Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
465522 | 2kvt RC | 16791 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2kvt
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 1226
_Distance_constraint_stats_list.Viol_count 251
_Distance_constraint_stats_list.Viol_total 151.977
_Distance_constraint_stats_list.Viol_max 0.119
_Distance_constraint_stats_list.Viol_rms 0.0039
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0303
_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 4 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ARG 0.178 0.062 18 0 "[ . 1 . 2]"
1 10 GLU 0.128 0.062 18 0 "[ . 1 . 2]"
1 11 ALA 0.190 0.080 18 0 "[ . 1 . 2]"
1 12 TYR 1.048 0.119 15 0 "[ . 1 . 2]"
1 13 ILE 0.353 0.052 2 0 "[ . 1 . 2]"
1 14 VAL 0.082 0.022 16 0 "[ . 1 . 2]"
1 15 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ILE 0.722 0.080 6 0 "[ . 1 . 2]"
1 17 GLU 0.203 0.053 14 0 "[ . 1 . 2]"
1 18 LYS 0.728 0.081 9 0 "[ . 1 . 2]"
1 19 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 LYS 0.005 0.005 7 0 "[ . 1 . 2]"
1 21 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 GLN 0.722 0.098 1 0 "[ . 1 . 2]"
1 24 THR 1.204 0.098 1 0 "[ . 1 . 2]"
1 25 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 TRP 0.956 0.063 5 0 "[ . 1 . 2]"
1 28 TYR 0.056 0.046 3 0 "[ . 1 . 2]"
1 29 GLN 0.414 0.080 6 0 "[ . 1 . 2]"
1 30 LEU 0.157 0.029 18 0 "[ . 1 . 2]"
1 31 ARG 0.257 0.061 11 0 "[ . 1 . 2]"
1 32 ALA 0.658 0.113 9 0 "[ . 1 . 2]"
1 33 ASP 0.137 0.074 9 0 "[ . 1 . 2]"
1 34 HIS 0.013 0.013 17 0 "[ . 1 . 2]"
1 35 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 LYS 0.409 0.089 13 0 "[ . 1 . 2]"
1 37 PRO 0.467 0.089 13 0 "[ . 1 . 2]"
1 38 ASP 0.049 0.032 17 0 "[ . 1 . 2]"
1 39 SER 0.060 0.026 5 0 "[ . 1 . 2]"
1 40 LEU 0.025 0.025 17 0 "[ . 1 . 2]"
1 41 ILE 0.299 0.040 15 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 GLU 0.248 0.050 20 0 "[ . 1 . 2]"
1 44 HIS 0.083 0.037 4 0 "[ . 1 . 2]"
1 45 PRO 0.302 0.070 20 0 "[ . 1 . 2]"
1 46 THR 0.378 0.070 20 0 "[ . 1 . 2]"
1 47 ALA 0.017 0.010 5 0 "[ . 1 . 2]"
1 48 GLN 0.347 0.054 8 0 "[ . 1 . 2]"
1 49 GLU 0.364 0.065 13 0 "[ . 1 . 2]"
1 50 ALA 0.224 0.065 13 0 "[ . 1 . 2]"
1 51 MET 0.371 0.054 8 0 "[ . 1 . 2]"
1 52 ASP 0.244 0.045 2 0 "[ . 1 . 2]"
1 53 ALA 0.041 0.041 11 0 "[ . 1 . 2]"
1 54 LYS 0.849 0.119 15 0 "[ . 1 . 2]"
1 55 LYS 0.062 0.028 8 0 "[ . 1 . 2]"
1 56 ARG 0.278 0.090 20 0 "[ . 1 . 2]"
1 57 TYR 0.199 0.046 8 0 "[ . 1 . 2]"
1 58 GLU 0.016 0.010 14 0 "[ . 1 . 2]"
1 59 ASP 0.237 0.090 20 0 "[ . 1 . 2]"
1 60 PRO 0.022 0.022 9 0 "[ . 1 . 2]"
1 61 ASP 0.087 0.046 8 0 "[ . 1 . 2]"
1 62 LYS 0.502 0.096 6 0 "[ . 1 . 2]"
1 63 GLU 0.230 0.096 6 0 "[ . 1 . 2]"
1 64 LEU 0.146 0.057 17 0 "[ . 1 . 2]"
1 65 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 8 PRO HA 1 9 ARG H 3.460 . 3.810 2.419 2.158 3.352 . 0 0 "[ . 1 . 2]" 1
2 1 9 ARG HA 1 10 GLU H 3.240 . 3.560 2.295 2.163 3.229 . 0 0 "[ . 1 . 2]" 1
3 1 9 ARG HB2 1 10 GLU H 4.860 . 5.350 3.994 2.771 4.636 . 0 0 "[ . 1 . 2]" 1
4 1 9 ARG HB3 1 10 GLU H 4.860 . 5.350 3.952 2.601 4.569 . 0 0 "[ . 1 . 2]" 1
5 1 10 GLU H 1 10 GLU HB2 3.930 . 4.320 3.162 2.332 3.940 . 0 0 "[ . 1 . 2]" 1
6 1 10 GLU H 1 10 GLU HB3 3.930 . 4.320 3.228 2.639 3.824 . 0 0 "[ . 1 . 2]" 1
