 1 37 ASP H 4.850 . 5.330 4.245 3.944 4.501 . 0 0 "[ . 1 . 2]" 1
639 1 36 GLU HA 1 36 GLU HG2 4.010 . 4.410 2.699 2.485 3.252 . 0 0 "[ . 1 . 2]" 1
640 1 36 GLU HA 1 36 GLU HG3 4.060 . 4.470 3.297 3.051 3.944 . 0 0 "[ . 1 . 2]" 1
641 1 36 GLU HA 1 37 ASP H 3.100 . 3.410 2.185 2.127 2.269 . 0 0 "[ . 1 . 2]" 1
642 1 36 GLU HA 1 44 THR MG 4.070 . 4.480 2.236 1.774 3.408 0.026 17 0 "[ . 1 . 2]" 1
643 1 36 GLU QB 1 37 ASP H 3.780 . 4.160 3.591 3.297 3.826 . 0 0 "[ . 1 . 2]" 1
644 1 36 GLU HB2 1 37 ASP H 4.520 . 4.970 4.389 4.268 4.467 . 0 0 "[ . 1 . 2]" 1
645 1 36 GLU HB3 1 37 ASP H 4.520 . 4.970 3.817 3.431 4.160 . 0 0 "[ . 1 . 2]" 1
646 1 36 GLU HG2 1 37 ASP H 4.560 . 5.020 4.800 4.505 5.212 0.192 3 0 "[ . 1 . 2]" 1
647 1 36 GLU HG2 1 44 THR MG 4.110 . 4.520 2.310 1.731 4.348 0.069 9 0 "[ . 1 . 2]" 1
648 1 36 GLU HG3 1 44 THR MG 4.360 . 4.800 3.435 2.855 4.808 0.008 3 0 "[ . 1 . 2]" 1
649 1 37 ASP H 1 37 ASP HB2 3.710 . 4.080 2.572 2.311 2.927 . 0 0 "[ . 1 . 2]" 1
650 1 37 ASP H 1 37 ASP QB 3.200 . 3.520 2.303 2.161 2.613 . 0 0 "[ . 1 . 2]" 1
651 1 37 ASP H 1 37 ASP HB3 3.710 . 4.080 2.805 2.293 3.621 . 0 0 "[ . 1 . 2]" 1
652 1 37 ASP H 1 44 THR HA 4.460 . 4.910 3.200 2.400 4.378 . 0 0 "[ . 1 . 2]" 1
653 1 37 ASP H 1 44 THR MG 4.520 . 4.970 3.610 2.652 4.982 0.012 8 0 "[ . 1 . 2]" 1
654 1 37 ASP HA 1 38 LYS H 3.070 . 3.380 2.241 2.159 2.392 . 0 0 "[ . 1 . 2]" 1
655 1 37 ASP HA 1 39 ASP H 4.680 . 5.150 4.200 3.245 5.242 0.092 17 0 "[ . 1 . 2]" 1
656 1 37 ASP QB 1 40 ASN H 4.120 . 4.530 3.122 2.203 4.679 0.149 20 0 "[ . 1 . 2]" 1
657 1 38 LYS H 1 38 LYS HB2 3.980 . 4.380 2.855 2.221 3.696 . 0 0 "[ . 1 . 2]" 1
658 1 38 LYS H 1 38 LYS QB 3.280 . 3.610 2.488 2.199 2.868 . 0 0 "[ . 1 . 2]" 1
659 1 38 LYS H 1 38 LYS HB3 3.980 . 4.380 3.150 2.490 3.743 . 0 0 "[ . 1 . 2]" 1
660 1 38 LYS H 1 38 LYS QG 4.180 . 4.600 2.925 1.783 4.123 0.017 6 0 "[ . 1 . 2]" 1
661 1 38 LYS H 1 39 ASP H 3.810 . 4.190 2.712 2.123 4.231 0.041 17 0 "[ . 1 . 2]" 1
662 1 38 LYS H 1 40 ASN H 4.800 . 5.280 4.195 3.757 4.508 . 0 0 "[ . 1 . 2]" 1
663 1 38 LYS HA 1 38 LYS QD 4.460 . 4.910 3.568 2.146 4.627 . 0 0 "[ . 1 . 2]" 1
664 1 38 LYS HA 1 38 LYS QG 3.830 . 4.210 2.891 2.367 3.549 . 0 0 "[ . 1 . 2]" 1
665 1 38 LYS HA 1 40 ASN H 4.640 . 5.100 4.546 3.912 5.156 0.056 8 0 "[ . 1 . 2]" 1
666 1 38 LYS HB2 1 39 ASP H 5.500 . 6.050 3.685 2.198 4.674 . 0 0 "[ . 1 . 2]" 1
667 1 38 LYS HB2 1 40 ASN H 5.500 . 6.050 5.569 3.799 6.165 0.115 3 0 "[ . 1 . 2]" 1
668 1 38 LYS HB3 1 39 ASP H 5.500 . 6.050 3.802 2.573 4.525 . 0 0 "[ . 1 . 2]" 1
669 1 38 LYS HB3 1 40 ASN H 5.500 . 6.050 5.589 4.714 6.121 0.071 10 0 "[ . 1 . 2]" 1
670 1 39 ASP H 1 40 ASN H 3.470 . 3.820 2.458 1.791 2.787 0.009 6 0 "[ . 1 . 2]" 1
671 1 39 ASP HB2 1 40 ASN H 4.760 . 5.240 3.505 2.385 4.255 . 0 0 "[ . 1 . 2]" 1
672 1 39 ASP HB3 1 40 ASN H 4.760 . 5.240 3.328 2.252 4.528 . 0 0 "[ . 1 . 2]" 1
673 1 40 ASN H 1 40 ASN HB2 3.890 . 4.280 3.123 2.427 4.029 . 0 0 "[ . 1 . 2]" 1
674 1 40 ASN H 1 40 ASN QB 3.250 . 3.580 2.658 2.377 3.316 . 0 0 "[ . 1 . 2]" 1
675 1 40 ASN H 1 40 ASN HB3 3.890 . 4.280 3.125 2.542 3.863 . 0 0 "[ . 1 . 2]" 1
676 1 40 ASN H 1 41 THR H 4.180 . 4.600 3.718 1.902 4.617 0.017 4 0 "[ . 1 . 2]" 1
677 1 40 ASN H 1 41 THR MG 5.500 . 6.050 5.411 4.288 5.984 . 0 0 "[ . 1 . 2]" 1
678 1 40 ASN HA 1 41 THR H 3.370 . 3.710 2.391 2.131 3.580 . 0 0 "[ . 1 . 2]" 1
679 1 40 ASN HA 1 41 THR HB 5.210 . 5.730 4.824 4.449 5.747 0.017 1 0 "[ . 1 . 2]" 1
680 1 40 ASN HA 1 42 SER H 4.000 . 4.400 3.542 2.960 4.853 0.453 4 0 "[ . 1 . 2]" 1
681 1 41 THR H 1 41 THR MG 3.620 . 3.980 2.404 1.930 4.114 0.134 3 0 "[ . 1 . 2]" 1
682 1 41 THR H 1 42 SER H 3.470 . 3.820 2.671 1.907 3.898 0.078 4 0 "[ . 1 . 2]" 1
683 1 41 THR HA 1 41 THR MG 3.470 . 3.820 3.098 2.368 3.284 . 0 0 "[ . 1 . 2]" 1
684 1 41 THR HA 1 43 LYS H 4.430 . 4.870 3.710 2.930 5.035 0.165 4 0 "[ . 1 . 2]" 1
685 1 41 THR HB 1 42 SER H 4.550 . 5.010 4.180 3.171 4.526 . 0 0 "[ . 1 . 2]" 1
686 1 41 THR MG 1 42 SER H 4.270 . 4.700 3.089 2.478 4.365 . 0 0 "[ . 1 . 2]" 1
687 1 42 SER H 1 42 SER HB2 3.840 . 4.220 2.821 2.473 3.675 . 0 0 "[ . 1 . 2]" 1
688 1 42 SER H 1 42 SER QB 3.230 . 3.550 2.526 2.262 3.014 . 0 0 "[ . 1 . 2]" 1
689 1 42 SER H 1 42 SER HB3 3.840 . 4.220 3.202 2.489 3.926 . 0 0 "[ . 1 . 2]" 1
690 1 42 SER H 1 43 LYS H 3.210 . 3.530 2.532 1.723 2.978 0.077 15 0 "[ . 1 . 2]" 1
691 1 42 SER H 1 43 LYS QB 4.700 . 5.170 4.452 3.520 5.173 0.003 2 0 "[ . 1 . 2]" 1
692 1 42 SER HA 1 43 LYS H 3.550 . 3.900 3.335 2.342 3.585 . 0 0 "[ . 1 . 2]" 1
693 1 42 SER HB2 1 43 LYS H 5.240 . 5.760 3.757 2.858 4.639 . 0 0 "[ . 1 . 2]" 1
694 1 42 SER HB3 1 43 LYS H 5.240 . 5.760 3.959 2.655 4.521 . 0 0 "[ . 1 . 2]" 1
695 1 43 LYS H 1 43 LYS HB2 3.720 . 4.090 3.009 2.472 4.015 . 0 0 "[ . 1 . 2]" 1
696 1 43 LYS H 1 43 LYS QB 3.130 . 3.440 2.650 2.310 3.268 . 0 0 "[ . 1 . 2]" 1
697 1 43 LYS H 1 43 LYS HB3 3.720 . 4.090 3.232 2.477 3.926 . 0 0 "[ . 1 . 2]" 1
698 1 43 LYS H 1 43 LYS QG 4.220 . 4.640 3.479 2.271 4.477 . 0 0 "[ . 1 . 2]" 1
699 1 43 LYS H 1 44 THR MG 4.910 . 5.400 4.121 3.070 4.574 . 0 0 "[ . 1 . 2]" 1
700 1 43 LYS HA 1 43 LYS QD 4.260 . 4.690 3.796 1.928 4.343 . 0 0 "[ . 1 . 2]" 1
701 1 43 LYS HA 1 44 THR H 2.830 . 3.110 2.271 2.123 2.672 . 0 0 "[ . 1 . 2]" 1
702 1 43 LYS QB 1 44 THR H 3.660 . 4.030 3.738 2.553 4.077 0.047 19 0 "[ . 1 . 2]" 1
703 1 43 LYS HB2 1 43 LYS QD 3.400 . 3.740 2.754 2.362 3.547 . 0 0 "[ . 1 . 2]" 1
704 1 43 LYS HB2 1 44 THR H 4.380 . 4.820 4.359 3.650 4.665 . 0 0 "[ . 1 . 2]" 1
705 1 43 LYS HB3 1 43 LYS QD 3.400 . 3.740 2.624 2.361 3.564 . 0 0 "[ . 1 . 2]" 1
706 1 43 LYS HB3 1 44 THR H 4.380 . 4.820 4.120 2.596 4.684 . 0 0 "[ . 1 . 2]" 1
707 1 43 LYS QG 1 44 THR H 4.390 . 4.830 3.832 2.171 4.876 0.046 14 0 "[ . 1 . 2]" 1
708 1 44 THR H 1 44 THR HB 3.950 . 4.350 3.715 3.616 3.868 . 0 0 "[ . 1 . 2]" 1
709 1 44 THR H 1 44 THR MG 3.640 . 4.000 2.802 2.401 3.202 . 0 0 "[ . 1 . 2]" 1
710 1 44 THR HA 1 45 VAL H 3.160 . 3.480 2.182 2.125 2.327 . 0 0 "[ . 1 . 2]" 1
711 1 44 THR HB 1 45 VAL H 3.680 . 4.050 3.359 2.674 3.923 . 0 0 "[ . 1 . 2]" 1
712 1 44 THR MG 1 45 VAL H 4.410 . 4.850 3.986 3.769 4.172 . 0 0 "[ . 1 . 2]" 1
713 1 45 VAL H 1 45 VAL HB 3.740 . 4.110 2.583 2.477 2.653 . 0 0 "[ . 1 . 2]" 1
714 1 45 VAL H 1 45 VAL MG1 4.010 . 4.410 3.877 3.830 3.915 . 0 0 "[ . 1 . 2]" 1
715 1 45 VAL H 1 45 VAL MG2 3.480 . 3.830 2.477 2.338 2.746 . 0 0 "[ . 1 . 2]" 1
716 1 45 VAL H 1 46 TRP H 4.590 . 5.050 4.507 4.363 4.585 . 0 0 "[ . 1 . 2]" 1
717 1 45 VAL HA 1 46 TRP H 2.980 . 3.280 2.256 2.203 2.348 . 0 0 "[ . 1 . 2]" 1
718 1 45 VAL HA 1 46 TRP HD1 4.450 . 4.890 4.014 3.467 4.501 . 0 0 "[ . 1 . 2]" 1
719 1 45 VAL HB 1 46 TRP H 4.130 . 4.540 4.098 3.910 4.330 . 0 0 "[ . 1 . 2]" 1
720 1 45 VAL HB 1 47 VAL MG2 5.170 . 5.690 3.520 2.882 4.570 . 0 0 "[ . 1 . 2]" 1
721 1 45 VAL MG1 1 46 TRP H 3.890 . 4.280 2.602 2.339 2.975 . 0 0 "[ . 1 . 2]" 1
722 1 45 VAL MG1 1 47 VAL MG2 3.420 . 3.760 3.076 2.358 3.716 . 0 0 "[ . 1 . 2]" 1
723 1 45 VAL MG1 1 76 PHE H 4.350 . 4.790 2.712 2.288 3.154 . 0 0 "[ . 1 . 2]" 1
724 1 45 VAL MG1 1 76 PHE HB2 4.350 . 4.790 2.489 2.106 3.160 . 0 0 "[ . 1 . 2]" 1
725 1 45 VAL MG1 1 76 PHE HB3 4.480 . 4.930 3.115 2.733 3.642 . 0 0 "[ . 1 . 2]" 1
726 1 45 VAL MG2 1 46 TRP H 4.170 . 4.590 4.132 3.866 4.262 . 0 0 "[ . 1 . 2]" 1
727 1 45 VAL MG2 1 47 VAL MG2 5.500 . 6.050 4.615 4.031 5.477 . 0 0 "[ . 1 . 2]" 1
728 1 46 TRP H 1 46 TRP HB2 3.810 . 4.190 2.410 2.362 2.473 . 0 0 "[ . 1 . 2]" 1
