NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
471884 |
2xa6   |
16969 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2xa6
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 1960
_Distance_constraint_stats_list.Viol_count 3589
_Distance_constraint_stats_list.Viol_total 3576.709
_Distance_constraint_stats_list.Viol_max 0.810
_Distance_constraint_stats_list.Viol_rms 0.0218
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0046
_Distance_constraint_stats_list.Viol_average_violations_only 0.0498
_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 5 PRO 3.571 0.201 9 0 "[ . 1 . 2]"
1 6 GLU 5.334 0.277 17 0 "[ . 1 . 2]"
1 7 ASN 4.081 0.246 7 0 "[ . 1 . 2]"
1 8 LYS 3.280 0.246 7 0 "[ . 1 . 2]"
1 9 TYR 5.538 0.260 16 0 "[ . 1 . 2]"
1 10 LEU 8.360 0.747 17 1 "[ . 1 . + 2]"
1 11 PRO 6.073 0.774 1 1 "[+ . 1 . 2]"
1 12 GLU 8.586 0.774 1 1 "[+ . 1 . 2]"
1 13 LEU 7.266 0.163 13 0 "[ . 1 . 2]"
1 14 MET 5.356 0.809 17 1 "[ . 1 . + 2]"
1 15 ALA 1.600 0.463 17 0 "[ . 1 . 2]"
1 16 GLU 1.092 0.061 6 0 "[ . 1 . 2]"
1 17 LYS 5.697 0.809 17 1 "[ . 1 . + 2]"
1 18 ASP 1.523 0.099 14 0 "[ . 1 . 2]"
1 19 SER 2.661 0.097 8 0 "[ . 1 . 2]"
1 20 LEU 12.684 0.306 11 0 "[ . 1 . 2]"
1 21 ASP 0.156 0.048 12 0 "[ . 1 . 2]"
1 22 PRO 0.925 0.073 11 0 "[ . 1 . 2]"
1 23 SER 1.068 0.075 12 0 "[ . 1 . 2]"
1 24 PHE 6.172 0.118 10 0 "[ . 1 . 2]"
1 25 THR 3.590 0.107 20 0 "[ . 1 . 2]"
1 26 HIS 4.869 0.107 20 0 "[ . 1 . 2]"
1 27 ALA 5.273 0.130 11 0 "[ . 1 . 2]"
1 28 MET 11.726 0.307 11 0 "[ . 1 . 2]"
1 29 GLN 3.425 0.216 19 0 "[ . 1 . 2]"
1 30 LEU 2.862 0.216 19 0 "[ . 1 . 2]"
1 31 LEU 9.750 0.116 11 0 "[ . 1 . 2]"
1 32 THR 1.820 0.132 13 0 "[ . 1 . 2]"
1 33 ALA 2.768 0.132 13 0 "[ . 1 . 2]"
1 34 GLU 4.053 0.120 4 0 "[ . 1 . 2]"
1 35 ILE 8.089 0.722 17 1 "[ . 1 . + 2]"
1 36 GLU 0.635 0.068 1 0 "[ . 1 . 2]"
1 37 LYS 1.643 0.167 11 0 "[ . 1 . 2]"
1 38 ILE 7.211 0.167 17 0 "[ . 1 . 2]"
1 39 GLN 3.114 0.098 11 0 "[ . 1 . 2]"
1 40 LYS 4.662 0.234 10 0 "[ . 1 . 2]"
1 41 GLY 2.312 0.234 10 0 "[ . 1 . 2]"
2 5 PRO 3.581 0.187 9 0 "[ . 1 . 2]"
2 6 GLU 5.304 0.278 17 0 "[ . 1 . 2]"
2 7 ASN 4.093 0.242 7 0 "[ . 1 . 2]"
2 8 LYS 3.249 0.242 7 0 "[ . 1 . 2]"
2 9 TYR 5.554 0.269 16 0 "[ . 1 . 2]"
2 10 LEU 8.385 0.746 17 1 "[ . 1 . + 2]"
2 11 PRO 6.051 0.771 1 1 "[+ . 1 . 2]"
2 12 GLU 8.617 0.771 1 1 "[+ . 1 . 2]"
2 13 LEU 7.283 0.169 13 0 "[ . 1 . 2]"
2 14 MET 5.294 0.810 17 1 "[ . 1 . + 2]"
2 15 ALA 1.558 0.463 17 0 "[ . 1 . 2]"
2 16 GLU 1.001 0.062 3 0 "[ . 1 . 2]"
2 17 LYS 5.627 0.810 17 1 "[ . 1 . + 2]"
2 18 ASP 1.477 0.100 14 0 "[ . 1 . 2]"
2 19 SER 2.623 0.104 8 0 "[ . 1 . 2]"
2 20 LEU 12.731 0.307 11 0 "[ . 1 . 2]"
2 21 ASP 0.166 0.053 12 0 "[ . 1 . 2]"
2 22 PRO 1.012 0.077 11 0 "[ . 1 . 2]"
2 23 SER 1.158 0.083 12 0 "[ . 1 . 2]"
2 24 PHE 6.451 0.112 20 0 "[ . 1 . 2]"
2 25 THR 3.576 0.106 20 0 "[ . 1 . 2]"
2 26 HIS 4.814 0.106 20 0 "[ . 1 . 2]"
2 27 ALA 5.423 0.126 11 0 "[ . 1 . 2]"
2 28 MET 11.654 0.306 11 0 "[ . 1 . 2]"
2 29 GLN 3.342 0.219 19 0 "[ . 1 . 2]"
2 30 LEU 2.837 0.219 19 0 "[ . 1 . 2]"
2 31 LEU 9.641 0.105 17 0 "[ . 1 . 2]"
2 32 THR 1.830 0.131 13 0 "[ . 1 . 2]"
2 33 ALA 2.760 0.131 13 0 "[ . 1 . 2]"
2 34 GLU 4.125 0.117 12 0 "[ . 1 . 2]"
2 35 ILE 8.182 0.719 17 1 "[ . 1 . + 2]"
2 36 GLU 0.598 0.069 20 0 "[ . 1 . 2]"
2 37 LYS 1.626 0.163 11 0 "[ . 1 . 2]"
2 38 ILE 7.286 0.160 16 0 "[ . 1 . 2]"
2 39 GLN 3.121 0.101 11 0 "[ . 1 . 2]"
2 40 LYS 4.663 0.229 10 0 "[ . 1 . 2]"
2 41 GLY 2.349 0.229 10 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 5 PRO HA 1 6 GLU H 2.460 . 3.120 2.175 2.091 2.537 . 0 0 "[ . 1 . 2]" 1
2 1 5 PRO HA 1 6 GLU HA 3.220 . 4.640 4.268 3.992 4.390 . 0 0 "[ . 1 . 2]" 1
3 1 5 PRO HA 1 7 ASN H 3.590 . 5.380 4.054 3.649 4.851 . 0 0 "[ . 1 . 2]" 1
4 1 5 PRO QB 1 6 GLU H 2.875 . 3.950 3.126 2.303 3.464 . 0 0 "[ . 1 . 2]" 1
5 1 5 PRO QD 1 8 LYS QD 3.260 . 4.720 3.783 2.515 4.800 0.080 12 0 "[ . 1 . 2]" 1
6 1 5 PRO HD2 1 6 GLU H 3.650 . 5.500 5.503 5.175 5.602 0.102 8 0 "[ . 1 . 2]" 1
7 1 5 PRO HD3 1 6 GLU H 3.650 . 5.500 5.555 5.375 5.659 0.159 5 0 "[ . 1 . 2]" 1
8 1 5 PRO QG 1 7 ASN H 3.130 . 4.460 4.451 3.871 4.661 0.201 9 0 "[ . 1 . 2]" 1
9 1 5 PRO QG 1 7 ASN QB 3.650 . 5.500 4.378 3.570 5.335 . 0 0 "[ . 1 . 2]" 1
10 1 5 PRO QG 1 8 LYS QB 2.705 . 3.610 2.091 1.698 3.207 0.102 12 0 "[ . 1 . 2]" 1
11 1 5 PRO QG 1 8 LYS QD 2.710 . 3.620 2.687 1.840 3.694 0.074 9 0 "[ . 1 . 2]" 1
12 1 5 PRO QG 1 8 LYS QE 3.070 . 4.340 3.744 2.376 4.452 0.112 13 0 "[ . 1 . 2]" 1
13 1 6 GLU H 1 6 GLU HB2 2.940 . 4.080 2.612 2.318 3.577 . 0 0 "[ . 1 . 2]" 1
14 1 6 GLU H 1 6 GLU QB 2.635 . 3.470 2.409 2.157 2.881 . 0 0 "[ . 1 . 2]" 1
15 1 6 GLU H 1 6 GLU HB3 2.940 . 4.080 3.133 2.397 3.610 . 0 0 "[ . 1 . 2]" 1
16 1 6 GLU H 1 6 GLU QG 3.090 . 4.380 2.854 1.683 3.986 0.117 14 0 "[ . 1 . 2]" 1
17 1 6 GLU H 1 7 ASN H 3.060 . 4.320 2.688 2.582 2.795 . 0 0 "[ . 1 . 2]" 1
18 1 6 GLU H 1 7 ASN HA 3.515 . 5.230 5.261 5.186 5.324 0.094 12 0 "[ . 1 . 2]" 1
19 1 6 GLU HA 1 6 GLU HG2 2.845 . 3.890 3.068 2.365 4.103 0.213 14 0 "[ . 1 . 2]" 1
20 1 6 GLU HA 1 6 GLU QG 2.475 . 3.150 2.593 2.309 3.409 0.259 17 0 "[ . 1 . 2]" 1
21 1 6 GLU HA 1 6 GLU HG3 2.845 . 3.890 2.996 2.451 4.167 0.277 17 0 "[ . 1 . 2]" 1
22 1 6 GLU HA 1 7 ASN H 2.645 . 3.490 3.494 3.409 3.571 0.081 20 0 "[ . 1 . 2]" 1
23 1 6 GLU HA 1 7 ASN HA 3.380 . 4.960 4.755 4.612 4.839 . 0 0 "[ . 1 . 2]" 1
24 1 6 GLU HA 1 9 TYR HB3 3.140 . 4.480 2.520 1.540 4.298 0.260 16 0 "[ . 1 . 2]" 1
25 1 6 GLU QB 1 7 ASN H 3.065 . 4.330 2.808 2.286 3.437 . 0 0 "[ . 1 . 2]" 1
26 1 6 GLU QB 1 7 ASN HA 3.105 . 4.410 4.053 3.704 4.432 0.022 17 0 "[ . 1 . 2]" 1
27 1 6 GLU QB 1 7 ASN QB 3.265 . 4.730 4.095 3.666 4.823 0.093 17 0 "[ . 1 . 2]" 1
28 1 6 GLU QB 1 9 TYR HB2 3.565 . 5.330 4.945 4.453 5.464 0.134 11 0 "[ . 1 . 2]" 1
29 1 6 GLU QG 1 7 ASN H 3.325 . 4.850 3.884 2.302 4.472 . 0 0 "[ . 1 . 2]" 1
30 1 7 ASN H 1 7 ASN QB 2.630 . 3.460 2.249 2.156 2.344 . 0 0 "[ . 1 . 2]" 1
31 1 7 ASN H 1 8 LYS QB 3.275 . 4.750 4.566 3.998 4.996 0.246 7 0 "[ . 1 . 2]" 1
32 1 7 ASN HA 1 9 TYR H 3.430 . 5.060 4.230 3.473 4.661 . 0 0 "[ . 1 . 2]" 1
33 1 7 ASN HA 1 10 LEU MD2 3.360 . 4.920 4.507 4.086 5.040 0.120 12 0 "[ . 1 . 2]" 1
34 1 7 ASN QB 1 7 ASN HD21 2.765 . 3.730 2.663 2.213 2.827 . 0 0 "[ . 1 . 2]" 1
35 1 7 ASN QB 1 7 ASN QD 2.465 . 3.130 2.574 2.181 2.714 . 0 0 "[ . 1 . 2]" 1
36 1 7 ASN QB 1 7 ASN HD22 2.765 . 3.730 3.445 3.293 3.499 . 0 0 "[ . 1 . 2]" 1
37 1 7 ASN QB 1 8 LYS H 3.065 . 4.330 2.619 2.276 2.806 . 0 0 "[ . 1 . 2]" 1
38 1 7 ASN QB 1 8 LYS HA 3.260 . 4.720 4.186 3.965 4.305 . 0 0 "[ . 1 . 2]" 1
39 1 7 ASN QD 1 10 LEU MD2 3.100 . 4.400 3.919 2.962 4.291 . 0 0 "[ . 1 . 2]" 1
40 1 7 ASN HD21 1 10 LEU MD2 3.420 . 5.040 4.380 3.637 4.937 . 0 0 "[ . 1 . 2]" 1
41 1 7 ASN HD22 1 10 LEU MD2 3.420 . 5.040 4.622 3.080 5.134 0.094 17 0 "[ . 1 . 2]" 1
42 1 8 LYS H 1 8 LYS QB 2.750 . 3.700 2.283 2.085 2.637 . 0 0 "[ . 1 . 2]" 1
43 1 8 LYS H 1 8 LYS QD 3.460 . 5.120 3.981 2.248 4.854 . 0 0 "[ . 1 . 2]" 1
44 1 8 LYS H 1 8 LYS QG 2.860 . 3.920 3.297 2.139 4.022 0.102 5 0 "[ . 1 . 2]" 1
45 1 8 LYS H 1 9 TYR H 2.630 . 3.460 2.373 2.077 2.869 . 0 0 "[ . 1 . 2]" 1
46 1 8 LYS H 1 11 PRO HG2 3.650 . 5.500 5.474 5.150 5.590 0.090 13 0 "[ . 1 . 2]" 1
47 1 8 LYS HA 1 8 LYS HD2 3.650 . 5.500 4.297 2.494 5.174 . 0 0 "[ . 1 . 2]" 1
48 1 8 LYS HA 1 8 LYS QD 3.290 . 4.780 3.791 2.456 4.224 . 0 0 "[ . 1 . 2]" 1
49 1 8 LYS HA 1 8 LYS HD3 3.650 . 5.500 4.355 3.685 4.704 . 0 0 "[ . 1 . 2]" 1
50 1 8 LYS HA 1 8 LYS QE 3.150 . 4.500 4.250 2.443 4.737 0.237 13 0 "[ . 1 . 2]" 1
51 1 8 LYS HA 1 8 LYS QG 2.630 . 3.460 2.404 2.106 3.483 0.023 7 0 "[ . 1 . 2]" 1
52 1 8 LYS HA 1 11 PRO QD 2.750 . 3.700 2.556 1.837 3.076 . 0 0 "[ . 1 . 2]" 1
53 1 8 LYS HA 1 11 PRO HG2 2.700 . 3.600 2.915 2.499 3.155 . 0 0 "[ . 1 . 2]" 1
54 1 8 LYS HA 1 11 PRO HG3 2.730 . 3.660 2.757 2.365 3.106 . 0 0 "[ . 1 . 2]" 1
55 1 8 LYS QB 1 8 LYS QE 3.140 . 4.480 2.898 1.815 3.714 . 0 0 "[ . 1 . 2]" 1
56 1 8 LYS QB 1 9 TYR H 3.170 . 4.540 2.994 2.559 3.647 . 0 0 "[ . 1 . 2]" 1
57 1 8 LYS QB 1 11 PRO QD 3.430 . 5.060 4.098 3.353 4.499 . 0 0 "[ . 1 . 2]" 1
58 1 8 LYS QE 1 8 LYS QG 2.790 . 3.780 2.300 2.114 2.814 . 0 0 "[ . 1 . 2]" 1
59 1 9 TYR H 1 9 TYR HB2 2.505 . 3.210 2.495 2.368 2.633 . 0 0 "[ . 1 . 2]" 1
60 1 9 TYR H 1 9 TYR HB3 2.555 . 3.310 2.374 2.278 2.456 . 0 0 "[ . 1 . 2]" 1
61 1 9 TYR H 1 9 TYR QD 3.005 . 4.210 4.137 4.096 4.171 . 0 0 "[ . 1 . 2]" 1
62 1 9 TYR H 1 10 LEU H 2.770 . 3.740 2.666 2.509 2.763 . 0 0 "[ . 1 . 2]" 1
63 1 9 TYR H 1 11 PRO QD 3.410 . 5.020 3.564 3.494 3.643 . 0 0 "[ . 1 . 2]" 1
64 1 9 TYR HA 1 9 TYR QD 2.440 . 3.080 2.536 2.381 2.710 . 0 0 "[ . 1 . 2]" 1
65 1 9 TYR HA 1 9 TYR QE 3.330 . 4.860 4.650 4.549 4.782 . 0 0 "[ . 1 . 2]" 1
66 1 9 TYR HA 1 11 PRO QD 3.060 . 4.320 4.090 3.990 4.196 . 0 0 "[ . 1 . 2]" 1
67 1 9 TYR HA 1 11 PRO HG2 3.305 . 4.810 4.781 4.656 4.855 0.045 9 0 "[ . 1 . 2]" 1
68 1 9 TYR HA 1 12 GLU H 3.155 . 4.510 3.768 3.638 3.899 . 0 0 "[ . 1 . 2]" 1
69 1 9 TYR HA 1 12 GLU HB2 2.920 . 4.040 2.828 2.432 3.077 . 0 0 "[ . 1 . 2]" 1
70 1 9 TYR HA 1 12 GLU HB3 3.175 . 4.550 4.226 3.766 4.476 . 0 0 "[ . 1 . 2]" 1
71 1 9 TYR HA 1 12 GLU HG2 3.455 . 5.110 3.784 2.808 4.615 . 0 0 "[ . 1 . 2]" 1
72 1 9 TYR HA 1 13 LEU MD1 3.545 . 5.290 4.824 4.598 5.045 . 0 0 "[ . 1 . 2]" 1
73 1 9 TYR HA 1 38 ILE MD 3.525 . 5.250 4.740 4.572 4.906 . 0 0 "[ . 1 . 2]" 1
74 1 9 TYR HB2 1 10 LEU H 2.935 . 4.070 4.050 3.974 4.105 0.035 2 0 "[ . 1 . 2]" 1
75 1 9 TYR HB2 1 11 PRO QD 3.575 . 5.350 5.311 5.235 5.362 0.012 4 0 "[ . 1 . 2]" 1
76 1 9 TYR HB2 1 12 GLU HB2 3.545 . 5.290 5.121 4.779 5.323 0.033 8 0 "[ . 1 . 2]" 1
77 1 9 TYR HB2 1 13 LEU MD1 3.605 . 5.410 5.153 4.897 5.365 . 0 0 "[ . 1 . 2]" 1
78 1 9 TYR HB2 1 38 ILE MD 3.580 . 5.360 4.368 4.173 4.518 . 0 0 "[ . 1 . 2]" 1
79 1 9 TYR HB3 1 10 LEU H 2.765 . 3.730 2.852 2.734 2.930 . 0 0 "[ . 1 . 2]" 1
80 1 9 TYR HB3 1 10 LEU HB2 3.485 . 5.170 4.399 4.272 4.488 . 0 0 "[ . 1 . 2]" 1
81 1 9 TYR HB3 1 10 LEU MD1 3.650 . 5.500 5.455 5.305 5.520 0.020 15 0 "[ . 1 . 2]" 1
82 1 9 TYR HB3 1 11 PRO QD 3.510 . 5.220 4.567 4.474 4.631 . 0 0 "[ . 1 . 2]" 1
83 1 9 TYR HB3 1 13 LEU MD1 3.225 . 4.650 4.350 4.073 4.605 . 0 0 "[ . 1 . 2]" 1
84 1 9 TYR HB3 1 38 ILE MD 3.075 . 4.350 3.017 2.768 3.184 . 0 0 "[ . 1 . 2]" 1
85 1 9 TYR HB3 1 38 ILE MG 3.310 . 4.820 4.182 3.930 4.451 . 0 0 "[ . 1 . 2]" 1
86 1 9 TYR QD 1 10 LEU H 2.990 . 4.180 4.007 3.875 4.092 . 0 0 "[ . 1 . 2]" 1
87 1 9 TYR QD 1 10 LEU HB2 3.180 . 4.560 4.493 4.290 4.604 0.044 7 0 "[ . 1 . 2]" 1
88 1 9 TYR QD 1 10 LEU MD1 3.650 . 5.500 4.793 4.578 4.954 . 0 0 "[ . 1 . 2]" 1
89 1 9 TYR QD 1 12 GLU H 3.650 . 5.500 5.479 5.220 5.551 0.051 13 0 "[ . 1 . 2]" 1
90 1 9 TYR QD 1 12 GLU HG3 3.650 . 5.500 4.367 3.838 4.996 . 0 0 "[ . 1 . 2]" 1
91 1 9 TYR QD 1 13 LEU MD1 2.985 . 4.170 3.040 2.916 3.173 . 0 0 "[ . 1 . 2]" 1
92 1 9 TYR QD 1 13 LEU MD2 3.115 . 4.430 3.959 3.707 4.186 . 0 0 "[ . 1 . 2]" 1
93 1 9 TYR QD 1 13 LEU HG 3.650 . 5.500 3.880 3.662 4.087 . 0 0 "[ . 1 . 2]" 1
94 1 9 TYR QD 1 34 GLU HG2 3.610 . 5.420 4.671 4.489 4.925 . 0 0 "[ . 1 . 2]" 1
95 1 9 TYR QD 1 34 GLU HG3 3.650 . 5.500 4.205 4.021 4.473 . 0 0 "[ . 1 . 2]" 1
96 1 9 TYR QD 1 38 ILE MD 2.885 . 3.970 1.825 1.784 1.910 0.016 16 0 "[ . 1 . 2]" 1
97 1 9 TYR QD 1 38 ILE MG 3.290 . 4.780 3.761 3.667 3.871 . 0 0 "[ . 1 . 2]" 1
98 1 9 TYR QD 2 26 HIS HE1 2.665 . 3.530 2.852 2.512 3.073 . 0 0 "[ . 1 . 2]" 1
99 1 9 TYR QE 1 13 LEU MD1 2.810 . 3.820 2.452 2.272 2.632 . 0 0 "[ . 1 . 2]" 1
100 1 9 TYR QE 1 13 LEU MD2 2.795 . 3.790 2.977 2.749 3.250 . 0 0 "[ . 1 . 2]" 1
101 1 9 TYR QE 1 34 GLU HG2 3.010 . 4.220 2.619 2.421 2.835 . 0 0 "[ . 1 . 2]" 1
102 1 9 TYR QE 1 34 GLU HG3 3.010 . 4.220 2.419 2.249 2.627 . 0 0 "[ . 1 . 2]" 1
103 1 9 TYR QE 1 38 ILE H 3.650 . 5.500 5.614 5.562 5.667 0.167 17 0 "[ . 1 . 2]" 1
104 1 9 TYR QE 1 38 ILE MD 2.630 . 3.460 2.374 2.230 2.656 . 0 0 "[ . 1 . 2]" 1
105 1 9 TYR QE 1 38 ILE HG12 2.995 . 4.190 3.822 3.676 3.929 . 0 0 "[ . 1 . 2]" 1
106 1 9 TYR QE 1 38 ILE HG13 3.035 . 4.270 3.988 3.920 4.105 . 0 0 "[ . 1 . 2]" 1
107 1 9 TYR QE 1 38 ILE MG 3.405 . 5.010 5.051 4.948 5.144 0.134 8 0 "[ . 1 . 2]" 1
108 1 9 TYR QE 2 26 HIS HB3 3.035 . 4.270 3.402 2.976 4.283 0.013 19 0 "[ . 1 . 2]" 1
109 1 9 TYR QE 2 26 HIS HE1 2.815 . 3.830 3.081 2.609 3.487 . 0 0 "[ . 1 . 2]" 1
110 1 9 TYR QE 2 30 LEU MD1 3.230 . 4.660 4.331 3.956 4.658 . 0 0 "[ . 1 . 2]" 1
111 1 10 LEU H 1 10 LEU HB2 2.630 . 3.460 2.570 2.525 2.600 . 0 0 "[ . 1 . 2]" 1
112 1 10 LEU H 1 10 LEU HB3 2.610 . 3.420 2.404 2.345 2.473 . 0 0 "[ . 1 . 2]" 1
113 1 10 LEU H 1 10 LEU MD1 2.930 . 4.060 4.124 4.103 4.147 0.087 18 0 "[ . 1 . 2]" 1
114 1 10 LEU H 1 10 LEU MD2 3.055 . 4.310 4.207 4.166 4.253 . 0 0 "[ . 1 . 2]" 1
115 1 10 LEU H 1 10 LEU HG 3.240 . 4.680 4.419 4.371 4.471 . 0 0 "[ . 1 . 2]" 1
116 1 10 LEU H 1 11 PRO QD 2.575 . 3.350 2.060 2.032 2.077 . 0 0 "[ . 1 . 2]" 1
117 1 10 LEU H 1 11 PRO HG2 3.650 . 5.500 4.233 4.152 4.274 . 0 0 "[ . 1 . 2]" 1
118 1 10 LEU H 1 11 PRO HG3 3.205 . 4.610 4.691 4.669 4.714 0.104 16 0 "[ . 1 . 2]" 1
119 1 10 LEU H 1 13 LEU MD1 3.400 . 5.000 4.346 4.067 4.569 . 0 0 "[ . 1 . 2]" 1
120 1 10 LEU H 1 38 ILE MD 3.040 . 4.280 3.199 3.018 3.302 . 0 0 "[ . 1 . 2]" 1
121 1 10 LEU H 1 38 ILE MG 3.545 . 5.290 3.673 3.430 3.839 . 0 0 "[ . 1 . 2]" 1
122 1 10 LEU HA 1 10 LEU MD1 2.465 . 3.130 2.121 2.079 2.216 . 0 0 "[ . 1 . 2]" 1
123 1 10 LEU HA 1 10 LEU MD2 3.005 . 4.210 3.874 3.844 3.902 . 0 0 "[ . 1 . 2]" 1
124 1 10 LEU HA 1 10 LEU HG 3.000 . 4.200 3.243 3.199 3.279 . 0 0 "[ . 1 . 2]" 1
125 1 10 LEU HA 1 13 LEU HB2 3.140 . 4.480 3.032 2.916 3.142 . 0 0 "[ . 1 . 2]" 1
126 1 10 LEU HA 1 13 LEU HB3 3.590 . 5.380 4.579 4.432 4.693 . 0 0 "[ . 1 . 2]" 1
127 1 10 LEU HA 1 13 LEU MD1 2.655 . 3.510 2.186 1.907 2.407 . 0 0 "[ . 1 . 2]" 1
128 1 10 LEU HA 1 13 LEU MD2 3.535 . 5.270 4.645 4.451 4.780 . 0 0 "[ . 1 . 2]" 1
129 1 10 LEU HA 1 13 LEU HG 3.320 . 4.840 3.378 3.143 3.520 . 0 0 "[ . 1 . 2]" 1
130 1 10 LEU HA 1 35 ILE MD 3.650 . 5.500 5.046 4.838 5.117 . 0 0 "[ . 1 . 2]" 1
131 1 10 LEU HA 1 38 ILE MD 2.865 . 3.930 2.074 1.977 2.188 . 0 0 "[ . 1 . 2]" 1
132 1 10 LEU HA 1 38 ILE MG 2.855 . 3.910 3.590 3.337 3.826 . 0 0 "[ . 1 . 2]" 1
133 1 10 LEU HB2 1 10 LEU MD1 2.590 . 3.380 2.378 2.336 2.397 . 0 0 "[ . 1 . 2]" 1
134 1 10 LEU HB2 1 10 LEU MD2 2.430 . 3.060 2.359 2.291 2.394 . 0 0 "[ . 1 . 2]" 1
135 1 10 LEU HB2 1 11 PRO QD 2.645 . 3.490 3.363 3.322 3.389 . 0 0 "[ . 1 . 2]" 1
136 1 10 LEU HB2 1 13 LEU MD1 3.600 . 5.400 4.000 3.723 4.232 . 0 0 "[ . 1 . 2]" 1
137 1 10 LEU HB2 1 38 ILE MD 2.610 . 3.420 2.362 2.246 2.454 . 0 0 "[ . 1 . 2]" 1
138 1 10 LEU HB2 1 38 ILE MG 2.450 . 3.100 1.908 1.741 2.078 0.059 7 0 "[ . 1 . 2]" 1
139 1 10 LEU HB3 1 10 LEU MD2 2.485 . 3.170 2.320 2.289 2.344 . 0 0 "[ . 1 . 2]" 1
140 1 10 LEU HB3 1 11 PRO HA 3.245 . 4.690 4.500 4.446 4.569 . 0 0 "[ . 1 . 2]" 1
141 1 10 LEU HB3 1 11 PRO HB3 3.650 . 5.500 4.725 4.681 4.778 . 0 0 "[ . 1 . 2]" 1
142 1 10 LEU HB3 1 11 PRO QD 2.670 . 3.540 1.979 1.934 2.015 . 0 0 "[ . 1 . 2]" 1
143 1 10 LEU HB3 1 12 GLU H 3.595 . 5.390 4.796 4.677 4.857 . 0 0 "[ . 1 . 2]" 1
144 1 10 LEU HB3 1 13 LEU MD1 3.650 . 5.500 4.886 4.622 5.102 . 0 0 "[ . 1 . 2]" 1
145 1 10 LEU MD1 1 11 PRO HA 3.240 . 4.680 4.503 4.415 4.617 . 0 0 "[ . 1 . 2]" 1
146 1 10 LEU MD1 1 11 PRO QD 3.080 . 4.360 4.079 4.006 4.148 . 0 0 "[ . 1 . 2]" 1
147 1 10 LEU MD1 1 13 LEU MD1 2.585 . 3.370 2.685 2.415 2.845 . 0 0 "[ . 1 . 2]" 1
148 1 10 LEU MD1 1 14 MET H 2.945 . 4.090 4.011 3.898 4.098 0.008 10 0 "[ . 1 . 2]" 1
149 1 10 LEU MD1 1 14 MET HB3 2.825 . 3.850 3.921 3.803 4.597 0.747 17 1 "[ . 1 . + 2]" 1
150 1 10 LEU MD1 1 35 ILE HA 2.655 . 3.510 2.487 2.322 2.633 . 0 0 "[ . 1 . 2]" 1
151 1 10 LEU MD1 1 35 ILE HG12 3.110 . 4.420 2.529 2.382 2.710 . 0 0 "[ . 1 . 2]" 1
152 1 10 LEU MD1 1 36 GLU H 3.590 . 5.380 5.012 4.896 5.164 . 0 0 "[ . 1 . 2]" 1
153 1 10 LEU MD1 1 38 ILE H 3.100 . 4.400 3.834 3.669 3.939 . 0 0 "[ . 1 . 2]" 1
154 1 10 LEU MD1 1 38 ILE HA 3.385 . 4.970 4.505 4.417 4.576 . 0 0 "[ . 1 . 2]" 1
155 1 10 LEU MD1 1 38 ILE HB 2.600 . 3.400 1.766 1.712 1.817 0.088 18 0 "[ . 1 . 2]" 1
156 1 10 LEU MD1 1 38 ILE HG13 2.845 . 3.890 3.279 3.093 3.464 . 0 0 "[ . 1 . 2]" 1
157 1 10 LEU MD1 1 39 GLN H 2.805 . 3.810 3.367 3.287 3.472 . 0 0 "[ . 1 . 2]" 1
158 1 10 LEU MD1 1 39 GLN HE21 3.115 . 4.430 2.882 1.796 4.066 0.004 1 0 "[ . 1 . 2]" 1
159 1 10 LEU MD1 1 39 GLN QE 2.735 . 3.670 2.768 1.786 3.694 0.024 8 0 "[ . 1 . 2]" 1
160 1 10 LEU MD1 1 39 GLN HE22 3.115 . 4.430 3.762 3.107 4.329 . 0 0 "[ . 1 . 2]" 1
161 1 10 LEU MD1 1 39 GLN HG2 2.765 . 3.730 2.854 2.334 3.285 . 0 0 "[ . 1 . 2]" 1
162 1 10 LEU MD1 1 39 GLN QG 2.525 . 3.250 2.257 2.075 2.495 . 0 0 "[ . 1 . 2]" 1
163 1 10 LEU MD1 1 39 GLN HG3 2.765 . 3.730 2.753 2.100 3.801 0.071 18 0 "[ . 1 . 2]" 1
164 1 10 LEU MD1 1 40 LYS H 3.650 . 5.500 5.566 5.504 5.614 0.114 19 0 "[ . 1 . 2]" 1
165 1 10 LEU MD2 1 11 PRO QD 2.860 . 3.920 3.225 3.091 3.343 . 0 0 "[ . 1 . 2]" 1
166 1 10 LEU MD2 1 38 ILE H 3.605 . 5.410 5.262 4.949 5.440 0.030 6 0 "[ . 1 . 2]" 1
167 1 10 LEU MD2 1 38 ILE HB 2.660 . 3.520 2.968 2.617 3.192 . 0 0 "[ . 1 . 2]" 1
168 1 10 LEU MD2 1 39 GLN HA 2.665 . 3.530 3.452 3.253 3.585 0.055 10 0 "[ . 1 . 2]" 1
169 1 10 LEU MD2 1 39 GLN HE21 3.415 . 5.030 2.955 1.924 4.723 . 0 0 "[ . 1 . 2]" 1
170 1 10 LEU MD2 1 39 GLN QE 2.990 . 4.180 2.650 1.778 4.269 0.089 8 0 "[ . 1 . 2]" 1
171 1 10 LEU MD2 1 39 GLN HE22 3.415 . 5.030 3.558 2.090 4.870 . 0 0 "[ . 1 . 2]" 1
172 1 10 LEU MD2 1 39 GLN QG 2.740 . 3.680 2.661 2.104 3.597 . 0 0 "[ . 1 . 2]" 1
173 1 10 LEU HG 1 11 PRO QD 2.990 . 4.180 3.140 2.982 3.301 . 0 0 "[ . 1 . 2]" 1
174 1 10 LEU HG 1 14 MET HB3 3.530 . 5.260 4.197 3.990 4.604 . 0 0 "[ . 1 . 2]" 1
175 1 11 PRO HA 1 14 MET H 2.900 . 4.000 3.276 3.181 3.349 . 0 0 "[ . 1 . 2]" 1
176 1 11 PRO HA 1 14 MET HA 3.650 . 5.500 5.293 5.142 5.408 . 0 0 "[ . 1 . 2]" 1
177 1 11 PRO HA 1 14 MET HB3 3.095 . 4.390 3.443 2.406 3.709 . 0 0 "[ . 1 . 2]" 1
178 1 11 PRO HA 1 15 ALA H 3.265 . 4.730 3.985 3.830 4.129 . 0 0 "[ . 1 . 2]" 1
179 1 11 PRO HB2 1 12 GLU H 2.705 . 3.610 3.327 3.267 3.382 . 0 0 "[ . 1 . 2]" 1
180 1 11 PRO HB2 1 12 GLU HG2 3.145 . 4.490 4.420 4.238 4.977 0.487 1 0 "[ . 1 . 2]" 1
181 1 11 PRO HB3 1 12 GLU H 3.110 . 4.420 4.181 4.130 4.228 . 0 0 "[ . 1 . 2]" 1
182 1 11 PRO QD 1 12 GLU H 2.900 . 4.000 2.891 2.832 2.972 . 0 0 "[ . 1 . 2]" 1
183 1 11 PRO HG2 1 12 GLU H 3.265 . 4.730 2.365 2.260 2.433 . 0 0 "[ . 1 . 2]" 1
184 1 11 PRO HG2 1 12 GLU HA 3.035 . 4.270 4.358 4.319 4.392 0.122 19 0 "[ . 1 . 2]" 1
185 1 11 PRO HG3 1 12 GLU H 2.955 . 4.110 3.943 3.854 4.015 . 0 0 "[ . 1 . 2]" 1
186 1 11 PRO HG3 1 12 GLU HG2 3.485 . 5.170 4.988 4.572 5.944 0.774 1 1 "[+ . 1 . 2]" 1
187 1 12 GLU H 1 12 GLU HB2 2.560 . 3.320 2.468 2.314 2.571 . 0 0 "[ . 1 . 2]" 1
188 1 12 GLU H 1 12 GLU HB3 2.670 . 3.540 3.567 3.524 3.583 0.043 10 0 "[ . 1 . 2]" 1
189 1 12 GLU H 1 12 GLU HG2 2.670 . 3.540 2.554 2.047 3.378 . 0 0 "[ . 1 . 2]" 1
190 1 12 GLU H 1 12 GLU HG3 2.940 . 4.080 3.042 2.152 3.693 . 0 0 "[ . 1 . 2]" 1
191 1 12 GLU H 1 13 LEU H 2.620 . 3.440 2.655 2.606 2.684 . 0 0 "[ . 1 . 2]" 1
192 1 12 GLU H 1 13 LEU HA 3.650 . 5.500 5.284 5.232 5.313 . 0 0 "[ . 1 . 2]" 1
193 1 12 GLU H 1 13 LEU MD1 3.610 . 5.420 5.151 5.046 5.234 . 0 0 "[ . 1 . 2]" 1
194 1 12 GLU H 1 13 LEU MD2 3.650 . 5.500 5.531 5.508 5.554 0.054 19 0 "[ . 1 . 2]" 1
195 1 12 GLU H 1 13 LEU HG 3.150 . 4.500 4.477 4.404 4.522 0.022 1 0 "[ . 1 . 2]" 1
196 1 12 GLU H 1 14 MET H 3.210 . 4.620 4.175 4.083 4.227 . 0 0 "[ . 1 . 2]" 1
197 1 12 GLU H 1 15 ALA MB 3.650 . 5.500 4.801 4.725 4.874 . 0 0 "[ . 1 . 2]" 1
198 1 12 GLU H 2 26 HIS HD2 3.570 . 5.340 5.114 4.781 5.376 0.036 9 0 "[ . 1 . 2]" 1
199 1 12 GLU HA 1 12 GLU HG2 2.790 . 3.780 2.726 2.371 3.213 . 0 0 "[ . 1 . 2]" 1
200 1 12 GLU HA 1 12 GLU HG3 2.890 . 3.980 3.598 3.134 3.813 . 0 0 "[ . 1 . 2]" 1
201 1 12 GLU HA 1 13 LEU HA 3.415 . 5.030 4.810 4.790 4.836 . 0 0 "[ . 1 . 2]" 1
202 1 12 GLU HA 1 13 LEU HG 3.625 . 5.450 5.485 5.452 5.515 0.065 1 0 "[ . 1 . 2]" 1
203 1 12 GLU HA 1 15 ALA H 3.060 . 4.320 3.627 3.485 3.697 . 0 0 "[ . 1 . 2]" 1
204 1 12 GLU HA 1 15 ALA MB 2.305 . 2.810 2.866 2.801 2.931 0.121 10 0 "[ . 1 . 2]" 1
205 1 12 GLU HA 1 16 GLU H 3.340 . 4.880 4.145 4.086 4.266 . 0 0 "[ . 1 . 2]" 1
206 1 12 GLU HA 2 26 HIS HD2 3.195 . 4.590 4.121 3.868 4.397 . 0 0 "[ . 1 . 2]" 1
207 1 12 GLU HB2 1 13 LEU H 2.845 . 3.890 2.482 2.393 2.542 . 0 0 "[ . 1 . 2]" 1
208 1 12 GLU HB2 1 13 LEU HG 3.610 . 5.420 3.310 3.188 3.439 . 0 0 "[ . 1 . 2]" 1
209 1 12 GLU HB2 2 26 HIS HD2 2.600 . 3.400 2.905 2.343 3.433 0.033 20 0 "[ . 1 . 2]" 1
210 1 12 GLU HB2 2 26 HIS HE1 3.500 . 5.200 4.959 4.261 5.237 0.037 3 0 "[ . 1 . 2]" 1
211 1 12 GLU HB3 1 13 LEU H 2.805 . 3.810 3.534 3.321 3.678 . 0 0 "[ . 1 . 2]" 1
