NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
632718 |
6ewt   |
34194 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_6ewt
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 1807
_Distance_constraint_stats_list.Viol_count 4519
_Distance_constraint_stats_list.Viol_total 4751.125
_Distance_constraint_stats_list.Viol_max 0.198
_Distance_constraint_stats_list.Viol_rms 0.0194
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0066
_Distance_constraint_stats_list.Viol_average_violations_only 0.0526
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 LYS 3.479 0.094 14 0 "[ . 1 . 2]"
1 3 ASN 8.158 0.096 19 0 "[ . 1 . 2]"
1 4 ALA 5.632 0.097 4 0 "[ . 1 . 2]"
1 5 ALA 6.608 0.115 15 0 "[ . 1 . 2]"
1 6 LYS 8.050 0.115 15 0 "[ . 1 . 2]"
1 7 ILE 17.562 0.139 3 0 "[ . 1 . 2]"
1 8 VAL 7.607 0.090 15 0 "[ . 1 . 2]"
1 9 ASN 9.847 0.095 4 0 "[ . 1 . 2]"
1 10 GLU 5.416 0.093 10 0 "[ . 1 . 2]"
1 11 ALA 9.305 0.107 15 0 "[ . 1 . 2]"
1 12 LEU 9.897 0.102 6 0 "[ . 1 . 2]"
1 13 ASN 2.918 0.084 10 0 "[ . 1 . 2]"
1 14 GLN 7.019 0.102 4 0 "[ . 1 . 2]"
1 15 GLY 4.681 0.089 16 0 "[ . 1 . 2]"
1 16 ILE 20.016 0.117 8 0 "[ . 1 . 2]"
1 17 THR 11.112 0.117 8 0 "[ . 1 . 2]"
1 18 LEU 17.172 0.139 3 0 "[ . 1 . 2]"
1 19 PHE 7.490 0.097 11 0 "[ . 1 . 2]"
1 20 VAL 13.072 0.198 2 0 "[ . 1 . 2]"
1 21 SER 3.616 0.090 3 0 "[ . 1 . 2]"
1 22 ASP 3.858 0.082 5 0 "[ . 1 . 2]"
1 23 ASN 7.951 0.145 2 0 "[ . 1 . 2]"
1 24 LYS 6.418 0.086 18 0 "[ . 1 . 2]"
1 25 LEU 10.178 0.120 7 0 "[ . 1 . 2]"
1 26 LYS 4.867 0.097 20 0 "[ . 1 . 2]"
1 27 TYR 13.274 0.129 2 0 "[ . 1 . 2]"
1 28 LYS 7.383 0.102 4 0 "[ . 1 . 2]"
1 29 THR 4.795 0.103 12 0 "[ . 1 . 2]"
1 30 ASN 0.076 0.076 18 0 "[ . 1 . 2]"
1 31 ARG 5.060 0.139 2 0 "[ . 1 . 2]"
1 32 ASP 1.935 0.139 2 0 "[ . 1 . 2]"
1 33 SER 4.674 0.088 18 0 "[ . 1 . 2]"
1 34 ILE 7.989 0.088 18 0 "[ . 1 . 2]"
1 35 PRO 8.735 0.088 4 0 "[ . 1 . 2]"
1 36 SER 1.737 0.084 18 0 "[ . 1 . 2]"
1 37 GLU 4.653 0.097 18 0 "[ . 1 . 2]"
1 38 LEU 16.947 0.129 2 0 "[ . 1 . 2]"
1 39 LEU 4.362 0.083 3 0 "[ . 1 . 2]"
1 40 GLU 3.520 0.083 3 0 "[ . 1 . 2]"
1 41 GLU 6.602 0.109 19 0 "[ . 1 . 2]"
1 42 TRP 15.966 0.092 14 0 "[ . 1 . 2]"
1 43 LYS 5.851 0.104 13 0 "[ . 1 . 2]"
1 44 GLN 6.509 0.120 7 0 "[ . 1 . 2]"
1 45 HIS 7.363 0.101 2 0 "[ . 1 . 2]"
1 46 LYS 10.336 0.104 13 0 "[ . 1 . 2]"
1 47 GLN 8.240 0.108 2 0 "[ . 1 . 2]"
1 48 GLU 2.338 0.080 17 0 "[ . 1 . 2]"
1 49 LEU 7.885 0.092 14 0 "[ . 1 . 2]"
1 50 ILE 13.372 0.198 2 0 "[ . 1 . 2]"
1 51 ASP 4.878 0.074 4 0 "[ . 1 . 2]"
1 52 PHE 11.456 0.104 2 0 "[ . 1 . 2]"
1 53 LEU 13.617 0.111 15 0 "[ . 1 . 2]"
1 54 THR 14.656 0.106 11 0 "[ . 1 . 2]"
1 55 GLN 12.155 0.104 2 0 "[ . 1 . 2]"
1 56 LEU 7.137 0.100 5 0 "[ . 1 . 2]"
1 57 GLU 2.147 0.085 5 0 "[ . 1 . 2]"
1 58 SER 2.338 0.090 14 0 "[ . 1 . 2]"
1 59 GLU 2.640 0.148 2 0 "[ . 1 . 2]"
1 60 GLU 1.559 0.148 2 0 "[ . 1 . 2]"
1 61 GLU 1.416 0.198 2 0 "[ . 1 . 2]"
1 62 SER 1.047 0.198 2 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 1 MET HA 1 1 MET QG . . 3.670 2.834 2.309 3.396 . 0 0 "[ . 1 . 2]" 1
2 1 2 LYS HA 1 2 LYS HE2 . . 5.500 5.034 4.359 5.569 0.069 19 0 "[ . 1 . 2]" 1
3 1 2 LYS HA 1 2 LYS HE3 . . 5.500 4.990 4.279 5.450 . 0 0 "[ . 1 . 2]" 1
4 1 2 LYS HA 1 2 LYS HG2 . . 4.230 3.500 2.397 3.826 . 0 0 "[ . 1 . 2]" 1
5 1 2 LYS HA 1 2 LYS QG . . 3.650 2.806 2.206 3.420 . 0 0 "[ . 1 . 2]" 1
6 1 2 LYS HA 1 2 LYS HG3 . . 4.230 3.084 2.237 3.978 . 0 0 "[ . 1 . 2]" 1
7 1 2 LYS HA 1 3 ASN H . . 3.330 2.422 2.026 2.749 . 0 0 "[ . 1 . 2]" 1
8 1 2 LYS HA 1 3 ASN HD22 . . 5.500 5.323 4.566 5.577 0.077 18 0 "[ . 1 . 2]" 1
9 1 2 LYS HA 1 6 LYS H . . 5.500 5.439 5.078 5.562 0.062 15 0 "[ . 1 . 2]" 1
10 1 2 LYS HA 1 6 LYS HB2 . . 3.700 3.617 3.338 3.759 0.059 8 0 "[ . 1 . 2]" 1
11 1 2 LYS QB 1 2 LYS HD2 . . 3.540 3.066 2.325 3.508 . 0 0 "[ . 1 . 2]" 1
12 1 2 LYS QB 1 2 LYS QD . . 3.090 2.425 2.157 2.698 . 0 0 "[ . 1 . 2]" 1
13 1 2 LYS QB 1 2 LYS HD3 . . 3.540 2.813 2.187 3.375 . 0 0 "[ . 1 . 2]" 1
14 1 2 LYS QB 1 2 LYS HE2 . . 4.470 2.492 1.979 3.212 . 0 0 "[ . 1 . 2]" 1
15 1 2 LYS QB 1 2 LYS QE . . 3.840 2.110 1.943 2.317 . 0 0 "[ . 1 . 2]" 1
16 1 2 LYS QB 1 2 LYS HE3 . . 4.470 2.646 2.010 3.356 . 0 0 "[ . 1 . 2]" 1
17 1 2 LYS QB 1 3 ASN H . . 4.090 2.372 1.958 3.367 . 0 0 "[ . 1 . 2]" 1
18 1 2 LYS QB 1 3 ASN HD22 . . 5.500 5.391 4.944 5.584 0.084 3 0 "[ . 1 . 2]" 1
19 1 2 LYS QB 1 6 LYS QG . . 3.420 2.844 2.178 3.504 0.084 19 0 "[ . 1 . 2]" 1
20 1 2 LYS QB 1 7 ILE H . . 4.080 3.959 3.668 4.149 0.069 14 0 "[ . 1 . 2]" 1
21 1 2 LYS QB 1 7 ILE MD . . 3.810 3.482 2.871 3.904 0.094 14 0 "[ . 1 . 2]" 1
22 1 2 LYS QE 1 2 LYS QG . . 3.310 2.330 2.149 2.613 . 0 0 "[ . 1 . 2]" 1
23 1 2 LYS HE2 1 7 ILE MD . . 5.500 4.541 3.514 5.531 0.031 4 0 "[ . 1 . 2]" 1
24 1 2 LYS HE2 1 7 ILE HG12 . . 5.500 4.170 2.549 5.555 0.055 4 0 "[ . 1 . 2]" 1
25 1 2 LYS HE3 1 7 ILE MD . . 5.500 4.977 4.164 5.591 0.091 17 0 "[ . 1 . 2]" 1
26 1 2 LYS HE3 1 7 ILE HG12 . . 5.500 4.621 3.493 5.551 0.051 7 0 "[ . 1 . 2]" 1
27 1 2 LYS QG 1 7 ILE H . . 5.340 4.914 4.449 5.406 0.066 16 0 "[ . 1 . 2]" 1
28 1 3 ASN H 1 3 ASN HB2 . . 3.900 3.804 3.500 3.957 0.057 6 0 "[ . 1 . 2]" 1
29 1 3 ASN H 1 3 ASN HB3 . . 3.900 3.062 2.432 3.398 . 0 0 "[ . 1 . 2]" 1
30 1 3 ASN H 1 6 LYS H . . 4.530 3.365 3.067 4.034 . 0 0 "[ . 1 . 2]" 1
31 1 3 ASN H 1 6 LYS HB2 . . 4.110 2.023 1.794 2.699 . 0 0 "[ . 1 . 2]" 1
32 1 3 ASN H 1 6 LYS HB3 . . 4.010 2.813 2.273 3.426 . 0 0 "[ . 1 . 2]" 1
33 1 3 ASN H 1 7 ILE H . . 5.160 4.172 3.796 5.178 0.018 9 0 "[ . 1 . 2]" 1
34 1 3 ASN HA 1 3 ASN HD21 . . 4.560 4.278 3.972 4.499 . 0 0 "[ . 1 . 2]" 1
35 1 3 ASN HA 1 3 ASN HD22 . . 5.320 5.101 5.002 5.176 . 0 0 "[ . 1 . 2]" 1
36 1 3 ASN HA 1 4 ALA H . . 2.920 2.456 2.345 2.549 . 0 0 "[ . 1 . 2]" 1
37 1 3 ASN HA 1 4 ALA HA . . 4.630 4.305 4.149 4.375 . 0 0 "[ . 1 . 2]" 1
38 1 3 ASN HA 1 4 ALA MB . . 4.340 4.240 4.119 4.327 . 0 0 "[ . 1 . 2]" 1
39 1 3 ASN HA 1 5 ALA H . . 4.800 4.823 4.742 4.864 0.064 10 0 "[ . 1 . 2]" 1
40 1 3 ASN HA 1 6 LYS H . . 4.680 4.712 4.550 4.756 0.076 15 0 "[ . 1 . 2]" 1
41 1 3 ASN HA 1 6 LYS HB2 . . 4.580 4.450 4.031 4.639 0.059 16 0 "[ . 1 . 2]" 1
42 1 3 ASN HA 1 6 LYS HB3 . . 5.500 5.262 4.818 5.558 0.058 5 0 "[ . 1 . 2]" 1
43 1 3 ASN HA 1 7 ILE H . . 5.500 5.495 5.293 5.578 0.078 12 0 "[ . 1 . 2]" 1
44 1 3 ASN HA 1 7 ILE MD . . 4.700 3.816 3.527 4.006 . 0 0 "[ . 1 . 2]" 1
45 1 3 ASN QB 1 4 ALA H . . 3.180 2.428 2.292 2.542 . 0 0 "[ . 1 . 2]" 1
46 1 3 ASN QB 1 4 ALA MB . . 4.560 3.762 3.616 3.946 . 0 0 "[ . 1 . 2]" 1
47 1 3 ASN QB 1 5 ALA H . . 4.090 3.562 3.280 3.853 . 0 0 "[ . 1 . 2]" 1
48 1 3 ASN QB 1 5 ALA MB . . 5.340 4.237 3.979 4.455 . 0 0 "[ . 1 . 2]" 1
49 1 3 ASN QB 1 6 LYS H . . 4.050 3.986 3.745 4.124 0.074 6 0 "[ . 1 . 2]" 1
50 1 3 ASN QB 1 7 ILE MD . . 5.340 4.710 4.498 4.931 . 0 0 "[ . 1 . 2]" 1
51 1 3 ASN HB2 1 4 ALA H . . 3.850 2.456 2.312 2.575 . 0 0 "[ . 1 . 2]" 1
52 1 3 ASN HB2 1 6 LYS H . . 4.700 4.348 3.916 4.642 . 0 0 "[ . 1 . 2]" 1
53 1 3 ASN HB3 1 4 ALA H . . 3.850 3.820 3.719 3.914 0.064 7 0 "[ . 1 . 2]" 1
54 1 3 ASN HB3 1 6 LYS H . . 4.700 4.682 4.345 4.787 0.087 17 0 "[ . 1 . 2]" 1
55 1 3 ASN HD21 1 4 ALA H . . 5.130 4.443 3.460 5.162 0.032 15 0 "[ . 1 . 2]" 1
56 1 3 ASN HD21 1 5 ALA MB . . 4.460 3.263 2.176 4.237 . 0 0 "[ . 1 . 2]" 1
57 1 3 ASN HD21 1 6 LYS H . . 4.950 3.111 2.617 3.592 . 0 0 "[ . 1 . 2]" 1
58 1 3 ASN HD21 1 7 ILE MD . . 5.500 5.452 4.908 5.581 0.081 7 0 "[ . 1 . 2]" 1
59 1 3 ASN HD22 1 4 ALA MB . . 5.500 5.303 4.831 5.573 0.073 19 0 "[ . 1 . 2]" 1
60 1 3 ASN HD22 1 5 ALA H . . 4.800 3.523 2.840 3.941 . 0 0 "[ . 1 . 2]" 1
61 1 3 ASN HD22 1 5 ALA MB . . 4.030 2.342 1.868 2.725 . 0 0 "[ . 1 . 2]" 1
62 1 3 ASN HD22 1 6 LYS H . . 4.790 2.416 2.116 2.673 . 0 0 "[ . 1 . 2]" 1
63 1 3 ASN HD22 1 6 LYS HB2 . . 5.410 2.776 2.489 3.357 . 0 0 "[ . 1 . 2]" 1
64 1 3 ASN HD22 1 6 LYS QG . . 4.610 3.384 2.645 4.699 0.089 18 0 "[ . 1 . 2]" 1
65 1 3 ASN HD22 1 7 ILE MD . . 5.500 5.584 5.549 5.596 0.096 19 0 "[ . 1 . 2]" 1
66 1 4 ALA H 1 4 ALA MB . . 2.890 2.231 2.182 2.283 . 0 0 "[ . 1 . 2]" 1
67 1 4 ALA H 1 5 ALA H . . 3.350 3.116 2.911 3.238 . 0 0 "[ . 1 . 2]" 1
68 1 4 ALA H 1 5 ALA MB . . 4.930 4.765 4.532 4.885 . 0 0 "[ . 1 . 2]" 1
69 1 4 ALA H 1 6 LYS H . . 4.490 4.295 4.044 4.428 . 0 0 "[ . 1 . 2]" 1
70 1 4 ALA H 1 7 ILE MD . . 4.410 3.711 3.458 3.859 . 0 0 "[ . 1 . 2]" 1
71 1 4 ALA H 1 48 GLU HG3 . . 4.630 3.483 2.666 4.661 0.031 16 0 "[ . 1 . 2]" 1
72 1 4 ALA HA 1 5 ALA MB . . 5.120 5.096 5.046 5.131 0.011 13 0 "[ . 1 . 2]" 1
73 1 4 ALA HA 1 6 LYS H . . 4.400 4.288 4.120 4.460 0.060 17 0 "[ . 1 . 2]" 1
74 1 4 ALA HA 1 7 ILE H . . 3.880 3.809 3.687 3.933 0.053 3 0 "[ . 1 . 2]" 1
75 1 4 ALA HA 1 7 ILE HB . . 4.280 3.920 3.270 4.278 . 0 0 "[ . 1 . 2]" 1
76 1 4 ALA HA 1 7 ILE MD . . 3.290 2.067 1.926 2.164 . 0 0 "[ . 1 . 2]" 1
77 1 4 ALA HA 1 7 ILE HG12 . . 4.890 4.935 4.833 4.965 0.075 19 0 "[ . 1 . 2]" 1
78 1 4 ALA HA 1 7 ILE HG13 . . 4.670 4.610 4.240 4.725 0.055 16 0 "[ . 1 . 2]" 1
79 1 4 ALA HA 1 49 LEU MD1 . . 4.280 3.756 3.470 3.989 . 0 0 "[ . 1 . 2]" 1
80 1 4 ALA HA 1 49 LEU QD . . 3.290 2.399 1.955 2.676 . 0 0 "[ . 1 . 2]" 1
81 1 4 ALA HA 1 49 LEU MD2 . . 4.280 2.429 1.959 2.731 . 0 0 "[ . 1 . 2]" 1
82 1 4 ALA HA 1 52 PHE HB2 . . 5.500 5.364 5.127 5.487 . 0 0 "[ . 1 . 2]" 1
83 1 4 ALA MB 1 5 ALA H . . 3.070 2.433 2.311 2.526 . 0 0 "[ . 1 . 2]" 1
84 1 4 ALA MB 1 5 ALA MB . . 4.100 3.735 3.616 3.822 . 0 0 "[ . 1 . 2]" 1
85 1 4 ALA MB 1 6 LYS H . . 4.500 4.402 4.295 4.574 0.074 17 0 "[ . 1 . 2]" 1
86 1 4 ALA MB 1 45 HIS HB3 . . 4.690 4.140 3.764 4.490 . 0 0 "[ . 1 . 2]" 1
87 1 4 ALA MB 1 48 GLU QB . . 4.300 2.611 2.234 2.895 . 0 0 "[ . 1 . 2]" 1
88 1 4 ALA MB 1 48 GLU HG2 . . 4.650 3.773 2.622 4.730 0.080 17 0 "[ . 1 . 2]" 1
89 1 4 ALA MB 1 48 GLU HG3 . . 4.810 3.151 2.140 4.589 . 0 0 "[ . 1 . 2]" 1
90 1 4 ALA MB 1 49 LEU H . . 3.760 3.330 3.214 3.542 . 0 0 "[ . 1 . 2]" 1
91 1 4 ALA MB 1 49 LEU HA . . 3.230 1.986 1.897 2.027 . 0 0 "[ . 1 . 2]" 1
92 1 4 ALA MB 1 49 LEU HB3 . . 4.700 4.112 4.000 4.228 . 0 0 "[ . 1 . 2]" 1
93 1 4 ALA MB 1 49 LEU QD . . 2.840 2.290 2.166 2.427 . 0 0 "[ . 1 . 2]" 1
94 1 4 ALA MB 1 50 ILE H . . 4.580 4.666 4.591 4.677 0.097 4 0 "[ . 1 . 2]" 1
95 1 4 ALA MB 1 51 ASP H . . 5.180 5.024 4.783 5.219 0.039 4 0 "[ . 1 . 2]" 1
96 1 4 ALA MB 1 52 PHE H . . 3.820 3.506 3.289 3.643 . 0 0 "[ . 1 . 2]" 1
97 1 4 ALA MB 1 52 PHE HA . . 4.280 4.331 4.202 4.368 0.088 4 0 "[ . 1 . 2]" 1
98 1 4 ALA MB 1 52 PHE HB2 . . 3.470 2.430 2.220 2.507 . 0 0 "[ . 1 . 2]" 1
99 1 4 ALA MB 1 52 PHE HB3 . . 3.490 2.176 2.013 2.252 . 0 0 "[ . 1 . 2]" 1
100 1 4 ALA MB 1 52 PHE QD . . 3.580 2.622 2.226 3.086 . 0 0 "[ . 1 . 2]" 1
101 1 4 ALA MB 1 52 PHE QE . . 4.380 4.027 3.813 4.327 . 0 0 "[ . 1 . 2]" 1
102 1 4 ALA MB 1 53 LEU H . . 4.290 4.149 3.972 4.330 0.040 14 0 "[ . 1 . 2]" 1
103 1 4 ALA MB 1 53 LEU HB2 . . 5.500 5.335 5.135 5.562 0.062 17 0 "[ . 1 . 2]" 1
104 1 5 ALA H 1 5 ALA MB . . 2.690 2.254 2.206 2.319 . 0 0 "[ . 1 . 2]" 1
105 1 5 ALA H 1 6 LYS H . . 2.900 2.764 2.693 2.870 . 0 0 "[ . 1 . 2]" 1
106 1 5 ALA H 1 6 LYS HA . . 5.500 5.330 5.265 5.393 . 0 0 "[ . 1 . 2]" 1
107 1 5 ALA H 1 6 LYS HB2 . . 4.450 4.513 4.480 4.523 0.073 17 0 "[ . 1 . 2]" 1
108 1 5 ALA H 1 8 VAL HB . . 5.100 4.967 4.761 5.162 0.062 17 0 "[ . 1 . 2]" 1
109 1 5 ALA H 1 8 VAL MG2 . . 4.470 4.351 4.110 4.506 0.036 17 0 "[ . 1 . 2]" 1
110 1 5 ALA H 1 49 LEU HA . . 5.500 5.474 5.251 5.545 0.045 12 0 "[ . 1 . 2]" 1
111 1 5 ALA H 1 52 PHE HB2 . . 5.420 4.579 4.272 4.794 . 0 0 "[ . 1 . 2]" 1
112 1 5 ALA H 1 52 PHE QD . . 4.380 4.074 3.850 4.256 . 0 0 "[ . 1 . 2]" 1
113 1 5 ALA H 1 52 PHE QE . . 4.470 4.207 3.904 4.508 0.038 6 0 "[ . 1 . 2]" 1
114 1 5 ALA HA 1 7 ILE H . . 4.660 4.591 4.378 4.718 0.058 18 0 "[ . 1 . 2]" 1
115 1 5 ALA HA 1 8 VAL H . . 3.690 3.294 3.109 3.426 . 0 0 "[ . 1 . 2]" 1
116 1 5 ALA HA 1 8 VAL HA . . 5.230 5.096 4.904 5.284 0.054 8 0 "[ . 1 . 2]" 1
117 1 5 ALA HA 1 8 VAL HB . . 3.490 2.317 2.117 2.531 . 0 0 "[ . 1 . 2]" 1
118 1 5 ALA HA 1 8 VAL MG1 . . 3.930 3.650 3.465 3.910 . 0 0 "[ . 1 . 2]" 1
119 1 5 ALA HA 1 8 VAL MG2 . . 3.450 2.754 2.451 2.959 . 0 0 "[ . 1 . 2]" 1
120 1 5 ALA HA 1 9 ASN H . . 4.060 3.851 3.716 3.997 . 0 0 "[ . 1 . 2]" 1
121 1 5 ALA HA 1 52 PHE QD . . 4.450 3.783 3.593 4.022 . 0 0 "[ . 1 . 2]" 1
122 1 5 ALA HA 1 52 PHE QE . . 3.460 2.695 2.459 3.149 . 0 0 "[ . 1 . 2]" 1
123 1 5 ALA HA 1 53 LEU HG . . 5.500 5.549 5.466 5.577 0.077 12 0 "[ . 1 . 2]" 1
124 1 5 ALA MB 1 6 LYS H . . 2.990 2.715 2.492 2.818 . 0 0 "[ . 1 . 2]" 1
125 1 5 ALA MB 1 6 LYS HA . . 4.130 3.763 3.602 3.862 . 0 0 "[ . 1 . 2]" 1
126 1 5 ALA MB 1 6 LYS HB2 . . 4.520 4.103 3.915 4.285 . 0 0 "[ . 1 . 2]" 1
127 1 5 ALA MB 1 6 LYS QE . . 5.500 5.194 2.708 5.615 0.115 15 0 "[ . 1 . 2]" 1
128 1 5 ALA MB 1 6 LYS QG . . 4.660 4.523 4.134 4.770 0.110 17 0 "[ . 1 . 2]" 1
129 1 5 ALA MB 1 7 ILE H . . 4.780 4.766 4.634 4.860 0.080 18 0 "[ . 1 . 2]" 1
130 1 5 ALA MB 1 8 VAL H . . 5.330 4.481 4.351 4.596 . 0 0 "[ . 1 . 2]" 1
131 1 5 ALA MB 1 8 VAL HB . . 3.960 3.682 3.514 3.916 . 0 0 "[ . 1 . 2]" 1
132 1 5 ALA MB 1 8 VAL MG2 . . 4.470 4.034 3.792 4.237 . 0 0 "[ . 1 . 2]" 1
133 1 5 ALA MB 1 9 ASN H . . 4.840 4.194 3.982 4.363 . 0 0 "[ . 1 . 2]" 1
134 1 5 ALA MB 1 9 ASN HD21 . . 5.270 5.313 5.162 5.365 0.095 4 0 "[ . 1 . 2]" 1
135 1 5 ALA MB 1 49 LEU QD . . 5.440 4.957 4.852 5.058 . 0 0 "[ . 1 . 2]" 1
136 1 5 ALA MB 1 52 PHE HB2 . . 5.500 5.050 4.754 5.300 . 0 0 "[ . 1 . 2]" 1
137 1 5 ALA MB 1 52 PHE QD . . 4.120 3.799 3.491 4.012 . 0 0 "[ . 1 . 2]" 1
138 1 5 ALA MB 1 52 PHE QE . . 3.240 2.841 2.381 3.050 . 0 0 "[ . 1 . 2]" 1
139 1 5 ALA MB 1 56 LEU QD . . 5.440 4.992 4.363 5.403 . 0 0 "[ . 1 . 2]" 1
140 1 6 LYS H 1 6 LYS HB2 . . 2.970 1.998 1.884 2.059 . 0 0 "[ . 1 . 2]" 1
141 1 6 LYS H 1 6 LYS HB3 . . 3.390 3.066 2.782 3.288 . 0 0 "[ . 1 . 2]" 1
142 1 6 LYS H 1 6 LYS QE . . 5.100 4.436 2.515 4.886 . 0 0 "[ . 1 . 2]" 1
143 1 6 LYS H 1 6 LYS HG2 . . 4.370 3.865 3.557 4.380 0.010 18 0 "[ . 1 . 2]" 1
144 1 6 LYS H 1 6 LYS QG . . 3.590 3.540 3.288 3.690 0.100 17 0 "[ . 1 . 2]" 1
145 1 6 LYS H 1 6 LYS HG3 . . 4.370 4.147 3.861 4.389 0.019 20 0 "[ . 1 . 2]" 1
146 1 6 LYS H 1 7 ILE H . . 3.200 2.780 2.622 2.890 . 0 0 "[ . 1 . 2]" 1
147 1 6 LYS H 1 7 ILE HA . . 5.430 5.374 5.256 5.471 0.041 3 0 "[ . 1 . 2]" 1
148 1 6 LYS H 1 7 ILE MD . . 3.970 3.749 3.576 4.016 0.046 8 0 "[ . 1 . 2]" 1
149 1 6 LYS H 1 7 ILE HG13 . . 4.780 4.643 4.236 4.830 0.050 9 0 "[ . 1 . 2]" 1
150 1 6 LYS H 1 8 VAL H . . 4.840 4.017 3.872 4.171 . 0 0 "[ . 1 . 2]" 1
151 1 6 LYS H 1 8 VAL HB . . 5.200 4.947 4.766 5.181 . 0 0 "[ . 1 . 2]" 1
152 1 6 LYS H 1 49 LEU QD . . 5.290 4.927 4.780 5.146 . 0 0 "[ . 1 . 2]" 1
153 1 6 LYS HA 1 6 LYS QD . . 3.640 3.351 2.117 3.712 0.072 19 0 "[ . 1 . 2]" 1
154 1 6 LYS HA 1 6 LYS QE . . 3.540 2.475 1.816 2.932 . 0 0 "[ . 1 . 2]" 1
155 1 6 LYS HA 1 8 VAL H . . 4.780 4.494 4.214 4.750 . 0 0 "[ . 1 . 2]" 1
156 1 6 LYS HA 1 9 ASN H . . 4.290 3.856 3.534 4.114 . 0 0 "[ . 1 . 2]" 1
157 1 6 LYS HA 1 9 ASN HB3 . . 3.780 3.326 2.985 3.574 . 0 0 "[ . 1 . 2]" 1
158 1 6 LYS HA 1 9 ASN HD21 . . 4.360 2.610 2.165 2.843 . 0 0 "[ . 1 . 2]" 1
159 1 6 LYS HA 1 9 ASN HD22 . . 4.540 3.905 3.360 4.137 . 0 0 "[ . 1 . 2]" 1
160 1 6 LYS HB2 1 7 ILE H . . 4.040 3.178 2.941 3.399 . 0 0 "[ . 1 . 2]" 1
161 1 6 LYS HB3 1 7 ILE H . . 3.530 2.544 2.304 2.839 . 0 0 "[ . 1 . 2]" 1
162 1 6 LYS HB3 1 7 ILE HA . . 4.060 3.960 3.807 4.081 0.021 9 0 "[ . 1 . 2]" 1
163 1 6 LYS HB3 1 7 ILE MD . . 4.470 3.667 3.259 4.158 . 0 0 "[ . 1 . 2]" 1
164 1 6 LYS QE 1 6 LYS QG . . 3.420 2.361 2.120 2.856 . 0 0 "[ . 1 . 2]" 1
165 1 6 LYS QE 1 7 ILE H . . 5.180 4.251 3.746 4.609 . 0 0 "[ . 1 . 2]" 1
166 1 6 LYS QE 1 7 ILE MD . . 5.500 5.416 4.715 5.609 0.109 17 0 "[ . 1 . 2]" 1
167 1 6 LYS QE 1 9 ASN HD21 . . 3.570 2.502 1.905 3.649 0.079 18 0 "[ . 1 . 2]" 1
168 1 6 LYS QE 1 9 ASN HD22 . . 4.180 2.716 2.044 4.256 0.076 17 0 "[ . 1 . 2]" 1
169 1 6 LYS QG 1 7 ILE H . . 5.340 4.369 4.161 4.536 . 0 0 "[ . 1 . 2]" 1
170 1 6 LYS QG 1 9 ASN HD21 . . 4.740 4.058 2.751 4.526 . 0 0 "[ . 1 . 2]" 1
171 1 7 ILE H 1 7 ILE HB . . 3.110 2.827 2.519 3.016 . 0 0 "[ . 1 . 2]" 1
172 1 7 ILE H 1 7 ILE MD . . 3.330 2.157 1.895 2.604 . 0 0 "[ . 1 . 2]" 1
173 1 7 ILE H 1 7 ILE HG12 . . 3.740 3.643 3.488 3.730 . 0 0 "[ . 1 . 2]" 1
174 1 7 ILE H 1 7 ILE HG13 . . 3.160 2.249 1.944 2.382 . 0 0 "[ . 1 . 2]" 1
175 1 7 ILE H 1 7 ILE MG . . 3.830 3.787 3.729 3.841 0.011 9 0 "[ . 1 . 2]" 1
176 1 7 ILE H 1 8 VAL H . . 3.390 2.685 2.626 2.817 . 0 0 "[ . 1 . 2]" 1
177 1 7 ILE H 1 8 VAL HB . . 4.870 4.806 4.618 4.917 0.047 17 0 "[ . 1 . 2]" 1
178 1 7 ILE H 1 8 VAL MG2 . . 4.760 4.257 4.101 4.430 . 0 0 "[ . 1 . 2]" 1
179 1 7 ILE H 1 9 ASN H . . 5.420 4.479 4.375 4.607 . 0 0 "[ . 1 . 2]" 1
180 1 7 ILE H 1 9 ASN HB3 . . 5.460 5.520 5.451 5.535 0.075 12 0 "[ . 1 . 2]" 1
181 1 7 ILE H 1 49 LEU MD1 . . 5.020 5.004 4.841 5.102 0.082 12 0 "[ . 1 . 2]" 1
182 1 7 ILE H 1 49 LEU QD . . 3.850 3.731 3.551 3.890 0.040 7 0 "[ . 1 . 2]" 1
183 1 7 ILE H 1 49 LEU MD2 . . 5.020 3.851 3.623 4.039 . 0 0 "[ . 1 . 2]" 1
184 1 7 ILE HA 1 7 ILE MD . . 3.980 3.786 3.699 3.895 . 0 0 "[ . 1 . 2]" 1
185 1 7 ILE HA 1 7 ILE HG12 . . 3.700 3.515 3.174 3.739 0.039 3 0 "[ . 1 . 2]" 1
186 1 7 ILE HA 1 7 ILE HG13 . . 3.620 2.787 2.575 2.960 . 0 0 "[ . 1 . 2]" 1
187 1 7 ILE HA 1 7 ILE MG . . 3.330 2.274 2.184 2.405 . 0 0 "[ . 1 . 2]" 1
188 1 7 ILE HA 1 9 ASN H . . 4.770 4.614 4.492 4.747 . 0 0 "[ . 1 . 2]" 1
189 1 7 ILE HA 1 10 GLU H . . 3.740 3.337 3.178 3.548 . 0 0 "[ . 1 . 2]" 1
190 1 7 ILE HA 1 10 GLU QB . . 3.850 2.631 2.327 3.427 . 0 0 "[ . 1 . 2]" 1
191 1 7 ILE HA 1 11 ALA H . . 4.580 4.189 3.857 4.376 . 0 0 "[ . 1 . 2]" 1
192 1 7 ILE HA 1 11 ALA MB . . 5.210 4.892 4.606 5.058 . 0 0 "[ . 1 . 2]" 1
193 1 7 ILE HA 1 38 LEU MD1 . . 5.120 4.787 4.391 4.989 . 0 0 "[ . 1 . 2]" 1
194 1 7 ILE HA 1 42 TRP HE1 . . 5.020 4.882 4.611 5.088 0.068 14 0 "[ . 1 . 2]" 1
195 1 7 ILE HA 1 49 LEU MD1 . . 5.500 5.422 5.153 5.587 0.087 3 0 "[ . 1 . 2]" 1
196 1 7 ILE HA 1 49 LEU MD2 . . 5.500 4.843 4.702 5.031 . 0 0 "[ . 1 . 2]" 1
197 1 7 ILE HB 1 7 ILE MD . . 3.370 2.137 2.006 2.227 . 0 0 "[ . 1 . 2]" 1
198 1 7 ILE HB 1 8 VAL H . . 3.420 2.877 2.592 3.165 . 0 0 "[ . 1 . 2]" 1
199 1 7 ILE HB 1 8 VAL HB . . 5.440 5.155 4.955 5.419 . 0 0 "[ . 1 . 2]" 1