729 1 46 TRP H 1 46 TRP HB3 3.720 . 4.090 3.619 3.596 3.644 . 0 0 "[ . 1 . 2]" 1
730 1 46 TRP H 1 46 TRP HD1 3.690 . 4.060 2.785 2.455 3.033 . 0 0 "[ . 1 . 2]" 1
731 1 46 TRP H 1 75 THR HA 4.420 . 4.860 3.408 2.922 3.846 . 0 0 "[ . 1 . 2]" 1
732 1 46 TRP H 1 75 THR MG 5.500 . 6.050 5.613 4.181 6.120 0.070 14 0 "[ . 1 . 2]" 1
733 1 46 TRP HA 1 46 TRP HD1 4.590 . 5.050 4.176 3.910 4.366 . 0 0 "[ . 1 . 2]" 1
734 1 46 TRP HA 1 46 TRP HE3 3.390 . 3.730 3.082 2.757 3.508 . 0 0 "[ . 1 . 2]" 1
735 1 46 TRP HA 1 46 TRP HZ3 5.020 . 5.520 5.154 4.842 5.533 0.013 19 0 "[ . 1 . 2]" 1
736 1 46 TRP HA 1 47 VAL H 3.190 . 3.510 2.252 2.154 2.402 . 0 0 "[ . 1 . 2]" 1
737 1 46 TRP HA 1 47 VAL MG2 4.480 . 4.930 3.450 3.114 3.782 . 0 0 "[ . 1 . 2]" 1
738 1 46 TRP HA 1 75 THR HB 5.160 . 5.680 5.505 5.156 5.859 0.179 18 0 "[ . 1 . 2]" 1
739 1 46 TRP HB2 1 46 TRP HD1 3.810 . 4.190 2.693 2.626 2.777 . 0 0 "[ . 1 . 2]" 1
740 1 46 TRP HB2 1 47 VAL H 4.140 . 4.550 4.132 3.720 4.541 . 0 0 "[ . 1 . 2]" 1
741 1 46 TRP HB2 1 75 THR HA 4.710 . 5.180 2.675 2.105 3.110 . 0 0 "[ . 1 . 2]" 1
742 1 46 TRP HB2 1 75 THR MG 4.260 . 4.690 4.123 2.179 4.779 0.089 16 0 "[ . 1 . 2]" 1
743 1 46 TRP HB3 1 46 TRP HD1 3.790 . 4.170 3.822 3.764 3.879 . 0 0 "[ . 1 . 2]" 1
744 1 46 TRP HB3 1 46 TRP HE3 3.640 . 4.000 2.592 2.474 2.708 . 0 0 "[ . 1 . 2]" 1
745 1 46 TRP HB3 1 46 TRP HZ3 5.500 . 6.050 4.969 4.876 5.046 . 0 0 "[ . 1 . 2]" 1
746 1 46 TRP HB3 1 47 VAL H 4.360 . 4.800 3.123 2.452 3.895 . 0 0 "[ . 1 . 2]" 1
747 1 46 TRP HB3 1 75 THR HA 4.220 . 4.640 3.778 2.889 4.258 . 0 0 "[ . 1 . 2]" 1
748 1 46 TRP HB3 1 75 THR MG 4.480 . 4.930 4.361 2.258 5.019 0.089 16 0 "[ . 1 . 2]" 1
749 1 46 TRP HE3 1 47 VAL H 3.930 . 4.320 3.591 2.963 4.078 . 0 0 "[ . 1 . 2]" 1
750 1 46 TRP HE3 1 47 VAL HB 5.500 . 6.050 5.924 5.192 6.127 0.077 5 0 "[ . 1 . 2]" 1
751 1 46 TRP HE3 1 47 VAL MG2 5.500 . 6.050 5.609 4.969 5.816 . 0 0 "[ . 1 . 2]" 1
752 1 47 VAL H 1 47 VAL HB 3.350 . 3.690 2.698 2.499 2.894 . 0 0 "[ . 1 . 2]" 1
753 1 47 VAL H 1 47 VAL MG1 4.060 . 4.470 3.900 3.797 3.989 . 0 0 "[ . 1 . 2]" 1
754 1 47 VAL H 1 47 VAL MG2 3.620 . 3.980 2.703 2.194 3.010 . 0 0 "[ . 1 . 2]" 1
755 1 47 VAL H 1 48 LEU H 5.210 . 5.730 4.144 3.917 4.463 . 0 0 "[ . 1 . 2]" 1
756 1 47 VAL H 1 75 THR MG 5.500 . 6.050 5.761 4.864 6.167 0.117 10 0 "[ . 1 . 2]" 1
757 1 47 VAL HA 1 48 LEU H 3.110 . 3.420 2.117 2.067 2.158 . 0 0 "[ . 1 . 2]" 1
758 1 47 VAL HA 1 48 LEU QB 4.590 . 5.050 4.109 3.988 4.179 . 0 0 "[ . 1 . 2]" 1
759 1 47 VAL HA 1 75 THR MG 4.640 . 5.100 4.896 4.578 5.181 0.081 11 0 "[ . 1 . 2]" 1
760 1 47 VAL HA 1 76 PHE H 3.900 . 4.290 2.833 2.306 3.359 . 0 0 "[ . 1 . 2]" 1
761 1 47 VAL HA 1 76 PHE HB2 4.760 . 5.240 4.103 3.610 4.506 . 0 0 "[ . 1 . 2]" 1
762 1 47 VAL HA 1 76 PHE HB3 4.760 . 5.240 2.625 2.164 2.971 . 0 0 "[ . 1 . 2]" 1
763 1 47 VAL HB 1 48 LEU H 4.500 . 4.950 4.309 4.124 4.439 . 0 0 "[ . 1 . 2]" 1
764 1 47 VAL MG1 1 48 LEU H 3.400 . 3.740 3.025 2.670 3.280 . 0 0 "[ . 1 . 2]" 1
765 1 47 VAL MG1 1 49 TYR H 4.460 . 4.910 3.247 2.931 3.817 . 0 0 "[ . 1 . 2]" 1
766 1 47 VAL MG1 1 49 TYR QB 4.560 . 5.020 2.791 2.549 3.199 . 0 0 "[ . 1 . 2]" 1
767 1 47 VAL MG1 1 65 ILE MD 3.560 . 3.920 2.282 2.006 2.926 . 0 0 "[ . 1 . 2]" 1
768 1 47 VAL MG1 1 76 PHE QD 3.310 . 3.640 2.327 1.858 2.918 . 0 0 "[ . 1 . 2]" 1
769 1 47 VAL MG1 1 78 ALA H 4.000 . 4.400 3.127 2.802 3.653 . 0 0 "[ . 1 . 2]" 1
770 1 47 VAL MG1 1 78 ALA MB 3.540 . 3.890 2.100 1.799 2.317 0.001 11 0 "[ . 1 . 2]" 1
771 1 47 VAL MG2 1 48 LEU H 4.800 . 5.280 4.186 4.030 4.319 . 0 0 "[ . 1 . 2]" 1
772 1 47 VAL MG2 1 76 PHE H 4.320 . 4.750 3.706 3.295 4.353 . 0 0 "[ . 1 . 2]" 1
773 1 47 VAL MG2 1 76 PHE HB2 4.490 . 4.940 3.533 2.918 4.304 . 0 0 "[ . 1 . 2]" 1
774 1 47 VAL MG2 1 76 PHE HB3 4.180 . 4.600 2.352 1.937 2.956 . 0 0 "[ . 1 . 2]" 1
775 1 47 VAL MG2 1 76 PHE QD 3.700 . 4.070 3.365 2.586 3.850 . 0 0 "[ . 1 . 2]" 1
776 1 48 LEU H 1 48 LEU HB2 3.800 . 4.180 2.801 2.609 3.075 . 0 0 "[ . 1 . 2]" 1
777 1 48 LEU H 1 48 LEU QB 3.280 . 3.610 2.340 2.275 2.462 . 0 0 "[ . 1 . 2]" 1
778 1 48 LEU H 1 48 LEU HB3 3.800 . 4.180 2.511 2.424 2.591 . 0 0 "[ . 1 . 2]" 1
779 1 48 LEU H 1 48 LEU MD1 4.280 . 4.710 4.285 4.162 4.353 . 0 0 "[ . 1 . 2]" 1
780 1 48 LEU H 1 48 LEU MD2 4.500 . 4.950 4.408 4.329 4.572 . 0 0 "[ . 1 . 2]" 1
781 1 48 LEU H 1 48 LEU HG 4.870 . 5.360 4.481 4.419 4.542 . 0 0 "[ . 1 . 2]" 1
782 1 48 LEU H 1 75 THR MG 4.120 . 4.530 3.994 3.553 4.621 0.091 6 0 "[ . 1 . 2]" 1
783 1 48 LEU H 1 76 PHE H 4.750 . 5.220 3.723 3.087 4.144 . 0 0 "[ . 1 . 2]" 1
784 1 48 LEU H 1 76 PHE HB3 4.910 . 5.400 4.012 3.350 4.410 . 0 0 "[ . 1 . 2]" 1
785 1 48 LEU H 1 76 PHE QD 4.830 . 5.310 4.455 4.039 4.781 . 0 0 "[ . 1 . 2]" 1
786 1 48 LEU H 1 78 ALA MB 4.650 . 5.120 4.325 3.588 4.744 . 0 0 "[ . 1 . 2]" 1
787 1 48 LEU HA 1 48 LEU MD1 3.580 . 3.940 2.114 2.039 2.144 . 0 0 "[ . 1 . 2]" 1
788 1 48 LEU HA 1 48 LEU MD2 3.910 . 4.300 3.937 3.888 3.973 . 0 0 "[ . 1 . 2]" 1
789 1 48 LEU HA 1 48 LEU HG 4.240 . 4.660 3.183 3.075 3.280 . 0 0 "[ . 1 . 2]" 1
790 1 48 LEU HA 1 49 TYR H 3.100 . 3.410 2.192 2.066 2.317 . 0 0 "[ . 1 . 2]" 1
791 1 48 LEU QB 1 48 LEU MD2 3.090 . 3.400 2.140 2.124 2.161 . 0 0 "[ . 1 . 2]" 1
792 1 48 LEU QB 1 75 THR MG 3.440 . 3.780 2.780 2.163 3.848 0.068 6 0 "[ . 1 . 2]" 1
793 1 48 LEU HB2 1 48 LEU MD1 3.390 . 3.730 2.463 2.398 2.522 . 0 0 "[ . 1 . 2]" 1
794 1 48 LEU HB2 1 75 THR MG 4.110 . 4.520 2.961 2.265 4.213 . 0 0 "[ . 1 . 2]" 1
795 1 48 LEU HB3 1 48 LEU MD1 3.390 . 3.730 3.255 3.240 3.270 . 0 0 "[ . 1 . 2]" 1
796 1 48 LEU HB3 1 75 THR MG 4.110 . 4.520 3.428 2.737 4.448 . 0 0 "[ . 1 . 2]" 1
797 1 48 LEU MD1 1 49 TYR H 3.550 . 3.900 3.176 2.419 3.435 . 0 0 "[ . 1 . 2]" 1
798 1 48 LEU MD1 1 50 LYS QE 4.320 . 4.750 3.566 2.428 4.762 0.012 10 0 "[ . 1 . 2]" 1
799 1 48 LEU MD2 1 50 LYS HE2 4.190 . 4.610 2.891 2.098 4.643 0.033 3 0 "[ . 1 . 2]" 1
800 1 48 LEU MD2 1 50 LYS HE3 4.190 . 4.610 3.425 1.829 4.669 0.059 1 0 "[ . 1 . 2]" 1
801 1 48 LEU MD2 1 50 LYS QG 4.020 . 4.420 3.516 2.946 4.551 0.131 14 0 "[ . 1 . 2]" 1
802 1 48 LEU HG 1 49 TYR H 4.070 . 4.480 4.035 3.520 4.239 . 0 0 "[ . 1 . 2]" 1
803 1 49 TYR H 1 49 TYR HB2 3.830 . 4.210 2.977 2.820 3.166 . 0 0 "[ . 1 . 2]" 1
804 1 49 TYR H 1 49 TYR QB 3.350 . 3.690 2.361 2.305 2.447 . 0 0 "[ . 1 . 2]" 1
805 1 49 TYR H 1 49 TYR HB3 3.830 . 4.210 2.477 2.412 2.564 . 0 0 "[ . 1 . 2]" 1
806 1 49 TYR H 1 49 TYR QD 4.580 . 5.040 4.284 4.256 4.323 . 0 0 "[ . 1 . 2]" 1
807 1 49 TYR H 1 50 LYS H 4.630 . 5.090 4.375 4.295 4.569 . 0 0 "[ . 1 . 2]" 1
808 1 49 TYR H 1 78 ALA MB 4.680 . 5.150 3.978 3.460 4.380 . 0 0 "[ . 1 . 2]" 1
809 1 49 TYR HA 1 49 TYR QD 3.250 . 3.580 2.509 2.395 2.719 . 0 0 "[ . 1 . 2]" 1
810 1 49 TYR HA 1 49 TYR QE 4.830 . 5.310 4.597 4.531 4.709 . 0 0 "[ . 1 . 2]" 1
811 1 49 TYR HA 1 50 LYS H 2.980 . 3.280 2.195 2.157 2.294 . 0 0 "[ . 1 . 2]" 1
812 1 49 TYR HA 1 78 ALA H 4.200 . 4.620 3.133 2.627 3.567 . 0 0 "[ . 1 . 2]" 1
813 1 49 TYR HA 1 78 ALA MB 4.090 . 4.500 2.366 1.985 2.831 . 0 0 "[ . 1 . 2]" 1
814 1 49 TYR QB 1 78 ALA MB 4.020 . 4.420 2.375 2.115 2.757 . 0 0 "[ . 1 . 2]" 1
815 1 49 TYR QB 1 81 LEU MD1 4.530 . 4.980 3.279 2.628 3.605 . 0 0 "[ . 1 . 2]" 1
816 1 49 TYR QD 1 50 LYS H 3.750 . 4.130 3.333 2.565 3.576 . 0 0 "[ . 1 . 2]" 1
817 1 49 TYR QD 1 50 LYS HA 4.910 . 5.400 4.533 4.230 4.766 . 0 0 "[ . 1 . 2]" 1
818 1 49 TYR QD 1 51 GLY H 4.940 . 5.430 4.606 4.197 5.168 . 0 0 "[ . 1 . 2]" 1
