NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
401020 |
1v9v   |
10079 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1v9v
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 2527
_Distance_constraint_stats_list.Viol_count 1335
_Distance_constraint_stats_list.Viol_total 347.247
_Distance_constraint_stats_list.Viol_max 0.202
_Distance_constraint_stats_list.Viol_rms 0.0035
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0130
_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 7 GLY 0.004 0.004 5 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 LYS 0.058 0.057 16 0 "[ . 1 . 2]"
1 10 ALA 0.018 0.018 20 0 "[ . 1 . 2]"
1 11 THR 0.026 0.018 20 0 "[ . 1 . 2]"
1 12 ALA 0.062 0.057 16 0 "[ . 1 . 2]"
1 13 GLN 0.057 0.031 20 0 "[ . 1 . 2]"
1 14 MET 0.034 0.009 6 0 "[ . 1 . 2]"
1 15 GLU 0.042 0.020 6 0 "[ . 1 . 2]"
1 16 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 ARG 0.029 0.009 6 0 "[ . 1 . 2]"
1 18 LEU 0.080 0.013 10 0 "[ . 1 . 2]"
1 19 GLN 0.199 0.032 9 0 "[ . 1 . 2]"
1 20 GLU 0.063 0.015 9 0 "[ . 1 . 2]"
1 21 PHE 2.074 0.112 7 0 "[ . 1 . 2]"
1 22 LEU 2.142 0.112 7 0 "[ . 1 . 2]"
1 23 THR 0.165 0.025 18 0 "[ . 1 . 2]"
1 24 ALA 0.479 0.031 7 0 "[ . 1 . 2]"
1 25 TYR 0.814 0.067 2 0 "[ . 1 . 2]"
1 26 ALA 0.139 0.024 7 0 "[ . 1 . 2]"
1 27 PRO 0.153 0.032 17 0 "[ . 1 . 2]"
1 28 GLY 0.019 0.019 17 0 "[ . 1 . 2]"
1 29 ALA 0.060 0.049 19 0 "[ . 1 . 2]"
1 30 ARG 0.301 0.071 14 0 "[ . 1 . 2]"
1 31 LEU 0.133 0.028 9 0 "[ . 1 . 2]"
1 32 ALA 0.181 0.029 7 0 "[ . 1 . 2]"
1 33 LEU 0.390 0.032 15 0 "[ . 1 . 2]"
1 34 ALA 0.370 0.070 2 0 "[ . 1 . 2]"
1 35 ASP 0.396 0.070 2 0 "[ . 1 . 2]"
1 36 GLY 0.009 0.009 4 0 "[ . 1 . 2]"
1 37 VAL 0.563 0.058 11 0 "[ . 1 . 2]"
1 38 LEU 2.033 0.067 10 0 "[ . 1 . 2]"
1 39 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PHE 0.282 0.019 11 0 "[ . 1 . 2]"
1 41 ILE 0.722 0.037 9 0 "[ . 1 . 2]"
1 42 HIS 0.529 0.064 17 0 "[ . 1 . 2]"
1 43 HIS 0.127 0.040 11 0 "[ . 1 . 2]"
1 44 GLN 0.177 0.019 10 0 "[ . 1 . 2]"
1 45 ILE 0.201 0.017 6 0 "[ . 1 . 2]"
1 46 VAL 0.214 0.035 18 0 "[ . 1 . 2]"
1 47 GLU 0.136 0.035 18 0 "[ . 1 . 2]"
1 48 LEU 0.147 0.017 6 0 "[ . 1 . 2]"
1 49 ALA 0.107 0.030 7 0 "[ . 1 . 2]"
1 50 ARG 0.104 0.030 7 0 "[ . 1 . 2]"
1 51 ASP 0.108 0.014 11 0 "[ . 1 . 2]"
1 52 CYS 0.072 0.013 10 0 "[ . 1 . 2]"
1 53 LEU 1.335 0.097 3 0 "[ . 1 . 2]"
1 54 ALA 1.625 0.097 3 0 "[ . 1 . 2]"
1 55 LYS 0.872 0.048 13 0 "[ . 1 . 2]"
1 56 SER 0.095 0.015 15 0 "[ . 1 . 2]"
1 57 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 GLU 0.018 0.008 14 0 "[ . 1 . 2]"
1 59 ASN 0.057 0.025 4 0 "[ . 1 . 2]"
1 60 LEU 0.445 0.048 13 0 "[ . 1 . 2]"
1 61 VAL 0.302 0.041 13 0 "[ . 1 . 2]"
1 62 THR 0.006 0.004 7 0 "[ . 1 . 2]"
1 63 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 ARG 0.007 0.004 8 0 "[ . 1 . 2]"
1 65 TYR 0.035 0.013 10 0 "[ . 1 . 2]"
1 66 PHE 0.178 0.017 15 0 "[ . 1 . 2]"
1 67 LEU 0.751 0.202 8 0 "[ . 1 . 2]"
1 68 GLU 0.110 0.043 14 0 "[ . 1 . 2]"
1 69 MET 0.222 0.025 6 0 "[ . 1 . 2]"
1 70 GLN 0.077 0.034 14 0 "[ . 1 . 2]"
1 71 GLU 0.046 0.028 20 0 "[ . 1 . 2]"
1 72 LYS 0.148 0.028 20 0 "[ . 1 . 2]"
1 73 LEU 0.144 0.026 11 0 "[ . 1 . 2]"
1 74 GLU 0.067 0.014 6 0 "[ . 1 . 2]"
1 75 ARG 0.188 0.018 13 0 "[ . 1 . 2]"
1 76 LEU 0.135 0.013 10 0 "[ . 1 . 2]"
1 77 LEU 0.410 0.026 15 0 "[ . 1 . 2]"
1 78 GLN 0.804 0.037 9 0 "[ . 1 . 2]"
1 79 ASP 0.094 0.015 18 0 "[ . 1 . 2]"
1 80 ALA 0.393 0.056 13 0 "[ . 1 . 2]"
1 81 HIS 0.571 0.046 13 0 "[ . 1 . 2]"
1 82 GLU 0.016 0.016 12 0 "[ . 1 . 2]"
1 83 ARG 0.825 0.067 10 0 "[ . 1 . 2]"
1 84 SER 0.267 0.058 1 0 "[ . 1 . 2]"
1 85 ASP 0.329 0.043 1 0 "[ . 1 . 2]"
1 86 SER 0.107 0.035 18 0 "[ . 1 . 2]"
1 87 GLU 0.072 0.031 17 0 "[ . 1 . 2]"
1 88 GLU 0.806 0.043 1 0 "[ . 1 . 2]"
1 89 VAL 0.400 0.040 18 0 "[ . 1 . 2]"
1 90 SER 0.126 0.031 17 0 "[ . 1 . 2]"
1 91 PHE 0.285 0.061 17 0 "[ . 1 . 2]"
1 92 ILE 0.259 0.026 17 0 "[ . 1 . 2]"
1 93 VAL 0.649 0.056 13 0 "[ . 1 . 2]"
1 94 GLN 0.515 0.051 18 0 "[ . 1 . 2]"
1 95 LEU 0.589 0.031 2 0 "[ . 1 . 2]"
1 96 VAL 0.333 0.026 11 0 "[ . 1 . 2]"
1 97 ARG 0.399 0.059 11 0 "[ . 1 . 2]"
1 98 LYS 1.687 0.067 2 0 "[ . 1 . 2]"
1 99 LEU 0.141 0.011 13 0 "[ . 1 . 2]"
1 100 LEU 0.137 0.022 20 0 "[ . 1 . 2]"
1 101 ILE 0.201 0.059 11 0 "[ . 1 . 2]"
1 102 ILE 0.072 0.020 6 0 "[ . 1 . 2]"
1 103 ILE 0.163 0.017 15 0 "[ . 1 . 2]"
1 104 SER 0.412 0.049 15 0 "[ . 1 . 2]"
1 105 ARG 0.482 0.071 1 0 "[ . 1 . 2]"
1 106 PRO 0.211 0.038 15 0 "[ . 1 . 2]"
1 107 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 108 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 GLY QA 1 8 PRO QD . . 2.510 1.944 1.869 2.050 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY QA 1 8 PRO QG . . 3.980 3.681 3.643 3.824 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 12 ALA MB . . 5.500 5.287 4.700 5.504 0.004 5 0 "[ . 1 . 2]" 1
4 1 8 PRO HA 1 12 ALA MB . . 5.040 4.298 3.817 4.933 . 0 0 "[ . 1 . 2]" 1
5 1 8 PRO QB 1 12 ALA MB . . 3.980 2.269 1.760 3.142 . 0 0 "[ . 1 . 2]" 1
6 1 8 PRO HB2 1 12 ALA MB . . 4.670 2.297 1.780 3.212 . 0 0 "[ . 1 . 2]" 1
7 1 8 PRO HB3 1 12 ALA MB . . 4.670 3.610 2.756 4.458 . 0 0 "[ . 1 . 2]" 1
8 1 8 PRO QG 1 12 ALA HA . . 5.500 3.537 1.975 5.274 . 0 0 "[ . 1 . 2]" 1
9 1 8 PRO QG 1 12 ALA MB . . 5.050 2.249 1.865 2.697 . 0 0 "[ . 1 . 2]" 1
10 1 9 LYS H 1 9 LYS QG . . 4.810 3.420 2.247 4.194 . 0 0 "[ . 1 . 2]" 1
11 1 9 LYS H 1 12 ALA MB . . 5.160 3.786 2.630 4.692 . 0 0 "[ . 1 . 2]" 1
12 1 9 LYS HA 1 9 LYS QD . . 4.320 3.225 1.991 4.320 . 0 0 "[ . 1 . 2]" 1
13 1 9 LYS HA 1 9 LYS QG . . 3.590 2.571 2.221 3.343 . 0 0 "[ . 1 . 2]" 1
14 1 9 LYS HA 1 12 ALA MB . . 4.290 3.698 2.298 4.347 0.057 16 0 "[ . 1 . 2]" 1
15 1 9 LYS QB 1 9 LYS QD . . 3.250 2.206 2.032 2.441 . 0 0 "[ . 1 . 2]" 1
16 1 9 LYS QB 1 9 LYS QE . . 4.350 3.042 2.154 3.790 . 0 0 "[ . 1 . 2]" 1
17 1 9 LYS QD 1 9 LYS QG . . 2.340 2.055 2.024 2.092 . 0 0 "[ . 1 . 2]" 1
18 1 10 ALA MB 1 11 THR H . . 4.600 2.639 1.921 3.314 . 0 0 "[ . 1 . 2]" 1
19 1 10 ALA MB 1 11 THR HA . . 5.130 4.065 3.689 4.798 . 0 0 "[ . 1 . 2]" 1
20 1 10 ALA MB 1 11 THR HB . . 5.500 4.629 3.932 5.518 0.018 20 0 "[ . 1 . 2]" 1
21 1 11 THR H 1 11 THR MG . . 4.500 3.411 2.413 3.972 . 0 0 "[ . 1 . 2]" 1
22 1 11 THR HA 1 11 THR MG . . 3.140 2.167 2.035 2.321 . 0 0 "[ . 1 . 2]" 1
23 1 11 THR HA 1 12 ALA MB . . 5.500 4.662 4.259 4.999 . 0 0 "[ . 1 . 2]" 1
24 1 11 THR HB 1 12 ALA H . . 4.400 3.891 2.909 4.392 . 0 0 "[ . 1 . 2]" 1
25 1 11 THR HB 1 12 ALA MB . . 5.500 5.039 4.372 5.478 . 0 0 "[ . 1 . 2]" 1
26 1 11 THR HB 1 14 MET ME . . 4.440 4.113 3.061 4.432 . 0 0 "[ . 1 . 2]" 1
27 1 11 THR HB 1 15 GLU H . . 5.250 4.464 2.952 5.212 . 0 0 "[ . 1 . 2]" 1
28 1 11 THR HB 1 15 GLU HG2 . . 5.000 4.437 3.378 4.994 . 0 0 "[ . 1 . 2]" 1
29 1 11 THR HB 1 15 GLU HG3 . . 4.650 3.525 2.678 4.634 . 0 0 "[ . 1 . 2]" 1
30 1 11 THR MG 1 12 ALA H . . 5.130 4.127 3.648 4.409 . 0 0 "[ . 1 . 2]" 1
31 1 11 THR MG 1 14 MET ME . . 3.440 2.606 2.005 3.433 . 0 0 "[ . 1 . 2]" 1
32 1 11 THR MG 1 15 GLU H . . 5.190 3.865 3.109 4.781 . 0 0 "[ . 1 . 2]" 1
33 1 11 THR MG 1 15 GLU HG2 . . 4.730 4.208 3.219 4.731 0.001 5 0 "[ . 1 . 2]" 1
34 1 11 THR MG 1 15 GLU HG3 . . 4.320 3.725 2.670 4.322 0.002 2 0 "[ . 1 . 2]" 1
35 1 11 THR MG 1 56 SER QB . . 4.630 3.020 2.198 3.869 . 0 0 "[ . 1 . 2]" 1
36 1 11 THR MG 1 61 VAL HB . . 5.500 5.380 4.978 5.503 0.003 10 0 "[ . 1 . 2]" 1
37 1 11 THR MG 1 61 VAL MG1 . . 4.920 4.711 4.447 4.912 . 0 0 "[ . 1 . 2]" 1
38 1 11 THR MG 1 61 VAL MG2 . . 3.780 3.236 2.809 3.543 . 0 0 "[ . 1 . 2]" 1
39 1 11 THR MG 1 66 PHE QE . . 4.890 4.523 4.234 4.833 . 0 0 "[ . 1 . 2]" 1
40 1 11 THR MG 1 66 PHE HZ . . 5.000 3.944 3.692 4.481 . 0 0 "[ . 1 . 2]" 1
41 1 12 ALA H 1 12 ALA MB . . 3.420 2.191 2.028 2.310 . 0 0 "[ . 1 . 2]" 1
42 1 12 ALA HA 1 15 GLU H . . 4.030 3.741 3.315 4.022 . 0 0 "[ . 1 . 2]" 1
43 1 12 ALA HA 1 15 GLU HB2 . . 3.330 3.146 2.651 3.330 . 20 0 "[ . 1 . 2]" 1
44 1 12 ALA HA 1 15 GLU HB3 . . 5.500 4.663 4.165 4.919 . 0 0 "[ . 1 . 2]" 1
45 1 12 ALA HA 1 15 GLU HG2 . . 5.250 4.666 3.791 5.118 . 0 0 "[ . 1 . 2]" 1
46 1 12 ALA HA 1 15 GLU HG3 . . 4.480 3.077 2.556 3.420 . 0 0 "[ . 1 . 2]" 1
47 1 12 ALA HA 1 16 GLY H . . 5.160 4.449 4.041 4.762 . 0 0 "[ . 1 . 2]" 1
48 1 12 ALA MB 1 13 GLN H . . 5.500 2.239 1.914 2.661 . 0 0 "[ . 1 . 2]" 1
49 1 12 ALA MB 1 13 GLN QB . . 3.820 3.696 3.496 3.814 . 0 0 "[ . 1 . 2]" 1
50 1 12 ALA MB 1 13 GLN QG . . 5.340 5.089 4.088 5.306 . 0 0 "[ . 1 . 2]" 1
51 1 12 ALA MB 1 15 GLU H . . 5.250 4.801 4.487 5.034 . 0 0 "[ . 1 . 2]" 1
52 1 12 ALA MB 1 15 GLU HB2 . . 4.740 4.315 3.759 4.679 . 0 0 "[ . 1 . 2]" 1
53 1 12 ALA MB 1 15 GLU HG3 . . 4.870 4.593 4.201 4.858 . 0 0 "[ . 1 . 2]" 1
54 1 13 GLN H 1 13 GLN QB . . 3.120 2.224 2.153 2.270 . 0 0 "[ . 1 . 2]" 1
55 1 13 GLN HA 1 13 GLN HG2 . . 3.750 3.411 2.739 3.781 0.031 20 0 "[ . 1 . 2]" 1
56 1 13 GLN HA 1 13 GLN HG3 . . 3.750 2.684 2.276 3.650 . 0 0 "[ . 1 . 2]" 1
57 1 13 GLN HA 1 15 GLU H . . 5.500 4.799 4.453 5.057 . 0 0 "[ . 1 . 2]" 1
58 1 13 GLN HA 1 17 ARG QD . . 5.500 5.371 5.004 5.500 . 0 0 "[ . 1 . 2]" 1
59 1 13 GLN QB 1 14 MET H . . 3.650 2.462 2.034 3.304 . 0 0 "[ . 1 . 2]" 1
60 1 13 GLN QG 1 17 ARG QD . . 4.270 3.355 2.884 3.832 . 0 0 "[ . 1 . 2]" 1
61 1 13 GLN QG 1 17 ARG HG3 . . 4.550 3.606 2.963 4.134 . 0 0 "[ . 1 . 2]" 1
62 1 13 GLN HG2 1 17 ARG QD . . 4.880 3.922 2.943 4.849 . 0 0 "[ . 1 . 2]" 1
63 1 13 GLN HG3 1 17 ARG QD . . 4.880 4.158 3.085 4.886 0.006 3 0 "[ . 1 . 2]" 1
64 1 14 MET H 1 14 MET ME . . 5.500 5.324 5.156 5.506 0.006 3 0 "[ . 1 . 2]" 1
65 1 14 MET H 1 15 GLU H . . 4.340 2.938 2.728 3.193 . 0 0 "[ . 1 . 2]" 1
66 1 14 MET HA 1 14 MET HG2 . . 3.890 2.983 2.544 3.298 . 0 0 "[ . 1 . 2]" 1
67 1 14 MET HA 1 14 MET QG . . 3.300 2.541 2.359 2.701 . 0 0 "[ . 1 . 2]" 1
68 1 14 MET HA 1 14 MET HG3 . . 3.890 3.049 2.437 3.769 . 0 0 "[ . 1 . 2]" 1
69 1 14 MET HA 1 17 ARG HB2 . . 4.490 3.260 3.010 3.514 . 0 0 "[ . 1 . 2]" 1
70 1 14 MET HA 1 17 ARG HB3 . . 4.860 4.679 4.518 4.856 . 0 0 "[ . 1 . 2]" 1
71 1 14 MET HA 1 17 ARG QD . . 4.110 2.301 1.856 2.882 . 0 0 "[ . 1 . 2]" 1
72 1 14 MET HA 1 17 ARG HG2 . . 4.920 4.473 4.151 4.824 . 0 0 "[ . 1 . 2]" 1
73 1 14 MET HA 1 18 LEU H . . 4.910 4.563 4.361 4.858 . 0 0 "[ . 1 . 2]" 1
74 1 14 MET HA 1 18 LEU MD1 . . 5.340 5.079 4.832 5.255 . 0 0 "[ . 1 . 2]" 1
75 1 14 MET HA 1 102 ILE MG . . 3.610 3.336 3.058 3.608 . 0 0 "[ . 1 . 2]" 1
76 1 14 MET QB 1 15 GLU H . . 4.160 2.326 2.181 2.651 . 0 0 "[ . 1 . 2]" 1
77 1 14 MET QB 1 102 ILE MG . . 5.000 3.967 3.637 4.270 . 0 0 "[ . 1 . 2]" 1
78 1 14 MET ME 1 14 MET HG2 . . 3.590 2.506 1.999 3.108 . 0 0 "[ . 1 . 2]" 1
79 1 14 MET ME 1 14 MET QG . . 2.940 2.095 1.966 2.186 . 0 0 "[ . 1 . 2]" 1
80 1 14 MET ME 1 14 MET HG3 . . 3.590 2.681 1.988 3.216 . 0 0 "[ . 1 . 2]" 1
81 1 14 MET ME 1 15 GLU H . . 4.390 4.110 3.707 4.358 . 0 0 "[ . 1 . 2]" 1
82 1 14 MET ME 1 18 LEU HB2 . . 5.120 4.721 4.371 5.119 . 0 0 "[ . 1 . 2]" 1
83 1 14 MET ME 1 18 LEU MD1 . . 3.090 2.249 1.961 2.649 . 0 0 "[ . 1 . 2]" 1
84 1 14 MET ME 1 52 CYS HA . . 5.200 4.760 4.266 5.116 . 0 0 "[ . 1 . 2]" 1
85 1 14 MET ME 1 52 CYS HB2 . . 5.080 4.750 4.244 5.081 0.001 9 0 "[ . 1 . 2]" 1
86 1 14 MET ME 1 53 LEU H . . 5.500 5.067 4.598 5.488 . 0 0 "[ . 1 . 2]" 1
87 1 14 MET ME 1 55 LYS HB2 . . 5.500 5.010 4.456 5.388 . 0 0 "[ . 1 . 2]" 1
88 1 14 MET ME 1 56 SER H . . 4.850 4.168 3.757 4.563 . 0 0 "[ . 1 . 2]" 1
89 1 14 MET ME 1 56 SER HA . . 5.470 4.277 3.998 4.581 . 0 0 "[ . 1 . 2]" 1
90 1 14 MET ME 1 56 SER HB2 . . 3.720 3.041 2.159 3.670 . 0 0 "[ . 1 . 2]" 1
91 1 14 MET ME 1 56 SER HB3 . . 3.720 3.104 1.991 3.717 . 0 0 "[ . 1 . 2]" 1
92 1 14 MET ME 1 61 VAL MG1 . . 3.850 3.269 2.915 3.548 . 0 0 "[ . 1 . 2]" 1
93 1 14 MET ME 1 61 VAL MG2 . . 3.260 3.047 2.753 3.265 0.005 9 0 "[ . 1 . 2]" 1
94 1 14 MET ME 1 66 PHE QE . . 3.630 2.865 2.399 3.320 . 0 0 "[ . 1 . 2]" 1
95 1 14 MET ME 1 66 PHE HZ . . 3.500 2.553 1.980 3.166 . 0 0 "[ . 1 . 2]" 1
96 1 14 MET ME 1 102 ILE HA . . 5.500 5.431 5.158 5.504 0.004 3 0 "[ . 1 . 2]" 1
97 1 14 MET ME 1 103 ILE HA . . 3.450 2.048 1.904 2.237 . 0 0 "[ . 1 . 2]" 1
98 1 14 MET ME 1 103 ILE HG12 . . 5.500 5.224 4.961 5.453 . 0 0 "[ . 1 . 2]" 1
99 1 14 MET ME 1 103 ILE MG . . 3.500 3.229 2.811 3.509 0.009 6 0 "[ . 1 . 2]" 1
100 1 14 MET QG 1 17 ARG QD . . 5.050 3.394 2.781 3.738 . 0 0 "[ . 1 . 2]" 1
101 1 14 MET QG 1 18 LEU MD1 . . 3.360 2.756 2.370 3.326 . 0 0 "[ . 1 . 2]" 1
102 1 14 MET QG 1 18 LEU MD2 . . 5.180 4.767 4.546 5.120 . 0 0 "[ . 1 . 2]" 1
103 1 14 MET QG 1 18 LEU HG . . 4.190 3.798 3.536 4.159 . 0 0 "[ . 1 . 2]" 1
104 1 14 MET QG 1 102 ILE MG . . 3.130 2.273 1.986 2.601 . 0 0 "[ . 1 . 2]" 1
105 1 14 MET QG 1 103 ILE HA . . 4.210 3.082 2.648 3.528 . 0 0 "[ . 1 . 2]" 1
106 1 14 MET QG 1 103 ILE MG . . 4.810 4.320 4.066 4.612 . 0 0 "[ . 1 . 2]" 1
107 1 14 MET HG2 1 18 LEU MD1 . . 3.970 2.856 2.410 3.591 . 0 0 "[ . 1 . 2]" 1
108 1 14 MET HG2 1 102 ILE MG . . 3.600 2.646 2.008 3.240 . 0 0 "[ . 1 . 2]" 1
109 1 14 MET HG2 1 103 ILE HA . . 5.030 3.697 3.429 4.045 . 0 0 "[ . 1 . 2]" 1
110 1 14 MET HG3 1 18 LEU MD1 . . 3.970 3.720 3.466 3.929 . 0 0 "[ . 1 . 2]" 1
111 1 14 MET HG3 1 102 ILE MG . . 3.600 2.842 2.173 3.519 . 0 0 "[ . 1 . 2]" 1
112 1 14 MET HG3 1 103 ILE HA . . 5.030 3.326 2.756 3.937 . 0 0 "[ . 1 . 2]" 1
113 1 15 GLU H 1 15 GLU HB2 . . 3.150 2.575 2.473 2.671 . 0 0 "[ . 1 . 2]" 1
114 1 15 GLU H 1 15 GLU HB3 . . 4.000 3.603 3.593 3.619 . 0 0 "[ . 1 . 2]" 1
115 1 15 GLU H 1 15 GLU HG2 . . 3.490 3.011 2.306 3.367 . 0 0 "[ . 1 . 2]" 1
116 1 15 GLU H 1 15 GLU HG3 . . 3.420 2.299 1.921 3.324 . 0 0 "[ . 1 . 2]" 1
117 1 15 GLU H 1 16 GLY H . . 3.630 3.050 2.870 3.199 . 0 0 "[ . 1 . 2]" 1
118 1 15 GLU H 1 18 LEU MD1 . . 4.690 4.441 4.189 4.607 . 0 0 "[ . 1 . 2]" 1
119 1 15 GLU H 1 53 LEU MD2 . . 4.570 4.325 4.177 4.502 . 0 0 "[ . 1 . 2]" 1
120 1 15 GLU H 1 102 ILE MG . . 5.500 5.001 4.803 5.199 . 0 0 "[ . 1 . 2]" 1
121 1 15 GLU HA 1 15 GLU HG2 . . 3.800 2.429 2.320 2.682 . 0 0 "[ . 1 . 2]" 1
122 1 15 GLU HA 1 15 GLU HG3 . . 3.760 3.265 2.969 3.725 . 0 0 "[ . 1 . 2]" 1
123 1 15 GLU HA 1 17 ARG H . . 5.220 4.113 3.831 4.309 . 0 0 "[ . 1 . 2]" 1
124 1 15 GLU HA 1 18 LEU H . . 4.100 3.623 3.426 3.829 . 0 0 "[ . 1 . 2]" 1
125 1 15 GLU HA 1 18 LEU HB2 . . 3.750 2.866 2.756 3.009 . 0 0 "[ . 1 . 2]" 1
126 1 15 GLU HA 1 18 LEU HB3 . . 4.660 4.469 4.360 4.589 . 0 0 "[ . 1 . 2]" 1
127 1 15 GLU HA 1 18 LEU MD1 . . 3.430 2.706 2.386 2.983 . 0 0 "[ . 1 . 2]" 1
128 1 15 GLU HA 1 18 LEU HG . . 4.880 4.527 4.161 4.880 . 0 0 "[ . 1 . 2]" 1
129 1 15 GLU HA 1 19 GLN H . . 4.750 4.551 4.363 4.723 . 0 0 "[ . 1 . 2]" 1
130 1 15 GLU HA 1 53 LEU MD2 . . 3.160 2.044 1.950 2.227 . 0 0 "[ . 1 . 2]" 1
131 1 15 GLU HA 1 102 ILE MG . . 4.560 4.353 4.093 4.580 0.020 6 0 "[ . 1 . 2]" 1
132 1 15 GLU HB2 1 16 GLY H . . 3.490 2.325 2.165 2.523 . 0 0 "[ . 1 . 2]" 1
133 1 15 GLU HB3 1 16 GLY H . . 3.750 3.320 3.016 3.561 . 0 0 "[ . 1 . 2]" 1
134 1 15 GLU HB3 1 16 GLY HA2 . . 5.100 4.270 4.106 4.401 . 0 0 "[ . 1 . 2]" 1
135 1 15 GLU HB3 1 16 GLY HA3 . . 5.500 5.095 4.896 5.238 . 0 0 "[ . 1 . 2]" 1
136 1 15 GLU HB3 1 53 LEU HB3 . . 4.770 4.666 4.439 4.772 0.002 6 0 "[ . 1 . 2]" 1
137 1 15 GLU HB3 1 53 LEU MD2 . . 3.760 2.428 2.207 2.684 . 0 0 "[ . 1 . 2]" 1
138 1 15 GLU HG2 1 16 GLY H . . 4.890 4.764 4.405 4.880 . 0 0 "[ . 1 . 2]" 1
139 1 15 GLU HG2 1 18 LEU MD1 . . 4.360 3.745 3.401 4.274 . 0 0 "[ . 1 . 2]" 1
140 1 15 GLU HG2 1 53 LEU HB3 . . 5.500 5.076 4.641 5.509 0.009 6 0 "[ . 1 . 2]" 1
141 1 15 GLU HG2 1 53 LEU MD2 . . 3.790 2.998 2.586 3.449 . 0 0 "[ . 1 . 2]" 1
142 1 15 GLU HG2 1 56 SER HB2 . . 4.680 2.818 2.004 3.608 . 0 0 "[ . 1 . 2]" 1
143 1 15 GLU HG2 1 56 SER QB . . 3.800 2.304 1.883 3.182 . 0 0 "[ . 1 . 2]" 1
144 1 15 GLU HG2 1 56 SER HB3 . . 4.680 2.800 2.012 3.917 . 0 0 "[ . 1 . 2]" 1
145 1 15 GLU HG3 1 16 GLY H . . 4.520 4.250 4.066 4.439 . 0 0 "[ . 1 . 2]" 1
146 1 15 GLU HG3 1 53 LEU MD2 . . 4.290 4.152 3.815 4.296 0.006 15 0 "[ . 1 . 2]" 1
147 1 15 GLU HG3 1 56 SER HB2 . . 5.130 3.680 3.052 4.504 . 0 0 "[ . 1 . 2]" 1
148 1 15 GLU HG3 1 56 SER QB . . 4.510 3.004 2.051 3.880 . 0 0 "[ . 1 . 2]" 1
149 1 15 GLU HG3 1 56 SER HB3 . . 5.130 3.431 2.084 4.874 . 0 0 "[ . 1 . 2]" 1
150 1 16 GLY H 1 17 ARG H . . 3.440 2.904 2.785 2.997 . 0 0 "[ . 1 . 2]" 1
151 1 16 GLY H 1 17 ARG HG3 . . 4.880 4.534 4.216 4.751 . 0 0 "[ . 1 . 2]" 1
152 1 16 GLY H 1 18 LEU H . . 5.210 4.854 4.651 5.113 . 0 0 "[ . 1 . 2]" 1
153 1 16 GLY H 1 53 LEU MD2 . . 4.660 4.313 4.093 4.474 . 0 0 "[ . 1 . 2]" 1
154 1 16 GLY HA2 1 19 GLN H . . 4.000 3.856 3.708 3.999 . 0 0 "[ . 1 . 2]" 1
155 1 16 GLY HA2 1 19 GLN HB2 . . 4.110 3.369 3.147 3.558 . 0 0 "[ . 1 . 2]" 1
156 1 16 GLY HA2 1 19 GLN HB3 . . 4.870 4.663 4.422 4.857 . 0 0 "[ . 1 . 2]" 1
157 1 16 GLY HA2 1 19 GLN QG . . 4.770 2.685 2.491 2.967 . 0 0 "[ . 1 . 2]" 1
158 1 16 GLY HA3 1 17 ARG H . . 3.420 2.871 2.814 2.996 . 0 0 "[ . 1 . 2]" 1
159 1 16 GLY HA3 1 17 ARG HB2 . . 5.500 5.336 5.220 5.462 . 0 0 "[ . 1 . 2]" 1
160 1 16 GLY HA3 1 17 ARG HG2 . . 5.500 5.277 4.813 5.489 . 0 0 "[ . 1 . 2]" 1
161 1 16 GLY HA3 1 19 GLN H . . 5.010 4.899 4.746 5.010 . 0 0 "[ . 1 . 2]" 1
162 1 16 GLY HA3 1 19 GLN HB2 . . 5.380 4.645 4.438 4.791 . 0 0 "[ . 1 . 2]" 1
163 1 17 ARG H 1 17 ARG HB2 . . 3.340 2.498 2.393 2.584 . 0 0 "[ . 1 . 2]" 1
164 1 17 ARG H 1 17 ARG QD . . 4.270 3.654 3.292 3.954 . 0 0 "[ . 1 . 2]" 1
165 1 17 ARG H 1 17 ARG HG2 . . 3.750 3.463 3.170 3.675 . 0 0 "[ . 1 . 2]" 1
166 1 17 ARG H 1 17 ARG HG3 . . 3.290 2.206 2.014 2.393 . 0 0 "[ . 1 . 2]" 1
167 1 17 ARG H 1 18 LEU H . . 3.380 2.837 2.684 2.967 . 0 0 "[ . 1 . 2]" 1
168 1 17 ARG H 1 18 LEU HB2 . . 4.790 4.513 4.347 4.581 . 0 0 "[ . 1 . 2]" 1
169 1 17 ARG H 1 19 GLN H . . 4.570 3.998 3.822 4.137 . 0 0 "[ . 1 . 2]" 1
170 1 17 ARG H 1 19 GLN QG . . 4.900 4.528 4.264 4.742 . 0 0 "[ . 1 . 2]" 1
171 1 17 ARG H 1 102 ILE MG . . 4.090 3.863 3.759 3.974 . 0 0 "[ . 1 . 2]" 1
172 1 17 ARG HA 1 17 ARG QD . . 4.420 4.163 4.031 4.254 . 0 0 "[ . 1 . 2]" 1
173 1 17 ARG HA 1 17 ARG HG2 . . 3.820 2.623 2.500 2.872 . 0 0 "[ . 1 . 2]" 1
174 1 17 ARG HA 1 17 ARG HG3 . . 3.630 3.029 2.855 3.297 . 0 0 "[ . 1 . 2]" 1
175 1 17 ARG HA 1 19 GLN H . . 4.960 4.016 3.786 4.158 . 0 0 "[ . 1 . 2]" 1
176 1 17 ARG HA 1 19 GLN HB2 . . 5.100 4.639 4.453 4.771 . 0 0 "[ . 1 . 2]" 1
177 1 17 ARG HA 1 19 GLN QG . . 5.260 5.188 4.975 5.269 0.009 6 0 "[ . 1 . 2]" 1
178 1 17 ARG HA 1 20 GLU H . . 3.750 3.381 3.288 3.499 . 0 0 "[ . 1 . 2]" 1
179 1 17 ARG HA 1 21 PHE H . . 4.830 4.273 4.132 4.490 . 0 0 "[ . 1 . 2]" 1
180 1 17 ARG HA 1 102 ILE MG . . 4.210 4.135 3.914 4.211 0.001 4 0 "[ . 1 . 2]" 1
181 1 17 ARG HB2 1 17 ARG QD . . 3.400 2.334 2.090 2.561 . 0 0 "[ . 1 . 2]" 1
182 1 17 ARG HB2 1 18 LEU H . . 3.700 2.171 1.969 2.301 . 0 0 "[ . 1 . 2]" 1
183 1 17 ARG HB2 1 18 LEU HB2 . . 5.400 4.377 4.198 4.513 . 0 0 "[ . 1 . 2]" 1
184 1 17 ARG HB2 1 19 GLN H . . 5.500 4.674 4.516 4.846 . 0 0 "[ . 1 . 2]" 1
185 1 17 ARG HB2 1 102 ILE HA . . 5.060 4.209 4.006 4.488 . 0 0 "[ . 1 . 2]" 1
186 1 17 ARG HB2 1 102 ILE MG . . 3.010 1.925 1.811 2.050 . 0 0 "[ . 1 . 2]" 1
187 1 17 ARG HB3 1 17 ARG QD . . 3.670 2.691 2.292 2.965 . 0 0 "[ . 1 . 2]" 1
188 1 17 ARG HB3 1 102 ILE MD . . 3.700 3.447 3.240 3.699 . 0 0 "[ . 1 . 2]" 1
189 1 17 ARG HB3 1 102 ILE QG . . 4.860 2.820 2.395 3.093 . 0 0 "[ . 1 . 2]" 1
190 1 17 ARG HB3 1 102 ILE MG . . 3.850 2.451 2.115 2.692 . 0 0 "[ . 1 . 2]" 1
191 1 17 ARG QD 1 18 LEU H . . 5.140 4.243 3.902 4.430 . 0 0 "[ . 1 . 2]" 1
192 1 17 ARG QD 1 102 ILE HA . . 4.370 3.112 2.795 3.444 . 0 0 "[ . 1 . 2]" 1
193 1 17 ARG QD 1 102 ILE QG . . 4.180 3.437 2.707 4.002 . 0 0 "[ . 1 . 2]" 1
194 1 17 ARG QD 1 102 ILE MG . . 3.730 2.343 2.064 2.551 . 0 0 "[ . 1 . 2]" 1
195 1 17 ARG HG2 1 18 LEU H . . 4.890 4.805 4.645 4.895 0.005 5 0 "[ . 1 . 2]" 1
196 1 17 ARG HG2 1 102 ILE MG . . 4.390 4.055 3.880 4.177 . 0 0 "[ . 1 . 2]" 1
197 1 18 LEU H 1 18 LEU HB2 . . 3.340 2.287 2.240 2.326 . 0 0 "[ . 1 . 2]" 1
198 1 18 LEU H 1 18 LEU HB3 . . 3.710 3.553 3.528 3.573 . 0 0 "[ . 1 . 2]" 1
199 1 18 LEU H 1 18 LEU MD1 . . 3.770 3.348 3.280 3.474 . 0 0 "[ . 1 . 2]" 1
200 1 18 LEU H 1 18 LEU MD2 . . 4.110 4.042 3.913 4.085 . 0 0 "[ . 1 . 2]" 1
201 1 18 LEU H 1 18 LEU HG . . 3.280 2.806 2.706 2.870 . 0 0 "[ . 1 . 2]" 1
202 1 18 LEU H 1 19 GLN H . . 3.470 2.925 2.830 2.995 . 0 0 "[ . 1 . 2]" 1
203 1 18 LEU H 1 20 GLU H . . 5.210 4.654 4.497 4.790 . 0 0 "[ . 1 . 2]" 1
204 1 18 LEU H 1 21 PHE HB2 . . 5.500 5.195 5.009 5.415 . 0 0 "[ . 1 . 2]" 1
205 1 18 LEU H 1 21 PHE HB3 . . 5.040 4.737 4.553 4.928 . 0 0 "[ . 1 . 2]" 1
206 1 18 LEU H 1 53 LEU MD2 . . 4.410 3.591 3.413 3.715 . 0 0 "[ . 1 . 2]" 1
207 1 18 LEU H 1 102 ILE MD . . 5.000 3.978 3.653 4.232 . 0 0 "[ . 1 . 2]" 1
208 1 18 LEU H 1 102 ILE MG . . 3.540 2.323 2.105 2.553 . 0 0 "[ . 1 . 2]" 1
209 1 18 LEU HA 1 18 LEU MD2 . . 3.100 2.507 2.322 2.614 . 0 0 "[ . 1 . 2]" 1
210 1 18 LEU HA 1 18 LEU HG . . 3.740 2.493 2.460 2.609 . 0 0 "[ . 1 . 2]" 1
211 1 18 LEU HA 1 21 PHE H . . 3.670 3.408 3.305 3.536 . 0 0 "[ . 1 . 2]" 1
212 1 18 LEU HA 1 21 PHE HB2 . . 3.910 3.165 2.987 3.300 . 0 0 "[ . 1 . 2]" 1
213 1 18 LEU HA 1 21 PHE HB3 . . 3.670 2.314 2.122 2.424 . 0 0 "[ . 1 . 2]" 1
214 1 18 LEU HA 1 21 PHE QD . . 4.540 3.531 3.237 3.779 . 0 0 "[ . 1 . 2]" 1
215 1 18 LEU HA 1 22 LEU H . . 4.750 4.453 4.280 4.655 . 0 0 "[ . 1 . 2]" 1
216 1 18 LEU HA 1 49 ALA MB . . 4.530 4.163 4.019 4.288 . 0 0 "[ . 1 . 2]" 1
217 1 18 LEU HA 1 53 LEU MD2 . . 4.630 4.373 4.162 4.553 . 0 0 "[ . 1 . 2]" 1
218 1 18 LEU HA 1 99 LEU MD1 . . 4.590 4.507 4.290 4.601 0.011 16 0 "[ . 1 . 2]" 1
219 1 18 LEU HA 1 102 ILE MD . . 3.770 2.678 2.234 3.014 . 0 0 "[ . 1 . 2]" 1
220 1 18 LEU HA 1 102 ILE MG . . 3.810 2.647 2.368 3.008 . 0 0 "[ . 1 . 2]" 1
221 1 18 LEU HB2 1 18 LEU MD1 . . 3.270 2.104 1.994 2.206 . 0 0 "[ . 1 . 2]" 1
222 1 18 LEU HB2 1 18 LEU MD2 . . 3.480 3.132 3.113 3.158 . 0 0 "[ . 1 . 2]" 1
223 1 18 LEU HB2 1 19 GLN H . . 4.300 2.914 2.802 3.056 . 0 0 "[ . 1 . 2]" 1
224 1 18 LEU HB2 1 49 ALA MB . . 5.500 5.130 4.931 5.252 . 0 0 "[ . 1 . 2]" 1
225 1 18 LEU HB2 1 53 LEU HB3 . . 5.500 5.058 4.903 5.199 . 0 0 "[ . 1 . 2]" 1
226 1 18 LEU HB2 1 53 LEU MD2 . . 4.010 1.966 1.829 2.088 . 0 0 "[ . 1 . 2]" 1
227 1 18 LEU HB2 1 102 ILE MG . . 4.080 3.438 3.230 3.708 . 0 0 "[ . 1 . 2]" 1
228 1 18 LEU HB3 1 18 LEU MD2 . . 3.350 2.117 2.016 2.256 . 0 0 "[ . 1 . 2]" 1
229 1 18 LEU HB3 1 19 GLN H . . 3.970 3.397 3.287 3.543 . 0 0 "[ . 1 . 2]" 1
230 1 18 LEU HB3 1 19 GLN HA . . 4.920 4.073 4.029 4.131 . 0 0 "[ . 1 . 2]" 1
231 1 18 LEU HB3 1 22 LEU HG . . 5.080 4.344 4.140 4.512 . 0 0 "[ . 1 . 2]" 1
232 1 18 LEU HB3 1 53 LEU H . . 4.780 4.204 3.977 4.514 . 0 0 "[ . 1 . 2]" 1
233 1 18 LEU HB3 1 53 LEU HB2 . . 5.450 4.439 4.317 4.649 . 0 0 "[ . 1 . 2]" 1
234 1 18 LEU HB3 1 53 LEU MD1 . . 4.040 2.457 2.144 2.710 . 0 0 "[ . 1 . 2]" 1
235 1 18 LEU HB3 1 53 LEU MD2 . . 3.680 2.671 2.455 2.903 . 0 0 "[ . 1 . 2]" 1
236 1 18 LEU HB3 1 102 ILE MG . . 4.410 4.104 3.971 4.390 . 0 0 "[ . 1 . 2]" 1
237 1 18 LEU MD1 1 49 ALA HA . . 4.430 4.251 4.069 4.404 . 0 0 "[ . 1 . 2]" 1
238 1 18 LEU MD1 1 52 CYS HA . . 4.350 4.275 4.145 4.363 0.013 10 0 "[ . 1 . 2]" 1
239 1 18 LEU MD1 1 52 CYS HB2 . . 4.060 3.298 3.178 3.454 . 0 0 "[ . 1 . 2]" 1
240 1 18 LEU MD1 1 52 CYS HB3 . . 4.240 1.968 1.924 2.024 . 0 0 "[ . 1 . 2]" 1
241 1 18 LEU MD1 1 53 LEU H . . 3.410 2.864 2.605 3.125 . 0 0 "[ . 1 . 2]" 1
242 1 18 LEU MD1 1 53 LEU HA . . 3.210 2.802 2.569 3.202 . 0 0 "[ . 1 . 2]" 1
243 1 18 LEU MD1 1 53 LEU HG . . 3.310 2.256 1.982 2.501 . 0 0 "[ . 1 . 2]" 1
244 1 18 LEU MD1 1 56 SER H . . 5.140 4.860 4.687 5.152 0.012 9 0 "[ . 1 . 2]" 1
245 1 18 LEU MD1 1 56 SER QB . . 4.260 3.884 3.517 4.255 . 0 0 "[ . 1 . 2]" 1
246 1 18 LEU MD1 1 99 LEU MD1 . . 4.670 3.862 3.563 4.113 . 0 0 "[ . 1 . 2]" 1
247 1 18 LEU MD1 1 103 ILE HA . . 4.140 3.241 2.694 3.480 . 0 0 "[ . 1 . 2]" 1
248 1 18 LEU MD2 1 19 GLN H . . 4.940 4.762 4.691 4.850 . 0 0 "[ . 1 . 2]" 1
249 1 18 LEU MD2 1 21 PHE HB2 . . 4.470 4.332 4.107 4.475 0.005 10 0 "[ . 1 . 2]" 1
250 1 18 LEU MD2 1 21 PHE HB3 . . 4.300 3.523 3.362 3.697 . 0 0 "[ . 1 . 2]" 1
251 1 18 LEU MD2 1 21 PHE QD . . 4.230 3.014 2.666 3.235 . 0 0 "[ . 1 . 2]" 1
252 1 18 LEU MD2 1 22 LEU H . . 5.330 4.986 4.794 5.089 . 0 0 "[ . 1 . 2]" 1
253 1 18 LEU MD2 1 22 LEU HG . . 4.830 3.976 3.688 4.166 . 0 0 "[ . 1 . 2]" 1
254 1 18 LEU MD2 1 49 ALA H . . 4.760 4.589 4.453 4.739 . 0 0 "[ . 1 . 2]" 1
255 1 18 LEU MD2 1 49 ALA HA . . 3.550 2.630 2.475 2.751 . 0 0 "[ . 1 . 2]" 1
256 1 18 LEU MD2 1 49 ALA MB . . 3.140 2.060 1.847 2.215 . 0 0 "[ . 1 . 2]" 1
257 1 18 LEU MD2 1 50 ARG H . . 5.410 4.423 4.208 4.607 . 0 0 "[ . 1 . 2]" 1
258 1 18 LEU MD2 1 52 CYS H . . 4.470 4.181 4.052 4.390 . 0 0 "[ . 1 . 2]" 1
259 1 18 LEU MD2 1 52 CYS HB2 . . 4.110 3.145 2.949 3.405 . 0 0 "[ . 1 . 2]" 1
260 1 18 LEU MD2 1 52 CYS HB3 . . 4.190 2.347 2.175 2.563 . 0 0 "[ . 1 . 2]" 1
261 1 18 LEU MD2 1 53 LEU H . . 4.290 3.402 3.255 3.788 . 0 0 "[ . 1 . 2]" 1
262 1 18 LEU MD2 1 69 MET ME . . 3.860 3.556 3.326 3.835 . 0 0 "[ . 1 . 2]" 1
263 1 18 LEU MD2 1 99 LEU MD1 . . 2.800 2.218 1.929 2.432 . 0 0 "[ . 1 . 2]" 1
264 1 18 LEU MD2 1 99 LEU MD2 . . 4.370 4.188 3.953 4.369 . 0 0 "[ . 1 . 2]" 1
265 1 18 LEU MD2 1 102 ILE HB . . 3.620 3.293 3.032 3.625 0.005 16 0 "[ . 1 . 2]" 1
266 1 18 LEU MD2 1 103 ILE MG . . 3.000 2.684 2.280 2.910 . 0 0 "[ . 1 . 2]" 1
267 1 18 LEU HG 1 19 GLN H . . 5.090 4.854 4.811 4.897 . 0 0 "[ . 1 . 2]" 1
268 1 18 LEU HG 1 53 LEU MD2 . . 4.330 4.031 3.847 4.244 . 0 0 "[ . 1 . 2]" 1
269 1 18 LEU HG 1 102 ILE MD . . 3.950 3.302 2.843 3.638 . 0 0 "[ . 1 . 2]" 1