200 1 7 ILE HB 1 18 LEU MD1 . . 4.510 3.284 3.012 3.791 . 0 0 "[ . 1 . 2]" 1
201 1 7 ILE HB 1 18 LEU MD2 . . 5.350 5.196 4.977 5.417 0.067 14 0 "[ . 1 . 2]" 1
202 1 7 ILE HB 1 49 LEU MD1 . . 4.470 2.971 2.728 3.132 . 0 0 "[ . 1 . 2]" 1
203 1 7 ILE HB 1 49 LEU QD . . 3.220 2.202 2.014 2.500 . 0 0 "[ . 1 . 2]" 1
204 1 7 ILE HB 1 49 LEU MD2 . . 4.470 2.276 2.039 2.635 . 0 0 "[ . 1 . 2]" 1
205 1 7 ILE MD 1 7 ILE MG . . 3.000 2.812 2.389 3.058 0.058 20 0 "[ . 1 . 2]" 1
206 1 7 ILE MD 1 8 VAL H . . 4.570 3.460 3.122 3.912 . 0 0 "[ . 1 . 2]" 1
207 1 7 ILE MD 1 8 VAL MG2 . . 4.620 3.840 3.539 4.214 . 0 0 "[ . 1 . 2]" 1
208 1 7 ILE MD 1 18 LEU MD1 . . 4.310 4.189 4.016 4.449 0.139 3 0 "[ . 1 . 2]" 1
209 1 7 ILE MD 1 18 LEU MD2 . . 5.500 5.602 5.488 5.628 0.128 8 0 "[ . 1 . 2]" 1
210 1 7 ILE MD 1 41 GLU HB2 . . 5.500 5.490 5.302 5.573 0.073 18 0 "[ . 1 . 2]" 1
211 1 7 ILE MD 1 41 GLU HB3 . . 4.300 4.348 4.007 4.395 0.095 1 0 "[ . 1 . 2]" 1
212 1 7 ILE MD 1 41 GLU QG . . 4.000 3.204 2.945 4.109 0.109 19 0 "[ . 1 . 2]" 1
213 1 7 ILE MD 1 42 TRP HA . . 4.500 3.960 3.738 4.217 . 0 0 "[ . 1 . 2]" 1
214 1 7 ILE MD 1 42 TRP HD1 . . 3.980 3.867 3.698 4.047 0.067 17 0 "[ . 1 . 2]" 1
215 1 7 ILE MD 1 42 TRP HE1 . . 5.380 5.251 4.942 5.442 0.062 7 0 "[ . 1 . 2]" 1
216 1 7 ILE MD 1 45 HIS H . . 4.460 4.271 4.039 4.483 0.023 5 0 "[ . 1 . 2]" 1
217 1 7 ILE MD 1 45 HIS HA . . 4.850 4.682 4.368 4.934 0.084 17 0 "[ . 1 . 2]" 1
218 1 7 ILE MD 1 45 HIS HB2 . . 3.830 2.362 2.145 2.601 . 0 0 "[ . 1 . 2]" 1
219 1 7 ILE MD 1 45 HIS HB3 . . 4.090 2.792 2.494 3.071 . 0 0 "[ . 1 . 2]" 1
220 1 7 ILE MD 1 45 HIS HD2 . . 4.330 3.669 3.063 4.411 0.081 19 0 "[ . 1 . 2]" 1
221 1 7 ILE MD 1 45 HIS HE1 . . 4.880 4.604 3.791 4.967 0.087 13 0 "[ . 1 . 2]" 1
222 1 7 ILE MD 1 49 LEU HA . . 4.740 4.464 4.237 4.630 . 0 0 "[ . 1 . 2]" 1
223 1 7 ILE MD 1 49 LEU MD1 . . 3.430 2.102 1.962 2.246 . 0 0 "[ . 1 . 2]" 1
224 1 7 ILE MD 1 49 LEU QD . . 3.000 1.952 1.768 2.125 . 0 0 "[ . 1 . 2]" 1
225 1 7 ILE MD 1 49 LEU MD2 . . 3.430 2.346 1.896 2.705 . 0 0 "[ . 1 . 2]" 1
226 1 7 ILE MD 1 53 LEU MD1 . . 5.500 5.444 5.267 5.611 0.111 12 0 "[ . 1 . 2]" 1
227 1 7 ILE HG12 1 7 ILE MG . . 3.410 2.125 2.063 2.175 . 0 0 "[ . 1 . 2]" 1
228 1 7 ILE HG12 1 42 TRP HA . . 4.920 4.758 4.326 4.987 0.067 19 0 "[ . 1 . 2]" 1
229 1 7 ILE HG12 1 49 LEU QD . . 3.840 3.423 3.242 3.651 . 0 0 "[ . 1 . 2]" 1
230 1 7 ILE HG13 1 7 ILE MG . . 3.660 2.889 2.720 3.077 . 0 0 "[ . 1 . 2]" 1
231 1 7 ILE HG13 1 8 VAL H . . 4.450 4.471 4.269 4.517 0.067 20 0 "[ . 1 . 2]" 1
232 1 7 ILE MG 1 10 GLU H . . 4.710 4.524 4.296 4.726 0.016 10 0 "[ . 1 . 2]" 1
233 1 7 ILE MG 1 11 ALA H . . 4.270 4.008 3.777 4.272 0.002 10 0 "[ . 1 . 2]" 1
234 1 7 ILE MG 1 11 ALA MB . . 4.170 3.515 3.218 3.747 . 0 0 "[ . 1 . 2]" 1
235 1 7 ILE MG 1 18 LEU MD1 . . 3.580 2.811 2.165 3.591 0.011 3 0 "[ . 1 . 2]" 1
236 1 7 ILE MG 1 41 GLU HB3 . . 3.980 2.320 2.046 2.800 . 0 0 "[ . 1 . 2]" 1
237 1 7 ILE MG 1 42 TRP H . . 4.190 3.662 3.414 3.945 . 0 0 "[ . 1 . 2]" 1
238 1 7 ILE MG 1 42 TRP HA . . 3.800 3.379 3.020 3.835 0.035 3 0 "[ . 1 . 2]" 1
239 1 7 ILE MG 1 42 TRP HD1 . . 2.890 2.106 1.878 2.522 . 0 0 "[ . 1 . 2]" 1
240 1 7 ILE MG 1 42 TRP HE1 . . 3.140 2.226 1.842 2.658 . 0 0 "[ . 1 . 2]" 1
241 1 7 ILE MG 1 45 HIS H . . 5.360 5.251 4.844 5.452 0.092 19 0 "[ . 1 . 2]" 1
242 1 7 ILE MG 1 49 LEU QD . . 3.080 2.754 2.133 3.110 0.030 3 0 "[ . 1 . 2]" 1
243 1 8 VAL H 1 8 VAL HB . . 3.020 2.422 2.311 2.540 . 0 0 "[ . 1 . 2]" 1
244 1 8 VAL H 1 8 VAL MG1 . . 3.790 3.777 3.729 3.823 0.033 11 0 "[ . 1 . 2]" 1
245 1 8 VAL H 1 8 VAL MG2 . . 3.100 2.264 2.111 2.399 . 0 0 "[ . 1 . 2]" 1
246 1 8 VAL H 1 9 ASN H . . 3.310 2.820 2.680 2.949 . 0 0 "[ . 1 . 2]" 1
247 1 8 VAL H 1 10 GLU H . . 4.400 4.112 3.989 4.266 . 0 0 "[ . 1 . 2]" 1
248 1 8 VAL H 1 11 ALA H . . 4.820 4.750 4.651 4.856 0.036 10 0 "[ . 1 . 2]" 1
249 1 8 VAL H 1 11 ALA MB . . 4.790 4.801 4.700 4.878 0.088 12 0 "[ . 1 . 2]" 1
250 1 8 VAL H 1 18 LEU MD1 . . 4.210 3.521 3.289 3.902 . 0 0 "[ . 1 . 2]" 1
251 1 8 VAL H 1 49 LEU QD . . 3.670 3.147 3.004 3.315 . 0 0 "[ . 1 . 2]" 1
252 1 8 VAL H 1 52 PHE QE . . 5.320 5.026 4.730 5.353 0.033 12 0 "[ . 1 . 2]" 1
253 1 8 VAL HA 1 8 VAL MG1 . . 3.230 2.494 2.338 2.607 . 0 0 "[ . 1 . 2]" 1
254 1 8 VAL HA 1 8 VAL MG2 . . 2.930 2.410 2.318 2.526 . 0 0 "[ . 1 . 2]" 1
255 1 8 VAL HA 1 10 GLU H . . 4.460 4.291 4.182 4.422 . 0 0 "[ . 1 . 2]" 1
256 1 8 VAL HA 1 11 ALA H . . 3.860 3.365 3.247 3.555 . 0 0 "[ . 1 . 2]" 1
257 1 8 VAL HA 1 11 ALA MB . . 3.530 2.683 2.528 2.860 . 0 0 "[ . 1 . 2]" 1
258 1 8 VAL HA 1 12 LEU H . . 4.490 4.144 3.877 4.496 0.006 12 0 "[ . 1 . 2]" 1
259 1 8 VAL HA 1 18 LEU H . . 5.000 4.595 4.254 5.063 0.063 3 0 "[ . 1 . 2]" 1
260 1 8 VAL HA 1 18 LEU HB2 . . 4.500 3.265 2.955 3.735 . 0 0 "[ . 1 . 2]" 1
261 1 8 VAL HA 1 18 LEU HB3 . . 5.490 4.528 4.086 4.860 . 0 0 "[ . 1 . 2]" 1
262 1 8 VAL HA 1 18 LEU MD1 . . 3.270 1.961 1.828 2.064 . 0 0 "[ . 1 . 2]" 1
263 1 8 VAL HA 1 18 LEU MD2 . . 4.680 4.563 4.432 4.700 0.020 17 0 "[ . 1 . 2]" 1
264 1 8 VAL HA 1 49 LEU QD . . 4.170 3.807 3.642 3.971 . 0 0 "[ . 1 . 2]" 1
265 1 8 VAL HB 1 9 ASN H . . 3.230 2.460 2.346 2.527 . 0 0 "[ . 1 . 2]" 1
266 1 8 VAL HB 1 9 ASN HB2 . . 5.220 5.207 5.000 5.275 0.055 17 0 "[ . 1 . 2]" 1
267 1 8 VAL HB 1 9 ASN HB3 . . 4.450 4.177 4.025 4.273 . 0 0 "[ . 1 . 2]" 1
268 1 8 VAL HB 1 9 ASN HD21 . . 5.500 5.533 5.437 5.568 0.068 16 0 "[ . 1 . 2]" 1
269 1 8 VAL HB 1 10 GLU H . . 4.910 4.951 4.764 4.975 0.065 6 0 "[ . 1 . 2]" 1
270 1 8 VAL HB 1 12 LEU HG . . 5.500 5.052 4.767 5.356 . 0 0 "[ . 1 . 2]" 1
271 1 8 VAL HB 1 18 LEU MD1 . . 4.860 4.070 3.962 4.233 . 0 0 "[ . 1 . 2]" 1
272 1 8 VAL HB 1 49 LEU QD . . 4.240 4.158 4.022 4.312 0.072 17 0 "[ . 1 . 2]" 1
273 1 8 VAL HB 1 52 PHE QE . . 4.440 3.236 3.032 3.457 . 0 0 "[ . 1 . 2]" 1
274 1 8 VAL MG1 1 9 ASN H . . 3.470 3.160 3.026 3.307 . 0 0 "[ . 1 . 2]" 1
275 1 8 VAL MG1 1 9 ASN HA . . 3.790 3.342 3.194 3.499 . 0 0 "[ . 1 . 2]" 1
276 1 8 VAL MG1 1 10 GLU H . . 4.980 4.900 4.746 5.005 0.025 1 0 "[ . 1 . 2]" 1
277 1 8 VAL MG1 1 11 ALA H . . 4.580 4.624 4.366 4.670 0.090 15 0 "[ . 1 . 2]" 1
278 1 8 VAL MG1 1 11 ALA MB . . 3.710 3.595 3.321 3.787 0.077 6 0 "[ . 1 . 2]" 1
279 1 8 VAL MG1 1 12 LEU H . . 4.270 4.007 3.805 4.287 0.017 12 0 "[ . 1 . 2]" 1
280 1 8 VAL MG1 1 12 LEU HG . . 3.980 2.823 2.534 3.118 . 0 0 "[ . 1 . 2]" 1
281 1 8 VAL MG1 1 18 LEU H . . 4.550 3.391 2.917 3.710 . 0 0 "[ . 1 . 2]" 1
282 1 8 VAL MG1 1 18 LEU HA . . 5.490 5.304 4.896 5.548 0.058 19 0 "[ . 1 . 2]" 1
283 1 8 VAL MG1 1 18 LEU HB2 . . 4.490 2.771 2.422 2.982 . 0 0 "[ . 1 . 2]" 1
284 1 8 VAL MG1 1 18 LEU MD1 . . 3.530 3.137 2.807 3.322 . 0 0 "[ . 1 . 2]" 1
285 1 8 VAL MG1 1 18 LEU MD2 . . 5.070 4.980 4.763 5.155 0.085 19 0 "[ . 1 . 2]" 1
286 1 8 VAL MG1 1 52 PHE QD . . 4.540 4.253 3.982 4.581 0.041 5 0 "[ . 1 . 2]" 1
287 1 8 VAL MG1 1 52 PHE QE . . 3.870 2.772 2.453 3.376 . 0 0 "[ . 1 . 2]" 1
288 1 8 VAL MG1 1 53 LEU MD1 . . 4.310 3.884 3.630 4.076 . 0 0 "[ . 1 . 2]" 1
289 1 8 VAL MG1 1 53 LEU MD2 . . 3.150 2.684 2.475 2.830 . 0 0 "[ . 1 . 2]" 1
290 1 8 VAL MG1 1 53 LEU HG . . 4.410 4.303 4.016 4.474 0.064 17 0 "[ . 1 . 2]" 1
291 1 8 VAL MG1 1 56 LEU QD . . 3.930 3.636 3.371 3.971 0.041 7 0 "[ . 1 . 2]" 1
292 1 8 VAL MG2 1 9 ASN H . . 3.880 3.922 3.777 3.952 0.072 3 0 "[ . 1 . 2]" 1
293 1 8 VAL MG2 1 18 LEU HB2 . . 3.660 2.480 2.197 2.864 . 0 0 "[ . 1 . 2]" 1
294 1 8 VAL MG2 1 18 LEU MD1 . . 2.880 2.118 2.022 2.482 . 0 0 "[ . 1 . 2]" 1
295 1 8 VAL MG2 1 18 LEU MD2 . . 4.450 4.107 3.950 4.213 . 0 0 "[ . 1 . 2]" 1
296 1 8 VAL MG2 1 49 LEU HB3 . . 5.080 4.310 4.141 4.510 . 0 0 "[ . 1 . 2]" 1
297 1 8 VAL MG2 1 49 LEU QD . . 2.960 2.101 2.001 2.248 . 0 0 "[ . 1 . 2]" 1
298 1 8 VAL MG2 1 52 PHE QD . . 3.510 2.576 2.421 2.820 . 0 0 "[ . 1 . 2]" 1
299 1 8 VAL MG2 1 52 PHE QE . . 3.480 2.308 2.114 2.615 . 0 0 "[ . 1 . 2]" 1
300 1 8 VAL MG2 1 53 LEU MD1 . . 3.730 2.465 2.185 2.782 . 0 0 "[ . 1 . 2]" 1
301 1 9 ASN H 1 9 ASN HB2 . . 3.330 3.289 3.161 3.346 0.016 1 0 "[ . 1 . 2]" 1
302 1 9 ASN H 1 9 ASN HB3 . . 2.950 2.071 1.965 2.129 . 0 0 "[ . 1 . 2]" 1
303 1 9 ASN H 1 9 ASN HD21 . . 4.030 3.228 3.118 3.325 . 0 0 "[ . 1 . 2]" 1
304 1 9 ASN H 1 9 ASN HD22 . . 4.880 4.814 4.707 4.910 0.030 12 0 "[ . 1 . 2]" 1
305 1 9 ASN H 1 10 GLU H . . 3.190 2.839 2.746 2.903 . 0 0 "[ . 1 . 2]" 1
306 1 9 ASN H 1 10 GLU QB . . 4.840 4.773 4.402 4.901 0.061 16 0 "[ . 1 . 2]" 1
307 1 9 ASN H 1 10 GLU QG . . 5.200 4.842 4.343 5.271 0.071 10 0 "[ . 1 . 2]" 1
308 1 9 ASN H 1 11 ALA H . . 4.260 4.274 4.188 4.323 0.063 9 0 "[ . 1 . 2]" 1
309 1 9 ASN H 1 11 ALA MB . . 4.960 4.927 4.792 4.990 0.030 8 0 "[ . 1 . 2]" 1
310 1 9 ASN H 1 12 LEU H . . 5.220 4.924 4.780 5.096 . 0 0 "[ . 1 . 2]" 1
311 1 9 ASN H 1 18 LEU MD1 . . 5.500 4.901 4.764 4.962 . 0 0 "[ . 1 . 2]" 1
312 1 9 ASN H 1 49 LEU QD . . 5.440 5.324 5.214 5.451 0.011 17 0 "[ . 1 . 2]" 1
313 1 9 ASN H 1 52 PHE QE . . 5.420 5.428 5.292 5.494 0.074 18 0 "[ . 1 . 2]" 1
314 1 9 ASN HA 1 9 ASN HD22 . . 5.210 5.120 4.940 5.246 0.036 17 0 "[ . 1 . 2]" 1
315 1 9 ASN HA 1 10 GLU HA . . 4.970 4.740 4.651 4.811 . 0 0 "[ . 1 . 2]" 1
316 1 9 ASN HA 1 11 ALA H . . 4.560 4.395 4.202 4.519 . 0 0 "[ . 1 . 2]" 1
317 1 9 ASN HA 1 12 LEU H . . 3.740 3.557 3.386 3.737 . 0 0 "[ . 1 . 2]" 1
318 1 9 ASN HA 1 12 LEU HB2 . . 3.570 3.104 2.639 3.530 . 0 0 "[ . 1 . 2]" 1
319 1 9 ASN HA 1 12 LEU MD1 . . 3.430 2.667 2.219 3.178 . 0 0 "[ . 1 . 2]" 1
320 1 9 ASN HA 1 12 LEU HG . . 3.410 2.915 2.568 3.027 . 0 0 "[ . 1 . 2]" 1
321 1 9 ASN HB2 1 10 GLU H . . 4.210 4.249 4.190 4.277 0.067 4 0 "[ . 1 . 2]" 1
322 1 9 ASN HB2 1 10 GLU HA . . 5.310 5.359 5.286 5.378 0.068 12 0 "[ . 1 . 2]" 1
323 1 9 ASN HB2 1 12 LEU HG . . 5.290 5.050 4.703 5.168 . 0 0 "[ . 1 . 2]" 1
324 1 9 ASN HB3 1 10 GLU H . . 3.450 3.440 3.342 3.513 0.063 10 0 "[ . 1 . 2]" 1
325 1 9 ASN HB3 1 12 LEU HG . . 5.500 5.535 5.249 5.571 0.071 19 0 "[ . 1 . 2]" 1
326 1 9 ASN HD21 1 10 GLU H . . 4.370 2.666 2.367 2.966 . 0 0 "[ . 1 . 2]" 1
327 1 9 ASN HD21 1 10 GLU HA . . 4.590 4.297 3.835 4.615 0.025 3 0 "[ . 1 . 2]" 1
328 1 9 ASN HD22 1 10 GLU H . . 5.160 3.653 3.357 3.940 . 0 0 "[ . 1 . 2]" 1
329 1 10 GLU H 1 10 GLU QB . . 2.970 2.300 2.014 2.446 . 0 0 "[ . 1 . 2]" 1
330 1 10 GLU H 1 10 GLU QG . . 3.220 2.623 2.173 2.986 . 0 0 "[ . 1 . 2]" 1
331 1 10 GLU H 1 11 ALA H . . 3.230 2.593 2.443 2.718 . 0 0 "[ . 1 . 2]" 1
332 1 10 GLU H 1 11 ALA HA . . 5.300 5.221 5.141 5.317 0.017 1 0 "[ . 1 . 2]" 1
333 1 10 GLU H 1 11 ALA MB . . 4.480 4.272 4.138 4.392 . 0 0 "[ . 1 . 2]" 1
334 1 10 GLU H 1 12 LEU H . . 4.530 4.250 4.058 4.423 . 0 0 "[ . 1 . 2]" 1
335 1 10 GLU H 1 12 LEU HG . . 5.300 5.166 4.946 5.299 . 0 0 "[ . 1 . 2]" 1
336 1 10 GLU H 1 13 ASN H . . 5.090 4.798 4.598 4.968 . 0 0 "[ . 1 . 2]" 1
337 1 10 GLU H 1 18 LEU MD1 . . 5.500 5.101 4.850 5.261 . 0 0 "[ . 1 . 2]" 1
338 1 10 GLU H 1 38 LEU MD1 . . 5.500 5.478 5.037 5.593 0.093 10 0 "[ . 1 . 2]" 1
339 1 10 GLU HA 1 10 GLU QG . . 3.520 2.403 2.143 3.269 . 0 0 "[ . 1 . 2]" 1
340 1 10 GLU HA 1 11 ALA MB . . 5.150 5.051 4.998 5.089 . 0 0 "[ . 1 . 2]" 1
341 1 10 GLU HA 1 12 LEU H . . 4.920 4.572 4.325 4.699 . 0 0 "[ . 1 . 2]" 1
342 1 10 GLU HA 1 13 ASN H . . 3.680 3.381 3.045 3.593 . 0 0 "[ . 1 . 2]" 1
343 1 10 GLU HA 1 13 ASN QB . . 3.210 2.605 2.218 3.064 . 0 0 "[ . 1 . 2]" 1
344 1 10 GLU HA 1 13 ASN QD . . 3.840 2.699 1.856 3.243 . 0 0 "[ . 1 . 2]" 1
345 1 10 GLU HA 1 14 GLN HE21 . . 5.330 4.419 3.484 5.092 . 0 0 "[ . 1 . 2]" 1
346 1 10 GLU HA 1 14 GLN HE22 . . 4.500 3.479 2.978 4.169 . 0 0 "[ . 1 . 2]" 1
347 1 10 GLU QB 1 11 ALA H . . 3.400 2.805 2.632 3.481 0.081 15 0 "[ . 1 . 2]" 1
348 1 10 GLU QB 1 12 LEU H . . 5.340 4.929 4.749 5.333 . 0 0 "[ . 1 . 2]" 1
349 1 10 GLU QB 1 14 GLN HE22 . . 4.780 2.919 2.204 3.668 . 0 0 "[ . 1 . 2]" 1
350 1 10 GLU HB2 1 11 ALA H . . 4.170 2.974 2.699 4.232 0.062 10 0 "[ . 1 . 2]" 1
351 1 10 GLU HB3 1 11 ALA H . . 4.170 3.609 3.167 3.750 . 0 0 "[ . 1 . 2]" 1
352 1 10 GLU QG 1 11 ALA H . . 4.430 4.116 2.426 4.501 0.071 6 0 "[ . 1 . 2]" 1
353 1 10 GLU QG 1 13 ASN QB . . 4.350 4.242 3.854 4.434 0.084 10 0 "[ . 1 . 2]" 1
354 1 11 ALA H 1 11 ALA MB . . 2.830 2.220 2.099 2.336 . 0 0 "[ . 1 . 2]" 1
355 1 11 ALA H 1 12 LEU H . . 3.210 2.729 2.583 2.819 . 0 0 "[ . 1 . 2]" 1
356 1 11 ALA H 1 12 LEU HG . . 4.330 4.359 4.079 4.401 0.071 4 0 "[ . 1 . 2]" 1
357 1 11 ALA H 1 13 ASN H . . 4.460 4.143 3.990 4.337 . 0 0 "[ . 1 . 2]" 1
358 1 11 ALA H 1 13 ASN QB . . 5.130 5.009 4.757 5.197 0.067 12 0 "[ . 1 . 2]" 1
359 1 11 ALA H 1 16 ILE HB . . 5.200 5.126 4.991 5.223 0.023 12 0 "[ . 1 . 2]" 1
360 1 11 ALA H 1 16 ILE MG . . 5.280 5.316 5.171 5.364 0.084 12 0 "[ . 1 . 2]" 1
361 1 11 ALA H 1 18 LEU MD1 . . 4.320 3.760 3.444 3.964 . 0 0 "[ . 1 . 2]" 1
362 1 11 ALA H 1 38 LEU MD1 . . 5.500 4.410 4.073 4.653 . 0 0 "[ . 1 . 2]" 1
363 1 11 ALA H 1 38 LEU HG . . 5.180 4.657 4.227 5.062 . 0 0 "[ . 1 . 2]" 1
364 1 11 ALA H 1 42 TRP HE1 . . 4.670 4.395 4.075 4.718 0.048 19 0 "[ . 1 . 2]" 1
365 1 11 ALA H 1 42 TRP HZ2 . . 5.290 5.101 4.772 5.277 . 0 0 "[ . 1 . 2]" 1
366 1 11 ALA HA 1 14 GLN H . . 3.700 3.463 3.297 3.552 . 0 0 "[ . 1 . 2]" 1
367 1 11 ALA HA 1 14 GLN HB2 . . 3.660 2.994 2.786 3.155 . 0 0 "[ . 1 . 2]" 1
368 1 11 ALA HA 1 14 GLN HB3 . . 4.710 4.479 4.152 4.737 0.027 9 0 "[ . 1 . 2]" 1
369 1 11 ALA HA 1 14 GLN HE21 . . 4.270 3.899 3.552 4.098 . 0 0 "[ . 1 . 2]" 1
370 1 11 ALA HA 1 14 GLN HE22 . . 5.160 4.862 4.222 5.216 0.056 16 0 "[ . 1 . 2]" 1
371 1 11 ALA HA 1 16 ILE H . . 4.390 4.132 3.968 4.258 . 0 0 "[ . 1 . 2]" 1
372 1 11 ALA HA 1 16 ILE HB . . 4.040 2.811 2.597 3.141 . 0 0 "[ . 1 . 2]" 1
373 1 11 ALA HA 1 16 ILE MD . . 3.710 2.854 2.608 3.065 . 0 0 "[ . 1 . 2]" 1
374 1 11 ALA HA 1 16 ILE MG . . 4.110 3.742 3.523 4.027 . 0 0 "[ . 1 . 2]" 1
375 1 11 ALA HA 1 18 LEU MD1 . . 4.780 4.594 4.236 4.833 0.053 15 0 "[ . 1 . 2]" 1
376 1 11 ALA HA 1 38 LEU MD1 . . 4.360 3.587 3.139 3.920 . 0 0 "[ . 1 . 2]" 1
377 1 11 ALA HA 1 38 LEU HG . . 4.030 3.626 3.210 4.004 . 0 0 "[ . 1 . 2]" 1
378 1 11 ALA HA 1 42 TRP HE1 . . 4.910 4.581 4.247 4.920 0.010 19 0 "[ . 1 . 2]" 1
379 1 11 ALA HA 1 42 TRP HZ2 . . 3.760 3.600 3.260 3.817 0.057 17 0 "[ . 1 . 2]" 1
380 1 11 ALA MB 1 12 LEU H . . 3.140 2.443 2.285 2.682 . 0 0 "[ . 1 . 2]" 1
381 1 11 ALA MB 1 12 LEU HA . . 4.160 3.873 3.711 3.994 . 0 0 "[ . 1 . 2]" 1
382 1 11 ALA MB 1 12 LEU HB2 . . 4.770 4.767 4.655 4.844 0.074 6 0 "[ . 1 . 2]" 1
383 1 11 ALA MB 1 12 LEU MD2 . . 3.820 3.298 2.765 3.826 0.006 12 0 "[ . 1 . 2]" 1
384 1 11 ALA MB 1 12 LEU HG . . 3.940 3.559 3.349 3.781 . 0 0 "[ . 1 . 2]" 1
385 1 11 ALA MB 1 13 ASN H . . 4.500 4.524 4.473 4.564 0.064 3 0 "[ . 1 . 2]" 1
386 1 11 ALA MB 1 14 GLN HE21 . . 5.230 5.213 4.952 5.309 0.079 19 0 "[ . 1 . 2]" 1
387 1 11 ALA MB 1 16 ILE H . . 4.760 3.798 3.654 3.910 . 0 0 "[ . 1 . 2]" 1
388 1 11 ALA MB 1 16 ILE HA . . 4.420 4.440 4.334 4.492 0.072 6 0 "[ . 1 . 2]" 1
389 1 11 ALA MB 1 16 ILE MG . . 3.270 2.229 2.137 2.308 . 0 0 "[ . 1 . 2]" 1
390 1 11 ALA MB 1 17 THR HA . . 4.750 3.954 3.505 4.164 . 0 0 "[ . 1 . 2]" 1
391 1 11 ALA MB 1 17 THR MG . . 5.240 5.236 4.930 5.347 0.107 15 0 "[ . 1 . 2]" 1
392 1 11 ALA MB 1 18 LEU H . . 4.100 3.592 3.139 3.995 . 0 0 "[ . 1 . 2]" 1
393 1 11 ALA MB 1 18 LEU HB2 . . 3.920 3.648 3.295 3.938 0.018 12 0 "[ . 1 . 2]" 1
394 1 11 ALA MB 1 18 LEU HB3 . . 4.850 4.611 4.354 4.814 . 0 0 "[ . 1 . 2]" 1
395 1 11 ALA MB 1 18 LEU MD1 . . 3.180 2.247 1.889 2.437 . 0 0 "[ . 1 . 2]" 1
396 1 11 ALA MB 1 18 LEU MD2 . . 3.780 3.341 3.186 3.461 . 0 0 "[ . 1 . 2]" 1
397 1 11 ALA MB 1 18 LEU HG . . 3.020 2.389 2.184 2.733 . 0 0 "[ . 1 . 2]" 1
398 1 11 ALA MB 1 27 TYR HB2 . . 4.590 4.398 4.157 4.589 . 0 0 "[ . 1 . 2]" 1
399 1 11 ALA MB 1 38 LEU MD2 . . 4.420 2.961 2.688 3.211 . 0 0 "[ . 1 . 2]" 1
400 1 11 ALA MB 1 38 LEU HG . . 3.510 3.207 2.766 3.565 0.055 1 0 "[ . 1 . 2]" 1
401 1 11 ALA MB 1 42 TRP HE1 . . 3.530 2.595 2.344 2.980 . 0 0 "[ . 1 . 2]" 1
402 1 11 ALA MB 1 42 TRP HH2 . . 4.330 4.250 4.126 4.388 0.058 14 0 "[ . 1 . 2]" 1
403 1 11 ALA MB 1 42 TRP HZ2 . . 2.830 2.398 2.175 2.561 . 0 0 "[ . 1 . 2]" 1
404 1 12 LEU H 1 12 LEU HB2 . . 3.070 2.697 2.550 2.798 . 0 0 "[ . 1 . 2]" 1
405 1 12 LEU H 1 12 LEU HB3 . . 3.660 3.649 3.564 3.675 0.015 16 0 "[ . 1 . 2]" 1
406 1 12 LEU H 1 12 LEU MD2 . . 3.390 2.927 2.561 3.312 . 0 0 "[ . 1 . 2]" 1
407 1 12 LEU H 1 12 LEU HG . . 2.870 2.166 1.926 2.275 . 0 0 "[ . 1 . 2]" 1
408 1 12 LEU H 1 13 ASN QB . . 4.810 4.766 4.519 4.864 0.054 20 0 "[ . 1 . 2]" 1
409 1 12 LEU H 1 14 GLN H . . 4.310 4.306 4.133 4.364 0.054 17 0 "[ . 1 . 2]" 1
410 1 12 LEU H 1 16 ILE H . . 4.400 4.293 4.172 4.361 . 0 0 "[ . 1 . 2]" 1
411 1 12 LEU H 1 16 ILE MG . . 5.230 5.087 4.991 5.184 . 0 0 "[ . 1 . 2]" 1
412 1 12 LEU H 1 18 LEU MD1 . . 4.930 4.750 4.075 5.000 0.070 1 0 "[ . 1 . 2]" 1
413 1 12 LEU HA 1 12 LEU MD2 . . 2.950 2.279 2.065 2.444 . 0 0 "[ . 1 . 2]" 1
414 1 12 LEU HA 1 12 LEU HG . . 4.040 3.357 3.183 3.531 . 0 0 "[ . 1 . 2]" 1
415 1 12 LEU HA 1 13 ASN HA . . 4.840 4.822 4.762 4.882 0.042 6 0 "[ . 1 . 2]" 1
416 1 12 LEU HA 1 14 GLN H . . 4.350 4.324 4.089 4.407 0.057 5 0 "[ . 1 . 2]" 1
417 1 12 LEU HA 1 15 GLY H . . 3.870 3.484 3.343 3.725 . 0 0 "[ . 1 . 2]" 1
418 1 12 LEU HA 1 16 ILE H . . 2.990 2.556 2.499 2.673 . 0 0 "[ . 1 . 2]" 1
419 1 12 LEU HA 1 16 ILE HA . . 4.770 4.819 4.760 4.848 0.078 6 0 "[ . 1 . 2]" 1
420 1 12 LEU HA 1 16 ILE HB . . 4.650 4.264 4.105 4.405 . 0 0 "[ . 1 . 2]" 1
421 1 12 LEU HA 1 16 ILE MG . . 4.920 4.971 4.910 5.003 0.083 16 0 "[ . 1 . 2]" 1
422 1 12 LEU HB2 1 12 LEU MD1 . . 3.250 2.346 2.287 2.420 . 0 0 "[ . 1 . 2]" 1
423 1 12 LEU HB2 1 13 ASN H . . 3.310 2.578 2.369 2.704 . 0 0 "[ . 1 . 2]" 1
424 1 12 LEU HB2 1 16 ILE H . . 5.240 5.303 5.255 5.313 0.073 18 0 "[ . 1 . 2]" 1
425 1 12 LEU HB3 1 12 LEU MD2 . . 3.470 2.475 2.349 2.662 . 0 0 "[ . 1 . 2]" 1
426 1 12 LEU HB3 1 13 ASN H . . 3.990 3.739 3.532 3.886 . 0 0 "[ . 1 . 2]" 1
427 1 12 LEU HB3 1 15 GLY H . . 5.290 4.941 4.788 5.167 . 0 0 "[ . 1 . 2]" 1
428 1 12 LEU HB3 1 15 GLY HA2 . . 5.500 5.258 4.933 5.540 0.040 3 0 "[ . 1 . 2]" 1
429 1 12 LEU HB3 1 16 ILE H . . 4.900 4.886 4.799 4.948 0.048 5 0 "[ . 1 . 2]" 1
430 1 12 LEU MD1 1 13 ASN H . . 5.190 4.506 4.363 4.668 . 0 0 "[ . 1 . 2]" 1
431 1 12 LEU MD2 1 13 ASN H . . 4.800 4.647 4.482 4.767 . 0 0 "[ . 1 . 2]" 1