819 1 49 TYR QD 1 53 VAL HA 4.340 . 4.770 3.758 3.275 4.204 . 0 0 "[ . 1 . 2]" 1
820 1 49 TYR QD 1 53 VAL MG2 3.450 . 3.790 2.232 1.893 2.707 . 0 0 "[ . 1 . 2]" 1
821 1 49 TYR QD 1 78 ALA HA 4.630 . 5.090 4.554 4.270 5.018 . 0 0 "[ . 1 . 2]" 1
822 1 49 TYR QD 1 78 ALA MB 3.220 . 3.540 2.408 2.043 2.876 . 0 0 "[ . 1 . 2]" 1
823 1 49 TYR QD 1 81 LEU H 4.800 . 5.280 4.430 3.920 5.194 . 0 0 "[ . 1 . 2]" 1
824 1 49 TYR QD 1 81 LEU QB 3.690 . 4.060 2.967 2.652 3.256 . 0 0 "[ . 1 . 2]" 1
825 1 49 TYR QD 1 81 LEU MD1 3.700 . 4.070 3.947 2.855 4.214 0.144 3 0 "[ . 1 . 2]" 1
826 1 49 TYR QD 1 81 LEU MD2 3.990 . 4.390 3.000 2.592 4.499 0.109 12 0 "[ . 1 . 2]" 1
827 1 49 TYR QE 1 50 LYS H 4.770 . 5.250 4.550 3.571 4.819 . 0 0 "[ . 1 . 2]" 1
828 1 49 TYR QE 1 51 GLY H 5.240 . 5.760 4.469 4.088 4.950 . 0 0 "[ . 1 . 2]" 1
829 1 49 TYR QE 1 51 GLY HA3 4.230 . 4.650 3.640 3.136 4.098 . 0 0 "[ . 1 . 2]" 1
830 1 49 TYR QE 1 52 ALA H 4.960 . 5.460 4.320 3.942 4.630 . 0 0 "[ . 1 . 2]" 1
831 1 49 TYR QE 1 52 ALA MB 4.750 . 5.220 4.531 4.255 4.809 . 0 0 "[ . 1 . 2]" 1
832 1 49 TYR QE 1 53 VAL H 4.580 . 5.040 3.697 3.436 4.205 . 0 0 "[ . 1 . 2]" 1
833 1 49 TYR QE 1 53 VAL HA 3.390 . 3.730 2.228 1.748 2.723 0.052 18 0 "[ . 1 . 2]" 1
834 1 49 TYR QE 1 53 VAL HB 4.840 . 5.320 4.595 4.322 5.046 . 0 0 "[ . 1 . 2]" 1
835 1 49 TYR QE 1 53 VAL MG1 3.930 . 4.320 3.721 3.386 4.150 . 0 0 "[ . 1 . 2]" 1
836 1 49 TYR QE 1 53 VAL MG2 3.370 . 3.710 2.499 2.097 2.808 . 0 0 "[ . 1 . 2]" 1
837 1 49 TYR QE 1 54 PRO HD2 4.290 . 4.720 3.704 2.987 4.571 . 0 0 "[ . 1 . 2]" 1
838 1 49 TYR QE 1 54 PRO QD 3.730 . 4.100 3.190 2.560 3.472 . 0 0 "[ . 1 . 2]" 1
839 1 49 TYR QE 1 54 PRO HD3 4.290 . 4.720 3.556 2.633 3.978 . 0 0 "[ . 1 . 2]" 1
840 1 49 TYR QE 1 78 ALA MB 4.110 . 4.520 4.134 3.759 4.569 0.049 20 0 "[ . 1 . 2]" 1
841 1 49 TYR QE 1 80 THR HA 3.260 . 3.590 2.343 2.043 2.642 . 0 0 "[ . 1 . 2]" 1
842 1 49 TYR QE 1 80 THR MG 4.550 . 5.010 4.131 3.816 4.442 . 0 0 "[ . 1 . 2]" 1
843 1 49 TYR QE 1 81 LEU H 3.590 . 3.950 3.030 2.542 3.608 . 0 0 "[ . 1 . 2]" 1
844 1 49 TYR QE 1 81 LEU QB 3.740 . 4.110 2.965 2.823 3.122 . 0 0 "[ . 1 . 2]" 1
845 1 49 TYR QE 1 81 LEU MD2 3.990 . 4.390 3.297 2.960 4.060 . 0 0 "[ . 1 . 2]" 1
846 1 50 LYS H 1 50 LYS HB2 3.740 . 4.110 2.528 2.268 2.801 . 0 0 "[ . 1 . 2]" 1
847 1 50 LYS H 1 50 LYS QB 3.160 . 3.480 2.488 2.242 2.739 . 0 0 "[ . 1 . 2]" 1
848 1 50 LYS H 1 50 LYS HB3 3.740 . 4.110 3.707 3.529 3.868 . 0 0 "[ . 1 . 2]" 1
849 1 50 LYS H 1 50 LYS QD 4.630 . 5.090 4.113 2.636 4.857 . 0 0 "[ . 1 . 2]" 1
850 1 50 LYS H 1 50 LYS QE 4.350 . 4.790 4.237 2.624 4.968 0.178 17 0 "[ . 1 . 2]" 1
851 1 50 LYS H 1 50 LYS QG 3.690 . 4.060 2.929 2.518 3.789 . 0 0 "[ . 1 . 2]" 1
852 1 50 LYS H 1 51 GLY H 4.490 . 4.940 4.332 4.074 4.519 . 0 0 "[ . 1 . 2]" 1
853 1 50 LYS H 1 78 ALA MB 5.060 . 5.570 4.094 3.688 4.611 . 0 0 "[ . 1 . 2]" 1
854 1 50 LYS HA 1 50 LYS QD 4.160 . 4.580 3.909 2.478 4.225 . 0 0 "[ . 1 . 2]" 1
855 1 50 LYS HA 1 50 LYS HG2 4.250 . 4.680 2.774 2.481 3.748 . 0 0 "[ . 1 . 2]" 1
856 1 50 LYS HA 1 50 LYS QG 3.620 . 3.980 2.472 2.400 2.574 . 0 0 "[ . 1 . 2]" 1
857 1 50 LYS HA 1 50 LYS HG3 4.250 . 4.680 2.996 2.510 3.318 . 0 0 "[ . 1 . 2]" 1
858 1 50 LYS HA 1 51 GLY H 3.020 . 3.320 2.152 2.075 2.247 . 0 0 "[ . 1 . 2]" 1
859 1 50 LYS QB 1 51 GLY H 3.760 . 4.140 3.271 2.684 3.543 . 0 0 "[ . 1 . 2]" 1
860 1 50 LYS HB2 1 51 GLY H 4.640 . 5.100 4.268 3.822 4.490 . 0 0 "[ . 1 . 2]" 1
861 1 50 LYS HB3 1 51 GLY H 4.640 . 5.100 3.403 2.742 3.726 . 0 0 "[ . 1 . 2]" 1
862 1 50 LYS QG 1 51 GLY H 4.210 . 4.630 4.167 3.840 4.351 . 0 0 "[ . 1 . 2]" 1
863 1 50 LYS HG2 1 51 GLY H 4.860 . 5.350 4.578 4.150 5.412 0.062 14 0 "[ . 1 . 2]" 1
864 1 50 LYS HG3 1 51 GLY H 4.860 . 5.350 4.955 4.017 5.298 . 0 0 "[ . 1 . 2]" 1
865 1 51 GLY H 1 52 ALA H 4.570 . 5.030 4.410 4.348 4.495 . 0 0 "[ . 1 . 2]" 1
866 1 51 GLY H 1 53 VAL MG2 4.670 . 5.140 4.197 3.861 4.833 . 0 0 "[ . 1 . 2]" 1
867 1 51 GLY HA2 1 52 ALA H 3.180 . 3.500 2.633 2.454 2.807 . 0 0 "[ . 1 . 2]" 1
868 1 51 GLY HA2 1 52 ALA MB 4.900 . 5.390 4.269 4.146 4.373 . 0 0 "[ . 1 . 2]" 1
869 1 51 GLY HA3 1 52 ALA H 3.180 . 3.500 2.526 2.353 2.685 . 0 0 "[ . 1 . 2]" 1
870 1 51 GLY HA3 1 52 ALA MB 4.690 . 5.160 4.300 4.170 4.402 . 0 0 "[ . 1 . 2]" 1
871 1 52 ALA H 1 52 ALA MB 2.780 . 3.060 2.242 2.217 2.290 . 0 0 "[ . 1 . 2]" 1
872 1 52 ALA H 1 53 VAL H 4.620 . 5.080 4.434 4.373 4.572 . 0 0 "[ . 1 . 2]" 1
873 1 52 ALA H 1 53 VAL MG2 5.090 . 5.600 5.018 4.902 5.207 . 0 0 "[ . 1 . 2]" 1
874 1 52 ALA HA 1 53 VAL H 2.840 . 3.120 2.157 2.129 2.197 . 0 0 "[ . 1 . 2]" 1
875 1 52 ALA HA 1 53 VAL HB 4.870 . 5.360 4.683 4.585 4.777 . 0 0 "[ . 1 . 2]" 1
876 1 52 ALA HA 1 53 VAL MG2 4.530 . 4.980 3.635 3.465 3.852 . 0 0 "[ . 1 . 2]" 1
877 1 52 ALA MB 1 53 VAL H 3.460 . 3.810 3.320 3.120 3.411 . 0 0 "[ . 1 . 2]" 1
878 1 53 VAL H 1 53 VAL HB 3.210 . 3.530 2.552 2.483 2.624 . 0 0 "[ . 1 . 2]" 1
879 1 53 VAL H 1 53 VAL MG1 4.080 . 4.490 3.830 3.806 3.860 . 0 0 "[ . 1 . 2]" 1
880 1 53 VAL H 1 53 VAL MG2 3.290 . 3.620 2.192 2.087 2.319 . 0 0 "[ . 1 . 2]" 1
881 1 53 VAL HA 1 54 PRO HD2 3.640 . 4.000 2.231 1.956 2.683 . 0 0 "[ . 1 . 2]" 1
882 1 53 VAL HA 1 54 PRO HD3 3.640 . 4.000 2.446 1.983 2.732 . 0 0 "[ . 1 . 2]" 1
883 1 53 VAL HA 1 81 LEU MD2 4.530 . 4.980 3.219 2.763 4.345 . 0 0 "[ . 1 . 2]" 1
884 1 53 VAL HB 1 54 PRO QD 4.380 . 4.820 4.214 4.082 4.353 . 0 0 "[ . 1 . 2]" 1
885 1 53 VAL MG1 1 54 PRO HD2 4.370 . 4.810 2.519 2.260 2.846 . 0 0 "[ . 1 . 2]" 1
886 1 53 VAL MG1 1 54 PRO QD 3.750 . 4.130 2.478 2.239 2.794 . 0 0 "[ . 1 . 2]" 1
887 1 53 VAL MG1 1 54 PRO HD3 4.370 . 4.810 3.736 3.344 4.096 . 0 0 "[ . 1 . 2]" 1
888 1 53 VAL MG1 1 54 PRO QG 4.980 . 5.480 3.649 3.150 4.394 . 0 0 "[ . 1 . 2]" 1
889 1 53 VAL MG1 1 57 PHE H 4.050 . 4.460 4.114 3.925 4.345 . 0 0 "[ . 1 . 2]" 1
890 1 53 VAL MG1 1 57 PHE HB2 4.290 . 4.720 3.156 2.964 3.520 . 0 0 "[ . 1 . 2]" 1
891 1 53 VAL MG1 1 57 PHE QB 3.460 . 3.810 2.316 2.158 2.541 . 0 0 "[ . 1 . 2]" 1
892 1 53 VAL MG1 1 57 PHE HB3 4.290 . 4.720 2.385 2.217 2.638 . 0 0 "[ . 1 . 2]" 1
893 1 53 VAL MG1 1 57 PHE QD 4.220 . 4.640 2.529 2.278 2.733 . 0 0 "[ . 1 . 2]" 1
894 1 53 VAL MG1 1 81 LEU MD2 4.240 . 4.660 2.789 2.192 4.178 . 0 0 "[ . 1 . 2]" 1
895 1 54 PRO HA 1 55 ASP H 2.840 . 3.120 2.267 2.203 2.422 . 0 0 "[ . 1 . 2]" 1
896 1 54 PRO HA 1 56 THR H 4.310 . 4.740 3.877 3.614 4.074 . 0 0 "[ . 1 . 2]" 1
897 1 54 PRO HB2 1 55 ASP H 3.920 . 4.310 3.230 2.588 3.940 . 0 0 "[ . 1 . 2]" 1
898 1 54 PRO HB2 1 56 THR H 3.590 . 3.950 2.590 2.054 3.386 . 0 0 "[ . 1 . 2]" 1
899 1 54 PRO HB2 1 56 THR MG 4.520 . 4.970 3.225 1.791 4.583 0.009 14 0 "[ . 1 . 2]" 1
900 1 54 PRO HB2 1 57 PHE H 3.970 . 4.370 2.957 2.077 3.819 . 0 0 "[ . 1 . 2]" 1
901 1 54 PRO HB2 1 57 PHE QB 4.660 . 5.130 3.612 2.337 4.728 . 0 0 "[ . 1 . 2]" 1
902 1 54 PRO HB3 1 55 ASP H 3.780 . 4.160 3.651 3.123 3.975 . 0 0 "[ . 1 . 2]" 1
903 1 54 PRO HB3 1 56 THR H 4.070 . 4.480 3.852 2.970 4.223 . 0 0 "[ . 1 . 2]" 1
904 1 54 PRO HD2 1 81 LEU MD2 4.260 . 4.690 2.134 1.702 3.192 0.098 10 0 "[ . 1 . 2]" 1
905 1 54 PRO HD3 1 81 LEU MD2 4.260 . 4.690 3.043 2.437 3.834 . 0 0 "[ . 1 . 2]" 1
906 1 54 PRO QG 1 55 ASP H 4.590 . 5.050 4.493 4.068 4.768 . 0 0 "[ . 1 . 2]" 1
907 1 54 PRO QG 1 56 THR H 4.680 . 5.150 3.994 3.115 4.912 . 0 0 "[ . 1 . 2]" 1
908 1 54 PRO QG 1 57 PHE H 4.450 . 4.890 3.100 1.991 4.593 . 0 0 "[ . 1 . 2]" 1
909 1 54 PRO QG 1 57 PHE QB 4.500 . 4.950 2.384 1.718 3.458 0.082 19 0 "[ . 1 . 2]" 1