212 1 12 GLU HB3 1 13 LEU HA 3.050 . 4.300 4.343 4.162 4.463 0.163 13 0 "[ . 1 . 2]" 1
213 1 12 GLU HB3 1 13 LEU MD2 3.425 . 5.050 4.509 4.207 4.735 . 0 0 "[ . 1 . 2]" 1
214 1 12 GLU HB3 2 26 HIS HD2 2.685 . 3.570 2.068 1.824 2.345 . 0 0 "[ . 1 . 2]" 1
215 1 12 GLU HG2 1 13 LEU H 3.350 . 4.900 4.452 4.034 4.899 . 0 0 "[ . 1 . 2]" 1
216 1 12 GLU HG2 2 26 HIS HD2 3.650 . 5.500 4.828 4.468 5.266 . 0 0 "[ . 1 . 2]" 1
217 1 12 GLU HG3 1 13 LEU H 3.640 . 5.480 4.519 4.090 4.899 . 0 0 "[ . 1 . 2]" 1
218 1 12 GLU HG3 2 26 HIS HD2 3.515 . 5.230 4.342 3.983 4.665 . 0 0 "[ . 1 . 2]" 1
219 1 13 LEU H 1 13 LEU HB2 2.550 . 3.300 2.446 2.412 2.475 . 0 0 "[ . 1 . 2]" 1
220 1 13 LEU H 1 13 LEU HB3 2.990 . 4.180 3.577 3.563 3.589 . 0 0 "[ . 1 . 2]" 1
221 1 13 LEU H 1 13 LEU MD1 2.940 . 4.080 3.486 3.432 3.528 . 0 0 "[ . 1 . 2]" 1
222 1 13 LEU H 1 13 LEU MD2 2.775 . 3.750 3.506 3.470 3.553 . 0 0 "[ . 1 . 2]" 1
223 1 13 LEU H 1 13 LEU HG 2.505 . 3.210 2.322 2.280 2.355 . 0 0 "[ . 1 . 2]" 1
224 1 13 LEU H 1 35 ILE MD 3.580 . 5.360 4.601 4.436 4.657 . 0 0 "[ . 1 . 2]" 1
225 1 13 LEU H 1 35 ILE HG12 3.345 . 4.890 4.581 4.449 4.661 . 0 0 "[ . 1 . 2]" 1
226 1 13 LEU HA 1 13 LEU MD1 3.090 . 4.380 3.872 3.858 3.892 . 0 0 "[ . 1 . 2]" 1
227 1 13 LEU HA 1 13 LEU MD2 2.480 . 3.160 2.088 2.036 2.145 . 0 0 "[ . 1 . 2]" 1
228 1 13 LEU HA 1 13 LEU HG 2.940 . 4.080 2.983 2.953 3.013 . 0 0 "[ . 1 . 2]" 1
229 1 13 LEU HA 1 15 ALA H 3.470 . 5.140 4.376 4.330 4.431 . 0 0 "[ . 1 . 2]" 1
230 1 13 LEU HA 1 16 GLU H 3.305 . 4.810 3.660 3.606 3.708 . 0 0 "[ . 1 . 2]" 1
231 1 13 LEU HA 1 16 GLU HB2 3.555 . 5.310 2.999 2.893 3.085 . 0 0 "[ . 1 . 2]" 1
232 1 13 LEU HA 1 16 GLU QB 3.120 . 4.440 2.965 2.863 3.048 . 0 0 "[ . 1 . 2]" 1
233 1 13 LEU HA 1 16 GLU HB3 3.555 . 5.310 4.672 4.548 4.758 . 0 0 "[ . 1 . 2]" 1
234 1 13 LEU HA 1 16 GLU QG 3.375 . 4.950 3.925 3.849 4.012 . 0 0 "[ . 1 . 2]" 1
235 1 13 LEU HA 1 31 LEU MD2 2.755 . 3.710 2.628 2.559 2.751 . 0 0 "[ . 1 . 2]" 1
236 1 13 LEU HA 1 35 ILE MD 3.140 . 4.480 3.852 3.794 3.904 . 0 0 "[ . 1 . 2]" 1
237 1 13 LEU HA 1 35 ILE HG13 3.630 . 5.460 4.730 4.629 4.791 . 0 0 "[ . 1 . 2]" 1
238 1 13 LEU HA 2 26 HIS HB2 3.345 . 4.890 3.389 3.153 3.497 . 0 0 "[ . 1 . 2]" 1
239 1 13 LEU HA 2 26 HIS HB3 3.470 . 5.140 4.103 3.637 4.342 . 0 0 "[ . 1 . 2]" 1
240 1 13 LEU HA 2 26 HIS HD2 2.980 . 4.160 3.554 3.245 3.894 . 0 0 "[ . 1 . 2]" 1
241 1 13 LEU HB2 1 13 LEU MD1 2.540 . 3.280 2.246 2.227 2.273 . 0 0 "[ . 1 . 2]" 1
242 1 13 LEU HB2 1 13 LEU MD2 2.595 . 3.390 3.178 3.164 3.184 . 0 0 "[ . 1 . 2]" 1
243 1 13 LEU HB2 1 15 ALA H 3.650 . 5.500 4.905 4.874 4.937 . 0 0 "[ . 1 . 2]" 1
244 1 13 LEU HB2 1 35 ILE HA 2.885 . 3.970 4.006 3.823 4.052 0.082 13 0 "[ . 1 . 2]" 1
245 1 13 LEU HB2 1 35 ILE MD 2.990 . 4.180 2.898 2.719 2.987 . 0 0 "[ . 1 . 2]" 1
246 1 13 LEU HB3 1 13 LEU MD1 2.860 . 3.920 2.427 2.404 2.461 . 0 0 "[ . 1 . 2]" 1
247 1 13 LEU HB3 1 13 LEU MD2 2.465 . 3.130 2.280 2.243 2.301 . 0 0 "[ . 1 . 2]" 1
248 1 13 LEU HB3 1 14 MET H 2.810 . 3.820 3.490 3.459 3.519 . 0 0 "[ . 1 . 2]" 1
249 1 13 LEU HB3 1 15 ALA H 3.650 . 5.500 5.465 5.432 5.493 . 0 0 "[ . 1 . 2]" 1
250 1 13 LEU HB3 1 16 GLU H 3.650 . 5.500 5.539 5.517 5.561 0.061 6 0 "[ . 1 . 2]" 1
251 1 13 LEU HB3 1 17 LYS H 3.590 . 5.380 4.779 4.722 4.838 . 0 0 "[ . 1 . 2]" 1
252 1 13 LEU HB3 1 35 ILE H 3.225 . 4.650 4.196 4.043 4.300 . 0 0 "[ . 1 . 2]" 1
253 1 13 LEU HB3 1 35 ILE MD 2.905 . 4.010 2.386 2.359 2.431 . 0 0 "[ . 1 . 2]" 1
254 1 13 LEU MD1 1 14 MET H 3.260 . 4.720 4.303 4.221 4.356 . 0 0 "[ . 1 . 2]" 1
255 1 13 LEU MD1 1 31 LEU HA 3.400 . 5.000 4.321 4.244 4.404 . 0 0 "[ . 1 . 2]" 1
256 1 13 LEU MD1 1 34 GLU H 3.395 . 4.990 4.505 4.388 4.664 . 0 0 "[ . 1 . 2]" 1
257 1 13 LEU MD1 1 34 GLU HA 3.445 . 5.090 4.162 4.087 4.266 . 0 0 "[ . 1 . 2]" 1
258 1 13 LEU MD1 1 34 GLU HB2 3.040 . 4.280 3.698 3.584 3.839 . 0 0 "[ . 1 . 2]" 1
259 1 13 LEU MD1 1 34 GLU HB3 3.170 . 4.540 2.315 2.129 2.579 . 0 0 "[ . 1 . 2]" 1
260 1 13 LEU MD1 1 34 GLU HG2 2.715 . 3.630 2.454 2.307 2.667 . 0 0 "[ . 1 . 2]" 1
261 1 13 LEU MD1 1 34 GLU HG3 2.770 . 3.740 2.183 1.825 2.407 . 0 0 "[ . 1 . 2]" 1
262 1 13 LEU MD1 1 35 ILE H 3.095 . 4.390 3.133 2.931 3.288 . 0 0 "[ . 1 . 2]" 1
263 1 13 LEU MD1 1 35 ILE HA 2.910 . 4.020 2.683 2.482 2.762 . 0 0 "[ . 1 . 2]" 1
264 1 13 LEU MD1 1 35 ILE HB 3.435 . 5.070 4.342 4.235 4.415 . 0 0 "[ . 1 . 2]" 1
265 1 13 LEU MD1 1 35 ILE MD 2.800 . 3.800 3.646 3.606 3.674 . 0 0 "[ . 1 . 2]" 1
266 1 13 LEU MD1 1 35 ILE HG12 3.270 . 4.740 2.680 2.611 2.747 . 0 0 "[ . 1 . 2]" 1
267 1 13 LEU MD1 1 35 ILE HG13 3.145 . 4.490 2.571 2.523 2.634 . 0 0 "[ . 1 . 2]" 1
268 1 13 LEU MD1 1 38 ILE H 3.525 . 5.250 4.478 4.381 4.549 . 0 0 "[ . 1 . 2]" 1
269 1 13 LEU MD1 1 38 ILE HB 3.350 . 4.900 4.085 3.970 4.168 . 0 0 "[ . 1 . 2]" 1
270 1 13 LEU MD1 1 38 ILE MD 2.420 . 3.040 1.860 1.780 1.972 0.020 7 0 "[ . 1 . 2]" 1
271 1 13 LEU MD1 1 38 ILE HG13 3.595 . 5.390 3.227 3.128 3.300 . 0 0 "[ . 1 . 2]" 1
272 1 13 LEU MD1 1 38 ILE MG 3.115 . 4.430 4.108 4.025 4.193 . 0 0 "[ . 1 . 2]" 1
273 1 13 LEU MD1 1 39 GLN QG 3.570 . 5.340 5.312 5.241 5.397 0.057 10 0 "[ . 1 . 2]" 1
274 1 13 LEU MD1 2 26 HIS HB2 3.630 . 5.460 5.203 5.076 5.278 . 0 0 "[ . 1 . 2]" 1
275 1 13 LEU MD1 2 26 HIS HB3 3.645 . 5.490 4.485 4.302 4.649 . 0 0 "[ . 1 . 2]" 1
276 1 13 LEU MD1 2 26 HIS HD2 3.650 . 5.500 5.334 4.858 5.570 0.070 18 0 "[ . 1 . 2]" 1
277 1 13 LEU MD2 1 14 MET H 3.320 . 4.840 4.674 4.649 4.712 . 0 0 "[ . 1 . 2]" 1
278 1 13 LEU MD2 1 16 GLU H 3.635 . 5.470 5.212 5.095 5.319 . 0 0 "[ . 1 . 2]" 1
279 1 13 LEU MD2 1 17 LYS H 3.650 . 5.500 5.089 4.958 5.215 . 0 0 "[ . 1 . 2]" 1
280 1 13 LEU MD2 1 31 LEU H 3.650 . 5.500 5.506 5.447 5.557 0.057 1 0 "[ . 1 . 2]" 1
281 1 13 LEU MD2 1 31 LEU HA 3.000 . 4.200 3.052 2.979 3.109 . 0 0 "[ . 1 . 2]" 1
282 1 13 LEU MD2 1 31 LEU MD2 2.320 . 2.840 2.205 2.109 2.262 . 0 0 "[ . 1 . 2]" 1
283 1 13 LEU MD2 1 34 GLU H 3.395 . 4.990 4.859 4.809 4.914 . 0 0 "[ . 1 . 2]" 1
284 1 13 LEU MD2 1 34 GLU HA 3.515 . 5.230 5.244 5.180 5.282 0.052 18 0 "[ . 1 . 2]" 1
285 1 13 LEU MD2 1 34 GLU HB2 3.205 . 4.610 3.775 3.706 3.851 . 0 0 "[ . 1 . 2]" 1
286 1 13 LEU MD2 1 34 GLU HB3 3.325 . 4.850 2.766 2.713 2.817 . 0 0 "[ . 1 . 2]" 1
287 1 13 LEU MD2 1 34 GLU HG2 2.870 . 3.940 2.684 2.451 2.863 . 0 0 "[ . 1 . 2]" 1
288 1 13 LEU MD2 1 34 GLU HG3 2.745 . 3.690 3.528 3.193 3.692 0.002 9 0 "[ . 1 . 2]" 1
289 1 13 LEU MD2 1 35 ILE H 3.180 . 4.560 4.337 4.224 4.407 . 0 0 "[ . 1 . 2]" 1
290 1 13 LEU MD2 1 35 ILE MD 2.850 . 3.900 3.948 3.913 3.978 0.078 15 0 "[ . 1 . 2]" 1
291 1 13 LEU MD2 1 35 ILE HG13 2.935 . 4.070 3.518 3.472 3.596 . 0 0 "[ . 1 . 2]" 1
292 1 13 LEU MD2 1 38 ILE HG13 3.650 . 5.500 5.513 5.440 5.552 0.052 7 0 "[ . 1 . 2]" 1
293 1 13 LEU MD2 2 26 HIS H 3.355 . 4.910 4.579 4.444 4.661 . 0 0 "[ . 1 . 2]" 1
294 1 13 LEU MD2 2 26 HIS HA 3.080 . 4.360 4.147 3.810 4.294 . 0 0 "[ . 1 . 2]" 1
295 1 13 LEU MD2 2 26 HIS HB2 2.660 . 3.520 2.452 2.312 2.534 . 0 0 "[ . 1 . 2]" 1
296 1 13 LEU MD2 2 26 HIS HB3 2.585 . 3.370 2.112 1.793 2.252 0.007 19 0 "[ . 1 . 2]" 1
297 1 13 LEU MD2 2 26 HIS HD2 2.890 . 3.980 3.311 2.929 3.521 . 0 0 "[ . 1 . 2]" 1
298 1 13 LEU MD2 2 27 ALA H 3.375 . 4.950 4.376 4.226 4.507 . 0 0 "[ . 1 . 2]" 1
299 1 13 LEU MD2 2 29 GLN QB 3.650 . 5.500 5.284 5.045 5.643 0.143 19 0 "[ . 1 . 2]" 1
300 1 13 LEU MD2 2 30 LEU H 3.630 . 5.460 5.364 5.265 5.469 0.009 3 0 "[ . 1 . 2]" 1
301 1 13 LEU MD2 2 30 LEU MD1 2.655 . 3.510 2.301 2.126 2.446 . 0 0 "[ . 1 . 2]" 1
302 1 13 LEU MD2 2 30 LEU MD2 2.855 . 3.910 3.604 3.447 3.757 . 0 0 "[ . 1 . 2]" 1
303 1 13 LEU HG 1 35 ILE MD 3.320 . 4.840 4.848 4.754 4.881 0.041 20 0 "[ . 1 . 2]" 1
304 1 13 LEU HG 2 26 HIS HB3 3.650 . 5.500 4.231 4.001 4.468 . 0 0 "[ . 1 . 2]" 1
305 1 13 LEU HG 2 26 HIS HD2 3.650 . 5.500 4.042 3.448 4.318 . 0 0 "[ . 1 . 2]" 1
306 1 14 MET H 1 14 MET HB2 2.845 . 3.890 3.567 2.675 3.627 . 0 0 "[ . 1 . 2]" 1
307 1 14 MET H 1 14 MET HB3 2.700 . 3.600 2.497 2.249 2.588 . 0 0 "[ . 1 . 2]" 1
308 1 14 MET H 1 14 MET QG 2.750 . 3.700 2.353 2.142 3.865 0.165 17 0 "[ . 1 . 2]" 1
309 1 14 MET H 1 15 ALA H 2.620 . 3.440 2.668 2.654 2.683 . 0 0 "[ . 1 . 2]" 1
310 1 14 MET H 1 15 ALA MB 3.125 . 4.450 4.384 4.364 4.396 . 0 0 "[ . 1 . 2]" 1
311 1 14 MET H 1 35 ILE MD 3.060 . 4.320 3.081 2.864 3.140 . 0 0 "[ . 1 . 2]" 1
312 1 14 MET H 1 35 ILE HG13 3.315 . 4.830 4.763 4.624 4.851 0.021 1 0 "[ . 1 . 2]" 1
313 1 14 MET HA 1 14 MET QG 2.595 . 3.390 3.306 2.540 3.353 . 0 0 "[ . 1 . 2]" 1
314 1 14 MET HA 1 17 LYS HB3 2.500 . 3.200 2.093 1.927 2.198 . 0 0 "[ . 1 . 2]" 1
315 1 14 MET HA 1 17 LYS HG2 3.065 . 4.330 3.909 3.709 4.087 . 0 0 "[ . 1 . 2]" 1
316 1 14 MET HA 1 35 ILE MD 2.540 . 3.280 2.174 2.050 2.252 . 0 0 "[ . 1 . 2]" 1
317 1 14 MET HA 1 35 ILE HG13 3.510 . 5.220 4.723 4.604 4.797 . 0 0 "[ . 1 . 2]" 1
318 1 14 MET HB2 1 15 ALA H 3.250 . 4.700 3.941 3.888 4.086 . 0 0 "[ . 1 . 2]" 1
319 1 14 MET HB2 1 15 ALA HA 3.500 . 5.200 4.691 4.558 5.663 0.463 17 0 "[ . 1 . 2]" 1
320 1 14 MET HB2 1 17 LYS HD3 3.115 . 4.430 3.921 3.534 4.442 0.012 2 0 "[ . 1 . 2]" 1
321 1 14 MET HB2 1 35 ILE MD 2.670 . 3.540 3.425 2.295 3.543 0.003 14 0 "[ . 1 . 2]" 1
322 1 14 MET HB2 1 35 ILE HG12 3.630 . 5.460 5.250 3.710 5.424 . 0 0 "[ . 1 . 2]" 1
323 1 14 MET HB2 1 35 ILE MG 3.130 . 4.460 4.409 3.175 4.511 0.051 8 0 "[ . 1 . 2]" 1
324 1 14 MET HB3 1 14 MET ME 2.355 . 2.910 2.140 1.930 2.932 0.022 10 0 "[ . 1 . 2]" 1
325 1 14 MET HB3 1 15 ALA H 3.215 . 4.630 3.921 2.806 4.043 . 0 0 "[ . 1 . 2]" 1
326 1 14 MET HB3 1 17 LYS QE 3.650 . 5.500 5.603 5.525 6.309 0.809 17 1 "[ . 1 . + 2]" 1
327 1 14 MET HB3 1 35 ILE MD 2.895 . 3.990 2.830 2.603 3.576 . 0 0 "[ . 1 . 2]" 1
328 1 14 MET HB3 1 35 ILE HG12 3.650 . 5.500 3.923 3.771 4.779 . 0 0 "[ . 1 . 2]" 1
329 1 14 MET HB3 1 35 ILE MG 2.800 . 3.800 3.566 3.378 4.522 0.722 17 1 "[ . 1 . + 2]" 1
330 1 14 MET QG 1 15 ALA H 2.795 . 3.790 2.363 2.248 3.387 . 0 0 "[ . 1 . 2]" 1
331 1 14 MET QG 1 15 ALA HA 3.255 . 4.710 3.311 3.200 3.420 . 0 0 "[ . 1 . 2]" 1
332 1 14 MET QG 1 35 ILE MD 3.395 . 4.990 4.141 3.385 4.310 . 0 0 "[ . 1 . 2]" 1
333 1 15 ALA H 1 15 ALA MB 2.275 . 2.750 2.257 2.243 2.268 . 0 0 "[ . 1 . 2]" 1
334 1 15 ALA H 1 35 ILE MD 3.300 . 4.800 4.637 4.480 4.701 . 0 0 "[ . 1 . 2]" 1
335 1 15 ALA HA 1 18 ASP H 2.995 . 4.190 3.471 3.326 3.614 . 0 0 "[ . 1 . 2]" 1
336 1 15 ALA HA 1 18 ASP QB 2.625 . 3.450 3.035 2.699 3.379 . 0 0 "[ . 1 . 2]" 1
337 1 15 ALA MB 1 16 GLU H 2.585 . 3.370 2.482 2.460 2.495 . 0 0 "[ . 1 . 2]" 1
338 1 15 ALA MB 1 16 GLU HA 3.070 . 4.340 3.896 3.874 3.908 . 0 0 "[ . 1 . 2]" 1
339 1 15 ALA MB 1 16 GLU QG 3.495 . 5.190 3.274 3.095 3.325 . 0 0 "[ . 1 . 2]" 1
340 1 16 GLU H 1 16 GLU HB2 2.795 . 3.790 2.456 2.430 2.546 . 0 0 "[ . 1 . 2]" 1
341 1 16 GLU H 1 16 GLU HB3 2.795 . 3.790 3.612 3.602 3.619 . 0 0 "[ . 1 . 2]" 1
342 1 16 GLU H 1 16 GLU HG2 3.025 . 4.250 3.535 3.495 3.588 . 0 0 "[ . 1 . 2]" 1
343 1 16 GLU H 1 16 GLU QG 2.675 . 3.550 2.340 2.089 2.417 . 0 0 "[ . 1 . 2]" 1
344 1 16 GLU H 1 16 GLU HG3 3.025 . 4.250 2.375 2.105 2.458 . 0 0 "[ . 1 . 2]" 1
345 1 16 GLU H 1 17 LYS H 2.640 . 3.480 2.498 2.450 2.542 . 0 0 "[ . 1 . 2]" 1
346 1 16 GLU H 1 31 LEU MD2 3.140 . 4.480 4.258 4.190 4.344 . 0 0 "[ . 1 . 2]" 1
347 1 16 GLU HA 1 16 GLU HG2 2.810 . 3.820 2.528 2.474 2.736 . 0 0 "[ . 1 . 2]" 1
348 1 16 GLU HA 1 16 GLU HG3 2.810 . 3.820 3.079 2.981 3.115 . 0 0 "[ . 1 . 2]" 1
349 1 16 GLU HA 1 31 LEU MD2 3.425 . 5.050 4.850 4.787 4.906 . 0 0 "[ . 1 . 2]" 1
350 1 16 GLU HA 2 24 PHE QD 2.655 . 3.510 2.249 2.063 2.413 . 0 0 "[ . 1 . 2]" 1
351 1 16 GLU QB 1 17 LYS H 2.635 . 3.470 2.534 2.484 2.590 . 0 0 "[ . 1 . 2]" 1
352 1 16 GLU QB 1 31 LEU MD1 2.805 . 3.810 2.617 2.529 2.774 . 0 0 "[ . 1 . 2]" 1
353 1 16 GLU QB 1 31 LEU MD2 2.800 . 3.800 2.432 2.382 2.526 . 0 0 "[ . 1 . 2]" 1
354 1 16 GLU QB 1 31 LEU HG 3.570 . 5.340 4.482 4.405 4.625 . 0 0 "[ . 1 . 2]" 1
355 1 16 GLU QB 2 24 PHE QD 2.645 . 3.490 1.975 1.884 2.040 . 0 0 "[ . 1 . 2]" 1
356 1 16 GLU QB 2 27 ALA H 3.565 . 5.330 3.317 3.265 3.369 . 0 0 "[ . 1 . 2]" 1
357 1 16 GLU QB 2 27 ALA MB 3.055 . 4.310 2.627 2.498 2.797 . 0 0 "[ . 1 . 2]" 1
358 1 16 GLU HB2 1 17 LYS H 2.950 . 4.100 2.589 2.525 2.651 . 0 0 "[ . 1 . 2]" 1
359 1 16 GLU HB2 1 31 LEU MD1 3.185 . 4.570 3.098 2.953 3.283 . 0 0 "[ . 1 . 2]" 1
360 1 16 GLU HB2 2 24 PHE QD 2.920 . 4.040 3.580 3.507 3.654 . 0 0 "[ . 1 . 2]" 1
361 1 16 GLU HB2 2 24 PHE QE 3.545 . 5.290 5.288 5.225 5.342 0.052 7 0 "[ . 1 . 2]" 1
362 1 16 GLU HB2 2 27 ALA MB 3.360 . 4.920 3.609 3.484 3.751 . 0 0 "[ . 1 . 2]" 1
363 1 16 GLU HB3 1 17 LYS H 2.950 . 4.100 3.601 3.527 3.681 . 0 0 "[ . 1 . 2]" 1
364 1 16 GLU HB3 1 31 LEU MD1 3.185 . 4.570 2.824 2.705 2.992 . 0 0 "[ . 1 . 2]" 1
365 1 16 GLU HB3 2 24 PHE QD 2.920 . 4.040 1.985 1.892 2.051 . 0 0 "[ . 1 . 2]" 1
366 1 16 GLU HB3 2 24 PHE QE 3.545 . 5.290 4.074 3.979 4.143 . 0 0 "[ . 1 . 2]" 1
367 1 16 GLU HB3 2 27 ALA MB 3.360 . 4.920 2.699 2.557 2.887 . 0 0 "[ . 1 . 2]" 1
368 1 16 GLU QG 1 31 LEU MD1 3.325 . 4.850 4.433 4.341 4.589 . 0 0 "[ . 1 . 2]" 1
369 1 16 GLU QG 1 31 LEU MD2 3.030 . 4.260 4.038 3.986 4.159 . 0 0 "[ . 1 . 2]" 1
370 1 16 GLU QG 2 24 PHE HA 2.915 . 4.030 2.513 2.355 2.634 . 0 0 "[ . 1 . 2]" 1
371 1 16 GLU QG 2 24 PHE QD 2.675 . 3.550 2.604 2.467 2.862 . 0 0 "[ . 1 . 2]" 1
372 1 16 GLU QG 2 24 PHE QE 3.320 . 4.840 4.176 4.035 4.465 . 0 0 "[ . 1 . 2]" 1
373 1 16 GLU QG 2 25 THR H 3.125 . 4.450 3.715 3.524 3.832 . 0 0 "[ . 1 . 2]" 1
374 1 16 GLU QG 2 26 HIS H 3.320 . 4.840 3.897 3.840 3.964 . 0 0 "[ . 1 . 2]" 1
375 1 16 GLU QG 2 27 ALA H 3.375 . 4.950 4.163 4.121 4.347 . 0 0 "[ . 1 . 2]" 1
376 1 16 GLU QG 2 27 ALA MB 3.570 . 5.340 4.115 4.019 4.317 . 0 0 "[ . 1 . 2]" 1
377 1 16 GLU HG2 1 31 LEU MD1 3.650 . 5.500 4.905 4.813 5.084 . 0 0 "[ . 1 . 2]" 1
378 1 16 GLU HG2 1 31 LEU MD2 3.345 . 4.890 4.743 4.669 4.896 0.006 9 0 "[ . 1 . 2]" 1
379 1 16 GLU HG2 2 24 PHE QD 2.925 . 4.050 2.640 2.496 2.923 . 0 0 "[ . 1 . 2]" 1
380 1 16 GLU HG2 2 26 HIS H 3.650 . 5.500 4.358 4.144 4.493 . 0 0 "[ . 1 . 2]" 1
381 1 16 GLU HG3 1 31 LEU MD1 3.650 . 5.500 5.055 4.937 5.224 . 0 0 "[ . 1 . 2]" 1
382 1 16 GLU HG3 1 31 LEU MD2 3.345 . 4.890 4.374 4.301 4.499 . 0 0 "[ . 1 . 2]" 1
383 1 16 GLU HG3 2 24 PHE QD 2.925 . 4.050 3.983 3.872 4.078 0.028 10 0 "[ . 1 . 2]" 1
384 1 16 GLU HG3 2 26 HIS H 3.650 . 5.500 4.397 4.260 4.686 . 0 0 "[ . 1 . 2]" 1
385 1 17 LYS H 1 17 LYS HB2 2.595 . 3.390 2.802 2.704 2.851 . 0 0 "[ . 1 . 2]" 1
386 1 17 LYS H 1 17 LYS HB3 2.595 . 3.390 2.284 2.236 2.336 . 0 0 "[ . 1 . 2]" 1
387 1 17 LYS H 1 17 LYS HD2 3.650 . 5.500 5.144 4.983 5.261 . 0 0 "[ . 1 . 2]" 1
388 1 17 LYS H 1 17 LYS HD3 3.350 . 4.900 4.652 4.539 4.802 . 0 0 "[ . 1 . 2]" 1
389 1 17 LYS H 1 17 LYS HG2 3.015 . 4.230 4.256 4.217 4.312 0.082 5 0 "[ . 1 . 2]" 1
390 1 17 LYS H 1 17 LYS HG3 3.595 . 5.390 4.557 4.517 4.581 . 0 0 "[ . 1 . 2]" 1
391 1 17 LYS H 1 18 ASP H 2.625 . 3.450 2.835 2.774 2.902 . 0 0 "[ . 1 . 2]" 1
392 1 17 LYS H 1 31 LEU HB3 3.390 . 4.980 4.129 3.917 4.266 . 0 0 "[ . 1 . 2]" 1
393 1 17 LYS H 1 31 LEU MD1 3.015 . 4.230 3.021 2.856 3.163 . 0 0 "[ . 1 . 2]" 1
394 1 17 LYS H 1 31 LEU MD2 2.715 . 3.630 3.190 3.149 3.237 . 0 0 "[ . 1 . 2]" 1
395 1 17 LYS H 1 35 ILE MD 3.055 . 4.310 3.889 3.791 3.951 . 0 0 "[ . 1 . 2]" 1
396 1 17 LYS HA 1 17 LYS HD2 3.305 . 4.810 4.419 4.213 4.513 . 0 0 "[ . 1 . 2]" 1
397 1 17 LYS HA 1 17 LYS HD3 3.330 . 4.860 4.700 4.649 4.726 . 0 0 "[ . 1 . 2]" 1
398 1 17 LYS HA 1 17 LYS QE 3.650 . 5.500 5.147 4.859 5.263 . 0 0 "[ . 1 . 2]" 1
399 1 17 LYS HA 1 17 LYS HG2 2.770 . 3.740 3.386 3.273 3.530 . 0 0 "[ . 1 . 2]" 1
400 1 17 LYS HA 1 17 LYS HG3 2.695 . 3.590 2.819 2.726 2.879 . 0 0 "[ . 1 . 2]" 1
401 1 17 LYS HA 1 19 SER H 3.570 . 5.340 4.119 4.018 4.273 . 0 0 "[ . 1 . 2]" 1
402 1 17 LYS HA 1 20 LEU H 3.245 . 4.690 3.677 3.539 3.793 . 0 0 "[ . 1 . 2]" 1
403 1 17 LYS HA 1 20 LEU HB2 2.940 . 4.080 3.250 3.023 3.348 . 0 0 "[ . 1 . 2]" 1
404 1 17 LYS HA 1 20 LEU HB3 2.985 . 4.170 3.449 3.333 3.646 . 0 0 "[ . 1 . 2]" 1
405 1 17 LYS HA 1 20 LEU MD1 3.515 . 5.230 4.636 4.385 4.741 . 0 0 "[ . 1 . 2]" 1
406 1 17 LYS HA 1 20 LEU MD2 2.730 . 3.660 3.653 3.540 3.706 0.046 6 0 "[ . 1 . 2]" 1
407 1 17 LYS HA 1 31 LEU MD1 2.560 . 3.320 1.782 1.746 1.851 0.054 10 0 "[ . 1 . 2]" 1
408 1 17 LYS HA 1 35 ILE MD 3.515 . 5.230 4.569 4.384 4.654 . 0 0 "[ . 1 . 2]" 1
409 1 17 LYS HB2 1 18 ASP H 3.080 . 4.360 3.971 3.930 4.007 . 0 0 "[ . 1 . 2]" 1
410 1 17 LYS HB2 1 31 LEU HB3 2.890 . 3.980 2.139 1.944 2.294 . 0 0 "[ . 1 . 2]" 1
411 1 17 LYS HB2 1 31 LEU MD1 3.160 . 4.520 2.774 2.667 2.885 . 0 0 "[ . 1 . 2]" 1
412 1 17 LYS HB2 1 31 LEU MD2 3.285 . 4.770 3.124 2.974 3.204 . 0 0 "[ . 1 . 2]" 1
413 1 17 LYS HB2 1 35 ILE MD 2.900 . 4.000 2.641 2.481 2.738 . 0 0 "[ . 1 . 2]" 1
414 1 17 LYS HB3 1 17 LYS QE 3.210 . 4.620 4.050 3.850 4.187 . 0 0 "[ . 1 . 2]" 1
415 1 17 LYS HB3 1 18 ASP H 2.685 . 3.570 2.628 2.571 2.677 . 0 0 "[ . 1 . 2]" 1
416 1 17 LYS HB3 1 18 ASP HA 3.370 . 4.940 4.596 4.512 4.686 . 0 0 "[ . 1 . 2]" 1
417 1 17 LYS HB3 1 18 ASP QB 3.115 . 4.430 4.217 4.037 4.448 0.018 14 0 "[ . 1 . 2]" 1
418 1 17 LYS HB3 1 31 LEU MD2 2.920 . 4.040 4.075 4.056 4.102 0.062 4 0 "[ . 1 . 2]" 1
419 1 17 LYS HB3 1 35 ILE MD 2.930 . 4.060 2.750 2.651 2.827 . 0 0 "[ . 1 . 2]" 1
420 1 17 LYS HD2 1 18 ASP H 3.650 . 5.500 5.362 5.204 5.518 0.018 13 0 "[ . 1 . 2]" 1
421 1 17 LYS HD2 1 31 LEU HB3 3.135 . 4.470 3.598 3.301 3.780 . 0 0 "[ . 1 . 2]" 1
422 1 17 LYS HD2 1 35 ILE MD 2.770 . 3.740 2.026 1.784 2.489 0.016 5 0 "[ . 1 . 2]" 1
423 1 17 LYS HD3 1 18 ASP H 3.490 . 5.180 4.383 4.133 4.748 . 0 0 "[ . 1 . 2]" 1
424 1 17 LYS HD3 1 31 LEU HB3 3.210 . 4.620 4.602 4.186 4.725 0.105 17 0 "[ . 1 . 2]" 1
425 1 17 LYS HD3 1 35 ILE MD 2.455 . 3.110 2.166 1.957 2.341 . 0 0 "[ . 1 . 2]" 1
426 1 17 LYS QE 1 17 LYS HG2 2.790 . 3.780 2.689 2.331 2.960 . 0 0 "[ . 1 . 2]" 1
427 1 17 LYS QE 1 32 THR HA 3.535 . 5.270 3.626 2.953 4.256 . 0 0 "[ . 1 . 2]" 1
428 1 17 LYS QE 1 32 THR MG 3.245 . 4.690 3.342 2.904 3.948 . 0 0 "[ . 1 . 2]" 1
429 1 17 LYS QE 1 35 ILE MD 2.855 . 3.910 3.191 3.007 3.510 . 0 0 "[ . 1 . 2]" 1
430 1 17 LYS QE 1 35 ILE MG 3.605 . 5.410 4.079 3.806 4.686 . 0 0 "[ . 1 . 2]" 1
431 1 17 LYS HG2 1 18 ASP H 2.845 . 3.890 3.008 2.866 3.218 . 0 0 "[ . 1 . 2]" 1
432 1 17 LYS HG2 1 18 ASP HA 3.055 . 4.310 3.075 2.889 3.322 . 0 0 "[ . 1 . 2]" 1
433 1 17 LYS HG2 1 18 ASP QB 2.825 . 3.850 3.857 3.624 3.949 0.099 14 0 "[ . 1 . 2]" 1
434 1 17 LYS HG2 1 19 SER H 3.550 . 5.300 4.900 4.685 5.170 . 0 0 "[ . 1 . 2]" 1
435 1 17 LYS HG2 1 35 ILE MD 3.210 . 4.620 3.958 3.848 4.086 . 0 0 "[ . 1 . 2]" 1
436 1 17 LYS HG3 1 35 ILE MD 3.365 . 4.930 3.824 3.688 4.078 . 0 0 "[ . 1 . 2]" 1
437 1 18 ASP H 1 18 ASP QB 2.365 . 2.930 2.239 2.157 2.312 . 0 0 "[ . 1 . 2]" 1
438 1 18 ASP H 1 19 SER H 2.565 . 3.330 2.556 2.472 2.631 . 0 0 "[ . 1 . 2]" 1
439 1 18 ASP H 1 19 SER HA 3.650 . 5.500 5.157 5.078 5.239 . 0 0 "[ . 1 . 2]" 1
440 1 18 ASP H 1 19 SER HB2 3.650 . 5.500 4.771 4.649 4.887 . 0 0 "[ . 1 . 2]" 1
441 1 18 ASP H 1 31 LEU MD1 3.650 . 5.500 4.668 4.558 4.735 . 0 0 "[ . 1 . 2]" 1
442 1 18 ASP H 1 31 LEU MD2 3.650 . 5.500 5.534 5.500 5.559 0.059 18 0 "[ . 1 . 2]" 1
443 1 18 ASP H 1 35 ILE MD 3.600 . 5.400 4.867 4.754 4.981 . 0 0 "[ . 1 . 2]" 1
444 1 18 ASP HA 1 18 ASP QB 2.375 . 2.950 2.416 2.325 2.488 . 0 0 "[ . 1 . 2]" 1
445 1 18 ASP HA 1 20 LEU H 3.445 . 5.090 4.096 3.767 4.322 . 0 0 "[ . 1 . 2]" 1
446 1 18 ASP QB 1 19 SER H 2.660 . 3.520 3.110 2.851 3.338 . 0 0 "[ . 1 . 2]" 1
447 1 18 ASP QB 1 19 SER HA 3.305 . 4.810 4.164 4.063 4.275 . 0 0 "[ . 1 . 2]" 1
448 1 18 ASP QB 1 19 SER HB2 3.405 . 5.010 4.830 4.622 5.042 0.032 18 0 "[ . 1 . 2]" 1
449 1 18 ASP QB 1 20 LEU H 3.400 . 5.000 4.782 4.714 4.897 . 0 0 "[ . 1 . 2]" 1
450 1 19 SER H 1 19 SER HB2 2.615 . 3.430 2.501 2.453 2.545 . 0 0 "[ . 1 . 2]" 1
451 1 19 SER H 1 20 LEU H 2.365 . 2.930 2.196 2.066 2.359 . 0 0 "[ . 1 . 2]" 1
452 1 19 SER H 1 20 LEU HA 3.345 . 4.890 4.752 4.659 4.870 . 0 0 "[ . 1 . 2]" 1
453 1 19 SER H 1 20 LEU HB2 3.065 . 4.330 4.022 3.876 4.179 . 0 0 "[ . 1 . 2]" 1
454 1 19 SER H 1 20 LEU HB3 3.650 . 5.500 4.709 4.546 5.024 . 0 0 "[ . 1 . 2]" 1
455 1 19 SER H 1 20 LEU MD1 3.650 . 5.500 5.272 5.099 5.409 . 0 0 "[ . 1 . 2]" 1
456 1 19 SER HA 1 20 LEU HB2 3.650 . 5.500 5.531 5.480 5.568 0.068 16 0 "[ . 1 . 2]" 1
457 1 19 SER HB2 1 20 LEU H 3.200 . 4.600 3.250 3.098 3.398 . 0 0 "[ . 1 . 2]" 1
458 1 19 SER HB2 1 20 LEU HB2 3.255 . 4.710 4.443 4.382 4.543 . 0 0 "[ . 1 . 2]" 1
459 1 19 SER HB2 1 20 LEU MD1 3.650 . 5.500 4.790 4.539 4.894 . 0 0 "[ . 1 . 2]" 1
460 1 19 SER HB2 2 24 PHE QE 2.635 . 3.470 1.770 1.738 1.795 0.062 2 0 "[ . 1 . 2]" 1
461 1 19 SER HB2 2 24 PHE HZ 3.180 . 4.560 3.544 3.390 3.659 . 0 0 "[ . 1 . 2]" 1
462 1 19 SER HB3 1 20 LEU H 3.625 . 5.450 4.134 4.042 4.212 . 0 0 "[ . 1 . 2]" 1