7 1 10 GLU HA 1 11 ALA H 3.190 . 3.510 2.242 2.151 2.440 . 0 0 "[ . 1 . 2]" 1
8 1 10 GLU HB3 1 11 ALA H 4.600 . 5.060 3.686 2.490 4.423 . 0 0 "[ . 1 . 2]" 1
9 1 10 GLU HB2 1 11 ALA H 4.600 . 5.060 3.765 2.431 4.428 . 0 0 "[ . 1 . 2]" 1
10 1 11 ALA HA 1 12 TYR H 2.890 . 3.180 2.423 2.260 2.672 . 0 0 "[ . 1 . 2]" 1
11 1 11 ALA MB 1 12 TYR H 2.990 . 3.290 2.421 1.994 2.812 . 0 0 "[ . 1 . 2]" 1
12 1 12 TYR H 1 12 TYR HB3 4.070 . 4.480 3.412 3.309 3.502 . 0 0 "[ . 1 . 2]" 1
13 1 12 TYR H 1 12 TYR HB2 4.120 . 4.530 3.916 3.861 3.993 . 0 0 "[ . 1 . 2]" 1
14 1 12 TYR HA 1 13 ILE H 2.890 . 3.180 2.333 2.213 2.618 . 0 0 "[ . 1 . 2]" 1
15 1 12 TYR HB3 1 13 ILE H 3.760 . 4.140 3.839 3.536 4.016 . 0 0 "[ . 1 . 2]" 1
16 1 12 TYR HB2 1 13 ILE H 3.410 . 3.750 2.647 2.058 2.951 . 0 0 "[ . 1 . 2]" 1
17 1 13 ILE H 1 13 ILE HB 3.080 . 3.390 2.564 2.526 2.667 . 0 0 "[ . 1 . 2]" 1
18 1 13 ILE HA 1 14 VAL H 2.820 . 3.100 2.186 2.156 2.252 . 0 0 "[ . 1 . 2]" 1
19 1 13 ILE HB 1 14 VAL H 4.370 . 4.810 4.123 3.912 4.349 . 0 0 "[ . 1 . 2]" 1
20 1 14 VAL HA 1 15 THR H 2.660 . 2.930 2.200 2.168 2.269 . 0 0 "[ . 1 . 2]" 1
21 1 14 VAL H 1 14 VAL HB 3.710 . 4.080 2.642 2.559 2.743 . 0 0 "[ . 1 . 2]" 1
22 1 15 THR HA 1 16 ILE H 2.800 . 3.080 2.161 2.147 2.175 . 0 0 "[ . 1 . 2]" 1
23 1 15 THR HB 1 16 ILE H 3.440 . 3.780 3.483 3.226 3.637 . 0 0 "[ . 1 . 2]" 1
24 1 15 THR H 1 15 THR HB 3.850 . 4.230 3.693 3.647 3.745 . 0 0 "[ . 1 . 2]" 1
25 1 16 ILE HA 1 17 GLU H 2.700 . 2.970 2.483 2.314 2.572 . 0 0 "[ . 1 . 2]" 1
26 1 16 ILE HB 1 17 GLU H 3.180 . 3.500 2.286 2.147 2.606 . 0 0 "[ . 1 . 2]" 1
27 1 17 GLU HA 1 18 LYS H 2.870 . 3.160 2.175 2.126 2.274 . 0 0 "[ . 1 . 2]" 1
28 1 17 GLU H 1 17 GLU HB2 3.910 . 4.300 3.240 2.543 3.886 . 0 0 "[ . 1 . 2]" 1
29 1 18 LYS H 1 18 LYS HB3 3.910 . 4.300 3.772 3.696 3.862 . 0 0 "[ . 1 . 2]" 1
30 1 18 LYS H 1 18 LYS HB2 3.550 . 3.900 2.629 2.519 2.776 . 0 0 "[ . 1 . 2]" 1
31 1 19 GLY HA2 1 20 LYS H 3.080 . 3.390 3.056 2.711 3.123 . 0 0 "[ . 1 . 2]" 1
32 1 19 GLY HA3 1 20 LYS H 2.970 . 3.270 2.201 2.152 2.414 . 0 0 "[ . 1 . 2]" 1
33 1 23 GLN HA 1 24 THR H 3.310 . 3.640 2.368 2.290 2.544 . 0 0 "[ . 1 . 2]" 1
34 1 23 GLN HB2 1 24 THR H 4.630 . 5.090 4.489 4.445 4.531 . 0 0 "[ . 1 . 2]" 1
35 1 23 GLN HB3 1 24 THR H 4.630 . 5.090 4.204 4.100 4.357 . 0 0 "[ . 1 . 2]" 1
36 1 23 GLN H 1 23 GLN HG2 3.270 . 3.600 2.599 2.252 2.833 . 0 0 "[ . 1 . 2]" 1
37 1 25 VAL HA 1 26 THR H 2.610 . 2.870 2.189 2.160 2.289 . 0 0 "[ . 1 . 2]" 1
38 1 24 THR HB 1 25 VAL H 3.230 . 3.550 2.538 2.239 2.846 . 0 0 "[ . 1 . 2]" 1
39 1 24 THR HA 1 25 VAL H 2.710 . 2.980 2.316 2.207 2.432 . 0 0 "[ . 1 . 2]" 1
40 1 25 VAL H 1 25 VAL HB 3.330 . 3.660 2.634 2.570 2.725 . 0 0 "[ . 1 . 2]" 1
41 1 26 THR HB 1 27 TRP H 4.500 . 4.950 4.307 4.186 4.356 . 0 0 "[ . 1 . 2]" 1
42 1 26 THR H 1 26 THR HB 2.970 . 3.270 2.554 2.487 2.633 . 0 0 "[ . 1 . 2]" 1
43 1 27 TRP HA 1 28 TYR H 3.160 . 3.480 2.201 2.147 2.280 . 0 0 "[ . 1 . 2]" 1
44 1 27 TRP HB3 1 28 TYR H 3.670 . 4.040 3.069 2.751 3.254 . 0 0 "[ . 1 . 2]" 1
45 1 27 TRP H 1 27 TRP HB3 4.040 . 4.440 3.676 3.598 3.746 . 0 0 "[ . 1 . 2]" 1
46 1 27 TRP H 1 27 TRP HB2 3.650 . 4.020 2.471 2.341 2.627 . 0 0 "[ . 1 . 2]" 1