910 1 54 PRO QG 1 57 PHE QD 5.140 . 5.650 4.118 3.305 5.014 . 0 0 "[ . 1 . 2]" 1
911 1 54 PRO QG 1 81 LEU MD2 4.100 . 4.510 2.890 2.354 3.365 . 0 0 "[ . 1 . 2]" 1
912 1 54 PRO QG 1 83 THR MG 3.950 . 4.350 2.808 2.192 3.889 . 0 0 "[ . 1 . 2]" 1
913 1 54 PRO HG2 1 81 LEU MD2 4.890 . 5.380 3.137 2.391 3.831 . 0 0 "[ . 1 . 2]" 1
914 1 54 PRO HG2 1 83 THR MG 4.590 . 5.050 2.972 2.286 4.074 . 0 0 "[ . 1 . 2]" 1
915 1 54 PRO HG3 1 81 LEU MD2 4.890 . 5.380 3.472 2.643 4.281 . 0 0 "[ . 1 . 2]" 1
916 1 54 PRO HG3 1 83 THR MG 4.590 . 5.050 3.565 2.598 4.922 . 0 0 "[ . 1 . 2]" 1
917 1 55 ASP H 1 55 ASP HB2 3.720 . 4.090 2.780 2.470 3.661 . 0 0 "[ . 1 . 2]" 1
918 1 55 ASP H 1 55 ASP QB 3.040 . 3.340 2.468 2.217 2.686 . 0 0 "[ . 1 . 2]" 1
919 1 55 ASP H 1 55 ASP HB3 3.720 . 4.090 3.197 2.430 3.654 . 0 0 "[ . 1 . 2]" 1
920 1 55 ASP H 1 56 THR H 3.570 . 3.930 2.559 2.334 2.677 . 0 0 "[ . 1 . 2]" 1
921 1 55 ASP H 1 56 THR MG 4.750 . 5.220 4.012 3.601 5.524 0.304 16 0 "[ . 1 . 2]" 1
922 1 55 ASP H 1 57 PHE H 4.760 . 5.240 4.127 3.973 4.406 . 0 0 "[ . 1 . 2]" 1
923 1 55 ASP HA 1 57 PHE H 4.210 . 4.630 3.820 3.682 4.039 . 0 0 "[ . 1 . 2]" 1
924 1 55 ASP HB2 1 56 THR H 4.220 . 4.640 3.474 2.878 4.228 . 0 0 "[ . 1 . 2]" 1
925 1 55 ASP HB3 1 56 THR H 4.220 . 4.640 3.842 2.940 4.235 . 0 0 "[ . 1 . 2]" 1
926 1 56 THR H 1 56 THR MG 3.230 . 3.550 2.340 1.923 3.701 0.151 16 0 "[ . 1 . 2]" 1
927 1 56 THR H 1 57 PHE H 3.310 . 3.640 2.523 2.433 2.587 . 0 0 "[ . 1 . 2]" 1
928 1 56 THR H 1 57 PHE HB2 5.170 . 5.690 4.938 4.763 5.068 . 0 0 "[ . 1 . 2]" 1
929 1 56 THR H 1 57 PHE QB 4.450 . 4.890 4.307 4.207 4.398 . 0 0 "[ . 1 . 2]" 1
930 1 56 THR H 1 57 PHE HB3 5.170 . 5.690 4.750 4.569 4.873 . 0 0 "[ . 1 . 2]" 1
931 1 56 THR H 1 83 THR MG 4.750 . 5.220 4.356 3.925 4.869 . 0 0 "[ . 1 . 2]" 1
932 1 56 THR HA 1 56 THR MG 3.260 . 3.590 2.669 2.287 3.268 . 0 0 "[ . 1 . 2]" 1
933 1 56 THR HB 1 57 PHE H 4.700 . 5.170 4.024 2.702 4.322 . 0 0 "[ . 1 . 2]" 1
934 1 56 THR HB 1 83 THR MG 4.320 . 4.750 3.572 2.785 4.806 0.056 13 0 "[ . 1 . 2]" 1
935 1 56 THR MG 1 57 PHE H 4.410 . 4.850 3.621 2.475 4.344 . 0 0 "[ . 1 . 2]" 1
936 1 57 PHE H 1 57 PHE HB2 3.240 . 3.560 2.693 2.580 2.795 . 0 0 "[ . 1 . 2]" 1
937 1 57 PHE H 1 57 PHE QB 2.820 . 3.100 2.289 2.207 2.329 . 0 0 "[ . 1 . 2]" 1
938 1 57 PHE H 1 57 PHE HB3 3.240 . 3.560 2.482 2.337 2.557 . 0 0 "[ . 1 . 2]" 1
939 1 57 PHE H 1 57 PHE QD 4.260 . 4.690 4.252 4.175 4.283 . 0 0 "[ . 1 . 2]" 1
940 1 57 PHE H 1 58 LYS H 4.380 . 4.820 4.442 4.160 4.597 . 0 0 "[ . 1 . 2]" 1
941 1 57 PHE H 1 83 THR MG 4.120 . 4.530 3.169 2.754 3.841 . 0 0 "[ . 1 . 2]" 1
942 1 57 PHE HA 1 57 PHE QD 3.690 . 4.060 2.891 2.614 3.051 . 0 0 "[ . 1 . 2]" 1
943 1 57 PHE HA 1 58 LYS H 2.890 . 3.180 2.156 2.087 2.219 . 0 0 "[ . 1 . 2]" 1
944 1 57 PHE HA 1 61 VAL MG1 4.200 . 4.620 2.237 1.784 3.319 0.016 7 0 "[ . 1 . 2]" 1
945 1 57 PHE HA 1 83 THR MG 3.790 . 4.170 2.386 1.916 2.974 . 0 0 "[ . 1 . 2]" 1
946 1 57 PHE QB 1 81 LEU MD2 4.500 . 4.950 2.710 1.904 3.281 . 0 0 "[ . 1 . 2]" 1
947 1 57 PHE HB2 1 58 LYS H 4.640 . 5.100 4.280 4.050 4.509 . 0 0 "[ . 1 . 2]" 1
948 1 57 PHE HB2 1 83 THR MG 4.790 . 5.270 2.848 2.180 3.763 . 0 0 "[ . 1 . 2]" 1
949 1 57 PHE HB3 1 58 LYS H 4.640 . 5.100 4.293 4.073 4.498 . 0 0 "[ . 1 . 2]" 1
950 1 57 PHE HB3 1 83 THR MG 4.790 . 5.270 4.042 3.548 4.875 . 0 0 "[ . 1 . 2]" 1
951 1 57 PHE QD 1 58 LYS HA 4.500 . 4.950 4.001 3.583 4.793 . 0 0 "[ . 1 . 2]" 1
952 1 57 PHE QD 1 63 VAL MG1 4.280 . 4.710 2.257 1.833 2.701 . 0 0 "[ . 1 . 2]" 1
953 1 57 PHE QD 1 63 VAL MG2 4.120 . 4.530 4.048 3.422 4.561 0.031 12 0 "[ . 1 . 2]" 1
954 1 57 PHE QD 1 81 LEU MD1 4.270 . 4.700 2.921 2.327 3.546 . 0 0 "[ . 1 . 2]" 1
955 1 57 PHE QD 1 81 LEU MD2 3.810 . 4.190 2.357 2.007 2.738 . 0 0 "[ . 1 . 2]" 1
956 1 57 PHE QD 1 83 THR MG 4.440 . 4.880 2.995 2.341 3.845 . 0 0 "[ . 1 . 2]" 1
957 1 57 PHE QE 1 63 VAL MG1 4.230 . 4.650 2.870 2.263 3.370 . 0 0 "[ . 1 . 2]" 1
958 1 57 PHE QE 1 63 VAL MG2 4.630 . 5.090 3.325 2.613 4.029 . 0 0 "[ . 1 . 2]" 1
959 1 57 PHE QE 1 81 LEU MD1 4.210 . 4.630 2.994 2.152 3.765 . 0 0 "[ . 1 . 2]" 1
960 1 57 PHE QE 1 81 LEU MD2 4.240 . 4.660 3.244 2.909 3.694 . 0 0 "[ . 1 . 2]" 1
961 1 58 LYS H 1 58 LYS HB2 4.200 . 4.620 3.742 2.617 4.054 . 0 0 "[ . 1 . 2]" 1
962 1 58 LYS H 1 58 LYS QB 3.600 . 3.960 3.144 2.570 3.374 . 0 0 "[ . 1 . 2]" 1
963 1 58 LYS H 1 58 LYS HB3 4.200 . 4.620 3.500 3.079 3.850 . 0 0 "[ . 1 . 2]" 1
964 1 58 LYS H 1 58 LYS HG2 3.880 . 4.270 2.930 2.084 4.338 0.068 17 0 "[ . 1 . 2]" 1
965 1 58 LYS H 1 58 LYS QG 3.390 . 3.730 2.595 2.048 3.177 . 0 0 "[ . 1 . 2]" 1
966 1 58 LYS H 1 58 LYS HG3 3.880 . 4.270 3.173 2.702 3.540 . 0 0 "[ . 1 . 2]" 1
967 1 58 LYS H 1 59 PRO QD 4.660 . 5.130 4.397 4.317 4.491 . 0 0 "[ . 1 . 2]" 1
968 1 58 LYS H 1 61 VAL H 4.520 . 4.970 3.915 3.522 5.003 0.033 15 0 "[ . 1 . 2]" 1
969 1 58 LYS H 1 61 VAL HB 3.870 . 4.260 3.166 2.400 4.018 . 0 0 "[ . 1 . 2]" 1
970 1 58 LYS H 1 61 VAL MG1 3.720 . 4.090 2.029 1.807 3.346 . 0 0 "[ . 1 . 2]" 1
971 1 58 LYS H 1 61 VAL MG2 3.900 . 4.290 3.833 2.390 4.395 0.105 2 0 "[ . 1 . 2]" 1
972 1 58 LYS HA 1 59 PRO QD 3.320 . 3.650 2.163 1.966 2.331 . 0 0 "[ . 1 . 2]" 1
973 1 58 LYS QB 1 59 PRO QD 3.410 . 3.750 2.284 2.000 2.626 . 0 0 "[ . 1 . 2]" 1
974 1 58 LYS HB2 1 58 LYS QD 3.070 . 3.380 2.560 2.377 3.008 . 0 0 "[ . 1 . 2]" 1
975 1 58 LYS HB2 1 59 PRO QD 3.900 . 4.290 2.523 2.019 3.878 . 0 0 "[ . 1 . 2]" 1
976 1 58 LYS HB3 1 58 LYS QD 3.070 . 3.380 2.575 2.367 3.383 0.003 13 0 "[ . 1 . 2]" 1
977 1 58 LYS HB3 1 59 PRO QD 3.900 . 4.290 3.264 2.232 3.666 . 0 0 "[ . 1 . 2]" 1
978 1 58 LYS QE 1 61 VAL MG1 4.240 . 4.660 4.025 3.082 4.580 . 0 0 "[ . 1 . 2]" 1
979 1 58 LYS QE 1 61 VAL MG2 4.150 . 4.570 3.191 2.410 4.657 0.087 9 0 "[ . 1 . 2]" 1
980 1 59 PRO HA 1 60 GLY H 3.180 . 3.500 2.210 2.165 2.259 . 0 0 "[ . 1 . 2]" 1
981 1 59 PRO HA 1 60 GLY HA2 4.660 . 5.130 4.388 4.343 4.471 . 0 0 "[ . 1 . 2]" 1
982 1 59 PRO HA 1 60 GLY HA3 4.660 . 5.130 4.489 4.470 4.525 . 0 0 "[ . 1 . 2]" 1
983 1 59 PRO HA 1 61 VAL H 4.010 . 4.410 3.821 3.551 4.509 0.099 15 0 "[ . 1 . 2]" 1
984 1 59 PRO QB 1 60 GLY H 3.900 . 4.290 3.666 3.216 3.803 . 0 0 "[ . 1 . 2]" 1
985 1 60 GLY H 1 61 VAL H 3.600 . 3.960 2.324 2.154 2.793 . 0 0 "[ . 1 . 2]" 1
986 1 61 VAL H 1 61 VAL HB 3.280 . 3.610 2.683 2.466 3.402 . 0 0 "[ . 1 . 2]" 1
987 1 61 VAL H 1 61 VAL MG1 3.800 . 4.180 2.339 2.112 3.821 . 0 0 "[ . 1 . 2]" 1
988 1 61 VAL H 1 61 VAL MG2 3.950 . 4.350 3.816 2.435 4.105 . 0 0 "[ . 1 . 2]" 1
989 1 61 VAL H 1 62 GLU H 4.750 . 5.220 4.588 4.177 4.658 . 0 0 "[ . 1 . 2]" 1
990 1 61 VAL HA 1 62 GLU H 2.950 . 3.250 2.246 2.129 2.335 . 0 0 "[ . 1 . 2]" 1
991 1 61 VAL HB 1 62 GLU H 4.280 . 4.710 4.201 4.121 4.330 . 0 0 "[ . 1 . 2]" 1
992 1 61 VAL MG1 1 62 GLU H 3.890 . 4.280 3.690 2.893 4.021 . 0 0 "[ . 1 . 2]" 1
993 1 61 VAL MG1 1 83 THR HB 4.650 . 5.120 3.456 2.259 4.029 . 0 0 "[ . 1 . 2]" 1
994 1 61 VAL MG1 1 84 LYS H 4.510 . 4.960 4.444 2.323 5.041 0.081 15 0 "[ . 1 . 2]" 1
995 1 61 VAL MG2 1 62 GLU H 3.800 . 4.180 2.509 2.266 4.035 . 0 0 "[ . 1 . 2]" 1
996 1 61 VAL MG2 1 84 LYS H 4.230 . 4.650 3.312 2.056 4.652 0.002 1 0 "[ . 1 . 2]" 1
997 1 62 GLU H 1 62 GLU QB 3.460 . 3.810 2.415 2.226 2.501 . 0 0 "[ . 1 . 2]" 1
998 1 62 GLU H 1 62 GLU HG2 4.370 . 4.810 3.586 2.321 4.602 . 0 0 "[ . 1 . 2]" 1
999 1 62 GLU H 1 62 GLU QG 3.630 . 3.990 2.576 2.203 4.055 0.065 12 0 "[ . 1 . 2]" 1