463 1 19 SER HB3 1 20 LEU HB2 3.650 . 5.500 5.567 5.539 5.597 0.097 8 0 "[ . 1 . 2]" 1
464 1 19 SER HB3 1 20 LEU MD1 3.650 . 5.500 5.448 5.224 5.509 0.009 18 0 "[ . 1 . 2]" 1
465 1 19 SER HB3 2 24 PHE QE 2.650 . 3.500 2.704 2.609 2.807 . 0 0 "[ . 1 . 2]" 1
466 1 19 SER HB3 2 24 PHE HZ 2.715 . 3.630 3.087 2.886 3.185 . 0 0 "[ . 1 . 2]" 1
467 1 20 LEU H 1 20 LEU HB2 2.535 . 3.270 2.323 2.185 2.395 . 0 0 "[ . 1 . 2]" 1
468 1 20 LEU H 1 20 LEU HB3 2.530 . 3.260 2.700 2.653 2.856 . 0 0 "[ . 1 . 2]" 1
469 1 20 LEU H 1 20 LEU MD1 3.020 . 4.240 3.913 3.701 3.978 . 0 0 "[ . 1 . 2]" 1
470 1 20 LEU H 1 20 LEU MD2 3.050 . 4.300 4.278 4.249 4.303 0.003 15 0 "[ . 1 . 2]" 1
471 1 20 LEU H 1 20 LEU HG 3.240 . 4.680 4.516 4.503 4.533 . 0 0 "[ . 1 . 2]" 1
472 1 20 LEU H 1 28 MET ME 3.220 . 4.640 3.537 3.137 3.670 . 0 0 "[ . 1 . 2]" 1
473 1 20 LEU H 1 31 LEU MD1 3.360 . 4.920 4.189 4.105 4.312 . 0 0 "[ . 1 . 2]" 1
474 1 20 LEU H 2 24 PHE QE 2.825 . 3.850 3.149 2.966 3.321 . 0 0 "[ . 1 . 2]" 1
475 1 20 LEU H 2 24 PHE HZ 3.235 . 4.670 4.686 4.643 4.703 0.033 13 0 "[ . 1 . 2]" 1
476 1 20 LEU HA 1 20 LEU MD1 2.440 . 3.080 2.216 2.108 2.256 . 0 0 "[ . 1 . 2]" 1
477 1 20 LEU HA 1 20 LEU MD2 3.075 . 4.350 3.850 3.818 3.861 . 0 0 "[ . 1 . 2]" 1
478 1 20 LEU HA 1 20 LEU HG 2.965 . 4.130 2.721 2.616 2.766 . 0 0 "[ . 1 . 2]" 1
479 1 20 LEU HA 1 21 ASP H 2.475 . 3.150 2.222 2.210 2.242 . 0 0 "[ . 1 . 2]" 1
480 1 20 LEU HA 1 21 ASP HB2 3.540 . 5.280 4.371 4.316 4.416 . 0 0 "[ . 1 . 2]" 1
481 1 20 LEU HA 1 21 ASP HB3 3.540 . 5.280 4.828 4.790 4.872 . 0 0 "[ . 1 . 2]" 1
482 1 20 LEU HA 2 24 PHE QD 3.330 . 4.860 4.133 4.042 4.220 . 0 0 "[ . 1 . 2]" 1
483 1 20 LEU HA 2 24 PHE QE 2.825 . 3.850 3.050 2.967 3.132 . 0 0 "[ . 1 . 2]" 1
484 1 20 LEU HA 2 24 PHE HZ 2.615 . 3.430 3.153 3.075 3.252 . 0 0 "[ . 1 . 2]" 1
485 1 20 LEU HB2 1 20 LEU MD1 2.600 . 3.400 2.250 2.235 2.279 . 0 0 "[ . 1 . 2]" 1
486 1 20 LEU HB2 1 20 LEU MD2 2.550 . 3.300 2.544 2.444 2.567 . 0 0 "[ . 1 . 2]" 1
487 1 20 LEU HB2 1 21 ASP H 3.125 . 4.450 4.189 4.150 4.243 . 0 0 "[ . 1 . 2]" 1
488 1 20 LEU HB2 2 24 PHE QE 2.940 . 4.080 3.419 3.356 3.573 . 0 0 "[ . 1 . 2]" 1
489 1 20 LEU HB3 1 20 LEU MD1 2.950 . 4.100 3.176 3.171 3.188 . 0 0 "[ . 1 . 2]" 1
490 1 20 LEU HB3 1 20 LEU MD2 2.410 . 3.020 2.193 2.161 2.277 . 0 0 "[ . 1 . 2]" 1
491 1 20 LEU HB3 1 21 ASP H 3.105 . 4.410 3.742 3.651 3.784 . 0 0 "[ . 1 . 2]" 1
492 1 20 LEU HB3 1 28 MET ME 2.410 . 3.020 2.077 1.905 2.210 . 0 0 "[ . 1 . 2]" 1
493 1 20 LEU HB3 1 28 MET HG3 3.070 . 4.340 4.249 3.929 4.351 0.011 6 0 "[ . 1 . 2]" 1
494 1 20 LEU HB3 2 24 PHE QE 3.515 . 5.230 4.779 4.726 4.912 . 0 0 "[ . 1 . 2]" 1
495 1 20 LEU MD1 1 21 ASP H 2.620 . 3.440 3.096 2.966 3.316 . 0 0 "[ . 1 . 2]" 1
496 1 20 LEU MD1 1 21 ASP HB2 3.650 . 5.500 4.999 4.811 5.265 . 0 0 "[ . 1 . 2]" 1
497 1 20 LEU MD1 1 21 ASP HB3 3.650 . 5.500 4.844 4.656 5.153 . 0 0 "[ . 1 . 2]" 1
498 1 20 LEU MD1 1 27 ALA HA 3.650 . 5.500 5.534 5.461 5.578 0.078 20 0 "[ . 1 . 2]" 1
499 1 20 LEU MD1 1 28 MET HA 3.475 . 5.150 5.083 4.976 5.131 . 0 0 "[ . 1 . 2]" 1
500 1 20 LEU MD1 1 28 MET ME 3.060 . 4.320 3.980 3.815 4.456 0.136 11 0 "[ . 1 . 2]" 1
501 1 20 LEU MD1 1 31 LEU MD1 2.650 . 3.500 2.807 2.661 2.890 . 0 0 "[ . 1 . 2]" 1
502 1 20 LEU MD1 2 20 LEU MD2 2.540 . 3.280 2.158 2.058 2.243 . 0 0 "[ . 1 . 2]" 1
503 1 20 LEU MD1 2 20 LEU HG 2.775 . 3.750 2.525 2.360 2.598 . 0 0 "[ . 1 . 2]" 1
504 1 20 LEU MD1 2 21 ASP H 3.005 . 4.210 3.844 3.726 3.971 . 0 0 "[ . 1 . 2]" 1
505 1 20 LEU MD1 2 21 ASP HB2 3.650 . 5.500 5.075 4.855 5.349 . 0 0 "[ . 1 . 2]" 1
506 1 20 LEU MD1 2 21 ASP HB3 3.650 . 5.500 4.250 4.044 4.543 . 0 0 "[ . 1 . 2]" 1
507 1 20 LEU MD1 2 24 PHE H 3.290 . 4.780 4.599 4.524 4.717 . 0 0 "[ . 1 . 2]" 1
508 1 20 LEU MD1 2 24 PHE HA 3.630 . 5.460 4.552 4.486 4.613 . 0 0 "[ . 1 . 2]" 1
509 1 20 LEU MD1 2 24 PHE HB2 2.725 . 3.650 2.896 2.815 3.011 . 0 0 "[ . 1 . 2]" 1
510 1 20 LEU MD1 2 24 PHE HB3 2.845 . 3.890 2.714 2.652 2.801 . 0 0 "[ . 1 . 2]" 1
511 1 20 LEU MD1 2 24 PHE QD 2.725 . 3.650 2.630 2.521 2.664 . 0 0 "[ . 1 . 2]" 1
512 1 20 LEU MD1 2 24 PHE QE 2.800 . 3.800 3.095 3.001 3.134 . 0 0 "[ . 1 . 2]" 1
513 1 20 LEU MD1 2 24 PHE HZ 2.850 . 3.900 3.640 3.583 3.700 . 0 0 "[ . 1 . 2]" 1
514 1 20 LEU MD1 2 27 ALA H 3.525 . 5.250 4.643 4.479 4.723 . 0 0 "[ . 1 . 2]" 1
515 1 20 LEU MD1 2 27 ALA HA 3.650 . 5.500 4.665 4.599 4.716 . 0 0 "[ . 1 . 2]" 1
516 1 20 LEU MD1 2 27 ALA MB 2.500 . 3.200 2.332 2.263 2.370 . 0 0 "[ . 1 . 2]" 1
517 1 20 LEU MD1 2 28 MET H 3.400 . 5.000 4.847 4.803 4.884 . 0 0 "[ . 1 . 2]" 1
518 1 20 LEU MD1 2 28 MET HA 3.650 . 5.500 5.531 5.506 5.565 0.065 9 0 "[ . 1 . 2]" 1
519 1 20 LEU MD1 2 28 MET QB 3.650 . 5.500 5.734 5.709 5.806 0.306 11 0 "[ . 1 . 2]" 1
520 1 20 LEU MD2 1 21 ASP H 3.095 . 4.390 4.004 3.956 4.081 . 0 0 "[ . 1 . 2]" 1
521 1 20 LEU MD2 1 24 PHE H 3.255 . 4.710 4.581 4.458 4.672 . 0 0 "[ . 1 . 2]" 1
522 1 20 LEU MD2 1 24 PHE HA 3.520 . 5.240 5.255 5.146 5.280 0.040 3 0 "[ . 1 . 2]" 1
523 1 20 LEU MD2 1 24 PHE HB2 2.700 . 3.600 2.806 2.649 2.875 . 0 0 "[ . 1 . 2]" 1
524 1 20 LEU MD2 1 24 PHE HB3 2.780 . 3.760 3.518 3.479 3.557 . 0 0 "[ . 1 . 2]" 1
525 1 20 LEU MD2 1 24 PHE QD 2.995 . 4.190 3.949 3.889 4.034 . 0 0 "[ . 1 . 2]" 1
526 1 20 LEU MD2 1 27 ALA H 3.275 . 4.750 4.381 4.304 4.415 . 0 0 "[ . 1 . 2]" 1
527 1 20 LEU MD2 1 27 ALA MB 2.445 . 3.090 1.937 1.858 1.968 . 0 0 "[ . 1 . 2]" 1
528 1 20 LEU MD2 1 28 MET H 2.790 . 3.780 3.146 2.996 3.201 . 0 0 "[ . 1 . 2]" 1
529 1 20 LEU MD2 1 28 MET HA 2.620 . 3.440 2.526 2.419 2.595 . 0 0 "[ . 1 . 2]" 1
530 1 20 LEU MD2 1 28 MET QB 2.910 . 4.020 3.536 3.496 3.558 . 0 0 "[ . 1 . 2]" 1
531 1 20 LEU MD2 1 28 MET ME 2.475 . 3.150 2.139 1.909 3.128 . 0 0 "[ . 1 . 2]" 1
532 1 20 LEU MD2 1 28 MET HG2 3.120 . 4.440 1.746 1.688 1.770 0.112 2 0 "[ . 1 . 2]" 1
533 1 20 LEU MD2 1 28 MET HG3 3.115 . 4.430 3.301 2.691 3.377 . 0 0 "[ . 1 . 2]" 1
534 1 20 LEU MD2 1 29 GLN H 3.390 . 4.980 4.865 4.738 4.944 . 0 0 "[ . 1 . 2]" 1
535 1 20 LEU MD2 1 31 LEU HB2 3.415 . 5.030 3.790 3.765 3.820 . 0 0 "[ . 1 . 2]" 1
536 1 20 LEU MD2 1 31 LEU MD1 2.400 . 3.000 1.774 1.745 1.796 0.055 9 0 "[ . 1 . 2]" 1
537 1 20 LEU MD2 2 20 LEU MD1 2.540 . 3.280 2.163 2.041 2.247 . 0 0 "[ . 1 . 2]" 1
538 1 20 LEU MD2 2 24 PHE QE 3.355 . 4.910 4.987 4.945 5.022 0.112 20 0 "[ . 1 . 2]" 1
539 1 20 LEU MD2 2 27 ALA MB 2.620 . 3.440 2.367 2.254 2.491 . 0 0 "[ . 1 . 2]" 1
540 1 20 LEU MD2 2 31 LEU MD1 3.010 . 4.220 3.901 3.710 3.999 . 0 0 "[ . 1 . 2]" 1
541 1 20 LEU HG 1 21 ASP H 2.915 . 4.030 2.376 2.314 2.457 . 0 0 "[ . 1 . 2]" 1
542 1 20 LEU HG 1 21 ASP QB 3.210 . 4.620 3.839 3.719 4.008 . 0 0 "[ . 1 . 2]" 1
543 1 20 LEU HG 1 24 PHE H 3.375 . 4.950 4.784 4.712 4.902 . 0 0 "[ . 1 . 2]" 1
544 1 20 LEU HG 1 24 PHE HB2 2.925 . 4.050 3.373 3.201 3.438 . 0 0 "[ . 1 . 2]" 1
545 1 20 LEU HG 1 24 PHE HB3 3.410 . 5.020 4.741 4.546 4.838 . 0 0 "[ . 1 . 2]" 1
546 1 20 LEU HG 1 24 PHE QD 3.115 . 4.430 3.497 3.350 3.629 . 0 0 "[ . 1 . 2]" 1
547 1 20 LEU HG 1 28 MET HA 3.510 . 5.220 5.108 4.976 5.199 . 0 0 "[ . 1 . 2]" 1
548 1 20 LEU HG 1 28 MET QB 3.650 . 5.500 5.500 5.388 5.538 0.038 9 0 "[ . 1 . 2]" 1
549 1 20 LEU HG 1 28 MET ME 3.130 . 4.460 3.910 3.751 4.257 . 0 0 "[ . 1 . 2]" 1
550 1 20 LEU HG 2 20 LEU MD1 2.775 . 3.750 2.523 2.375 2.601 . 0 0 "[ . 1 . 2]" 1
551 1 21 ASP H 1 21 ASP HB2 2.645 . 3.490 2.478 2.418 2.550 . 0 0 "[ . 1 . 2]" 1
552 1 21 ASP H 1 21 ASP HB3 2.645 . 3.490 2.613 2.574 2.655 . 0 0 "[ . 1 . 2]" 1
553 1 21 ASP H 1 22 PRO HD2 3.610 . 5.420 4.784 4.750 4.812 . 0 0 "[ . 1 . 2]" 1
554 1 21 ASP H 1 22 PRO QD 3.245 . 4.690 4.337 4.313 4.361 . 0 0 "[ . 1 . 2]" 1
555 1 21 ASP H 1 22 PRO HD3 3.610 . 5.420 4.964 4.919 5.036 . 0 0 "[ . 1 . 2]" 1
556 1 21 ASP H 1 24 PHE QD 2.990 . 4.180 3.441 3.316 3.567 . 0 0 "[ . 1 . 2]" 1
557 1 21 ASP H 2 20 LEU MD1 3.005 . 4.210 3.841 3.744 3.987 . 0 0 "[ . 1 . 2]" 1
558 1 21 ASP H 2 24 PHE HZ 3.235 . 4.670 4.639 4.514 4.718 0.048 12 0 "[ . 1 . 2]" 1
559 1 21 ASP HA 1 22 PRO QB 3.405 . 5.010 4.567 4.551 4.591 . 0 0 "[ . 1 . 2]" 1
560 1 21 ASP HA 1 22 PRO HD2 2.510 . 3.220 2.091 2.022 2.148 . 0 0 "[ . 1 . 2]" 1
561 1 21 ASP HA 1 22 PRO HD3 2.510 . 3.220 2.375 2.340 2.440 . 0 0 "[ . 1 . 2]" 1
562 1 21 ASP HA 1 22 PRO QG 2.930 . 4.060 3.858 3.827 3.884 . 0 0 "[ . 1 . 2]" 1
563 1 21 ASP QB 1 22 PRO QD 2.960 . 4.120 3.331 3.270 3.401 . 0 0 "[ . 1 . 2]" 1
564 1 21 ASP QB 1 22 PRO QG 3.570 . 5.340 4.709 4.622 4.773 . 0 0 "[ . 1 . 2]" 1
565 1 21 ASP QB 1 23 SER H 3.080 . 4.360 3.320 3.230 3.391 . 0 0 "[ . 1 . 2]" 1
566 1 21 ASP QB 1 23 SER QB 3.060 . 4.320 3.486 3.273 4.296 . 0 0 "[ . 1 . 2]" 1
567 1 21 ASP QB 1 24 PHE QD 2.550 . 3.300 2.115 1.898 2.369 . 0 0 "[ . 1 . 2]" 1
568 1 21 ASP QB 1 24 PHE QE 2.715 . 3.630 2.093 1.913 2.379 . 0 0 "[ . 1 . 2]" 1
569 1 21 ASP HB2 1 23 SER H 3.430 . 5.060 4.531 4.479 4.578 . 0 0 "[ . 1 . 2]" 1
570 1 21 ASP HB2 1 24 PHE QD 2.900 . 4.000 3.805 3.601 4.021 0.021 10 0 "[ . 1 . 2]" 1
571 1 21 ASP HB2 1 24 PHE QE 2.980 . 4.160 3.233 2.951 3.603 . 0 0 "[ . 1 . 2]" 1
572 1 21 ASP HB2 2 20 LEU MD1 3.650 . 5.500 5.070 4.844 5.366 . 0 0 "[ . 1 . 2]" 1
573 1 21 ASP HB3 1 23 SER H 3.430 . 5.060 3.415 3.311 3.497 . 0 0 "[ . 1 . 2]" 1
574 1 21 ASP HB3 1 24 PHE QD 2.900 . 4.000 2.125 1.905 2.386 . 0 0 "[ . 1 . 2]" 1
575 1 21 ASP HB3 1 24 PHE QE 2.980 . 4.160 2.121 1.933 2.414 . 0 0 "[ . 1 . 2]" 1
576 1 21 ASP HB3 2 20 LEU MD1 3.650 . 5.500 4.245 4.043 4.548 . 0 0 "[ . 1 . 2]" 1
577 1 22 PRO HA 1 24 PHE H 3.055 . 4.310 3.591 3.550 3.651 . 0 0 "[ . 1 . 2]" 1
578 1 22 PRO QD 1 23 SER H 3.025 . 4.250 2.941 2.875 3.035 . 0 0 "[ . 1 . 2]" 1
579 1 22 PRO HD2 1 23 SER H 3.445 . 5.090 3.018 2.945 3.124 . 0 0 "[ . 1 . 2]" 1
580 1 22 PRO HD3 1 23 SER H 3.445 . 5.090 4.062 4.018 4.123 . 0 0 "[ . 1 . 2]" 1
581 1 22 PRO QG 1 23 SER H 2.800 . 3.800 2.766 2.728 2.807 . 0 0 "[ . 1 . 2]" 1
582 1 22 PRO QG 1 23 SER HA 2.985 . 4.170 4.211 4.185 4.243 0.073 11 0 "[ . 1 . 2]" 1
583 1 22 PRO QG 1 23 SER HB2 3.650 . 5.500 4.423 3.996 5.532 0.032 12 0 "[ . 1 . 2]" 1
584 1 22 PRO QG 1 23 SER HB3 3.650 . 5.500 5.004 4.128 5.522 0.022 9 0 "[ . 1 . 2]" 1
585 1 22 PRO QG 1 24 PHE H 3.620 . 5.440 4.954 4.927 4.994 . 0 0 "[ . 1 . 2]" 1
586 1 23 SER H 1 23 SER HB2 2.875 . 3.950 2.636 2.417 3.599 . 0 0 "[ . 1 . 2]" 1
587 1 23 SER H 1 23 SER QB 2.485 . 3.170 2.373 2.241 2.624 . 0 0 "[ . 1 . 2]" 1
588 1 23 SER H 1 23 SER HB3 2.875 . 3.950 2.861 2.561 3.608 . 0 0 "[ . 1 . 2]" 1
589 1 23 SER H 1 24 PHE H 2.575 . 3.350 2.634 2.599 2.691 . 0 0 "[ . 1 . 2]" 1
590 1 23 SER H 1 24 PHE HB2 3.650 . 5.500 4.985 4.956 5.040 . 0 0 "[ . 1 . 2]" 1
591 1 23 SER H 1 24 PHE QD 3.125 . 4.450 3.522 3.415 3.631 . 0 0 "[ . 1 . 2]" 1
592 1 23 SER HA 1 25 THR H 3.650 . 5.500 4.516 4.402 4.646 . 0 0 "[ . 1 . 2]" 1
593 1 23 SER QB 1 24 PHE H 3.000 . 4.200 3.056 2.933 3.634 . 0 0 "[ . 1 . 2]" 1
594 1 23 SER QB 1 24 PHE QD 2.930 . 4.060 3.347 3.161 4.135 0.075 12 0 "[ . 1 . 2]" 1
595 1 23 SER HB2 1 24 PHE H 3.390 . 4.980 3.826 3.024 4.147 . 0 0 "[ . 1 . 2]" 1
596 1 23 SER HB3 1 24 PHE H 3.390 . 4.980 3.444 3.006 4.237 . 0 0 "[ . 1 . 2]" 1
597 1 24 PHE H 1 24 PHE HB2 2.590 . 3.380 2.548 2.528 2.568 . 0 0 "[ . 1 . 2]" 1
598 1 24 PHE H 1 24 PHE HB3 2.755 . 3.710 3.669 3.663 3.677 . 0 0 "[ . 1 . 2]" 1
599 1 24 PHE H 1 24 PHE QD 2.655 . 3.510 2.184 2.088 2.255 . 0 0 "[ . 1 . 2]" 1
600 1 24 PHE H 1 24 PHE QE 2.975 . 4.150 4.244 4.217 4.268 0.118 10 0 "[ . 1 . 2]" 1
601 1 24 PHE H 1 25 THR H 3.185 . 4.570 3.913 3.880 3.953 . 0 0 "[ . 1 . 2]" 1
602 1 24 PHE H 1 27 ALA MB 3.355 . 4.910 4.579 4.522 4.647 . 0 0 "[ . 1 . 2]" 1
603 1 24 PHE H 2 20 LEU MD1 3.290 . 4.780 4.598 4.516 4.708 . 0 0 "[ . 1 . 2]" 1
604 1 24 PHE HA 1 24 PHE QD 3.010 . 4.220 3.067 3.028 3.138 . 0 0 "[ . 1 . 2]" 1
605 1 24 PHE HA 1 25 THR H 2.430 . 3.060 2.252 2.240 2.269 . 0 0 "[ . 1 . 2]" 1
606 1 24 PHE HA 1 25 THR MG 3.645 . 5.490 5.513 5.501 5.527 0.037 2 0 "[ . 1 . 2]" 1
607 1 24 PHE HA 1 26 HIS H 3.325 . 4.850 3.935 3.792 4.031 . 0 0 "[ . 1 . 2]" 1
608 1 24 PHE HA 1 27 ALA H 3.480 . 5.160 4.166 4.125 4.203 . 0 0 "[ . 1 . 2]" 1
609 1 24 PHE HA 1 27 ALA MB 3.125 . 4.450 3.949 3.873 4.045 . 0 0 "[ . 1 . 2]" 1
610 1 24 PHE HA 2 16 GLU QG 2.915 . 4.030 2.513 2.398 2.658 . 0 0 "[ . 1 . 2]" 1
611 1 24 PHE HA 2 20 LEU MD1 3.630 . 5.460 4.553 4.492 4.607 . 0 0 "[ . 1 . 2]" 1
612 1 24 PHE HB2 1 25 THR H 3.335 . 4.870 4.434 4.416 4.445 . 0 0 "[ . 1 . 2]" 1
613 1 24 PHE HB2 1 25 THR HA 3.650 . 5.500 5.130 5.073 5.189 . 0 0 "[ . 1 . 2]" 1
614 1 24 PHE HB2 1 27 ALA H 3.545 . 5.290 4.152 4.080 4.217 . 0 0 "[ . 1 . 2]" 1
615 1 24 PHE HB2 1 27 ALA MB 2.580 . 3.360 2.388 2.333 2.459 . 0 0 "[ . 1 . 2]" 1
616 1 24 PHE HB2 1 28 MET H 3.380 . 4.960 3.603 3.515 3.707 . 0 0 "[ . 1 . 2]" 1
617 1 24 PHE HB2 1 28 MET HG2 3.310 . 4.820 3.205 3.092 3.568 . 0 0 "[ . 1 . 2]" 1
618 1 24 PHE HB2 2 20 LEU MD1 2.725 . 3.650 2.898 2.812 3.001 . 0 0 "[ . 1 . 2]" 1
619 1 24 PHE HB2 2 31 LEU MD2 3.650 . 5.500 5.528 5.513 5.558 0.058 14 0 "[ . 1 . 2]" 1
620 1 24 PHE HB3 1 25 THR H 3.195 . 4.590 4.070 4.044 4.102 . 0 0 "[ . 1 . 2]" 1
621 1 24 PHE HB3 1 27 ALA H 3.000 . 4.200 3.073 2.952 3.120 . 0 0 "[ . 1 . 2]" 1
622 1 24 PHE HB3 1 27 ALA HA 3.500 . 5.200 4.679 4.622 4.758 . 0 0 "[ . 1 . 2]" 1
623 1 24 PHE HB3 1 27 ALA MB 2.460 . 3.120 2.040 1.981 2.118 . 0 0 "[ . 1 . 2]" 1
624 1 24 PHE HB3 1 28 MET H 3.200 . 4.600 3.761 3.693 3.858 . 0 0 "[ . 1 . 2]" 1
625 1 24 PHE HB3 1 28 MET QB 3.650 . 5.500 5.072 4.994 5.397 . 0 0 "[ . 1 . 2]" 1
626 1 24 PHE HB3 2 20 LEU MD1 2.845 . 3.890 2.717 2.655 2.789 . 0 0 "[ . 1 . 2]" 1
627 1 24 PHE HB3 2 31 LEU MD1 3.610 . 5.420 3.694 3.607 3.760 . 0 0 "[ . 1 . 2]" 1
628 1 24 PHE HB3 2 31 LEU MD2 3.650 . 5.500 4.243 4.207 4.273 . 0 0 "[ . 1 . 2]" 1
629 1 24 PHE QD 1 27 ALA MB 2.820 . 3.840 3.326 3.243 3.411 . 0 0 "[ . 1 . 2]" 1
630 1 24 PHE QD 2 16 GLU HA 2.655 . 3.510 2.248 2.081 2.412 . 0 0 "[ . 1 . 2]" 1
631 1 24 PHE QD 2 16 GLU HB2 2.920 . 4.040 3.573 3.466 3.636 . 0 0 "[ . 1 . 2]" 1
632 1 24 PHE QD 2 16 GLU QB 2.645 . 3.490 1.968 1.840 2.022 . 0 0 "[ . 1 . 2]" 1
633 1 24 PHE QD 2 16 GLU HB3 2.920 . 4.040 1.977 1.847 2.032 . 0 0 "[ . 1 . 2]" 1
634 1 24 PHE QD 2 16 GLU HG2 2.925 . 4.050 2.636 2.476 2.912 . 0 0 "[ . 1 . 2]" 1
635 1 24 PHE QD 2 16 GLU QG 2.675 . 3.550 2.600 2.448 2.853 . 0 0 "[ . 1 . 2]" 1
636 1 24 PHE QD 2 16 GLU HG3 2.925 . 4.050 3.978 3.851 4.086 0.036 10 0 "[ . 1 . 2]" 1
637 1 24 PHE QD 2 20 LEU HA 3.330 . 4.860 4.136 4.057 4.217 . 0 0 "[ . 1 . 2]" 1
638 1 24 PHE QD 2 20 LEU MD1 2.725 . 3.650 2.629 2.518 2.660 . 0 0 "[ . 1 . 2]" 1
639 1 24 PHE QD 2 31 LEU MD1 3.290 . 4.780 3.753 3.683 3.810 . 0 0 "[ . 1 . 2]" 1
640 1 24 PHE QD 2 31 LEU MD2 3.520 . 5.240 4.631 4.569 4.697 . 0 0 "[ . 1 . 2]" 1
641 1 24 PHE QE 1 27 ALA MB 3.650 . 5.500 4.891 4.827 4.976 . 0 0 "[ . 1 . 2]" 1
642 1 24 PHE QE 2 16 GLU HB2 3.545 . 5.290 5.282 5.184 5.329 0.039 2 0 "[ . 1 . 2]" 1
643 1 24 PHE QE 2 16 GLU HB3 3.545 . 5.290 4.067 3.939 4.163 . 0 0 "[ . 1 . 2]" 1
644 1 24 PHE QE 2 16 GLU QG 3.320 . 4.840 4.171 4.023 4.446 . 0 0 "[ . 1 . 2]" 1
645 1 24 PHE QE 2 19 SER HB2 2.635 . 3.470 1.772 1.730 1.815 0.070 2 0 "[ . 1 . 2]" 1
646 1 24 PHE QE 2 19 SER HB3 2.650 . 3.500 2.711 2.593 2.818 . 0 0 "[ . 1 . 2]" 1
647 1 24 PHE QE 2 20 LEU H 2.825 . 3.850 3.146 2.942 3.338 . 0 0 "[ . 1 . 2]" 1
648 1 24 PHE QE 2 20 LEU HA 2.825 . 3.850 3.050 2.984 3.140 . 0 0 "[ . 1 . 2]" 1
649 1 24 PHE QE 2 20 LEU HB2 2.940 . 4.080 3.415 3.340 3.606 . 0 0 "[ . 1 . 2]" 1
650 1 24 PHE QE 2 20 LEU HB3 3.515 . 5.230 4.776 4.703 4.940 . 0 0 "[ . 1 . 2]" 1
651 1 24 PHE QE 2 20 LEU MD1 2.800 . 3.800 3.090 3.003 3.124 . 0 0 "[ . 1 . 2]" 1
652 1 24 PHE QE 2 20 LEU MD2 3.355 . 4.910 4.982 4.944 5.013 0.103 20 0 "[ . 1 . 2]" 1
653 1 24 PHE HZ 2 19 SER HB2 3.180 . 4.560 3.541 3.399 3.670 . 0 0 "[ . 1 . 2]" 1
654 1 24 PHE HZ 2 19 SER HB3 2.715 . 3.630 3.089 2.884 3.190 . 0 0 "[ . 1 . 2]" 1
655 1 24 PHE HZ 2 20 LEU H 3.235 . 4.670 4.680 4.642 4.714 0.044 11 0 "[ . 1 . 2]" 1
656 1 24 PHE HZ 2 20 LEU HA 2.615 . 3.430 3.148 3.087 3.238 . 0 0 "[ . 1 . 2]" 1
657 1 24 PHE HZ 2 20 LEU MD1 2.850 . 3.900 3.632 3.587 3.687 . 0 0 "[ . 1 . 2]" 1
658 1 24 PHE HZ 2 21 ASP H 3.235 . 4.670 4.636 4.528 4.723 0.053 12 0 "[ . 1 . 2]" 1
659 1 25 THR H 1 25 THR HB 2.480 . 3.160 2.519 2.420 2.614 . 0 0 "[ . 1 . 2]" 1
660 1 25 THR H 1 25 THR MG 2.795 . 3.790 3.744 3.733 3.752 . 0 0 "[ . 1 . 2]" 1
661 1 25 THR H 1 26 HIS H 2.655 . 3.510 2.825 2.727 2.895 . 0 0 "[ . 1 . 2]" 1
662 1 25 THR H 1 27 ALA H 3.315 . 4.830 4.285 4.199 4.360 . 0 0 "[ . 1 . 2]" 1
663 1 25 THR H 1 27 ALA MB 3.485 . 5.170 4.826 4.741 4.939 . 0 0 "[ . 1 . 2]" 1
664 1 25 THR H 1 28 MET H 3.245 . 4.690 4.691 4.655 4.737 0.047 2 0 "[ . 1 . 2]" 1
665 1 25 THR H 2 16 GLU QG 3.125 . 4.450 3.718 3.595 3.858 . 0 0 "[ . 1 . 2]" 1
666 1 25 THR HA 1 25 THR MG 2.495 . 3.190 2.406 2.351 2.461 . 0 0 "[ . 1 . 2]" 1
667 1 25 THR HA 1 26 HIS HA 3.455 . 5.110 4.674 4.649 4.700 . 0 0 "[ . 1 . 2]" 1
668 1 25 THR HA 1 28 MET H 3.115 . 4.430 3.802 3.686 3.886 . 0 0 "[ . 1 . 2]" 1
669 1 25 THR HA 1 28 MET QB 2.710 . 3.620 2.761 2.580 2.977 . 0 0 "[ . 1 . 2]" 1
670 1 25 THR HA 1 28 MET HG2 3.545 . 5.290 4.820 4.581 5.287 . 0 0 "[ . 1 . 2]" 1
671 1 25 THR HA 1 28 MET HG3 3.330 . 4.860 3.821 3.476 4.013 . 0 0 "[ . 1 . 2]" 1
672 1 25 THR HA 1 29 GLN H 3.265 . 4.730 4.112 4.050 4.182 . 0 0 "[ . 1 . 2]" 1
673 1 25 THR HA 1 29 GLN QB 3.260 . 4.720 4.478 4.322 4.650 . 0 0 "[ . 1 . 2]" 1
674 1 25 THR HB 1 26 HIS H 2.865 . 3.930 2.446 2.320 2.606 . 0 0 "[ . 1 . 2]" 1
675 1 25 THR HB 1 26 HIS HA 3.340 . 4.880 4.193 4.079 4.288 . 0 0 "[ . 1 . 2]" 1
676 1 25 THR HB 1 26 HIS HB2 3.445 . 5.090 4.605 4.378 4.890 . 0 0 "[ . 1 . 2]" 1
677 1 25 THR HB 1 27 ALA H 3.650 . 5.500 4.903 4.781 5.053 . 0 0 "[ . 1 . 2]" 1
678 1 25 THR HB 1 28 MET H 3.650 . 5.500 5.518 5.495 5.545 0.045 11 0 "[ . 1 . 2]" 1
679 1 25 THR HB 1 28 MET QB 3.650 . 5.500 5.298 5.181 5.513 0.013 11 0 "[ . 1 . 2]" 1
680 1 25 THR HB 1 29 GLN QB 3.650 . 5.500 5.057 4.894 5.283 . 0 0 "[ . 1 . 2]" 1
681 1 25 THR MG 1 26 HIS H 2.905 . 4.010 3.270 3.242 3.307 . 0 0 "[ . 1 . 2]" 1
682 1 25 THR MG 1 26 HIS HB2 3.295 . 4.790 4.854 4.819 4.897 0.107 20 0 "[ . 1 . 2]" 1
683 1 25 THR MG 1 26 HIS HE1 2.900 . 4.000 3.880 3.654 4.025 0.025 19 0 "[ . 1 . 2]" 1
684 1 25 THR MG 1 27 ALA H 3.490 . 5.180 5.017 4.962 5.061 . 0 0 "[ . 1 . 2]" 1
685 1 25 THR MG 1 29 GLN H 3.205 . 4.610 4.046 3.951 4.112 . 0 0 "[ . 1 . 2]" 1
686 1 25 THR MG 1 29 GLN HA 3.420 . 5.040 5.100 5.072 5.135 0.095 7 0 "[ . 1 . 2]" 1
687 1 26 HIS H 1 26 HIS HB2 2.765 . 3.730 2.455 2.399 2.546 . 0 0 "[ . 1 . 2]" 1
688 1 26 HIS H 1 26 HIS HB3 2.910 . 4.020 3.596 3.590 3.612 . 0 0 "[ . 1 . 2]" 1
689 1 26 HIS H 1 26 HIS HD2 3.145 . 4.490 3.431 3.213 3.801 . 0 0 "[ . 1 . 2]" 1
690 1 26 HIS H 1 27 ALA H 2.725 . 3.650 2.561 2.529 2.598 . 0 0 "[ . 1 . 2]" 1
691 1 26 HIS H 1 27 ALA HA 3.650 . 5.500 5.194 5.164 5.218 . 0 0 "[ . 1 . 2]" 1
692 1 26 HIS H 1 27 ALA MB 3.130 . 4.460 4.206 4.164 4.235 . 0 0 "[ . 1 . 2]" 1
693 1 26 HIS H 1 28 MET H 3.295 . 4.790 3.961 3.859 4.024 . 0 0 "[ . 1 . 2]" 1
694 1 26 HIS H 1 29 GLN H 3.650 . 5.500 4.431 4.392 4.487 . 0 0 "[ . 1 . 2]" 1
695 1 26 HIS H 1 30 LEU MD1 3.650 . 5.500 5.528 5.255 5.562 0.062 7 0 "[ . 1 . 2]" 1
696 1 26 HIS H 2 13 LEU MD2 3.355 . 4.910 4.575 4.462 4.676 . 0 0 "[ . 1 . 2]" 1
697 1 26 HIS H 2 16 GLU HG2 3.650 . 5.500 4.366 4.189 4.494 . 0 0 "[ . 1 . 2]" 1
698 1 26 HIS H 2 16 GLU QG 3.320 . 4.840 3.903 3.860 3.960 . 0 0 "[ . 1 . 2]" 1
699 1 26 HIS H 2 16 GLU HG3 3.650 . 5.500 4.402 4.286 4.740 . 0 0 "[ . 1 . 2]" 1
700 1 26 HIS HA 1 28 MET H 3.410 . 5.020 4.249 4.230 4.277 . 0 0 "[ . 1 . 2]" 1
701 1 26 HIS HA 1 29 GLN H 2.960 . 4.120 3.089 3.007 3.222 . 0 0 "[ . 1 . 2]" 1
702 1 26 HIS HA 1 29 GLN HA 3.625 . 5.450 4.978 4.845 5.242 . 0 0 "[ . 1 . 2]" 1
703 1 26 HIS HA 1 29 GLN QB 2.665 . 3.530 2.116 1.911 2.993 . 0 0 "[ . 1 . 2]" 1
704 1 26 HIS HA 1 29 GLN HG2 3.245 . 4.690 3.974 2.006 4.438 . 0 0 "[ . 1 . 2]" 1
705 1 26 HIS HA 1 29 GLN HG3 3.525 . 5.250 4.796 3.602 5.298 0.048 20 0 "[ . 1 . 2]" 1
706 1 26 HIS HA 1 30 LEU H 3.395 . 4.990 3.699 3.554 3.848 . 0 0 "[ . 1 . 2]" 1
707 1 26 HIS HA 1 30 LEU MD1 3.480 . 5.160 4.263 3.816 4.339 . 0 0 "[ . 1 . 2]" 1
708 1 26 HIS HA 2 13 LEU MD2 3.080 . 4.360 4.145 3.842 4.327 . 0 0 "[ . 1 . 2]" 1
709 1 26 HIS HA 2 31 LEU MD2 3.460 . 5.120 4.601 4.327 4.681 . 0 0 "[ . 1 . 2]" 1
710 1 26 HIS HB2 1 26 HIS HD2 2.795 . 3.790 2.683 2.654 2.730 . 0 0 "[ . 1 . 2]" 1
711 1 26 HIS HB2 1 27 ALA H 3.010 . 4.220 2.632 2.505 2.724 . 0 0 "[ . 1 . 2]" 1
712 1 26 HIS HB2 1 27 ALA HA 3.650 . 5.500 4.408 4.278 4.505 . 0 0 "[ . 1 . 2]" 1
713 1 26 HIS HB2 1 28 MET H 3.650 . 5.500 5.001 4.885 5.087 . 0 0 "[ . 1 . 2]" 1
714 1 26 HIS HB2 1 29 GLN H 3.650 . 5.500 5.281 5.250 5.354 . 0 0 "[ . 1 . 2]" 1