432 1 12 LEU MD2 1 16 ILE H . . 4.230 3.981 3.777 4.119 . 0 0 "[ . 1 . 2]" 1
433 1 12 LEU MD2 1 16 ILE HB . . 4.680 4.732 4.524 4.782 0.102 6 0 "[ . 1 . 2]" 1
434 1 12 LEU MD2 1 17 THR HB . . 4.830 4.640 4.366 4.912 0.082 18 0 "[ . 1 . 2]" 1
435 1 12 LEU MD2 1 17 THR MG . . 3.700 3.329 2.903 3.714 0.014 11 0 "[ . 1 . 2]" 1
436 1 12 LEU MD2 1 18 LEU H . . 3.810 3.075 2.706 3.566 . 0 0 "[ . 1 . 2]" 1
437 1 12 LEU HG 1 13 ASN H . . 4.320 4.189 3.924 4.370 0.050 12 0 "[ . 1 . 2]" 1
438 1 12 LEU HG 1 18 LEU H . . 5.080 4.763 4.225 5.085 0.005 14 0 "[ . 1 . 2]" 1
439 1 12 LEU HG 1 18 LEU HB2 . . 5.500 5.450 4.949 5.567 0.067 19 0 "[ . 1 . 2]" 1
440 1 13 ASN H 1 13 ASN QB . . 2.710 2.358 2.147 2.497 . 0 0 "[ . 1 . 2]" 1
441 1 13 ASN H 1 13 ASN HD21 . . 4.710 3.152 2.396 4.274 . 0 0 "[ . 1 . 2]" 1
442 1 13 ASN H 1 13 ASN QD . . 3.890 3.026 2.376 3.906 0.016 9 0 "[ . 1 . 2]" 1
443 1 13 ASN H 1 13 ASN HD22 . . 4.710 4.177 3.837 4.724 0.014 6 0 "[ . 1 . 2]" 1
444 1 13 ASN H 1 14 GLN H . . 3.200 2.747 2.659 2.807 . 0 0 "[ . 1 . 2]" 1
445 1 13 ASN H 1 15 GLY H . . 4.200 3.979 3.846 4.142 . 0 0 "[ . 1 . 2]" 1
446 1 13 ASN H 1 16 ILE H . . 4.650 4.686 4.626 4.717 0.067 10 0 "[ . 1 . 2]" 1
447 1 13 ASN HA 1 15 GLY H . . 3.690 3.641 3.494 3.748 0.058 1 0 "[ . 1 . 2]" 1
448 1 13 ASN QB 1 14 GLN H . . 3.360 2.780 2.517 3.023 . 0 0 "[ . 1 . 2]" 1
449 1 13 ASN QB 1 14 GLN HE22 . . 3.490 3.251 2.590 3.555 0.065 4 0 "[ . 1 . 2]" 1
450 1 13 ASN HB2 1 15 GLY H . . 5.500 4.924 4.712 5.119 . 0 0 "[ . 1 . 2]" 1
451 1 13 ASN HB3 1 15 GLY H . . 5.500 5.000 4.866 5.169 . 0 0 "[ . 1 . 2]" 1
452 1 14 GLN H 1 14 GLN HB2 . . 3.240 2.251 2.159 2.341 . 0 0 "[ . 1 . 2]" 1
453 1 14 GLN H 1 14 GLN HB3 . . 3.530 3.526 3.437 3.583 0.053 9 0 "[ . 1 . 2]" 1
454 1 14 GLN H 1 14 GLN HE21 . . 4.090 3.717 2.682 4.070 . 0 0 "[ . 1 . 2]" 1
455 1 14 GLN H 1 14 GLN HE22 . . 4.730 3.922 3.684 4.268 . 0 0 "[ . 1 . 2]" 1
456 1 14 GLN H 1 14 GLN HG3 . . 4.500 4.091 3.927 4.243 . 0 0 "[ . 1 . 2]" 1
457 1 14 GLN H 1 15 GLY H . . 3.090 2.657 2.450 2.838 . 0 0 "[ . 1 . 2]" 1
458 1 14 GLN H 1 15 GLY HA2 . . 4.970 4.898 4.691 5.001 0.031 13 0 "[ . 1 . 2]" 1
459 1 14 GLN H 1 15 GLY HA3 . . 5.390 5.269 5.082 5.385 . 0 0 "[ . 1 . 2]" 1
460 1 14 GLN H 1 16 ILE H . . 3.780 3.746 3.558 3.851 0.071 6 0 "[ . 1 . 2]" 1
461 1 14 GLN H 1 16 ILE MD . . 4.190 3.785 3.655 3.976 . 0 0 "[ . 1 . 2]" 1
462 1 14 GLN HA 1 14 GLN HE21 . . 4.630 4.611 3.976 4.700 0.070 9 0 "[ . 1 . 2]" 1
463 1 14 GLN HA 1 14 GLN HE22 . . 5.170 4.928 4.604 5.240 0.070 11 0 "[ . 1 . 2]" 1
464 1 14 GLN HA 1 14 GLN HG3 . . 3.510 2.309 2.124 2.420 . 0 0 "[ . 1 . 2]" 1
465 1 14 GLN HA 1 15 GLY H . . 3.250 3.249 3.050 3.304 0.054 4 0 "[ . 1 . 2]" 1
466 1 14 GLN HA 1 15 GLY HA3 . . 4.440 4.482 4.400 4.497 0.057 16 0 "[ . 1 . 2]" 1
467 1 14 GLN HB2 1 14 GLN HE21 . . 4.230 2.696 2.144 2.921 . 0 0 "[ . 1 . 2]" 1
468 1 14 GLN HB2 1 14 GLN HE22 . . 4.320 3.811 3.564 3.967 . 0 0 "[ . 1 . 2]" 1
469 1 14 GLN HB2 1 15 GLY H . . 4.080 3.898 3.689 4.104 0.024 11 0 "[ . 1 . 2]" 1
470 1 14 GLN HB2 1 16 ILE H . . 4.530 4.257 4.011 4.444 . 0 0 "[ . 1 . 2]" 1
471 1 14 GLN HB2 1 16 ILE MD . . 3.860 2.290 2.194 2.398 . 0 0 "[ . 1 . 2]" 1
472 1 14 GLN HB3 1 15 GLY H . . 4.450 4.234 4.070 4.418 . 0 0 "[ . 1 . 2]" 1
473 1 14 GLN HB3 1 16 ILE H . . 5.110 4.737 4.496 4.956 . 0 0 "[ . 1 . 2]" 1
474 1 14 GLN HB3 1 16 ILE MD . . 3.660 2.216 1.984 2.507 . 0 0 "[ . 1 . 2]" 1
475 1 14 GLN HB3 1 38 LEU MD1 . . 4.990 4.897 4.639 5.056 0.066 4 0 "[ . 1 . 2]" 1
476 1 14 GLN HE21 1 16 ILE MD . . 4.750 4.189 3.986 4.315 . 0 0 "[ . 1 . 2]" 1
477 1 14 GLN HE21 1 38 LEU MD1 . . 3.600 2.740 2.130 3.400 . 0 0 "[ . 1 . 2]" 1
478 1 14 GLN HE22 1 14 GLN HG2 . . 3.710 3.567 3.490 3.688 . 0 0 "[ . 1 . 2]" 1
479 1 14 GLN HE22 1 16 ILE MD . . 5.390 5.424 5.089 5.477 0.087 13 0 "[ . 1 . 2]" 1
480 1 14 GLN HE22 1 38 LEU MD1 . . 4.060 3.757 2.645 4.128 0.068 7 0 "[ . 1 . 2]" 1
481 1 14 GLN HE22 1 38 LEU MD2 . . 4.700 4.363 3.475 4.771 0.071 4 0 "[ . 1 . 2]" 1
482 1 14 GLN HG2 1 16 ILE MD . . 4.780 3.626 3.343 3.897 . 0 0 "[ . 1 . 2]" 1
483 1 14 GLN HG2 1 35 PRO HD2 . . 4.410 3.548 2.877 4.468 0.058 4 0 "[ . 1 . 2]" 1
484 1 14 GLN HG2 1 35 PRO HD3 . . 4.380 3.141 2.581 4.173 . 0 0 "[ . 1 . 2]" 1
485 1 14 GLN HG2 1 35 PRO HG3 . . 3.750 2.492 2.155 3.598 . 0 0 "[ . 1 . 2]" 1
486 1 14 GLN HG2 1 38 LEU MD1 . . 4.050 3.854 3.506 4.152 0.102 4 0 "[ . 1 . 2]" 1
487 1 14 GLN HG3 1 16 ILE MD . . 4.610 4.230 3.913 4.584 . 0 0 "[ . 1 . 2]" 1
488 1 15 GLY H 1 15 GLY HA2 . . 2.930 2.285 2.247 2.335 . 0 0 "[ . 1 . 2]" 1
489 1 15 GLY H 1 15 GLY HA3 . . 2.930 2.895 2.823 2.945 0.015 4 0 "[ . 1 . 2]" 1
490 1 15 GLY H 1 16 ILE H . . 3.110 2.499 2.357 2.703 . 0 0 "[ . 1 . 2]" 1
491 1 15 GLY H 1 16 ILE HB . . 5.090 4.540 4.381 4.889 . 0 0 "[ . 1 . 2]" 1
492 1 15 GLY H 1 16 ILE MD . . 4.740 4.226 4.109 4.328 . 0 0 "[ . 1 . 2]" 1
493 1 15 GLY H 1 16 ILE QG . . 4.970 4.335 4.159 4.631 . 0 0 "[ . 1 . 2]" 1
494 1 15 GLY HA2 1 16 ILE HA . . 4.420 4.463 4.396 4.486 0.066 20 0 "[ . 1 . 2]" 1
495 1 15 GLY HA2 1 16 ILE MD . . 5.070 5.141 5.021 5.159 0.089 16 0 "[ . 1 . 2]" 1
496 1 15 GLY HA3 1 16 ILE HA . . 5.500 4.635 4.564 4.708 . 0 0 "[ . 1 . 2]" 1
497 1 15 GLY HA3 1 16 ILE MD . . 4.720 4.677 4.467 4.788 0.068 6 0 "[ . 1 . 2]" 1
498 1 15 GLY HA3 1 31 ARG QG . . 5.500 5.298 4.892 5.570 0.070 10 0 "[ . 1 . 2]" 1
499 1 16 ILE H 1 16 ILE HB . . 3.190 2.536 2.397 2.721 . 0 0 "[ . 1 . 2]" 1
500 1 16 ILE H 1 16 ILE MD . . 3.640 3.448 3.286 3.584 . 0 0 "[ . 1 . 2]" 1
501 1 16 ILE H 1 16 ILE QG . . 3.480 3.085 2.986 3.236 . 0 0 "[ . 1 . 2]" 1
502 1 16 ILE H 1 16 ILE MG . . 3.940 3.831 3.752 3.880 . 0 0 "[ . 1 . 2]" 1
503 1 16 ILE H 1 17 THR H . . 4.460 4.359 4.198 4.476 0.016 18 0 "[ . 1 . 2]" 1
504 1 16 ILE H 1 29 THR HB . . 5.230 4.915 4.695 5.230 . 0 0 "[ . 1 . 2]" 1
505 1 16 ILE H 1 38 LEU MD2 . . 5.470 4.950 4.648 5.324 . 0 0 "[ . 1 . 2]" 1
506 1 16 ILE HA 1 16 ILE MD . . 3.910 3.888 3.786 3.933 0.023 13 0 "[ . 1 . 2]" 1
507 1 16 ILE HA 1 16 ILE MG . . 3.280 2.558 2.354 2.665 . 0 0 "[ . 1 . 2]" 1
508 1 16 ILE HA 1 17 THR H . . 2.850 2.252 2.117 2.491 . 0 0 "[ . 1 . 2]" 1
509 1 16 ILE HA 1 17 THR HA . . 5.500 4.478 4.382 4.566 . 0 0 "[ . 1 . 2]" 1
510 1 16 ILE HA 1 17 THR HB . . 4.550 4.372 4.263 4.502 . 0 0 "[ . 1 . 2]" 1
511 1 16 ILE HA 1 17 THR MG . . 5.500 5.413 5.345 5.458 . 0 0 "[ . 1 . 2]" 1
512 1 16 ILE HA 1 28 LYS H . . 4.540 4.437 4.206 4.607 0.067 6 0 "[ . 1 . 2]" 1
513 1 16 ILE HA 1 28 LYS QB . . 5.360 4.751 4.535 4.890 . 0 0 "[ . 1 . 2]" 1
514 1 16 ILE HA 1 29 THR H . . 5.180 4.987 4.810 5.123 . 0 0 "[ . 1 . 2]" 1
515 1 16 ILE HA 1 29 THR HA . . 4.120 2.979 2.612 3.394 . 0 0 "[ . 1 . 2]" 1
516 1 16 ILE HA 1 29 THR HB . . 3.760 2.302 2.035 2.709 . 0 0 "[ . 1 . 2]" 1
517 1 16 ILE HA 1 29 THR MG . . 4.130 3.945 3.743 4.210 0.080 6 0 "[ . 1 . 2]" 1
518 1 16 ILE HB 1 16 ILE MD . . 3.190 2.172 2.057 2.226 . 0 0 "[ . 1 . 2]" 1
519 1 16 ILE HB 1 17 THR H . . 4.420 4.061 3.686 4.323 . 0 0 "[ . 1 . 2]" 1
520 1 16 ILE HB 1 27 TYR HB2 . . 5.390 5.133 4.844 5.320 . 0 0 "[ . 1 . 2]" 1
521 1 16 ILE HB 1 29 THR HB . . 4.770 4.266 4.027 4.534 . 0 0 "[ . 1 . 2]" 1
522 1 16 ILE HB 1 38 LEU MD1 . . 5.500 5.477 5.177 5.584 0.084 13 0 "[ . 1 . 2]" 1
523 1 16 ILE HB 1 38 LEU HG . . 5.500 5.230 4.970 5.539 0.039 1 0 "[ . 1 . 2]" 1
524 1 16 ILE HB 1 42 TRP HH2 . . 5.400 4.410 4.123 4.543 . 0 0 "[ . 1 . 2]" 1
525 1 16 ILE HB 1 42 TRP HZ2 . . 3.740 3.582 3.380 3.793 0.053 19 0 "[ . 1 . 2]" 1
526 1 16 ILE MD 1 16 ILE MG . . 2.770 2.405 2.267 2.666 . 0 0 "[ . 1 . 2]" 1
527 1 16 ILE MD 1 17 THR H . . 5.330 5.182 4.890 5.378 0.048 14 0 "[ . 1 . 2]" 1
528 1 16 ILE MD 1 27 TYR QD . . 4.710 4.485 3.919 4.771 0.061 5 0 "[ . 1 . 2]" 1
529 1 16 ILE MD 1 29 THR HB . . 4.160 3.880 3.774 4.048 . 0 0 "[ . 1 . 2]" 1
530 1 16 ILE MD 1 29 THR MG . . 4.110 3.754 3.377 4.158 0.048 8 0 "[ . 1 . 2]" 1
531 1 16 ILE MD 1 31 ARG QD . . 3.980 3.585 3.018 4.060 0.080 14 0 "[ . 1 . 2]" 1
532 1 16 ILE MD 1 31 ARG QG . . 4.640 3.927 3.561 4.181 . 0 0 "[ . 1 . 2]" 1
533 1 16 ILE MD 1 34 ILE HA . . 4.170 3.387 2.955 3.636 . 0 0 "[ . 1 . 2]" 1
534 1 16 ILE MD 1 34 ILE HG12 . . 4.370 3.853 3.519 4.191 . 0 0 "[ . 1 . 2]" 1
535 1 16 ILE MD 1 34 ILE MG . . 3.380 2.188 2.071 2.360 . 0 0 "[ . 1 . 2]" 1
536 1 16 ILE MD 1 35 PRO HD2 . . 4.170 2.751 2.499 3.069 . 0 0 "[ . 1 . 2]" 1
537 1 16 ILE MD 1 35 PRO HD3 . . 4.140 3.708 3.389 4.067 . 0 0 "[ . 1 . 2]" 1
538 1 16 ILE MD 1 38 LEU MD2 . . 3.680 1.904 1.842 1.968 . 0 0 "[ . 1 . 2]" 1
539 1 16 ILE MD 1 42 TRP HE1 . . 5.500 5.453 5.247 5.578 0.078 17 0 "[ . 1 . 2]" 1
540 1 16 ILE MD 1 42 TRP HH2 . . 3.290 3.016 2.676 3.339 0.049 8 0 "[ . 1 . 2]" 1
541 1 16 ILE MD 1 42 TRP HZ2 . . 3.620 3.284 3.025 3.525 . 0 0 "[ . 1 . 2]" 1
542 1 16 ILE MD 1 42 TRP HZ3 . . 5.250 5.046 4.758 5.298 0.048 8 0 "[ . 1 . 2]" 1
543 1 16 ILE QG 1 16 ILE MG . . 3.280 2.183 2.039 2.224 . 0 0 "[ . 1 . 2]" 1
544 1 16 ILE QG 1 17 THR H . . 4.200 4.128 3.910 4.262 0.062 3 0 "[ . 1 . 2]" 1
545 1 16 ILE QG 1 29 THR HB . . 4.320 2.136 2.031 2.297 . 0 0 "[ . 1 . 2]" 1
546 1 16 ILE QG 1 29 THR MG . . 4.440 2.634 2.262 3.070 . 0 0 "[ . 1 . 2]" 1
547 1 16 ILE QG 1 31 ARG HD2 . . 4.880 4.191 3.563 4.934 0.054 14 0 "[ . 1 . 2]" 1
548 1 16 ILE QG 1 31 ARG QD . . 4.280 3.125 2.786 3.459 . 0 0 "[ . 1 . 2]" 1
549 1 16 ILE QG 1 31 ARG HD3 . . 4.880 3.232 2.873 3.576 . 0 0 "[ . 1 . 2]" 1
550 1 16 ILE QG 1 34 ILE MG . . 4.140 2.276 2.096 2.568 . 0 0 "[ . 1 . 2]" 1
551 1 16 ILE QG 1 42 TRP HZ2 . . 4.490 4.471 4.245 4.550 0.060 3 0 "[ . 1 . 2]" 1
552 1 16 ILE MG 1 17 THR H . . 3.120 2.555 2.074 2.891 . 0 0 "[ . 1 . 2]" 1
553 1 16 ILE MG 1 17 THR HA . . 4.350 3.889 3.678 4.049 . 0 0 "[ . 1 . 2]" 1
554 1 16 ILE MG 1 17 THR HB . . 4.660 4.405 4.242 4.649 . 0 0 "[ . 1 . 2]" 1
555 1 16 ILE MG 1 17 THR MG . . 4.710 4.753 4.647 4.827 0.117 8 0 "[ . 1 . 2]" 1
556 1 16 ILE MG 1 18 LEU H . . 4.150 4.065 3.754 4.222 0.072 20 0 "[ . 1 . 2]" 1
557 1 16 ILE MG 1 18 LEU HA . . 4.760 3.871 3.674 3.978 . 0 0 "[ . 1 . 2]" 1
558 1 16 ILE MG 1 18 LEU HB2 . . 4.920 4.895 4.626 4.989 0.069 17 0 "[ . 1 . 2]" 1
559 1 16 ILE MG 1 18 LEU HB3 . . 5.500 5.312 5.122 5.413 . 0 0 "[ . 1 . 2]" 1
560 1 16 ILE MG 1 18 LEU MD1 . . 4.110 4.066 3.552 4.206 0.096 1 0 "[ . 1 . 2]" 1
561 1 16 ILE MG 1 18 LEU MD2 . . 3.310 3.187 3.023 3.401 0.091 1 0 "[ . 1 . 2]" 1
562 1 16 ILE MG 1 27 TYR H . . 5.500 5.479 5.315 5.581 0.081 17 0 "[ . 1 . 2]" 1
563 1 16 ILE MG 1 27 TYR HA . . 3.870 3.660 3.509 3.761 . 0 0 "[ . 1 . 2]" 1
564 1 16 ILE MG 1 27 TYR HB2 . . 3.450 2.476 2.268 2.593 . 0 0 "[ . 1 . 2]" 1
565 1 16 ILE MG 1 27 TYR HB3 . . 3.830 3.809 3.581 3.910 0.080 6 0 "[ . 1 . 2]" 1
566 1 16 ILE MG 1 27 TYR QD . . 3.570 2.420 2.074 2.710 . 0 0 "[ . 1 . 2]" 1
567 1 16 ILE MG 1 27 TYR QE . . 4.410 4.148 3.717 4.475 0.065 12 0 "[ . 1 . 2]" 1
568 1 16 ILE MG 1 28 LYS H . . 3.640 2.863 2.658 3.049 . 0 0 "[ . 1 . 2]" 1
569 1 16 ILE MG 1 28 LYS HA . . 5.370 4.511 4.327 4.631 . 0 0 "[ . 1 . 2]" 1
570 1 16 ILE MG 1 28 LYS QB . . 4.500 4.341 4.164 4.467 . 0 0 "[ . 1 . 2]" 1
571 1 16 ILE MG 1 29 THR H . . 4.840 4.737 4.489 4.906 0.066 9 0 "[ . 1 . 2]" 1
572 1 16 ILE MG 1 29 THR HB . . 3.490 2.561 2.384 2.903 . 0 0 "[ . 1 . 2]" 1
573 1 16 ILE MG 1 29 THR MG . . 3.490 3.038 2.689 3.318 . 0 0 "[ . 1 . 2]" 1
574 1 16 ILE MG 1 34 ILE MG . . 3.760 3.573 3.290 3.819 0.059 14 0 "[ . 1 . 2]" 1
575 1 16 ILE MG 1 35 PRO HD2 . . 5.500 5.351 5.046 5.584 0.084 13 0 "[ . 1 . 2]" 1
576 1 16 ILE MG 1 38 LEU MD2 . . 4.260 2.875 2.647 3.012 . 0 0 "[ . 1 . 2]" 1
577 1 16 ILE MG 1 38 LEU HG . . 4.450 4.461 4.274 4.525 0.075 9 0 "[ . 1 . 2]" 1
578 1 16 ILE MG 1 42 TRP HE1 . . 4.670 4.554 4.376 4.674 0.004 19 0 "[ . 1 . 2]" 1
579 1 16 ILE MG 1 42 TRP HE3 . . 5.500 5.466 5.292 5.553 0.053 10 0 "[ . 1 . 2]" 1
580 1 16 ILE MG 1 42 TRP HH2 . . 3.060 2.111 1.971 2.204 . 0 0 "[ . 1 . 2]" 1
581 1 16 ILE MG 1 42 TRP HZ2 . . 2.960 2.246 2.134 2.488 . 0 0 "[ . 1 . 2]" 1
582 1 16 ILE MG 1 42 TRP HZ3 . . 4.170 4.144 3.924 4.236 0.066 4 0 "[ . 1 . 2]" 1
583 1 17 THR H 1 17 THR HB . . 3.030 2.428 2.245 2.730 . 0 0 "[ . 1 . 2]" 1
584 1 17 THR H 1 17 THR MG . . 3.850 3.736 3.610 3.845 . 0 0 "[ . 1 . 2]" 1
585 1 17 THR H 1 18 LEU H . . 4.400 4.320 3.965 4.455 0.055 8 0 "[ . 1 . 2]" 1
586 1 17 THR H 1 18 LEU MD2 . . 5.500 5.301 4.780 5.569 0.069 14 0 "[ . 1 . 2]" 1
587 1 17 THR H 1 27 TYR HA . . 4.920 4.694 4.108 4.977 0.057 3 0 "[ . 1 . 2]" 1
588 1 17 THR H 1 27 TYR HB2 . . 5.070 4.732 4.058 5.128 0.058 4 0 "[ . 1 . 2]" 1
589 1 17 THR H 1 27 TYR QD . . 5.040 4.760 3.962 5.112 0.072 20 0 "[ . 1 . 2]" 1
590 1 17 THR H 1 28 LYS H . . 3.620 2.850 2.514 3.129 . 0 0 "[ . 1 . 2]" 1
591 1 17 THR H 1 28 LYS QB . . 4.080 3.322 3.039 3.512 . 0 0 "[ . 1 . 2]" 1
592 1 17 THR H 1 28 LYS QG . . 5.290 5.258 4.955 5.366 0.076 13 0 "[ . 1 . 2]" 1
593 1 17 THR H 1 29 THR HA . . 3.960 3.762 3.352 4.018 0.058 13 0 "[ . 1 . 2]" 1
594 1 17 THR H 1 29 THR HB . . 4.060 3.588 3.300 4.041 . 0 0 "[ . 1 . 2]" 1
595 1 17 THR H 1 29 THR MG . . 4.720 4.580 4.088 4.801 0.081 5 0 "[ . 1 . 2]" 1
596 1 17 THR HA 1 17 THR MG . . 3.190 2.476 2.365 2.678 . 0 0 "[ . 1 . 2]" 1
597 1 17 THR HA 1 18 LEU H . . 2.730 2.219 2.145 2.300 . 0 0 "[ . 1 . 2]" 1
598 1 17 THR HA 1 18 LEU HB2 . . 4.640 4.520 4.329 4.614 . 0 0 "[ . 1 . 2]" 1
599 1 17 THR HA 1 18 LEU MD1 . . 5.500 5.346 4.516 5.565 0.065 15 0 "[ . 1 . 2]" 1
600 1 17 THR HA 1 18 LEU MD2 . . 5.500 5.369 5.286 5.453 . 0 0 "[ . 1 . 2]" 1
601 1 17 THR HA 1 18 LEU HG . . 5.040 4.545 4.145 4.761 . 0 0 "[ . 1 . 2]" 1
602 1 17 THR HA 1 28 LYS H . . 4.880 4.701 4.467 4.775 . 0 0 "[ . 1 . 2]" 1
603 1 17 THR HB 1 18 LEU H . . 4.600 4.406 4.340 4.551 . 0 0 "[ . 1 . 2]" 1
604 1 17 THR HB 1 19 PHE QD . . 5.040 4.192 3.701 4.777 . 0 0 "[ . 1 . 2]" 1
605 1 17 THR HB 1 28 LYS H . . 3.850 3.430 3.169 3.838 . 0 0 "[ . 1 . 2]" 1
606 1 17 THR HB 1 28 LYS QB . . 3.820 2.251 2.046 2.529 . 0 0 "[ . 1 . 2]" 1
607 1 17 THR HB 1 28 LYS QD . . 5.340 4.899 4.297 5.329 . 0 0 "[ . 1 . 2]" 1
608 1 17 THR HB 1 28 LYS HE2 . . 4.990 4.701 3.382 5.056 0.066 3 0 "[ . 1 . 2]" 1
609 1 17 THR HB 1 28 LYS QE . . 4.390 3.647 2.789 4.115 . 0 0 "[ . 1 . 2]" 1
610 1 17 THR HB 1 28 LYS HE3 . . 4.990 3.931 2.865 5.038 0.048 19 0 "[ . 1 . 2]" 1
611 1 17 THR HB 1 28 LYS QG . . 4.290 4.138 3.920 4.355 0.065 1 0 "[ . 1 . 2]" 1
612 1 17 THR HB 1 29 THR H . . 5.500 5.291 4.898 5.548 0.048 11 0 "[ . 1 . 2]" 1
613 1 17 THR MG 1 18 LEU H . . 3.290 2.964 2.706 3.182 . 0 0 "[ . 1 . 2]" 1
614 1 17 THR MG 1 18 LEU HA . . 4.700 3.948 3.842 4.077 . 0 0 "[ . 1 . 2]" 1
615 1 17 THR MG 1 18 LEU HB2 . . 4.680 4.679 4.432 4.751 0.071 7 0 "[ . 1 . 2]" 1
616 1 17 THR MG 1 18 LEU HB3 . . 5.180 5.239 5.093 5.277 0.097 19 0 "[ . 1 . 2]" 1
617 1 17 THR MG 1 18 LEU MD2 . . 5.180 5.187 5.060 5.268 0.088 1 0 "[ . 1 . 2]" 1
618 1 17 THR MG 1 19 PHE H . . 4.780 4.170 3.870 4.394 . 0 0 "[ . 1 . 2]" 1
619 1 17 THR MG 1 19 PHE HA . . 4.880 4.369 4.159 4.608 . 0 0 "[ . 1 . 2]" 1
620 1 17 THR MG 1 19 PHE HB3 . . 3.740 2.647 2.357 2.898 . 0 0 "[ . 1 . 2]" 1
621 1 17 THR MG 1 19 PHE QD . . 3.660 3.061 2.808 3.379 . 0 0 "[ . 1 . 2]" 1
622 1 17 THR MG 1 19 PHE QE . . 4.970 4.866 4.546 5.064 0.094 9 0 "[ . 1 . 2]" 1
623 1 17 THR MG 1 27 TYR HA . . 4.740 4.640 4.507 4.794 0.054 9 0 "[ . 1 . 2]" 1
624 1 17 THR MG 1 28 LYS H . . 4.020 4.022 3.874 4.095 0.075 15 0 "[ . 1 . 2]" 1
625 1 17 THR MG 1 28 LYS QB . . 3.810 2.941 2.514 3.142 . 0 0 "[ . 1 . 2]" 1
626 1 17 THR MG 1 28 LYS HE2 . . 4.630 4.296 3.115 4.677 0.047 13 0 "[ . 1 . 2]" 1
627 1 17 THR MG 1 28 LYS QE . . 3.980 3.695 3.063 4.048 0.068 5 0 "[ . 1 . 2]" 1
628 1 17 THR MG 1 28 LYS HE3 . . 4.630 4.142 3.264 4.650 0.020 8 0 "[ . 1 . 2]" 1
629 1 17 THR MG 1 28 LYS QG . . 4.010 3.998 3.215 4.112 0.102 4 0 "[ . 1 . 2]" 1
630 1 18 LEU H 1 18 LEU HB2 . . 3.300 2.359 2.228 2.427 . 0 0 "[ . 1 . 2]" 1
631 1 18 LEU H 1 18 LEU HB3 . . 4.090 3.602 3.519 3.667 . 0 0 "[ . 1 . 2]" 1
632 1 18 LEU H 1 18 LEU MD1 . . 4.080 3.847 3.362 4.088 0.008 8 0 "[ . 1 . 2]" 1
633 1 18 LEU H 1 18 LEU MD2 . . 4.040 4.077 3.932 4.129 0.089 12 0 "[ . 1 . 2]" 1
634 1 18 LEU H 1 18 LEU HG . . 3.200 3.119 2.866 3.259 0.059 13 0 "[ . 1 . 2]" 1
635 1 18 LEU H 1 19 PHE H . . 4.620 4.468 4.348 4.570 . 0 0 "[ . 1 . 2]" 1
636 1 18 LEU H 1 19 PHE QD . . 5.490 5.220 4.964 5.519 0.029 11 0 "[ . 1 . 2]" 1
637 1 18 LEU H 1 25 LEU QD . . 5.440 5.363 5.263 5.499 0.059 11 0 "[ . 1 . 2]" 1
638 1 18 LEU H 1 27 TYR HA . . 4.860 4.809 4.617 4.920 0.060 9 0 "[ . 1 . 2]" 1
639 1 18 LEU H 1 28 LYS H . . 5.170 4.893 4.646 4.999 . 0 0 "[ . 1 . 2]" 1
640 1 18 LEU H 1 53 LEU MD1 . . 5.090 4.565 4.372 4.860 . 0 0 "[ . 1 . 2]" 1
641 1 18 LEU HA 1 18 LEU MD1 . . 4.420 3.845 3.744 3.879 . 0 0 "[ . 1 . 2]" 1
642 1 18 LEU HA 1 18 LEU MD2 . . 3.440 2.142 2.046 2.243 . 0 0 "[ . 1 . 2]" 1
643 1 18 LEU HA 1 19 PHE H . . 2.900 2.196 2.140 2.236 . 0 0 "[ . 1 . 2]" 1
644 1 18 LEU HA 1 19 PHE HB3 . . 4.460 4.424 4.289 4.506 0.046 10 0 "[ . 1 . 2]" 1
645 1 18 LEU HA 1 27 TYR H . . 5.310 4.862 4.683 4.976 . 0 0 "[ . 1 . 2]" 1
646 1 18 LEU HA 1 27 TYR HA . . 3.810 2.238 2.090 2.355 . 0 0 "[ . 1 . 2]" 1
647 1 18 LEU HA 1 27 TYR HB2 . . 4.530 3.650 3.311 3.802 . 0 0 "[ . 1 . 2]" 1
648 1 18 LEU HA 1 27 TYR HB3 . . 4.580 3.836 3.617 4.037 . 0 0 "[ . 1 . 2]" 1
649 1 18 LEU HA 1 53 LEU MD1 . . 4.800 3.904 3.819 4.026 . 0 0 "[ . 1 . 2]" 1
650 1 18 LEU HB2 1 18 LEU MD1 . . 3.480 2.199 2.086 2.258 . 0 0 "[ . 1 . 2]" 1
651 1 18 LEU HB2 1 18 LEU MD2 . . 3.580 3.215 3.155 3.264 . 0 0 "[ . 1 . 2]" 1
652 1 18 LEU HB2 1 19 PHE H . . 4.680 4.306 4.170 4.457 . 0 0 "[ . 1 . 2]" 1
653 1 18 LEU HB2 1 25 LEU QD . . 4.480 3.969 3.825 4.251 . 0 0 "[ . 1 . 2]" 1
654 1 18 LEU HB2 1 27 TYR HA . . 5.330 5.215 5.087 5.318 . 0 0 "[ . 1 . 2]" 1
655 1 18 LEU HB2 1 42 TRP HE1 . . 5.380 5.426 5.139 5.457 0.077 14 0 "[ . 1 . 2]" 1
656 1 18 LEU HB2 1 49 LEU QD . . 4.850 4.033 3.694 4.400 . 0 0 "[ . 1 . 2]" 1
657 1 18 LEU HB2 1 53 LEU MD1 . . 3.950 2.890 2.661 3.305 . 0 0 "[ . 1 . 2]" 1
658 1 18 LEU HB2 1 53 LEU MD2 . . 3.730 2.922 2.585 3.251 . 0 0 "[ . 1 . 2]" 1
659 1 18 LEU HB3 1 18 LEU MD1 . . 3.590 2.522 2.379 2.746 . 0 0 "[ . 1 . 2]" 1
660 1 18 LEU HB3 1 18 LEU MD2 . . 3.220 2.256 2.195 2.405 . 0 0 "[ . 1 . 2]" 1
661 1 18 LEU HB3 1 19 PHE H . . 3.670 3.238 3.015 3.508 . 0 0 "[ . 1 . 2]" 1