47 1 26 THR HA 1 27 TRP H 2.840 . 3.120 2.149 2.135 2.176 . 0 0 "[ . 1 . 2]" 1
48 1 28 TYR HB2 1 29 GLN H 4.490 . 4.940 4.358 4.328 4.381 . 0 0 "[ . 1 . 2]" 1
49 1 28 TYR HB3 1 29 GLN H 3.900 . 4.290 3.606 3.520 3.653 . 0 0 "[ . 1 . 2]" 1
50 1 28 TYR HA 1 29 GLN H 2.930 . 3.220 2.155 2.121 2.178 . 0 0 "[ . 1 . 2]" 1
51 1 28 TYR H 1 28 TYR HB3 4.060 . 4.470 3.680 3.637 3.745 . 0 0 "[ . 1 . 2]" 1
52 1 28 TYR H 1 28 TYR HB2 3.400 . 3.740 2.514 2.437 2.584 . 0 0 "[ . 1 . 2]" 1
53 1 29 GLN HA 1 30 LEU H 3.050 . 3.360 2.167 2.146 2.183 . 0 0 "[ . 1 . 2]" 1
54 1 29 GLN HB2 1 30 LEU H 4.470 . 4.920 4.320 4.147 4.427 . 0 0 "[ . 1 . 2]" 1
55 1 29 GLN HB3 1 30 LEU H 3.850 . 4.230 3.481 3.216 3.735 . 0 0 "[ . 1 . 2]" 1
56 1 15 THR HA 1 29 GLN H 3.930 . 4.320 3.569 2.999 3.762 . 0 0 "[ . 1 . 2]" 1
57 1 29 GLN H 1 29 GLN HB2 3.350 . 3.690 2.476 2.426 2.548 . 0 0 "[ . 1 . 2]" 1
58 1 29 GLN H 1 29 GLN HB3 3.940 . 4.330 3.662 3.633 3.692 . 0 0 "[ . 1 . 2]" 1
59 1 30 LEU HA 1 31 ARG H 3.170 . 3.490 2.172 2.156 2.196 . 0 0 "[ . 1 . 2]" 1
60 1 30 LEU HB3 1 31 ARG H 5.110 . 5.620 4.389 4.323 4.444 . 0 0 "[ . 1 . 2]" 1
61 1 14 VAL QG 1 31 ARG H 4.110 . 4.520 3.688 3.343 4.389 . 0 0 "[ . 1 . 2]" 1
62 1 30 LEU HG 1 31 ARG H 4.470 . 4.920 3.600 3.440 3.808 . 0 0 "[ . 1 . 2]" 1
63 1 30 LEU H 1 30 LEU HB3 3.390 . 3.730 2.475 2.433 2.521 . 0 0 "[ . 1 . 2]" 1
64 1 31 ARG HA 1 32 ALA H 3.450 . 3.790 2.367 2.228 2.502 . 0 0 "[ . 1 . 2]" 1
65 1 31 ARG HB2 1 32 ALA H 4.090 . 4.500 3.715 3.453 4.007 . 0 0 "[ . 1 . 2]" 1
66 1 31 ARG HB3 1 32 ALA H 4.090 . 4.500 2.601 2.267 3.079 . 0 0 "[ . 1 . 2]" 1
67 1 32 ALA HA 1 33 ASP H 3.480 . 3.830 2.330 2.213 2.599 . 0 0 "[ . 1 . 2]" 1
68 1 32 ALA MB 1 33 ASP H 3.530 . 3.880 2.598 2.140 2.916 . 0 0 "[ . 1 . 2]" 1
69 1 32 ALA H 1 32 ALA MB 3.470 . 3.820 2.537 2.394 2.675 . 0 0 "[ . 1 . 2]" 1
70 1 33 ASP H 1 33 ASP HB2 4.170 . 4.590 2.604 2.446 3.642 . 0 0 "[ . 1 . 2]" 1
71 1 33 ASP H 1 33 ASP HB3 4.170 . 4.590 3.129 2.480 3.686 . 0 0 "[ . 1 . 2]" 1
72 1 37 PRO HA 1 38 ASP H 3.570 . 3.930 3.486 3.279 3.598 . 0 0 "[ . 1 . 2]" 1
73 1 37 PRO HB2 1 38 ASP H 4.290 . 4.720 3.216 2.305 4.041 . 0 0 "[ . 1 . 2]" 1
74 1 38 ASP H 1 38 ASP HB3 4.170 . 4.590 3.393 2.511 3.679 . 0 0 "[ . 1 . 2]" 1
75 1 38 ASP H 1 38 ASP HB2 4.170 . 4.590 2.693 2.392 3.682 . 0 0 "[ . 1 . 2]" 1
76 1 39 SER HA 1 40 LEU H 2.920 . 3.210 2.210 2.146 2.303 . 0 0 "[ . 1 . 2]" 1
77 1 39 SER HB2 1 40 LEU H 4.480 . 4.930 4.267 3.561 4.544 . 0 0 "[ . 1 . 2]" 1
78 1 39 SER HB3 1 40 LEU H 4.480 . 4.930 4.239 3.752 4.547 . 0 0 "[ . 1 . 2]" 1
79 1 40 LEU HA 1 41 ILE H 3.330 . 3.660 2.164 2.138 2.190 . 0 0 "[ . 1 . 2]" 1
80 1 40 LEU HG 1 41 ILE H 3.850 . 4.230 3.625 3.230 3.949 . 0 0 "[ . 1 . 2]" 1
81 1 40 LEU H 1 40 LEU HB3 3.230 . 3.550 2.443 2.391 2.558 . 0 0 "[ . 1 . 2]" 1
82 1 40 LEU H 1 40 LEU HB2 3.230 . 3.550 2.746 2.565 3.048 . 0 0 "[ . 1 . 2]" 1
83 1 41 ILE HB 1 42 SER H 3.230 . 3.550 2.384 2.304 2.582 . 0 0 "[ . 1 . 2]" 1
84 1 41 ILE H 1 41 ILE HB 3.610 . 3.970 2.558 2.462 2.588 . 0 0 "[ . 1 . 2]" 1
85 1 42 SER HA 1 43 GLU H 3.200 . 3.520 2.290 2.250 2.385 . 0 0 "[ . 1 . 2]" 1
86 1 42 SER HB2 1 43 GLU H 3.940 . 4.330 3.672 2.563 3.962 . 0 0 "[ . 1 . 2]" 1
87 1 42 SER HB3 1 43 GLU H 3.940 . 4.330 3.721 2.679 4.028 . 0 0 "[ . 1 . 2]" 1