270 1 18 LEU HG 1 102 ILE MG . . 3.130 1.862 1.776 1.960 . 0 0 "[ . 1 . 2]" 1
271 1 18 LEU HG 1 103 ILE MG . . 4.590 3.550 3.291 3.702 . 0 0 "[ . 1 . 2]" 1
272 1 19 GLN H 1 19 GLN HB2 . . 3.450 2.565 2.518 2.630 . 0 0 "[ . 1 . 2]" 1
273 1 19 GLN H 1 19 GLN HB3 . . 3.630 3.590 3.585 3.594 . 0 0 "[ . 1 . 2]" 1
274 1 19 GLN H 1 19 GLN HG2 . . 3.720 2.933 1.961 3.262 . 0 0 "[ . 1 . 2]" 1
275 1 19 GLN H 1 19 GLN QG . . 3.240 2.109 1.945 2.262 . 0 0 "[ . 1 . 2]" 1
276 1 19 GLN H 1 19 GLN HG3 . . 3.720 2.340 2.046 3.377 . 0 0 "[ . 1 . 2]" 1
277 1 19 GLN H 1 20 GLU H . . 3.380 2.784 2.701 2.871 . 0 0 "[ . 1 . 2]" 1
278 1 19 GLN H 1 21 PHE H . . 4.550 3.867 3.811 3.963 . 0 0 "[ . 1 . 2]" 1
279 1 19 GLN H 1 21 PHE HB3 . . 5.270 4.618 4.528 4.701 . 0 0 "[ . 1 . 2]" 1
280 1 19 GLN H 1 53 LEU MD1 . . 4.050 3.233 2.758 3.470 . 0 0 "[ . 1 . 2]" 1
281 1 19 GLN H 1 53 LEU MD2 . . 3.970 2.908 2.533 3.284 . 0 0 "[ . 1 . 2]" 1
282 1 19 GLN HA 1 19 GLN HG2 . . 3.950 2.558 2.422 2.906 . 0 0 "[ . 1 . 2]" 1
283 1 19 GLN HA 1 19 GLN QG . . 3.230 2.482 2.371 2.820 . 0 0 "[ . 1 . 2]" 1
284 1 19 GLN HA 1 19 GLN HG3 . . 3.950 3.363 3.140 3.844 . 0 0 "[ . 1 . 2]" 1
285 1 19 GLN HA 1 21 PHE H . . 4.340 4.246 4.151 4.330 . 0 0 "[ . 1 . 2]" 1
286 1 19 GLN HA 1 21 PHE QD . . 5.500 5.420 5.212 5.506 0.006 7 0 "[ . 1 . 2]" 1
287 1 19 GLN HA 1 22 LEU H . . 3.990 3.845 3.691 3.967 . 0 0 "[ . 1 . 2]" 1
288 1 19 GLN HA 1 22 LEU HB2 . . 4.400 4.102 3.842 4.323 . 0 0 "[ . 1 . 2]" 1
289 1 19 GLN HA 1 22 LEU MD1 . . 3.530 2.424 2.337 2.574 . 0 0 "[ . 1 . 2]" 1
290 1 19 GLN HA 1 53 LEU MD1 . . 3.750 2.597 2.312 2.874 . 0 0 "[ . 1 . 2]" 1
291 1 19 GLN HA 1 53 LEU MD2 . . 3.980 3.819 3.582 3.988 0.008 9 0 "[ . 1 . 2]" 1
292 1 19 GLN HB2 1 20 GLU H . . 3.820 2.352 2.244 2.474 . 0 0 "[ . 1 . 2]" 1
293 1 19 GLN HB2 1 53 LEU MD1 . . 4.660 4.319 3.874 4.663 0.003 6 0 "[ . 1 . 2]" 1
294 1 19 GLN HB2 1 53 LEU MD2 . . 4.750 4.360 4.196 4.504 . 0 0 "[ . 1 . 2]" 1
295 1 19 GLN HB3 1 19 GLN QE . . 3.560 3.125 2.040 3.571 0.011 3 0 "[ . 1 . 2]" 1
296 1 19 GLN HB3 1 21 PHE H . . 5.500 5.373 5.288 5.462 . 0 0 "[ . 1 . 2]" 1
297 1 19 GLN QE 1 19 GLN QG . . 3.100 2.176 2.068 2.478 . 0 0 "[ . 1 . 2]" 1
298 1 19 GLN QG 1 20 GLU H . . 3.910 3.869 3.803 3.912 0.002 7 0 "[ . 1 . 2]" 1
299 1 19 GLN QG 1 21 PHE H . . 5.340 5.340 5.304 5.356 0.016 13 0 "[ . 1 . 2]" 1
300 1 19 GLN QG 1 53 LEU MD1 . . 3.340 2.105 1.947 2.454 . 0 0 "[ . 1 . 2]" 1
301 1 19 GLN QG 1 53 LEU MD2 . . 3.340 2.205 1.915 2.452 . 0 0 "[ . 1 . 2]" 1
302 1 19 GLN HG2 1 53 LEU HB3 . . 5.500 4.745 4.422 5.146 . 0 0 "[ . 1 . 2]" 1
303 1 19 GLN HG2 1 53 LEU MD1 . . 4.100 2.144 1.974 2.525 . 0 0 "[ . 1 . 2]" 1
304 1 19 GLN HG2 1 53 LEU MD2 . . 3.950 2.523 1.942 2.891 . 0 0 "[ . 1 . 2]" 1
305 1 19 GLN HG3 1 53 LEU HB3 . . 5.500 5.482 5.294 5.532 0.032 9 0 "[ . 1 . 2]" 1
306 1 19 GLN HG3 1 53 LEU MD1 . . 4.100 3.134 2.837 3.508 . 0 0 "[ . 1 . 2]" 1
307 1 19 GLN HG3 1 53 LEU MD2 . . 3.950 2.568 2.195 3.326 . 0 0 "[ . 1 . 2]" 1
308 1 20 GLU H 1 20 GLU HB2 . . 3.230 2.692 2.609 2.792 . 0 0 "[ . 1 . 2]" 1
309 1 20 GLU H 1 20 GLU HB3 . . 3.360 2.379 2.296 2.443 . 0 0 "[ . 1 . 2]" 1
310 1 20 GLU H 1 20 GLU HG2 . . 4.520 4.375 4.284 4.440 . 0 0 "[ . 1 . 2]" 1
311 1 20 GLU H 1 21 PHE H . . 3.320 2.577 2.472 2.667 . 0 0 "[ . 1 . 2]" 1
312 1 20 GLU H 1 21 PHE HB2 . . 5.400 5.228 5.100 5.369 . 0 0 "[ . 1 . 2]" 1
313 1 20 GLU H 1 21 PHE HB3 . . 4.830 4.555 4.426 4.627 . 0 0 "[ . 1 . 2]" 1
314 1 20 GLU H 1 22 LEU H . . 4.770 4.445 4.335 4.514 . 0 0 "[ . 1 . 2]" 1
315 1 20 GLU H 1 22 LEU MD1 . . 5.500 5.168 5.071 5.263 . 0 0 "[ . 1 . 2]" 1
316 1 20 GLU H 1 53 LEU MD1 . . 5.500 5.159 4.728 5.443 . 0 0 "[ . 1 . 2]" 1
317 1 20 GLU HA 1 20 GLU HG2 . . 3.740 3.517 3.441 3.600 . 0 0 "[ . 1 . 2]" 1
318 1 20 GLU HA 1 20 GLU HG3 . . 3.490 2.556 2.499 2.638 . 0 0 "[ . 1 . 2]" 1
319 1 20 GLU HA 1 22 LEU H . . 4.860 4.282 4.087 4.495 . 0 0 "[ . 1 . 2]" 1
320 1 20 GLU HA 1 23 THR H . . 4.300 3.298 3.093 3.440 . 0 0 "[ . 1 . 2]" 1
321 1 20 GLU HA 1 23 THR HB . . 3.390 2.362 2.296 2.440 . 0 0 "[ . 1 . 2]" 1
322 1 20 GLU HA 1 23 THR MG . . 3.770 3.766 3.738 3.785 0.015 9 0 "[ . 1 . 2]" 1
323 1 20 GLU HA 1 24 ALA H . . 4.330 4.150 3.981 4.286 . 0 0 "[ . 1 . 2]" 1
324 1 20 GLU HA 1 24 ALA MB . . 4.610 4.327 4.157 4.515 . 0 0 "[ . 1 . 2]" 1
325 1 20 GLU HB2 1 21 PHE H . . 4.370 4.110 4.042 4.173 . 0 0 "[ . 1 . 2]" 1
326 1 20 GLU HB2 1 23 THR HB . . 4.990 4.488 4.349 4.576 . 0 0 "[ . 1 . 2]" 1
327 1 20 GLU HB2 1 23 THR MG . . 5.310 5.213 5.087 5.294 . 0 0 "[ . 1 . 2]" 1
328 1 20 GLU HB2 1 24 ALA MB . . 5.500 5.330 5.104 5.482 . 0 0 "[ . 1 . 2]" 1
329 1 20 GLU HB3 1 21 PHE H . . 3.410 2.908 2.813 3.002 . 0 0 "[ . 1 . 2]" 1
330 1 20 GLU HB3 1 21 PHE HB2 . . 5.120 4.934 4.859 5.026 . 0 0 "[ . 1 . 2]" 1
331 1 20 GLU HB3 1 24 ALA MB . . 5.500 5.106 4.895 5.336 . 0 0 "[ . 1 . 2]" 1
332 1 20 GLU HG2 1 21 PHE H . . 4.780 3.865 3.753 4.043 . 0 0 "[ . 1 . 2]" 1
333 1 20 GLU HG2 1 21 PHE HA . . 4.420 3.753 3.644 3.890 . 0 0 "[ . 1 . 2]" 1
334 1 20 GLU HG2 1 23 THR HB . . 5.470 4.850 4.459 5.190 . 0 0 "[ . 1 . 2]" 1
335 1 20 GLU HG2 1 24 ALA MB . . 4.630 3.504 3.177 3.873 . 0 0 "[ . 1 . 2]" 1
336 1 20 GLU HG3 1 21 PHE H . . 4.680 4.471 4.332 4.598 . 0 0 "[ . 1 . 2]" 1
337 1 20 GLU HG3 1 21 PHE HA . . 4.820 4.646 4.382 4.805 . 0 0 "[ . 1 . 2]" 1
338 1 20 GLU HG3 1 23 THR HB . . 5.100 3.434 3.075 3.791 . 0 0 "[ . 1 . 2]" 1
339 1 20 GLU HG3 1 23 THR MG . . 4.750 4.377 4.070 4.620 . 0 0 "[ . 1 . 2]" 1
340 1 20 GLU HG3 1 24 ALA MB . . 5.110 3.180 2.985 3.315 . 0 0 "[ . 1 . 2]" 1
341 1 21 PHE H 1 21 PHE HB2 . . 3.210 2.818 2.777 2.889 . 0 0 "[ . 1 . 2]" 1
342 1 21 PHE H 1 21 PHE HB3 . . 3.210 2.275 2.221 2.311 . 0 0 "[ . 1 . 2]" 1
343 1 21 PHE H 1 21 PHE QD . . 4.370 4.079 4.015 4.116 . 0 0 "[ . 1 . 2]" 1
344 1 21 PHE H 1 22 LEU H . . 3.510 2.787 2.724 2.861 . 0 0 "[ . 1 . 2]" 1
345 1 21 PHE H 1 22 LEU HB2 . . 5.500 5.306 5.224 5.372 . 0 0 "[ . 1 . 2]" 1
346 1 21 PHE H 1 22 LEU MD1 . . 4.870 4.730 4.627 4.834 . 0 0 "[ . 1 . 2]" 1
347 1 21 PHE H 1 22 LEU HG . . 5.310 4.138 4.024 4.233 . 0 0 "[ . 1 . 2]" 1
348 1 21 PHE H 1 24 ALA MB . . 5.200 4.954 4.827 5.071 . 0 0 "[ . 1 . 2]" 1
349 1 21 PHE H 1 102 ILE MD . . 4.400 4.043 3.840 4.215 . 0 0 "[ . 1 . 2]" 1
350 1 21 PHE HA 1 21 PHE QD . . 3.720 2.781 2.705 2.869 . 0 0 "[ . 1 . 2]" 1
351 1 21 PHE HA 1 24 ALA MB . . 3.620 3.457 3.180 3.539 . 0 0 "[ . 1 . 2]" 1
352 1 21 PHE HA 1 25 TYR H . . 4.700 4.368 4.210 4.615 . 0 0 "[ . 1 . 2]" 1
353 1 21 PHE HA 1 25 TYR QD . . 4.050 4.041 3.918 4.069 0.019 15 0 "[ . 1 . 2]" 1
354 1 21 PHE HA 1 25 TYR QE . . 4.600 4.509 3.987 4.614 0.014 13 0 "[ . 1 . 2]" 1
355 1 21 PHE HA 1 102 ILE MD . . 4.300 3.978 3.817 4.158 . 0 0 "[ . 1 . 2]" 1
356 1 21 PHE HB2 1 22 LEU H . . 4.160 4.011 3.948 4.105 . 0 0 "[ . 1 . 2]" 1
357 1 21 PHE HB2 1 22 LEU HA . . 5.500 5.585 5.566 5.612 0.112 7 0 "[ . 1 . 2]" 1
358 1 21 PHE HB2 1 22 LEU HG . . 5.200 4.732 4.699 4.768 . 0 0 "[ . 1 . 2]" 1
359 1 21 PHE HB2 1 24 ALA MB . . 5.500 5.421 5.243 5.500 . 0 0 "[ . 1 . 2]" 1
360 1 21 PHE HB2 1 25 TYR QD . . 5.300 4.889 4.742 5.004 . 0 0 "[ . 1 . 2]" 1
361 1 21 PHE HB2 1 49 ALA MB . . 5.500 5.027 4.833 5.162 . 0 0 "[ . 1 . 2]" 1
362 1 21 PHE HB2 1 102 ILE MD . . 3.390 2.130 1.968 2.339 . 0 0 "[ . 1 . 2]" 1
363 1 21 PHE HB2 1 102 ILE HG12 . . 5.450 4.218 3.971 4.519 . 0 0 "[ . 1 . 2]" 1
364 1 21 PHE HB2 1 102 ILE QG . . 4.780 3.979 3.768 4.236 . 0 0 "[ . 1 . 2]" 1
365 1 21 PHE HB2 1 102 ILE HG13 . . 5.450 4.878 4.689 5.119 . 0 0 "[ . 1 . 2]" 1
366 1 21 PHE HB3 1 22 LEU H . . 3.660 2.686 2.589 2.841 . 0 0 "[ . 1 . 2]" 1
367 1 21 PHE HB3 1 22 LEU HA . . 4.870 4.676 4.636 4.772 . 0 0 "[ . 1 . 2]" 1
368 1 21 PHE HB3 1 22 LEU MD1 . . 4.950 4.288 4.246 4.340 . 0 0 "[ . 1 . 2]" 1
369 1 21 PHE HB3 1 22 LEU HG . . 4.660 3.102 3.057 3.185 . 0 0 "[ . 1 . 2]" 1
370 1 21 PHE HB3 1 49 ALA MB . . 4.910 4.118 3.935 4.285 . 0 0 "[ . 1 . 2]" 1
371 1 21 PHE HB3 1 53 LEU MD1 . . 5.500 5.147 4.955 5.489 . 0 0 "[ . 1 . 2]" 1
372 1 21 PHE HB3 1 102 ILE MD . . 4.620 2.978 2.826 3.182 . 0 0 "[ . 1 . 2]" 1
373 1 21 PHE QD 1 22 LEU H . . 3.860 3.060 2.868 3.263 . 0 0 "[ . 1 . 2]" 1
374 1 21 PHE QD 1 22 LEU HA . . 4.070 3.720 3.556 3.855 . 0 0 "[ . 1 . 2]" 1
375 1 21 PHE QD 1 22 LEU HB3 . . 4.990 4.511 4.386 4.641 . 0 0 "[ . 1 . 2]" 1
376 1 21 PHE QD 1 22 LEU MD1 . . 4.460 3.571 3.473 3.758 . 0 0 "[ . 1 . 2]" 1
377 1 21 PHE QD 1 22 LEU MD2 . . 3.590 2.010 1.970 2.100 . 0 0 "[ . 1 . 2]" 1
378 1 21 PHE QD 1 22 LEU HG . . 3.870 2.180 2.033 2.424 . 0 0 "[ . 1 . 2]" 1
379 1 21 PHE QD 1 23 THR H . . 5.470 5.305 5.185 5.400 . 0 0 "[ . 1 . 2]" 1
380 1 21 PHE QD 1 24 ALA MB . . 5.020 4.830 4.737 4.949 . 0 0 "[ . 1 . 2]" 1
381 1 21 PHE QD 1 25 TYR HB3 . . 5.500 5.372 5.152 5.483 . 0 0 "[ . 1 . 2]" 1
382 1 21 PHE QD 1 25 TYR QD . . 4.070 2.621 2.503 2.775 . 0 0 "[ . 1 . 2]" 1
383 1 21 PHE QD 1 25 TYR QE . . 3.750 3.157 2.354 3.453 . 0 0 "[ . 1 . 2]" 1
384 1 21 PHE QD 1 49 ALA MB . . 3.860 2.479 2.353 2.668 . 0 0 "[ . 1 . 2]" 1
385 1 21 PHE QD 1 98 LYS HB2 . . 4.310 3.568 3.309 3.835 . 0 0 "[ . 1 . 2]" 1
386 1 21 PHE QD 1 98 LYS HD2 . . 5.450 4.598 4.229 4.922 . 0 0 "[ . 1 . 2]" 1
387 1 21 PHE QD 1 98 LYS HD3 . . 4.850 3.189 2.730 3.570 . 0 0 "[ . 1 . 2]" 1
388 1 21 PHE QD 1 98 LYS QE . . 5.340 5.006 4.721 5.231 . 0 0 "[ . 1 . 2]" 1
389 1 21 PHE QD 1 98 LYS HG2 . . 5.170 4.942 4.623 5.177 0.007 7 0 "[ . 1 . 2]" 1
390 1 21 PHE QD 1 99 LEU HA . . 5.500 4.638 4.442 4.735 . 0 0 "[ . 1 . 2]" 1
391 1 21 PHE QD 1 99 LEU MD1 . . 4.480 3.740 3.517 3.954 . 0 0 "[ . 1 . 2]" 1
392 1 21 PHE QD 1 102 ILE MD . . 3.480 2.984 2.816 3.160 . 0 0 "[ . 1 . 2]" 1
393 1 21 PHE QE 1 22 LEU MD2 . . 4.650 2.115 1.956 2.358 . 0 0 "[ . 1 . 2]" 1
394 1 21 PHE QE 1 45 ILE MD . . 5.050 4.801 4.650 4.908 . 0 0 "[ . 1 . 2]" 1
395 1 21 PHE QE 1 45 ILE MG . . 3.570 3.019 2.927 3.130 . 0 0 "[ . 1 . 2]" 1
396 1 21 PHE QE 1 46 VAL HA . . 3.840 2.544 2.088 2.728 . 0 0 "[ . 1 . 2]" 1
397 1 21 PHE QE 1 46 VAL MG1 . . 4.220 4.076 3.492 4.226 0.006 2 0 "[ . 1 . 2]" 1
398 1 21 PHE QE 1 46 VAL MG2 . . 3.820 3.532 3.338 3.828 0.008 16 0 "[ . 1 . 2]" 1
399 1 21 PHE QE 1 49 ALA H . . 5.000 3.815 3.716 3.993 . 0 0 "[ . 1 . 2]" 1
400 1 21 PHE QE 1 49 ALA MB . . 3.300 1.909 1.822 2.002 . 0 0 "[ . 1 . 2]" 1
401 1 21 PHE QE 1 69 MET ME . . 5.500 5.488 5.421 5.525 0.025 6 0 "[ . 1 . 2]" 1
402 1 21 PHE QE 1 95 LEU H . . 5.080 4.654 4.526 4.811 . 0 0 "[ . 1 . 2]" 1
403 1 21 PHE QE 1 95 LEU HA . . 3.960 2.157 1.993 2.402 . 0 0 "[ . 1 . 2]" 1
404 1 21 PHE QE 1 95 LEU HB2 . . 4.680 4.017 3.877 4.088 . 0 0 "[ . 1 . 2]" 1
405 1 21 PHE QE 1 95 LEU MD1 . . 4.100 3.841 3.685 3.983 . 0 0 "[ . 1 . 2]" 1
406 1 21 PHE QE 1 95 LEU MD2 . . 3.900 2.661 2.347 2.868 . 0 0 "[ . 1 . 2]" 1
407 1 21 PHE QE 1 95 LEU HG . . 4.950 2.202 2.003 2.393 . 0 0 "[ . 1 . 2]" 1
408 1 21 PHE QE 1 96 VAL H . . 5.500 4.932 4.847 5.098 . 0 0 "[ . 1 . 2]" 1
409 1 21 PHE QE 1 98 LYS H . . 5.500 5.211 5.109 5.352 . 0 0 "[ . 1 . 2]" 1
410 1 21 PHE QE 1 98 LYS HB2 . . 4.390 3.399 3.314 3.521 . 0 0 "[ . 1 . 2]" 1
411 1 21 PHE QE 1 98 LYS HB3 . . 4.320 4.315 4.269 4.327 0.007 5 0 "[ . 1 . 2]" 1
412 1 21 PHE QE 1 98 LYS HD2 . . 5.500 4.521 4.200 4.827 . 0 0 "[ . 1 . 2]" 1
413 1 21 PHE QE 1 98 LYS HD3 . . 5.380 3.936 3.656 4.212 . 0 0 "[ . 1 . 2]" 1
414 1 21 PHE QE 1 99 LEU H . . 4.220 3.884 3.805 3.985 . 0 0 "[ . 1 . 2]" 1
415 1 21 PHE QE 1 99 LEU HA . . 5.500 4.602 4.412 4.763 . 0 0 "[ . 1 . 2]" 1
416 1 21 PHE QE 1 99 LEU HB2 . . 4.550 3.772 3.598 3.884 . 0 0 "[ . 1 . 2]" 1
417 1 21 PHE QE 1 99 LEU HB3 . . 5.470 5.191 5.006 5.309 . 0 0 "[ . 1 . 2]" 1
418 1 21 PHE QE 1 99 LEU MD1 . . 4.630 3.222 2.884 3.450 . 0 0 "[ . 1 . 2]" 1
419 1 21 PHE QE 1 99 LEU MD2 . . 4.030 3.786 3.515 4.017 . 0 0 "[ . 1 . 2]" 1
420 1 21 PHE HZ 1 45 ILE MG . . 3.390 2.016 1.941 2.244 . 0 0 "[ . 1 . 2]" 1
421 1 21 PHE HZ 1 49 ALA MB . . 4.680 3.601 3.419 3.785 . 0 0 "[ . 1 . 2]" 1
422 1 21 PHE HZ 1 95 LEU HA . . 4.620 4.061 3.887 4.245 . 0 0 "[ . 1 . 2]" 1
423 1 21 PHE HZ 1 95 LEU HB2 . . 4.620 4.530 4.373 4.617 . 0 0 "[ . 1 . 2]" 1
424 1 21 PHE HZ 1 95 LEU HB3 . . 4.750 2.833 2.686 2.946 . 0 0 "[ . 1 . 2]" 1
425 1 21 PHE HZ 1 95 LEU MD2 . . 4.290 2.383 2.077 2.639 . 0 0 "[ . 1 . 2]" 1
426 1 21 PHE HZ 1 95 LEU HG . . 4.570 3.712 3.502 3.986 . 0 0 "[ . 1 . 2]" 1
427 1 21 PHE HZ 1 99 LEU H . . 5.170 4.900 4.699 5.141 . 0 0 "[ . 1 . 2]" 1
428 1 21 PHE HZ 1 99 LEU HB2 . . 4.690 3.622 3.369 3.886 . 0 0 "[ . 1 . 2]" 1
429 1 21 PHE HZ 1 99 LEU HB3 . . 5.490 5.269 5.009 5.495 0.005 7 0 "[ . 1 . 2]" 1
430 1 21 PHE HZ 1 99 LEU MD1 . . 4.510 3.782 3.599 4.020 . 0 0 "[ . 1 . 2]" 1
431 1 21 PHE HZ 1 99 LEU MD2 . . 4.460 3.650 3.371 3.980 . 0 0 "[ . 1 . 2]" 1
432 1 22 LEU H 1 22 LEU HB2 . . 3.540 2.735 2.717 2.758 . 0 0 "[ . 1 . 2]" 1
433 1 22 LEU H 1 22 LEU HB3 . . 3.780 3.596 3.587 3.608 . 0 0 "[ . 1 . 2]" 1
434 1 22 LEU H 1 22 LEU MD1 . . 3.800 3.116 3.101 3.160 . 0 0 "[ . 1 . 2]" 1
435 1 22 LEU H 1 22 LEU MD2 . . 3.960 3.419 3.386 3.468 . 0 0 "[ . 1 . 2]" 1
436 1 22 LEU H 1 22 LEU HG . . 3.090 1.906 1.892 1.957 . 0 0 "[ . 1 . 2]" 1
437 1 22 LEU H 1 23 THR H . . 3.580 2.507 2.414 2.559 . 0 0 "[ . 1 . 2]" 1
438 1 22 LEU H 1 23 THR HA . . 5.150 5.126 5.055 5.175 0.025 18 0 "[ . 1 . 2]" 1
439 1 22 LEU H 1 23 THR HB . . 5.050 4.775 4.663 4.864 . 0 0 "[ . 1 . 2]" 1
440 1 22 LEU H 1 24 ALA H . . 4.850 3.880 3.837 3.911 . 0 0 "[ . 1 . 2]" 1
441 1 22 LEU H 1 102 ILE MD . . 5.490 5.251 5.066 5.421 . 0 0 "[ . 1 . 2]" 1
442 1 22 LEU HA 1 22 LEU MD2 . . 3.020 2.611 2.493 2.742 . 0 0 "[ . 1 . 2]" 1
443 1 22 LEU HA 1 22 LEU HG . . 4.040 3.094 3.068 3.119 . 0 0 "[ . 1 . 2]" 1
444 1 22 LEU HA 1 25 TYR H . . 4.610 2.971 2.884 3.112 . 0 0 "[ . 1 . 2]" 1
445 1 22 LEU HA 1 25 TYR QD . . 5.500 4.719 4.329 4.912 . 0 0 "[ . 1 . 2]" 1
446 1 22 LEU HA 1 26 ALA H . . 5.470 5.074 4.629 5.287 . 0 0 "[ . 1 . 2]" 1
447 1 22 LEU HA 1 26 ALA HA . . 5.090 4.359 4.064 4.578 . 0 0 "[ . 1 . 2]" 1
448 1 22 LEU HA 1 26 ALA MB . . 4.160 4.090 3.735 4.184 0.024 7 0 "[ . 1 . 2]" 1
449 1 22 LEU HB2 1 22 LEU MD1 . . 3.350 2.149 2.083 2.201 . 0 0 "[ . 1 . 2]" 1
450 1 22 LEU HB2 1 23 THR H . . 3.750 2.510 2.421 2.720 . 0 0 "[ . 1 . 2]" 1
451 1 22 LEU HB2 1 23 THR HA . . 4.150 3.945 3.915 3.985 . 0 0 "[ . 1 . 2]" 1
452 1 22 LEU HB3 1 23 THR H . . 4.400 3.821 3.760 3.978 . 0 0 "[ . 1 . 2]" 1
453 1 22 LEU HB3 1 24 ALA H . . 5.380 5.235 5.151 5.325 . 0 0 "[ . 1 . 2]" 1
454 1 22 LEU HB3 1 26 ALA MB . . 4.440 3.843 3.560 4.002 . 0 0 "[ . 1 . 2]" 1
455 1 22 LEU HB3 1 46 VAL MG1 . . 3.870 3.003 2.697 3.327 . 0 0 "[ . 1 . 2]" 1
456 1 22 LEU MD1 1 23 THR H . . 4.590 3.899 3.813 4.007 . 0 0 "[ . 1 . 2]" 1
457 1 22 LEU MD1 1 49 ALA MB . . 3.750 3.147 2.931 3.436 . 0 0 "[ . 1 . 2]" 1
458 1 22 LEU MD1 1 50 ARG H . . 4.520 3.663 3.401 4.148 . 0 0 "[ . 1 . 2]" 1
459 1 22 LEU MD1 1 50 ARG HA . . 3.320 2.779 2.590 3.052 . 0 0 "[ . 1 . 2]" 1
460 1 22 LEU MD1 1 50 ARG QD . . 4.040 3.131 1.775 4.046 0.006 12 0 "[ . 1 . 2]" 1
461 1 22 LEU MD1 1 50 ARG QG . . 3.740 2.522 2.081 3.200 . 0 0 "[ . 1 . 2]" 1
462 1 22 LEU MD2 1 23 THR H . . 4.820 4.730 4.705 4.787 . 0 0 "[ . 1 . 2]" 1
463 1 22 LEU MD2 1 25 TYR H . . 5.500 5.144 5.020 5.272 . 0 0 "[ . 1 . 2]" 1
464 1 22 LEU MD2 1 26 ALA HA . . 5.220 4.809 4.691 4.924 . 0 0 "[ . 1 . 2]" 1
465 1 22 LEU MD2 1 46 VAL HA . . 3.660 2.663 2.453 3.004 . 0 0 "[ . 1 . 2]" 1
466 1 22 LEU MD2 1 47 GLU HA . . 4.540 4.429 4.295 4.550 0.010 7 0 "[ . 1 . 2]" 1
467 1 22 LEU MD2 1 49 ALA H . . 4.340 3.932 3.786 4.207 . 0 0 "[ . 1 . 2]" 1
468 1 22 LEU MD2 1 49 ALA HA . . 4.850 4.302 4.154 4.620 . 0 0 "[ . 1 . 2]" 1
469 1 22 LEU MD2 1 49 ALA MB . . 2.860 1.881 1.776 2.188 . 0 0 "[ . 1 . 2]" 1
470 1 22 LEU MD2 1 50 ARG H . . 3.800 2.860 2.661 3.060 . 0 0 "[ . 1 . 2]" 1
471 1 22 LEU MD2 1 50 ARG HA . . 3.860 3.557 3.266 3.739 . 0 0 "[ . 1 . 2]" 1
472 1 22 LEU MD2 1 50 ARG HB3 . . 4.780 4.656 4.452 4.789 0.009 13 0 "[ . 1 . 2]" 1
473 1 22 LEU MD2 1 50 ARG QD . . 4.380 3.309 2.226 4.244 . 0 0 "[ . 1 . 2]" 1
474 1 22 LEU MD2 1 50 ARG HG2 . . 3.820 2.657 1.990 3.275 . 0 0 "[ . 1 . 2]" 1
475 1 22 LEU MD2 1 50 ARG QG . . 3.230 2.235 1.975 2.464 . 0 0 "[ . 1 . 2]" 1
476 1 22 LEU MD2 1 50 ARG HG3 . . 3.820 2.839 2.097 3.678 . 0 0 "[ . 1 . 2]" 1
477 1 22 LEU MD2 1 99 LEU MD2 . . 5.500 5.004 4.697 5.437 . 0 0 "[ . 1 . 2]" 1
478 1 22 LEU HG 1 23 THR H . . 4.750 3.898 3.866 3.952 . 0 0 "[ . 1 . 2]" 1
479 1 22 LEU HG 1 24 ALA H . . 5.500 5.515 5.495 5.531 0.031 7 0 "[ . 1 . 2]" 1
480 1 22 LEU HG 1 49 ALA MB . . 3.710 3.361 3.132 3.575 . 0 0 "[ . 1 . 2]" 1
481 1 23 THR H 1 23 THR HB . . 3.140 2.669 2.552 2.752 . 0 0 "[ . 1 . 2]" 1
482 1 23 THR H 1 23 THR MG . . 3.850 3.759 3.746 3.766 . 0 0 "[ . 1 . 2]" 1
483 1 23 THR H 1 24 ALA H . . 3.290 2.734 2.635 2.783 . 0 0 "[ . 1 . 2]" 1
484 1 23 THR H 1 24 ALA MB . . 4.500 4.405 4.323 4.494 . 0 0 "[ . 1 . 2]" 1
485 1 23 THR H 1 25 TYR H . . 4.440 4.114 3.975 4.265 . 0 0 "[ . 1 . 2]" 1
486 1 23 THR HA 1 23 THR MG . . 2.900 2.378 2.346 2.420 . 0 0 "[ . 1 . 2]" 1
487 1 23 THR HA 1 24 ALA MB . . 5.170 4.918 4.903 4.937 . 0 0 "[ . 1 . 2]" 1
488 1 23 THR HB 1 24 ALA H . . 3.300 3.026 2.975 3.090 . 0 0 "[ . 1 . 2]" 1
489 1 23 THR HB 1 24 ALA MB . . 4.430 3.757 3.672 3.907 . 0 0 "[ . 1 . 2]" 1
490 1 23 THR MG 1 24 ALA H . . 3.880 3.842 3.764 3.891 0.011 4 0 "[ . 1 . 2]" 1
491 1 23 THR MG 1 24 ALA HA . . 4.100 3.778 3.649 3.885 . 0 0 "[ . 1 . 2]" 1
492 1 23 THR MG 1 24 ALA MB . . 4.280 4.099 3.942 4.251 . 0 0 "[ . 1 . 2]" 1
493 1 24 ALA H 1 24 ALA MB . . 2.940 2.271 2.202 2.353 . 0 0 "[ . 1 . 2]" 1
494 1 24 ALA H 1 25 TYR HB2 . . 5.020 4.575 4.438 4.724 . 0 0 "[ . 1 . 2]" 1
495 1 24 ALA H 1 25 TYR QD . . 5.190 4.917 4.781 5.043 . 0 0 "[ . 1 . 2]" 1
496 1 24 ALA HA 1 25 TYR HA . . 4.930 4.538 4.503 4.556 . 0 0 "[ . 1 . 2]" 1
497 1 24 ALA HA 1 25 TYR QD . . 5.500 4.642 4.421 4.767 . 0 0 "[ . 1 . 2]" 1
498 1 24 ALA HA 1 25 TYR QE . . 5.500 5.453 5.318 5.523 0.023 13 0 "[ . 1 . 2]" 1
499 1 24 ALA MB 1 25 TYR H . . 3.370 2.810 2.623 3.051 . 0 0 "[ . 1 . 2]" 1
500 1 24 ALA MB 1 25 TYR HA . . 4.550 4.021 3.951 4.138 . 0 0 "[ . 1 . 2]" 1
501 1 24 ALA MB 1 25 TYR HB2 . . 4.750 4.203 4.095 4.386 . 0 0 "[ . 1 . 2]" 1
502 1 24 ALA MB 1 25 TYR HB3 . . 5.110 4.934 4.859 5.049 . 0 0 "[ . 1 . 2]" 1
503 1 24 ALA MB 1 25 TYR QD . . 3.720 3.317 3.017 3.498 . 0 0 "[ . 1 . 2]" 1
504 1 24 ALA MB 1 25 TYR QE . . 3.740 3.438 3.033 3.603 . 0 0 "[ . 1 . 2]" 1
505 1 24 ALA MB 1 26 ALA H . . 5.470 5.096 4.611 5.494 0.024 7 0 "[ . 1 . 2]" 1
506 1 24 ALA MB 1 95 LEU MD1 . . 5.460 5.422 5.196 5.469 0.009 16 0 "[ . 1 . 2]" 1
507 1 25 TYR H 1 25 TYR HB2 . . 3.500 2.647 2.603 2.723 . 0 0 "[ . 1 . 2]" 1
508 1 25 TYR H 1 25 TYR HB3 . . 3.970 3.769 3.742 3.828 . 0 0 "[ . 1 . 2]" 1
509 1 25 TYR H 1 25 TYR QD . . 3.780 3.551 3.370 3.759 . 0 0 "[ . 1 . 2]" 1
510 1 25 TYR H 1 25 TYR QE . . 5.300 5.039 4.768 5.301 0.001 14 0 "[ . 1 . 2]" 1
511 1 25 TYR H 1 26 ALA H . . 4.230 3.628 3.060 4.000 . 0 0 "[ . 1 . 2]" 1
512 1 25 TYR H 1 26 ALA MB . . 4.310 4.124 3.912 4.261 . 0 0 "[ . 1 . 2]" 1
513 1 25 TYR H 1 46 VAL MG2 . . 5.500 4.829 4.643 5.106 . 0 0 "[ . 1 . 2]" 1
514 1 25 TYR H 1 95 LEU MD2 . . 4.860 4.699 4.499 4.850 . 0 0 "[ . 1 . 2]" 1
515 1 25 TYR HA 1 25 TYR QD . . 3.430 2.024 1.974 2.142 . 0 0 "[ . 1 . 2]" 1
516 1 25 TYR HA 1 25 TYR QE . . 4.550 4.363 4.321 4.478 . 0 0 "[ . 1 . 2]" 1
517 1 25 TYR HA 1 26 ALA MB . . 5.080 4.285 4.056 4.490 . 0 0 "[ . 1 . 2]" 1
518 1 25 TYR HA 1 31 LEU MD1 . . 4.840 4.262 3.310 4.838 . 0 0 "[ . 1 . 2]" 1
519 1 25 TYR HA 1 31 LEU QD . . 3.860 2.942 1.992 3.656 . 0 0 "[ . 1 . 2]" 1
520 1 25 TYR HA 1 31 LEU MD2 . . 4.840 3.009 1.995 3.794 . 0 0 "[ . 1 . 2]" 1
521 1 25 TYR HA 1 95 LEU MD1 . . 4.990 4.403 4.226 4.528 . 0 0 "[ . 1 . 2]" 1
522 1 25 TYR HB2 1 46 VAL MG2 . . 5.280 3.355 3.056 3.559 . 0 0 "[ . 1 . 2]" 1
523 1 25 TYR HB2 1 95 LEU MD1 . . 4.190 3.890 3.504 4.052 . 0 0 "[ . 1 . 2]" 1
524 1 25 TYR HB2 1 95 LEU MD2 . . 4.130 2.387 2.140 2.561 . 0 0 "[ . 1 . 2]" 1
525 1 25 TYR HB2 1 95 LEU HG . . 5.500 3.476 3.137 3.745 . 0 0 "[ . 1 . 2]" 1
526 1 25 TYR HB3 1 31 LEU QD . . 5.440 4.140 2.859 4.804 . 0 0 "[ . 1 . 2]" 1
527 1 25 TYR HB3 1 46 VAL MG2 . . 4.500 3.341 2.988 3.598 . 0 0 "[ . 1 . 2]" 1
528 1 25 TYR HB3 1 91 PHE HZ . . 5.130 4.036 3.561 4.832 . 0 0 "[ . 1 . 2]" 1
529 1 25 TYR HB3 1 95 LEU MD1 . . 3.930 2.883 2.577 3.079 . 0 0 "[ . 1 . 2]" 1
530 1 25 TYR HB3 1 95 LEU MD2 . . 4.030 1.993 1.931 2.104 . 0 0 "[ . 1 . 2]" 1
531 1 25 TYR HB3 1 95 LEU HG . . 5.500 3.335 3.000 3.520 . 0 0 "[ . 1 . 2]" 1
532 1 25 TYR QD 1 31 LEU MD1 . . 4.710 4.165 3.614 4.592 . 0 0 "[ . 1 . 2]" 1
533 1 25 TYR QD 1 31 LEU QD . . 4.070 3.336 2.465 3.591 . 0 0 "[ . 1 . 2]" 1
534 1 25 TYR QD 1 31 LEU MD2 . . 4.710 3.552 2.485 3.879 . 0 0 "[ . 1 . 2]" 1
535 1 25 TYR QD 1 91 PHE QE . . 4.240 3.185 2.398 3.841 . 0 0 "[ . 1 . 2]" 1
536 1 25 TYR QD 1 91 PHE HZ . . 4.310 2.750 2.323 3.335 . 0 0 "[ . 1 . 2]" 1
537 1 25 TYR QD 1 95 LEU HA . . 4.940 3.480 3.263 3.639 . 0 0 "[ . 1 . 2]" 1
538 1 25 TYR QD 1 95 LEU HB3 . . 4.740 4.265 4.072 4.493 . 0 0 "[ . 1 . 2]" 1
539 1 25 TYR QD 1 95 LEU MD1 . . 4.010 3.060 2.847 3.266 . 0 0 "[ . 1 . 2]" 1
540 1 25 TYR QD 1 95 LEU MD2 . . 4.310 2.617 2.226 3.088 . 0 0 "[ . 1 . 2]" 1
541 1 25 TYR QD 1 95 LEU HG . . 4.920 2.014 1.984 2.185 . 0 0 "[ . 1 . 2]" 1
542 1 25 TYR QE 1 31 LEU MD1 . . 5.500 5.141 4.922 5.510 0.010 14 0 "[ . 1 . 2]" 1
543 1 25 TYR QE 1 31 LEU MD2 . . 5.500 5.060 4.113 5.508 0.008 9 0 "[ . 1 . 2]" 1
544 1 25 TYR QE 1 91 PHE QE . . 3.730 2.803 1.998 3.605 . 0 0 "[ . 1 . 2]" 1
545 1 25 TYR QE 1 91 PHE HZ . . 4.950 4.042 3.555 4.879 . 0 0 "[ . 1 . 2]" 1
546 1 25 TYR QE 1 95 LEU H . . 5.500 4.677 4.538 5.071 . 0 0 "[ . 1 . 2]" 1
547 1 25 TYR QE 1 95 LEU HA . . 4.880 3.434 3.314 3.681 . 0 0 "[ . 1 . 2]" 1
548 1 25 TYR QE 1 95 LEU MD1 . . 4.110 3.363 3.195 3.710 . 0 0 "[ . 1 . 2]" 1
549 1 25 TYR QE 1 95 LEU MD2 . . 4.720 4.296 4.057 4.714 . 0 0 "[ . 1 . 2]" 1
550 1 25 TYR QE 1 95 LEU HG . . 5.250 3.119 2.922 3.540 . 0 0 "[ . 1 . 2]" 1
551 1 25 TYR QE 1 98 LYS H . . 5.500 5.530 5.505 5.567 0.067 2 0 "[ . 1 . 2]" 1
552 1 25 TYR QE 1 98 LYS HD2 . . 4.170 2.689 2.167 3.108 . 0 0 "[ . 1 . 2]" 1
553 1 25 TYR QE 1 98 LYS HD3 . . 4.110 1.992 1.972 2.015 . 0 0 "[ . 1 . 2]" 1
554 1 25 TYR QE 1 98 LYS QE . . 4.180 2.899 2.288 3.321 . 0 0 "[ . 1 . 2]" 1
555 1 26 ALA H 1 26 ALA MB . . 3.170 2.432 2.192 2.696 . 0 0 "[ . 1 . 2]" 1
556 1 26 ALA H 1 27 PRO HD2 . . 5.090 4.772 4.706 4.814 . 0 0 "[ . 1 . 2]" 1
557 1 26 ALA H 1 27 PRO HD3 . . 5.090 4.570 4.398 4.697 . 0 0 "[ . 1 . 2]" 1
558 1 26 ALA H 1 29 ALA MB . . 4.690 3.954 3.372 4.669 . 0 0 "[ . 1 . 2]" 1
559 1 26 ALA H 1 46 VAL MG1 . . 5.500 5.268 4.931 5.474 . 0 0 "[ . 1 . 2]" 1
560 1 26 ALA HA 1 27 PRO QD . . 3.210 1.897 1.861 1.971 . 0 0 "[ . 1 . 2]" 1
561 1 26 ALA HA 1 27 PRO HG3 . . 4.930 4.323 4.317 4.358 . 0 0 "[ . 1 . 2]" 1
562 1 26 ALA HA 1 29 ALA MB . . 4.420 4.034 3.696 4.431 0.011 17 0 "[ . 1 . 2]" 1
563 1 26 ALA HA 1 46 VAL MG1 . . 3.460 2.849 2.544 3.015 . 0 0 "[ . 1 . 2]" 1
564 1 26 ALA HA 1 46 VAL MG2 . . 3.530 2.838 2.125 3.374 . 0 0 "[ . 1 . 2]" 1
565 1 26 ALA MB 1 27 PRO HA . . 5.170 4.543 4.498 4.570 . 0 0 "[ . 1 . 2]" 1
566 1 26 ALA MB 1 27 PRO HD2 . . 3.980 2.854 2.414 3.127 . 0 0 "[ . 1 . 2]" 1
567 1 26 ALA MB 1 27 PRO QD . . 3.170 2.776 2.377 3.014 . 0 0 "[ . 1 . 2]" 1
568 1 26 ALA MB 1 27 PRO HD3 . . 3.980 3.808 3.557 3.947 . 0 0 "[ . 1 . 2]" 1
569 1 26 ALA MB 1 28 GLY H . . 5.440 4.823 3.710 5.459 0.019 17 0 "[ . 1 . 2]" 1
570 1 26 ALA MB 1 46 VAL MG1 . . 3.730 3.636 3.078 3.744 0.014 9 0 "[ . 1 . 2]" 1
571 1 27 PRO HA 1 31 LEU HG . . 4.570 3.999 3.204 4.598 0.028 9 0 "[ . 1 . 2]" 1
572 1 27 PRO HA 1 42 HIS HE1 . . 3.570 2.343 2.028 2.791 . 0 0 "[ . 1 . 2]" 1
573 1 27 PRO HA 1 46 VAL MG1 . . 5.500 5.498 5.449 5.514 0.014 2 0 "[ . 1 . 2]" 1
574 1 27 PRO HB2 1 28 GLY QA . . 5.340 4.022 3.723 4.202 . 0 0 "[ . 1 . 2]" 1
575 1 27 PRO HB2 1 42 HIS HE1 . . 4.740 4.545 4.149 4.772 0.032 17 0 "[ . 1 . 2]" 1
576 1 27 PRO HB2 1 43 HIS HA . . 4.650 4.136 3.493 4.537 . 0 0 "[ . 1 . 2]" 1
577 1 27 PRO HB2 1 43 HIS HE1 . . 5.200 4.695 4.009 5.199 . 0 0 "[ . 1 . 2]" 1
578 1 27 PRO HB3 1 31 LEU QD . . 5.440 4.833 3.784 5.448 0.008 19 0 "[ . 1 . 2]" 1
579 1 27 PRO HB3 1 32 ALA MB . . 5.500 5.102 3.975 5.482 . 0 0 "[ . 1 . 2]" 1
580 1 27 PRO HB3 1 42 HIS HE1 . . 4.480 3.267 2.741 3.780 . 0 0 "[ . 1 . 2]" 1
581 1 27 PRO HB3 1 46 VAL MG1 . . 4.920 4.732 4.646 4.892 . 0 0 "[ . 1 . 2]" 1
582 1 27 PRO QD 1 43 HIS HA . . 4.950 3.857 3.458 4.321 . 0 0 "[ . 1 . 2]" 1
583 1 27 PRO QD 1 46 VAL MG2 . . 3.270 1.997 1.889 2.111 . 0 0 "[ . 1 . 2]" 1
584 1 27 PRO HD2 1 46 VAL MG1 . . 3.660 2.160 1.981 2.291 . 0 0 "[ . 1 . 2]" 1
585 1 27 PRO HD2 1 46 VAL MG2 . . 3.780 3.108 2.816 3.278 . 0 0 "[ . 1 . 2]" 1
586 1 27 PRO HD3 1 46 VAL MG1 . . 3.660 2.431 2.349 2.576 . 0 0 "[ . 1 . 2]" 1
587 1 27 PRO HD3 1 46 VAL MG2 . . 3.780 2.023 1.907 2.139 . 0 0 "[ . 1 . 2]" 1
588 1 27 PRO HG3 1 43 HIS H . . 4.770 4.642 4.321 4.771 0.001 8 0 "[ . 1 . 2]" 1
589 1 27 PRO HG3 1 43 HIS HE1 . . 5.160 4.349 3.871 5.008 . 0 0 "[ . 1 . 2]" 1
590 1 27 PRO HG3 1 46 VAL MG1 . . 4.240 3.091 2.932 3.387 . 0 0 "[ . 1 . 2]" 1
591 1 28 GLY QA 1 32 ALA MB . . 4.840 2.839 2.436 3.481 . 0 0 "[ . 1 . 2]" 1
592 1 29 ALA HA 1 30 ARG HG3 . . 4.970 4.625 4.285 5.019 0.049 19 0 "[ . 1 . 2]" 1
593 1 29 ALA MB 1 30 ARG H . . 4.160 2.264 1.913 2.902 . 0 0 "[ . 1 . 2]" 1
594 1 29 ALA MB 1 30 ARG HA . . 4.790 4.036 3.867 4.126 . 0 0 "[ . 1 . 2]" 1
595 1 29 ALA MB 1 30 ARG QB . . 4.120 3.727 3.571 4.010 . 0 0 "[ . 1 . 2]" 1