662 1 18 LEU HB3 1 20 VAL QG . . 5.440 4.616 4.315 5.087 . 0 0 "[ . 1 . 2]" 1
663 1 18 LEU HB3 1 25 LEU QD . . 3.570 2.602 2.423 2.931 . 0 0 "[ . 1 . 2]" 1
664 1 18 LEU HB3 1 27 TYR HA . . 5.500 4.544 4.319 4.727 . 0 0 "[ . 1 . 2]" 1
665 1 18 LEU HB3 1 27 TYR HB2 . . 5.500 5.495 5.216 5.585 0.085 2 0 "[ . 1 . 2]" 1
666 1 18 LEU HB3 1 49 LEU QD . . 4.730 3.536 3.101 4.038 . 0 0 "[ . 1 . 2]" 1
667 1 18 LEU HB3 1 53 LEU HB3 . . 5.500 5.135 4.732 5.528 0.028 12 0 "[ . 1 . 2]" 1
668 1 18 LEU HB3 1 53 LEU MD1 . . 4.010 2.061 1.988 2.134 . 0 0 "[ . 1 . 2]" 1
669 1 18 LEU MD1 1 19 PHE H . . 5.260 5.043 4.896 5.199 . 0 0 "[ . 1 . 2]" 1
670 1 18 LEU MD1 1 25 LEU QD . . 3.750 2.765 2.571 3.291 . 0 0 "[ . 1 . 2]" 1
671 1 18 LEU MD1 1 25 LEU HG . . 5.350 4.689 4.308 5.145 . 0 0 "[ . 1 . 2]" 1
672 1 18 LEU MD1 1 27 TYR HA . . 5.250 5.158 4.988 5.281 0.031 17 0 "[ . 1 . 2]" 1
673 1 18 LEU MD1 1 27 TYR HB3 . . 5.160 4.827 4.700 4.939 . 0 0 "[ . 1 . 2]" 1
674 1 18 LEU MD1 1 42 TRP HD1 . . 4.090 2.923 2.594 3.509 . 0 0 "[ . 1 . 2]" 1
675 1 18 LEU MD1 1 42 TRP HE1 . . 3.690 2.017 1.895 2.149 . 0 0 "[ . 1 . 2]" 1
676 1 18 LEU MD1 1 42 TRP HH2 . . 5.390 5.403 5.115 5.476 0.086 11 0 "[ . 1 . 2]" 1
677 1 18 LEU MD1 1 42 TRP HZ2 . . 3.690 3.545 3.221 3.701 0.011 20 0 "[ . 1 . 2]" 1
678 1 18 LEU MD1 1 49 LEU HB3 . . 5.450 4.101 3.830 4.639 . 0 0 "[ . 1 . 2]" 1
679 1 18 LEU MD1 1 49 LEU MD1 . . 3.780 2.915 2.656 3.604 . 0 0 "[ . 1 . 2]" 1
680 1 18 LEU MD1 1 49 LEU QD . . 3.160 2.213 2.050 2.763 . 0 0 "[ . 1 . 2]" 1
681 1 18 LEU MD1 1 49 LEU MD2 . . 3.780 2.295 2.127 2.875 . 0 0 "[ . 1 . 2]" 1
682 1 18 LEU MD1 1 53 LEU MD1 . . 3.820 2.965 2.636 3.492 . 0 0 "[ . 1 . 2]" 1
683 1 18 LEU MD1 1 53 LEU MD2 . . 4.430 3.814 3.417 4.402 . 0 0 "[ . 1 . 2]" 1
684 1 18 LEU MD2 1 19 PHE H . . 3.380 3.245 3.127 3.395 0.015 7 0 "[ . 1 . 2]" 1
685 1 18 LEU MD2 1 19 PHE HA . . 5.270 5.242 4.992 5.325 0.055 4 0 "[ . 1 . 2]" 1
686 1 18 LEU MD2 1 25 LEU HA . . 5.500 4.825 4.709 5.009 . 0 0 "[ . 1 . 2]" 1
687 1 18 LEU MD2 1 25 LEU HB3 . . 5.500 5.118 4.961 5.440 . 0 0 "[ . 1 . 2]" 1
688 1 18 LEU MD2 1 25 LEU MD1 . . 3.660 2.193 1.914 2.519 . 0 0 "[ . 1 . 2]" 1
689 1 18 LEU MD2 1 25 LEU QD . . 3.100 2.011 1.894 2.132 . 0 0 "[ . 1 . 2]" 1
690 1 18 LEU MD2 1 25 LEU MD2 . . 3.660 2.533 2.043 3.093 . 0 0 "[ . 1 . 2]" 1
691 1 18 LEU MD2 1 25 LEU HG . . 4.150 3.458 2.931 4.060 . 0 0 "[ . 1 . 2]" 1
692 1 18 LEU MD2 1 26 LYS H . . 4.470 4.208 3.998 4.477 0.007 12 0 "[ . 1 . 2]" 1
693 1 18 LEU MD2 1 26 LYS HB3 . . 5.370 5.250 5.044 5.407 0.037 18 0 "[ . 1 . 2]" 1
694 1 18 LEU MD2 1 27 TYR H . . 4.390 4.319 4.067 4.481 0.091 17 0 "[ . 1 . 2]" 1
695 1 18 LEU MD2 1 27 TYR HA . . 3.530 2.641 2.289 2.917 . 0 0 "[ . 1 . 2]" 1
696 1 18 LEU MD2 1 27 TYR HB2 . . 3.630 2.447 2.310 2.696 . 0 0 "[ . 1 . 2]" 1
697 1 18 LEU MD2 1 27 TYR HB3 . . 3.440 2.247 2.153 2.371 . 0 0 "[ . 1 . 2]" 1
698 1 18 LEU MD2 1 27 TYR QD . . 4.100 3.885 3.768 3.962 . 0 0 "[ . 1 . 2]" 1
699 1 18 LEU MD2 1 27 TYR QE . . 5.500 5.558 5.382 5.606 0.106 1 0 "[ . 1 . 2]" 1
700 1 18 LEU MD2 1 28 LYS H . . 4.480 4.155 3.887 4.389 . 0 0 "[ . 1 . 2]" 1
701 1 18 LEU MD2 1 42 TRP HB3 . . 5.130 3.657 3.430 3.868 . 0 0 "[ . 1 . 2]" 1
702 1 18 LEU MD2 1 42 TRP HD1 . . 5.400 3.407 3.199 3.569 . 0 0 "[ . 1 . 2]" 1
703 1 18 LEU MD2 1 42 TRP HE1 . . 4.700 3.030 2.899 3.132 . 0 0 "[ . 1 . 2]" 1
704 1 18 LEU MD2 1 42 TRP HE3 . . 4.840 3.920 3.739 4.085 . 0 0 "[ . 1 . 2]" 1
705 1 18 LEU MD2 1 42 TRP HH2 . . 4.200 3.937 3.639 4.172 . 0 0 "[ . 1 . 2]" 1
706 1 18 LEU MD2 1 42 TRP HZ2 . . 3.540 3.140 2.782 3.406 . 0 0 "[ . 1 . 2]" 1
707 1 18 LEU MD2 1 42 TRP HZ3 . . 4.480 4.322 4.146 4.463 . 0 0 "[ . 1 . 2]" 1
708 1 18 LEU MD2 1 49 LEU QD . . 4.370 3.126 2.957 3.330 . 0 0 "[ . 1 . 2]" 1
709 1 18 LEU MD2 1 53 LEU MD1 . . 3.990 3.307 3.161 3.482 . 0 0 "[ . 1 . 2]" 1
710 1 18 LEU HG 1 19 PHE H . . 4.950 4.880 4.636 4.985 0.035 5 0 "[ . 1 . 2]" 1
711 1 18 LEU HG 1 27 TYR HA . . 4.300 4.212 3.762 4.363 0.063 19 0 "[ . 1 . 2]" 1
712 1 18 LEU HG 1 27 TYR HB2 . . 4.480 3.893 3.597 4.077 . 0 0 "[ . 1 . 2]" 1
713 1 18 LEU HG 1 27 TYR HB3 . . 4.630 4.439 4.113 4.646 0.016 10 0 "[ . 1 . 2]" 1
714 1 18 LEU HG 1 28 LYS H . . 5.160 5.015 4.456 5.208 0.048 15 0 "[ . 1 . 2]" 1
715 1 18 LEU HG 1 42 TRP HZ2 . . 4.080 3.471 3.300 3.729 . 0 0 "[ . 1 . 2]" 1
716 1 19 PHE H 1 19 PHE HB3 . . 3.490 3.230 3.136 3.374 . 0 0 "[ . 1 . 2]" 1
717 1 19 PHE H 1 19 PHE QD . . 3.290 2.869 2.483 3.102 . 0 0 "[ . 1 . 2]" 1
718 1 19 PHE H 1 20 VAL H . . 4.450 4.275 4.139 4.401 . 0 0 "[ . 1 . 2]" 1
719 1 19 PHE H 1 25 LEU QD . . 3.630 3.262 3.068 3.451 . 0 0 "[ . 1 . 2]" 1
720 1 19 PHE H 1 26 LYS HA . . 5.050 4.868 4.722 5.023 . 0 0 "[ . 1 . 2]" 1
721 1 19 PHE H 1 26 LYS HB3 . . 4.640 3.887 3.559 4.059 . 0 0 "[ . 1 . 2]" 1
722 1 19 PHE H 1 27 TYR HA . . 3.620 2.978 2.843 3.196 . 0 0 "[ . 1 . 2]" 1
723 1 19 PHE H 1 27 TYR HB2 . . 5.360 5.121 4.899 5.294 . 0 0 "[ . 1 . 2]" 1
724 1 19 PHE H 1 27 TYR HB3 . . 4.860 4.767 4.571 4.921 0.061 4 0 "[ . 1 . 2]" 1
725 1 19 PHE H 1 28 LYS H . . 4.630 4.612 4.304 4.696 0.066 9 0 "[ . 1 . 2]" 1
726 1 19 PHE H 1 53 LEU MD1 . . 3.840 3.390 3.077 3.703 . 0 0 "[ . 1 . 2]" 1
727 1 19 PHE H 1 53 LEU MD2 . . 4.470 4.327 4.023 4.543 0.073 10 0 "[ . 1 . 2]" 1
728 1 19 PHE HA 1 20 VAL H . . 3.030 2.421 2.280 2.553 . 0 0 "[ . 1 . 2]" 1
729 1 19 PHE HA 1 20 VAL QG . . 4.620 3.363 3.179 3.505 . 0 0 "[ . 1 . 2]" 1
730 1 19 PHE HA 1 53 LEU MD1 . . 3.690 2.880 2.453 3.256 . 0 0 "[ . 1 . 2]" 1
731 1 19 PHE HA 1 53 LEU MD2 . . 3.950 2.680 2.287 2.931 . 0 0 "[ . 1 . 2]" 1
732 1 19 PHE HB2 1 20 VAL H . . 3.000 3.004 2.666 3.072 0.072 10 0 "[ . 1 . 2]" 1
733 1 19 PHE HB2 1 20 VAL QG . . 4.720 4.553 4.082 4.736 0.016 1 0 "[ . 1 . 2]" 1
734 1 19 PHE HB2 1 53 LEU MD1 . . 5.390 4.930 4.556 5.255 . 0 0 "[ . 1 . 2]" 1
735 1 19 PHE HB2 1 53 LEU MD2 . . 4.720 4.495 4.167 4.721 0.001 18 0 "[ . 1 . 2]" 1
736 1 19 PHE HB3 1 20 VAL QG . . 5.440 5.296 5.014 5.451 0.011 19 0 "[ . 1 . 2]" 1
737 1 19 PHE HB3 1 27 TYR HA . . 5.450 5.159 4.921 5.349 . 0 0 "[ . 1 . 2]" 1
738 1 19 PHE HB3 1 28 LYS H . . 5.500 5.538 5.443 5.562 0.062 10 0 "[ . 1 . 2]" 1
739 1 19 PHE HB3 1 53 LEU MD1 . . 5.500 4.897 4.545 5.236 . 0 0 "[ . 1 . 2]" 1
740 1 19 PHE HB3 1 53 LEU MD2 . . 5.020 4.432 4.087 4.657 . 0 0 "[ . 1 . 2]" 1
741 1 19 PHE QD 1 20 VAL H . . 3.500 3.307 2.978 3.565 0.065 19 0 "[ . 1 . 2]" 1
742 1 19 PHE QD 1 21 SER H . . 4.510 4.583 4.538 4.600 0.090 3 0 "[ . 1 . 2]" 1
743 1 19 PHE QD 1 21 SER HB2 . . 3.920 3.528 2.982 3.965 0.045 13 0 "[ . 1 . 2]" 1
744 1 19 PHE QD 1 26 LYS H . . 4.910 4.740 4.570 4.890 . 0 0 "[ . 1 . 2]" 1
745 1 19 PHE QD 1 27 TYR HA . . 3.760 3.312 2.960 3.628 . 0 0 "[ . 1 . 2]" 1
746 1 19 PHE QD 1 28 LYS QE . . 4.410 4.414 3.764 4.507 0.097 11 0 "[ . 1 . 2]" 1
747 1 19 PHE QE 1 21 SER HB2 . . 3.890 2.204 2.019 2.433 . 0 0 "[ . 1 . 2]" 1
748 1 19 PHE QE 1 21 SER HB3 . . 4.200 3.736 3.417 3.886 . 0 0 "[ . 1 . 2]" 1
749 1 19 PHE QE 1 26 LYS HB3 . . 4.740 2.793 2.532 3.035 . 0 0 "[ . 1 . 2]" 1
750 1 19 PHE QE 1 26 LYS HD3 . . 4.820 4.814 4.420 4.898 0.078 13 0 "[ . 1 . 2]" 1
751 1 19 PHE QE 1 26 LYS HG2 . . 4.710 3.576 3.074 3.954 . 0 0 "[ . 1 . 2]" 1
752 1 19 PHE QE 1 27 TYR H . . 4.100 3.513 3.043 4.136 0.036 4 0 "[ . 1 . 2]" 1
753 1 19 PHE QE 1 28 LYS H . . 4.380 4.095 3.583 4.442 0.062 9 0 "[ . 1 . 2]" 1
754 1 19 PHE QE 1 28 LYS QB . . 4.160 3.167 2.169 3.976 . 0 0 "[ . 1 . 2]" 1
755 1 19 PHE QE 1 28 LYS HD2 . . 5.500 4.718 4.380 5.047 . 0 0 "[ . 1 . 2]" 1
756 1 19 PHE QE 1 28 LYS QD . . 4.790 3.879 3.332 4.416 . 0 0 "[ . 1 . 2]" 1
757 1 19 PHE QE 1 28 LYS HD3 . . 5.500 4.141 3.450 4.877 . 0 0 "[ . 1 . 2]" 1
758 1 19 PHE QE 1 28 LYS QE . . 5.340 4.328 3.892 4.673 . 0 0 "[ . 1 . 2]" 1
759 1 20 VAL H 1 20 VAL HB . . 3.470 2.560 2.055 3.550 0.080 16 0 "[ . 1 . 2]" 1
760 1 20 VAL H 1 20 VAL QG . . 3.140 2.322 2.007 2.538 . 0 0 "[ . 1 . 2]" 1
761 1 20 VAL H 1 20 VAL MG2 . . 4.010 2.708 2.392 3.315 . 0 0 "[ . 1 . 2]" 1
762 1 20 VAL H 1 21 SER H . . 4.550 4.475 4.364 4.552 0.002 19 0 "[ . 1 . 2]" 1
763 1 20 VAL H 1 25 LEU HA . . 5.290 4.793 4.545 4.898 . 0 0 "[ . 1 . 2]" 1
764 1 20 VAL H 1 25 LEU QD . . 5.100 4.489 4.297 4.707 . 0 0 "[ . 1 . 2]" 1
765 1 20 VAL H 1 26 LYS H . . 4.770 4.265 4.009 4.654 . 0 0 "[ . 1 . 2]" 1
766 1 20 VAL H 1 50 ILE HA . . 5.310 5.382 5.353 5.449 0.139 2 0 "[ . 1 . 2]" 1
767 1 20 VAL H 1 53 LEU HB2 . . 4.250 4.206 4.089 4.324 0.074 2 0 "[ . 1 . 2]" 1
768 1 20 VAL H 1 53 LEU HB3 . . 4.210 3.186 2.939 3.368 . 0 0 "[ . 1 . 2]" 1
769 1 20 VAL H 1 53 LEU MD1 . . 3.790 3.713 3.450 3.859 0.069 9 0 "[ . 1 . 2]" 1
770 1 20 VAL H 1 53 LEU MD2 . . 4.200 4.135 3.638 4.283 0.083 9 0 "[ . 1 . 2]" 1
771 1 20 VAL HA 1 20 VAL MG1 . . 3.600 2.749 2.396 2.960 . 0 0 "[ . 1 . 2]" 1
772 1 20 VAL HA 1 21 SER H . . 2.710 2.169 2.097 2.229 . 0 0 "[ . 1 . 2]" 1
773 1 20 VAL HA 1 21 SER HB2 . . 4.940 4.186 3.873 4.580 . 0 0 "[ . 1 . 2]" 1
774 1 20 VAL HA 1 21 SER HB3 . . 5.200 4.646 4.082 5.053 . 0 0 "[ . 1 . 2]" 1
775 1 20 VAL HA 1 23 ASN H . . 5.500 5.532 5.435 5.575 0.075 12 0 "[ . 1 . 2]" 1
776 1 20 VAL HA 1 24 LYS H . . 4.000 4.039 3.964 4.070 0.070 3 0 "[ . 1 . 2]" 1
777 1 20 VAL HA 1 25 LEU H . . 4.730 4.619 4.468 4.768 0.038 6 0 "[ . 1 . 2]" 1
778 1 20 VAL HA 1 25 LEU HA . . 3.900 2.596 2.389 2.722 . 0 0 "[ . 1 . 2]" 1
779 1 20 VAL HA 1 25 LEU QD . . 4.260 3.554 3.375 3.755 . 0 0 "[ . 1 . 2]" 1
780 1 20 VAL HA 1 26 LYS H . . 3.560 2.090 1.741 2.641 . 0 0 "[ . 1 . 2]" 1
781 1 20 VAL HA 1 53 LEU MD1 . . 5.500 4.346 3.882 4.551 . 0 0 "[ . 1 . 2]" 1
782 1 20 VAL HB 1 21 SER H . . 4.440 3.759 3.219 4.095 . 0 0 "[ . 1 . 2]" 1
783 1 20 VAL HB 1 23 ASN H . . 5.500 4.953 4.817 5.292 . 0 0 "[ . 1 . 2]" 1
784 1 20 VAL HB 1 23 ASN HA . . 5.270 4.686 3.984 5.152 . 0 0 "[ . 1 . 2]" 1
785 1 20 VAL HB 1 50 ILE MD . . 5.500 5.208 4.175 5.698 0.198 2 0 "[ . 1 . 2]" 1
786 1 20 VAL HB 1 50 ILE MG . . 3.990 3.579 2.855 4.048 0.058 17 0 "[ . 1 . 2]" 1
787 1 20 VAL HB 1 53 LEU MD1 . . 5.020 4.279 4.057 4.560 . 0 0 "[ . 1 . 2]" 1
788 1 20 VAL HB 1 54 THR HA . . 5.500 4.612 3.538 5.573 0.073 20 0 "[ . 1 . 2]" 1
789 1 20 VAL QG 1 21 SER H . . 2.990 2.602 2.362 2.850 . 0 0 "[ . 1 . 2]" 1
790 1 20 VAL QG 1 21 SER HA . . 4.270 3.549 3.397 3.728 . 0 0 "[ . 1 . 2]" 1
791 1 20 VAL QG 1 21 SER HB2 . . 5.440 4.634 4.507 4.755 . 0 0 "[ . 1 . 2]" 1
792 1 20 VAL QG 1 22 ASP H . . 5.170 3.912 3.651 4.184 . 0 0 "[ . 1 . 2]" 1
793 1 20 VAL QG 1 22 ASP HA . . 5.070 4.647 4.454 4.819 . 0 0 "[ . 1 . 2]" 1
794 1 20 VAL QG 1 23 ASN H . . 3.170 2.549 2.422 2.730 . 0 0 "[ . 1 . 2]" 1
795 1 20 VAL QG 1 23 ASN HA . . 3.230 2.369 2.171 2.553 . 0 0 "[ . 1 . 2]" 1
796 1 20 VAL QG 1 23 ASN HB2 . . 4.730 4.431 4.213 4.605 . 0 0 "[ . 1 . 2]" 1
797 1 20 VAL QG 1 23 ASN HB3 . . 4.780 4.566 4.110 4.770 . 0 0 "[ . 1 . 2]" 1
798 1 20 VAL QG 1 23 ASN HD21 . . 4.960 3.811 3.224 4.980 0.020 1 0 "[ . 1 . 2]" 1
799 1 20 VAL QG 1 24 LYS H . . 3.120 2.195 1.991 2.551 . 0 0 "[ . 1 . 2]" 1
800 1 20 VAL QG 1 24 LYS QG . . 5.370 4.770 4.422 5.295 . 0 0 "[ . 1 . 2]" 1
801 1 20 VAL QG 1 25 LEU H . . 4.170 3.525 3.039 4.277 0.107 20 0 "[ . 1 . 2]" 1
802 1 20 VAL QG 1 25 LEU HA . . 3.460 2.388 1.963 3.207 . 0 0 "[ . 1 . 2]" 1
803 1 20 VAL QG 1 25 LEU HB2 . . 4.180 3.451 2.906 4.269 0.089 14 0 "[ . 1 . 2]" 1
804 1 20 VAL QG 1 25 LEU QD . . 3.550 2.600 2.135 3.173 . 0 0 "[ . 1 . 2]" 1
805 1 20 VAL QG 1 26 LYS H . . 3.830 3.271 2.820 3.927 0.097 20 0 "[ . 1 . 2]" 1
806 1 20 VAL QG 1 49 LEU HB3 . . 4.690 4.182 3.862 4.714 0.024 16 0 "[ . 1 . 2]" 1
807 1 20 VAL QG 1 50 ILE HA . . 2.950 1.930 1.819 2.119 . 0 0 "[ . 1 . 2]" 1
808 1 20 VAL QG 1 50 ILE HB . . 4.360 3.850 3.673 4.146 . 0 0 "[ . 1 . 2]" 1
809 1 20 VAL QG 1 50 ILE HG13 . . 3.970 3.131 2.679 3.945 . 0 0 "[ . 1 . 2]" 1
810 1 20 VAL QG 1 50 ILE MG . . 2.760 1.965 1.817 2.076 . 0 0 "[ . 1 . 2]" 1
811 1 20 VAL QG 1 53 LEU H . . 3.760 3.535 3.379 3.669 . 0 0 "[ . 1 . 2]" 1
812 1 20 VAL QG 1 53 LEU HA . . 4.140 4.159 3.957 4.251 0.111 15 0 "[ . 1 . 2]" 1
813 1 20 VAL QG 1 53 LEU HB2 . . 3.320 2.031 1.935 2.134 . 0 0 "[ . 1 . 2]" 1
814 1 20 VAL QG 1 53 LEU HB3 . . 3.590 2.332 2.038 2.465 . 0 0 "[ . 1 . 2]" 1
815 1 20 VAL QG 1 53 LEU MD1 . . 3.390 2.290 1.919 2.501 . 0 0 "[ . 1 . 2]" 1
816 1 20 VAL QG 1 53 LEU MD2 . . 3.620 3.589 3.392 3.660 0.040 7 0 "[ . 1 . 2]" 1
817 1 20 VAL QG 1 54 THR H . . 3.750 2.964 2.392 3.392 . 0 0 "[ . 1 . 2]" 1
818 1 20 VAL QG 1 54 THR HA . . 3.790 3.493 2.640 3.896 0.106 6 0 "[ . 1 . 2]" 1
819 1 20 VAL QG 1 54 THR HB . . 3.980 2.519 1.906 2.870 . 0 0 "[ . 1 . 2]" 1
820 1 20 VAL QG 1 54 THR MG . . 3.580 3.437 2.823 3.686 0.106 11 0 "[ . 1 . 2]" 1
821 1 20 VAL MG1 1 21 SER H . . 4.440 3.100 2.378 4.397 . 0 0 "[ . 1 . 2]" 1
822 1 20 VAL MG1 1 23 ASN HA . . 4.710 3.025 2.201 4.592 . 0 0 "[ . 1 . 2]" 1
823 1 20 VAL MG1 1 25 LEU H . . 4.880 3.907 3.259 4.950 0.070 16 0 "[ . 1 . 2]" 1
824 1 20 VAL MG1 1 25 LEU HA . . 4.210 3.122 2.924 3.326 . 0 0 "[ . 1 . 2]" 1
825 1 20 VAL MG1 1 26 LYS H . . 4.910 3.970 3.791 4.170 . 0 0 "[ . 1 . 2]" 1
826 1 20 VAL MG1 1 50 ILE HA . . 3.580 2.898 2.063 3.421 . 0 0 "[ . 1 . 2]" 1
827 1 20 VAL MG1 1 50 ILE HG13 . . 4.990 3.814 3.597 4.177 . 0 0 "[ . 1 . 2]" 1
828 1 20 VAL MG1 1 53 LEU MD1 . . 4.730 3.931 2.377 4.833 0.103 19 0 "[ . 1 . 2]" 1
829 1 20 VAL MG1 1 54 THR H . . 5.040 3.903 2.414 4.764 . 0 0 "[ . 1 . 2]" 1
830 1 20 VAL MG1 1 54 THR HA . . 4.770 4.010 2.704 4.664 . 0 0 "[ . 1 . 2]" 1
831 1 20 VAL MG1 1 54 THR HB . . 4.640 2.772 2.025 3.238 . 0 0 "[ . 1 . 2]" 1
832 1 20 VAL MG1 1 54 THR MG . . 4.320 3.815 3.246 4.166 . 0 0 "[ . 1 . 2]" 1
833 1 20 VAL MG2 1 23 ASN HA . . 4.710 3.917 2.177 4.776 0.066 15 0 "[ . 1 . 2]" 1
834 1 20 VAL MG2 1 25 LEU H . . 4.880 4.061 3.634 4.725 . 0 0 "[ . 1 . 2]" 1
835 1 20 VAL MG2 1 25 LEU HA . . 4.210 2.707 1.988 4.272 0.062 14 0 "[ . 1 . 2]" 1
836 1 20 VAL MG2 1 26 LYS H . . 4.910 3.672 2.896 4.992 0.082 14 0 "[ . 1 . 2]" 1
837 1 20 VAL MG2 1 50 ILE HA . . 3.580 2.374 1.831 3.644 0.064 14 0 "[ . 1 . 2]" 1
838 1 20 VAL MG2 1 50 ILE HG13 . . 4.990 3.468 2.764 4.848 . 0 0 "[ . 1 . 2]" 1
839 1 20 VAL MG2 1 53 LEU MD1 . . 4.730 2.989 1.922 4.819 0.089 4 0 "[ . 1 . 2]" 1
840 1 20 VAL MG2 1 54 THR H . . 5.040 3.471 2.850 4.215 . 0 0 "[ . 1 . 2]" 1
841 1 20 VAL MG2 1 54 THR HA . . 4.770 3.959 3.479 4.276 . 0 0 "[ . 1 . 2]" 1
842 1 20 VAL MG2 1 54 THR HB . . 4.640 2.910 2.324 3.264 . 0 0 "[ . 1 . 2]" 1
843 1 20 VAL MG2 1 54 THR MG . . 4.320 3.915 3.103 4.147 . 0 0 "[ . 1 . 2]" 1
844 1 21 SER H 1 21 SER HB2 . . 3.600 2.936 2.684 3.334 . 0 0 "[ . 1 . 2]" 1
845 1 21 SER H 1 21 SER HB3 . . 3.420 2.814 2.454 3.160 . 0 0 "[ . 1 . 2]" 1
846 1 21 SER H 1 22 ASP H . . 4.570 4.170 4.084 4.267 . 0 0 "[ . 1 . 2]" 1
847 1 21 SER H 1 23 ASN H . . 4.770 4.212 3.994 4.499 . 0 0 "[ . 1 . 2]" 1
848 1 21 SER H 1 24 LYS H . . 3.280 2.763 2.594 2.969 . 0 0 "[ . 1 . 2]" 1
849 1 21 SER H 1 24 LYS HA . . 4.930 4.800 4.660 4.947 0.017 6 0 "[ . 1 . 2]" 1
850 1 21 SER H 1 24 LYS HB3 . . 3.700 3.622 3.454 3.755 0.055 3 0 "[ . 1 . 2]" 1
851 1 21 SER H 1 25 LEU HA . . 4.100 4.076 3.922 4.161 0.061 7 0 "[ . 1 . 2]" 1
852 1 21 SER H 1 25 LEU QD . . 5.440 5.074 4.852 5.261 . 0 0 "[ . 1 . 2]" 1
853 1 21 SER H 1 26 LYS H . . 4.010 3.637 3.269 4.069 0.059 16 0 "[ . 1 . 2]" 1
854 1 21 SER H 1 26 LYS HB3 . . 4.770 4.555 3.814 4.831 0.061 4 0 "[ . 1 . 2]" 1
855 1 21 SER H 1 26 LYS HD2 . . 4.690 4.039 3.501 4.560 . 0 0 "[ . 1 . 2]" 1
856 1 21 SER H 1 26 LYS HD3 . . 4.260 2.752 2.319 3.178 . 0 0 "[ . 1 . 2]" 1
857 1 21 SER HA 1 22 ASP H . . 3.280 2.191 2.092 2.272 . 0 0 "[ . 1 . 2]" 1
858 1 21 SER HA 1 22 ASP HA . . 4.820 4.387 4.274 4.462 . 0 0 "[ . 1 . 2]" 1
859 1 21 SER HA 1 23 ASN H . . 4.220 3.966 3.673 4.200 . 0 0 "[ . 1 . 2]" 1
860 1 21 SER HB2 1 22 ASP H . . 4.800 4.451 4.276 4.651 . 0 0 "[ . 1 . 2]" 1
861 1 21 SER HB2 1 26 LYS HD2 . . 5.230 4.727 4.142 5.286 0.056 1 0 "[ . 1 . 2]" 1
862 1 21 SER HB2 1 26 LYS HD3 . . 4.390 3.176 2.662 3.763 . 0 0 "[ . 1 . 2]" 1
863 1 21 SER HB2 1 26 LYS QE . . 4.850 3.959 3.205 4.922 0.072 19 0 "[ . 1 . 2]" 1
864 1 21 SER HB2 1 26 LYS HG2 . . 4.170 3.046 2.310 3.807 . 0 0 "[ . 1 . 2]" 1
865 1 21 SER HB3 1 22 ASP H . . 4.980 4.053 3.721 4.331 . 0 0 "[ . 1 . 2]" 1
866 1 21 SER HB3 1 23 ASN H . . 5.500 5.539 5.327 5.580 0.080 18 0 "[ . 1 . 2]" 1
867 1 21 SER HB3 1 24 LYS H . . 5.000 4.584 4.314 4.856 . 0 0 "[ . 1 . 2]" 1
868 1 21 SER HB3 1 26 LYS HD2 . . 4.820 4.026 3.764 4.501 . 0 0 "[ . 1 . 2]" 1
869 1 21 SER HB3 1 26 LYS HD3 . . 4.080 2.350 2.073 2.752 . 0 0 "[ . 1 . 2]" 1
870 1 21 SER HB3 1 26 LYS QE . . 4.320 2.885 2.113 4.203 . 0 0 "[ . 1 . 2]" 1
871 1 21 SER HB3 1 26 LYS HG2 . . 4.210 3.097 2.697 3.417 . 0 0 "[ . 1 . 2]" 1
872 1 22 ASP H 1 23 ASN H . . 3.760 2.836 2.636 3.052 . 0 0 "[ . 1 . 2]" 1
873 1 22 ASP H 1 23 ASN HA . . 5.240 5.095 4.881 5.297 0.057 19 0 "[ . 1 . 2]" 1
874 1 22 ASP H 1 24 LYS H . . 4.760 4.233 4.019 4.367 . 0 0 "[ . 1 . 2]" 1
875 1 22 ASP H 1 24 LYS HB3 . . 5.480 5.520 5.352 5.556 0.076 8 0 "[ . 1 . 2]" 1
876 1 22 ASP HA 1 23 ASN H . . 2.980 2.657 2.477 2.821 . 0 0 "[ . 1 . 2]" 1
877 1 22 ASP HA 1 23 ASN HA . . 4.820 4.692 4.540 4.791 . 0 0 "[ . 1 . 2]" 1
878 1 22 ASP HA 1 23 ASN HB2 . . 4.670 3.875 3.712 4.139 . 0 0 "[ . 1 . 2]" 1
879 1 22 ASP HA 1 23 ASN HD21 . . 5.170 5.093 3.648 5.252 0.082 5 0 "[ . 1 . 2]" 1
880 1 22 ASP HA 1 24 LYS H . . 4.600 4.490 4.309 4.659 0.059 1 0 "[ . 1 . 2]" 1
881 1 22 ASP QB 1 23 ASN H . . 3.900 3.941 3.850 3.981 0.081 12 0 "[ . 1 . 2]" 1
882 1 22 ASP QB 1 24 LYS H . . 4.370 4.092 3.851 4.342 . 0 0 "[ . 1 . 2]" 1
883 1 22 ASP QB 1 24 LYS HB2 . . 4.590 3.968 3.498 4.450 . 0 0 "[ . 1 . 2]" 1
884 1 22 ASP QB 1 24 LYS HB3 . . 4.760 3.731 3.283 4.051 . 0 0 "[ . 1 . 2]" 1
885 1 22 ASP HB2 1 23 ASN H . . 4.560 4.441 4.216 4.604 0.044 11 0 "[ . 1 . 2]" 1
886 1 22 ASP HB2 1 24 LYS HB3 . . 5.500 4.535 3.394 5.568 0.068 18 0 "[ . 1 . 2]" 1
887 1 22 ASP HB3 1 23 ASN H . . 4.560 4.425 4.215 4.562 0.002 3 0 "[ . 1 . 2]" 1
888 1 22 ASP HB3 1 24 LYS HB3 . . 5.500 4.598 3.336 5.554 0.054 10 0 "[ . 1 . 2]" 1
889 1 23 ASN H 1 23 ASN HA . . 2.600 2.296 2.251 2.408 . 0 0 "[ . 1 . 2]" 1
890 1 23 ASN H 1 23 ASN HB2 . . 3.490 3.092 2.978 3.449 . 0 0 "[ . 1 . 2]" 1
891 1 23 ASN H 1 23 ASN HB3 . . 4.210 3.922 3.837 4.180 . 0 0 "[ . 1 . 2]" 1
892 1 23 ASN H 1 23 ASN HD21 . . 4.930 3.456 2.364 3.864 . 0 0 "[ . 1 . 2]" 1