88 1 43 GLU HA 1 44 HIS H 3.020 . 3.320 2.211 2.170 2.275 . 0 0 "[ . 1 . 2]" 1
89 1 43 GLU HB2 1 44 HIS H 4.240 . 4.660 4.118 3.913 4.348 . 0 0 "[ . 1 . 2]" 1
90 1 43 GLU HB3 1 44 HIS H 4.240 . 4.660 3.170 2.784 3.516 . 0 0 "[ . 1 . 2]" 1
91 1 43 GLU H 1 43 GLU HB3 4.200 . 4.620 3.720 3.674 3.819 . 0 0 "[ . 1 . 2]" 1
92 1 43 GLU H 1 43 GLU HB2 4.200 . 4.620 2.571 2.479 2.697 . 0 0 "[ . 1 . 2]" 1
93 1 45 PRO HD3 1 46 THR H 4.390 . 4.830 3.924 3.785 4.018 . 0 0 "[ . 1 . 2]" 1
94 1 45 PRO HB2 1 46 THR H 4.350 . 4.790 3.545 2.446 3.932 . 0 0 "[ . 1 . 2]" 1
95 1 46 THR HA 1 47 ALA H 2.910 . 3.200 2.269 2.209 2.338 . 0 0 "[ . 1 . 2]" 1
96 1 46 THR HB 1 47 ALA H 3.160 . 3.480 2.764 2.497 2.941 . 0 0 "[ . 1 . 2]" 1
97 1 47 ALA H 1 47 ALA MB 2.840 . 3.120 2.242 2.224 2.254 . 0 0 "[ . 1 . 2]" 1
98 1 49 GLU H 1 49 GLU HB2 3.250 . 3.580 2.412 2.114 2.535 . 0 0 "[ . 1 . 2]" 1
99 1 48 GLN HB3 1 49 GLU H 3.630 . 3.990 2.479 2.263 2.662 . 0 0 "[ . 1 . 2]" 1
100 1 48 GLN H 1 48 GLN HB3 3.330 . 3.660 2.655 2.431 3.228 . 0 0 "[ . 1 . 2]" 1
101 1 48 GLN H 1 48 GLN HB2 3.180 . 3.500 2.425 2.091 2.617 . 0 0 "[ . 1 . 2]" 1
102 1 49 GLU HB3 1 50 ALA H 3.750 . 4.130 3.492 2.703 3.830 . 0 0 "[ . 1 . 2]" 1
103 1 49 GLU HB2 1 50 ALA H 3.620 . 3.980 2.744 2.394 3.546 . 0 0 "[ . 1 . 2]" 1
104 1 50 ALA MB 1 51 MET H 3.350 . 3.690 2.515 2.270 2.670 . 0 0 "[ . 1 . 2]" 1
105 1 50 ALA H 1 50 ALA MB 2.890 . 3.180 2.242 2.228 2.262 . 0 0 "[ . 1 . 2]" 1
106 1 49 GLU HA 1 52 ASP H 3.950 . 4.350 3.569 3.195 3.833 . 0 0 "[ . 1 . 2]" 1
107 1 51 MET HB2 1 52 ASP H 3.600 . 3.960 2.633 2.381 2.831 . 0 0 "[ . 1 . 2]" 1
108 1 51 MET HB3 1 52 ASP H 3.710 . 4.080 3.605 3.378 3.743 . 0 0 "[ . 1 . 2]" 1
109 1 51 MET H 1 51 MET HB2 3.280 . 3.610 2.457 2.364 2.566 . 0 0 "[ . 1 . 2]" 1
110 1 51 MET H 1 51 MET HB3 3.580 . 3.940 3.598 3.576 3.623 . 0 0 "[ . 1 . 2]" 1
111 1 52 ASP H 1 52 ASP HB2 3.310 . 3.640 2.429 2.227 2.574 . 0 0 "[ . 1 . 2]" 1
112 1 52 ASP H 1 52 ASP HB3 3.310 . 3.640 2.803 2.472 3.587 . 0 0 "[ . 1 . 2]" 1
113 1 51 MET HA 1 54 LYS H 3.840 . 4.220 3.337 3.007 3.550 . 0 0 "[ . 1 . 2]" 1
114 1 53 ALA MB 1 54 LYS H 3.290 . 3.620 2.594 2.445 2.722 . 0 0 "[ . 1 . 2]" 1
115 1 53 ALA H 1 53 ALA MB 2.770 . 3.050 2.243 2.228 2.260 . 0 0 "[ . 1 . 2]" 1
116 1 54 LYS H 1 54 LYS HB2 3.330 . 3.660 2.546 2.425 2.717 . 0 0 "[ . 1 . 2]" 1
117 1 54 LYS H 1 54 LYS HB3 3.330 . 3.660 2.480 2.308 2.625 . 0 0 "[ . 1 . 2]" 1
118 1 55 LYS H 1 56 ARG H 3.480 . 3.830 2.790 2.674 2.999 . 0 0 "[ . 1 . 2]" 1
119 1 57 TYR H 1 58 GLU H 3.730 . 4.100 2.597 2.472 2.713 . 0 0 "[ . 1 . 2]" 1
120 1 57 TYR HB3 1 58 GLU H 3.820 . 4.200 2.656 2.406 2.966 . 0 0 "[ . 1 . 2]" 1
121 1 57 TYR HB2 1 58 GLU H 4.240 . 4.660 3.950 3.827 4.161 . 0 0 "[ . 1 . 2]" 1
122 1 57 TYR H 1 57 TYR HB2 3.280 . 3.610 2.667 2.508 2.785 . 0 0 "[ . 1 . 2]" 1
123 1 57 TYR H 1 57 TYR HB3 3.350 . 3.690 2.457 2.371 2.549 . 0 0 "[ . 1 . 2]" 1
124 1 58 GLU HB3 1 59 ASP H 4.460 . 4.910 3.993 3.402 4.420 . 0 0 "[ . 1 . 2]" 1
125 1 58 GLU HB2 1 59 ASP H 4.530 . 4.980 3.110 2.392 3.835 . 0 0 "[ . 1 . 2]" 1
126 1 58 GLU H 1 58 GLU HB2 3.930 . 4.320 2.476 2.343 2.548 . 0 0 "[ . 1 . 2]" 1
127 1 58 GLU H 1 58 GLU HB3 3.630 . 3.990 3.614 3.586 3.666 . 0 0 "[ . 1 . 2]" 1