715 1 26 HIS HB2 1 30 LEU MD1 3.330 . 4.860 3.952 3.768 4.031 . 0 0 "[ . 1 . 2]" 1
716 1 26 HIS HB2 2 13 LEU HA 3.345 . 4.890 3.389 3.148 3.514 . 0 0 "[ . 1 . 2]" 1
717 1 26 HIS HB2 2 13 LEU MD1 3.630 . 5.460 5.198 5.089 5.313 . 0 0 "[ . 1 . 2]" 1
718 1 26 HIS HB2 2 13 LEU MD2 2.660 . 3.520 2.447 2.330 2.559 . 0 0 "[ . 1 . 2]" 1
719 1 26 HIS HB2 2 31 LEU MD2 2.970 . 4.140 2.820 2.538 2.989 . 0 0 "[ . 1 . 2]" 1
720 1 26 HIS HB3 1 26 HIS HD2 2.700 . 3.600 3.626 3.494 3.672 0.072 19 0 "[ . 1 . 2]" 1
721 1 26 HIS HB3 1 27 ALA H 2.945 . 4.090 3.658 3.569 3.701 . 0 0 "[ . 1 . 2]" 1
722 1 26 HIS HB3 1 27 ALA HA 3.500 . 5.200 4.555 4.481 4.677 . 0 0 "[ . 1 . 2]" 1
723 1 26 HIS HB3 1 28 MET H 3.650 . 5.500 5.542 5.484 5.565 0.065 9 0 "[ . 1 . 2]" 1
724 1 26 HIS HB3 1 29 GLN H 3.650 . 5.500 5.065 4.996 5.215 . 0 0 "[ . 1 . 2]" 1
725 1 26 HIS HB3 1 30 LEU MD1 3.145 . 4.490 3.025 2.706 3.176 . 0 0 "[ . 1 . 2]" 1
726 1 26 HIS HB3 2 9 TYR QE 3.035 . 4.270 3.397 2.977 4.270 0.000 19 0 "[ . 1 . 2]" 1
727 1 26 HIS HB3 2 13 LEU HA 3.470 . 5.140 4.107 3.681 4.385 . 0 0 "[ . 1 . 2]" 1
728 1 26 HIS HB3 2 13 LEU MD1 3.645 . 5.490 4.481 4.304 4.690 . 0 0 "[ . 1 . 2]" 1
729 1 26 HIS HB3 2 13 LEU MD2 2.585 . 3.370 2.110 1.824 2.283 . 0 0 "[ . 1 . 2]" 1
730 1 26 HIS HB3 2 13 LEU HG 3.650 . 5.500 4.229 3.982 4.504 . 0 0 "[ . 1 . 2]" 1
731 1 26 HIS HB3 2 31 LEU MD1 3.650 . 5.500 5.501 5.150 5.574 0.074 20 0 "[ . 1 . 2]" 1
732 1 26 HIS HB3 2 31 LEU MD2 2.925 . 4.050 3.215 2.832 3.316 . 0 0 "[ . 1 . 2]" 1
733 1 26 HIS HD2 1 27 ALA H 3.650 . 5.500 4.912 4.577 5.161 . 0 0 "[ . 1 . 2]" 1
734 1 26 HIS HD2 2 12 GLU H 3.570 . 5.340 5.112 4.789 5.379 0.039 9 0 "[ . 1 . 2]" 1
735 1 26 HIS HD2 2 12 GLU HA 3.195 . 4.590 4.125 3.870 4.440 . 0 0 "[ . 1 . 2]" 1
736 1 26 HIS HD2 2 12 GLU HB2 2.600 . 3.400 2.902 2.363 3.434 0.034 20 0 "[ . 1 . 2]" 1
737 1 26 HIS HD2 2 12 GLU HB3 2.685 . 3.570 2.069 1.803 2.353 . 0 0 "[ . 1 . 2]" 1
738 1 26 HIS HD2 2 12 GLU HG2 3.650 . 5.500 4.829 4.477 5.279 . 0 0 "[ . 1 . 2]" 1
739 1 26 HIS HD2 2 12 GLU HG3 3.515 . 5.230 4.340 3.972 4.666 . 0 0 "[ . 1 . 2]" 1
740 1 26 HIS HD2 2 13 LEU HA 2.980 . 4.160 3.551 3.261 3.918 . 0 0 "[ . 1 . 2]" 1
741 1 26 HIS HD2 2 13 LEU MD1 3.650 . 5.500 5.327 4.866 5.568 0.068 18 0 "[ . 1 . 2]" 1
742 1 26 HIS HD2 2 13 LEU MD2 2.890 . 3.980 3.305 2.936 3.512 . 0 0 "[ . 1 . 2]" 1
743 1 26 HIS HD2 2 13 LEU HG 3.650 . 5.500 4.033 3.458 4.318 . 0 0 "[ . 1 . 2]" 1
744 1 26 HIS HE1 2 9 TYR QD 2.665 . 3.530 2.844 2.518 3.134 . 0 0 "[ . 1 . 2]" 1
745 1 26 HIS HE1 2 9 TYR QE 2.815 . 3.830 3.076 2.613 3.486 . 0 0 "[ . 1 . 2]" 1
746 1 26 HIS HE1 2 12 GLU HB2 3.500 . 5.200 4.962 4.319 5.283 0.083 10 0 "[ . 1 . 2]" 1
747 1 27 ALA H 1 27 ALA MB 2.470 . 3.140 2.209 2.195 2.222 . 0 0 "[ . 1 . 2]" 1
748 1 27 ALA H 1 28 MET H 2.775 . 3.750 2.672 2.655 2.692 . 0 0 "[ . 1 . 2]" 1
749 1 27 ALA H 1 28 MET QB 3.650 . 5.500 4.492 4.430 4.690 . 0 0 "[ . 1 . 2]" 1
750 1 27 ALA H 1 29 GLN H 3.555 . 5.310 3.991 3.919 4.113 . 0 0 "[ . 1 . 2]" 1
751 1 27 ALA H 1 30 LEU MD1 3.405 . 5.010 4.260 4.057 4.347 . 0 0 "[ . 1 . 2]" 1
752 1 27 ALA H 1 30 LEU HG 3.540 . 5.280 5.165 5.062 5.341 0.061 19 0 "[ . 1 . 2]" 1
753 1 27 ALA H 2 13 LEU MD2 3.375 . 4.950 4.370 4.221 4.547 . 0 0 "[ . 1 . 2]" 1
754 1 27 ALA H 2 16 GLU QB 3.565 . 5.330 3.321 3.279 3.383 . 0 0 "[ . 1 . 2]" 1
755 1 27 ALA H 2 16 GLU QG 3.375 . 4.950 4.168 4.097 4.342 . 0 0 "[ . 1 . 2]" 1
756 1 27 ALA H 2 20 LEU MD1 3.525 . 5.250 4.648 4.481 4.729 . 0 0 "[ . 1 . 2]" 1
757 1 27 ALA H 2 31 LEU MD1 3.400 . 5.000 3.728 3.555 3.768 . 0 0 "[ . 1 . 2]" 1
758 1 27 ALA H 2 31 LEU MD2 2.700 . 3.600 2.684 2.556 2.744 . 0 0 "[ . 1 . 2]" 1
759 1 27 ALA HA 1 28 MET HG2 3.640 . 5.480 5.557 5.524 5.610 0.130 11 0 "[ . 1 . 2]" 1
760 1 27 ALA HA 1 29 GLN H 3.545 . 5.290 4.400 4.321 4.485 . 0 0 "[ . 1 . 2]" 1
761 1 27 ALA HA 1 30 LEU H 3.015 . 4.230 3.643 3.597 3.729 . 0 0 "[ . 1 . 2]" 1
762 1 27 ALA HA 1 30 LEU HB2 2.725 . 3.650 3.132 3.049 3.230 . 0 0 "[ . 1 . 2]" 1
763 1 27 ALA HA 1 30 LEU MD1 2.640 . 3.480 2.844 2.686 2.959 . 0 0 "[ . 1 . 2]" 1
764 1 27 ALA HA 1 31 LEU H 3.160 . 4.520 4.212 4.173 4.252 . 0 0 "[ . 1 . 2]" 1
765 1 27 ALA HA 2 20 LEU MD1 3.650 . 5.500 4.671 4.581 4.731 . 0 0 "[ . 1 . 2]" 1
766 1 27 ALA HA 2 27 ALA MB 3.200 . 4.600 4.163 3.938 4.282 . 0 0 "[ . 1 . 2]" 1
767 1 27 ALA HA 2 31 LEU MD1 2.700 . 3.600 3.129 2.983 3.259 . 0 0 "[ . 1 . 2]" 1
768 1 27 ALA HA 2 31 LEU MD2 2.810 . 3.820 2.588 2.502 2.662 . 0 0 "[ . 1 . 2]" 1
769 1 27 ALA HA 2 31 LEU HG 2.970 . 4.140 2.465 2.253 2.594 . 0 0 "[ . 1 . 2]" 1
770 1 27 ALA MB 1 28 MET H 2.590 . 3.380 2.453 2.425 2.481 . 0 0 "[ . 1 . 2]" 1
771 1 27 ALA MB 1 28 MET HA 2.875 . 3.950 3.822 3.793 3.846 . 0 0 "[ . 1 . 2]" 1
772 1 27 ALA MB 1 28 MET QB 3.085 . 4.370 4.050 4.014 4.181 . 0 0 "[ . 1 . 2]" 1
773 1 27 ALA MB 1 28 MET HG2 2.645 . 3.490 3.371 3.327 3.499 0.009 2 0 "[ . 1 . 2]" 1
774 1 27 ALA MB 1 30 LEU H 3.470 . 5.140 4.755 4.727 4.813 . 0 0 "[ . 1 . 2]" 1
775 1 27 ALA MB 1 31 LEU H 3.480 . 5.160 4.843 4.789 4.898 . 0 0 "[ . 1 . 2]" 1
776 1 27 ALA MB 2 16 GLU HB2 3.360 . 4.920 3.611 3.477 3.758 . 0 0 "[ . 1 . 2]" 1
777 1 27 ALA MB 2 16 GLU QB 3.055 . 4.310 2.630 2.494 2.795 . 0 0 "[ . 1 . 2]" 1
778 1 27 ALA MB 2 16 GLU HB3 3.360 . 4.920 2.703 2.551 2.884 . 0 0 "[ . 1 . 2]" 1
779 1 27 ALA MB 2 16 GLU QG 3.570 . 5.340 4.118 4.014 4.319 . 0 0 "[ . 1 . 2]" 1
780 1 27 ALA MB 2 20 LEU MD1 2.500 . 3.200 2.338 2.268 2.374 . 0 0 "[ . 1 . 2]" 1
781 1 27 ALA MB 2 20 LEU MD2 2.620 . 3.440 2.370 2.259 2.480 . 0 0 "[ . 1 . 2]" 1
782 1 27 ALA MB 2 27 ALA HA 3.200 . 4.600 4.159 3.935 4.279 . 0 0 "[ . 1 . 2]" 1
783 1 27 ALA MB 2 31 LEU HB2 3.135 . 4.470 4.478 4.401 4.508 0.038 11 0 "[ . 1 . 2]" 1
784 1 27 ALA MB 2 31 LEU HB3 3.235 . 4.670 4.718 4.699 4.744 0.074 10 0 "[ . 1 . 2]" 1
785 1 27 ALA MB 2 31 LEU MD1 2.340 . 2.880 1.714 1.700 1.725 0.100 11 0 "[ . 1 . 2]" 1
786 1 27 ALA MB 2 31 LEU HG 3.050 . 4.300 2.817 2.735 2.910 . 0 0 "[ . 1 . 2]" 1
787 1 28 MET H 1 28 MET QB 2.440 . 3.080 2.223 2.188 2.419 . 0 0 "[ . 1 . 2]" 1
788 1 28 MET H 1 28 MET HG2 3.280 . 4.760 2.820 2.766 3.017 . 0 0 "[ . 1 . 2]" 1
789 1 28 MET H 1 28 MET HG3 3.050 . 4.300 3.479 2.614 3.605 . 0 0 "[ . 1 . 2]" 1
790 1 28 MET H 1 29 GLN H 2.540 . 3.280 2.535 2.484 2.599 . 0 0 "[ . 1 . 2]" 1
791 1 28 MET H 1 29 GLN QB 3.490 . 5.180 4.249 4.130 4.626 . 0 0 "[ . 1 . 2]" 1
792 1 28 MET H 1 30 LEU MD1 3.650 . 5.500 5.386 5.160 5.510 0.010 7 0 "[ . 1 . 2]" 1
793 1 28 MET H 1 31 LEU MD1 3.135 . 4.470 4.495 4.459 4.519 0.049 1 0 "[ . 1 . 2]" 1
794 1 28 MET H 2 20 LEU MD1 3.400 . 5.000 4.852 4.804 4.893 . 0 0 "[ . 1 . 2]" 1
795 1 28 MET HA 1 28 MET ME 2.350 . 2.900 1.889 1.742 2.982 0.082 11 0 "[ . 1 . 2]" 1
796 1 28 MET HA 1 28 MET HG2 2.875 . 3.950 2.489 2.297 2.546 . 0 0 "[ . 1 . 2]" 1
797 1 28 MET HA 1 28 MET HG3 2.930 . 4.060 3.651 3.471 3.685 . 0 0 "[ . 1 . 2]" 1
798 1 28 MET HA 1 31 LEU H 3.120 . 4.440 3.654 3.589 3.704 . 0 0 "[ . 1 . 2]" 1
799 1 28 MET HA 1 31 LEU HB2 3.055 . 4.310 2.758 2.724 2.783 . 0 0 "[ . 1 . 2]" 1
800 1 28 MET HA 1 31 LEU HB3 3.030 . 4.260 4.291 4.271 4.305 0.045 11 0 "[ . 1 . 2]" 1
801 1 28 MET HA 1 31 LEU MD1 2.710 . 3.620 2.558 2.487 2.604 . 0 0 "[ . 1 . 2]" 1
802 1 28 MET HA 1 31 LEU HG 3.535 . 5.270 4.155 4.041 4.217 . 0 0 "[ . 1 . 2]" 1
803 1 28 MET HA 2 20 LEU MD1 3.650 . 5.500 5.536 5.494 5.558 0.058 5 0 "[ . 1 . 2]" 1
804 1 28 MET QB 1 29 GLN H 2.615 . 3.430 2.671 2.605 2.724 . 0 0 "[ . 1 . 2]" 1
805 1 28 MET QB 1 29 GLN QB 2.965 . 4.130 3.912 3.779 4.018 . 0 0 "[ . 1 . 2]" 1
806 1 28 MET QB 1 31 LEU MD1 3.340 . 4.880 4.394 4.253 4.438 . 0 0 "[ . 1 . 2]" 1
807 1 28 MET QB 2 20 LEU MD1 3.650 . 5.500 5.737 5.716 5.807 0.307 11 0 "[ . 1 . 2]" 1
808 1 28 MET HG2 1 29 GLN H 3.335 . 4.870 4.657 4.602 4.722 . 0 0 "[ . 1 . 2]" 1
809 1 28 MET HG2 1 31 LEU MD1 3.410 . 5.020 3.805 3.472 3.892 . 0 0 "[ . 1 . 2]" 1
810 1 29 GLN H 1 29 GLN QB 2.410 . 3.020 2.152 2.067 2.345 . 0 0 "[ . 1 . 2]" 1
811 1 29 GLN H 1 29 GLN HG2 3.060 . 4.320 4.090 2.597 4.235 . 0 0 "[ . 1 . 2]" 1
812 1 29 GLN H 1 29 GLN HG3 3.215 . 4.630 4.530 3.797 4.620 . 0 0 "[ . 1 . 2]" 1
813 1 29 GLN H 1 30 LEU H 2.595 . 3.390 2.676 2.603 2.696 . 0 0 "[ . 1 . 2]" 1
814 1 29 GLN H 1 30 LEU HB2 3.350 . 4.900 4.886 4.724 4.908 0.008 2 0 "[ . 1 . 2]" 1
815 1 29 GLN HA 1 29 GLN HG2 2.775 . 3.750 3.372 3.106 3.797 0.047 19 0 "[ . 1 . 2]" 1
816 1 29 GLN HA 1 29 GLN HG3 2.750 . 3.700 2.964 2.784 3.669 . 0 0 "[ . 1 . 2]" 1
817 1 29 GLN HA 1 32 THR H 2.945 . 4.090 3.305 3.213 3.434 . 0 0 "[ . 1 . 2]" 1
818 1 29 GLN HA 1 32 THR HB 2.650 . 3.500 2.587 2.463 2.733 . 0 0 "[ . 1 . 2]" 1
819 1 29 GLN HA 1 32 THR MG 3.095 . 4.390 3.918 3.781 4.074 . 0 0 "[ . 1 . 2]" 1
820 1 29 GLN QB 1 29 GLN HE21 3.650 . 5.500 2.893 1.770 3.802 0.030 17 0 "[ . 1 . 2]" 1
821 1 29 GLN QB 1 29 GLN HE22 3.650 . 5.500 3.658 3.195 4.067 . 0 0 "[ . 1 . 2]" 1
822 1 29 GLN QB 1 30 LEU H 2.695 . 3.590 2.785 2.674 3.386 . 0 0 "[ . 1 . 2]" 1
823 1 29 GLN QB 1 30 LEU HB2 3.520 . 5.240 4.977 4.844 5.406 0.166 19 0 "[ . 1 . 2]" 1
824 1 29 GLN QB 1 30 LEU MD1 3.270 . 4.740 4.656 4.468 4.956 0.216 19 0 "[ . 1 . 2]" 1
825 1 29 GLN QB 1 30 LEU MD2 3.165 . 4.530 4.370 4.263 4.515 . 0 0 "[ . 1 . 2]" 1
826 1 29 GLN QB 1 30 LEU HG 2.870 . 3.940 3.570 3.388 4.028 0.088 19 0 "[ . 1 . 2]" 1
827 1 29 GLN QB 1 31 LEU H 3.650 . 5.500 4.823 4.764 5.132 . 0 0 "[ . 1 . 2]" 1
828 1 29 GLN QB 1 32 THR H 3.490 . 5.180 4.896 4.835 4.976 . 0 0 "[ . 1 . 2]" 1
829 1 29 GLN QB 1 32 THR HB 3.420 . 5.040 4.425 4.085 4.646 . 0 0 "[ . 1 . 2]" 1
830 1 29 GLN QB 2 13 LEU MD2 3.650 . 5.500 5.285 5.056 5.666 0.166 19 0 "[ . 1 . 2]" 1
831 1 29 GLN HG2 1 30 LEU H 3.325 . 4.850 3.104 2.178 3.277 . 0 0 "[ . 1 . 2]" 1
832 1 29 GLN HG2 1 30 LEU HG 2.730 . 3.660 3.243 2.221 3.467 . 0 0 "[ . 1 . 2]" 1
833 1 29 GLN HG3 1 30 LEU H 3.365 . 4.930 4.321 2.650 4.585 . 0 0 "[ . 1 . 2]" 1
834 1 29 GLN HG3 1 30 LEU HG 3.365 . 4.930 4.850 2.227 5.041 0.111 15 0 "[ . 1 . 2]" 1
835 1 29 GLN HG3 1 33 ALA H 3.500 . 5.200 4.633 4.372 5.058 . 0 0 "[ . 1 . 2]" 1
836 1 30 LEU H 1 30 LEU HB2 2.925 . 4.050 2.474 2.381 2.501 . 0 0 "[ . 1 . 2]" 1
837 1 30 LEU H 1 30 LEU HB3 2.825 . 3.850 3.597 3.547 3.609 . 0 0 "[ . 1 . 2]" 1
838 1 30 LEU H 1 30 LEU MD1 2.800 . 3.800 3.397 3.234 3.484 . 0 0 "[ . 1 . 2]" 1
839 1 30 LEU H 1 30 LEU MD2 2.785 . 3.770 3.553 3.504 3.602 . 0 0 "[ . 1 . 2]" 1
840 1 30 LEU H 1 30 LEU HG 2.465 . 3.130 2.277 2.241 2.316 . 0 0 "[ . 1 . 2]" 1
841 1 30 LEU H 1 31 LEU H 2.625 . 3.450 2.635 2.611 2.646 . 0 0 "[ . 1 . 2]" 1
842 1 30 LEU H 1 31 LEU HA 3.545 . 5.290 5.286 5.272 5.294 0.004 14 0 "[ . 1 . 2]" 1
843 1 30 LEU H 1 31 LEU HB2 3.595 . 5.390 4.588 4.509 4.628 . 0 0 "[ . 1 . 2]" 1
844 1 30 LEU H 1 31 LEU MD1 3.650 . 5.500 5.345 5.299 5.370 . 0 0 "[ . 1 . 2]" 1
845 1 30 LEU H 1 31 LEU HG 3.610 . 5.420 5.050 4.988 5.125 . 0 0 "[ . 1 . 2]" 1
846 1 30 LEU H 1 32 THR H 3.160 . 4.520 3.961 3.890 4.014 . 0 0 "[ . 1 . 2]" 1
847 1 30 LEU H 1 33 ALA MB 3.635 . 5.470 4.763 4.675 4.842 . 0 0 "[ . 1 . 2]" 1
848 1 30 LEU H 2 13 LEU MD2 3.630 . 5.460 5.364 5.278 5.483 0.023 10 0 "[ . 1 . 2]" 1
849 1 30 LEU H 2 31 LEU MD2 3.630 . 5.460 4.895 4.801 4.973 . 0 0 "[ . 1 . 2]" 1
850 1 30 LEU HA 1 30 LEU MD1 2.885 . 3.970 3.889 3.865 3.898 . 0 0 "[ . 1 . 2]" 1
851 1 30 LEU HA 1 30 LEU MD2 2.340 . 2.880 2.120 2.069 2.150 . 0 0 "[ . 1 . 2]" 1
852 1 30 LEU HA 1 30 LEU HG 2.690 . 3.580 2.885 2.790 2.940 . 0 0 "[ . 1 . 2]" 1
853 1 30 LEU HA 1 33 ALA H 3.045 . 4.290 3.265 3.161 3.381 . 0 0 "[ . 1 . 2]" 1
854 1 30 LEU HA 1 33 ALA MB 2.680 . 3.560 2.643 2.505 2.754 . 0 0 "[ . 1 . 2]" 1
855 1 30 LEU HB2 1 30 LEU MD1 2.690 . 3.580 2.258 2.233 2.281 . 0 0 "[ . 1 . 2]" 1
856 1 30 LEU HB2 1 30 LEU MD2 2.540 . 3.280 3.182 3.173 3.194 . 0 0 "[ . 1 . 2]" 1
857 1 30 LEU HB2 1 31 LEU H 2.515 . 3.230 2.844 2.811 2.870 . 0 0 "[ . 1 . 2]" 1
858 1 30 LEU HB3 1 30 LEU MD1 2.565 . 3.330 2.501 2.472 2.547 . 0 0 "[ . 1 . 2]" 1
859 1 30 LEU HB3 1 30 LEU MD2 2.515 . 3.230 2.271 2.252 2.297 . 0 0 "[ . 1 . 2]" 1
860 1 30 LEU HB3 1 31 LEU H 2.890 . 3.980 3.803 3.773 3.821 . 0 0 "[ . 1 . 2]" 1
861 1 30 LEU MD1 1 31 LEU H 3.335 . 4.870 4.579 4.505 4.618 . 0 0 "[ . 1 . 2]" 1
862 1 30 LEU MD1 2 9 TYR QE 3.230 . 4.660 4.329 3.959 4.657 . 0 0 "[ . 1 . 2]" 1
863 1 30 LEU MD1 2 13 LEU MD2 2.655 . 3.510 2.302 2.134 2.449 . 0 0 "[ . 1 . 2]" 1
864 1 30 LEU MD1 2 31 LEU H 2.985 . 4.170 3.625 3.490 3.797 . 0 0 "[ . 1 . 2]" 1
865 1 30 LEU MD1 2 31 LEU HA 2.515 . 3.230 2.384 2.234 2.531 . 0 0 "[ . 1 . 2]" 1
866 1 30 LEU MD1 2 31 LEU MD2 2.400 . 3.000 2.243 2.168 2.357 . 0 0 "[ . 1 . 2]" 1
867 1 30 LEU MD1 2 31 LEU HG 2.875 . 3.950 2.972 2.848 3.086 . 0 0 "[ . 1 . 2]" 1
868 1 30 LEU MD1 2 32 THR H 3.650 . 5.500 4.845 4.667 4.987 . 0 0 "[ . 1 . 2]" 1
869 1 30 LEU MD1 2 33 ALA H 3.650 . 5.500 5.121 4.900 5.270 . 0 0 "[ . 1 . 2]" 1
870 1 30 LEU MD1 2 34 GLU H 3.060 . 4.320 3.729 3.520 3.860 . 0 0 "[ . 1 . 2]" 1
871 1 30 LEU MD1 2 34 GLU HB2 2.355 . 2.910 2.597 2.432 2.770 . 0 0 "[ . 1 . 2]" 1
872 1 30 LEU MD1 2 35 ILE H 3.540 . 5.280 4.767 4.552 4.919 . 0 0 "[ . 1 . 2]" 1
873 1 30 LEU MD2 1 31 LEU H 3.420 . 5.040 4.804 4.785 4.829 . 0 0 "[ . 1 . 2]" 1
874 1 30 LEU MD2 1 33 ALA H 3.500 . 5.200 4.835 4.731 4.930 . 0 0 "[ . 1 . 2]" 1
875 1 30 LEU MD2 1 34 GLU H 3.585 . 5.370 5.050 4.922 5.157 . 0 0 "[ . 1 . 2]" 1
876 1 30 LEU MD2 2 13 LEU MD2 2.855 . 3.910 3.608 3.471 3.756 . 0 0 "[ . 1 . 2]" 1
877 1 30 LEU MD2 2 31 LEU HA 3.395 . 4.990 4.599 4.367 4.778 . 0 0 "[ . 1 . 2]" 1
878 1 30 LEU MD2 2 34 GLU H 3.650 . 5.500 4.593 4.215 4.833 . 0 0 "[ . 1 . 2]" 1
879 1 30 LEU HG 1 31 LEU H 3.275 . 4.750 4.446 4.421 4.470 . 0 0 "[ . 1 . 2]" 1
880 1 31 LEU H 1 31 LEU HB2 2.505 . 3.210 2.251 2.226 2.272 . 0 0 "[ . 1 . 2]" 1
881 1 31 LEU H 1 31 LEU HB3 2.735 . 3.670 3.530 3.515 3.546 . 0 0 "[ . 1 . 2]" 1
882 1 31 LEU H 1 31 LEU MD1 2.705 . 3.610 3.619 3.589 3.641 0.031 13 0 "[ . 1 . 2]" 1
883 1 31 LEU H 1 31 LEU MD2 3.030 . 4.260 3.890 3.842 3.926 . 0 0 "[ . 1 . 2]" 1
884 1 31 LEU H 1 31 LEU HG 2.665 . 3.530 2.840 2.786 2.891 . 0 0 "[ . 1 . 2]" 1
885 1 31 LEU H 1 32 THR H 2.685 . 3.570 2.485 2.462 2.534 . 0 0 "[ . 1 . 2]" 1
886 1 31 LEU H 1 32 THR HA 3.650 . 5.500 5.105 5.083 5.141 . 0 0 "[ . 1 . 2]" 1
887 1 31 LEU H 1 33 ALA H 2.960 . 4.120 4.148 4.115 4.172 0.052 13 0 "[ . 1 . 2]" 1
888 1 31 LEU H 1 33 ALA MB 3.650 . 5.500 4.898 4.808 4.945 . 0 0 "[ . 1 . 2]" 1
889 1 31 LEU H 2 30 LEU MD1 2.985 . 4.170 3.623 3.501 3.771 . 0 0 "[ . 1 . 2]" 1
890 1 31 LEU HA 1 31 LEU MD2 2.410 . 3.020 2.076 2.050 2.108 . 0 0 "[ . 1 . 2]" 1
891 1 31 LEU HA 1 31 LEU HG 2.765 . 3.730 2.832 2.809 2.868 . 0 0 "[ . 1 . 2]" 1
892 1 31 LEU HA 1 34 GLU H 3.240 . 4.680 3.802 3.689 3.892 . 0 0 "[ . 1 . 2]" 1
893 1 31 LEU HA 1 35 ILE HG13 3.650 . 5.500 4.049 3.944 4.114 . 0 0 "[ . 1 . 2]" 1
894 1 31 LEU HA 2 30 LEU MD1 2.515 . 3.230 2.380 2.221 2.524 . 0 0 "[ . 1 . 2]" 1
895 1 31 LEU HA 2 30 LEU MD2 3.395 . 4.990 4.593 4.356 4.778 . 0 0 "[ . 1 . 2]" 1
896 1 31 LEU HB2 1 31 LEU MD1 2.535 . 3.270 2.221 2.194 2.245 . 0 0 "[ . 1 . 2]" 1
897 1 31 LEU HB2 1 31 LEU MD2 2.620 . 3.440 3.182 3.175 3.187 . 0 0 "[ . 1 . 2]" 1
898 1 31 LEU HB2 1 32 THR H 2.755 . 3.710 2.736 2.688 2.786 . 0 0 "[ . 1 . 2]" 1
899 1 31 LEU HB2 1 33 ALA H 3.555 . 5.310 5.166 5.134 5.193 . 0 0 "[ . 1 . 2]" 1
900 1 31 LEU HB2 1 35 ILE MD 3.380 . 4.960 4.538 4.352 4.637 . 0 0 "[ . 1 . 2]" 1
901 1 31 LEU HB2 2 27 ALA MB 3.135 . 4.470 4.482 4.394 4.502 0.032 3 0 "[ . 1 . 2]" 1
902 1 31 LEU HB3 1 31 LEU MD1 2.650 . 3.500 2.419 2.384 2.443 . 0 0 "[ . 1 . 2]" 1
903 1 31 LEU HB3 1 31 LEU MD2 2.620 . 3.440 2.295 2.272 2.309 . 0 0 "[ . 1 . 2]" 1
904 1 31 LEU HB3 1 32 THR H 2.765 . 3.730 3.429 3.375 3.465 . 0 0 "[ . 1 . 2]" 1
905 1 31 LEU HB3 1 35 ILE MD 2.855 . 3.910 3.266 3.069 3.347 . 0 0 "[ . 1 . 2]" 1
906 1 31 LEU HB3 2 27 ALA MB 3.235 . 4.670 4.721 4.700 4.740 0.070 14 0 "[ . 1 . 2]" 1
907 1 31 LEU MD1 1 32 THR H 3.210 . 4.620 4.539 4.509 4.589 . 0 0 "[ . 1 . 2]" 1
908 1 31 LEU MD1 2 20 LEU MD2 3.010 . 4.220 3.904 3.695 3.995 . 0 0 "[ . 1 . 2]" 1
909 1 31 LEU MD1 2 24 PHE HB3 3.610 . 5.420 3.699 3.591 3.764 . 0 0 "[ . 1 . 2]" 1
910 1 31 LEU MD1 2 24 PHE QD 3.290 . 4.780 3.759 3.687 3.797 . 0 0 "[ . 1 . 2]" 1
911 1 31 LEU MD1 2 26 HIS HB3 3.650 . 5.500 5.497 5.131 5.561 0.061 20 0 "[ . 1 . 2]" 1
912 1 31 LEU MD1 2 27 ALA H 3.400 . 5.000 3.727 3.534 3.781 . 0 0 "[ . 1 . 2]" 1
913 1 31 LEU MD1 2 27 ALA HA 2.700 . 3.600 3.124 2.989 3.235 . 0 0 "[ . 1 . 2]" 1
914 1 31 LEU MD1 2 27 ALA MB 2.340 . 2.880 1.714 1.684 1.730 0.116 11 0 "[ . 1 . 2]" 1
915 1 31 LEU MD2 1 35 ILE MD 2.710 . 3.620 3.602 3.430 3.649 0.029 7 0 "[ . 1 . 2]" 1
916 1 31 LEU MD2 2 24 PHE HB2 3.650 . 5.500 5.531 5.509 5.572 0.072 14 0 "[ . 1 . 2]" 1
917 1 31 LEU MD2 2 24 PHE HB3 3.650 . 5.500 4.248 4.197 4.290 . 0 0 "[ . 1 . 2]" 1
918 1 31 LEU MD2 2 24 PHE QD 3.520 . 5.240 4.636 4.566 4.690 . 0 0 "[ . 1 . 2]" 1
919 1 31 LEU MD2 2 26 HIS HA 3.460 . 5.120 4.599 4.301 4.685 . 0 0 "[ . 1 . 2]" 1
920 1 31 LEU MD2 2 26 HIS HB2 2.970 . 4.140 2.820 2.513 2.979 . 0 0 "[ . 1 . 2]" 1
921 1 31 LEU MD2 2 26 HIS HB3 2.925 . 4.050 3.212 2.806 3.303 . 0 0 "[ . 1 . 2]" 1
922 1 31 LEU MD2 2 27 ALA H 2.700 . 3.600 2.686 2.524 2.752 . 0 0 "[ . 1 . 2]" 1
923 1 31 LEU MD2 2 27 ALA HA 2.810 . 3.820 2.586 2.514 2.648 . 0 0 "[ . 1 . 2]" 1
924 1 31 LEU MD2 2 30 LEU H 3.630 . 5.460 4.892 4.806 4.957 . 0 0 "[ . 1 . 2]" 1
925 1 31 LEU MD2 2 30 LEU MD1 2.400 . 3.000 2.238 2.153 2.355 . 0 0 "[ . 1 . 2]" 1
926 1 31 LEU HG 1 32 THR H 3.415 . 5.030 4.664 4.614 4.713 . 0 0 "[ . 1 . 2]" 1
927 1 31 LEU HG 2 27 ALA HA 2.970 . 4.140 2.466 2.241 2.594 . 0 0 "[ . 1 . 2]" 1
928 1 31 LEU HG 2 27 ALA MB 3.050 . 4.300 2.824 2.742 2.883 . 0 0 "[ . 1 . 2]" 1
929 1 31 LEU HG 2 30 LEU MD1 2.875 . 3.950 2.965 2.839 3.060 . 0 0 "[ . 1 . 2]" 1
930 1 32 THR H 1 32 THR HB 2.675 . 3.550 2.459 2.399 2.502 . 0 0 "[ . 1 . 2]" 1
931 1 32 THR H 1 32 THR MG 2.965 . 4.130 3.755 3.745 3.763 . 0 0 "[ . 1 . 2]" 1
932 1 32 THR H 1 33 ALA MB 3.050 . 4.300 4.224 4.131 4.290 . 0 0 "[ . 1 . 2]" 1
933 1 32 THR H 2 30 LEU MD1 3.650 . 5.500 4.843 4.680 4.976 . 0 0 "[ . 1 . 2]" 1
934 1 32 THR HA 1 32 THR MG 2.450 . 3.100 2.452 2.418 2.522 . 0 0 "[ . 1 . 2]" 1
935 1 32 THR HA 1 35 ILE H 3.160 . 4.520 3.779 3.564 4.055 . 0 0 "[ . 1 . 2]" 1
936 1 32 THR HA 1 35 ILE HB 2.845 . 3.890 3.011 2.768 3.350 . 0 0 "[ . 1 . 2]" 1
937 1 32 THR HA 1 35 ILE MD 2.600 . 3.400 2.632 2.439 2.854 . 0 0 "[ . 1 . 2]" 1
938 1 32 THR HA 1 35 ILE HG13 3.650 . 5.500 3.854 3.640 4.076 . 0 0 "[ . 1 . 2]" 1
939 1 32 THR HA 1 35 ILE MG 3.285 . 4.770 4.239 4.064 4.493 . 0 0 "[ . 1 . 2]" 1
940 1 32 THR HA 1 36 GLU HG3 3.640 . 5.480 4.311 4.138 4.593 . 0 0 "[ . 1 . 2]" 1
941 1 32 THR HB 1 33 ALA H 2.610 . 3.420 2.513 2.431 2.664 . 0 0 "[ . 1 . 2]" 1
942 1 32 THR HB 1 33 ALA MB 3.260 . 4.720 3.847 3.733 4.039 . 0 0 "[ . 1 . 2]" 1
943 1 32 THR MG 1 33 ALA H 2.610 . 3.420 3.300 3.253 3.328 . 0 0 "[ . 1 . 2]" 1
944 1 32 THR MG 1 33 ALA HA 3.045 . 4.290 3.276 3.218 3.313 . 0 0 "[ . 1 . 2]" 1
945 1 32 THR MG 1 33 ALA MB 2.815 . 3.830 3.919 3.887 3.962 0.132 13 0 "[ . 1 . 2]" 1
946 1 32 THR MG 1 35 ILE MD 3.125 . 4.450 4.082 3.872 4.297 . 0 0 "[ . 1 . 2]" 1
947 1 32 THR MG 1 36 GLU H 3.325 . 4.850 4.137 4.010 4.467 . 0 0 "[ . 1 . 2]" 1
948 1 32 THR MG 1 36 GLU HB3 3.650 . 5.500 5.186 4.988 5.537 0.037 20 0 "[ . 1 . 2]" 1
949 1 32 THR MG 1 36 GLU HG2 3.130 . 4.460 3.722 3.512 4.156 . 0 0 "[ . 1 . 2]" 1
950 1 32 THR MG 1 36 GLU HG3 2.670 . 3.540 2.760 2.608 3.077 . 0 0 "[ . 1 . 2]" 1
951 1 33 ALA H 1 33 ALA MB 2.365 . 2.930 2.201 2.188 2.213 . 0 0 "[ . 1 . 2]" 1
952 1 33 ALA H 1 34 GLU H 2.550 . 3.300 2.776 2.752 2.802 . 0 0 "[ . 1 . 2]" 1
953 1 33 ALA H 2 30 LEU MD1 3.650 . 5.500 5.121 4.920 5.289 . 0 0 "[ . 1 . 2]" 1
954 1 33 ALA HA 1 36 GLU H 3.010 . 4.220 3.386 3.321 3.437 . 0 0 "[ . 1 . 2]" 1
955 1 33 ALA HA 1 36 GLU HB2 2.745 . 3.690 2.720 2.531 2.857 . 0 0 "[ . 1 . 2]" 1
956 1 33 ALA HA 1 36 GLU HB3 3.005 . 4.210 4.209 4.083 4.278 0.068 1 0 "[ . 1 . 2]" 1
957 1 33 ALA HA 1 36 GLU HG3 3.070 . 4.340 2.837 2.559 3.226 . 0 0 "[ . 1 . 2]" 1
958 1 33 ALA HA 1 37 LYS H 3.210 . 4.620 4.372 4.192 4.629 0.009 20 0 "[ . 1 . 2]" 1
959 1 33 ALA MB 1 34 GLU H 2.575 . 3.350 2.444 2.421 2.470 . 0 0 "[ . 1 . 2]" 1
960 1 33 ALA MB 1 36 GLU H 3.335 . 4.870 4.500 4.420 4.559 . 0 0 "[ . 1 . 2]" 1
961 1 34 GLU H 1 34 GLU HB2 2.550 . 3.300 2.408 2.321 2.482 . 0 0 "[ . 1 . 2]" 1
962 1 34 GLU H 1 34 GLU HB3 2.565 . 3.330 2.684 2.545 2.762 . 0 0 "[ . 1 . 2]" 1
963 1 34 GLU H 1 34 GLU HG2 3.235 . 4.670 4.622 4.591 4.655 . 0 0 "[ . 1 . 2]" 1
964 1 34 GLU H 1 34 GLU HG3 3.180 . 4.560 4.504 4.472 4.532 . 0 0 "[ . 1 . 2]" 1
965 1 34 GLU H 1 35 ILE H 2.700 . 3.600 2.695 2.657 2.720 . 0 0 "[ . 1 . 2]" 1