893 1 23 ASN H 1 23 ASN HD22 . . 5.080 4.982 3.933 5.148 0.068 17 0 "[ . 1 . 2]" 1
894 1 23 ASN H 1 24 LYS H . . 3.110 2.702 2.566 2.785 . 0 0 "[ . 1 . 2]" 1
895 1 23 ASN H 1 24 LYS HB2 . . 5.500 5.111 4.810 5.358 . 0 0 "[ . 1 . 2]" 1
896 1 23 ASN H 1 24 LYS HB3 . . 5.500 5.014 4.762 5.163 . 0 0 "[ . 1 . 2]" 1
897 1 23 ASN H 1 50 ILE MG . . 4.870 4.469 4.333 4.639 . 0 0 "[ . 1 . 2]" 1
898 1 23 ASN HA 1 23 ASN HD21 . . 4.290 2.464 2.101 3.880 . 0 0 "[ . 1 . 2]" 1
899 1 23 ASN HA 1 23 ASN HD22 . . 4.560 3.435 3.251 3.977 . 0 0 "[ . 1 . 2]" 1
900 1 23 ASN HA 1 24 LYS H . . 3.180 2.873 2.632 3.117 . 0 0 "[ . 1 . 2]" 1
901 1 23 ASN HA 1 24 LYS HB2 . . 5.500 5.065 4.912 5.217 . 0 0 "[ . 1 . 2]" 1
902 1 23 ASN HA 1 50 ILE HB . . 5.500 5.536 5.331 5.645 0.145 2 0 "[ . 1 . 2]" 1
903 1 23 ASN HA 1 50 ILE MG . . 3.930 2.729 2.570 2.855 . 0 0 "[ . 1 . 2]" 1
904 1 23 ASN HB2 1 23 ASN HD21 . . 3.380 2.470 2.237 3.055 . 0 0 "[ . 1 . 2]" 1
905 1 23 ASN HB2 1 23 ASN HD22 . . 3.790 3.606 3.509 3.841 0.051 13 0 "[ . 1 . 2]" 1
906 1 23 ASN HB2 1 24 LYS H . . 4.480 4.484 4.376 4.534 0.054 5 0 "[ . 1 . 2]" 1
907 1 23 ASN HB2 1 24 LYS HB2 . . 5.500 5.491 4.844 5.575 0.075 10 0 "[ . 1 . 2]" 1
908 1 23 ASN HB3 1 24 LYS H . . 4.380 4.235 4.094 4.425 0.045 13 0 "[ . 1 . 2]" 1
909 1 23 ASN HB3 1 24 LYS HB2 . . 4.960 4.510 4.289 5.041 0.081 1 0 "[ . 1 . 2]" 1
910 1 23 ASN HB3 1 50 ILE MD . . 5.420 4.448 3.575 4.717 . 0 0 "[ . 1 . 2]" 1
911 1 23 ASN HB3 1 50 ILE MG . . 4.580 4.192 3.132 4.644 0.064 19 0 "[ . 1 . 2]" 1
912 1 23 ASN HD21 1 50 ILE MG . . 5.450 3.728 3.063 5.212 . 0 0 "[ . 1 . 2]" 1
913 1 24 LYS H 1 24 LYS HB2 . . 3.460 3.096 2.930 3.289 . 0 0 "[ . 1 . 2]" 1
914 1 24 LYS H 1 24 LYS HB3 . . 3.610 2.742 2.569 2.900 . 0 0 "[ . 1 . 2]" 1
915 1 24 LYS H 1 24 LYS QD . . 4.760 4.540 4.320 4.812 0.052 11 0 "[ . 1 . 2]" 1
916 1 24 LYS H 1 24 LYS QG . . 4.380 4.169 4.030 4.281 . 0 0 "[ . 1 . 2]" 1
917 1 24 LYS H 1 25 LEU H . . 4.300 4.145 3.979 4.272 . 0 0 "[ . 1 . 2]" 1
918 1 24 LYS H 1 50 ILE MD . . 4.810 4.050 3.805 4.531 . 0 0 "[ . 1 . 2]" 1
919 1 24 LYS H 1 50 ILE MG . . 4.040 4.050 3.829 4.126 0.086 18 0 "[ . 1 . 2]" 1
920 1 24 LYS HA 1 24 LYS HD2 . . 4.060 2.892 2.130 3.761 . 0 0 "[ . 1 . 2]" 1
921 1 24 LYS HA 1 24 LYS QD . . 3.470 2.201 2.006 2.894 . 0 0 "[ . 1 . 2]" 1
922 1 24 LYS HA 1 24 LYS HD3 . . 4.060 2.508 2.090 3.008 . 0 0 "[ . 1 . 2]" 1
923 1 24 LYS HA 1 24 LYS QG . . 3.670 2.926 2.366 3.127 . 0 0 "[ . 1 . 2]" 1
924 1 24 LYS HA 1 25 LEU H . . 2.820 2.121 2.069 2.167 . 0 0 "[ . 1 . 2]" 1
925 1 24 LYS HA 1 25 LEU HA . . 4.610 4.402 4.349 4.451 . 0 0 "[ . 1 . 2]" 1
926 1 24 LYS HA 1 25 LEU HB2 . . 5.020 4.515 4.307 4.753 . 0 0 "[ . 1 . 2]" 1
927 1 24 LYS HA 1 25 LEU HB3 . . 4.880 4.453 4.169 4.591 . 0 0 "[ . 1 . 2]" 1
928 1 24 LYS HA 1 50 ILE MD . . 3.570 2.278 1.974 2.524 . 0 0 "[ . 1 . 2]" 1
929 1 24 LYS HA 1 50 ILE HG13 . . 4.550 4.348 4.021 4.590 0.040 18 0 "[ . 1 . 2]" 1
930 1 24 LYS HA 1 50 ILE MG . . 5.170 3.998 3.603 4.379 . 0 0 "[ . 1 . 2]" 1
931 1 24 LYS HB2 1 24 LYS QD . . 3.560 2.718 2.212 3.401 . 0 0 "[ . 1 . 2]" 1
932 1 24 LYS HB2 1 24 LYS QE . . 5.010 3.451 2.047 4.396 . 0 0 "[ . 1 . 2]" 1
933 1 24 LYS HB2 1 25 LEU H . . 4.860 4.341 4.209 4.449 . 0 0 "[ . 1 . 2]" 1
934 1 24 LYS HB3 1 25 LEU H . . 5.180 4.221 4.073 4.388 . 0 0 "[ . 1 . 2]" 1
935 1 24 LYS HB3 1 26 LYS HD3 . . 3.470 3.149 2.906 3.512 0.042 9 0 "[ . 1 . 2]" 1
936 1 24 LYS HB3 1 26 LYS QE . . 4.260 3.203 2.479 4.324 0.064 13 0 "[ . 1 . 2]" 1
937 1 24 LYS QD 1 25 LEU HB2 . . 4.640 4.559 4.125 4.724 0.084 6 0 "[ . 1 . 2]" 1
938 1 24 LYS QD 1 46 LYS HB2 . . 4.570 4.167 3.763 4.632 0.062 5 0 "[ . 1 . 2]" 1
939 1 24 LYS QD 1 50 ILE MD . . 4.310 2.876 2.581 3.528 . 0 0 "[ . 1 . 2]" 1
940 1 24 LYS HD2 1 25 LEU H . . 5.010 3.183 2.200 4.360 . 0 0 "[ . 1 . 2]" 1
941 1 24 LYS HD3 1 25 LEU H . . 5.010 3.384 2.438 4.302 . 0 0 "[ . 1 . 2]" 1
942 1 24 LYS QE 1 25 LEU H . . 4.490 4.228 3.649 4.561 0.071 15 0 "[ . 1 . 2]" 1
943 1 24 LYS QG 1 25 LEU H . . 4.340 3.218 2.881 3.523 . 0 0 "[ . 1 . 2]" 1
944 1 24 LYS QG 1 25 LEU HB2 . . 5.500 5.225 4.757 5.560 0.060 5 0 "[ . 1 . 2]" 1
945 1 24 LYS QG 1 26 LYS QE . . 5.340 3.087 2.326 4.134 . 0 0 "[ . 1 . 2]" 1
946 1 24 LYS QG 1 50 ILE MD . . 4.590 4.148 3.659 4.500 . 0 0 "[ . 1 . 2]" 1
947 1 25 LEU H 1 25 LEU HA . . 2.870 2.815 2.777 2.849 . 0 0 "[ . 1 . 2]" 1
948 1 25 LEU H 1 25 LEU HB2 . . 3.300 2.496 2.315 2.758 . 0 0 "[ . 1 . 2]" 1
949 1 25 LEU H 1 25 LEU HB3 . . 2.930 2.408 2.196 2.494 . 0 0 "[ . 1 . 2]" 1
950 1 25 LEU H 1 25 LEU MD1 . . 4.460 4.155 4.074 4.301 . 0 0 "[ . 1 . 2]" 1
951 1 25 LEU H 1 25 LEU MD2 . . 4.460 4.147 4.039 4.243 . 0 0 "[ . 1 . 2]" 1
952 1 25 LEU H 1 26 LYS H . . 4.670 4.459 4.371 4.586 . 0 0 "[ . 1 . 2]" 1
953 1 25 LEU H 1 46 LYS HB2 . . 4.480 3.863 3.605 4.189 . 0 0 "[ . 1 . 2]" 1
954 1 25 LEU H 1 50 ILE MD . . 3.390 1.916 1.719 2.191 . 0 0 "[ . 1 . 2]" 1
955 1 25 LEU H 1 50 ILE HG13 . . 3.750 3.029 2.753 3.226 . 0 0 "[ . 1 . 2]" 1
956 1 25 LEU HA 1 25 LEU MD1 . . 4.220 2.722 2.065 3.567 . 0 0 "[ . 1 . 2]" 1
957 1 25 LEU HA 1 25 LEU QD . . 3.090 2.157 2.057 2.268 . 0 0 "[ . 1 . 2]" 1
958 1 25 LEU HA 1 25 LEU MD2 . . 4.220 3.146 2.081 3.884 . 0 0 "[ . 1 . 2]" 1
959 1 25 LEU HA 1 25 LEU HG . . 3.980 3.383 3.146 3.707 . 0 0 "[ . 1 . 2]" 1
960 1 25 LEU HA 1 26 LYS H . . 2.800 2.111 2.023 2.182 . 0 0 "[ . 1 . 2]" 1
961 1 25 LEU HA 1 50 ILE H . . 5.500 5.413 5.214 5.559 0.059 19 0 "[ . 1 . 2]" 1
962 1 25 LEU HA 1 50 ILE MD . . 4.420 3.904 3.650 4.271 . 0 0 "[ . 1 . 2]" 1
963 1 25 LEU HA 1 50 ILE HG12 . . 4.420 2.991 2.735 3.281 . 0 0 "[ . 1 . 2]" 1
964 1 25 LEU HA 1 53 LEU HB2 . . 5.260 5.065 4.924 5.201 . 0 0 "[ . 1 . 2]" 1
965 1 25 LEU HA 1 53 LEU MD1 . . 4.730 3.773 3.504 3.939 . 0 0 "[ . 1 . 2]" 1
966 1 25 LEU HB2 1 26 LYS H . . 4.390 4.307 4.131 4.385 . 0 0 "[ . 1 . 2]" 1
967 1 25 LEU HB2 1 46 LYS QG . . 5.500 5.405 5.025 5.561 0.061 9 0 "[ . 1 . 2]" 1
968 1 25 LEU HB2 1 50 ILE MD . . 3.660 2.883 2.578 3.105 . 0 0 "[ . 1 . 2]" 1
969 1 25 LEU HB2 1 50 ILE HG12 . . 3.620 2.902 2.563 3.104 . 0 0 "[ . 1 . 2]" 1
970 1 25 LEU HB2 1 50 ILE HG13 . . 3.520 2.056 1.996 2.120 . 0 0 "[ . 1 . 2]" 1
971 1 25 LEU HB2 1 50 ILE MG . . 4.570 4.624 4.428 4.662 0.092 6 0 "[ . 1 . 2]" 1
972 1 25 LEU HB2 1 53 LEU MD1 . . 4.260 4.218 3.734 4.353 0.093 12 0 "[ . 1 . 2]" 1
973 1 25 LEU HB3 1 26 LYS H . . 4.520 4.373 4.185 4.486 . 0 0 "[ . 1 . 2]" 1
974 1 25 LEU HB3 1 50 ILE HG13 . . 4.380 3.569 3.242 3.728 . 0 0 "[ . 1 . 2]" 1
975 1 25 LEU QD 1 26 LYS H . . 3.160 2.320 2.080 2.483 . 0 0 "[ . 1 . 2]" 1
976 1 25 LEU QD 1 26 LYS HA . . 4.420 3.672 3.112 4.107 . 0 0 "[ . 1 . 2]" 1
977 1 25 LEU QD 1 27 TYR H . . 4.870 4.673 4.214 4.970 0.100 16 0 "[ . 1 . 2]" 1
978 1 25 LEU QD 1 27 TYR HA . . 4.990 4.281 4.046 4.486 . 0 0 "[ . 1 . 2]" 1
979 1 25 LEU QD 1 42 TRP H . . 4.760 4.567 4.378 4.749 . 0 0 "[ . 1 . 2]" 1
980 1 25 LEU QD 1 42 TRP HB2 . . 4.270 3.344 3.226 3.474 . 0 0 "[ . 1 . 2]" 1
981 1 25 LEU QD 1 42 TRP HB3 . . 4.120 1.956 1.860 2.058 . 0 0 "[ . 1 . 2]" 1
982 1 25 LEU QD 1 43 LYS H . . 4.370 4.375 4.031 4.452 0.082 9 0 "[ . 1 . 2]" 1
983 1 25 LEU QD 1 44 GLN H . . 5.440 5.453 5.067 5.560 0.120 7 0 "[ . 1 . 2]" 1
984 1 25 LEU QD 1 46 LYS H . . 4.930 4.375 3.928 4.955 0.025 14 0 "[ . 1 . 2]" 1
985 1 25 LEU QD 1 46 LYS HA . . 3.260 2.611 1.918 3.345 0.085 14 0 "[ . 1 . 2]" 1
986 1 25 LEU QD 1 46 LYS HB3 . . 4.350 3.116 2.622 3.630 . 0 0 "[ . 1 . 2]" 1
987 1 25 LEU QD 1 49 LEU H . . 4.920 4.380 4.001 4.877 . 0 0 "[ . 1 . 2]" 1
988 1 25 LEU QD 1 49 LEU HA . . 4.890 4.086 3.916 4.353 . 0 0 "[ . 1 . 2]" 1
989 1 25 LEU QD 1 49 LEU HB2 . . 4.110 2.637 2.175 3.282 . 0 0 "[ . 1 . 2]" 1
990 1 25 LEU QD 1 49 LEU HB3 . . 3.960 2.142 1.981 2.444 . 0 0 "[ . 1 . 2]" 1
991 1 25 LEU QD 1 49 LEU QD . . 4.300 1.967 1.765 2.439 . 0 0 "[ . 1 . 2]" 1
992 1 25 LEU QD 1 50 ILE H . . 5.430 3.904 3.686 4.222 . 0 0 "[ . 1 . 2]" 1
993 1 25 LEU QD 1 50 ILE HA . . 4.170 3.551 3.397 4.150 . 0 0 "[ . 1 . 2]" 1
994 1 25 LEU QD 1 53 LEU MD1 . . 3.140 2.006 1.888 2.464 . 0 0 "[ . 1 . 2]" 1
995 1 25 LEU MD1 1 26 LYS H . . 4.660 2.860 2.083 3.855 . 0 0 "[ . 1 . 2]" 1
996 1 25 LEU MD1 1 42 TRP HB2 . . 5.500 4.569 3.247 5.564 0.064 15 0 "[ . 1 . 2]" 1
997 1 25 LEU MD1 1 46 LYS HA . . 4.360 3.869 2.941 4.417 0.057 3 0 "[ . 1 . 2]" 1
998 1 25 LEU MD2 1 42 TRP HB2 . . 5.500 4.294 3.414 5.578 0.078 6 0 "[ . 1 . 2]" 1
999 1 25 LEU MD2 1 46 LYS HA . . 4.360 3.024 1.920 4.436 0.076 12 0 "[ . 1 . 2]" 1
1000 1 25 LEU HG 1 26 LYS H . . 4.760 4.025 3.088 4.840 0.080 6 0 "[ . 1 . 2]" 1
1001 1 26 LYS H 1 26 LYS HB2 . . 3.620 2.512 2.399 2.631 . 0 0 "[ . 1 . 2]" 1
1002 1 26 LYS H 1 26 LYS HB3 . . 3.530 3.396 3.149 3.505 . 0 0 "[ . 1 . 2]" 1
1003 1 26 LYS H 1 26 LYS HD2 . . 4.630 3.953 3.581 4.164 . 0 0 "[ . 1 . 2]" 1
1004 1 26 LYS H 1 26 LYS HD3 . . 5.080 4.039 3.677 4.498 . 0 0 "[ . 1 . 2]" 1
1005 1 26 LYS H 1 26 LYS HG2 . . 5.240 4.811 4.671 4.962 . 0 0 "[ . 1 . 2]" 1
1006 1 26 LYS H 1 26 LYS HG3 . . 5.500 4.599 4.448 4.745 . 0 0 "[ . 1 . 2]" 1
1007 1 26 LYS H 1 27 TYR H . . 4.490 4.496 4.356 4.567 0.077 6 0 "[ . 1 . 2]" 1
1008 1 26 LYS H 1 50 ILE HG12 . . 5.490 4.958 4.704 5.341 . 0 0 "[ . 1 . 2]" 1
1009 1 26 LYS H 1 53 LEU MD1 . . 4.730 4.027 3.786 4.158 . 0 0 "[ . 1 . 2]" 1
1010 1 26 LYS HA 1 26 LYS HD2 . . 4.070 2.479 2.242 2.763 . 0 0 "[ . 1 . 2]" 1
1011 1 26 LYS HA 1 26 LYS HD3 . . 4.160 3.571 3.246 3.920 . 0 0 "[ . 1 . 2]" 1
1012 1 26 LYS HA 1 26 LYS HE2 . . 5.100 4.714 4.049 5.035 . 0 0 "[ . 1 . 2]" 1
1013 1 26 LYS HA 1 26 LYS HE3 . . 5.100 4.742 3.817 5.001 . 0 0 "[ . 1 . 2]" 1
1014 1 26 LYS HA 1 26 LYS HG3 . . 3.220 2.328 2.160 2.489 . 0 0 "[ . 1 . 2]" 1
1015 1 26 LYS HA 1 27 TYR H . . 2.830 2.513 2.366 2.761 . 0 0 "[ . 1 . 2]" 1
1016 1 26 LYS HA 1 27 TYR HA . . 4.710 4.539 4.486 4.654 . 0 0 "[ . 1 . 2]" 1
1017 1 26 LYS HA 1 27 TYR QD . . 4.200 3.592 3.380 3.978 . 0 0 "[ . 1 . 2]" 1
1018 1 26 LYS HB2 1 26 LYS HD2 . . 4.110 3.063 2.733 3.304 . 0 0 "[ . 1 . 2]" 1
1019 1 26 LYS HB2 1 26 LYS QE . . 4.670 3.976 3.686 4.186 . 0 0 "[ . 1 . 2]" 1
1020 1 26 LYS HB2 1 27 TYR H . . 4.100 3.917 3.755 4.084 . 0 0 "[ . 1 . 2]" 1
1021 1 26 LYS HB3 1 26 LYS QE . . 4.830 4.439 4.089 4.649 . 0 0 "[ . 1 . 2]" 1
1022 1 26 LYS HB3 1 27 TYR H . . 3.320 2.537 2.277 2.865 . 0 0 "[ . 1 . 2]" 1
1023 1 26 LYS HD2 1 27 TYR H . . 4.840 4.530 4.052 4.813 . 0 0 "[ . 1 . 2]" 1
1024 1 26 LYS HD3 1 27 TYR H . . 5.300 5.218 4.949 5.364 0.064 4 0 "[ . 1 . 2]" 1
1025 1 26 LYS QE 1 26 LYS HG2 . . 3.570 2.514 2.147 3.069 . 0 0 "[ . 1 . 2]" 1
1026 1 26 LYS HG3 1 27 TYR H . . 3.230 2.741 2.222 2.973 . 0 0 "[ . 1 . 2]" 1
1027 1 26 LYS HG3 1 27 TYR HA . . 5.500 5.475 4.959 5.580 0.080 9 0 "[ . 1 . 2]" 1
1028 1 27 TYR H 1 27 TYR HB2 . . 4.170 3.997 3.912 4.105 . 0 0 "[ . 1 . 2]" 1
1029 1 27 TYR H 1 27 TYR HB3 . . 4.060 3.191 3.039 3.328 . 0 0 "[ . 1 . 2]" 1
1030 1 27 TYR H 1 27 TYR QD . . 3.460 3.000 2.735 3.191 . 0 0 "[ . 1 . 2]" 1
1031 1 27 TYR H 1 27 TYR QE . . 4.600 4.612 4.356 4.677 0.077 19 0 "[ . 1 . 2]" 1
1032 1 27 TYR H 1 28 LYS H . . 4.570 4.294 4.216 4.368 . 0 0 "[ . 1 . 2]" 1
1033 1 27 TYR H 1 28 LYS HA . . 5.500 4.763 4.600 4.852 . 0 0 "[ . 1 . 2]" 1
1034 1 27 TYR H 1 28 LYS QG . . 5.500 4.643 4.196 5.457 . 0 0 "[ . 1 . 2]" 1
1035 1 27 TYR HA 1 27 TYR QD . . 3.770 3.724 3.668 3.775 0.005 18 0 "[ . 1 . 2]" 1
1036 1 27 TYR HA 1 28 LYS H . . 2.950 2.294 2.175 2.363 . 0 0 "[ . 1 . 2]" 1
1037 1 27 TYR HA 1 28 LYS QB . . 4.600 3.963 3.738 4.269 . 0 0 "[ . 1 . 2]" 1
1038 1 27 TYR HA 1 28 LYS QG . . 5.500 4.651 4.148 5.318 . 0 0 "[ . 1 . 2]" 1
1039 1 27 TYR HA 1 29 THR MG . . 5.500 5.522 5.210 5.598 0.098 14 0 "[ . 1 . 2]" 1
1040 1 27 TYR HB2 1 28 LYS H . . 3.400 3.043 2.881 3.217 . 0 0 "[ . 1 . 2]" 1
1041 1 27 TYR HB2 1 29 THR MG . . 4.860 4.487 4.114 4.673 . 0 0 "[ . 1 . 2]" 1
1042 1 27 TYR HB2 1 38 LEU HB3 . . 5.500 5.581 5.568 5.629 0.129 2 0 "[ . 1 . 2]" 1
1043 1 27 TYR HB2 1 42 TRP HE3 . . 5.330 4.763 4.393 5.005 . 0 0 "[ . 1 . 2]" 1
1044 1 27 TYR HB2 1 42 TRP HH2 . . 4.490 2.932 2.787 3.149 . 0 0 "[ . 1 . 2]" 1
1045 1 27 TYR HB2 1 42 TRP HZ2 . . 4.230 3.691 3.557 3.856 . 0 0 "[ . 1 . 2]" 1
1046 1 27 TYR HB3 1 28 LYS H . . 4.210 4.182 4.079 4.260 0.050 16 0 "[ . 1 . 2]" 1
1047 1 27 TYR HB3 1 42 TRP HE3 . . 5.440 3.782 3.514 4.011 . 0 0 "[ . 1 . 2]" 1
1048 1 27 TYR QD 1 28 LYS H . . 3.770 3.344 3.034 3.498 . 0 0 "[ . 1 . 2]" 1
1049 1 27 TYR QD 1 29 THR H . . 4.870 4.607 4.037 4.876 0.006 18 0 "[ . 1 . 2]" 1
1050 1 27 TYR QD 1 29 THR HB . . 4.710 3.641 3.169 4.123 . 0 0 "[ . 1 . 2]" 1
1051 1 27 TYR QD 1 29 THR MG . . 3.580 2.441 2.233 2.606 . 0 0 "[ . 1 . 2]" 1
1052 1 27 TYR QD 1 34 ILE MD . . 5.500 4.736 4.494 5.071 . 0 0 "[ . 1 . 2]" 1
1053 1 27 TYR QD 1 34 ILE MG . . 5.040 4.140 3.509 4.689 . 0 0 "[ . 1 . 2]" 1
1054 1 27 TYR QD 1 42 TRP HZ2 . . 4.760 4.751 4.428 4.845 0.085 14 0 "[ . 1 . 2]" 1
1055 1 27 TYR QD 1 42 TRP HZ3 . . 4.090 3.056 2.893 3.242 . 0 0 "[ . 1 . 2]" 1
1056 1 27 TYR QE 1 28 LYS H . . 5.500 5.421 5.144 5.572 0.072 15 0 "[ . 1 . 2]" 1
1057 1 27 TYR QE 1 29 THR MG . . 3.660 2.376 2.017 2.893 . 0 0 "[ . 1 . 2]" 1
1058 1 27 TYR QE 1 39 LEU MD2 . . 4.090 2.796 2.381 3.335 . 0 0 "[ . 1 . 2]" 1
1059 1 27 TYR QE 1 42 TRP HE3 . . 5.040 4.468 4.162 4.981 . 0 0 "[ . 1 . 2]" 1
1060 1 27 TYR QE 1 42 TRP HZ3 . . 4.660 3.417 3.176 3.581 . 0 0 "[ . 1 . 2]" 1
1061 1 28 LYS H 1 28 LYS QB . . 3.460 2.492 2.404 2.580 . 0 0 "[ . 1 . 2]" 1
1062 1 28 LYS H 1 28 LYS QG . . 4.120 3.729 3.358 4.136 0.016 4 0 "[ . 1 . 2]" 1
1063 1 28 LYS H 1 29 THR MG . . 4.500 4.164 3.726 4.322 . 0 0 "[ . 1 . 2]" 1
1064 1 28 LYS HA 1 28 LYS QD . . 4.860 3.006 2.606 3.581 . 0 0 "[ . 1 . 2]" 1
1065 1 28 LYS HA 1 29 THR H . . 2.850 2.322 2.194 2.432 . 0 0 "[ . 1 . 2]" 1
1066 1 28 LYS QB 1 29 THR H . . 3.880 3.084 2.638 3.656 . 0 0 "[ . 1 . 2]" 1
1067 1 28 LYS QD 1 29 THR H . . 4.640 3.088 2.390 3.885 . 0 0 "[ . 1 . 2]" 1
1068 1 28 LYS QD 1 29 THR MG . . 5.340 4.993 4.472 5.440 0.100 8 0 "[ . 1 . 2]" 1
1069 1 28 LYS QG 1 29 THR H . . 4.290 3.814 3.333 4.193 . 0 0 "[ . 1 . 2]" 1
1070 1 29 THR H 1 29 THR HB . . 4.160 3.597 3.457 3.775 . 0 0 "[ . 1 . 2]" 1
1071 1 29 THR H 1 29 THR MG . . 3.240 2.653 2.507 2.840 . 0 0 "[ . 1 . 2]" 1
1072 1 29 THR HA 1 31 ARG H . . 4.140 4.049 3.852 4.209 0.069 15 0 "[ . 1 . 2]" 1
1073 1 29 THR HB 1 30 ASN H . . 5.270 3.706 3.510 3.962 . 0 0 "[ . 1 . 2]" 1
1074 1 29 THR HB 1 31 ARG H . . 4.370 4.146 3.984 4.395 0.025 17 0 "[ . 1 . 2]" 1
1075 1 29 THR MG 1 30 ASN H . . 5.070 3.551 2.998 4.130 . 0 0 "[ . 1 . 2]" 1
1076 1 29 THR MG 1 30 ASN HA . . 4.680 4.326 4.046 4.756 0.076 18 0 "[ . 1 . 2]" 1
1077 1 29 THR MG 1 31 ARG H . . 3.500 2.868 2.370 3.441 . 0 0 "[ . 1 . 2]" 1
1078 1 29 THR MG 1 31 ARG HD2 . . 4.900 4.448 3.619 4.984 0.084 12 0 "[ . 1 . 2]" 1
1079 1 29 THR MG 1 31 ARG HD3 . . 4.900 4.386 3.840 4.953 0.053 8 0 "[ . 1 . 2]" 1
1080 1 29 THR MG 1 31 ARG QG . . 3.800 3.323 2.672 3.903 0.103 12 0 "[ . 1 . 2]" 1
1081 1 29 THR MG 1 32 ASP H . . 5.260 4.902 4.741 5.074 . 0 0 "[ . 1 . 2]" 1
1082 1 29 THR MG 1 32 ASP HA . . 4.800 3.556 3.162 4.012 . 0 0 "[ . 1 . 2]" 1
1083 1 29 THR MG 1 33 SER H . . 5.330 5.354 5.140 5.417 0.087 20 0 "[ . 1 . 2]" 1
1084 1 29 THR MG 1 34 ILE HB . . 4.650 4.466 4.252 4.709 0.059 16 0 "[ . 1 . 2]" 1
1085 1 29 THR MG 1 34 ILE HG12 . . 3.900 3.524 3.202 3.840 . 0 0 "[ . 1 . 2]" 1
1086 1 29 THR MG 1 34 ILE MG . . 4.320 2.224 2.017 2.458 . 0 0 "[ . 1 . 2]" 1
1087 1 30 ASN H 1 31 ARG H . . 3.700 2.238 1.759 2.601 . 0 0 "[ . 1 . 2]" 1
1088 1 30 ASN HA 1 30 ASN QD . . 4.350 3.640 2.532 4.138 . 0 0 "[ . 1 . 2]" 1
1089 1 31 ARG H 1 31 ARG QB . . 2.940 2.973 2.718 3.076 0.136 2 0 "[ . 1 . 2]" 1
1090 1 31 ARG H 1 31 ARG HD2 . . 4.130 2.746 1.792 4.194 0.064 14 0 "[ . 1 . 2]" 1
1091 1 31 ARG H 1 31 ARG QD . . 3.620 2.625 1.787 3.462 . 0 0 "[ . 1 . 2]" 1
1092 1 31 ARG H 1 31 ARG HD3 . . 4.130 3.735 2.574 4.206 0.076 20 0 "[ . 1 . 2]" 1
1093 1 31 ARG H 1 31 ARG QG . . 3.740 2.668 2.178 3.096 . 0 0 "[ . 1 . 2]" 1
1094 1 31 ARG H 1 32 ASP H . . 4.570 4.394 4.314 4.524 . 0 0 "[ . 1 . 2]" 1
1095 1 31 ARG HA 1 31 ARG QG . . 3.920 3.459 3.330 3.532 . 0 0 "[ . 1 . 2]" 1
1096 1 31 ARG HA 1 32 ASP HA . . 4.520 4.455 4.371 4.533 0.013 7 0 "[ . 1 . 2]" 1
1097 1 31 ARG HA 1 32 ASP QB . . 4.590 4.289 3.858 4.729 0.139 2 0 "[ . 1 . 2]" 1
1098 1 31 ARG HA 1 33 SER H . . 3.870 3.851 3.497 3.945 0.075 20 0 "[ . 1 . 2]" 1
1099 1 31 ARG QB 1 31 ARG QD . . 3.260 2.427 2.007 2.748 . 0 0 "[ . 1 . 2]" 1
1100 1 31 ARG QB 1 32 ASP H . . 3.590 2.645 2.278 3.088 . 0 0 "[ . 1 . 2]" 1
1101 1 31 ARG QB 1 32 ASP HA . . 4.840 4.635 4.496 4.891 0.051 11 0 "[ . 1 . 2]" 1
1102 1 31 ARG QB 1 33 SER H . . 3.140 2.728 2.507 2.978 . 0 0 "[ . 1 . 2]" 1
1103 1 31 ARG HB2 1 32 ASP H . . 4.260 2.688 2.299 3.174 . 0 0 "[ . 1 . 2]" 1
1104 1 31 ARG HB3 1 32 ASP H . . 4.260 3.965 3.709 4.222 . 0 0 "[ . 1 . 2]" 1
1105 1 31 ARG QD 1 33 SER H . . 5.080 5.107 4.862 5.161 0.081 4 0 "[ . 1 . 2]" 1
1106 1 31 ARG QG 1 32 ASP H . . 4.030 3.616 3.128 4.066 0.036 11 0 "[ . 1 . 2]" 1
1107 1 31 ARG QG 1 33 SER H . . 3.640 3.154 2.831 3.338 . 0 0 "[ . 1 . 2]" 1
1108 1 31 ARG QG 1 34 ILE HA . . 4.410 3.755 3.474 3.967 . 0 0 "[ . 1 . 2]" 1
1109 1 31 ARG QG 1 34 ILE MG . . 5.030 2.240 2.078 2.430 . 0 0 "[ . 1 . 2]" 1
1110 1 32 ASP H 1 32 ASP QB . . 3.260 2.696 2.229 3.174 . 0 0 "[ . 1 . 2]" 1
1111 1 32 ASP H 1 33 SER H . . 3.310 2.032 1.660 2.284 . 0 0 "[ . 1 . 2]" 1
1112 1 32 ASP HA 1 32 ASP QB . . 2.590 2.289 2.146 2.497 . 0 0 "[ . 1 . 2]" 1
1113 1 32 ASP HA 1 33 SER H . . 3.430 3.353 3.238 3.421 . 0 0 "[ . 1 . 2]" 1
1114 1 32 ASP HA 1 33 SER HB2 . . 5.500 5.501 5.326 5.576 0.076 9 0 "[ . 1 . 2]" 1
1115 1 32 ASP HA 1 34 ILE H . . 3.550 3.463 3.228 3.617 0.067 1 0 "[ . 1 . 2]" 1
1116 1 32 ASP HA 1 34 ILE HG12 . . 4.410 4.223 3.665 4.480 0.070 13 0 "[ . 1 . 2]" 1
1117 1 32 ASP HA 1 34 ILE HG13 . . 4.850 4.036 3.796 4.339 . 0 0 "[ . 1 . 2]" 1
1118 1 32 ASP HA 1 34 ILE MG . . 3.500 3.002 2.698 3.309 . 0 0 "[ . 1 . 2]" 1
1119 1 32 ASP QB 1 33 SER H . . 4.000 3.513 3.087 3.912 . 0 0 "[ . 1 . 2]" 1
1120 1 32 ASP QB 1 33 SER HA . . 4.500 4.349 4.055 4.573 0.073 8 0 "[ . 1 . 2]" 1
1121 1 32 ASP QB 1 34 ILE H . . 4.730 4.449 4.268 4.673 . 0 0 "[ . 1 . 2]" 1
1122 1 33 SER H 1 33 SER HB2 . . 3.530 2.378 1.971 2.626 . 0 0 "[ . 1 . 2]" 1