128 1 60 PRO HA 1 61 ASP H 3.460 . 3.810 2.838 2.149 3.613 . 0 0 "[ . 1 . 2]" 1
129 1 61 ASP H 1 62 LYS H 3.840 . 4.220 2.826 2.135 4.266 0.046 8 0 "[ . 1 . 2]" 1
130 1 61 ASP HB2 1 62 LYS H 4.950 . 5.440 3.987 2.724 4.536 . 0 0 "[ . 1 . 2]" 1
131 1 61 ASP HB3 1 62 LYS H 4.950 . 5.440 3.468 2.154 4.645 . 0 0 "[ . 1 . 2]" 1
132 1 61 ASP H 1 61 ASP HB3 3.810 . 4.190 2.979 2.415 3.761 . 0 0 "[ . 1 . 2]" 1
133 1 61 ASP H 1 61 ASP HB2 3.810 . 4.190 2.800 2.328 3.904 . 0 0 "[ . 1 . 2]" 1
134 1 62 LYS H 1 63 GLU H 4.620 . 5.080 4.141 2.481 4.636 . 0 0 "[ . 1 . 2]" 1
135 1 62 LYS HA 1 63 GLU H 3.500 . 3.850 2.425 2.146 3.592 . 0 0 "[ . 1 . 2]" 1
136 1 62 LYS HB2 1 63 GLU H 4.970 . 5.470 4.101 3.401 4.585 . 0 0 "[ . 1 . 2]" 1
137 1 62 LYS HB3 1 63 GLU H 4.970 . 5.470 3.803 2.002 4.468 . 0 0 "[ . 1 . 2]" 1
138 1 62 LYS H 1 62 LYS HB2 3.920 . 4.310 2.794 2.141 3.580 . 0 0 "[ . 1 . 2]" 1
139 1 62 LYS H 1 62 LYS HB3 3.920 . 4.310 2.915 2.449 3.744 . 0 0 "[ . 1 . 2]" 1
140 1 63 GLU HB2 1 64 LEU H 4.750 . 5.220 3.390 2.044 4.479 . 0 0 "[ . 1 . 2]" 1
141 1 63 GLU HB3 1 64 LEU H 4.750 . 5.220 3.484 1.869 4.478 . 0 0 "[ . 1 . 2]" 1
142 1 64 LEU HB2 1 65 GLU H 4.650 . 5.120 3.773 2.173 4.510 . 0 0 "[ . 1 . 2]" 1
143 1 64 LEU HG 1 65 GLU H 5.310 . 5.840 4.772 3.624 5.360 . 0 0 "[ . 1 . 2]" 1
144 1 64 LEU HB3 1 65 GLU H 4.650 . 5.120 3.752 2.021 4.605 . 0 0 "[ . 1 . 2]" 1
145 1 64 LEU H 1 64 LEU HG 4.040 . 4.440 3.109 2.172 3.908 . 0 0 "[ . 1 . 2]" 1
146 1 10 GLU H 1 32 ALA MB 4.940 . 5.430 4.337 3.594 5.466 0.036 6 0 "[ . 1 . 2]" 1
147 1 48 GLN HA 1 48 GLN HE21 4.770 . 5.250 2.852 2.535 3.801 . 0 0 "[ . 1 . 2]" 1
148 1 48 GLN HB2 1 48 GLN HE21 4.240 . 4.660 3.890 3.472 4.185 . 0 0 "[ . 1 . 2]" 1
149 1 29 GLN HE22 1 29 GLN HG2 3.630 . 3.990 3.487 3.472 3.496 . 0 0 "[ . 1 . 2]" 1
150 1 29 GLN HB3 1 29 GLN HE22 4.630 . 5.090 4.384 4.349 4.416 . 0 0 "[ . 1 . 2]" 1
151 1 29 GLN HE22 1 29 GLN HG3 4.040 . 4.440 3.781 3.765 3.794 . 0 0 "[ . 1 . 2]" 1
152 1 20 LYS H 1 20 LYS HB3 3.590 . 3.950 3.646 3.597 3.764 . 0 0 "[ . 1 . 2]" 1
153 1 20 LYS H 1 20 LYS HB2 2.960 . 3.260 2.488 2.388 2.609 . 0 0 "[ . 1 . 2]" 1
154 1 59 ASP H 1 59 ASP HB2 3.680 . 4.050 2.505 2.255 3.104 . 0 0 "[ . 1 . 2]" 1
155 1 59 ASP H 1 59 ASP HB3 3.680 . 4.050 3.337 2.498 3.804 . 0 0 "[ . 1 . 2]" 1
156 1 44 HIS H 1 44 HIS HB2 4.130 . 4.540 2.731 2.546 2.829 . 0 0 "[ . 1 . 2]" 1
157 1 44 HIS H 1 44 HIS HB3 4.130 . 4.540 3.835 3.728 3.894 . 0 0 "[ . 1 . 2]" 1
158 1 36 LYS H 1 36 LYS HB2 4.020 . 4.420 2.708 2.407 3.964 . 0 0 "[ . 1 . 2]" 1
159 1 36 LYS H 1 36 LYS HB3 4.020 . 4.420 3.756 3.394 3.889 . 0 0 "[ . 1 . 2]" 1
160 1 35 PRO HD2 1 36 LYS H 4.350 . 4.790 2.592 2.163 3.151 . 0 0 "[ . 1 . 2]" 1
161 1 35 PRO HB2 1 36 LYS H 4.330 . 4.760 3.203 2.190 3.983 . 0 0 "[ . 1 . 2]" 1
162 1 29 GLN HB2 1 31 ARG HE 4.680 . 5.150 3.364 2.853 5.211 0.061 11 0 "[ . 1 . 2]" 1
163 1 29 GLN HB3 1 31 ARG HE 4.620 . 5.080 3.118 2.448 4.799 . 0 0 "[ . 1 . 2]" 1
164 1 14 VAL QG 1 31 ARG HE 4.600 . 5.060 3.376 2.926 4.317 . 0 0 "[ . 1 . 2]" 1
165 1 31 ARG HE 1 40 LEU MD1 4.350 . 4.790 3.019 2.333 4.210 . 0 0 "[ . 1 . 2]" 1
166 1 46 THR H 1 47 ALA H 4.710 . 5.180 4.507 4.429 4.584 . 0 0 "[ . 1 . 2]" 1
167 1 46 THR H 1 49 GLU H 4.350 . 4.790 4.315 3.768 4.570 . 0 0 "[ . 1 . 2]" 1