966 1 34 GLU H 2 30 LEU MD1 3.060 . 4.320 3.733 3.519 3.885 . 0 0 "[ . 1 . 2]" 1
967 1 34 GLU H 2 30 LEU MD2 3.650 . 5.500 4.593 4.207 4.836 . 0 0 "[ . 1 . 2]" 1
968 1 34 GLU HA 1 37 LYS H 2.925 . 4.050 3.283 3.164 3.395 . 0 0 "[ . 1 . 2]" 1
969 1 34 GLU HA 1 37 LYS QB 2.625 . 3.450 2.679 2.276 3.095 . 0 0 "[ . 1 . 2]" 1
970 1 34 GLU HA 1 37 LYS QD 2.865 . 3.930 2.688 1.748 4.015 0.085 4 0 "[ . 1 . 2]" 1
971 1 34 GLU HA 1 37 LYS QG 3.380 . 4.960 3.691 2.323 4.799 . 0 0 "[ . 1 . 2]" 1
972 1 34 GLU HA 1 38 ILE MD 3.395 . 4.990 4.950 4.855 5.042 0.052 20 0 "[ . 1 . 2]" 1
973 1 34 GLU QB 2 30 LEU MD1 2.340 . 2.880 2.416 2.248 2.528 . 0 0 "[ . 1 . 2]" 1
974 1 34 GLU HB2 1 35 ILE H 2.815 . 3.830 3.785 3.707 3.864 0.034 4 0 "[ . 1 . 2]" 1
975 1 34 GLU HB2 1 35 ILE HA 3.650 . 5.500 5.589 5.562 5.620 0.120 4 0 "[ . 1 . 2]" 1
976 1 34 GLU HB3 1 38 ILE MD 3.180 . 4.560 4.472 4.357 4.585 0.025 8 0 "[ . 1 . 2]" 1
977 1 34 GLU HG2 1 35 ILE H 3.280 . 4.760 4.772 4.619 4.843 0.083 2 0 "[ . 1 . 2]" 1
978 1 34 GLU HG2 1 38 ILE MD 2.835 . 3.870 3.855 3.760 3.933 0.063 11 0 "[ . 1 . 2]" 1
979 1 34 GLU HG2 1 38 ILE HG12 3.650 . 5.500 5.519 5.412 5.568 0.068 7 0 "[ . 1 . 2]" 1
980 1 34 GLU HG3 1 38 ILE H 3.380 . 4.960 4.398 4.296 4.509 . 0 0 "[ . 1 . 2]" 1
981 1 34 GLU HG3 1 38 ILE MD 2.830 . 3.860 2.826 2.657 2.993 . 0 0 "[ . 1 . 2]" 1
982 1 35 ILE H 1 35 ILE HB 2.490 . 3.180 2.459 2.421 2.493 . 0 0 "[ . 1 . 2]" 1
983 1 35 ILE H 1 35 ILE MD 2.635 . 3.470 3.535 3.514 3.568 0.098 13 0 "[ . 1 . 2]" 1
984 1 35 ILE H 1 35 ILE HG12 2.915 . 4.030 3.537 3.455 3.589 . 0 0 "[ . 1 . 2]" 1
985 1 35 ILE H 1 35 ILE HG13 2.900 . 4.000 2.221 2.138 2.278 . 0 0 "[ . 1 . 2]" 1
986 1 35 ILE H 1 35 ILE MG 2.785 . 3.770 3.763 3.751 3.772 0.002 5 0 "[ . 1 . 2]" 1
987 1 35 ILE H 1 36 GLU HG3 3.650 . 5.500 4.437 4.179 4.751 . 0 0 "[ . 1 . 2]" 1
988 1 35 ILE H 2 30 LEU MD1 3.540 . 5.280 4.768 4.548 4.906 . 0 0 "[ . 1 . 2]" 1
989 1 35 ILE HA 1 35 ILE MD 2.870 . 3.940 3.792 3.775 3.803 . 0 0 "[ . 1 . 2]" 1
990 1 35 ILE HA 1 35 ILE HG12 2.695 . 3.590 2.472 2.444 2.491 . 0 0 "[ . 1 . 2]" 1
991 1 35 ILE HA 1 35 ILE MG 2.575 . 3.350 2.482 2.461 2.507 . 0 0 "[ . 1 . 2]" 1
992 1 35 ILE HA 1 36 GLU HA 3.410 . 5.020 4.850 4.829 4.875 . 0 0 "[ . 1 . 2]" 1
993 1 35 ILE HA 1 38 ILE H 3.140 . 4.480 3.463 3.366 3.611 . 0 0 "[ . 1 . 2]" 1
994 1 35 ILE HA 1 38 ILE HB 3.045 . 4.290 3.350 3.198 3.504 . 0 0 "[ . 1 . 2]" 1
995 1 35 ILE HA 1 38 ILE MD 2.915 . 4.030 3.007 2.809 3.291 . 0 0 "[ . 1 . 2]" 1
996 1 35 ILE HA 1 38 ILE HG12 3.345 . 4.890 4.741 4.564 4.887 . 0 0 "[ . 1 . 2]" 1
997 1 35 ILE HA 1 38 ILE HG13 3.520 . 5.240 3.077 2.912 3.203 . 0 0 "[ . 1 . 2]" 1
998 1 35 ILE HA 1 38 ILE MG 3.290 . 4.780 4.655 4.535 4.783 0.003 13 0 "[ . 1 . 2]" 1
999 1 35 ILE HA 1 39 GLN H 3.405 . 5.010 4.029 3.849 4.275 . 0 0 "[ . 1 . 2]" 1
1000 1 35 ILE HA 1 39 GLN QG 3.565 . 5.330 3.796 3.599 3.992 . 0 0 "[ . 1 . 2]" 1
1001 1 35 ILE HB 1 35 ILE MD 2.420 . 3.040 2.392 2.379 2.409 . 0 0 "[ . 1 . 2]" 1
1002 1 35 ILE HB 1 36 GLU H 2.610 . 3.420 2.653 2.597 2.716 . 0 0 "[ . 1 . 2]" 1
1003 1 35 ILE HB 1 36 GLU HA 3.495 . 5.190 4.426 4.347 4.486 . 0 0 "[ . 1 . 2]" 1
1004 1 35 ILE HB 1 37 LYS H 3.485 . 5.170 5.010 4.866 5.180 0.010 7 0 "[ . 1 . 2]" 1
1005 1 35 ILE MD 1 39 GLN QE 3.570 . 5.340 4.631 3.967 5.372 0.032 18 0 "[ . 1 . 2]" 1
1006 1 35 ILE MG 1 36 GLU H 2.765 . 3.730 3.321 3.232 3.370 . 0 0 "[ . 1 . 2]" 1
1007 1 35 ILE MG 1 36 GLU HA 2.875 . 3.950 3.397 3.353 3.448 . 0 0 "[ . 1 . 2]" 1
1008 1 35 ILE MG 1 36 GLU HG2 3.165 . 4.530 4.332 4.132 4.512 . 0 0 "[ . 1 . 2]" 1
1009 1 35 ILE MG 1 36 GLU HG3 3.255 . 4.710 4.200 4.026 4.304 . 0 0 "[ . 1 . 2]" 1
1010 1 35 ILE MG 1 39 GLN H 3.110 . 4.420 3.853 3.619 3.985 . 0 0 "[ . 1 . 2]" 1
1011 1 35 ILE MG 1 39 GLN HB2 2.865 . 3.930 3.590 3.372 3.774 . 0 0 "[ . 1 . 2]" 1
1012 1 35 ILE MG 1 39 GLN HB3 3.120 . 4.440 4.449 4.247 4.538 0.098 11 0 "[ . 1 . 2]" 1
1013 1 35 ILE MG 1 39 GLN HE21 2.900 . 4.000 2.916 2.070 3.480 . 0 0 "[ . 1 . 2]" 1
1014 1 35 ILE MG 1 39 GLN HE22 2.900 . 4.000 3.424 2.600 4.051 0.051 6 0 "[ . 1 . 2]" 1
1015 1 35 ILE MG 1 39 GLN QG 2.770 . 3.740 2.390 1.899 2.773 . 0 0 "[ . 1 . 2]" 1
1016 1 36 GLU H 1 36 GLU HB2 2.475 . 3.150 2.470 2.379 2.568 . 0 0 "[ . 1 . 2]" 1
1017 1 36 GLU H 1 36 GLU HB3 2.770 . 3.740 3.584 3.557 3.600 . 0 0 "[ . 1 . 2]" 1
1018 1 36 GLU H 1 36 GLU HG2 2.805 . 3.810 3.364 3.235 3.577 . 0 0 "[ . 1 . 2]" 1
1019 1 36 GLU H 1 36 GLU HG3 2.715 . 3.630 2.278 2.086 2.497 . 0 0 "[ . 1 . 2]" 1
1020 1 36 GLU H 1 37 LYS H 2.470 . 3.140 2.675 2.567 2.769 . 0 0 "[ . 1 . 2]" 1
1021 1 36 GLU H 1 39 GLN H 3.300 . 4.800 4.758 4.568 4.857 0.057 11 0 "[ . 1 . 2]" 1
1022 1 36 GLU HA 1 36 GLU HG2 2.680 . 3.560 2.487 2.374 2.582 . 0 0 "[ . 1 . 2]" 1
1023 1 36 GLU HA 1 36 GLU HG3 2.845 . 3.890 3.127 3.020 3.197 . 0 0 "[ . 1 . 2]" 1
1024 1 36 GLU HA 1 39 GLN H 2.945 . 4.090 3.595 3.397 3.721 . 0 0 "[ . 1 . 2]" 1
1025 1 36 GLU HA 1 40 LYS H 2.985 . 4.170 3.938 3.636 4.228 0.058 15 0 "[ . 1 . 2]" 1
1026 1 36 GLU HB2 1 37 LYS H 2.815 . 3.830 2.612 2.555 2.663 . 0 0 "[ . 1 . 2]" 1
1027 1 37 LYS H 1 37 LYS QB 2.305 . 2.810 2.320 2.138 2.574 . 0 0 "[ . 1 . 2]" 1
1028 1 37 LYS H 1 37 LYS QD 3.210 . 4.620 3.893 2.092 4.685 0.065 10 0 "[ . 1 . 2]" 1
1029 1 37 LYS H 1 37 LYS QG 3.060 . 4.320 3.167 2.013 3.972 . 0 0 "[ . 1 . 2]" 1
1030 1 37 LYS H 1 38 ILE MD 3.585 . 5.370 5.329 5.230 5.389 0.019 5 0 "[ . 1 . 2]" 1
1031 1 37 LYS H 1 39 GLN H 3.060 . 4.320 4.078 3.986 4.167 . 0 0 "[ . 1 . 2]" 1
1032 1 37 LYS H 1 40 LYS QG 3.125 . 4.450 4.291 4.055 4.539 0.089 17 0 "[ . 1 . 2]" 1
1033 1 37 LYS HA 1 37 LYS QD 3.030 . 4.260 3.957 2.926 4.237 . 0 0 "[ . 1 . 2]" 1
1034 1 37 LYS HA 1 37 LYS QG 2.805 . 3.810 2.485 2.316 2.636 . 0 0 "[ . 1 . 2]" 1
1035 1 37 LYS HA 1 40 LYS H 3.160 . 4.520 3.725 3.488 3.894 . 0 0 "[ . 1 . 2]" 1
1036 1 37 LYS HA 1 40 LYS QB 2.865 . 3.930 3.667 2.706 4.097 0.167 11 0 "[ . 1 . 2]" 1
1037 1 37 LYS HA 1 40 LYS QE 3.240 . 4.680 3.253 1.784 4.698 0.018 10 0 "[ . 1 . 2]" 1
1038 1 37 LYS HA 1 40 LYS QG 2.605 . 3.410 2.550 1.956 3.436 0.026 8 0 "[ . 1 . 2]" 1
1039 1 37 LYS QB 1 37 LYS QE 2.935 . 4.070 3.041 1.878 3.784 . 0 0 "[ . 1 . 2]" 1
1040 1 37 LYS QB 1 38 ILE H 2.445 . 3.090 2.449 2.355 2.536 . 0 0 "[ . 1 . 2]" 1
1041 1 37 LYS QB 1 38 ILE HG12 2.800 . 3.800 3.725 3.505 3.869 0.069 14 0 "[ . 1 . 2]" 1
1042 1 37 LYS QE 1 37 LYS QG 2.955 . 4.110 2.341 2.129 2.770 . 0 0 "[ . 1 . 2]" 1
1043 1 37 LYS QG 1 38 ILE H 3.230 . 4.660 3.768 3.021 4.405 . 0 0 "[ . 1 . 2]" 1
1044 1 38 ILE H 1 38 ILE HB 2.585 . 3.370 2.704 2.670 2.761 . 0 0 "[ . 1 . 2]" 1
1045 1 38 ILE H 1 38 ILE MD 2.815 . 3.830 3.546 3.487 3.583 . 0 0 "[ . 1 . 2]" 1
1046 1 38 ILE H 1 38 ILE HG12 2.600 . 3.400 2.944 2.829 3.007 . 0 0 "[ . 1 . 2]" 1
1047 1 38 ILE H 1 38 ILE HG13 2.685 . 3.570 1.868 1.770 1.917 0.030 20 0 "[ . 1 . 2]" 1
1048 1 38 ILE H 1 38 ILE MG 2.785 . 3.770 3.756 3.728 3.769 . 0 0 "[ . 1 . 2]" 1
1049 1 38 ILE H 1 39 GLN H 2.560 . 3.320 2.603 2.541 2.653 . 0 0 "[ . 1 . 2]" 1
1050 1 38 ILE H 1 39 GLN QG 3.170 . 4.540 4.377 4.228 4.548 0.008 10 0 "[ . 1 . 2]" 1
1051 1 38 ILE HA 1 38 ILE MD 2.900 . 4.000 3.833 3.801 3.870 . 0 0 "[ . 1 . 2]" 1
1052 1 38 ILE HA 1 38 ILE HG12 2.765 . 3.730 2.613 2.567 2.684 . 0 0 "[ . 1 . 2]" 1
1053 1 38 ILE HA 1 38 ILE HG13 2.700 . 3.600 3.265 3.223 3.311 . 0 0 "[ . 1 . 2]" 1
1054 1 38 ILE HA 1 38 ILE MG 2.500 . 3.200 2.284 2.244 2.304 . 0 0 "[ . 1 . 2]" 1
1055 1 38 ILE HB 1 38 ILE MD 2.710 . 3.620 2.465 2.448 2.497 . 0 0 "[ . 1 . 2]" 1
1056 1 38 ILE HB 1 39 GLN H 2.520 . 3.240 2.591 2.482 2.764 . 0 0 "[ . 1 . 2]" 1
1057 1 38 ILE HG12 1 38 ILE MG 2.485 . 3.170 2.437 2.419 2.472 . 0 0 "[ . 1 . 2]" 1
1058 1 38 ILE HG12 1 39 GLN H 3.245 . 4.690 4.750 4.720 4.768 0.078 15 0 "[ . 1 . 2]" 1
1059 1 38 ILE HG13 1 38 ILE MG 2.550 . 3.300 3.199 3.193 3.209 . 0 0 "[ . 1 . 2]" 1
1060 1 38 ILE HG13 1 39 GLN H 3.465 . 5.130 3.855 3.796 3.906 . 0 0 "[ . 1 . 2]" 1
1061 1 38 ILE HG13 1 39 GLN QG 3.570 . 5.340 4.943 4.763 5.167 . 0 0 "[ . 1 . 2]" 1
1062 1 38 ILE MG 1 39 GLN H 2.940 . 4.080 3.700 3.597 3.876 . 0 0 "[ . 1 . 2]" 1
1063 1 38 ILE MG 1 39 GLN QG 3.450 . 5.100 4.025 3.666 4.443 . 0 0 "[ . 1 . 2]" 1
1064 1 38 ILE MG 1 40 LYS H 3.650 . 5.500 5.113 4.889 5.300 . 0 0 "[ . 1 . 2]" 1
1065 1 39 GLN H 1 39 GLN HB2 2.575 . 3.350 2.397 2.329 2.469 . 0 0 "[ . 1 . 2]" 1
1066 1 39 GLN H 1 39 GLN HB3 2.820 . 3.840 3.591 3.575 3.607 . 0 0 "[ . 1 . 2]" 1
1067 1 39 GLN H 1 39 GLN HG2 2.750 . 3.700 3.113 2.300 3.703 0.003 12 0 "[ . 1 . 2]" 1
1068 1 39 GLN H 1 39 GLN QG 2.490 . 3.180 2.423 2.276 2.628 . 0 0 "[ . 1 . 2]" 1
1069 1 39 GLN H 1 39 GLN HG3 2.750 . 3.700 2.982 2.439 3.705 0.005 6 0 "[ . 1 . 2]" 1
1070 1 39 GLN H 1 40 LYS H 2.565 . 3.330 2.636 2.539 2.764 . 0 0 "[ . 1 . 2]" 1
1071 1 39 GLN HA 1 39 GLN HG2 2.755 . 3.710 2.612 2.324 2.960 . 0 0 "[ . 1 . 2]" 1
1072 1 39 GLN HA 1 39 GLN QG 2.505 . 3.210 2.519 2.253 2.851 . 0 0 "[ . 1 . 2]" 1
1073 1 39 GLN HA 1 39 GLN HG3 2.755 . 3.710 3.307 2.962 3.746 0.036 4 0 "[ . 1 . 2]" 1
1074 1 39 GLN HB2 1 40 LYS H 2.745 . 3.690 2.905 2.648 3.173 . 0 0 "[ . 1 . 2]" 1
1075 1 39 GLN HB3 1 39 GLN HE21 3.220 . 4.640 4.032 2.593 4.421 . 0 0 "[ . 1 . 2]" 1
1076 1 39 GLN HB3 1 39 GLN QE 2.885 . 3.970 3.731 2.549 4.030 0.060 1 0 "[ . 1 . 2]" 1
1077 1 39 GLN HB3 1 39 GLN HE22 3.220 . 4.640 4.426 3.751 4.647 0.007 1 0 "[ . 1 . 2]" 1
1078 1 39 GLN QE 1 39 GLN QG 2.430 . 3.060 2.163 2.117 2.674 . 0 0 "[ . 1 . 2]" 1
1079 1 39 GLN QG 1 40 LYS H 3.280 . 4.760 4.259 4.129 4.419 . 0 0 "[ . 1 . 2]" 1
1080 1 39 GLN HG2 1 40 LYS H 3.650 . 5.500 4.872 4.405 5.205 . 0 0 "[ . 1 . 2]" 1
1081 1 39 GLN HG3 1 40 LYS H 3.650 . 5.500 4.786 4.541 5.085 . 0 0 "[ . 1 . 2]" 1
1082 1 40 LYS H 1 40 LYS QB 2.350 . 2.900 2.510 2.245 2.631 . 0 0 "[ . 1 . 2]" 1
1083 1 40 LYS H 1 40 LYS QG 2.725 . 3.650 2.273 2.091 2.679 . 0 0 "[ . 1 . 2]" 1
1084 1 40 LYS H 1 41 GLY H 2.475 . 3.150 2.503 2.387 2.664 . 0 0 "[ . 1 . 2]" 1
1085 1 40 LYS HA 1 40 LYS QB 2.395 . 2.990 2.252 2.172 2.460 . 0 0 "[ . 1 . 2]" 1
1086 1 40 LYS HA 1 40 LYS HG2 2.925 . 4.050 3.404 2.337 3.870 . 0 0 "[ . 1 . 2]" 1
1087 1 40 LYS HA 1 40 LYS QG 2.640 . 3.480 3.052 2.252 3.361 . 0 0 "[ . 1 . 2]" 1
1088 1 40 LYS HA 1 40 LYS HG3 2.925 . 4.050 3.508 2.933 3.747 . 0 0 "[ . 1 . 2]" 1
1089 1 40 LYS QB 1 40 LYS QE 2.990 . 4.180 2.782 1.846 3.666 . 0 0 "[ . 1 . 2]" 1
1090 1 40 LYS QB 1 41 GLY H 2.785 . 3.770 3.276 2.647 3.795 0.025 14 0 "[ . 1 . 2]" 1
1091 1 40 LYS QB 1 41 GLY QA 3.130 . 4.460 4.061 3.366 4.494 0.034 7 0 "[ . 1 . 2]" 1
1092 1 40 LYS QD 1 41 GLY QA 3.465 . 5.130 5.143 4.834 5.364 0.234 10 0 "[ . 1 . 2]" 1
1093 1 40 LYS QE 1 40 LYS QG 2.680 . 3.560 2.439 2.123 2.833 . 0 0 "[ . 1 . 2]" 1
1094 1 40 LYS QG 1 41 GLY QA 3.365 . 4.930 4.001 3.233 5.133 0.203 19 0 "[ . 1 . 2]" 1
1095 2 5 PRO HA 2 6 GLU H 2.460 . 3.120 2.174 2.090 2.536 . 0 0 "[ . 1 . 2]" 1
1096 2 5 PRO HA 2 6 GLU HA 3.220 . 4.640 4.267 3.992 4.387 . 0 0 "[ . 1 . 2]" 1
1097 2 5 PRO HA 2 7 ASN H 3.590 . 5.380 4.053 3.648 4.857 . 0 0 "[ . 1 . 2]" 1
1098 2 5 PRO QB 2 6 GLU H 2.875 . 3.950 3.125 2.297 3.460 . 0 0 "[ . 1 . 2]" 1
1099 2 5 PRO QD 2 8 LYS QD 3.260 . 4.720 3.781 2.527 4.804 0.084 12 0 "[ . 1 . 2]" 1
1100 2 5 PRO HD2 2 6 GLU H 3.650 . 5.500 5.503 5.171 5.602 0.102 8 0 "[ . 1 . 2]" 1
1101 2 5 PRO HD3 2 6 GLU H 3.650 . 5.500 5.554 5.371 5.656 0.156 5 0 "[ . 1 . 2]" 1
1102 2 5 PRO QG 2 7 ASN H 3.130 . 4.460 4.451 3.878 4.647 0.187 9 0 "[ . 1 . 2]" 1
1103 2 5 PRO QG 2 7 ASN QB 3.650 . 5.500 4.378 3.574 5.335 . 0 0 "[ . 1 . 2]" 1
1104 2 5 PRO QG 2 8 LYS QB 2.705 . 3.610 2.090 1.696 3.204 0.104 12 0 "[ . 1 . 2]" 1
1105 2 5 PRO QG 2 8 LYS QD 2.710 . 3.620 2.684 1.835 3.697 0.077 9 0 "[ . 1 . 2]" 1
1106 2 5 PRO QG 2 8 LYS QE 3.070 . 4.340 3.743 2.369 4.456 0.116 13 0 "[ . 1 . 2]" 1
1107 2 6 GLU H 2 6 GLU HB2 2.940 . 4.080 2.613 2.319 3.575 . 0 0 "[ . 1 . 2]" 1
1108 2 6 GLU H 2 6 GLU QB 2.635 . 3.470 2.409 2.159 2.886 . 0 0 "[ . 1 . 2]" 1
1109 2 6 GLU H 2 6 GLU HB3 2.940 . 4.080 3.132 2.394 3.607 . 0 0 "[ . 1 . 2]" 1
1110 2 6 GLU H 2 6 GLU QG 3.090 . 4.380 2.855 1.682 3.990 0.118 14 0 "[ . 1 . 2]" 1
1111 2 6 GLU H 2 7 ASN H 3.060 . 4.320 2.686 2.570 2.800 . 0 0 "[ . 1 . 2]" 1
1112 2 6 GLU H 2 7 ASN HA 3.515 . 5.230 5.261 5.194 5.327 0.097 5 0 "[ . 1 . 2]" 1
1113 2 6 GLU HA 2 6 GLU HG2 2.845 . 3.890 3.069 2.375 4.106 0.216 14 0 "[ . 1 . 2]" 1
1114 2 6 GLU HA 2 6 GLU QG 2.475 . 3.150 2.596 2.316 3.409 0.259 17 0 "[ . 1 . 2]" 1
1115 2 6 GLU HA 2 6 GLU HG3 2.845 . 3.890 3.000 2.456 4.168 0.278 17 0 "[ . 1 . 2]" 1
1116 2 6 GLU HA 2 7 ASN H 2.645 . 3.490 3.494 3.407 3.570 0.080 20 0 "[ . 1 . 2]" 1
1117 2 6 GLU HA 2 7 ASN HA 3.380 . 4.960 4.755 4.611 4.839 . 0 0 "[ . 1 . 2]" 1
1118 2 6 GLU HA 2 9 TYR HB3 3.140 . 4.480 2.517 1.531 4.290 0.269 16 0 "[ . 1 . 2]" 1
1119 2 6 GLU QB 2 7 ASN H 3.065 . 4.330 2.809 2.292 3.433 . 0 0 "[ . 1 . 2]" 1
1120 2 6 GLU QB 2 7 ASN HA 3.105 . 4.410 4.055 3.703 4.432 0.022 17 0 "[ . 1 . 2]" 1
1121 2 6 GLU QB 2 7 ASN QB 3.265 . 4.730 4.096 3.670 4.817 0.087 17 0 "[ . 1 . 2]" 1
1122 2 6 GLU QB 2 9 TYR HB2 3.565 . 5.330 4.942 4.438 5.461 0.131 11 0 "[ . 1 . 2]" 1
1123 2 6 GLU QG 2 7 ASN H 3.325 . 4.850 3.886 2.299 4.474 . 0 0 "[ . 1 . 2]" 1
1124 2 7 ASN H 2 7 ASN QB 2.630 . 3.460 2.248 2.148 2.350 . 0 0 "[ . 1 . 2]" 1
1125 2 7 ASN H 2 8 LYS QB 3.275 . 4.750 4.565 4.011 4.992 0.242 7 0 "[ . 1 . 2]" 1
1126 2 7 ASN HA 2 9 TYR H 3.430 . 5.060 4.232 3.481 4.659 . 0 0 "[ . 1 . 2]" 1
1127 2 7 ASN HA 2 10 LEU MD2 3.360 . 4.920 4.507 4.087 5.046 0.126 12 0 "[ . 1 . 2]" 1
1128 2 7 ASN QB 2 7 ASN HD21 2.765 . 3.730 2.665 2.206 2.826 . 0 0 "[ . 1 . 2]" 1
1129 2 7 ASN QB 2 7 ASN QD 2.465 . 3.130 2.575 2.174 2.712 . 0 0 "[ . 1 . 2]" 1
1130 2 7 ASN QB 2 7 ASN HD22 2.765 . 3.730 3.444 3.286 3.495 . 0 0 "[ . 1 . 2]" 1
1131 2 7 ASN QB 2 8 LYS H 3.065 . 4.330 2.620 2.281 2.814 . 0 0 "[ . 1 . 2]" 1
1132 2 7 ASN QB 2 8 LYS HA 3.260 . 4.720 4.186 3.962 4.301 . 0 0 "[ . 1 . 2]" 1
1133 2 7 ASN QD 2 10 LEU MD2 3.100 . 4.400 3.919 2.968 4.293 . 0 0 "[ . 1 . 2]" 1
1134 2 7 ASN HD21 2 10 LEU MD2 3.420 . 5.040 4.379 3.629 4.947 . 0 0 "[ . 1 . 2]" 1
1135 2 7 ASN HD22 2 10 LEU MD2 3.420 . 5.040 4.625 3.083 5.134 0.094 17 0 "[ . 1 . 2]" 1
1136 2 8 LYS H 2 8 LYS QB 2.750 . 3.700 2.283 2.082 2.634 . 0 0 "[ . 1 . 2]" 1
1137 2 8 LYS H 2 8 LYS QD 3.460 . 5.120 3.980 2.245 4.847 . 0 0 "[ . 1 . 2]" 1
1138 2 8 LYS H 2 8 LYS QG 2.860 . 3.920 3.298 2.143 4.024 0.104 5 0 "[ . 1 . 2]" 1
1139 2 8 LYS H 2 9 TYR H 2.630 . 3.460 2.372 2.076 2.869 . 0 0 "[ . 1 . 2]" 1
1140 2 8 LYS H 2 11 PRO HG2 3.650 . 5.500 5.475 5.156 5.582 0.082 13 0 "[ . 1 . 2]" 1
1141 2 8 LYS HA 2 8 LYS HD2 3.650 . 5.500 4.296 2.485 5.171 . 0 0 "[ . 1 . 2]" 1
1142 2 8 LYS HA 2 8 LYS QD 3.290 . 4.780 3.791 2.448 4.228 . 0 0 "[ . 1 . 2]" 1
1143 2 8 LYS HA 2 8 LYS HD3 3.650 . 5.500 4.356 3.680 4.710 . 0 0 "[ . 1 . 2]" 1
1144 2 8 LYS HA 2 8 LYS QE 3.150 . 4.500 4.250 2.437 4.736 0.236 13 0 "[ . 1 . 2]" 1
1145 2 8 LYS HA 2 8 LYS QG 2.630 . 3.460 2.406 2.105 3.483 0.023 7 0 "[ . 1 . 2]" 1
1146 2 8 LYS HA 2 11 PRO QD 2.750 . 3.700 2.557 1.835 3.079 . 0 0 "[ . 1 . 2]" 1
1147 2 8 LYS HA 2 11 PRO HG2 2.700 . 3.600 2.916 2.505 3.153 . 0 0 "[ . 1 . 2]" 1
1148 2 8 LYS HA 2 11 PRO HG3 2.730 . 3.660 2.758 2.366 3.104 . 0 0 "[ . 1 . 2]" 1
1149 2 8 LYS QB 2 8 LYS QE 3.140 . 4.480 2.897 1.814 3.710 . 0 0 "[ . 1 . 2]" 1
1150 2 8 LYS QB 2 9 TYR H 3.170 . 4.540 2.993 2.562 3.647 . 0 0 "[ . 1 . 2]" 1
1151 2 8 LYS QB 2 11 PRO QD 3.430 . 5.060 4.099 3.351 4.504 . 0 0 "[ . 1 . 2]" 1
1152 2 8 LYS QE 2 8 LYS QG 2.790 . 3.780 2.300 2.112 2.812 . 0 0 "[ . 1 . 2]" 1
1153 2 9 TYR H 2 9 TYR HB2 2.505 . 3.210 2.494 2.373 2.628 . 0 0 "[ . 1 . 2]" 1
1154 2 9 TYR H 2 9 TYR HB3 2.555 . 3.310 2.374 2.283 2.466 . 0 0 "[ . 1 . 2]" 1
1155 2 9 TYR H 2 9 TYR QD 3.005 . 4.210 4.137 4.099 4.170 . 0 0 "[ . 1 . 2]" 1
1156 2 9 TYR H 2 10 LEU H 2.770 . 3.740 2.668 2.510 2.771 . 0 0 "[ . 1 . 2]" 1
1157 2 9 TYR H 2 11 PRO QD 3.410 . 5.020 3.566 3.495 3.647 . 0 0 "[ . 1 . 2]" 1
1158 2 9 TYR HA 2 9 TYR QD 2.440 . 3.080 2.538 2.382 2.707 . 0 0 "[ . 1 . 2]" 1
1159 2 9 TYR HA 2 9 TYR QE 3.330 . 4.860 4.651 4.554 4.778 . 0 0 "[ . 1 . 2]" 1
1160 2 9 TYR HA 2 11 PRO QD 3.060 . 4.320 4.091 3.996 4.196 . 0 0 "[ . 1 . 2]" 1
1161 2 9 TYR HA 2 11 PRO HG2 3.305 . 4.810 4.782 4.660 4.847 0.037 17 0 "[ . 1 . 2]" 1
1162 2 9 TYR HA 2 12 GLU H 3.155 . 4.510 3.770 3.638 3.895 . 0 0 "[ . 1 . 2]" 1
1163 2 9 TYR HA 2 12 GLU HB2 2.920 . 4.040 2.829 2.430 3.074 . 0 0 "[ . 1 . 2]" 1
1164 2 9 TYR HA 2 12 GLU HB3 3.175 . 4.550 4.227 3.769 4.474 . 0 0 "[ . 1 . 2]" 1
1165 2 9 TYR HA 2 12 GLU HG2 3.455 . 5.110 3.785 2.812 4.615 . 0 0 "[ . 1 . 2]" 1
1166 2 9 TYR HA 2 13 LEU MD1 3.545 . 5.290 4.826 4.597 5.042 . 0 0 "[ . 1 . 2]" 1
1167 2 9 TYR HA 2 38 ILE MD 3.525 . 5.250 4.740 4.577 4.903 . 0 0 "[ . 1 . 2]" 1
1168 2 9 TYR HB2 2 10 LEU H 2.935 . 4.070 4.050 3.975 4.103 0.033 14 0 "[ . 1 . 2]" 1
1169 2 9 TYR HB2 2 11 PRO QD 3.575 . 5.350 5.311 5.236 5.361 0.011 4 0 "[ . 1 . 2]" 1
1170 2 9 TYR HB2 2 12 GLU HB2 3.545 . 5.290 5.121 4.781 5.320 0.030 8 0 "[ . 1 . 2]" 1
1171 2 9 TYR HB2 2 13 LEU MD1 3.605 . 5.410 5.153 4.897 5.369 . 0 0 "[ . 1 . 2]" 1
1172 2 9 TYR HB2 2 38 ILE MD 3.580 . 5.360 4.368 4.175 4.520 . 0 0 "[ . 1 . 2]" 1
1173 2 9 TYR HB3 2 10 LEU H 2.765 . 3.730 2.851 2.746 2.924 . 0 0 "[ . 1 . 2]" 1
1174 2 9 TYR HB3 2 10 LEU HB2 3.485 . 5.170 4.399 4.274 4.490 . 0 0 "[ . 1 . 2]" 1
1175 2 9 TYR HB3 2 10 LEU MD1 3.650 . 5.500 5.455 5.310 5.519 0.019 15 0 "[ . 1 . 2]" 1
1176 2 9 TYR HB3 2 11 PRO QD 3.510 . 5.220 4.568 4.480 4.630 . 0 0 "[ . 1 . 2]" 1
1177 2 9 TYR HB3 2 13 LEU MD1 3.225 . 4.650 4.350 4.079 4.608 . 0 0 "[ . 1 . 2]" 1
1178 2 9 TYR HB3 2 38 ILE MD 3.075 . 4.350 3.016 2.771 3.186 . 0 0 "[ . 1 . 2]" 1
1179 2 9 TYR HB3 2 38 ILE MG 3.310 . 4.820 4.182 3.929 4.449 . 0 0 "[ . 1 . 2]" 1
1180 2 9 TYR QD 2 10 LEU H 2.990 . 4.180 4.005 3.873 4.093 . 0 0 "[ . 1 . 2]" 1
1181 2 9 TYR QD 2 10 LEU HB2 3.180 . 4.560 4.492 4.295 4.603 0.043 7 0 "[ . 1 . 2]" 1
1182 2 9 TYR QD 2 10 LEU MD1 3.650 . 5.500 4.793 4.583 4.960 . 0 0 "[ . 1 . 2]" 1
1183 2 9 TYR QD 2 12 GLU H 3.650 . 5.500 5.481 5.210 5.557 0.057 13 0 "[ . 1 . 2]" 1
1184 2 9 TYR QD 2 12 GLU HG3 3.650 . 5.500 4.369 3.854 4.998 . 0 0 "[ . 1 . 2]" 1
1185 2 9 TYR QD 2 13 LEU MD1 2.985 . 4.170 3.041 2.916 3.180 . 0 0 "[ . 1 . 2]" 1
1186 2 9 TYR QD 2 13 LEU MD2 3.115 . 4.430 3.959 3.707 4.191 . 0 0 "[ . 1 . 2]" 1
1187 2 9 TYR QD 2 13 LEU HG 3.650 . 5.500 3.880 3.659 4.091 . 0 0 "[ . 1 . 2]" 1
1188 2 9 TYR QD 2 34 GLU HG2 3.610 . 5.420 4.674 4.488 4.935 . 0 0 "[ . 1 . 2]" 1
1189 2 9 TYR QD 2 34 GLU HG3 3.650 . 5.500 4.204 4.024 4.477 . 0 0 "[ . 1 . 2]" 1
1190 2 9 TYR QD 2 38 ILE MD 2.885 . 3.970 1.825 1.781 1.915 0.019 16 0 "[ . 1 . 2]" 1
1191 2 9 TYR QD 2 38 ILE MG 3.290 . 4.780 3.761 3.670 3.876 . 0 0 "[ . 1 . 2]" 1
1192 2 9 TYR QE 2 13 LEU MD1 2.810 . 3.820 2.452 2.278 2.631 . 0 0 "[ . 1 . 2]" 1
1193 2 9 TYR QE 2 13 LEU MD2 2.795 . 3.790 2.977 2.746 3.252 . 0 0 "[ . 1 . 2]" 1
1194 2 9 TYR QE 2 34 GLU HG2 3.010 . 4.220 2.621 2.424 2.840 . 0 0 "[ . 1 . 2]" 1
1195 2 9 TYR QE 2 34 GLU HG3 3.010 . 4.220 2.418 2.246 2.616 . 0 0 "[ . 1 . 2]" 1
1196 2 9 TYR QE 2 38 ILE H 3.650 . 5.500 5.614 5.551 5.660 0.160 16 0 "[ . 1 . 2]" 1
1197 2 9 TYR QE 2 38 ILE MD 2.630 . 3.460 2.374 2.228 2.652 . 0 0 "[ . 1 . 2]" 1
1198 2 9 TYR QE 2 38 ILE HG12 2.995 . 4.190 3.822 3.669 3.929 . 0 0 "[ . 1 . 2]" 1
1199 2 9 TYR QE 2 38 ILE HG13 3.035 . 4.270 3.988 3.921 4.103 . 0 0 "[ . 1 . 2]" 1
1200 2 9 TYR QE 2 38 ILE MG 3.405 . 5.010 5.051 4.937 5.140 0.130 8 0 "[ . 1 . 2]" 1
1201 2 10 LEU H 2 10 LEU HB2 2.630 . 3.460 2.570 2.520 2.595 . 0 0 "[ . 1 . 2]" 1
1202 2 10 LEU H 2 10 LEU HB3 2.610 . 3.420 2.404 2.352 2.473 . 0 0 "[ . 1 . 2]" 1
1203 2 10 LEU H 2 10 LEU MD1 2.930 . 4.060 4.124 4.104 4.146 0.086 18 0 "[ . 1 . 2]" 1
1204 2 10 LEU H 2 10 LEU MD2 3.055 . 4.310 4.208 4.169 4.253 . 0 0 "[ . 1 . 2]" 1
1205 2 10 LEU H 2 10 LEU HG 3.240 . 4.680 4.419 4.375 4.470 . 0 0 "[ . 1 . 2]" 1
1206 2 10 LEU H 2 11 PRO QD 2.575 . 3.350 2.061 2.034 2.077 . 0 0 "[ . 1 . 2]" 1
1207 2 10 LEU H 2 11 PRO HG2 3.650 . 5.500 4.234 4.151 4.274 . 0 0 "[ . 1 . 2]" 1
1208 2 10 LEU H 2 11 PRO HG3 3.205 . 4.610 4.692 4.674 4.715 0.105 16 0 "[ . 1 . 2]" 1
1209 2 10 LEU H 2 13 LEU MD1 3.400 . 5.000 4.345 4.068 4.565 . 0 0 "[ . 1 . 2]" 1
1210 2 10 LEU H 2 38 ILE MD 3.040 . 4.280 3.198 3.022 3.296 . 0 0 "[ . 1 . 2]" 1
1211 2 10 LEU H 2 38 ILE MG 3.545 . 5.290 3.673 3.436 3.839 . 0 0 "[ . 1 . 2]" 1
1212 2 10 LEU HA 2 10 LEU MD1 2.465 . 3.130 2.119 2.077 2.217 . 0 0 "[ . 1 . 2]" 1
1213 2 10 LEU HA 2 10 LEU MD2 3.005 . 4.210 3.874 3.844 3.896 . 0 0 "[ . 1 . 2]" 1
1214 2 10 LEU HA 2 10 LEU HG 3.000 . 4.200 3.242 3.198 3.276 . 0 0 "[ . 1 . 2]" 1
1215 2 10 LEU HA 2 13 LEU HB2 3.140 . 4.480 3.031 2.913 3.142 . 0 0 "[ . 1 . 2]" 1