596 1 29 ALA MB 1 30 ARG QD . . 4.520 3.522 1.937 4.108 . 0 0 "[ . 1 . 2]" 1
597 1 30 ARG H 1 30 ARG HG3 . . 4.200 2.277 1.880 3.293 . 0 0 "[ . 1 . 2]" 1
598 1 30 ARG H 1 31 LEU H . . 3.860 2.112 1.769 3.020 . 0 0 "[ . 1 . 2]" 1
599 1 30 ARG HA 1 30 ARG QD . . 4.150 3.910 3.601 4.221 0.071 14 0 "[ . 1 . 2]" 1
600 1 30 ARG HA 1 30 ARG HG3 . . 3.580 3.246 2.383 3.548 . 0 0 "[ . 1 . 2]" 1
601 1 30 ARG QB 1 30 ARG QD . . 3.120 2.298 1.996 2.655 . 0 0 "[ . 1 . 2]" 1
602 1 30 ARG QB 1 30 ARG HG3 . . 2.550 2.464 2.436 2.498 . 0 0 "[ . 1 . 2]" 1
603 1 30 ARG QB 1 31 LEU H . . 3.740 2.967 1.885 3.744 0.004 3 0 "[ . 1 . 2]" 1
604 1 30 ARG QB 1 31 LEU HB3 . . 5.300 3.793 3.289 4.812 . 0 0 "[ . 1 . 2]" 1
605 1 30 ARG HB2 1 31 LEU H . . 4.480 3.123 1.897 4.026 . 0 0 "[ . 1 . 2]" 1
606 1 30 ARG HB3 1 31 LEU H . . 4.480 3.860 2.862 4.452 . 0 0 "[ . 1 . 2]" 1
607 1 30 ARG QD 1 30 ARG HG3 . . 2.610 2.233 2.151 2.477 . 0 0 "[ . 1 . 2]" 1
608 1 30 ARG QD 1 31 LEU H . . 4.780 2.762 2.052 3.892 . 0 0 "[ . 1 . 2]" 1
609 1 30 ARG QD 1 42 HIS HE1 . . 5.340 5.232 4.912 5.404 0.064 17 0 "[ . 1 . 2]" 1
610 1 30 ARG QD 1 91 PHE HZ . . 5.340 4.985 4.422 5.395 0.055 17 0 "[ . 1 . 2]" 1
611 1 30 ARG HG3 1 31 LEU H . . 4.720 3.349 2.435 4.572 . 0 0 "[ . 1 . 2]" 1
612 1 31 LEU H 1 31 LEU HB2 . . 4.070 3.779 3.149 3.960 . 0 0 "[ . 1 . 2]" 1
613 1 31 LEU H 1 31 LEU HB3 . . 3.140 2.869 2.230 3.102 . 0 0 "[ . 1 . 2]" 1
614 1 31 LEU H 1 31 LEU MD1 . . 4.660 4.176 3.537 4.679 0.019 9 0 "[ . 1 . 2]" 1
615 1 31 LEU H 1 31 LEU QD . . 4.010 2.197 1.749 3.778 . 0 0 "[ . 1 . 2]" 1
616 1 31 LEU H 1 31 LEU MD2 . . 4.660 2.254 1.751 4.143 . 0 0 "[ . 1 . 2]" 1
617 1 31 LEU H 1 32 ALA H . . 4.540 4.429 4.387 4.509 . 0 0 "[ . 1 . 2]" 1
618 1 31 LEU HA 1 31 LEU MD1 . . 4.160 3.884 2.411 4.110 . 0 0 "[ . 1 . 2]" 1
619 1 31 LEU HA 1 31 LEU QD . . 3.630 3.307 2.393 3.401 . 0 0 "[ . 1 . 2]" 1
620 1 31 LEU HA 1 31 LEU MD2 . . 4.160 3.674 3.455 4.099 . 0 0 "[ . 1 . 2]" 1
621 1 31 LEU HA 1 31 LEU HG . . 4.030 3.591 2.942 3.757 . 0 0 "[ . 1 . 2]" 1
622 1 31 LEU HA 1 32 ALA H . . 2.920 2.522 2.173 2.657 . 0 0 "[ . 1 . 2]" 1
623 1 31 LEU HA 1 32 ALA MB . . 4.160 3.714 3.660 3.872 . 0 0 "[ . 1 . 2]" 1
624 1 31 LEU HB2 1 32 ALA H . . 4.630 2.446 1.987 3.875 . 0 0 "[ . 1 . 2]" 1
625 1 31 LEU HB3 1 31 LEU QD . . 3.110 2.072 1.976 2.251 . 0 0 "[ . 1 . 2]" 1
626 1 31 LEU QD 1 32 ALA H . . 3.840 3.082 1.998 3.824 . 0 0 "[ . 1 . 2]" 1
627 1 31 LEU QD 1 32 ALA HA . . 4.840 3.609 2.377 4.094 . 0 0 "[ . 1 . 2]" 1
628 1 31 LEU QD 1 32 ALA MB . . 4.540 4.195 3.560 4.509 . 0 0 "[ . 1 . 2]" 1
629 1 31 LEU QD 1 42 HIS HE1 . . 3.830 2.445 1.799 3.055 . 0 0 "[ . 1 . 2]" 1
630 1 31 LEU QD 1 91 PHE QD . . 5.050 3.433 2.962 3.912 . 0 0 "[ . 1 . 2]" 1
631 1 31 LEU QD 1 91 PHE QE . . 3.950 2.154 1.780 2.650 . 0 0 "[ . 1 . 2]" 1
632 1 31 LEU QD 1 95 LEU MD1 . . 5.190 4.260 3.250 4.599 . 0 0 "[ . 1 . 2]" 1
633 1 31 LEU QD 1 95 LEU MD2 . . 5.440 4.616 3.398 5.124 . 0 0 "[ . 1 . 2]" 1
634 1 31 LEU MD1 1 32 ALA H . . 4.570 3.232 2.000 4.332 . 0 0 "[ . 1 . 2]" 1
635 1 31 LEU MD1 1 32 ALA HA . . 5.500 4.066 2.382 5.019 . 0 0 "[ . 1 . 2]" 1
636 1 31 LEU MD1 1 42 HIS HE1 . . 4.530 3.677 2.654 4.534 0.004 8 0 "[ . 1 . 2]" 1
637 1 31 LEU MD1 1 91 PHE QE . . 4.630 2.246 1.858 2.783 . 0 0 "[ . 1 . 2]" 1
638 1 31 LEU MD1 1 91 PHE HZ . . 4.600 2.135 1.879 2.616 . 0 0 "[ . 1 . 2]" 1
639 1 31 LEU MD2 1 32 ALA H . . 4.570 4.159 3.509 4.486 . 0 0 "[ . 1 . 2]" 1
640 1 31 LEU MD2 1 32 ALA HA . . 5.500 4.355 3.013 5.252 . 0 0 "[ . 1 . 2]" 1
641 1 31 LEU MD2 1 42 HIS HE1 . . 4.530 2.625 1.801 4.462 . 0 0 "[ . 1 . 2]" 1
642 1 31 LEU MD2 1 91 PHE QE . . 4.630 3.189 2.060 3.759 . 0 0 "[ . 1 . 2]" 1
643 1 31 LEU MD2 1 91 PHE HZ . . 4.600 2.488 1.806 3.268 . 0 0 "[ . 1 . 2]" 1
644 1 31 LEU HG 1 32 ALA H . . 3.910 2.993 2.161 3.925 0.015 14 0 "[ . 1 . 2]" 1
645 1 31 LEU HG 1 42 HIS HE1 . . 3.940 3.365 1.986 3.951 0.011 9 0 "[ . 1 . 2]" 1
646 1 31 LEU HG 1 91 PHE QE . . 5.340 3.836 3.227 4.480 . 0 0 "[ . 1 . 2]" 1
647 1 32 ALA H 1 32 ALA MB . . 3.100 2.796 2.473 2.867 . 0 0 "[ . 1 . 2]" 1
648 1 32 ALA H 1 33 LEU H . . 4.800 4.143 3.711 4.373 . 0 0 "[ . 1 . 2]" 1
649 1 32 ALA H 1 33 LEU HA . . 5.500 4.536 4.309 4.772 . 0 0 "[ . 1 . 2]" 1
650 1 32 ALA H 1 33 LEU HG . . 5.500 4.486 3.895 5.253 . 0 0 "[ . 1 . 2]" 1
651 1 32 ALA HA 1 33 LEU MD2 . . 5.470 5.175 4.983 5.361 . 0 0 "[ . 1 . 2]" 1
652 1 32 ALA HA 1 33 LEU HG . . 4.520 4.092 3.709 4.404 . 0 0 "[ . 1 . 2]" 1
653 1 32 ALA MB 1 33 LEU H . . 3.740 2.880 1.984 3.390 . 0 0 "[ . 1 . 2]" 1
654 1 32 ALA MB 1 33 LEU MD2 . . 5.240 5.223 5.109 5.269 0.029 7 0 "[ . 1 . 2]" 1
655 1 32 ALA MB 1 34 ALA HA . . 4.910 4.556 4.170 4.915 0.005 6 0 "[ . 1 . 2]" 1
656 1 32 ALA MB 1 42 HIS HE1 . . 5.500 5.324 4.600 5.512 0.012 13 0 "[ . 1 . 2]" 1
657 1 33 LEU H 1 33 LEU QB . . 3.920 2.391 2.244 2.683 . 0 0 "[ . 1 . 2]" 1
658 1 33 LEU H 1 33 LEU MD1 . . 4.810 3.768 3.586 4.122 . 0 0 "[ . 1 . 2]" 1
659 1 33 LEU H 1 33 LEU MD2 . . 4.580 4.107 3.801 4.512 . 0 0 "[ . 1 . 2]" 1
660 1 33 LEU H 1 33 LEU HG . . 4.870 3.087 2.765 3.680 . 0 0 "[ . 1 . 2]" 1
661 1 33 LEU H 1 34 ALA HA . . 5.220 4.956 4.437 5.162 . 0 0 "[ . 1 . 2]" 1
662 1 33 LEU H 1 34 ALA MB . . 5.490 5.314 4.109 5.505 0.015 9 0 "[ . 1 . 2]" 1
663 1 33 LEU HA 1 33 LEU MD1 . . 4.300 3.868 3.820 3.916 . 0 0 "[ . 1 . 2]" 1
664 1 33 LEU HA 1 33 LEU MD2 . . 2.940 2.271 1.972 2.589 . 0 0 "[ . 1 . 2]" 1
665 1 33 LEU HA 1 33 LEU HG . . 4.000 2.785 2.596 2.910 . 0 0 "[ . 1 . 2]" 1
666 1 33 LEU QB 1 33 LEU MD1 . . 2.940 1.996 1.930 2.057 . 0 0 "[ . 1 . 2]" 1
667 1 33 LEU QB 1 33 LEU MD2 . . 3.090 2.159 1.996 2.298 . 0 0 "[ . 1 . 2]" 1
668 1 33 LEU QB 1 39 GLY HA2 . . 4.650 3.127 2.380 3.714 . 0 0 "[ . 1 . 2]" 1
669 1 33 LEU QB 1 39 GLY QA . . 4.080 2.871 2.214 3.368 . 0 0 "[ . 1 . 2]" 1
670 1 33 LEU QB 1 39 GLY HA3 . . 4.650 3.357 2.634 3.855 . 0 0 "[ . 1 . 2]" 1
671 1 33 LEU QB 1 88 GLU QG . . 5.070 4.157 3.582 4.862 . 0 0 "[ . 1 . 2]" 1
672 1 33 LEU MD1 1 35 ASP HB3 . . 5.060 4.269 3.601 5.038 . 0 0 "[ . 1 . 2]" 1
673 1 33 LEU MD1 1 38 LEU MD1 . . 3.920 1.776 1.650 2.043 . 0 0 "[ . 1 . 2]" 1
674 1 33 LEU MD1 1 39 GLY H . . 5.080 4.336 4.010 4.778 . 0 0 "[ . 1 . 2]" 1
675 1 33 LEU MD1 1 39 GLY HA2 . . 4.500 2.828 2.265 3.313 . 0 0 "[ . 1 . 2]" 1
676 1 33 LEU MD1 1 39 GLY QA . . 3.680 2.765 2.241 3.202 . 0 0 "[ . 1 . 2]" 1
677 1 33 LEU MD1 1 39 GLY HA3 . . 4.500 3.941 3.557 4.271 . 0 0 "[ . 1 . 2]" 1
678 1 33 LEU MD1 1 42 HIS H . . 5.500 4.329 3.850 4.939 . 0 0 "[ . 1 . 2]" 1
679 1 33 LEU MD1 1 42 HIS HB2 . . 3.980 3.087 2.531 3.798 . 0 0 "[ . 1 . 2]" 1
680 1 33 LEU MD1 1 42 HIS HE1 . . 5.500 4.978 4.382 5.464 . 0 0 "[ . 1 . 2]" 1
681 1 33 LEU MD1 1 88 GLU HB3 . . 3.760 3.653 3.443 3.765 0.005 11 0 "[ . 1 . 2]" 1
682 1 33 LEU MD1 1 88 GLU QG . . 4.940 3.800 3.300 4.756 . 0 0 "[ . 1 . 2]" 1
683 1 33 LEU MD1 1 91 PHE H . . 5.500 5.201 4.928 5.509 0.009 15 0 "[ . 1 . 2]" 1
684 1 33 LEU MD1 1 91 PHE HB3 . . 3.870 3.241 3.112 3.548 . 0 0 "[ . 1 . 2]" 1
685 1 33 LEU MD1 1 91 PHE QD . . 3.500 2.097 1.882 2.507 . 0 0 "[ . 1 . 2]" 1
686 1 33 LEU MD1 1 91 PHE QE . . 4.220 3.025 2.411 3.482 . 0 0 "[ . 1 . 2]" 1
687 1 33 LEU MD1 1 95 LEU MD1 . . 5.190 4.582 4.176 4.944 . 0 0 "[ . 1 . 2]" 1
688 1 33 LEU MD2 1 34 ALA MB . . 4.870 4.788 4.291 4.902 0.032 15 0 "[ . 1 . 2]" 1
689 1 33 LEU MD2 1 35 ASP H . . 4.780 3.921 3.300 4.333 . 0 0 "[ . 1 . 2]" 1
690 1 33 LEU MD2 1 35 ASP HB3 . . 5.170 4.084 3.625 4.980 . 0 0 "[ . 1 . 2]" 1
691 1 33 LEU MD2 1 88 GLU H . . 5.500 5.440 5.035 5.518 0.018 2 0 "[ . 1 . 2]" 1
692 1 33 LEU MD2 1 88 GLU HA . . 4.250 3.517 3.256 3.662 . 0 0 "[ . 1 . 2]" 1
693 1 33 LEU MD2 1 88 GLU HB3 . . 3.650 3.227 2.688 3.653 0.003 8 0 "[ . 1 . 2]" 1
694 1 33 LEU MD2 1 88 GLU HG2 . . 3.940 2.718 1.996 3.944 0.004 9 0 "[ . 1 . 2]" 1
695 1 33 LEU MD2 1 88 GLU HG3 . . 3.940 3.043 2.199 3.944 0.004 18 0 "[ . 1 . 2]" 1
696 1 33 LEU MD2 1 91 PHE H . . 5.500 5.371 5.111 5.512 0.012 15 0 "[ . 1 . 2]" 1
697 1 33 LEU MD2 1 91 PHE HB2 . . 4.450 4.184 3.800 4.452 0.002 4 0 "[ . 1 . 2]" 1
698 1 33 LEU MD2 1 91 PHE HB3 . . 4.960 3.827 3.509 4.098 . 0 0 "[ . 1 . 2]" 1
699 1 33 LEU MD2 1 91 PHE QD . . 3.640 3.475 2.979 3.641 0.001 9 0 "[ . 1 . 2]" 1
700 1 33 LEU MD2 1 91 PHE QE . . 4.830 4.552 3.991 4.781 . 0 0 "[ . 1 . 2]" 1
701 1 34 ALA MB 1 35 ASP H . . 3.540 2.958 2.501 3.610 0.070 2 0 "[ . 1 . 2]" 1
702 1 34 ALA MB 1 35 ASP HA . . 4.560 3.860 3.646 4.161 . 0 0 "[ . 1 . 2]" 1
703 1 34 ALA MB 1 35 ASP HB2 . . 4.960 4.547 4.215 4.979 0.019 4 0 "[ . 1 . 2]" 1
704 1 34 ALA MB 1 35 ASP HB3 . . 5.500 5.213 4.815 5.487 . 0 0 "[ . 1 . 2]" 1
705 1 35 ASP H 1 35 ASP HB2 . . 3.880 2.391 2.202 2.815 . 0 0 "[ . 1 . 2]" 1
706 1 35 ASP H 1 35 ASP HB3 . . 4.060 2.816 2.427 3.558 . 0 0 "[ . 1 . 2]" 1
707 1 35 ASP HA 1 36 GLY QA . . 4.740 3.980 3.889 4.242 . 0 0 "[ . 1 . 2]" 1
708 1 35 ASP HB2 1 38 LEU H . . 5.500 5.305 4.923 5.537 0.037 15 0 "[ . 1 . 2]" 1
709 1 35 ASP HB2 1 38 LEU HB2 . . 5.410 4.456 4.164 4.726 . 0 0 "[ . 1 . 2]" 1
710 1 35 ASP HB2 1 38 LEU HB3 . . 4.180 3.339 2.931 3.548 . 0 0 "[ . 1 . 2]" 1
711 1 35 ASP HB2 1 38 LEU MD1 . . 3.970 3.383 2.465 3.935 . 0 0 "[ . 1 . 2]" 1
712 1 35 ASP HB2 1 38 LEU MD2 . . 5.360 5.253 4.917 5.393 0.033 18 0 "[ . 1 . 2]" 1
713 1 35 ASP HB2 1 38 LEU HG . . 4.560 4.012 3.516 4.193 . 0 0 "[ . 1 . 2]" 1
714 1 35 ASP HB2 1 88 GLU HB3 . . 5.080 4.794 3.913 5.086 0.006 13 0 "[ . 1 . 2]" 1
715 1 35 ASP HB3 1 38 LEU H . . 4.570 4.033 3.524 4.207 . 0 0 "[ . 1 . 2]" 1
716 1 35 ASP HB3 1 38 LEU HB2 . . 4.660 3.532 3.051 3.738 . 0 0 "[ . 1 . 2]" 1
717 1 35 ASP HB3 1 38 LEU HB3 . . 4.140 2.007 1.983 2.083 . 0 0 "[ . 1 . 2]" 1
718 1 35 ASP HB3 1 38 LEU MD1 . . 3.810 2.336 1.973 3.313 . 0 0 "[ . 1 . 2]" 1
719 1 35 ASP HB3 1 38 LEU HG . . 4.560 3.468 3.245 3.886 . 0 0 "[ . 1 . 2]" 1
720 1 36 GLY H 1 37 VAL H . . 4.470 3.662 2.843 4.479 0.009 4 0 "[ . 1 . 2]" 1
721 1 36 GLY QA 1 37 VAL H . . 3.540 2.202 2.109 2.441 . 0 0 "[ . 1 . 2]" 1
722 1 36 GLY QA 1 37 VAL MG2 . . 5.090 4.109 3.903 4.897 . 0 0 "[ . 1 . 2]" 1
723 1 37 VAL H 1 37 VAL HB . . 3.430 2.399 2.184 2.489 . 0 0 "[ . 1 . 2]" 1
724 1 37 VAL H 1 37 VAL MG1 . . 3.910 3.618 2.836 3.771 . 0 0 "[ . 1 . 2]" 1
725 1 37 VAL H 1 37 VAL MG2 . . 3.510 2.589 2.315 3.568 0.058 11 0 "[ . 1 . 2]" 1
726 1 37 VAL H 1 83 ARG HG3 . . 4.620 4.261 3.623 4.599 . 0 0 "[ . 1 . 2]" 1
727 1 37 VAL HA 1 37 VAL MG1 . . 3.190 2.625 2.506 3.144 . 0 0 "[ . 1 . 2]" 1
728 1 37 VAL HA 1 37 VAL MG2 . . 2.960 2.144 2.025 2.202 . 0 0 "[ . 1 . 2]" 1
729 1 37 VAL HA 1 38 LEU HA . . 5.180 4.913 4.867 4.991 . 0 0 "[ . 1 . 2]" 1
730 1 37 VAL HA 1 40 PHE H . . 3.820 3.324 3.213 3.424 . 0 0 "[ . 1 . 2]" 1
731 1 37 VAL HA 1 40 PHE HB2 . . 3.740 2.526 2.368 2.791 . 0 0 "[ . 1 . 2]" 1
732 1 37 VAL HA 1 40 PHE HB3 . . 4.190 3.474 3.227 4.142 . 0 0 "[ . 1 . 2]" 1
733 1 37 VAL HA 1 40 PHE QD . . 4.660 4.322 3.624 4.668 0.008 6 0 "[ . 1 . 2]" 1
734 1 37 VAL HB 1 38 LEU H . . 3.930 2.508 2.182 3.673 . 0 0 "[ . 1 . 2]" 1
735 1 37 VAL HB 1 40 PHE HB2 . . 5.500 5.282 4.888 5.513 0.013 18 0 "[ . 1 . 2]" 1
736 1 37 VAL HB 1 83 ARG HD3 . . 4.200 3.365 2.997 4.231 0.031 6 0 "[ . 1 . 2]" 1
737 1 37 VAL MG1 1 38 LEU H . . 3.740 2.452 1.909 2.944 . 0 0 "[ . 1 . 2]" 1
738 1 37 VAL MG1 1 38 LEU HA . . 4.210 2.928 2.788 3.125 . 0 0 "[ . 1 . 2]" 1
739 1 37 VAL MG1 1 38 LEU HB2 . . 4.540 3.771 3.418 4.173 . 0 0 "[ . 1 . 2]" 1
740 1 37 VAL MG1 1 40 PHE H . . 4.340 4.208 4.060 4.342 0.002 20 0 "[ . 1 . 2]" 1
741 1 37 VAL MG1 1 40 PHE HB2 . . 4.580 3.842 3.577 4.304 . 0 0 "[ . 1 . 2]" 1
742 1 37 VAL MG1 1 40 PHE HB3 . . 4.940 3.519 3.278 3.990 . 0 0 "[ . 1 . 2]" 1
743 1 37 VAL MG1 1 40 PHE QD . . 4.810 4.423 4.144 4.799 . 0 0 "[ . 1 . 2]" 1
744 1 37 VAL MG1 1 80 ALA HA . . 4.450 4.112 3.939 4.348 . 0 0 "[ . 1 . 2]" 1
745 1 37 VAL MG1 1 83 ARG H . . 3.860 3.769 3.608 3.896 0.036 18 0 "[ . 1 . 2]" 1
746 1 37 VAL MG1 1 83 ARG HD2 . . 3.950 3.325 3.182 3.534 . 0 0 "[ . 1 . 2]" 1
747 1 37 VAL MG1 1 83 ARG HD3 . . 3.490 1.911 1.791 2.103 . 0 0 "[ . 1 . 2]" 1
748 1 37 VAL MG1 1 83 ARG HG2 . . 4.080 2.757 2.570 2.974 . 0 0 "[ . 1 . 2]" 1
749 1 37 VAL MG1 1 83 ARG HG3 . . 3.750 2.684 1.936 3.182 . 0 0 "[ . 1 . 2]" 1
750 1 37 VAL MG1 1 84 SER H . . 4.730 4.156 3.867 4.390 . 0 0 "[ . 1 . 2]" 1
751 1 37 VAL MG2 1 40 PHE HB2 . . 4.700 3.846 2.522 4.141 . 0 0 "[ . 1 . 2]" 1
752 1 37 VAL MG2 1 40 PHE HB3 . . 4.790 4.327 2.751 4.713 . 0 0 "[ . 1 . 2]" 1
753 1 37 VAL MG2 1 40 PHE QD . . 5.130 4.585 2.722 4.980 . 0 0 "[ . 1 . 2]" 1
754 1 37 VAL MG2 1 78 GLN QE . . 4.560 4.485 3.836 4.581 0.021 8 0 "[ . 1 . 2]" 1
755 1 37 VAL MG2 1 83 ARG HD3 . . 4.160 3.509 3.231 4.041 . 0 0 "[ . 1 . 2]" 1
756 1 37 VAL MG2 1 83 ARG HG2 . . 5.350 4.736 4.474 5.217 . 0 0 "[ . 1 . 2]" 1
757 1 37 VAL MG2 1 83 ARG HG3 . . 4.540 3.841 3.502 4.572 0.032 11 0 "[ . 1 . 2]" 1
758 1 38 LEU H 1 38 LEU HB2 . . 4.100 2.531 2.491 2.580 . 0 0 "[ . 1 . 2]" 1
759 1 38 LEU H 1 38 LEU HB3 . . 4.150 2.548 2.477 2.602 . 0 0 "[ . 1 . 2]" 1
760 1 38 LEU H 1 38 LEU MD1 . . 4.320 4.084 4.018 4.135 . 0 0 "[ . 1 . 2]" 1
761 1 38 LEU H 1 38 LEU HG . . 5.180 4.627 4.608 4.641 . 0 0 "[ . 1 . 2]" 1
762 1 38 LEU H 1 39 GLY H . . 3.990 3.100 2.916 3.221 . 0 0 "[ . 1 . 2]" 1
763 1 38 LEU H 1 83 ARG HG2 . . 5.190 3.530 3.307 3.805 . 0 0 "[ . 1 . 2]" 1
764 1 38 LEU H 1 83 ARG HG3 . . 3.530 2.996 2.683 3.296 . 0 0 "[ . 1 . 2]" 1
765 1 38 LEU H 1 84 SER H . . 5.050 4.413 4.175 4.538 . 0 0 "[ . 1 . 2]" 1
766 1 38 LEU H 1 84 SER QB . . 4.730 4.305 4.223 4.545 . 0 0 "[ . 1 . 2]" 1
767 1 38 LEU HA 1 38 LEU MD1 . . 3.950 3.339 3.207 3.403 . 0 0 "[ . 1 . 2]" 1
768 1 38 LEU HA 1 38 LEU MD2 . . 2.880 1.949 1.920 1.966 . 0 0 "[ . 1 . 2]" 1
769 1 38 LEU HA 1 41 ILE H . . 4.520 4.053 3.894 4.158 . 0 0 "[ . 1 . 2]" 1
770 1 38 LEU HA 1 41 ILE MD . . 3.430 2.761 2.423 3.358 . 0 0 "[ . 1 . 2]" 1
771 1 38 LEU HA 1 41 ILE HG13 . . 5.010 3.135 2.891 3.337 . 0 0 "[ . 1 . 2]" 1
772 1 38 LEU HA 1 79 ASP HB2 . . 4.190 4.056 3.803 4.192 0.002 11 0 "[ . 1 . 2]" 1
773 1 38 LEU HA 1 79 ASP HB3 . . 4.000 2.692 2.488 2.846 . 0 0 "[ . 1 . 2]" 1
774 1 38 LEU HA 1 80 ALA H . . 4.270 4.097 3.861 4.271 0.001 20 0 "[ . 1 . 2]" 1
775 1 38 LEU HA 1 92 ILE HG13 . . 5.320 4.663 4.429 4.943 . 0 0 "[ . 1 . 2]" 1
776 1 38 LEU HB2 1 39 GLY H . . 4.950 3.805 3.686 3.944 . 0 0 "[ . 1 . 2]" 1
777 1 38 LEU HB2 1 88 GLU HB2 . . 5.380 5.392 5.324 5.423 0.043 15 0 "[ . 1 . 2]" 1
778 1 38 LEU HB2 1 88 GLU HB3 . . 5.120 4.815 4.519 5.053 . 0 0 "[ . 1 . 2]" 1
779 1 38 LEU HB3 1 38 LEU MD1 . . 3.180 2.121 2.062 2.195 . 0 0 "[ . 1 . 2]" 1
780 1 38 LEU HB3 1 38 LEU MD2 . . 3.290 3.174 3.154 3.189 . 0 0 "[ . 1 . 2]" 1
781 1 38 LEU HB3 1 39 GLY H . . 4.850 2.378 2.190 2.604 . 0 0 "[ . 1 . 2]" 1
782 1 38 LEU HB3 1 40 PHE H . . 5.090 4.818 4.680 4.937 . 0 0 "[ . 1 . 2]" 1
783 1 38 LEU HB3 1 80 ALA HA . . 5.000 4.697 4.411 4.890 . 0 0 "[ . 1 . 2]" 1
784 1 38 LEU MD1 1 41 ILE H . . 4.750 4.253 3.963 4.473 . 0 0 "[ . 1 . 2]" 1
785 1 38 LEU MD1 1 84 SER H . . 5.500 5.467 5.194 5.558 0.058 1 0 "[ . 1 . 2]" 1
786 1 38 LEU MD1 1 84 SER QB . . 4.630 3.642 3.255 3.914 . 0 0 "[ . 1 . 2]" 1
787 1 38 LEU MD1 1 88 GLU HB3 . . 3.650 3.034 2.842 3.472 . 0 0 "[ . 1 . 2]" 1
788 1 38 LEU MD1 1 88 GLU QG . . 4.500 3.619 3.200 4.396 . 0 0 "[ . 1 . 2]" 1
789 1 38 LEU MD1 1 89 VAL H . . 5.500 5.484 5.363 5.540 0.040 18 0 "[ . 1 . 2]" 1
790 1 38 LEU MD1 1 89 VAL HA . . 4.850 4.687 4.265 4.864 0.014 3 0 "[ . 1 . 2]" 1
791 1 38 LEU MD1 1 92 ILE H . . 5.240 4.608 4.251 4.808 . 0 0 "[ . 1 . 2]" 1
792 1 38 LEU MD1 1 92 ILE HB . . 4.850 4.660 4.276 4.848 . 0 0 "[ . 1 . 2]" 1
793 1 38 LEU MD1 1 92 ILE MD . . 4.150 2.627 2.394 2.804 . 0 0 "[ . 1 . 2]" 1
794 1 38 LEU MD2 1 39 GLY H . . 5.160 3.993 3.837 4.224 . 0 0 "[ . 1 . 2]" 1
795 1 38 LEU MD2 1 42 HIS H . . 5.500 4.384 4.210 4.664 . 0 0 "[ . 1 . 2]" 1
796 1 38 LEU MD2 1 79 ASP HB2 . . 4.560 4.485 4.355 4.573 0.013 13 0 "[ . 1 . 2]" 1
797 1 38 LEU MD2 1 79 ASP HB3 . . 4.210 3.825 3.716 3.934 . 0 0 "[ . 1 . 2]" 1
798 1 38 LEU MD2 1 80 ALA H . . 3.790 3.630 3.409 3.717 . 0 0 "[ . 1 . 2]" 1
799 1 38 LEU MD2 1 80 ALA HA . . 3.090 1.928 1.884 1.952 . 0 0 "[ . 1 . 2]" 1
800 1 38 LEU MD2 1 80 ALA MB . . 2.740 1.843 1.682 1.982 . 0 0 "[ . 1 . 2]" 1
801 1 38 LEU MD2 1 81 HIS H . . 4.550 4.540 4.349 4.596 0.046 13 0 "[ . 1 . 2]" 1
802 1 38 LEU MD2 1 81 HIS HA . . 5.500 5.498 5.289 5.534 0.034 8 0 "[ . 1 . 2]" 1
803 1 38 LEU MD2 1 83 ARG H . . 5.310 5.056 4.945 5.189 . 0 0 "[ . 1 . 2]" 1
804 1 38 LEU MD2 1 83 ARG HD3 . . 5.500 5.527 5.366 5.567 0.067 10 0 "[ . 1 . 2]" 1
805 1 38 LEU MD2 1 83 ARG HG2 . . 4.620 4.411 4.228 4.561 . 0 0 "[ . 1 . 2]" 1
806 1 38 LEU MD2 1 84 SER HA . . 4.860 4.218 4.031 4.818 . 0 0 "[ . 1 . 2]" 1
807 1 38 LEU MD2 1 84 SER QB . . 3.710 1.933 1.830 2.330 . 0 0 "[ . 1 . 2]" 1
808 1 38 LEU MD2 1 89 VAL HA . . 3.910 2.950 2.528 3.081 . 0 0 "[ . 1 . 2]" 1
809 1 38 LEU MD2 1 92 ILE H . . 4.280 4.026 3.756 4.235 . 0 0 "[ . 1 . 2]" 1
810 1 38 LEU MD2 1 92 ILE HB . . 4.040 3.241 2.919 3.406 . 0 0 "[ . 1 . 2]" 1
811 1 38 LEU MD2 1 92 ILE MD . . 3.430 3.171 2.999 3.364 . 0 0 "[ . 1 . 2]" 1
812 1 38 LEU MD2 1 92 ILE HG12 . . 3.780 2.285 1.983 2.601 . 0 0 "[ . 1 . 2]" 1
813 1 38 LEU MD2 1 92 ILE HG13 . . 3.760 2.005 1.914 2.287 . 0 0 "[ . 1 . 2]" 1
814 1 38 LEU HG 1 80 ALA HA . . 4.090 3.919 3.728 4.084 . 0 0 "[ . 1 . 2]" 1
815 1 38 LEU HG 1 84 SER HB2 . . 4.570 2.273 2.014 2.875 . 0 0 "[ . 1 . 2]" 1
816 1 38 LEU HG 1 84 SER HB3 . . 4.570 3.345 2.011 3.654 . 0 0 "[ . 1 . 2]" 1
817 1 38 LEU HG 1 85 ASP H . . 5.500 4.821 4.582 5.359 . 0 0 "[ . 1 . 2]" 1
818 1 39 GLY H 1 40 PHE H . . 3.670 2.744 2.579 2.882 . 0 0 "[ . 1 . 2]" 1
819 1 39 GLY H 1 40 PHE HB3 . . 5.500 5.290 5.091 5.410 . 0 0 "[ . 1 . 2]" 1
820 1 39 GLY QA 1 41 ILE H . . 4.880 3.475 3.301 3.778 . 0 0 "[ . 1 . 2]" 1
821 1 39 GLY QA 1 42 HIS H . . 4.700 3.131 2.939 3.390 . 0 0 "[ . 1 . 2]" 1
822 1 39 GLY QA 1 42 HIS HB2 . . 4.200 3.489 3.283 3.656 . 0 0 "[ . 1 . 2]" 1
823 1 39 GLY QA 1 42 HIS HB3 . . 4.190 3.029 2.803 3.441 . 0 0 "[ . 1 . 2]" 1
824 1 39 GLY HA2 1 42 HIS HB3 . . 4.820 3.109 2.852 3.567 . 0 0 "[ . 1 . 2]" 1
825 1 39 GLY HA3 1 42 HIS HB3 . . 4.820 4.193 4.009 4.521 . 0 0 "[ . 1 . 2]" 1
826 1 40 PHE H 1 40 PHE HB2 . . 3.260 2.258 2.208 2.326 . 0 0 "[ . 1 . 2]" 1
827 1 40 PHE H 1 40 PHE HB3 . . 3.240 2.896 2.755 2.976 . 0 0 "[ . 1 . 2]" 1
828 1 40 PHE H 1 40 PHE QD . . 4.310 3.956 3.847 4.090 . 0 0 "[ . 1 . 2]" 1
829 1 40 PHE H 1 41 ILE H . . 3.530 2.872 2.717 3.047 . 0 0 "[ . 1 . 2]" 1
830 1 40 PHE HA 1 40 PHE QD . . 3.780 2.314 2.005 3.017 . 0 0 "[ . 1 . 2]" 1
831 1 40 PHE HA 1 43 HIS H . . 4.250 3.911 3.829 4.029 . 0 0 "[ . 1 . 2]" 1
832 1 40 PHE HA 1 43 HIS HB2 . . 4.200 3.864 3.572 4.112 . 0 0 "[ . 1 . 2]" 1
833 1 40 PHE HA 1 43 HIS HB3 . . 4.150 3.229 3.029 3.452 . 0 0 "[ . 1 . 2]" 1
834 1 40 PHE HA 1 44 GLN H . . 4.870 4.069 3.922 4.420 . 0 0 "[ . 1 . 2]" 1
835 1 40 PHE HB2 1 41 ILE H . . 4.030 3.844 3.661 3.985 . 0 0 "[ . 1 . 2]" 1
836 1 40 PHE HB2 1 41 ILE HG12 . . 5.500 5.495 5.454 5.519 0.019 11 0 "[ . 1 . 2]" 1
837 1 40 PHE HB2 1 41 ILE HG13 . . 5.170 4.742 4.589 4.904 . 0 0 "[ . 1 . 2]" 1
838 1 40 PHE HB3 1 41 ILE H . . 4.170 2.886 2.508 3.089 . 0 0 "[ . 1 . 2]" 1
839 1 40 PHE HB3 1 41 ILE HB . . 5.470 5.313 5.079 5.464 . 0 0 "[ . 1 . 2]" 1
840 1 40 PHE HB3 1 41 ILE HG12 . . 4.840 3.838 3.765 3.886 . 0 0 "[ . 1 . 2]" 1
841 1 40 PHE HB3 1 42 HIS H . . 5.500 5.486 5.433 5.515 0.015 10 0 "[ . 1 . 2]" 1
842 1 40 PHE QD 1 41 ILE H . . 4.730 4.390 3.685 4.551 . 0 0 "[ . 1 . 2]" 1
843 1 40 PHE QD 1 41 ILE HA . . 4.730 4.388 3.200 4.728 . 0 0 "[ . 1 . 2]" 1
844 1 40 PHE QD 1 41 ILE MD . . 5.500 5.426 5.109 5.513 0.013 11 0 "[ . 1 . 2]" 1
845 1 40 PHE QD 1 41 ILE HG12 . . 4.850 4.409 3.913 4.568 . 0 0 "[ . 1 . 2]" 1
846 1 40 PHE QD 1 41 ILE HG13 . . 4.980 4.791 4.486 4.929 . 0 0 "[ . 1 . 2]" 1
847 1 40 PHE QD 1 43 HIS HD2 . . 5.140 4.718 4.155 5.141 0.001 11 0 "[ . 1 . 2]" 1
848 1 40 PHE QD 1 44 GLN H . . 5.170 5.031 3.736 5.182 0.012 19 0 "[ . 1 . 2]" 1
849 1 40 PHE QD 1 44 GLN HE21 . . 4.440 3.113 2.175 3.633 . 0 0 "[ . 1 . 2]" 1
850 1 40 PHE QD 1 44 GLN HE22 . . 4.550 2.266 1.906 2.802 . 0 0 "[ . 1 . 2]" 1
851 1 40 PHE QD 1 44 GLN HG2 . . 5.280 4.908 4.257 5.208 . 0 0 "[ . 1 . 2]" 1
852 1 40 PHE QD 1 44 GLN HG3 . . 4.050 3.922 2.822 4.060 0.010 7 0 "[ . 1 . 2]" 1
853 1 40 PHE QD 1 76 LEU MD2 . . 4.420 3.477 3.233 4.028 . 0 0 "[ . 1 . 2]" 1
854 1 40 PHE HZ 1 44 GLN HG3 . . 4.930 4.573 4.308 4.751 . 0 0 "[ . 1 . 2]" 1
855 1 40 PHE HZ 1 76 LEU MD2 . . 5.500 5.350 4.828 5.511 0.011 18 0 "[ . 1 . 2]" 1
856 1 41 ILE H 1 41 ILE HB . . 3.460 2.711 2.696 2.748 . 0 0 "[ . 1 . 2]" 1
857 1 41 ILE H 1 41 ILE MD . . 3.790 3.544 3.500 3.584 . 0 0 "[ . 1 . 2]" 1
858 1 41 ILE H 1 41 ILE HG12 . . 3.840 3.048 2.920 3.149 . 0 0 "[ . 1 . 2]" 1
859 1 41 ILE H 1 41 ILE HG13 . . 4.030 1.892 1.877 1.917 . 0 0 "[ . 1 . 2]" 1
860 1 41 ILE H 1 41 ILE MG . . 3.780 3.768 3.752 3.782 0.002 1 0 "[ . 1 . 2]" 1
861 1 41 ILE H 1 42 HIS H . . 3.960 2.695 2.490 3.017 . 0 0 "[ . 1 . 2]" 1
862 1 41 ILE H 1 92 ILE MD . . 5.260 4.829 4.480 5.133 . 0 0 "[ . 1 . 2]" 1
863 1 41 ILE H 1 92 ILE MG . . 5.020 4.554 4.383 4.831 . 0 0 "[ . 1 . 2]" 1
864 1 41 ILE HA 1 41 ILE MD . . 3.980 3.875 3.821 3.911 . 0 0 "[ . 1 . 2]" 1
865 1 41 ILE HA 1 41 ILE HG12 . . 3.960 2.662 2.582 2.729 . 0 0 "[ . 1 . 2]" 1
866 1 41 ILE HA 1 41 ILE HG13 . . 3.560 3.242 3.183 3.289 . 0 0 "[ . 1 . 2]" 1
867 1 41 ILE HA 1 41 ILE MG . . 3.190 2.213 2.152 2.288 . 0 0 "[ . 1 . 2]" 1
868 1 41 ILE HA 1 42 HIS HA . . 5.400 4.847 4.818 4.894 . 0 0 "[ . 1 . 2]" 1
869 1 41 ILE HA 1 43 HIS H . . 4.940 4.494 4.219 4.694 . 0 0 "[ . 1 . 2]" 1
870 1 41 ILE HA 1 44 GLN H . . 3.990 3.478 3.328 3.581 . 0 0 "[ . 1 . 2]" 1
871 1 41 ILE HA 1 44 GLN HA . . 5.450 5.378 5.223 5.451 0.001 2 0 "[ . 1 . 2]" 1
872 1 41 ILE HA 1 44 GLN HB2 . . 3.900 2.500 2.359 2.609 . 0 0 "[ . 1 . 2]" 1
873 1 41 ILE HA 1 44 GLN HB3 . . 4.300 4.033 3.925 4.214 . 0 0 "[ . 1 . 2]" 1
874 1 41 ILE HA 1 44 GLN HE21 . . 4.780 1.996 1.898 2.302 . 0 0 "[ . 1 . 2]" 1
875 1 41 ILE HA 1 44 GLN HE22 . . 4.500 3.152 2.898 3.367 . 0 0 "[ . 1 . 2]" 1
876 1 41 ILE HA 1 44 GLN HG2 . . 5.240 5.154 4.975 5.255 0.015 11 0 "[ . 1 . 2]" 1
877 1 41 ILE HA 1 44 GLN HG3 . . 4.360 4.230 4.090 4.332 . 0 0 "[ . 1 . 2]" 1
878 1 41 ILE HA 1 45 ILE H . . 4.900 3.569 3.439 3.710 . 0 0 "[ . 1 . 2]" 1
879 1 41 ILE HA 1 45 ILE MD . . 4.730 4.012 3.868 4.179 . 0 0 "[ . 1 . 2]" 1
880 1 41 ILE HA 1 76 LEU HA . . 5.500 5.315 5.187 5.491 . 0 0 "[ . 1 . 2]" 1
881 1 41 ILE HA 1 76 LEU MD1 . . 4.190 3.037 2.772 3.385 . 0 0 "[ . 1 . 2]" 1
882 1 41 ILE HA 1 76 LEU MD2 . . 4.110 3.831 3.634 4.048 . 0 0 "[ . 1 . 2]" 1
883 1 41 ILE HB 1 41 ILE MD . . 3.360 2.396 2.328 2.526 . 0 0 "[ . 1 . 2]" 1
884 1 41 ILE HB 1 42 HIS H . . 3.930 2.215 1.962 2.400 . 0 0 "[ . 1 . 2]" 1
885 1 41 ILE HB 1 80 ALA MB . . 4.670 4.026 3.923 4.226 . 0 0 "[ . 1 . 2]" 1
886 1 41 ILE HB 1 92 ILE MD . . 3.680 3.420 3.225 3.653 . 0 0 "[ . 1 . 2]" 1
887 1 41 ILE HB 1 92 ILE HG13 . . 4.400 3.038 2.741 3.405 . 0 0 "[ . 1 . 2]" 1
888 1 41 ILE HB 1 92 ILE MG . . 3.770 2.189 2.008 2.489 . 0 0 "[ . 1 . 2]" 1
889 1 41 ILE MD 1 77 LEU H . . 4.270 3.921 3.663 4.053 . 0 0 "[ . 1 . 2]" 1
890 1 41 ILE MD 1 77 LEU HA . . 3.090 2.389 1.957 2.598 . 0 0 "[ . 1 . 2]" 1
891 1 41 ILE MD 1 78 GLN H . . 4.440 4.012 3.870 4.126 . 0 0 "[ . 1 . 2]" 1
892 1 41 ILE MD 1 78 GLN HE21 . . 5.020 4.181 4.056 4.365 . 0 0 "[ . 1 . 2]" 1
893 1 41 ILE MD 1 78 GLN QE . . 4.220 3.958 3.873 4.078 . 0 0 "[ . 1 . 2]" 1
894 1 41 ILE MD 1 78 GLN HE22 . . 5.020 4.896 4.834 4.942 . 0 0 "[ . 1 . 2]" 1
895 1 41 ILE MD 1 79 ASP H . . 4.720 2.890 2.795 3.004 . 0 0 "[ . 1 . 2]" 1
896 1 41 ILE MD 1 79 ASP HA . . 4.470 3.819 3.698 4.005 . 0 0 "[ . 1 . 2]" 1
897 1 41 ILE MD 1 79 ASP HB2 . . 3.610 1.951 1.916 2.001 . 0 0 "[ . 1 . 2]" 1
898 1 41 ILE MD 1 79 ASP HB3 . . 3.550 2.471 2.144 2.886 . 0 0 "[ . 1 . 2]" 1
899 1 41 ILE MD 1 80 ALA H . . 3.440 1.906 1.789 2.054 . 0 0 "[ . 1 . 2]" 1
900 1 41 ILE MD 1 80 ALA HA . . 3.450 3.011 2.869 3.401 . 0 0 "[ . 1 . 2]" 1
901 1 41 ILE MD 1 80 ALA MB . . 3.220 1.942 1.848 2.100 . 0 0 "[ . 1 . 2]" 1
902 1 41 ILE MD 1 81 HIS H . . 4.240 3.843 3.749 3.940 . 0 0 "[ . 1 . 2]" 1
903 1 41 ILE MD 1 81 HIS HD2 . . 5.180 4.360 4.192 4.593 . 0 0 "[ . 1 . 2]" 1
904 1 41 ILE HG12 1 42 HIS H . . 4.670 4.667 4.595 4.695 0.025 16 0 "[ . 1 . 2]" 1
905 1 41 ILE HG12 1 77 LEU H . . 5.430 4.999 4.729 5.340 . 0 0 "[ . 1 . 2]" 1
906 1 41 ILE HG12 1 78 GLN HE21 . . 5.160 4.277 4.152 4.444 . 0 0 "[ . 1 . 2]" 1
907 1 41 ILE HG12 1 78 GLN QE . . 4.490 4.085 3.993 4.201 . 0 0 "[ . 1 . 2]" 1
908 1 41 ILE HG12 1 78 GLN HE22 . . 5.160 5.181 5.168 5.197 0.037 9 0 "[ . 1 . 2]" 1
909 1 41 ILE HG12 1 79 ASP HB2 . . 5.210 2.041 1.974 2.244 . 0 0 "[ . 1 . 2]" 1
910 1 41 ILE HG13 1 41 ILE MG . . 3.310 3.187 3.183 3.191 . 0 0 "[ . 1 . 2]" 1
911 1 41 ILE MG 1 42 HIS H . . 4.210 3.469 3.164 3.679 . 0 0 "[ . 1 . 2]" 1
912 1 41 ILE MG 1 42 HIS HA . . 4.230 3.832 3.638 4.005 . 0 0 "[ . 1 . 2]" 1
913 1 41 ILE MG 1 42 HIS HB2 . . 5.000 4.806 4.614 4.979 . 0 0 "[ . 1 . 2]" 1
914 1 41 ILE MG 1 43 HIS H . . 5.350 5.122 4.792 5.328 . 0 0 "[ . 1 . 2]" 1
915 1 41 ILE MG 1 44 GLN HB2 . . 4.180 3.644 3.414 3.717 . 0 0 "[ . 1 . 2]" 1
916 1 41 ILE MG 1 45 ILE H . . 4.710 3.417 3.145 3.537 . 0 0 "[ . 1 . 2]" 1
917 1 41 ILE MG 1 45 ILE HA . . 5.190 4.864 4.673 5.007 . 0 0 "[ . 1 . 2]" 1
918 1 41 ILE MG 1 76 LEU HA . . 4.680 4.154 3.853 4.399 . 0 0 "[ . 1 . 2]" 1
919 1 41 ILE MG 1 76 LEU HB2 . . 3.300 2.634 2.448 2.880 . 0 0 "[ . 1 . 2]" 1