1123 1 33 SER H 1 33 SER HB3 . . 3.680 2.806 2.274 3.626 . 0 0 "[ . 1 . 2]" 1
1124 1 33 SER H 1 34 ILE H . . 4.130 3.217 2.854 3.480 . 0 0 "[ . 1 . 2]" 1
1125 1 33 SER HB2 1 34 ILE H . . 4.590 4.457 3.766 4.619 0.029 4 0 "[ . 1 . 2]" 1
1126 1 33 SER HB3 1 34 ILE H . . 4.310 4.276 3.972 4.378 0.068 20 0 "[ . 1 . 2]" 1
1127 1 33 SER HB3 1 34 ILE MG . . 5.210 4.820 4.468 5.298 0.088 18 0 "[ . 1 . 2]" 1
1128 1 34 ILE H 1 34 ILE HB . . 3.710 3.618 3.535 3.682 . 0 0 "[ . 1 . 2]" 1
1129 1 34 ILE H 1 34 ILE HG12 . . 3.420 3.325 3.015 3.473 0.053 4 0 "[ . 1 . 2]" 1
1130 1 34 ILE H 1 34 ILE HG13 . . 3.450 2.147 1.934 2.383 . 0 0 "[ . 1 . 2]" 1
1131 1 34 ILE H 1 34 ILE MG . . 3.580 2.228 1.904 2.481 . 0 0 "[ . 1 . 2]" 1
1132 1 34 ILE H 1 35 PRO HD3 . . 5.240 5.190 5.037 5.298 0.058 18 0 "[ . 1 . 2]" 1
1133 1 34 ILE HB 1 34 ILE MD . . 3.700 2.246 2.138 2.323 . 0 0 "[ . 1 . 2]" 1
1134 1 34 ILE HB 1 35 PRO HD2 . . 4.330 2.080 1.877 2.153 . 0 0 "[ . 1 . 2]" 1
1135 1 34 ILE HB 1 35 PRO HD3 . . 4.410 3.477 3.309 3.593 . 0 0 "[ . 1 . 2]" 1
1136 1 34 ILE HB 1 38 LEU H . . 5.500 5.528 5.424 5.565 0.065 13 0 "[ . 1 . 2]" 1
1137 1 34 ILE HB 1 42 TRP HH2 . . 4.730 4.191 3.672 4.598 . 0 0 "[ . 1 . 2]" 1
1138 1 34 ILE MD 1 35 PRO HA . . 4.710 3.945 3.847 4.047 . 0 0 "[ . 1 . 2]" 1
1139 1 34 ILE MD 1 35 PRO HB2 . . 4.680 4.722 4.413 4.761 0.081 1 0 "[ . 1 . 2]" 1
1140 1 34 ILE MD 1 35 PRO HD2 . . 4.120 3.164 2.948 3.286 . 0 0 "[ . 1 . 2]" 1
1141 1 34 ILE MD 1 35 PRO HD3 . . 4.800 4.324 4.150 4.421 . 0 0 "[ . 1 . 2]" 1
1142 1 34 ILE MD 1 35 PRO HG2 . . 4.380 3.705 3.500 3.846 . 0 0 "[ . 1 . 2]" 1
1143 1 34 ILE MD 1 36 SER H . . 4.000 4.008 3.847 4.083 0.083 13 0 "[ . 1 . 2]" 1
1144 1 34 ILE MD 1 36 SER HA . . 4.050 3.062 2.816 3.375 . 0 0 "[ . 1 . 2]" 1
1145 1 34 ILE MD 1 37 GLU H . . 4.780 4.785 4.646 4.859 0.079 4 0 "[ . 1 . 2]" 1
1146 1 34 ILE MD 1 38 LEU H . . 4.540 3.744 3.667 3.897 . 0 0 "[ . 1 . 2]" 1
1147 1 34 ILE MD 1 38 LEU HA . . 4.970 5.027 4.966 5.055 0.085 20 0 "[ . 1 . 2]" 1
1148 1 34 ILE MD 1 38 LEU HB2 . . 3.850 2.634 2.509 2.760 . 0 0 "[ . 1 . 2]" 1
1149 1 34 ILE MD 1 39 LEU H . . 4.070 3.150 2.940 3.300 . 0 0 "[ . 1 . 2]" 1
1150 1 34 ILE MD 1 39 LEU HA . . 4.820 4.350 4.082 4.590 . 0 0 "[ . 1 . 2]" 1
1151 1 34 ILE MD 1 42 TRP HE3 . . 4.890 4.773 4.403 4.969 0.079 20 0 "[ . 1 . 2]" 1
1152 1 34 ILE MD 1 42 TRP HH2 . . 4.510 3.289 2.990 3.566 . 0 0 "[ . 1 . 2]" 1
1153 1 34 ILE MD 1 42 TRP HZ2 . . 4.810 4.675 4.446 4.868 0.058 10 0 "[ . 1 . 2]" 1
1154 1 34 ILE MD 1 42 TRP HZ3 . . 4.010 3.325 2.914 3.636 . 0 0 "[ . 1 . 2]" 1
1155 1 34 ILE HG12 1 35 PRO HD2 . . 4.620 4.644 4.545 4.690 0.070 8 0 "[ . 1 . 2]" 1
1156 1 34 ILE HG12 1 38 LEU HB3 . . 5.500 5.397 5.165 5.550 0.050 3 0 "[ . 1 . 2]" 1
1157 1 34 ILE HG12 1 42 TRP HH2 . . 4.650 3.920 3.570 4.480 . 0 0 "[ . 1 . 2]" 1
1158 1 34 ILE MG 1 35 PRO HD2 . . 4.140 3.417 3.207 3.524 . 0 0 "[ . 1 . 2]" 1
1159 1 34 ILE MG 1 35 PRO HD3 . . 4.410 4.045 3.856 4.149 . 0 0 "[ . 1 . 2]" 1
1160 1 34 ILE MG 1 42 TRP HH2 . . 4.360 3.920 3.522 4.308 . 0 0 "[ . 1 . 2]" 1
1161 1 35 PRO HA 1 36 SER H . . 2.680 2.208 2.112 2.296 . 0 0 "[ . 1 . 2]" 1
1162 1 35 PRO HA 1 37 GLU H . . 3.960 3.810 3.717 3.916 . 0 0 "[ . 1 . 2]" 1
1163 1 35 PRO HA 1 37 GLU HB3 . . 5.490 5.521 5.285 5.563 0.073 18 0 "[ . 1 . 2]" 1
1164 1 35 PRO HA 1 38 LEU H . . 4.900 4.877 4.713 4.962 0.062 16 0 "[ . 1 . 2]" 1
1165 1 35 PRO HA 1 38 LEU MD1 . . 5.390 5.388 5.146 5.474 0.084 11 0 "[ . 1 . 2]" 1
1166 1 35 PRO HA 1 38 LEU MD2 . . 5.360 5.313 5.160 5.397 0.037 17 0 "[ . 1 . 2]" 1
1167 1 35 PRO HB2 1 36 SER H . . 3.800 3.473 3.290 3.624 . 0 0 "[ . 1 . 2]" 1
1168 1 35 PRO HB2 1 37 GLU H . . 3.990 2.627 2.367 2.815 . 0 0 "[ . 1 . 2]" 1
1169 1 35 PRO HB2 1 38 LEU H . . 3.930 3.414 3.104 3.572 . 0 0 "[ . 1 . 2]" 1
1170 1 35 PRO HB2 1 38 LEU HB2 . . 4.590 4.422 3.998 4.593 0.003 16 0 "[ . 1 . 2]" 1
1171 1 35 PRO HB2 1 38 LEU MD1 . . 3.840 3.494 3.088 3.637 . 0 0 "[ . 1 . 2]" 1
1172 1 35 PRO HB2 1 38 LEU MD2 . . 4.360 4.395 4.164 4.441 0.081 4 0 "[ . 1 . 2]" 1
1173 1 35 PRO HB3 1 36 SER H . . 4.100 4.059 3.900 4.163 0.063 3 0 "[ . 1 . 2]" 1
1174 1 35 PRO HB3 1 37 GLU H . . 4.300 4.226 4.004 4.352 0.052 7 0 "[ . 1 . 2]" 1
1175 1 35 PRO HB3 1 38 LEU H . . 5.060 4.971 4.765 5.114 0.054 6 0 "[ . 1 . 2]" 1
1176 1 35 PRO HB3 1 38 LEU MD1 . . 4.420 4.418 4.160 4.499 0.079 13 0 "[ . 1 . 2]" 1
1177 1 35 PRO HB3 1 38 LEU MD2 . . 4.690 4.743 4.649 4.778 0.088 4 0 "[ . 1 . 2]" 1
1178 1 35 PRO HD2 1 38 LEU MD1 . . 3.950 3.825 3.666 3.899 . 0 0 "[ . 1 . 2]" 1
1179 1 35 PRO HD2 1 38 LEU MD2 . . 4.460 2.270 2.168 2.399 . 0 0 "[ . 1 . 2]" 1
1180 1 35 PRO HD3 1 38 LEU MD1 . . 4.500 4.555 4.457 4.580 0.080 17 0 "[ . 1 . 2]" 1
1181 1 35 PRO HD3 1 38 LEU MD2 . . 4.560 3.603 3.457 3.741 . 0 0 "[ . 1 . 2]" 1
1182 1 35 PRO HG2 1 37 GLU H . . 4.570 4.047 3.804 4.440 . 0 0 "[ . 1 . 2]" 1
1183 1 35 PRO HG2 1 38 LEU H . . 4.380 2.912 2.639 3.111 . 0 0 "[ . 1 . 2]" 1
1184 1 35 PRO HG2 1 38 LEU MD1 . . 3.460 2.119 1.974 2.192 . 0 0 "[ . 1 . 2]" 1
1185 1 35 PRO HG3 1 38 LEU MD1 . . 4.120 2.870 2.702 2.990 . 0 0 "[ . 1 . 2]" 1
1186 1 36 SER H 1 36 SER HA . . 2.890 2.815 2.768 2.860 . 0 0 "[ . 1 . 2]" 1
1187 1 36 SER H 1 37 GLU H . . 3.480 2.785 2.621 2.901 . 0 0 "[ . 1 . 2]" 1
1188 1 36 SER H 1 38 LEU H . . 4.660 4.494 4.353 4.584 . 0 0 "[ . 1 . 2]" 1
1189 1 36 SER HA 1 37 GLU H . . 3.500 3.493 3.413 3.532 0.032 12 0 "[ . 1 . 2]" 1
1190 1 36 SER HA 1 38 LEU H . . 4.020 3.832 3.630 4.067 0.047 4 0 "[ . 1 . 2]" 1
1191 1 36 SER HA 1 39 LEU H . . 3.710 3.250 2.773 3.608 . 0 0 "[ . 1 . 2]" 1
1192 1 36 SER HA 1 39 LEU MD1 . . 3.260 2.490 2.215 2.872 . 0 0 "[ . 1 . 2]" 1
1193 1 36 SER HA 1 40 GLU H . . 4.670 4.435 4.023 4.744 0.074 18 0 "[ . 1 . 2]" 1
1194 1 36 SER QB 1 37 GLU H . . 3.470 3.145 2.864 3.554 0.084 18 0 "[ . 1 . 2]" 1
1195 1 36 SER QB 1 39 LEU H . . 5.350 4.717 4.365 5.156 . 0 0 "[ . 1 . 2]" 1
1196 1 37 GLU H 1 37 GLU HB3 . . 2.960 2.317 2.224 2.402 . 0 0 "[ . 1 . 2]" 1
1197 1 37 GLU H 1 37 GLU QG . . 3.220 2.600 2.412 2.777 . 0 0 "[ . 1 . 2]" 1
1198 1 37 GLU H 1 38 LEU H . . 3.280 2.726 2.589 2.844 . 0 0 "[ . 1 . 2]" 1
1199 1 37 GLU H 1 38 LEU HA . . 5.500 5.350 5.215 5.456 . 0 0 "[ . 1 . 2]" 1
1200 1 37 GLU H 1 38 LEU HB2 . . 4.720 4.617 4.456 4.762 0.042 20 0 "[ . 1 . 2]" 1
1201 1 37 GLU H 1 38 LEU MD1 . . 4.540 4.357 4.224 4.483 . 0 0 "[ . 1 . 2]" 1
1202 1 37 GLU H 1 38 LEU MD2 . . 5.500 5.522 5.359 5.594 0.094 2 0 "[ . 1 . 2]" 1
1203 1 37 GLU H 1 39 LEU H . . 4.710 4.488 4.201 4.684 . 0 0 "[ . 1 . 2]" 1
1204 1 37 GLU H 1 40 GLU H . . 5.370 4.931 4.811 5.102 . 0 0 "[ . 1 . 2]" 1
1205 1 37 GLU HA 1 37 GLU HB2 . . 2.830 2.338 2.280 2.392 . 0 0 "[ . 1 . 2]" 1
1206 1 37 GLU HA 1 37 GLU QG . . 3.690 3.365 3.304 3.486 . 0 0 "[ . 1 . 2]" 1
1207 1 37 GLU HA 1 38 LEU MD1 . . 4.880 4.825 4.677 4.957 0.077 4 0 "[ . 1 . 2]" 1
1208 1 37 GLU HA 1 39 LEU H . . 5.500 4.646 4.413 4.916 . 0 0 "[ . 1 . 2]" 1
1209 1 37 GLU HA 1 40 GLU QB . . 3.330 2.647 2.411 3.234 . 0 0 "[ . 1 . 2]" 1
1210 1 37 GLU HA 1 40 GLU QG . . 4.210 3.141 2.676 3.905 . 0 0 "[ . 1 . 2]" 1
1211 1 37 GLU HA 1 41 GLU H . . 4.260 3.841 3.553 4.048 . 0 0 "[ . 1 . 2]" 1
1212 1 37 GLU HB2 1 38 LEU H . . 4.340 4.134 4.025 4.215 . 0 0 "[ . 1 . 2]" 1
1213 1 37 GLU HB2 1 38 LEU HA . . 5.270 4.930 4.789 5.175 . 0 0 "[ . 1 . 2]" 1
1214 1 37 GLU HB2 1 38 LEU MD1 . . 4.100 4.171 4.108 4.197 0.097 18 0 "[ . 1 . 2]" 1
1215 1 37 GLU HB3 1 38 LEU H . . 4.610 3.944 3.813 4.039 . 0 0 "[ . 1 . 2]" 1
1216 1 37 GLU QG 1 38 LEU H . . 3.610 2.357 2.119 2.643 . 0 0 "[ . 1 . 2]" 1
1217 1 37 GLU QG 1 38 LEU HA . . 4.520 3.304 3.107 3.679 . 0 0 "[ . 1 . 2]" 1
1218 1 37 GLU QG 1 39 LEU H . . 5.340 4.685 4.508 4.836 . 0 0 "[ . 1 . 2]" 1
1219 1 37 GLU HG2 1 38 LEU HA . . 5.240 4.263 3.894 5.308 0.068 8 0 "[ . 1 . 2]" 1
1220 1 37 GLU HG3 1 38 LEU HA . . 5.240 3.455 3.243 3.751 . 0 0 "[ . 1 . 2]" 1
1221 1 38 LEU H 1 38 LEU HB2 . . 3.240 2.140 2.095 2.232 . 0 0 "[ . 1 . 2]" 1
1222 1 38 LEU H 1 38 LEU HB3 . . 3.570 3.444 3.392 3.525 . 0 0 "[ . 1 . 2]" 1
1223 1 38 LEU H 1 38 LEU MD1 . . 3.330 2.731 2.625 2.902 . 0 0 "[ . 1 . 2]" 1
1224 1 38 LEU H 1 38 LEU MD2 . . 3.820 3.709 3.582 3.788 . 0 0 "[ . 1 . 2]" 1
1225 1 38 LEU H 1 39 LEU H . . 3.090 2.652 2.512 2.772 . 0 0 "[ . 1 . 2]" 1
1226 1 38 LEU H 1 39 LEU HA . . 5.500 5.281 5.174 5.387 . 0 0 "[ . 1 . 2]" 1
1227 1 38 LEU H 1 39 LEU HB2 . . 4.790 4.693 4.505 4.837 0.047 1 0 "[ . 1 . 2]" 1
1228 1 38 LEU H 1 39 LEU HG . . 5.120 4.671 4.162 5.068 . 0 0 "[ . 1 . 2]" 1
1229 1 38 LEU H 1 40 GLU H . . 4.280 3.953 3.832 4.154 . 0 0 "[ . 1 . 2]" 1
1230 1 38 LEU H 1 41 GLU H . . 4.790 4.739 4.619 4.842 0.052 3 0 "[ . 1 . 2]" 1
1231 1 38 LEU HA 1 38 LEU MD1 . . 3.070 2.141 1.950 2.369 . 0 0 "[ . 1 . 2]" 1
1232 1 38 LEU HA 1 38 LEU MD2 . . 3.920 3.779 3.720 3.847 . 0 0 "[ . 1 . 2]" 1
1233 1 38 LEU HA 1 38 LEU HG . . 3.150 2.634 2.531 2.730 . 0 0 "[ . 1 . 2]" 1
1234 1 38 LEU HA 1 40 GLU H . . 4.800 4.212 4.036 4.419 . 0 0 "[ . 1 . 2]" 1
1235 1 38 LEU HA 1 40 GLU QB . . 5.500 5.047 4.825 5.470 . 0 0 "[ . 1 . 2]" 1
1236 1 38 LEU HA 1 41 GLU H . . 3.580 3.546 3.443 3.640 0.060 20 0 "[ . 1 . 2]" 1
1237 1 38 LEU HA 1 41 GLU HB2 . . 3.920 3.704 3.146 3.966 0.046 16 0 "[ . 1 . 2]" 1
1238 1 38 LEU HA 1 41 GLU HB3 . . 3.700 3.331 3.065 3.608 . 0 0 "[ . 1 . 2]" 1
1239 1 38 LEU HA 1 41 GLU QG . . 5.090 4.945 4.626 5.171 0.081 1 0 "[ . 1 . 2]" 1
1240 1 38 LEU HA 1 42 TRP H . . 4.120 3.660 3.520 3.919 . 0 0 "[ . 1 . 2]" 1
1241 1 38 LEU HA 1 42 TRP HD1 . . 4.990 4.500 4.303 4.847 . 0 0 "[ . 1 . 2]" 1
1242 1 38 LEU HA 1 42 TRP HE1 . . 5.260 4.040 3.785 4.253 . 0 0 "[ . 1 . 2]" 1
1243 1 38 LEU HA 1 42 TRP HZ2 . . 4.890 4.880 4.708 4.950 0.060 1 0 "[ . 1 . 2]" 1
1244 1 38 LEU HB2 1 38 LEU MD1 . . 3.580 2.668 2.510 2.744 . 0 0 "[ . 1 . 2]" 1
1245 1 38 LEU HB2 1 38 LEU MD2 . . 3.320 2.245 2.119 2.345 . 0 0 "[ . 1 . 2]" 1
1246 1 38 LEU HB2 1 39 LEU H . . 3.790 2.822 2.687 3.008 . 0 0 "[ . 1 . 2]" 1
1247 1 38 LEU HB2 1 39 LEU HG . . 4.800 4.067 3.818 4.353 . 0 0 "[ . 1 . 2]" 1
1248 1 38 LEU HB3 1 38 LEU MD2 . . 3.410 2.425 2.302 2.528 . 0 0 "[ . 1 . 2]" 1
1249 1 38 LEU HB3 1 39 LEU H . . 4.240 3.065 2.873 3.211 . 0 0 "[ . 1 . 2]" 1
1250 1 38 LEU HB3 1 42 TRP HE1 . . 4.360 3.890 3.577 4.068 . 0 0 "[ . 1 . 2]" 1
1251 1 38 LEU HB3 1 42 TRP HH2 . . 3.410 3.236 3.103 3.353 . 0 0 "[ . 1 . 2]" 1
1252 1 38 LEU HB3 1 42 TRP HZ2 . . 3.160 2.961 2.711 3.132 . 0 0 "[ . 1 . 2]" 1
1253 1 38 LEU HB3 1 42 TRP HZ3 . . 4.580 3.823 3.610 4.049 . 0 0 "[ . 1 . 2]" 1
1254 1 38 LEU MD1 1 41 GLU H . . 5.120 4.866 4.769 5.059 . 0 0 "[ . 1 . 2]" 1
1255 1 38 LEU MD1 1 41 GLU HB3 . . 4.600 4.203 3.891 4.437 . 0 0 "[ . 1 . 2]" 1
1256 1 38 LEU MD2 1 42 TRP HE1 . . 4.740 3.896 3.550 4.070 . 0 0 "[ . 1 . 2]" 1
1257 1 38 LEU MD2 1 42 TRP HH2 . . 4.380 2.973 2.538 3.301 . 0 0 "[ . 1 . 2]" 1
1258 1 38 LEU MD2 1 42 TRP HZ2 . . 3.870 2.244 2.032 2.403 . 0 0 "[ . 1 . 2]" 1
1259 1 38 LEU HG 1 42 TRP HE1 . . 3.390 2.719 2.422 2.908 . 0 0 "[ . 1 . 2]" 1
1260 1 38 LEU HG 1 42 TRP HZ2 . . 2.770 2.790 2.492 2.836 0.066 16 0 "[ . 1 . 2]" 1
1261 1 39 LEU H 1 39 LEU HB2 . . 3.550 2.451 2.318 2.609 . 0 0 "[ . 1 . 2]" 1
1262 1 39 LEU H 1 39 LEU HB3 . . 3.590 3.614 3.574 3.648 0.058 13 0 "[ . 1 . 2]" 1
1263 1 39 LEU H 1 39 LEU MD1 . . 4.010 3.387 3.094 3.653 . 0 0 "[ . 1 . 2]" 1
1264 1 39 LEU H 1 39 LEU MD2 . . 3.900 3.685 3.342 3.914 0.014 5 0 "[ . 1 . 2]" 1
1265 1 39 LEU H 1 39 LEU HG . . 3.430 2.375 2.083 2.615 . 0 0 "[ . 1 . 2]" 1
1266 1 39 LEU H 1 40 GLU H . . 3.290 2.731 2.613 2.837 . 0 0 "[ . 1 . 2]" 1
1267 1 39 LEU H 1 40 GLU QB . . 5.310 4.735 4.516 5.143 . 0 0 "[ . 1 . 2]" 1
1268 1 39 LEU H 1 40 GLU HG2 . . 5.500 4.952 4.350 5.570 0.070 18 0 "[ . 1 . 2]" 1
1269 1 39 LEU H 1 40 GLU HG3 . . 5.500 5.074 4.056 5.567 0.067 3 0 "[ . 1 . 2]" 1
1270 1 39 LEU H 1 41 GLU H . . 4.560 4.557 4.352 4.621 0.061 12 0 "[ . 1 . 2]" 1
1271 1 39 LEU H 1 42 TRP H . . 5.230 4.791 4.726 4.839 . 0 0 "[ . 1 . 2]" 1
1272 1 39 LEU H 1 42 TRP HE3 . . 5.230 4.517 4.425 4.627 . 0 0 "[ . 1 . 2]" 1
1273 1 39 LEU HA 1 39 LEU MD1 . . 3.910 3.892 3.816 3.969 0.059 18 0 "[ . 1 . 2]" 1
1274 1 39 LEU HA 1 39 LEU MD2 . . 3.080 2.227 2.139 2.364 . 0 0 "[ . 1 . 2]" 1
1275 1 39 LEU HA 1 39 LEU HG . . 3.750 2.849 2.605 3.154 . 0 0 "[ . 1 . 2]" 1
1276 1 39 LEU HA 1 41 GLU H . . 4.970 4.976 4.820 5.030 0.060 18 0 "[ . 1 . 2]" 1
1277 1 39 LEU HA 1 42 TRP H . . 3.900 3.858 3.722 3.954 0.054 15 0 "[ . 1 . 2]" 1
1278 1 39 LEU HA 1 42 TRP HE3 . . 3.650 2.295 2.150 2.455 . 0 0 "[ . 1 . 2]" 1
1279 1 39 LEU HB2 1 39 LEU MD1 . . 3.580 2.236 2.070 2.277 . 0 0 "[ . 1 . 2]" 1
1280 1 39 LEU HB2 1 40 GLU H . . 3.420 2.759 2.444 2.888 . 0 0 "[ . 1 . 2]" 1
1281 1 39 LEU HB3 1 39 LEU MD1 . . 3.290 2.517 2.409 2.612 . 0 0 "[ . 1 . 2]" 1
1282 1 39 LEU HB3 1 39 LEU MD2 . . 3.610 2.324 2.131 2.398 . 0 0 "[ . 1 . 2]" 1
1283 1 39 LEU HB3 1 40 GLU H . . 3.780 3.651 3.381 3.827 0.047 8 0 "[ . 1 . 2]" 1
1284 1 39 LEU MD1 1 40 GLU H . . 4.490 4.521 4.332 4.573 0.083 3 0 "[ . 1 . 2]" 1
1285 1 39 LEU MD2 1 42 TRP HE3 . . 3.530 2.379 2.204 2.539 . 0 0 "[ . 1 . 2]" 1
1286 1 39 LEU MD2 1 42 TRP HZ3 . . 3.730 2.365 2.122 2.655 . 0 0 "[ . 1 . 2]" 1
1287 1 39 LEU HG 1 40 GLU H . . 4.630 4.508 4.219 4.681 0.051 17 0 "[ . 1 . 2]" 1
1288 1 40 GLU H 1 40 GLU QB . . 2.760 2.382 2.224 2.632 . 0 0 "[ . 1 . 2]" 1
1289 1 40 GLU H 1 40 GLU HG2 . . 4.140 2.762 2.298 3.347 . 0 0 "[ . 1 . 2]" 1
1290 1 40 GLU H 1 40 GLU QG . . 3.500 2.368 2.120 2.622 . 0 0 "[ . 1 . 2]" 1
1291 1 40 GLU H 1 40 GLU HG3 . . 4.140 2.973 2.144 3.576 . 0 0 "[ . 1 . 2]" 1
1292 1 40 GLU H 1 41 GLU H . . 3.200 2.711 2.585 2.805 . 0 0 "[ . 1 . 2]" 1
1293 1 40 GLU H 1 41 GLU HA . . 5.470 5.262 5.134 5.355 . 0 0 "[ . 1 . 2]" 1
1294 1 40 GLU H 1 41 GLU HB2 . . 4.830 4.793 4.585 4.896 0.066 17 0 "[ . 1 . 2]" 1
1295 1 40 GLU H 1 42 TRP H . . 4.170 3.931 3.798 4.109 . 0 0 "[ . 1 . 2]" 1
1296 1 40 GLU HA 1 40 GLU HG2 . . 3.730 2.574 2.216 2.910 . 0 0 "[ . 1 . 2]" 1
1297 1 40 GLU HA 1 40 GLU QG . . 3.070 2.514 2.187 2.821 . 0 0 "[ . 1 . 2]" 1
1298 1 40 GLU HA 1 40 GLU HG3 . . 3.730 3.546 2.957 3.792 0.062 14 0 "[ . 1 . 2]" 1
1299 1 40 GLU HA 1 42 TRP H . . 4.580 4.473 4.352 4.603 0.023 19 0 "[ . 1 . 2]" 1
1300 1 40 GLU HA 1 43 LYS H . . 3.760 3.601 3.302 3.790 0.030 3 0 "[ . 1 . 2]" 1
1301 1 40 GLU HA 1 43 LYS HB3 . . 3.330 3.087 2.591 3.382 0.052 3 0 "[ . 1 . 2]" 1
1302 1 40 GLU HA 1 44 GLN H . . 4.560 4.307 4.025 4.600 0.040 16 0 "[ . 1 . 2]" 1
1303 1 40 GLU QB 1 41 GLU H . . 3.070 2.392 2.144 2.773 . 0 0 "[ . 1 . 2]" 1
1304 1 40 GLU QB 1 41 GLU HA . . 4.220 3.871 3.747 4.066 . 0 0 "[ . 1 . 2]" 1
1305 1 40 GLU QB 1 42 TRP H . . 4.950 4.568 4.438 4.783 . 0 0 "[ . 1 . 2]" 1
1306 1 40 GLU QB 1 43 LYS H . . 5.500 4.889 4.721 5.066 . 0 0 "[ . 1 . 2]" 1
1307 1 40 GLU HG2 1 41 GLU H . . 5.500 4.612 4.285 4.972 . 0 0 "[ . 1 . 2]" 1
1308 1 40 GLU HG3 1 41 GLU H . . 5.500 4.498 4.143 4.813 . 0 0 "[ . 1 . 2]" 1
1309 1 41 GLU H 1 41 GLU HB2 . . 3.070 2.221 2.121 2.344 . 0 0 "[ . 1 . 2]" 1
1310 1 41 GLU H 1 41 GLU HB3 . . 3.200 2.918 2.787 3.064 . 0 0 "[ . 1 . 2]" 1
1311 1 41 GLU H 1 41 GLU QG . . 4.220 3.986 3.667 4.101 . 0 0 "[ . 1 . 2]" 1
1312 1 41 GLU H 1 42 TRP H . . 3.030 2.727 2.603 2.804 . 0 0 "[ . 1 . 2]" 1
1313 1 41 GLU H 1 42 TRP HA . . 5.500 5.334 5.248 5.380 . 0 0 "[ . 1 . 2]" 1
1314 1 41 GLU H 1 42 TRP HD1 . . 5.500 5.536 5.420 5.565 0.065 10 0 "[ . 1 . 2]" 1
1315 1 41 GLU H 1 43 LYS H . . 4.560 4.281 4.128 4.452 . 0 0 "[ . 1 . 2]" 1
1316 1 41 GLU H 1 44 GLN H . . 4.770 4.725 4.615 4.825 0.055 20 0 "[ . 1 . 2]" 1
1317 1 41 GLU HA 1 41 GLU QG . . 3.190 2.433 2.016 2.725 . 0 0 "[ . 1 . 2]" 1
1318 1 41 GLU HA 1 43 LYS H . . 4.970 4.226 3.931 4.541 . 0 0 "[ . 1 . 2]" 1
1319 1 41 GLU HA 1 44 GLN H . . 3.730 3.199 2.970 3.435 . 0 0 "[ . 1 . 2]" 1
1320 1 41 GLU HA 1 44 GLN HB2 . . 2.900 2.254 2.119 2.433 . 0 0 "[ . 1 . 2]" 1
1321 1 41 GLU HA 1 44 GLN HB3 . . 4.150 3.829 3.692 3.991 . 0 0 "[ . 1 . 2]" 1
1322 1 41 GLU HA 1 44 GLN HE21 . . 5.500 3.219 1.924 4.410 . 0 0 "[ . 1 . 2]" 1
1323 1 41 GLU HA 1 44 GLN QE . . 4.680 2.824 1.896 3.812 . 0 0 "[ . 1 . 2]" 1
1324 1 41 GLU HA 1 44 GLN HE22 . . 5.500 3.261 2.569 4.170 . 0 0 "[ . 1 . 2]" 1
1325 1 41 GLU HA 1 45 HIS H . . 4.360 3.867 3.688 4.028 . 0 0 "[ . 1 . 2]" 1
1326 1 41 GLU HA 1 45 HIS HD2 . . 3.740 3.201 2.819 3.721 . 0 0 "[ . 1 . 2]" 1
1327 1 41 GLU HB2 1 42 TRP H . . 3.810 3.719 3.475 3.861 0.051 1 0 "[ . 1 . 2]" 1
1328 1 41 GLU HB3 1 42 TRP H . . 3.260 2.835 2.590 3.011 . 0 0 "[ . 1 . 2]" 1
1329 1 41 GLU HB3 1 42 TRP HA . . 4.400 4.096 3.858 4.229 . 0 0 "[ . 1 . 2]" 1
1330 1 41 GLU HB3 1 42 TRP HD1 . . 3.760 3.678 3.442 3.800 0.040 6 0 "[ . 1 . 2]" 1
1331 1 41 GLU HB3 1 42 TRP HE1 . . 4.870 4.825 4.588 4.940 0.070 19 0 "[ . 1 . 2]" 1
1332 1 41 GLU QG 1 42 TRP H . . 4.540 4.219 4.031 4.580 0.040 19 0 "[ . 1 . 2]" 1
1333 1 41 GLU QG 1 45 HIS HB2 . . 4.550 3.667 3.279 4.647 0.097 19 0 "[ . 1 . 2]" 1
1334 1 41 GLU QG 1 45 HIS HD2 . . 3.530 2.378 2.015 3.384 . 0 0 "[ . 1 . 2]" 1
1335 1 41 GLU QG 1 45 HIS HE1 . . 5.420 5.304 4.883 5.503 0.083 17 0 "[ . 1 . 2]" 1
1336 1 42 TRP H 1 42 TRP HB2 . . 3.310 2.426 2.343 2.523 . 0 0 "[ . 1 . 2]" 1
1337 1 42 TRP H 1 42 TRP HB3 . . 3.800 3.569 3.519 3.625 . 0 0 "[ . 1 . 2]" 1
1338 1 42 TRP H 1 42 TRP HD1 . . 3.480 3.280 3.174 3.371 . 0 0 "[ . 1 . 2]" 1
1339 1 42 TRP H 1 42 TRP HE1 . . 5.130 4.879 4.768 5.013 . 0 0 "[ . 1 . 2]" 1
1340 1 42 TRP H 1 43 LYS H . . 3.270 2.745 2.650 2.930 . 0 0 "[ . 1 . 2]" 1
1341 1 42 TRP H 1 43 LYS HB2 . . 5.500 5.242 4.731 5.558 0.058 13 0 "[ . 1 . 2]" 1
1342 1 42 TRP H 1 43 LYS HB3 . . 5.390 4.873 4.556 5.169 . 0 0 "[ . 1 . 2]" 1
1343 1 42 TRP H 1 44 GLN H . . 4.360 4.024 3.902 4.180 . 0 0 "[ . 1 . 2]" 1
1344 1 42 TRP H 1 45 HIS H . . 4.900 4.838 4.767 4.957 0.057 14 0 "[ . 1 . 2]" 1
1345 1 42 TRP H 1 49 LEU QD . . 4.450 4.130 4.023 4.206 . 0 0 "[ . 1 . 2]" 1
1346 1 42 TRP HA 1 42 TRP HD1 . . 3.140 2.221 2.125 2.300 . 0 0 "[ . 1 . 2]" 1
1347 1 42 TRP HA 1 42 TRP HE1 . . 4.720 4.716 4.641 4.774 0.054 20 0 "[ . 1 . 2]" 1
1348 1 42 TRP HA 1 42 TRP HE3 . . 5.500 5.262 5.187 5.314 . 0 0 "[ . 1 . 2]" 1
1349 1 42 TRP HA 1 44 GLN H . . 4.670 4.354 4.180 4.531 . 0 0 "[ . 1 . 2]" 1
1350 1 42 TRP HA 1 45 HIS H . . 3.980 3.728 3.574 3.956 . 0 0 "[ . 1 . 2]" 1
1351 1 42 TRP HA 1 46 LYS H . . 4.880 4.683 4.442 4.927 0.047 13 0 "[ . 1 . 2]" 1
