Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
414878 | 2d7l RC | 11134 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2d7l
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 1700
_Distance_constraint_stats_list.Viol_count 119
_Distance_constraint_stats_list.Viol_total 3.579
_Distance_constraint_stats_list.Viol_max 0.016
_Distance_constraint_stats_list.Viol_rms 0.0002
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0015
_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 8 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 LYS 0.023 0.011 16 0 "[ . 1 . 2]"
1 11 THR 0.024 0.011 16 0 "[ . 1 . 2]"
1 12 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 PHE 0.003 0.001 12 0 "[ . 1 . 2]"
1 14 GLN 0.001 0.001 19 0 "[ . 1 . 2]"
1 15 MET 0.000 0.000 2 0 "[ . 1 . 2]"
1 16 TRP 0.003 0.001 8 0 "[ . 1 . 2]"
1 17 LEU 0.002 0.001 5 0 "[ . 1 . 2]"
1 18 GLU 0.001 0.001 8 0 "[ . 1 . 2]"
1 19 GLU 0.000 0.000 5 0 "[ . 1 . 2]"
1 20 ASN 0.001 0.000 5 0 "[ . 1 . 2]"
1 21 ARG 0.004 0.001 5 0 "[ . 1 . 2]"
1 22 SER 0.001 0.000 9 0 "[ . 1 . 2]"
1 23 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ILE 0.001 0.001 18 0 "[ . 1 . 2]"
1 25 LEU 0.001 0.000 12 0 "[ . 1 . 2]"
1 26 SER 0.000 0.000 12 0 "[ . 1 . 2]"
1 27 ASP 0.000 0.000 18 0 "[ . 1 . 2]"
1 28 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 PHE 0.001 0.001 5 0 "[ . 1 . 2]"
1 32 SER 0.005 0.004 19 0 "[ . 1 . 2]"
1 33 ASP 0.005 0.004 19 0 "[ . 1 . 2]"
1 34 GLU 0.002 0.001 18 0 "[ . 1 . 2]"
1 35 ALA 0.001 0.001 2 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 ILE 0.001 0.001 2 0 "[ . 1 . 2]"
1 38 ILE 0.001 0.001 10 0 "[ . 1 . 2]"
1 39 LYS 0.007 0.003 16 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.002 0.001 10 0 "[ . 1 . 2]"
1 42 MET 0.000 0.000 19 0 "[ . 1 . 2]"
1 43 ILE 0.003 0.001 10 0 "[ . 1 . 2]"
1 44 ARG 0.001 0.001 10 0 "[ . 1 . 2]"
1 45 PHE 0.001 0.000 12 0 "[ . 1 . 2]"
1 46 ARG 0.001 0.001 10 0 "[ . 1 . 2]"
1 47 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 48 LEU 0.045 0.010 19 0 "[ . 1 . 2]"
1 49 SER 0.002 0.002 19 0 "[ . 1 . 2]"
1 50 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 GLU 0.000 0.000 12 0 "[ . 1 . 2]"
1 52 GLU 0.010 0.005 18 0 "[ . 1 . 2]"
1 53 ARG 0.012 0.003 18 0 "[ . 1 . 2]"
1 54 LYS 0.004 0.002 18 0 "[ . 1 . 2]"
1 55 VAL 0.000 0.000 18 0 "[ . 1 . 2]"
1 56 TRP 0.020 0.005 18 0 "[ . 1 . 2]"
1 57 ALA 0.006 0.003 18 0 "[ . 1 . 2]"
1 58 ASN 0.006 0.005 18 0 "[ . 1 . 2]"
1 59 LYS 0.025 0.005 18 0 "[ . 1 . 2]"
1 60 ALA 0.013 0.005 18 0 "[ . 1 . 2]"
1 61 LYS 0.005 0.002 18 0 "[ . 1 . 2]"
1 62 GLY 0.001 0.001 19 0 "[ . 1 . 2]"
1 63 GLU 0.022 0.016 20 0 "[ . 1 . 2]"
1 64 THR 0.016 0.016 20 0 "[ . 1 . 2]"
1 65 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 LYS 0.001 0.001 9 0 "[ . 1 . 2]"
1 73 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 78 PRO 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 8 ARG H 1 8 ARG QB . . 3.540 2.515 2.256 3.168 . 0 0 "[ . 1 . 2]" 1
2 1 8 ARG H 1 8 ARG QG . . 3.980 3.278 2.312 3.836 . 0 0 "[ . 1 . 2]" 1
3 1 8 ARG HA 1 8 ARG QD . . 4.220 3.408 1.989 4.123 . 0 0 "[ . 1 . 2]" 1
4 1 8 ARG HA 1 8 ARG QG . . 3.820 2.526 2.220 3.422 . 0 0 "[ . 1 . 2]" 1
5 1 8 ARG HA 1 9 PRO HD2 . . 3.090 2.380 2.256 2.515 . 0 0 "[ . 1 . 2]" 1
6 1 8 ARG HA 1 9 PRO HD3 . . 2.920 2.294 2.259 2.350 . 0 0 "[ . 1 . 2]" 1
7 1 8 ARG HA 1 9 PRO HG2 . . 4.700 4.496 4.396 4.607 . 0 0 "[ . 1 . 2]" 1
8 1 8 ARG HA 1 9 PRO HG3 . . 4.700 4.461 4.393 4.544 . 0 0 "[ . 1 . 2]" 1
9 1 8 ARG QB 1 9 PRO HD2 . . 3.220 2.123 1.991 2.446 . 0 0 "[ . 1 . 2]" 1
10 1 8 ARG QB 1 9 PRO HD3 . . 3.800 3.461 3.363 3.700 . 0 0 "[ . 1 . 2]" 1
11 1 8 ARG HB2 1 9 PRO HD2 . . 3.920 3.464 2.066 3.913 . 0 0 "[ . 1 . 2]" 1
12 1 8 ARG HB3 1 9 PRO HD2 . . 3.920 2.353 2.001 3.695 . 0 0 "[ . 1 . 2]" 1
13 1 8 ARG QG 1 9 PRO HD2 . . 3.910 3.068 2.371 3.639 . 0 0 "[ . 1 . 2]" 1
14 1 8 ARG QG 1 9 PRO HD3 . . 4.620 3.912 3.290 4.604 . 0 0 "[ . 1 . 2]" 1
15 1 9 PRO HA 1 10 LYS H . . 2.790 2.409 2.170 2.638 . 0 0 "[ . 1 . 2]" 1
16 1 9 PRO HB2 1 10 LYS H . . 3.910 2.633 2.069 3.386 . 0 0 "[ . 1 . 2]" 1
17 1 9 PRO HB3 1 10 LYS H . . 3.910 3.478 3.206 3.901 . 0 0 "[ . 1 . 2]" 1
18 1 10 LYS H 1 10 LYS QB . . 3.180 2.379 2.158 2.890 . 0 0 "[ . 1 . 2]" 1
19 1 10 LYS H 1 10 LYS QD . . 4.400 4.049 3.125 4.399 . 0 0 "[ . 1 . 2]" 1
20 1 10 LYS H 1 10 LYS HG2 . . 4.100 3.123 1.987 4.029 . 0 0 "[ . 1 . 2]" 1
21 1 10 LYS H 1 10 LYS QG . . 3.420 2.488 1.976 3.056 . 0 0 "[ . 1 . 2]" 1
22 1 10 LYS H 1 10 LYS HG3 . . 4.100 3.062 2.309 3.861 . 0 0 "[ . 1 . 2]" 1
23 1 10 LYS H 1 11 THR H . . 4.620 4.593 4.497 4.631 0.011 16 0 "[ . 1 . 2]" 1
24 1 10 LYS HA 1 10 LYS QD . . 4.670 4.080 3.657 4.455 . 0 0 "[ . 1 . 2]" 1
25 1 10 LYS HA 1 10 LYS HG2 . . 4.110 2.896 2.217 3.773 . 0 0 "[ . 1 . 2]" 1
26 1 10 LYS HA 1 10 LYS QG . . 3.590 2.699 2.178 3.343 . 0 0 "[ . 1 . 2]" 1
27 1 10 LYS HA 1 10 LYS HG3 . . 4.110 3.321 2.752 3.949 . 0 0 "[ . 1 . 2]" 1
28 1 10 LYS HA 1 11 THR H . . 3.050 2.345 2.162 2.494 . 0 0 "[ . 1 . 2]" 1
29 1 10 LYS HA 1 11 THR MG . . 4.790 3.251 3.151 3.474 . 0 0 "[ . 1 . 2]" 1
30 1 10 LYS HA 1 14 GLN HB2 . . 4.590 3.481 2.879 3.801 . 0 0 "[ . 1 . 2]" 1
31 1 10 LYS HA 1 14 GLN HB3 . . 4.700 3.945 3.323 4.330 . 0 0 "[ . 1 . 2]" 1
32 1 10 LYS QB 1 10 LYS QD . . 3.430 2.149 2.038 2.263 . 0 0 "[ . 1 . 2]" 1
33 1 10 LYS QB 1 11 THR H . . 3.950 2.593 2.213 3.120 . 0 0 "[ . 1 . 2]" 1
34 1 10 LYS QB 1 14 GLN HB2 . . 3.880 2.681 2.060 3.394 . 0 0 "[ . 1 . 2]" 1
35 1 10 LYS QB 1 14 GLN HB3 . . 4.390 3.297 2.445 4.263 . 0 0 "[ . 1 . 2]" 1
36 1 10 LYS QB 1 15 MET QG . . 4.060 3.282 2.935 3.566 . 0 0 "[ . 1 . 2]" 1
37 1 10 LYS QB 1 60 ALA MB . . 3.790 2.569 1.973 3.257 . 0 0 "[ . 1 . 2]" 1
38 1 10 LYS QD 1 10 LYS QG . . 2.310 2.059 2.009 2.091 . 0 0 "[ . 1 . 2]" 1
39 1 10 LYS QD 1 15 MET HA . . 5.170 4.365 3.930 5.159 . 0 0 "[ . 1 . 2]" 1
40 1 10 LYS QD 1 15 MET QG . . 3.850 3.038 2.384 3.439 . 0 0 "[ . 1 . 2]" 1
41 1 10 LYS QD 1 60 ALA HA . . 4.020 3.491 2.250 4.015 . 0 0 "[ . 1 . 2]" 1
42 1 10 LYS QD 1 60 ALA MB . . 3.940 3.387 2.709 3.703 . 0 0 "[ . 1 . 2]" 1
43 1 10 LYS HD2 1 15 MET QG . . 4.520 3.701 2.430 4.519 . 0 0 "[ . 1 . 2]" 1
44 1 10 LYS HD2 1 60 ALA MB . . 4.750 3.883 2.965 4.712 . 0 0 "[ . 1 . 2]" 1
45 1 10 LYS HD3 1 15 MET QG . . 4.520 3.484 2.533 4.511 . 0 0 "[ . 1 . 2]" 1
46 1 10 LYS HD3 1 60 ALA MB . . 4.750 3.924 3.133 4.703 . 0 0 "[ . 1 . 2]" 1
47 1 10 LYS QE 1 60 ALA MB . . 5.320 4.655 2.730 5.314 . 0 0 "[ . 1 . 2]" 1
48 1 10 LYS QG 1 11 THR H . . 4.410 3.630 3.232 4.029 . 0 0 "[ . 1 . 2]" 1
49 1 10 LYS HG2 1 11 THR H . . 5.050 4.080 3.315 5.050 0.000 19 0 "[ . 1 . 2]" 1
50 1 10 LYS HG3 1 11 THR H . . 5.050 4.425 3.638 4.993 . 0 0 "[ . 1 . 2]" 1
51 1 11 THR H 1 11 THR HB . . 3.990 3.845 3.752 3.929 . 0 0 "[ . 1 . 2]" 1
52 1 11 THR H 1 11 THR MG . . 3.500 2.564 2.255 2.903 . 0 0 "[ . 1 . 2]" 1
53 1 11 THR H 1 12 GLY H . . 5.440 4.460 4.395 4.518 . 0 0 "[ . 1 . 2]" 1
54 1 11 THR H 1 13 PHE H . . 5.500 4.891 4.665 5.009 . 0 0 "[ . 1 . 2]" 1
55 1 11 THR H 1 14 GLN H . . 3.890 3.239 3.093 3.355 . 0 0 "[ . 1 . 2]" 1
56 1 11 THR H 1 14 GLN HB2 . . 3.850 1.975 1.905 2.080 . 0 0 "[ . 1 . 2]" 1
57 1 11 THR H 1 14 GLN HB3 . . 3.630 3.336 3.228 3.432 . 0 0 "[ . 1 . 2]" 1
58 1 11 THR H 1 14 GLN QE . . 4.780 3.131 2.323 4.463 . 0 0 "[ . 1 . 2]" 1
59 1 11 THR H 1 14 GLN HG2 . . 4.520 3.688 3.429 3.988 . 0 0 "[ . 1 . 2]" 1
60 1 11 THR H 1 14 GLN HG3 . . 4.520 2.168 1.904 2.515 . 0 0 "[ . 1 . 2]" 1
61 1 11 THR H 1 60 ALA MB . . 4.660 3.156 2.711 3.626 . 0 0 "[ . 1 . 2]" 1
62 1 11 THR HA 1 11 THR MG . . 3.110 2.494 2.383 2.590 . 0 0 "[ . 1 . 2]" 1
63 1 11 THR HA 1 12 GLY H . . 3.540 2.484 2.330 2.634 . 0 0 "[ . 1 . 2]" 1
64 1 11 THR HA 1 12 GLY HA2 . . 5.190 4.305 4.300 4.318 . 0 0 "[ . 1 . 2]" 1
65 1 11 THR HA 1 12 GLY HA3 . . 5.000 4.615 4.536 4.703 . 0 0 "[ . 1 . 2]" 1
66 1 11 THR HA 1 13 PHE H . . 4.770 4.581 4.352 4.751 . 0 0 "[ . 1 . 2]" 1
67 1 11 THR HA 1 14 GLN H . . 5.120 4.560 4.454 4.714 . 0 0 "[ . 1 . 2]" 1
68 1 11 THR HA 1 60 ALA MB . . 3.840 2.468 2.211 2.808 . 0 0 "[ . 1 . 2]" 1
69 1 11 THR HB 1 12 GLY H . . 3.690 2.376 2.045 2.679 . 0 0 "[ . 1 . 2]" 1
70 1 11 THR HB 1 13 PHE H . . 3.780 3.499 3.303 3.693 . 0 0 "[ . 1 . 2]" 1
71 1 11 THR HB 1 14 GLN H . . 4.440 4.301 4.157 4.441 0.001 19 0 "[ . 1 . 2]" 1
72 1 11 THR MG 1 12 GLY H . . 4.430 3.866 3.661 4.018 . 0 0 "[ . 1 . 2]" 1
73 1 11 THR MG 1 13 PHE H . . 4.580 4.496 4.297 4.580 . 0 0 "[ . 1 . 2]" 1
74 1 11 THR MG 1 14 GLN H . . 4.460 4.157 3.931 4.392 . 0 0 "[ . 1 . 2]" 1
75 1 11 THR MG 1 14 GLN HB2 . . 4.540 4.064 3.751 4.384 . 0 0 "[ . 1 . 2]" 1
76 1 11 THR MG 1 14 GLN HB3 . . 5.320 5.019 4.777 5.300 . 0 0 "[ . 1 . 2]" 1
77 1 11 THR MG 1 14 GLN HE21 . . 5.170 2.619 1.889 5.048 . 0 0 "[ . 1 . 2]" 1
78 1 11 THR MG 1 14 GLN QE . . 4.560 2.517 1.879 4.362 . 0 0 "[ . 1 . 2]" 1
79 1 11 THR MG 1 14 GLN HE22 . . 5.170 3.598 3.067 4.772 . 0 0 "[ . 1 . 2]" 1
80 1 11 THR MG 1 14 GLN HG2 . . 4.480 4.172 3.885 4.444 . 0 0 "[ . 1 . 2]" 1
81 1 11 THR MG 1 14 GLN QG . . 3.940 2.734 2.445 2.996 . 0 0 "[ . 1 . 2]" 1
82 1 11 THR MG 1 14 GLN HG3 . . 4.480 2.772 2.470 3.050 . 0 0 "[ . 1 . 2]" 1
83 1 12 GLY H 1 13 PHE H . . 3.780 2.908 2.787 3.047 . 0 0 "[ . 1 . 2]" 1
84 1 12 GLY H 1 15 MET H . . 5.500 4.874 4.805 4.956 . 0 0 "[ . 1 . 2]" 1
85 1 12 GLY H 1 57 ALA HA . . 4.520 2.480 2.006 2.896 . 0 0 "[ . 1 . 2]" 1
86 1 12 GLY H 1 57 ALA MB . . 4.980 3.291 2.710 3.776 . 0 0 "[ . 1 . 2]" 1
87 1 12 GLY H 1 60 ALA MB . . 4.230 3.128 2.910 3.365 . 0 0 "[ . 1 . 2]" 1
88 1 12 GLY HA2 1 15 MET H . . 4.250 3.456 3.372 3.591 . 0 0 "[ . 1 . 2]" 1
89 1 12 GLY HA2 1 15 MET HB2 . . 4.410 2.778 2.668 2.908 . 0 0 "[ . 1 . 2]" 1
90 1 12 GLY HA2 1 15 MET HB3 . . 4.660 4.328 4.234 4.469 . 0 0 "[ . 1 . 2]" 1
91 1 12 GLY HA2 1 15 MET QG . . 4.780 3.807 3.677 3.941 . 0 0 "[ . 1 . 2]" 1
92 1 12 GLY HA2 1 16 TRP H . . 4.690 4.001 3.880 4.097 . 0 0 "[ . 1 . 2]" 1
93 1 12 GLY HA2 1 45 PHE HZ . . 5.050 3.845 3.539 4.156 . 0 0 "[ . 1 . 2]" 1
94 1 12 GLY HA2 1 56 TRP HB2 . . 4.510 4.109 3.700 4.498 . 0 0 "[ . 1 . 2]" 1
95 1 12 GLY HA2 1 57 ALA H . . 4.290 3.998 3.667 4.259 . 0 0 "[ . 1 . 2]" 1
96 1 12 GLY HA2 1 57 ALA HA . . 3.640 2.486 2.212 2.766 . 0 0 "[ . 1 . 2]" 1
97 1 12 GLY HA2 1 57 ALA MB . . 4.240 3.928 3.754 4.118 . 0 0 "[ . 1 . 2]" 1
98 1 12 GLY HA2 1 60 ALA H . . 4.530 3.489 3.294 3.746 . 0 0 "[ . 1 . 2]" 1
99 1 12 GLY HA2 1 60 ALA MB . . 3.440 2.650 2.387 2.922 . 0 0 "[ . 1 . 2]" 1
100 1 12 GLY HA3 1 13 PHE HB3 . . 5.490 5.328 5.274 5.404 . 0 0 "[ . 1 . 2]" 1
101 1 12 GLY HA3 1 15 MET H . . 4.940 4.592 4.503 4.728 . 0 0 "[ . 1 . 2]" 1
102 1 12 GLY HA3 1 15 MET HB2 . . 4.710 4.376 4.268 4.513 . 0 0 "[ . 1 . 2]" 1
103 1 12 GLY HA3 1 15 MET QG . . 5.500 5.354 5.232 5.482 . 0 0 "[ . 1 . 2]" 1
104 1 12 GLY HA3 1 16 TRP H . . 5.140 4.816 4.705 4.937 . 0 0 "[ . 1 . 2]" 1
105 1 12 GLY HA3 1 16 TRP HB3 . . 5.500 5.396 5.243 5.500 . 0 0 "[ . 1 . 2]" 1
106 1 12 GLY HA3 1 45 PHE HZ . . 4.260 2.495 2.191 2.736 . 0 0 "[ . 1 . 2]" 1
107 1 12 GLY HA3 1 56 TRP HB2 . . 4.420 3.770 3.269 4.416 . 0 0 "[ . 1 . 2]" 1
108 1 12 GLY HA3 1 56 TRP HB3 . . 4.180 3.228 2.938 3.757 . 0 0 "[ . 1 . 2]" 1
109 1 12 GLY HA3 1 57 ALA H . . 4.300 3.466 3.000 3.807 . 0 0 "[ . 1 . 2]" 1
110 1 12 GLY HA3 1 57 ALA HA . . 3.650 2.137 2.000 2.541 . 0 0 "[ . 1 . 2]" 1
111 1 12 GLY HA3 1 57 ALA MB . . 4.220 2.899 2.714 3.266 . 0 0 "[ . 1 . 2]" 1
112 1 12 GLY HA3 1 60 ALA MB . . 4.300 3.835 3.614 4.094 . 0 0 "[ . 1 . 2]" 1
113 1 13 PHE H 1 13 PHE HB2 . . 3.140 2.471 2.418 2.566 . 0 0 "[ . 1 . 2]" 1
114 1 13 PHE H 1 13 PHE HB3 . . 3.180 2.594 2.506 2.646 . 0 0 "[ . 1 . 2]" 1
115 1 13 PHE H 1 13 PHE QD . . 4.250 4.152 4.130 4.176 . 0 0 "[ . 1 . 2]" 1
116 1 13 PHE H 1 14 GLN H . . 3.680 2.657 2.511 2.724 . 0 0 "[ . 1 . 2]" 1
117 1 13 PHE H 1 15 MET H . . 4.620 4.137 3.995 4.207 . 0 0 "[ . 1 . 2]" 1
118 1 13 PHE H 1 45 PHE QE . . 4.620 3.512 3.061 3.816 . 0 0 "[ . 1 . 2]" 1
119 1 13 PHE H 1 45 PHE HZ . . 4.610 3.304 2.906 3.676 . 0 0 "[ . 1 . 2]" 1
120 1 13 PHE HA 1 13 PHE QD . . 3.260 2.062 1.998 2.149 . 0 0 "[ . 1 . 2]" 1
121 1 13 PHE HA 1 13 PHE QE . . 4.360 4.322 4.283 4.361 0.001 12 0 "[ . 1 . 2]" 1
122 1 13 PHE HA 1 15 MET H . . 5.140 4.221 4.066 4.393 . 0 0 "[ . 1 . 2]" 1
123 1 13 PHE HA 1 16 TRP H . . 3.980 3.535 3.463 3.700 . 0 0 "[ . 1 . 2]" 1
124 1 13 PHE HA 1 16 TRP HB2 . . 4.390 4.212 4.126 4.373 . 0 0 "[ . 1 . 2]" 1
125 1 13 PHE HA 1 16 TRP HB3 . . 3.690 2.800 2.712 2.939 . 0 0 "[ . 1 . 2]" 1
126 1 13 PHE HA 1 16 TRP HE3 . . 4.670 3.699 3.587 3.786 . 0 0 "[ . 1 . 2]" 1
127 1 13 PHE HA 1 17 LEU H . . 4.410 3.280 3.178 3.410 . 0 0 "[ . 1 . 2]" 1
128 1 13 PHE HA 1 45 PHE QD . . 5.050 3.556 3.300 3.743 . 0 0 "[ . 1 . 2]" 1
129 1 13 PHE HA 1 45 PHE QE . . 4.030 3.185 2.853 3.408 . 0 0 "[ . 1 . 2]" 1
130 1 13 PHE HA 1 45 PHE HZ . . 4.480 3.473 3.246 3.700 . 0 0 "[ . 1 . 2]" 1
131 1 13 PHE HB2 1 14 GLN H . . 4.210 3.918 3.835 4.025 . 0 0 "[ . 1 . 2]" 1
132 1 13 PHE HB2 1 17 LEU MD2 . . 5.500 5.417 5.315 5.494 . 0 0 "[ . 1 . 2]" 1
133 1 13 PHE HB2 1 45 PHE QE . . 4.830 3.012 2.339 3.337 . 0 0 "[ . 1 . 2]" 1
134 1 13 PHE HB3 1 14 GLN H . . 4.410 2.739 2.616 2.860 . 0 0 "[ . 1 . 2]" 1
135 1 13 PHE HB3 1 14 GLN HA . . 4.370 4.221 4.155 4.312 . 0 0 "[ . 1 . 2]" 1
136 1 13 PHE HB3 1 45 PHE QE . . 4.940 4.538 3.938 4.819 . 0 0 "[ . 1 . 2]" 1
137 1 13 PHE QD 1 14 GLN H . . 4.320 4.247 4.163 4.304 . 0 0 "[ . 1 . 2]" 1
138 1 13 PHE QD 1 14 GLN HA . . 4.580 4.517 4.407 4.581 0.001 19 0 "[ . 1 . 2]" 1
139 1 13 PHE QD 1 14 GLN HG2 . . 5.030 4.257 4.012 4.562 . 0 0 "[ . 1 . 2]" 1
140 1 13 PHE QD 1 14 GLN QG . . 4.190 3.963 3.829 4.133 . 0 0 "[ . 1 . 2]" 1
141 1 13 PHE QD 1 14 GLN HG3 . . 5.030 4.746 4.581 4.908 . 0 0 "[ . 1 . 2]" 1
142 1 13 PHE QD 1 16 TRP HE3 . . 4.090 2.931 2.637 3.073 . 0 0 "[ . 1 . 2]" 1
143 1 13 PHE QD 1 17 LEU H . . 5.010 3.713 3.474 3.810 . 0 0 "[ . 1 . 2]" 1
144 1 13 PHE QD 1 17 LEU HB2 . . 5.020 3.252 3.064 3.369 . 0 0 "[ . 1 . 2]" 1
145 1 13 PHE QD 1 17 LEU MD2 . . 4.750 3.438 3.263 3.582 . 0 0 "[ . 1 . 2]" 1
146 1 13 PHE QD 1 38 ILE MG . . 4.610 3.977 3.801 4.096 . 0 0 "[ . 1 . 2]" 1
147 1 13 PHE QD 1 42 MET H . . 5.500 5.406 5.172 5.500 0.000 19 0 "[ . 1 . 2]" 1
148 1 13 PHE QD 1 42 MET HA . . 4.370 4.077 3.917 4.267 . 0 0 "[ . 1 . 2]" 1
149 1 13 PHE QD 1 42 MET ME . . 4.420 3.982 3.660 4.220 . 0 0 "[ . 1 . 2]" 1
150 1 13 PHE QD 1 42 MET QG . . 4.670 3.862 3.634 4.148 . 0 0 "[ . 1 . 2]" 1
151 1 13 PHE QD 1 45 PHE H . . 5.200 5.127 5.027 5.195 . 0 0 "[ . 1 . 2]" 1
152 1 13 PHE QD 1 45 PHE HB2 . . 3.730 2.799 2.682 2.910 . 0 0 "[ . 1 . 2]" 1
153 1 13 PHE QD 1 45 PHE HB3 . . 3.660 3.288 3.179 3.417 . 0 0 "[ . 1 . 2]" 1
154 1 13 PHE QE 1 16 TRP HE3 . . 3.870 3.090 2.836 3.189 . 0 0 "[ . 1 . 2]" 1
155 1 13 PHE QE 1 16 TRP HZ3 . . 3.650 2.493 2.163 2.754 . 0 0 "[ . 1 . 2]" 1
156 1 13 PHE QE 1 17 LEU H . . 4.700 4.636 4.405 4.700 . 20 0 "[ . 1 . 2]" 1
157 1 13 PHE QE 1 17 LEU HA . . 5.080 4.130 3.791 4.284 . 0 0 "[ . 1 . 2]" 1
158 1 13 PHE QE 1 17 LEU HB2 . . 4.690 3.199 2.914 3.402 . 0 0 "[ . 1 . 2]" 1
159 1 13 PHE QE 1 17 LEU MD1 . . 3.780 2.680 2.493 2.800 . 0 0 "[ . 1 . 2]" 1
160 1 13 PHE QE 1 17 LEU MD2 . . 3.790 2.815 2.615 3.006 . 0 0 "[ . 1 . 2]" 1
161 1 13 PHE QE 1 38 ILE HA . . 4.210 3.663 3.458 3.858 . 0 0 "[ . 1 . 2]" 1
162 1 13 PHE QE 1 38 ILE HB . . 5.270 4.825 4.667 4.940 . 0 0 "[ . 1 . 2]" 1
163 1 13 PHE QE 1 38 ILE HG12 . . 4.760 3.578 3.090 3.872 . 0 0 "[ . 1 . 2]" 1
164 1 13 PHE QE 1 38 ILE HG13 . . 5.500 4.993 4.616 5.279 . 0 0 "[ . 1 . 2]" 1
165 1 13 PHE QE 1 38 ILE MG . . 3.270 1.975 1.915 2.038 . 0 0 "[ . 1 . 2]" 1
166 1 13 PHE QE 1 41 GLY H . . 4.970 4.417 4.291 4.503 . 0 0 "[ . 1 . 2]" 1
167 1 13 PHE QE 1 41 GLY HA2 . . 4.240 3.390 3.307 3.527 . 0 0 "[ . 1 . 2]" 1
168 1 13 PHE QE 1 41 GLY HA3 . . 3.870 2.468 2.331 2.633 . 0 0 "[ . 1 . 2]" 1
169 1 13 PHE QE 1 42 MET H . . 3.900 3.432 3.256 3.645 . 0 0 "[ . 1 . 2]" 1
170 1 13 PHE QE 1 42 MET HA . . 3.560 3.044 2.865 3.409 . 0 0 "[ . 1 . 2]" 1
171 1 13 PHE QE 1 42 MET ME . . 4.050 3.394 2.802 3.705 . 0 0 "[ . 1 . 2]" 1
172 1 13 PHE QE 1 42 MET HG2 . . 4.380 3.262 2.775 3.579 . 0 0 "[ . 1 . 2]" 1
173 1 13 PHE QE 1 42 MET QG . . 3.840 2.866 2.699 3.127 . 0 0 "[ . 1 . 2]" 1
174 1 13 PHE QE 1 42 MET HG3 . . 4.380 3.306 2.937 3.883 . 0 0 "[ . 1 . 2]" 1
175 1 13 PHE QE 1 45 PHE H . . 4.410 4.185 4.074 4.360 . 0 0 "[ . 1 . 2]" 1
176 1 13 PHE QE 1 45 PHE HB2 . . 3.910 2.746 2.548 2.917 . 0 0 "[ . 1 . 2]" 1
177 1 13 PHE QE 1 45 PHE HB3 . . 4.150 3.386 3.211 3.615 . 0 0 "[ . 1 . 2]" 1
178 1 13 PHE HZ 1 16 TRP HZ3 . . 5.070 4.161 3.989 4.369 . 0 0 "[ . 1 . 2]" 1
179 1 13 PHE HZ 1 17 LEU MD1 . . 3.950 2.622 2.341 2.898 . 0 0 "[ . 1 . 2]" 1
180 1 13 PHE HZ 1 17 LEU MD2 . . 3.930 2.984 2.753 3.129 . 0 0 "[ . 1 . 2]" 1
181 1 13 PHE HZ 1 38 ILE HA . . 3.770 2.674 2.434 2.867 . 0 0 "[ . 1 . 2]" 1
182 1 13 PHE HZ 1 38 ILE HB . . 5.490 4.912 4.789 5.057 . 0 0 "[ . 1 . 2]" 1
183 1 13 PHE HZ 1 38 ILE HG13 . . 5.500 5.080 4.796 5.317 . 0 0 "[ . 1 . 2]" 1