1000 1 62 GLU H 1 62 GLU HG3 4.370 . 4.810 2.731 2.233 4.506 . 0 0 "[ . 1 . 2]" 1
1001 1 62 GLU H 1 63 VAL H 4.540 . 4.990 4.497 4.331 4.621 . 0 0 "[ . 1 . 2]" 1
1002 1 62 GLU HA 1 62 GLU QG 3.730 . 4.100 2.505 2.396 3.071 . 0 0 "[ . 1 . 2]" 1
1003 1 62 GLU HA 1 63 VAL H 2.990 . 3.290 2.180 2.108 2.301 . 0 0 "[ . 1 . 2]" 1
1004 1 62 GLU HA 1 63 VAL MG2 4.420 . 4.860 3.781 3.589 3.995 . 0 0 "[ . 1 . 2]" 1
1005 1 62 GLU QB 1 84 LYS H 4.730 . 5.200 3.602 3.191 4.590 . 0 0 "[ . 1 . 2]" 1
1006 1 62 GLU QB 1 84 LYS QB 3.780 . 4.160 2.308 1.761 3.078 0.039 17 0 "[ . 1 . 2]" 1
1007 1 62 GLU QB 1 85 CYS H 4.880 . 5.370 3.914 2.472 5.275 . 0 0 "[ . 1 . 2]" 1
1008 1 62 GLU HB2 1 63 VAL H 5.500 . 6.050 4.216 3.977 4.434 . 0 0 "[ . 1 . 2]" 1
1009 1 62 GLU HB2 1 84 LYS H 5.500 . 6.050 3.936 3.330 6.111 0.061 1 0 "[ . 1 . 2]" 1
1010 1 62 GLU HB2 1 84 LYS HB2 5.500 . 6.050 3.208 1.796 5.249 0.004 17 0 "[ . 1 . 2]" 1
1011 1 62 GLU HB2 1 84 LYS HB3 5.500 . 6.050 3.305 1.828 6.053 0.003 1 0 "[ . 1 . 2]" 1
1012 1 62 GLU HB3 1 63 VAL H 5.500 . 6.050 3.377 2.896 4.231 . 0 0 "[ . 1 . 2]" 1
1013 1 62 GLU HB3 1 84 LYS H 5.500 . 6.050 4.419 3.501 5.011 . 0 0 "[ . 1 . 2]" 1
1014 1 62 GLU HB3 1 84 LYS HB2 5.500 . 6.050 3.593 2.664 4.544 . 0 0 "[ . 1 . 2]" 1
1015 1 62 GLU HB3 1 84 LYS HB3 5.500 . 6.050 3.854 2.159 5.077 . 0 0 "[ . 1 . 2]" 1
1016 1 62 GLU QG 1 63 VAL H 4.200 . 4.620 4.076 2.752 4.720 0.100 15 0 "[ . 1 . 2]" 1
1017 1 62 GLU HG2 1 63 VAL H 4.850 . 5.330 4.396 3.298 5.229 . 0 0 "[ . 1 . 2]" 1
1018 1 62 GLU HG3 1 63 VAL H 4.850 . 5.330 4.985 2.779 5.374 0.044 15 0 "[ . 1 . 2]" 1
1019 1 63 VAL H 1 63 VAL MG2 3.200 . 3.520 2.287 2.074 2.487 . 0 0 "[ . 1 . 2]" 1
1020 1 63 VAL HA 1 64 ILE H 3.090 . 3.400 2.232 2.159 2.371 . 0 0 "[ . 1 . 2]" 1
1021 1 63 VAL HA 1 83 THR HA 3.770 . 4.150 2.189 1.793 2.774 0.007 4 0 "[ . 1 . 2]" 1
1022 1 63 VAL HA 1 83 THR MG 4.520 . 4.970 3.684 2.819 4.170 . 0 0 "[ . 1 . 2]" 1
1023 1 63 VAL HA 1 84 LYS H 3.970 . 4.370 2.849 1.992 3.535 . 0 0 "[ . 1 . 2]" 1
1024 1 63 VAL HB 1 64 ILE H 3.410 . 3.750 2.547 2.093 2.777 . 0 0 "[ . 1 . 2]" 1
1025 1 63 VAL HB 1 81 LEU MD1 4.210 . 4.630 2.499 2.044 3.664 . 0 0 "[ . 1 . 2]" 1
1026 1 63 VAL HB 1 81 LEU MD2 5.030 . 5.530 4.382 2.665 5.272 . 0 0 "[ . 1 . 2]" 1
1027 1 63 VAL HB 1 81 LEU HG 4.280 . 4.710 3.763 2.615 4.541 . 0 0 "[ . 1 . 2]" 1
1028 1 63 VAL MG1 1 64 ILE H 4.220 . 4.640 3.631 3.406 3.788 . 0 0 "[ . 1 . 2]" 1
1029 1 63 VAL MG1 1 81 LEU MD1 3.790 . 4.170 2.380 2.032 2.848 . 0 0 "[ . 1 . 2]" 1
1030 1 63 VAL MG1 1 82 MET H 4.230 . 4.650 4.415 3.974 4.790 0.140 14 0 "[ . 1 . 2]" 1
1031 1 63 VAL MG1 1 83 THR H 4.710 . 5.180 4.071 3.659 4.782 . 0 0 "[ . 1 . 2]" 1
1032 1 63 VAL MG1 1 83 THR HA 3.940 . 4.330 2.260 1.776 3.060 0.024 5 0 "[ . 1 . 2]" 1
1033 1 63 VAL MG1 1 83 THR HB 4.680 . 5.150 3.488 3.099 3.934 . 0 0 "[ . 1 . 2]" 1
1034 1 63 VAL MG1 1 83 THR MG 3.250 . 3.580 1.883 1.723 2.069 0.077 16 0 "[ . 1 . 2]" 1
1035 1 63 VAL MG1 1 84 LYS H 4.100 . 4.510 3.739 3.159 4.606 0.096 10 0 "[ . 1 . 2]" 1
1036 1 63 VAL MG2 1 64 ILE H 4.730 . 5.200 3.628 3.323 3.782 . 0 0 "[ . 1 . 2]" 1
1037 1 63 VAL MG2 1 65 ILE MG 3.480 . 3.830 2.350 2.080 2.757 . 0 0 "[ . 1 . 2]" 1
1038 1 64 ILE H 1 64 ILE HB 3.670 . 4.040 2.628 2.465 2.790 . 0 0 "[ . 1 . 2]" 1
1039 1 64 ILE H 1 64 ILE MD 4.350 . 4.790 4.030 3.864 4.206 . 0 0 "[ . 1 . 2]" 1
1040 1 64 ILE H 1 64 ILE HG12 4.010 . 4.410 3.882 3.691 4.130 . 0 0 "[ . 1 . 2]" 1
1041 1 64 ILE H 1 64 ILE HG13 3.910 . 4.300 2.771 2.604 3.037 . 0 0 "[ . 1 . 2]" 1
1042 1 64 ILE H 1 81 LEU MD1 4.780 . 5.260 4.047 3.295 5.323 0.063 16 0 "[ . 1 . 2]" 1
1043 1 64 ILE H 1 82 MET ME 4.530 . 4.980 4.566 3.805 5.093 0.113 12 0 "[ . 1 . 2]" 1
1044 1 64 ILE H 1 83 THR HA 4.100 . 4.510 3.444 2.753 4.029 . 0 0 "[ . 1 . 2]" 1
1045 1 64 ILE HA 1 65 ILE H 3.100 . 3.410 2.181 2.152 2.213 . 0 0 "[ . 1 . 2]" 1
1046 1 64 ILE HB 1 64 ILE MD 3.570 . 3.930 2.486 2.450 2.522 . 0 0 "[ . 1 . 2]" 1
1047 1 64 ILE HB 1 65 ILE H 4.470 . 4.920 4.337 4.144 4.430 . 0 0 "[ . 1 . 2]" 1
1048 1 64 ILE HB 1 82 MET H 4.470 . 4.920 3.834 3.207 4.488 . 0 0 "[ . 1 . 2]" 1
1049 1 64 ILE HB 1 82 MET HB2 4.190 . 4.610 4.026 2.197 4.644 0.034 17 0 "[ . 1 . 2]" 1
1050 1 64 ILE HB 1 82 MET HB3 4.190 . 4.610 2.674 1.729 4.637 0.071 13 0 "[ . 1 . 2]" 1
1051 1 64 ILE HB 1 82 MET HG2 5.300 . 5.830 3.720 1.932 5.050 . 0 0 "[ . 1 . 2]" 1
1052 1 64 ILE HB 1 82 MET HG3 5.300 . 5.830 4.705 2.128 5.500 . 0 0 "[ . 1 . 2]" 1
1053 1 64 ILE MD 1 64 ILE MG 3.420 . 3.760 2.027 1.973 2.071 . 0 0 "[ . 1 . 2]" 1
1054 1 64 ILE MD 1 82 MET QB 4.190 . 4.610 3.715 2.911 4.328 . 0 0 "[ . 1 . 2]" 1
1055 1 64 ILE MD 1 82 MET ME 4.280 . 4.710 2.525 1.794 3.975 0.006 4 0 "[ . 1 . 2]" 1
1056 1 64 ILE MD 1 84 LYS QE 4.050 . 4.460 3.207 1.985 4.501 0.041 8 0 "[ . 1 . 2]" 1
1057 1 64 ILE HG12 1 64 ILE MG 3.480 . 3.830 2.479 2.440 2.513 . 0 0 "[ . 1 . 2]" 1
1058 1 64 ILE HG13 1 82 MET QG 5.340 . 5.870 4.410 3.187 5.918 0.048 20 0 "[ . 1 . 2]" 1
1059 1 64 ILE MG 1 65 ILE H 3.540 . 3.890 3.126 2.718 3.290 . 0 0 "[ . 1 . 2]" 1
1060 1 64 ILE MG 1 66 GLU H 5.020 . 5.520 4.804 4.463 5.222 . 0 0 "[ . 1 . 2]" 1
1061 1 64 ILE MG 1 66 GLU QG 5.330 . 5.860 4.458 2.518 5.850 . 0 0 "[ . 1 . 2]" 1
1062 1 64 ILE MG 1 82 MET QB 4.450 . 4.890 3.633 3.170 4.942 0.052 3 0 "[ . 1 . 2]" 1
1063 1 64 ILE MG 1 82 MET ME 4.150 . 4.570 2.859 2.294 4.253 . 0 0 "[ . 1 . 2]" 1
1064 1 65 ILE H 1 65 ILE MD 4.330 . 4.760 3.775 3.642 3.880 . 0 0 "[ . 1 . 2]" 1
1065 1 65 ILE H 1 65 ILE HG12 3.570 . 3.930 2.129 1.939 2.290 . 0 0 "[ . 1 . 2]" 1
1066 1 65 ILE H 1 65 ILE HG13 3.970 . 4.370 3.044 2.858 3.265 . 0 0 "[ . 1 . 2]" 1
1067 1 65 ILE H 1 65 ILE MG 3.630 . 3.990 2.719 2.442 3.225 . 0 0 "[ . 1 . 2]" 1
1068 1 65 ILE H 1 66 GLU H 5.030 . 5.530 4.510 4.304 4.577 . 0 0 "[ . 1 . 2]" 1
1069 1 65 ILE HA 1 66 GLU H 3.090 . 3.400 2.255 2.174 2.382 . 0 0 "[ . 1 . 2]" 1
1070 1 65 ILE HA 1 80 THR H 4.620 . 5.080 4.818 4.184 5.158 0.078 8 0 "[ . 1 . 2]" 1
1071 1 65 ILE HA 1 81 LEU HA 4.380 . 4.820 2.792 2.374 3.214 . 0 0 "[ . 1 . 2]" 1
1072 1 65 ILE HA 1 82 MET H 4.370 . 4.810 3.565 3.129 3.958 . 0 0 "[ . 1 . 2]" 1
1073 1 65 ILE HB 1 66 GLU H 3.640 . 4.000 2.910 2.540 3.333 . 0 0 "[ . 1 . 2]" 1
1074 1 65 ILE HB 1 76 PHE QE 4.390 . 4.830 2.962 2.278 3.681 . 0 0 "[ . 1 . 2]" 1
1075 1 65 ILE HB 1 78 ALA MB 3.950 . 4.350 2.345 1.975 2.730 . 0 0 "[ . 1 . 2]" 1
1076 1 65 ILE MD 1 65 ILE MG 3.260 . 3.590 2.036 1.997 2.068 . 0 0 "[ . 1 . 2]" 1
1077 1 65 ILE MD 1 66 GLU H 5.000 . 5.500 4.759 4.401 5.218 . 0 0 "[ . 1 . 2]" 1
1078 1 65 ILE MD 1 76 PHE QD 3.440 . 3.780 2.362 2.035 2.762 . 0 0 "[ . 1 . 2]" 1
1079 1 65 ILE MD 1 76 PHE QE 3.900 . 4.290 3.033 2.725 3.454 . 0 0 "[ . 1 . 2]" 1
1080 1 65 ILE MD 1 78 ALA MB 3.990 . 4.390 3.063 2.586 3.696 . 0 0 "[ . 1 . 2]" 1
1081 1 65 ILE HG12 1 65 ILE MG 2.400 . 2.640 2.465 2.413 2.501 . 0 0 "[ . 1 . 2]" 1
1082 1 65 ILE HG12 1 76 PHE QE 4.700 . 5.170 4.582 4.100 4.790 . 0 0 "[ . 1 . 2]" 1
1083 1 65 ILE HG13 1 66 GLU H 4.320 . 4.750 4.079 3.710 4.610 . 0 0 "[ . 1 . 2]" 1
1084 1 65 ILE HG13 1 76 PHE QE 4.970 . 5.470 3.074 2.578 3.351 . 0 0 "[ . 1 . 2]" 1
1085 1 65 ILE MG 1 66 GLU H 4.040 . 4.440 3.876 3.748 4.084 . 0 0 "[ . 1 . 2]" 1
1086 1 65 ILE MG 1 78 ALA MB 3.680 . 4.050 2.920 2.526 3.358 . 0 0 "[ . 1 . 2]" 1
1087 1 65 ILE MG 1 81 LEU HA 3.900 . 4.290 3.034 2.233 3.778 . 0 0 "[ . 1 . 2]" 1
1088 1 65 ILE MG 1 81 LEU MD1 3.540 . 3.890 2.026 1.781 2.325 0.019 6 0 "[ . 1 . 2]" 1