1216 2 10 LEU HA 2 13 LEU HB3 3.590 . 5.380 4.579 4.429 4.694 . 0 0 "[ . 1 . 2]" 1
1217 2 10 LEU HA 2 13 LEU MD1 2.655 . 3.510 2.186 1.908 2.403 . 0 0 "[ . 1 . 2]" 1
1218 2 10 LEU HA 2 13 LEU MD2 3.535 . 5.270 4.645 4.453 4.780 . 0 0 "[ . 1 . 2]" 1
1219 2 10 LEU HA 2 13 LEU HG 3.320 . 4.840 3.379 3.145 3.525 . 0 0 "[ . 1 . 2]" 1
1220 2 10 LEU HA 2 35 ILE MD 3.650 . 5.500 5.046 4.838 5.117 . 0 0 "[ . 1 . 2]" 1
1221 2 10 LEU HA 2 38 ILE MD 2.865 . 3.930 2.073 1.977 2.187 . 0 0 "[ . 1 . 2]" 1
1222 2 10 LEU HA 2 38 ILE MG 2.855 . 3.910 3.592 3.346 3.829 . 0 0 "[ . 1 . 2]" 1
1223 2 10 LEU HB2 2 10 LEU MD1 2.590 . 3.380 2.378 2.332 2.398 . 0 0 "[ . 1 . 2]" 1
1224 2 10 LEU HB2 2 10 LEU MD2 2.430 . 3.060 2.360 2.295 2.393 . 0 0 "[ . 1 . 2]" 1
1225 2 10 LEU HB2 2 11 PRO QD 2.645 . 3.490 3.363 3.319 3.388 . 0 0 "[ . 1 . 2]" 1
1226 2 10 LEU HB2 2 13 LEU MD1 3.600 . 5.400 3.999 3.717 4.230 . 0 0 "[ . 1 . 2]" 1
1227 2 10 LEU HB2 2 38 ILE MD 2.610 . 3.420 2.362 2.248 2.452 . 0 0 "[ . 1 . 2]" 1
1228 2 10 LEU HB2 2 38 ILE MG 2.450 . 3.100 1.909 1.750 2.084 0.050 7 0 "[ . 1 . 2]" 1
1229 2 10 LEU HB3 2 10 LEU MD2 2.485 . 3.170 2.321 2.291 2.348 . 0 0 "[ . 1 . 2]" 1
1230 2 10 LEU HB3 2 11 PRO HA 3.245 . 4.690 4.501 4.450 4.564 . 0 0 "[ . 1 . 2]" 1
1231 2 10 LEU HB3 2 11 PRO HB3 3.650 . 5.500 4.726 4.682 4.784 . 0 0 "[ . 1 . 2]" 1
1232 2 10 LEU HB3 2 11 PRO QD 2.670 . 3.540 1.980 1.937 2.014 . 0 0 "[ . 1 . 2]" 1
1233 2 10 LEU HB3 2 12 GLU H 3.595 . 5.390 4.796 4.682 4.857 . 0 0 "[ . 1 . 2]" 1
1234 2 10 LEU HB3 2 13 LEU MD1 3.650 . 5.500 4.886 4.621 5.098 . 0 0 "[ . 1 . 2]" 1
1235 2 10 LEU MD1 2 11 PRO HA 3.240 . 4.680 4.503 4.416 4.619 . 0 0 "[ . 1 . 2]" 1
1236 2 10 LEU MD1 2 11 PRO QD 3.080 . 4.360 4.078 4.008 4.151 . 0 0 "[ . 1 . 2]" 1
1237 2 10 LEU MD1 2 13 LEU MD1 2.585 . 3.370 2.685 2.416 2.841 . 0 0 "[ . 1 . 2]" 1
1238 2 10 LEU MD1 2 14 MET H 2.945 . 4.090 4.011 3.899 4.097 0.007 17 0 "[ . 1 . 2]" 1
1239 2 10 LEU MD1 2 14 MET HB3 2.825 . 3.850 3.921 3.802 4.596 0.746 17 1 "[ . 1 . + 2]" 1
1240 2 10 LEU MD1 2 35 ILE HA 2.655 . 3.510 2.486 2.324 2.634 . 0 0 "[ . 1 . 2]" 1
1241 2 10 LEU MD1 2 35 ILE HG12 3.110 . 4.420 2.530 2.387 2.712 . 0 0 "[ . 1 . 2]" 1
1242 2 10 LEU MD1 2 36 GLU H 3.590 . 5.380 5.013 4.898 5.159 . 0 0 "[ . 1 . 2]" 1
1243 2 10 LEU MD1 2 38 ILE H 3.100 . 4.400 3.834 3.668 3.938 . 0 0 "[ . 1 . 2]" 1
1244 2 10 LEU MD1 2 38 ILE HA 3.385 . 4.970 4.505 4.417 4.576 . 0 0 "[ . 1 . 2]" 1
1245 2 10 LEU MD1 2 38 ILE HB 2.600 . 3.400 1.766 1.713 1.818 0.087 18 0 "[ . 1 . 2]" 1
1246 2 10 LEU MD1 2 38 ILE HG13 2.845 . 3.890 3.278 3.092 3.466 . 0 0 "[ . 1 . 2]" 1
1247 2 10 LEU MD1 2 39 GLN H 2.805 . 3.810 3.368 3.288 3.469 . 0 0 "[ . 1 . 2]" 1
1248 2 10 LEU MD1 2 39 GLN HE21 3.115 . 4.430 2.885 1.797 4.067 0.003 1 0 "[ . 1 . 2]" 1
1249 2 10 LEU MD1 2 39 GLN QE 2.735 . 3.670 2.770 1.787 3.697 0.027 8 0 "[ . 1 . 2]" 1
1250 2 10 LEU MD1 2 39 GLN HE22 3.115 . 4.430 3.763 3.105 4.321 . 0 0 "[ . 1 . 2]" 1
1251 2 10 LEU MD1 2 39 GLN HG2 2.765 . 3.730 2.856 2.338 3.297 . 0 0 "[ . 1 . 2]" 1
1252 2 10 LEU MD1 2 39 GLN QG 2.525 . 3.250 2.258 2.069 2.489 . 0 0 "[ . 1 . 2]" 1
1253 2 10 LEU MD1 2 39 GLN HG3 2.765 . 3.730 2.754 2.100 3.798 0.068 18 0 "[ . 1 . 2]" 1
1254 2 10 LEU MD1 2 40 LYS H 3.650 . 5.500 5.565 5.505 5.622 0.122 19 0 "[ . 1 . 2]" 1
1255 2 10 LEU MD2 2 11 PRO QD 2.860 . 3.920 3.225 3.086 3.345 . 0 0 "[ . 1 . 2]" 1
1256 2 10 LEU MD2 2 38 ILE H 3.605 . 5.410 5.263 4.957 5.439 0.029 6 0 "[ . 1 . 2]" 1
1257 2 10 LEU MD2 2 38 ILE HB 2.660 . 3.520 2.970 2.615 3.189 . 0 0 "[ . 1 . 2]" 1
1258 2 10 LEU MD2 2 39 GLN HA 2.665 . 3.530 3.451 3.245 3.591 0.061 10 0 "[ . 1 . 2]" 1
1259 2 10 LEU MD2 2 39 GLN HE21 3.415 . 5.030 2.956 1.922 4.726 . 0 0 "[ . 1 . 2]" 1
1260 2 10 LEU MD2 2 39 GLN QE 2.990 . 4.180 2.650 1.777 4.271 0.091 8 0 "[ . 1 . 2]" 1
1261 2 10 LEU MD2 2 39 GLN HE22 3.415 . 5.030 3.557 2.091 4.871 . 0 0 "[ . 1 . 2]" 1
1262 2 10 LEU MD2 2 39 GLN QG 2.740 . 3.680 2.663 2.099 3.597 . 0 0 "[ . 1 . 2]" 1
1263 2 10 LEU HG 2 11 PRO QD 2.990 . 4.180 3.139 2.986 3.302 . 0 0 "[ . 1 . 2]" 1
1264 2 10 LEU HG 2 14 MET HB3 3.530 . 5.260 4.197 3.991 4.600 . 0 0 "[ . 1 . 2]" 1
1265 2 11 PRO HA 2 14 MET H 2.900 . 4.000 3.275 3.181 3.351 . 0 0 "[ . 1 . 2]" 1
1266 2 11 PRO HA 2 14 MET HA 3.650 . 5.500 5.293 5.146 5.409 . 0 0 "[ . 1 . 2]" 1
1267 2 11 PRO HA 2 14 MET HB3 3.095 . 4.390 3.444 2.406 3.709 . 0 0 "[ . 1 . 2]" 1
1268 2 11 PRO HA 2 15 ALA H 3.265 . 4.730 3.985 3.829 4.135 . 0 0 "[ . 1 . 2]" 1
1269 2 11 PRO HB2 2 12 GLU H 2.705 . 3.610 3.326 3.264 3.386 . 0 0 "[ . 1 . 2]" 1
1270 2 11 PRO HB2 2 12 GLU HG2 3.145 . 4.490 4.418 4.232 4.966 0.476 1 0 "[ . 1 . 2]" 1
1271 2 11 PRO HB3 2 12 GLU H 3.110 . 4.420 4.181 4.130 4.227 . 0 0 "[ . 1 . 2]" 1
1272 2 11 PRO QD 2 12 GLU H 2.900 . 4.000 2.892 2.831 2.971 . 0 0 "[ . 1 . 2]" 1
1273 2 11 PRO HG2 2 12 GLU H 3.265 . 4.730 2.365 2.250 2.432 . 0 0 "[ . 1 . 2]" 1
1274 2 11 PRO HG2 2 12 GLU HA 3.035 . 4.270 4.357 4.316 4.391 0.121 19 0 "[ . 1 . 2]" 1
1275 2 11 PRO HG3 2 12 GLU H 2.955 . 4.110 3.943 3.849 4.016 . 0 0 "[ . 1 . 2]" 1
1276 2 11 PRO HG3 2 12 GLU HG2 3.485 . 5.170 4.985 4.575 5.941 0.771 1 1 "[+ . 1 . 2]" 1
1277 2 12 GLU H 2 12 GLU HB2 2.560 . 3.320 2.466 2.312 2.581 . 0 0 "[ . 1 . 2]" 1
1278 2 12 GLU H 2 12 GLU HB3 2.670 . 3.540 3.566 3.524 3.583 0.043 11 0 "[ . 1 . 2]" 1
1279 2 12 GLU H 2 12 GLU HG2 2.670 . 3.540 2.553 2.036 3.371 . 0 0 "[ . 1 . 2]" 1
1280 2 12 GLU H 2 12 GLU HG3 2.940 . 4.080 3.043 2.137 3.690 . 0 0 "[ . 1 . 2]" 1
1281 2 12 GLU H 2 13 LEU H 2.620 . 3.440 2.655 2.622 2.687 . 0 0 "[ . 1 . 2]" 1
1282 2 12 GLU H 2 13 LEU HA 3.650 . 5.500 5.284 5.247 5.311 . 0 0 "[ . 1 . 2]" 1
1283 2 12 GLU H 2 13 LEU MD1 3.610 . 5.420 5.151 5.059 5.229 . 0 0 "[ . 1 . 2]" 1
1284 2 12 GLU H 2 13 LEU MD2 3.650 . 5.500 5.531 5.509 5.558 0.058 19 0 "[ . 1 . 2]" 1
1285 2 12 GLU H 2 13 LEU HG 3.150 . 4.500 4.477 4.414 4.521 0.021 20 0 "[ . 1 . 2]" 1
1286 2 12 GLU H 2 14 MET H 3.210 . 4.620 4.174 4.078 4.220 . 0 0 "[ . 1 . 2]" 1
1287 2 12 GLU H 2 15 ALA MB 3.650 . 5.500 4.800 4.719 4.876 . 0 0 "[ . 1 . 2]" 1
1288 2 12 GLU HA 2 12 GLU HG2 2.790 . 3.780 2.726 2.375 3.204 . 0 0 "[ . 1 . 2]" 1
1289 2 12 GLU HA 2 12 GLU HG3 2.890 . 3.980 3.599 3.132 3.814 . 0 0 "[ . 1 . 2]" 1
1290 2 12 GLU HA 2 13 LEU HA 3.415 . 5.030 4.810 4.795 4.837 . 0 0 "[ . 1 . 2]" 1
1291 2 12 GLU HA 2 13 LEU HG 3.625 . 5.450 5.486 5.449 5.517 0.067 1 0 "[ . 1 . 2]" 1
1292 2 12 GLU HA 2 15 ALA H 3.060 . 4.320 3.625 3.490 3.695 . 0 0 "[ . 1 . 2]" 1
1293 2 12 GLU HA 2 15 ALA MB 2.305 . 2.810 2.865 2.810 2.927 0.117 10 0 "[ . 1 . 2]" 1
1294 2 12 GLU HA 2 16 GLU H 3.340 . 4.880 4.145 4.088 4.265 . 0 0 "[ . 1 . 2]" 1
1295 2 12 GLU HB2 2 13 LEU H 2.845 . 3.890 2.481 2.394 2.538 . 0 0 "[ . 1 . 2]" 1
1296 2 12 GLU HB2 2 13 LEU HG 3.610 . 5.420 3.311 3.183 3.441 . 0 0 "[ . 1 . 2]" 1
1297 2 12 GLU HB3 2 13 LEU H 2.805 . 3.810 3.533 3.320 3.679 . 0 0 "[ . 1 . 2]" 1
1298 2 12 GLU HB3 2 13 LEU HA 3.050 . 4.300 4.342 4.163 4.469 0.169 13 0 "[ . 1 . 2]" 1
1299 2 12 GLU HB3 2 13 LEU MD2 3.425 . 5.050 4.509 4.206 4.736 . 0 0 "[ . 1 . 2]" 1
1300 2 12 GLU HG2 2 13 LEU H 3.350 . 4.900 4.452 4.024 4.894 . 0 0 "[ . 1 . 2]" 1
1301 2 12 GLU HG3 2 13 LEU H 3.640 . 5.480 4.519 4.088 4.901 . 0 0 "[ . 1 . 2]" 1
1302 2 13 LEU H 2 13 LEU HB2 2.550 . 3.300 2.445 2.405 2.473 . 0 0 "[ . 1 . 2]" 1
1303 2 13 LEU H 2 13 LEU HB3 2.990 . 4.180 3.576 3.561 3.585 . 0 0 "[ . 1 . 2]" 1
1304 2 13 LEU H 2 13 LEU MD1 2.940 . 4.080 3.486 3.437 3.527 . 0 0 "[ . 1 . 2]" 1
1305 2 13 LEU H 2 13 LEU MD2 2.775 . 3.750 3.506 3.472 3.551 . 0 0 "[ . 1 . 2]" 1
1306 2 13 LEU H 2 13 LEU HG 2.505 . 3.210 2.322 2.282 2.355 . 0 0 "[ . 1 . 2]" 1
1307 2 13 LEU H 2 35 ILE MD 3.580 . 5.360 4.601 4.440 4.660 . 0 0 "[ . 1 . 2]" 1
1308 2 13 LEU H 2 35 ILE HG12 3.345 . 4.890 4.581 4.444 4.657 . 0 0 "[ . 1 . 2]" 1
1309 2 13 LEU HA 2 13 LEU MD1 3.090 . 4.380 3.872 3.859 3.892 . 0 0 "[ . 1 . 2]" 1
1310 2 13 LEU HA 2 13 LEU MD2 2.480 . 3.160 2.090 2.036 2.148 . 0 0 "[ . 1 . 2]" 1
1311 2 13 LEU HA 2 13 LEU HG 2.940 . 4.080 2.983 2.959 3.011 . 0 0 "[ . 1 . 2]" 1
1312 2 13 LEU HA 2 15 ALA H 3.470 . 5.140 4.373 4.327 4.437 . 0 0 "[ . 1 . 2]" 1
1313 2 13 LEU HA 2 16 GLU H 3.305 . 4.810 3.658 3.603 3.714 . 0 0 "[ . 1 . 2]" 1
1314 2 13 LEU HA 2 16 GLU HB2 3.555 . 5.310 2.998 2.889 3.081 . 0 0 "[ . 1 . 2]" 1
1315 2 13 LEU HA 2 16 GLU QB 3.120 . 4.440 2.964 2.858 3.044 . 0 0 "[ . 1 . 2]" 1
1316 2 13 LEU HA 2 16 GLU HB3 3.555 . 5.310 4.671 4.540 4.753 . 0 0 "[ . 1 . 2]" 1
1317 2 13 LEU HA 2 16 GLU QG 3.375 . 4.950 3.924 3.840 4.006 . 0 0 "[ . 1 . 2]" 1
1318 2 13 LEU HA 2 31 LEU MD2 2.755 . 3.710 2.627 2.561 2.751 . 0 0 "[ . 1 . 2]" 1
1319 2 13 LEU HA 2 35 ILE MD 3.140 . 4.480 3.852 3.798 3.906 . 0 0 "[ . 1 . 2]" 1
1320 2 13 LEU HA 2 35 ILE HG13 3.630 . 5.460 4.729 4.633 4.797 . 0 0 "[ . 1 . 2]" 1
1321 2 13 LEU HB2 2 13 LEU MD1 2.540 . 3.280 2.246 2.228 2.276 . 0 0 "[ . 1 . 2]" 1
1322 2 13 LEU HB2 2 13 LEU MD2 2.595 . 3.390 3.179 3.165 3.184 . 0 0 "[ . 1 . 2]" 1
1323 2 13 LEU HB2 2 15 ALA H 3.650 . 5.500 4.903 4.869 4.928 . 0 0 "[ . 1 . 2]" 1
1324 2 13 LEU HB2 2 35 ILE HA 2.885 . 3.970 4.007 3.826 4.053 0.083 13 0 "[ . 1 . 2]" 1
1325 2 13 LEU HB2 2 35 ILE MD 2.990 . 4.180 2.899 2.722 2.987 . 0 0 "[ . 1 . 2]" 1
1326 2 13 LEU HB3 2 13 LEU MD1 2.860 . 3.920 2.428 2.402 2.462 . 0 0 "[ . 1 . 2]" 1
1327 2 13 LEU HB3 2 13 LEU MD2 2.465 . 3.130 2.281 2.243 2.306 . 0 0 "[ . 1 . 2]" 1
1328 2 13 LEU HB3 2 14 MET H 2.810 . 3.820 3.490 3.454 3.520 . 0 0 "[ . 1 . 2]" 1
1329 2 13 LEU HB3 2 15 ALA H 3.650 . 5.500 5.463 5.430 5.501 0.001 17 0 "[ . 1 . 2]" 1
1330 2 13 LEU HB3 2 16 GLU H 3.650 . 5.500 5.536 5.507 5.562 0.062 3 0 "[ . 1 . 2]" 1
1331 2 13 LEU HB3 2 17 LYS H 3.590 . 5.380 4.778 4.724 4.841 . 0 0 "[ . 1 . 2]" 1
1332 2 13 LEU HB3 2 35 ILE H 3.225 . 4.650 4.198 4.045 4.296 . 0 0 "[ . 1 . 2]" 1
1333 2 13 LEU HB3 2 35 ILE MD 2.905 . 4.010 2.386 2.364 2.425 . 0 0 "[ . 1 . 2]" 1
1334 2 13 LEU MD1 2 14 MET H 3.260 . 4.720 4.303 4.230 4.356 . 0 0 "[ . 1 . 2]" 1
1335 2 13 LEU MD1 2 31 LEU HA 3.400 . 5.000 4.321 4.239 4.401 . 0 0 "[ . 1 . 2]" 1
1336 2 13 LEU MD1 2 34 GLU H 3.395 . 4.990 4.505 4.389 4.662 . 0 0 "[ . 1 . 2]" 1
1337 2 13 LEU MD1 2 34 GLU HA 3.445 . 5.090 4.161 4.086 4.265 . 0 0 "[ . 1 . 2]" 1
1338 2 13 LEU MD1 2 34 GLU HB2 3.040 . 4.280 3.698 3.590 3.837 . 0 0 "[ . 1 . 2]" 1
1339 2 13 LEU MD1 2 34 GLU HB3 3.170 . 4.540 2.314 2.136 2.578 . 0 0 "[ . 1 . 2]" 1
1340 2 13 LEU MD1 2 34 GLU HG2 2.715 . 3.630 2.457 2.308 2.676 . 0 0 "[ . 1 . 2]" 1
1341 2 13 LEU MD1 2 34 GLU HG3 2.770 . 3.740 2.183 1.824 2.411 . 0 0 "[ . 1 . 2]" 1
1342 2 13 LEU MD1 2 35 ILE H 3.095 . 4.390 3.133 2.926 3.285 . 0 0 "[ . 1 . 2]" 1
1343 2 13 LEU MD1 2 35 ILE HA 2.910 . 4.020 2.682 2.474 2.761 . 0 0 "[ . 1 . 2]" 1
1344 2 13 LEU MD1 2 35 ILE HB 3.435 . 5.070 4.341 4.224 4.413 . 0 0 "[ . 1 . 2]" 1
1345 2 13 LEU MD1 2 35 ILE MD 2.800 . 3.800 3.646 3.609 3.672 . 0 0 "[ . 1 . 2]" 1
1346 2 13 LEU MD1 2 35 ILE HG12 3.270 . 4.740 2.680 2.614 2.753 . 0 0 "[ . 1 . 2]" 1
1347 2 13 LEU MD1 2 35 ILE HG13 3.145 . 4.490 2.570 2.520 2.632 . 0 0 "[ . 1 . 2]" 1
1348 2 13 LEU MD1 2 38 ILE H 3.525 . 5.250 4.477 4.383 4.542 . 0 0 "[ . 1 . 2]" 1
1349 2 13 LEU MD1 2 38 ILE HB 3.350 . 4.900 4.085 3.965 4.167 . 0 0 "[ . 1 . 2]" 1
1350 2 13 LEU MD1 2 38 ILE MD 2.420 . 3.040 1.859 1.778 1.970 0.022 7 0 "[ . 1 . 2]" 1
1351 2 13 LEU MD1 2 38 ILE HG13 3.595 . 5.390 3.227 3.127 3.299 . 0 0 "[ . 1 . 2]" 1
1352 2 13 LEU MD1 2 38 ILE MG 3.115 . 4.430 4.109 4.025 4.200 . 0 0 "[ . 1 . 2]" 1
1353 2 13 LEU MD1 2 39 GLN QG 3.570 . 5.340 5.312 5.241 5.399 0.059 10 0 "[ . 1 . 2]" 1
1354 2 13 LEU MD2 2 14 MET H 3.320 . 4.840 4.675 4.651 4.714 . 0 0 "[ . 1 . 2]" 1
1355 2 13 LEU MD2 2 16 GLU H 3.635 . 5.470 5.212 5.093 5.323 . 0 0 "[ . 1 . 2]" 1
1356 2 13 LEU MD2 2 17 LYS H 3.650 . 5.500 5.090 4.965 5.208 . 0 0 "[ . 1 . 2]" 1
1357 2 13 LEU MD2 2 31 LEU H 3.650 . 5.500 5.505 5.446 5.559 0.059 1 0 "[ . 1 . 2]" 1
1358 2 13 LEU MD2 2 31 LEU HA 3.000 . 4.200 3.052 2.978 3.110 . 0 0 "[ . 1 . 2]" 1
1359 2 13 LEU MD2 2 31 LEU MD2 2.320 . 2.840 2.205 2.110 2.261 . 0 0 "[ . 1 . 2]" 1
1360 2 13 LEU MD2 2 34 GLU H 3.395 . 4.990 4.858 4.808 4.914 . 0 0 "[ . 1 . 2]" 1
1361 2 13 LEU MD2 2 34 GLU HA 3.515 . 5.230 5.244 5.182 5.283 0.053 18 0 "[ . 1 . 2]" 1
1362 2 13 LEU MD2 2 34 GLU HB2 3.205 . 4.610 3.775 3.705 3.847 . 0 0 "[ . 1 . 2]" 1
1363 2 13 LEU MD2 2 34 GLU HB3 3.325 . 4.850 2.766 2.714 2.817 . 0 0 "[ . 1 . 2]" 1
1364 2 13 LEU MD2 2 34 GLU HG2 2.870 . 3.940 2.685 2.437 2.873 . 0 0 "[ . 1 . 2]" 1
1365 2 13 LEU MD2 2 34 GLU HG3 2.745 . 3.690 3.527 3.189 3.698 0.008 9 0 "[ . 1 . 2]" 1
1366 2 13 LEU MD2 2 35 ILE H 3.180 . 4.560 4.337 4.225 4.406 . 0 0 "[ . 1 . 2]" 1
1367 2 13 LEU MD2 2 35 ILE MD 2.850 . 3.900 3.949 3.917 3.976 0.076 17 0 "[ . 1 . 2]" 1
1368 2 13 LEU MD2 2 35 ILE HG13 2.935 . 4.070 3.518 3.478 3.595 . 0 0 "[ . 1 . 2]" 1
1369 2 13 LEU MD2 2 38 ILE HG13 3.650 . 5.500 5.512 5.437 5.555 0.055 7 0 "[ . 1 . 2]" 1
1370 2 13 LEU HG 2 35 ILE MD 3.320 . 4.840 4.849 4.757 4.886 0.046 8 0 "[ . 1 . 2]" 1
1371 2 14 MET H 2 14 MET HB2 2.845 . 3.890 3.567 2.681 3.625 . 0 0 "[ . 1 . 2]" 1
1372 2 14 MET H 2 14 MET HB3 2.700 . 3.600 2.499 2.251 2.586 . 0 0 "[ . 1 . 2]" 1
1373 2 14 MET H 2 14 MET QG 2.750 . 3.700 2.352 2.130 3.868 0.168 17 0 "[ . 1 . 2]" 1
1374 2 14 MET H 2 15 ALA H 2.620 . 3.440 2.667 2.651 2.684 . 0 0 "[ . 1 . 2]" 1
1375 2 14 MET H 2 15 ALA MB 3.125 . 4.450 4.382 4.367 4.397 . 0 0 "[ . 1 . 2]" 1
1376 2 14 MET H 2 35 ILE MD 3.060 . 4.320 3.081 2.872 3.141 . 0 0 "[ . 1 . 2]" 1
1377 2 14 MET H 2 35 ILE HG13 3.315 . 4.830 4.764 4.628 4.840 0.010 1 0 "[ . 1 . 2]" 1
1378 2 14 MET HA 2 14 MET QG 2.595 . 3.390 3.306 2.541 3.353 . 0 0 "[ . 1 . 2]" 1
1379 2 14 MET HA 2 17 LYS HB3 2.500 . 3.200 2.093 1.927 2.198 . 0 0 "[ . 1 . 2]" 1
1380 2 14 MET HA 2 17 LYS HG2 3.065 . 4.330 3.909 3.715 4.076 . 0 0 "[ . 1 . 2]" 1
1381 2 14 MET HA 2 35 ILE MD 2.540 . 3.280 2.173 2.049 2.253 . 0 0 "[ . 1 . 2]" 1
1382 2 14 MET HA 2 35 ILE HG13 3.510 . 5.220 4.722 4.601 4.798 . 0 0 "[ . 1 . 2]" 1
1383 2 14 MET HB2 2 15 ALA H 3.250 . 4.700 3.942 3.889 4.088 . 0 0 "[ . 1 . 2]" 1
1384 2 14 MET HB2 2 15 ALA HA 3.500 . 5.200 4.690 4.559 5.663 0.463 17 0 "[ . 1 . 2]" 1
1385 2 14 MET HB2 2 17 LYS HD3 3.115 . 4.430 3.919 3.529 4.441 0.011 2 0 "[ . 1 . 2]" 1
1386 2 14 MET HB2 2 35 ILE MD 2.670 . 3.540 3.423 2.292 3.543 0.003 14 0 "[ . 1 . 2]" 1
1387 2 14 MET HB2 2 35 ILE HG12 3.630 . 5.460 5.249 3.708 5.423 . 0 0 "[ . 1 . 2]" 1
1388 2 14 MET HB2 2 35 ILE MG 3.130 . 4.460 4.409 3.175 4.511 0.051 8 0 "[ . 1 . 2]" 1
1389 2 14 MET HB3 2 14 MET ME 2.355 . 2.910 2.141 1.921 2.934 0.024 10 0 "[ . 1 . 2]" 1
1390 2 14 MET HB3 2 15 ALA H 3.215 . 4.630 3.922 2.813 4.047 . 0 0 "[ . 1 . 2]" 1
1391 2 14 MET HB3 2 17 LYS QE 3.650 . 5.500 5.602 5.520 6.310 0.810 17 1 "[ . 1 . + 2]" 1
1392 2 14 MET HB3 2 35 ILE MD 2.895 . 3.990 2.828 2.605 3.574 . 0 0 "[ . 1 . 2]" 1
1393 2 14 MET HB3 2 35 ILE HG12 3.650 . 5.500 3.922 3.765 4.775 . 0 0 "[ . 1 . 2]" 1
1394 2 14 MET HB3 2 35 ILE MG 2.800 . 3.800 3.564 3.381 4.519 0.719 17 1 "[ . 1 . + 2]" 1
1395 2 14 MET QG 2 15 ALA H 2.795 . 3.790 2.364 2.258 3.388 . 0 0 "[ . 1 . 2]" 1
1396 2 14 MET QG 2 15 ALA HA 3.255 . 4.710 3.310 3.206 3.427 . 0 0 "[ . 1 . 2]" 1
1397 2 14 MET QG 2 35 ILE MD 3.395 . 4.990 4.140 3.385 4.313 . 0 0 "[ . 1 . 2]" 1
1398 2 15 ALA H 2 15 ALA MB 2.275 . 2.750 2.257 2.242 2.265 . 0 0 "[ . 1 . 2]" 1
1399 2 15 ALA H 2 35 ILE MD 3.300 . 4.800 4.636 4.484 4.697 . 0 0 "[ . 1 . 2]" 1
1400 2 15 ALA HA 2 18 ASP H 2.995 . 4.190 3.471 3.327 3.613 . 0 0 "[ . 1 . 2]" 1
1401 2 15 ALA HA 2 18 ASP QB 2.625 . 3.450 3.034 2.694 3.374 . 0 0 "[ . 1 . 2]" 1
1402 2 15 ALA MB 2 16 GLU H 2.585 . 3.370 2.482 2.462 2.499 . 0 0 "[ . 1 . 2]" 1
1403 2 15 ALA MB 2 16 GLU HA 3.070 . 4.340 3.895 3.877 3.903 . 0 0 "[ . 1 . 2]" 1
1404 2 15 ALA MB 2 16 GLU QG 3.495 . 5.190 3.273 3.080 3.330 . 0 0 "[ . 1 . 2]" 1
1405 2 16 GLU H 2 16 GLU HB2 2.795 . 3.790 2.455 2.428 2.542 . 0 0 "[ . 1 . 2]" 1
1406 2 16 GLU H 2 16 GLU HB3 2.795 . 3.790 3.612 3.604 3.620 . 0 0 "[ . 1 . 2]" 1
1407 2 16 GLU H 2 16 GLU HG2 3.025 . 4.250 3.535 3.490 3.596 . 0 0 "[ . 1 . 2]" 1
1408 2 16 GLU H 2 16 GLU QG 2.675 . 3.550 2.341 2.080 2.426 . 0 0 "[ . 1 . 2]" 1
1409 2 16 GLU H 2 16 GLU HG3 3.025 . 4.250 2.376 2.096 2.467 . 0 0 "[ . 1 . 2]" 1
1410 2 16 GLU H 2 17 LYS H 2.640 . 3.480 2.498 2.459 2.545 . 0 0 "[ . 1 . 2]" 1
1411 2 16 GLU H 2 31 LEU MD2 3.140 . 4.480 4.258 4.190 4.340 . 0 0 "[ . 1 . 2]" 1
1412 2 16 GLU HA 2 16 GLU HG2 2.810 . 3.820 2.527 2.469 2.724 . 0 0 "[ . 1 . 2]" 1
1413 2 16 GLU HA 2 16 GLU HG3 2.810 . 3.820 3.079 2.981 3.116 . 0 0 "[ . 1 . 2]" 1
1414 2 16 GLU HA 2 31 LEU MD2 3.425 . 5.050 4.851 4.790 4.908 . 0 0 "[ . 1 . 2]" 1
1415 2 16 GLU QB 2 17 LYS H 2.635 . 3.470 2.535 2.485 2.589 . 0 0 "[ . 1 . 2]" 1
1416 2 16 GLU QB 2 31 LEU MD1 2.805 . 3.810 2.617 2.533 2.772 . 0 0 "[ . 1 . 2]" 1
1417 2 16 GLU QB 2 31 LEU MD2 2.800 . 3.800 2.432 2.383 2.524 . 0 0 "[ . 1 . 2]" 1
1418 2 16 GLU QB 2 31 LEU HG 3.570 . 5.340 4.481 4.405 4.621 . 0 0 "[ . 1 . 2]" 1
1419 2 16 GLU HB2 2 17 LYS H 2.950 . 4.100 2.590 2.527 2.650 . 0 0 "[ . 1 . 2]" 1
1420 2 16 GLU HB2 2 31 LEU MD1 3.185 . 4.570 3.099 2.959 3.278 . 0 0 "[ . 1 . 2]" 1
1421 2 16 GLU HB3 2 17 LYS H 2.950 . 4.100 3.602 3.533 3.682 . 0 0 "[ . 1 . 2]" 1
1422 2 16 GLU HB3 2 31 LEU MD1 3.185 . 4.570 2.823 2.705 2.991 . 0 0 "[ . 1 . 2]" 1
1423 2 16 GLU QG 2 31 LEU MD1 3.325 . 4.850 4.433 4.345 4.588 . 0 0 "[ . 1 . 2]" 1
1424 2 16 GLU QG 2 31 LEU MD2 3.030 . 4.260 4.038 3.986 4.157 . 0 0 "[ . 1 . 2]" 1
1425 2 16 GLU HG2 2 31 LEU MD1 3.650 . 5.500 4.905 4.819 5.086 . 0 0 "[ . 1 . 2]" 1
1426 2 16 GLU HG2 2 31 LEU MD2 3.345 . 4.890 4.744 4.672 4.900 0.010 9 0 "[ . 1 . 2]" 1
1427 2 16 GLU HG3 2 31 LEU MD1 3.650 . 5.500 5.054 4.940 5.219 . 0 0 "[ . 1 . 2]" 1
1428 2 16 GLU HG3 2 31 LEU MD2 3.345 . 4.890 4.374 4.299 4.494 . 0 0 "[ . 1 . 2]" 1
1429 2 17 LYS H 2 17 LYS HB2 2.595 . 3.390 2.801 2.701 2.847 . 0 0 "[ . 1 . 2]" 1
1430 2 17 LYS H 2 17 LYS HB3 2.595 . 3.390 2.284 2.233 2.333 . 0 0 "[ . 1 . 2]" 1
1431 2 17 LYS H 2 17 LYS HD2 3.650 . 5.500 5.144 4.978 5.261 . 0 0 "[ . 1 . 2]" 1
1432 2 17 LYS H 2 17 LYS HD3 3.350 . 4.900 4.651 4.541 4.800 . 0 0 "[ . 1 . 2]" 1
1433 2 17 LYS H 2 17 LYS HG2 3.015 . 4.230 4.255 4.215 4.308 0.078 5 0 "[ . 1 . 2]" 1
1434 2 17 LYS H 2 17 LYS HG3 3.595 . 5.390 4.556 4.517 4.582 . 0 0 "[ . 1 . 2]" 1
1435 2 17 LYS H 2 18 ASP H 2.625 . 3.450 2.835 2.770 2.900 . 0 0 "[ . 1 . 2]" 1
1436 2 17 LYS H 2 31 LEU HB3 3.390 . 4.980 4.129 3.920 4.256 . 0 0 "[ . 1 . 2]" 1
1437 2 17 LYS H 2 31 LEU MD1 3.015 . 4.230 3.021 2.863 3.158 . 0 0 "[ . 1 . 2]" 1
1438 2 17 LYS H 2 31 LEU MD2 2.715 . 3.630 3.190 3.154 3.235 . 0 0 "[ . 1 . 2]" 1
1439 2 17 LYS H 2 35 ILE MD 3.055 . 4.310 3.888 3.793 3.945 . 0 0 "[ . 1 . 2]" 1
1440 2 17 LYS HA 2 17 LYS HD2 3.305 . 4.810 4.420 4.213 4.514 . 0 0 "[ . 1 . 2]" 1
1441 2 17 LYS HA 2 17 LYS HD3 3.330 . 4.860 4.700 4.646 4.729 . 0 0 "[ . 1 . 2]" 1
1442 2 17 LYS HA 2 17 LYS QE 3.650 . 5.500 5.147 4.863 5.263 . 0 0 "[ . 1 . 2]" 1
1443 2 17 LYS HA 2 17 LYS HG2 2.770 . 3.740 3.386 3.274 3.528 . 0 0 "[ . 1 . 2]" 1
1444 2 17 LYS HA 2 17 LYS HG3 2.695 . 3.590 2.819 2.730 2.879 . 0 0 "[ . 1 . 2]" 1
1445 2 17 LYS HA 2 19 SER H 3.570 . 5.340 4.119 4.020 4.276 . 0 0 "[ . 1 . 2]" 1
1446 2 17 LYS HA 2 20 LEU H 3.245 . 4.690 3.676 3.536 3.785 . 0 0 "[ . 1 . 2]" 1
1447 2 17 LYS HA 2 20 LEU HB2 2.940 . 4.080 3.250 3.018 3.348 . 0 0 "[ . 1 . 2]" 1
1448 2 17 LYS HA 2 20 LEU HB3 2.985 . 4.170 3.448 3.329 3.657 . 0 0 "[ . 1 . 2]" 1
1449 2 17 LYS HA 2 20 LEU MD1 3.515 . 5.230 4.634 4.379 4.735 . 0 0 "[ . 1 . 2]" 1
1450 2 17 LYS HA 2 20 LEU MD2 2.730 . 3.660 3.653 3.542 3.704 0.044 6 0 "[ . 1 . 2]" 1
1451 2 17 LYS HA 2 31 LEU MD1 2.560 . 3.320 1.782 1.748 1.849 0.052 10 0 "[ . 1 . 2]" 1
1452 2 17 LYS HA 2 35 ILE MD 3.515 . 5.230 4.569 4.385 4.658 . 0 0 "[ . 1 . 2]" 1
1453 2 17 LYS HB2 2 18 ASP H 3.080 . 4.360 3.971 3.930 4.007 . 0 0 "[ . 1 . 2]" 1
1454 2 17 LYS HB2 2 31 LEU HB3 2.890 . 3.980 2.138 1.942 2.299 . 0 0 "[ . 1 . 2]" 1
1455 2 17 LYS HB2 2 31 LEU MD1 3.160 . 4.520 2.774 2.668 2.887 . 0 0 "[ . 1 . 2]" 1
1456 2 17 LYS HB2 2 31 LEU MD2 3.285 . 4.770 3.123 2.979 3.203 . 0 0 "[ . 1 . 2]" 1
1457 2 17 LYS HB2 2 35 ILE MD 2.900 . 4.000 2.640 2.482 2.741 . 0 0 "[ . 1 . 2]" 1
1458 2 17 LYS HB3 2 17 LYS QE 3.210 . 4.620 4.048 3.855 4.190 . 0 0 "[ . 1 . 2]" 1
1459 2 17 LYS HB3 2 18 ASP H 2.685 . 3.570 2.628 2.571 2.672 . 0 0 "[ . 1 . 2]" 1
1460 2 17 LYS HB3 2 18 ASP HA 3.370 . 4.940 4.596 4.508 4.696 . 0 0 "[ . 1 . 2]" 1
1461 2 17 LYS HB3 2 18 ASP QB 3.115 . 4.430 4.215 4.031 4.442 0.012 14 0 "[ . 1 . 2]" 1
1462 2 17 LYS HB3 2 31 LEU MD2 2.920 . 4.040 4.075 4.055 4.104 0.064 4 0 "[ . 1 . 2]" 1