1352 1 42 TRP HA 1 49 LEU QD . . 3.270 2.029 1.946 2.083 . 0 0 "[ . 1 . 2]" 1
1353 1 42 TRP HB2 1 42 TRP HE3 . . 4.100 2.680 2.592 2.788 . 0 0 "[ . 1 . 2]" 1
1354 1 42 TRP HB2 1 43 LYS H . . 3.530 2.655 2.463 2.770 . 0 0 "[ . 1 . 2]" 1
1355 1 42 TRP HB2 1 44 GLN H . . 4.860 4.868 4.749 4.932 0.072 10 0 "[ . 1 . 2]" 1
1356 1 42 TRP HB2 1 49 LEU QD . . 4.820 4.180 4.123 4.265 . 0 0 "[ . 1 . 2]" 1
1357 1 42 TRP HB3 1 42 TRP HE3 . . 4.020 3.260 3.106 3.359 . 0 0 "[ . 1 . 2]" 1
1358 1 42 TRP HB3 1 43 LYS H . . 3.520 3.559 3.419 3.592 0.072 7 0 "[ . 1 . 2]" 1
1359 1 42 TRP HB3 1 43 LYS HA . . 4.300 4.329 4.271 4.360 0.060 13 0 "[ . 1 . 2]" 1
1360 1 42 TRP HB3 1 44 GLN H . . 5.500 5.418 5.265 5.538 0.038 10 0 "[ . 1 . 2]" 1
1361 1 42 TRP HB3 1 49 LEU HB3 . . 5.500 5.563 5.508 5.577 0.077 13 0 "[ . 1 . 2]" 1
1362 1 42 TRP HB3 1 49 LEU QD . . 4.210 3.227 3.050 3.363 . 0 0 "[ . 1 . 2]" 1
1363 1 42 TRP HD1 1 43 LYS H . . 5.420 5.197 5.093 5.325 . 0 0 "[ . 1 . 2]" 1
1364 1 42 TRP HD1 1 49 LEU MD1 . . 3.540 2.436 2.295 2.637 . 0 0 "[ . 1 . 2]" 1
1365 1 42 TRP HD1 1 49 LEU QD . . 3.060 2.397 2.269 2.566 . 0 0 "[ . 1 . 2]" 1
1366 1 42 TRP HD1 1 49 LEU MD2 . . 3.540 3.586 3.333 3.632 0.092 14 0 "[ . 1 . 2]" 1
1367 1 42 TRP HE1 1 49 LEU QD . . 4.670 3.888 3.707 4.099 . 0 0 "[ . 1 . 2]" 1
1368 1 43 LYS H 1 43 LYS HB2 . . 3.180 2.670 2.399 3.060 . 0 0 "[ . 1 . 2]" 1
1369 1 43 LYS H 1 43 LYS HB3 . . 2.940 2.367 2.103 2.652 . 0 0 "[ . 1 . 2]" 1
1370 1 43 LYS H 1 43 LYS HD2 . . 5.500 4.663 3.984 5.090 . 0 0 "[ . 1 . 2]" 1
1371 1 43 LYS H 1 43 LYS HD3 . . 5.500 4.838 4.058 5.578 0.078 16 0 "[ . 1 . 2]" 1
1372 1 43 LYS H 1 43 LYS HG2 . . 5.130 4.471 4.333 4.657 . 0 0 "[ . 1 . 2]" 1
1373 1 43 LYS H 1 43 LYS QG . . 4.370 4.022 3.942 4.098 . 0 0 "[ . 1 . 2]" 1
1374 1 43 LYS H 1 43 LYS HG3 . . 5.130 4.568 4.393 4.699 . 0 0 "[ . 1 . 2]" 1
1375 1 43 LYS H 1 44 GLN H . . 3.210 2.424 2.218 2.651 . 0 0 "[ . 1 . 2]" 1
1376 1 43 LYS H 1 44 GLN HB2 . . 4.730 4.492 4.272 4.726 . 0 0 "[ . 1 . 2]" 1
1377 1 43 LYS H 1 44 GLN HG3 . . 4.880 4.435 4.056 4.906 0.026 4 0 "[ . 1 . 2]" 1
1378 1 43 LYS H 1 45 HIS H . . 4.390 4.203 3.904 4.440 0.050 19 0 "[ . 1 . 2]" 1
1379 1 43 LYS H 1 46 LYS H . . 5.200 4.924 4.695 5.110 . 0 0 "[ . 1 . 2]" 1
1380 1 43 LYS H 1 46 LYS HB3 . . 5.500 4.619 4.416 4.716 . 0 0 "[ . 1 . 2]" 1
1381 1 43 LYS H 1 49 LEU QD . . 5.050 4.614 4.410 4.732 . 0 0 "[ . 1 . 2]" 1
1382 1 43 LYS HA 1 43 LYS HD2 . . 5.300 4.319 2.360 4.743 . 0 0 "[ . 1 . 2]" 1
1383 1 43 LYS HA 1 43 LYS QD . . 4.570 3.834 2.295 4.138 . 0 0 "[ . 1 . 2]" 1
1384 1 43 LYS HA 1 43 LYS HD3 . . 5.300 4.403 3.140 5.013 . 0 0 "[ . 1 . 2]" 1
1385 1 43 LYS HA 1 43 LYS QG . . 3.500 2.563 2.379 2.909 . 0 0 "[ . 1 . 2]" 1
1386 1 43 LYS HA 1 46 LYS H . . 3.840 3.491 3.193 3.741 . 0 0 "[ . 1 . 2]" 1
1387 1 43 LYS HA 1 46 LYS HA . . 4.640 4.342 4.127 4.692 0.052 20 0 "[ . 1 . 2]" 1
1388 1 43 LYS HA 1 46 LYS HB2 . . 4.290 3.873 3.662 4.081 . 0 0 "[ . 1 . 2]" 1
1389 1 43 LYS HA 1 46 LYS HB3 . . 3.340 2.277 2.131 2.577 . 0 0 "[ . 1 . 2]" 1
1390 1 43 LYS HA 1 46 LYS HD2 . . 5.500 5.479 5.244 5.572 0.072 19 0 "[ . 1 . 2]" 1
1391 1 43 LYS HA 1 46 LYS HD3 . . 5.500 5.111 4.717 5.570 0.070 18 0 "[ . 1 . 2]" 1
1392 1 43 LYS HA 1 46 LYS HE2 . . 5.500 5.116 4.674 5.563 0.063 3 0 "[ . 1 . 2]" 1
1393 1 43 LYS HA 1 46 LYS HE3 . . 5.500 5.325 4.813 5.566 0.066 4 0 "[ . 1 . 2]" 1
1394 1 43 LYS HA 1 46 LYS QG . . 3.670 2.740 2.480 2.938 . 0 0 "[ . 1 . 2]" 1
1395 1 43 LYS HB3 1 43 LYS HD2 . . 4.030 2.758 2.149 3.866 . 0 0 "[ . 1 . 2]" 1
1396 1 43 LYS HB3 1 43 LYS QD . . 3.330 2.382 2.073 3.301 . 0 0 "[ . 1 . 2]" 1
1397 1 43 LYS HB3 1 43 LYS HD3 . . 4.030 2.793 2.225 3.706 . 0 0 "[ . 1 . 2]" 1
1398 1 43 LYS HB3 1 43 LYS HE2 . . 5.500 4.316 2.735 4.677 . 0 0 "[ . 1 . 2]" 1
1399 1 43 LYS HB3 1 43 LYS QE . . 4.660 3.732 1.945 4.180 . 0 0 "[ . 1 . 2]" 1
1400 1 43 LYS HB3 1 43 LYS HE3 . . 5.500 4.172 1.960 4.819 . 0 0 "[ . 1 . 2]" 1
1401 1 43 LYS HB3 1 44 GLN H . . 3.100 2.826 2.509 3.125 0.025 1 0 "[ . 1 . 2]" 1
1402 1 43 LYS HD2 1 44 GLN H . . 5.500 4.700 2.915 5.573 0.073 4 0 "[ . 1 . 2]" 1
1403 1 43 LYS HD3 1 44 GLN H . . 5.500 4.403 2.940 5.573 0.073 5 0 "[ . 1 . 2]" 1
1404 1 43 LYS QE 1 43 LYS QG . . 3.330 2.254 2.064 2.525 . 0 0 "[ . 1 . 2]" 1
1405 1 43 LYS QG 1 44 GLN H . . 4.560 3.975 3.518 4.374 . 0 0 "[ . 1 . 2]" 1
1406 1 43 LYS QG 1 46 LYS QG . . 3.330 3.209 2.834 3.434 0.104 13 0 "[ . 1 . 2]" 1
1407 1 44 GLN H 1 44 GLN HB2 . . 3.030 2.363 2.291 2.457 . 0 0 "[ . 1 . 2]" 1
1408 1 44 GLN H 1 44 GLN HB3 . . 3.580 3.589 3.546 3.632 0.052 7 0 "[ . 1 . 2]" 1
1409 1 44 GLN H 1 44 GLN HG2 . . 4.020 3.874 3.697 4.075 0.055 4 0 "[ . 1 . 2]" 1
1410 1 44 GLN H 1 44 GLN HG3 . . 3.420 2.564 2.322 2.788 . 0 0 "[ . 1 . 2]" 1
1411 1 44 GLN H 1 45 HIS H . . 3.130 2.667 2.510 2.790 . 0 0 "[ . 1 . 2]" 1
1412 1 44 GLN H 1 45 HIS HA . . 5.240 5.296 5.219 5.317 0.077 5 0 "[ . 1 . 2]" 1
1413 1 44 GLN H 1 45 HIS HB2 . . 5.430 4.893 4.733 5.192 . 0 0 "[ . 1 . 2]" 1
1414 1 44 GLN H 1 45 HIS HD2 . . 4.550 4.234 3.896 4.603 0.053 6 0 "[ . 1 . 2]" 1
1415 1 44 GLN H 1 46 LYS H . . 4.080 3.973 3.817 4.111 0.031 5 0 "[ . 1 . 2]" 1
1416 1 44 GLN H 1 46 LYS QG . . 4.810 4.805 4.553 4.889 0.079 18 0 "[ . 1 . 2]" 1
1417 1 44 GLN HA 1 44 GLN HG2 . . 3.830 2.673 2.409 2.821 . 0 0 "[ . 1 . 2]" 1
1418 1 44 GLN HA 1 44 GLN HG3 . . 3.300 2.708 2.416 2.925 . 0 0 "[ . 1 . 2]" 1
1419 1 44 GLN HA 1 46 LYS H . . 4.380 4.098 3.924 4.234 . 0 0 "[ . 1 . 2]" 1
1420 1 44 GLN HA 1 46 LYS QG . . 4.550 4.449 4.159 4.629 0.079 8 0 "[ . 1 . 2]" 1
1421 1 44 GLN HB2 1 45 HIS H . . 3.490 2.581 2.284 2.837 . 0 0 "[ . 1 . 2]" 1
1422 1 44 GLN HB2 1 45 HIS HB3 . . 5.500 5.522 5.355 5.601 0.101 2 0 "[ . 1 . 2]" 1
1423 1 44 GLN HB2 1 45 HIS HD2 . . 3.280 2.401 2.097 2.768 . 0 0 "[ . 1 . 2]" 1
1424 1 44 GLN HB3 1 44 GLN HE21 . . 4.460 2.595 2.137 4.346 . 0 0 "[ . 1 . 2]" 1
1425 1 44 GLN HB3 1 44 GLN HE22 . . 4.460 3.982 3.736 4.524 0.064 19 0 "[ . 1 . 2]" 1
1426 1 44 GLN HB3 1 45 HIS H . . 3.760 3.446 3.202 3.754 . 0 0 "[ . 1 . 2]" 1
1427 1 44 GLN HB3 1 45 HIS HD2 . . 3.740 2.961 2.223 3.540 . 0 0 "[ . 1 . 2]" 1
1428 1 44 GLN HG2 1 45 HIS H . . 5.170 5.095 4.943 5.214 0.044 13 0 "[ . 1 . 2]" 1
1429 1 44 GLN HG3 1 45 HIS H . . 4.580 4.535 4.375 4.628 0.048 8 0 "[ . 1 . 2]" 1
1430 1 45 HIS H 1 45 HIS HB2 . . 3.270 2.403 2.315 2.613 . 0 0 "[ . 1 . 2]" 1
1431 1 45 HIS H 1 45 HIS HB3 . . 3.800 3.615 3.546 3.742 . 0 0 "[ . 1 . 2]" 1
1432 1 45 HIS H 1 45 HIS HD2 . . 3.680 2.716 2.385 3.059 . 0 0 "[ . 1 . 2]" 1
1433 1 45 HIS H 1 46 LYS H . . 3.020 2.728 2.518 2.895 . 0 0 "[ . 1 . 2]" 1
1434 1 45 HIS H 1 46 LYS HA . . 4.660 4.559 4.332 4.695 0.035 7 0 "[ . 1 . 2]" 1
1435 1 45 HIS H 1 46 LYS HB3 . . 4.700 4.707 4.415 4.769 0.069 20 0 "[ . 1 . 2]" 1
1436 1 45 HIS H 1 47 GLN H . . 5.260 5.222 5.008 5.317 0.057 16 0 "[ . 1 . 2]" 1
1437 1 45 HIS H 1 49 LEU QD . . 3.920 3.364 3.129 3.554 . 0 0 "[ . 1 . 2]" 1
1438 1 45 HIS H 1 49 LEU HG . . 5.500 5.103 4.707 5.302 . 0 0 "[ . 1 . 2]" 1
1439 1 45 HIS HA 1 45 HIS HD2 . . 4.180 3.989 3.440 4.237 0.057 7 0 "[ . 1 . 2]" 1
1440 1 45 HIS HA 1 46 LYS H . . 3.380 3.069 2.845 3.209 . 0 0 "[ . 1 . 2]" 1
1441 1 45 HIS HA 1 47 GLN HB3 . . 4.600 4.543 4.311 4.670 0.070 16 0 "[ . 1 . 2]" 1
1442 1 45 HIS HA 1 48 GLU H . . 4.100 3.615 3.496 3.728 . 0 0 "[ . 1 . 2]" 1
1443 1 45 HIS HA 1 48 GLU QB . . 5.000 4.665 3.716 4.978 . 0 0 "[ . 1 . 2]" 1
1444 1 45 HIS HB2 1 45 HIS HD2 . . 3.810 2.818 2.659 3.051 . 0 0 "[ . 1 . 2]" 1
1445 1 45 HIS HB2 1 46 LYS H . . 4.220 4.039 3.889 4.176 . 0 0 "[ . 1 . 2]" 1
1446 1 45 HIS HB2 1 48 GLU H . . 5.400 5.353 5.072 5.470 0.070 19 0 "[ . 1 . 2]" 1
1447 1 45 HIS HB2 1 49 LEU H . . 4.490 4.528 4.386 4.565 0.075 19 0 "[ . 1 . 2]" 1
1448 1 45 HIS HB2 1 49 LEU MD1 . . 5.100 2.485 2.191 2.759 . 0 0 "[ . 1 . 2]" 1
1449 1 45 HIS HB2 1 49 LEU QD . . 4.070 2.467 2.184 2.728 . 0 0 "[ . 1 . 2]" 1
1450 1 45 HIS HB2 1 49 LEU MD2 . . 5.100 4.191 3.741 4.420 . 0 0 "[ . 1 . 2]" 1
1451 1 45 HIS HB3 1 46 LYS H . . 4.760 4.468 4.383 4.530 . 0 0 "[ . 1 . 2]" 1
1452 1 45 HIS HB3 1 48 GLU H . . 4.280 4.092 3.882 4.252 . 0 0 "[ . 1 . 2]" 1
1453 1 45 HIS HB3 1 48 GLU QB . . 4.660 4.007 2.660 4.564 . 0 0 "[ . 1 . 2]" 1
1454 1 45 HIS HB3 1 48 GLU HG2 . . 4.400 2.654 2.220 3.640 . 0 0 "[ . 1 . 2]" 1
1455 1 45 HIS HB3 1 48 GLU HG3 . . 5.500 2.954 2.396 4.026 . 0 0 "[ . 1 . 2]" 1
1456 1 45 HIS HB3 1 49 LEU MD1 . . 4.940 3.286 2.930 3.597 . 0 0 "[ . 1 . 2]" 1
1457 1 45 HIS HB3 1 49 LEU QD . . 3.950 3.192 2.880 3.500 . 0 0 "[ . 1 . 2]" 1
1458 1 45 HIS HB3 1 49 LEU MD2 . . 4.940 4.354 3.768 4.798 . 0 0 "[ . 1 . 2]" 1
1459 1 45 HIS HB3 1 49 LEU HG . . 5.180 2.919 2.506 3.388 . 0 0 "[ . 1 . 2]" 1
1460 1 46 LYS H 1 46 LYS HB2 . . 3.620 3.656 3.588 3.674 0.054 20 0 "[ . 1 . 2]" 1
1461 1 46 LYS H 1 46 LYS HB3 . . 3.030 2.633 2.504 2.747 . 0 0 "[ . 1 . 2]" 1
1462 1 46 LYS H 1 46 LYS HD2 . . 5.330 4.321 4.075 4.533 . 0 0 "[ . 1 . 2]" 1
1463 1 46 LYS H 1 46 LYS QD . . 4.600 3.959 3.697 4.235 . 0 0 "[ . 1 . 2]" 1
1464 1 46 LYS H 1 46 LYS HD3 . . 5.330 4.663 4.008 5.084 . 0 0 "[ . 1 . 2]" 1
1465 1 46 LYS H 1 46 LYS HE2 . . 5.500 5.289 4.817 5.562 0.062 7 0 "[ . 1 . 2]" 1
1466 1 46 LYS H 1 46 LYS HE3 . . 5.500 4.841 4.025 5.555 0.055 18 0 "[ . 1 . 2]" 1
1467 1 46 LYS H 1 46 LYS QG . . 3.890 2.179 1.974 2.459 . 0 0 "[ . 1 . 2]" 1
1468 1 46 LYS H 1 47 GLN H . . 3.400 2.881 2.617 3.032 . 0 0 "[ . 1 . 2]" 1
1469 1 46 LYS H 1 47 GLN HB3 . . 5.080 5.125 4.975 5.155 0.075 4 0 "[ . 1 . 2]" 1
1470 1 46 LYS H 1 48 GLU H . . 4.620 4.651 4.467 4.694 0.074 18 0 "[ . 1 . 2]" 1
1471 1 46 LYS H 1 48 GLU HG2 . . 5.230 5.084 4.671 5.292 0.062 7 0 "[ . 1 . 2]" 1
1472 1 46 LYS H 1 49 LEU QD . . 4.170 3.569 3.347 3.740 . 0 0 "[ . 1 . 2]" 1
1473 1 46 LYS HA 1 46 LYS QD . . 4.390 3.935 3.825 4.189 . 0 0 "[ . 1 . 2]" 1
1474 1 46 LYS HA 1 46 LYS QG . . 3.740 3.451 3.377 3.488 . 0 0 "[ . 1 . 2]" 1
1475 1 46 LYS HA 1 49 LEU H . . 3.920 3.555 3.344 3.732 . 0 0 "[ . 1 . 2]" 1
1476 1 46 LYS HA 1 49 LEU HB2 . . 4.120 2.268 2.019 2.427 . 0 0 "[ . 1 . 2]" 1
1477 1 46 LYS HA 1 49 LEU HB3 . . 4.440 3.662 3.334 3.843 . 0 0 "[ . 1 . 2]" 1
1478 1 46 LYS HA 1 49 LEU QD . . 3.640 2.566 2.166 2.732 . 0 0 "[ . 1 . 2]" 1
1479 1 46 LYS HA 1 50 ILE H . . 4.440 3.924 3.669 4.130 . 0 0 "[ . 1 . 2]" 1
1480 1 46 LYS HA 1 50 ILE HG13 . . 4.830 3.837 3.504 4.090 . 0 0 "[ . 1 . 2]" 1
1481 1 46 LYS HB2 1 46 LYS QD . . 3.620 2.383 2.071 2.862 . 0 0 "[ . 1 . 2]" 1
1482 1 46 LYS HB2 1 47 GLN H . . 3.880 3.827 3.669 3.946 0.066 14 0 "[ . 1 . 2]" 1
1483 1 46 LYS HB2 1 50 ILE MD . . 4.400 2.975 2.597 3.252 . 0 0 "[ . 1 . 2]" 1
1484 1 46 LYS HB3 1 46 LYS QD . . 3.450 3.311 3.142 3.540 0.090 12 0 "[ . 1 . 2]" 1
1485 1 46 LYS HB3 1 46 LYS HE2 . . 5.500 4.276 3.483 4.760 . 0 0 "[ . 1 . 2]" 1
1486 1 46 LYS HB3 1 46 LYS HE3 . . 5.500 4.489 3.749 4.910 . 0 0 "[ . 1 . 2]" 1
1487 1 46 LYS HB3 1 47 GLN H . . 4.190 4.103 3.940 4.201 0.011 19 0 "[ . 1 . 2]" 1
1488 1 46 LYS QD 1 47 GLN H . . 3.770 2.650 2.260 2.850 . 0 0 "[ . 1 . 2]" 1
1489 1 46 LYS QD 1 47 GLN HA . . 3.970 2.762 2.492 2.946 . 0 0 "[ . 1 . 2]" 1
1490 1 46 LYS QD 1 50 ILE MD . . 3.680 2.871 2.433 3.661 . 0 0 "[ . 1 . 2]" 1
1491 1 46 LYS HD2 1 47 GLN H . . 4.320 2.930 2.480 3.609 . 0 0 "[ . 1 . 2]" 1
1492 1 46 LYS HD2 1 47 GLN HA . . 4.600 3.260 2.509 4.647 0.047 12 0 "[ . 1 . 2]" 1
1493 1 46 LYS HD3 1 47 GLN H . . 4.320 3.695 2.286 4.371 0.051 1 0 "[ . 1 . 2]" 1
1494 1 46 LYS HD3 1 47 GLN HA . . 4.600 3.841 2.799 4.642 0.042 20 0 "[ . 1 . 2]" 1
1495 1 46 LYS QE 1 50 ILE MD . . 5.340 4.056 2.690 4.971 . 0 0 "[ . 1 . 2]" 1
1496 1 46 LYS QG 1 47 GLN H . . 4.830 2.412 1.978 2.597 . 0 0 "[ . 1 . 2]" 1
1497 1 46 LYS QG 1 47 GLN HA . . 4.590 4.330 3.939 4.556 . 0 0 "[ . 1 . 2]" 1
1498 1 46 LYS QG 1 49 LEU H . . 5.500 5.538 5.264 5.580 0.080 16 0 "[ . 1 . 2]" 1
1499 1 46 LYS QG 1 49 LEU HB2 . . 5.500 5.317 4.968 5.452 . 0 0 "[ . 1 . 2]" 1
1500 1 46 LYS QG 1 50 ILE MD . . 5.030 4.320 4.024 4.567 . 0 0 "[ . 1 . 2]" 1
1501 1 47 GLN H 1 47 GLN HB2 . . 3.110 2.349 2.166 2.566 . 0 0 "[ . 1 . 2]" 1
1502 1 47 GLN H 1 47 GLN HB3 . . 3.030 2.501 2.342 2.718 . 0 0 "[ . 1 . 2]" 1
1503 1 47 GLN H 1 47 GLN HE21 . . 5.050 5.098 4.962 5.124 0.074 7 0 "[ . 1 . 2]" 1
1504 1 47 GLN H 1 47 GLN QG . . 4.280 4.000 3.885 4.084 . 0 0 "[ . 1 . 2]" 1
1505 1 47 GLN H 1 48 GLU H . . 3.110 2.813 2.704 2.981 . 0 0 "[ . 1 . 2]" 1
1506 1 47 GLN H 1 48 GLU HA . . 5.500 5.403 5.315 5.494 . 0 0 "[ . 1 . 2]" 1
1507 1 47 GLN H 1 48 GLU HG2 . . 4.660 4.298 3.901 4.722 0.062 14 0 "[ . 1 . 2]" 1
1508 1 47 GLN H 1 49 LEU H . . 4.270 3.994 3.883 4.095 . 0 0 "[ . 1 . 2]" 1
1509 1 47 GLN H 1 49 LEU QD . . 4.850 4.892 4.717 4.938 0.088 17 0 "[ . 1 . 2]" 1
1510 1 47 GLN H 1 50 ILE MD . . 4.420 4.405 4.086 4.528 0.108 2 0 "[ . 1 . 2]" 1
1511 1 47 GLN HA 1 47 GLN HE21 . . 4.000 2.577 2.471 2.757 . 0 0 "[ . 1 . 2]" 1
1512 1 47 GLN HA 1 47 GLN HE22 . . 4.120 3.110 2.938 3.369 . 0 0 "[ . 1 . 2]" 1
1513 1 47 GLN HA 1 47 GLN QG . . 3.310 2.974 2.882 3.034 . 0 0 "[ . 1 . 2]" 1
1514 1 47 GLN HA 1 50 ILE H . . 4.110 3.766 3.536 4.023 . 0 0 "[ . 1 . 2]" 1
1515 1 47 GLN HA 1 50 ILE HB . . 3.720 3.301 3.043 3.700 . 0 0 "[ . 1 . 2]" 1
1516 1 47 GLN HA 1 50 ILE MD . . 3.500 2.773 2.215 3.248 . 0 0 "[ . 1 . 2]" 1
1517 1 47 GLN HA 1 50 ILE MG . . 4.790 4.559 4.285 4.843 0.053 8 0 "[ . 1 . 2]" 1
1518 1 47 GLN HB2 1 47 GLN HE21 . . 4.300 4.007 3.891 4.088 . 0 0 "[ . 1 . 2]" 1
1519 1 47 GLN HB2 1 47 GLN HE22 . . 4.640 4.436 4.319 4.598 . 0 0 "[ . 1 . 2]" 1
1520 1 47 GLN HB2 1 48 GLU H . . 4.110 3.796 3.565 4.113 0.003 8 0 "[ . 1 . 2]" 1
1521 1 47 GLN HB3 1 47 GLN HE21 . . 4.310 4.101 3.817 4.192 . 0 0 "[ . 1 . 2]" 1
1522 1 47 GLN HB3 1 47 GLN HE22 . . 5.090 5.133 4.980 5.160 0.070 13 0 "[ . 1 . 2]" 1
1523 1 47 GLN HB3 1 48 GLU H . . 3.060 2.473 2.170 2.996 . 0 0 "[ . 1 . 2]" 1
1524 1 47 GLN HB3 1 48 GLU HG2 . . 5.500 4.154 3.124 5.020 . 0 0 "[ . 1 . 2]" 1
1525 1 47 GLN HE21 1 47 GLN QG . . 2.930 2.260 2.136 2.441 . 0 0 "[ . 1 . 2]" 1
1526 1 47 GLN HE21 1 50 ILE HB . . 4.010 3.528 3.092 3.974 . 0 0 "[ . 1 . 2]" 1
1527 1 47 GLN HE21 1 50 ILE MD . . 4.510 3.994 3.443 4.385 . 0 0 "[ . 1 . 2]" 1
1528 1 47 GLN HE21 1 50 ILE MG . . 4.570 4.192 3.768 4.636 0.066 8 0 "[ . 1 . 2]" 1
1529 1 47 GLN HE21 1 51 ASP H . . 4.120 3.849 3.161 4.173 0.053 10 0 "[ . 1 . 2]" 1
1530 1 47 GLN HE22 1 47 GLN QG . . 3.340 3.357 3.304 3.397 0.057 19 0 "[ . 1 . 2]" 1
1531 1 47 GLN HE22 1 50 ILE HB . . 4.070 3.881 3.410 4.099 0.029 1 0 "[ . 1 . 2]" 1
1532 1 47 GLN HE22 1 50 ILE MD . . 4.390 3.619 3.184 4.012 . 0 0 "[ . 1 . 2]" 1
1533 1 47 GLN HE22 1 50 ILE MG . . 4.140 3.967 3.616 4.216 0.076 7 0 "[ . 1 . 2]" 1
1534 1 47 GLN HE22 1 51 ASP H . . 5.010 5.010 4.365 5.084 0.074 4 0 "[ . 1 . 2]" 1
1535 1 47 GLN QG 1 48 GLU H . . 3.970 3.646 3.420 4.040 0.070 8 0 "[ . 1 . 2]" 1
1536 1 48 GLU H 1 48 GLU QB . . 3.020 2.731 2.634 2.952 . 0 0 "[ . 1 . 2]" 1
1537 1 48 GLU H 1 48 GLU HG2 . . 3.020 2.154 1.812 2.705 . 0 0 "[ . 1 . 2]" 1
1538 1 48 GLU H 1 49 LEU H . . 3.220 2.517 2.159 2.631 . 0 0 "[ . 1 . 2]" 1
1539 1 48 GLU H 1 49 LEU HA . . 5.370 5.173 4.852 5.295 . 0 0 "[ . 1 . 2]" 1
1540 1 48 GLU H 1 50 ILE H . . 4.590 4.169 3.923 4.297 . 0 0 "[ . 1 . 2]" 1
1541 1 48 GLU H 1 51 ASP H . . 5.160 4.915 4.760 5.093 . 0 0 "[ . 1 . 2]" 1
1542 1 48 GLU HA 1 48 GLU HG2 . . 3.990 3.693 3.439 3.842 . 0 0 "[ . 1 . 2]" 1
1543 1 48 GLU HA 1 50 ILE H . . 4.630 4.218 4.045 4.431 . 0 0 "[ . 1 . 2]" 1
1544 1 48 GLU HA 1 51 ASP H . . 3.610 3.352 3.038 3.658 0.048 17 0 "[ . 1 . 2]" 1
1545 1 48 GLU HA 1 51 ASP HB2 . . 3.620 3.046 2.312 3.547 . 0 0 "[ . 1 . 2]" 1
1546 1 48 GLU HA 1 51 ASP HB3 . . 3.640 2.869 2.518 3.688 0.048 6 0 "[ . 1 . 2]" 1
1547 1 48 GLU HA 1 52 PHE H . . 4.130 3.970 3.832 4.177 0.047 16 0 "[ . 1 . 2]" 1
1548 1 48 GLU HG2 1 49 LEU H . . 3.950 2.798 1.948 3.696 . 0 0 "[ . 1 . 2]" 1
1549 1 49 LEU H 1 49 LEU HB2 . . 3.380 2.261 2.183 2.337 . 0 0 "[ . 1 . 2]" 1
1550 1 49 LEU H 1 49 LEU HB3 . . 3.590 3.554 3.505 3.618 0.028 6 0 "[ . 1 . 2]" 1
1551 1 49 LEU H 1 49 LEU MD1 . . 4.250 3.515 3.422 3.569 . 0 0 "[ . 1 . 2]" 1
1552 1 49 LEU H 1 49 LEU QD . . 3.440 3.295 3.234 3.352 . 0 0 "[ . 1 . 2]" 1
1553 1 49 LEU H 1 49 LEU MD2 . . 4.250 3.983 3.871 4.072 . 0 0 "[ . 1 . 2]" 1
1554 1 49 LEU H 1 49 LEU HG . . 3.190 2.790 2.623 2.899 . 0 0 "[ . 1 . 2]" 1
1555 1 49 LEU H 1 50 ILE H . . 3.120 2.747 2.620 2.834 . 0 0 "[ . 1 . 2]" 1
1556 1 49 LEU H 1 50 ILE HG13 . . 4.720 4.722 4.542 4.778 0.058 19 0 "[ . 1 . 2]" 1
1557 1 49 LEU H 1 51 ASP H . . 4.570 4.343 4.119 4.487 . 0 0 "[ . 1 . 2]" 1
1558 1 49 LEU H 1 52 PHE H . . 4.860 4.815 4.704 4.912 0.052 19 0 "[ . 1 . 2]" 1
1559 1 49 LEU H 1 53 LEU MD1 . . 5.460 5.341 5.184 5.527 0.067 12 0 "[ . 1 . 2]" 1
1560 1 49 LEU HA 1 49 LEU MD1 . . 4.060 3.836 3.807 3.858 . 0 0 "[ . 1 . 2]" 1
1561 1 49 LEU HA 1 49 LEU QD . . 2.990 2.160 2.055 2.335 . 0 0 "[ . 1 . 2]" 1
1562 1 49 LEU HA 1 49 LEU MD2 . . 4.060 2.172 2.063 2.356 . 0 0 "[ . 1 . 2]" 1
1563 1 49 LEU HA 1 49 LEU HG . . 4.030 2.647 2.558 2.713 . 0 0 "[ . 1 . 2]" 1
1564 1 49 LEU HA 1 51 ASP H . . 4.820 4.711 4.500 4.844 0.024 4 0 "[ . 1 . 2]" 1
1565 1 49 LEU HA 1 52 PHE H . . 3.640 3.625 3.505 3.698 0.058 7 0 "[ . 1 . 2]" 1
1566 1 49 LEU HA 1 52 PHE HB2 . . 4.260 4.154 3.883 4.310 0.050 5 0 "[ . 1 . 2]" 1
1567 1 49 LEU HA 1 52 PHE HB3 . . 4.070 2.803 2.611 2.931 . 0 0 "[ . 1 . 2]" 1
1568 1 49 LEU HA 1 53 LEU H . . 4.110 3.867 3.758 3.991 . 0 0 "[ . 1 . 2]" 1
1569 1 49 LEU HB2 1 50 ILE H . . 3.700 2.842 2.749 2.934 . 0 0 "[ . 1 . 2]" 1
1570 1 49 LEU HB2 1 53 LEU MD1 . . 4.590 4.096 3.883 4.334 . 0 0 "[ . 1 . 2]" 1
1571 1 49 LEU HB3 1 50 ILE H . . 3.560 3.450 3.259 3.587 0.027 12 0 "[ . 1 . 2]" 1
1572 1 49 LEU HB3 1 53 LEU MD1 . . 4.870 2.634 2.400 2.878 . 0 0 "[ . 1 . 2]" 1
1573 1 49 LEU QD 1 50 ILE H . . 4.840 4.209 4.075 4.276 . 0 0 "[ . 1 . 2]" 1
1574 1 49 LEU QD 1 52 PHE HB2 . . 5.200 4.977 4.762 5.210 0.010 2 0 "[ . 1 . 2]" 1
1575 1 49 LEU QD 1 52 PHE HB3 . . 4.400 3.820 3.610 4.015 . 0 0 "[ . 1 . 2]" 1
1576 1 49 LEU QD 1 53 LEU H . . 5.020 4.619 4.477 4.774 . 0 0 "[ . 1 . 2]" 1
1577 1 49 LEU QD 1 53 LEU MD1 . . 3.670 2.497 2.285 3.115 . 0 0 "[ . 1 . 2]" 1
1578 1 49 LEU HG 1 53 LEU MD1 . . 5.420 4.748 4.543 5.187 . 0 0 "[ . 1 . 2]" 1
1579 1 50 ILE H 1 50 ILE HB . . 2.850 2.428 2.291 2.592 . 0 0 "[ . 1 . 2]" 1