1089 1 65 ILE MG 1 82 MET H 4.580 . 5.040 3.888 3.151 4.480 . 0 0 "[ . 1 . 2]" 1
1090 1 66 GLU H 1 66 GLU QB 3.520 . 3.870 2.677 2.446 2.797 . 0 0 "[ . 1 . 2]" 1
1091 1 66 GLU H 1 66 GLU HG2 4.810 . 5.290 4.335 2.714 4.933 . 0 0 "[ . 1 . 2]" 1
1092 1 66 GLU H 1 66 GLU QG 4.190 . 4.610 3.726 2.679 4.219 . 0 0 "[ . 1 . 2]" 1
1093 1 66 GLU H 1 66 GLU HG3 4.810 . 5.290 4.224 2.821 4.892 . 0 0 "[ . 1 . 2]" 1
1094 1 66 GLU H 1 78 ALA HA 4.540 . 4.990 3.896 3.313 4.817 . 0 0 "[ . 1 . 2]" 1
1095 1 66 GLU H 1 78 ALA MB 4.220 . 4.640 3.098 2.587 3.989 . 0 0 "[ . 1 . 2]" 1
1096 1 66 GLU H 1 79 ARG H 4.720 . 5.190 4.281 3.682 4.534 . 0 0 "[ . 1 . 2]" 1
1097 1 66 GLU H 1 80 THR H 3.730 . 4.100 3.162 2.834 3.521 . 0 0 "[ . 1 . 2]" 1
1098 1 66 GLU H 1 80 THR HB 4.900 . 5.390 4.406 2.938 5.332 . 0 0 "[ . 1 . 2]" 1
1099 1 66 GLU H 1 81 LEU HA 4.360 . 4.800 4.021 3.376 4.812 0.012 10 0 "[ . 1 . 2]" 1
1100 1 66 GLU HA 1 67 GLY H 3.060 . 3.370 2.203 2.141 2.274 . 0 0 "[ . 1 . 2]" 1
1101 1 66 GLU HA 1 76 PHE HZ 4.380 . 4.820 3.093 2.290 4.168 . 0 0 "[ . 1 . 2]" 1
1102 1 66 GLU QB 1 67 GLY H 3.740 . 4.110 3.444 2.622 3.868 . 0 0 "[ . 1 . 2]" 1
1103 1 66 GLU QB 1 80 THR H 4.280 . 4.710 3.526 2.937 4.356 . 0 0 "[ . 1 . 2]" 1
1104 1 66 GLU QB 1 80 THR HB 4.160 . 4.580 3.548 1.704 4.442 0.096 13 0 "[ . 1 . 2]" 1
1105 1 66 GLU QB 1 80 THR MG 4.460 . 4.910 3.729 3.027 4.365 . 0 0 "[ . 1 . 2]" 1
1106 1 66 GLU QG 1 67 GLY H 4.040 . 4.440 3.217 2.321 4.632 0.192 2 0 "[ . 1 . 2]" 1
1107 1 66 GLU HG2 1 67 GLY H 4.810 . 5.290 3.662 2.434 5.180 . 0 0 "[ . 1 . 2]" 1
1108 1 66 GLU HG3 1 67 GLY H 4.810 . 5.290 3.725 2.475 5.238 . 0 0 "[ . 1 . 2]" 1
1109 1 67 GLY H 1 68 GLY H 4.410 . 4.850 3.952 3.609 4.261 . 0 0 "[ . 1 . 2]" 1
1110 1 67 GLY H 1 76 PHE QE 4.140 . 4.550 3.288 2.856 3.761 . 0 0 "[ . 1 . 2]" 1
1111 1 67 GLY H 1 76 PHE HZ 3.550 . 3.900 2.554 1.924 3.209 . 0 0 "[ . 1 . 2]" 1
1112 1 67 GLY QA 1 68 GLY H 2.880 . 3.170 2.177 2.132 2.232 . 0 0 "[ . 1 . 2]" 1
1113 1 67 GLY QA 1 76 PHE HZ 4.250 . 4.680 3.673 3.264 4.536 . 0 0 "[ . 1 . 2]" 1
1114 1 67 GLY QA 1 79 ARG H 4.040 . 4.440 2.221 1.826 3.175 . 0 0 "[ . 1 . 2]" 1
1115 1 67 GLY HA2 1 68 GLY H 3.320 . 3.650 3.287 2.966 3.439 . 0 0 "[ . 1 . 2]" 1
1116 1 67 GLY HA2 1 76 PHE HZ 4.940 . 5.430 4.659 4.262 5.523 0.093 16 0 "[ . 1 . 2]" 1
1117 1 67 GLY HA3 1 68 GLY H 3.320 . 3.650 2.211 2.161 2.294 . 0 0 "[ . 1 . 2]" 1
1118 1 67 GLY HA3 1 76 PHE HZ 4.940 . 5.430 3.848 3.382 4.822 . 0 0 "[ . 1 . 2]" 1
1119 1 68 GLY H 1 69 LEU H 4.370 . 4.810 4.271 4.135 4.384 . 0 0 "[ . 1 . 2]" 1
1120 1 68 GLY H 1 76 PHE QD 4.530 . 4.980 4.211 3.521 4.910 . 0 0 "[ . 1 . 2]" 1
1121 1 68 GLY H 1 76 PHE QE 4.170 . 4.590 3.600 2.935 4.284 . 0 0 "[ . 1 . 2]" 1
1122 1 68 GLY H 1 77 LYS H 4.000 . 4.400 3.541 3.091 3.844 . 0 0 "[ . 1 . 2]" 1
1123 1 68 GLY H 1 77 LYS QB 4.000 . 4.400 3.397 2.823 4.484 0.084 10 0 "[ . 1 . 2]" 1
1124 1 68 GLY H 1 79 ARG H 4.970 . 5.470 4.246 3.654 5.264 . 0 0 "[ . 1 . 2]" 1
1125 1 68 GLY HA2 1 69 LEU H 3.100 . 3.410 2.244 2.094 2.387 . 0 0 "[ . 1 . 2]" 1
1126 1 68 GLY HA2 1 76 PHE QD 4.370 . 4.810 4.465 4.010 5.022 0.212 5 0 "[ . 1 . 2]" 1
1127 1 68 GLY HA2 1 76 PHE QE 4.150 . 4.570 3.293 2.950 3.999 . 0 0 "[ . 1 . 2]" 1
1128 1 68 GLY HA2 1 76 PHE HZ 4.900 . 5.390 3.829 2.961 4.719 . 0 0 "[ . 1 . 2]" 1
1129 1 68 GLY HA3 1 69 LEU H 3.250 . 3.580 2.916 2.675 3.136 . 0 0 "[ . 1 . 2]" 1
1130 1 69 LEU H 1 69 LEU HB2 3.510 . 3.860 2.961 2.684 3.268 . 0 0 "[ . 1 . 2]" 1
1131 1 69 LEU H 1 69 LEU HB3 3.510 . 3.860 2.534 2.373 2.725 . 0 0 "[ . 1 . 2]" 1
1132 1 69 LEU H 1 69 LEU MD1 4.720 . 5.190 4.366 4.251 4.441 . 0 0 "[ . 1 . 2]" 1
1133 1 69 LEU H 1 69 LEU MD2 5.130 . 5.640 4.468 4.300 4.681 . 0 0 "[ . 1 . 2]" 1
1134 1 69 LEU H 1 69 LEU HG 4.400 . 4.840 4.472 4.380 4.545 . 0 0 "[ . 1 . 2]" 1
1135 1 69 LEU H 1 70 ALA H 4.690 . 5.160 4.355 4.043 4.520 . 0 0 "[ . 1 . 2]" 1
1136 1 69 LEU H 1 76 PHE HA 5.020 . 5.520 4.788 4.122 5.506 . 0 0 "[ . 1 . 2]" 1
1137 1 69 LEU H 1 76 PHE QD 4.560 . 5.020 3.916 3.179 4.668 . 0 0 "[ . 1 . 2]" 1
1138 1 69 LEU HA 1 69 LEU MD1 3.500 . 3.850 2.190 2.117 2.274 . 0 0 "[ . 1 . 2]" 1
1139 1 69 LEU HA 1 70 ALA H 2.860 . 3.150 2.174 2.119 2.264 . 0 0 "[ . 1 . 2]" 1
1140 1 69 LEU HA 1 76 PHE HA 3.720 . 4.090 2.651 2.043 3.262 . 0 0 "[ . 1 . 2]" 1
1141 1 69 LEU HA 1 76 PHE QD 4.390 . 4.830 3.836 3.372 4.445 . 0 0 "[ . 1 . 2]" 1
1142 1 69 LEU HA 1 77 LYS H 3.890 . 4.280 3.068 2.699 3.436 . 0 0 "[ . 1 . 2]" 1
1143 1 69 LEU QB 1 69 LEU HG 2.590 . 2.850 2.394 2.351 2.444 . 0 0 "[ . 1 . 2]" 1
1144 1 69 LEU QB 1 70 ALA H 3.680 . 4.050 3.787 3.510 3.999 . 0 0 "[ . 1 . 2]" 1
1145 1 69 LEU QB 1 76 PHE QD 3.430 . 3.770 2.018 1.740 2.677 0.060 17 0 "[ . 1 . 2]" 1
1146 1 69 LEU HB2 1 69 LEU MD2 3.450 . 3.790 2.459 2.392 2.557 . 0 0 "[ . 1 . 2]" 1
1147 1 69 LEU HB2 1 70 ALA H 4.190 . 4.610 4.266 3.977 4.551 . 0 0 "[ . 1 . 2]" 1
1148 1 69 LEU HB2 1 76 PHE QD 3.970 . 4.370 2.033 1.747 2.702 0.053 17 0 "[ . 1 . 2]" 1
1149 1 69 LEU HB3 1 69 LEU MD2 3.450 . 3.790 2.367 2.299 2.424 . 0 0 "[ . 1 . 2]" 1
1150 1 69 LEU HB3 1 70 ALA H 4.190 . 4.610 4.235 3.904 4.431 . 0 0 "[ . 1 . 2]" 1
1151 1 69 LEU HB3 1 76 PHE QD 3.970 . 4.370 3.457 3.059 4.352 . 0 0 "[ . 1 . 2]" 1
1152 1 69 LEU MD1 1 70 ALA H 3.660 . 4.030 2.431 1.828 3.233 . 0 0 "[ . 1 . 2]" 1
1153 1 69 LEU MD1 1 73 GLU H 4.580 . 5.040 4.288 3.666 4.859 . 0 0 "[ . 1 . 2]" 1
1154 1 69 LEU MD1 1 74 ASP H 4.500 . 4.950 4.409 3.884 4.763 . 0 0 "[ . 1 . 2]" 1
1155 1 69 LEU MD1 1 75 THR H 3.790 . 4.170 3.502 2.494 3.889 . 0 0 "[ . 1 . 2]" 1
1156 1 69 LEU MD1 1 76 PHE H 4.030 . 4.430 3.253 3.024 3.593 . 0 0 "[ . 1 . 2]" 1
1157 1 69 LEU MD1 1 76 PHE HA 3.900 . 4.290 2.339 1.979 2.655 . 0 0 "[ . 1 . 2]" 1
1158 1 69 LEU MD1 1 76 PHE HB2 4.630 . 5.090 2.937 2.491 3.184 . 0 0 "[ . 1 . 2]" 1
1159 1 69 LEU MD1 1 76 PHE HB3 5.030 . 5.530 4.182 3.850 4.416 . 0 0 "[ . 1 . 2]" 1
1160 1 69 LEU MD1 1 77 LYS H 4.240 . 4.660 3.804 3.477 4.178 . 0 0 "[ . 1 . 2]" 1
1161 1 69 LEU MD2 1 74 ASP HA 4.190 . 4.610 4.370 3.918 4.723 0.113 11 0 "[ . 1 . 2]" 1
1162 1 69 LEU MD2 1 76 PHE HA 4.010 . 4.410 4.210 3.582 4.568 0.158 2 0 "[ . 1 . 2]" 1
1163 1 69 LEU MD2 1 76 PHE HB2 5.030 . 5.530 3.724 2.960 4.546 . 0 0 "[ . 1 . 2]" 1
1164 1 69 LEU MD2 1 76 PHE HB3 5.500 . 6.050 5.255 4.542 6.024 . 0 0 "[ . 1 . 2]" 1
1165 1 69 LEU MD2 1 76 PHE QD 3.590 . 3.950 3.309 2.774 3.823 . 0 0 "[ . 1 . 2]" 1
1166 1 69 LEU HG 1 70 ALA H 4.160 . 4.580 3.271 2.658 3.817 . 0 0 "[ . 1 . 2]" 1
1167 1 69 LEU HG 1 76 PHE HA 4.910 . 5.400 4.750 4.519 4.928 . 0 0 "[ . 1 . 2]" 1
1168 1 70 ALA H 1 70 ALA MB 3.050 . 3.360 2.313 2.266 2.470 . 0 0 "[ . 1 . 2]" 1
1169 1 70 ALA H 1 71 PRO QD 4.910 . 5.400 4.439 4.327 4.511 . 0 0 "[ . 1 . 2]" 1
1170 1 70 ALA H 1 73 GLU HB2 4.490 . 4.940 3.665 2.859 5.022 0.082 7 0 "[ . 1 . 2]" 1
1171 1 70 ALA H 1 73 GLU QB 3.920 . 4.310 3.000 2.145 4.299 . 0 0 "[ . 1 . 2]" 1
1172 1 70 ALA H 1 73 GLU HB3 4.490 . 4.940 3.723 2.167 4.745 . 0 0 "[ . 1 . 2]" 1
1173 1 70 ALA H 1 73 GLU QG 4.900 . 5.390 4.174 2.233 5.336 . 0 0 "[ . 1 . 2]" 1
1174 1 70 ALA H 1 76 PHE HA 4.550 . 5.010 4.267 3.516 4.838 . 0 0 "[ . 1 . 2]" 1
1175 1 70 ALA H 1 77 LYS H 4.550 . 5.010 4.384 3.688 5.077 0.067 6 0 "[ . 1 . 2]" 1
1176 1 70 ALA HA 1 71 PRO HD2 3.400 . 3.740 2.568 2.168 3.046 . 0 0 "[ . 1 . 2]" 1
1177 1 70 ALA HA 1 71 PRO HD3 3.400 . 3.740 2.230 1.946 2.591 . 0 0 "[ . 1 . 2]" 1
1178 1 70 ALA MB 1 71 PRO HD2 3.890 . 4.280 2.819 2.428 3.259 . 0 0 "[ . 1 . 2]" 1