184 1 13 PHE HZ 1 38 ILE MG . . 3.630 2.584 2.308 2.794 . 0 0 "[ . 1 . 2]" 1
185 1 13 PHE HZ 1 41 GLY H . . 4.860 3.808 3.629 4.005 . 0 0 "[ . 1 . 2]" 1
186 1 13 PHE HZ 1 41 GLY HA2 . . 4.440 4.341 4.102 4.441 0.001 10 0 "[ . 1 . 2]" 1
187 1 13 PHE HZ 1 41 GLY HA3 . . 4.600 2.714 2.467 2.847 . 0 0 "[ . 1 . 2]" 1
188 1 13 PHE HZ 1 42 MET H . . 3.780 2.916 2.748 3.111 . 0 0 "[ . 1 . 2]" 1
189 1 13 PHE HZ 1 42 MET HA . . 4.430 3.805 3.619 4.046 . 0 0 "[ . 1 . 2]" 1
190 1 13 PHE HZ 1 42 MET HB2 . . 5.060 4.362 4.029 4.640 . 0 0 "[ . 1 . 2]" 1
191 1 13 PHE HZ 1 42 MET ME . . 4.580 4.337 3.817 4.566 . 0 0 "[ . 1 . 2]" 1
192 1 13 PHE HZ 1 42 MET HG2 . . 4.480 3.125 2.046 3.768 . 0 0 "[ . 1 . 2]" 1
193 1 13 PHE HZ 1 42 MET QG . . 3.870 2.422 2.035 2.975 . 0 0 "[ . 1 . 2]" 1
194 1 13 PHE HZ 1 42 MET HG3 . . 4.480 2.863 2.088 3.863 . 0 0 "[ . 1 . 2]" 1
195 1 14 GLN H 1 14 GLN HB2 . . 3.660 2.456 2.326 2.571 . 0 0 "[ . 1 . 2]" 1
196 1 14 GLN H 1 14 GLN HB3 . . 3.690 3.587 3.560 3.597 . 0 0 "[ . 1 . 2]" 1
197 1 14 GLN H 1 14 GLN HG2 . . 3.350 3.119 2.856 3.349 . 0 0 "[ . 1 . 2]" 1
198 1 14 GLN H 1 14 GLN HG3 . . 3.350 2.478 2.285 2.705 . 0 0 "[ . 1 . 2]" 1
199 1 14 GLN H 1 15 MET H . . 3.340 2.576 2.520 2.665 . 0 0 "[ . 1 . 2]" 1
200 1 14 GLN H 1 15 MET QG . . 5.270 4.893 4.812 5.010 . 0 0 "[ . 1 . 2]" 1
201 1 14 GLN H 1 16 TRP H . . 5.010 4.254 4.166 4.406 . 0 0 "[ . 1 . 2]" 1
202 1 14 GLN H 1 17 LEU H . . 5.250 4.649 4.606 4.707 . 0 0 "[ . 1 . 2]" 1
203 1 14 GLN H 1 17 LEU HB3 . . 5.480 4.970 4.881 5.069 . 0 0 "[ . 1 . 2]" 1
204 1 14 GLN H 1 60 ALA MB . . 5.500 4.200 3.943 4.511 . 0 0 "[ . 1 . 2]" 1
205 1 14 GLN HA 1 14 GLN HG2 . . 3.590 2.375 2.253 2.466 . 0 0 "[ . 1 . 2]" 1
206 1 14 GLN HA 1 14 GLN HG3 . . 3.590 3.363 3.245 3.491 . 0 0 "[ . 1 . 2]" 1
207 1 14 GLN HA 1 16 TRP H . . 5.500 4.793 4.681 4.969 . 0 0 "[ . 1 . 2]" 1
208 1 14 GLN HA 1 17 LEU H . . 4.350 3.995 3.888 4.159 . 0 0 "[ . 1 . 2]" 1
209 1 14 GLN HA 1 17 LEU HB2 . . 4.070 3.915 3.742 4.038 . 0 0 "[ . 1 . 2]" 1
210 1 14 GLN HA 1 17 LEU HB3 . . 3.470 2.900 2.736 3.066 . 0 0 "[ . 1 . 2]" 1
211 1 14 GLN HA 1 17 LEU MD2 . . 3.990 3.509 3.356 3.619 . 0 0 "[ . 1 . 2]" 1
212 1 14 GLN HA 1 17 LEU HG . . 5.250 5.062 4.875 5.207 . 0 0 "[ . 1 . 2]" 1
213 1 14 GLN HA 1 18 GLU H . . 4.540 3.950 3.806 4.124 . 0 0 "[ . 1 . 2]" 1
214 1 14 GLN HB2 1 14 GLN HE22 . . 5.170 4.648 4.232 4.936 . 0 0 "[ . 1 . 2]" 1
215 1 14 GLN HB2 1 15 MET H . . 3.870 2.788 2.623 2.939 . 0 0 "[ . 1 . 2]" 1
216 1 14 GLN HB2 1 15 MET HA . . 4.950 4.392 4.214 4.557 . 0 0 "[ . 1 . 2]" 1
217 1 14 GLN HB2 1 15 MET QG . . 4.340 3.773 3.678 3.930 . 0 0 "[ . 1 . 2]" 1
218 1 14 GLN HB2 1 16 TRP H . . 5.500 5.245 5.144 5.382 . 0 0 "[ . 1 . 2]" 1
219 1 14 GLN HB2 1 60 ALA MB . . 3.900 3.409 3.131 3.820 . 0 0 "[ . 1 . 2]" 1
220 1 14 GLN HB3 1 15 MET H . . 3.870 3.763 3.533 3.860 . 0 0 "[ . 1 . 2]" 1
221 1 14 GLN HB3 1 15 MET HA . . 4.750 4.450 4.246 4.569 . 0 0 "[ . 1 . 2]" 1
222 1 14 GLN HB3 1 15 MET QG . . 5.190 4.501 4.272 4.749 . 0 0 "[ . 1 . 2]" 1
223 1 14 GLN QG 1 17 LEU HB3 . . 5.340 4.754 4.613 4.872 . 0 0 "[ . 1 . 2]" 1
224 1 14 GLN QG 1 17 LEU MD2 . . 5.340 4.202 4.069 4.359 . 0 0 "[ . 1 . 2]" 1
225 1 15 MET H 1 15 MET HB2 . . 3.070 2.187 2.178 2.212 . 0 0 "[ . 1 . 2]" 1
226 1 15 MET H 1 15 MET HB3 . . 3.690 3.488 3.481 3.507 . 0 0 "[ . 1 . 2]" 1
227 1 15 MET H 1 15 MET QG . . 3.180 2.950 2.845 3.043 . 0 0 "[ . 1 . 2]" 1
228 1 15 MET H 1 16 TRP H . . 3.270 2.546 2.470 2.731 . 0 0 "[ . 1 . 2]" 1
229 1 15 MET H 1 16 TRP HB2 . . 5.500 5.112 5.007 5.319 . 0 0 "[ . 1 . 2]" 1
230 1 15 MET H 1 17 LEU H . . 4.490 4.050 3.933 4.145 . 0 0 "[ . 1 . 2]" 1
231 1 15 MET H 1 18 GLU H . . 5.240 4.672 4.600 4.783 . 0 0 "[ . 1 . 2]" 1
232 1 15 MET H 1 60 ALA MB . . 4.300 3.256 2.994 3.598 . 0 0 "[ . 1 . 2]" 1
233 1 15 MET HA 1 15 MET ME . . 4.100 4.039 3.928 4.099 . 0 0 "[ . 1 . 2]" 1
234 1 15 MET HA 1 15 MET QG . . 3.330 2.524 2.447 2.662 . 0 0 "[ . 1 . 2]" 1
235 1 15 MET HA 1 17 LEU H . . 5.090 4.835 4.760 4.895 . 0 0 "[ . 1 . 2]" 1
236 1 15 MET HA 1 18 GLU H . . 3.960 3.866 3.798 3.932 . 0 0 "[ . 1 . 2]" 1
237 1 15 MET HA 1 18 GLU QB . . 4.020 3.948 3.882 4.010 . 0 0 "[ . 1 . 2]" 1
238 1 15 MET HA 1 18 GLU HG2 . . 4.170 2.207 2.053 2.381 . 0 0 "[ . 1 . 2]" 1
239 1 15 MET HA 1 18 GLU QG . . 3.510 2.189 2.036 2.361 . 0 0 "[ . 1 . 2]" 1
240 1 15 MET HA 1 18 GLU HG3 . . 4.170 3.641 3.358 3.892 . 0 0 "[ . 1 . 2]" 1
241 1 15 MET HA 1 56 TRP HE3 . . 4.970 4.828 4.594 4.969 . 0 0 "[ . 1 . 2]" 1
242 1 15 MET HA 1 56 TRP HZ3 . . 4.920 4.770 4.551 4.905 . 0 0 "[ . 1 . 2]" 1
243 1 15 MET HB2 1 15 MET ME . . 4.020 3.647 3.455 3.871 . 0 0 "[ . 1 . 2]" 1
244 1 15 MET HB2 1 16 TRP H . . 3.360 2.682 2.579 2.747 . 0 0 "[ . 1 . 2]" 1
245 1 15 MET HB2 1 16 TRP HB2 . . 4.800 4.608 4.567 4.645 . 0 0 "[ . 1 . 2]" 1
246 1 15 MET HB2 1 16 TRP HB3 . . 4.990 4.923 4.831 4.980 . 0 0 "[ . 1 . 2]" 1
247 1 15 MET HB2 1 17 LEU H . . 5.500 5.162 5.080 5.222 . 0 0 "[ . 1 . 2]" 1
248 1 15 MET HB2 1 56 TRP HA . . 4.930 4.411 4.158 4.669 . 0 0 "[ . 1 . 2]" 1
249 1 15 MET HB2 1 56 TRP HB3 . . 5.010 3.606 3.211 3.911 . 0 0 "[ . 1 . 2]" 1
250 1 15 MET HB2 1 56 TRP HE3 . . 3.480 2.974 2.772 3.273 . 0 0 "[ . 1 . 2]" 1
251 1 15 MET HB2 1 56 TRP HZ3 . . 5.160 4.424 4.192 4.667 . 0 0 "[ . 1 . 2]" 1
252 1 15 MET HB2 1 59 LYS HB2 . . 4.420 3.878 3.516 4.047 . 0 0 "[ . 1 . 2]" 1
253 1 15 MET HB2 1 60 ALA HA . . 4.780 4.395 4.109 4.647 . 0 0 "[ . 1 . 2]" 1
254 1 15 MET HB2 1 60 ALA MB . . 3.910 2.872 2.723 3.268 . 0 0 "[ . 1 . 2]" 1
255 1 15 MET HB3 1 15 MET ME . . 3.260 2.707 2.436 3.025 . 0 0 "[ . 1 . 2]" 1
256 1 15 MET HB3 1 16 TRP H . . 3.520 3.142 2.993 3.226 . 0 0 "[ . 1 . 2]" 1
257 1 15 MET HB3 1 16 TRP HB2 . . 4.770 4.618 4.567 4.679 . 0 0 "[ . 1 . 2]" 1
258 1 15 MET HB3 1 16 TRP HB3 . . 5.390 5.300 5.189 5.363 . 0 0 "[ . 1 . 2]" 1
259 1 15 MET HB3 1 56 TRP HA . . 4.790 4.413 4.186 4.613 . 0 0 "[ . 1 . 2]" 1
260 1 15 MET HB3 1 56 TRP HB3 . . 4.940 4.208 3.962 4.390 . 0 0 "[ . 1 . 2]" 1
261 1 15 MET HB3 1 56 TRP HE3 . . 3.560 2.247 2.052 2.396 . 0 0 "[ . 1 . 2]" 1
262 1 15 MET HB3 1 56 TRP HZ3 . . 3.760 2.798 2.618 3.018 . 0 0 "[ . 1 . 2]" 1
263 1 15 MET HB3 1 59 LYS HB3 . . 5.020 4.375 3.932 4.563 . 0 0 "[ . 1 . 2]" 1
264 1 15 MET HB3 1 60 ALA H . . 5.130 4.511 4.307 4.708 . 0 0 "[ . 1 . 2]" 1
265 1 15 MET HB3 1 60 ALA HA . . 5.240 4.920 4.654 5.123 . 0 0 "[ . 1 . 2]" 1
266 1 15 MET HB3 1 60 ALA MB . . 4.370 3.977 3.831 4.315 . 0 0 "[ . 1 . 2]" 1
267 1 15 MET ME 1 15 MET QG . . 3.180 2.166 1.988 2.291 . 0 0 "[ . 1 . 2]" 1
268 1 15 MET ME 1 56 TRP HA . . 5.500 4.559 4.169 4.904 . 0 0 "[ . 1 . 2]" 1
269 1 15 MET ME 1 56 TRP HE3 . . 4.220 3.364 2.967 3.823 . 0 0 "[ . 1 . 2]" 1
270 1 15 MET ME 1 56 TRP HZ3 . . 3.980 2.958 2.407 3.529 . 0 0 "[ . 1 . 2]" 1
271 1 15 MET ME 1 59 LYS HA . . 4.020 3.778 3.588 3.977 . 0 0 "[ . 1 . 2]" 1
272 1 15 MET ME 1 59 LYS HB2 . . 4.080 2.610 2.182 2.882 . 0 0 "[ . 1 . 2]" 1
273 1 15 MET ME 1 59 LYS HB3 . . 3.660 1.981 1.802 2.123 . 0 0 "[ . 1 . 2]" 1
274 1 15 MET ME 1 59 LYS HD2 . . 4.290 3.712 3.008 4.269 . 0 0 "[ . 1 . 2]" 1
275 1 15 MET ME 1 59 LYS QD . . 3.580 2.664 2.339 3.009 . 0 0 "[ . 1 . 2]" 1
276 1 15 MET ME 1 59 LYS HD3 . . 4.290 2.766 2.394 3.354 . 0 0 "[ . 1 . 2]" 1
277 1 15 MET ME 1 59 LYS HG2 . . 4.640 3.914 3.572 4.206 . 0 0 "[ . 1 . 2]" 1
278 1 15 MET ME 1 59 LYS HG3 . . 4.640 4.309 3.926 4.629 . 0 0 "[ . 1 . 2]" 1
279 1 15 MET ME 1 60 ALA H . . 4.490 3.526 3.303 3.774 . 0 0 "[ . 1 . 2]" 1
280 1 15 MET ME 1 60 ALA HA . . 3.290 3.125 2.691 3.259 . 0 0 "[ . 1 . 2]" 1
281 1 15 MET ME 1 60 ALA MB . . 4.020 3.770 3.529 4.013 . 0 0 "[ . 1 . 2]" 1
282 1 15 MET QG 1 16 TRP H . . 4.650 4.287 4.231 4.320 . 0 0 "[ . 1 . 2]" 1
283 1 15 MET QG 1 56 TRP HE3 . . 4.050 3.738 3.553 3.966 . 0 0 "[ . 1 . 2]" 1
284 1 15 MET QG 1 56 TRP HZ3 . . 4.670 4.503 4.343 4.666 . 0 0 "[ . 1 . 2]" 1
285 1 15 MET QG 1 59 LYS H . . 5.220 4.724 4.487 4.987 . 0 0 "[ . 1 . 2]" 1
286 1 15 MET QG 1 59 LYS HA . . 5.040 4.860 4.480 5.040 0.000 2 0 "[ . 1 . 2]" 1
287 1 15 MET QG 1 59 LYS HB2 . . 4.500 2.980 2.641 3.273 . 0 0 "[ . 1 . 2]" 1
288 1 15 MET QG 1 59 LYS HB3 . . 4.240 3.428 2.978 3.654 . 0 0 "[ . 1 . 2]" 1
289 1 15 MET QG 1 60 ALA H . . 4.250 2.667 2.447 2.890 . 0 0 "[ . 1 . 2]" 1
290 1 15 MET QG 1 60 ALA HA . . 3.860 2.292 2.051 2.458 . 0 0 "[ . 1 . 2]" 1
291 1 15 MET QG 1 60 ALA MB . . 3.580 1.942 1.821 2.159 . 0 0 "[ . 1 . 2]" 1
292 1 16 TRP H 1 16 TRP HB2 . . 3.170 2.671 2.599 2.692 . 0 0 "[ . 1 . 2]" 1
293 1 16 TRP H 1 16 TRP HB3 . . 3.020 2.414 2.395 2.460 . 0 0 "[ . 1 . 2]" 1
294 1 16 TRP H 1 16 TRP HD1 . . 5.150 5.131 5.062 5.151 0.001 8 0 "[ . 1 . 2]" 1
295 1 16 TRP H 1 16 TRP HE3 . . 4.880 4.407 4.374 4.520 . 0 0 "[ . 1 . 2]" 1
296 1 16 TRP H 1 17 LEU H . . 3.340 2.675 2.624 2.787 . 0 0 "[ . 1 . 2]" 1
297 1 16 TRP H 1 17 LEU HB2 . . 5.280 4.927 4.849 4.993 . 0 0 "[ . 1 . 2]" 1
298 1 16 TRP H 1 17 LEU HB3 . . 5.500 4.845 4.757 4.999 . 0 0 "[ . 1 . 2]" 1
299 1 16 TRP H 1 18 GLU H . . 4.940 4.129 4.042 4.396 . 0 0 "[ . 1 . 2]" 1
300 1 16 TRP H 1 56 TRP HB2 . . 5.210 5.083 4.794 5.210 0.000 18 0 "[ . 1 . 2]" 1
301 1 16 TRP H 1 56 TRP HB3 . . 4.460 3.530 3.315 3.633 . 0 0 "[ . 1 . 2]" 1
302 1 16 TRP H 1 56 TRP HE3 . . 4.080 3.723 3.361 3.828 . 0 0 "[ . 1 . 2]" 1
303 1 16 TRP H 1 56 TRP HZ3 . . 4.940 4.851 4.506 4.939 . 0 0 "[ . 1 . 2]" 1
304 1 16 TRP H 1 60 ALA MB . . 5.500 4.890 4.700 5.219 . 0 0 "[ . 1 . 2]" 1
305 1 16 TRP HA 1 16 TRP HD1 . . 4.240 3.379 3.361 3.393 . 0 0 "[ . 1 . 2]" 1
306 1 16 TRP HA 1 16 TRP HE3 . . 5.230 4.419 4.373 4.459 . 0 0 "[ . 1 . 2]" 1
307 1 16 TRP HA 1 19 GLU H . . 4.480 3.267 3.163 3.350 . 0 0 "[ . 1 . 2]" 1
308 1 16 TRP HA 1 20 ASN H . . 4.560 4.181 4.071 4.295 . 0 0 "[ . 1 . 2]" 1
309 1 16 TRP HA 1 20 ASN HD21 . . 4.160 2.857 2.714 3.030 . 0 0 "[ . 1 . 2]" 1
310 1 16 TRP HA 1 20 ASN HD22 . . 4.480 3.439 3.201 3.653 . 0 0 "[ . 1 . 2]" 1
311 1 16 TRP HA 1 56 TRP HE3 . . 4.370 3.962 3.528 4.163 . 0 0 "[ . 1 . 2]" 1
312 1 16 TRP HA 1 56 TRP HH2 . . 4.240 4.052 3.622 4.173 . 0 0 "[ . 1 . 2]" 1
313 1 16 TRP HA 1 56 TRP HZ2 . . 4.750 4.314 4.148 4.539 . 0 0 "[ . 1 . 2]" 1
314 1 16 TRP HA 1 56 TRP HZ3 . . 4.110 3.870 3.283 4.052 . 0 0 "[ . 1 . 2]" 1
315 1 16 TRP HB2 1 16 TRP HD1 . . 3.850 2.622 2.616 2.628 . 0 0 "[ . 1 . 2]" 1
316 1 16 TRP HB2 1 16 TRP HE1 . . 4.920 4.775 4.773 4.777 . 0 0 "[ . 1 . 2]" 1
317 1 16 TRP HB2 1 17 LEU H . . 3.860 3.851 3.821 3.861 0.001 5 0 "[ . 1 . 2]" 1
318 1 16 TRP HB2 1 45 PHE QE . . 4.070 2.405 2.000 2.820 . 0 0 "[ . 1 . 2]" 1
319 1 16 TRP HB2 1 45 PHE HZ . . 5.010 4.583 4.180 4.948 . 0 0 "[ . 1 . 2]" 1
320 1 16 TRP HB2 1 48 LEU MD1 . . 3.630 3.546 3.359 3.630 . 19 0 "[ . 1 . 2]" 1
321 1 16 TRP HB2 1 56 TRP HB2 . . 5.030 3.791 3.678 3.964 . 0 0 "[ . 1 . 2]" 1
322 1 16 TRP HB2 1 56 TRP HB3 . . 4.510 2.983 2.753 3.205 . 0 0 "[ . 1 . 2]" 1
323 1 16 TRP HB2 1 56 TRP HD1 . . 4.600 3.813 3.552 4.029 . 0 0 "[ . 1 . 2]" 1
324 1 16 TRP HB2 1 56 TRP HE3 . . 4.600 3.785 3.452 3.938 . 0 0 "[ . 1 . 2]" 1
325 1 16 TRP HB3 1 16 TRP HE3 . . 3.830 2.647 2.636 2.661 . 0 0 "[ . 1 . 2]" 1
326 1 16 TRP HB3 1 17 LEU H . . 3.480 2.460 2.416 2.479 . 0 0 "[ . 1 . 2]" 1
327 1 16 TRP HB3 1 17 LEU HA . . 5.150 4.301 4.271 4.325 . 0 0 "[ . 1 . 2]" 1
328 1 16 TRP HB3 1 18 GLU H . . 5.140 4.988 4.902 5.138 . 0 0 "[ . 1 . 2]" 1
329 1 16 TRP HB3 1 45 PHE QD . . 5.010 2.727 2.331 3.147 . 0 0 "[ . 1 . 2]" 1
330 1 16 TRP HB3 1 45 PHE QE . . 4.230 2.600 2.123 3.039 . 0 0 "[ . 1 . 2]" 1
331 1 16 TRP HB3 1 45 PHE HZ . . 4.800 4.394 4.071 4.685 . 0 0 "[ . 1 . 2]" 1
332 1 16 TRP HB3 1 48 LEU MD1 . . 4.770 3.904 3.665 4.025 . 0 0 "[ . 1 . 2]" 1
333 1 16 TRP HB3 1 56 TRP HB3 . . 5.110 3.959 3.852 4.134 . 0 0 "[ . 1 . 2]" 1
334 1 16 TRP HD1 1 20 ASN HD21 . . 4.720 3.702 3.508 3.861 . 0 0 "[ . 1 . 2]" 1
335 1 16 TRP HD1 1 20 ASN HD22 . . 4.330 2.659 2.430 2.866 . 0 0 "[ . 1 . 2]" 1
336 1 16 TRP HD1 1 45 PHE QE . . 4.470 4.022 3.707 4.381 . 0 0 "[ . 1 . 2]" 1
337 1 16 TRP HD1 1 48 LEU MD1 . . 3.890 2.711 2.497 2.997 . 0 0 "[ . 1 . 2]" 1
338 1 16 TRP HD1 1 48 LEU MD2 . . 4.410 3.419 3.082 3.713 . 0 0 "[ . 1 . 2]" 1
339 1 16 TRP HD1 1 56 TRP HD1 . . 4.300 3.515 3.333 3.644 . 0 0 "[ . 1 . 2]" 1
340 1 16 TRP HD1 1 56 TRP HE1 . . 3.260 2.388 2.243 2.645 . 0 0 "[ . 1 . 2]" 1
341 1 16 TRP HD1 1 56 TRP HH2 . . 5.130 4.982 4.582 5.129 . 0 0 "[ . 1 . 2]" 1
342 1 16 TRP HD1 1 56 TRP HZ2 . . 3.870 3.352 3.004 3.625 . 0 0 "[ . 1 . 2]" 1
343 1 16 TRP HE1 1 20 ASN HB3 . . 5.020 4.493 4.234 4.634 . 0 0 "[ . 1 . 2]" 1
344 1 16 TRP HE1 1 20 ASN HD21 . . 4.260 4.040 3.860 4.202 . 0 0 "[ . 1 . 2]" 1
345 1 16 TRP HE1 1 20 ASN HD22 . . 3.800 2.868 2.709 2.981 . 0 0 "[ . 1 . 2]" 1
346 1 16 TRP HE1 1 44 ARG HB2 . . 5.500 5.472 5.378 5.500 . 0 0 "[ . 1 . 2]" 1
347 1 16 TRP HE1 1 48 LEU MD1 . . 3.480 2.888 2.641 3.349 . 0 0 "[ . 1 . 2]" 1
348 1 16 TRP HE1 1 48 LEU MD2 . . 3.880 2.755 2.571 2.940 . 0 0 "[ . 1 . 2]" 1
349 1 16 TRP HE1 1 48 LEU HG . . 4.660 3.803 3.599 4.117 . 0 0 "[ . 1 . 2]" 1
350 1 16 TRP HE1 1 56 TRP HE1 . . 4.350 4.051 3.884 4.167 . 0 0 "[ . 1 . 2]" 1
351 1 16 TRP HE1 1 56 TRP HZ2 . . 5.140 4.980 4.581 5.140 . 0 0 "[ . 1 . 2]" 1
352 1 16 TRP HE3 1 17 LEU H . . 3.390 2.348 2.288 2.425 . 0 0 "[ . 1 . 2]" 1
353 1 16 TRP HE3 1 17 LEU HA . . 3.430 2.206 2.141 2.263 . 0 0 "[ . 1 . 2]" 1
354 1 16 TRP HE3 1 17 LEU HB2 . . 3.870 2.628 2.578 2.736 . 0 0 "[ . 1 . 2]" 1
355 1 16 TRP HE3 1 17 LEU HB3 . . 4.380 3.900 3.863 3.995 . 0 0 "[ . 1 . 2]" 1
356 1 16 TRP HE3 1 17 LEU MD1 . . 3.390 2.954 2.816 3.056 . 0 0 "[ . 1 . 2]" 1
357 1 16 TRP HE3 1 20 ASN H . . 5.500 4.797 4.681 4.941 . 0 0 "[ . 1 . 2]" 1
358 1 16 TRP HE3 1 20 ASN HB2 . . 5.170 3.685 3.512 3.776 . 0 0 "[ . 1 . 2]" 1
359 1 16 TRP HE3 1 24 ILE MD . . 5.080 4.650 4.541 4.865 . 0 0 "[ . 1 . 2]" 1
360 1 16 TRP HE3 1 41 GLY HA2 . . 4.760 4.501 4.420 4.593 . 0 0 "[ . 1 . 2]" 1
361 1 16 TRP HE3 1 41 GLY HA3 . . 4.720 4.227 4.159 4.307 . 0 0 "[ . 1 . 2]" 1
362 1 16 TRP HE3 1 45 PHE HB2 . . 4.860 3.339 3.227 3.505 . 0 0 "[ . 1 . 2]" 1
363 1 16 TRP HH2 1 17 LEU HA . . 5.500 4.618 4.547 4.704 . 0 0 "[ . 1 . 2]" 1
364 1 16 TRP HH2 1 20 ASN HB2 . . 5.110 3.807 3.701 3.904 . 0 0 "[ . 1 . 2]" 1
365 1 16 TRP HH2 1 20 ASN HB3 . . 4.810 3.617 3.464 3.708 . 0 0 "[ . 1 . 2]" 1
366 1 16 TRP HH2 1 24 ILE MD . . 3.190 2.516 2.255 2.708 . 0 0 "[ . 1 . 2]" 1
367 1 16 TRP HH2 1 24 ILE HG13 . . 4.900 4.370 4.161 4.541 . 0 0 "[ . 1 . 2]" 1
368 1 16 TRP HH2 1 41 GLY H . . 5.480 4.846 4.685 4.997 . 0 0 "[ . 1 . 2]" 1
369 1 16 TRP HH2 1 41 GLY HA2 . . 3.940 2.153 2.038 2.340 . 0 0 "[ . 1 . 2]" 1
370 1 16 TRP HH2 1 41 GLY HA3 . . 3.950 3.664 3.523 3.878 . 0 0 "[ . 1 . 2]" 1
371 1 16 TRP HH2 1 44 ARG H . . 4.330 3.714 3.581 3.826 . 0 0 "[ . 1 . 2]" 1
372 1 16 TRP HH2 1 44 ARG HB2 . . 3.570 2.013 2.000 2.070 . 0 0 "[ . 1 . 2]" 1
373 1 16 TRP HH2 1 44 ARG HB3 . . 3.930 3.029 2.928 3.233 . 0 0 "[ . 1 . 2]" 1
374 1 16 TRP HH2 1 44 ARG HD2 . . 3.950 2.880 2.464 3.204 . 0 0 "[ . 1 . 2]" 1
375 1 16 TRP HH2 1 44 ARG QD . . 3.460 2.731 2.435 2.940 . 0 0 "[ . 1 . 2]" 1
376 1 16 TRP HH2 1 44 ARG HD3 . . 3.950 3.539 3.125 3.897 . 0 0 "[ . 1 . 2]" 1
377 1 16 TRP HH2 1 44 ARG HG2 . . 4.850 4.613 4.465 4.738 . 0 0 "[ . 1 . 2]" 1
378 1 16 TRP HH2 1 44 ARG HG3 . . 4.720 4.355 4.138 4.563 . 0 0 "[ . 1 . 2]" 1
379 1 16 TRP HH2 1 45 PHE H . . 4.680 3.918 3.741 4.061 . 0 0 "[ . 1 . 2]" 1
380 1 16 TRP HZ2 1 20 ASN HB2 . . 4.980 3.816 3.678 3.929 . 0 0 "[ . 1 . 2]" 1
381 1 16 TRP HZ2 1 20 ASN HB3 . . 3.980 3.313 3.110 3.468 . 0 0 "[ . 1 . 2]" 1
382 1 16 TRP HZ2 1 20 ASN HD22 . . 4.750 4.662 4.513 4.748 . 0 0 "[ . 1 . 2]" 1
383 1 16 TRP HZ2 1 24 ILE MD . . 4.780 4.249 4.005 4.450 . 0 0 "[ . 1 . 2]" 1
384 1 16 TRP HZ2 1 44 ARG HA . . 5.220 4.700 4.537 4.895 . 0 0 "[ . 1 . 2]" 1
385 1 16 TRP HZ2 1 44 ARG HB2 . . 3.900 2.853 2.803 2.902 . 0 0 "[ . 1 . 2]" 1
386 1 16 TRP HZ2 1 44 ARG HB3 . . 3.900 2.163 2.009 2.413 . 0 0 "[ . 1 . 2]" 1
387 1 16 TRP HZ2 1 44 ARG HD2 . . 4.460 3.814 3.225 4.259 . 0 0 "[ . 1 . 2]" 1
388 1 16 TRP HZ2 1 44 ARG HD3 . . 4.460 3.299 3.072 3.569 . 0 0 "[ . 1 . 2]" 1
389 1 16 TRP HZ2 1 44 ARG QH1 . . 5.010 4.213 3.754 4.698 . 0 0 "[ . 1 . 2]" 1
390 1 16 TRP HZ2 1 45 PHE HA . . 5.080 4.438 4.205 4.647 . 0 0 "[ . 1 . 2]" 1
391 1 16 TRP HZ2 1 48 LEU MD1 . . 4.720 4.143 3.880 4.706 . 0 0 "[ . 1 . 2]" 1
392 1 16 TRP HZ2 1 48 LEU MD2 . . 4.490 4.304 3.928 4.490 . 0 0 "[ . 1 . 2]" 1
393 1 16 TRP HZ2 1 48 LEU HG . . 4.730 4.473 4.326 4.698 . 0 0 "[ . 1 . 2]" 1
394 1 16 TRP HZ3 1 17 LEU HA . . 3.550 2.801 2.784 2.826 . 0 0 "[ . 1 . 2]" 1
395 1 16 TRP HZ3 1 17 LEU HB2 . . 4.210 3.625 3.516 3.817 . 0 0 "[ . 1 . 2]" 1
396 1 16 TRP HZ3 1 17 LEU MD1 . . 3.360 2.094 1.989 2.268 . 0 0 "[ . 1 . 2]" 1
397 1 16 TRP HZ3 1 17 LEU MD2 . . 4.710 4.535 4.403 4.696 . 0 0 "[ . 1 . 2]" 1
398 1 16 TRP HZ3 1 20 ASN HB3 . . 5.160 4.547 4.320 4.673 . 0 0 "[ . 1 . 2]" 1
399 1 16 TRP HZ3 1 24 ILE MD . . 3.600 2.988 2.827 3.233 . 0 0 "[ . 1 . 2]" 1
400 1 16 TRP HZ3 1 41 GLY H . . 4.520 4.247 4.176 4.322 . 0 0 "[ . 1 . 2]" 1