168 1 44 HIS HA 1 46 THR H 4.380 . 4.820 4.108 3.837 4.539 . 0 0 "[ . 1 . 2]" 1
169 1 45 PRO HD2 1 46 THR H 4.390 . 4.830 2.707 2.355 2.906 . 0 0 "[ . 1 . 2]" 1
170 1 44 HIS HB2 1 46 THR H 3.880 . 4.270 3.801 3.373 4.307 0.037 4 0 "[ . 1 . 2]" 1
171 1 44 HIS HB3 1 46 THR H 3.880 . 4.270 2.776 2.547 3.268 . 0 0 "[ . 1 . 2]" 1
172 1 28 TYR HB2 1 46 THR H 4.980 . 5.480 4.572 4.083 5.123 . 0 0 "[ . 1 . 2]" 1
173 1 45 PRO HG2 1 46 THR H 3.340 . 3.670 2.835 2.224 3.740 0.070 20 0 "[ . 1 . 2]" 1
174 1 46 THR H 1 46 THR MG 3.540 . 3.890 2.655 2.444 2.891 . 0 0 "[ . 1 . 2]" 1
175 1 48 GLN HA 1 48 GLN HE22 4.880 . 5.370 3.800 3.199 5.303 . 0 0 "[ . 1 . 2]" 1
176 1 48 GLN HB2 1 48 GLN HE22 4.890 . 5.380 4.645 4.381 5.168 . 0 0 "[ . 1 . 2]" 1
177 1 34 HIS HA 1 36 LYS H 3.900 . 4.290 3.408 2.830 4.109 . 0 0 "[ . 1 . 2]" 1
178 1 35 PRO HD3 1 36 LYS H 4.350 . 4.790 3.866 3.589 4.179 . 0 0 "[ . 1 . 2]" 1
179 1 33 ASP H 1 34 HIS H 3.630 . 3.990 2.532 2.264 2.743 . 0 0 "[ . 1 . 2]" 1
180 1 32 ALA HA 1 34 HIS H 4.620 . 5.080 4.079 3.720 4.840 . 0 0 "[ . 1 . 2]" 1
181 1 32 ALA MB 1 34 HIS H 3.270 . 3.600 2.608 2.305 3.240 . 0 0 "[ . 1 . 2]" 1
182 1 50 ALA H 1 51 MET H 3.180 . 3.500 2.693 2.572 2.845 . 0 0 "[ . 1 . 2]" 1
183 1 49 GLU H 1 50 ALA H 3.320 . 3.650 2.753 2.665 2.851 . 0 0 "[ . 1 . 2]" 1
184 1 46 THR H 1 50 ALA H 4.530 . 4.980 4.685 4.212 4.958 . 0 0 "[ . 1 . 2]" 1
185 1 48 GLN HA 1 50 ALA H 5.060 . 5.570 4.424 4.223 4.634 . 0 0 "[ . 1 . 2]" 1
186 1 47 ALA HA 1 50 ALA H 3.760 . 4.140 3.390 3.132 3.542 . 0 0 "[ . 1 . 2]" 1
187 1 13 ILE MD 1 50 ALA H 4.960 . 5.460 4.343 3.998 4.552 . 0 0 "[ . 1 . 2]" 1
188 1 58 GLU H 1 59 ASP H 3.570 . 3.930 2.561 2.284 2.834 . 0 0 "[ . 1 . 2]" 1
189 1 56 ARG HA 1 59 ASP H 4.220 . 4.640 3.593 3.019 4.291 . 0 0 "[ . 1 . 2]" 1
190 1 47 ALA H 1 49 GLU H 4.860 . 5.350 4.504 4.237 4.735 . 0 0 "[ . 1 . 2]" 1
191 1 47 ALA HA 1 49 GLU H 5.140 . 5.650 4.553 4.394 4.720 . 0 0 "[ . 1 . 2]" 1
192 1 49 GLU H 1 50 ALA MB 4.590 . 5.050 4.422 4.362 4.491 . 0 0 "[ . 1 . 2]" 1
193 1 46 THR MG 1 49 GLU H 4.570 . 5.030 4.257 4.000 4.462 . 0 0 "[ . 1 . 2]" 1
194 1 47 ALA MB 1 49 GLU H 4.710 . 5.180 4.767 4.574 4.932 . 0 0 "[ . 1 . 2]" 1
195 1 54 LYS H 1 56 ARG H 4.980 . 5.480 4.202 3.879 4.664 . 0 0 "[ . 1 . 2]" 1
196 1 52 ASP HA 1 56 ARG H 5.010 . 5.510 4.394 3.730 5.159 . 0 0 "[ . 1 . 2]" 1
197 1 53 ALA HA 1 56 ARG H 4.070 . 4.480 3.487 3.135 3.808 . 0 0 "[ . 1 . 2]" 1
198 1 53 ALA MB 1 56 ARG H 5.030 . 5.530 4.638 4.416 4.940 . 0 0 "[ . 1 . 2]" 1
199 1 53 ALA H 1 54 LYS H 3.280 . 3.610 2.656 2.482 2.803 . 0 0 "[ . 1 . 2]" 1
200 1 52 ASP H 1 53 ALA H 3.240 . 3.560 2.789 2.670 2.886 . 0 0 "[ . 1 . 2]" 1
201 1 50 ALA HA 1 53 ALA H 3.790 . 4.170 3.681 3.522 4.047 . 0 0 "[ . 1 . 2]" 1
202 1 30 LEU MD2 1 53 ALA H 4.890 . 5.380 4.147 3.641 4.446 . 0 0 "[ . 1 . 2]" 1
203 1 54 LYS H 1 55 LYS H 3.430 . 3.770 2.859 2.724 2.941 . 0 0 "[ . 1 . 2]" 1
204 1 55 LYS H 1 57 TYR H 4.710 . 5.180 4.163 4.020 4.480 . 0 0 "[ . 1 . 2]" 1
205 1 52 ASP HA 1 55 LYS H 3.980 . 4.380 3.694 3.409 4.055 . 0 0 "[ . 1 . 2]" 1
206 1 53 ALA HA 1 55 LYS H 5.210 . 5.730 4.617 4.257 5.006 . 0 0 "[ . 1 . 2]" 1
207 1 55 LYS H 1 55 LYS HG2 4.150 . 4.570 3.239 2.255 4.132 . 0 0 "[ . 1 . 2]" 1