1463 2 17 LYS HB3 2 35 ILE MD 2.930 . 4.060 2.750 2.651 2.826 . 0 0 "[ . 1 . 2]" 1
1464 2 17 LYS HD2 2 18 ASP H 3.650 . 5.500 5.363 5.211 5.526 0.026 8 0 "[ . 1 . 2]" 1
1465 2 17 LYS HD2 2 31 LEU HB3 3.135 . 4.470 3.598 3.293 3.784 . 0 0 "[ . 1 . 2]" 1
1466 2 17 LYS HD2 2 35 ILE MD 2.770 . 3.740 2.025 1.788 2.483 0.012 5 0 "[ . 1 . 2]" 1
1467 2 17 LYS HD3 2 18 ASP H 3.490 . 5.180 4.384 4.137 4.759 . 0 0 "[ . 1 . 2]" 1
1468 2 17 LYS HD3 2 31 LEU HB3 3.210 . 4.620 4.602 4.177 4.725 0.105 17 0 "[ . 1 . 2]" 1
1469 2 17 LYS HD3 2 35 ILE MD 2.455 . 3.110 2.166 1.955 2.345 . 0 0 "[ . 1 . 2]" 1
1470 2 17 LYS QE 2 17 LYS HG2 2.790 . 3.780 2.687 2.333 2.963 . 0 0 "[ . 1 . 2]" 1
1471 2 17 LYS QE 2 32 THR HA 3.535 . 5.270 3.627 2.951 4.252 . 0 0 "[ . 1 . 2]" 1
1472 2 17 LYS QE 2 32 THR MG 3.245 . 4.690 3.344 2.905 3.943 . 0 0 "[ . 1 . 2]" 1
1473 2 17 LYS QE 2 35 ILE MD 2.855 . 3.910 3.191 3.008 3.501 . 0 0 "[ . 1 . 2]" 1
1474 2 17 LYS QE 2 35 ILE MG 3.605 . 5.410 4.080 3.815 4.684 . 0 0 "[ . 1 . 2]" 1
1475 2 17 LYS HG2 2 18 ASP H 2.845 . 3.890 3.009 2.866 3.209 . 0 0 "[ . 1 . 2]" 1
1476 2 17 LYS HG2 2 18 ASP HA 3.055 . 4.310 3.076 2.889 3.321 . 0 0 "[ . 1 . 2]" 1
1477 2 17 LYS HG2 2 18 ASP QB 2.825 . 3.850 3.856 3.621 3.950 0.100 14 0 "[ . 1 . 2]" 1
1478 2 17 LYS HG2 2 19 SER H 3.550 . 5.300 4.900 4.689 5.163 . 0 0 "[ . 1 . 2]" 1
1479 2 17 LYS HG2 2 35 ILE MD 3.210 . 4.620 3.957 3.846 4.084 . 0 0 "[ . 1 . 2]" 1
1480 2 17 LYS HG3 2 35 ILE MD 3.365 . 4.930 3.823 3.686 4.072 . 0 0 "[ . 1 . 2]" 1
1481 2 18 ASP H 2 18 ASP QB 2.365 . 2.930 2.237 2.151 2.308 . 0 0 "[ . 1 . 2]" 1
1482 2 18 ASP H 2 19 SER H 2.565 . 3.330 2.554 2.479 2.636 . 0 0 "[ . 1 . 2]" 1
1483 2 18 ASP H 2 19 SER HA 3.650 . 5.500 5.156 5.081 5.239 . 0 0 "[ . 1 . 2]" 1
1484 2 18 ASP H 2 19 SER HB2 3.650 . 5.500 4.770 4.649 4.890 . 0 0 "[ . 1 . 2]" 1
1485 2 18 ASP H 2 31 LEU MD1 3.650 . 5.500 4.668 4.559 4.737 . 0 0 "[ . 1 . 2]" 1
1486 2 18 ASP H 2 31 LEU MD2 3.650 . 5.500 5.535 5.500 5.558 0.058 14 0 "[ . 1 . 2]" 1
1487 2 18 ASP H 2 35 ILE MD 3.600 . 5.400 4.867 4.751 4.985 . 0 0 "[ . 1 . 2]" 1
1488 2 18 ASP HA 2 18 ASP QB 2.375 . 2.950 2.416 2.326 2.490 . 0 0 "[ . 1 . 2]" 1
1489 2 18 ASP HA 2 20 LEU H 3.445 . 5.090 4.098 3.766 4.313 . 0 0 "[ . 1 . 2]" 1
1490 2 18 ASP QB 2 19 SER H 2.660 . 3.520 3.109 2.848 3.339 . 0 0 "[ . 1 . 2]" 1
1491 2 18 ASP QB 2 19 SER HA 3.305 . 4.810 4.166 4.062 4.282 . 0 0 "[ . 1 . 2]" 1
1492 2 18 ASP QB 2 19 SER HB2 3.405 . 5.010 4.831 4.616 5.031 0.021 18 0 "[ . 1 . 2]" 1
1493 2 18 ASP QB 2 20 LEU H 3.400 . 5.000 4.782 4.714 4.895 . 0 0 "[ . 1 . 2]" 1
1494 2 19 SER H 2 19 SER HB2 2.615 . 3.430 2.502 2.450 2.539 . 0 0 "[ . 1 . 2]" 1
1495 2 19 SER H 2 20 LEU H 2.365 . 2.930 2.195 2.082 2.356 . 0 0 "[ . 1 . 2]" 1
1496 2 19 SER H 2 20 LEU HA 3.345 . 4.890 4.752 4.666 4.873 . 0 0 "[ . 1 . 2]" 1
1497 2 19 SER H 2 20 LEU HB2 3.065 . 4.330 4.022 3.872 4.185 . 0 0 "[ . 1 . 2]" 1
1498 2 19 SER H 2 20 LEU HB3 3.650 . 5.500 4.710 4.550 5.035 . 0 0 "[ . 1 . 2]" 1
1499 2 19 SER H 2 20 LEU MD1 3.650 . 5.500 5.272 5.099 5.413 . 0 0 "[ . 1 . 2]" 1
1500 2 19 SER HA 2 20 LEU HB2 3.650 . 5.500 5.529 5.472 5.562 0.062 4 0 "[ . 1 . 2]" 1
1501 2 19 SER HB2 2 20 LEU H 3.200 . 4.600 3.250 3.095 3.401 . 0 0 "[ . 1 . 2]" 1
1502 2 19 SER HB2 2 20 LEU HB2 3.255 . 4.710 4.445 4.378 4.532 . 0 0 "[ . 1 . 2]" 1
1503 2 19 SER HB2 2 20 LEU MD1 3.650 . 5.500 4.790 4.540 4.895 . 0 0 "[ . 1 . 2]" 1
1504 2 19 SER HB3 2 20 LEU H 3.625 . 5.450 4.134 4.039 4.211 . 0 0 "[ . 1 . 2]" 1
1505 2 19 SER HB3 2 20 LEU HB2 3.650 . 5.500 5.568 5.538 5.604 0.104 8 0 "[ . 1 . 2]" 1
1506 2 19 SER HB3 2 20 LEU MD1 3.650 . 5.500 5.448 5.224 5.509 0.009 8 0 "[ . 1 . 2]" 1
1507 2 20 LEU H 2 20 LEU HB2 2.535 . 3.270 2.321 2.191 2.392 . 0 0 "[ . 1 . 2]" 1
1508 2 20 LEU H 2 20 LEU HB3 2.530 . 3.260 2.700 2.657 2.862 . 0 0 "[ . 1 . 2]" 1
1509 2 20 LEU H 2 20 LEU MD1 3.020 . 4.240 3.910 3.701 3.983 . 0 0 "[ . 1 . 2]" 1
1510 2 20 LEU H 2 20 LEU MD2 3.050 . 4.300 4.277 4.248 4.305 0.005 14 0 "[ . 1 . 2]" 1
1511 2 20 LEU H 2 20 LEU HG 3.240 . 4.680 4.515 4.500 4.533 . 0 0 "[ . 1 . 2]" 1
1512 2 20 LEU H 2 28 MET ME 3.220 . 4.640 3.537 3.142 3.668 . 0 0 "[ . 1 . 2]" 1
1513 2 20 LEU H 2 31 LEU MD1 3.360 . 4.920 4.188 4.097 4.310 . 0 0 "[ . 1 . 2]" 1
1514 2 20 LEU HA 2 20 LEU MD1 2.440 . 3.080 2.215 2.100 2.253 . 0 0 "[ . 1 . 2]" 1
1515 2 20 LEU HA 2 20 LEU MD2 3.075 . 4.350 3.849 3.819 3.859 . 0 0 "[ . 1 . 2]" 1
1516 2 20 LEU HA 2 20 LEU HG 2.965 . 4.130 2.720 2.621 2.767 . 0 0 "[ . 1 . 2]" 1
1517 2 20 LEU HA 2 21 ASP H 2.475 . 3.150 2.223 2.207 2.236 . 0 0 "[ . 1 . 2]" 1
1518 2 20 LEU HA 2 21 ASP HB2 3.540 . 5.280 4.370 4.319 4.412 . 0 0 "[ . 1 . 2]" 1
1519 2 20 LEU HA 2 21 ASP HB3 3.540 . 5.280 4.828 4.785 4.889 . 0 0 "[ . 1 . 2]" 1
1520 2 20 LEU HB2 2 20 LEU MD1 2.600 . 3.400 2.249 2.233 2.282 . 0 0 "[ . 1 . 2]" 1
1521 2 20 LEU HB2 2 20 LEU MD2 2.550 . 3.300 2.543 2.447 2.566 . 0 0 "[ . 1 . 2]" 1
1522 2 20 LEU HB2 2 21 ASP H 3.125 . 4.450 4.189 4.151 4.235 . 0 0 "[ . 1 . 2]" 1
1523 2 20 LEU HB3 2 20 LEU MD1 2.950 . 4.100 3.176 3.170 3.188 . 0 0 "[ . 1 . 2]" 1
1524 2 20 LEU HB3 2 20 LEU MD2 2.410 . 3.020 2.193 2.161 2.287 . 0 0 "[ . 1 . 2]" 1
1525 2 20 LEU HB3 2 21 ASP H 3.105 . 4.410 3.744 3.634 3.785 . 0 0 "[ . 1 . 2]" 1
1526 2 20 LEU HB3 2 28 MET ME 2.410 . 3.020 2.075 1.901 2.200 . 0 0 "[ . 1 . 2]" 1
1527 2 20 LEU HB3 2 28 MET HG3 3.070 . 4.340 4.249 3.927 4.355 0.015 13 0 "[ . 1 . 2]" 1
1528 2 20 LEU MD1 2 21 ASP H 2.620 . 3.440 3.097 2.968 3.310 . 0 0 "[ . 1 . 2]" 1
1529 2 20 LEU MD1 2 21 ASP HB2 3.650 . 5.500 4.999 4.828 5.254 . 0 0 "[ . 1 . 2]" 1
1530 2 20 LEU MD1 2 21 ASP HB3 3.650 . 5.500 4.845 4.665 5.154 . 0 0 "[ . 1 . 2]" 1
1531 2 20 LEU MD1 2 27 ALA HA 3.650 . 5.500 5.534 5.461 5.581 0.081 20 0 "[ . 1 . 2]" 1
1532 2 20 LEU MD1 2 28 MET HA 3.475 . 5.150 5.083 4.975 5.127 . 0 0 "[ . 1 . 2]" 1
1533 2 20 LEU MD1 2 28 MET ME 3.060 . 4.320 3.979 3.811 4.452 0.132 11 0 "[ . 1 . 2]" 1
1534 2 20 LEU MD1 2 31 LEU MD1 2.650 . 3.500 2.805 2.664 2.888 . 0 0 "[ . 1 . 2]" 1
1535 2 20 LEU MD2 2 21 ASP H 3.095 . 4.390 4.003 3.960 4.080 . 0 0 "[ . 1 . 2]" 1
1536 2 20 LEU MD2 2 24 PHE H 3.255 . 4.710 4.580 4.455 4.676 . 0 0 "[ . 1 . 2]" 1
1537 2 20 LEU MD2 2 24 PHE HA 3.520 . 5.240 5.254 5.150 5.277 0.037 3 0 "[ . 1 . 2]" 1
1538 2 20 LEU MD2 2 24 PHE HB2 2.700 . 3.600 2.806 2.652 2.878 . 0 0 "[ . 1 . 2]" 1
1539 2 20 LEU MD2 2 24 PHE HB3 2.780 . 3.760 3.519 3.477 3.555 . 0 0 "[ . 1 . 2]" 1
1540 2 20 LEU MD2 2 24 PHE QD 2.995 . 4.190 3.950 3.892 4.038 . 0 0 "[ . 1 . 2]" 1
1541 2 20 LEU MD2 2 27 ALA H 3.275 . 4.750 4.381 4.310 4.413 . 0 0 "[ . 1 . 2]" 1
1542 2 20 LEU MD2 2 27 ALA MB 2.445 . 3.090 1.938 1.856 1.968 . 0 0 "[ . 1 . 2]" 1
1543 2 20 LEU MD2 2 28 MET H 2.790 . 3.780 3.146 2.995 3.201 . 0 0 "[ . 1 . 2]" 1
1544 2 20 LEU MD2 2 28 MET HA 2.620 . 3.440 2.527 2.426 2.596 . 0 0 "[ . 1 . 2]" 1
1545 2 20 LEU MD2 2 28 MET QB 2.910 . 4.020 3.537 3.498 3.558 . 0 0 "[ . 1 . 2]" 1
1546 2 20 LEU MD2 2 28 MET ME 2.475 . 3.150 2.140 1.900 3.131 . 0 0 "[ . 1 . 2]" 1
1547 2 20 LEU MD2 2 28 MET HG2 3.120 . 4.440 1.745 1.685 1.771 0.115 11 0 "[ . 1 . 2]" 1
1548 2 20 LEU MD2 2 28 MET HG3 3.115 . 4.430 3.301 2.690 3.378 . 0 0 "[ . 1 . 2]" 1
1549 2 20 LEU MD2 2 29 GLN H 3.390 . 4.980 4.865 4.736 4.941 . 0 0 "[ . 1 . 2]" 1
1550 2 20 LEU MD2 2 31 LEU HB2 3.415 . 5.030 3.789 3.766 3.816 . 0 0 "[ . 1 . 2]" 1
1551 2 20 LEU MD2 2 31 LEU MD1 2.400 . 3.000 1.774 1.744 1.795 0.056 9 0 "[ . 1 . 2]" 1
1552 2 20 LEU HG 2 21 ASP H 2.915 . 4.030 2.376 2.317 2.453 . 0 0 "[ . 1 . 2]" 1
1553 2 20 LEU HG 2 21 ASP QB 3.210 . 4.620 3.839 3.734 4.005 . 0 0 "[ . 1 . 2]" 1
1554 2 20 LEU HG 2 24 PHE H 3.375 . 4.950 4.785 4.710 4.904 . 0 0 "[ . 1 . 2]" 1
1555 2 20 LEU HG 2 24 PHE HB2 2.925 . 4.050 3.373 3.195 3.447 . 0 0 "[ . 1 . 2]" 1
1556 2 20 LEU HG 2 24 PHE HB3 3.410 . 5.020 4.743 4.538 4.841 . 0 0 "[ . 1 . 2]" 1
1557 2 20 LEU HG 2 24 PHE QD 3.115 . 4.430 3.499 3.349 3.633 . 0 0 "[ . 1 . 2]" 1
1558 2 20 LEU HG 2 28 MET HA 3.510 . 5.220 5.109 4.984 5.200 . 0 0 "[ . 1 . 2]" 1
1559 2 20 LEU HG 2 28 MET QB 3.650 . 5.500 5.501 5.381 5.535 0.035 1 0 "[ . 1 . 2]" 1
1560 2 20 LEU HG 2 28 MET ME 3.130 . 4.460 3.910 3.747 4.261 . 0 0 "[ . 1 . 2]" 1
1561 2 21 ASP H 2 21 ASP HB2 2.645 . 3.490 2.476 2.421 2.546 . 0 0 "[ . 1 . 2]" 1
1562 2 21 ASP H 2 21 ASP HB3 2.645 . 3.490 2.611 2.568 2.659 . 0 0 "[ . 1 . 2]" 1
1563 2 21 ASP H 2 22 PRO HD2 3.610 . 5.420 4.786 4.745 4.814 . 0 0 "[ . 1 . 2]" 1
1564 2 21 ASP H 2 22 PRO QD 3.245 . 4.690 4.338 4.311 4.363 . 0 0 "[ . 1 . 2]" 1
1565 2 21 ASP H 2 22 PRO HD3 3.610 . 5.420 4.965 4.917 5.029 . 0 0 "[ . 1 . 2]" 1
1566 2 21 ASP H 2 24 PHE QD 2.990 . 4.180 3.442 3.332 3.585 . 0 0 "[ . 1 . 2]" 1
1567 2 21 ASP HA 2 22 PRO QB 3.405 . 5.010 4.567 4.551 4.587 . 0 0 "[ . 1 . 2]" 1
1568 2 21 ASP HA 2 22 PRO HD2 2.510 . 3.220 2.092 2.019 2.147 . 0 0 "[ . 1 . 2]" 1
1569 2 21 ASP HA 2 22 PRO HD3 2.510 . 3.220 2.374 2.346 2.431 . 0 0 "[ . 1 . 2]" 1
1570 2 21 ASP HA 2 22 PRO QG 2.930 . 4.060 3.858 3.825 3.884 . 0 0 "[ . 1 . 2]" 1
1571 2 21 ASP QB 2 22 PRO QD 2.960 . 4.120 3.332 3.269 3.394 . 0 0 "[ . 1 . 2]" 1
1572 2 21 ASP QB 2 22 PRO QG 3.570 . 5.340 4.710 4.618 4.776 . 0 0 "[ . 1 . 2]" 1
1573 2 21 ASP QB 2 23 SER H 3.080 . 4.360 3.324 3.225 3.404 . 0 0 "[ . 1 . 2]" 1
1574 2 21 ASP QB 2 23 SER QB 3.060 . 4.320 3.487 3.271 4.295 . 0 0 "[ . 1 . 2]" 1
1575 2 21 ASP QB 2 24 PHE QD 2.550 . 3.300 2.116 1.899 2.361 . 0 0 "[ . 1 . 2]" 1
1576 2 21 ASP QB 2 24 PHE QE 2.715 . 3.630 2.094 1.915 2.372 . 0 0 "[ . 1 . 2]" 1
1577 2 21 ASP HB2 2 23 SER H 3.430 . 5.060 4.536 4.479 4.588 . 0 0 "[ . 1 . 2]" 1
1578 2 21 ASP HB2 2 24 PHE QD 2.900 . 4.000 3.806 3.601 4.015 0.015 10 0 "[ . 1 . 2]" 1
1579 2 21 ASP HB2 2 24 PHE QE 2.980 . 4.160 3.235 2.951 3.595 . 0 0 "[ . 1 . 2]" 1
1580 2 21 ASP HB3 2 23 SER H 3.430 . 5.060 3.419 3.307 3.510 . 0 0 "[ . 1 . 2]" 1
1581 2 21 ASP HB3 2 24 PHE QD 2.900 . 4.000 2.127 1.906 2.378 . 0 0 "[ . 1 . 2]" 1
1582 2 21 ASP HB3 2 24 PHE QE 2.980 . 4.160 2.121 1.935 2.407 . 0 0 "[ . 1 . 2]" 1
1583 2 22 PRO HA 2 24 PHE H 3.055 . 4.310 3.590 3.545 3.657 . 0 0 "[ . 1 . 2]" 1
1584 2 22 PRO QD 2 23 SER H 3.025 . 4.250 2.943 2.874 3.041 . 0 0 "[ . 1 . 2]" 1
1585 2 22 PRO HD2 2 23 SER H 3.445 . 5.090 3.021 2.943 3.130 . 0 0 "[ . 1 . 2]" 1
1586 2 22 PRO HD3 2 23 SER H 3.445 . 5.090 4.063 4.018 4.130 . 0 0 "[ . 1 . 2]" 1
1587 2 22 PRO QG 2 23 SER H 2.800 . 3.800 2.766 2.731 2.808 . 0 0 "[ . 1 . 2]" 1
1588 2 22 PRO QG 2 23 SER HA 2.985 . 4.170 4.215 4.193 4.247 0.077 11 0 "[ . 1 . 2]" 1
1589 2 22 PRO QG 2 23 SER HB2 3.650 . 5.500 4.425 3.994 5.535 0.035 12 0 "[ . 1 . 2]" 1
1590 2 22 PRO QG 2 23 SER HB3 3.650 . 5.500 5.004 4.129 5.518 0.018 10 0 "[ . 1 . 2]" 1
1591 2 22 PRO QG 2 24 PHE H 3.620 . 5.440 4.956 4.928 4.993 . 0 0 "[ . 1 . 2]" 1
1592 2 23 SER H 2 23 SER HB2 2.875 . 3.950 2.637 2.409 3.600 . 0 0 "[ . 1 . 2]" 1
1593 2 23 SER H 2 23 SER QB 2.485 . 3.170 2.374 2.239 2.623 . 0 0 "[ . 1 . 2]" 1
1594 2 23 SER H 2 23 SER HB3 2.875 . 3.950 2.859 2.562 3.610 . 0 0 "[ . 1 . 2]" 1
1595 2 23 SER H 2 24 PHE H 2.575 . 3.350 2.636 2.590 2.690 . 0 0 "[ . 1 . 2]" 1
1596 2 23 SER H 2 24 PHE HB2 3.650 . 5.500 4.988 4.954 5.032 . 0 0 "[ . 1 . 2]" 1
1597 2 23 SER H 2 24 PHE QD 3.125 . 4.450 3.523 3.412 3.625 . 0 0 "[ . 1 . 2]" 1
1598 2 23 SER HA 2 25 THR H 3.650 . 5.500 4.515 4.405 4.654 . 0 0 "[ . 1 . 2]" 1
1599 2 23 SER QB 2 24 PHE H 3.000 . 4.200 3.057 2.932 3.640 . 0 0 "[ . 1 . 2]" 1
1600 2 23 SER QB 2 24 PHE QD 2.930 . 4.060 3.346 3.154 4.143 0.083 12 0 "[ . 1 . 2]" 1
1601 2 23 SER HB2 2 24 PHE H 3.390 . 4.980 3.828 3.015 4.164 . 0 0 "[ . 1 . 2]" 1
1602 2 23 SER HB3 2 24 PHE H 3.390 . 4.980 3.445 3.004 4.246 . 0 0 "[ . 1 . 2]" 1
1603 2 24 PHE H 2 24 PHE HB2 2.590 . 3.380 2.549 2.535 2.576 . 0 0 "[ . 1 . 2]" 1
1604 2 24 PHE H 2 24 PHE HB3 2.755 . 3.710 3.670 3.665 3.679 . 0 0 "[ . 1 . 2]" 1
1605 2 24 PHE H 2 24 PHE QD 2.655 . 3.510 2.185 2.097 2.247 . 0 0 "[ . 1 . 2]" 1
1606 2 24 PHE H 2 24 PHE QE 2.975 . 4.150 4.244 4.228 4.262 0.112 10 0 "[ . 1 . 2]" 1
1607 2 24 PHE H 2 25 THR H 3.185 . 4.570 3.913 3.877 3.959 . 0 0 "[ . 1 . 2]" 1
1608 2 24 PHE H 2 27 ALA MB 3.355 . 4.910 4.578 4.520 4.650 . 0 0 "[ . 1 . 2]" 1
1609 2 24 PHE HA 2 24 PHE QD 3.010 . 4.220 3.066 3.028 3.142 . 0 0 "[ . 1 . 2]" 1
1610 2 24 PHE HA 2 25 THR H 2.430 . 3.060 2.253 2.239 2.269 . 0 0 "[ . 1 . 2]" 1
1611 2 24 PHE HA 2 25 THR MG 3.645 . 5.490 5.514 5.505 5.527 0.037 2 0 "[ . 1 . 2]" 1
1612 2 24 PHE HA 2 26 HIS H 3.325 . 4.850 3.936 3.800 4.027 . 0 0 "[ . 1 . 2]" 1
1613 2 24 PHE HA 2 27 ALA H 3.480 . 5.160 4.165 4.120 4.199 . 0 0 "[ . 1 . 2]" 1
1614 2 24 PHE HA 2 27 ALA MB 3.125 . 4.450 3.948 3.870 4.043 . 0 0 "[ . 1 . 2]" 1
1615 2 24 PHE HB2 2 25 THR H 3.335 . 4.870 4.435 4.422 4.448 . 0 0 "[ . 1 . 2]" 1
1616 2 24 PHE HB2 2 25 THR HA 3.650 . 5.500 5.129 5.066 5.185 . 0 0 "[ . 1 . 2]" 1
1617 2 24 PHE HB2 2 27 ALA H 3.545 . 5.290 4.150 4.092 4.212 . 0 0 "[ . 1 . 2]" 1
1618 2 24 PHE HB2 2 27 ALA MB 2.580 . 3.360 2.387 2.328 2.456 . 0 0 "[ . 1 . 2]" 1
1619 2 24 PHE HB2 2 28 MET H 3.380 . 4.960 3.602 3.511 3.708 . 0 0 "[ . 1 . 2]" 1
1620 2 24 PHE HB2 2 28 MET HG2 3.310 . 4.820 3.207 3.100 3.556 . 0 0 "[ . 1 . 2]" 1
1621 2 24 PHE HB3 2 25 THR H 3.195 . 4.590 4.071 4.049 4.099 . 0 0 "[ . 1 . 2]" 1
1622 2 24 PHE HB3 2 27 ALA H 3.000 . 4.200 3.073 2.957 3.123 . 0 0 "[ . 1 . 2]" 1
1623 2 24 PHE HB3 2 27 ALA HA 3.500 . 5.200 4.679 4.619 4.765 . 0 0 "[ . 1 . 2]" 1
1624 2 24 PHE HB3 2 27 ALA MB 2.460 . 3.120 2.039 1.977 2.126 . 0 0 "[ . 1 . 2]" 1
1625 2 24 PHE HB3 2 28 MET H 3.200 . 4.600 3.763 3.685 3.869 . 0 0 "[ . 1 . 2]" 1
1626 2 24 PHE HB3 2 28 MET QB 3.650 . 5.500 5.073 4.992 5.388 . 0 0 "[ . 1 . 2]" 1
1627 2 24 PHE QD 2 27 ALA MB 2.820 . 3.840 3.324 3.248 3.413 . 0 0 "[ . 1 . 2]" 1
1628 2 24 PHE QE 2 27 ALA MB 3.650 . 5.500 4.890 4.831 4.979 . 0 0 "[ . 1 . 2]" 1
1629 2 25 THR H 2 25 THR HB 2.480 . 3.160 2.518 2.415 2.621 . 0 0 "[ . 1 . 2]" 1
1630 2 25 THR H 2 25 THR MG 2.795 . 3.790 3.744 3.734 3.751 . 0 0 "[ . 1 . 2]" 1
1631 2 25 THR H 2 26 HIS H 2.655 . 3.510 2.825 2.731 2.891 . 0 0 "[ . 1 . 2]" 1
1632 2 25 THR H 2 27 ALA H 3.315 . 4.830 4.284 4.204 4.370 . 0 0 "[ . 1 . 2]" 1
1633 2 25 THR H 2 27 ALA MB 3.485 . 5.170 4.826 4.743 4.941 . 0 0 "[ . 1 . 2]" 1
1634 2 25 THR H 2 28 MET H 3.245 . 4.690 4.692 4.656 4.734 0.044 2 0 "[ . 1 . 2]" 1
1635 2 25 THR HA 2 25 THR MG 2.495 . 3.190 2.408 2.353 2.469 . 0 0 "[ . 1 . 2]" 1
1636 2 25 THR HA 2 26 HIS HA 3.455 . 5.110 4.673 4.652 4.705 . 0 0 "[ . 1 . 2]" 1
1637 2 25 THR HA 2 28 MET H 3.115 . 4.430 3.800 3.674 3.884 . 0 0 "[ . 1 . 2]" 1
1638 2 25 THR HA 2 28 MET QB 2.710 . 3.620 2.758 2.573 2.975 . 0 0 "[ . 1 . 2]" 1
1639 2 25 THR HA 2 28 MET HG2 3.545 . 5.290 4.819 4.574 5.284 . 0 0 "[ . 1 . 2]" 1
1640 2 25 THR HA 2 28 MET HG3 3.330 . 4.860 3.820 3.481 4.010 . 0 0 "[ . 1 . 2]" 1
1641 2 25 THR HA 2 29 GLN H 3.265 . 4.730 4.111 4.048 4.180 . 0 0 "[ . 1 . 2]" 1
1642 2 25 THR HA 2 29 GLN QB 3.260 . 4.720 4.477 4.317 4.641 . 0 0 "[ . 1 . 2]" 1
1643 2 25 THR HB 2 26 HIS H 2.865 . 3.930 2.448 2.319 2.620 . 0 0 "[ . 1 . 2]" 1
1644 2 25 THR HB 2 26 HIS HA 3.340 . 4.880 4.194 4.067 4.307 . 0 0 "[ . 1 . 2]" 1
1645 2 25 THR HB 2 26 HIS HB2 3.445 . 5.090 4.607 4.374 4.909 . 0 0 "[ . 1 . 2]" 1
1646 2 25 THR HB 2 27 ALA H 3.650 . 5.500 4.903 4.776 5.063 . 0 0 "[ . 1 . 2]" 1
1647 2 25 THR HB 2 28 MET H 3.650 . 5.500 5.519 5.500 5.550 0.050 11 0 "[ . 1 . 2]" 1
1648 2 25 THR HB 2 28 MET QB 3.650 . 5.500 5.297 5.180 5.514 0.014 2 0 "[ . 1 . 2]" 1
1649 2 25 THR HB 2 29 GLN QB 3.650 . 5.500 5.058 4.879 5.291 . 0 0 "[ . 1 . 2]" 1
1650 2 25 THR MG 2 26 HIS H 2.905 . 4.010 3.269 3.239 3.310 . 0 0 "[ . 1 . 2]" 1
1651 2 25 THR MG 2 26 HIS HB2 3.295 . 4.790 4.853 4.815 4.896 0.106 20 0 "[ . 1 . 2]" 1
1652 2 25 THR MG 2 26 HIS HE1 2.900 . 4.000 3.878 3.653 4.029 0.029 19 0 "[ . 1 . 2]" 1
1653 2 25 THR MG 2 27 ALA H 3.490 . 5.180 5.015 4.964 5.067 . 0 0 "[ . 1 . 2]" 1
1654 2 25 THR MG 2 29 GLN H 3.205 . 4.610 4.046 3.952 4.108 . 0 0 "[ . 1 . 2]" 1
1655 2 25 THR MG 2 29 GLN HA 3.420 . 5.040 5.098 5.072 5.128 0.088 7 0 "[ . 1 . 2]" 1
1656 2 26 HIS H 2 26 HIS HB2 2.765 . 3.730 2.455 2.397 2.542 . 0 0 "[ . 1 . 2]" 1
1657 2 26 HIS H 2 26 HIS HB3 2.910 . 4.020 3.596 3.587 3.612 . 0 0 "[ . 1 . 2]" 1
1658 2 26 HIS H 2 26 HIS HD2 3.145 . 4.490 3.431 3.218 3.795 . 0 0 "[ . 1 . 2]" 1
1659 2 26 HIS H 2 27 ALA H 2.725 . 3.650 2.559 2.547 2.593 . 0 0 "[ . 1 . 2]" 1
1660 2 26 HIS H 2 27 ALA HA 3.650 . 5.500 5.193 5.180 5.212 . 0 0 "[ . 1 . 2]" 1
1661 2 26 HIS H 2 27 ALA MB 3.130 . 4.460 4.206 4.168 4.234 . 0 0 "[ . 1 . 2]" 1
1662 2 26 HIS H 2 28 MET H 3.295 . 4.790 3.961 3.867 4.042 . 0 0 "[ . 1 . 2]" 1
1663 2 26 HIS H 2 29 GLN H 3.650 . 5.500 4.430 4.397 4.490 . 0 0 "[ . 1 . 2]" 1
1664 2 26 HIS H 2 30 LEU MD1 3.650 . 5.500 5.528 5.255 5.563 0.063 7 0 "[ . 1 . 2]" 1
1665 2 26 HIS HA 2 28 MET H 3.410 . 5.020 4.251 4.224 4.281 . 0 0 "[ . 1 . 2]" 1
1666 2 26 HIS HA 2 29 GLN H 2.960 . 4.120 3.090 3.013 3.224 . 0 0 "[ . 1 . 2]" 1
1667 2 26 HIS HA 2 29 GLN HA 3.625 . 5.450 4.978 4.851 5.241 . 0 0 "[ . 1 . 2]" 1
1668 2 26 HIS HA 2 29 GLN QB 2.665 . 3.530 2.117 1.915 3.001 . 0 0 "[ . 1 . 2]" 1
1669 2 26 HIS HA 2 29 GLN HG2 3.245 . 4.690 3.973 2.000 4.451 . 0 0 "[ . 1 . 2]" 1
1670 2 26 HIS HA 2 29 GLN HG3 3.525 . 5.250 4.794 3.598 5.297 0.047 20 0 "[ . 1 . 2]" 1
1671 2 26 HIS HA 2 30 LEU H 3.395 . 4.990 3.699 3.553 3.848 . 0 0 "[ . 1 . 2]" 1
1672 2 26 HIS HA 2 30 LEU MD1 3.480 . 5.160 4.263 3.815 4.344 . 0 0 "[ . 1 . 2]" 1
1673 2 26 HIS HB2 2 26 HIS HD2 2.795 . 3.790 2.684 2.657 2.729 . 0 0 "[ . 1 . 2]" 1
1674 2 26 HIS HB2 2 27 ALA H 3.010 . 4.220 2.634 2.497 2.728 . 0 0 "[ . 1 . 2]" 1
1675 2 26 HIS HB2 2 27 ALA HA 3.650 . 5.500 4.409 4.275 4.504 . 0 0 "[ . 1 . 2]" 1
1676 2 26 HIS HB2 2 28 MET H 3.650 . 5.500 5.002 4.884 5.088 . 0 0 "[ . 1 . 2]" 1
1677 2 26 HIS HB2 2 29 GLN H 3.650 . 5.500 5.281 5.245 5.349 . 0 0 "[ . 1 . 2]" 1
1678 2 26 HIS HB2 2 30 LEU MD1 3.330 . 4.860 3.953 3.774 4.035 . 0 0 "[ . 1 . 2]" 1
1679 2 26 HIS HB3 2 26 HIS HD2 2.700 . 3.600 3.626 3.494 3.672 0.072 3 0 "[ . 1 . 2]" 1
1680 2 26 HIS HB3 2 27 ALA H 2.945 . 4.090 3.659 3.559 3.706 . 0 0 "[ . 1 . 2]" 1
1681 2 26 HIS HB3 2 27 ALA HA 3.500 . 5.200 4.556 4.481 4.676 . 0 0 "[ . 1 . 2]" 1
1682 2 26 HIS HB3 2 28 MET H 3.650 . 5.500 5.543 5.481 5.564 0.064 9 0 "[ . 1 . 2]" 1
1683 2 26 HIS HB3 2 29 GLN H 3.650 . 5.500 5.065 4.998 5.216 . 0 0 "[ . 1 . 2]" 1
1684 2 26 HIS HB3 2 30 LEU MD1 3.145 . 4.490 3.026 2.709 3.171 . 0 0 "[ . 1 . 2]" 1
1685 2 26 HIS HD2 2 27 ALA H 3.650 . 5.500 4.913 4.577 5.163 . 0 0 "[ . 1 . 2]" 1
1686 2 27 ALA H 2 27 ALA MB 2.470 . 3.140 2.209 2.196 2.221 . 0 0 "[ . 1 . 2]" 1
1687 2 27 ALA H 2 28 MET H 2.775 . 3.750 2.673 2.656 2.692 . 0 0 "[ . 1 . 2]" 1
1688 2 27 ALA H 2 28 MET QB 3.650 . 5.500 4.491 4.430 4.689 . 0 0 "[ . 1 . 2]" 1
1689 2 27 ALA H 2 29 GLN H 3.555 . 5.310 3.991 3.922 4.111 . 0 0 "[ . 1 . 2]" 1
1690 2 27 ALA H 2 30 LEU MD1 3.405 . 5.010 4.261 4.053 4.352 . 0 0 "[ . 1 . 2]" 1
1691 2 27 ALA H 2 30 LEU HG 3.540 . 5.280 5.167 5.063 5.335 0.055 19 0 "[ . 1 . 2]" 1
1692 2 27 ALA HA 2 28 MET HG2 3.640 . 5.480 5.557 5.530 5.606 0.126 11 0 "[ . 1 . 2]" 1
1693 2 27 ALA HA 2 29 GLN H 3.545 . 5.290 4.399 4.317 4.481 . 0 0 "[ . 1 . 2]" 1
1694 2 27 ALA HA 2 30 LEU H 3.015 . 4.230 3.643 3.601 3.736 . 0 0 "[ . 1 . 2]" 1
1695 2 27 ALA HA 2 30 LEU HB2 2.725 . 3.650 3.132 3.047 3.238 . 0 0 "[ . 1 . 2]" 1
1696 2 27 ALA HA 2 30 LEU MD1 2.640 . 3.480 2.843 2.690 2.958 . 0 0 "[ . 1 . 2]" 1
1697 2 27 ALA HA 2 31 LEU H 3.160 . 4.520 4.212 4.175 4.252 . 0 0 "[ . 1 . 2]" 1
1698 2 27 ALA MB 2 28 MET H 2.590 . 3.380 2.454 2.425 2.485 . 0 0 "[ . 1 . 2]" 1
1699 2 27 ALA MB 2 28 MET HA 2.875 . 3.950 3.824 3.795 3.848 . 0 0 "[ . 1 . 2]" 1
1700 2 27 ALA MB 2 28 MET QB 3.085 . 4.370 4.051 4.015 4.172 . 0 0 "[ . 1 . 2]" 1
1701 2 27 ALA MB 2 28 MET HG2 2.645 . 3.490 3.372 3.329 3.506 0.016 2 0 "[ . 1 . 2]" 1
1702 2 27 ALA MB 2 30 LEU H 3.470 . 5.140 4.756 4.728 4.818 . 0 0 "[ . 1 . 2]" 1
1703 2 27 ALA MB 2 31 LEU H 3.480 . 5.160 4.844 4.791 4.902 . 0 0 "[ . 1 . 2]" 1
1704 2 28 MET H 2 28 MET QB 2.440 . 3.080 2.223 2.189 2.406 . 0 0 "[ . 1 . 2]" 1
1705 2 28 MET H 2 28 MET HG2 3.280 . 4.760 2.820 2.770 3.020 . 0 0 "[ . 1 . 2]" 1
1706 2 28 MET H 2 28 MET HG3 3.050 . 4.300 3.479 2.612 3.604 . 0 0 "[ . 1 . 2]" 1
1707 2 28 MET H 2 29 GLN H 2.540 . 3.280 2.534 2.487 2.599 . 0 0 "[ . 1 . 2]" 1
1708 2 28 MET H 2 29 GLN QB 3.490 . 5.180 4.249 4.128 4.620 . 0 0 "[ . 1 . 2]" 1
1709 2 28 MET H 2 30 LEU MD1 3.650 . 5.500 5.386 5.160 5.510 0.010 7 0 "[ . 1 . 2]" 1
1710 2 28 MET H 2 31 LEU MD1 3.135 . 4.470 4.495 4.460 4.514 0.044 1 0 "[ . 1 . 2]" 1
1711 2 28 MET HA 2 28 MET ME 2.350 . 2.900 1.889 1.740 2.978 0.078 11 0 "[ . 1 . 2]" 1
1712 2 28 MET HA 2 28 MET HG2 2.875 . 3.950 2.489 2.295 2.544 . 0 0 "[ . 1 . 2]" 1