401 1 16 TRP HZ3 1 41 GLY HA2 . . 3.850 2.067 2.018 2.142 . 0 0 "[ . 1 . 2]" 1
402 1 16 TRP HZ3 1 41 GLY HA3 . . 3.770 2.164 2.073 2.291 . 0 0 "[ . 1 . 2]" 1
403 1 16 TRP HZ3 1 42 MET H . . 5.120 4.574 4.441 4.730 . 0 0 "[ . 1 . 2]" 1
404 1 16 TRP HZ3 1 44 ARG HB2 . . 5.350 4.083 3.968 4.214 . 0 0 "[ . 1 . 2]" 1
405 1 16 TRP HZ3 1 45 PHE H . . 4.770 4.395 4.238 4.506 . 0 0 "[ . 1 . 2]" 1
406 1 16 TRP HZ3 1 45 PHE HB2 . . 4.650 3.381 3.214 3.538 . 0 0 "[ . 1 . 2]" 1
407 1 17 LEU H 1 17 LEU HB2 . . 3.110 2.403 2.355 2.452 . 0 0 "[ . 1 . 2]" 1
408 1 17 LEU H 1 17 LEU HB3 . . 3.170 2.613 2.558 2.664 . 0 0 "[ . 1 . 2]" 1
409 1 17 LEU H 1 17 LEU MD1 . . 4.000 3.895 3.833 3.951 . 0 0 "[ . 1 . 2]" 1
410 1 17 LEU H 1 17 LEU MD2 . . 4.220 4.197 4.178 4.210 . 0 0 "[ . 1 . 2]" 1
411 1 17 LEU H 1 17 LEU HG . . 4.690 4.531 4.505 4.559 . 0 0 "[ . 1 . 2]" 1
412 1 17 LEU H 1 18 GLU H . . 3.510 2.822 2.790 2.925 . 0 0 "[ . 1 . 2]" 1
413 1 17 LEU H 1 18 GLU HA . . 5.500 5.407 5.385 5.471 . 0 0 "[ . 1 . 2]" 1
414 1 17 LEU H 1 18 GLU QG . . 5.340 4.457 4.329 4.573 . 0 0 "[ . 1 . 2]" 1
415 1 17 LEU H 1 19 GLU H . . 4.940 3.857 3.808 3.919 . 0 0 "[ . 1 . 2]" 1
416 1 17 LEU H 1 20 ASN H . . 5.210 4.672 4.611 4.763 . 0 0 "[ . 1 . 2]" 1
417 1 17 LEU HA 1 17 LEU MD1 . . 3.000 2.094 1.969 2.253 . 0 0 "[ . 1 . 2]" 1
418 1 17 LEU HA 1 17 LEU MD2 . . 4.050 3.872 3.835 3.894 . 0 0 "[ . 1 . 2]" 1
419 1 17 LEU HA 1 17 LEU HG . . 3.980 3.100 3.055 3.138 . 0 0 "[ . 1 . 2]" 1
420 1 17 LEU HA 1 18 GLU HA . . 5.060 4.697 4.689 4.711 . 0 0 "[ . 1 . 2]" 1
421 1 17 LEU HA 1 19 GLU H . . 4.400 3.844 3.759 3.971 . 0 0 "[ . 1 . 2]" 1
422 1 17 LEU HA 1 20 ASN H . . 3.820 3.391 3.308 3.461 . 0 0 "[ . 1 . 2]" 1
423 1 17 LEU HA 1 20 ASN HB2 . . 3.710 2.958 2.894 3.009 . 0 0 "[ . 1 . 2]" 1
424 1 17 LEU HA 1 20 ASN HB3 . . 4.530 4.500 4.468 4.530 0.000 8 0 "[ . 1 . 2]" 1
425 1 17 LEU HA 1 20 ASN HD21 . . 5.010 4.346 4.155 4.496 . 0 0 "[ . 1 . 2]" 1
426 1 17 LEU HA 1 21 ARG H . . 4.230 3.481 3.411 3.702 . 0 0 "[ . 1 . 2]" 1
427 1 17 LEU HA 1 21 ARG HA . . 5.230 4.676 4.599 4.750 . 0 0 "[ . 1 . 2]" 1
428 1 17 LEU HA 1 24 ILE MD . . 4.100 3.658 3.528 3.813 . 0 0 "[ . 1 . 2]" 1
429 1 17 LEU HB2 1 17 LEU MD2 . . 3.500 2.302 2.240 2.334 . 0 0 "[ . 1 . 2]" 1
430 1 17 LEU HB2 1 18 GLU H . . 3.910 3.818 3.685 3.887 . 0 0 "[ . 1 . 2]" 1
431 1 17 LEU HB3 1 17 LEU MD1 . . 3.390 3.181 3.177 3.193 . 0 0 "[ . 1 . 2]" 1
432 1 17 LEU HB3 1 17 LEU MD2 . . 3.230 2.362 2.331 2.411 . 0 0 "[ . 1 . 2]" 1
433 1 17 LEU HB3 1 18 GLU H . . 3.510 2.543 2.333 2.676 . 0 0 "[ . 1 . 2]" 1
434 1 17 LEU MD1 1 18 GLU H . . 4.600 4.542 4.417 4.598 . 0 0 "[ . 1 . 2]" 1
435 1 17 LEU MD1 1 21 ARG H . . 4.190 3.904 3.741 4.086 . 0 0 "[ . 1 . 2]" 1
436 1 17 LEU MD1 1 21 ARG HA . . 3.860 3.492 3.321 3.620 . 0 0 "[ . 1 . 2]" 1
437 1 17 LEU MD1 1 21 ARG HB2 . . 4.660 4.444 4.285 4.584 . 0 0 "[ . 1 . 2]" 1
438 1 17 LEU MD1 1 21 ARG HB3 . . 4.180 3.232 3.072 3.451 . 0 0 "[ . 1 . 2]" 1
439 1 17 LEU MD1 1 24 ILE MD . . 3.090 2.591 2.423 2.799 . 0 0 "[ . 1 . 2]" 1
440 1 17 LEU MD1 1 37 ILE HB . . 4.640 4.104 3.949 4.256 . 0 0 "[ . 1 . 2]" 1
441 1 17 LEU MD1 1 37 ILE MG . . 3.220 2.303 2.055 2.462 . 0 0 "[ . 1 . 2]" 1
442 1 17 LEU MD1 1 38 ILE HA . . 3.680 2.385 2.084 2.591 . 0 0 "[ . 1 . 2]" 1
443 1 17 LEU MD1 1 38 ILE HG12 . . 4.060 3.828 3.486 4.042 . 0 0 "[ . 1 . 2]" 1
444 1 17 LEU MD1 1 38 ILE HG13 . . 4.140 3.980 3.735 4.134 . 0 0 "[ . 1 . 2]" 1
445 1 17 LEU MD1 1 41 GLY H . . 4.210 3.233 3.142 3.313 . 0 0 "[ . 1 . 2]" 1
446 1 17 LEU MD1 1 41 GLY HA2 . . 3.590 3.060 2.959 3.212 . 0 0 "[ . 1 . 2]" 1
447 1 17 LEU MD1 1 41 GLY HA3 . . 3.910 2.035 1.912 2.122 . 0 0 "[ . 1 . 2]" 1
448 1 17 LEU MD1 1 42 MET H . . 4.770 4.130 3.999 4.279 . 0 0 "[ . 1 . 2]" 1
449 1 17 LEU MD2 1 18 GLU H . . 4.690 4.350 4.241 4.517 . 0 0 "[ . 1 . 2]" 1
450 1 17 LEU MD2 1 37 ILE HB . . 4.910 4.396 4.141 4.548 . 0 0 "[ . 1 . 2]" 1
451 1 17 LEU MD2 1 38 ILE H . . 4.490 4.432 4.291 4.485 . 0 0 "[ . 1 . 2]" 1
452 1 17 LEU MD2 1 38 ILE HA . . 3.550 2.624 2.476 2.843 . 0 0 "[ . 1 . 2]" 1
453 1 17 LEU MD2 1 38 ILE HG12 . . 3.620 2.402 2.025 2.549 . 0 0 "[ . 1 . 2]" 1
454 1 17 LEU MD2 1 38 ILE HG13 . . 3.760 3.129 2.903 3.276 . 0 0 "[ . 1 . 2]" 1
455 1 17 LEU HG 1 18 GLU H . . 4.290 3.891 3.745 4.008 . 0 0 "[ . 1 . 2]" 1
456 1 17 LEU HG 1 18 GLU HA . . 4.640 3.870 3.786 3.979 . 0 0 "[ . 1 . 2]" 1
457 1 17 LEU HG 1 21 ARG HB2 . . 5.010 4.727 4.609 4.894 . 0 0 "[ . 1 . 2]" 1
458 1 17 LEU HG 1 37 ILE MG . . 3.790 3.345 3.165 3.557 . 0 0 "[ . 1 . 2]" 1
459 1 18 GLU H 1 18 GLU QB . . 2.900 2.394 2.326 2.492 . 0 0 "[ . 1 . 2]" 1
460 1 18 GLU H 1 18 GLU HG2 . . 3.700 2.486 2.413 2.558 . 0 0 "[ . 1 . 2]" 1
461 1 18 GLU H 1 18 GLU QG . . 3.190 2.428 2.338 2.511 . 0 0 "[ . 1 . 2]" 1
462 1 18 GLU H 1 18 GLU HG3 . . 3.700 3.418 3.093 3.679 . 0 0 "[ . 1 . 2]" 1
463 1 18 GLU H 1 19 GLU H . . 3.320 2.471 2.397 2.563 . 0 0 "[ . 1 . 2]" 1
464 1 18 GLU H 1 19 GLU HB2 . . 4.590 4.376 4.318 4.464 . 0 0 "[ . 1 . 2]" 1
465 1 18 GLU H 1 21 ARG H . . 5.500 4.562 4.509 4.670 . 0 0 "[ . 1 . 2]" 1
466 1 18 GLU H 1 21 ARG HD2 . . 4.940 4.808 4.622 4.939 . 0 0 "[ . 1 . 2]" 1
467 1 18 GLU H 1 21 ARG HD3 . . 5.370 5.061 4.922 5.191 . 0 0 "[ . 1 . 2]" 1
468 1 18 GLU HA 1 18 GLU HG2 . . 3.940 3.879 3.820 3.927 . 0 0 "[ . 1 . 2]" 1
469 1 18 GLU HA 1 18 GLU QG . . 3.400 3.310 3.291 3.329 . 0 0 "[ . 1 . 2]" 1
470 1 18 GLU HA 1 18 GLU HG3 . . 3.940 3.590 3.575 3.605 . 0 0 "[ . 1 . 2]" 1
471 1 18 GLU HA 1 20 ASN H . . 4.690 4.003 3.893 4.062 . 0 0 "[ . 1 . 2]" 1
472 1 18 GLU HA 1 21 ARG H . . 4.090 3.627 3.574 3.673 . 0 0 "[ . 1 . 2]" 1
473 1 18 GLU HA 1 21 ARG HB2 . . 4.420 4.403 4.352 4.421 0.001 8 0 "[ . 1 . 2]" 1
474 1 18 GLU HA 1 21 ARG HB3 . . 4.310 3.264 3.149 3.326 . 0 0 "[ . 1 . 2]" 1
475 1 18 GLU HA 1 21 ARG HD2 . . 4.810 2.187 2.000 2.380 . 0 0 "[ . 1 . 2]" 1
476 1 18 GLU HA 1 21 ARG HD3 . . 4.540 2.213 2.064 2.357 . 0 0 "[ . 1 . 2]" 1
477 1 18 GLU HA 1 21 ARG HG2 . . 4.630 2.424 2.316 2.765 . 0 0 "[ . 1 . 2]" 1
478 1 18 GLU HA 1 21 ARG HG3 . . 4.910 3.816 3.736 4.052 . 0 0 "[ . 1 . 2]" 1
479 1 18 GLU QB 1 19 GLU H . . 3.810 3.748 3.704 3.781 . 0 0 "[ . 1 . 2]" 1
480 1 18 GLU QG 1 19 GLU H . . 4.640 2.828 2.604 2.947 . 0 0 "[ . 1 . 2]" 1
481 1 18 GLU QG 1 19 GLU HA . . 4.920 3.384 3.310 3.433 . 0 0 "[ . 1 . 2]" 1
482 1 18 GLU HG2 1 19 GLU H . . 5.280 3.274 3.073 3.454 . 0 0 "[ . 1 . 2]" 1
483 1 18 GLU HG3 1 19 GLU H . . 5.280 3.126 2.717 3.434 . 0 0 "[ . 1 . 2]" 1
484 1 19 GLU H 1 19 GLU HB2 . . 3.150 2.345 2.303 2.388 . 0 0 "[ . 1 . 2]" 1
485 1 19 GLU H 1 19 GLU HB3 . . 3.650 3.574 3.540 3.614 . 0 0 "[ . 1 . 2]" 1
486 1 19 GLU H 1 19 GLU HG2 . . 3.880 3.294 3.101 3.730 . 0 0 "[ . 1 . 2]" 1
487 1 19 GLU H 1 19 GLU HG3 . . 4.360 4.230 3.165 4.360 . 0 0 "[ . 1 . 2]" 1
488 1 19 GLU H 1 20 ASN H . . 3.000 2.070 2.020 2.167 . 0 0 "[ . 1 . 2]" 1
489 1 19 GLU H 1 20 ASN HA . . 5.110 4.783 4.750 4.836 . 0 0 "[ . 1 . 2]" 1
490 1 19 GLU H 1 20 ASN HB2 . . 4.610 4.085 4.042 4.183 . 0 0 "[ . 1 . 2]" 1
491 1 19 GLU H 1 20 ASN HD21 . . 4.440 3.234 2.989 3.316 . 0 0 "[ . 1 . 2]" 1
492 1 19 GLU H 1 20 ASN HD22 . . 4.950 4.845 4.517 4.946 . 0 0 "[ . 1 . 2]" 1
493 1 19 GLU H 1 21 ARG H . . 4.180 3.475 3.393 3.619 . 0 0 "[ . 1 . 2]" 1
494 1 19 GLU HA 1 19 GLU HG2 . . 3.970 2.792 2.245 2.985 . 0 0 "[ . 1 . 2]" 1
495 1 19 GLU HA 1 19 GLU HG3 . . 3.680 3.617 3.271 3.669 . 0 0 "[ . 1 . 2]" 1
496 1 19 GLU HA 1 21 ARG H . . 4.750 4.479 4.308 4.557 . 0 0 "[ . 1 . 2]" 1
497 1 19 GLU HA 1 22 SER H . . 4.960 4.848 4.758 4.941 . 0 0 "[ . 1 . 2]" 1
498 1 19 GLU HB2 1 20 ASN H . . 3.860 3.365 3.300 3.460 . 0 0 "[ . 1 . 2]" 1
499 1 19 GLU HB2 1 20 ASN HA . . 5.080 4.955 4.888 5.042 . 0 0 "[ . 1 . 2]" 1
500 1 19 GLU HB2 1 20 ASN HD21 . . 3.830 2.710 2.533 2.793 . 0 0 "[ . 1 . 2]" 1
501 1 19 GLU HB2 1 20 ASN HD22 . . 3.810 3.665 3.263 3.798 . 0 0 "[ . 1 . 2]" 1
502 1 19 GLU HB2 1 56 TRP HH2 . . 3.860 3.450 2.757 3.653 . 0 0 "[ . 1 . 2]" 1
503 1 19 GLU HB2 1 56 TRP HZ2 . . 4.800 4.532 4.203 4.707 . 0 0 "[ . 1 . 2]" 1
504 1 19 GLU HB2 1 56 TRP HZ3 . . 4.400 3.828 3.190 4.059 . 0 0 "[ . 1 . 2]" 1
505 1 19 GLU HB3 1 20 ASN H . . 4.120 3.916 3.846 4.069 . 0 0 "[ . 1 . 2]" 1
506 1 19 GLU HB3 1 20 ASN HD21 . . 4.200 3.105 2.910 3.277 . 0 0 "[ . 1 . 2]" 1
507 1 19 GLU HB3 1 20 ASN HD22 . . 4.260 3.634 3.458 3.725 . 0 0 "[ . 1 . 2]" 1
508 1 19 GLU HB3 1 56 TRP HH2 . . 4.150 3.075 2.519 3.302 . 0 0 "[ . 1 . 2]" 1
509 1 19 GLU HB3 1 56 TRP HZ2 . . 5.140 4.198 4.050 4.406 . 0 0 "[ . 1 . 2]" 1
510 1 19 GLU HB3 1 56 TRP HZ3 . . 4.650 4.398 3.925 4.640 . 0 0 "[ . 1 . 2]" 1
511 1 19 GLU HG2 1 56 TRP HH2 . . 4.310 4.226 4.045 4.309 . 0 0 "[ . 1 . 2]" 1
512 1 19 GLU HG2 1 56 TRP HZ3 . . 4.050 3.848 3.509 4.047 . 0 0 "[ . 1 . 2]" 1
513 1 19 GLU HG3 1 20 ASN HD22 . . 5.500 5.452 5.359 5.500 0.000 5 0 "[ . 1 . 2]" 1
514 1 19 GLU HG3 1 56 TRP HH2 . . 4.370 2.632 2.443 3.521 . 0 0 "[ . 1 . 2]" 1
515 1 19 GLU HG3 1 56 TRP HZ3 . . 4.870 2.664 2.350 2.994 . 0 0 "[ . 1 . 2]" 1
516 1 20 ASN H 1 20 ASN HB2 . . 3.190 2.462 2.432 2.530 . 0 0 "[ . 1 . 2]" 1
517 1 20 ASN H 1 20 ASN HD21 . . 3.470 2.498 2.350 2.535 . 0 0 "[ . 1 . 2]" 1
518 1 20 ASN H 1 20 ASN HD22 . . 4.220 4.181 4.054 4.219 . 0 0 "[ . 1 . 2]" 1
519 1 20 ASN H 1 21 ARG H . . 2.990 1.920 1.869 1.957 . 0 0 "[ . 1 . 2]" 1
520 1 20 ASN H 1 21 ARG HA . . 4.570 4.511 4.437 4.547 . 0 0 "[ . 1 . 2]" 1
521 1 20 ASN H 1 21 ARG HB2 . . 5.500 5.454 5.388 5.499 . 0 0 "[ . 1 . 2]" 1
522 1 20 ASN H 1 21 ARG HB3 . . 4.640 4.281 4.163 4.324 . 0 0 "[ . 1 . 2]" 1
523 1 20 ASN H 1 21 ARG HG2 . . 4.920 3.188 3.031 3.313 . 0 0 "[ . 1 . 2]" 1
524 1 20 ASN H 1 22 SER H . . 4.930 4.184 4.090 4.269 . 0 0 "[ . 1 . 2]" 1
525 1 20 ASN H 1 23 ASN H . . 5.130 4.982 4.883 5.043 . 0 0 "[ . 1 . 2]" 1
526 1 20 ASN H 1 24 ILE MD . . 5.220 4.541 4.371 4.753 . 0 0 "[ . 1 . 2]" 1
527 1 20 ASN HA 1 20 ASN HD21 . . 4.840 3.154 3.065 3.263 . 0 0 "[ . 1 . 2]" 1
528 1 20 ASN HA 1 20 ASN HD22 . . 4.840 3.889 3.837 3.963 . 0 0 "[ . 1 . 2]" 1
529 1 20 ASN HA 1 22 SER H . . 4.580 4.013 3.974 4.103 . 0 0 "[ . 1 . 2]" 1
530 1 20 ASN HA 1 23 ASN H . . 4.650 3.075 3.014 3.199 . 0 0 "[ . 1 . 2]" 1
531 1 20 ASN HA 1 23 ASN HB2 . . 4.200 2.683 2.527 2.837 . 0 0 "[ . 1 . 2]" 1
532 1 20 ASN HA 1 23 ASN HD21 . . 3.760 2.135 1.905 2.573 . 0 0 "[ . 1 . 2]" 1
533 1 20 ASN HA 1 23 ASN HD22 . . 4.210 3.608 3.239 3.909 . 0 0 "[ . 1 . 2]" 1
534 1 20 ASN HA 1 24 ILE MD . . 5.250 4.747 4.632 4.887 . 0 0 "[ . 1 . 2]" 1
535 1 20 ASN HB2 1 20 ASN HD22 . . 3.800 3.594 3.577 3.621 . 0 0 "[ . 1 . 2]" 1
536 1 20 ASN HB2 1 21 ARG H . . 4.200 3.047 2.959 3.228 . 0 0 "[ . 1 . 2]" 1
537 1 20 ASN HB2 1 24 ILE MD . . 4.630 3.337 3.188 3.509 . 0 0 "[ . 1 . 2]" 1
538 1 20 ASN HB3 1 21 ARG H . . 4.900 3.802 3.743 3.943 . 0 0 "[ . 1 . 2]" 1
539 1 20 ASN HB3 1 23 ASN HB2 . . 4.760 3.273 3.175 3.355 . 0 0 "[ . 1 . 2]" 1
540 1 20 ASN HB3 1 23 ASN HD21 . . 4.700 3.887 3.456 4.167 . 0 0 "[ . 1 . 2]" 1
541 1 20 ASN HB3 1 24 ILE MD . . 4.300 3.154 2.926 3.321 . 0 0 "[ . 1 . 2]" 1
542 1 20 ASN HD21 1 21 ARG H . . 4.860 4.229 4.046 4.273 . 0 0 "[ . 1 . 2]" 1
543 1 20 ASN HD21 1 56 TRP HZ2 . . 5.200 4.616 4.398 4.762 . 0 0 "[ . 1 . 2]" 1
544 1 20 ASN HD22 1 56 TRP HZ2 . . 4.440 3.438 3.081 3.638 . 0 0 "[ . 1 . 2]" 1
545 1 21 ARG H 1 21 ARG HB2 . . 3.650 3.611 3.598 3.619 . 0 0 "[ . 1 . 2]" 1
546 1 21 ARG H 1 21 ARG HB3 . . 3.170 2.587 2.551 2.623 . 0 0 "[ . 1 . 2]" 1
547 1 21 ARG H 1 21 ARG HD3 . . 4.570 4.352 4.198 4.400 . 0 0 "[ . 1 . 2]" 1
548 1 21 ARG H 1 21 ARG HG2 . . 3.920 2.110 2.055 2.152 . 0 0 "[ . 1 . 2]" 1
549 1 21 ARG H 1 21 ARG HG3 . . 3.810 3.302 3.261 3.429 . 0 0 "[ . 1 . 2]" 1
550 1 21 ARG H 1 22 SER H . . 3.630 3.009 2.942 3.052 . 0 0 "[ . 1 . 2]" 1
551 1 21 ARG H 1 23 ASN H . . 4.470 4.225 4.039 4.321 . 0 0 "[ . 1 . 2]" 1
552 1 21 ARG H 1 24 ILE MD . . 4.220 3.491 3.256 3.881 . 0 0 "[ . 1 . 2]" 1
553 1 21 ARG H 1 24 ILE HG13 . . 4.490 4.178 4.078 4.372 . 0 0 "[ . 1 . 2]" 1
554 1 21 ARG HA 1 21 ARG HD2 . . 5.020 4.615 4.560 4.655 . 0 0 "[ . 1 . 2]" 1
555 1 21 ARG HA 1 21 ARG HD3 . . 5.500 5.482 5.452 5.501 0.001 5 0 "[ . 1 . 2]" 1
556 1 21 ARG HA 1 21 ARG HG2 . . 3.870 3.697 3.670 3.727 . 0 0 "[ . 1 . 2]" 1
557 1 21 ARG HA 1 21 ARG HG3 . . 3.900 3.793 3.765 3.832 . 0 0 "[ . 1 . 2]" 1
558 1 21 ARG HA 1 23 ASN H . . 4.810 4.287 3.972 4.467 . 0 0 "[ . 1 . 2]" 1
559 1 21 ARG HA 1 24 ILE H . . 3.770 3.362 3.229 3.457 . 0 0 "[ . 1 . 2]" 1
560 1 21 ARG HA 1 24 ILE HB . . 3.390 2.834 2.734 2.919 . 0 0 "[ . 1 . 2]" 1
561 1 21 ARG HA 1 24 ILE MD . . 3.100 2.163 1.987 2.491 . 0 0 "[ . 1 . 2]" 1
562 1 21 ARG HA 1 24 ILE HG13 . . 4.160 2.910 2.774 3.052 . 0 0 "[ . 1 . 2]" 1
563 1 21 ARG HA 1 24 ILE MG . . 4.380 4.116 4.007 4.243 . 0 0 "[ . 1 . 2]" 1
564 1 21 ARG HA 1 25 LEU H . . 4.540 4.355 4.233 4.449 . 0 0 "[ . 1 . 2]" 1
565 1 21 ARG HA 1 25 LEU HG . . 4.540 4.115 3.907 4.223 . 0 0 "[ . 1 . 2]" 1
566 1 21 ARG HA 1 37 ILE MG . . 3.120 2.818 2.662 3.013 . 0 0 "[ . 1 . 2]" 1
567 1 21 ARG HB2 1 21 ARG HD2 . . 4.090 2.823 2.721 2.966 . 0 0 "[ . 1 . 2]" 1
568 1 21 ARG HB2 1 21 ARG HD3 . . 3.920 3.754 3.729 3.816 . 0 0 "[ . 1 . 2]" 1
569 1 21 ARG HB2 1 22 SER H . . 3.990 3.460 3.396 3.510 . 0 0 "[ . 1 . 2]" 1
570 1 21 ARG HB2 1 22 SER HA . . 4.550 4.282 4.230 4.321 . 0 0 "[ . 1 . 2]" 1
571 1 21 ARG HB2 1 25 LEU MD1 . . 4.610 3.504 3.070 3.811 . 0 0 "[ . 1 . 2]" 1
572 1 21 ARG HB2 1 37 ILE MG . . 3.390 2.810 2.536 2.909 . 0 0 "[ . 1 . 2]" 1
573 1 21 ARG HB3 1 21 ARG HD2 . . 3.750 2.355 2.248 2.393 . 0 0 "[ . 1 . 2]" 1
574 1 21 ARG HB3 1 21 ARG HD3 . . 3.750 3.569 3.498 3.629 . 0 0 "[ . 1 . 2]" 1
575 1 21 ARG HB3 1 22 SER H . . 3.910 3.903 3.847 3.910 0.000 9 0 "[ . 1 . 2]" 1
576 1 21 ARG HB3 1 37 ILE MG . . 3.840 2.863 2.710 3.025 . 0 0 "[ . 1 . 2]" 1
577 1 21 ARG HD2 1 22 SER H . . 5.170 4.686 4.596 4.702 . 0 0 "[ . 1 . 2]" 1
578 1 21 ARG HD2 1 37 ILE MG . . 4.180 4.129 3.760 4.179 . 0 0 "[ . 1 . 2]" 1
579 1 21 ARG HD3 1 22 SER H . . 5.150 4.284 4.194 4.316 . 0 0 "[ . 1 . 2]" 1
580 1 21 ARG HE 1 25 LEU MD1 . . 4.450 3.965 3.243 4.450 . 0 0 "[ . 1 . 2]" 1
581 1 21 ARG HG2 1 22 SER H . . 4.350 2.611 2.331 2.660 . 0 0 "[ . 1 . 2]" 1
582 1 21 ARG HG3 1 22 SER H . . 4.220 1.917 1.899 2.004 . 0 0 "[ . 1 . 2]" 1
583 1 21 ARG HG3 1 22 SER HA . . 4.000 3.526 3.419 3.622 . 0 0 "[ . 1 . 2]" 1
584 1 21 ARG HG3 1 22 SER QB . . 5.010 3.236 2.990 3.886 . 0 0 "[ . 1 . 2]" 1
585 1 21 ARG HG3 1 24 ILE H . . 5.500 5.452 5.411 5.501 0.001 18 0 "[ . 1 . 2]" 1
586 1 21 ARG HG3 1 25 LEU MD1 . . 4.640 4.185 3.743 4.396 . 0 0 "[ . 1 . 2]" 1
587 1 21 ARG HG3 1 37 ILE MG . . 5.120 4.832 4.603 4.938 . 0 0 "[ . 1 . 2]" 1
588 1 22 SER H 1 22 SER QB . . 3.120 2.407 2.203 2.585 . 0 0 "[ . 1 . 2]" 1
589 1 22 SER H 1 23 ASN H . . 3.350 2.670 2.635 2.710 . 0 0 "[ . 1 . 2]" 1
590 1 22 SER H 1 23 ASN HB2 . . 5.060 4.725 4.618 4.789 . 0 0 "[ . 1 . 2]" 1
591 1 22 SER H 1 24 ILE H . . 4.840 4.033 3.966 4.138 . 0 0 "[ . 1 . 2]" 1
592 1 22 SER H 1 25 LEU MD1 . . 4.620 4.499 4.303 4.607 . 0 0 "[ . 1 . 2]" 1
593 1 22 SER HA 1 22 SER QB . . 2.590 2.261 2.185 2.448 . 0 0 "[ . 1 . 2]" 1
594 1 22 SER HA 1 24 ILE H . . 4.640 4.233 4.129 4.370 . 0 0 "[ . 1 . 2]" 1
595 1 22 SER HA 1 25 LEU H . . 3.660 3.565 3.443 3.655 . 0 0 "[ . 1 . 2]" 1
596 1 22 SER HA 1 25 LEU HB2 . . 3.450 3.200 2.918 3.407 . 0 0 "[ . 1 . 2]" 1
597 1 22 SER HA 1 25 LEU MD1 . . 3.550 2.738 2.458 3.090 . 0 0 "[ . 1 . 2]" 1
598 1 22 SER HA 1 25 LEU HG . . 3.580 3.530 3.398 3.578 . 0 0 "[ . 1 . 2]" 1
599 1 22 SER HA 1 26 SER H . . 4.320 4.139 3.789 4.287 . 0 0 "[ . 1 . 2]" 1
600 1 22 SER QB 1 23 ASN H . . 3.600 3.116 2.571 3.595 . 0 0 "[ . 1 . 2]" 1
601 1 22 SER QB 1 23 ASN HA . . 4.540 4.246 3.895 4.477 . 0 0 "[ . 1 . 2]" 1
602 1 22 SER QB 1 25 LEU HB2 . . 4.940 4.751 4.444 4.939 . 0 0 "[ . 1 . 2]" 1
603 1 22 SER QB 1 25 LEU MD1 . . 4.690 4.151 3.900 4.542 . 0 0 "[ . 1 . 2]" 1
604 1 23 ASN H 1 23 ASN HB2 . . 2.990 2.306 2.238 2.355 . 0 0 "[ . 1 . 2]" 1
605 1 23 ASN H 1 23 ASN HB3 . . 3.790 3.561 3.528 3.588 . 0 0 "[ . 1 . 2]" 1
606 1 23 ASN H 1 23 ASN HD21 . . 4.600 3.255 2.470 3.694 . 0 0 "[ . 1 . 2]" 1
607 1 23 ASN H 1 23 ASN HD22 . . 5.090 4.165 3.756 4.357 . 0 0 "[ . 1 . 2]" 1
608 1 23 ASN H 1 24 ILE H . . 3.210 2.476 2.360 2.534 . 0 0 "[ . 1 . 2]" 1
609 1 23 ASN H 1 24 ILE HA . . 5.310 5.109 5.019 5.155 . 0 0 "[ . 1 . 2]" 1
610 1 23 ASN H 1 24 ILE HB . . 5.140 4.840 4.716 4.907 . 0 0 "[ . 1 . 2]" 1
611 1 23 ASN H 1 24 ILE HG12 . . 5.500 5.358 5.261 5.431 . 0 0 "[ . 1 . 2]" 1
612 1 23 ASN H 1 24 ILE HG13 . . 4.470 3.798 3.703 3.871 . 0 0 "[ . 1 . 2]" 1
613 1 23 ASN H 1 25 LEU H . . 4.490 4.075 3.953 4.190 . 0 0 "[ . 1 . 2]" 1
614 1 23 ASN H 1 25 LEU HG . . 5.500 5.367 5.124 5.497 . 0 0 "[ . 1 . 2]" 1
615 1 23 ASN H 1 26 SER H . . 5.180 4.861 4.753 4.928 . 0 0 "[ . 1 . 2]" 1
616 1 23 ASN HA 1 24 ILE HA . . 5.130 4.761 4.725 4.794 . 0 0 "[ . 1 . 2]" 1
617 1 23 ASN HA 1 25 LEU H . . 4.660 4.227 4.111 4.341 . 0 0 "[ . 1 . 2]" 1
618 1 23 ASN HA 1 26 SER H . . 3.700 3.547 3.472 3.683 . 0 0 "[ . 1 . 2]" 1