920 1 41 ILE MG 1 77 LEU H . . 4.520 3.462 3.244 3.730 . 0 0 "[ . 1 . 2]" 1
921 1 41 ILE MG 1 79 ASP HB2 . . 4.880 3.734 3.603 4.016 . 0 0 "[ . 1 . 2]" 1
922 1 41 ILE MG 1 79 ASP HB3 . . 5.010 4.757 4.618 5.021 0.011 8 0 "[ . 1 . 2]" 1
923 1 41 ILE MG 1 80 ALA MB . . 4.300 3.838 3.709 4.094 . 0 0 "[ . 1 . 2]" 1
924 1 41 ILE MG 1 92 ILE HA . . 5.030 4.622 4.448 4.784 . 0 0 "[ . 1 . 2]" 1
925 1 41 ILE MG 1 92 ILE HB . . 4.710 4.206 4.070 4.356 . 0 0 "[ . 1 . 2]" 1
926 1 41 ILE MG 1 92 ILE HG13 . . 4.580 3.857 3.582 4.189 . 0 0 "[ . 1 . 2]" 1
927 1 41 ILE MG 1 92 ILE MG . . 2.710 1.900 1.811 2.065 . 0 0 "[ . 1 . 2]" 1
928 1 42 HIS H 1 42 HIS HB2 . . 3.610 2.467 2.282 2.599 . 0 0 "[ . 1 . 2]" 1
929 1 42 HIS H 1 42 HIS HB3 . . 3.540 2.614 2.477 2.865 . 0 0 "[ . 1 . 2]" 1
930 1 42 HIS H 1 43 HIS H . . 3.770 2.894 2.754 3.004 . 0 0 "[ . 1 . 2]" 1
931 1 42 HIS H 1 43 HIS HA . . 5.500 5.454 5.352 5.540 0.040 11 0 "[ . 1 . 2]" 1
932 1 42 HIS H 1 44 GLN H . . 4.960 4.326 4.189 4.535 . 0 0 "[ . 1 . 2]" 1
933 1 42 HIS H 1 45 ILE MD . . 4.990 4.339 3.961 4.543 . 0 0 "[ . 1 . 2]" 1
934 1 42 HIS H 1 92 ILE MD . . 3.940 3.012 2.701 3.220 . 0 0 "[ . 1 . 2]" 1
935 1 42 HIS H 1 92 ILE MG . . 4.280 3.338 2.970 3.812 . 0 0 "[ . 1 . 2]" 1
936 1 42 HIS HA 1 42 HIS HD2 . . 3.720 2.437 2.341 2.601 . 0 0 "[ . 1 . 2]" 1
937 1 42 HIS HA 1 45 ILE H . . 4.440 4.106 3.889 4.299 . 0 0 "[ . 1 . 2]" 1
938 1 42 HIS HA 1 45 ILE HB . . 3.490 3.136 2.978 3.308 . 0 0 "[ . 1 . 2]" 1
939 1 42 HIS HA 1 45 ILE MD . . 3.570 3.321 3.059 3.526 . 0 0 "[ . 1 . 2]" 1
940 1 42 HIS HA 1 45 ILE MG . . 4.660 4.323 4.049 4.487 . 0 0 "[ . 1 . 2]" 1
941 1 42 HIS HA 1 92 ILE MD . . 3.550 3.037 2.871 3.280 . 0 0 "[ . 1 . 2]" 1
942 1 42 HIS HA 1 92 ILE HG13 . . 5.500 4.999 4.646 5.335 . 0 0 "[ . 1 . 2]" 1
943 1 42 HIS HA 1 92 ILE MG . . 4.430 3.587 3.346 3.867 . 0 0 "[ . 1 . 2]" 1
944 1 42 HIS HA 1 95 LEU MD1 . . 4.390 4.238 3.980 4.403 0.013 9 0 "[ . 1 . 2]" 1
945 1 42 HIS HA 1 95 LEU MD2 . . 4.180 3.093 2.602 3.358 . 0 0 "[ . 1 . 2]" 1
946 1 42 HIS HB2 1 43 HIS H . . 4.290 3.814 3.682 3.914 . 0 0 "[ . 1 . 2]" 1
947 1 42 HIS HB2 1 92 ILE MD . . 3.950 1.919 1.822 2.043 . 0 0 "[ . 1 . 2]" 1
948 1 42 HIS HB3 1 43 HIS H . . 3.330 2.487 2.322 2.617 . 0 0 "[ . 1 . 2]" 1
949 1 42 HIS HB3 1 46 VAL MG2 . . 4.660 4.426 4.105 4.613 . 0 0 "[ . 1 . 2]" 1
950 1 42 HIS HB3 1 92 ILE MD . . 3.880 3.270 2.890 3.563 . 0 0 "[ . 1 . 2]" 1
951 1 42 HIS HB3 1 95 LEU MD2 . . 5.430 4.955 4.687 5.216 . 0 0 "[ . 1 . 2]" 1
952 1 42 HIS HD2 1 43 HIS H . . 5.500 4.961 4.717 5.440 . 0 0 "[ . 1 . 2]" 1
953 1 42 HIS HD2 1 45 ILE HB . . 4.970 4.067 3.765 4.545 . 0 0 "[ . 1 . 2]" 1
954 1 42 HIS HD2 1 45 ILE MD . . 4.900 4.640 4.345 4.850 . 0 0 "[ . 1 . 2]" 1
955 1 42 HIS HD2 1 45 ILE MG . . 5.080 4.413 3.975 4.774 . 0 0 "[ . 1 . 2]" 1
956 1 42 HIS HD2 1 46 VAL H . . 5.250 3.753 3.576 4.544 . 0 0 "[ . 1 . 2]" 1
957 1 42 HIS HD2 1 46 VAL MG1 . . 5.450 4.625 4.365 5.237 . 0 0 "[ . 1 . 2]" 1
958 1 42 HIS HD2 1 46 VAL MG2 . . 3.500 2.030 1.885 2.800 . 0 0 "[ . 1 . 2]" 1
959 1 42 HIS HD2 1 92 ILE MD . . 4.800 3.813 3.015 4.082 . 0 0 "[ . 1 . 2]" 1
960 1 42 HIS HD2 1 95 LEU MD1 . . 3.630 3.346 2.598 3.613 . 0 0 "[ . 1 . 2]" 1
961 1 42 HIS HD2 1 95 LEU MD2 . . 3.670 1.934 1.837 2.077 . 0 0 "[ . 1 . 2]" 1
962 1 42 HIS HE1 1 46 VAL MG1 . . 5.500 5.328 5.010 5.500 . 0 0 "[ . 1 . 2]" 1
963 1 42 HIS HE1 1 46 VAL MG2 . . 4.730 3.974 3.784 4.141 . 0 0 "[ . 1 . 2]" 1
964 1 42 HIS HE1 1 91 PHE QE . . 4.560 3.609 3.305 4.223 . 0 0 "[ . 1 . 2]" 1
965 1 42 HIS HE1 1 91 PHE HZ . . 4.720 4.434 3.790 4.781 0.061 17 0 "[ . 1 . 2]" 1
966 1 42 HIS HE1 1 95 LEU MD1 . . 5.500 5.302 4.982 5.499 . 0 0 "[ . 1 . 2]" 1
967 1 42 HIS HE1 1 95 LEU MD2 . . 5.500 4.717 4.305 4.969 . 0 0 "[ . 1 . 2]" 1
968 1 43 HIS H 1 43 HIS HB2 . . 3.520 2.380 2.273 2.512 . 0 0 "[ . 1 . 2]" 1
969 1 43 HIS H 1 43 HIS HB3 . . 3.690 2.702 2.568 2.825 . 0 0 "[ . 1 . 2]" 1
970 1 43 HIS H 1 43 HIS HD2 . . 5.500 5.336 5.216 5.413 . 0 0 "[ . 1 . 2]" 1
971 1 43 HIS H 1 44 GLN H . . 3.560 2.696 2.571 2.789 . 0 0 "[ . 1 . 2]" 1
972 1 43 HIS H 1 44 GLN HB2 . . 4.670 4.607 4.520 4.679 0.009 8 0 "[ . 1 . 2]" 1
973 1 43 HIS H 1 44 GLN HE21 . . 5.500 5.055 4.663 5.240 . 0 0 "[ . 1 . 2]" 1
974 1 43 HIS H 1 45 ILE H . . 4.970 4.628 4.429 4.873 . 0 0 "[ . 1 . 2]" 1
975 1 43 HIS H 1 46 VAL H . . 5.430 5.030 4.918 5.133 . 0 0 "[ . 1 . 2]" 1
976 1 43 HIS H 1 46 VAL MG2 . . 5.240 4.629 4.366 4.874 . 0 0 "[ . 1 . 2]" 1
977 1 43 HIS H 1 92 ILE MD . . 4.960 4.907 4.619 4.970 0.010 17 0 "[ . 1 . 2]" 1
978 1 43 HIS HA 1 43 HIS HD2 . . 4.810 4.644 4.429 4.763 . 0 0 "[ . 1 . 2]" 1
979 1 43 HIS HA 1 45 ILE H . . 5.430 5.140 4.901 5.412 . 0 0 "[ . 1 . 2]" 1
980 1 43 HIS HA 1 46 VAL H . . 4.610 4.280 4.076 4.507 . 0 0 "[ . 1 . 2]" 1
981 1 43 HIS HA 1 46 VAL HB . . 3.680 2.988 2.838 3.177 . 0 0 "[ . 1 . 2]" 1
982 1 43 HIS HA 1 46 VAL MG2 . . 4.440 3.613 3.211 3.912 . 0 0 "[ . 1 . 2]" 1
983 1 43 HIS HA 1 47 GLU H . . 5.400 4.325 4.129 4.619 . 0 0 "[ . 1 . 2]" 1
984 1 43 HIS HB2 1 44 GLN H . . 4.050 3.693 3.561 3.825 . 0 0 "[ . 1 . 2]" 1
985 1 43 HIS HB3 1 44 GLN H . . 3.560 2.489 2.301 2.626 . 0 0 "[ . 1 . 2]" 1
986 1 43 HIS HB3 1 44 GLN HA . . 4.800 4.064 3.946 4.193 . 0 0 "[ . 1 . 2]" 1
987 1 43 HIS HB3 1 44 GLN HG2 . . 5.260 5.106 4.908 5.255 . 0 0 "[ . 1 . 2]" 1
988 1 43 HIS HB3 1 44 GLN HG3 . . 4.880 3.602 3.442 3.712 . 0 0 "[ . 1 . 2]" 1
989 1 43 HIS HD2 1 44 GLN H . . 5.130 4.660 4.128 5.042 . 0 0 "[ . 1 . 2]" 1
990 1 43 HIS HD2 1 44 GLN HA . . 5.190 4.738 4.074 5.151 . 0 0 "[ . 1 . 2]" 1
991 1 43 HIS HD2 1 44 GLN HG3 . . 4.930 4.447 3.784 4.930 0.000 9 0 "[ . 1 . 2]" 1
992 1 43 HIS HD2 1 47 GLU QG . . 5.020 4.474 3.540 5.023 0.003 10 0 "[ . 1 . 2]" 1
993 1 43 HIS HE1 1 47 GLU QG . . 4.580 4.045 3.515 4.581 0.001 10 0 "[ . 1 . 2]" 1
994 1 44 GLN H 1 44 GLN HB2 . . 3.220 2.249 2.212 2.326 . 0 0 "[ . 1 . 2]" 1
995 1 44 GLN H 1 44 GLN HB3 . . 3.640 3.529 3.510 3.559 . 0 0 "[ . 1 . 2]" 1
996 1 44 GLN H 1 44 GLN HE21 . . 5.500 3.277 3.004 3.360 . 0 0 "[ . 1 . 2]" 1
997 1 44 GLN H 1 44 GLN HE22 . . 5.030 4.962 4.715 5.039 0.009 6 0 "[ . 1 . 2]" 1
998 1 44 GLN H 1 44 GLN HG2 . . 4.130 3.937 3.789 4.036 . 0 0 "[ . 1 . 2]" 1
999 1 44 GLN H 1 44 GLN HG3 . . 3.530 2.719 2.519 2.813 . 0 0 "[ . 1 . 2]" 1
1000 1 44 GLN H 1 45 ILE H . . 3.620 2.943 2.857 3.024 . 0 0 "[ . 1 . 2]" 1
1001 1 44 GLN H 1 45 ILE HA . . 5.500 5.454 5.403 5.506 0.006 10 0 "[ . 1 . 2]" 1
1002 1 44 GLN H 1 46 VAL H . . 4.800 4.574 4.381 4.721 . 0 0 "[ . 1 . 2]" 1
1003 1 44 GLN H 1 76 LEU MD1 . . 4.460 4.420 4.286 4.470 0.010 10 0 "[ . 1 . 2]" 1
1004 1 44 GLN HA 1 44 GLN HE21 . . 5.500 4.508 4.395 4.593 . 0 0 "[ . 1 . 2]" 1
1005 1 44 GLN HA 1 44 GLN HG2 . . 3.560 2.539 2.506 2.638 . 0 0 "[ . 1 . 2]" 1
1006 1 44 GLN HA 1 44 GLN HG3 . . 3.760 2.685 2.577 2.774 . 0 0 "[ . 1 . 2]" 1
1007 1 44 GLN HA 1 45 ILE HA . . 5.260 4.837 4.812 4.862 . 0 0 "[ . 1 . 2]" 1
1008 1 44 GLN HA 1 47 GLU H . . 4.020 3.766 3.570 3.905 . 0 0 "[ . 1 . 2]" 1
1009 1 44 GLN HA 1 47 GLU HB2 . . 3.890 2.899 2.713 3.222 . 0 0 "[ . 1 . 2]" 1
1010 1 44 GLN HA 1 47 GLU QG . . 4.130 3.619 3.007 4.149 0.019 10 0 "[ . 1 . 2]" 1
1011 1 44 GLN HB2 1 44 GLN HE22 . . 4.610 3.428 3.338 3.533 . 0 0 "[ . 1 . 2]" 1
1012 1 44 GLN HB2 1 45 ILE H . . 4.100 2.357 2.255 2.507 . 0 0 "[ . 1 . 2]" 1
1013 1 44 GLN HB2 1 46 VAL H . . 5.330 5.231 5.036 5.331 0.001 11 0 "[ . 1 . 2]" 1
1014 1 44 GLN HB2 1 76 LEU MD1 . . 3.370 2.445 2.299 2.583 . 0 0 "[ . 1 . 2]" 1
1015 1 44 GLN HB2 1 76 LEU MD2 . . 4.500 3.712 3.512 3.878 . 0 0 "[ . 1 . 2]" 1
1016 1 44 GLN HB3 1 45 ILE H . . 4.540 2.830 2.623 3.050 . 0 0 "[ . 1 . 2]" 1
1017 1 44 GLN HB3 1 45 ILE HA . . 4.340 3.929 3.864 4.052 . 0 0 "[ . 1 . 2]" 1
1018 1 44 GLN HB3 1 76 LEU MD1 . . 3.270 2.178 1.980 2.284 . 0 0 "[ . 1 . 2]" 1
1019 1 44 GLN HB3 1 76 LEU MD2 . . 3.630 3.556 3.270 3.632 0.002 14 0 "[ . 1 . 2]" 1
1020 1 44 GLN HE21 1 76 LEU HB3 . . 4.630 3.542 3.247 3.925 . 0 0 "[ . 1 . 2]" 1
1021 1 44 GLN HE21 1 76 LEU MD2 . . 4.090 2.968 2.845 3.207 . 0 0 "[ . 1 . 2]" 1
1022 1 44 GLN HE22 1 76 LEU HB3 . . 4.580 3.124 2.799 3.489 . 0 0 "[ . 1 . 2]" 1
1023 1 44 GLN HE22 1 76 LEU MD2 . . 4.500 1.919 1.785 2.111 . 0 0 "[ . 1 . 2]" 1
1024 1 44 GLN HG2 1 45 ILE H . . 4.910 4.794 4.669 4.891 . 0 0 "[ . 1 . 2]" 1
1025 1 44 GLN HG2 1 76 LEU MD1 . . 4.260 3.582 3.180 3.765 . 0 0 "[ . 1 . 2]" 1
1026 1 44 GLN HG2 1 76 LEU MD2 . . 4.090 3.870 3.686 4.000 . 0 0 "[ . 1 . 2]" 1
1027 1 44 GLN HG3 1 45 ILE H . . 4.850 4.532 4.462 4.616 . 0 0 "[ . 1 . 2]" 1
1028 1 44 GLN HG3 1 76 LEU MD1 . . 4.210 3.992 3.849 4.155 . 0 0 "[ . 1 . 2]" 1
1029 1 44 GLN HG3 1 76 LEU MD2 . . 4.390 4.244 4.129 4.383 . 0 0 "[ . 1 . 2]" 1
1030 1 45 ILE H 1 45 ILE HB . . 3.370 2.565 2.419 2.668 . 0 0 "[ . 1 . 2]" 1
1031 1 45 ILE H 1 45 ILE MD . . 3.930 3.482 3.395 3.572 . 0 0 "[ . 1 . 2]" 1
1032 1 45 ILE H 1 45 ILE HG12 . . 3.960 3.397 3.248 3.673 . 0 0 "[ . 1 . 2]" 1
1033 1 45 ILE H 1 45 ILE HG13 . . 3.770 2.064 1.924 2.329 . 0 0 "[ . 1 . 2]" 1
1034 1 45 ILE H 1 45 ILE MG . . 3.850 3.767 3.742 3.779 . 0 0 "[ . 1 . 2]" 1
1035 1 45 ILE H 1 46 VAL H . . 3.990 3.112 3.007 3.207 . 0 0 "[ . 1 . 2]" 1
1036 1 45 ILE H 1 46 VAL HB . . 5.260 4.990 4.883 5.137 . 0 0 "[ . 1 . 2]" 1
1037 1 45 ILE H 1 46 VAL MG2 . . 4.910 4.779 4.574 4.924 0.014 11 0 "[ . 1 . 2]" 1
1038 1 45 ILE H 1 48 LEU H . . 5.500 4.665 4.578 4.802 . 0 0 "[ . 1 . 2]" 1
1039 1 45 ILE H 1 76 LEU MD1 . . 4.480 3.284 3.056 3.464 . 0 0 "[ . 1 . 2]" 1
1040 1 45 ILE H 1 76 LEU MD2 . . 5.490 5.250 4.947 5.495 0.005 14 0 "[ . 1 . 2]" 1
1041 1 45 ILE HA 1 45 ILE MD . . 4.270 3.830 3.801 3.857 . 0 0 "[ . 1 . 2]" 1
1042 1 45 ILE HA 1 45 ILE HG12 . . 3.620 2.547 2.480 2.608 . 0 0 "[ . 1 . 2]" 1
1043 1 45 ILE HA 1 45 ILE HG13 . . 3.970 2.879 2.683 2.986 . 0 0 "[ . 1 . 2]" 1
1044 1 45 ILE HA 1 45 ILE MG . . 3.170 2.441 2.418 2.487 . 0 0 "[ . 1 . 2]" 1
1045 1 45 ILE HA 1 48 LEU H . . 4.160 3.213 3.111 3.309 . 0 0 "[ . 1 . 2]" 1
1046 1 45 ILE HA 1 48 LEU HA . . 5.300 5.173 5.068 5.315 0.015 10 0 "[ . 1 . 2]" 1
1047 1 45 ILE HA 1 48 LEU HB2 . . 3.800 2.373 2.272 2.573 . 0 0 "[ . 1 . 2]" 1
1048 1 45 ILE HA 1 48 LEU HB3 . . 4.300 3.957 3.862 4.210 . 0 0 "[ . 1 . 2]" 1
1049 1 45 ILE HA 1 48 LEU MD1 . . 3.200 2.712 2.395 2.918 . 0 0 "[ . 1 . 2]" 1
1050 1 45 ILE HA 1 48 LEU MD2 . . 5.110 4.814 4.664 4.991 . 0 0 "[ . 1 . 2]" 1
1051 1 45 ILE HA 1 48 LEU HG . . 4.570 3.832 3.512 4.030 . 0 0 "[ . 1 . 2]" 1
1052 1 45 ILE HA 1 49 ALA H . . 4.810 3.940 3.787 4.175 . 0 0 "[ . 1 . 2]" 1
1053 1 45 ILE HA 1 99 LEU MD2 . . 4.270 3.377 3.250 3.489 . 0 0 "[ . 1 . 2]" 1
1054 1 45 ILE HB 1 45 ILE MD . . 3.320 2.373 2.250 2.436 . 0 0 "[ . 1 . 2]" 1
1055 1 45 ILE HB 1 46 VAL H . . 3.750 2.156 2.039 2.287 . 0 0 "[ . 1 . 2]" 1
1056 1 45 ILE HB 1 95 LEU HB2 . . 5.400 4.777 4.639 4.871 . 0 0 "[ . 1 . 2]" 1
1057 1 45 ILE HB 1 95 LEU MD2 . . 4.130 3.196 3.063 3.364 . 0 0 "[ . 1 . 2]" 1
1058 1 45 ILE MD 1 45 ILE MG . . 2.580 2.094 1.941 2.192 . 0 0 "[ . 1 . 2]" 1
1059 1 45 ILE MD 1 46 VAL H . . 4.750 4.177 4.071 4.310 . 0 0 "[ . 1 . 2]" 1
1060 1 45 ILE MD 1 77 LEU H . . 4.940 4.585 4.267 4.772 . 0 0 "[ . 1 . 2]" 1
1061 1 45 ILE MD 1 77 LEU HA . . 4.660 4.429 4.281 4.611 . 0 0 "[ . 1 . 2]" 1
1062 1 45 ILE MD 1 77 LEU HB2 . . 4.850 4.784 4.532 4.867 0.017 6 0 "[ . 1 . 2]" 1
1063 1 45 ILE MD 1 92 ILE HA . . 4.720 4.316 4.087 4.520 . 0 0 "[ . 1 . 2]" 1
1064 1 45 ILE MD 1 92 ILE HB . . 5.340 5.043 4.877 5.162 . 0 0 "[ . 1 . 2]" 1
1065 1 45 ILE MD 1 95 LEU H . . 4.980 4.786 4.675 4.919 . 0 0 "[ . 1 . 2]" 1
1066 1 45 ILE MD 1 95 LEU HA . . 4.860 4.748 4.629 4.856 . 0 0 "[ . 1 . 2]" 1
1067 1 45 ILE MD 1 95 LEU HB2 . . 3.710 3.119 2.937 3.236 . 0 0 "[ . 1 . 2]" 1
1068 1 45 ILE MD 1 95 LEU HB3 . . 3.840 2.815 2.640 2.997 . 0 0 "[ . 1 . 2]" 1
1069 1 45 ILE MD 1 95 LEU MD2 . . 3.520 3.309 3.099 3.441 . 0 0 "[ . 1 . 2]" 1
1070 1 45 ILE MD 1 96 VAL H . . 3.830 2.634 2.522 2.748 . 0 0 "[ . 1 . 2]" 1
1071 1 45 ILE MD 1 96 VAL HA . . 3.770 2.337 2.086 2.598 . 0 0 "[ . 1 . 2]" 1
1072 1 45 ILE MD 1 97 ARG H . . 4.890 4.738 4.618 4.837 . 0 0 "[ . 1 . 2]" 1
1073 1 45 ILE MD 1 99 LEU MD1 . . 5.500 5.369 5.197 5.465 . 0 0 "[ . 1 . 2]" 1
1074 1 45 ILE HG12 1 45 ILE MG . . 3.480 2.256 2.182 2.330 . 0 0 "[ . 1 . 2]" 1
1075 1 45 ILE HG12 1 99 LEU HB3 . . 5.500 5.455 5.271 5.511 0.011 15 0 "[ . 1 . 2]" 1
1076 1 45 ILE HG12 1 99 LEU MD2 . . 4.360 3.304 2.942 3.520 . 0 0 "[ . 1 . 2]" 1
1077 1 45 ILE HG13 1 45 ILE MG . . 3.510 3.184 3.177 3.192 . 0 0 "[ . 1 . 2]" 1
1078 1 45 ILE MG 1 46 VAL H . . 4.100 2.921 2.611 3.127 . 0 0 "[ . 1 . 2]" 1
1079 1 45 ILE MG 1 47 GLU H . . 5.050 4.557 4.387 4.690 . 0 0 "[ . 1 . 2]" 1
1080 1 45 ILE MG 1 49 ALA H . . 4.080 3.370 3.251 3.639 . 0 0 "[ . 1 . 2]" 1
1081 1 45 ILE MG 1 49 ALA HA . . 4.750 4.734 4.627 4.766 0.016 7 0 "[ . 1 . 2]" 1
1082 1 45 ILE MG 1 49 ALA MB . . 3.990 3.197 3.046 3.348 . 0 0 "[ . 1 . 2]" 1
1083 1 45 ILE MG 1 95 LEU HA . . 4.520 4.348 4.204 4.486 . 0 0 "[ . 1 . 2]" 1
1084 1 45 ILE MG 1 95 LEU HB2 . . 3.970 3.831 3.611 3.959 . 0 0 "[ . 1 . 2]" 1
1085 1 45 ILE MG 1 95 LEU HB3 . . 3.650 2.507 2.359 2.617 . 0 0 "[ . 1 . 2]" 1
1086 1 45 ILE MG 1 95 LEU MD2 . . 3.390 2.628 2.147 2.947 . 0 0 "[ . 1 . 2]" 1
1087 1 45 ILE MG 1 96 VAL H . . 4.730 3.869 3.777 3.980 . 0 0 "[ . 1 . 2]" 1
1088 1 45 ILE MG 1 99 LEU HB2 . . 4.130 2.981 2.863 3.198 . 0 0 "[ . 1 . 2]" 1
1089 1 45 ILE MG 1 99 LEU HB3 . . 4.400 3.679 3.432 4.082 . 0 0 "[ . 1 . 2]" 1
1090 1 45 ILE MG 1 99 LEU MD1 . . 3.410 3.285 3.139 3.415 0.005 14 0 "[ . 1 . 2]" 1
1091 1 45 ILE MG 1 99 LEU MD2 . . 3.090 1.852 1.693 2.032 . 0 0 "[ . 1 . 2]" 1
1092 1 46 VAL H 1 46 VAL HB . . 3.500 2.514 2.423 2.670 . 0 0 "[ . 1 . 2]" 1
1093 1 46 VAL H 1 46 VAL MG1 . . 3.900 3.770 3.744 3.791 . 0 0 "[ . 1 . 2]" 1
1094 1 46 VAL H 1 46 VAL MG2 . . 3.300 2.305 1.951 2.470 . 0 0 "[ . 1 . 2]" 1
1095 1 46 VAL H 1 47 GLU H . . 3.640 2.952 2.840 3.039 . 0 0 "[ . 1 . 2]" 1
1096 1 46 VAL H 1 49 ALA H . . 5.500 4.897 4.786 4.986 . 0 0 "[ . 1 . 2]" 1
1097 1 46 VAL HA 1 46 VAL MG1 . . 3.270 2.506 2.441 2.556 . 0 0 "[ . 1 . 2]" 1
1098 1 46 VAL HA 1 46 VAL MG2 . . 3.180 2.209 2.108 2.395 . 0 0 "[ . 1 . 2]" 1
1099 1 46 VAL HA 1 49 ALA H . . 4.210 3.813 3.609 4.017 . 0 0 "[ . 1 . 2]" 1
1100 1 46 VAL HA 1 49 ALA MB . . 3.320 2.896 2.672 3.130 . 0 0 "[ . 1 . 2]" 1
1101 1 46 VAL HA 1 50 ARG H . . 4.990 4.613 4.450 4.745 . 0 0 "[ . 1 . 2]" 1
1102 1 46 VAL HB 1 47 GLU H . . 3.880 2.726 2.570 2.936 . 0 0 "[ . 1 . 2]" 1
1103 1 46 VAL MG1 1 47 GLU H . . 4.060 3.206 2.993 3.585 . 0 0 "[ . 1 . 2]" 1
1104 1 46 VAL MG1 1 47 GLU HA . . 4.310 3.173 3.004 3.428 . 0 0 "[ . 1 . 2]" 1
1105 1 46 VAL MG1 1 47 GLU HB2 . . 5.500 4.660 4.492 5.013 . 0 0 "[ . 1 . 2]" 1
1106 1 46 VAL MG1 1 48 LEU H . . 5.500 4.902 4.710 5.109 . 0 0 "[ . 1 . 2]" 1
1107 1 46 VAL MG1 1 49 ALA H . . 5.500 4.997 4.615 5.232 . 0 0 "[ . 1 . 2]" 1
1108 1 46 VAL MG1 1 50 ARG H . . 4.750 4.489 4.236 4.702 . 0 0 "[ . 1 . 2]" 1
1109 1 46 VAL MG1 1 50 ARG QD . . 4.220 3.589 2.884 4.226 0.006 7 0 "[ . 1 . 2]" 1
1110 1 46 VAL MG1 1 50 ARG QG . . 3.830 3.331 3.105 3.570 . 0 0 "[ . 1 . 2]" 1
1111 1 46 VAL MG1 1 95 LEU MD2 . . 4.950 4.385 4.049 4.638 . 0 0 "[ . 1 . 2]" 1
1112 1 46 VAL MG2 1 47 GLU H . . 4.030 4.005 3.860 4.065 0.035 18 0 "[ . 1 . 2]" 1
1113 1 46 VAL MG2 1 95 LEU MD2 . . 3.240 2.385 2.208 2.586 . 0 0 "[ . 1 . 2]" 1
1114 1 47 GLU H 1 47 GLU HB2 . . 3.040 2.278 2.188 2.488 . 0 0 "[ . 1 . 2]" 1
1115 1 47 GLU H 1 47 GLU HB3 . . 3.950 3.504 2.861 3.605 . 0 0 "[ . 1 . 2]" 1
1116 1 47 GLU H 1 47 GLU HG2 . . 4.620 3.032 2.261 4.239 . 0 0 "[ . 1 . 2]" 1
1117 1 47 GLU H 1 47 GLU QG . . 3.900 2.746 2.228 3.920 0.020 10 0 "[ . 1 . 2]" 1
1118 1 47 GLU H 1 47 GLU HG3 . . 4.620 3.545 2.577 4.617 . 0 0 "[ . 1 . 2]" 1
1119 1 47 GLU H 1 48 LEU H . . 3.470 2.558 2.433 2.672 . 0 0 "[ . 1 . 2]" 1
1120 1 47 GLU H 1 48 LEU MD1 . . 5.500 5.402 5.258 5.501 0.001 5 0 "[ . 1 . 2]" 1
1121 1 47 GLU H 1 49 ALA H . . 4.690 4.271 4.005 4.544 . 0 0 "[ . 1 . 2]" 1
1122 1 47 GLU HA 1 47 GLU QG . . 3.560 2.509 2.142 2.828 . 0 0 "[ . 1 . 2]" 1
1123 1 47 GLU HA 1 49 ALA H . . 5.050 4.653 4.208 4.956 . 0 0 "[ . 1 . 2]" 1
1124 1 47 GLU HA 1 49 ALA MB . . 4.960 4.824 4.610 4.968 0.008 3 0 "[ . 1 . 2]" 1
1125 1 47 GLU HA 1 50 ARG H . . 3.960 3.778 3.598 3.950 . 0 0 "[ . 1 . 2]" 1
1126 1 47 GLU HA 1 50 ARG HB2 . . 3.750 3.505 3.219 3.743 . 0 0 "[ . 1 . 2]" 1
1127 1 47 GLU HA 1 50 ARG HG2 . . 4.820 4.197 3.105 4.804 . 0 0 "[ . 1 . 2]" 1
1128 1 47 GLU HA 1 50 ARG QG . . 4.110 2.966 2.597 3.409 . 0 0 "[ . 1 . 2]" 1
1129 1 47 GLU HA 1 50 ARG HG3 . . 4.820 3.056 2.616 3.503 . 0 0 "[ . 1 . 2]" 1
1130 1 47 GLU HA 1 51 ASP H . . 5.230 4.954 4.726 5.209 . 0 0 "[ . 1 . 2]" 1
1131 1 47 GLU HB2 1 48 LEU H . . 3.590 2.788 2.515 3.577 . 0 0 "[ . 1 . 2]" 1
1132 1 47 GLU HG2 1 48 LEU H . . 5.500 4.725 4.294 5.088 . 0 0 "[ . 1 . 2]" 1
1133 1 47 GLU HG3 1 48 LEU H . . 5.500 4.904 4.398 5.205 . 0 0 "[ . 1 . 2]" 1
1134 1 48 LEU H 1 48 LEU HB2 . . 3.230 2.188 2.163 2.250 . 0 0 "[ . 1 . 2]" 1
1135 1 48 LEU H 1 48 LEU HB3 . . 3.630 3.497 3.480 3.530 . 0 0 "[ . 1 . 2]" 1
1136 1 48 LEU H 1 48 LEU MD1 . . 4.040 3.726 3.620 3.841 . 0 0 "[ . 1 . 2]" 1
1137 1 48 LEU H 1 48 LEU MD2 . . 3.990 3.885 3.748 3.957 . 0 0 "[ . 1 . 2]" 1
1138 1 48 LEU H 1 48 LEU HG . . 3.190 2.892 2.717 2.981 . 0 0 "[ . 1 . 2]" 1
1139 1 48 LEU HA 1 48 LEU MD1 . . 4.330 3.818 3.805 3.833 . 0 0 "[ . 1 . 2]" 1
1140 1 48 LEU HA 1 48 LEU MD2 . . 2.910 2.067 1.968 2.195 . 0 0 "[ . 1 . 2]" 1
1141 1 48 LEU HA 1 48 LEU HG . . 3.360 2.761 2.687 2.851 . 0 0 "[ . 1 . 2]" 1
1142 1 48 LEU HA 1 49 ALA HA . . 5.500 4.891 4.825 4.937 . 0 0 "[ . 1 . 2]" 1
1143 1 48 LEU HA 1 50 ARG H . . 5.500 4.446 4.315 4.622 . 0 0 "[ . 1 . 2]" 1
1144 1 48 LEU HA 1 51 ASP H . . 4.330 3.565 3.494 3.656 . 0 0 "[ . 1 . 2]" 1
1145 1 48 LEU HA 1 51 ASP QB . . 3.520 3.048 2.929 3.177 . 0 0 "[ . 1 . 2]" 1
1146 1 48 LEU HA 1 69 MET ME . . 3.870 3.747 3.422 3.878 0.008 20 0 "[ . 1 . 2]" 1
1147 1 48 LEU HB2 1 48 LEU MD1 . . 3.280 2.275 2.157 2.368 . 0 0 "[ . 1 . 2]" 1
1148 1 48 LEU HB2 1 48 LEU MD2 . . 3.230 3.184 3.176 3.192 . 0 0 "[ . 1 . 2]" 1
1149 1 48 LEU HB2 1 49 ALA H . . 3.540 2.633 2.471 2.918 . 0 0 "[ . 1 . 2]" 1
1150 1 48 LEU HB2 1 49 ALA HA . . 4.890 4.600 4.512 4.676 . 0 0 "[ . 1 . 2]" 1
1151 1 48 LEU HB2 1 51 ASP QB . . 5.500 5.418 5.350 5.469 . 0 0 "[ . 1 . 2]" 1
1152 1 48 LEU HB2 1 99 LEU MD2 . . 4.860 3.295 3.149 3.397 . 0 0 "[ . 1 . 2]" 1
1153 1 48 LEU HB3 1 48 LEU MD1 . . 3.300 2.389 2.290 2.481 . 0 0 "[ . 1 . 2]" 1
1154 1 48 LEU HB3 1 48 LEU MD2 . . 3.150 2.298 2.237 2.360 . 0 0 "[ . 1 . 2]" 1
1155 1 48 LEU HB3 1 49 ALA H . . 4.230 3.105 2.832 3.425 . 0 0 "[ . 1 . 2]" 1
1156 1 48 LEU HB3 1 69 MET ME . . 3.240 1.994 1.955 2.054 . 0 0 "[ . 1 . 2]" 1
1157 1 48 LEU HB3 1 69 MET HG2 . . 4.650 4.571 4.305 4.662 0.012 6 0 "[ . 1 . 2]" 1
1158 1 48 LEU HB3 1 69 MET HG3 . . 4.590 3.940 3.529 4.470 . 0 0 "[ . 1 . 2]" 1
1159 1 48 LEU MD1 1 49 ALA H . . 5.240 4.436 4.255 4.754 . 0 0 "[ . 1 . 2]" 1
1160 1 48 LEU MD1 1 51 ASP QB . . 5.500 5.452 5.321 5.506 0.006 16 0 "[ . 1 . 2]" 1
1161 1 48 LEU MD1 1 69 MET ME . . 4.090 3.377 3.132 3.555 . 0 0 "[ . 1 . 2]" 1
1162 1 48 LEU MD1 1 69 MET HG2 . . 4.800 4.382 4.056 4.796 . 0 0 "[ . 1 . 2]" 1
1163 1 48 LEU MD1 1 69 MET HG3 . . 3.800 3.353 2.986 3.770 . 0 0 "[ . 1 . 2]" 1
1164 1 48 LEU MD1 1 72 LYS H . . 5.230 5.002 4.755 5.200 . 0 0 "[ . 1 . 2]" 1
1165 1 48 LEU MD1 1 72 LYS HB2 . . 3.970 3.224 2.976 3.420 . 0 0 "[ . 1 . 2]" 1
1166 1 48 LEU MD1 1 72 LYS QB . . 3.470 2.675 2.417 2.849 . 0 0 "[ . 1 . 2]" 1
1167 1 48 LEU MD1 1 72 LYS HB3 . . 3.970 2.862 2.517 3.088 . 0 0 "[ . 1 . 2]" 1
1168 1 48 LEU MD1 1 73 LEU H . . 3.790 3.728 3.512 3.800 0.010 9 0 "[ . 1 . 2]" 1
1169 1 48 LEU MD1 1 73 LEU HB3 . . 3.510 2.544 2.254 2.775 . 0 0 "[ . 1 . 2]" 1
1170 1 48 LEU MD1 1 99 LEU MD1 . . 5.290 5.017 4.809 5.153 . 0 0 "[ . 1 . 2]" 1
1171 1 48 LEU MD1 1 99 LEU MD2 . . 3.380 3.279 3.103 3.388 0.008 7 0 "[ . 1 . 2]" 1
1172 1 48 LEU MD2 1 51 ASP H . . 5.010 4.733 4.525 4.900 . 0 0 "[ . 1 . 2]" 1
1173 1 48 LEU MD2 1 51 ASP QB . . 3.610 3.321 3.153 3.467 . 0 0 "[ . 1 . 2]" 1
1174 1 48 LEU MD2 1 65 TYR QE . . 4.950 4.818 4.437 4.942 . 0 0 "[ . 1 . 2]" 1
1175 1 48 LEU MD2 1 69 MET ME . . 3.390 3.088 2.861 3.239 . 0 0 "[ . 1 . 2]" 1
1176 1 48 LEU MD2 1 69 MET HG3 . . 4.570 3.709 2.731 4.587 0.017 6 0 "[ . 1 . 2]" 1
1177 1 48 LEU MD2 1 72 LYS HD3 . . 3.620 3.359 3.001 3.612 . 0 0 "[ . 1 . 2]" 1
1178 1 48 LEU MD2 1 72 LYS QG . . 5.330 4.710 4.367 4.991 . 0 0 "[ . 1 . 2]" 1
1179 1 49 ALA H 1 49 ALA MB . . 2.970 2.183 2.027 2.259 . 0 0 "[ . 1 . 2]" 1
1180 1 49 ALA H 1 50 ARG H . . 3.470 2.954 2.777 3.079 . 0 0 "[ . 1 . 2]" 1
1181 1 49 ALA H 1 51 ASP H . . 4.900 4.535 4.360 4.634 . 0 0 "[ . 1 . 2]" 1
1182 1 49 ALA H 1 52 CYS HB2 . . 5.500 5.403 5.140 5.501 0.001 4 0 "[ . 1 . 2]" 1
1183 1 49 ALA H 1 69 MET ME . . 3.890 3.403 3.114 3.698 . 0 0 "[ . 1 . 2]" 1
1184 1 49 ALA H 1 99 LEU MD1 . . 4.200 3.620 3.479 3.888 . 0 0 "[ . 1 . 2]" 1
1185 1 49 ALA H 1 99 LEU MD2 . . 3.790 3.347 2.977 3.661 . 0 0 "[ . 1 . 2]" 1
1186 1 49 ALA HA 1 52 CYS H . . 3.810 3.536 3.374 3.650 . 0 0 "[ . 1 . 2]" 1
1187 1 49 ALA HA 1 52 CYS HB2 . . 3.740 3.039 2.732 3.134 . 0 0 "[ . 1 . 2]" 1
1188 1 49 ALA HA 1 52 CYS HB3 . . 3.980 3.570 3.332 3.795 . 0 0 "[ . 1 . 2]" 1
1189 1 49 ALA HA 1 69 MET ME . . 3.160 2.463 2.239 2.664 . 0 0 "[ . 1 . 2]" 1
1190 1 49 ALA HA 1 99 LEU MD1 . . 3.970 2.314 2.110 2.482 . 0 0 "[ . 1 . 2]" 1
1191 1 49 ALA HA 1 99 LEU MD2 . . 4.000 3.510 3.311 3.729 . 0 0 "[ . 1 . 2]" 1
1192 1 49 ALA HA 1 103 ILE MG . . 4.520 3.943 3.758 4.110 . 0 0 "[ . 1 . 2]" 1
1193 1 49 ALA MB 1 50 ARG H . . 3.430 2.475 2.389 2.577 . 0 0 "[ . 1 . 2]" 1
1194 1 49 ALA MB 1 50 ARG HA . . 3.820 3.736 3.643 3.780 . 0 0 "[ . 1 . 2]" 1
1195 1 49 ALA MB 1 50 ARG HB2 . . 4.750 4.664 4.522 4.780 0.030 7 0 "[ . 1 . 2]" 1
1196 1 49 ALA MB 1 50 ARG QD . . 5.250 4.673 3.947 5.241 . 0 0 "[ . 1 . 2]" 1
1197 1 49 ALA MB 1 50 ARG QG . . 3.970 3.357 3.196 3.542 . 0 0 "[ . 1 . 2]" 1
1198 1 49 ALA MB 1 51 ASP H . . 4.650 4.621 4.525 4.654 0.004 4 0 "[ . 1 . 2]" 1
1199 1 49 ALA MB 1 52 CYS H . . 4.790 4.627 4.454 4.767 . 0 0 "[ . 1 . 2]" 1
1200 1 49 ALA MB 1 52 CYS HB2 . . 4.530 4.428 4.151 4.529 . 0 0 "[ . 1 . 2]" 1
1201 1 49 ALA MB 1 52 CYS HB3 . . 4.720 4.322 4.098 4.521 . 0 0 "[ . 1 . 2]" 1
1202 1 49 ALA MB 1 69 MET ME . . 4.270 3.566 3.453 3.672 . 0 0 "[ . 1 . 2]" 1
1203 1 49 ALA MB 1 99 LEU MD1 . . 3.210 2.025 1.886 2.261 . 0 0 "[ . 1 . 2]" 1
1204 1 49 ALA MB 1 99 LEU MD2 . . 3.270 2.959 2.607 3.163 . 0 0 "[ . 1 . 2]" 1
1205 1 49 ALA MB 1 102 ILE MD . . 4.360 4.202 3.977 4.349 . 0 0 "[ . 1 . 2]" 1
1206 1 50 ARG H 1 50 ARG HB2 . . 3.640 2.572 2.466 2.663 . 0 0 "[ . 1 . 2]" 1
1207 1 50 ARG H 1 50 ARG HB3 . . 3.700 3.594 3.585 3.600 . 0 0 "[ . 1 . 2]" 1
1208 1 50 ARG H 1 50 ARG QD . . 4.630 3.720 3.379 4.340 . 0 0 "[ . 1 . 2]" 1
1209 1 50 ARG H 1 50 ARG HG2 . . 4.310 2.823 1.904 3.551 . 0 0 "[ . 1 . 2]" 1
1210 1 50 ARG H 1 50 ARG QG . . 3.670 2.083 1.890 2.395 . 0 0 "[ . 1 . 2]" 1
1211 1 50 ARG H 1 50 ARG HG3 . . 4.310 2.565 1.991 3.442 . 0 0 "[ . 1 . 2]" 1
1212 1 50 ARG H 1 51 ASP H . . 3.580 2.953 2.900 2.986 . 0 0 "[ . 1 . 2]" 1
1213 1 50 ARG H 1 51 ASP HA . . 5.500 5.488 5.451 5.510 0.010 15 0 "[ . 1 . 2]" 1
1214 1 50 ARG H 1 51 ASP QB . . 4.730 4.666 4.581 4.728 . 0 0 "[ . 1 . 2]" 1
1215 1 50 ARG H 1 52 CYS H . . 4.710 4.442 4.275 4.567 . 0 0 "[ . 1 . 2]" 1
1216 1 50 ARG HA 1 50 ARG HG2 . . 3.960 2.646 2.294 2.962 . 0 0 "[ . 1 . 2]" 1
1217 1 50 ARG HA 1 50 ARG QG . . 3.360 2.529 2.255 2.862 . 0 0 "[ . 1 . 2]" 1
1218 1 50 ARG HA 1 50 ARG HG3 . . 3.960 3.327 2.831 3.837 . 0 0 "[ . 1 . 2]" 1
1219 1 50 ARG HA 1 53 LEU MD1 . . 3.600 2.829 2.437 3.070 . 0 0 "[ . 1 . 2]" 1
1220 1 50 ARG HA 1 54 ALA H . . 4.620 4.538 4.438 4.624 0.004 13 0 "[ . 1 . 2]" 1
1221 1 50 ARG HB2 1 50 ARG QD . . 3.810 2.811 2.119 3.499 . 0 0 "[ . 1 . 2]" 1
1222 1 50 ARG HB2 1 51 ASP H . . 4.060 2.391 2.325 2.524 . 0 0 "[ . 1 . 2]" 1
1223 1 50 ARG HB2 1 51 ASP HA . . 4.960 4.219 4.108 4.332 . 0 0 "[ . 1 . 2]" 1
1224 1 50 ARG HB2 1 51 ASP QB . . 5.180 4.329 3.949 4.537 . 0 0 "[ . 1 . 2]" 1
1225 1 50 ARG HB3 1 50 ARG QD . . 3.220 2.530 2.127 2.991 . 0 0 "[ . 1 . 2]" 1
1226 1 50 ARG HB3 1 51 ASP H . . 3.730 3.437 3.286 3.564 . 0 0 "[ . 1 . 2]" 1
1227 1 50 ARG HB3 1 51 ASP QB . . 5.500 5.234 4.865 5.450 . 0 0 "[ . 1 . 2]" 1
1228 1 50 ARG QD 1 51 ASP H . . 5.130 4.733 4.207 5.131 0.001 3 0 "[ . 1 . 2]" 1
1229 1 50 ARG HG2 1 51 ASP H . . 5.260 4.657 4.166 5.014 . 0 0 "[ . 1 . 2]" 1
1230 1 50 ARG HG3 1 51 ASP H . . 5.260 4.373 4.157 4.667 . 0 0 "[ . 1 . 2]" 1
1231 1 51 ASP H 1 51 ASP QB . . 3.230 2.246 2.127 2.325 . 0 0 "[ . 1 . 2]" 1
1232 1 51 ASP H 1 52 CYS H . . 3.360 2.908 2.786 2.988 . 0 0 "[ . 1 . 2]" 1
1233 1 51 ASP H 1 52 CYS HB2 . . 5.190 4.929 4.771 5.075 . 0 0 "[ . 1 . 2]" 1
1234 1 51 ASP H 1 52 CYS HB3 . . 5.450 5.379 5.165 5.460 0.010 19 0 "[ . 1 . 2]" 1
1235 1 51 ASP H 1 69 MET ME . . 4.960 4.657 4.509 4.825 . 0 0 "[ . 1 . 2]" 1
1236 1 51 ASP HA 1 52 CYS HA . . 5.190 4.879 4.853 4.910 . 0 0 "[ . 1 . 2]" 1
1237 1 51 ASP HA 1 54 ALA H . . 3.980 3.768 3.641 3.941 . 0 0 "[ . 1 . 2]" 1
1238 1 51 ASP HA 1 54 ALA MB . . 3.230 2.824 2.592 3.160 . 0 0 "[ . 1 . 2]" 1
1239 1 51 ASP HA 1 55 LYS H . . 4.890 4.410 4.238 4.585 . 0 0 "[ . 1 . 2]" 1
1240 1 51 ASP HA 1 55 LYS HG2 . . 5.130 4.097 3.932 4.321 . 0 0 "[ . 1 . 2]" 1
1241 1 51 ASP QB 1 52 CYS H . . 3.230 2.478 2.233 2.662 . 0 0 "[ . 1 . 2]" 1
1242 1 51 ASP QB 1 52 CYS HA . . 4.530 3.797 3.751 3.924 . 0 0 "[ . 1 . 2]" 1