1713 2 28 MET HA 2 28 MET HG3 2.930 . 4.060 3.651 3.468 3.683 . 0 0 "[ . 1 . 2]" 1
1714 2 28 MET HA 2 31 LEU H 3.120 . 4.440 3.655 3.596 3.707 . 0 0 "[ . 1 . 2]" 1
1715 2 28 MET HA 2 31 LEU HB2 3.055 . 4.310 2.757 2.732 2.782 . 0 0 "[ . 1 . 2]" 1
1716 2 28 MET HA 2 31 LEU HB3 3.030 . 4.260 4.290 4.270 4.304 0.044 3 0 "[ . 1 . 2]" 1
1717 2 28 MET HA 2 31 LEU MD1 2.710 . 3.620 2.560 2.480 2.604 . 0 0 "[ . 1 . 2]" 1
1718 2 28 MET HA 2 31 LEU HG 3.535 . 5.270 4.156 4.039 4.221 . 0 0 "[ . 1 . 2]" 1
1719 2 28 MET QB 2 29 GLN H 2.615 . 3.430 2.671 2.612 2.730 . 0 0 "[ . 1 . 2]" 1
1720 2 28 MET QB 2 29 GLN QB 2.965 . 4.130 3.912 3.781 4.020 . 0 0 "[ . 1 . 2]" 1
1721 2 28 MET QB 2 31 LEU MD1 3.340 . 4.880 4.395 4.249 4.440 . 0 0 "[ . 1 . 2]" 1
1722 2 28 MET HG2 2 29 GLN H 3.335 . 4.870 4.657 4.607 4.727 . 0 0 "[ . 1 . 2]" 1
1723 2 28 MET HG2 2 31 LEU MD1 3.410 . 5.020 3.806 3.473 3.888 . 0 0 "[ . 1 . 2]" 1
1724 2 29 GLN H 2 29 GLN QB 2.410 . 3.020 2.152 2.068 2.339 . 0 0 "[ . 1 . 2]" 1
1725 2 29 GLN H 2 29 GLN HG2 3.060 . 4.320 4.091 2.592 4.240 . 0 0 "[ . 1 . 2]" 1
1726 2 29 GLN H 2 29 GLN HG3 3.215 . 4.630 4.531 3.789 4.622 . 0 0 "[ . 1 . 2]" 1
1727 2 29 GLN H 2 30 LEU H 2.595 . 3.390 2.674 2.601 2.703 . 0 0 "[ . 1 . 2]" 1
1728 2 29 GLN H 2 30 LEU HB2 3.350 . 4.900 4.885 4.719 4.907 0.007 3 0 "[ . 1 . 2]" 1
1729 2 29 GLN HA 2 29 GLN HG2 2.775 . 3.750 3.374 3.109 3.799 0.049 19 0 "[ . 1 . 2]" 1
1730 2 29 GLN HA 2 29 GLN HG3 2.750 . 3.700 2.964 2.782 3.669 . 0 0 "[ . 1 . 2]" 1
1731 2 29 GLN HA 2 32 THR H 2.945 . 4.090 3.306 3.211 3.435 . 0 0 "[ . 1 . 2]" 1
1732 2 29 GLN HA 2 32 THR HB 2.650 . 3.500 2.587 2.460 2.733 . 0 0 "[ . 1 . 2]" 1
1733 2 29 GLN HA 2 32 THR MG 3.095 . 4.390 3.917 3.779 4.072 . 0 0 "[ . 1 . 2]" 1
1734 2 29 GLN QB 2 29 GLN HE21 3.650 . 5.500 2.893 1.772 3.798 0.028 17 0 "[ . 1 . 2]" 1
1735 2 29 GLN QB 2 29 GLN HE22 3.650 . 5.500 3.659 3.194 4.066 . 0 0 "[ . 1 . 2]" 1
1736 2 29 GLN QB 2 30 LEU H 2.695 . 3.590 2.783 2.671 3.383 . 0 0 "[ . 1 . 2]" 1
1737 2 29 GLN QB 2 30 LEU HB2 3.520 . 5.240 4.976 4.837 5.403 0.163 19 0 "[ . 1 . 2]" 1
1738 2 29 GLN QB 2 30 LEU MD1 3.270 . 4.740 4.655 4.469 4.959 0.219 19 0 "[ . 1 . 2]" 1
1739 2 29 GLN QB 2 30 LEU MD2 3.165 . 4.530 4.370 4.261 4.514 . 0 0 "[ . 1 . 2]" 1
1740 2 29 GLN QB 2 30 LEU HG 2.870 . 3.940 3.569 3.383 4.030 0.090 19 0 "[ . 1 . 2]" 1
1741 2 29 GLN QB 2 31 LEU H 3.650 . 5.500 4.823 4.761 5.129 . 0 0 "[ . 1 . 2]" 1
1742 2 29 GLN QB 2 32 THR H 3.490 . 5.180 4.896 4.832 4.976 . 0 0 "[ . 1 . 2]" 1
1743 2 29 GLN QB 2 32 THR HB 3.420 . 5.040 4.425 4.082 4.645 . 0 0 "[ . 1 . 2]" 1
1744 2 29 GLN HG2 2 30 LEU H 3.325 . 4.850 3.105 2.186 3.272 . 0 0 "[ . 1 . 2]" 1
1745 2 29 GLN HG2 2 30 LEU HG 2.730 . 3.660 3.243 2.228 3.469 . 0 0 "[ . 1 . 2]" 1
1746 2 29 GLN HG3 2 30 LEU H 3.365 . 4.930 4.320 2.647 4.585 . 0 0 "[ . 1 . 2]" 1
1747 2 29 GLN HG3 2 30 LEU HG 3.365 . 4.930 4.850 2.230 5.040 0.110 15 0 "[ . 1 . 2]" 1
1748 2 29 GLN HG3 2 33 ALA H 3.500 . 5.200 4.632 4.366 5.065 . 0 0 "[ . 1 . 2]" 1
1749 2 30 LEU H 2 30 LEU HB2 2.925 . 4.050 2.475 2.380 2.501 . 0 0 "[ . 1 . 2]" 1
1750 2 30 LEU H 2 30 LEU HB3 2.825 . 3.850 3.598 3.545 3.608 . 0 0 "[ . 1 . 2]" 1
1751 2 30 LEU H 2 30 LEU MD1 2.800 . 3.800 3.396 3.236 3.477 . 0 0 "[ . 1 . 2]" 1
1752 2 30 LEU H 2 30 LEU MD2 2.785 . 3.770 3.554 3.507 3.598 . 0 0 "[ . 1 . 2]" 1
1753 2 30 LEU H 2 30 LEU HG 2.465 . 3.130 2.278 2.240 2.326 . 0 0 "[ . 1 . 2]" 1
1754 2 30 LEU H 2 31 LEU H 2.625 . 3.450 2.636 2.610 2.652 . 0 0 "[ . 1 . 2]" 1
1755 2 30 LEU H 2 31 LEU HA 3.545 . 5.290 5.288 5.272 5.299 0.009 1 0 "[ . 1 . 2]" 1
1756 2 30 LEU H 2 31 LEU HB2 3.595 . 5.390 4.587 4.509 4.630 . 0 0 "[ . 1 . 2]" 1
1757 2 30 LEU H 2 31 LEU MD1 3.650 . 5.500 5.345 5.297 5.375 . 0 0 "[ . 1 . 2]" 1
1758 2 30 LEU H 2 31 LEU HG 3.610 . 5.420 5.052 4.992 5.122 . 0 0 "[ . 1 . 2]" 1
1759 2 30 LEU H 2 32 THR H 3.160 . 4.520 3.962 3.888 4.016 . 0 0 "[ . 1 . 2]" 1
1760 2 30 LEU H 2 33 ALA MB 3.635 . 5.470 4.765 4.673 4.848 . 0 0 "[ . 1 . 2]" 1
1761 2 30 LEU HA 2 30 LEU MD1 2.885 . 3.970 3.888 3.867 3.899 . 0 0 "[ . 1 . 2]" 1
1762 2 30 LEU HA 2 30 LEU MD2 2.340 . 2.880 2.120 2.072 2.149 . 0 0 "[ . 1 . 2]" 1
1763 2 30 LEU HA 2 30 LEU HG 2.690 . 3.580 2.884 2.797 2.940 . 0 0 "[ . 1 . 2]" 1
1764 2 30 LEU HA 2 33 ALA H 3.045 . 4.290 3.267 3.157 3.384 . 0 0 "[ . 1 . 2]" 1
1765 2 30 LEU HA 2 33 ALA MB 2.680 . 3.560 2.645 2.505 2.752 . 0 0 "[ . 1 . 2]" 1
1766 2 30 LEU HB2 2 30 LEU MD1 2.690 . 3.580 2.257 2.230 2.277 . 0 0 "[ . 1 . 2]" 1
1767 2 30 LEU HB2 2 30 LEU MD2 2.540 . 3.280 3.182 3.173 3.190 . 0 0 "[ . 1 . 2]" 1
1768 2 30 LEU HB2 2 31 LEU H 2.515 . 3.230 2.844 2.811 2.874 . 0 0 "[ . 1 . 2]" 1
1769 2 30 LEU HB3 2 30 LEU MD1 2.565 . 3.330 2.500 2.465 2.544 . 0 0 "[ . 1 . 2]" 1
1770 2 30 LEU HB3 2 30 LEU MD2 2.515 . 3.230 2.271 2.255 2.292 . 0 0 "[ . 1 . 2]" 1
1771 2 30 LEU HB3 2 31 LEU H 2.890 . 3.980 3.802 3.763 3.821 . 0 0 "[ . 1 . 2]" 1
1772 2 30 LEU MD1 2 31 LEU H 3.335 . 4.870 4.578 4.505 4.618 . 0 0 "[ . 1 . 2]" 1
1773 2 30 LEU MD2 2 31 LEU H 3.420 . 5.040 4.805 4.784 4.830 . 0 0 "[ . 1 . 2]" 1
1774 2 30 LEU MD2 2 33 ALA H 3.500 . 5.200 4.836 4.736 4.934 . 0 0 "[ . 1 . 2]" 1
1775 2 30 LEU MD2 2 34 GLU H 3.585 . 5.370 5.050 4.926 5.153 . 0 0 "[ . 1 . 2]" 1
1776 2 30 LEU HG 2 31 LEU H 3.275 . 4.750 4.447 4.424 4.474 . 0 0 "[ . 1 . 2]" 1
1777 2 31 LEU H 2 31 LEU HB2 2.505 . 3.210 2.250 2.226 2.275 . 0 0 "[ . 1 . 2]" 1
1778 2 31 LEU H 2 31 LEU HB3 2.735 . 3.670 3.530 3.512 3.546 . 0 0 "[ . 1 . 2]" 1
1779 2 31 LEU H 2 31 LEU MD1 2.705 . 3.610 3.619 3.591 3.640 0.030 13 0 "[ . 1 . 2]" 1
1780 2 31 LEU H 2 31 LEU MD2 3.030 . 4.260 3.888 3.838 3.926 . 0 0 "[ . 1 . 2]" 1
1781 2 31 LEU H 2 31 LEU HG 2.665 . 3.530 2.840 2.782 2.893 . 0 0 "[ . 1 . 2]" 1
1782 2 31 LEU H 2 32 THR H 2.685 . 3.570 2.487 2.462 2.527 . 0 0 "[ . 1 . 2]" 1
1783 2 31 LEU H 2 32 THR HA 3.650 . 5.500 5.106 5.083 5.136 . 0 0 "[ . 1 . 2]" 1
1784 2 31 LEU H 2 33 ALA H 2.960 . 4.120 4.150 4.123 4.175 0.055 13 0 "[ . 1 . 2]" 1
1785 2 31 LEU H 2 33 ALA MB 3.650 . 5.500 4.899 4.800 4.943 . 0 0 "[ . 1 . 2]" 1
1786 2 31 LEU HA 2 31 LEU MD2 2.410 . 3.020 2.074 2.046 2.105 . 0 0 "[ . 1 . 2]" 1
1787 2 31 LEU HA 2 31 LEU HG 2.765 . 3.730 2.833 2.811 2.866 . 0 0 "[ . 1 . 2]" 1
1788 2 31 LEU HA 2 34 GLU H 3.240 . 4.680 3.804 3.693 3.886 . 0 0 "[ . 1 . 2]" 1
1789 2 31 LEU HA 2 35 ILE HG13 3.650 . 5.500 4.048 3.945 4.122 . 0 0 "[ . 1 . 2]" 1
1790 2 31 LEU HB2 2 31 LEU MD1 2.535 . 3.270 2.221 2.194 2.242 . 0 0 "[ . 1 . 2]" 1
1791 2 31 LEU HB2 2 31 LEU MD2 2.620 . 3.440 3.182 3.176 3.190 . 0 0 "[ . 1 . 2]" 1
1792 2 31 LEU HB2 2 32 THR H 2.755 . 3.710 2.736 2.695 2.788 . 0 0 "[ . 1 . 2]" 1
1793 2 31 LEU HB2 2 33 ALA H 3.555 . 5.310 5.167 5.136 5.194 . 0 0 "[ . 1 . 2]" 1
1794 2 31 LEU HB2 2 35 ILE MD 3.380 . 4.960 4.538 4.351 4.633 . 0 0 "[ . 1 . 2]" 1
1795 2 31 LEU HB3 2 31 LEU MD1 2.650 . 3.500 2.418 2.380 2.440 . 0 0 "[ . 1 . 2]" 1
1796 2 31 LEU HB3 2 31 LEU MD2 2.620 . 3.440 2.295 2.277 2.310 . 0 0 "[ . 1 . 2]" 1
1797 2 31 LEU HB3 2 32 THR H 2.765 . 3.730 3.429 3.377 3.459 . 0 0 "[ . 1 . 2]" 1
1798 2 31 LEU HB3 2 35 ILE MD 2.855 . 3.910 3.266 3.069 3.347 . 0 0 "[ . 1 . 2]" 1
1799 2 31 LEU MD1 2 32 THR H 3.210 . 4.620 4.540 4.506 4.590 . 0 0 "[ . 1 . 2]" 1
1800 2 31 LEU MD2 2 35 ILE MD 2.710 . 3.620 3.601 3.431 3.650 0.030 11 0 "[ . 1 . 2]" 1
1801 2 31 LEU HG 2 32 THR H 3.415 . 5.030 4.665 4.615 4.712 . 0 0 "[ . 1 . 2]" 1
1802 2 32 THR H 2 32 THR HB 2.675 . 3.550 2.459 2.394 2.504 . 0 0 "[ . 1 . 2]" 1
1803 2 32 THR H 2 32 THR MG 2.965 . 4.130 3.755 3.746 3.761 . 0 0 "[ . 1 . 2]" 1
1804 2 32 THR H 2 33 ALA MB 3.050 . 4.300 4.225 4.123 4.285 . 0 0 "[ . 1 . 2]" 1
1805 2 32 THR HA 2 32 THR MG 2.450 . 3.100 2.453 2.418 2.518 . 0 0 "[ . 1 . 2]" 1
1806 2 32 THR HA 2 35 ILE H 3.160 . 4.520 3.780 3.569 4.058 . 0 0 "[ . 1 . 2]" 1
1807 2 32 THR HA 2 35 ILE HB 2.845 . 3.890 3.011 2.775 3.350 . 0 0 "[ . 1 . 2]" 1
1808 2 32 THR HA 2 35 ILE MD 2.600 . 3.400 2.632 2.438 2.857 . 0 0 "[ . 1 . 2]" 1
1809 2 32 THR HA 2 35 ILE HG13 3.650 . 5.500 3.854 3.633 4.072 . 0 0 "[ . 1 . 2]" 1
1810 2 32 THR HA 2 35 ILE MG 3.285 . 4.770 4.239 4.072 4.490 . 0 0 "[ . 1 . 2]" 1
1811 2 32 THR HA 2 36 GLU HG3 3.640 . 5.480 4.311 4.136 4.588 . 0 0 "[ . 1 . 2]" 1
1812 2 32 THR HB 2 33 ALA H 2.610 . 3.420 2.512 2.437 2.658 . 0 0 "[ . 1 . 2]" 1
1813 2 32 THR HB 2 33 ALA MB 3.260 . 4.720 3.848 3.732 4.032 . 0 0 "[ . 1 . 2]" 1
1814 2 32 THR MG 2 33 ALA H 2.610 . 3.420 3.299 3.250 3.324 . 0 0 "[ . 1 . 2]" 1
1815 2 32 THR MG 2 33 ALA HA 3.045 . 4.290 3.275 3.216 3.308 . 0 0 "[ . 1 . 2]" 1
1816 2 32 THR MG 2 33 ALA MB 2.815 . 3.830 3.919 3.889 3.961 0.131 13 0 "[ . 1 . 2]" 1
1817 2 32 THR MG 2 35 ILE MD 3.125 . 4.450 4.082 3.872 4.298 . 0 0 "[ . 1 . 2]" 1
1818 2 32 THR MG 2 36 GLU H 3.325 . 4.850 4.136 4.008 4.472 . 0 0 "[ . 1 . 2]" 1
1819 2 32 THR MG 2 36 GLU HB3 3.650 . 5.500 5.186 4.991 5.546 0.046 20 0 "[ . 1 . 2]" 1
1820 2 32 THR MG 2 36 GLU HG2 3.130 . 4.460 3.723 3.519 4.165 . 0 0 "[ . 1 . 2]" 1
1821 2 32 THR MG 2 36 GLU HG3 2.670 . 3.540 2.761 2.613 3.095 . 0 0 "[ . 1 . 2]" 1
1822 2 33 ALA H 2 33 ALA MB 2.365 . 2.930 2.202 2.194 2.212 . 0 0 "[ . 1 . 2]" 1
1823 2 33 ALA H 2 34 GLU H 2.550 . 3.300 2.778 2.747 2.807 . 0 0 "[ . 1 . 2]" 1
1824 2 33 ALA HA 2 36 GLU H 3.010 . 4.220 3.383 3.322 3.438 . 0 0 "[ . 1 . 2]" 1
1825 2 33 ALA HA 2 36 GLU HB2 2.745 . 3.690 2.718 2.523 2.855 . 0 0 "[ . 1 . 2]" 1
1826 2 33 ALA HA 2 36 GLU HB3 3.005 . 4.210 4.207 4.077 4.279 0.069 20 0 "[ . 1 . 2]" 1
1827 2 33 ALA HA 2 36 GLU HG3 3.070 . 4.340 2.836 2.558 3.230 . 0 0 "[ . 1 . 2]" 1
1828 2 33 ALA HA 2 37 LYS H 3.210 . 4.620 4.369 4.185 4.624 0.004 20 0 "[ . 1 . 2]" 1
1829 2 33 ALA MB 2 34 GLU H 2.575 . 3.350 2.444 2.415 2.480 . 0 0 "[ . 1 . 2]" 1
1830 2 33 ALA MB 2 36 GLU H 3.335 . 4.870 4.498 4.417 4.555 . 0 0 "[ . 1 . 2]" 1
1831 2 34 GLU H 2 34 GLU HB2 2.550 . 3.300 2.406 2.320 2.493 . 0 0 "[ . 1 . 2]" 1
1832 2 34 GLU H 2 34 GLU HB3 2.565 . 3.330 2.685 2.546 2.763 . 0 0 "[ . 1 . 2]" 1
1833 2 34 GLU H 2 34 GLU HG2 3.235 . 4.670 4.621 4.591 4.652 . 0 0 "[ . 1 . 2]" 1
1834 2 34 GLU H 2 34 GLU HG3 3.180 . 4.560 4.505 4.471 4.533 . 0 0 "[ . 1 . 2]" 1
1835 2 34 GLU H 2 35 ILE H 2.700 . 3.600 2.695 2.647 2.717 . 0 0 "[ . 1 . 2]" 1
1836 2 34 GLU HA 2 37 LYS H 2.925 . 4.050 3.282 3.167 3.391 . 0 0 "[ . 1 . 2]" 1
1837 2 34 GLU HA 2 37 LYS QB 2.625 . 3.450 2.679 2.275 3.100 . 0 0 "[ . 1 . 2]" 1
1838 2 34 GLU HA 2 37 LYS QD 2.865 . 3.930 2.687 1.749 4.021 0.091 4 0 "[ . 1 . 2]" 1
1839 2 34 GLU HA 2 37 LYS QG 3.380 . 4.960 3.689 2.320 4.796 . 0 0 "[ . 1 . 2]" 1
1840 2 34 GLU HA 2 38 ILE MD 3.395 . 4.990 4.950 4.854 5.044 0.054 20 0 "[ . 1 . 2]" 1
1841 2 34 GLU HB2 2 35 ILE H 2.815 . 3.830 3.785 3.708 3.869 0.039 4 0 "[ . 1 . 2]" 1
1842 2 34 GLU HB2 2 35 ILE HA 3.650 . 5.500 5.590 5.563 5.617 0.117 12 0 "[ . 1 . 2]" 1
1843 2 34 GLU HB3 2 38 ILE MD 3.180 . 4.560 4.471 4.359 4.582 0.022 4 0 "[ . 1 . 2]" 1
1844 2 34 GLU HG2 2 35 ILE H 3.280 . 4.760 4.774 4.613 4.851 0.091 11 0 "[ . 1 . 2]" 1
1845 2 34 GLU HG2 2 38 ILE MD 2.835 . 3.870 3.858 3.762 3.935 0.065 3 0 "[ . 1 . 2]" 1
1846 2 34 GLU HG2 2 38 ILE HG12 3.650 . 5.500 5.521 5.417 5.571 0.071 7 0 "[ . 1 . 2]" 1
1847 2 34 GLU HG3 2 38 ILE H 3.380 . 4.960 4.401 4.299 4.509 . 0 0 "[ . 1 . 2]" 1
1848 2 34 GLU HG3 2 38 ILE MD 2.830 . 3.860 2.827 2.659 2.992 . 0 0 "[ . 1 . 2]" 1
1849 2 35 ILE H 2 35 ILE HB 2.490 . 3.180 2.460 2.419 2.488 . 0 0 "[ . 1 . 2]" 1
1850 2 35 ILE H 2 35 ILE MD 2.635 . 3.470 3.537 3.520 3.570 0.100 18 0 "[ . 1 . 2]" 1
1851 2 35 ILE H 2 35 ILE HG12 2.915 . 4.030 3.538 3.455 3.589 . 0 0 "[ . 1 . 2]" 1
1852 2 35 ILE H 2 35 ILE HG13 2.900 . 4.000 2.223 2.140 2.282 . 0 0 "[ . 1 . 2]" 1
1853 2 35 ILE H 2 35 ILE MG 2.785 . 3.770 3.763 3.746 3.774 0.004 4 0 "[ . 1 . 2]" 1
1854 2 35 ILE H 2 36 GLU HG3 3.650 . 5.500 4.435 4.180 4.747 . 0 0 "[ . 1 . 2]" 1
1855 2 35 ILE HA 2 35 ILE MD 2.870 . 3.940 3.793 3.778 3.804 . 0 0 "[ . 1 . 2]" 1
1856 2 35 ILE HA 2 35 ILE HG12 2.695 . 3.590 2.473 2.449 2.491 . 0 0 "[ . 1 . 2]" 1
1857 2 35 ILE HA 2 35 ILE MG 2.575 . 3.350 2.482 2.461 2.504 . 0 0 "[ . 1 . 2]" 1
1858 2 35 ILE HA 2 36 GLU HA 3.410 . 5.020 4.851 4.825 4.870 . 0 0 "[ . 1 . 2]" 1
1859 2 35 ILE HA 2 38 ILE H 3.140 . 4.480 3.463 3.368 3.609 . 0 0 "[ . 1 . 2]" 1
1860 2 35 ILE HA 2 38 ILE HB 3.045 . 4.290 3.349 3.193 3.505 . 0 0 "[ . 1 . 2]" 1
1861 2 35 ILE HA 2 38 ILE MD 2.915 . 4.030 3.007 2.804 3.291 . 0 0 "[ . 1 . 2]" 1
1862 2 35 ILE HA 2 38 ILE HG12 3.345 . 4.890 4.741 4.564 4.886 . 0 0 "[ . 1 . 2]" 1
1863 2 35 ILE HA 2 38 ILE HG13 3.520 . 5.240 3.076 2.911 3.202 . 0 0 "[ . 1 . 2]" 1
1864 2 35 ILE HA 2 38 ILE MG 3.290 . 4.780 4.656 4.534 4.782 0.002 14 0 "[ . 1 . 2]" 1
1865 2 35 ILE HA 2 39 GLN H 3.405 . 5.010 4.029 3.856 4.279 . 0 0 "[ . 1 . 2]" 1
1866 2 35 ILE HA 2 39 GLN QG 3.565 . 5.330 3.796 3.598 3.993 . 0 0 "[ . 1 . 2]" 1
1867 2 35 ILE HB 2 35 ILE MD 2.420 . 3.040 2.392 2.378 2.409 . 0 0 "[ . 1 . 2]" 1
1868 2 35 ILE HB 2 36 GLU H 2.610 . 3.420 2.655 2.606 2.719 . 0 0 "[ . 1 . 2]" 1
1869 2 35 ILE HB 2 36 GLU HA 3.495 . 5.190 4.426 4.350 4.486 . 0 0 "[ . 1 . 2]" 1
1870 2 35 ILE HB 2 37 LYS H 3.485 . 5.170 5.011 4.869 5.183 0.013 7 0 "[ . 1 . 2]" 1
1871 2 35 ILE MD 2 39 GLN QE 3.570 . 5.340 4.634 3.964 5.371 0.031 18 0 "[ . 1 . 2]" 1
1872 2 35 ILE MG 2 36 GLU H 2.765 . 3.730 3.322 3.234 3.374 . 0 0 "[ . 1 . 2]" 1
1873 2 35 ILE MG 2 36 GLU HA 2.875 . 3.950 3.398 3.349 3.447 . 0 0 "[ . 1 . 2]" 1
1874 2 35 ILE MG 2 36 GLU HG2 3.165 . 4.530 4.333 4.120 4.518 . 0 0 "[ . 1 . 2]" 1
1875 2 35 ILE MG 2 36 GLU HG3 3.255 . 4.710 4.199 4.012 4.308 . 0 0 "[ . 1 . 2]" 1
1876 2 35 ILE MG 2 39 GLN H 3.110 . 4.420 3.853 3.628 3.983 . 0 0 "[ . 1 . 2]" 1
1877 2 35 ILE MG 2 39 GLN HB2 2.865 . 3.930 3.591 3.369 3.773 . 0 0 "[ . 1 . 2]" 1
1878 2 35 ILE MG 2 39 GLN HB3 3.120 . 4.440 4.450 4.253 4.541 0.101 11 0 "[ . 1 . 2]" 1
1879 2 35 ILE MG 2 39 GLN HE21 2.900 . 4.000 2.919 2.068 3.486 . 0 0 "[ . 1 . 2]" 1
1880 2 35 ILE MG 2 39 GLN HE22 2.900 . 4.000 3.427 2.618 4.055 0.055 6 0 "[ . 1 . 2]" 1
1881 2 35 ILE MG 2 39 GLN QG 2.770 . 3.740 2.390 1.902 2.767 . 0 0 "[ . 1 . 2]" 1
1882 2 36 GLU H 2 36 GLU HB2 2.475 . 3.150 2.471 2.378 2.567 . 0 0 "[ . 1 . 2]" 1
1883 2 36 GLU H 2 36 GLU HB3 2.770 . 3.740 3.584 3.561 3.597 . 0 0 "[ . 1 . 2]" 1
1884 2 36 GLU H 2 36 GLU HG2 2.805 . 3.810 3.365 3.238 3.588 . 0 0 "[ . 1 . 2]" 1
1885 2 36 GLU H 2 36 GLU HG3 2.715 . 3.630 2.276 2.080 2.492 . 0 0 "[ . 1 . 2]" 1
1886 2 36 GLU H 2 37 LYS H 2.470 . 3.140 2.674 2.563 2.777 . 0 0 "[ . 1 . 2]" 1
1887 2 36 GLU H 2 39 GLN H 3.300 . 4.800 4.758 4.573 4.862 0.062 11 0 "[ . 1 . 2]" 1
1888 2 36 GLU HA 2 36 GLU HG2 2.680 . 3.560 2.486 2.380 2.577 . 0 0 "[ . 1 . 2]" 1
1889 2 36 GLU HA 2 36 GLU HG3 2.845 . 3.890 3.124 3.021 3.190 . 0 0 "[ . 1 . 2]" 1
1890 2 36 GLU HA 2 39 GLN H 2.945 . 4.090 3.594 3.395 3.717 . 0 0 "[ . 1 . 2]" 1
1891 2 36 GLU HA 2 40 LYS H 2.985 . 4.170 3.938 3.642 4.216 0.046 15 0 "[ . 1 . 2]" 1
1892 2 36 GLU HB2 2 37 LYS H 2.815 . 3.830 2.611 2.550 2.651 . 0 0 "[ . 1 . 2]" 1
1893 2 37 LYS H 2 37 LYS QB 2.305 . 2.810 2.321 2.134 2.578 . 0 0 "[ . 1 . 2]" 1
1894 2 37 LYS H 2 37 LYS QD 3.210 . 4.620 3.892 2.086 4.677 0.057 10 0 "[ . 1 . 2]" 1
1895 2 37 LYS H 2 37 LYS QG 3.060 . 4.320 3.165 2.013 3.973 . 0 0 "[ . 1 . 2]" 1
1896 2 37 LYS H 2 38 ILE MD 3.585 . 5.370 5.331 5.230 5.394 0.024 12 0 "[ . 1 . 2]" 1
1897 2 37 LYS H 2 39 GLN H 3.060 . 4.320 4.079 3.990 4.171 . 0 0 "[ . 1 . 2]" 1
1898 2 37 LYS H 2 40 LYS QG 3.125 . 4.450 4.292 4.057 4.533 0.083 17 0 "[ . 1 . 2]" 1
1899 2 37 LYS HA 2 37 LYS QD 3.030 . 4.260 3.958 2.923 4.235 . 0 0 "[ . 1 . 2]" 1
1900 2 37 LYS HA 2 37 LYS QG 2.805 . 3.810 2.487 2.313 2.630 . 0 0 "[ . 1 . 2]" 1
1901 2 37 LYS HA 2 40 LYS H 3.160 . 4.520 3.725 3.488 3.900 . 0 0 "[ . 1 . 2]" 1
1902 2 37 LYS HA 2 40 LYS QB 2.865 . 3.930 3.666 2.710 4.093 0.163 11 0 "[ . 1 . 2]" 1
1903 2 37 LYS HA 2 40 LYS QE 3.240 . 4.680 3.252 1.785 4.696 0.016 10 0 "[ . 1 . 2]" 1
1904 2 37 LYS HA 2 40 LYS QG 2.605 . 3.410 2.548 1.954 3.432 0.022 8 0 "[ . 1 . 2]" 1
1905 2 37 LYS QB 2 37 LYS QE 2.935 . 4.070 3.041 1.881 3.784 . 0 0 "[ . 1 . 2]" 1
1906 2 37 LYS QB 2 38 ILE H 2.445 . 3.090 2.448 2.349 2.547 . 0 0 "[ . 1 . 2]" 1
1907 2 37 LYS QB 2 38 ILE HG12 2.800 . 3.800 3.725 3.506 3.869 0.069 14 0 "[ . 1 . 2]" 1
1908 2 37 LYS QE 2 37 LYS QG 2.955 . 4.110 2.341 2.121 2.769 . 0 0 "[ . 1 . 2]" 1
1909 2 37 LYS QG 2 38 ILE H 3.230 . 4.660 3.767 3.037 4.403 . 0 0 "[ . 1 . 2]" 1
1910 2 38 ILE H 2 38 ILE HB 2.585 . 3.370 2.704 2.668 2.759 . 0 0 "[ . 1 . 2]" 1
1911 2 38 ILE H 2 38 ILE MD 2.815 . 3.830 3.547 3.485 3.584 . 0 0 "[ . 1 . 2]" 1
1912 2 38 ILE H 2 38 ILE HG12 2.600 . 3.400 2.944 2.829 3.009 . 0 0 "[ . 1 . 2]" 1
1913 2 38 ILE H 2 38 ILE HG13 2.685 . 3.570 1.868 1.766 1.922 0.034 20 0 "[ . 1 . 2]" 1
1914 2 38 ILE H 2 38 ILE MG 2.785 . 3.770 3.756 3.730 3.768 . 0 0 "[ . 1 . 2]" 1
1915 2 38 ILE H 2 39 GLN H 2.560 . 3.320 2.603 2.534 2.658 . 0 0 "[ . 1 . 2]" 1
1916 2 38 ILE H 2 39 GLN QG 3.170 . 4.540 4.377 4.229 4.546 0.006 10 0 "[ . 1 . 2]" 1
1917 2 38 ILE HA 2 38 ILE MD 2.900 . 4.000 3.832 3.800 3.869 . 0 0 "[ . 1 . 2]" 1
1918 2 38 ILE HA 2 38 ILE HG12 2.765 . 3.730 2.612 2.566 2.684 . 0 0 "[ . 1 . 2]" 1
1919 2 38 ILE HA 2 38 ILE HG13 2.700 . 3.600 3.264 3.224 3.307 . 0 0 "[ . 1 . 2]" 1
1920 2 38 ILE HA 2 38 ILE MG 2.500 . 3.200 2.283 2.240 2.305 . 0 0 "[ . 1 . 2]" 1
1921 2 38 ILE HB 2 38 ILE MD 2.710 . 3.620 2.465 2.449 2.498 . 0 0 "[ . 1 . 2]" 1
1922 2 38 ILE HB 2 39 GLN H 2.520 . 3.240 2.592 2.488 2.765 . 0 0 "[ . 1 . 2]" 1
1923 2 38 ILE HG12 2 38 ILE MG 2.485 . 3.170 2.437 2.420 2.473 . 0 0 "[ . 1 . 2]" 1
1924 2 38 ILE HG12 2 39 GLN H 3.245 . 4.690 4.750 4.722 4.773 0.083 16 0 "[ . 1 . 2]" 1
1925 2 38 ILE HG13 2 38 ILE MG 2.550 . 3.300 3.200 3.191 3.207 . 0 0 "[ . 1 . 2]" 1
1926 2 38 ILE HG13 2 39 GLN H 3.465 . 5.130 3.855 3.798 3.915 . 0 0 "[ . 1 . 2]" 1
1927 2 38 ILE HG13 2 39 GLN QG 3.570 . 5.340 4.943 4.768 5.161 . 0 0 "[ . 1 . 2]" 1
1928 2 38 ILE MG 2 39 GLN H 2.940 . 4.080 3.701 3.600 3.875 . 0 0 "[ . 1 . 2]" 1
1929 2 38 ILE MG 2 39 GLN QG 3.450 . 5.100 4.026 3.668 4.439 . 0 0 "[ . 1 . 2]" 1
1930 2 38 ILE MG 2 40 LYS H 3.650 . 5.500 5.112 4.893 5.305 . 0 0 "[ . 1 . 2]" 1
1931 2 39 GLN H 2 39 GLN HB2 2.575 . 3.350 2.399 2.324 2.466 . 0 0 "[ . 1 . 2]" 1
1932 2 39 GLN H 2 39 GLN HB3 2.820 . 3.840 3.593 3.577 3.606 . 0 0 "[ . 1 . 2]" 1
1933 2 39 GLN H 2 39 GLN HG2 2.750 . 3.700 3.114 2.308 3.705 0.005 12 0 "[ . 1 . 2]" 1
1934 2 39 GLN H 2 39 GLN QG 2.490 . 3.180 2.424 2.283 2.624 . 0 0 "[ . 1 . 2]" 1
1935 2 39 GLN H 2 39 GLN HG3 2.750 . 3.700 2.983 2.434 3.705 0.005 1 0 "[ . 1 . 2]" 1
1936 2 39 GLN H 2 40 LYS H 2.565 . 3.330 2.634 2.545 2.755 . 0 0 "[ . 1 . 2]" 1
1937 2 39 GLN HA 2 39 GLN HG2 2.755 . 3.710 2.611 2.324 2.957 . 0 0 "[ . 1 . 2]" 1
1938 2 39 GLN HA 2 39 GLN QG 2.505 . 3.210 2.517 2.253 2.851 . 0 0 "[ . 1 . 2]" 1
1939 2 39 GLN HA 2 39 GLN HG3 2.755 . 3.710 3.305 2.954 3.746 0.036 4 0 "[ . 1 . 2]" 1
1940 2 39 GLN HB2 2 40 LYS H 2.745 . 3.690 2.904 2.657 3.164 . 0 0 "[ . 1 . 2]" 1
1941 2 39 GLN HB3 2 39 GLN HE21 3.220 . 4.640 4.031 2.595 4.421 . 0 0 "[ . 1 . 2]" 1
1942 2 39 GLN HB3 2 39 GLN QE 2.885 . 3.970 3.730 2.550 4.025 0.055 1 0 "[ . 1 . 2]" 1
1943 2 39 GLN HB3 2 39 GLN HE22 3.220 . 4.640 4.426 3.736 4.633 . 0 0 "[ . 1 . 2]" 1
1944 2 39 GLN QE 2 39 GLN QG 2.430 . 3.060 2.162 2.121 2.673 . 0 0 "[ . 1 . 2]" 1
1945 2 39 GLN QG 2 40 LYS H 3.280 . 4.760 4.257 4.129 4.415 . 0 0 "[ . 1 . 2]" 1
1946 2 39 GLN HG2 2 40 LYS H 3.650 . 5.500 4.870 4.403 5.195 . 0 0 "[ . 1 . 2]" 1
1947 2 39 GLN HG3 2 40 LYS H 3.650 . 5.500 4.785 4.533 5.084 . 0 0 "[ . 1 . 2]" 1
1948 2 40 LYS H 2 40 LYS QB 2.350 . 2.900 2.512 2.245 2.639 . 0 0 "[ . 1 . 2]" 1
1949 2 40 LYS H 2 40 LYS QG 2.725 . 3.650 2.274 2.090 2.681 . 0 0 "[ . 1 . 2]" 1
1950 2 40 LYS H 2 41 GLY H 2.475 . 3.150 2.506 2.378 2.672 . 0 0 "[ . 1 . 2]" 1
1951 2 40 LYS HA 2 40 LYS QB 2.395 . 2.990 2.252 2.171 2.461 . 0 0 "[ . 1 . 2]" 1
1952 2 40 LYS HA 2 40 LYS HG2 2.925 . 4.050 3.405 2.338 3.869 . 0 0 "[ . 1 . 2]" 1
1953 2 40 LYS HA 2 40 LYS QG 2.640 . 3.480 3.052 2.253 3.361 . 0 0 "[ . 1 . 2]" 1
1954 2 40 LYS HA 2 40 LYS HG3 2.925 . 4.050 3.508 2.933 3.747 . 0 0 "[ . 1 . 2]" 1
1955 2 40 LYS QB 2 40 LYS QE 2.990 . 4.180 2.781 1.844 3.668 . 0 0 "[ . 1 . 2]" 1
1956 2 40 LYS QB 2 41 GLY H 2.785 . 3.770 3.275 2.640 3.797 0.027 14 0 "[ . 1 . 2]" 1
1957 2 40 LYS QB 2 41 GLY QA 3.130 . 4.460 4.061 3.371 4.498 0.038 7 0 "[ . 1 . 2]" 1
1958 2 40 LYS QD 2 41 GLY QA 3.465 . 5.130 5.144 4.824 5.359 0.229 10 0 "[ . 1 . 2]" 1
1959 2 40 LYS QE 2 40 LYS QG 2.680 . 3.560 2.438 2.120 2.827 . 0 0 "[ . 1 . 2]" 1
1960 2 40 LYS QG 2 41 GLY QA 3.365 . 4.930 4.002 3.226 5.135 0.205 19 0 "[ . 1 . 2]" 1
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