1179 1 70 ALA MB 1 71 PRO QD 3.350 . 3.690 2.701 2.359 3.037 . 0 0 "[ . 1 . 2]" 1
1180 1 70 ALA MB 1 71 PRO HD3 3.890 . 4.280 3.557 3.033 3.924 . 0 0 "[ . 1 . 2]" 1
1181 1 70 ALA MB 1 73 GLU H 4.230 . 4.650 3.135 2.368 4.562 . 0 0 "[ . 1 . 2]" 1
1182 1 70 ALA MB 1 73 GLU HB2 4.020 . 4.420 2.411 1.728 4.415 0.072 18 0 "[ . 1 . 2]" 1
1183 1 70 ALA MB 1 73 GLU HB3 4.020 . 4.420 3.062 1.812 4.471 0.051 14 0 "[ . 1 . 2]" 1
1184 1 70 ALA MB 1 73 GLU QG 3.950 . 4.350 3.083 1.842 3.818 . 0 0 "[ . 1 . 2]" 1
1185 1 71 PRO HA 1 72 GLY H 3.550 . 3.900 2.812 2.171 3.578 . 0 0 "[ . 1 . 2]" 1
1186 1 71 PRO HA 1 73 GLU H 4.590 . 5.050 4.057 3.519 4.874 . 0 0 "[ . 1 . 2]" 1
1187 1 71 PRO QB 1 72 GLY H 3.680 . 4.050 3.457 2.534 3.972 . 0 0 "[ . 1 . 2]" 1
1188 1 71 PRO HB2 1 72 GLY H 4.500 . 4.950 3.781 2.566 4.383 . 0 0 "[ . 1 . 2]" 1
1189 1 71 PRO HB3 1 72 GLY H 4.500 . 4.950 4.199 3.830 4.597 . 0 0 "[ . 1 . 2]" 1
1190 1 72 GLY H 1 73 GLU H 3.420 . 3.760 2.493 2.157 3.161 . 0 0 "[ . 1 . 2]" 1
1191 1 72 GLY H 1 73 GLU QB 4.420 . 4.860 4.268 3.475 4.777 . 0 0 "[ . 1 . 2]" 1
1192 1 73 GLU H 1 73 GLU HB2 3.990 . 4.390 2.749 2.341 4.127 . 0 0 "[ . 1 . 2]" 1
1193 1 73 GLU H 1 73 GLU QB 3.190 . 3.510 2.480 2.232 3.330 . 0 0 "[ . 1 . 2]" 1
1194 1 73 GLU H 1 73 GLU HB3 3.990 . 4.390 3.189 2.419 3.793 . 0 0 "[ . 1 . 2]" 1
1195 1 73 GLU H 1 73 GLU QG 4.220 . 4.640 3.607 2.542 4.411 . 0 0 "[ . 1 . 2]" 1
1196 1 73 GLU H 1 74 ASP H 4.590 . 5.050 4.442 4.146 4.593 . 0 0 "[ . 1 . 2]" 1
1197 1 73 GLU HA 1 73 GLU QG 3.650 . 4.020 2.713 2.290 3.391 . 0 0 "[ . 1 . 2]" 1
1198 1 73 GLU HA 1 74 ASP H 2.970 . 3.270 2.204 2.132 2.385 . 0 0 "[ . 1 . 2]" 1
1199 1 73 GLU QB 1 74 ASP H 3.390 . 3.730 3.317 2.379 3.805 0.075 7 0 "[ . 1 . 2]" 1
1200 1 73 GLU QB 1 75 THR H 3.450 . 3.790 3.105 2.169 4.018 0.228 9 0 "[ . 1 . 2]" 1
1201 1 73 GLU QG 1 74 ASP H 3.840 . 4.220 3.479 2.189 4.360 0.140 19 0 "[ . 1 . 2]" 1
1202 1 73 GLU QG 1 75 THR H 4.000 . 4.400 3.180 1.670 4.559 0.159 16 0 "[ . 1 . 2]" 1
1203 1 74 ASP H 1 74 ASP HB2 3.680 . 4.050 2.796 2.456 3.744 . 0 0 "[ . 1 . 2]" 1
1204 1 74 ASP H 1 74 ASP HB3 3.680 . 4.050 3.247 2.422 3.744 . 0 0 "[ . 1 . 2]" 1
1205 1 74 ASP H 1 75 THR H 3.160 . 3.480 2.454 2.265 2.707 . 0 0 "[ . 1 . 2]" 1
1206 1 74 ASP HA 1 75 THR H 3.530 . 3.880 3.410 2.927 3.567 . 0 0 "[ . 1 . 2]" 1
1207 1 74 ASP HA 1 75 THR MG 4.730 . 5.200 5.046 4.657 5.356 0.156 5 0 "[ . 1 . 2]" 1
1208 1 74 ASP QB 1 75 THR H 3.950 . 4.350 3.199 2.598 4.080 . 0 0 "[ . 1 . 2]" 1
1209 1 74 ASP HB2 1 75 THR H 4.550 . 5.010 3.591 2.640 4.550 . 0 0 "[ . 1 . 2]" 1
1210 1 74 ASP HB3 1 75 THR H 4.550 . 5.010 3.920 2.742 4.612 . 0 0 "[ . 1 . 2]" 1
1211 1 75 THR H 1 75 THR HB 3.320 . 3.650 3.073 2.752 3.765 0.115 1 0 "[ . 1 . 2]" 1
1212 1 75 THR H 1 75 THR MG 3.780 . 4.160 2.246 2.021 2.969 . 0 0 "[ . 1 . 2]" 1
1213 1 75 THR H 1 76 PHE H 4.630 . 5.090 4.417 3.898 4.564 . 0 0 "[ . 1 . 2]" 1
1214 1 75 THR HA 1 76 PHE H 3.140 . 3.450 2.148 2.081 2.226 . 0 0 "[ . 1 . 2]" 1
1215 1 75 THR HB 1 76 PHE H 4.830 . 5.310 4.072 3.053 4.349 . 0 0 "[ . 1 . 2]" 1
1216 1 75 THR MG 1 76 PHE H 4.150 . 4.570 4.010 3.780 4.207 . 0 0 "[ . 1 . 2]" 1
1217 1 76 PHE H 1 76 PHE HB2 3.590 . 3.950 2.591 2.493 2.760 . 0 0 "[ . 1 . 2]" 1
1218 1 76 PHE H 1 76 PHE HB3 3.520 . 3.870 2.479 2.328 2.573 . 0 0 "[ . 1 . 2]" 1
1219 1 76 PHE H 1 76 PHE QD 4.320 . 4.750 4.222 4.153 4.255 . 0 0 "[ . 1 . 2]" 1
1220 1 76 PHE H 1 77 LYS H 4.870 . 5.360 4.446 4.326 4.582 . 0 0 "[ . 1 . 2]" 1
1221 1 76 PHE HA 1 76 PHE QD 3.850 . 4.230 3.047 2.758 3.230 . 0 0 "[ . 1 . 2]" 1
1222 1 76 PHE HA 1 77 LYS H 3.000 . 3.300 2.188 2.136 2.276 . 0 0 "[ . 1 . 2]" 1
1223 1 76 PHE HB2 1 77 LYS H 4.460 . 4.910 4.385 4.223 4.500 . 0 0 "[ . 1 . 2]" 1
1224 1 76 PHE HB3 1 77 LYS H 4.810 . 5.290 4.296 4.158 4.379 . 0 0 "[ . 1 . 2]" 1
1225 1 76 PHE QD 1 77 LYS H 4.270 . 4.700 3.755 3.401 3.997 . 0 0 "[ . 1 . 2]" 1
1226 1 76 PHE QD 1 78 ALA H 4.390 . 4.830 3.445 3.054 3.881 . 0 0 "[ . 1 . 2]" 1
1227 1 76 PHE QD 1 78 ALA HA 3.780 . 4.160 3.367 2.891 3.965 . 0 0 "[ . 1 . 2]" 1
1228 1 76 PHE QD 1 78 ALA MB 3.480 . 3.830 2.547 2.145 2.987 . 0 0 "[ . 1 . 2]" 1
1229 1 76 PHE QE 1 78 ALA H 5.200 . 5.720 4.535 4.149 5.116 . 0 0 "[ . 1 . 2]" 1
1230 1 76 PHE QE 1 78 ALA HA 3.780 . 4.160 2.601 2.153 3.497 . 0 0 "[ . 1 . 2]" 1
1231 1 76 PHE QE 1 78 ALA MB 4.110 . 4.520 2.886 2.050 3.454 . 0 0 "[ . 1 . 2]" 1
1232 1 76 PHE QE 1 79 ARG H 4.760 . 5.240 4.226 3.743 5.156 . 0 0 "[ . 1 . 2]" 1
1233 1 77 LYS H 1 77 LYS QB 3.180 . 3.500 2.447 2.217 2.894 . 0 0 "[ . 1 . 2]" 1
1234 1 77 LYS H 1 77 LYS QD 4.710 . 5.180 3.962 1.706 4.830 0.094 10 0 "[ . 1 . 2]" 1
1235 1 77 LYS H 1 77 LYS HG2 4.640 . 5.100 3.851 1.892 4.668 . 0 0 "[ . 1 . 2]" 1
1236 1 77 LYS H 1 77 LYS HG3 4.640 . 5.100 3.346 1.957 4.679 . 0 0 "[ . 1 . 2]" 1
1237 1 77 LYS H 1 78 ALA H 4.870 . 5.360 4.211 4.108 4.384 . 0 0 "[ . 1 . 2]" 1
1238 1 77 LYS HA 1 77 LYS QD 4.320 . 4.750 4.059 2.178 4.528 . 0 0 "[ . 1 . 2]" 1
1239 1 77 LYS HA 1 78 ALA H 2.910 . 3.200 2.204 2.119 2.289 . 0 0 "[ . 1 . 2]" 1
1240 1 77 LYS QB 1 78 ALA H 3.810 . 4.190 3.778 3.350 4.058 . 0 0 "[ . 1 . 2]" 1
1241 1 77 LYS QE 1 77 LYS QG 3.220 . 3.540 2.457 2.193 2.843 . 0 0 "[ . 1 . 2]" 1
1242 1 77 LYS QG 1 78 ALA H 4.250 . 4.680 4.147 3.344 4.600 . 0 0 "[ . 1 . 2]" 1
1243 1 78 ALA H 1 78 ALA MB 3.210 . 3.530 2.299 2.251 2.366 . 0 0 "[ . 1 . 2]" 1
1244 1 78 ALA H 1 79 ARG H 5.030 . 5.530 4.352 4.144 4.556 . 0 0 "[ . 1 . 2]" 1
1245 1 78 ALA HA 1 79 ARG H 3.150 . 3.470 2.163 2.094 2.333 . 0 0 "[ . 1 . 2]" 1
1246 1 78 ALA HA 1 80 THR H 3.780 . 4.160 3.508 3.261 3.969 . 0 0 "[ . 1 . 2]" 1
1247 1 78 ALA MB 1 79 ARG H 3.880 . 4.270 3.298 2.345 3.537 . 0 0 "[ . 1 . 2]" 1
1248 1 78 ALA MB 1 80 THR H 3.910 . 4.300 3.092 2.753 3.466 . 0 0 "[ . 1 . 2]" 1
1249 1 78 ALA MB 1 81 LEU MD1 4.020 . 4.420 3.621 3.263 4.079 . 0 0 "[ . 1 . 2]" 1
1250 1 79 ARG H 1 79 ARG QB 3.450 . 3.790 2.417 2.153 2.799 . 0 0 "[ . 1 . 2]" 1
1251 1 79 ARG H 1 79 ARG HG2 4.950 . 5.440 3.673 2.089 4.690 . 0 0 "[ . 1 . 2]" 1
1252 1 79 ARG H 1 79 ARG QG 4.100 . 4.510 3.234 1.856 4.110 . 0 0 "[ . 1 . 2]" 1
1253 1 79 ARG H 1 79 ARG HG3 4.950 . 5.440 3.900 1.864 4.736 . 0 0 "[ . 1 . 2]" 1
1254 1 79 ARG H 1 80 THR H 3.110 . 3.420 2.449 1.785 2.690 0.015 19 0 "[ . 1 . 2]" 1
1255 1 79 ARG HA 1 79 ARG HG2 4.250 . 4.680 3.680 3.142 4.281 . 0 0 "[ . 1 . 2]" 1
1256 1 79 ARG HA 1 79 ARG HG3 4.250 . 4.680 3.306 2.541 4.302 . 0 0 "[ . 1 . 2]" 1
1257 1 79 ARG QB 1 79 ARG HE 4.220 . 4.640 2.816 1.934 4.281 . 0 0 "[ . 1 . 2]" 1
1258 1 79 ARG QB 1 80 THR H 4.120 . 4.530 3.117 2.546 3.874 . 0 0 "[ . 1 . 2]" 1
1259 1 79 ARG QB 1 80 THR MG 4.680 . 5.150 3.692 2.627 5.258 0.108 13 0 "[ . 1 . 2]" 1
1260 1 79 ARG QD 1 80 THR MG 4.390 . 4.830 3.882 2.110 5.089 0.259 15 0 "[ . 1 . 2]" 1
1261 1 79 ARG HE 1 80 THR MG 4.820 . 5.300 4.129 2.581 5.414 0.114 8 0 "[ . 1 . 2]" 1
1262 1 79 ARG QG 1 80 THR H 4.120 . 4.530 3.244 2.187 3.996 . 0 0 "[ . 1 . 2]" 1
1263 1 79 ARG HG2 1 80 THR H 4.740 . 5.210 3.766 2.226 4.930 . 0 0 "[ . 1 . 2]" 1
1264 1 79 ARG HG2 1 80 THR MG 4.650 . 5.120 3.585 1.931 5.210 0.090 13 0 "[ . 1 . 2]" 1
1265 1 79 ARG HG3 1 80 THR H 4.740 . 5.210 3.865 2.401 4.968 . 0 0 "[ . 1 . 2]" 1
1266 1 79 ARG HG3 1 80 THR MG 4.650 . 5.120 3.523 1.973 5.298 0.178 11 0 "[ . 1 . 2]" 1
1267 1 80 THR H 1 80 THR HB 4.170 . 4.590 3.624 2.814 3.914 . 0 0 "[ . 1 . 2]" 1
1268 1 80 THR H 1 80 THR MG 3.870 . 4.260 3.418 3.052 4.016 . 0 0 "[ . 1 . 2]" 1