208 1 55 LYS H 1 55 LYS HG3 4.150 . 4.570 2.832 1.991 4.177 . 0 0 "[ . 1 . 2]" 1
209 1 53 ALA MB 1 55 LYS H 5.200 . 5.720 4.753 4.596 4.948 . 0 0 "[ . 1 . 2]" 1
210 1 30 LEU MD1 1 55 LYS H 5.320 . 5.850 5.069 4.852 5.447 . 0 0 "[ . 1 . 2]" 1
211 1 24 THR H 1 24 THR MG 3.210 . 3.530 2.570 2.276 2.987 . 0 0 "[ . 1 . 2]" 1
212 1 60 PRO HA 1 62 LYS H 4.610 . 5.070 4.051 2.982 5.092 0.022 9 0 "[ . 1 . 2]" 1
213 1 41 ILE H 1 42 SER H 3.330 . 3.660 2.616 2.480 2.804 . 0 0 "[ . 1 . 2]" 1
214 1 42 SER H 1 43 GLU H 4.850 . 5.330 4.309 4.254 4.375 . 0 0 "[ . 1 . 2]" 1
215 1 40 LEU HA 1 42 SER H 4.470 . 4.920 4.119 3.829 4.279 . 0 0 "[ . 1 . 2]" 1
216 1 30 LEU HB3 1 42 SER H 3.650 . 4.020 2.527 2.241 2.806 . 0 0 "[ . 1 . 2]" 1
217 1 40 LEU HG 1 42 SER H 4.080 . 4.490 3.476 3.212 3.807 . 0 0 "[ . 1 . 2]" 1
218 1 41 ILE MG 1 42 SER H 3.560 . 3.920 3.317 3.041 3.526 . 0 0 "[ . 1 . 2]" 1
219 1 30 LEU MD2 1 42 SER H 4.350 . 4.790 3.806 3.342 4.238 . 0 0 "[ . 1 . 2]" 1
220 1 55 LYS HA 1 58 GLU H 4.400 . 4.840 3.494 3.118 3.863 . 0 0 "[ . 1 . 2]" 1
221 1 56 ARG HA 1 58 GLU H 5.000 . 5.500 4.464 4.028 4.895 . 0 0 "[ . 1 . 2]" 1
222 1 54 LYS HA 1 58 GLU H 4.880 . 5.370 4.233 3.855 4.541 . 0 0 "[ . 1 . 2]" 1
223 1 58 GLU H 1 58 GLU HG2 4.170 . 4.590 3.413 2.384 3.948 . 0 0 "[ . 1 . 2]" 1
224 1 58 GLU H 1 58 GLU HG3 4.170 . 4.590 2.460 2.100 3.874 . 0 0 "[ . 1 . 2]" 1
225 1 10 GLU H 1 11 ALA H 4.860 . 5.350 4.383 3.894 4.598 . 0 0 "[ . 1 . 2]" 1
226 1 10 GLU H 1 57 TYR HE2 4.450 . 4.890 3.663 1.936 4.904 0.014 10 0 "[ . 1 . 2]" 1
227 1 28 TYR QE 1 47 ALA H . . 4.360 3.516 3.158 3.955 . 0 0 "[ . 1 . 2]" 1
228 1 47 ALA H 1 48 GLN HA 5.210 . 5.730 5.273 5.183 5.396 . 0 0 "[ . 1 . 2]" 1
229 1 47 ALA H 1 48 GLN HB2 5.040 . 5.540 4.907 4.457 5.198 . 0 0 "[ . 1 . 2]" 1
230 1 47 ALA H 1 48 GLN HB3 5.210 . 5.730 5.019 4.762 5.737 0.007 18 0 "[ . 1 . 2]" 1
231 1 47 ALA H 1 50 ALA MB 5.090 . 5.600 4.809 4.623 5.144 . 0 0 "[ . 1 . 2]" 1
232 1 46 THR MG 1 47 ALA H 3.700 . 4.070 3.906 3.777 3.996 . 0 0 "[ . 1 . 2]" 1
233 1 56 ARG H 1 57 TYR H 3.560 . 3.920 2.647 2.452 2.802 . 0 0 "[ . 1 . 2]" 1
234 1 57 TYR H 1 57 TYR HD2 4.540 . 4.990 4.630 4.490 4.810 . 0 0 "[ . 1 . 2]" 1
235 1 11 ALA MB 1 57 TYR H 5.490 . 6.040 5.068 4.622 5.871 . 0 0 "[ . 1 . 2]" 1
236 1 53 ALA MB 1 57 TYR H 5.730 . 6.300 4.594 4.386 4.820 . 0 0 "[ . 1 . 2]" 1
237 1 30 LEU MD2 1 57 TYR H 4.510 . 4.960 4.124 3.747 4.686 . 0 0 "[ . 1 . 2]" 1
238 1 63 GLU HG2 1 64 LEU H 5.640 . 6.200 4.570 2.366 5.326 . 0 0 "[ . 1 . 2]" 1
239 1 63 GLU HG3 1 64 LEU H 5.640 . 6.200 4.470 2.619 5.940 . 0 0 "[ . 1 . 2]" 1
240 1 52 ASP H 1 54 LYS H 4.560 . 5.020 4.038 3.839 4.266 . 0 0 "[ . 1 . 2]" 1
241 1 51 MET H 1 52 ASP H 3.360 . 3.700 2.682 2.620 2.761 . 0 0 "[ . 1 . 2]" 1
242 1 48 GLN HA 1 52 ASP H 4.640 . 5.100 3.997 3.846 4.213 . 0 0 "[ . 1 . 2]" 1
243 1 52 ASP H 1 53 ALA MB 4.500 . 4.950 4.441 4.368 4.549 . 0 0 "[ . 1 . 2]" 1
244 1 17 GLU H 1 18 LYS H 4.520 . 4.970 4.329 4.215 4.455 . 0 0 "[ . 1 . 2]" 1
245 1 17 GLU H 1 17 GLU HG2 3.970 . 4.370 3.121 2.127 4.383 0.013 14 0 "[ . 1 . 2]" 1
246 1 16 ILE HG13 1 17 GLU H 3.700 . 4.070 3.377 3.167 3.792 . 0 0 "[ . 1 . 2]" 1
247 1 17 GLU H 1 18 LYS HG3 4.790 . 5.270 4.484 4.083 4.902 . 0 0 "[ . 1 . 2]" 1