619 1 23 ASN HA 1 26 SER QB . . 3.530 2.780 2.616 3.507 . 0 0 "[ . 1 . 2]" 1
620 1 23 ASN HA 1 27 ASP H . . 4.750 4.599 4.423 4.723 . 0 0 "[ . 1 . 2]" 1
621 1 23 ASN HB2 1 23 ASN HD21 . . 3.350 2.140 2.113 2.211 . 0 0 "[ . 1 . 2]" 1
622 1 23 ASN HB2 1 23 ASN HD22 . . 3.800 3.443 3.433 3.471 . 0 0 "[ . 1 . 2]" 1
623 1 23 ASN HB2 1 24 ILE H . . 3.380 2.929 2.814 3.027 . 0 0 "[ . 1 . 2]" 1
624 1 23 ASN HB2 1 24 ILE HG13 . . 4.730 3.481 3.390 3.620 . 0 0 "[ . 1 . 2]" 1
625 1 23 ASN HB2 1 25 LEU H . . 5.270 5.180 5.113 5.263 . 0 0 "[ . 1 . 2]" 1
626 1 23 ASN HB3 1 24 ILE H . . 3.820 3.697 3.616 3.774 . 0 0 "[ . 1 . 2]" 1
627 1 23 ASN HB3 1 24 ILE HG13 . . 4.570 4.447 4.241 4.553 . 0 0 "[ . 1 . 2]" 1
628 1 24 ILE H 1 24 ILE HB . . 3.020 2.597 2.578 2.626 . 0 0 "[ . 1 . 2]" 1
629 1 24 ILE H 1 24 ILE MD . . 3.550 3.515 3.449 3.550 0.000 8 0 "[ . 1 . 2]" 1
630 1 24 ILE H 1 24 ILE HG12 . . 3.620 3.315 3.239 3.383 . 0 0 "[ . 1 . 2]" 1
631 1 24 ILE H 1 24 ILE HG13 . . 3.120 2.018 1.933 2.061 . 0 0 "[ . 1 . 2]" 1
632 1 24 ILE H 1 24 ILE MG . . 3.870 3.772 3.765 3.781 . 0 0 "[ . 1 . 2]" 1
633 1 24 ILE H 1 25 LEU H . . 3.260 2.538 2.443 2.623 . 0 0 "[ . 1 . 2]" 1
634 1 24 ILE H 1 25 LEU HG . . 4.530 4.152 3.970 4.235 . 0 0 "[ . 1 . 2]" 1
635 1 24 ILE H 1 26 SER H . . 4.610 4.212 4.158 4.355 . 0 0 "[ . 1 . 2]" 1
636 1 24 ILE HA 1 24 ILE MD . . 3.970 3.868 3.844 3.897 . 0 0 "[ . 1 . 2]" 1
637 1 24 ILE HA 1 24 ILE HG12 . . 3.410 2.613 2.567 2.677 . 0 0 "[ . 1 . 2]" 1
638 1 24 ILE HA 1 24 ILE HG13 . . 3.430 3.063 3.030 3.100 . 0 0 "[ . 1 . 2]" 1
639 1 24 ILE HA 1 24 ILE MG . . 3.090 2.240 2.213 2.293 . 0 0 "[ . 1 . 2]" 1
640 1 24 ILE HA 1 25 LEU HA . . 5.000 4.720 4.687 4.740 . 0 0 "[ . 1 . 2]" 1
641 1 24 ILE HA 1 26 SER H . . 5.020 4.761 4.682 4.888 . 0 0 "[ . 1 . 2]" 1
642 1 24 ILE HA 1 27 ASP H . . 4.100 3.934 3.883 3.986 . 0 0 "[ . 1 . 2]" 1
643 1 24 ILE HA 1 27 ASP HB2 . . 4.420 4.356 4.262 4.419 . 0 0 "[ . 1 . 2]" 1
644 1 24 ILE HA 1 27 ASP QB . . 3.630 3.582 3.501 3.629 . 0 0 "[ . 1 . 2]" 1
645 1 24 ILE HA 1 27 ASP HB3 . . 4.420 3.810 3.721 3.858 . 0 0 "[ . 1 . 2]" 1
646 1 24 ILE HA 1 28 ASN H . . 4.780 4.240 4.158 4.308 . 0 0 "[ . 1 . 2]" 1
647 1 24 ILE HA 1 28 ASN HB2 . . 5.450 4.885 4.636 5.038 . 0 0 "[ . 1 . 2]" 1
648 1 24 ILE HA 1 28 ASN QD . . 3.940 3.380 3.165 3.634 . 0 0 "[ . 1 . 2]" 1
649 1 24 ILE HB 1 24 ILE MD . . 3.100 2.384 2.303 2.433 . 0 0 "[ . 1 . 2]" 1
650 1 24 ILE HB 1 25 LEU H . . 3.260 2.766 2.677 2.893 . 0 0 "[ . 1 . 2]" 1
651 1 24 ILE HB 1 25 LEU HA . . 5.110 4.238 4.209 4.270 . 0 0 "[ . 1 . 2]" 1
652 1 24 ILE HB 1 25 LEU MD2 . . 4.490 3.688 3.271 3.916 . 0 0 "[ . 1 . 2]" 1
653 1 24 ILE HB 1 25 LEU HG . . 4.360 3.263 3.167 3.359 . 0 0 "[ . 1 . 2]" 1
654 1 24 ILE HB 1 37 ILE MG . . 3.670 3.229 3.061 3.528 . 0 0 "[ . 1 . 2]" 1
655 1 24 ILE MD 1 24 ILE MG . . 2.700 1.969 1.914 2.077 . 0 0 "[ . 1 . 2]" 1
656 1 24 ILE MD 1 25 LEU H . . 4.760 4.627 4.561 4.699 . 0 0 "[ . 1 . 2]" 1
657 1 24 ILE MD 1 31 PHE QE . . 4.150 3.862 3.545 4.119 . 0 0 "[ . 1 . 2]" 1
658 1 24 ILE MD 1 40 GLU H . . 5.440 4.717 4.544 4.847 . 0 0 "[ . 1 . 2]" 1
659 1 24 ILE MD 1 40 GLU HB2 . . 5.240 4.554 4.239 4.769 . 0 0 "[ . 1 . 2]" 1
660 1 24 ILE MD 1 40 GLU HB3 . . 4.440 3.152 2.750 3.393 . 0 0 "[ . 1 . 2]" 1
661 1 24 ILE MD 1 40 GLU HG2 . . 4.430 3.775 3.428 4.425 . 0 0 "[ . 1 . 2]" 1
662 1 24 ILE MD 1 40 GLU QG . . 3.810 2.828 2.303 3.077 . 0 0 "[ . 1 . 2]" 1
663 1 24 ILE MD 1 40 GLU HG3 . . 4.430 2.928 2.340 3.194 . 0 0 "[ . 1 . 2]" 1
664 1 24 ILE MD 1 41 GLY H . . 3.790 3.267 2.921 3.424 . 0 0 "[ . 1 . 2]" 1
665 1 24 ILE MD 1 41 GLY HA2 . . 3.190 2.373 2.238 2.496 . 0 0 "[ . 1 . 2]" 1
666 1 24 ILE MD 1 41 GLY HA3 . . 3.220 3.161 3.077 3.219 . 0 0 "[ . 1 . 2]" 1
667 1 24 ILE MD 1 42 MET H . . 5.500 5.068 4.905 5.194 . 0 0 "[ . 1 . 2]" 1
668 1 24 ILE MD 1 44 ARG HD2 . . 4.410 3.182 2.970 3.501 . 0 0 "[ . 1 . 2]" 1
669 1 24 ILE MD 1 44 ARG QD . . 3.590 3.060 2.896 3.233 . 0 0 "[ . 1 . 2]" 1
670 1 24 ILE MD 1 44 ARG HD3 . . 4.410 4.081 3.465 4.410 . 0 0 "[ . 1 . 2]" 1
671 1 24 ILE HG12 1 24 ILE MG . . 3.360 2.379 2.325 2.412 . 0 0 "[ . 1 . 2]" 1
672 1 24 ILE HG12 1 44 ARG HD2 . . 4.680 2.890 2.567 3.333 . 0 0 "[ . 1 . 2]" 1
673 1 24 ILE HG12 1 44 ARG QD . . 3.940 2.685 2.462 2.949 . 0 0 "[ . 1 . 2]" 1
674 1 24 ILE HG12 1 44 ARG HD3 . . 4.680 3.362 2.778 3.831 . 0 0 "[ . 1 . 2]" 1
675 1 24 ILE HG13 1 24 ILE MG . . 3.620 3.191 3.186 3.201 . 0 0 "[ . 1 . 2]" 1
676 1 24 ILE HG13 1 25 LEU H . . 4.130 4.116 4.081 4.130 . 0 0 "[ . 1 . 2]" 1
677 1 24 ILE HG13 1 44 ARG HD2 . . 5.250 4.432 3.942 4.989 . 0 0 "[ . 1 . 2]" 1
678 1 24 ILE HG13 1 44 ARG QD . . 4.410 3.989 3.764 4.271 . 0 0 "[ . 1 . 2]" 1
679 1 24 ILE HG13 1 44 ARG HD3 . . 5.250 4.638 4.138 5.125 . 0 0 "[ . 1 . 2]" 1
680 1 24 ILE MG 1 25 LEU H . . 3.840 3.712 3.622 3.815 . 0 0 "[ . 1 . 2]" 1
681 1 24 ILE MG 1 25 LEU HA . . 3.930 3.764 3.614 3.862 . 0 0 "[ . 1 . 2]" 1
682 1 24 ILE MG 1 25 LEU HG . . 4.380 4.120 3.998 4.263 . 0 0 "[ . 1 . 2]" 1
683 1 24 ILE MG 1 28 ASN H . . 4.230 4.085 3.997 4.146 . 0 0 "[ . 1 . 2]" 1
684 1 24 ILE MG 1 28 ASN HB2 . . 3.910 3.265 3.197 3.334 . 0 0 "[ . 1 . 2]" 1
685 1 24 ILE MG 1 28 ASN HB3 . . 4.770 4.626 4.550 4.711 . 0 0 "[ . 1 . 2]" 1
686 1 24 ILE MG 1 28 ASN QD . . 3.480 2.522 2.310 2.631 . 0 0 "[ . 1 . 2]" 1
687 1 24 ILE MG 1 31 PHE HB3 . . 4.840 4.638 4.489 4.781 . 0 0 "[ . 1 . 2]" 1
688 1 24 ILE MG 1 31 PHE QD . . 3.470 2.678 2.346 2.908 . 0 0 "[ . 1 . 2]" 1
689 1 24 ILE MG 1 31 PHE QE . . 3.450 2.502 2.179 2.825 . 0 0 "[ . 1 . 2]" 1
690 1 24 ILE MG 1 31 PHE HZ . . 4.240 3.949 3.714 4.191 . 0 0 "[ . 1 . 2]" 1
691 1 24 ILE MG 1 40 GLU H . . 4.810 4.749 4.647 4.796 . 0 0 "[ . 1 . 2]" 1
692 1 24 ILE MG 1 40 GLU HB2 . . 4.270 3.553 3.388 3.675 . 0 0 "[ . 1 . 2]" 1
693 1 24 ILE MG 1 40 GLU HB3 . . 4.060 2.672 2.516 2.757 . 0 0 "[ . 1 . 2]" 1
694 1 24 ILE MG 1 40 GLU HG2 . . 3.520 2.258 1.933 3.474 . 0 0 "[ . 1 . 2]" 1
695 1 24 ILE MG 1 40 GLU QG . . 3.040 1.971 1.776 2.161 . 0 0 "[ . 1 . 2]" 1
696 1 24 ILE MG 1 40 GLU HG3 . . 3.520 2.326 1.971 2.704 . 0 0 "[ . 1 . 2]" 1
697 1 24 ILE MG 1 41 GLY H . . 4.540 4.170 3.945 4.330 . 0 0 "[ . 1 . 2]" 1
698 1 24 ILE MG 1 44 ARG QD . . 4.720 3.570 3.188 3.792 . 0 0 "[ . 1 . 2]" 1
699 1 24 ILE MG 1 44 ARG HE . . 5.140 4.011 3.249 4.655 . 0 0 "[ . 1 . 2]" 1
700 1 25 LEU H 1 25 LEU HB2 . . 2.870 2.502 2.424 2.566 . 0 0 "[ . 1 . 2]" 1
701 1 25 LEU H 1 25 LEU HB3 . . 3.770 3.602 3.595 3.622 . 0 0 "[ . 1 . 2]" 1
702 1 25 LEU H 1 25 LEU MD1 . . 3.690 3.583 3.505 3.675 . 0 0 "[ . 1 . 2]" 1
703 1 25 LEU H 1 25 LEU MD2 . . 3.820 3.426 3.228 3.565 . 0 0 "[ . 1 . 2]" 1
704 1 25 LEU H 1 25 LEU HG . . 2.830 2.288 2.180 2.475 . 0 0 "[ . 1 . 2]" 1
705 1 25 LEU H 1 27 ASP H . . 4.660 4.001 3.839 4.061 . 0 0 "[ . 1 . 2]" 1
706 1 25 LEU H 1 28 ASN H . . 4.860 4.468 4.386 4.505 . 0 0 "[ . 1 . 2]" 1
707 1 25 LEU HA 1 25 LEU MD2 . . 2.910 2.094 1.982 2.319 . 0 0 "[ . 1 . 2]" 1
708 1 25 LEU HA 1 25 LEU HG . . 3.320 3.119 3.053 3.226 . 0 0 "[ . 1 . 2]" 1
709 1 25 LEU HA 1 27 ASP H . . 3.920 3.900 3.837 3.920 0.000 18 0 "[ . 1 . 2]" 1
710 1 25 LEU HA 1 28 ASN H . . 3.460 2.986 2.951 3.023 . 0 0 "[ . 1 . 2]" 1
711 1 25 LEU HA 1 28 ASN HB2 . . 4.070 3.611 3.528 3.695 . 0 0 "[ . 1 . 2]" 1
712 1 25 LEU HA 1 28 ASN HB3 . . 4.970 4.928 4.847 4.966 . 0 0 "[ . 1 . 2]" 1
713 1 25 LEU HA 1 29 PRO HA . . 4.580 3.468 3.306 3.620 . 0 0 "[ . 1 . 2]" 1
714 1 25 LEU HA 1 31 PHE H . . 4.860 4.548 4.369 4.652 . 0 0 "[ . 1 . 2]" 1
715 1 25 LEU HA 1 31 PHE HB2 . . 5.220 3.456 3.336 3.562 . 0 0 "[ . 1 . 2]" 1
716 1 25 LEU HA 1 31 PHE QD . . 4.760 4.524 4.357 4.717 . 0 0 "[ . 1 . 2]" 1
717 1 25 LEU HB2 1 25 LEU MD1 . . 3.120 2.250 2.122 2.355 . 0 0 "[ . 1 . 2]" 1
718 1 25 LEU HB2 1 25 LEU MD2 . . 3.450 3.183 3.172 3.194 . 0 0 "[ . 1 . 2]" 1
719 1 25 LEU HB2 1 26 SER H . . 3.410 2.436 2.355 2.496 . 0 0 "[ . 1 . 2]" 1
720 1 25 LEU HB2 1 26 SER HA . . 4.200 4.116 4.040 4.200 0.000 12 0 "[ . 1 . 2]" 1
721 1 25 LEU HB3 1 25 LEU MD1 . . 3.100 2.411 2.312 2.517 . 0 0 "[ . 1 . 2]" 1
722 1 25 LEU HB3 1 25 LEU MD2 . . 3.190 2.312 2.198 2.397 . 0 0 "[ . 1 . 2]" 1
723 1 25 LEU HB3 1 26 SER H . . 3.790 3.569 3.505 3.640 . 0 0 "[ . 1 . 2]" 1
724 1 25 LEU HB3 1 26 SER HA . . 4.520 4.439 4.348 4.508 . 0 0 "[ . 1 . 2]" 1
725 1 25 LEU MD1 1 26 SER H . . 4.500 4.287 4.190 4.399 . 0 0 "[ . 1 . 2]" 1
726 1 25 LEU MD1 1 29 PRO HA . . 5.420 4.837 4.699 5.113 . 0 0 "[ . 1 . 2]" 1
727 1 25 LEU MD1 1 31 PHE HB2 . . 4.710 4.482 4.279 4.690 . 0 0 "[ . 1 . 2]" 1
728 1 25 LEU MD2 1 28 ASN H . . 4.750 4.625 4.530 4.740 . 0 0 "[ . 1 . 2]" 1
729 1 25 LEU MD2 1 29 PRO HA . . 4.130 3.416 3.110 3.709 . 0 0 "[ . 1 . 2]" 1
730 1 25 LEU MD2 1 31 PHE H . . 3.880 3.633 3.374 3.817 . 0 0 "[ . 1 . 2]" 1
731 1 25 LEU MD2 1 31 PHE HA . . 4.700 4.275 4.080 4.432 . 0 0 "[ . 1 . 2]" 1
732 1 25 LEU MD2 1 31 PHE HB2 . . 3.410 1.993 1.837 2.143 . 0 0 "[ . 1 . 2]" 1
733 1 25 LEU MD2 1 31 PHE HB3 . . 3.720 2.521 2.356 2.674 . 0 0 "[ . 1 . 2]" 1
734 1 25 LEU MD2 1 31 PHE QD . . 3.760 2.842 2.638 3.084 . 0 0 "[ . 1 . 2]" 1
735 1 25 LEU MD2 1 31 PHE QE . . 5.150 4.632 4.407 4.803 . 0 0 "[ . 1 . 2]" 1
736 1 25 LEU MD2 1 32 SER H . . 5.170 4.930 4.774 5.139 . 0 0 "[ . 1 . 2]" 1
737 1 25 LEU MD2 1 33 ASP H . . 5.500 5.152 4.997 5.284 . 0 0 "[ . 1 . 2]" 1
738 1 25 LEU MD2 1 37 ILE HG13 . . 3.770 3.601 3.478 3.730 . 0 0 "[ . 1 . 2]" 1
739 1 25 LEU HG 1 26 SER H . . 4.820 4.190 4.060 4.320 . 0 0 "[ . 1 . 2]" 1
740 1 26 SER H 1 26 SER QB . . 2.840 2.256 2.134 2.644 . 0 0 "[ . 1 . 2]" 1
741 1 26 SER H 1 27 ASP H . . 3.070 2.847 2.805 2.887 . 0 0 "[ . 1 . 2]" 1
742 1 26 SER H 1 27 ASP HB2 . . 5.500 5.145 5.032 5.196 . 0 0 "[ . 1 . 2]" 1
743 1 26 SER H 1 27 ASP QB . . 4.760 4.696 4.642 4.740 . 0 0 "[ . 1 . 2]" 1
744 1 26 SER H 1 27 ASP HB3 . . 5.500 5.424 5.360 5.484 . 0 0 "[ . 1 . 2]" 1
745 1 26 SER H 1 28 ASN H . . 4.250 4.200 4.146 4.238 . 0 0 "[ . 1 . 2]" 1
746 1 26 SER HA 1 27 ASP HA . . 4.770 4.627 4.617 4.634 . 0 0 "[ . 1 . 2]" 1
747 1 26 SER HA 1 29 PRO HD3 . . 5.280 4.919 4.824 5.005 . 0 0 "[ . 1 . 2]" 1
748 1 26 SER QB 1 27 ASP H . . 3.390 2.792 2.714 3.390 . 0 0 "[ . 1 . 2]" 1
749 1 26 SER QB 1 27 ASP HA . . 4.720 4.211 4.016 4.435 . 0 0 "[ . 1 . 2]" 1
750 1 27 ASP H 1 27 ASP HB2 . . 3.420 2.563 2.521 2.596 . 0 0 "[ . 1 . 2]" 1
751 1 27 ASP H 1 27 ASP QB . . 2.910 2.344 2.330 2.352 . 0 0 "[ . 1 . 2]" 1
752 1 27 ASP H 1 27 ASP HB3 . . 3.420 2.714 2.673 2.771 . 0 0 "[ . 1 . 2]" 1
753 1 27 ASP HA 1 28 ASN HA . . 4.890 4.533 4.528 4.536 . 0 0 "[ . 1 . 2]" 1
754 1 27 ASP HA 1 29 PRO HD3 . . 5.100 4.182 4.124 4.238 . 0 0 "[ . 1 . 2]" 1
755 1 27 ASP QB 1 28 ASN H . . 3.580 2.620 2.575 2.672 . 0 0 "[ . 1 . 2]" 1
756 1 27 ASP HB2 1 28 ASN H . . 4.110 3.742 3.697 3.785 . 0 0 "[ . 1 . 2]" 1
757 1 27 ASP HB2 1 28 ASN QD . . 4.030 3.964 3.817 4.017 . 0 0 "[ . 1 . 2]" 1
758 1 27 ASP HB3 1 28 ASN H . . 4.110 2.675 2.626 2.732 . 0 0 "[ . 1 . 2]" 1
759 1 27 ASP HB3 1 28 ASN QD . . 4.030 2.486 2.340 2.547 . 0 0 "[ . 1 . 2]" 1
760 1 28 ASN H 1 28 ASN HB2 . . 3.320 2.759 2.698 2.791 . 0 0 "[ . 1 . 2]" 1
761 1 28 ASN H 1 28 ASN HB3 . . 3.930 3.822 3.793 3.846 . 0 0 "[ . 1 . 2]" 1
762 1 28 ASN H 1 29 PRO HD2 . . 4.520 4.330 4.302 4.354 . 0 0 "[ . 1 . 2]" 1
763 1 28 ASN H 1 29 PRO HD3 . . 4.100 3.714 3.666 3.755 . 0 0 "[ . 1 . 2]" 1
764 1 28 ASN HA 1 29 PRO HD2 . . 3.090 1.942 1.941 1.942 . 0 0 "[ . 1 . 2]" 1
765 1 28 ASN HA 1 29 PRO HD3 . . 3.390 2.655 2.654 2.656 . 0 0 "[ . 1 . 2]" 1
766 1 28 ASN HA 1 29 PRO HG2 . . 4.890 4.126 4.125 4.127 . 0 0 "[ . 1 . 2]" 1
767 1 28 ASN HA 1 29 PRO HG3 . . 4.890 4.473 4.472 4.474 . 0 0 "[ . 1 . 2]" 1
768 1 28 ASN HA 1 30 ASP H . . 4.150 3.404 3.258 3.543 . 0 0 "[ . 1 . 2]" 1
769 1 28 ASN HB2 1 28 ASN QD . . 3.380 2.155 2.141 2.197 . 0 0 "[ . 1 . 2]" 1
770 1 28 ASN HB2 1 29 PRO HD2 . . 5.500 4.712 4.696 4.726 . 0 0 "[ . 1 . 2]" 1
771 1 28 ASN HB2 1 31 PHE H . . 4.200 4.091 3.970 4.186 . 0 0 "[ . 1 . 2]" 1
772 1 28 ASN HB2 1 31 PHE QD . . 4.120 3.983 3.891 4.102 . 0 0 "[ . 1 . 2]" 1
773 1 28 ASN HB2 1 31 PHE QE . . 4.340 4.078 3.985 4.177 . 0 0 "[ . 1 . 2]" 1
774 1 28 ASN HB2 1 31 PHE HZ . . 4.910 4.665 4.467 4.862 . 0 0 "[ . 1 . 2]" 1
775 1 28 ASN HB3 1 29 PRO HD2 . . 4.740 3.906 3.894 3.916 . 0 0 "[ . 1 . 2]" 1
776 1 28 ASN HB3 1 30 ASP H . . 4.610 3.736 3.425 4.008 . 0 0 "[ . 1 . 2]" 1
777 1 28 ASN HB3 1 31 PHE H . . 4.100 3.817 3.700 3.904 . 0 0 "[ . 1 . 2]" 1
778 1 28 ASN HB3 1 31 PHE QD . . 4.120 3.832 3.556 4.120 . 0 0 "[ . 1 . 2]" 1
779 1 28 ASN HB3 1 31 PHE QE . . 4.340 3.799 3.633 4.151 . 0 0 "[ . 1 . 2]" 1
780 1 28 ASN HB3 1 31 PHE HZ . . 5.260 4.867 4.647 5.123 . 0 0 "[ . 1 . 2]" 1
781 1 28 ASN QD 1 31 PHE QD . . 5.190 5.053 4.807 5.169 . 0 0 "[ . 1 . 2]" 1
782 1 28 ASN QD 1 40 GLU QG . . 4.640 3.665 3.528 3.808 . 0 0 "[ . 1 . 2]" 1
783 1 29 PRO HA 1 31 PHE H . . 4.030 3.704 3.619 3.963 . 0 0 "[ . 1 . 2]" 1
784 1 29 PRO HB2 1 30 ASP H . . 3.980 3.454 3.275 3.677 . 0 0 "[ . 1 . 2]" 1
785 1 29 PRO HB2 1 30 ASP HA . . 5.040 4.147 4.072 4.235 . 0 0 "[ . 1 . 2]" 1
786 1 29 PRO HB3 1 30 ASP H . . 4.540 4.210 4.105 4.340 . 0 0 "[ . 1 . 2]" 1
787 1 29 PRO HD2 1 30 ASP H . . 3.820 2.673 2.646 2.751 . 0 0 "[ . 1 . 2]" 1
788 1 29 PRO HD3 1 30 ASP H . . 4.360 3.853 3.834 3.898 . 0 0 "[ . 1 . 2]" 1
789 1 29 PRO QG 1 30 ASP H . . 3.500 2.506 2.279 2.808 . 0 0 "[ . 1 . 2]" 1
790 1 30 ASP H 1 30 ASP HB2 . . 3.640 2.548 2.209 3.575 . 0 0 "[ . 1 . 2]" 1
791 1 30 ASP H 1 30 ASP QB . . 3.050 2.445 2.149 2.755 . 0 0 "[ . 1 . 2]" 1
792 1 30 ASP H 1 30 ASP HB3 . . 3.640 3.374 2.724 3.613 . 0 0 "[ . 1 . 2]" 1
793 1 30 ASP H 1 31 PHE H . . 3.040 2.842 2.719 2.919 . 0 0 "[ . 1 . 2]" 1
794 1 30 ASP H 1 31 PHE HB2 . . 5.080 4.900 4.756 4.967 . 0 0 "[ . 1 . 2]" 1
795 1 30 ASP H 1 31 PHE QD . . 5.020 4.398 4.121 4.600 . 0 0 "[ . 1 . 2]" 1
796 1 30 ASP QB 1 31 PHE H . . 3.700 2.807 2.633 3.311 . 0 0 "[ . 1 . 2]" 1
797 1 30 ASP QB 1 31 PHE QD . . 4.390 2.768 2.573 3.272 . 0 0 "[ . 1 . 2]" 1
798 1 30 ASP HB2 1 31 PHE H . . 4.250 3.131 2.714 3.968 . 0 0 "[ . 1 . 2]" 1
799 1 30 ASP HB2 1 31 PHE QD . . 5.040 3.266 2.668 4.440 . 0 0 "[ . 1 . 2]" 1
800 1 30 ASP HB3 1 31 PHE H . . 4.250 3.591 2.839 4.165 . 0 0 "[ . 1 . 2]" 1
801 1 30 ASP HB3 1 31 PHE QD . . 5.040 3.498 2.595 4.688 . 0 0 "[ . 1 . 2]" 1
802 1 31 PHE H 1 31 PHE HB2 . . 2.870 2.333 2.299 2.402 . 0 0 "[ . 1 . 2]" 1
803 1 31 PHE H 1 31 PHE HB3 . . 3.680 3.563 3.552 3.579 . 0 0 "[ . 1 . 2]" 1
804 1 31 PHE H 1 31 PHE QD . . 3.440 2.298 2.190 2.421 . 0 0 "[ . 1 . 2]" 1
805 1 31 PHE H 1 31 PHE QE . . 4.410 4.390 4.296 4.411 0.001 5 0 "[ . 1 . 2]" 1
806 1 31 PHE H 1 32 SER H . . 4.460 4.433 4.356 4.459 . 0 0 "[ . 1 . 2]" 1
807 1 31 PHE HA 1 31 PHE QD . . 3.030 2.229 2.050 2.390 . 0 0 "[ . 1 . 2]" 1
808 1 31 PHE HA 1 31 PHE QE . . 4.510 4.293 4.222 4.339 . 0 0 "[ . 1 . 2]" 1
809 1 31 PHE HA 1 32 SER H . . 2.920 2.142 2.139 2.160 . 0 0 "[ . 1 . 2]" 1
810 1 31 PHE HA 1 33 ASP H . . 3.820 3.365 3.336 3.392 . 0 0 "[ . 1 . 2]" 1
811 1 31 PHE HB2 1 32 SER H . . 4.660 4.449 4.400 4.496 . 0 0 "[ . 1 . 2]" 1
812 1 31 PHE HB2 1 33 ASP H . . 5.500 5.223 5.075 5.409 . 0 0 "[ . 1 . 2]" 1
813 1 31 PHE HB2 1 36 ASP QB . . 5.090 4.471 4.319 4.684 . 0 0 "[ . 1 . 2]" 1
814 1 31 PHE HB2 1 37 ILE MD . . 4.460 4.321 3.878 4.457 . 0 0 "[ . 1 . 2]" 1
815 1 31 PHE HB2 1 37 ILE HG12 . . 4.900 3.652 3.279 3.784 . 0 0 "[ . 1 . 2]" 1
816 1 31 PHE HB2 1 37 ILE HG13 . . 4.530 4.419 4.129 4.515 . 0 0 "[ . 1 . 2]" 1
817 1 31 PHE HB3 1 32 SER H . . 3.990 3.612 3.543 3.755 . 0 0 "[ . 1 . 2]" 1
818 1 31 PHE HB3 1 33 ASP H . . 4.370 3.836 3.707 4.100 . 0 0 "[ . 1 . 2]" 1
819 1 31 PHE HB3 1 36 ASP HB2 . . 4.800 3.819 3.453 4.785 . 0 0 "[ . 1 . 2]" 1
820 1 31 PHE HB3 1 36 ASP QB . . 4.130 3.364 2.989 3.618 . 0 0 "[ . 1 . 2]" 1
821 1 31 PHE HB3 1 36 ASP HB3 . . 4.800 3.855 3.027 4.186 . 0 0 "[ . 1 . 2]" 1
822 1 31 PHE HB3 1 37 ILE H . . 5.110 4.335 4.175 4.498 . 0 0 "[ . 1 . 2]" 1
823 1 31 PHE HB3 1 37 ILE MD . . 3.820 3.311 3.032 3.412 . 0 0 "[ . 1 . 2]" 1
824 1 31 PHE HB3 1 37 ILE HG12 . . 4.320 2.561 2.268 2.738 . 0 0 "[ . 1 . 2]" 1
825 1 31 PHE HB3 1 37 ILE HG13 . . 3.720 2.787 2.553 2.884 . 0 0 "[ . 1 . 2]" 1
826 1 31 PHE QD 1 32 SER H . . 4.400 4.222 4.066 4.344 . 0 0 "[ . 1 . 2]" 1
827 1 31 PHE QD 1 36 ASP QB . . 4.080 3.119 2.805 3.405 . 0 0 "[ . 1 . 2]" 1
828 1 31 PHE QD 1 37 ILE HA . . 3.500 2.209 2.073 2.364 . 0 0 "[ . 1 . 2]" 1
829 1 31 PHE QD 1 37 ILE HG12 . . 3.390 2.188 2.001 2.445 . 0 0 "[ . 1 . 2]" 1
830 1 31 PHE QD 1 37 ILE HG13 . . 3.840 3.135 2.831 3.384 . 0 0 "[ . 1 . 2]" 1
831 1 31 PHE QD 1 37 ILE MG . . 3.400 3.201 3.037 3.390 . 0 0 "[ . 1 . 2]" 1
832 1 31 PHE QD 1 40 GLU H . . 5.500 5.392 5.243 5.494 . 0 0 "[ . 1 . 2]" 1
833 1 31 PHE QD 1 40 GLU HB2 . . 4.780 4.686 4.570 4.766 . 0 0 "[ . 1 . 2]" 1
834 1 31 PHE QD 1 40 GLU HB3 . . 4.590 4.133 4.000 4.334 . 0 0 "[ . 1 . 2]" 1
835 1 31 PHE QD 1 40 GLU QG . . 4.780 4.515 4.328 4.671 . 0 0 "[ . 1 . 2]" 1
836 1 31 PHE QE 1 37 ILE HA . . 3.780 2.525 2.343 2.822 . 0 0 "[ . 1 . 2]" 1