1243 1 51 ASP QB 1 53 LEU H . . 5.500 4.912 4.722 5.057 . 0 0 "[ . 1 . 2]" 1
1244 1 51 ASP QB 1 54 ALA MB . . 4.510 4.364 4.136 4.524 0.014 11 0 "[ . 1 . 2]" 1
1245 1 51 ASP QB 1 55 LYS HG2 . . 4.670 3.865 3.527 4.454 . 0 0 "[ . 1 . 2]" 1
1246 1 51 ASP QB 1 55 LYS HG3 . . 4.270 3.610 3.254 4.166 . 0 0 "[ . 1 . 2]" 1
1247 1 51 ASP QB 1 65 TYR QE . . 4.740 3.802 3.550 4.184 . 0 0 "[ . 1 . 2]" 1
1248 1 51 ASP QB 1 69 MET ME . . 3.880 3.720 3.521 3.892 0.012 2 0 "[ . 1 . 2]" 1
1249 1 52 CYS H 1 52 CYS HB2 . . 3.230 2.225 2.174 2.366 . 0 0 "[ . 1 . 2]" 1
1250 1 52 CYS H 1 52 CYS HB3 . . 3.210 2.908 2.723 3.000 . 0 0 "[ . 1 . 2]" 1
1251 1 52 CYS H 1 65 TYR QE . . 4.590 4.240 4.045 4.428 . 0 0 "[ . 1 . 2]" 1
1252 1 52 CYS H 1 69 MET ME . . 3.780 3.179 2.985 3.315 . 0 0 "[ . 1 . 2]" 1
1253 1 52 CYS H 1 99 LEU MD1 . . 5.420 5.092 4.828 5.284 . 0 0 "[ . 1 . 2]" 1
1254 1 52 CYS HA 1 55 LYS H . . 4.160 3.504 3.378 3.625 . 0 0 "[ . 1 . 2]" 1
1255 1 52 CYS HA 1 55 LYS HB2 . . 3.770 2.674 2.496 2.814 . 0 0 "[ . 1 . 2]" 1
1256 1 52 CYS HA 1 55 LYS HB3 . . 4.700 4.179 4.018 4.301 . 0 0 "[ . 1 . 2]" 1
1257 1 52 CYS HA 1 55 LYS QD . . 4.890 4.626 4.424 4.796 . 0 0 "[ . 1 . 2]" 1
1258 1 52 CYS HA 1 55 LYS HG2 . . 4.240 3.613 3.398 3.781 . 0 0 "[ . 1 . 2]" 1
1259 1 52 CYS HA 1 55 LYS HG3 . . 4.890 2.664 2.449 2.860 . 0 0 "[ . 1 . 2]" 1
1260 1 52 CYS HA 1 61 VAL HB . . 5.500 5.282 4.949 5.427 . 0 0 "[ . 1 . 2]" 1
1261 1 52 CYS HA 1 61 VAL MG1 . . 3.720 2.776 2.619 2.910 . 0 0 "[ . 1 . 2]" 1
1262 1 52 CYS HA 1 65 TYR QD . . 4.700 4.544 4.306 4.704 0.004 20 0 "[ . 1 . 2]" 1
1263 1 52 CYS HA 1 65 TYR QE . . 3.600 2.350 2.002 2.569 . 0 0 "[ . 1 . 2]" 1
1264 1 52 CYS HA 1 66 PHE QE . . 5.040 4.653 4.317 4.979 . 0 0 "[ . 1 . 2]" 1
1265 1 52 CYS HA 1 69 MET ME . . 4.150 4.025 3.682 4.156 0.006 14 0 "[ . 1 . 2]" 1
1266 1 52 CYS HA 1 103 ILE MG . . 5.280 4.792 4.576 5.004 . 0 0 "[ . 1 . 2]" 1
1267 1 52 CYS HB2 1 53 LEU H . . 3.630 3.448 3.346 3.637 0.007 6 0 "[ . 1 . 2]" 1
1268 1 52 CYS HB2 1 53 LEU HG . . 5.330 5.183 4.913 5.337 0.007 10 0 "[ . 1 . 2]" 1
1269 1 52 CYS HB2 1 65 TYR QE . . 4.300 3.433 3.246 3.655 . 0 0 "[ . 1 . 2]" 1
1270 1 52 CYS HB2 1 69 MET ME . . 3.480 2.170 1.979 2.479 . 0 0 "[ . 1 . 2]" 1
1271 1 52 CYS HB2 1 103 ILE MG . . 4.550 3.177 3.017 3.350 . 0 0 "[ . 1 . 2]" 1
1272 1 52 CYS HB3 1 53 LEU H . . 3.360 2.202 2.028 2.473 . 0 0 "[ . 1 . 2]" 1
1273 1 52 CYS HB3 1 53 LEU HA . . 5.090 3.887 3.809 4.075 . 0 0 "[ . 1 . 2]" 1
1274 1 52 CYS HB3 1 53 LEU HG . . 4.140 3.566 3.335 3.794 . 0 0 "[ . 1 . 2]" 1
1275 1 52 CYS HB3 1 65 TYR QE . . 4.770 4.432 4.168 4.630 . 0 0 "[ . 1 . 2]" 1
1276 1 52 CYS HB3 1 69 MET ME . . 3.870 3.596 3.342 3.871 0.001 11 0 "[ . 1 . 2]" 1
1277 1 52 CYS HB3 1 99 LEU MD1 . . 4.720 4.280 4.056 4.524 . 0 0 "[ . 1 . 2]" 1
1278 1 53 LEU H 1 53 LEU HB2 . . 3.220 2.365 2.239 2.464 . 0 0 "[ . 1 . 2]" 1
1279 1 53 LEU H 1 53 LEU HB3 . . 3.770 3.571 3.526 3.592 . 0 0 "[ . 1 . 2]" 1
1280 1 53 LEU H 1 53 LEU MD2 . . 3.950 3.680 3.527 3.793 . 0 0 "[ . 1 . 2]" 1
1281 1 53 LEU H 1 53 LEU HG . . 4.440 2.520 2.317 2.752 . 0 0 "[ . 1 . 2]" 1
1282 1 53 LEU H 1 54 ALA MB . . 5.450 4.570 4.460 4.737 . 0 0 "[ . 1 . 2]" 1
1283 1 53 LEU HA 1 53 LEU MD2 . . 2.890 2.234 2.095 2.556 . 0 0 "[ . 1 . 2]" 1
1284 1 53 LEU HA 1 53 LEU HG . . 4.080 2.812 2.725 2.909 . 0 0 "[ . 1 . 2]" 1
1285 1 53 LEU HA 1 54 ALA HA . . 4.980 4.829 4.808 4.848 . 0 0 "[ . 1 . 2]" 1
1286 1 53 LEU HB2 1 53 LEU MD1 . . 3.300 2.258 2.068 2.342 . 0 0 "[ . 1 . 2]" 1
1287 1 53 LEU HB2 1 53 LEU MD2 . . 3.220 3.172 3.119 3.184 . 0 0 "[ . 1 . 2]" 1
1288 1 53 LEU HB2 1 54 ALA H . . 3.500 2.362 2.222 2.461 . 0 0 "[ . 1 . 2]" 1
1289 1 53 LEU HB3 1 53 LEU MD2 . . 3.510 2.208 2.035 2.285 . 0 0 "[ . 1 . 2]" 1
1290 1 53 LEU HB3 1 54 ALA H . . 4.240 3.007 2.861 3.119 . 0 0 "[ . 1 . 2]" 1
1291 1 53 LEU MD1 1 54 ALA H . . 4.240 4.183 3.943 4.263 0.023 7 0 "[ . 1 . 2]" 1
1292 1 53 LEU MD1 1 54 ALA HA . . 5.500 5.556 5.517 5.597 0.097 3 0 "[ . 1 . 2]" 1
1293 1 53 LEU MD2 1 54 ALA H . . 4.600 4.525 4.446 4.615 0.015 20 0 "[ . 1 . 2]" 1
1294 1 53 LEU MD2 1 54 ALA HA . . 5.500 5.334 5.142 5.519 0.019 6 0 "[ . 1 . 2]" 1
1295 1 53 LEU MD2 1 56 SER HB2 . . 5.470 4.494 3.774 5.168 . 0 0 "[ . 1 . 2]" 1
1296 1 53 LEU MD2 1 56 SER QB . . 4.670 3.968 3.621 4.576 . 0 0 "[ . 1 . 2]" 1
1297 1 53 LEU MD2 1 56 SER HB3 . . 5.470 4.710 3.857 5.392 . 0 0 "[ . 1 . 2]" 1
1298 1 53 LEU HG 1 54 ALA H . . 4.690 4.533 4.423 4.633 . 0 0 "[ . 1 . 2]" 1
1299 1 54 ALA H 1 54 ALA MB . . 2.820 2.181 2.049 2.234 . 0 0 "[ . 1 . 2]" 1
1300 1 54 ALA H 1 55 LYS H . . 3.480 2.785 2.749 2.850 . 0 0 "[ . 1 . 2]" 1
1301 1 54 ALA H 1 55 LYS HG2 . . 4.770 4.493 4.346 4.612 . 0 0 "[ . 1 . 2]" 1
1302 1 54 ALA H 1 55 LYS HG3 . . 5.500 5.519 5.498 5.533 0.033 7 0 "[ . 1 . 2]" 1
1303 1 54 ALA H 1 56 SER H . . 5.020 4.843 4.688 4.977 . 0 0 "[ . 1 . 2]" 1
1304 1 54 ALA HA 1 55 LYS HA . . 4.890 4.746 4.680 4.806 . 0 0 "[ . 1 . 2]" 1
1305 1 54 ALA HA 1 57 GLY H . . 4.660 3.926 3.697 4.110 . 0 0 "[ . 1 . 2]" 1
1306 1 54 ALA MB 1 55 LYS H . . 3.250 2.759 2.567 2.919 . 0 0 "[ . 1 . 2]" 1
1307 1 54 ALA MB 1 57 GLY H . . 5.370 4.892 4.642 5.017 . 0 0 "[ . 1 . 2]" 1
1308 1 55 LYS H 1 55 LYS HB2 . . 3.650 2.495 2.457 2.571 . 0 0 "[ . 1 . 2]" 1
1309 1 55 LYS H 1 55 LYS HB3 . . 3.670 3.601 3.587 3.624 . 0 0 "[ . 1 . 2]" 1
1310 1 55 LYS H 1 55 LYS QD . . 4.090 3.974 3.882 4.065 . 0 0 "[ . 1 . 2]" 1
1311 1 55 LYS H 1 55 LYS HG2 . . 3.700 2.300 2.104 2.461 . 0 0 "[ . 1 . 2]" 1
1312 1 55 LYS H 1 55 LYS HG3 . . 4.160 3.312 3.225 3.411 . 0 0 "[ . 1 . 2]" 1
1313 1 55 LYS H 1 56 SER H . . 3.580 2.807 2.628 2.967 . 0 0 "[ . 1 . 2]" 1
1314 1 55 LYS H 1 57 GLY H . . 4.920 3.893 3.690 4.064 . 0 0 "[ . 1 . 2]" 1
1315 1 55 LYS H 1 60 LEU MD1 . . 5.260 4.744 4.470 5.066 . 0 0 "[ . 1 . 2]" 1
1316 1 55 LYS H 1 61 VAL MG2 . . 5.500 5.463 5.030 5.541 0.041 13 0 "[ . 1 . 2]" 1
1317 1 55 LYS HA 1 55 LYS QD . . 3.560 2.503 2.442 2.576 . 0 0 "[ . 1 . 2]" 1
1318 1 55 LYS HA 1 55 LYS QE . . 5.090 4.246 3.599 4.557 . 0 0 "[ . 1 . 2]" 1
1319 1 55 LYS HA 1 55 LYS HG2 . . 3.600 2.742 2.681 2.829 . 0 0 "[ . 1 . 2]" 1
1320 1 55 LYS HA 1 55 LYS HG3 . . 3.880 3.800 3.772 3.838 . 0 0 "[ . 1 . 2]" 1
1321 1 55 LYS HA 1 56 SER HA . . 5.500 4.838 4.807 4.867 . 0 0 "[ . 1 . 2]" 1
1322 1 55 LYS HA 1 58 GLU H . . 4.630 3.551 3.495 3.696 . 0 0 "[ . 1 . 2]" 1
1323 1 55 LYS HA 1 58 GLU HB2 . . 3.970 3.824 3.702 3.912 . 0 0 "[ . 1 . 2]" 1
1324 1 55 LYS HA 1 58 GLU QG . . 3.910 3.698 3.472 3.906 . 0 0 "[ . 1 . 2]" 1
1325 1 55 LYS HA 1 60 LEU H . . 4.550 3.251 3.169 3.343 . 0 0 "[ . 1 . 2]" 1
1326 1 55 LYS HA 1 60 LEU HA . . 5.350 4.927 4.726 5.114 . 0 0 "[ . 1 . 2]" 1
1327 1 55 LYS HA 1 60 LEU HB2 . . 4.820 2.289 1.995 2.566 . 0 0 "[ . 1 . 2]" 1
1328 1 55 LYS HA 1 60 LEU HB3 . . 4.370 3.796 3.485 4.095 . 0 0 "[ . 1 . 2]" 1
1329 1 55 LYS HA 1 60 LEU MD1 . . 3.990 2.610 2.377 2.876 . 0 0 "[ . 1 . 2]" 1
1330 1 55 LYS HA 1 60 LEU MD2 . . 4.710 3.929 3.834 4.090 . 0 0 "[ . 1 . 2]" 1
1331 1 55 LYS HA 1 61 VAL MG1 . . 4.200 3.833 3.692 3.994 . 0 0 "[ . 1 . 2]" 1
1332 1 55 LYS HB2 1 56 SER H . . 3.890 2.100 2.013 2.230 . 0 0 "[ . 1 . 2]" 1
1333 1 55 LYS HB2 1 56 SER QB . . 4.860 4.141 3.759 4.543 . 0 0 "[ . 1 . 2]" 1
1334 1 55 LYS HB2 1 57 GLY H . . 5.500 4.652 4.482 4.795 . 0 0 "[ . 1 . 2]" 1
1335 1 55 LYS HB2 1 61 VAL H . . 5.190 3.695 3.403 4.590 . 0 0 "[ . 1 . 2]" 1
1336 1 55 LYS HB2 1 61 VAL HB . . 4.540 4.519 4.492 4.544 0.004 17 0 "[ . 1 . 2]" 1
1337 1 55 LYS HB2 1 61 VAL MG1 . . 3.710 1.806 1.777 1.845 . 0 0 "[ . 1 . 2]" 1
1338 1 55 LYS HB2 1 61 VAL MG2 . . 3.880 3.719 3.199 3.879 . 0 0 "[ . 1 . 2]" 1
1339 1 55 LYS HB2 1 65 TYR QE . . 4.630 3.598 3.131 3.993 . 0 0 "[ . 1 . 2]" 1
1340 1 55 LYS HB3 1 55 LYS QD . . 3.520 2.199 2.109 2.552 . 0 0 "[ . 1 . 2]" 1
1341 1 55 LYS HB3 1 56 SER H . . 4.260 3.182 3.043 3.428 . 0 0 "[ . 1 . 2]" 1
1342 1 55 LYS HB3 1 56 SER HA . . 5.060 4.264 4.193 4.412 . 0 0 "[ . 1 . 2]" 1
1343 1 55 LYS HB3 1 60 LEU H . . 4.670 3.126 2.933 3.256 . 0 0 "[ . 1 . 2]" 1
1344 1 55 LYS HB3 1 60 LEU HB2 . . 4.350 2.004 1.988 2.080 . 0 0 "[ . 1 . 2]" 1
1345 1 55 LYS HB3 1 60 LEU HB3 . . 4.150 3.615 3.504 3.686 . 0 0 "[ . 1 . 2]" 1
1346 1 55 LYS HB3 1 61 VAL MG1 . . 3.700 1.978 1.844 2.051 . 0 0 "[ . 1 . 2]" 1
1347 1 55 LYS HB3 1 61 VAL MG2 . . 3.860 3.616 3.252 3.817 . 0 0 "[ . 1 . 2]" 1
1348 1 55 LYS QD 1 56 SER H . . 5.430 4.766 4.679 4.990 . 0 0 "[ . 1 . 2]" 1
1349 1 55 LYS QD 1 58 GLU HB2 . . 5.230 5.150 5.054 5.238 0.008 14 0 "[ . 1 . 2]" 1
1350 1 55 LYS QD 1 60 LEU H . . 5.050 4.145 4.093 4.390 . 0 0 "[ . 1 . 2]" 1
1351 1 55 LYS QD 1 60 LEU MD1 . . 3.710 2.156 1.991 2.365 . 0 0 "[ . 1 . 2]" 1
1352 1 55 LYS QD 1 61 VAL MG1 . . 4.590 3.067 2.880 3.681 . 0 0 "[ . 1 . 2]" 1
1353 1 55 LYS QD 1 65 TYR QD . . 5.310 4.102 3.902 4.637 . 0 0 "[ . 1 . 2]" 1
1354 1 55 LYS QD 1 65 TYR QE . . 4.330 3.647 3.076 4.021 . 0 0 "[ . 1 . 2]" 1
1355 1 55 LYS QE 1 55 LYS HG3 . . 3.580 2.412 2.228 3.106 . 0 0 "[ . 1 . 2]" 1
1356 1 55 LYS QE 1 60 LEU MD1 . . 4.290 3.546 3.076 3.857 . 0 0 "[ . 1 . 2]" 1
1357 1 55 LYS QE 1 61 VAL MG1 . . 4.910 4.061 2.419 4.707 . 0 0 "[ . 1 . 2]" 1
1358 1 55 LYS QE 1 65 TYR QD . . 5.340 3.832 3.115 5.018 . 0 0 "[ . 1 . 2]" 1
1359 1 55 LYS QE 1 65 TYR QE . . 3.800 2.500 1.982 3.809 0.009 17 0 "[ . 1 . 2]" 1
1360 1 55 LYS HG2 1 56 SER H . . 4.820 4.231 4.127 4.296 . 0 0 "[ . 1 . 2]" 1
1361 1 55 LYS HG2 1 60 LEU H . . 5.500 5.512 5.497 5.548 0.048 13 0 "[ . 1 . 2]" 1
1362 1 55 LYS HG2 1 61 VAL MG1 . . 4.420 3.726 3.641 3.778 . 0 0 "[ . 1 . 2]" 1
1363 1 55 LYS HG2 1 65 TYR QE . . 4.880 4.390 4.100 4.605 . 0 0 "[ . 1 . 2]" 1
1364 1 55 LYS HG3 1 61 VAL HB . . 5.500 5.473 5.424 5.513 0.013 5 0 "[ . 1 . 2]" 1
1365 1 55 LYS HG3 1 61 VAL MG1 . . 4.970 2.719 2.580 2.810 . 0 0 "[ . 1 . 2]" 1
1366 1 55 LYS HG3 1 65 TYR QE . . 4.500 3.037 2.582 3.292 . 0 0 "[ . 1 . 2]" 1
1367 1 56 SER H 1 56 SER HB2 . . 3.760 2.707 2.205 3.603 . 0 0 "[ . 1 . 2]" 1
1368 1 56 SER H 1 56 SER HB3 . . 3.760 3.119 2.463 3.606 . 0 0 "[ . 1 . 2]" 1
1369 1 56 SER H 1 57 GLY H . . 3.740 2.876 2.791 2.967 . 0 0 "[ . 1 . 2]" 1
1370 1 56 SER H 1 58 GLU H . . 4.920 4.369 4.184 4.484 . 0 0 "[ . 1 . 2]" 1
1371 1 56 SER H 1 61 VAL MG1 . . 4.350 2.192 1.979 2.595 . 0 0 "[ . 1 . 2]" 1
1372 1 56 SER H 1 61 VAL MG2 . . 4.190 3.278 2.927 3.472 . 0 0 "[ . 1 . 2]" 1
1373 1 56 SER HA 1 59 ASN H . . 4.250 3.099 2.849 3.280 . 0 0 "[ . 1 . 2]" 1
1374 1 56 SER HA 1 60 LEU H . . 4.420 3.317 3.189 3.472 . 0 0 "[ . 1 . 2]" 1
1375 1 56 SER HA 1 60 LEU MD2 . . 5.500 5.496 5.456 5.510 0.010 7 0 "[ . 1 . 2]" 1
1376 1 56 SER HA 1 61 VAL H . . 4.400 3.237 3.055 3.485 . 0 0 "[ . 1 . 2]" 1
1377 1 56 SER HA 1 61 VAL HB . . 5.500 4.905 4.682 5.099 . 0 0 "[ . 1 . 2]" 1
1378 1 56 SER HA 1 61 VAL MG1 . . 4.070 2.946 2.742 3.586 . 0 0 "[ . 1 . 2]" 1
1379 1 56 SER HA 1 61 VAL MG2 . . 3.290 2.158 1.973 2.321 . 0 0 "[ . 1 . 2]" 1
1380 1 56 SER HA 1 66 PHE HZ . . 5.500 5.422 5.148 5.515 0.015 15 0 "[ . 1 . 2]" 1
1381 1 56 SER QB 1 57 GLY H . . 3.890 2.761 2.468 3.433 . 0 0 "[ . 1 . 2]" 1
1382 1 56 SER QB 1 61 VAL MG1 . . 4.180 3.153 2.543 3.757 . 0 0 "[ . 1 . 2]" 1
1383 1 56 SER QB 1 61 VAL MG2 . . 3.670 2.861 2.305 3.529 . 0 0 "[ . 1 . 2]" 1
1384 1 56 SER HB2 1 57 GLY H . . 4.490 3.242 2.507 4.005 . 0 0 "[ . 1 . 2]" 1
1385 1 56 SER HB2 1 61 VAL MG1 . . 4.820 3.602 2.579 4.671 . 0 0 "[ . 1 . 2]" 1
1386 1 56 SER HB2 1 61 VAL MG2 . . 4.490 3.424 2.326 4.210 . 0 0 "[ . 1 . 2]" 1
1387 1 56 SER HB3 1 57 GLY H . . 4.490 3.402 2.570 4.085 . 0 0 "[ . 1 . 2]" 1
1388 1 56 SER HB3 1 61 VAL MG1 . . 4.820 3.876 2.730 4.530 . 0 0 "[ . 1 . 2]" 1
1389 1 56 SER HB3 1 61 VAL MG2 . . 4.490 3.430 2.396 4.157 . 0 0 "[ . 1 . 2]" 1
1390 1 57 GLY H 1 58 GLU H . . 3.680 2.780 2.626 2.914 . 0 0 "[ . 1 . 2]" 1
1391 1 57 GLY H 1 59 ASN H . . 4.540 3.830 3.752 3.937 . 0 0 "[ . 1 . 2]" 1
1392 1 57 GLY QA 1 58 GLU QG . . 5.180 3.507 3.208 3.683 . 0 0 "[ . 1 . 2]" 1
1393 1 58 GLU H 1 58 GLU HB2 . . 3.500 2.796 2.724 2.899 . 0 0 "[ . 1 . 2]" 1
1394 1 58 GLU H 1 58 GLU HB3 . . 4.120 3.734 3.687 3.800 . 0 0 "[ . 1 . 2]" 1
1395 1 58 GLU H 1 58 GLU HG2 . . 4.040 2.542 2.277 3.023 . 0 0 "[ . 1 . 2]" 1
1396 1 58 GLU H 1 58 GLU QG . . 3.320 2.381 2.260 2.510 . 0 0 "[ . 1 . 2]" 1
1397 1 58 GLU H 1 58 GLU HG3 . . 4.040 3.496 2.446 3.982 . 0 0 "[ . 1 . 2]" 1
1398 1 58 GLU H 1 59 ASN H . . 3.410 2.257 1.984 2.422 . 0 0 "[ . 1 . 2]" 1
1399 1 58 GLU H 1 59 ASN HA . . 4.560 4.425 4.217 4.522 . 0 0 "[ . 1 . 2]" 1
1400 1 58 GLU H 1 60 LEU MD1 . . 5.470 4.378 4.173 4.551 . 0 0 "[ . 1 . 2]" 1
1401 1 58 GLU H 1 60 LEU MD2 . . 5.500 3.988 3.913 4.102 . 0 0 "[ . 1 . 2]" 1
1402 1 58 GLU H 1 60 LEU HG . . 4.650 3.247 3.076 3.426 . 0 0 "[ . 1 . 2]" 1
1403 1 58 GLU HA 1 58 GLU HG2 . . 3.830 3.252 2.623 3.543 . 0 0 "[ . 1 . 2]" 1
1404 1 58 GLU HA 1 58 GLU QG . . 3.330 3.048 2.564 3.260 . 0 0 "[ . 1 . 2]" 1
1405 1 58 GLU HA 1 58 GLU HG3 . . 3.830 3.761 3.621 3.833 0.003 3 0 "[ . 1 . 2]" 1
1406 1 58 GLU HB2 1 59 ASN H . . 4.470 3.696 3.543 3.924 . 0 0 "[ . 1 . 2]" 1
1407 1 58 GLU HB2 1 60 LEU H . . 4.320 3.746 3.516 3.906 . 0 0 "[ . 1 . 2]" 1
1408 1 58 GLU HB2 1 60 LEU HB2 . . 4.590 4.370 4.302 4.484 . 0 0 "[ . 1 . 2]" 1
1409 1 58 GLU HB2 1 60 LEU HB3 . . 4.790 4.760 4.704 4.790 . 0 0 "[ . 1 . 2]" 1
1410 1 58 GLU HB2 1 60 LEU MD2 . . 3.720 1.970 1.918 2.123 . 0 0 "[ . 1 . 2]" 1
1411 1 58 GLU HB3 1 59 ASN H . . 4.880 4.478 4.412 4.547 . 0 0 "[ . 1 . 2]" 1
1412 1 58 GLU HB3 1 60 LEU H . . 5.500 5.195 5.036 5.354 . 0 0 "[ . 1 . 2]" 1
1413 1 58 GLU HB3 1 60 LEU MD1 . . 4.000 3.796 3.670 3.965 . 0 0 "[ . 1 . 2]" 1
1414 1 58 GLU HB3 1 60 LEU MD2 . . 3.710 2.659 2.461 2.764 . 0 0 "[ . 1 . 2]" 1
1415 1 58 GLU HB3 1 60 LEU HG . . 3.980 3.779 3.718 3.855 . 0 0 "[ . 1 . 2]" 1
1416 1 58 GLU QG 1 59 ASN H . . 5.020 4.229 3.997 4.418 . 0 0 "[ . 1 . 2]" 1
1417 1 58 GLU QG 1 60 LEU H . . 5.340 4.794 4.500 4.959 . 0 0 "[ . 1 . 2]" 1
1418 1 58 GLU QG 1 60 LEU HB2 . . 5.340 5.110 4.920 5.277 . 0 0 "[ . 1 . 2]" 1
1419 1 58 GLU QG 1 60 LEU MD1 . . 3.930 3.121 2.929 3.405 . 0 0 "[ . 1 . 2]" 1
1420 1 58 GLU QG 1 60 LEU MD2 . . 4.490 3.483 3.330 3.686 . 0 0 "[ . 1 . 2]" 1
1421 1 58 GLU QG 1 60 LEU HG . . 4.150 3.223 3.023 3.344 . 0 0 "[ . 1 . 2]" 1
1422 1 58 GLU HG2 1 60 LEU MD2 . . 5.230 4.119 3.885 4.512 . 0 0 "[ . 1 . 2]" 1
1423 1 58 GLU HG2 1 60 LEU HG . . 4.770 3.754 3.246 4.622 . 0 0 "[ . 1 . 2]" 1
1424 1 58 GLU HG3 1 60 LEU MD2 . . 5.230 3.767 3.623 3.909 . 0 0 "[ . 1 . 2]" 1
1425 1 58 GLU HG3 1 60 LEU HG . . 4.770 3.813 3.076 4.210 . 0 0 "[ . 1 . 2]" 1
1426 1 59 ASN H 1 59 ASN HB2 . . 4.080 3.287 3.109 3.725 . 0 0 "[ . 1 . 2]" 1
1427 1 59 ASN H 1 59 ASN QB . . 3.550 3.120 2.968 3.444 . 0 0 "[ . 1 . 2]" 1
1428 1 59 ASN H 1 59 ASN HB3 . . 4.080 3.898 3.714 4.105 0.025 4 0 "[ . 1 . 2]" 1
1429 1 59 ASN H 1 59 ASN QD . . 5.110 4.425 3.493 5.111 0.001 17 0 "[ . 1 . 2]" 1
1430 1 59 ASN H 1 60 LEU MD2 . . 5.140 3.756 3.543 3.864 . 0 0 "[ . 1 . 2]" 1
1431 1 59 ASN H 1 60 LEU HG . . 5.220 3.851 3.620 4.050 . 0 0 "[ . 1 . 2]" 1
1432 1 59 ASN HA 1 60 LEU H . . 3.470 2.713 2.644 2.802 . 0 0 "[ . 1 . 2]" 1
1433 1 59 ASN HA 1 61 VAL MG2 . . 4.370 3.204 3.098 3.333 . 0 0 "[ . 1 . 2]" 1
1434 1 59 ASN QB 1 60 LEU H . . 4.150 3.916 3.869 3.951 . 0 0 "[ . 1 . 2]" 1
1435 1 59 ASN HB2 1 60 LEU H . . 4.720 4.500 4.283 4.620 . 0 0 "[ . 1 . 2]" 1
1436 1 59 ASN HB2 1 60 LEU MD2 . . 4.980 4.087 3.347 4.579 . 0 0 "[ . 1 . 2]" 1
1437 1 59 ASN HB3 1 60 LEU H . . 4.720 4.320 4.204 4.481 . 0 0 "[ . 1 . 2]" 1
1438 1 59 ASN HB3 1 60 LEU MD2 . . 4.980 3.751 3.388 4.493 . 0 0 "[ . 1 . 2]" 1
1439 1 60 LEU H 1 60 LEU HB2 . . 4.070 2.667 2.576 2.776 . 0 0 "[ . 1 . 2]" 1
1440 1 60 LEU H 1 60 LEU HB3 . . 3.690 3.685 3.652 3.725 0.035 2 0 "[ . 1 . 2]" 1
1441 1 60 LEU H 1 60 LEU MD1 . . 4.170 3.989 3.910 4.051 . 0 0 "[ . 1 . 2]" 1
1442 1 60 LEU H 1 60 LEU MD2 . . 3.810 2.711 2.608 2.812 . 0 0 "[ . 1 . 2]" 1
1443 1 60 LEU H 1 60 LEU HG . . 3.510 2.509 2.386 2.616 . 0 0 "[ . 1 . 2]" 1
1444 1 60 LEU H 1 61 VAL H . . 3.510 2.165 2.067 2.414 . 0 0 "[ . 1 . 2]" 1
1445 1 60 LEU H 1 61 VAL MG1 . . 4.660 3.720 3.321 3.877 . 0 0 "[ . 1 . 2]" 1
1446 1 60 LEU H 1 61 VAL MG2 . . 4.380 3.380 2.965 3.578 . 0 0 "[ . 1 . 2]" 1
1447 1 60 LEU HA 1 60 LEU MD1 . . 4.000 3.733 3.636 3.837 . 0 0 "[ . 1 . 2]" 1
1448 1 60 LEU HA 1 60 LEU MD2 . . 2.820 2.166 2.065 2.274 . 0 0 "[ . 1 . 2]" 1
1449 1 60 LEU HA 1 60 LEU HG . . 4.160 3.547 3.518 3.578 . 0 0 "[ . 1 . 2]" 1
1450 1 60 LEU HA 1 62 THR MG . . 4.340 3.872 3.495 4.163 . 0 0 "[ . 1 . 2]" 1
1451 1 60 LEU HB2 1 60 LEU MD1 . . 3.220 2.519 2.387 2.607 . 0 0 "[ . 1 . 2]" 1
1452 1 60 LEU HB2 1 61 VAL H . . 5.140 3.095 2.741 3.785 . 0 0 "[ . 1 . 2]" 1
1453 1 60 LEU HB2 1 61 VAL MG1 . . 4.230 3.565 3.322 3.643 . 0 0 "[ . 1 . 2]" 1
1454 1 60 LEU HB3 1 60 LEU MD1 . . 3.220 2.174 2.050 2.276 . 0 0 "[ . 1 . 2]" 1
1455 1 60 LEU HB3 1 60 LEU MD2 . . 3.480 2.558 2.481 2.640 . 0 0 "[ . 1 . 2]" 1
1456 1 60 LEU HB3 1 61 VAL H . . 4.970 4.148 3.922 4.480 . 0 0 "[ . 1 . 2]" 1
1457 1 60 LEU MD1 1 61 VAL MG1 . . 5.020 4.995 4.810 5.033 0.013 17 0 "[ . 1 . 2]" 1
1458 1 60 LEU MD2 1 61 VAL H . . 4.790 4.214 4.172 4.263 . 0 0 "[ . 1 . 2]" 1
1459 1 60 LEU MD2 1 62 THR MG . . 5.500 5.019 4.686 5.240 . 0 0 "[ . 1 . 2]" 1
1460 1 60 LEU HG 1 61 VAL H . . 5.500 4.260 4.107 4.678 . 0 0 "[ . 1 . 2]" 1
1461 1 61 VAL H 1 61 VAL HB . . 4.070 3.627 3.608 3.781 . 0 0 "[ . 1 . 2]" 1
1462 1 61 VAL H 1 61 VAL MG1 . . 3.610 2.510 2.296 3.003 . 0 0 "[ . 1 . 2]" 1
1463 1 61 VAL H 1 61 VAL MG2 . . 3.190 2.005 1.869 2.233 . 0 0 "[ . 1 . 2]" 1
1464 1 61 VAL H 1 62 THR H . . 4.670 4.478 4.284 4.573 . 0 0 "[ . 1 . 2]" 1
1465 1 61 VAL HA 1 61 VAL MG1 . . 3.400 2.213 2.181 2.301 . 0 0 "[ . 1 . 2]" 1
1466 1 61 VAL HA 1 61 VAL MG2 . . 3.600 3.191 3.182 3.202 . 0 0 "[ . 1 . 2]" 1
1467 1 61 VAL HA 1 62 THR H . . 3.290 2.148 2.139 2.171 . 0 0 "[ . 1 . 2]" 1
1468 1 61 VAL HA 1 62 THR MG . . 4.220 3.801 3.665 3.959 . 0 0 "[ . 1 . 2]" 1
1469 1 61 VAL HA 1 65 TYR H . . 5.470 5.034 4.639 5.159 . 0 0 "[ . 1 . 2]" 1
1470 1 61 VAL HA 1 65 TYR HB2 . . 4.310 3.053 2.740 3.150 . 0 0 "[ . 1 . 2]" 1
1471 1 61 VAL HA 1 65 TYR HB3 . . 4.220 2.967 2.573 3.130 . 0 0 "[ . 1 . 2]" 1
1472 1 61 VAL HA 1 65 TYR QD . . 4.370 2.890 2.382 3.216 . 0 0 "[ . 1 . 2]" 1
1473 1 61 VAL HA 1 66 PHE H . . 5.500 5.112 4.847 5.325 . 0 0 "[ . 1 . 2]" 1
1474 1 61 VAL HB 1 62 THR H . . 3.990 3.373 3.113 3.674 . 0 0 "[ . 1 . 2]" 1
1475 1 61 VAL HB 1 62 THR MG . . 5.020 4.989 4.914 5.024 0.004 7 0 "[ . 1 . 2]" 1
1476 1 61 VAL HB 1 65 TYR HB2 . . 4.920 4.595 4.473 4.707 . 0 0 "[ . 1 . 2]" 1
1477 1 61 VAL HB 1 65 TYR HB3 . . 4.840 3.450 3.286 3.588 . 0 0 "[ . 1 . 2]" 1
1478 1 61 VAL HB 1 65 TYR QD . . 4.260 2.509 2.265 3.069 . 0 0 "[ . 1 . 2]" 1
1479 1 61 VAL HB 1 65 TYR QE . . 4.430 3.905 3.679 4.390 . 0 0 "[ . 1 . 2]" 1
1480 1 61 VAL HB 1 66 PHE QD . . 4.940 4.129 3.981 4.251 . 0 0 "[ . 1 . 2]" 1
1481 1 61 VAL HB 1 66 PHE QE . . 4.250 3.034 2.639 3.246 . 0 0 "[ . 1 . 2]" 1
1482 1 61 VAL HB 1 66 PHE HZ . . 4.470 2.720 2.431 3.000 . 0 0 "[ . 1 . 2]" 1
1483 1 61 VAL MG1 1 62 THR H . . 4.390 3.955 3.860 4.086 . 0 0 "[ . 1 . 2]" 1
1484 1 61 VAL MG1 1 62 THR MG . . 5.230 5.020 4.934 5.126 . 0 0 "[ . 1 . 2]" 1
1485 1 61 VAL MG1 1 65 TYR HB2 . . 4.600 4.407 4.170 4.538 . 0 0 "[ . 1 . 2]" 1
1486 1 61 VAL MG1 1 65 TYR HB3 . . 5.320 3.949 3.522 4.093 . 0 0 "[ . 1 . 2]" 1
1487 1 61 VAL MG1 1 65 TYR QD . . 3.790 2.486 2.136 2.716 . 0 0 "[ . 1 . 2]" 1
1488 1 61 VAL MG1 1 65 TYR QE . . 3.980 2.226 1.975 2.445 . 0 0 "[ . 1 . 2]" 1
1489 1 61 VAL MG1 1 66 PHE QD . . 4.630 4.223 3.955 4.477 . 0 0 "[ . 1 . 2]" 1
1490 1 61 VAL MG1 1 66 PHE QE . . 4.460 2.759 2.316 3.144 . 0 0 "[ . 1 . 2]" 1
1491 1 61 VAL MG1 1 66 PHE HZ . . 4.020 3.253 2.957 3.762 . 0 0 "[ . 1 . 2]" 1
1492 1 61 VAL MG1 1 103 ILE HB . . 5.000 4.567 4.376 4.837 . 0 0 "[ . 1 . 2]" 1
1493 1 61 VAL MG2 1 62 THR H . . 4.400 4.060 3.938 4.222 . 0 0 "[ . 1 . 2]" 1
1494 1 61 VAL MG2 1 65 TYR HB2 . . 5.500 5.456 5.312 5.513 0.013 10 0 "[ . 1 . 2]" 1
1495 1 61 VAL MG2 1 65 TYR HB3 . . 4.920 4.746 4.531 4.849 . 0 0 "[ . 1 . 2]" 1
1496 1 61 VAL MG2 1 65 TYR QD . . 4.390 4.072 3.834 4.385 . 0 0 "[ . 1 . 2]" 1
1497 1 61 VAL MG2 1 65 TYR QE . . 4.850 4.644 4.457 4.849 . 0 0 "[ . 1 . 2]" 1
1498 1 61 VAL MG2 1 66 PHE QD . . 4.910 4.677 4.431 4.869 . 0 0 "[ . 1 . 2]" 1
1499 1 61 VAL MG2 1 66 PHE QE . . 4.130 3.140 2.802 3.343 . 0 0 "[ . 1 . 2]" 1
1500 1 61 VAL MG2 1 66 PHE HZ . . 3.690 2.413 2.032 2.783 . 0 0 "[ . 1 . 2]" 1
1501 1 62 THR H 1 62 THR MG . . 3.690 2.922 2.672 3.194 . 0 0 "[ . 1 . 2]" 1
1502 1 62 THR H 1 65 TYR H . . 4.090 3.206 2.963 3.326 . 0 0 "[ . 1 . 2]" 1
1503 1 62 THR H 1 65 TYR HA . . 4.680 4.368 4.288 4.479 . 0 0 "[ . 1 . 2]" 1
1504 1 62 THR H 1 65 TYR HB2 . . 3.710 2.079 1.947 2.246 . 0 0 "[ . 1 . 2]" 1
1505 1 62 THR H 1 65 TYR HB3 . . 3.580 2.015 1.900 2.258 . 0 0 "[ . 1 . 2]" 1
1506 1 62 THR H 1 65 TYR QD . . 4.320 3.416 3.256 3.737 . 0 0 "[ . 1 . 2]" 1
1507 1 62 THR H 1 66 PHE H . . 4.520 3.941 3.719 4.216 . 0 0 "[ . 1 . 2]" 1
1508 1 62 THR HA 1 62 THR MG . . 3.200 2.359 2.254 2.441 . 0 0 "[ . 1 . 2]" 1
1509 1 62 THR MG 1 65 TYR H . . 4.610 4.426 4.210 4.572 . 0 0 "[ . 1 . 2]" 1
1510 1 62 THR MG 1 65 TYR HB2 . . 4.660 4.112 3.865 4.369 . 0 0 "[ . 1 . 2]" 1
1511 1 62 THR MG 1 65 TYR HB3 . . 4.750 4.594 4.351 4.747 . 0 0 "[ . 1 . 2]" 1
1512 1 63 SER HA 1 66 PHE H . . 4.300 4.031 3.827 4.149 . 0 0 "[ . 1 . 2]" 1
1513 1 63 SER HA 1 66 PHE HB2 . . 4.510 3.584 3.209 3.842 . 0 0 "[ . 1 . 2]" 1
1514 1 63 SER HA 1 66 PHE HB3 . . 5.500 5.244 4.839 5.472 . 0 0 "[ . 1 . 2]" 1
1515 1 63 SER HA 1 66 PHE QD . . 4.080 2.996 2.456 3.216 . 0 0 "[ . 1 . 2]" 1
1516 1 63 SER HA 1 66 PHE QE . . 4.940 4.564 4.084 4.904 . 0 0 "[ . 1 . 2]" 1
1517 1 63 SER QB 1 66 PHE QD . . 5.270 4.885 4.259 5.176 . 0 0 "[ . 1 . 2]" 1
1518 1 64 ARG HA 1 64 ARG QD . . 3.570 2.369 1.989 3.273 . 0 0 "[ . 1 . 2]" 1
1519 1 64 ARG HA 1 64 ARG HG2 . . 3.830 3.712 3.665 3.765 . 0 0 "[ . 1 . 2]" 1
1520 1 64 ARG HA 1 64 ARG HG3 . . 3.430 2.636 2.491 2.774 . 0 0 "[ . 1 . 2]" 1
1521 1 64 ARG HB3 1 65 TYR HA . . 4.100 3.930 3.837 4.049 . 0 0 "[ . 1 . 2]" 1
1522 1 64 ARG QD 1 67 LEU HB2 . . 5.080 3.671 3.223 4.361 . 0 0 "[ . 1 . 2]" 1
1523 1 64 ARG QD 1 67 LEU HB3 . . 5.110 4.309 3.749 4.768 . 0 0 "[ . 1 . 2]" 1
1524 1 64 ARG QD 1 67 LEU QD . . 4.010 3.371 2.935 3.975 . 0 0 "[ . 1 . 2]" 1
1525 1 64 ARG QD 1 68 GLU QG . . 4.950 3.364 2.684 3.996 . 0 0 "[ . 1 . 2]" 1
1526 1 64 ARG HG2 1 68 GLU H . . 5.500 5.476 5.388 5.504 0.004 8 0 "[ . 1 . 2]" 1
1527 1 64 ARG HG2 1 68 GLU QG . . 5.170 3.611 3.408 3.869 . 0 0 "[ . 1 . 2]" 1
1528 1 64 ARG HG3 1 65 TYR H . . 4.380 3.961 3.592 4.167 . 0 0 "[ . 1 . 2]" 1
1529 1 64 ARG HG3 1 65 TYR HA . . 4.580 4.265 3.890 4.553 . 0 0 "[ . 1 . 2]" 1
1530 1 64 ARG HG3 1 68 GLU H . . 4.440 3.757 3.658 3.852 . 0 0 "[ . 1 . 2]" 1
1531 1 64 ARG HG3 1 68 GLU HG2 . . 4.320 2.948 2.152 3.870 . 0 0 "[ . 1 . 2]" 1
1532 1 64 ARG HG3 1 68 GLU QG . . 3.590 2.255 2.003 2.684 . 0 0 "[ . 1 . 2]" 1
1533 1 64 ARG HG3 1 68 GLU HG3 . . 4.320 2.788 2.016 3.633 . 0 0 "[ . 1 . 2]" 1
1534 1 65 TYR H 1 65 TYR HB2 . . 3.350 2.415 2.336 2.502 . 0 0 "[ . 1 . 2]" 1
1535 1 65 TYR H 1 65 TYR HB3 . . 3.450 2.730 2.646 2.814 . 0 0 "[ . 1 . 2]" 1
1536 1 65 TYR H 1 65 TYR QD . . 4.310 4.144 4.087 4.202 . 0 0 "[ . 1 . 2]" 1
1537 1 65 TYR H 1 68 GLU H . . 5.370 4.972 4.853 5.143 . 0 0 "[ . 1 . 2]" 1
1538 1 65 TYR HA 1 65 TYR QD . . 3.610 2.471 2.174 2.783 . 0 0 "[ . 1 . 2]" 1
1539 1 65 TYR HA 1 65 TYR QE . . 4.680 4.498 4.356 4.614 . 0 0 "[ . 1 . 2]" 1
1540 1 65 TYR HA 1 68 GLU H . . 4.600 4.195 4.030 4.410 . 0 0 "[ . 1 . 2]" 1
1541 1 65 TYR HA 1 68 GLU HB2 . . 3.720 3.439 3.253 3.670 . 0 0 "[ . 1 . 2]" 1
1542 1 65 TYR HA 1 68 GLU QG . . 4.690 4.273 4.089 4.648 . 0 0 "[ . 1 . 2]" 1
1543 1 65 TYR HA 1 69 MET H . . 4.950 4.184 4.024 4.412 . 0 0 "[ . 1 . 2]" 1
1544 1 65 TYR HB3 1 66 PHE H . . 3.760 2.295 2.128 2.506 . 0 0 "[ . 1 . 2]" 1
1545 1 65 TYR HB3 1 66 PHE HB2 . . 4.920 4.576 4.451 4.757 . 0 0 "[ . 1 . 2]" 1
1546 1 65 TYR QD 1 66 PHE H . . 3.990 3.426 3.097 3.789 . 0 0 "[ . 1 . 2]" 1
1547 1 65 TYR QD 1 66 PHE HA . . 4.260 3.760 3.498 4.209 . 0 0 "[ . 1 . 2]" 1
1548 1 65 TYR QD 1 66 PHE QD . . 4.700 3.157 2.636 3.572 . 0 0 "[ . 1 . 2]" 1
1549 1 65 TYR QD 1 66 PHE QE . . 4.960 3.145 2.626 3.446 . 0 0 "[ . 1 . 2]" 1
1550 1 65 TYR QD 1 69 MET ME . . 5.480 5.108 4.793 5.349 . 0 0 "[ . 1 . 2]" 1
1551 1 65 TYR QE 1 66 PHE QE . . 4.360 3.376 2.836 4.038 . 0 0 "[ . 1 . 2]" 1
1552 1 65 TYR QE 1 69 MET ME . . 4.090 3.766 3.479 3.948 . 0 0 "[ . 1 . 2]" 1
1553 1 65 TYR QE 1 69 MET HG2 . . 5.500 5.312 4.870 5.501 0.001 20 0 "[ . 1 . 2]" 1
1554 1 65 TYR QE 1 103 ILE HB . . 5.500 4.792 4.330 5.183 . 0 0 "[ . 1 . 2]" 1
1555 1 66 PHE H 1 66 PHE HB2 . . 3.390 2.454 2.404 2.540 . 0 0 "[ . 1 . 2]" 1
1556 1 66 PHE H 1 66 PHE HB3 . . 3.630 3.588 3.581 3.594 . 0 0 "[ . 1 . 2]" 1
1557 1 66 PHE H 1 66 PHE QD . . 3.890 3.211 3.102 3.284 . 0 0 "[ . 1 . 2]" 1
1558 1 66 PHE H 1 66 PHE QE . . 4.830 4.576 4.414 4.701 . 0 0 "[ . 1 . 2]" 1
1559 1 66 PHE H 1 67 LEU H . . 3.420 2.889 2.794 2.997 . 0 0 "[ . 1 . 2]" 1
1560 1 66 PHE H 1 67 LEU HB2 . . 5.210 4.611 4.424 4.819 . 0 0 "[ . 1 . 2]" 1
1561 1 66 PHE H 1 68 GLU H . . 4.630 4.368 4.110 4.604 . 0 0 "[ . 1 . 2]" 1
1562 1 66 PHE H 1 69 MET H . . 5.280 4.567 4.475 4.774 . 0 0 "[ . 1 . 2]" 1
1563 1 66 PHE H 1 69 MET HB3 . . 5.500 4.813 4.580 4.947 . 0 0 "[ . 1 . 2]" 1
1564 1 66 PHE HA 1 66 PHE QD . . 3.460 2.015 1.983 2.171 . 0 0 "[ . 1 . 2]" 1
1565 1 66 PHE HA 1 66 PHE QE . . 4.380 4.289 4.259 4.383 0.003 8 0 "[ . 1 . 2]" 1