1580 1 50 ILE H 1 50 ILE MD . . 3.630 3.433 3.301 3.550 . 0 0 "[ . 1 . 2]" 1
1581 1 50 ILE H 1 50 ILE HG12 . . 4.070 3.820 3.693 3.919 . 0 0 "[ . 1 . 2]" 1
1582 1 50 ILE H 1 50 ILE HG13 . . 3.280 2.443 2.354 2.542 . 0 0 "[ . 1 . 2]" 1
1583 1 50 ILE H 1 50 ILE MG . . 3.880 3.794 3.732 3.865 . 0 0 "[ . 1 . 2]" 1
1584 1 50 ILE H 1 51 ASP H . . 3.260 2.637 2.520 2.756 . 0 0 "[ . 1 . 2]" 1
1585 1 50 ILE H 1 51 ASP HA . . 5.470 5.233 5.135 5.338 . 0 0 "[ . 1 . 2]" 1
1586 1 50 ILE H 1 52 PHE H . . 4.450 4.115 3.948 4.266 . 0 0 "[ . 1 . 2]" 1
1587 1 50 ILE H 1 53 LEU H . . 4.590 4.615 4.534 4.657 0.067 14 0 "[ . 1 . 2]" 1
1588 1 50 ILE H 1 53 LEU MD1 . . 4.670 4.474 4.298 4.720 0.050 19 0 "[ . 1 . 2]" 1
1589 1 50 ILE H 1 54 THR MG . . 5.500 5.590 5.579 5.604 0.104 2 0 "[ . 1 . 2]" 1
1590 1 50 ILE HA 1 50 ILE MD . . 4.020 3.855 3.797 3.929 . 0 0 "[ . 1 . 2]" 1
1591 1 50 ILE HA 1 50 ILE HG12 . . 3.700 2.610 2.468 2.800 . 0 0 "[ . 1 . 2]" 1
1592 1 50 ILE HA 1 50 ILE HG13 . . 3.470 2.685 2.606 2.806 . 0 0 "[ . 1 . 2]" 1
1593 1 50 ILE HA 1 50 ILE MG . . 3.280 2.545 2.395 2.666 . 0 0 "[ . 1 . 2]" 1
1594 1 50 ILE HA 1 52 PHE H . . 4.710 4.472 4.266 4.660 . 0 0 "[ . 1 . 2]" 1
1595 1 50 ILE HA 1 53 LEU H . . 4.100 3.490 3.345 3.645 . 0 0 "[ . 1 . 2]" 1
1596 1 50 ILE HA 1 53 LEU HB2 . . 3.830 2.813 2.527 2.983 . 0 0 "[ . 1 . 2]" 1
1597 1 50 ILE HA 1 53 LEU HB3 . . 4.400 4.326 4.020 4.461 0.061 9 0 "[ . 1 . 2]" 1
1598 1 50 ILE HA 1 53 LEU MD1 . . 4.150 3.405 3.261 3.705 . 0 0 "[ . 1 . 2]" 1
1599 1 50 ILE HA 1 54 THR H . . 4.350 3.660 3.467 3.902 . 0 0 "[ . 1 . 2]" 1
1600 1 50 ILE HA 1 54 THR MG . . 4.690 4.230 4.137 4.390 . 0 0 "[ . 1 . 2]" 1
1601 1 50 ILE HB 1 50 ILE MD . . 2.840 2.314 2.247 2.361 . 0 0 "[ . 1 . 2]" 1
1602 1 50 ILE HB 1 51 ASP H . . 3.090 2.535 2.383 2.732 . 0 0 "[ . 1 . 2]" 1
1603 1 50 ILE HB 1 51 ASP HA . . 4.610 4.410 4.261 4.583 . 0 0 "[ . 1 . 2]" 1
1604 1 50 ILE HB 1 54 THR MG . . 4.960 4.619 4.432 4.846 . 0 0 "[ . 1 . 2]" 1
1605 1 50 ILE MD 1 51 ASP H . . 4.520 4.419 4.225 4.571 0.051 19 0 "[ . 1 . 2]" 1
1606 1 50 ILE MG 1 51 ASP H . . 3.470 3.178 2.979 3.377 . 0 0 "[ . 1 . 2]" 1
1607 1 50 ILE MG 1 51 ASP HA . . 3.960 3.276 3.109 3.391 . 0 0 "[ . 1 . 2]" 1
1608 1 50 ILE MG 1 51 ASP HB2 . . 4.670 4.231 3.946 4.473 . 0 0 "[ . 1 . 2]" 1
1609 1 50 ILE MG 1 52 PHE H . . 5.310 4.972 4.774 5.119 . 0 0 "[ . 1 . 2]" 1
1610 1 50 ILE MG 1 53 LEU H . . 4.860 4.806 4.596 4.924 0.064 18 0 "[ . 1 . 2]" 1
1611 1 50 ILE MG 1 54 THR H . . 4.970 3.914 3.558 4.143 . 0 0 "[ . 1 . 2]" 1
1612 1 50 ILE MG 1 54 THR HB . . 4.980 2.877 2.559 3.234 . 0 0 "[ . 1 . 2]" 1
1613 1 50 ILE MG 1 54 THR MG . . 3.540 2.620 2.442 2.920 . 0 0 "[ . 1 . 2]" 1
1614 1 51 ASP H 1 51 ASP HB2 . . 3.090 2.172 1.960 2.391 . 0 0 "[ . 1 . 2]" 1
1615 1 51 ASP H 1 51 ASP HB3 . . 3.140 2.803 2.519 3.210 0.070 6 0 "[ . 1 . 2]" 1
1616 1 51 ASP H 1 52 PHE H . . 3.390 2.857 2.597 2.984 . 0 0 "[ . 1 . 2]" 1
1617 1 51 ASP H 1 52 PHE HB3 . . 4.760 4.815 4.704 4.831 0.071 6 0 "[ . 1 . 2]" 1
1618 1 51 ASP H 1 53 LEU H . . 4.230 4.253 3.950 4.300 0.070 5 0 "[ . 1 . 2]" 1
1619 1 51 ASP HA 1 54 THR H . . 3.960 3.907 3.644 4.026 0.066 20 0 "[ . 1 . 2]" 1
1620 1 51 ASP HA 1 54 THR MG . . 3.940 2.236 1.993 2.431 . 0 0 "[ . 1 . 2]" 1
1621 1 51 ASP HA 1 55 GLN H . . 4.290 4.133 3.854 4.347 0.057 20 0 "[ . 1 . 2]" 1
1622 1 51 ASP HA 1 55 GLN QB . . 4.810 4.332 4.130 4.636 . 0 0 "[ . 1 . 2]" 1
1623 1 51 ASP HB2 1 52 PHE H . . 3.670 3.665 3.193 3.740 0.070 2 0 "[ . 1 . 2]" 1
1624 1 51 ASP HB3 1 52 PHE H . . 3.490 2.649 2.401 3.015 . 0 0 "[ . 1 . 2]" 1
1625 1 52 PHE H 1 52 PHE HB2 . . 3.140 2.639 2.470 2.800 . 0 0 "[ . 1 . 2]" 1
1626 1 52 PHE H 1 52 PHE HB3 . . 3.100 2.221 2.105 2.350 . 0 0 "[ . 1 . 2]" 1
1627 1 52 PHE H 1 52 PHE QD . . 4.220 4.086 4.001 4.131 . 0 0 "[ . 1 . 2]" 1
1628 1 52 PHE H 1 53 LEU H . . 3.350 2.564 2.380 2.636 . 0 0 "[ . 1 . 2]" 1
1629 1 52 PHE H 1 53 LEU HA . . 5.150 5.200 5.083 5.223 0.073 4 0 "[ . 1 . 2]" 1
1630 1 52 PHE H 1 53 LEU HB2 . . 4.570 4.603 4.421 4.639 0.069 5 0 "[ . 1 . 2]" 1
1631 1 52 PHE H 1 53 LEU MD1 . . 5.350 5.120 4.986 5.295 . 0 0 "[ . 1 . 2]" 1
1632 1 52 PHE H 1 54 THR H . . 4.310 4.095 3.911 4.309 . 0 0 "[ . 1 . 2]" 1
1633 1 52 PHE H 1 55 GLN HG2 . . 4.850 4.777 4.518 4.923 0.073 11 0 "[ . 1 . 2]" 1
1634 1 52 PHE HA 1 52 PHE QD . . 3.430 2.670 2.393 3.108 . 0 0 "[ . 1 . 2]" 1
1635 1 52 PHE HA 1 52 PHE QE . . 4.970 4.666 4.542 4.877 . 0 0 "[ . 1 . 2]" 1
1636 1 52 PHE HA 1 55 GLN H . . 4.540 3.752 3.623 3.941 . 0 0 "[ . 1 . 2]" 1
1637 1 52 PHE HA 1 55 GLN QB . . 3.910 3.903 3.473 3.984 0.074 13 0 "[ . 1 . 2]" 1
1638 1 52 PHE HA 1 55 GLN HE21 . . 5.180 4.683 4.050 5.250 0.070 16 0 "[ . 1 . 2]" 1
1639 1 52 PHE HA 1 55 GLN HE22 . . 5.500 5.470 5.190 5.570 0.070 19 0 "[ . 1 . 2]" 1
1640 1 52 PHE HA 1 55 GLN HG2 . . 4.300 2.358 1.992 2.544 . 0 0 "[ . 1 . 2]" 1
1641 1 52 PHE HA 1 56 LEU H . . 5.360 4.577 4.172 5.193 . 0 0 "[ . 1 . 2]" 1
1642 1 52 PHE HB2 1 53 LEU H . . 4.180 4.012 3.902 4.127 . 0 0 "[ . 1 . 2]" 1
1643 1 52 PHE HB2 1 53 LEU HG . . 5.490 5.221 5.033 5.435 . 0 0 "[ . 1 . 2]" 1
1644 1 52 PHE HB2 1 55 GLN HG2 . . 4.660 4.628 4.186 4.719 0.059 5 0 "[ . 1 . 2]" 1
1645 1 52 PHE HB3 1 53 LEU H . . 3.740 2.674 2.513 2.847 . 0 0 "[ . 1 . 2]" 1
1646 1 52 PHE HB3 1 53 LEU HG . . 4.810 3.582 3.420 3.796 . 0 0 "[ . 1 . 2]" 1
1647 1 52 PHE QD 1 53 LEU H . . 3.470 3.386 3.031 3.532 0.062 20 0 "[ . 1 . 2]" 1
1648 1 52 PHE QD 1 53 LEU HA . . 4.210 3.516 2.862 3.934 . 0 0 "[ . 1 . 2]" 1
1649 1 52 PHE QD 1 53 LEU MD1 . . 4.550 3.757 3.553 4.146 . 0 0 "[ . 1 . 2]" 1
1650 1 52 PHE QD 1 53 LEU MD2 . . 3.620 3.251 2.796 3.617 . 0 0 "[ . 1 . 2]" 1
1651 1 52 PHE QD 1 53 LEU HG . . 4.170 2.313 2.104 2.688 . 0 0 "[ . 1 . 2]" 1
1652 1 52 PHE QD 1 54 THR H . . 5.500 5.438 5.014 5.566 0.066 20 0 "[ . 1 . 2]" 1
1653 1 52 PHE QD 1 55 GLN H . . 5.500 5.568 5.436 5.604 0.104 2 0 "[ . 1 . 2]" 1
1654 1 52 PHE QD 1 55 GLN HE21 . . 5.440 5.005 4.337 5.507 0.067 8 0 "[ . 1 . 2]" 1
1655 1 52 PHE QE 1 53 LEU MD2 . . 3.850 3.321 2.916 3.782 . 0 0 "[ . 1 . 2]" 1
1656 1 52 PHE QE 1 56 LEU QD . . 4.310 3.088 2.607 3.686 . 0 0 "[ . 1 . 2]" 1
1657 1 53 LEU H 1 53 LEU HB2 . . 3.060 2.245 2.198 2.277 . 0 0 "[ . 1 . 2]" 1
1658 1 53 LEU H 1 53 LEU HB3 . . 3.640 3.561 3.532 3.580 . 0 0 "[ . 1 . 2]" 1
1659 1 53 LEU H 1 53 LEU MD1 . . 4.180 3.487 3.360 3.667 . 0 0 "[ . 1 . 2]" 1
1660 1 53 LEU H 1 53 LEU MD2 . . 4.660 3.995 3.862 4.215 . 0 0 "[ . 1 . 2]" 1
1661 1 53 LEU H 1 53 LEU HG . . 4.120 2.827 2.659 3.117 . 0 0 "[ . 1 . 2]" 1
1662 1 53 LEU H 1 54 THR H . . 3.370 2.540 2.409 2.686 . 0 0 "[ . 1 . 2]" 1
1663 1 53 LEU H 1 54 THR HA . . 5.220 5.168 5.078 5.281 0.061 5 0 "[ . 1 . 2]" 1
1664 1 53 LEU H 1 54 THR HB . . 4.910 4.592 4.353 4.755 . 0 0 "[ . 1 . 2]" 1
1665 1 53 LEU H 1 54 THR MG . . 4.730 4.041 3.899 4.245 . 0 0 "[ . 1 . 2]" 1
1666 1 53 LEU H 1 55 GLN H . . 4.240 4.061 3.810 4.289 0.049 5 0 "[ . 1 . 2]" 1
1667 1 53 LEU H 1 56 LEU H . . 5.180 4.936 4.750 5.226 0.046 9 0 "[ . 1 . 2]" 1
1668 1 53 LEU H 1 56 LEU QD . . 5.280 4.474 4.086 4.754 . 0 0 "[ . 1 . 2]" 1
1669 1 53 LEU HA 1 53 LEU MD1 . . 3.950 3.813 3.721 3.870 . 0 0 "[ . 1 . 2]" 1
1670 1 53 LEU HA 1 53 LEU MD2 . . 2.870 2.191 2.130 2.290 . 0 0 "[ . 1 . 2]" 1
1671 1 53 LEU HA 1 53 LEU HG . . 3.980 2.704 2.430 2.802 . 0 0 "[ . 1 . 2]" 1
1672 1 53 LEU HA 1 54 THR MG . . 5.180 5.226 5.106 5.269 0.089 12 0 "[ . 1 . 2]" 1
1673 1 53 LEU HA 1 55 GLN H . . 4.510 4.346 4.062 4.574 0.064 7 0 "[ . 1 . 2]" 1
1674 1 53 LEU HA 1 56 LEU H . . 3.810 3.580 3.358 3.756 . 0 0 "[ . 1 . 2]" 1
1675 1 53 LEU HA 1 56 LEU QB . . 3.920 3.307 2.558 3.679 . 0 0 "[ . 1 . 2]" 1
1676 1 53 LEU HA 1 56 LEU QD . . 3.370 2.243 2.096 2.509 . 0 0 "[ . 1 . 2]" 1
1677 1 53 LEU HA 1 56 LEU HG . . 3.610 3.011 2.508 3.674 0.064 14 0 "[ . 1 . 2]" 1
1678 1 53 LEU HA 1 57 GLU H . . 4.570 4.278 4.039 4.639 0.069 16 0 "[ . 1 . 2]" 1
1679 1 53 LEU HB2 1 53 LEU MD1 . . 3.560 2.232 2.192 2.303 . 0 0 "[ . 1 . 2]" 1
1680 1 53 LEU HB2 1 53 LEU MD2 . . 3.490 3.225 3.167 3.259 . 0 0 "[ . 1 . 2]" 1
1681 1 53 LEU HB2 1 54 THR H . . 3.630 2.885 2.613 3.102 . 0 0 "[ . 1 . 2]" 1
1682 1 53 LEU HB2 1 54 THR HA . . 4.760 4.626 4.413 4.790 0.030 19 0 "[ . 1 . 2]" 1
1683 1 53 LEU HB2 1 54 THR MG . . 5.250 4.674 4.560 4.836 . 0 0 "[ . 1 . 2]" 1
1684 1 53 LEU HB3 1 53 LEU MD1 . . 3.650 2.522 2.400 2.599 . 0 0 "[ . 1 . 2]" 1
1685 1 53 LEU HB3 1 53 LEU MD2 . . 3.240 2.281 2.177 2.334 . 0 0 "[ . 1 . 2]" 1
1686 1 53 LEU HB3 1 54 THR H . . 3.890 3.592 3.348 3.811 . 0 0 "[ . 1 . 2]" 1
1687 1 53 LEU HB3 1 54 THR MG . . 5.320 5.350 5.180 5.407 0.087 7 0 "[ . 1 . 2]" 1
1688 1 53 LEU MD1 1 54 THR H . . 4.720 4.668 4.471 4.812 0.092 7 0 "[ . 1 . 2]" 1
1689 1 53 LEU MD2 1 54 THR H . . 5.050 4.854 4.750 4.938 . 0 0 "[ . 1 . 2]" 1
1690 1 53 LEU MD2 1 56 LEU H . . 5.250 5.090 4.927 5.295 0.045 6 0 "[ . 1 . 2]" 1
1691 1 53 LEU MD2 1 56 LEU QB . . 4.630 4.132 3.727 4.485 . 0 0 "[ . 1 . 2]" 1
1692 1 53 LEU MD2 1 56 LEU QD . . 3.360 2.122 1.989 2.441 . 0 0 "[ . 1 . 2]" 1
1693 1 54 THR H 1 54 THR HB . . 3.090 2.318 2.146 2.516 . 0 0 "[ . 1 . 2]" 1
1694 1 54 THR H 1 54 THR MG . . 3.200 2.301 2.196 2.445 . 0 0 "[ . 1 . 2]" 1
1695 1 54 THR H 1 55 GLN H . . 3.060 2.579 2.346 2.809 . 0 0 "[ . 1 . 2]" 1
1696 1 54 THR H 1 55 GLN HA . . 5.500 5.187 4.976 5.377 . 0 0 "[ . 1 . 2]" 1
1697 1 54 THR H 1 55 GLN QB . . 4.790 4.642 4.415 4.844 0.054 8 0 "[ . 1 . 2]" 1
1698 1 54 THR H 1 56 LEU H . . 4.360 3.972 3.735 4.162 . 0 0 "[ . 1 . 2]" 1
1699 1 54 THR H 1 56 LEU QB . . 5.500 5.248 4.806 5.480 . 0 0 "[ . 1 . 2]" 1
1700 1 54 THR H 1 56 LEU QD . . 5.440 4.954 4.703 5.223 . 0 0 "[ . 1 . 2]" 1
1701 1 54 THR HA 1 54 THR MG . . 3.200 3.257 3.193 3.276 0.076 16 0 "[ . 1 . 2]" 1
1702 1 54 THR HA 1 55 GLN H . . 3.540 3.567 3.515 3.603 0.063 19 0 "[ . 1 . 2]" 1
1703 1 54 THR HA 1 55 GLN HG3 . . 5.500 5.547 5.514 5.567 0.067 18 0 "[ . 1 . 2]" 1
1704 1 54 THR HA 1 56 LEU QB . . 5.500 5.454 4.703 5.592 0.092 2 0 "[ . 1 . 2]" 1
1705 1 54 THR HA 1 56 LEU HG . . 5.500 4.926 4.473 5.569 0.069 16 0 "[ . 1 . 2]" 1
1706 1 54 THR HA 1 57 GLU H . . 3.580 3.113 2.921 3.315 . 0 0 "[ . 1 . 2]" 1
1707 1 54 THR HA 1 57 GLU HB2 . . 4.790 2.783 2.346 3.382 . 0 0 "[ . 1 . 2]" 1
1708 1 54 THR HA 1 57 GLU QB . . 3.950 2.398 2.159 2.636 . 0 0 "[ . 1 . 2]" 1
1709 1 54 THR HA 1 57 GLU HB3 . . 4.790 2.665 2.371 3.025 . 0 0 "[ . 1 . 2]" 1
1710 1 54 THR HA 1 58 SER H . . 4.710 4.605 4.086 4.774 0.064 7 0 "[ . 1 . 2]" 1
1711 1 54 THR HB 1 55 GLN H . . 3.930 3.944 3.852 3.993 0.063 15 0 "[ . 1 . 2]" 1
1712 1 54 THR HB 1 55 GLN QB . . 5.500 5.572 5.484 5.589 0.089 6 0 "[ . 1 . 2]" 1
1713 1 54 THR HB 1 56 LEU H . . 5.500 5.518 5.404 5.573 0.073 16 0 "[ . 1 . 2]" 1
1714 1 54 THR HB 1 57 GLU H . . 5.500 5.454 5.297 5.568 0.068 2 0 "[ . 1 . 2]" 1
1715 1 54 THR HB 1 57 GLU QB . . 5.340 4.547 4.241 4.755 . 0 0 "[ . 1 . 2]" 1
1716 1 54 THR MG 1 55 GLN H . . 3.460 2.343 1.901 2.541 . 0 0 "[ . 1 . 2]" 1
1717 1 54 THR MG 1 55 GLN HA . . 4.050 3.431 3.147 3.595 . 0 0 "[ . 1 . 2]" 1
1718 1 54 THR MG 1 55 GLN QB . . 4.640 3.156 2.894 3.276 . 0 0 "[ . 1 . 2]" 1
1719 1 54 THR MG 1 56 LEU H . . 4.510 4.378 4.076 4.501 . 0 0 "[ . 1 . 2]" 1
1720 1 55 GLN H 1 55 GLN QB . . 2.880 2.399 2.306 2.514 . 0 0 "[ . 1 . 2]" 1
1721 1 55 GLN H 1 55 GLN HG2 . . 3.470 3.138 2.415 3.349 . 0 0 "[ . 1 . 2]" 1
1722 1 55 GLN H 1 55 GLN HG3 . . 3.620 2.431 2.277 2.601 . 0 0 "[ . 1 . 2]" 1
1723 1 55 GLN H 1 56 LEU H . . 3.160 2.508 2.301 2.665 . 0 0 "[ . 1 . 2]" 1
1724 1 55 GLN H 1 56 LEU QB . . 4.640 4.323 3.782 4.717 0.077 9 0 "[ . 1 . 2]" 1
1725 1 55 GLN H 1 56 LEU QD . . 5.150 4.860 4.338 5.116 . 0 0 "[ . 1 . 2]" 1
1726 1 55 GLN H 1 56 LEU HG . . 5.500 5.077 3.841 5.566 0.066 14 0 "[ . 1 . 2]" 1
1727 1 55 GLN H 1 57 GLU H . . 4.560 4.008 3.836 4.252 . 0 0 "[ . 1 . 2]" 1
1728 1 55 GLN HA 1 55 GLN HE21 . . 4.820 4.456 3.840 4.866 0.046 15 0 "[ . 1 . 2]" 1
1729 1 55 GLN HA 1 55 GLN HE22 . . 5.500 5.463 5.226 5.573 0.073 16 0 "[ . 1 . 2]" 1
1730 1 55 GLN HA 1 55 GLN HG2 . . 4.210 4.202 3.980 4.261 0.051 5 0 "[ . 1 . 2]" 1
1731 1 55 GLN HA 1 55 GLN HG3 . . 3.710 3.642 3.592 3.687 . 0 0 "[ . 1 . 2]" 1
1732 1 55 GLN HA 1 56 LEU H . . 3.550 3.493 3.377 3.541 . 0 0 "[ . 1 . 2]" 1
1733 1 55 GLN HA 1 56 LEU QB . . 5.480 5.220 5.013 5.541 0.061 16 0 "[ . 1 . 2]" 1
1734 1 55 GLN HA 1 57 GLU H . . 4.510 4.339 3.998 4.557 0.047 9 0 "[ . 1 . 2]" 1
1735 1 55 GLN HA 1 58 SER H . . 4.060 3.737 3.374 4.130 0.070 5 0 "[ . 1 . 2]" 1
1736 1 55 GLN HE21 1 56 LEU QB . . 4.790 2.540 1.970 4.664 . 0 0 "[ . 1 . 2]" 1
1737 1 55 GLN HE21 1 56 LEU MD1 . . 5.500 4.618 4.222 4.928 . 0 0 "[ . 1 . 2]" 1
1738 1 55 GLN HE21 1 56 LEU QD . . 4.850 3.697 2.152 4.425 . 0 0 "[ . 1 . 2]" 1
1739 1 55 GLN HE21 1 56 LEU MD2 . . 5.500 3.979 2.155 5.009 . 0 0 "[ . 1 . 2]" 1
1740 1 55 GLN HE21 1 56 LEU HG . . 5.430 4.625 3.354 5.465 0.035 13 0 "[ . 1 . 2]" 1
1741 1 55 GLN HE22 1 56 LEU HA . . 4.900 3.441 3.044 4.966 0.066 16 0 "[ . 1 . 2]" 1
1742 1 55 GLN HE22 1 56 LEU MD1 . . 5.500 5.461 5.063 5.592 0.092 18 0 "[ . 1 . 2]" 1
1743 1 55 GLN HE22 1 56 LEU MD2 . . 5.500 4.977 3.019 5.563 0.063 13 0 "[ . 1 . 2]" 1
1744 1 55 GLN HG2 1 56 LEU H . . 4.460 3.957 3.398 4.178 . 0 0 "[ . 1 . 2]" 1
1745 1 55 GLN HG2 1 56 LEU HA . . 5.390 5.447 5.255 5.464 0.074 17 0 "[ . 1 . 2]" 1
1746 1 55 GLN HG3 1 56 LEU H . . 4.180 2.302 2.057 2.529 . 0 0 "[ . 1 . 2]" 1
1747 1 55 GLN HG3 1 56 LEU HA . . 4.470 3.958 3.727 4.113 . 0 0 "[ . 1 . 2]" 1
1748 1 55 GLN HG3 1 57 GLU H . . 4.630 4.619 4.394 4.693 0.063 10 0 "[ . 1 . 2]" 1
1749 1 56 LEU H 1 56 LEU QB . . 2.650 2.258 1.933 2.582 . 0 0 "[ . 1 . 2]" 1
1750 1 56 LEU H 1 56 LEU MD1 . . 4.200 4.108 3.535 4.288 0.088 20 0 "[ . 1 . 2]" 1
1751 1 56 LEU H 1 56 LEU QD . . 3.510 3.380 2.914 3.569 0.059 4 0 "[ . 1 . 2]" 1
1752 1 56 LEU H 1 56 LEU MD2 . . 4.200 3.602 3.103 3.830 . 0 0 "[ . 1 . 2]" 1
1753 1 56 LEU H 1 56 LEU HG . . 3.860 3.005 1.941 3.622 . 0 0 "[ . 1 . 2]" 1
1754 1 56 LEU H 1 57 GLU H . . 3.250 2.346 2.111 2.514 . 0 0 "[ . 1 . 2]" 1
1755 1 56 LEU H 1 57 GLU HA . . 5.500 5.015 4.796 5.182 . 0 0 "[ . 1 . 2]" 1
1756 1 56 LEU H 1 58 SER H . . 4.550 3.947 3.553 4.529 . 0 0 "[ . 1 . 2]" 1
1757 1 56 LEU HA 1 56 LEU MD1 . . 4.220 3.351 2.799 3.963 . 0 0 "[ . 1 . 2]" 1
1758 1 56 LEU HA 1 56 LEU QD . . 3.170 3.062 2.198 3.270 0.100 5 0 "[ . 1 . 2]" 1
1759 1 56 LEU HA 1 56 LEU MD2 . . 4.220 3.920 2.209 4.161 . 0 0 "[ . 1 . 2]" 1
1760 1 56 LEU HA 1 56 LEU HG . . 4.100 3.731 3.105 3.907 . 0 0 "[ . 1 . 2]" 1
1761 1 56 LEU HA 1 58 SER H . . 4.970 3.811 3.468 4.345 . 0 0 "[ . 1 . 2]" 1
1762 1 56 LEU HA 1 59 GLU H . . 4.850 3.434 3.004 3.861 . 0 0 "[ . 1 . 2]" 1
1763 1 56 LEU HA 1 59 GLU HB2 . . 4.370 3.445 2.505 4.427 0.057 7 0 "[ . 1 . 2]" 1
1764 1 56 LEU HA 1 59 GLU QB . . 3.840 3.059 2.406 3.919 0.079 10 0 "[ . 1 . 2]" 1
1765 1 56 LEU HA 1 59 GLU HB3 . . 4.370 3.826 2.822 4.439 0.069 5 0 "[ . 1 . 2]" 1
1766 1 56 LEU QB 1 56 LEU MD1 . . 3.140 2.230 2.042 2.306 . 0 0 "[ . 1 . 2]" 1
1767 1 56 LEU QB 1 56 LEU MD2 . . 3.140 2.082 1.966 2.393 . 0 0 "[ . 1 . 2]" 1
1768 1 56 LEU QB 1 57 GLU H . . 3.500 3.359 2.334 3.585 0.085 5 0 "[ . 1 . 2]" 1
1769 1 56 LEU QB 1 58 SER H . . 5.500 4.844 4.344 5.299 . 0 0 "[ . 1 . 2]" 1
1770 1 56 LEU QD 1 57 GLU H . . 4.820 3.362 3.069 4.114 . 0 0 "[ . 1 . 2]" 1
1771 1 56 LEU QD 1 58 SER H . . 5.440 4.603 4.307 5.167 . 0 0 "[ . 1 . 2]" 1
1772 1 56 LEU HG 1 58 SER H . . 5.500 5.073 4.713 5.568 0.068 9 0 "[ . 1 . 2]" 1
1773 1 57 GLU H 1 57 GLU HB2 . . 3.190 2.311 2.145 2.503 . 0 0 "[ . 1 . 2]" 1
1774 1 57 GLU H 1 57 GLU QB . . 2.780 2.166 2.058 2.299 . 0 0 "[ . 1 . 2]" 1
1775 1 57 GLU H 1 57 GLU HB3 . . 3.190 2.644 2.482 2.830 . 0 0 "[ . 1 . 2]" 1
1776 1 57 GLU H 1 57 GLU QG . . 4.420 3.971 3.870 4.068 . 0 0 "[ . 1 . 2]" 1
1777 1 57 GLU H 1 58 SER H . . 3.010 2.730 2.434 2.956 . 0 0 "[ . 1 . 2]" 1
1778 1 57 GLU H 1 59 GLU H . . 4.870 4.240 3.933 4.463 . 0 0 "[ . 1 . 2]" 1
1779 1 57 GLU HA 1 57 GLU HG2 . . 3.640 3.256 2.320 3.717 0.077 13 0 "[ . 1 . 2]" 1
1780 1 57 GLU HA 1 57 GLU QG . . 3.180 2.478 2.186 2.908 . 0 0 "[ . 1 . 2]" 1
1781 1 57 GLU HA 1 57 GLU HG3 . . 3.640 2.675 2.337 3.462 . 0 0 "[ . 1 . 2]" 1
1782 1 57 GLU HA 1 58 SER H . . 3.520 3.458 3.196 3.579 0.059 8 0 "[ . 1 . 2]" 1
1783 1 57 GLU QB 1 58 SER H . . 3.400 2.983 2.485 3.481 0.081 16 0 "[ . 1 . 2]" 1
1784 1 57 GLU QG 1 58 SER H . . 4.890 4.216 3.621 4.457 . 0 0 "[ . 1 . 2]" 1
1785 1 58 SER H 1 58 SER QB . . 3.180 2.368 2.148 2.606 . 0 0 "[ . 1 . 2]" 1
1786 1 58 SER H 1 59 GLU H . . 3.400 2.497 1.924 2.970 . 0 0 "[ . 1 . 2]" 1
1787 1 58 SER QB 1 59 GLU H . . 2.880 2.939 2.741 2.970 0.090 14 0 "[ . 1 . 2]" 1
1788 1 59 GLU H 1 59 GLU HB2 . . 3.580 2.535 2.179 2.922 . 0 0 "[ . 1 . 2]" 1
1789 1 59 GLU H 1 59 GLU QB . . 3.000 2.305 2.132 2.536 . 0 0 "[ . 1 . 2]" 1
1790 1 59 GLU H 1 59 GLU HB3 . . 3.580 2.879 2.368 3.628 0.048 6 0 "[ . 1 . 2]" 1
1791 1 59 GLU H 1 59 GLU QG . . 4.150 3.715 2.110 4.222 0.072 10 0 "[ . 1 . 2]" 1
1792 1 59 GLU HA 1 60 GLU H . . 3.150 2.411 2.014 3.231 0.081 8 0 "[ . 1 . 2]" 1
1793 1 59 GLU QB 1 60 GLU H . . 3.810 3.355 1.962 3.958 0.148 2 0 "[ . 1 . 2]" 1
1794 1 59 GLU QG 1 60 GLU H . . 4.120 3.049 1.726 4.202 0.082 5 0 "[ . 1 . 2]" 1
1795 1 60 GLU H 1 60 GLU HB2 . . 4.140 2.806 2.227 4.106 . 0 0 "[ . 1 . 2]" 1
1796 1 60 GLU H 1 60 GLU QB . . 3.540 2.520 2.134 3.402 . 0 0 "[ . 1 . 2]" 1
1797 1 60 GLU H 1 60 GLU HB3 . . 4.140 3.282 2.277 3.924 . 0 0 "[ . 1 . 2]" 1
1798 1 60 GLU H 1 61 GLU H . . 3.380 2.541 1.745 3.091 . 0 0 "[ . 1 . 2]" 1
1799 1 60 GLU HA 1 60 GLU QG . . 3.170 2.734 2.048 3.307 0.137 2 0 "[ . 1 . 2]" 1
1800 1 60 GLU QB 1 61 GLU H . . 3.850 3.334 2.199 3.931 0.081 3 0 "[ . 1 . 2]" 1
1801 1 60 GLU HB2 1 61 GLU H . . 4.420 3.763 2.369 4.431 0.011 7 0 "[ . 1 . 2]" 1
1802 1 60 GLU HB3 1 61 GLU H . . 4.420 3.894 2.605 4.486 0.066 5 0 "[ . 1 . 2]" 1
1803 1 61 GLU H 1 61 GLU QG . . 4.420 3.545 2.297 4.319 . 0 0 "[ . 1 . 2]" 1
1804 1 61 GLU H 1 62 SER H . . 4.130 3.305 1.968 4.205 0.075 5 0 "[ . 1 . 2]" 1
1805 1 61 GLU QB 1 62 SER H . . 3.820 3.442 2.345 4.018 0.198 2 0 "[ . 1 . 2]" 1
1806 1 61 GLU HB2 1 62 SER H . . 4.500 4.110 2.398 4.556 0.056 2 0 "[ . 1 . 2]" 1
1807 1 61 GLU HB3 1 62 SER H . . 4.500 3.833 2.368 4.473 . 0 0 "[ . 1 . 2]" 1
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