837 1 31 PHE QE 1 37 ILE HG13 . . 5.130 4.851 4.611 5.101 . 0 0 "[ . 1 . 2]" 1
838 1 31 PHE QE 1 37 ILE MG . . 4.110 4.030 3.929 4.102 . 0 0 "[ . 1 . 2]" 1
839 1 31 PHE QE 1 40 GLU H . . 4.090 3.688 3.414 3.990 . 0 0 "[ . 1 . 2]" 1
840 1 31 PHE QE 1 40 GLU HA . . 4.890 4.578 4.455 4.710 . 0 0 "[ . 1 . 2]" 1
841 1 31 PHE QE 1 40 GLU HB2 . . 3.530 2.375 2.218 2.474 . 0 0 "[ . 1 . 2]" 1
842 1 31 PHE QE 1 40 GLU HB3 . . 3.670 2.092 2.017 2.317 . 0 0 "[ . 1 . 2]" 1
843 1 31 PHE QE 1 40 GLU HG2 . . 4.050 2.907 2.487 3.763 . 0 0 "[ . 1 . 2]" 1
844 1 31 PHE QE 1 40 GLU QG . . 3.450 2.743 2.454 2.981 . 0 0 "[ . 1 . 2]" 1
845 1 31 PHE QE 1 40 GLU HG3 . . 4.050 3.691 2.844 3.926 . 0 0 "[ . 1 . 2]" 1
846 1 31 PHE QE 1 41 GLY H . . 4.830 4.395 4.073 4.694 . 0 0 "[ . 1 . 2]" 1
847 1 31 PHE HZ 1 40 GLU H . . 5.150 4.629 4.256 5.010 . 0 0 "[ . 1 . 2]" 1
848 1 31 PHE HZ 1 40 GLU HB2 . . 3.790 2.454 2.239 2.772 . 0 0 "[ . 1 . 2]" 1
849 1 31 PHE HZ 1 40 GLU HB3 . . 4.130 3.652 3.515 4.008 . 0 0 "[ . 1 . 2]" 1
850 1 31 PHE HZ 1 40 GLU QG . . 3.950 3.317 2.894 3.589 . 0 0 "[ . 1 . 2]" 1
851 1 32 SER H 1 32 SER HB2 . . 4.050 2.607 2.522 2.680 . 0 0 "[ . 1 . 2]" 1
852 1 32 SER H 1 32 SER QB . . 3.550 2.561 2.483 2.628 . 0 0 "[ . 1 . 2]" 1
853 1 32 SER H 1 32 SER HB3 . . 4.050 3.759 3.711 3.796 . 0 0 "[ . 1 . 2]" 1
854 1 32 SER H 1 33 ASP H . . 2.850 1.869 1.825 1.932 . 0 0 "[ . 1 . 2]" 1
855 1 32 SER H 1 33 ASP HA . . 4.760 4.628 4.589 4.685 . 0 0 "[ . 1 . 2]" 1
856 1 32 SER H 1 33 ASP HB2 . . 4.510 4.091 4.015 4.197 . 0 0 "[ . 1 . 2]" 1
857 1 32 SER H 1 33 ASP HB3 . . 4.870 4.510 4.449 4.603 . 0 0 "[ . 1 . 2]" 1
858 1 32 SER H 1 36 ASP QB . . 4.640 3.465 3.305 3.575 . 0 0 "[ . 1 . 2]" 1
859 1 32 SER HA 1 37 ILE MD . . 4.860 4.595 4.416 4.733 . 0 0 "[ . 1 . 2]" 1
860 1 32 SER QB 1 33 ASP HA . . 4.290 4.281 4.222 4.294 0.004 19 0 "[ . 1 . 2]" 1
861 1 32 SER HB2 1 33 ASP H . . 4.440 3.349 3.186 3.425 . 0 0 "[ . 1 . 2]" 1
862 1 32 SER HB2 1 33 ASP HA . . 4.890 4.825 4.729 4.888 . 0 0 "[ . 1 . 2]" 1
863 1 32 SER HB3 1 33 ASP H . . 4.440 4.157 4.030 4.222 . 0 0 "[ . 1 . 2]" 1
864 1 32 SER HB3 1 33 ASP HA . . 4.890 4.788 4.678 4.872 . 0 0 "[ . 1 . 2]" 1
865 1 33 ASP H 1 33 ASP HB2 . . 3.270 2.843 2.769 2.878 . 0 0 "[ . 1 . 2]" 1
866 1 33 ASP H 1 33 ASP HB3 . . 3.330 2.976 2.933 2.995 . 0 0 "[ . 1 . 2]" 1
867 1 33 ASP H 1 34 GLU H . . 4.900 4.423 4.398 4.451 . 0 0 "[ . 1 . 2]" 1
868 1 33 ASP H 1 36 ASP H . . 4.690 3.929 3.843 3.995 . 0 0 "[ . 1 . 2]" 1
869 1 33 ASP H 1 36 ASP HB2 . . 4.730 3.086 2.920 3.657 . 0 0 "[ . 1 . 2]" 1
870 1 33 ASP H 1 36 ASP QB . . 3.920 3.002 2.879 3.170 . 0 0 "[ . 1 . 2]" 1
871 1 33 ASP H 1 36 ASP HB3 . . 4.730 4.432 3.380 4.683 . 0 0 "[ . 1 . 2]" 1
872 1 33 ASP H 1 37 ILE H . . 4.820 4.683 4.606 4.777 . 0 0 "[ . 1 . 2]" 1
873 1 33 ASP H 1 37 ILE MD . . 4.670 4.169 3.938 4.380 . 0 0 "[ . 1 . 2]" 1
874 1 33 ASP H 1 37 ILE HG12 . . 5.500 5.234 5.110 5.352 . 0 0 "[ . 1 . 2]" 1
875 1 33 ASP HA 1 34 GLU H . . 2.950 2.237 2.205 2.277 . 0 0 "[ . 1 . 2]" 1
876 1 33 ASP HA 1 34 GLU HA . . 4.350 4.309 4.302 4.315 . 0 0 "[ . 1 . 2]" 1
877 1 33 ASP HA 1 34 GLU HB2 . . 4.500 4.343 4.314 4.368 . 0 0 "[ . 1 . 2]" 1
878 1 33 ASP HA 1 34 GLU HB3 . . 5.290 5.094 5.028 5.151 . 0 0 "[ . 1 . 2]" 1
879 1 33 ASP HA 1 35 ALA H . . 4.210 4.088 3.980 4.191 . 0 0 "[ . 1 . 2]" 1
880 1 33 ASP HA 1 37 ILE MD . . 4.400 4.157 3.765 4.388 . 0 0 "[ . 1 . 2]" 1
881 1 33 ASP HB2 1 34 GLU H . . 4.390 4.221 4.156 4.272 . 0 0 "[ . 1 . 2]" 1
882 1 33 ASP HB2 1 35 ALA H . . 4.670 4.520 4.337 4.619 . 0 0 "[ . 1 . 2]" 1
883 1 33 ASP HB2 1 35 ALA MB . . 4.500 4.289 4.130 4.398 . 0 0 "[ . 1 . 2]" 1
884 1 33 ASP HB2 1 36 ASP H . . 4.590 4.485 4.407 4.560 . 0 0 "[ . 1 . 2]" 1
885 1 33 ASP HB2 1 36 ASP QB . . 4.820 4.539 4.255 4.791 . 0 0 "[ . 1 . 2]" 1
886 1 33 ASP HB3 1 34 GLU H . . 4.300 3.639 3.525 3.729 . 0 0 "[ . 1 . 2]" 1
887 1 33 ASP HB3 1 35 ALA H . . 3.590 3.037 2.799 3.159 . 0 0 "[ . 1 . 2]" 1
888 1 33 ASP HB3 1 35 ALA MB . . 3.610 2.895 2.680 3.043 . 0 0 "[ . 1 . 2]" 1
889 1 33 ASP HB3 1 36 ASP H . . 3.750 2.847 2.758 2.945 . 0 0 "[ . 1 . 2]" 1
890 1 33 ASP HB3 1 36 ASP QB . . 4.550 3.562 3.264 3.881 . 0 0 "[ . 1 . 2]" 1
891 1 33 ASP HB3 1 37 ILE H . . 5.000 4.789 4.711 4.872 . 0 0 "[ . 1 . 2]" 1
892 1 34 GLU H 1 34 GLU HB2 . . 3.140 2.215 2.184 2.240 . 0 0 "[ . 1 . 2]" 1
893 1 34 GLU H 1 34 GLU HB3 . . 3.360 2.886 2.849 2.933 . 0 0 "[ . 1 . 2]" 1
894 1 34 GLU H 1 34 GLU QG . . 4.030 3.874 3.798 4.031 0.001 18 0 "[ . 1 . 2]" 1
895 1 34 GLU H 1 35 ALA MB . . 5.080 4.360 4.247 4.424 . 0 0 "[ . 1 . 2]" 1
896 1 34 GLU H 1 37 ILE MD . . 4.670 3.726 3.415 4.052 . 0 0 "[ . 1 . 2]" 1
897 1 34 GLU HA 1 34 GLU QG . . 3.460 2.303 2.171 2.467 . 0 0 "[ . 1 . 2]" 1
898 1 34 GLU HA 1 36 ASP H . . 4.480 4.096 4.020 4.148 . 0 0 "[ . 1 . 2]" 1
899 1 34 GLU HA 1 37 ILE H . . 3.690 3.020 2.985 3.061 . 0 0 "[ . 1 . 2]" 1
900 1 34 GLU HA 1 37 ILE HB . . 3.510 2.342 2.233 2.467 . 0 0 "[ . 1 . 2]" 1
901 1 34 GLU HA 1 37 ILE MD . . 3.030 2.122 1.988 2.334 . 0 0 "[ . 1 . 2]" 1
902 1 34 GLU HA 1 37 ILE HG12 . . 4.850 4.149 4.019 4.258 . 0 0 "[ . 1 . 2]" 1
903 1 34 GLU HA 1 37 ILE HG13 . . 3.630 2.863 2.725 2.933 . 0 0 "[ . 1 . 2]" 1
904 1 34 GLU HA 1 38 ILE H . . 4.300 4.028 3.921 4.177 . 0 0 "[ . 1 . 2]" 1
905 1 34 GLU HA 1 38 ILE HG12 . . 5.500 5.451 5.372 5.497 . 0 0 "[ . 1 . 2]" 1
906 1 34 GLU HB2 1 35 ALA H . . 3.850 3.691 3.651 3.764 . 0 0 "[ . 1 . 2]" 1
907 1 34 GLU HB2 1 35 ALA HA . . 5.500 5.487 5.460 5.500 0.000 15 0 "[ . 1 . 2]" 1
908 1 34 GLU HB2 1 37 ILE MD . . 4.250 3.793 3.633 3.983 . 0 0 "[ . 1 . 2]" 1
909 1 34 GLU HB2 1 38 ILE MD . . 4.760 4.119 3.985 4.237 . 0 0 "[ . 1 . 2]" 1
910 1 34 GLU HB3 1 35 ALA H . . 3.390 2.750 2.635 2.915 . 0 0 "[ . 1 . 2]" 1
911 1 34 GLU HB3 1 35 ALA HA . . 4.720 3.953 3.928 3.989 . 0 0 "[ . 1 . 2]" 1
912 1 34 GLU HB3 1 36 ASP H . . 5.500 5.080 4.987 5.189 . 0 0 "[ . 1 . 2]" 1
913 1 34 GLU HB3 1 38 ILE MD . . 3.410 2.806 2.611 2.990 . 0 0 "[ . 1 . 2]" 1
914 1 34 GLU QG 1 35 ALA H . . 4.390 4.153 4.059 4.279 . 0 0 "[ . 1 . 2]" 1
915 1 34 GLU QG 1 35 ALA HA . . 4.760 4.459 4.363 4.608 . 0 0 "[ . 1 . 2]" 1
916 1 34 GLU QG 1 37 ILE H . . 4.940 4.299 4.178 4.366 . 0 0 "[ . 1 . 2]" 1
917 1 34 GLU QG 1 37 ILE HB . . 3.590 2.932 2.745 3.034 . 0 0 "[ . 1 . 2]" 1
918 1 34 GLU QG 1 38 ILE H . . 4.520 3.854 3.635 4.004 . 0 0 "[ . 1 . 2]" 1
919 1 34 GLU QG 1 38 ILE MD . . 3.150 2.235 1.970 2.558 . 0 0 "[ . 1 . 2]" 1
920 1 34 GLU QG 1 38 ILE HG12 . . 4.240 3.189 3.038 3.312 . 0 0 "[ . 1 . 2]" 1
921 1 34 GLU QG 1 38 ILE HG13 . . 3.680 2.353 2.247 2.471 . 0 0 "[ . 1 . 2]" 1
922 1 35 ALA H 1 35 ALA MB . . 2.700 2.161 2.036 2.237 . 0 0 "[ . 1 . 2]" 1
923 1 35 ALA H 1 36 ASP H . . 3.130 2.828 2.759 2.890 . 0 0 "[ . 1 . 2]" 1
924 1 35 ALA H 1 37 ILE H . . 4.440 4.008 3.944 4.062 . 0 0 "[ . 1 . 2]" 1
925 1 35 ALA H 1 38 ILE MD . . 4.300 3.678 3.442 3.903 . 0 0 "[ . 1 . 2]" 1
926 1 35 ALA HA 1 37 ILE H . . 4.530 4.302 4.227 4.375 . 0 0 "[ . 1 . 2]" 1
927 1 35 ALA HA 1 37 ILE HB . . 5.500 5.486 5.457 5.501 0.001 2 0 "[ . 1 . 2]" 1
928 1 35 ALA HA 1 38 ILE H . . 3.850 3.672 3.605 3.721 . 0 0 "[ . 1 . 2]" 1
929 1 35 ALA HA 1 38 ILE HB . . 3.330 3.243 3.178 3.311 . 0 0 "[ . 1 . 2]" 1
930 1 35 ALA HA 1 38 ILE MD . . 3.190 2.235 2.043 2.510 . 0 0 "[ . 1 . 2]" 1
931 1 35 ALA HA 1 38 ILE HG12 . . 5.170 4.964 4.834 5.078 . 0 0 "[ . 1 . 2]" 1
932 1 35 ALA HA 1 38 ILE MG . . 4.650 4.496 4.447 4.557 . 0 0 "[ . 1 . 2]" 1
933 1 35 ALA HA 1 39 LYS H . . 4.610 4.223 4.011 4.375 . 0 0 "[ . 1 . 2]" 1
934 1 35 ALA MB 1 36 ASP H . . 3.350 2.595 2.511 2.703 . 0 0 "[ . 1 . 2]" 1
935 1 35 ALA MB 1 36 ASP HA . . 4.130 3.830 3.748 3.880 . 0 0 "[ . 1 . 2]" 1
936 1 35 ALA MB 1 37 ILE H . . 4.570 4.377 4.328 4.432 . 0 0 "[ . 1 . 2]" 1
937 1 35 ALA MB 1 38 ILE H . . 5.080 4.705 4.660 4.763 . 0 0 "[ . 1 . 2]" 1
938 1 35 ALA MB 1 38 ILE HB . . 4.640 4.597 4.531 4.640 . 0 0 "[ . 1 . 2]" 1
939 1 36 ASP H 1 36 ASP HB2 . . 3.700 2.276 2.203 2.344 . 0 0 "[ . 1 . 2]" 1
940 1 36 ASP H 1 36 ASP QB . . 2.910 2.243 2.181 2.315 . 0 0 "[ . 1 . 2]" 1
941 1 36 ASP H 1 36 ASP HB3 . . 3.700 3.476 2.844 3.582 . 0 0 "[ . 1 . 2]" 1
942 1 36 ASP H 1 37 ILE H . . 3.030 2.402 2.368 2.417 . 0 0 "[ . 1 . 2]" 1
943 1 36 ASP H 1 37 ILE HA . . 5.060 5.048 5.018 5.060 . 0 0 "[ . 1 . 2]" 1
944 1 36 ASP H 1 37 ILE HB . . 4.930 4.710 4.644 4.760 . 0 0 "[ . 1 . 2]" 1
945 1 36 ASP H 1 37 ILE HG12 . . 5.500 5.452 5.408 5.498 . 0 0 "[ . 1 . 2]" 1
946 1 36 ASP H 1 37 ILE HG13 . . 4.260 3.833 3.752 3.927 . 0 0 "[ . 1 . 2]" 1
947 1 36 ASP H 1 38 ILE H . . 4.290 3.981 3.925 4.065 . 0 0 "[ . 1 . 2]" 1
948 1 36 ASP H 1 39 LYS QB . . 5.500 5.373 5.302 5.451 . 0 0 "[ . 1 . 2]" 1
949 1 36 ASP HA 1 38 ILE H . . 4.760 4.149 3.922 4.287 . 0 0 "[ . 1 . 2]" 1
950 1 36 ASP HA 1 38 ILE HB . . 5.500 5.262 5.139 5.380 . 0 0 "[ . 1 . 2]" 1
951 1 36 ASP HA 1 39 LYS H . . 3.840 3.706 3.578 3.829 . 0 0 "[ . 1 . 2]" 1
952 1 36 ASP HA 1 39 LYS QB . . 3.460 3.339 3.145 3.443 . 0 0 "[ . 1 . 2]" 1
953 1 36 ASP HA 1 39 LYS QD . . 3.830 2.088 1.890 2.359 . 0 0 "[ . 1 . 2]" 1
954 1 36 ASP HA 1 39 LYS QE . . 4.150 3.222 2.201 4.078 . 0 0 "[ . 1 . 2]" 1
955 1 36 ASP HA 1 39 LYS HG2 . . 4.810 2.993 2.732 3.194 . 0 0 "[ . 1 . 2]" 1
956 1 36 ASP HA 1 39 LYS HG3 . . 4.570 4.343 4.154 4.503 . 0 0 "[ . 1 . 2]" 1
957 1 36 ASP HA 1 40 GLU H . . 5.160 4.498 4.282 4.728 . 0 0 "[ . 1 . 2]" 1
958 1 36 ASP QB 1 37 ILE H . . 3.010 2.881 2.827 2.953 . 0 0 "[ . 1 . 2]" 1
959 1 36 ASP QB 1 37 ILE HG13 . . 4.260 3.344 3.270 3.436 . 0 0 "[ . 1 . 2]" 1
960 1 36 ASP QB 1 39 LYS QE . . 5.080 3.765 2.667 5.079 . 0 0 "[ . 1 . 2]" 1
961 1 36 ASP HB2 1 37 ILE H . . 3.800 3.085 2.936 3.782 . 0 0 "[ . 1 . 2]" 1
962 1 36 ASP HB2 1 37 ILE HG13 . . 4.870 3.617 3.384 4.670 . 0 0 "[ . 1 . 2]" 1
963 1 36 ASP HB3 1 37 ILE H . . 3.800 3.624 2.933 3.800 . 0 0 "[ . 1 . 2]" 1
964 1 36 ASP HB3 1 37 ILE HG13 . . 4.870 4.196 3.356 4.456 . 0 0 "[ . 1 . 2]" 1
965 1 37 ILE H 1 37 ILE HB . . 2.860 2.536 2.494 2.572 . 0 0 "[ . 1 . 2]" 1
966 1 37 ILE H 1 37 ILE MD . . 3.620 3.520 3.404 3.609 . 0 0 "[ . 1 . 2]" 1
967 1 37 ILE H 1 37 ILE HG12 . . 3.630 3.490 3.405 3.604 . 0 0 "[ . 1 . 2]" 1
968 1 37 ILE H 1 37 ILE HG13 . . 3.080 2.152 2.081 2.247 . 0 0 "[ . 1 . 2]" 1
969 1 37 ILE H 1 37 ILE MG . . 3.940 3.772 3.764 3.779 . 0 0 "[ . 1 . 2]" 1
970 1 37 ILE H 1 38 ILE H . . 3.190 2.470 2.413 2.523 . 0 0 "[ . 1 . 2]" 1
971 1 37 ILE H 1 38 ILE HA . . 5.160 5.112 5.065 5.158 . 0 0 "[ . 1 . 2]" 1
972 1 37 ILE H 1 38 ILE HB . . 5.500 4.763 4.704 4.833 . 0 0 "[ . 1 . 2]" 1
973 1 37 ILE H 1 38 ILE HG13 . . 4.620 4.041 3.928 4.146 . 0 0 "[ . 1 . 2]" 1
974 1 37 ILE H 1 39 LYS H . . 4.560 4.371 4.235 4.513 . 0 0 "[ . 1 . 2]" 1
975 1 37 ILE HA 1 37 ILE HG12 . . 3.830 2.611 2.530 2.705 . 0 0 "[ . 1 . 2]" 1
976 1 37 ILE HA 1 37 ILE HG13 . . 3.720 2.972 2.916 3.019 . 0 0 "[ . 1 . 2]" 1
977 1 37 ILE HA 1 37 ILE MG . . 2.970 2.384 2.293 2.428 . 0 0 "[ . 1 . 2]" 1
978 1 37 ILE HA 1 39 LYS H . . 5.140 4.904 4.704 5.086 . 0 0 "[ . 1 . 2]" 1
979 1 37 ILE HA 1 40 GLU H . . 4.240 3.838 3.709 3.931 . 0 0 "[ . 1 . 2]" 1
980 1 37 ILE HA 1 40 GLU HB2 . . 4.380 4.254 4.066 4.371 . 0 0 "[ . 1 . 2]" 1
981 1 37 ILE HA 1 40 GLU HB3 . . 3.830 3.181 3.021 3.486 . 0 0 "[ . 1 . 2]" 1
982 1 37 ILE HA 1 41 GLY H . . 4.620 4.114 3.946 4.304 . 0 0 "[ . 1 . 2]" 1
983 1 37 ILE HB 1 37 ILE MD . . 3.020 2.329 2.236 2.435 . 0 0 "[ . 1 . 2]" 1
984 1 37 ILE HB 1 38 ILE H . . 3.230 2.870 2.753 3.049 . 0 0 "[ . 1 . 2]" 1
985 1 37 ILE HB 1 38 ILE HA . . 4.690 4.295 4.225 4.358 . 0 0 "[ . 1 . 2]" 1
986 1 37 ILE HB 1 38 ILE HB . . 5.370 5.113 5.058 5.212 . 0 0 "[ . 1 . 2]" 1
987 1 37 ILE HB 1 38 ILE HG12 . . 4.900 4.699 4.543 4.794 . 0 0 "[ . 1 . 2]" 1
988 1 37 ILE HB 1 38 ILE HG13 . . 3.650 3.179 3.085 3.248 . 0 0 "[ . 1 . 2]" 1
989 1 37 ILE HG13 1 37 ILE MG . . 3.630 3.190 3.179 3.201 . 0 0 "[ . 1 . 2]" 1
990 1 37 ILE MG 1 38 ILE H . . 3.870 3.694 3.627 3.811 . 0 0 "[ . 1 . 2]" 1
991 1 37 ILE MG 1 38 ILE HA . . 3.720 3.649 3.576 3.719 . 0 0 "[ . 1 . 2]" 1
992 1 37 ILE MG 1 40 GLU H . . 5.500 4.739 4.484 4.912 . 0 0 "[ . 1 . 2]" 1
993 1 37 ILE MG 1 41 GLY H . . 4.250 3.863 3.602 4.115 . 0 0 "[ . 1 . 2]" 1
994 1 38 ILE H 1 38 ILE HB . . 3.080 2.523 2.482 2.563 . 0 0 "[ . 1 . 2]" 1
995 1 38 ILE H 1 38 ILE MD . . 3.330 3.227 3.139 3.319 . 0 0 "[ . 1 . 2]" 1
996 1 38 ILE H 1 38 ILE HG12 . . 3.790 3.692 3.588 3.779 . 0 0 "[ . 1 . 2]" 1
997 1 38 ILE H 1 38 ILE HG13 . . 3.200 2.224 2.106 2.321 . 0 0 "[ . 1 . 2]" 1
998 1 38 ILE H 1 38 ILE MG . . 3.960 3.771 3.762 3.783 . 0 0 "[ . 1 . 2]" 1
999 1 38 ILE H 1 39 LYS H . . 3.300 2.633 2.522 2.748 . 0 0 "[ . 1 . 2]" 1
1000 1 38 ILE H 1 40 GLU H . . 4.970 3.882 3.752 4.029 . 0 0 "[ . 1 . 2]" 1
1001 1 38 ILE HA 1 38 ILE MD . . 3.980 3.891 3.873 3.911 . 0 0 "[ . 1 . 2]" 1
1002 1 38 ILE HA 1 38 ILE HG12 . . 3.380 2.788 2.712 2.840 . 0 0 "[ . 1 . 2]" 1
1003 1 38 ILE HA 1 38 ILE HG13 . . 3.590 2.755 2.713 2.830 . 0 0 "[ . 1 . 2]" 1
1004 1 38 ILE HA 1 38 ILE MG . . 3.140 2.416 2.319 2.467 . 0 0 "[ . 1 . 2]" 1
1005 1 38 ILE HA 1 40 GLU H . . 5.000 3.977 3.716 4.191 . 0 0 "[ . 1 . 2]" 1
1006 1 38 ILE HA 1 41 GLY H . . 4.050 3.176 2.976 3.414 . 0 0 "[ . 1 . 2]" 1
1007 1 38 ILE HA 1 41 GLY HA2 . . 5.120 5.013 4.882 5.121 0.001 10 0 "[ . 1 . 2]" 1
1008 1 38 ILE HA 1 41 GLY HA3 . . 4.020 3.442 3.327 3.540 . 0 0 "[ . 1 . 2]" 1
1009 1 38 ILE HA 1 42 MET H . . 4.440 4.039 3.740 4.185 . 0 0 "[ . 1 . 2]" 1
1010 1 38 ILE HB 1 38 ILE MD . . 2.870 2.223 2.105 2.341 . 0 0 "[ . 1 . 2]" 1
1011 1 38 ILE HB 1 39 LYS H . . 3.120 2.315 2.193 2.427 . 0 0 "[ . 1 . 2]" 1
1012 1 38 ILE HB 1 40 GLU H . . 5.500 4.715 4.541 4.843 . 0 0 "[ . 1 . 2]" 1
1013 1 38 ILE MD 1 39 LYS H . . 4.280 4.068 3.910 4.207 . 0 0 "[ . 1 . 2]" 1
1014 1 38 ILE HG12 1 38 ILE MG . . 3.540 2.130 2.043 2.293 . 0 0 "[ . 1 . 2]" 1
1015 1 38 ILE HG12 1 39 LYS H . . 5.030 4.940 4.869 5.004 . 0 0 "[ . 1 . 2]" 1
1016 1 38 ILE HG13 1 39 LYS H . . 5.040 4.181 4.096 4.241 . 0 0 "[ . 1 . 2]" 1
1017 1 38 ILE MG 1 39 LYS H . . 3.580 3.247 3.064 3.354 . 0 0 "[ . 1 . 2]" 1
1018 1 38 ILE MG 1 39 LYS HA . . 3.530 3.413 3.199 3.520 . 0 0 "[ . 1 . 2]" 1
1019 1 38 ILE MG 1 42 MET H . . 4.290 3.813 3.571 3.993 . 0 0 "[ . 1 . 2]" 1
1020 1 38 ILE MG 1 42 MET HB2 . . 4.430 4.121 3.698 4.416 . 0 0 "[ . 1 . 2]" 1
1021 1 38 ILE MG 1 42 MET ME . . 3.670 2.946 2.015 3.481 . 0 0 "[ . 1 . 2]" 1
1022 1 38 ILE MG 1 42 MET HG2 . . 4.260 3.557 2.341 4.183 . 0 0 "[ . 1 . 2]" 1
1023 1 38 ILE MG 1 42 MET QG . . 3.450 2.547 2.022 2.802 . 0 0 "[ . 1 . 2]" 1
1024 1 38 ILE MG 1 42 MET HG3 . . 4.260 2.655 2.211 3.034 . 0 0 "[ . 1 . 2]" 1
1025 1 39 LYS H 1 39 LYS QB . . 2.740 2.166 2.155 2.200 . 0 0 "[ . 1 . 2]" 1
1026 1 39 LYS H 1 39 LYS QD . . 4.020 3.668 3.496 3.782 . 0 0 "[ . 1 . 2]" 1
1027 1 39 LYS H 1 39 LYS HG2 . . 4.010 2.943 2.864 3.047 . 0 0 "[ . 1 . 2]" 1
1028 1 39 LYS H 1 39 LYS HG3 . . 4.230 4.123 4.051 4.222 . 0 0 "[ . 1 . 2]" 1
1029 1 39 LYS H 1 41 GLY H . . 4.730 4.336 4.237 4.619 . 0 0 "[ . 1 . 2]" 1
1030 1 39 LYS H 1 42 MET H . . 5.190 5.054 4.995 5.132 . 0 0 "[ . 1 . 2]" 1
1031 1 39 LYS HA 1 39 LYS QB . . 2.780 2.164 2.162 2.168 . 0 0 "[ . 1 . 2]" 1
1032 1 39 LYS HA 1 39 LYS QD . . 4.690 4.318 4.272 4.394 . 0 0 "[ . 1 . 2]" 1
1033 1 39 LYS HA 1 39 LYS HG2 . . 3.730 3.704 3.655 3.733 0.003 16 0 "[ . 1 . 2]" 1
1034 1 39 LYS HA 1 39 LYS HG3 . . 3.990 3.667 3.628 3.741 . 0 0 "[ . 1 . 2]" 1
1035 1 39 LYS HA 1 42 MET H . . 4.200 4.035 3.939 4.199 . 0 0 "[ . 1 . 2]" 1
1036 1 39 LYS HA 1 42 MET HB2 . . 3.990 3.520 3.420 3.602 . 0 0 "[ . 1 . 2]" 1
1037 1 39 LYS HA 1 42 MET HB3 . . 5.200 5.102 5.011 5.200 . 0 0 "[ . 1 . 2]" 1
1038 1 39 LYS HA 1 42 MET ME . . 5.150 4.622 3.546 5.142 . 0 0 "[ . 1 . 2]" 1
1039 1 39 LYS QB 1 39 LYS QD . . 3.280 2.102 2.055 2.136 . 0 0 "[ . 1 . 2]" 1
1040 1 39 LYS QB 1 39 LYS QE . . 3.690 3.263 2.338 3.672 . 0 0 "[ . 1 . 2]" 1
1041 1 39 LYS QB 1 40 GLU H . . 3.590 3.469 3.371 3.585 . 0 0 "[ . 1 . 2]" 1
1042 1 39 LYS QD 1 40 GLU H . . 4.420 4.137 3.799 4.366 . 0 0 "[ . 1 . 2]" 1
1043 1 39 LYS QE 1 39 LYS HG3 . . 3.470 2.456 2.118 2.869 . 0 0 "[ . 1 . 2]" 1
1044 1 39 LYS HG2 1 40 GLU H . . 4.190 2.180 1.926 2.402 . 0 0 "[ . 1 . 2]" 1
1045 1 39 LYS HG2 1 40 GLU HA . . 4.570 3.800 3.643 3.896 . 0 0 "[ . 1 . 2]" 1
1046 1 39 LYS HG2 1 43 ILE MD . . 4.650 4.536 4.246 4.640 . 0 0 "[ . 1 . 2]" 1
1047 1 39 LYS HG3 1 40 GLU H . . 4.560 3.212 2.947 3.547 . 0 0 "[ . 1 . 2]" 1
1048 1 39 LYS HG3 1 43 ILE MD . . 3.600 3.356 3.212 3.599 . 0 0 "[ . 1 . 2]" 1
1049 1 40 GLU H 1 40 GLU HB2 . . 3.180 2.749 2.533 2.874 . 0 0 "[ . 1 . 2]" 1
1050 1 40 GLU H 1 40 GLU HB3 . . 3.160 2.451 2.402 2.616 . 0 0 "[ . 1 . 2]" 1
1051 1 40 GLU H 1 40 GLU HG2 . . 4.790 4.648 4.500 4.697 . 0 0 "[ . 1 . 2]" 1
1052 1 40 GLU H 1 40 GLU QG . . 4.120 4.020 3.993 4.119 . 0 0 "[ . 1 . 2]" 1
1053 1 40 GLU H 1 40 GLU HG3 . . 4.790 4.405 4.340 4.688 . 0 0 "[ . 1 . 2]" 1
1054 1 40 GLU H 1 41 GLY H . . 3.250 2.390 2.201 2.572 . 0 0 "[ . 1 . 2]" 1
1055 1 40 GLU H 1 41 GLY HA2 . . 5.180 5.025 4.871 5.156 . 0 0 "[ . 1 . 2]" 1