1566 1 66 PHE HA 1 69 MET H . . 3.840 3.303 3.157 3.533 . 0 0 "[ . 1 . 2]" 1
1567 1 66 PHE HA 1 69 MET HB2 . . 3.580 3.099 2.902 3.379 . 0 0 "[ . 1 . 2]" 1
1568 1 66 PHE HA 1 69 MET HB3 . . 3.830 2.244 2.039 2.338 . 0 0 "[ . 1 . 2]" 1
1569 1 66 PHE HA 1 69 MET HG2 . . 4.290 4.020 3.510 4.300 0.010 14 0 "[ . 1 . 2]" 1
1570 1 66 PHE HA 1 69 MET HG3 . . 5.410 4.904 4.509 5.106 . 0 0 "[ . 1 . 2]" 1
1571 1 66 PHE HA 1 70 GLN H . . 4.570 3.820 3.490 4.123 . 0 0 "[ . 1 . 2]" 1
1572 1 66 PHE HA 1 103 ILE MD . . 4.180 2.696 2.532 2.883 . 0 0 "[ . 1 . 2]" 1
1573 1 66 PHE HB2 1 67 LEU H . . 3.810 2.184 2.119 2.258 . 0 0 "[ . 1 . 2]" 1
1574 1 66 PHE HB2 1 67 LEU HA . . 4.560 4.212 4.111 4.273 . 0 0 "[ . 1 . 2]" 1
1575 1 66 PHE HB2 1 67 LEU QD . . 4.230 3.127 2.788 4.193 . 0 0 "[ . 1 . 2]" 1
1576 1 66 PHE HB2 1 103 ILE MD . . 4.250 4.004 3.707 4.250 . 3 0 "[ . 1 . 2]" 1
1577 1 66 PHE HB3 1 67 LEU H . . 4.120 3.155 3.068 3.257 . 0 0 "[ . 1 . 2]" 1
1578 1 66 PHE HB3 1 67 LEU HA . . 4.540 4.212 4.140 4.318 . 0 0 "[ . 1 . 2]" 1
1579 1 66 PHE HB3 1 103 ILE MD . . 4.250 2.523 2.188 2.746 . 0 0 "[ . 1 . 2]" 1
1580 1 66 PHE HB3 1 103 ILE HG12 . . 5.500 4.952 4.489 5.271 . 0 0 "[ . 1 . 2]" 1
1581 1 66 PHE HB3 1 103 ILE MG . . 5.500 5.235 4.981 5.440 . 0 0 "[ . 1 . 2]" 1
1582 1 66 PHE QD 1 67 LEU H . . 4.710 4.111 3.978 4.173 . 0 0 "[ . 1 . 2]" 1
1583 1 66 PHE QD 1 67 LEU QD . . 4.970 4.291 4.025 4.982 0.012 8 0 "[ . 1 . 2]" 1
1584 1 66 PHE QD 1 69 MET HB3 . . 5.100 3.422 3.274 3.697 . 0 0 "[ . 1 . 2]" 1
1585 1 66 PHE QD 1 69 MET ME . . 4.890 4.443 4.222 4.616 . 0 0 "[ . 1 . 2]" 1
1586 1 66 PHE QD 1 103 ILE HB . . 3.860 2.567 2.335 2.804 . 0 0 "[ . 1 . 2]" 1
1587 1 66 PHE QD 1 103 ILE MD . . 3.670 2.193 1.931 2.655 . 0 0 "[ . 1 . 2]" 1
1588 1 66 PHE QD 1 103 ILE HG13 . . 4.900 3.450 3.108 3.709 . 0 0 "[ . 1 . 2]" 1
1589 1 66 PHE QD 1 103 ILE MG . . 3.930 3.492 3.359 3.705 . 0 0 "[ . 1 . 2]" 1
1590 1 66 PHE QE 1 69 MET ME . . 5.350 4.724 4.428 4.928 . 0 0 "[ . 1 . 2]" 1
1591 1 66 PHE QE 1 103 ILE HB . . 3.960 2.107 1.997 2.556 . 0 0 "[ . 1 . 2]" 1
1592 1 66 PHE QE 1 103 ILE MD . . 3.940 3.610 3.352 3.940 0.000 18 0 "[ . 1 . 2]" 1
1593 1 66 PHE QE 1 103 ILE HG13 . . 5.010 4.100 3.935 4.257 . 0 0 "[ . 1 . 2]" 1
1594 1 66 PHE QE 1 103 ILE MG . . 3.930 3.229 2.950 3.595 . 0 0 "[ . 1 . 2]" 1
1595 1 66 PHE QE 1 105 ARG HA . . 5.500 4.156 3.230 5.047 . 0 0 "[ . 1 . 2]" 1
1596 1 66 PHE QE 1 105 ARG HB2 . . 4.960 3.180 2.273 3.796 . 0 0 "[ . 1 . 2]" 1
1597 1 66 PHE QE 1 105 ARG HB3 . . 5.360 4.582 3.238 5.360 . 7 0 "[ . 1 . 2]" 1
1598 1 66 PHE QE 1 105 ARG QD . . 5.500 4.784 4.068 5.501 0.001 4 0 "[ . 1 . 2]" 1
1599 1 66 PHE HZ 1 103 ILE HB . . 5.130 3.852 3.589 4.071 . 0 0 "[ . 1 . 2]" 1
1600 1 66 PHE HZ 1 103 ILE MD . . 5.460 5.239 4.971 5.463 0.003 19 0 "[ . 1 . 2]" 1
1601 1 66 PHE HZ 1 103 ILE HG13 . . 5.250 5.251 5.208 5.267 0.017 15 0 "[ . 1 . 2]" 1
1602 1 66 PHE HZ 1 103 ILE MG . . 5.180 4.950 4.639 5.181 0.001 18 0 "[ . 1 . 2]" 1
1603 1 67 LEU H 1 67 LEU HB2 . . 3.240 2.401 2.293 2.621 . 0 0 "[ . 1 . 2]" 1
1604 1 67 LEU H 1 67 LEU HB3 . . 3.590 3.586 3.557 3.613 0.023 9 0 "[ . 1 . 2]" 1
1605 1 67 LEU H 1 67 LEU MD1 . . 4.240 2.988 2.015 3.985 . 0 0 "[ . 1 . 2]" 1
1606 1 67 LEU H 1 67 LEU QD . . 3.590 2.263 1.862 3.049 . 0 0 "[ . 1 . 2]" 1
1607 1 67 LEU H 1 67 LEU MD2 . . 4.240 3.351 1.866 4.169 . 0 0 "[ . 1 . 2]" 1
1608 1 67 LEU H 1 68 GLU H . . 3.300 3.117 3.038 3.230 . 0 0 "[ . 1 . 2]" 1
1609 1 67 LEU H 1 68 GLU QG . . 5.220 5.005 4.591 5.231 0.011 14 0 "[ . 1 . 2]" 1
1610 1 67 LEU H 1 69 MET H . . 4.990 4.298 4.147 4.552 . 0 0 "[ . 1 . 2]" 1
1611 1 67 LEU H 1 70 GLN HG3 . . 4.780 4.025 3.846 4.140 . 0 0 "[ . 1 . 2]" 1
1612 1 67 LEU H 1 103 ILE MD . . 5.130 4.973 4.788 5.105 . 0 0 "[ . 1 . 2]" 1
1613 1 67 LEU HA 1 67 LEU MD1 . . 3.530 3.177 2.088 3.732 0.202 8 0 "[ . 1 . 2]" 1
1614 1 67 LEU HA 1 67 LEU QD . . 2.930 2.421 1.862 2.890 . 0 0 "[ . 1 . 2]" 1
1615 1 67 LEU HA 1 67 LEU MD2 . . 3.530 2.783 1.869 3.542 0.012 14 0 "[ . 1 . 2]" 1
1616 1 67 LEU HA 1 70 GLN H . . 4.280 3.855 3.662 4.073 . 0 0 "[ . 1 . 2]" 1
1617 1 67 LEU HA 1 70 GLN HG2 . . 4.710 4.534 4.259 4.714 0.004 7 0 "[ . 1 . 2]" 1
1618 1 67 LEU HA 1 70 GLN HG3 . . 3.390 2.784 2.498 3.022 . 0 0 "[ . 1 . 2]" 1
1619 1 67 LEU HB2 1 68 GLU H . . 3.160 2.512 2.229 2.726 . 0 0 "[ . 1 . 2]" 1
1620 1 67 LEU HB2 1 68 GLU HA . . 5.030 4.607 4.333 4.748 . 0 0 "[ . 1 . 2]" 1
1621 1 67 LEU HB2 1 68 GLU QG . . 4.560 3.581 3.219 3.914 . 0 0 "[ . 1 . 2]" 1
1622 1 67 LEU HB2 1 70 GLN HG3 . . 5.500 5.362 5.140 5.496 . 0 0 "[ . 1 . 2]" 1
1623 1 67 LEU HB3 1 67 LEU QD . . 3.010 2.104 1.992 2.230 . 0 0 "[ . 1 . 2]" 1
1624 1 67 LEU HB3 1 68 GLU H . . 3.590 3.092 2.744 3.417 . 0 0 "[ . 1 . 2]" 1
1625 1 67 LEU HB3 1 68 GLU HA . . 4.800 4.044 3.858 4.291 . 0 0 "[ . 1 . 2]" 1
1626 1 67 LEU HB3 1 68 GLU QG . . 4.720 3.854 3.383 4.260 . 0 0 "[ . 1 . 2]" 1
1627 1 67 LEU HB3 1 70 GLN QB . . 5.500 5.187 4.834 5.462 . 0 0 "[ . 1 . 2]" 1
1628 1 67 LEU HB3 1 70 GLN HG3 . . 5.500 5.242 5.006 5.504 0.004 14 0 "[ . 1 . 2]" 1
1629 1 67 LEU QD 1 68 GLU H . . 4.090 3.900 3.787 4.033 . 0 0 "[ . 1 . 2]" 1
1630 1 67 LEU MD1 1 68 GLU H . . 5.200 4.340 4.127 4.701 . 0 0 "[ . 1 . 2]" 1
1631 1 67 LEU MD2 1 68 GLU H . . 5.200 4.455 4.149 4.692 . 0 0 "[ . 1 . 2]" 1
1632 1 68 GLU H 1 68 GLU HB2 . . 3.240 2.401 2.261 2.619 . 0 0 "[ . 1 . 2]" 1
1633 1 68 GLU H 1 68 GLU HB3 . . 3.980 3.577 3.539 3.599 . 0 0 "[ . 1 . 2]" 1
1634 1 68 GLU H 1 68 GLU HG2 . . 4.030 2.923 2.399 3.442 . 0 0 "[ . 1 . 2]" 1
1635 1 68 GLU H 1 68 GLU QG . . 3.280 2.428 1.946 2.729 . 0 0 "[ . 1 . 2]" 1
1636 1 68 GLU H 1 68 GLU HG3 . . 4.030 3.187 1.959 4.012 . 0 0 "[ . 1 . 2]" 1
1637 1 68 GLU HA 1 68 GLU HG2 . . 3.620 2.802 2.279 3.242 . 0 0 "[ . 1 . 2]" 1
1638 1 68 GLU HA 1 68 GLU QG . . 3.140 2.672 2.235 3.026 . 0 0 "[ . 1 . 2]" 1
1639 1 68 GLU HA 1 68 GLU HG3 . . 3.620 3.426 3.058 3.663 0.043 14 0 "[ . 1 . 2]" 1
1640 1 68 GLU HA 1 71 GLU H . . 3.840 3.498 3.289 3.848 0.008 8 0 "[ . 1 . 2]" 1
1641 1 68 GLU HA 1 72 LYS HD2 . . 5.300 4.331 3.876 4.992 . 0 0 "[ . 1 . 2]" 1
1642 1 68 GLU HA 1 72 LYS QE . . 4.220 3.989 3.694 4.199 . 0 0 "[ . 1 . 2]" 1
1643 1 68 GLU HB2 1 69 MET H . . 3.400 2.623 2.377 2.779 . 0 0 "[ . 1 . 2]" 1
1644 1 68 GLU HB2 1 72 LYS QE . . 4.550 3.333 2.954 3.703 . 0 0 "[ . 1 . 2]" 1
1645 1 68 GLU HB3 1 69 MET H . . 4.220 3.533 3.290 3.839 . 0 0 "[ . 1 . 2]" 1
1646 1 68 GLU HB3 1 72 LYS QE . . 4.450 2.100 1.953 2.298 . 0 0 "[ . 1 . 2]" 1
1647 1 68 GLU QG 1 69 MET H . . 4.810 4.127 3.920 4.271 . 0 0 "[ . 1 . 2]" 1
1648 1 68 GLU QG 1 72 LYS QE . . 4.020 3.648 3.264 3.980 . 0 0 "[ . 1 . 2]" 1
1649 1 69 MET H 1 69 MET HB2 . . 3.590 2.506 2.405 2.611 . 0 0 "[ . 1 . 2]" 1
1650 1 69 MET H 1 69 MET HB3 . . 3.120 2.545 2.438 2.678 . 0 0 "[ . 1 . 2]" 1
1651 1 69 MET H 1 69 MET HG2 . . 5.040 4.551 4.493 4.595 . 0 0 "[ . 1 . 2]" 1
1652 1 69 MET H 1 69 MET HG3 . . 4.610 4.392 4.357 4.420 . 0 0 "[ . 1 . 2]" 1
1653 1 69 MET H 1 70 GLN H . . 3.420 2.773 2.629 2.932 . 0 0 "[ . 1 . 2]" 1
1654 1 69 MET H 1 70 GLN HA . . 5.500 5.350 5.238 5.474 . 0 0 "[ . 1 . 2]" 1
1655 1 69 MET H 1 70 GLN QB . . 5.500 4.896 4.798 5.032 . 0 0 "[ . 1 . 2]" 1
1656 1 69 MET H 1 70 GLN HG3 . . 5.420 4.330 4.031 4.585 . 0 0 "[ . 1 . 2]" 1
1657 1 69 MET H 1 71 GLU H . . 5.370 4.356 4.113 4.720 . 0 0 "[ . 1 . 2]" 1
1658 1 69 MET H 1 72 LYS QE . . 5.340 4.515 4.038 4.936 . 0 0 "[ . 1 . 2]" 1
1659 1 69 MET HA 1 69 MET HG2 . . 3.910 3.576 3.327 3.864 . 0 0 "[ . 1 . 2]" 1
1660 1 69 MET HA 1 69 MET HG3 . . 3.600 2.574 2.336 2.886 . 0 0 "[ . 1 . 2]" 1
1661 1 69 MET HA 1 72 LYS H . . 3.950 3.412 3.146 3.654 . 0 0 "[ . 1 . 2]" 1
1662 1 69 MET HA 1 72 LYS QB . . 3.610 2.342 2.071 2.529 . 0 0 "[ . 1 . 2]" 1
1663 1 69 MET HA 1 72 LYS HD2 . . 4.350 2.142 1.996 2.322 . 0 0 "[ . 1 . 2]" 1
1664 1 69 MET HA 1 72 LYS HD3 . . 4.160 3.254 2.863 3.671 . 0 0 "[ . 1 . 2]" 1
1665 1 69 MET HA 1 72 LYS QE . . 4.750 4.022 3.445 4.347 . 0 0 "[ . 1 . 2]" 1
1666 1 69 MET HA 1 72 LYS HG2 . . 4.900 4.616 4.430 4.826 . 0 0 "[ . 1 . 2]" 1
1667 1 69 MET HA 1 72 LYS HG3 . . 4.900 3.790 3.565 4.068 . 0 0 "[ . 1 . 2]" 1
1668 1 69 MET HA 1 73 LEU HG . . 5.500 4.751 4.647 4.837 . 0 0 "[ . 1 . 2]" 1
1669 1 69 MET HB2 1 70 GLN H . . 4.180 3.879 3.550 4.070 . 0 0 "[ . 1 . 2]" 1
1670 1 69 MET HB2 1 103 ILE MD . . 4.210 4.005 3.851 4.202 . 0 0 "[ . 1 . 2]" 1
1671 1 69 MET HB3 1 70 GLN H . . 3.740 2.599 2.094 2.944 . 0 0 "[ . 1 . 2]" 1
1672 1 69 MET HB3 1 70 GLN HG2 . . 5.100 3.711 3.367 3.873 . 0 0 "[ . 1 . 2]" 1
1673 1 69 MET HB3 1 71 GLU H . . 5.450 5.139 4.743 5.403 . 0 0 "[ . 1 . 2]" 1
1674 1 69 MET HB3 1 72 LYS H . . 5.500 5.404 5.139 5.518 0.018 2 0 "[ . 1 . 2]" 1
1675 1 69 MET HB3 1 103 ILE MD . . 3.740 2.873 2.708 3.100 . 0 0 "[ . 1 . 2]" 1
1676 1 69 MET ME 1 69 MET HG2 . . 3.080 2.246 2.014 2.471 . 0 0 "[ . 1 . 2]" 1
1677 1 69 MET ME 1 69 MET HG3 . . 3.260 2.760 2.543 2.992 . 0 0 "[ . 1 . 2]" 1
1678 1 69 MET ME 1 99 LEU HB3 . . 5.210 4.864 4.512 5.214 0.004 10 0 "[ . 1 . 2]" 1
1679 1 69 MET ME 1 99 LEU MD1 . . 3.180 2.380 1.987 2.637 . 0 0 "[ . 1 . 2]" 1
1680 1 69 MET ME 1 99 LEU MD2 . . 3.020 2.234 1.925 2.517 . 0 0 "[ . 1 . 2]" 1
1681 1 69 MET ME 1 99 LEU HG . . 3.380 2.914 2.529 3.346 . 0 0 "[ . 1 . 2]" 1
1682 1 69 MET ME 1 103 ILE MD . . 3.360 3.068 2.792 3.261 . 0 0 "[ . 1 . 2]" 1
1683 1 69 MET ME 1 103 ILE MG . . 2.970 2.499 2.143 2.792 . 0 0 "[ . 1 . 2]" 1
1684 1 69 MET HG2 1 103 ILE MD . . 3.310 2.587 2.068 3.042 . 0 0 "[ . 1 . 2]" 1
1685 1 69 MET HG2 1 103 ILE MG . . 4.630 3.500 2.926 3.869 . 0 0 "[ . 1 . 2]" 1
1686 1 69 MET HG3 1 70 GLN H . . 5.170 4.171 3.412 4.708 . 0 0 "[ . 1 . 2]" 1
1687 1 69 MET HG3 1 70 GLN HA . . 5.450 4.371 3.455 5.063 . 0 0 "[ . 1 . 2]" 1
1688 1 69 MET HG3 1 73 LEU H . . 5.500 4.340 3.853 4.820 . 0 0 "[ . 1 . 2]" 1
1689 1 69 MET HG3 1 73 LEU HB3 . . 5.190 4.036 3.622 4.343 . 0 0 "[ . 1 . 2]" 1
1690 1 69 MET HG3 1 103 ILE MD . . 5.220 3.859 3.119 4.450 . 0 0 "[ . 1 . 2]" 1
1691 1 69 MET HG3 1 103 ILE MG . . 5.100 4.712 4.178 5.106 0.006 14 0 "[ . 1 . 2]" 1
1692 1 70 GLN H 1 70 GLN QB . . 3.390 2.589 2.485 2.786 . 0 0 "[ . 1 . 2]" 1
1693 1 70 GLN H 1 70 GLN HG2 . . 3.770 2.704 2.239 2.970 . 0 0 "[ . 1 . 2]" 1
1694 1 70 GLN H 1 70 GLN HG3 . . 3.530 2.245 1.940 2.427 . 0 0 "[ . 1 . 2]" 1
1695 1 70 GLN H 1 71 GLU H . . 3.410 2.745 2.557 2.979 . 0 0 "[ . 1 . 2]" 1
1696 1 70 GLN H 1 72 LYS HD2 . . 5.500 5.029 4.650 5.354 . 0 0 "[ . 1 . 2]" 1
1697 1 70 GLN H 1 100 LEU MD2 . . 4.040 3.831 3.512 4.016 . 0 0 "[ . 1 . 2]" 1
1698 1 70 GLN H 1 103 ILE MD . . 3.980 3.778 3.361 3.985 0.005 4 0 "[ . 1 . 2]" 1
1699 1 70 GLN HA 1 70 GLN HG2 . . 3.760 2.520 2.445 2.681 . 0 0 "[ . 1 . 2]" 1
1700 1 70 GLN HA 1 70 GLN HG3 . . 3.890 3.504 3.377 3.600 . 0 0 "[ . 1 . 2]" 1
1701 1 70 GLN HA 1 73 LEU H . . 3.930 3.685 3.551 3.755 . 0 0 "[ . 1 . 2]" 1
1702 1 70 GLN HA 1 73 LEU HB2 . . 5.110 5.001 4.866 5.101 . 0 0 "[ . 1 . 2]" 1
1703 1 70 GLN HA 1 73 LEU HB3 . . 4.770 4.633 4.486 4.772 0.002 20 0 "[ . 1 . 2]" 1
1704 1 70 GLN HA 1 73 LEU HG . . 4.180 2.305 2.161 2.388 . 0 0 "[ . 1 . 2]" 1
1705 1 70 GLN HA 1 74 GLU H . . 4.770 3.692 3.451 3.915 . 0 0 "[ . 1 . 2]" 1
1706 1 70 GLN HA 1 74 GLU HG2 . . 5.500 5.267 5.158 5.363 . 0 0 "[ . 1 . 2]" 1
1707 1 70 GLN HA 1 100 LEU MD1 . . 4.090 3.834 3.592 4.089 . 0 0 "[ . 1 . 2]" 1
1708 1 70 GLN HA 1 100 LEU MD2 . . 3.280 1.966 1.836 2.079 . 0 0 "[ . 1 . 2]" 1
1709 1 70 GLN QB 1 70 GLN QE . . 4.050 3.407 2.273 3.573 . 0 0 "[ . 1 . 2]" 1
1710 1 70 GLN QB 1 71 GLU H . . 3.050 2.430 2.053 2.741 . 0 0 "[ . 1 . 2]" 1
1711 1 70 GLN QB 1 73 LEU MD1 . . 3.630 3.581 3.444 3.641 0.011 3 0 "[ . 1 . 2]" 1
1712 1 70 GLN QB 1 73 LEU HG . . 4.420 4.077 3.987 4.134 . 0 0 "[ . 1 . 2]" 1
1713 1 70 GLN QB 1 100 LEU MD1 . . 3.790 3.274 2.967 3.517 . 0 0 "[ . 1 . 2]" 1
1714 1 70 GLN QB 1 100 LEU MD2 . . 3.210 2.135 1.810 2.420 . 0 0 "[ . 1 . 2]" 1
1715 1 70 GLN QE 1 100 LEU HB3 . . 5.070 3.027 2.187 4.018 . 0 0 "[ . 1 . 2]" 1
1716 1 70 GLN QE 1 100 LEU MD2 . . 3.960 2.793 1.880 3.718 . 0 0 "[ . 1 . 2]" 1
1717 1 70 GLN QE 1 103 ILE MD . . 4.000 2.644 2.190 3.575 . 0 0 "[ . 1 . 2]" 1
1718 1 70 GLN HE21 1 100 LEU MD2 . . 4.560 2.987 1.891 4.150 . 0 0 "[ . 1 . 2]" 1
1719 1 70 GLN HE22 1 70 GLN HG3 . . 4.060 3.710 3.468 4.094 0.034 14 0 "[ . 1 . 2]" 1
1720 1 70 GLN HE22 1 100 LEU MD2 . . 4.560 3.535 2.977 4.199 . 0 0 "[ . 1 . 2]" 1
1721 1 70 GLN HG2 1 71 GLU H . . 4.970 4.623 4.502 4.811 . 0 0 "[ . 1 . 2]" 1
1722 1 70 GLN HG2 1 100 LEU MD1 . . 4.630 4.332 4.143 4.611 . 0 0 "[ . 1 . 2]" 1
1723 1 70 GLN HG2 1 100 LEU MD2 . . 3.580 2.025 1.924 2.127 . 0 0 "[ . 1 . 2]" 1
1724 1 70 GLN HG2 1 103 ILE MD . . 4.190 2.341 2.093 2.521 . 0 0 "[ . 1 . 2]" 1
1725 1 70 GLN HG2 1 103 ILE HG13 . . 5.010 4.496 4.242 4.706 . 0 0 "[ . 1 . 2]" 1
1726 1 70 GLN HG3 1 71 GLU H . . 5.100 4.023 3.725 4.161 . 0 0 "[ . 1 . 2]" 1
1727 1 70 GLN HG3 1 100 LEU MD2 . . 3.770 3.384 3.262 3.517 . 0 0 "[ . 1 . 2]" 1
1728 1 71 GLU H 1 71 GLU HB2 . . 3.910 2.537 2.181 3.610 . 0 0 "[ . 1 . 2]" 1
1729 1 71 GLU H 1 71 GLU QB . . 3.160 2.349 2.160 2.628 . 0 0 "[ . 1 . 2]" 1
1730 1 71 GLU H 1 71 GLU HB3 . . 3.910 3.416 2.482 3.613 . 0 0 "[ . 1 . 2]" 1
1731 1 71 GLU H 1 71 GLU HG2 . . 3.970 2.956 1.973 3.889 . 0 0 "[ . 1 . 2]" 1
1732 1 71 GLU H 1 71 GLU QG . . 3.220 2.464 1.941 2.921 . 0 0 "[ . 1 . 2]" 1
1733 1 71 GLU H 1 71 GLU HG3 . . 3.970 3.151 2.298 3.964 . 0 0 "[ . 1 . 2]" 1
1734 1 71 GLU H 1 72 LYS HD2 . . 5.500 5.200 4.687 5.435 . 0 0 "[ . 1 . 2]" 1
1735 1 71 GLU H 1 100 LEU MD2 . . 4.920 4.650 4.428 4.804 . 0 0 "[ . 1 . 2]" 1
1736 1 71 GLU HA 1 71 GLU HG2 . . 3.980 2.838 2.338 3.920 . 0 0 "[ . 1 . 2]" 1
1737 1 71 GLU HA 1 71 GLU QG . . 3.460 2.673 2.243 3.339 . 0 0 "[ . 1 . 2]" 1
1738 1 71 GLU HA 1 71 GLU HG3 . . 3.980 3.411 2.804 3.800 . 0 0 "[ . 1 . 2]" 1
1739 1 71 GLU HA 1 73 LEU MD1 . . 5.500 4.712 4.556 4.974 . 0 0 "[ . 1 . 2]" 1
1740 1 71 GLU QB 1 72 LYS H . . 3.510 2.900 2.639 3.538 0.028 20 0 "[ . 1 . 2]" 1
1741 1 71 GLU QB 1 72 LYS QG . . 5.180 3.608 3.344 4.438 . 0 0 "[ . 1 . 2]" 1
1742 1 71 GLU HB2 1 72 LYS H . . 4.210 3.041 2.708 3.955 . 0 0 "[ . 1 . 2]" 1
1743 1 71 GLU HB3 1 72 LYS H . . 4.210 3.747 3.319 4.124 . 0 0 "[ . 1 . 2]" 1
1744 1 71 GLU QG 1 72 LYS H . . 4.520 3.947 2.134 4.431 . 0 0 "[ . 1 . 2]" 1
1745 1 72 LYS H 1 72 LYS HB2 . . 3.690 2.330 2.286 2.402 . 0 0 "[ . 1 . 2]" 1
1746 1 72 LYS H 1 72 LYS QB . . 3.040 2.301 2.259 2.367 . 0 0 "[ . 1 . 2]" 1
1747 1 72 LYS H 1 72 LYS HB3 . . 3.690 3.563 3.546 3.585 . 0 0 "[ . 1 . 2]" 1
1748 1 72 LYS H 1 72 LYS HD3 . . 4.690 4.575 4.349 4.714 0.024 2 0 "[ . 1 . 2]" 1
1749 1 72 LYS H 1 72 LYS QE . . 4.820 4.532 4.129 4.678 . 0 0 "[ . 1 . 2]" 1
1750 1 72 LYS H 1 72 LYS HG2 . . 3.950 3.904 3.727 3.965 0.015 6 0 "[ . 1 . 2]" 1
1751 1 72 LYS H 1 72 LYS QG . . 3.180 2.542 2.342 2.623 . 0 0 "[ . 1 . 2]" 1
1752 1 72 LYS H 1 72 LYS HG3 . . 3.950 2.576 2.367 2.662 . 0 0 "[ . 1 . 2]" 1
1753 1 72 LYS H 1 73 LEU H . . 3.370 2.625 2.479 2.786 . 0 0 "[ . 1 . 2]" 1
1754 1 72 LYS HA 1 72 LYS HD2 . . 5.500 4.548 4.498 4.582 . 0 0 "[ . 1 . 2]" 1
1755 1 72 LYS HA 1 72 LYS HG2 . . 3.800 2.694 2.642 2.785 . 0 0 "[ . 1 . 2]" 1
1756 1 72 LYS HA 1 72 LYS QG . . 3.230 2.394 2.357 2.441 . 0 0 "[ . 1 . 2]" 1
1757 1 72 LYS HA 1 72 LYS HG3 . . 3.800 2.683 2.626 2.798 . 0 0 "[ . 1 . 2]" 1
1758 1 72 LYS QB 1 72 LYS HD2 . . 3.350 2.383 2.237 2.520 . 0 0 "[ . 1 . 2]" 1
1759 1 72 LYS QB 1 72 LYS HD3 . . 3.380 2.402 2.295 2.535 . 0 0 "[ . 1 . 2]" 1
1760 1 72 LYS QB 1 72 LYS QE . . 4.280 3.578 3.464 3.654 . 0 0 "[ . 1 . 2]" 1
1761 1 72 LYS QB 1 73 LEU H . . 3.860 2.585 2.266 2.837 . 0 0 "[ . 1 . 2]" 1
1762 1 72 LYS HB2 1 72 LYS HD2 . . 3.840 2.439 2.291 2.581 . 0 0 "[ . 1 . 2]" 1
1763 1 72 LYS HB3 1 72 LYS HD2 . . 3.840 3.350 3.125 3.550 . 0 0 "[ . 1 . 2]" 1
1764 1 72 LYS HD2 1 73 LEU H . . 5.500 4.956 4.727 5.230 . 0 0 "[ . 1 . 2]" 1
1765 1 72 LYS QE 1 72 LYS QG . . 2.840 2.178 2.069 2.289 . 0 0 "[ . 1 . 2]" 1
1766 1 72 LYS QG 1 73 LEU H . . 4.560 4.249 4.148 4.368 . 0 0 "[ . 1 . 2]" 1
1767 1 73 LEU H 1 73 LEU HB2 . . 3.800 3.607 3.574 3.646 . 0 0 "[ . 1 . 2]" 1
1768 1 73 LEU H 1 73 LEU HB3 . . 3.130 2.779 2.692 2.890 . 0 0 "[ . 1 . 2]" 1
1769 1 73 LEU H 1 73 LEU MD1 . . 3.490 3.429 3.353 3.500 0.010 20 0 "[ . 1 . 2]" 1
1770 1 73 LEU H 1 73 LEU HG . . 3.170 1.904 1.889 1.938 . 0 0 "[ . 1 . 2]" 1
1771 1 73 LEU H 1 74 GLU H . . 3.760 2.449 2.194 2.743 . 0 0 "[ . 1 . 2]" 1
1772 1 73 LEU H 1 75 ARG H . . 5.050 4.415 4.157 4.631 . 0 0 "[ . 1 . 2]" 1
1773 1 73 LEU H 1 76 LEU H . . 5.160 5.100 4.976 5.163 0.003 13 0 "[ . 1 . 2]" 1
1774 1 73 LEU HA 1 73 LEU HG . . 3.800 3.655 3.626 3.673 . 0 0 "[ . 1 . 2]" 1
1775 1 73 LEU HA 1 76 LEU H . . 3.840 3.709 3.545 3.788 . 0 0 "[ . 1 . 2]" 1
1776 1 73 LEU HA 1 76 LEU HB2 . . 4.220 3.175 2.998 3.331 . 0 0 "[ . 1 . 2]" 1
1777 1 73 LEU HA 1 76 LEU HB3 . . 4.720 4.544 4.420 4.626 . 0 0 "[ . 1 . 2]" 1
1778 1 73 LEU HA 1 76 LEU MD1 . . 3.230 2.065 1.949 2.196 . 0 0 "[ . 1 . 2]" 1
1779 1 73 LEU HB2 1 73 LEU MD1 . . 3.240 2.104 1.991 2.223 . 0 0 "[ . 1 . 2]" 1
1780 1 73 LEU HB2 1 74 GLU H . . 4.010 3.550 3.290 3.775 . 0 0 "[ . 1 . 2]" 1
1781 1 73 LEU HB2 1 77 LEU H . . 5.500 5.436 5.294 5.509 0.009 13 0 "[ . 1 . 2]" 1
1782 1 73 LEU HB2 1 96 VAL HA . . 4.650 3.422 3.248 3.668 . 0 0 "[ . 1 . 2]" 1
1783 1 73 LEU HB2 1 96 VAL HB . . 4.980 4.185 4.051 4.468 . 0 0 "[ . 1 . 2]" 1
1784 1 73 LEU HB2 1 96 VAL MG2 . . 3.720 2.950 2.660 3.211 . 0 0 "[ . 1 . 2]" 1
1785 1 73 LEU HB3 1 74 GLU H . . 4.230 3.910 3.826 4.023 . 0 0 "[ . 1 . 2]" 1
1786 1 73 LEU HB3 1 99 LEU HB3 . . 5.500 5.226 5.022 5.482 . 0 0 "[ . 1 . 2]" 1
1787 1 73 LEU HB3 1 99 LEU MD2 . . 4.790 2.928 2.691 3.149 . 0 0 "[ . 1 . 2]" 1
1788 1 73 LEU MD1 1 74 GLU H . . 4.090 2.166 1.871 2.436 . 0 0 "[ . 1 . 2]" 1
1789 1 73 LEU MD1 1 74 GLU HA . . 2.870 2.497 2.407 2.584 . 0 0 "[ . 1 . 2]" 1
1790 1 73 LEU MD1 1 74 GLU HG2 . . 3.980 2.912 2.790 3.014 . 0 0 "[ . 1 . 2]" 1
1791 1 73 LEU MD1 1 74 GLU HG3 . . 4.130 2.059 1.963 2.341 . 0 0 "[ . 1 . 2]" 1
1792 1 73 LEU MD1 1 75 ARG H . . 4.660 4.519 4.404 4.621 . 0 0 "[ . 1 . 2]" 1
1793 1 73 LEU MD1 1 96 VAL H . . 5.500 4.950 4.675 5.082 . 0 0 "[ . 1 . 2]" 1
1794 1 73 LEU MD1 1 96 VAL HA . . 3.070 2.790 2.401 2.984 . 0 0 "[ . 1 . 2]" 1
1795 1 73 LEU MD1 1 96 VAL HB . . 3.670 3.606 3.409 3.696 0.026 11 0 "[ . 1 . 2]" 1
1796 1 73 LEU MD1 1 99 LEU HB3 . . 4.590 3.230 2.887 3.482 . 0 0 "[ . 1 . 2]" 1
1797 1 73 LEU MD1 1 99 LEU MD1 . . 5.300 5.055 4.806 5.287 . 0 0 "[ . 1 . 2]" 1
1798 1 73 LEU MD1 1 99 LEU MD2 . . 3.250 3.107 2.907 3.252 0.002 6 0 "[ . 1 . 2]" 1
1799 1 73 LEU MD1 1 100 LEU H . . 4.130 3.948 3.812 4.123 . 0 0 "[ . 1 . 2]" 1
1800 1 73 LEU MD1 1 100 LEU HG . . 2.820 2.539 2.322 2.817 . 0 0 "[ . 1 . 2]" 1
1801 1 73 LEU HG 1 74 GLU H . . 4.320 2.125 2.019 2.331 . 0 0 "[ . 1 . 2]" 1
1802 1 74 GLU H 1 74 GLU QB . . 3.220 2.231 2.181 2.270 . 0 0 "[ . 1 . 2]" 1
1803 1 74 GLU H 1 74 GLU HG2 . . 3.880 3.711 3.622 3.795 . 0 0 "[ . 1 . 2]" 1
1804 1 74 GLU H 1 74 GLU HG3 . . 3.720 2.759 2.684 2.877 . 0 0 "[ . 1 . 2]" 1
1805 1 74 GLU H 1 75 ARG H . . 3.370 3.038 2.873 3.176 . 0 0 "[ . 1 . 2]" 1
1806 1 74 GLU H 1 76 LEU H . . 4.630 4.509 4.389 4.588 . 0 0 "[ . 1 . 2]" 1
1807 1 74 GLU H 1 100 LEU MD1 . . 5.010 4.552 4.226 4.850 . 0 0 "[ . 1 . 2]" 1
1808 1 74 GLU H 1 100 LEU MD2 . . 4.460 3.989 3.791 4.361 . 0 0 "[ . 1 . 2]" 1
1809 1 74 GLU HA 1 74 GLU HG2 . . 3.670 2.284 2.243 2.327 . 0 0 "[ . 1 . 2]" 1
1810 1 74 GLU HA 1 74 GLU HG3 . . 3.310 2.926 2.862 3.009 . 0 0 "[ . 1 . 2]" 1
1811 1 74 GLU QB 1 75 ARG H . . 2.890 2.329 2.234 2.424 . 0 0 "[ . 1 . 2]" 1
1812 1 74 GLU HB2 1 75 ARG H . . 3.450 2.473 2.376 2.571 . 0 0 "[ . 1 . 2]" 1
1813 1 74 GLU HB3 1 75 ARG H . . 3.450 2.845 2.713 2.971 . 0 0 "[ . 1 . 2]" 1
1814 1 74 GLU HG2 1 75 ARG H . . 4.890 4.796 4.728 4.863 . 0 0 "[ . 1 . 2]" 1
1815 1 74 GLU HG2 1 77 LEU HB2 . . 4.880 4.753 4.642 4.858 . 0 0 "[ . 1 . 2]" 1
1816 1 74 GLU HG2 1 77 LEU HB3 . . 5.500 5.473 5.314 5.514 0.014 6 0 "[ . 1 . 2]" 1
1817 1 74 GLU HG2 1 96 VAL MG2 . . 4.760 2.984 2.544 3.221 . 0 0 "[ . 1 . 2]" 1
1818 1 74 GLU HG2 1 100 LEU MD1 . . 4.110 2.917 2.498 3.136 . 0 0 "[ . 1 . 2]" 1
1819 1 74 GLU HG2 1 100 LEU MD2 . . 5.130 4.069 3.776 4.411 . 0 0 "[ . 1 . 2]" 1
1820 1 74 GLU HG2 1 100 LEU HG . . 5.500 5.279 4.763 5.503 0.003 2 0 "[ . 1 . 2]" 1
1821 1 74 GLU HG3 1 75 ARG H . . 4.870 4.600 4.541 4.659 . 0 0 "[ . 1 . 2]" 1
1822 1 74 GLU HG3 1 100 LEU MD1 . . 3.920 2.584 2.000 2.868 . 0 0 "[ . 1 . 2]" 1
1823 1 75 ARG H 1 75 ARG HB2 . . 3.400 2.362 2.291 2.431 . 0 0 "[ . 1 . 2]" 1
1824 1 75 ARG H 1 75 ARG HB3 . . 3.340 2.740 2.643 2.867 . 0 0 "[ . 1 . 2]" 1
1825 1 75 ARG H 1 75 ARG QD . . 4.570 4.089 3.834 4.349 . 0 0 "[ . 1 . 2]" 1
1826 1 75 ARG H 1 75 ARG HG3 . . 4.610 4.511 4.466 4.554 . 0 0 "[ . 1 . 2]" 1
1827 1 75 ARG H 1 76 LEU H . . 3.380 3.048 2.943 3.132 . 0 0 "[ . 1 . 2]" 1
1828 1 75 ARG H 1 76 LEU HB2 . . 5.500 5.111 4.984 5.230 . 0 0 "[ . 1 . 2]" 1
1829 1 75 ARG H 1 76 LEU MD1 . . 5.500 5.464 5.344 5.513 0.013 10 0 "[ . 1 . 2]" 1
1830 1 75 ARG HA 1 75 ARG QD . . 3.250 2.138 1.976 2.280 . 0 0 "[ . 1 . 2]" 1
1831 1 75 ARG HA 1 75 ARG HG2 . . 3.970 3.752 3.718 3.798 . 0 0 "[ . 1 . 2]" 1
1832 1 75 ARG HA 1 75 ARG HG3 . . 3.630 2.896 2.816 3.128 . 0 0 "[ . 1 . 2]" 1
1833 1 75 ARG HA 1 77 LEU H . . 4.530 4.153 4.077 4.251 . 0 0 "[ . 1 . 2]" 1
1834 1 75 ARG HA 1 78 GLN H . . 3.900 3.883 3.850 3.910 0.010 20 0 "[ . 1 . 2]" 1
1835 1 75 ARG HB2 1 76 LEU H . . 4.320 3.648 3.562 3.738 . 0 0 "[ . 1 . 2]" 1
1836 1 75 ARG HB3 1 76 LEU H . . 3.120 2.274 2.213 2.385 . 0 0 "[ . 1 . 2]" 1
1837 1 75 ARG HB3 1 76 LEU HG . . 4.000 3.474 3.423 3.572 . 0 0 "[ . 1 . 2]" 1
1838 1 75 ARG HB3 1 78 GLN H . . 5.500 5.491 5.440 5.518 0.018 13 0 "[ . 1 . 2]" 1
1839 1 75 ARG QD 1 76 LEU H . . 5.020 4.726 4.487 4.853 . 0 0 "[ . 1 . 2]" 1
1840 1 75 ARG QD 1 78 GLN H . . 4.990 4.698 4.165 4.921 . 0 0 "[ . 1 . 2]" 1
1841 1 75 ARG QD 1 78 GLN QB . . 4.030 3.843 3.145 4.030 . 0 0 "[ . 1 . 2]" 1
1842 1 75 ARG QD 1 78 GLN HG2 . . 4.550 3.614 2.937 3.863 . 0 0 "[ . 1 . 2]" 1
1843 1 75 ARG HG2 1 76 LEU HA . . 5.200 5.048 4.815 5.204 0.004 15 0 "[ . 1 . 2]" 1
1844 1 75 ARG HG2 1 78 GLN HG2 . . 5.500 4.561 4.365 4.731 . 0 0 "[ . 1 . 2]" 1
1845 1 75 ARG HG3 1 76 LEU H . . 3.800 3.683 3.538 3.797 . 0 0 "[ . 1 . 2]" 1
1846 1 75 ARG HG3 1 78 GLN QB . . 4.450 4.151 3.966 4.311 . 0 0 "[ . 1 . 2]" 1
1847 1 75 ARG HG3 1 78 GLN HG2 . . 5.050 2.936 2.787 3.093 . 0 0 "[ . 1 . 2]" 1
1848 1 76 LEU H 1 76 LEU HB2 . . 3.700 2.630 2.567 2.715 . 0 0 "[ . 1 . 2]" 1
1849 1 76 LEU H 1 76 LEU HB3 . . 3.960 3.599 3.590 3.605 . 0 0 "[ . 1 . 2]" 1
1850 1 76 LEU H 1 76 LEU MD1 . . 3.830 3.549 3.495 3.608 . 0 0 "[ . 1 . 2]" 1
1851 1 76 LEU H 1 76 LEU MD2 . . 3.550 3.174 3.012 3.270 . 0 0 "[ . 1 . 2]" 1
1852 1 76 LEU H 1 76 LEU HG . . 3.650 2.064 1.934 2.165 . 0 0 "[ . 1 . 2]" 1
1853 1 76 LEU HA 1 76 LEU MD1 . . 4.680 3.890 3.862 3.919 . 0 0 "[ . 1 . 2]" 1
1854 1 76 LEU HA 1 76 LEU MD2 . . 3.140 2.073 1.973 2.281 . 0 0 "[ . 1 . 2]" 1
1855 1 76 LEU HA 1 76 LEU HG . . 3.800 3.095 3.036 3.162 . 0 0 "[ . 1 . 2]" 1
1856 1 76 LEU HA 1 77 LEU HA . . 5.500 4.982 4.966 4.987 . 0 0 "[ . 1 . 2]" 1
1857 1 76 LEU HA 1 79 ASP H . . 4.250 3.529 3.449 3.629 . 0 0 "[ . 1 . 2]" 1
1858 1 76 LEU HA 1 79 ASP HB2 . . 4.530 4.007 3.843 4.201 . 0 0 "[ . 1 . 2]" 1
1859 1 76 LEU HB2 1 76 LEU MD1 . . 3.530 2.244 2.163 2.398 . 0 0 "[ . 1 . 2]" 1
1860 1 76 LEU HB2 1 76 LEU MD2 . . 3.340 3.179 3.173 3.192 . 0 0 "[ . 1 . 2]" 1
1861 1 76 LEU HB2 1 77 LEU H . . 4.000 2.597 2.523 2.646 . 0 0 "[ . 1 . 2]" 1
1862 1 76 LEU HB3 1 76 LEU MD1 . . 3.450 2.437 2.279 2.500 . 0 0 "[ . 1 . 2]" 1
1863 1 76 LEU HB3 1 76 LEU MD2 . . 3.460 2.302 2.193 2.381 . 0 0 "[ . 1 . 2]" 1
1864 1 76 LEU HB3 1 77 LEU H . . 4.310 3.657 3.606 3.738 . 0 0 "[ . 1 . 2]" 1
1865 1 76 LEU MD1 1 77 LEU H . . 4.580 4.438 4.344 4.539 . 0 0 "[ . 1 . 2]" 1
1866 1 77 LEU H 1 77 LEU HB2 . . 3.160 2.346 2.260 2.384 . 0 0 "[ . 1 . 2]" 1
1867 1 77 LEU H 1 77 LEU HB3 . . 3.090 2.765 2.720 2.875 . 0 0 "[ . 1 . 2]" 1
1868 1 77 LEU H 1 77 LEU QD . . 4.400 3.531 3.439 3.566 . 0 0 "[ . 1 . 2]" 1
1869 1 77 LEU H 1 77 LEU HG . . 5.090 4.566 4.552 4.598 . 0 0 "[ . 1 . 2]" 1
1870 1 77 LEU H 1 78 GLN H . . 3.420 2.981 2.923 3.012 . 0 0 "[ . 1 . 2]" 1
1871 1 77 LEU H 1 79 ASP H . . 4.830 4.698 4.643 4.781 . 0 0 "[ . 1 . 2]" 1
1872 1 77 LEU H 1 96 VAL HB . . 5.500 4.824 4.569 5.011 . 0 0 "[ . 1 . 2]" 1
1873 1 77 LEU H 1 96 VAL MG1 . . 5.190 4.943 4.743 5.059 . 0 0 "[ . 1 . 2]" 1
1874 1 77 LEU H 1 96 VAL MG2 . . 4.090 3.674 3.527 3.855 . 0 0 "[ . 1 . 2]" 1
1875 1 77 LEU HA 1 77 LEU HG . . 3.000 3.000 2.975 3.026 0.026 15 0 "[ . 1 . 2]" 1
1876 1 77 LEU HA 1 78 GLN HA . . 5.500 4.913 4.885 4.927 . 0 0 "[ . 1 . 2]" 1
1877 1 77 LEU HA 1 80 ALA H . . 4.040 3.562 3.458 3.620 . 0 0 "[ . 1 . 2]" 1
1878 1 77 LEU HA 1 81 HIS H . . 4.850 4.476 4.282 4.578 . 0 0 "[ . 1 . 2]" 1
1879 1 77 LEU HA 1 92 ILE MG . . 3.970 3.365 3.171 3.701 . 0 0 "[ . 1 . 2]" 1
1880 1 77 LEU HA 1 93 VAL MG2 . . 5.140 5.054 4.867 5.162 0.022 15 0 "[ . 1 . 2]" 1
1881 1 77 LEU HA 1 96 VAL HB . . 4.960 4.414 4.303 4.598 . 0 0 "[ . 1 . 2]" 1
1882 1 77 LEU HA 1 96 VAL MG1 . . 4.150 4.065 3.917 4.152 0.002 11 0 "[ . 1 . 2]" 1
1883 1 77 LEU HB2 1 78 GLN H . . 4.130 3.864 3.779 3.927 . 0 0 "[ . 1 . 2]" 1
1884 1 77 LEU HB2 1 92 ILE MG . . 5.080 4.717 4.498 5.084 0.004 13 0 "[ . 1 . 2]" 1
1885 1 77 LEU HB2 1 96 VAL MG1 . . 3.520 3.326 3.113 3.477 . 0 0 "[ . 1 . 2]" 1
1886 1 77 LEU HB2 1 96 VAL MG2 . . 3.150 2.760 2.554 2.888 . 0 0 "[ . 1 . 2]" 1
1887 1 77 LEU HB3 1 77 LEU QD . . 3.140 2.216 2.104 2.325 . 0 0 "[ . 1 . 2]" 1