1269 1 80 THR HA 1 81 LEU H 2.930 . 3.220 2.265 2.157 2.409 . 0 0 "[ . 1 . 2]" 1
1270 1 80 THR HB 1 81 LEU H 3.530 . 3.880 3.022 2.342 3.966 0.086 20 0 "[ . 1 . 2]" 1
1271 1 80 THR MG 1 81 LEU H 3.780 . 4.160 3.391 2.286 3.978 . 0 0 "[ . 1 . 2]" 1
1272 1 81 LEU H 1 81 LEU HB2 3.940 . 4.330 3.176 2.936 3.423 . 0 0 "[ . 1 . 2]" 1
1273 1 81 LEU H 1 81 LEU QB 3.370 . 3.710 2.567 2.366 2.771 . 0 0 "[ . 1 . 2]" 1
1274 1 81 LEU H 1 81 LEU HB3 3.940 . 4.330 2.712 2.495 2.928 . 0 0 "[ . 1 . 2]" 1
1275 1 81 LEU H 1 81 LEU MD1 4.350 . 4.790 4.497 4.373 4.823 0.033 16 0 "[ . 1 . 2]" 1
1276 1 81 LEU H 1 81 LEU MD2 4.820 . 5.300 4.545 4.213 4.790 . 0 0 "[ . 1 . 2]" 1
1277 1 81 LEU H 1 81 LEU HG 5.160 . 5.680 4.548 4.445 4.784 . 0 0 "[ . 1 . 2]" 1
1278 1 81 LEU H 1 82 MET H 4.650 . 5.120 4.170 3.885 4.426 . 0 0 "[ . 1 . 2]" 1
1279 1 81 LEU HA 1 81 LEU MD1 4.220 . 4.640 2.363 2.145 3.641 . 0 0 "[ . 1 . 2]" 1
1280 1 81 LEU HA 1 81 LEU HG 4.180 . 4.600 3.086 2.590 3.236 . 0 0 "[ . 1 . 2]" 1
1281 1 81 LEU HA 1 82 MET H 3.070 . 3.380 2.178 2.120 2.266 . 0 0 "[ . 1 . 2]" 1
1282 1 81 LEU MD1 1 82 MET H 3.960 . 4.360 2.935 2.093 4.337 . 0 0 "[ . 1 . 2]" 1
1283 1 81 LEU MD2 1 82 MET H 4.460 . 4.910 4.540 2.931 4.967 0.057 5 0 "[ . 1 . 2]" 1
1284 1 81 LEU MD2 1 82 MET HA 4.680 . 5.150 4.946 3.029 5.348 0.198 5 0 "[ . 1 . 2]" 1
1285 1 81 LEU MD2 1 83 THR H 5.380 . 5.920 5.164 2.905 6.142 0.222 20 0 "[ . 1 . 2]" 1
1286 1 81 LEU MD2 1 83 THR MG 4.150 . 4.570 3.500 2.130 4.335 . 0 0 "[ . 1 . 2]" 1
1287 1 81 LEU HG 1 82 MET H 3.600 . 3.960 3.235 2.712 3.644 . 0 0 "[ . 1 . 2]" 1
1288 1 82 MET H 1 82 MET HB2 4.060 . 4.470 3.222 2.694 3.913 . 0 0 "[ . 1 . 2]" 1
1289 1 82 MET H 1 82 MET QB 3.530 . 3.880 2.621 2.340 3.073 . 0 0 "[ . 1 . 2]" 1
1290 1 82 MET H 1 82 MET HB3 4.060 . 4.470 2.817 2.445 3.816 . 0 0 "[ . 1 . 2]" 1
1291 1 82 MET H 1 82 MET HG2 4.900 . 5.390 4.285 2.442 4.562 . 0 0 "[ . 1 . 2]" 1
1292 1 82 MET H 1 82 MET QG 4.270 . 4.700 3.903 2.390 4.188 . 0 0 "[ . 1 . 2]" 1
1293 1 82 MET H 1 82 MET HG3 4.900 . 5.390 4.575 3.012 4.878 . 0 0 "[ . 1 . 2]" 1
1294 1 82 MET HA 1 83 THR H 2.870 . 3.160 2.230 2.099 2.478 . 0 0 "[ . 1 . 2]" 1
1295 1 82 MET HA 1 83 THR MG 4.350 . 4.790 3.845 3.561 4.174 . 0 0 "[ . 1 . 2]" 1
1296 1 82 MET QB 1 83 THR H 3.700 . 4.070 3.674 2.397 4.033 . 0 0 "[ . 1 . 2]" 1
1297 1 82 MET HB2 1 83 THR H 4.380 . 4.820 4.174 2.898 4.565 . 0 0 "[ . 1 . 2]" 1
1298 1 82 MET HB3 1 83 THR H 4.380 . 4.820 4.167 2.434 4.491 . 0 0 "[ . 1 . 2]" 1
1299 1 82 MET QG 1 83 THR H 4.090 . 4.500 3.161 2.139 3.948 . 0 0 "[ . 1 . 2]" 1
1300 1 82 MET HG2 1 83 THR H 4.650 . 5.120 3.518 2.246 5.051 . 0 0 "[ . 1 . 2]" 1
1301 1 82 MET HG3 1 83 THR H 4.650 . 5.120 3.666 2.687 4.823 . 0 0 "[ . 1 . 2]" 1
1302 1 83 THR H 1 83 THR MG 3.480 . 3.830 2.484 2.139 3.095 . 0 0 "[ . 1 . 2]" 1
1303 1 83 THR H 1 84 LYS H 4.610 . 5.070 4.570 4.432 4.643 . 0 0 "[ . 1 . 2]" 1
1304 1 83 THR HA 1 84 LYS H 3.050 . 3.360 2.267 2.159 2.404 . 0 0 "[ . 1 . 2]" 1
1305 1 83 THR HB 1 84 LYS H 3.480 . 3.830 2.986 2.412 3.436 . 0 0 "[ . 1 . 2]" 1
1306 1 83 THR HB 1 85 CYS HA 5.500 . 6.050 5.281 4.775 5.917 . 0 0 "[ . 1 . 2]" 1
1307 1 83 THR MG 1 84 LYS H 4.580 . 5.040 3.902 3.656 4.052 . 0 0 "[ . 1 . 2]" 1
1308 1 83 THR MG 1 85 CYS H 4.960 . 5.460 4.544 3.907 5.313 . 0 0 "[ . 1 . 2]" 1
1309 1 84 LYS H 1 84 LYS HB2 3.670 . 4.040 2.539 2.272 2.771 . 0 0 "[ . 1 . 2]" 1
1310 1 84 LYS H 1 84 LYS QB 3.200 . 3.520 2.330 2.168 2.511 . 0 0 "[ . 1 . 2]" 1
1311 1 84 LYS H 1 84 LYS HB3 3.670 . 4.040 3.037 2.313 3.699 . 0 0 "[ . 1 . 2]" 1
1312 1 84 LYS H 1 84 LYS HG2 4.900 . 5.390 3.954 2.562 4.720 . 0 0 "[ . 1 . 2]" 1
1313 1 84 LYS H 1 84 LYS QG 4.180 . 4.600 3.296 2.223 4.092 . 0 0 "[ . 1 . 2]" 1
1314 1 84 LYS H 1 84 LYS HG3 4.900 . 5.390 3.721 2.257 4.612 . 0 0 "[ . 1 . 2]" 1
1315 1 84 LYS HA 1 84 LYS QD 3.810 . 4.190 3.442 2.077 4.333 0.143 16 0 "[ . 1 . 2]" 1
1316 1 84 LYS HA 1 84 LYS QG 3.590 . 3.950 2.661 2.370 3.108 . 0 0 "[ . 1 . 2]" 1
1317 1 84 LYS QB 1 84 LYS QE 4.250 . 4.680 3.187 1.998 3.902 . 0 0 "[ . 1 . 2]" 1
1318 1 84 LYS QB 1 85 CYS H 3.570 . 3.930 2.719 2.063 3.593 . 0 0 "[ . 1 . 2]" 1
1319 1 84 LYS HB2 1 85 CYS H 4.140 . 4.550 3.416 2.454 4.243 . 0 0 "[ . 1 . 2]" 1
1320 1 84 LYS HB3 1 85 CYS H 4.140 . 4.550 3.228 2.077 4.415 . 0 0 "[ . 1 . 2]" 1
1321 1 84 LYS QG 1 85 CYS H 4.320 . 4.750 4.002 3.163 4.811 0.061 13 0 "[ . 1 . 2]" 1
1322 1 85 CYS H 1 85 CYS HB2 3.720 . 4.090 2.819 2.398 3.721 . 0 0 "[ . 1 . 2]" 1
1323 1 85 CYS H 1 85 CYS QB 3.130 . 3.440 2.455 2.266 2.958 . 0 0 "[ . 1 . 2]" 1
1324 1 85 CYS H 1 85 CYS HB3 3.720 . 4.090 2.968 2.403 3.711 . 0 0 "[ . 1 . 2]" 1
1325 1 85 CYS H 1 86 PRO HD2 5.500 . 6.050 5.105 4.719 5.437 . 0 0 "[ . 1 . 2]" 1
1326 1 85 CYS H 1 86 PRO HD3 5.500 . 6.050 4.420 3.828 5.009 . 0 0 "[ . 1 . 2]" 1
1327 1 85 CYS HA 1 86 PRO HD2 3.420 . 3.760 2.463 2.018 2.845 . 0 0 "[ . 1 . 2]" 1
1328 1 85 CYS HA 1 86 PRO HD3 3.420 . 3.760 2.287 1.944 2.730 . 0 0 "[ . 1 . 2]" 1
1329 1 85 CYS QB 1 86 PRO QD 4.050 . 4.460 3.556 3.151 3.908 . 0 0 "[ . 1 . 2]" 1
1330 1 86 PRO HA 1 87 LEU H 2.830 . 3.110 2.471 2.152 3.502 0.392 15 0 "[ . 1 . 2]" 1
1331 1 86 PRO QB 1 87 LEU H 3.600 . 3.960 2.789 1.815 3.914 . 0 0 "[ . 1 . 2]" 1
1332 1 86 PRO HB2 1 87 LEU H 4.150 . 4.570 3.012 1.822 4.378 . 0 0 "[ . 1 . 2]" 1
1333 1 86 PRO HB3 1 87 LEU H 4.150 . 4.570 3.616 2.845 4.424 . 0 0 "[ . 1 . 2]" 1
1334 1 86 PRO HD2 1 87 LEU H 5.500 . 6.050 5.160 2.793 5.702 . 0 0 "[ . 1 . 2]" 1
1335 1 86 PRO HD3 1 87 LEU H 5.500 . 6.050 5.520 4.277 5.877 . 0 0 "[ . 1 . 2]" 1
1336 1 86 PRO QG 1 87 LEU H 4.440 . 4.880 4.273 3.381 4.976 0.096 6 0 "[ . 1 . 2]" 1
1337 1 87 LEU H 1 87 LEU HB2 3.740 . 4.110 2.680 2.319 3.912 . 0 0 "[ . 1 . 2]" 1
1338 1 87 LEU H 1 87 LEU QB 2.900 . 3.190 2.416 2.186 3.059 . 0 0 "[ . 1 . 2]" 1
1339 1 87 LEU H 1 87 LEU HB3 3.740 . 4.110 3.062 2.483 3.868 . 0 0 "[ . 1 . 2]" 1
1340 1 87 LEU H 1 87 LEU MD1 4.710 . 5.180 3.889 2.053 4.498 . 0 0 "[ . 1 . 2]" 1
1341 1 87 LEU H 1 87 LEU QD 4.080 . 4.490 3.249 1.847 4.163 . 0 0 "[ . 1 . 2]" 1
1342 1 87 LEU H 1 87 LEU MD2 4.710 . 5.180 3.789 1.849 4.909 . 0 0 "[ . 1 . 2]" 1
1343 1 87 LEU H 1 87 LEU HG 5.080 . 5.590 3.872 2.374 4.753 . 0 0 "[ . 1 . 2]" 1
1344 1 87 LEU HA 1 87 LEU MD1 4.010 . 4.410 3.033 2.046 4.173 . 0 0 "[ . 1 . 2]" 1
1345 1 87 LEU HA 1 87 LEU QD 3.310 . 3.640 2.385 2.026 3.454 . 0 0 "[ . 1 . 2]" 1
1346 1 87 LEU HA 1 87 LEU MD2 4.010 . 4.410 3.303 2.033 4.004 . 0 0 "[ . 1 . 2]" 1
1347 1 87 LEU HA 1 87 LEU HG 4.020 . 4.420 3.130 2.519 3.856 . 0 0 "[ . 1 . 2]" 1
1348 1 87 LEU HA 1 88 GLU H 2.810 . 3.090 2.251 2.109 2.874 . 0 0 "[ . 1 . 2]" 1
1349 1 87 LEU QB 1 88 GLU H 3.820 . 4.200 3.590 2.080 4.028 . 0 0 "[ . 1 . 2]" 1
1350 1 87 LEU QD 1 88 GLU H 4.550 . 5.010 3.420 2.254 4.437 . 0 0 "[ . 1 . 2]" 1
1351 1 87 LEU MD1 1 88 GLU H 5.270 . 5.800 4.132 2.260 5.538 . 0 0 "[ . 1 . 2]" 1
1352 1 87 LEU MD2 1 88 GLU H 5.270 . 5.800 4.427 2.850 5.609 . 0 0 "[ . 1 . 2]" 1
1353 1 87 LEU HG 1 88 GLU H 5.120 . 5.630 4.210 2.052 5.333 . 0 0 "[ . 1 . 2]" 1
1354 1 88 GLU H 1 88 GLU QB 3.130 . 3.440 2.706 2.281 3.409 . 0 0 "[ . 1 . 2]" 1
1355 1 88 GLU H 1 88 GLU HG2 5.500 . 6.050 3.515 1.945 4.960 . 0 0 "[ . 1 . 2]" 1
1356 1 88 GLU H 1 88 GLU QG 4.720 . 5.190 3.001 1.912 4.272 . 0 0 "[ . 1 . 2]" 1
1357 1 88 GLU H 1 88 GLU HG3 5.500 . 6.050 3.578 2.104 4.932 . 0 0 "[ . 1 . 2]" 1
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