1056 1 40 GLU H 1 41 GLY HA3 . . 5.500 4.623 4.456 4.733 . 0 0 "[ . 1 . 2]" 1
1057 1 40 GLU H 1 42 MET H . . 4.470 3.935 3.723 4.081 . 0 0 "[ . 1 . 2]" 1
1058 1 40 GLU H 1 43 ILE MD . . 5.500 4.529 4.415 4.737 . 0 0 "[ . 1 . 2]" 1
1059 1 40 GLU H 1 43 ILE HG13 . . 5.500 4.838 4.755 4.906 . 0 0 "[ . 1 . 2]" 1
1060 1 40 GLU HA 1 42 MET H . . 4.720 4.091 3.946 4.241 . 0 0 "[ . 1 . 2]" 1
1061 1 40 GLU HA 1 43 ILE H . . 3.830 3.287 3.188 3.395 . 0 0 "[ . 1 . 2]" 1
1062 1 40 GLU HA 1 43 ILE HB . . 3.660 3.034 2.956 3.104 . 0 0 "[ . 1 . 2]" 1
1063 1 40 GLU HA 1 43 ILE MD . . 3.280 2.380 2.156 2.568 . 0 0 "[ . 1 . 2]" 1
1064 1 40 GLU HA 1 43 ILE HG12 . . 4.660 4.277 4.104 4.384 . 0 0 "[ . 1 . 2]" 1
1065 1 40 GLU HA 1 43 ILE HG13 . . 4.500 2.744 2.559 2.851 . 0 0 "[ . 1 . 2]" 1
1066 1 40 GLU HA 1 43 ILE MG . . 4.420 4.254 4.173 4.324 . 0 0 "[ . 1 . 2]" 1
1067 1 40 GLU HA 1 44 ARG H . . 4.690 4.524 4.417 4.638 . 0 0 "[ . 1 . 2]" 1
1068 1 40 GLU HB2 1 41 GLY H . . 4.110 3.882 3.604 3.980 . 0 0 "[ . 1 . 2]" 1
1069 1 40 GLU HB2 1 43 ILE MD . . 5.420 3.921 3.759 4.245 . 0 0 "[ . 1 . 2]" 1
1070 1 40 GLU HB3 1 41 GLY H . . 3.560 2.567 2.248 2.702 . 0 0 "[ . 1 . 2]" 1
1071 1 40 GLU HB3 1 41 GLY HA2 . . 5.010 4.246 4.007 4.324 . 0 0 "[ . 1 . 2]" 1
1072 1 40 GLU HB3 1 41 GLY HA3 . . 4.850 4.560 4.309 4.641 . 0 0 "[ . 1 . 2]" 1
1073 1 40 GLU QG 1 41 GLY H . . 3.990 3.571 3.399 3.990 . 0 0 "[ . 1 . 2]" 1
1074 1 40 GLU QG 1 44 ARG QD . . 4.510 2.871 2.402 3.850 . 0 0 "[ . 1 . 2]" 1
1075 1 40 GLU QG 1 44 ARG HE . . 3.810 3.278 2.618 3.810 . 0 0 "[ . 1 . 2]" 1
1076 1 40 GLU HG2 1 41 GLY H . . 4.790 4.698 4.546 4.790 . 0 0 "[ . 1 . 2]" 1
1077 1 40 GLU HG2 1 44 ARG HE . . 4.530 3.884 2.995 4.500 . 0 0 "[ . 1 . 2]" 1
1078 1 40 GLU HG3 1 41 GLY H . . 4.790 3.706 3.502 4.269 . 0 0 "[ . 1 . 2]" 1
1079 1 40 GLU HG3 1 44 ARG HE . . 4.530 3.538 2.888 4.196 . 0 0 "[ . 1 . 2]" 1
1080 1 41 GLY H 1 42 MET H . . 3.430 2.798 2.713 2.915 . 0 0 "[ . 1 . 2]" 1
1081 1 41 GLY H 1 43 ILE H . . 5.160 4.181 4.064 4.302 . 0 0 "[ . 1 . 2]" 1
1082 1 41 GLY HA2 1 43 ILE H . . 4.530 4.174 3.942 4.336 . 0 0 "[ . 1 . 2]" 1
1083 1 41 GLY HA2 1 44 ARG H . . 3.680 3.536 3.441 3.608 . 0 0 "[ . 1 . 2]" 1
1084 1 41 GLY HA2 1 44 ARG HB2 . . 4.640 3.138 3.000 3.211 . 0 0 "[ . 1 . 2]" 1
1085 1 41 GLY HA2 1 45 PHE H . . 4.330 4.054 3.906 4.146 . 0 0 "[ . 1 . 2]" 1
1086 1 41 GLY HA3 1 44 ARG H . . 5.010 4.779 4.729 4.827 . 0 0 "[ . 1 . 2]" 1
1087 1 41 GLY HA3 1 44 ARG HB2 . . 5.050 4.796 4.673 4.860 . 0 0 "[ . 1 . 2]" 1
1088 1 41 GLY HA3 1 45 PHE H . . 5.100 4.881 4.766 4.957 . 0 0 "[ . 1 . 2]" 1
1089 1 41 GLY HA3 1 45 PHE HB2 . . 4.500 4.459 4.408 4.500 . 0 0 "[ . 1 . 2]" 1
1090 1 42 MET H 1 42 MET HB2 . . 3.120 2.347 2.225 2.450 . 0 0 "[ . 1 . 2]" 1
1091 1 42 MET H 1 42 MET HB3 . . 3.910 3.565 3.518 3.598 . 0 0 "[ . 1 . 2]" 1
1092 1 42 MET H 1 42 MET HG2 . . 3.660 3.335 2.466 3.658 . 0 0 "[ . 1 . 2]" 1
1093 1 42 MET H 1 42 MET QG . . 3.020 2.516 2.264 2.801 . 0 0 "[ . 1 . 2]" 1
1094 1 42 MET H 1 42 MET HG3 . . 3.660 2.804 2.288 3.571 . 0 0 "[ . 1 . 2]" 1
1095 1 42 MET H 1 43 ILE H . . 3.340 2.523 2.450 2.587 . 0 0 "[ . 1 . 2]" 1
1096 1 42 MET H 1 43 ILE HB . . 4.920 4.814 4.723 4.904 . 0 0 "[ . 1 . 2]" 1
1097 1 42 MET H 1 43 ILE MD . . 5.500 5.085 5.003 5.169 . 0 0 "[ . 1 . 2]" 1
1098 1 42 MET H 1 43 ILE HG12 . . 5.500 5.488 5.454 5.500 . 8 0 "[ . 1 . 2]" 1
1099 1 42 MET H 1 43 ILE HG13 . . 4.100 3.981 3.939 4.035 . 0 0 "[ . 1 . 2]" 1
1100 1 42 MET H 1 44 ARG H . . 4.820 4.209 4.082 4.334 . 0 0 "[ . 1 . 2]" 1
1101 1 42 MET HA 1 42 MET ME . . 4.900 4.429 4.116 4.706 . 0 0 "[ . 1 . 2]" 1
1102 1 42 MET HA 1 42 MET QG . . 3.040 2.373 2.153 2.625 . 0 0 "[ . 1 . 2]" 1
1103 1 42 MET HA 1 44 ARG H . . 4.940 4.396 4.227 4.530 . 0 0 "[ . 1 . 2]" 1
1104 1 42 MET HA 1 45 PHE H . . 3.880 3.318 3.226 3.429 . 0 0 "[ . 1 . 2]" 1
1105 1 42 MET HA 1 45 PHE HB2 . . 3.910 3.380 3.228 3.526 . 0 0 "[ . 1 . 2]" 1
1106 1 42 MET HA 1 45 PHE HB3 . . 3.630 2.390 2.317 2.538 . 0 0 "[ . 1 . 2]" 1
1107 1 42 MET HA 1 46 ARG H . . 3.930 3.817 3.699 3.930 . 10 0 "[ . 1 . 2]" 1
1108 1 42 MET HB2 1 42 MET ME . . 3.910 3.725 3.331 3.910 . 0 0 "[ . 1 . 2]" 1
1109 1 42 MET HB2 1 43 ILE H . . 3.640 2.914 2.727 3.135 . 0 0 "[ . 1 . 2]" 1
1110 1 42 MET HB3 1 42 MET ME . . 3.940 3.444 2.874 3.912 . 0 0 "[ . 1 . 2]" 1
1111 1 42 MET HB3 1 43 ILE H . . 4.390 3.730 3.586 3.864 . 0 0 "[ . 1 . 2]" 1
1112 1 42 MET ME 1 42 MET HG2 . . 3.820 2.660 1.989 3.134 . 0 0 "[ . 1 . 2]" 1
1113 1 42 MET ME 1 42 MET QG . . 3.260 2.094 1.967 2.203 . 0 0 "[ . 1 . 2]" 1
1114 1 42 MET ME 1 42 MET HG3 . . 3.820 2.535 1.992 3.220 . 0 0 "[ . 1 . 2]" 1
1115 1 42 MET QG 1 43 ILE H . . 4.480 4.251 4.116 4.425 . 0 0 "[ . 1 . 2]" 1
1116 1 42 MET HG2 1 43 ILE H . . 5.180 4.944 4.508 5.151 . 0 0 "[ . 1 . 2]" 1
1117 1 42 MET HG3 1 43 ILE H . . 5.180 4.696 4.356 5.108 . 0 0 "[ . 1 . 2]" 1
1118 1 43 ILE H 1 43 ILE HB . . 2.860 2.530 2.507 2.572 . 0 0 "[ . 1 . 2]" 1
1119 1 43 ILE H 1 43 ILE MD . . 3.660 3.629 3.577 3.661 0.001 10 0 "[ . 1 . 2]" 1
1120 1 43 ILE H 1 43 ILE HG12 . . 3.570 3.370 3.261 3.473 . 0 0 "[ . 1 . 2]" 1
1121 1 43 ILE H 1 43 ILE HG13 . . 3.070 2.147 2.046 2.236 . 0 0 "[ . 1 . 2]" 1
1122 1 43 ILE H 1 43 ILE MG . . 3.980 3.767 3.764 3.772 . 0 0 "[ . 1 . 2]" 1
1123 1 43 ILE H 1 44 ARG H . . 3.340 2.584 2.497 2.683 . 0 0 "[ . 1 . 2]" 1
1124 1 43 ILE H 1 45 PHE H . . 4.720 3.742 3.604 3.836 . 0 0 "[ . 1 . 2]" 1
1125 1 43 ILE HA 1 43 ILE MD . . 3.960 3.821 3.806 3.843 . 0 0 "[ . 1 . 2]" 1
1126 1 43 ILE HA 1 43 ILE HG12 . . 3.080 2.519 2.496 2.559 . 0 0 "[ . 1 . 2]" 1
1127 1 43 ILE HA 1 43 ILE HG13 . . 3.220 3.056 3.016 3.088 . 0 0 "[ . 1 . 2]" 1
1128 1 43 ILE HA 1 43 ILE MG . . 3.180 2.434 2.415 2.460 . 0 0 "[ . 1 . 2]" 1
1129 1 43 ILE HA 1 44 ARG HA . . 5.120 4.666 4.640 4.686 . 0 0 "[ . 1 . 2]" 1
1130 1 43 ILE HA 1 45 PHE H . . 4.950 4.294 4.157 4.453 . 0 0 "[ . 1 . 2]" 1
1131 1 43 ILE HA 1 46 ARG H . . 4.240 3.721 3.622 3.805 . 0 0 "[ . 1 . 2]" 1
1132 1 43 ILE HA 1 46 ARG HB3 . . 3.970 3.914 3.839 3.971 0.001 10 0 "[ . 1 . 2]" 1
1133 1 43 ILE HA 1 46 ARG QD . . 3.940 2.585 1.959 3.574 . 0 0 "[ . 1 . 2]" 1
1134 1 43 ILE HA 1 46 ARG QG . . 3.390 2.244 1.997 2.684 . 0 0 "[ . 1 . 2]" 1
1135 1 43 ILE HB 1 43 ILE MD . . 2.990 2.395 2.334 2.468 . 0 0 "[ . 1 . 2]" 1
1136 1 43 ILE HB 1 44 ARG H . . 3.030 2.627 2.514 2.745 . 0 0 "[ . 1 . 2]" 1
1137 1 43 ILE HB 1 44 ARG HA . . 4.600 4.346 4.299 4.412 . 0 0 "[ . 1 . 2]" 1
1138 1 43 ILE HB 1 44 ARG HG3 . . 3.750 3.489 3.228 3.695 . 0 0 "[ . 1 . 2]" 1
1139 1 43 ILE HG12 1 43 ILE MG . . 2.790 2.346 2.313 2.379 . 0 0 "[ . 1 . 2]" 1
1140 1 43 ILE HG12 1 44 ARG H . . 5.140 4.951 4.904 5.009 . 0 0 "[ . 1 . 2]" 1
1141 1 43 ILE HG13 1 43 ILE MG . . 3.210 3.201 3.198 3.203 . 0 0 "[ . 1 . 2]" 1
1142 1 43 ILE HG13 1 44 ARG H . . 4.300 4.189 4.128 4.254 . 0 0 "[ . 1 . 2]" 1
1143 1 43 ILE MG 1 44 ARG H . . 3.720 3.477 3.411 3.535 . 0 0 "[ . 1 . 2]" 1
1144 1 43 ILE MG 1 44 ARG HA . . 3.490 3.468 3.416 3.491 0.001 10 0 "[ . 1 . 2]" 1
1145 1 43 ILE MG 1 44 ARG HG2 . . 4.790 4.549 4.271 4.790 . 0 0 "[ . 1 . 2]" 1
1146 1 43 ILE MG 1 44 ARG HG3 . . 4.170 3.467 3.373 3.660 . 0 0 "[ . 1 . 2]" 1
1147 1 43 ILE MG 1 45 PHE H . . 5.070 4.898 4.790 5.009 . 0 0 "[ . 1 . 2]" 1
1148 1 43 ILE MG 1 46 ARG QD . . 4.610 3.469 3.018 4.059 . 0 0 "[ . 1 . 2]" 1
1149 1 43 ILE MG 1 46 ARG QG . . 4.130 3.439 3.289 3.608 . 0 0 "[ . 1 . 2]" 1
1150 1 44 ARG H 1 44 ARG HB2 . . 2.880 2.266 2.223 2.329 . 0 0 "[ . 1 . 2]" 1
1151 1 44 ARG H 1 44 ARG HB3 . . 3.580 3.544 3.515 3.579 . 0 0 "[ . 1 . 2]" 1
1152 1 44 ARG H 1 44 ARG QD . . 4.100 3.656 3.402 3.990 . 0 0 "[ . 1 . 2]" 1
1153 1 44 ARG H 1 44 ARG HE . . 5.280 5.051 4.584 5.267 . 0 0 "[ . 1 . 2]" 1
1154 1 44 ARG H 1 44 ARG HG2 . . 4.280 4.133 3.920 4.275 . 0 0 "[ . 1 . 2]" 1
1155 1 44 ARG H 1 44 ARG HG3 . . 3.540 2.943 2.667 3.094 . 0 0 "[ . 1 . 2]" 1
1156 1 44 ARG H 1 45 PHE H . . 3.290 2.332 2.243 2.390 . 0 0 "[ . 1 . 2]" 1
1157 1 44 ARG H 1 45 PHE HA . . 5.150 4.986 4.918 5.028 . 0 0 "[ . 1 . 2]" 1
1158 1 44 ARG H 1 45 PHE HB3 . . 4.900 4.717 4.622 4.811 . 0 0 "[ . 1 . 2]" 1
1159 1 44 ARG H 1 46 ARG H . . 4.640 3.893 3.774 3.990 . 0 0 "[ . 1 . 2]" 1
1160 1 44 ARG HA 1 44 ARG HD2 . . 4.770 4.458 4.343 4.594 . 0 0 "[ . 1 . 2]" 1
1161 1 44 ARG HA 1 44 ARG HD3 . . 4.770 4.525 4.373 4.618 . 0 0 "[ . 1 . 2]" 1
1162 1 44 ARG HA 1 44 ARG HE . . 5.400 5.148 4.868 5.400 . 0 0 "[ . 1 . 2]" 1
1163 1 44 ARG HA 1 44 ARG HG2 . . 3.840 2.670 2.471 2.805 . 0 0 "[ . 1 . 2]" 1
1164 1 44 ARG HA 1 44 ARG HG3 . . 3.630 2.626 2.431 2.867 . 0 0 "[ . 1 . 2]" 1
1165 1 44 ARG HA 1 46 ARG H . . 4.840 4.107 3.961 4.248 . 0 0 "[ . 1 . 2]" 1
1166 1 44 ARG HA 1 46 ARG QG . . 4.340 4.225 4.020 4.338 . 0 0 "[ . 1 . 2]" 1
1167 1 44 ARG HA 1 47 VAL H . . 4.180 3.451 3.358 3.511 . 0 0 "[ . 1 . 2]" 1
1168 1 44 ARG HA 1 47 VAL MG1 . . 4.410 3.349 3.159 3.818 . 0 0 "[ . 1 . 2]" 1
1169 1 44 ARG HA 1 47 VAL MG2 . . 3.290 1.930 1.843 2.069 . 0 0 "[ . 1 . 2]" 1
1170 1 44 ARG HB2 1 44 ARG HD2 . . 3.970 2.297 2.156 2.428 . 0 0 "[ . 1 . 2]" 1
1171 1 44 ARG HB2 1 44 ARG QD . . 3.280 2.214 2.107 2.337 . 0 0 "[ . 1 . 2]" 1
1172 1 44 ARG HB2 1 44 ARG HD3 . . 3.970 2.945 2.650 3.267 . 0 0 "[ . 1 . 2]" 1
1173 1 44 ARG HB2 1 44 ARG QH1 . . 5.340 4.322 4.035 4.533 . 0 0 "[ . 1 . 2]" 1
1174 1 44 ARG HB2 1 45 PHE H . . 3.310 3.086 2.972 3.204 . 0 0 "[ . 1 . 2]" 1
1175 1 44 ARG HB2 1 47 VAL MG2 . . 4.500 4.326 4.230 4.468 . 0 0 "[ . 1 . 2]" 1
1176 1 44 ARG HB3 1 44 ARG HD2 . . 3.870 3.156 2.829 3.422 . 0 0 "[ . 1 . 2]" 1
1177 1 44 ARG HB3 1 44 ARG HD3 . . 3.870 2.769 2.578 2.942 . 0 0 "[ . 1 . 2]" 1
1178 1 44 ARG HB3 1 45 PHE H . . 3.910 3.748 3.603 3.905 . 0 0 "[ . 1 . 2]" 1
1179 1 44 ARG HB3 1 47 VAL MG2 . . 4.590 3.616 3.495 3.775 . 0 0 "[ . 1 . 2]" 1
1180 1 44 ARG HE 1 44 ARG HG2 . . 3.830 3.159 2.582 3.646 . 0 0 "[ . 1 . 2]" 1
1181 1 44 ARG HE 1 44 ARG HG3 . . 4.160 2.649 2.203 2.991 . 0 0 "[ . 1 . 2]" 1
1182 1 44 ARG HG3 1 45 PHE H . . 5.080 4.732 4.627 4.820 . 0 0 "[ . 1 . 2]" 1
1183 1 45 PHE H 1 45 PHE HB2 . . 3.420 2.553 2.445 2.616 . 0 0 "[ . 1 . 2]" 1
1184 1 45 PHE H 1 45 PHE HB3 . . 3.150 2.599 2.563 2.681 . 0 0 "[ . 1 . 2]" 1
1185 1 45 PHE H 1 45 PHE QD . . 4.350 4.201 4.157 4.220 . 0 0 "[ . 1 . 2]" 1
1186 1 45 PHE H 1 46 ARG H . . 3.360 2.374 2.309 2.449 . 0 0 "[ . 1 . 2]" 1
1187 1 45 PHE H 1 46 ARG QG . . 4.170 3.923 3.752 4.130 . 0 0 "[ . 1 . 2]" 1
1188 1 45 PHE H 1 47 VAL H . . 4.210 3.885 3.760 4.011 . 0 0 "[ . 1 . 2]" 1
1189 1 45 PHE H 1 48 LEU MD1 . . 5.140 4.486 4.318 4.679 . 0 0 "[ . 1 . 2]" 1
1190 1 45 PHE HA 1 45 PHE QD . . 3.680 2.516 2.237 2.828 . 0 0 "[ . 1 . 2]" 1
1191 1 45 PHE HA 1 45 PHE QE . . 4.850 4.456 4.340 4.585 . 0 0 "[ . 1 . 2]" 1
1192 1 45 PHE HA 1 46 ARG HA . . 4.850 4.693 4.673 4.712 . 0 0 "[ . 1 . 2]" 1
1193 1 45 PHE HA 1 47 VAL H . . 4.560 4.156 3.897 4.396 . 0 0 "[ . 1 . 2]" 1
1194 1 45 PHE HA 1 47 VAL MG2 . . 5.040 4.188 4.045 4.369 . 0 0 "[ . 1 . 2]" 1
1195 1 45 PHE HA 1 48 LEU H . . 4.210 3.496 3.404 3.633 . 0 0 "[ . 1 . 2]" 1
1196 1 45 PHE HA 1 48 LEU HB2 . . 4.690 3.253 3.066 3.460 . 0 0 "[ . 1 . 2]" 1
1197 1 45 PHE HA 1 48 LEU HB3 . . 5.150 4.541 4.399 4.687 . 0 0 "[ . 1 . 2]" 1
1198 1 45 PHE HA 1 48 LEU MD1 . . 3.350 2.078 1.962 2.288 . 0 0 "[ . 1 . 2]" 1
1199 1 45 PHE HA 1 48 LEU MD2 . . 4.160 3.940 3.557 4.160 0.000 10 0 "[ . 1 . 2]" 1
1200 1 45 PHE HA 1 48 LEU HG . . 3.350 2.485 2.004 2.771 . 0 0 "[ . 1 . 2]" 1
1201 1 45 PHE HA 1 53 ARG HG2 . . 5.500 4.714 4.425 5.016 . 0 0 "[ . 1 . 2]" 1
1202 1 45 PHE HB2 1 46 ARG H . . 4.020 3.984 3.923 4.019 . 0 0 "[ . 1 . 2]" 1
1203 1 45 PHE HB2 1 48 LEU MD1 . . 4.490 3.601 3.432 3.825 . 0 0 "[ . 1 . 2]" 1
1204 1 45 PHE HB3 1 46 ARG H . . 3.530 2.952 2.836 3.060 . 0 0 "[ . 1 . 2]" 1
1205 1 45 PHE HB3 1 48 LEU MD1 . . 5.170 4.262 4.078 4.466 . 0 0 "[ . 1 . 2]" 1
1206 1 45 PHE QD 1 46 ARG H . . 4.720 4.238 3.992 4.484 . 0 0 "[ . 1 . 2]" 1
1207 1 45 PHE QD 1 48 LEU MD1 . . 3.890 2.020 1.815 2.297 . 0 0 "[ . 1 . 2]" 1
1208 1 45 PHE QE 1 48 LEU MD1 . . 4.030 2.899 2.799 3.056 . 0 0 "[ . 1 . 2]" 1
1209 1 45 PHE QE 1 48 LEU MD2 . . 5.130 5.043 4.935 5.130 0.000 12 0 "[ . 1 . 2]" 1
1210 1 45 PHE QE 1 53 ARG HA . . 4.570 3.758 3.194 4.177 . 0 0 "[ . 1 . 2]" 1
1211 1 45 PHE QE 1 56 TRP HB2 . . 4.420 2.688 2.408 3.100 . 0 0 "[ . 1 . 2]" 1
1212 1 45 PHE QE 1 56 TRP HB3 . . 4.660 2.713 2.447 3.056 . 0 0 "[ . 1 . 2]" 1
1213 1 45 PHE QE 1 56 TRP HD1 . . 4.320 3.356 2.758 3.790 . 0 0 "[ . 1 . 2]" 1
1214 1 45 PHE HZ 1 53 ARG HA . . 4.110 3.819 3.419 4.090 . 0 0 "[ . 1 . 2]" 1
1215 1 45 PHE HZ 1 53 ARG QB . . 5.500 4.643 4.249 4.940 . 0 0 "[ . 1 . 2]" 1
1216 1 45 PHE HZ 1 56 TRP HB2 . . 4.230 3.178 2.868 3.678 . 0 0 "[ . 1 . 2]" 1
1217 1 45 PHE HZ 1 56 TRP HB3 . . 4.310 3.387 3.013 3.717 . 0 0 "[ . 1 . 2]" 1
1218 1 45 PHE HZ 1 57 ALA H . . 5.120 4.096 3.820 4.677 . 0 0 "[ . 1 . 2]" 1
1219 1 45 PHE HZ 1 57 ALA MB . . 4.980 3.639 3.374 4.044 . 0 0 "[ . 1 . 2]" 1
1220 1 46 ARG H 1 46 ARG HB2 . . 3.700 3.623 3.610 3.638 . 0 0 "[ . 1 . 2]" 1
1221 1 46 ARG H 1 46 ARG HB3 . . 2.980 2.543 2.468 2.620 . 0 0 "[ . 1 . 2]" 1
1222 1 46 ARG H 1 46 ARG QD . . 4.370 3.947 3.516 4.336 . 0 0 "[ . 1 . 2]" 1
1223 1 46 ARG H 1 46 ARG QG . . 3.250 2.266 2.144 2.390 . 0 0 "[ . 1 . 2]" 1
1224 1 46 ARG H 1 47 VAL H . . 3.230 2.366 2.304 2.419 . 0 0 "[ . 1 . 2]" 1
1225 1 46 ARG H 1 47 VAL MG1 . . 4.880 3.958 3.809 4.175 . 0 0 "[ . 1 . 2]" 1
1226 1 46 ARG H 1 47 VAL MG2 . . 4.260 3.565 3.440 3.745 . 0 0 "[ . 1 . 2]" 1
1227 1 46 ARG HA 1 46 ARG QD . . 4.460 4.349 4.191 4.460 . 0 0 "[ . 1 . 2]" 1
1228 1 46 ARG HA 1 46 ARG QG . . 3.380 3.331 3.317 3.342 . 0 0 "[ . 1 . 2]" 1
1229 1 46 ARG HA 1 47 VAL HA . . 5.180 4.665 4.567 4.720 . 0 0 "[ . 1 . 2]" 1
1230 1 46 ARG HA 1 47 VAL MG1 . . 5.310 4.778 4.569 4.893 . 0 0 "[ . 1 . 2]" 1
1231 1 46 ARG HA 1 47 VAL MG2 . . 5.500 4.970 4.908 5.076 . 0 0 "[ . 1 . 2]" 1
1232 1 46 ARG HA 1 48 LEU H . . 4.390 3.950 3.677 4.078 . 0 0 "[ . 1 . 2]" 1
1233 1 46 ARG HA 1 53 ARG HD2 . . 4.650 3.673 3.221 4.619 . 0 0 "[ . 1 . 2]" 1
1234 1 46 ARG HA 1 53 ARG HD3 . . 4.150 3.327 2.788 3.923 . 0 0 "[ . 1 . 2]" 1
1235 1 46 ARG HB2 1 46 ARG QD . . 3.200 2.486 2.095 2.896 . 0 0 "[ . 1 . 2]" 1
1236 1 46 ARG HB2 1 47 VAL H . . 4.220 4.066 3.918 4.217 . 0 0 "[ . 1 . 2]" 1
1237 1 46 ARG HB2 1 47 VAL MG1 . . 4.320 4.211 4.008 4.320 . 0 0 "[ . 1 . 2]" 1
1238 1 46 ARG HB3 1 46 ARG QD . . 3.200 2.514 2.197 3.067 . 0 0 "[ . 1 . 2]" 1
1239 1 46 ARG HB3 1 47 VAL H . . 4.080 3.968 3.856 4.080 . 0 0 "[ . 1 . 2]" 1
1240 1 46 ARG HB3 1 47 VAL MG2 . . 5.380 5.306 5.132 5.379 . 0 0 "[ . 1 . 2]" 1
1241 1 46 ARG QD 1 47 VAL MG1 . . 4.910 3.341 2.854 3.727 . 0 0 "[ . 1 . 2]" 1
1242 1 46 ARG QG 1 47 VAL H . . 3.780 2.375 2.194 2.661 . 0 0 "[ . 1 . 2]" 1
1243 1 46 ARG QG 1 47 VAL HA . . 4.570 3.280 3.154 3.496 . 0 0 "[ . 1 . 2]" 1
1244 1 46 ARG QG 1 47 VAL MG1 . . 3.780 1.998 1.914 2.126 . 0 0 "[ . 1 . 2]" 1
1245 1 46 ARG QG 1 47 VAL MG2 . . 4.000 3.372 3.126 3.509 . 0 0 "[ . 1 . 2]" 1
1246 1 47 VAL H 1 47 VAL HB . . 3.770 3.661 3.633 3.743 . 0 0 "[ . 1 . 2]" 1
1247 1 47 VAL H 1 47 VAL MG1 . . 3.090 2.487 2.273 2.729 . 0 0 "[ . 1 . 2]" 1
1248 1 47 VAL H 1 47 VAL MG2 . . 2.880 1.925 1.876 2.073 . 0 0 "[ . 1 . 2]" 1
1249 1 47 VAL H 1 48 LEU HB2 . . 4.480 4.347 4.194 4.453 . 0 0 "[ . 1 . 2]" 1
1250 1 47 VAL H 1 48 LEU MD1 . . 5.350 5.050 4.842 5.241 . 0 0 "[ . 1 . 2]" 1
1251 1 47 VAL HA 1 47 VAL MG1 . . 3.000 2.347 2.250 2.426 . 0 0 "[ . 1 . 2]" 1
1252 1 47 VAL HA 1 47 VAL MG2 . . 3.210 3.199 3.186 3.203 . 0 0 "[ . 1 . 2]" 1
1253 1 47 VAL HB 1 48 LEU H . . 4.380 4.131 3.992 4.370 . 0 0 "[ . 1 . 2]" 1
1254 1 47 VAL MG1 1 48 LEU H . . 4.380 4.078 3.996 4.259 . 0 0 "[ . 1 . 2]" 1
1255 1 47 VAL MG2 1 48 LEU H . . 3.740 2.597 2.371 3.173 . 0 0 "[ . 1 . 2]" 1
1256 1 47 VAL MG2 1 48 LEU HA . . 4.020 3.268 3.094 3.504 . 0 0 "[ . 1 . 2]" 1
1257 1 47 VAL MG2 1 48 LEU HG . . 4.920 3.584 3.426 3.944 . 0 0 "[ . 1 . 2]" 1
1258 1 48 LEU H 1 48 LEU HB2 . . 3.050 2.249 2.178 2.281 . 0 0 "[ . 1 . 2]" 1
1259 1 48 LEU H 1 48 LEU HB3 . . 3.540 3.532 3.491 3.550 0.010 19 0 "[ . 1 . 2]" 1
1260 1 48 LEU H 1 48 LEU MD1 . . 3.780 3.669 3.589 3.766 . 0 0 "[ . 1 . 2]" 1
1261 1 48 LEU H 1 48 LEU MD2 . . 4.080 3.849 3.778 3.938 . 0 0 "[ . 1 . 2]" 1
1262 1 48 LEU H 1 48 LEU HG . . 3.050 2.781 2.738 2.916 . 0 0 "[ . 1 . 2]" 1
1263 1 48 LEU H 1 49 SER H . . 4.650 4.646 4.626 4.649 . 0 0 "[ . 1 . 2]" 1
1264 1 48 LEU H 1 53 ARG HD2 . . 5.230 5.174 4.994 5.228 . 0 0 "[ . 1 . 2]" 1
1265 1 48 LEU H 1 53 ARG HD3 . . 4.710 3.803 3.451 4.139 . 0 0 "[ . 1 . 2]" 1
1266 1 48 LEU HA 1 48 LEU MD1 . . 4.140 3.817 3.811 3.820 . 0 0 "[ . 1 . 2]" 1
1267 1 48 LEU HA 1 48 LEU MD2 . . 2.950 2.100 1.975 2.299 . 0 0 "[ . 1 . 2]" 1
1268 1 48 LEU HA 1 48 LEU HG . . 3.740 2.713 2.660 2.773 . 0 0 "[ . 1 . 2]" 1
1269 1 48 LEU HA 1 49 SER H . . 2.690 2.368 2.332 2.438 . 0 0 "[ . 1 . 2]" 1
1270 1 48 LEU HA 1 52 GLU HB2 . . 4.370 4.034 3.944 4.155 . 0 0 "[ . 1 . 2]" 1
1271 1 48 LEU HA 1 52 GLU HB3 . . 4.910 4.657 4.468 4.858 . 0 0 "[ . 1 . 2]" 1