1888 1 77 LEU HB3 1 78 GLN H . . 3.570 2.672 2.569 2.846 . 0 0 "[ . 1 . 2]" 1
1889 1 77 LEU HB3 1 78 GLN HG3 . . 5.500 4.793 4.695 4.985 . 0 0 "[ . 1 . 2]" 1
1890 1 77 LEU HB3 1 79 ASP H . . 5.330 5.258 5.166 5.345 0.015 11 0 "[ . 1 . 2]" 1
1891 1 77 LEU HB3 1 80 ALA H . . 5.410 5.377 5.249 5.422 0.012 3 0 "[ . 1 . 2]" 1
1892 1 77 LEU HB3 1 81 HIS HD2 . . 5.190 5.116 4.810 5.206 0.016 10 0 "[ . 1 . 2]" 1
1893 1 77 LEU HB3 1 81 HIS HE1 . . 5.500 5.433 5.229 5.516 0.016 6 0 "[ . 1 . 2]" 1
1894 1 77 LEU QD 1 81 HIS HB3 . . 5.180 4.760 4.519 5.098 . 0 0 "[ . 1 . 2]" 1
1895 1 77 LEU QD 1 81 HIS HD2 . . 4.140 2.770 2.442 3.086 . 0 0 "[ . 1 . 2]" 1
1896 1 77 LEU QD 1 81 HIS HE1 . . 3.730 2.369 2.170 2.657 . 0 0 "[ . 1 . 2]" 1
1897 1 77 LEU HG 1 78 GLN H . . 4.710 4.065 3.969 4.304 . 0 0 "[ . 1 . 2]" 1
1898 1 77 LEU HG 1 80 ALA MB . . 4.210 3.460 3.265 3.623 . 0 0 "[ . 1 . 2]" 1
1899 1 77 LEU HG 1 81 HIS H . . 3.910 3.464 3.281 3.655 . 0 0 "[ . 1 . 2]" 1
1900 1 77 LEU HG 1 81 HIS HD2 . . 4.430 2.743 2.486 2.906 . 0 0 "[ . 1 . 2]" 1
1901 1 77 LEU HG 1 81 HIS HE1 . . 4.580 3.742 3.642 3.933 . 0 0 "[ . 1 . 2]" 1
1902 1 77 LEU HG 1 93 VAL MG2 . . 4.260 3.885 3.634 4.092 . 0 0 "[ . 1 . 2]" 1
1903 1 78 GLN H 1 78 GLN QB . . 3.000 2.489 2.455 2.528 . 0 0 "[ . 1 . 2]" 1
1904 1 78 GLN H 1 78 GLN HG2 . . 4.260 3.291 3.226 3.373 . 0 0 "[ . 1 . 2]" 1
1905 1 78 GLN H 1 78 GLN HG3 . . 4.150 2.158 2.080 2.235 . 0 0 "[ . 1 . 2]" 1
1906 1 78 GLN H 1 79 ASP H . . 3.400 2.955 2.869 2.996 . 0 0 "[ . 1 . 2]" 1
1907 1 78 GLN H 1 79 ASP HA . . 5.500 5.480 5.418 5.510 0.010 3 0 "[ . 1 . 2]" 1
1908 1 78 GLN H 1 79 ASP HB2 . . 5.050 4.754 4.686 4.781 . 0 0 "[ . 1 . 2]" 1
1909 1 78 GLN H 1 80 ALA H . . 4.540 4.309 4.151 4.388 . 0 0 "[ . 1 . 2]" 1
1910 1 78 GLN H 1 81 HIS HB2 . . 5.500 4.942 4.727 5.045 . 0 0 "[ . 1 . 2]" 1
1911 1 78 GLN HA 1 78 GLN HG3 . . 3.740 3.607 3.586 3.625 . 0 0 "[ . 1 . 2]" 1
1912 1 78 GLN HA 1 80 ALA H . . 4.720 3.981 3.800 4.151 . 0 0 "[ . 1 . 2]" 1
1913 1 78 GLN HA 1 81 HIS H . . 3.970 3.340 3.225 3.467 . 0 0 "[ . 1 . 2]" 1
1914 1 78 GLN HA 1 81 HIS HA . . 5.500 5.214 5.084 5.338 . 0 0 "[ . 1 . 2]" 1
1915 1 78 GLN HA 1 81 HIS HB2 . . 4.120 2.557 2.397 2.650 . 0 0 "[ . 1 . 2]" 1
1916 1 78 GLN HA 1 81 HIS HB3 . . 4.350 4.277 4.099 4.360 0.010 13 0 "[ . 1 . 2]" 1
1917 1 78 GLN HA 1 81 HIS HD2 . . 4.930 4.699 4.474 4.919 . 0 0 "[ . 1 . 2]" 1
1918 1 78 GLN QB 1 79 ASP H . . 3.830 3.225 3.179 3.267 . 0 0 "[ . 1 . 2]" 1
1919 1 78 GLN QB 1 79 ASP HA . . 4.710 4.218 4.161 4.267 . 0 0 "[ . 1 . 2]" 1
1920 1 78 GLN QB 1 79 ASP HB2 . . 5.380 5.228 5.171 5.273 . 0 0 "[ . 1 . 2]" 1
1921 1 78 GLN QB 1 80 ALA H . . 5.150 4.822 4.657 4.927 . 0 0 "[ . 1 . 2]" 1
1922 1 78 GLN QB 1 81 HIS H . . 5.080 4.917 4.806 5.016 . 0 0 "[ . 1 . 2]" 1
1923 1 78 GLN HG3 1 79 ASP H . . 4.040 1.974 1.910 2.041 . 0 0 "[ . 1 . 2]" 1
1924 1 78 GLN HG3 1 79 ASP HA . . 4.620 4.313 4.247 4.424 . 0 0 "[ . 1 . 2]" 1
1925 1 78 GLN HG3 1 79 ASP HB2 . . 5.010 3.948 3.865 4.053 . 0 0 "[ . 1 . 2]" 1
1926 1 79 ASP H 1 79 ASP HB2 . . 3.700 2.287 2.253 2.313 . 0 0 "[ . 1 . 2]" 1
1927 1 79 ASP H 1 79 ASP HB3 . . 3.870 3.555 3.537 3.567 . 0 0 "[ . 1 . 2]" 1
1928 1 79 ASP H 1 80 ALA H . . 3.440 2.919 2.854 2.961 . 0 0 "[ . 1 . 2]" 1
1929 1 79 ASP H 1 80 ALA MB . . 4.900 4.623 4.549 4.682 . 0 0 "[ . 1 . 2]" 1
1930 1 79 ASP HA 1 82 GLU H . . 4.200 3.983 3.900 4.079 . 0 0 "[ . 1 . 2]" 1
1931 1 79 ASP HA 1 82 GLU HB2 . . 4.020 2.731 2.587 2.843 . 0 0 "[ . 1 . 2]" 1
1932 1 79 ASP HA 1 82 GLU HB3 . . 5.020 4.085 3.919 4.240 . 0 0 "[ . 1 . 2]" 1
1933 1 79 ASP HA 1 82 GLU QG . . 4.330 3.160 2.721 3.785 . 0 0 "[ . 1 . 2]" 1
1934 1 79 ASP HB2 1 80 ALA H . . 3.680 2.909 2.839 3.068 . 0 0 "[ . 1 . 2]" 1
1935 1 79 ASP HB2 1 80 ALA MB . . 4.630 4.180 4.095 4.246 . 0 0 "[ . 1 . 2]" 1
1936 1 79 ASP HB2 1 81 HIS H . . 5.500 5.447 5.340 5.515 0.015 18 0 "[ . 1 . 2]" 1
1937 1 79 ASP HB3 1 80 ALA H . . 3.820 3.373 3.288 3.542 . 0 0 "[ . 1 . 2]" 1
1938 1 79 ASP HB3 1 80 ALA MB . . 4.760 4.236 4.116 4.317 . 0 0 "[ . 1 . 2]" 1
1939 1 80 ALA H 1 80 ALA MB . . 3.020 2.247 2.192 2.286 . 0 0 "[ . 1 . 2]" 1
1940 1 80 ALA H 1 81 HIS H . . 3.490 2.608 2.493 2.702 . 0 0 "[ . 1 . 2]" 1
1941 1 80 ALA H 1 81 HIS HB2 . . 4.760 4.680 4.527 4.752 . 0 0 "[ . 1 . 2]" 1
1942 1 80 ALA H 1 82 GLU H . . 4.360 3.532 3.454 3.608 . 0 0 "[ . 1 . 2]" 1
1943 1 80 ALA H 1 89 VAL MG1 . . 4.940 4.640 4.308 4.949 0.009 11 0 "[ . 1 . 2]" 1
1944 1 80 ALA H 1 92 ILE MG . . 4.950 4.677 4.415 4.903 . 0 0 "[ . 1 . 2]" 1
1945 1 80 ALA HA 1 83 ARG H . . 4.230 3.842 3.569 3.967 . 0 0 "[ . 1 . 2]" 1
1946 1 80 ALA HA 1 83 ARG HD3 . . 4.980 4.777 4.631 4.969 . 0 0 "[ . 1 . 2]" 1
1947 1 80 ALA HA 1 83 ARG HG2 . . 4.750 3.612 3.326 3.865 . 0 0 "[ . 1 . 2]" 1
1948 1 80 ALA HA 1 83 ARG HG3 . . 5.450 5.103 4.700 5.427 . 0 0 "[ . 1 . 2]" 1
1949 1 80 ALA HA 1 89 VAL MG1 . . 4.450 4.214 3.822 4.447 . 0 0 "[ . 1 . 2]" 1
1950 1 80 ALA MB 1 81 HIS H . . 3.450 2.235 2.155 2.347 . 0 0 "[ . 1 . 2]" 1
1951 1 80 ALA MB 1 81 HIS HA . . 4.400 3.763 3.711 3.785 . 0 0 "[ . 1 . 2]" 1
1952 1 80 ALA MB 1 81 HIS HB2 . . 4.980 4.376 4.294 4.428 . 0 0 "[ . 1 . 2]" 1
1953 1 80 ALA MB 1 82 GLU H . . 4.490 3.961 3.940 3.984 . 0 0 "[ . 1 . 2]" 1
1954 1 80 ALA MB 1 83 ARG H . . 5.300 5.004 4.739 5.113 . 0 0 "[ . 1 . 2]" 1
1955 1 80 ALA MB 1 89 VAL HA . . 4.090 2.444 2.263 2.740 . 0 0 "[ . 1 . 2]" 1
1956 1 80 ALA MB 1 89 VAL HB . . 4.950 4.080 3.658 4.415 . 0 0 "[ . 1 . 2]" 1
1957 1 80 ALA MB 1 89 VAL MG1 . . 2.940 2.037 1.753 2.296 . 0 0 "[ . 1 . 2]" 1
1958 1 80 ALA MB 1 89 VAL MG2 . . 3.600 2.279 1.839 2.652 . 0 0 "[ . 1 . 2]" 1
1959 1 80 ALA MB 1 92 ILE HB . . 4.020 3.022 2.922 3.166 . 0 0 "[ . 1 . 2]" 1
1960 1 80 ALA MB 1 93 VAL HA . . 5.090 5.107 5.070 5.146 0.056 13 0 "[ . 1 . 2]" 1
1961 1 81 HIS H 1 81 HIS HB2 . . 3.190 2.520 2.447 2.556 . 0 0 "[ . 1 . 2]" 1
1962 1 81 HIS H 1 81 HIS HB3 . . 3.660 3.591 3.586 3.595 . 0 0 "[ . 1 . 2]" 1
1963 1 81 HIS H 1 81 HIS HD2 . . 4.870 1.979 1.885 2.179 . 0 0 "[ . 1 . 2]" 1
1964 1 81 HIS H 1 82 GLU H . . 3.460 2.687 2.644 2.717 . 0 0 "[ . 1 . 2]" 1
1965 1 81 HIS H 1 82 GLU HB2 . . 4.840 4.651 4.571 4.775 . 0 0 "[ . 1 . 2]" 1
1966 1 81 HIS H 1 82 GLU QG . . 4.780 4.523 4.335 4.731 . 0 0 "[ . 1 . 2]" 1
1967 1 81 HIS H 1 89 VAL MG1 . . 3.870 3.328 3.108 3.615 . 0 0 "[ . 1 . 2]" 1
1968 1 81 HIS H 1 89 VAL MG2 . . 4.140 3.658 3.088 4.078 . 0 0 "[ . 1 . 2]" 1
1969 1 81 HIS HA 1 81 HIS HD2 . . 4.650 3.051 2.943 3.122 . 0 0 "[ . 1 . 2]" 1
1970 1 81 HIS HA 1 82 GLU HA . . 4.710 4.687 4.663 4.726 0.016 12 0 "[ . 1 . 2]" 1
1971 1 81 HIS HA 1 89 VAL MG1 . . 3.680 3.104 2.682 3.509 . 0 0 "[ . 1 . 2]" 1
1972 1 81 HIS HA 1 89 VAL MG2 . . 4.200 2.725 2.502 2.955 . 0 0 "[ . 1 . 2]" 1
1973 1 81 HIS HB2 1 82 GLU H . . 4.500 3.372 3.309 3.402 . 0 0 "[ . 1 . 2]" 1
1974 1 81 HIS HB2 1 82 GLU HA . . 5.390 4.469 4.418 4.562 . 0 0 "[ . 1 . 2]" 1
1975 1 81 HIS HB2 1 89 VAL MG2 . . 5.410 5.035 4.585 5.321 . 0 0 "[ . 1 . 2]" 1
1976 1 81 HIS HB3 1 82 GLU H . . 4.460 4.196 4.135 4.240 . 0 0 "[ . 1 . 2]" 1
1977 1 81 HIS HB3 1 82 GLU HA . . 5.280 4.671 4.586 4.728 . 0 0 "[ . 1 . 2]" 1
1978 1 81 HIS HB3 1 89 VAL MG2 . . 5.020 4.763 4.458 4.995 . 0 0 "[ . 1 . 2]" 1
1979 1 81 HIS HD2 1 89 VAL MG1 . . 4.510 1.973 1.866 2.160 . 0 0 "[ . 1 . 2]" 1
1980 1 81 HIS HD2 1 93 VAL MG2 . . 4.800 3.582 3.383 3.852 . 0 0 "[ . 1 . 2]" 1
1981 1 81 HIS HE1 1 89 VAL MG1 . . 4.240 4.001 3.717 4.243 0.003 18 0 "[ . 1 . 2]" 1
1982 1 81 HIS HE1 1 93 VAL MG2 . . 3.710 3.456 3.202 3.709 . 0 0 "[ . 1 . 2]" 1
1983 1 82 GLU H 1 82 GLU HB2 . . 3.820 2.247 2.197 2.303 . 0 0 "[ . 1 . 2]" 1
1984 1 82 GLU H 1 82 GLU HB3 . . 4.080 3.528 3.487 3.568 . 0 0 "[ . 1 . 2]" 1
1985 1 82 GLU H 1 82 GLU HG2 . . 4.150 3.137 2.802 3.908 . 0 0 "[ . 1 . 2]" 1
1986 1 82 GLU H 1 82 GLU QG . . 3.480 2.901 2.714 3.080 . 0 0 "[ . 1 . 2]" 1
1987 1 82 GLU H 1 82 GLU HG3 . . 4.150 3.723 3.014 4.106 . 0 0 "[ . 1 . 2]" 1
1988 1 82 GLU HA 1 82 GLU HG2 . . 3.860 2.548 2.166 2.881 . 0 0 "[ . 1 . 2]" 1
1989 1 82 GLU HA 1 82 GLU HG3 . . 3.860 3.554 3.067 3.696 . 0 0 "[ . 1 . 2]" 1
1990 1 82 GLU HA 1 83 ARG HD2 . . 5.500 4.217 3.968 4.323 . 0 0 "[ . 1 . 2]" 1
1991 1 82 GLU HB2 1 83 ARG H . . 4.110 2.350 2.215 2.581 . 0 0 "[ . 1 . 2]" 1
1992 1 82 GLU HB2 1 83 ARG HD2 . . 4.750 2.662 2.421 2.866 . 0 0 "[ . 1 . 2]" 1
1993 1 82 GLU HB3 1 83 ARG H . . 3.360 2.849 2.656 3.227 . 0 0 "[ . 1 . 2]" 1
1994 1 82 GLU HB3 1 83 ARG HD2 . . 4.190 2.100 1.992 2.302 . 0 0 "[ . 1 . 2]" 1
1995 1 82 GLU HB3 1 83 ARG HD3 . . 4.770 2.947 2.743 3.130 . 0 0 "[ . 1 . 2]" 1
1996 1 82 GLU HB3 1 83 ARG HG2 . . 4.870 4.169 3.975 4.324 . 0 0 "[ . 1 . 2]" 1
1997 1 82 GLU QG 1 83 ARG H . . 5.010 4.073 3.979 4.224 . 0 0 "[ . 1 . 2]" 1
1998 1 83 ARG H 1 83 ARG HB3 . . 3.530 3.315 3.225 3.425 . 0 0 "[ . 1 . 2]" 1
1999 1 83 ARG H 1 83 ARG HD2 . . 4.110 2.237 2.040 2.601 . 0 0 "[ . 1 . 2]" 1
2000 1 83 ARG H 1 83 ARG HD3 . . 4.880 2.623 2.523 2.909 . 0 0 "[ . 1 . 2]" 1
2001 1 83 ARG H 1 83 ARG HG2 . . 3.820 1.935 1.882 2.067 . 0 0 "[ . 1 . 2]" 1
2002 1 83 ARG H 1 83 ARG HG3 . . 3.870 3.431 3.355 3.537 . 0 0 "[ . 1 . 2]" 1
2003 1 83 ARG H 1 84 SER H . . 3.710 2.425 2.182 2.733 . 0 0 "[ . 1 . 2]" 1
2004 1 83 ARG HA 1 83 ARG HD2 . . 3.890 3.288 3.239 3.352 . 0 0 "[ . 1 . 2]" 1
2005 1 83 ARG HA 1 83 ARG HD3 . . 4.820 4.670 4.625 4.708 . 0 0 "[ . 1 . 2]" 1
2006 1 83 ARG HB2 1 84 SER H . . 3.900 2.808 2.368 3.181 . 0 0 "[ . 1 . 2]" 1
2007 1 83 ARG HB2 1 84 SER QB . . 5.040 4.466 4.234 4.703 . 0 0 "[ . 1 . 2]" 1
2008 1 83 ARG HB3 1 84 SER H . . 4.610 3.835 3.610 3.999 . 0 0 "[ . 1 . 2]" 1
2009 1 83 ARG HD2 1 84 SER H . . 5.290 4.049 3.867 4.189 . 0 0 "[ . 1 . 2]" 1
2010 1 83 ARG HD3 1 84 SER H . . 5.500 4.011 3.811 4.156 . 0 0 "[ . 1 . 2]" 1
2011 1 83 ARG HG2 1 84 SER H . . 4.920 1.860 1.837 1.885 . 0 0 "[ . 1 . 2]" 1
2012 1 83 ARG HG2 1 84 SER HA . . 5.440 4.321 4.091 4.531 . 0 0 "[ . 1 . 2]" 1
2013 1 83 ARG HG2 1 84 SER QB . . 4.830 3.484 3.391 3.692 . 0 0 "[ . 1 . 2]" 1
2014 1 83 ARG HG3 1 84 SER H . . 4.780 3.205 2.853 3.483 . 0 0 "[ . 1 . 2]" 1
2015 1 84 SER H 1 84 SER HB2 . . 4.010 2.476 2.257 3.603 . 0 0 "[ . 1 . 2]" 1
2016 1 84 SER H 1 84 SER HB3 . . 4.010 2.790 2.217 3.584 . 0 0 "[ . 1 . 2]" 1
2017 1 84 SER H 1 85 ASP H . . 4.800 4.635 4.599 4.649 . 0 0 "[ . 1 . 2]" 1
2018 1 84 SER H 1 89 VAL MG2 . . 5.070 4.123 3.965 4.507 . 0 0 "[ . 1 . 2]" 1
2019 1 84 SER HA 1 85 ASP H . . 3.560 2.291 2.215 2.373 . 0 0 "[ . 1 . 2]" 1
2020 1 84 SER HA 1 89 VAL MG2 . . 4.680 3.778 3.573 4.208 . 0 0 "[ . 1 . 2]" 1
2021 1 84 SER QB 1 85 ASP H . . 4.070 3.318 2.641 3.585 . 0 0 "[ . 1 . 2]" 1
2022 1 84 SER QB 1 89 VAL HB . . 5.220 4.605 4.353 5.253 0.033 18 0 "[ . 1 . 2]" 1
2023 1 84 SER HB2 1 89 VAL MG2 . . 3.710 3.167 2.473 3.657 . 0 0 "[ . 1 . 2]" 1
2024 1 84 SER HB3 1 89 VAL MG2 . . 3.710 2.100 1.791 3.639 . 0 0 "[ . 1 . 2]" 1
2025 1 85 ASP H 1 85 ASP HB2 . . 4.110 2.444 2.256 2.849 . 0 0 "[ . 1 . 2]" 1
2026 1 85 ASP H 1 85 ASP QB . . 3.560 2.323 2.231 2.560 . 0 0 "[ . 1 . 2]" 1
2027 1 85 ASP H 1 85 ASP HB3 . . 4.110 3.322 2.404 3.676 . 0 0 "[ . 1 . 2]" 1
2028 1 85 ASP H 1 88 GLU H . . 4.260 3.271 3.045 3.432 . 0 0 "[ . 1 . 2]" 1
2029 1 85 ASP H 1 88 GLU QG . . 4.940 4.170 3.533 4.518 . 0 0 "[ . 1 . 2]" 1
2030 1 85 ASP H 1 89 VAL MG2 . . 5.010 3.168 2.902 3.672 . 0 0 "[ . 1 . 2]" 1
2031 1 85 ASP QB 1 87 GLU QB . . 4.220 3.088 2.599 3.838 . 0 0 "[ . 1 . 2]" 1
2032 1 85 ASP QB 1 88 GLU H . . 4.840 3.144 2.982 3.300 . 0 0 "[ . 1 . 2]" 1
2033 1 85 ASP QB 1 88 GLU HB2 . . 4.400 3.751 3.700 3.811 . 0 0 "[ . 1 . 2]" 1
2034 1 85 ASP QB 1 88 GLU HB3 . . 5.340 5.356 5.341 5.383 0.043 1 0 "[ . 1 . 2]" 1
2035 1 85 ASP HB2 1 89 VAL MG2 . . 4.960 4.561 4.340 4.943 . 0 0 "[ . 1 . 2]" 1
2036 1 85 ASP HB3 1 89 VAL MG2 . . 4.960 4.521 4.305 4.867 . 0 0 "[ . 1 . 2]" 1
2037 1 86 SER H 1 86 SER HB2 . . 3.870 3.395 2.456 3.630 . 0 0 "[ . 1 . 2]" 1
2038 1 86 SER H 1 86 SER QB . . 3.330 2.351 2.218 2.688 . 0 0 "[ . 1 . 2]" 1
2039 1 86 SER H 1 86 SER HB3 . . 3.870 2.467 2.242 3.595 . 0 0 "[ . 1 . 2]" 1
2040 1 86 SER H 1 89 VAL MG1 . . 5.370 5.337 5.176 5.405 0.035 18 0 "[ . 1 . 2]" 1
2041 1 86 SER H 1 89 VAL MG2 . . 4.150 3.376 3.041 3.668 . 0 0 "[ . 1 . 2]" 1
2042 1 86 SER HA 1 87 GLU HA . . 4.990 4.786 4.757 4.824 . 0 0 "[ . 1 . 2]" 1
2043 1 86 SER HA 1 89 VAL HB . . 4.130 2.402 2.236 2.563 . 0 0 "[ . 1 . 2]" 1
2044 1 86 SER HA 1 89 VAL MG1 . . 4.200 3.704 3.533 3.876 . 0 0 "[ . 1 . 2]" 1
2045 1 86 SER HA 1 89 VAL MG2 . . 4.440 2.794 2.151 3.061 . 0 0 "[ . 1 . 2]" 1
2046 1 86 SER QB 1 87 GLU QB . . 5.180 4.794 4.056 5.183 0.003 9 0 "[ . 1 . 2]" 1
2047 1 86 SER QB 1 89 VAL HB . . 4.650 4.240 4.041 4.551 . 0 0 "[ . 1 . 2]" 1
2048 1 86 SER QB 1 89 VAL MG2 . . 4.380 4.200 3.702 4.376 . 0 0 "[ . 1 . 2]" 1
2049 1 86 SER HB2 1 89 VAL HB . . 5.500 4.641 4.348 5.327 . 0 0 "[ . 1 . 2]" 1
2050 1 86 SER HB2 1 89 VAL MG2 . . 5.160 4.856 4.181 5.166 0.006 6 0 "[ . 1 . 2]" 1
2051 1 86 SER HB3 1 89 VAL HB . . 5.500 4.935 4.596 5.451 . 0 0 "[ . 1 . 2]" 1
2052 1 86 SER HB3 1 89 VAL MG2 . . 5.160 4.627 4.021 4.926 . 0 0 "[ . 1 . 2]" 1
2053 1 87 GLU HA 1 87 GLU QG . . 3.400 2.684 2.190 3.417 0.017 2 0 "[ . 1 . 2]" 1
2054 1 87 GLU HA 1 90 SER H . . 4.110 3.925 3.588 4.124 0.014 2 0 "[ . 1 . 2]" 1
2055 1 87 GLU HA 1 90 SER HB2 . . 4.410 3.673 2.898 4.416 0.006 8 0 "[ . 1 . 2]" 1
2056 1 87 GLU HA 1 90 SER QB . . 3.750 3.269 2.829 3.582 . 0 0 "[ . 1 . 2]" 1
2057 1 87 GLU HA 1 90 SER HB3 . . 4.410 3.803 2.863 4.441 0.031 17 0 "[ . 1 . 2]" 1
2058 1 87 GLU QB 1 87 GLU QG . . 2.340 2.043 1.964 2.086 . 0 0 "[ . 1 . 2]" 1
2059 1 87 GLU QB 1 88 GLU H . . 3.590 2.360 1.980 3.257 . 0 0 "[ . 1 . 2]" 1
2060 1 87 GLU QG 1 88 GLU H . . 4.960 3.226 1.760 4.219 . 0 0 "[ . 1 . 2]" 1
2061 1 88 GLU H 1 88 GLU HG2 . . 4.400 3.915 2.519 4.293 . 0 0 "[ . 1 . 2]" 1
2062 1 88 GLU H 1 88 GLU QG . . 3.790 3.111 2.477 3.610 . 0 0 "[ . 1 . 2]" 1
2063 1 88 GLU H 1 88 GLU HG3 . . 4.400 3.437 2.660 4.139 . 0 0 "[ . 1 . 2]" 1
2064 1 88 GLU H 1 90 SER H . . 4.710 4.186 3.871 4.459 . 0 0 "[ . 1 . 2]" 1
2065 1 88 GLU HA 1 88 GLU HG2 . . 3.890 3.064 2.394 3.629 . 0 0 "[ . 1 . 2]" 1
2066 1 88 GLU HA 1 88 GLU QG . . 3.280 2.328 2.153 2.940 . 0 0 "[ . 1 . 2]" 1
2067 1 88 GLU HA 1 88 GLU HG3 . . 3.890 2.583 2.174 3.706 . 0 0 "[ . 1 . 2]" 1
2068 1 88 GLU HA 1 89 VAL HA . . 5.010 4.836 4.760 4.901 . 0 0 "[ . 1 . 2]" 1
2069 1 88 GLU HA 1 89 VAL MG2 . . 5.500 4.867 4.720 5.024 . 0 0 "[ . 1 . 2]" 1
2070 1 88 GLU HA 1 91 PHE H . . 4.120 3.661 3.371 3.902 . 0 0 "[ . 1 . 2]" 1
2071 1 88 GLU HA 1 91 PHE HB3 . . 4.780 3.954 3.608 4.287 . 0 0 "[ . 1 . 2]" 1
2072 1 88 GLU HA 1 91 PHE QD . . 5.430 5.243 4.856 5.438 0.008 9 0 "[ . 1 . 2]" 1
2073 1 88 GLU HA 1 92 ILE H . . 5.250 5.010 4.834 5.270 0.020 1 0 "[ . 1 . 2]" 1
2074 1 88 GLU HB2 1 89 VAL MG2 . . 3.720 3.454 3.242 3.722 0.002 13 0 "[ . 1 . 2]" 1
2075 1 88 GLU HB3 1 91 PHE H . . 5.500 5.234 4.912 5.502 0.002 1 0 "[ . 1 . 2]" 1
2076 1 89 VAL H 1 89 VAL HB . . 3.720 2.669 2.516 2.772 . 0 0 "[ . 1 . 2]" 1
2077 1 89 VAL H 1 89 VAL MG1 . . 4.330 3.757 3.739 3.768 . 0 0 "[ . 1 . 2]" 1
2078 1 89 VAL H 1 89 VAL MG2 . . 3.470 1.974 1.848 2.348 . 0 0 "[ . 1 . 2]" 1
2079 1 89 VAL H 1 90 SER H . . 3.710 2.736 2.515 2.892 . 0 0 "[ . 1 . 2]" 1
2080 1 89 VAL HA 1 89 VAL MG1 . . 3.340 2.319 2.179 2.455 . 0 0 "[ . 1 . 2]" 1
2081 1 89 VAL HA 1 89 VAL MG2 . . 3.130 2.443 2.283 2.524 . 0 0 "[ . 1 . 2]" 1
2082 1 89 VAL HA 1 92 ILE H . . 4.310 3.564 3.300 3.726 . 0 0 "[ . 1 . 2]" 1
2083 1 89 VAL HA 1 92 ILE HB . . 3.830 3.140 2.934 3.304 . 0 0 "[ . 1 . 2]" 1
2084 1 89 VAL HA 1 92 ILE HG12 . . 4.470 3.372 3.135 3.622 . 0 0 "[ . 1 . 2]" 1
2085 1 89 VAL HA 1 93 VAL H . . 4.880 3.731 3.559 3.879 . 0 0 "[ . 1 . 2]" 1
2086 1 89 VAL HB 1 90 SER H . . 3.480 2.656 2.415 2.990 . 0 0 "[ . 1 . 2]" 1
2087 1 89 VAL HB 1 90 SER HA . . 4.560 4.091 3.969 4.210 . 0 0 "[ . 1 . 2]" 1
2088 1 89 VAL HB 1 91 PHE H . . 5.500 5.123 4.849 5.315 . 0 0 "[ . 1 . 2]" 1
2089 1 89 VAL MG1 1 90 SER H . . 4.010 3.634 3.336 3.901 . 0 0 "[ . 1 . 2]" 1
2090 1 89 VAL MG1 1 90 SER HA . . 4.030 3.749 3.404 3.997 . 0 0 "[ . 1 . 2]" 1
2091 1 89 VAL MG1 1 92 ILE H . . 5.190 4.570 4.170 4.809 . 0 0 "[ . 1 . 2]" 1
2092 1 89 VAL MG1 1 92 ILE HB . . 4.380 3.465 3.148 3.793 . 0 0 "[ . 1 . 2]" 1
2093 1 89 VAL MG1 1 92 ILE HG12 . . 5.030 4.700 4.474 5.000 . 0 0 "[ . 1 . 2]" 1
2094 1 89 VAL MG1 1 93 VAL H . . 4.010 3.197 2.686 3.544 . 0 0 "[ . 1 . 2]" 1
2095 1 89 VAL MG1 1 93 VAL MG2 . . 2.980 1.805 1.699 1.936 . 0 0 "[ . 1 . 2]" 1
2096 1 89 VAL MG2 1 90 SER H . . 4.180 3.749 3.615 3.884 . 0 0 "[ . 1 . 2]" 1
2097 1 89 VAL MG2 1 91 PHE H . . 5.500 5.360 5.023 5.494 . 0 0 "[ . 1 . 2]" 1
2098 1 89 VAL MG2 1 92 ILE H . . 5.500 5.413 5.151 5.509 0.009 11 0 "[ . 1 . 2]" 1
2099 1 89 VAL MG2 1 92 ILE HB . . 5.290 4.843 4.422 5.017 . 0 0 "[ . 1 . 2]" 1
2100 1 89 VAL MG2 1 93 VAL H . . 5.440 5.286 5.063 5.450 0.010 15 0 "[ . 1 . 2]" 1
2101 1 90 SER H 1 90 SER HB2 . . 3.640 2.479 2.196 3.523 . 0 0 "[ . 1 . 2]" 1
2102 1 90 SER H 1 90 SER QB . . 3.080 2.237 2.144 2.269 . 0 0 "[ . 1 . 2]" 1
2103 1 90 SER H 1 90 SER HB3 . . 3.640 2.693 2.229 3.511 . 0 0 "[ . 1 . 2]" 1
2104 1 90 SER H 1 91 PHE H . . 3.580 2.861 2.702 3.070 . 0 0 "[ . 1 . 2]" 1
2105 1 90 SER H 1 91 PHE HB2 . . 5.350 5.145 4.933 5.366 0.016 19 0 "[ . 1 . 2]" 1
2106 1 90 SER H 1 92 ILE H . . 5.050 4.740 4.598 5.002 . 0 0 "[ . 1 . 2]" 1
2107 1 90 SER H 1 93 VAL MG2 . . 4.650 4.107 3.848 4.269 . 0 0 "[ . 1 . 2]" 1
2108 1 90 SER HA 1 93 VAL HA . . 5.500 5.449 5.332 5.524 0.024 5 0 "[ . 1 . 2]" 1
2109 1 90 SER HA 1 93 VAL HB . . 3.420 2.595 2.474 2.720 . 0 0 "[ . 1 . 2]" 1
2110 1 90 SER HA 1 93 VAL MG1 . . 4.060 3.687 3.538 3.825 . 0 0 "[ . 1 . 2]" 1
2111 1 90 SER HA 1 93 VAL MG2 . . 3.380 2.970 2.537 3.255 . 0 0 "[ . 1 . 2]" 1
2112 1 90 SER QB 1 91 PHE H . . 3.780 2.571 2.350 3.416 . 0 0 "[ . 1 . 2]" 1
2113 1 91 PHE H 1 91 PHE HB2 . . 3.190 2.436 2.328 2.654 . 0 0 "[ . 1 . 2]" 1
2114 1 91 PHE H 1 91 PHE HB3 . . 3.660 2.636 2.465 2.755 . 0 0 "[ . 1 . 2]" 1
2115 1 91 PHE H 1 91 PHE QD . . 4.240 4.133 4.064 4.195 . 0 0 "[ . 1 . 2]" 1
2116 1 91 PHE H 1 92 ILE H . . 3.590 2.921 2.622 3.094 . 0 0 "[ . 1 . 2]" 1
2117 1 91 PHE H 1 92 ILE HB . . 5.500 5.071 4.711 5.192 . 0 0 "[ . 1 . 2]" 1
2118 1 91 PHE H 1 92 ILE MD . . 4.900 4.839 4.566 4.926 0.026 17 0 "[ . 1 . 2]" 1
2119 1 91 PHE H 1 92 ILE HG12 . . 5.100 4.561 4.344 4.910 . 0 0 "[ . 1 . 2]" 1
2120 1 91 PHE H 1 93 VAL H . . 4.900 4.279 4.023 4.472 . 0 0 "[ . 1 . 2]" 1
2121 1 91 PHE H 1 93 VAL MG2 . . 5.500 4.977 4.751 5.193 . 0 0 "[ . 1 . 2]" 1
2122 1 91 PHE H 1 94 GLN HG2 . . 5.500 5.063 4.669 5.306 . 0 0 "[ . 1 . 2]" 1
2123 1 91 PHE HA 1 91 PHE QD . . 3.560 2.247 2.066 2.546 . 0 0 "[ . 1 . 2]" 1
2124 1 91 PHE HA 1 91 PHE QE . . 5.150 4.374 4.263 4.552 . 0 0 "[ . 1 . 2]" 1
2125 1 91 PHE HA 1 94 GLN H . . 4.200 3.954 3.742 4.082 . 0 0 "[ . 1 . 2]" 1
2126 1 91 PHE HA 1 94 GLN HB2 . . 3.910 3.703 3.399 3.902 . 0 0 "[ . 1 . 2]" 1
2127 1 91 PHE HA 1 94 GLN HG2 . . 4.570 3.537 2.849 4.103 . 0 0 "[ . 1 . 2]" 1
2128 1 91 PHE HA 1 94 GLN HG3 . . 4.620 3.474 3.028 4.231 . 0 0 "[ . 1 . 2]" 1
2129 1 91 PHE HA 1 95 LEU H . . 5.500 5.116 4.791 5.311 . 0 0 "[ . 1 . 2]" 1
2130 1 91 PHE HB2 1 92 ILE H . . 3.730 3.577 3.451 3.744 0.014 17 0 "[ . 1 . 2]" 1
2131 1 91 PHE HB2 1 92 ILE MD . . 5.070 4.355 4.134 4.701 . 0 0 "[ . 1 . 2]" 1
2132 1 91 PHE HB3 1 92 ILE H . . 3.750 2.132 1.952 2.325 . 0 0 "[ . 1 . 2]" 1
2133 1 91 PHE HB3 1 92 ILE MD . . 4.180 2.873 2.643 3.351 . 0 0 "[ . 1 . 2]" 1
2134 1 91 PHE HB3 1 92 ILE HG13 . . 5.500 4.870 4.770 5.087 . 0 0 "[ . 1 . 2]" 1
2135 1 91 PHE HB3 1 95 LEU MD1 . . 4.900 4.420 4.083 4.694 . 0 0 "[ . 1 . 2]" 1
2136 1 91 PHE QD 1 92 ILE H . . 4.390 3.458 3.274 3.669 . 0 0 "[ . 1 . 2]" 1
2137 1 91 PHE QD 1 92 ILE HB . . 5.470 5.370 4.907 5.467 . 0 0 "[ . 1 . 2]" 1
2138 1 91 PHE QD 1 92 ILE MD . . 3.790 2.074 1.953 2.381 . 0 0 "[ . 1 . 2]" 1
2139 1 91 PHE QD 1 92 ILE HG12 . . 4.310 3.679 3.158 3.940 . 0 0 "[ . 1 . 2]" 1
2140 1 91 PHE QD 1 92 ILE HG13 . . 4.990 4.753 4.396 4.930 . 0 0 "[ . 1 . 2]" 1
2141 1 91 PHE QD 1 94 GLN HB2 . . 5.020 4.596 4.343 4.908 . 0 0 "[ . 1 . 2]" 1
2142 1 91 PHE QD 1 95 LEU MD1 . . 4.400 3.487 3.007 3.661 . 0 0 "[ . 1 . 2]" 1
2143 1 91 PHE QE 1 92 ILE MD . . 4.340 3.414 2.965 3.648 . 0 0 "[ . 1 . 2]" 1
2144 1 91 PHE QE 1 95 LEU MD1 . . 3.890 3.336 2.874 3.630 . 0 0 "[ . 1 . 2]" 1
2145 1 92 ILE H 1 92 ILE HB . . 3.340 2.630 2.488 2.723 . 0 0 "[ . 1 . 2]" 1
2146 1 92 ILE H 1 92 ILE MD . . 3.630 2.594 2.327 2.901 . 0 0 "[ . 1 . 2]" 1
2147 1 92 ILE H 1 92 ILE HG12 . . 3.600 2.114 1.950 2.310 . 0 0 "[ . 1 . 2]" 1
2148 1 92 ILE H 1 92 ILE HG13 . . 3.780 3.629 3.519 3.780 . 0 0 "[ . 1 . 2]" 1
2149 1 92 ILE H 1 92 ILE MG . . 4.050 3.761 3.756 3.765 . 0 0 "[ . 1 . 2]" 1
2150 1 92 ILE H 1 93 VAL H . . 3.620 2.870 2.747 2.958 . 0 0 "[ . 1 . 2]" 1
2151 1 92 ILE H 1 93 VAL HB . . 4.980 4.781 4.659 4.905 . 0 0 "[ . 1 . 2]" 1
2152 1 92 ILE H 1 93 VAL MG2 . . 4.810 4.607 4.380 4.784 . 0 0 "[ . 1 . 2]" 1
2153 1 92 ILE H 1 94 GLN H . . 5.330 4.425 4.274 4.572 . 0 0 "[ . 1 . 2]" 1
2154 1 92 ILE HA 1 92 ILE MD . . 3.180 1.997 1.925 2.080 . 0 0 "[ . 1 . 2]" 1
2155 1 92 ILE HA 1 92 ILE HG12 . . 4.100 3.306 3.207 3.395 . 0 0 "[ . 1 . 2]" 1
2156 1 92 ILE HA 1 92 ILE MG . . 3.280 2.334 2.224 2.445 . 0 0 "[ . 1 . 2]" 1
2157 1 92 ILE HA 1 95 LEU H . . 3.750 3.347 3.249 3.434 . 0 0 "[ . 1 . 2]" 1
2158 1 92 ILE HA 1 95 LEU HA . . 5.500 5.484 5.421 5.521 0.021 13 0 "[ . 1 . 2]" 1
2159 1 92 ILE HA 1 95 LEU HB2 . . 3.800 2.859 2.769 2.947 . 0 0 "[ . 1 . 2]" 1
2160 1 92 ILE HA 1 95 LEU HB3 . . 4.760 4.508 4.405 4.586 . 0 0 "[ . 1 . 2]" 1
2161 1 92 ILE HA 1 95 LEU MD1 . . 3.910 2.190 1.968 2.433 . 0 0 "[ . 1 . 2]" 1
2162 1 92 ILE HA 1 95 LEU MD2 . . 4.130 3.889 3.755 4.060 . 0 0 "[ . 1 . 2]" 1
2163 1 92 ILE HA 1 96 VAL MG1 . . 5.340 4.503 4.307 4.656 . 0 0 "[ . 1 . 2]" 1
2164 1 92 ILE HB 1 93 VAL H . . 3.160 2.343 2.217 2.508 . 0 0 "[ . 1 . 2]" 1
2165 1 92 ILE HB 1 93 VAL MG2 . . 4.020 3.606 3.450 3.738 . 0 0 "[ . 1 . 2]" 1
2166 1 92 ILE MD 1 93 VAL H . . 4.950 4.406 4.295 4.498 . 0 0 "[ . 1 . 2]" 1
2167 1 92 ILE MD 1 95 LEU H . . 4.970 4.736 4.541 4.871 . 0 0 "[ . 1 . 2]" 1
2168 1 92 ILE MD 1 95 LEU MD1 . . 3.700 2.843 2.646 2.967 . 0 0 "[ . 1 . 2]" 1
2169 1 92 ILE MD 1 95 LEU MD2 . . 4.210 3.550 3.297 3.703 . 0 0 "[ . 1 . 2]" 1
2170 1 92 ILE HG12 1 92 ILE MG . . 3.610 3.161 3.130 3.182 . 0 0 "[ . 1 . 2]" 1
2171 1 92 ILE HG12 1 93 VAL H . . 5.480 4.051 3.978 4.258 . 0 0 "[ . 1 . 2]" 1
2172 1 92 ILE HG13 1 92 ILE MG . . 2.950 2.178 2.043 2.298 . 0 0 "[ . 1 . 2]" 1
2173 1 92 ILE MG 1 93 VAL H . . 4.190 3.354 3.141 3.563 . 0 0 "[ . 1 . 2]" 1
2174 1 92 ILE MG 1 93 VAL HA . . 4.130 3.615 3.399 3.786 . 0 0 "[ . 1 . 2]" 1
2175 1 92 ILE MG 1 94 GLN H . . 5.170 4.868 4.673 5.041 . 0 0 "[ . 1 . 2]" 1
2176 1 92 ILE MG 1 95 LEU H . . 4.300 4.066 3.923 4.303 0.003 9 0 "[ . 1 . 2]" 1
2177 1 92 ILE MG 1 95 LEU MD1 . . 4.560 3.526 3.323 3.850 . 0 0 "[ . 1 . 2]" 1
2178 1 92 ILE MG 1 95 LEU MD2 . . 5.070 4.054 3.851 4.377 . 0 0 "[ . 1 . 2]" 1
2179 1 93 VAL H 1 93 VAL HB . . 3.110 2.472 2.415 2.535 . 0 0 "[ . 1 . 2]" 1
2180 1 93 VAL H 1 93 VAL MG1 . . 3.850 3.763 3.744 3.776 . 0 0 "[ . 1 . 2]" 1
2181 1 93 VAL H 1 93 VAL MG2 . . 3.020 2.378 2.147 2.502 . 0 0 "[ . 1 . 2]" 1
2182 1 93 VAL H 1 94 GLN H . . 3.590 3.028 2.947 3.123 . 0 0 "[ . 1 . 2]" 1
2183 1 93 VAL H 1 95 LEU H . . 4.790 4.440 4.373 4.523 . 0 0 "[ . 1 . 2]" 1
2184 1 93 VAL HA 1 93 VAL MG1 . . 2.840 2.548 2.460 2.575 . 0 0 "[ . 1 . 2]" 1
2185 1 93 VAL HA 1 93 VAL MG2 . . 3.000 2.192 2.103 2.284 . 0 0 "[ . 1 . 2]" 1
2186 1 93 VAL HA 1 94 GLN HA . . 5.150 4.842 4.818 4.868 . 0 0 "[ . 1 . 2]" 1
2187 1 93 VAL HA 1 96 VAL MG1 . . 2.920 1.915 1.832 1.986 . 0 0 "[ . 1 . 2]" 1
2188 1 93 VAL HA 1 97 ARG H . . 4.480 4.048 3.876 4.140 . 0 0 "[ . 1 . 2]" 1
2189 1 93 VAL HB 1 94 GLN H . . 3.260 2.577 2.406 2.702 . 0 0 "[ . 1 . 2]" 1
2190 1 93 VAL MG1 1 94 GLN H . . 3.650 2.923 2.791 3.049 . 0 0 "[ . 1 . 2]" 1
2191 1 93 VAL MG1 1 94 GLN HA . . 3.950 2.975 2.907 3.072 . 0 0 "[ . 1 . 2]" 1
2192 1 93 VAL MG1 1 94 GLN HB3 . . 5.140 4.930 4.812 5.044 . 0 0 "[ . 1 . 2]" 1
2193 1 93 VAL MG1 1 94 GLN HG2 . . 4.430 3.571 3.082 4.150 . 0 0 "[ . 1 . 2]" 1
2194 1 93 VAL MG1 1 94 GLN HG3 . . 5.260 4.919 4.662 5.139 . 0 0 "[ . 1 . 2]" 1
2195 1 93 VAL MG1 1 95 LEU H . . 4.800 4.732 4.603 4.807 0.007 17 0 "[ . 1 . 2]" 1
2196 1 93 VAL MG1 1 96 VAL H . . 5.500 5.249 5.117 5.360 . 0 0 "[ . 1 . 2]" 1
2197 1 93 VAL MG1 1 97 ARG H . . 4.560 4.078 3.867 4.184 . 0 0 "[ . 1 . 2]" 1
2198 1 93 VAL MG1 1 97 ARG HB2 . . 3.750 3.525 3.354 3.722 . 0 0 "[ . 1 . 2]" 1
2199 1 93 VAL MG1 1 97 ARG HB3 . . 4.260 3.437 3.217 3.531 . 0 0 "[ . 1 . 2]" 1
2200 1 93 VAL MG1 1 97 ARG QD . . 3.700 3.469 3.200 3.602 . 0 0 "[ . 1 . 2]" 1
2201 1 93 VAL MG1 1 97 ARG HG2 . . 5.370 5.022 4.771 5.316 . 0 0 "[ . 1 . 2]" 1
2202 1 93 VAL MG1 1 98 LYS H . . 5.500 5.271 5.041 5.381 . 0 0 "[ . 1 . 2]" 1
2203 1 93 VAL MG2 1 97 ARG H . . 5.500 5.493 5.329 5.524 0.024 6 0 "[ . 1 . 2]" 1
2204 1 94 GLN H 1 94 GLN HB2 . . 3.350 2.551 2.513 2.596 . 0 0 "[ . 1 . 2]" 1
2205 1 94 GLN H 1 94 GLN HB3 . . 3.720 3.591 3.588 3.597 . 0 0 "[ . 1 . 2]" 1
2206 1 94 GLN H 1 94 GLN HG2 . . 3.780 2.168 2.010 2.380 . 0 0 "[ . 1 . 2]" 1
2207 1 94 GLN H 1 94 GLN HG3 . . 3.930 3.443 3.219 3.801 . 0 0 "[ . 1 . 2]" 1
2208 1 94 GLN H 1 95 LEU HB2 . . 5.030 4.804 4.711 4.897 . 0 0 "[ . 1 . 2]" 1
2209 1 94 GLN HA 1 94 GLN HG2 . . 3.820 2.976 2.700 3.362 . 0 0 "[ . 1 . 2]" 1
2210 1 94 GLN HA 1 94 GLN HG3 . . 3.910 3.727 3.564 3.813 . 0 0 "[ . 1 . 2]" 1