1272 1 48 LEU HB2 1 48 LEU MD1 . . 3.410 2.162 2.109 2.313 . 0 0 "[ . 1 . 2]" 1
1273 1 48 LEU HB2 1 48 LEU MD2 . . 3.560 3.178 3.171 3.186 . 0 0 "[ . 1 . 2]" 1
1274 1 48 LEU HB2 1 49 SER H . . 4.010 3.939 3.823 4.001 . 0 0 "[ . 1 . 2]" 1
1275 1 48 LEU HB2 1 52 GLU HB2 . . 4.290 4.085 3.972 4.189 . 0 0 "[ . 1 . 2]" 1
1276 1 48 LEU HB2 1 52 GLU HB3 . . 4.520 4.201 3.974 4.421 . 0 0 "[ . 1 . 2]" 1
1277 1 48 LEU HB2 1 53 ARG H . . 4.240 4.090 3.944 4.241 0.001 18 0 "[ . 1 . 2]" 1
1278 1 48 LEU HB2 1 53 ARG QB . . 4.650 4.333 4.127 4.478 . 0 0 "[ . 1 . 2]" 1
1279 1 48 LEU HB2 1 53 ARG HD2 . . 4.420 4.177 4.044 4.304 . 0 0 "[ . 1 . 2]" 1
1280 1 48 LEU HB2 1 53 ARG HD3 . . 4.350 3.257 2.949 3.467 . 0 0 "[ . 1 . 2]" 1
1281 1 48 LEU HB2 1 53 ARG HG3 . . 4.260 3.217 2.906 3.344 . 0 0 "[ . 1 . 2]" 1
1282 1 48 LEU HB3 1 48 LEU MD1 . . 3.400 2.479 2.324 2.535 . 0 0 "[ . 1 . 2]" 1
1283 1 48 LEU HB3 1 48 LEU MD2 . . 3.280 2.297 2.163 2.369 . 0 0 "[ . 1 . 2]" 1
1284 1 48 LEU HB3 1 49 SER H . . 3.280 2.583 2.410 2.677 . 0 0 "[ . 1 . 2]" 1
1285 1 48 LEU HB3 1 49 SER HA . . 5.230 4.618 4.539 4.670 . 0 0 "[ . 1 . 2]" 1
1286 1 48 LEU HB3 1 52 GLU H . . 4.850 4.330 4.182 4.433 . 0 0 "[ . 1 . 2]" 1
1287 1 48 LEU HB3 1 52 GLU HB2 . . 3.710 2.340 2.261 2.434 . 0 0 "[ . 1 . 2]" 1
1288 1 48 LEU HB3 1 52 GLU HB3 . . 3.640 2.702 2.539 2.896 . 0 0 "[ . 1 . 2]" 1
1289 1 48 LEU HB3 1 52 GLU HG2 . . 5.100 4.425 3.710 4.880 . 0 0 "[ . 1 . 2]" 1
1290 1 48 LEU HB3 1 52 GLU QG . . 4.260 3.959 3.561 4.259 . 0 0 "[ . 1 . 2]" 1
1291 1 48 LEU HB3 1 52 GLU HG3 . . 5.100 4.606 3.841 4.996 . 0 0 "[ . 1 . 2]" 1
1292 1 48 LEU HB3 1 53 ARG H . . 3.520 3.066 2.882 3.254 . 0 0 "[ . 1 . 2]" 1
1293 1 48 LEU HB3 1 53 ARG HD2 . . 5.450 5.088 4.922 5.227 . 0 0 "[ . 1 . 2]" 1
1294 1 48 LEU HB3 1 53 ARG HD3 . . 5.070 4.220 3.992 4.392 . 0 0 "[ . 1 . 2]" 1
1295 1 48 LEU HB3 1 53 ARG HG3 . . 4.610 3.006 2.688 3.149 . 0 0 "[ . 1 . 2]" 1
1296 1 48 LEU HB3 1 56 TRP HD1 . . 5.210 4.229 4.030 4.434 . 0 0 "[ . 1 . 2]" 1
1297 1 48 LEU MD1 1 49 SER H . . 4.480 4.379 4.224 4.480 . 13 0 "[ . 1 . 2]" 1
1298 1 48 LEU MD1 1 52 GLU H . . 5.500 5.387 5.242 5.501 0.001 8 0 "[ . 1 . 2]" 1
1299 1 48 LEU MD1 1 52 GLU HB2 . . 4.230 3.642 3.432 3.799 . 0 0 "[ . 1 . 2]" 1
1300 1 48 LEU MD1 1 52 GLU HB3 . . 4.070 2.595 2.382 2.804 . 0 0 "[ . 1 . 2]" 1
1301 1 48 LEU MD1 1 52 GLU HG2 . . 5.250 4.421 4.109 5.189 . 0 0 "[ . 1 . 2]" 1
1302 1 48 LEU MD1 1 52 GLU QG . . 4.470 3.970 3.712 4.274 . 0 0 "[ . 1 . 2]" 1
1303 1 48 LEU MD1 1 52 GLU HG3 . . 5.250 4.649 3.848 5.184 . 0 0 "[ . 1 . 2]" 1
1304 1 48 LEU MD1 1 53 ARG HA . . 4.030 3.094 2.665 3.311 . 0 0 "[ . 1 . 2]" 1
1305 1 48 LEU MD1 1 53 ARG HG2 . . 4.340 2.915 2.712 3.065 . 0 0 "[ . 1 . 2]" 1
1306 1 48 LEU MD1 1 53 ARG HG3 . . 4.220 4.156 3.963 4.219 . 0 0 "[ . 1 . 2]" 1
1307 1 48 LEU MD1 1 56 TRP HD1 . . 3.620 2.305 2.111 2.479 . 0 0 "[ . 1 . 2]" 1
1308 1 48 LEU MD1 1 56 TRP HE1 . . 3.730 2.975 2.683 3.337 . 0 0 "[ . 1 . 2]" 1
1309 1 48 LEU MD1 1 56 TRP HZ2 . . 5.500 5.146 4.887 5.379 . 0 0 "[ . 1 . 2]" 1
1310 1 48 LEU MD2 1 49 SER H . . 3.770 2.413 2.290 2.608 . 0 0 "[ . 1 . 2]" 1
1311 1 48 LEU MD2 1 52 GLU HB2 . . 3.920 2.691 2.407 2.876 . 0 0 "[ . 1 . 2]" 1
1312 1 48 LEU MD2 1 52 GLU HB3 . . 3.740 2.251 1.997 2.432 . 0 0 "[ . 1 . 2]" 1
1313 1 48 LEU MD2 1 52 GLU HG2 . . 4.470 3.012 2.310 3.727 . 0 0 "[ . 1 . 2]" 1
1314 1 48 LEU MD2 1 52 GLU QG . . 3.680 2.692 2.227 3.274 . 0 0 "[ . 1 . 2]" 1
1315 1 48 LEU MD2 1 52 GLU HG3 . . 4.470 3.329 2.248 3.888 . 0 0 "[ . 1 . 2]" 1
1316 1 48 LEU MD2 1 53 ARG HA . . 5.230 4.911 4.703 5.120 . 0 0 "[ . 1 . 2]" 1
1317 1 48 LEU MD2 1 56 TRP HD1 . . 4.210 3.473 3.084 3.827 . 0 0 "[ . 1 . 2]" 1
1318 1 48 LEU MD2 1 56 TRP HE1 . . 4.380 2.992 2.759 3.174 . 0 0 "[ . 1 . 2]" 1
1319 1 48 LEU HG 1 49 SER H . . 4.500 4.450 4.392 4.502 0.002 19 0 "[ . 1 . 2]" 1
1320 1 48 LEU HG 1 52 GLU HB2 . . 4.950 4.914 4.849 4.950 . 17 0 "[ . 1 . 2]" 1
1321 1 48 LEU HG 1 52 GLU HB3 . . 5.130 4.549 4.400 4.698 . 0 0 "[ . 1 . 2]" 1
1322 1 49 SER H 1 49 SER HB2 . . 3.020 2.367 2.237 2.556 . 0 0 "[ . 1 . 2]" 1
1323 1 49 SER H 1 49 SER HB3 . . 3.140 2.739 2.520 2.892 . 0 0 "[ . 1 . 2]" 1
1324 1 49 SER H 1 52 GLU H . . 4.140 3.811 3.681 3.894 . 0 0 "[ . 1 . 2]" 1
1325 1 49 SER H 1 52 GLU HB2 . . 3.460 2.359 2.140 2.448 . 0 0 "[ . 1 . 2]" 1
1326 1 49 SER H 1 52 GLU HB3 . . 3.780 3.686 3.462 3.779 . 0 0 "[ . 1 . 2]" 1
1327 1 49 SER H 1 52 GLU HG2 . . 4.760 3.851 2.872 4.684 . 0 0 "[ . 1 . 2]" 1
1328 1 49 SER H 1 52 GLU QG . . 4.000 3.277 2.839 3.740 . 0 0 "[ . 1 . 2]" 1
1329 1 49 SER H 1 52 GLU HG3 . . 4.760 4.005 3.130 4.683 . 0 0 "[ . 1 . 2]" 1
1330 1 49 SER H 1 53 ARG H . . 5.010 4.261 4.012 4.444 . 0 0 "[ . 1 . 2]" 1
1331 1 49 SER HA 1 50 THR H . . 3.070 2.180 2.161 2.201 . 0 0 "[ . 1 . 2]" 1
1332 1 49 SER HA 1 50 THR HA . . 4.660 4.323 4.312 4.334 . 0 0 "[ . 1 . 2]" 1
1333 1 49 SER HA 1 51 GLU H . . 3.910 3.854 3.792 3.910 0.000 12 0 "[ . 1 . 2]" 1
1334 1 49 SER HB2 1 50 THR H . . 4.630 4.259 4.125 4.353 . 0 0 "[ . 1 . 2]" 1
1335 1 49 SER HB2 1 51 GLU H . . 4.790 4.291 4.213 4.380 . 0 0 "[ . 1 . 2]" 1
1336 1 49 SER HB2 1 52 GLU H . . 5.070 3.858 3.712 3.985 . 0 0 "[ . 1 . 2]" 1
1337 1 49 SER HB2 1 52 GLU QG . . 3.850 3.538 3.239 3.808 . 0 0 "[ . 1 . 2]" 1
1338 1 49 SER HB3 1 50 THR H . . 4.490 3.917 3.815 4.097 . 0 0 "[ . 1 . 2]" 1
1339 1 49 SER HB3 1 51 GLU H . . 3.550 2.889 2.711 3.118 . 0 0 "[ . 1 . 2]" 1
1340 1 49 SER HB3 1 51 GLU HB2 . . 5.090 3.116 2.953 3.372 . 0 0 "[ . 1 . 2]" 1
1341 1 49 SER HB3 1 51 GLU HB3 . . 5.070 4.680 4.410 4.983 . 0 0 "[ . 1 . 2]" 1
1342 1 49 SER HB3 1 52 GLU H . . 4.060 2.170 2.084 2.289 . 0 0 "[ . 1 . 2]" 1
1343 1 49 SER HB3 1 53 ARG H . . 5.220 4.326 4.169 4.435 . 0 0 "[ . 1 . 2]" 1
1344 1 50 THR H 1 50 THR HB . . 3.380 2.747 2.581 2.922 . 0 0 "[ . 1 . 2]" 1
1345 1 50 THR H 1 50 THR MG . . 4.260 3.769 3.723 3.780 . 0 0 "[ . 1 . 2]" 1
1346 1 50 THR H 1 51 GLU H . . 4.030 2.927 2.883 2.981 . 0 0 "[ . 1 . 2]" 1
1347 1 50 THR HA 1 50 THR MG . . 3.200 2.347 2.266 2.479 . 0 0 "[ . 1 . 2]" 1
1348 1 50 THR HA 1 51 GLU HA . . 4.720 4.691 4.657 4.710 . 0 0 "[ . 1 . 2]" 1
1349 1 50 THR HA 1 52 GLU H . . 5.210 4.828 4.684 5.004 . 0 0 "[ . 1 . 2]" 1
1350 1 50 THR HA 1 53 ARG H . . 4.120 3.997 3.809 4.116 . 0 0 "[ . 1 . 2]" 1
1351 1 50 THR HA 1 53 ARG QB . . 3.470 3.356 3.063 3.468 . 0 0 "[ . 1 . 2]" 1
1352 1 50 THR HA 1 53 ARG HD2 . . 4.940 4.806 4.422 4.940 . 0 0 "[ . 1 . 2]" 1
1353 1 50 THR HA 1 53 ARG HD3 . . 4.840 4.419 4.030 4.814 . 0 0 "[ . 1 . 2]" 1
1354 1 50 THR HA 1 53 ARG HG3 . . 4.850 3.111 2.995 3.356 . 0 0 "[ . 1 . 2]" 1
1355 1 50 THR HA 1 54 LYS H . . 4.610 4.410 4.252 4.589 . 0 0 "[ . 1 . 2]" 1
1356 1 50 THR HB 1 51 GLU H . . 3.230 2.902 2.792 3.010 . 0 0 "[ . 1 . 2]" 1
1357 1 50 THR MG 1 51 GLU H . . 4.140 3.737 3.575 3.866 . 0 0 "[ . 1 . 2]" 1
1358 1 50 THR MG 1 51 GLU HA . . 4.180 3.692 3.412 3.979 . 0 0 "[ . 1 . 2]" 1
1359 1 51 GLU H 1 51 GLU HB2 . . 3.200 2.389 2.204 2.502 . 0 0 "[ . 1 . 2]" 1
1360 1 51 GLU H 1 51 GLU HB3 . . 3.780 3.591 3.500 3.633 . 0 0 "[ . 1 . 2]" 1
1361 1 51 GLU H 1 51 GLU HG2 . . 3.920 3.281 2.315 3.895 . 0 0 "[ . 1 . 2]" 1
1362 1 51 GLU H 1 51 GLU HG3 . . 3.920 3.212 2.267 3.913 . 0 0 "[ . 1 . 2]" 1
1363 1 51 GLU H 1 52 GLU H . . 3.330 2.485 2.359 2.592 . 0 0 "[ . 1 . 2]" 1
1364 1 51 GLU H 1 53 ARG H . . 4.730 4.042 3.903 4.213 . 0 0 "[ . 1 . 2]" 1
1365 1 51 GLU HA 1 51 GLU HB3 . . 2.780 2.523 2.454 2.655 . 0 0 "[ . 1 . 2]" 1
1366 1 51 GLU HA 1 51 GLU HG2 . . 3.880 2.826 2.245 3.728 . 0 0 "[ . 1 . 2]" 1
1367 1 51 GLU HA 1 51 GLU QG . . 3.330 2.582 2.195 3.036 . 0 0 "[ . 1 . 2]" 1
1368 1 51 GLU HA 1 51 GLU HG3 . . 3.880 3.228 2.548 3.764 . 0 0 "[ . 1 . 2]" 1
1369 1 51 GLU HA 1 54 LYS H . . 4.200 3.822 3.667 3.991 . 0 0 "[ . 1 . 2]" 1
1370 1 51 GLU HA 1 54 LYS QD . . 3.690 2.452 2.112 3.041 . 0 0 "[ . 1 . 2]" 1
1371 1 51 GLU HA 1 54 LYS HG2 . . 4.020 2.071 1.999 2.208 . 0 0 "[ . 1 . 2]" 1
1372 1 51 GLU HA 1 54 LYS HG3 . . 4.670 3.171 2.901 3.460 . 0 0 "[ . 1 . 2]" 1
1373 1 51 GLU HA 1 55 VAL H . . 4.180 3.993 3.857 4.119 . 0 0 "[ . 1 . 2]" 1
1374 1 51 GLU HA 1 55 VAL MG2 . . 4.280 3.428 3.296 3.671 . 0 0 "[ . 1 . 2]" 1
1375 1 51 GLU HB2 1 51 GLU QG . . 2.540 2.267 2.142 2.456 . 0 0 "[ . 1 . 2]" 1
1376 1 51 GLU HB2 1 52 GLU H . . 3.080 2.500 2.303 2.686 . 0 0 "[ . 1 . 2]" 1
1377 1 51 GLU HB2 1 52 GLU HA . . 5.240 4.321 4.148 4.603 . 0 0 "[ . 1 . 2]" 1
1378 1 51 GLU HB3 1 52 GLU H . . 3.910 3.422 3.090 3.622 . 0 0 "[ . 1 . 2]" 1
1379 1 51 GLU HB3 1 52 GLU HA . . 4.600 4.268 3.983 4.429 . 0 0 "[ . 1 . 2]" 1
1380 1 51 GLU HB3 1 55 VAL MG2 . . 3.890 2.836 2.679 3.030 . 0 0 "[ . 1 . 2]" 1
1381 1 51 GLU QG 1 52 GLU H . . 4.420 4.106 3.869 4.413 . 0 0 "[ . 1 . 2]" 1
1382 1 51 GLU HG2 1 52 GLU H . . 5.170 4.690 4.133 5.024 . 0 0 "[ . 1 . 2]" 1
1383 1 51 GLU HG3 1 52 GLU H . . 5.170 4.634 4.183 5.019 . 0 0 "[ . 1 . 2]" 1
1384 1 52 GLU H 1 52 GLU HB2 . . 3.040 2.294 2.204 2.353 . 0 0 "[ . 1 . 2]" 1
1385 1 52 GLU H 1 52 GLU HB3 . . 3.620 3.547 3.504 3.568 . 0 0 "[ . 1 . 2]" 1
1386 1 52 GLU H 1 52 GLU HG2 . . 3.940 3.613 2.831 3.938 . 0 0 "[ . 1 . 2]" 1
1387 1 52 GLU H 1 52 GLU QG . . 3.350 2.905 2.429 3.350 . 0 0 "[ . 1 . 2]" 1
1388 1 52 GLU H 1 52 GLU HG3 . . 3.940 3.309 2.464 3.940 . 13 0 "[ . 1 . 2]" 1
1389 1 52 GLU H 1 53 ARG H . . 3.140 2.839 2.707 2.953 . 0 0 "[ . 1 . 2]" 1
1390 1 52 GLU H 1 53 ARG HG2 . . 5.500 5.437 5.303 5.500 . 0 0 "[ . 1 . 2]" 1
1391 1 52 GLU H 1 53 ARG HG3 . . 5.250 4.368 4.138 4.554 . 0 0 "[ . 1 . 2]" 1
1392 1 52 GLU H 1 55 VAL HB . . 5.350 4.767 4.582 4.944 . 0 0 "[ . 1 . 2]" 1
1393 1 52 GLU H 1 55 VAL MG2 . . 4.390 3.881 3.604 4.145 . 0 0 "[ . 1 . 2]" 1
1394 1 52 GLU HA 1 52 GLU HG2 . . 3.890 3.004 2.476 3.683 . 0 0 "[ . 1 . 2]" 1
1395 1 52 GLU HA 1 52 GLU QG . . 3.170 2.471 2.310 2.700 . 0 0 "[ . 1 . 2]" 1
1396 1 52 GLU HA 1 52 GLU HG3 . . 3.890 2.826 2.379 3.632 . 0 0 "[ . 1 . 2]" 1
1397 1 52 GLU HA 1 55 VAL H . . 3.900 3.615 3.428 3.729 . 0 0 "[ . 1 . 2]" 1
1398 1 52 GLU HA 1 55 VAL HB . . 3.480 2.415 2.222 2.605 . 0 0 "[ . 1 . 2]" 1
1399 1 52 GLU HA 1 55 VAL MG1 . . 4.110 3.628 3.472 3.823 . 0 0 "[ . 1 . 2]" 1
1400 1 52 GLU HA 1 55 VAL MG2 . . 3.200 2.671 2.259 2.991 . 0 0 "[ . 1 . 2]" 1
1401 1 52 GLU HA 1 56 TRP H . . 4.020 3.679 3.445 3.803 . 0 0 "[ . 1 . 2]" 1
1402 1 52 GLU HA 1 56 TRP HB2 . . 5.450 5.167 4.732 5.347 . 0 0 "[ . 1 . 2]" 1
1403 1 52 GLU HA 1 56 TRP HD1 . . 4.470 3.650 3.274 3.872 . 0 0 "[ . 1 . 2]" 1
1404 1 52 GLU HA 1 56 TRP HE1 . . 5.130 4.451 4.099 4.676 . 0 0 "[ . 1 . 2]" 1
1405 1 52 GLU HB2 1 53 ARG H . . 3.590 2.654 2.512 2.847 . 0 0 "[ . 1 . 2]" 1
1406 1 52 GLU HB2 1 56 TRP HD1 . . 5.080 4.156 3.933 4.370 . 0 0 "[ . 1 . 2]" 1
1407 1 52 GLU HB2 1 56 TRP HE1 . . 5.050 4.881 4.541 5.048 . 0 0 "[ . 1 . 2]" 1
1408 1 52 GLU HB3 1 53 ARG H . . 3.630 3.268 3.136 3.436 . 0 0 "[ . 1 . 2]" 1
1409 1 52 GLU HB3 1 53 ARG HA . . 4.310 4.078 4.015 4.170 . 0 0 "[ . 1 . 2]" 1
1410 1 52 GLU HB3 1 56 TRP HD1 . . 4.650 2.553 2.252 2.747 . 0 0 "[ . 1 . 2]" 1
1411 1 52 GLU HB3 1 56 TRP HE1 . . 4.870 3.208 2.845 3.361 . 0 0 "[ . 1 . 2]" 1
1412 1 52 GLU QG 1 53 ARG H . . 4.490 4.345 4.206 4.481 . 0 0 "[ . 1 . 2]" 1
1413 1 52 GLU QG 1 55 VAL MG1 . . 5.340 4.628 4.301 5.229 . 0 0 "[ . 1 . 2]" 1
1414 1 52 GLU QG 1 55 VAL MG2 . . 4.540 4.200 3.635 4.533 . 0 0 "[ . 1 . 2]" 1
1415 1 52 GLU QG 1 56 TRP HD1 . . 4.010 3.983 3.898 4.015 0.005 18 0 "[ . 1 . 2]" 1
1416 1 52 GLU QG 1 56 TRP HE1 . . 3.900 3.362 3.074 3.705 . 0 0 "[ . 1 . 2]" 1
1417 1 52 GLU HG2 1 53 ARG H . . 5.120 4.929 4.739 5.088 . 0 0 "[ . 1 . 2]" 1
1418 1 52 GLU HG3 1 53 ARG H . . 5.120 4.862 4.524 5.123 0.003 20 0 "[ . 1 . 2]" 1
1419 1 53 ARG H 1 53 ARG QB . . 2.930 2.572 2.496 2.690 . 0 0 "[ . 1 . 2]" 1
1420 1 53 ARG H 1 53 ARG HD2 . . 4.840 4.681 4.542 4.803 . 0 0 "[ . 1 . 2]" 1
1421 1 53 ARG H 1 53 ARG HD3 . . 4.840 4.577 4.391 4.711 . 0 0 "[ . 1 . 2]" 1
1422 1 53 ARG H 1 53 ARG HG2 . . 3.670 2.869 2.700 3.089 . 0 0 "[ . 1 . 2]" 1
1423 1 53 ARG H 1 53 ARG HG3 . . 3.680 2.141 1.917 2.275 . 0 0 "[ . 1 . 2]" 1
1424 1 53 ARG H 1 54 LYS H . . 3.410 3.003 2.818 3.122 . 0 0 "[ . 1 . 2]" 1
1425 1 53 ARG H 1 54 LYS HG2 . . 5.020 4.291 4.060 4.652 . 0 0 "[ . 1 . 2]" 1
1426 1 53 ARG H 1 55 VAL H . . 4.440 3.992 3.866 4.123 . 0 0 "[ . 1 . 2]" 1
1427 1 53 ARG H 1 56 TRP H . . 5.050 4.824 4.730 4.893 . 0 0 "[ . 1 . 2]" 1
1428 1 53 ARG H 1 56 TRP HD1 . . 4.890 4.330 4.193 4.448 . 0 0 "[ . 1 . 2]" 1
1429 1 53 ARG HA 1 53 ARG HD2 . . 4.420 4.063 3.947 4.243 . 0 0 "[ . 1 . 2]" 1
1430 1 53 ARG HA 1 53 ARG HD3 . . 4.780 4.684 4.529 4.781 0.001 12 0 "[ . 1 . 2]" 1
1431 1 53 ARG HA 1 53 ARG HG2 . . 3.570 2.508 2.435 2.640 . 0 0 "[ . 1 . 2]" 1
1432 1 53 ARG HA 1 53 ARG HG3 . . 3.410 3.383 3.258 3.410 0.000 10 0 "[ . 1 . 2]" 1
1433 1 53 ARG HA 1 55 VAL H . . 4.920 4.364 4.204 4.498 . 0 0 "[ . 1 . 2]" 1
1434 1 53 ARG HA 1 56 TRP H . . 3.980 3.921 3.774 3.983 0.003 18 0 "[ . 1 . 2]" 1
1435 1 53 ARG HA 1 56 TRP HB2 . . 3.920 3.208 3.004 3.380 . 0 0 "[ . 1 . 2]" 1
1436 1 53 ARG HA 1 56 TRP HD1 . . 3.610 3.385 3.192 3.613 0.003 18 0 "[ . 1 . 2]" 1
1437 1 53 ARG HA 1 57 ALA H . . 4.320 4.230 4.066 4.316 . 0 0 "[ . 1 . 2]" 1
1438 1 53 ARG QB 1 53 ARG HD2 . . 3.500 2.220 2.102 2.351 . 0 0 "[ . 1 . 2]" 1
1439 1 53 ARG QB 1 53 ARG HD3 . . 3.520 3.269 3.233 3.293 . 0 0 "[ . 1 . 2]" 1
1440 1 53 ARG QB 1 54 LYS H . . 3.230 2.069 1.970 2.245 . 0 0 "[ . 1 . 2]" 1
1441 1 53 ARG QB 1 54 LYS HA . . 4.690 3.775 3.746 3.827 . 0 0 "[ . 1 . 2]" 1
1442 1 53 ARG HG2 1 54 LYS H . . 5.350 4.628 4.575 4.742 . 0 0 "[ . 1 . 2]" 1
1443 1 53 ARG HG3 1 54 LYS H . . 5.470 3.958 3.756 4.098 . 0 0 "[ . 1 . 2]" 1
1444 1 54 LYS H 1 54 LYS QB . . 2.620 2.438 2.346 2.517 . 0 0 "[ . 1 . 2]" 1
1445 1 54 LYS H 1 54 LYS QD . . 4.520 3.993 3.855 4.311 . 0 0 "[ . 1 . 2]" 1
1446 1 54 LYS H 1 54 LYS HG2 . . 3.580 2.317 2.171 2.531 . 0 0 "[ . 1 . 2]" 1
1447 1 54 LYS H 1 54 LYS HG3 . . 4.000 3.209 2.938 3.381 . 0 0 "[ . 1 . 2]" 1
1448 1 54 LYS H 1 55 VAL H . . 3.160 2.748 2.614 2.840 . 0 0 "[ . 1 . 2]" 1
1449 1 54 LYS H 1 55 VAL HB . . 5.500 4.934 4.783 5.134 . 0 0 "[ . 1 . 2]" 1
1450 1 54 LYS H 1 55 VAL MG2 . . 4.850 4.314 4.078 4.552 . 0 0 "[ . 1 . 2]" 1
1451 1 54 LYS H 1 56 TRP H . . 4.910 4.761 4.638 4.866 . 0 0 "[ . 1 . 2]" 1
1452 1 54 LYS H 1 57 ALA MB . . 5.050 4.575 4.422 4.637 . 0 0 "[ . 1 . 2]" 1
1453 1 54 LYS HA 1 54 LYS QD . . 4.470 4.391 4.182 4.455 . 0 0 "[ . 1 . 2]" 1
1454 1 54 LYS HA 1 54 LYS HG2 . . 3.930 3.847 3.796 3.926 . 0 0 "[ . 1 . 2]" 1
1455 1 54 LYS HA 1 54 LYS HG3 . . 3.830 3.670 3.597 3.714 . 0 0 "[ . 1 . 2]" 1
1456 1 54 LYS HA 1 57 ALA H . . 3.770 3.680 3.605 3.772 0.002 18 0 "[ . 1 . 2]" 1
1457 1 54 LYS HA 1 57 ALA MB . . 2.990 2.607 2.431 2.773 . 0 0 "[ . 1 . 2]" 1
1458 1 54 LYS HA 1 58 ASN H . . 4.750 4.581 4.480 4.659 . 0 0 "[ . 1 . 2]" 1
1459 1 54 LYS QB 1 54 LYS QD . . 3.200 2.209 2.023 2.294 . 0 0 "[ . 1 . 2]" 1
1460 1 54 LYS QB 1 54 LYS QE . . 4.290 2.411 1.974 3.657 . 0 0 "[ . 1 . 2]" 1
1461 1 54 LYS QB 1 55 VAL H . . 3.600 3.444 3.378 3.502 . 0 0 "[ . 1 . 2]" 1
1462 1 54 LYS QB 1 55 VAL HA . . 4.510 4.372 4.301 4.507 . 0 0 "[ . 1 . 2]" 1
1463 1 54 LYS QB 1 57 ALA H . . 5.230 5.064 4.999 5.125 . 0 0 "[ . 1 . 2]" 1
1464 1 54 LYS QB 1 58 ASN H . . 5.500 5.252 5.149 5.337 . 0 0 "[ . 1 . 2]" 1
1465 1 54 LYS QB 1 58 ASN HB2 . . 5.330 5.176 4.981 5.310 . 0 0 "[ . 1 . 2]" 1
1466 1 54 LYS QB 1 58 ASN HD21 . . 5.140 3.341 3.080 3.559 . 0 0 "[ . 1 . 2]" 1
1467 1 54 LYS QB 1 58 ASN HD22 . . 4.740 3.245 3.077 3.429 . 0 0 "[ . 1 . 2]" 1
1468 1 54 LYS QD 1 54 LYS HG3 . . 2.540 2.433 2.177 2.478 . 0 0 "[ . 1 . 2]" 1
1469 1 54 LYS QD 1 55 VAL H . . 4.730 4.123 3.840 4.329 . 0 0 "[ . 1 . 2]" 1
1470 1 54 LYS QD 1 58 ASN HD21 . . 5.370 4.688 3.523 5.123 . 0 0 "[ . 1 . 2]" 1
1471 1 54 LYS QD 1 58 ASN HD22 . . 5.080 4.657 3.368 5.080 0.000 18 0 "[ . 1 . 2]" 1
1472 1 54 LYS QE 1 55 VAL H . . 5.290 4.170 3.774 5.004 . 0 0 "[ . 1 . 2]" 1
1473 1 54 LYS QE 1 55 VAL MG2 . . 4.580 3.267 2.471 4.579 . 0 0 "[ . 1 . 2]" 1
1474 1 54 LYS QE 1 58 ASN HD22 . . 4.530 3.440 2.793 4.523 . 0 0 "[ . 1 . 2]" 1
1475 1 54 LYS HG2 1 55 VAL H . . 4.690 2.803 2.561 3.143 . 0 0 "[ . 1 . 2]" 1
1476 1 54 LYS HG3 1 55 VAL H . . 4.630 2.099 1.953 2.255 . 0 0 "[ . 1 . 2]" 1
1477 1 54 LYS HG3 1 55 VAL HA . . 4.930 3.237 3.030 3.396 . 0 0 "[ . 1 . 2]" 1
1478 1 54 LYS HG3 1 55 VAL MG2 . . 4.770 2.193 1.982 2.606 . 0 0 "[ . 1 . 2]" 1
1479 1 54 LYS HG3 1 57 ALA H . . 5.500 5.470 5.405 5.501 0.001 18 0 "[ . 1 . 2]" 1
1480 1 54 LYS HG3 1 58 ASN HD21 . . 4.860 3.698 3.185 3.976 . 0 0 "[ . 1 . 2]" 1
1481 1 54 LYS HG3 1 58 ASN HD22 . . 4.770 4.530 3.790 4.769 . 0 0 "[ . 1 . 2]" 1
1482 1 55 VAL H 1 55 VAL HB . . 2.890 2.475 2.344 2.568 . 0 0 "[ . 1 . 2]" 1
1483 1 55 VAL H 1 55 VAL MG1 . . 3.810 3.752 3.714 3.768 . 0 0 "[ . 1 . 2]" 1
1484 1 55 VAL H 1 55 VAL MG2 . . 2.870 2.297 2.121 2.593 . 0 0 "[ . 1 . 2]" 1
1485 1 55 VAL H 1 57 ALA H . . 4.540 3.978 3.870 4.081 . 0 0 "[ . 1 . 2]" 1