2211 1 94 GLN HA 1 95 LEU HA . . 4.890 4.776 4.749 4.802 . 0 0 "[ . 1 . 2]" 1
2212 1 94 GLN HA 1 97 ARG HB3 . . 3.460 2.911 2.764 3.102 . 0 0 "[ . 1 . 2]" 1
2213 1 94 GLN HA 1 97 ARG QD . . 4.440 3.658 3.160 4.041 . 0 0 "[ . 1 . 2]" 1
2214 1 94 GLN HA 1 98 LYS HD2 . . 4.060 3.494 3.249 3.776 . 0 0 "[ . 1 . 2]" 1
2215 1 94 GLN HA 1 98 LYS HE2 . . 5.500 4.949 4.599 5.508 0.008 1 0 "[ . 1 . 2]" 1
2216 1 94 GLN HA 1 98 LYS QE . . 4.660 4.355 4.141 4.473 . 0 0 "[ . 1 . 2]" 1
2217 1 94 GLN HA 1 98 LYS HE3 . . 5.500 4.956 4.282 5.523 0.023 2 0 "[ . 1 . 2]" 1
2218 1 94 GLN HB2 1 95 LEU H . . 3.520 2.517 2.455 2.606 . 0 0 "[ . 1 . 2]" 1
2219 1 94 GLN HB2 1 95 LEU HA . . 4.840 4.272 4.214 4.348 . 0 0 "[ . 1 . 2]" 1
2220 1 94 GLN HB2 1 95 LEU HB2 . . 5.500 4.597 4.524 4.685 . 0 0 "[ . 1 . 2]" 1
2221 1 94 GLN HB2 1 95 LEU MD1 . . 3.950 2.896 2.837 2.982 . 0 0 "[ . 1 . 2]" 1
2222 1 94 GLN HB2 1 96 VAL H . . 5.500 5.466 5.384 5.515 0.015 13 0 "[ . 1 . 2]" 1
2223 1 94 GLN HB2 1 98 LYS H . . 5.500 5.518 5.482 5.551 0.051 18 0 "[ . 1 . 2]" 1
2224 1 94 GLN HB2 1 98 LYS HD2 . . 4.040 3.528 3.425 3.610 . 0 0 "[ . 1 . 2]" 1
2225 1 94 GLN HB2 1 98 LYS QE . . 4.380 4.027 3.794 4.200 . 0 0 "[ . 1 . 2]" 1
2226 1 94 GLN HB3 1 95 LEU H . . 3.800 3.576 3.512 3.624 . 0 0 "[ . 1 . 2]" 1
2227 1 94 GLN HB3 1 95 LEU MD1 . . 4.610 4.026 3.889 4.140 . 0 0 "[ . 1 . 2]" 1
2228 1 94 GLN HB3 1 98 LYS HD2 . . 4.940 2.348 2.152 2.571 . 0 0 "[ . 1 . 2]" 1
2229 1 94 GLN HB3 1 98 LYS HE2 . . 4.470 3.444 2.479 4.247 . 0 0 "[ . 1 . 2]" 1
2230 1 94 GLN HB3 1 98 LYS QE . . 3.890 2.653 2.453 2.800 . 0 0 "[ . 1 . 2]" 1
2231 1 94 GLN HB3 1 98 LYS HE3 . . 4.470 3.127 2.626 4.049 . 0 0 "[ . 1 . 2]" 1
2232 1 94 GLN QE 1 97 ARG QD . . 4.370 3.698 3.235 4.251 . 0 0 "[ . 1 . 2]" 1
2233 1 94 GLN HE21 1 97 ARG QD . . 4.990 4.291 3.487 4.793 . 0 0 "[ . 1 . 2]" 1
2234 1 94 GLN HE22 1 97 ARG QD . . 4.990 4.142 3.403 4.884 . 0 0 "[ . 1 . 2]" 1
2235 1 94 GLN HG2 1 95 LEU H . . 4.480 4.293 4.211 4.376 . 0 0 "[ . 1 . 2]" 1
2236 1 94 GLN HG2 1 98 LYS HD2 . . 5.340 5.203 4.974 5.346 0.006 3 0 "[ . 1 . 2]" 1
2237 1 94 GLN HG2 1 98 LYS QE . . 5.340 5.179 4.978 5.337 . 0 0 "[ . 1 . 2]" 1
2238 1 94 GLN HG3 1 95 LEU H . . 5.200 4.774 4.580 5.091 . 0 0 "[ . 1 . 2]" 1
2239 1 94 GLN HG3 1 98 LYS HD2 . . 5.500 4.808 4.365 5.159 . 0 0 "[ . 1 . 2]" 1
2240 1 94 GLN HG3 1 98 LYS QE . . 4.880 4.279 3.712 4.654 . 0 0 "[ . 1 . 2]" 1
2241 1 95 LEU H 1 95 LEU HB2 . . 3.530 2.280 2.247 2.322 . 0 0 "[ . 1 . 2]" 1
2242 1 95 LEU H 1 95 LEU HB3 . . 3.570 3.542 3.529 3.557 . 0 0 "[ . 1 . 2]" 1
2243 1 95 LEU H 1 95 LEU MD1 . . 3.800 2.046 1.919 2.248 . 0 0 "[ . 1 . 2]" 1
2244 1 95 LEU H 1 95 LEU MD2 . . 4.420 4.133 4.102 4.163 . 0 0 "[ . 1 . 2]" 1
2245 1 95 LEU H 1 95 LEU HG . . 3.750 3.416 3.326 3.489 . 0 0 "[ . 1 . 2]" 1
2246 1 95 LEU H 1 96 VAL H . . 3.390 2.989 2.900 3.046 . 0 0 "[ . 1 . 2]" 1
2247 1 95 LEU H 1 96 VAL MG1 . . 4.450 3.616 3.511 3.735 . 0 0 "[ . 1 . 2]" 1
2248 1 95 LEU H 1 97 ARG H . . 4.670 3.960 3.895 4.035 . 0 0 "[ . 1 . 2]" 1
2249 1 95 LEU HA 1 95 LEU MD1 . . 3.320 3.249 3.189 3.294 . 0 0 "[ . 1 . 2]" 1
2250 1 95 LEU HA 1 95 LEU MD2 . . 3.820 3.532 3.512 3.556 . 0 0 "[ . 1 . 2]" 1
2251 1 95 LEU HA 1 95 LEU HG . . 4.140 2.308 2.283 2.337 . 0 0 "[ . 1 . 2]" 1
2252 1 95 LEU HA 1 96 VAL HA . . 4.990 4.879 4.856 4.894 . 0 0 "[ . 1 . 2]" 1
2253 1 95 LEU HA 1 98 LYS H . . 4.390 3.640 3.473 3.736 . 0 0 "[ . 1 . 2]" 1
2254 1 95 LEU HA 1 98 LYS HA . . 5.500 5.425 5.217 5.524 0.024 13 0 "[ . 1 . 2]" 1
2255 1 95 LEU HA 1 98 LYS HB2 . . 3.960 2.591 2.353 2.702 . 0 0 "[ . 1 . 2]" 1
2256 1 95 LEU HA 1 98 LYS HB3 . . 4.350 4.193 3.935 4.314 . 0 0 "[ . 1 . 2]" 1
2257 1 95 LEU HA 1 98 LYS HD2 . . 4.460 3.176 2.821 3.480 . 0 0 "[ . 1 . 2]" 1
2258 1 95 LEU HA 1 98 LYS HD3 . . 4.220 3.469 3.327 3.671 . 0 0 "[ . 1 . 2]" 1
2259 1 95 LEU HA 1 98 LYS HG2 . . 5.350 5.196 5.034 5.300 . 0 0 "[ . 1 . 2]" 1
2260 1 95 LEU HA 1 98 LYS HG3 . . 4.670 4.520 4.133 4.670 . 16 0 "[ . 1 . 2]" 1
2261 1 95 LEU HA 1 99 LEU H . . 4.960 3.527 3.405 3.649 . 0 0 "[ . 1 . 2]" 1
2262 1 95 LEU HB2 1 95 LEU MD1 . . 3.560 2.039 1.991 2.101 . 0 0 "[ . 1 . 2]" 1
2263 1 95 LEU HB2 1 95 LEU MD2 . . 3.610 2.657 2.625 2.710 . 0 0 "[ . 1 . 2]" 1
2264 1 95 LEU HB2 1 96 VAL H . . 3.730 2.185 2.119 2.280 . 0 0 "[ . 1 . 2]" 1
2265 1 95 LEU HB2 1 96 VAL HB . . 5.500 4.422 4.343 4.504 . 0 0 "[ . 1 . 2]" 1
2266 1 95 LEU HB2 1 96 VAL MG1 . . 3.920 3.792 3.686 3.872 . 0 0 "[ . 1 . 2]" 1
2267 1 95 LEU HB3 1 95 LEU MD1 . . 3.580 3.110 3.101 3.118 . 0 0 "[ . 1 . 2]" 1
2268 1 95 LEU HB3 1 95 LEU MD2 . . 3.500 2.034 1.959 2.173 . 0 0 "[ . 1 . 2]" 1
2269 1 95 LEU HB3 1 96 VAL H . . 3.760 2.754 2.671 2.889 . 0 0 "[ . 1 . 2]" 1
2270 1 95 LEU HB3 1 96 VAL HA . . 3.970 3.937 3.886 3.978 0.008 12 0 "[ . 1 . 2]" 1
2271 1 95 LEU HB3 1 96 VAL MG1 . . 4.690 4.577 4.500 4.664 . 0 0 "[ . 1 . 2]" 1
2272 1 95 LEU MD1 1 96 VAL H . . 4.610 3.773 3.678 3.840 . 0 0 "[ . 1 . 2]" 1
2273 1 95 LEU MD1 1 96 VAL MG1 . . 4.670 4.573 4.495 4.676 0.006 17 0 "[ . 1 . 2]" 1
2274 1 95 LEU MD1 1 98 LYS HD2 . . 4.670 4.400 4.118 4.616 . 0 0 "[ . 1 . 2]" 1
2275 1 95 LEU MD1 1 98 LYS HD3 . . 4.870 4.830 4.719 4.886 0.016 2 0 "[ . 1 . 2]" 1
2276 1 95 LEU MD1 1 98 LYS QE . . 5.260 4.967 4.720 5.215 . 0 0 "[ . 1 . 2]" 1
2277 1 95 LEU MD2 1 96 VAL H . . 4.740 4.186 4.133 4.303 . 0 0 "[ . 1 . 2]" 1
2278 1 95 LEU MD2 1 98 LYS HD3 . . 5.500 5.513 5.466 5.531 0.031 2 0 "[ . 1 . 2]" 1
2279 1 96 VAL H 1 96 VAL HB . . 2.860 2.546 2.510 2.602 . 0 0 "[ . 1 . 2]" 1
2280 1 96 VAL H 1 96 VAL MG1 . . 3.030 2.126 1.993 2.216 . 0 0 "[ . 1 . 2]" 1
2281 1 96 VAL H 1 96 VAL MG2 . . 3.860 3.778 3.772 3.786 . 0 0 "[ . 1 . 2]" 1
2282 1 96 VAL H 1 97 ARG H . . 3.410 2.953 2.875 2.986 . 0 0 "[ . 1 . 2]" 1
2283 1 96 VAL H 1 99 LEU HB3 . . 5.500 5.414 5.296 5.498 . 0 0 "[ . 1 . 2]" 1
2284 1 96 VAL HA 1 96 VAL MG2 . . 3.130 2.434 2.407 2.471 . 0 0 "[ . 1 . 2]" 1
2285 1 96 VAL HA 1 97 ARG HA . . 4.940 4.712 4.688 4.733 . 0 0 "[ . 1 . 2]" 1
2286 1 96 VAL HA 1 99 LEU H . . 4.470 4.256 4.164 4.346 . 0 0 "[ . 1 . 2]" 1
2287 1 96 VAL HA 1 99 LEU HB2 . . 4.150 3.774 3.635 3.948 . 0 0 "[ . 1 . 2]" 1
2288 1 96 VAL HA 1 99 LEU HB3 . . 3.900 3.375 3.286 3.516 . 0 0 "[ . 1 . 2]" 1
2289 1 96 VAL HA 1 99 LEU MD1 . . 5.500 5.403 5.278 5.509 0.009 20 0 "[ . 1 . 2]" 1
2290 1 96 VAL HA 1 99 LEU MD2 . . 4.610 3.415 3.260 3.588 . 0 0 "[ . 1 . 2]" 1
2291 1 96 VAL HA 1 100 LEU H . . 4.890 4.875 4.774 4.912 0.022 20 0 "[ . 1 . 2]" 1
2292 1 96 VAL HA 1 100 LEU HG . . 4.870 4.429 4.351 4.525 . 0 0 "[ . 1 . 2]" 1
2293 1 96 VAL HB 1 97 ARG H . . 4.210 4.000 3.976 4.020 . 0 0 "[ . 1 . 2]" 1
2294 1 96 VAL MG1 1 97 ARG H . . 3.980 2.090 1.958 2.158 . 0 0 "[ . 1 . 2]" 1
2295 1 96 VAL MG1 1 97 ARG HA . . 4.380 3.411 3.341 3.491 . 0 0 "[ . 1 . 2]" 1
2296 1 96 VAL MG2 1 97 ARG H . . 3.650 3.552 3.420 3.612 . 0 0 "[ . 1 . 2]" 1
2297 1 96 VAL MG2 1 97 ARG HA . . 3.580 3.557 3.455 3.605 0.025 11 0 "[ . 1 . 2]" 1
2298 1 96 VAL MG2 1 99 LEU HB3 . . 4.580 4.324 4.191 4.475 . 0 0 "[ . 1 . 2]" 1
2299 1 96 VAL MG2 1 100 LEU H . . 4.980 4.805 4.706 4.923 . 0 0 "[ . 1 . 2]" 1
2300 1 97 ARG H 1 97 ARG HB2 . . 3.170 3.005 2.972 3.045 . 0 0 "[ . 1 . 2]" 1
2301 1 97 ARG H 1 97 ARG HB3 . . 3.250 2.191 2.164 2.212 . 0 0 "[ . 1 . 2]" 1
2302 1 97 ARG H 1 97 ARG QD . . 4.600 4.514 4.292 4.611 0.011 1 0 "[ . 1 . 2]" 1
2303 1 97 ARG H 1 97 ARG HG2 . . 4.100 4.074 4.024 4.106 0.006 10 0 "[ . 1 . 2]" 1
2304 1 97 ARG H 1 98 LYS H . . 3.590 2.738 2.615 2.824 . 0 0 "[ . 1 . 2]" 1
2305 1 97 ARG H 1 101 ILE MD . . 5.500 5.478 5.425 5.509 0.009 11 0 "[ . 1 . 2]" 1
2306 1 97 ARG HA 1 97 ARG QD . . 4.460 4.135 3.767 4.289 . 0 0 "[ . 1 . 2]" 1
2307 1 97 ARG HA 1 97 ARG HG2 . . 3.720 3.627 3.395 3.728 0.008 20 0 "[ . 1 . 2]" 1
2308 1 97 ARG HA 1 97 ARG HG3 . . 4.190 2.808 2.764 2.916 . 0 0 "[ . 1 . 2]" 1
2309 1 97 ARG HA 1 99 LEU HB3 . . 5.500 4.935 4.795 5.041 . 0 0 "[ . 1 . 2]" 1
2310 1 97 ARG HA 1 100 LEU H . . 4.150 3.638 3.524 3.721 . 0 0 "[ . 1 . 2]" 1
2311 1 97 ARG HA 1 100 LEU HB2 . . 3.990 3.538 3.252 3.729 . 0 0 "[ . 1 . 2]" 1
2312 1 97 ARG HA 1 100 LEU MD1 . . 3.230 2.221 2.007 2.557 . 0 0 "[ . 1 . 2]" 1
2313 1 97 ARG HA 1 101 ILE H . . 5.020 4.744 4.631 4.823 . 0 0 "[ . 1 . 2]" 1
2314 1 97 ARG HB2 1 97 ARG QD . . 3.140 2.421 2.176 2.647 . 0 0 "[ . 1 . 2]" 1
2315 1 97 ARG HB2 1 98 LYS H . . 4.210 3.777 3.733 3.844 . 0 0 "[ . 1 . 2]" 1
2316 1 97 ARG HB3 1 97 ARG QD . . 3.910 2.561 2.394 2.626 . 0 0 "[ . 1 . 2]" 1
2317 1 97 ARG HB3 1 98 LYS H . . 3.520 2.419 2.376 2.501 . 0 0 "[ . 1 . 2]" 1
2318 1 97 ARG QD 1 98 LYS H . . 4.910 4.015 3.526 4.300 . 0 0 "[ . 1 . 2]" 1
2319 1 97 ARG QD 1 100 LEU MD1 . . 5.500 5.242 4.646 5.502 0.002 17 0 "[ . 1 . 2]" 1
2320 1 97 ARG QD 1 101 ILE MD . . 4.530 2.781 2.523 3.104 . 0 0 "[ . 1 . 2]" 1
2321 1 97 ARG QD 1 101 ILE MG . . 5.500 5.313 5.108 5.559 0.059 11 0 "[ . 1 . 2]" 1
2322 1 97 ARG HG2 1 98 LYS H . . 4.890 2.436 2.213 2.653 . 0 0 "[ . 1 . 2]" 1
2323 1 97 ARG HG2 1 98 LYS HA . . 3.720 3.019 2.766 3.134 . 0 0 "[ . 1 . 2]" 1
2324 1 97 ARG HG2 1 98 LYS HB3 . . 5.260 5.034 4.868 5.190 . 0 0 "[ . 1 . 2]" 1
2325 1 97 ARG HG2 1 101 ILE MD . . 3.860 2.115 1.952 2.326 . 0 0 "[ . 1 . 2]" 1
2326 1 97 ARG HG3 1 98 LYS H . . 4.330 3.523 3.298 3.813 . 0 0 "[ . 1 . 2]" 1
2327 1 97 ARG HG3 1 101 ILE MG . . 5.070 4.902 4.707 5.067 . 0 0 "[ . 1 . 2]" 1
2328 1 98 LYS H 1 98 LYS HB2 . . 3.810 2.411 2.375 2.453 . 0 0 "[ . 1 . 2]" 1
2329 1 98 LYS H 1 98 LYS HB3 . . 3.810 3.589 3.579 3.600 . 0 0 "[ . 1 . 2]" 1
2330 1 98 LYS H 1 98 LYS HD2 . . 4.610 3.385 3.268 3.766 . 0 0 "[ . 1 . 2]" 1
2331 1 98 LYS H 1 98 LYS HE2 . . 5.500 5.202 4.968 5.516 0.016 3 0 "[ . 1 . 2]" 1
2332 1 98 LYS H 1 98 LYS HE3 . . 5.500 5.465 5.250 5.518 0.018 11 0 "[ . 1 . 2]" 1
2333 1 98 LYS H 1 98 LYS HG2 . . 3.890 3.859 3.757 3.909 0.019 6 0 "[ . 1 . 2]" 1
2334 1 98 LYS H 1 98 LYS HG3 . . 3.970 2.461 2.385 2.524 . 0 0 "[ . 1 . 2]" 1
2335 1 98 LYS H 1 99 LEU H . . 3.480 3.013 2.960 3.080 . 0 0 "[ . 1 . 2]" 1
2336 1 98 LYS H 1 99 LEU HB3 . . 5.500 5.178 5.068 5.250 . 0 0 "[ . 1 . 2]" 1
2337 1 98 LYS H 1 100 LEU H . . 4.700 4.421 4.245 4.547 . 0 0 "[ . 1 . 2]" 1
2338 1 98 LYS H 1 100 LEU MD1 . . 5.440 5.238 5.074 5.437 . 0 0 "[ . 1 . 2]" 1
2339 1 98 LYS H 1 100 LEU HG . . 5.500 5.474 5.313 5.508 0.008 20 0 "[ . 1 . 2]" 1
2340 1 98 LYS H 1 101 ILE MD . . 4.940 3.624 3.478 3.752 . 0 0 "[ . 1 . 2]" 1
2341 1 98 LYS HA 1 98 LYS QE . . 5.340 4.722 4.450 4.948 . 0 0 "[ . 1 . 2]" 1
2342 1 98 LYS HA 1 98 LYS HG2 . . 4.000 2.787 2.596 2.823 . 0 0 "[ . 1 . 2]" 1
2343 1 98 LYS HA 1 98 LYS HG3 . . 3.690 2.541 2.499 2.697 . 0 0 "[ . 1 . 2]" 1
2344 1 98 LYS HA 1 99 LEU HA . . 5.200 4.906 4.877 4.922 . 0 0 "[ . 1 . 2]" 1
2345 1 98 LYS HA 1 100 LEU H . . 4.880 4.253 4.043 4.407 . 0 0 "[ . 1 . 2]" 1
2346 1 98 LYS HA 1 101 ILE H . . 4.210 3.105 3.043 3.215 . 0 0 "[ . 1 . 2]" 1
2347 1 98 LYS HA 1 101 ILE HB . . 3.250 2.618 2.464 2.923 . 0 0 "[ . 1 . 2]" 1
2348 1 98 LYS HA 1 101 ILE MD . . 3.310 2.242 1.987 2.495 . 0 0 "[ . 1 . 2]" 1
2349 1 98 LYS HA 1 101 ILE HG12 . . 4.590 3.861 3.601 3.944 . 0 0 "[ . 1 . 2]" 1
2350 1 98 LYS HA 1 101 ILE MG . . 4.100 3.924 3.817 4.010 . 0 0 "[ . 1 . 2]" 1
2351 1 98 LYS HA 1 102 ILE MD . . 4.650 3.985 3.833 4.218 . 0 0 "[ . 1 . 2]" 1
2352 1 98 LYS HB2 1 98 LYS HD2 . . 4.100 2.619 2.408 2.732 . 0 0 "[ . 1 . 2]" 1
2353 1 98 LYS HB2 1 98 LYS QE . . 4.800 4.023 4.008 4.044 . 0 0 "[ . 1 . 2]" 1
2354 1 98 LYS HB2 1 99 LEU H . . 3.490 2.501 2.442 2.577 . 0 0 "[ . 1 . 2]" 1
2355 1 98 LYS HB2 1 99 LEU HB2 . . 4.650 4.461 4.390 4.507 . 0 0 "[ . 1 . 2]" 1
2356 1 98 LYS HB2 1 99 LEU HB3 . . 5.500 5.170 5.082 5.275 . 0 0 "[ . 1 . 2]" 1
2357 1 98 LYS HB2 1 101 ILE MD . . 4.950 4.619 4.434 4.781 . 0 0 "[ . 1 . 2]" 1
2358 1 98 LYS HB2 1 102 ILE MD . . 4.570 3.498 3.246 3.889 . 0 0 "[ . 1 . 2]" 1
2359 1 98 LYS HB3 1 98 LYS HD3 . . 3.680 2.713 2.512 2.779 . 0 0 "[ . 1 . 2]" 1
2360 1 98 LYS HB3 1 98 LYS QE . . 4.280 4.042 3.753 4.120 . 0 0 "[ . 1 . 2]" 1
2361 1 98 LYS HB3 1 99 LEU H . . 4.070 3.224 3.118 3.359 . 0 0 "[ . 1 . 2]" 1
2362 1 98 LYS HB3 1 100 LEU H . . 5.500 5.307 5.150 5.448 . 0 0 "[ . 1 . 2]" 1
2363 1 98 LYS HB3 1 101 ILE HG13 . . 4.840 4.748 4.389 4.844 0.004 10 0 "[ . 1 . 2]" 1
2364 1 98 LYS QE 1 98 LYS HG2 . . 3.420 2.342 2.076 2.473 . 0 0 "[ . 1 . 2]" 1
2365 1 98 LYS QE 1 102 ILE MD . . 5.340 5.252 5.041 5.343 0.003 11 0 "[ . 1 . 2]" 1
2366 1 98 LYS HG3 1 99 LEU H . . 4.720 4.568 4.535 4.594 . 0 0 "[ . 1 . 2]" 1
2367 1 99 LEU H 1 99 LEU HB2 . . 3.470 2.367 2.317 2.422 . 0 0 "[ . 1 . 2]" 1
2368 1 99 LEU H 1 99 LEU HB3 . . 3.450 2.690 2.611 2.740 . 0 0 "[ . 1 . 2]" 1
2369 1 99 LEU H 1 99 LEU MD1 . . 4.380 3.911 3.823 3.982 . 0 0 "[ . 1 . 2]" 1
2370 1 99 LEU H 1 99 LEU MD2 . . 4.400 4.224 4.177 4.250 . 0 0 "[ . 1 . 2]" 1
2371 1 99 LEU H 1 100 LEU H . . 3.580 2.950 2.872 3.025 . 0 0 "[ . 1 . 2]" 1
2372 1 99 LEU H 1 100 LEU HB2 . . 5.500 5.342 5.207 5.430 . 0 0 "[ . 1 . 2]" 1
2373 1 99 LEU H 1 100 LEU HG . . 5.420 4.415 4.272 4.527 . 0 0 "[ . 1 . 2]" 1
2374 1 99 LEU H 1 101 ILE H . . 4.950 4.055 3.965 4.154 . 0 0 "[ . 1 . 2]" 1
2375 1 99 LEU H 1 102 ILE MD . . 4.510 3.550 3.386 3.746 . 0 0 "[ . 1 . 2]" 1
2376 1 99 LEU HA 1 99 LEU MD1 . . 3.100 2.021 1.951 2.178 . 0 0 "[ . 1 . 2]" 1
2377 1 99 LEU HA 1 99 LEU MD2 . . 3.850 3.810 3.753 3.856 0.006 1 0 "[ . 1 . 2]" 1
2378 1 99 LEU HA 1 102 ILE H . . 4.030 3.508 3.381 3.582 . 0 0 "[ . 1 . 2]" 1
2379 1 99 LEU HA 1 102 ILE HB . . 3.490 3.104 2.895 3.269 . 0 0 "[ . 1 . 2]" 1
2380 1 99 LEU HA 1 102 ILE MD . . 3.320 2.069 1.982 2.132 . 0 0 "[ . 1 . 2]" 1
2381 1 99 LEU HA 1 102 ILE MG . . 4.670 4.426 4.265 4.530 . 0 0 "[ . 1 . 2]" 1
2382 1 99 LEU HA 1 103 ILE H . . 4.940 3.809 3.645 3.965 . 0 0 "[ . 1 . 2]" 1
2383 1 99 LEU HA 1 103 ILE MG . . 4.560 3.456 3.332 3.615 . 0 0 "[ . 1 . 2]" 1
2384 1 99 LEU HB2 1 100 LEU H . . 4.070 3.788 3.726 3.876 . 0 0 "[ . 1 . 2]" 1
2385 1 99 LEU HB2 1 100 LEU MD2 . . 5.230 4.992 4.844 5.190 . 0 0 "[ . 1 . 2]" 1
2386 1 99 LEU HB2 1 102 ILE MD . . 4.150 3.947 3.839 4.041 . 0 0 "[ . 1 . 2]" 1
2387 1 99 LEU HB3 1 99 LEU MD2 . . 3.220 2.353 2.273 2.426 . 0 0 "[ . 1 . 2]" 1
2388 1 99 LEU HB3 1 100 LEU H . . 3.860 2.502 2.375 2.690 . 0 0 "[ . 1 . 2]" 1
2389 1 99 LEU HB3 1 100 LEU HA . . 5.500 4.217 4.154 4.287 . 0 0 "[ . 1 . 2]" 1
2390 1 99 LEU HB3 1 100 LEU MD1 . . 4.980 4.489 4.349 4.595 . 0 0 "[ . 1 . 2]" 1
2391 1 99 LEU HB3 1 102 ILE MD . . 5.420 4.715 4.629 4.766 . 0 0 "[ . 1 . 2]" 1
2392 1 99 LEU HB3 1 103 ILE MG . . 4.570 4.380 4.202 4.578 0.008 15 0 "[ . 1 . 2]" 1
2393 1 99 LEU MD1 1 100 LEU H . . 4.930 4.392 4.321 4.497 . 0 0 "[ . 1 . 2]" 1
2394 1 99 LEU MD1 1 100 LEU MD2 . . 5.220 4.686 4.487 4.895 . 0 0 "[ . 1 . 2]" 1
2395 1 99 LEU MD1 1 102 ILE H . . 4.510 4.388 4.308 4.511 0.001 6 0 "[ . 1 . 2]" 1
2396 1 99 LEU MD1 1 102 ILE HB . . 3.390 3.235 3.091 3.365 . 0 0 "[ . 1 . 2]" 1
2397 1 99 LEU MD1 1 102 ILE MD . . 3.390 2.870 2.731 2.975 . 0 0 "[ . 1 . 2]" 1
2398 1 99 LEU MD1 1 102 ILE MG . . 4.240 4.054 3.902 4.179 . 0 0 "[ . 1 . 2]" 1
2399 1 99 LEU MD1 1 103 ILE H . . 4.550 3.442 3.256 3.659 . 0 0 "[ . 1 . 2]" 1
2400 1 99 LEU MD1 1 103 ILE MD . . 4.540 3.722 3.545 3.888 . 0 0 "[ . 1 . 2]" 1
2401 1 99 LEU MD1 1 103 ILE MG . . 3.410 2.173 1.946 2.417 . 0 0 "[ . 1 . 2]" 1
2402 1 99 LEU MD2 1 100 LEU H . . 4.740 4.408 4.209 4.643 . 0 0 "[ . 1 . 2]" 1
2403 1 99 LEU MD2 1 102 ILE MD . . 4.890 4.835 4.734 4.901 0.011 13 0 "[ . 1 . 2]" 1
2404 1 99 LEU MD2 1 103 ILE MD . . 4.620 3.993 3.673 4.267 . 0 0 "[ . 1 . 2]" 1
2405 1 99 LEU MD2 1 103 ILE MG . . 3.940 3.659 3.372 3.872 . 0 0 "[ . 1 . 2]" 1
2406 1 99 LEU HG 1 100 LEU H . . 5.200 3.864 3.698 4.079 . 0 0 "[ . 1 . 2]" 1
2407 1 99 LEU HG 1 102 ILE H . . 5.500 5.385 5.173 5.495 . 0 0 "[ . 1 . 2]" 1
2408 1 99 LEU HG 1 103 ILE MG . . 3.450 2.628 2.225 2.920 . 0 0 "[ . 1 . 2]" 1
2409 1 100 LEU H 1 100 LEU HB2 . . 3.650 2.641 2.558 2.706 . 0 0 "[ . 1 . 2]" 1
2410 1 100 LEU H 1 100 LEU HB3 . . 3.770 3.592 3.578 3.610 . 0 0 "[ . 1 . 2]" 1
2411 1 100 LEU H 1 100 LEU MD1 . . 3.500 3.389 3.265 3.507 0.007 17 0 "[ . 1 . 2]" 1
2412 1 100 LEU H 1 100 LEU MD2 . . 3.960 3.266 3.035 3.501 . 0 0 "[ . 1 . 2]" 1
2413 1 100 LEU H 1 100 LEU HG . . 3.390 2.007 1.899 2.195 . 0 0 "[ . 1 . 2]" 1
2414 1 100 LEU H 1 101 ILE H . . 3.740 2.511 2.415 2.606 . 0 0 "[ . 1 . 2]" 1
2415 1 100 LEU H 1 101 ILE HA . . 5.340 5.145 5.067 5.231 . 0 0 "[ . 1 . 2]" 1
2416 1 100 LEU H 1 101 ILE HB . . 5.260 5.023 4.911 5.175 . 0 0 "[ . 1 . 2]" 1
2417 1 100 LEU H 1 102 ILE H . . 4.840 3.967 3.871 4.077 . 0 0 "[ . 1 . 2]" 1
2418 1 100 LEU HA 1 100 LEU MD2 . . 2.980 2.374 2.032 2.531 . 0 0 "[ . 1 . 2]" 1
2419 1 100 LEU HA 1 102 ILE H . . 4.800 3.985 3.824 4.215 . 0 0 "[ . 1 . 2]" 1
2420 1 100 LEU HA 1 103 ILE H . . 4.210 3.915 3.733 4.055 . 0 0 "[ . 1 . 2]" 1
2421 1 100 LEU HA 1 103 ILE HB . . 5.450 5.036 4.921 5.255 . 0 0 "[ . 1 . 2]" 1
2422 1 100 LEU HA 1 103 ILE MD . . 3.360 2.309 2.058 2.561 . 0 0 "[ . 1 . 2]" 1
2423 1 100 LEU HA 1 103 ILE HG12 . . 3.780 2.150 2.032 2.315 . 0 0 "[ . 1 . 2]" 1
2424 1 100 LEU HA 1 103 ILE MG . . 4.700 3.552 3.232 3.797 . 0 0 "[ . 1 . 2]" 1
2425 1 100 LEU HB2 1 100 LEU MD1 . . 3.280 2.277 2.199 2.335 . 0 0 "[ . 1 . 2]" 1
2426 1 100 LEU HB2 1 101 ILE H . . 4.690 2.900 2.763 3.047 . 0 0 "[ . 1 . 2]" 1
2427 1 100 LEU HB3 1 100 LEU MD1 . . 3.340 2.448 2.368 2.520 . 0 0 "[ . 1 . 2]" 1
2428 1 100 LEU HB3 1 100 LEU MD2 . . 3.200 2.187 2.103 2.369 . 0 0 "[ . 1 . 2]" 1
2429 1 100 LEU HB3 1 101 ILE H . . 4.540 4.021 3.913 4.149 . 0 0 "[ . 1 . 2]" 1
2430 1 100 LEU HB3 1 103 ILE HG12 . . 4.640 4.272 4.063 4.468 . 0 0 "[ . 1 . 2]" 1
2431 1 100 LEU MD1 1 101 ILE H . . 5.080 4.506 4.374 4.571 . 0 0 "[ . 1 . 2]" 1
2432 1 100 LEU HG 1 101 ILE H . . 5.070 4.143 4.054 4.263 . 0 0 "[ . 1 . 2]" 1
2433 1 101 ILE H 1 101 ILE HB . . 3.310 2.703 2.648 2.765 . 0 0 "[ . 1 . 2]" 1
2434 1 101 ILE H 1 101 ILE MD . . 3.910 3.610 3.542 3.696 . 0 0 "[ . 1 . 2]" 1
2435 1 101 ILE H 1 101 ILE HG12 . . 4.020 3.049 2.770 3.164 . 0 0 "[ . 1 . 2]" 1
2436 1 101 ILE H 1 101 ILE HG13 . . 3.700 1.968 1.900 2.068 . 0 0 "[ . 1 . 2]" 1
2437 1 101 ILE H 1 101 ILE MG . . 3.780 3.777 3.756 3.795 0.015 4 0 "[ . 1 . 2]" 1
2438 1 101 ILE HA 1 101 ILE MD . . 3.990 3.851 3.807 3.889 . 0 0 "[ . 1 . 2]" 1
2439 1 101 ILE HA 1 101 ILE HG12 . . 3.460 2.642 2.581 2.685 . 0 0 "[ . 1 . 2]" 1
2440 1 101 ILE HA 1 101 ILE HG13 . . 3.520 3.284 3.218 3.419 . 0 0 "[ . 1 . 2]" 1
2441 1 101 ILE HA 1 101 ILE MG . . 3.170 2.180 2.114 2.310 . 0 0 "[ . 1 . 2]" 1
2442 1 101 ILE HA 1 102 ILE HA . . 4.710 4.658 4.616 4.704 . 0 0 "[ . 1 . 2]" 1
2443 1 101 ILE HA 1 104 SER H . . 4.320 4.035 3.949 4.144 . 0 0 "[ . 1 . 2]" 1
2444 1 101 ILE HB 1 101 ILE MD . . 3.110 2.435 2.351 2.522 . 0 0 "[ . 1 . 2]" 1
2445 1 101 ILE HB 1 102 ILE H . . 3.260 3.068 2.884 3.209 . 0 0 "[ . 1 . 2]" 1
2446 1 101 ILE HG12 1 101 ILE MG . . 3.190 2.399 2.318 2.495 . 0 0 "[ . 1 . 2]" 1
2447 1 101 ILE HG13 1 101 ILE MG . . 3.320 3.184 3.174 3.190 . 0 0 "[ . 1 . 2]" 1
2448 1 101 ILE HG13 1 102 ILE H . . 4.720 4.032 3.903 4.169 . 0 0 "[ . 1 . 2]" 1
2449 1 101 ILE MG 1 102 ILE H . . 4.060 4.011 3.858 4.064 0.004 11 0 "[ . 1 . 2]" 1
2450 1 101 ILE MG 1 102 ILE HA . . 4.320 4.103 3.927 4.191 . 0 0 "[ . 1 . 2]" 1
2451 1 101 ILE MG 1 104 SER H . . 5.340 5.156 4.989 5.266 . 0 0 "[ . 1 . 2]" 1
2452 1 101 ILE MG 1 104 SER HB2 . . 5.140 4.261 3.825 5.084 . 0 0 "[ . 1 . 2]" 1
2453 1 101 ILE MG 1 104 SER QB . . 4.290 3.939 3.679 4.282 . 0 0 "[ . 1 . 2]" 1
2454 1 101 ILE MG 1 104 SER HB3 . . 5.140 4.846 4.272 5.120 . 0 0 "[ . 1 . 2]" 1
2455 1 101 ILE MG 1 107 ALA MB . . 4.360 4.021 3.054 4.341 . 0 0 "[ . 1 . 2]" 1
2456 1 102 ILE H 1 102 ILE HB . . 3.400 2.615 2.558 2.671 . 0 0 "[ . 1 . 2]" 1
2457 1 102 ILE H 1 102 ILE MD . . 3.360 3.304 3.194 3.362 0.002 8 0 "[ . 1 . 2]" 1
2458 1 102 ILE H 1 102 ILE HG12 . . 3.770 3.662 3.496 3.772 0.002 9 0 "[ . 1 . 2]" 1
2459 1 102 ILE H 1 102 ILE QG . . 3.110 2.173 2.018 2.293 . 0 0 "[ . 1 . 2]" 1
2460 1 102 ILE H 1 102 ILE HG13 . . 3.770 2.190 2.031 2.313 . 0 0 "[ . 1 . 2]" 1
2461 1 102 ILE H 1 102 ILE MG . . 3.940 3.805 3.785 3.826 . 0 0 "[ . 1 . 2]" 1
2462 1 102 ILE H 1 103 ILE HG12 . . 4.990 3.812 3.636 3.987 . 0 0 "[ . 1 . 2]" 1
2463 1 102 ILE H 1 103 ILE HG13 . . 5.500 5.175 4.898 5.495 . 0 0 "[ . 1 . 2]" 1
2464 1 102 ILE H 1 103 ILE MG . . 4.620 3.910 3.811 4.080 . 0 0 "[ . 1 . 2]" 1
2465 1 102 ILE HA 1 102 ILE MD . . 4.040 3.932 3.910 3.952 . 0 0 "[ . 1 . 2]" 1
2466 1 102 ILE HA 1 102 ILE HG12 . . 3.930 2.833 2.790 2.880 . 0 0 "[ . 1 . 2]" 1
2467 1 102 ILE HA 1 102 ILE QG . . 3.380 2.542 2.501 2.584 . 0 0 "[ . 1 . 2]" 1
2468 1 102 ILE HA 1 102 ILE HG13 . . 3.930 2.877 2.790 2.988 . 0 0 "[ . 1 . 2]" 1
2469 1 102 ILE HA 1 102 ILE MG . . 3.130 2.266 2.188 2.359 . 0 0 "[ . 1 . 2]" 1
2470 1 102 ILE HA 1 103 ILE HA . . 5.290 4.815 4.789 4.837 . 0 0 "[ . 1 . 2]" 1
2471 1 102 ILE HA 1 104 SER H . . 4.560 4.072 3.922 4.333 . 0 0 "[ . 1 . 2]" 1
2472 1 102 ILE HB 1 102 ILE MD . . 2.960 2.206 2.167 2.238 . 0 0 "[ . 1 . 2]" 1
2473 1 102 ILE HB 1 103 ILE H . . 3.560 2.112 2.070 2.223 . 0 0 "[ . 1 . 2]" 1
2474 1 102 ILE HB 1 103 ILE MG . . 4.070 2.908 2.733 3.059 . 0 0 "[ . 1 . 2]" 1
2475 1 102 ILE HB 1 104 SER H . . 4.670 4.525 4.461 4.599 . 0 0 "[ . 1 . 2]" 1
2476 1 102 ILE MD 1 103 ILE MG . . 4.060 3.881 3.761 3.984 . 0 0 "[ . 1 . 2]" 1
2477 1 102 ILE QG 1 103 ILE H . . 4.360 3.801 3.708 3.886 . 0 0 "[ . 1 . 2]" 1
2478 1 102 ILE MG 1 103 ILE H . . 3.970 3.205 3.075 3.384 . 0 0 "[ . 1 . 2]" 1
2479 1 102 ILE MG 1 103 ILE HA . . 4.080 3.479 3.345 3.639 . 0 0 "[ . 1 . 2]" 1
2480 1 102 ILE MG 1 103 ILE MG . . 3.540 3.452 3.222 3.546 0.006 6 0 "[ . 1 . 2]" 1
2481 1 103 ILE H 1 103 ILE HB . . 4.020 3.598 3.581 3.611 . 0 0 "[ . 1 . 2]" 1
2482 1 103 ILE H 1 103 ILE MD . . 4.450 3.786 3.681 3.869 . 0 0 "[ . 1 . 2]" 1
2483 1 103 ILE H 1 103 ILE HG12 . . 3.390 2.452 2.357 2.583 . 0 0 "[ . 1 . 2]" 1
2484 1 103 ILE H 1 103 ILE HG13 . . 3.790 3.579 3.430 3.784 . 0 0 "[ . 1 . 2]" 1
2485 1 103 ILE H 1 103 ILE MG . . 3.290 1.933 1.861 2.114 . 0 0 "[ . 1 . 2]" 1
2486 1 103 ILE HA 1 103 ILE MG . . 3.040 2.419 2.343 2.493 . 0 0 "[ . 1 . 2]" 1
2487 1 103 ILE HB 1 103 ILE MD . . 3.350 2.440 2.372 2.509 . 0 0 "[ . 1 . 2]" 1
2488 1 103 ILE HB 1 104 SER H . . 4.310 4.003 3.861 4.073 . 0 0 "[ . 1 . 2]" 1
2489 1 103 ILE MD 1 103 ILE MG . . 2.780 1.954 1.905 2.012 . 0 0 "[ . 1 . 2]" 1
2490 1 103 ILE MD 1 104 SER H . . 4.030 3.939 3.750 4.026 . 0 0 "[ . 1 . 2]" 1
2491 1 103 ILE HG12 1 103 ILE MG . . 3.350 2.341 2.281 2.423 . 0 0 "[ . 1 . 2]" 1
2492 1 103 ILE HG12 1 104 SER H . . 4.100 2.554 2.256 2.803 . 0 0 "[ . 1 . 2]" 1
2493 1 103 ILE HG12 1 104 SER QB . . 5.340 4.274 3.889 4.660 . 0 0 "[ . 1 . 2]" 1
2494 1 103 ILE HG13 1 104 SER H . . 3.940 2.542 2.277 2.846 . 0 0 "[ . 1 . 2]" 1
2495 1 103 ILE HG13 1 104 SER HA . . 4.630 2.993 2.882 3.090 . 0 0 "[ . 1 . 2]" 1
2496 1 103 ILE HG13 1 105 ARG H . . 5.150 4.566 4.253 4.911 . 0 0 "[ . 1 . 2]" 1
2497 1 103 ILE MG 1 104 SER H . . 4.210 3.815 3.721 3.872 . 0 0 "[ . 1 . 2]" 1
2498 1 104 SER H 1 104 SER HB2 . . 3.680 2.601 2.172 3.628 . 0 0 "[ . 1 . 2]" 1
2499 1 104 SER H 1 104 SER HB3 . . 3.680 3.271 2.517 3.579 . 0 0 "[ . 1 . 2]" 1
2500 1 104 SER H 1 105 ARG H . . 4.420 4.417 4.303 4.469 0.049 15 0 "[ . 1 . 2]" 1
2501 1 104 SER HA 1 105 ARG HB3 . . 5.150 4.731 4.202 5.067 . 0 0 "[ . 1 . 2]" 1
2502 1 104 SER HA 1 106 PRO HD2 . . 4.710 2.977 2.849 3.149 . 0 0 "[ . 1 . 2]" 1
2503 1 104 SER HA 1 106 PRO QD . . 4.100 2.940 2.816 3.106 . 0 0 "[ . 1 . 2]" 1
2504 1 104 SER HA 1 106 PRO HD3 . . 4.710 4.558 4.426 4.741 0.031 5 0 "[ . 1 . 2]" 1
2505 1 104 SER QB 1 105 ARG H . . 4.050 3.511 3.367 3.754 . 0 0 "[ . 1 . 2]" 1
2506 1 104 SER QB 1 106 PRO HB3 . . 5.340 5.275 5.088 5.378 0.038 15 0 "[ . 1 . 2]" 1
2507 1 104 SER QB 1 106 PRO QD . . 4.240 2.616 2.362 2.876 . 0 0 "[ . 1 . 2]" 1
2508 1 104 SER QB 1 106 PRO QG . . 4.220 2.643 2.390 2.803 . 0 0 "[ . 1 . 2]" 1
2509 1 104 SER QB 1 107 ALA MB . . 4.500 3.773 2.633 4.467 . 0 0 "[ . 1 . 2]" 1
2510 1 104 SER HB2 1 105 ARG H . . 4.850 4.280 3.529 4.568 . 0 0 "[ . 1 . 2]" 1
2511 1 104 SER HB3 1 105 ARG H . . 4.850 3.857 3.586 4.368 . 0 0 "[ . 1 . 2]" 1
2512 1 105 ARG H 1 105 ARG HB3 . . 4.040 2.754 2.234 3.125 . 0 0 "[ . 1 . 2]" 1
2513 1 105 ARG H 1 106 PRO HD2 . . 4.760 2.232 2.097 2.441 . 0 0 "[ . 1 . 2]" 1
2514 1 105 ARG H 1 106 PRO HD3 . . 4.760 3.193 3.041 3.441 . 0 0 "[ . 1 . 2]" 1
2515 1 105 ARG HA 1 105 ARG QD . . 4.120 3.666 2.474 4.191 0.071 1 0 "[ . 1 . 2]" 1
2516 1 105 ARG HA 1 106 PRO QD . . 3.500 3.459 3.453 3.467 . 0 0 "[ . 1 . 2]" 1
2517 1 105 ARG HB2 1 106 PRO QD . . 3.530 2.947 2.683 3.335 . 0 0 "[ . 1 . 2]" 1
2518 1 105 ARG HB3 1 106 PRO HB3 . . 5.150 4.437 4.180 4.839 . 0 0 "[ . 1 . 2]" 1
2519 1 105 ARG HB3 1 106 PRO HD2 . . 4.380 2.782 2.466 2.973 . 0 0 "[ . 1 . 2]" 1
2520 1 105 ARG HB3 1 106 PRO QD . . 3.840 1.894 1.863 1.913 . 0 0 "[ . 1 . 2]" 1
2521 1 105 ARG HB3 1 106 PRO HD3 . . 4.380 1.934 1.913 1.980 . 0 0 "[ . 1 . 2]" 1
2522 1 105 ARG HB3 1 106 PRO QG . . 4.320 3.893 3.851 3.913 . 0 0 "[ . 1 . 2]" 1
2523 1 105 ARG QD 1 106 PRO HB3 . . 5.220 4.725 4.022 5.225 0.005 16 0 "[ . 1 . 2]" 1
2524 1 106 PRO HA 1 107 ALA MB . . 4.440 4.067 3.758 4.311 . 0 0 "[ . 1 . 2]" 1
2525 1 106 PRO HB2 1 107 ALA HA . . 4.700 4.301 3.873 4.624 . 0 0 "[ . 1 . 2]" 1
2526 1 106 PRO HB2 1 107 ALA MB . . 5.010 4.695 4.415 4.998 . 0 0 "[ . 1 . 2]" 1
2527 1 107 ALA MB 1 108 ARG H . . 4.390 3.131 2.324 3.702 . 0 0 "[ . 1 . 2]" 1
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