1486 1 55 VAL H 1 57 ALA MB . . 5.230 4.602 4.408 4.694 . 0 0 "[ . 1 . 2]" 1
1487 1 55 VAL H 1 58 ASN H . . 5.230 4.743 4.600 4.839 . 0 0 "[ . 1 . 2]" 1
1488 1 55 VAL HA 1 55 VAL MG1 . . 3.120 2.436 2.337 2.503 . 0 0 "[ . 1 . 2]" 1
1489 1 55 VAL HA 1 55 VAL MG2 . . 2.910 2.328 2.140 2.416 . 0 0 "[ . 1 . 2]" 1
1490 1 55 VAL HA 1 57 ALA H . . 4.730 4.312 4.182 4.428 . 0 0 "[ . 1 . 2]" 1
1491 1 55 VAL HA 1 58 ASN H . . 3.960 3.431 3.271 3.537 . 0 0 "[ . 1 . 2]" 1
1492 1 55 VAL HA 1 58 ASN HB2 . . 3.610 2.650 2.468 2.826 . 0 0 "[ . 1 . 2]" 1
1493 1 55 VAL HA 1 58 ASN HB3 . . 4.500 4.236 4.046 4.444 . 0 0 "[ . 1 . 2]" 1
1494 1 55 VAL HA 1 58 ASN HD21 . . 4.020 2.618 2.341 2.818 . 0 0 "[ . 1 . 2]" 1
1495 1 55 VAL HA 1 58 ASN HD22 . . 4.740 4.299 4.013 4.521 . 0 0 "[ . 1 . 2]" 1
1496 1 55 VAL HA 1 59 LYS H . . 4.770 4.522 4.298 4.659 . 0 0 "[ . 1 . 2]" 1
1497 1 55 VAL HB 1 56 TRP H . . 3.170 2.195 2.127 2.301 . 0 0 "[ . 1 . 2]" 1
1498 1 55 VAL HB 1 56 TRP HA . . 5.500 4.266 4.128 4.438 . 0 0 "[ . 1 . 2]" 1
1499 1 55 VAL HB 1 56 TRP HD1 . . 4.520 4.107 3.865 4.245 . 0 0 "[ . 1 . 2]" 1
1500 1 55 VAL HB 1 57 ALA H . . 4.750 4.680 4.578 4.747 . 0 0 "[ . 1 . 2]" 1
1501 1 55 VAL MG1 1 56 TRP H . . 3.670 2.904 2.566 3.138 . 0 0 "[ . 1 . 2]" 1
1502 1 55 VAL MG1 1 56 TRP HA . . 4.040 3.162 2.973 3.440 . 0 0 "[ . 1 . 2]" 1
1503 1 55 VAL MG1 1 57 ALA H . . 4.900 4.657 4.482 4.838 . 0 0 "[ . 1 . 2]" 1
1504 1 55 VAL MG1 1 58 ASN H . . 4.960 4.205 4.108 4.305 . 0 0 "[ . 1 . 2]" 1
1505 1 55 VAL MG1 1 59 LYS H . . 4.670 4.051 3.858 4.154 . 0 0 "[ . 1 . 2]" 1
1506 1 55 VAL MG1 1 59 LYS HD2 . . 4.260 2.918 2.453 3.954 . 0 0 "[ . 1 . 2]" 1
1507 1 55 VAL MG1 1 59 LYS QD . . 3.710 2.829 2.425 3.641 . 0 0 "[ . 1 . 2]" 1
1508 1 55 VAL MG1 1 59 LYS HD3 . . 4.260 4.006 3.754 4.260 0.000 18 0 "[ . 1 . 2]" 1
1509 1 55 VAL MG1 1 59 LYS HE2 . . 3.810 2.741 1.873 3.779 . 0 0 "[ . 1 . 2]" 1
1510 1 55 VAL MG1 1 59 LYS HE3 . . 3.810 2.607 1.918 3.196 . 0 0 "[ . 1 . 2]" 1
1511 1 55 VAL MG1 1 59 LYS HG2 . . 4.120 3.479 3.048 3.697 . 0 0 "[ . 1 . 2]" 1
1512 1 55 VAL MG1 1 59 LYS QG . . 3.590 2.544 2.241 2.705 . 0 0 "[ . 1 . 2]" 1
1513 1 55 VAL MG1 1 59 LYS HG3 . . 4.120 2.618 2.306 2.875 . 0 0 "[ . 1 . 2]" 1
1514 1 55 VAL MG2 1 56 TRP H . . 4.030 3.735 3.641 3.839 . 0 0 "[ . 1 . 2]" 1
1515 1 55 VAL MG2 1 59 LYS QE . . 5.340 4.341 3.943 4.721 . 0 0 "[ . 1 . 2]" 1
1516 1 56 TRP H 1 56 TRP HB2 . . 3.090 2.362 2.325 2.447 . 0 0 "[ . 1 . 2]" 1
1517 1 56 TRP H 1 56 TRP HB3 . . 3.770 3.572 3.563 3.587 . 0 0 "[ . 1 . 2]" 1
1518 1 56 TRP H 1 56 TRP HE3 . . 4.900 4.882 4.764 4.901 0.001 19 0 "[ . 1 . 2]" 1
1519 1 56 TRP H 1 57 ALA H . . 3.140 2.806 2.777 2.834 . 0 0 "[ . 1 . 2]" 1
1520 1 56 TRP H 1 57 ALA MB . . 4.520 4.459 4.353 4.511 . 0 0 "[ . 1 . 2]" 1
1521 1 56 TRP H 1 58 ASN H . . 4.430 4.056 3.999 4.121 . 0 0 "[ . 1 . 2]" 1
1522 1 56 TRP H 1 59 LYS H . . 5.140 4.796 4.725 4.856 . 0 0 "[ . 1 . 2]" 1
1523 1 56 TRP HA 1 56 TRP HD1 . . 4.760 4.366 4.345 4.433 . 0 0 "[ . 1 . 2]" 1
1524 1 56 TRP HA 1 56 TRP HE3 . . 3.380 2.488 2.371 2.634 . 0 0 "[ . 1 . 2]" 1
1525 1 56 TRP HA 1 56 TRP HZ3 . . 4.880 4.619 4.521 4.764 . 0 0 "[ . 1 . 2]" 1
1526 1 56 TRP HA 1 58 ASN H . . 4.560 3.905 3.807 4.087 . 0 0 "[ . 1 . 2]" 1
1527 1 56 TRP HA 1 59 LYS H . . 3.540 3.250 3.173 3.407 . 0 0 "[ . 1 . 2]" 1
1528 1 56 TRP HA 1 59 LYS HB2 . . 3.540 2.819 2.712 3.030 . 0 0 "[ . 1 . 2]" 1
1529 1 56 TRP HA 1 59 LYS HB3 . . 4.370 4.296 4.188 4.370 . 0 0 "[ . 1 . 2]" 1
1530 1 56 TRP HA 1 59 LYS HD2 . . 4.220 2.189 2.001 2.793 . 0 0 "[ . 1 . 2]" 1
1531 1 56 TRP HA 1 59 LYS HD3 . . 4.220 3.657 3.373 4.224 0.004 18 0 "[ . 1 . 2]" 1
1532 1 56 TRP HA 1 59 LYS HE2 . . 5.060 4.443 3.748 5.033 . 0 0 "[ . 1 . 2]" 1
1533 1 56 TRP HA 1 59 LYS QE . . 4.410 3.757 2.481 4.115 . 0 0 "[ . 1 . 2]" 1
1534 1 56 TRP HA 1 59 LYS HE3 . . 5.060 4.143 2.517 4.516 . 0 0 "[ . 1 . 2]" 1
1535 1 56 TRP HA 1 59 LYS HG2 . . 4.770 4.255 3.791 4.430 . 0 0 "[ . 1 . 2]" 1
1536 1 56 TRP HA 1 59 LYS QG . . 3.980 2.749 2.056 3.046 . 0 0 "[ . 1 . 2]" 1
1537 1 56 TRP HA 1 59 LYS HG3 . . 4.770 2.786 2.064 3.103 . 0 0 "[ . 1 . 2]" 1
1538 1 56 TRP HA 1 60 ALA H . . 4.900 4.254 4.095 4.547 . 0 0 "[ . 1 . 2]" 1
1539 1 56 TRP HB2 1 56 TRP HD1 . . 3.640 2.554 2.548 2.570 . 0 0 "[ . 1 . 2]" 1
1540 1 56 TRP HB2 1 56 TRP HE1 . . 5.110 4.752 4.751 4.758 . 0 0 "[ . 1 . 2]" 1
1541 1 56 TRP HB2 1 57 ALA H . . 3.440 2.785 2.696 2.876 . 0 0 "[ . 1 . 2]" 1
1542 1 56 TRP HB2 1 57 ALA HA . . 5.500 4.548 4.436 4.632 . 0 0 "[ . 1 . 2]" 1
1543 1 56 TRP HB3 1 56 TRP HE3 . . 3.680 2.876 2.790 2.932 . 0 0 "[ . 1 . 2]" 1
1544 1 56 TRP HB3 1 57 ALA H . . 3.750 3.530 3.444 3.670 . 0 0 "[ . 1 . 2]" 1
1545 1 56 TRP HE3 1 59 LYS HB2 . . 4.010 3.077 2.923 3.273 . 0 0 "[ . 1 . 2]" 1
1546 1 56 TRP HE3 1 59 LYS HB3 . . 4.490 4.137 3.961 4.364 . 0 0 "[ . 1 . 2]" 1
1547 1 56 TRP HE3 1 59 LYS HD2 . . 4.340 2.635 2.212 2.880 . 0 0 "[ . 1 . 2]" 1
1548 1 56 TRP HE3 1 59 LYS HD3 . . 4.340 3.257 2.882 4.202 . 0 0 "[ . 1 . 2]" 1
1549 1 56 TRP HE3 1 59 LYS HE2 . . 5.300 5.079 4.556 5.295 . 0 0 "[ . 1 . 2]" 1
1550 1 56 TRP HE3 1 59 LYS QE . . 4.620 4.316 3.411 4.616 . 0 0 "[ . 1 . 2]" 1
1551 1 56 TRP HE3 1 59 LYS HE3 . . 5.300 4.738 3.487 5.287 . 0 0 "[ . 1 . 2]" 1
1552 1 56 TRP HZ3 1 59 LYS HD2 . . 4.310 3.548 2.606 3.885 . 0 0 "[ . 1 . 2]" 1
1553 1 56 TRP HZ3 1 59 LYS HD3 . . 4.310 3.176 2.812 3.987 . 0 0 "[ . 1 . 2]" 1
1554 1 56 TRP HZ3 1 59 LYS QE . . 4.520 4.271 3.949 4.509 . 0 0 "[ . 1 . 2]" 1
1555 1 57 ALA H 1 57 ALA MB . . 2.750 2.192 2.033 2.249 . 0 0 "[ . 1 . 2]" 1
1556 1 57 ALA H 1 58 ASN H . . 3.040 2.559 2.471 2.616 . 0 0 "[ . 1 . 2]" 1
1557 1 57 ALA H 1 58 ASN HA . . 5.500 5.181 5.115 5.230 . 0 0 "[ . 1 . 2]" 1
1558 1 57 ALA H 1 58 ASN HB2 . . 4.620 4.521 4.424 4.590 . 0 0 "[ . 1 . 2]" 1
1559 1 57 ALA H 1 58 ASN HD21 . . 4.950 4.759 4.359 4.928 . 0 0 "[ . 1 . 2]" 1
1560 1 57 ALA H 1 60 ALA MB . . 5.500 5.311 5.148 5.503 0.003 18 0 "[ . 1 . 2]" 1
1561 1 57 ALA HA 1 60 ALA H . . 3.980 3.909 3.726 3.979 . 0 0 "[ . 1 . 2]" 1
1562 1 57 ALA HA 1 60 ALA MB . . 3.420 3.305 3.156 3.396 . 0 0 "[ . 1 . 2]" 1
1563 1 57 ALA MB 1 58 ASN H . . 3.130 2.941 2.839 3.052 . 0 0 "[ . 1 . 2]" 1
1564 1 57 ALA MB 1 58 ASN HA . . 4.160 3.936 3.845 3.979 . 0 0 "[ . 1 . 2]" 1
1565 1 57 ALA MB 1 58 ASN HB3 . . 5.500 5.394 5.344 5.447 . 0 0 "[ . 1 . 2]" 1
1566 1 57 ALA MB 1 58 ASN HD21 . . 4.870 4.127 3.607 4.490 . 0 0 "[ . 1 . 2]" 1
1567 1 57 ALA MB 1 58 ASN HD22 . . 5.480 4.447 4.245 4.559 . 0 0 "[ . 1 . 2]" 1
1568 1 57 ALA MB 1 59 LYS H . . 4.630 4.545 4.440 4.627 . 0 0 "[ . 1 . 2]" 1
1569 1 57 ALA MB 1 60 ALA H . . 5.380 5.087 4.928 5.183 . 0 0 "[ . 1 . 2]" 1
1570 1 58 ASN H 1 58 ASN HB2 . . 2.990 2.243 2.218 2.279 . 0 0 "[ . 1 . 2]" 1
1571 1 58 ASN H 1 58 ASN HB3 . . 3.560 3.524 3.500 3.557 . 0 0 "[ . 1 . 2]" 1
1572 1 58 ASN H 1 58 ASN HD21 . . 4.220 3.255 2.906 3.443 . 0 0 "[ . 1 . 2]" 1
1573 1 58 ASN H 1 58 ASN HD22 . . 4.790 4.445 4.228 4.557 . 0 0 "[ . 1 . 2]" 1
1574 1 58 ASN H 1 59 LYS H . . 3.150 2.267 2.225 2.327 . 0 0 "[ . 1 . 2]" 1
1575 1 58 ASN H 1 59 LYS HA . . 4.950 4.911 4.868 4.949 . 0 0 "[ . 1 . 2]" 1
1576 1 58 ASN H 1 59 LYS QG . . 4.980 3.708 3.613 3.845 . 0 0 "[ . 1 . 2]" 1
1577 1 58 ASN H 1 60 ALA H . . 4.600 4.253 4.162 4.379 . 0 0 "[ . 1 . 2]" 1
1578 1 58 ASN H 1 60 ALA MB . . 5.060 5.028 4.876 5.065 0.005 18 0 "[ . 1 . 2]" 1
1579 1 58 ASN H 1 61 LYS H . . 5.310 4.871 4.688 5.091 . 0 0 "[ . 1 . 2]" 1
1580 1 58 ASN HA 1 58 ASN HD21 . . 4.910 4.049 3.744 4.203 . 0 0 "[ . 1 . 2]" 1
1581 1 58 ASN HA 1 58 ASN HD22 . . 5.230 4.317 4.136 4.421 . 0 0 "[ . 1 . 2]" 1
1582 1 58 ASN HA 1 60 ALA H . . 4.850 4.662 4.473 4.837 . 0 0 "[ . 1 . 2]" 1
1583 1 58 ASN HA 1 61 LYS H . . 3.840 3.542 3.322 3.777 . 0 0 "[ . 1 . 2]" 1
1584 1 58 ASN HA 1 61 LYS QB . . 3.760 3.011 2.279 3.623 . 0 0 "[ . 1 . 2]" 1
1585 1 58 ASN HA 1 61 LYS HD2 . . 4.220 2.797 2.002 4.197 . 0 0 "[ . 1 . 2]" 1
1586 1 58 ASN HA 1 61 LYS QD . . 3.650 2.348 1.829 3.065 . 0 0 "[ . 1 . 2]" 1
1587 1 58 ASN HA 1 61 LYS HD3 . . 4.220 3.046 2.008 4.219 . 0 0 "[ . 1 . 2]" 1
1588 1 58 ASN HA 1 61 LYS QE . . 4.580 3.847 1.991 4.540 . 0 0 "[ . 1 . 2]" 1
1589 1 58 ASN HA 1 61 LYS HG2 . . 4.830 3.815 2.006 4.673 . 0 0 "[ . 1 . 2]" 1
1590 1 58 ASN HA 1 61 LYS QG . . 4.130 2.586 1.785 3.620 . 0 0 "[ . 1 . 2]" 1
1591 1 58 ASN HA 1 61 LYS HG3 . . 4.830 2.661 1.999 3.770 . 0 0 "[ . 1 . 2]" 1
1592 1 58 ASN HA 1 62 GLY H . . 5.500 5.044 3.883 5.501 0.001 19 0 "[ . 1 . 2]" 1
1593 1 58 ASN HB2 1 59 LYS H . . 3.570 3.113 2.979 3.242 . 0 0 "[ . 1 . 2]" 1
1594 1 58 ASN HB2 1 59 LYS HA . . 4.940 4.702 4.573 4.799 . 0 0 "[ . 1 . 2]" 1
1595 1 58 ASN HB2 1 59 LYS QG . . 4.000 3.718 3.610 3.866 . 0 0 "[ . 1 . 2]" 1
1596 1 58 ASN HB3 1 59 LYS H . . 3.770 3.686 3.566 3.770 . 0 0 "[ . 1 . 2]" 1
1597 1 58 ASN HB3 1 59 LYS HA . . 5.110 4.242 4.178 4.304 . 0 0 "[ . 1 . 2]" 1
1598 1 58 ASN HB3 1 61 LYS QB . . 4.560 4.323 4.082 4.559 . 0 0 "[ . 1 . 2]" 1
1599 1 58 ASN HB3 1 61 LYS QD . . 5.340 4.120 2.843 5.278 . 0 0 "[ . 1 . 2]" 1
1600 1 59 LYS H 1 59 LYS HB2 . . 3.080 2.471 2.414 2.540 . 0 0 "[ . 1 . 2]" 1
1601 1 59 LYS H 1 59 LYS HB3 . . 3.600 3.595 3.584 3.603 0.003 6 0 "[ . 1 . 2]" 1
1602 1 59 LYS H 1 59 LYS HD2 . . 4.970 3.990 3.765 4.365 . 0 0 "[ . 1 . 2]" 1
1603 1 59 LYS H 1 59 LYS QD . . 4.130 3.766 3.571 4.056 . 0 0 "[ . 1 . 2]" 1
1604 1 59 LYS H 1 59 LYS HD3 . . 4.970 4.626 4.435 4.872 . 0 0 "[ . 1 . 2]" 1
1605 1 59 LYS H 1 59 LYS HG2 . . 3.910 3.485 3.039 3.669 . 0 0 "[ . 1 . 2]" 1
1606 1 59 LYS H 1 59 LYS QG . . 3.230 2.255 2.146 2.357 . 0 0 "[ . 1 . 2]" 1
1607 1 59 LYS H 1 59 LYS HG3 . . 3.910 2.284 2.173 2.389 . 0 0 "[ . 1 . 2]" 1
1608 1 59 LYS H 1 60 ALA H . . 3.180 2.654 2.530 2.762 . 0 0 "[ . 1 . 2]" 1
1609 1 59 LYS H 1 60 ALA MB . . 4.390 4.200 4.100 4.339 . 0 0 "[ . 1 . 2]" 1
1610 1 59 LYS H 1 61 LYS H . . 4.350 3.833 3.719 4.003 . 0 0 "[ . 1 . 2]" 1
1611 1 59 LYS HA 1 59 LYS HD2 . . 4.820 4.747 4.566 4.814 . 0 0 "[ . 1 . 2]" 1
1612 1 59 LYS HA 1 59 LYS QD . . 4.170 4.025 3.804 4.094 . 0 0 "[ . 1 . 2]" 1
1613 1 59 LYS HA 1 59 LYS HD3 . . 4.820 4.351 4.046 4.447 . 0 0 "[ . 1 . 2]" 1
1614 1 59 LYS HA 1 59 LYS QE . . 5.100 4.700 4.432 4.969 . 0 0 "[ . 1 . 2]" 1
1615 1 59 LYS HA 1 59 LYS HG2 . . 3.750 2.573 2.460 2.670 . 0 0 "[ . 1 . 2]" 1
1616 1 59 LYS HA 1 59 LYS QG . . 3.160 2.443 2.393 2.491 . 0 0 "[ . 1 . 2]" 1
1617 1 59 LYS HA 1 59 LYS HG3 . . 3.750 3.063 2.908 3.355 . 0 0 "[ . 1 . 2]" 1
1618 1 59 LYS HA 1 61 LYS H . . 4.350 4.044 3.659 4.240 . 0 0 "[ . 1 . 2]" 1
1619 1 59 LYS HB2 1 59 LYS HD2 . . 3.940 2.709 2.419 2.810 . 0 0 "[ . 1 . 2]" 1
1620 1 59 LYS HB2 1 59 LYS QD . . 3.350 2.424 2.355 2.569 . 0 0 "[ . 1 . 2]" 1
1621 1 59 LYS HB2 1 59 LYS HD3 . . 3.940 2.790 2.554 3.369 . 0 0 "[ . 1 . 2]" 1
1622 1 59 LYS HB2 1 59 LYS HE2 . . 5.140 4.544 4.401 4.999 . 0 0 "[ . 1 . 2]" 1
1623 1 59 LYS HB2 1 59 LYS HE3 . . 5.140 4.604 4.018 4.828 . 0 0 "[ . 1 . 2]" 1
1624 1 59 LYS HB2 1 60 ALA H . . 3.530 2.397 2.313 2.518 . 0 0 "[ . 1 . 2]" 1
1625 1 59 LYS HB2 1 60 ALA HA . . 4.720 4.252 4.156 4.343 . 0 0 "[ . 1 . 2]" 1
1626 1 59 LYS HB2 1 61 LYS H . . 4.740 4.705 4.559 4.742 0.002 18 0 "[ . 1 . 2]" 1
1627 1 59 LYS HB3 1 59 LYS HD2 . . 4.010 3.294 2.719 3.505 . 0 0 "[ . 1 . 2]" 1
1628 1 59 LYS HB3 1 59 LYS QD . . 3.200 2.349 2.263 2.420 . 0 0 "[ . 1 . 2]" 1
1629 1 59 LYS HB3 1 59 LYS HD3 . . 4.010 2.418 2.330 2.688 . 0 0 "[ . 1 . 2]" 1
1630 1 59 LYS HB3 1 59 LYS HE2 . . 5.170 4.270 3.850 4.606 . 0 0 "[ . 1 . 2]" 1
1631 1 59 LYS HB3 1 59 LYS QE . . 4.450 3.905 3.599 4.135 . 0 0 "[ . 1 . 2]" 1
1632 1 59 LYS HB3 1 59 LYS HE3 . . 5.170 4.546 4.301 4.772 . 0 0 "[ . 1 . 2]" 1
1633 1 59 LYS HB3 1 60 ALA H . . 3.610 3.457 3.303 3.547 . 0 0 "[ . 1 . 2]" 1
1634 1 59 LYS HB3 1 60 ALA HA . . 4.390 4.346 4.252 4.395 0.005 18 0 "[ . 1 . 2]" 1
1635 1 59 LYS QE 1 59 LYS QG . . 2.940 2.226 2.048 2.413 . 0 0 "[ . 1 . 2]" 1
1636 1 59 LYS HE2 1 59 LYS HG2 . . 3.880 2.687 2.167 3.520 . 0 0 "[ . 1 . 2]" 1
1637 1 59 LYS HE2 1 59 LYS HG3 . . 3.880 3.088 2.472 3.746 . 0 0 "[ . 1 . 2]" 1
1638 1 59 LYS HE3 1 59 LYS HG2 . . 3.880 3.093 2.348 3.659 . 0 0 "[ . 1 . 2]" 1
1639 1 59 LYS HE3 1 59 LYS HG3 . . 3.880 3.213 2.652 3.863 . 0 0 "[ . 1 . 2]" 1
1640 1 60 ALA H 1 60 ALA MB . . 2.790 2.090 2.045 2.225 . 0 0 "[ . 1 . 2]" 1
1641 1 60 ALA H 1 61 LYS H . . 3.170 2.675 2.535 2.800 . 0 0 "[ . 1 . 2]" 1
1642 1 60 ALA H 1 61 LYS QG . . 5.340 4.446 3.900 4.809 . 0 0 "[ . 1 . 2]" 1
1643 1 60 ALA MB 1 61 LYS H . . 3.260 2.896 2.816 3.046 . 0 0 "[ . 1 . 2]" 1
1644 1 60 ALA MB 1 61 LYS HA . . 4.290 3.844 3.797 3.907 . 0 0 "[ . 1 . 2]" 1
1645 1 60 ALA MB 1 61 LYS QG . . 5.030 3.933 3.584 4.236 . 0 0 "[ . 1 . 2]" 1
1646 1 61 LYS H 1 61 LYS QB . . 2.820 2.350 2.174 2.603 . 0 0 "[ . 1 . 2]" 1
1647 1 61 LYS H 1 61 LYS QD . . 4.220 3.860 3.410 4.220 0.000 14 0 "[ . 1 . 2]" 1
1648 1 61 LYS H 1 61 LYS HG2 . . 4.010 3.394 1.924 3.981 . 0 0 "[ . 1 . 2]" 1
1649 1 61 LYS H 1 61 LYS QG . . 3.370 2.439 1.913 2.786 . 0 0 "[ . 1 . 2]" 1
1650 1 61 LYS H 1 61 LYS HG3 . . 4.010 2.693 2.027 3.385 . 0 0 "[ . 1 . 2]" 1
1651 1 61 LYS H 1 62 GLY H . . 3.390 3.009 2.764 3.334 . 0 0 "[ . 1 . 2]" 1
1652 1 61 LYS HA 1 61 LYS QD . . 4.390 3.784 2.145 4.214 . 0 0 "[ . 1 . 2]" 1
1653 1 61 LYS HA 1 61 LYS HG2 . . 4.020 2.504 2.251 2.909 . 0 0 "[ . 1 . 2]" 1
1654 1 61 LYS HA 1 61 LYS QG . . 3.420 2.374 2.204 2.822 . 0 0 "[ . 1 . 2]" 1
1655 1 61 LYS HA 1 61 LYS HG3 . . 4.020 3.034 2.661 3.803 . 0 0 "[ . 1 . 2]" 1
1656 1 61 LYS HA 1 63 GLU H . . 4.880 4.581 3.662 4.879 . 0 0 "[ . 1 . 2]" 1
1657 1 61 LYS QB 1 61 LYS QD . . 3.150 2.200 2.042 2.536 . 0 0 "[ . 1 . 2]" 1
1658 1 61 LYS QB 1 62 GLY H . . 3.760 2.298 1.994 2.504 . 0 0 "[ . 1 . 2]" 1
1659 1 61 LYS QB 1 62 GLY QA . . 3.810 3.668 3.435 3.808 . 0 0 "[ . 1 . 2]" 1
1660 1 61 LYS QB 1 63 GLU H . . 4.200 3.322 2.738 4.201 0.001 20 0 "[ . 1 . 2]" 1
1661 1 61 LYS QG 1 62 GLY H . . 4.290 4.098 3.817 4.267 . 0 0 "[ . 1 . 2]" 1
1662 1 61 LYS HG2 1 62 GLY H . . 5.150 4.747 4.207 4.994 . 0 0 "[ . 1 . 2]" 1
1663 1 61 LYS HG3 1 62 GLY H . . 5.150 4.499 4.132 4.677 . 0 0 "[ . 1 . 2]" 1
1664 1 62 GLY H 1 63 GLU H . . 3.930 2.888 2.425 3.654 . 0 0 "[ . 1 . 2]" 1
1665 1 62 GLY QA 1 63 GLU H . . 3.430 2.678 2.391 2.898 . 0 0 "[ . 1 . 2]" 1
1666 1 63 GLU H 1 63 GLU HB2 . . 4.000 2.818 2.175 3.948 . 0 0 "[ . 1 . 2]" 1
1667 1 63 GLU H 1 63 GLU HB3 . . 4.000 3.243 2.285 4.002 0.002 4 0 "[ . 1 . 2]" 1
1668 1 63 GLU H 1 63 GLU HG2 . . 4.580 3.317 2.008 4.556 . 0 0 "[ . 1 . 2]" 1
1669 1 63 GLU H 1 63 GLU QG . . 3.850 2.942 1.992 3.852 0.002 15 0 "[ . 1 . 2]" 1
1670 1 63 GLU H 1 63 GLU HG3 . . 4.580 3.726 2.698 4.420 . 0 0 "[ . 1 . 2]" 1
1671 1 63 GLU HA 1 63 GLU HG2 . . 3.960 3.156 2.272 3.916 . 0 0 "[ . 1 . 2]" 1
1672 1 63 GLU HA 1 63 GLU QG . . 3.440 2.778 2.248 3.339 . 0 0 "[ . 1 . 2]" 1
1673 1 63 GLU HA 1 63 GLU HG3 . . 3.960 3.336 2.458 3.865 . 0 0 "[ . 1 . 2]" 1
1674 1 63 GLU HA 1 64 THR H . . 3.460 2.572 2.140 3.476 0.016 20 0 "[ . 1 . 2]" 1
1675 1 63 GLU QB 1 63 GLU QG . . 2.330 2.031 1.965 2.086 . 0 0 "[ . 1 . 2]" 1
1676 1 63 GLU QB 1 64 THR H . . 4.420 3.424 2.264 4.035 . 0 0 "[ . 1 . 2]" 1
1677 1 63 GLU HB2 1 64 THR H . . 5.090 4.045 2.284 4.615 . 0 0 "[ . 1 . 2]" 1
1678 1 63 GLU HB3 1 64 THR H . . 5.090 3.879 2.751 4.597 . 0 0 "[ . 1 . 2]" 1
1679 1 63 GLU QG 1 64 THR H . . 5.080 4.078 2.273 4.832 . 0 0 "[ . 1 . 2]" 1
1680 1 64 THR H 1 64 THR MG . . 4.710 2.913 1.954 3.958 . 0 0 "[ . 1 . 2]" 1
1681 1 64 THR HA 1 64 THR MG . . 3.470 2.576 2.214 3.203 . 0 0 "[ . 1 . 2]" 1
1682 1 64 THR HA 1 65 ALA MB . . 5.150 4.103 3.791 5.024 . 0 0 "[ . 1 . 2]" 1
1683 1 64 THR HB 1 65 ALA H . . 4.850 3.639 2.447 4.350 . 0 0 "[ . 1 . 2]" 1
1684 1 67 GLU HB2 1 68 GLY H . . 5.500 3.601 2.228 4.344 . 0 0 "[ . 1 . 2]" 1
1685 1 67 GLU HB3 1 68 GLY H . . 5.500 3.755 2.257 4.460 . 0 0 "[ . 1 . 2]" 1
1686 1 69 THR HA 1 69 THR MG . . 3.270 2.521 2.153 3.207 . 0 0 "[ . 1 . 2]" 1
1687 1 69 THR HB 1 70 GLU H . . 4.990 3.441 2.008 4.629 . 0 0 "[ . 1 . 2]" 1
1688 1 70 GLU H 1 70 GLU QG . . 5.120 3.066 1.929 4.231 . 0 0 "[ . 1 . 2]" 1
1689 1 70 GLU HA 1 70 GLU QG . . 3.520 2.781 2.158 3.472 . 0 0 "[ . 1 . 2]" 1
1690 1 71 ALA HA 1 72 LYS H . . 3.550 2.422 2.144 3.549 . 0 0 "[ . 1 . 2]" 1
1691 1 71 ALA HA 1 72 LYS QB . . 5.030 4.248 3.892 4.709 . 0 0 "[ . 1 . 2]" 1
1692 1 71 ALA MB 1 72 LYS H . . 4.400 2.853 2.267 3.703 . 0 0 "[ . 1 . 2]" 1
1693 1 72 LYS H 1 72 LYS QB . . 3.680 2.583 2.180 3.117 . 0 0 "[ . 1 . 2]" 1
1694 1 72 LYS H 1 72 LYS QG . . 4.650 3.382 1.898 4.391 . 0 0 "[ . 1 . 2]" 1
1695 1 72 LYS HA 1 72 LYS QD . . 4.270 3.320 2.005 4.270 . 0 0 "[ . 1 . 2]" 1
1696 1 72 LYS HA 1 72 LYS HG2 . . 4.190 3.159 2.268 4.191 0.001 9 0 "[ . 1 . 2]" 1
1697 1 72 LYS HA 1 72 LYS HG3 . . 4.190 3.171 2.289 3.899 . 0 0 "[ . 1 . 2]" 1
1698 1 72 LYS QG 1 73 LYS H . . 4.660 3.454 2.293 4.498 . 0 0 "[ . 1 . 2]" 1
1699 1 77 GLY QA 1 78 PRO QD . . 3.240 1.976 1.909 2.083 . 0 0 "[ . 1 . 2]" 1
1700 1 77 GLY QA 1 78 PRO QG . . 4.820 3.721 3.659 3.846 . 0 0 "[ . 1 . 2]" 1
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