248 1 16 ILE MG 1 17 GLU H 4.150 . 4.570 3.713 3.604 3.845 . 0 0 "[ . 1 . 2]" 1
249 1 40 LEU MD1 1 43 GLU H 5.280 . 5.810 4.217 3.513 4.646 . 0 0 "[ . 1 . 2]" 1
250 1 40 LEU MD2 1 43 GLU H 5.820 . 6.400 4.496 4.050 5.139 . 0 0 "[ . 1 . 2]" 1
251 1 16 ILE HG13 1 29 GLN HE21 5.920 . 6.510 4.983 4.786 5.184 . 0 0 "[ . 1 . 2]" 1
252 1 16 ILE MD 1 29 GLN HE21 3.130 . 3.440 2.224 1.913 2.425 . 0 0 "[ . 1 . 2]" 1
253 1 48 GLN HE21 1 51 MET H 5.120 . 5.630 4.622 4.165 5.526 . 0 0 "[ . 1 . 2]" 1
254 1 49 GLU H 1 51 MET H 4.630 . 5.090 4.282 4.103 4.506 . 0 0 "[ . 1 . 2]" 1
255 1 48 GLN HA 1 51 MET H 3.540 . 3.890 3.495 3.298 3.730 . 0 0 "[ . 1 . 2]" 1
256 1 47 ALA MB 1 51 MET H 4.780 . 5.260 4.330 4.178 4.465 . 0 0 "[ . 1 . 2]" 1
257 1 13 ILE MD 1 51 MET H 3.950 . 4.350 3.141 2.902 3.344 . 0 0 "[ . 1 . 2]" 1
258 1 14 VAL H 1 15 THR H 4.550 . 5.010 4.410 4.263 4.510 . 0 0 "[ . 1 . 2]" 1
259 1 15 THR H 1 16 ILE H 4.540 . 4.990 4.421 4.315 4.529 . 0 0 "[ . 1 . 2]" 1
260 1 14 VAL QG 1 15 THR H 3.360 . 3.700 2.610 2.363 2.816 . 0 0 "[ . 1 . 2]" 1
261 1 47 ALA H 1 48 GLN H 3.540 . 3.890 2.675 2.581 2.797 . 0 0 "[ . 1 . 2]" 1
262 1 48 GLN H 1 49 GLU H 3.710 . 4.080 2.871 2.739 2.933 . 0 0 "[ . 1 . 2]" 1
263 1 48 GLN H 1 50 ALA H 5.170 . 5.690 4.169 3.987 4.401 . 0 0 "[ . 1 . 2]" 1
264 1 46 THR HB 1 48 GLN H 3.510 . 3.860 2.844 2.603 3.136 . 0 0 "[ . 1 . 2]" 1
265 1 48 GLN H 1 48 GLN HG3 4.840 . 5.320 4.473 4.169 4.587 . 0 0 "[ . 1 . 2]" 1
266 1 26 THR H 1 27 TRP H 4.570 . 5.030 4.446 4.409 4.559 . 0 0 "[ . 1 . 2]" 1
267 1 25 VAL H 1 26 THR H 4.420 . 4.860 4.385 4.160 4.497 . 0 0 "[ . 1 . 2]" 1
268 1 25 VAL MG1 1 26 THR H 3.250 . 3.580 2.700 2.226 3.073 . 0 0 "[ . 1 . 2]" 1
269 1 54 LYS H 1 54 LYS HD3 4.750 . 5.220 4.850 4.537 5.037 . 0 0 "[ . 1 . 2]" 1
270 1 30 LEU MD1 1 54 LYS H 3.770 . 4.150 3.449 3.028 3.821 . 0 0 "[ . 1 . 2]" 1
271 1 30 LEU MD2 1 54 LYS H 4.170 . 4.590 2.890 2.496 3.290 . 0 0 "[ . 1 . 2]" 1
272 1 13 ILE H 1 14 VAL H 4.600 . 5.060 4.488 4.333 4.564 . 0 0 "[ . 1 . 2]" 1
273 1 12 TYR H 1 13 ILE H 4.570 . 5.030 4.394 4.333 4.452 . 0 0 "[ . 1 . 2]" 1
274 1 12 TYR QD 1 13 ILE H 4.200 . 4.620 3.754 2.944 4.122 . 0 0 "[ . 1 . 2]" 1
275 1 13 ILE H 1 13 ILE HG13 3.580 . 3.940 2.483 2.259 2.704 . 0 0 "[ . 1 . 2]" 1
276 1 13 ILE H 1 13 ILE MG 3.830 . 4.210 3.828 3.803 3.880 . 0 0 "[ . 1 . 2]" 1
277 1 13 ILE H 1 13 ILE MD 3.730 . 4.100 3.786 3.605 3.949 . 0 0 "[ . 1 . 2]" 1
278 1 32 ALA H 1 41 ILE H 5.240 . 5.760 4.487 3.696 5.131 . 0 0 "[ . 1 . 2]" 1
279 1 31 ARG H 1 32 ALA H 5.040 . 5.540 4.510 4.475 4.569 . 0 0 "[ . 1 . 2]" 1
280 1 12 TYR QE 1 32 ALA H 5.180 . 5.700 4.282 3.760 5.014 . 0 0 "[ . 1 . 2]" 1
281 1 32 ALA H 1 40 LEU HA 5.090 . 5.600 4.274 3.794 5.285 . 0 0 "[ . 1 . 2]" 1
282 1 11 ALA MB 1 32 ALA H 5.480 . 6.030 4.763 4.069 5.201 . 0 0 "[ . 1 . 2]" 1
283 1 32 ALA H 1 41 ILE MD 4.700 . 5.170 4.071 2.787 4.742 . 0 0 "[ . 1 . 2]" 1
284 1 40 LEU H 1 41 ILE H 4.840 . 5.320 4.369 4.247 4.502 . 0 0 "[ . 1 . 2]" 1
285 1 39 SER H 1 40 LEU H 4.790 . 5.270 4.266 4.058 4.614 . 0 0 "[ . 1 . 2]" 1
286 1 40 LEU H 1 40 LEU MD1 4.680 . 5.150 4.221 4.120 4.325 . 0 0 "[ . 1 . 2]" 1
287 1 16 ILE H 1 27 TRP H 3.740 . 4.110 3.269 2.970 3.543 . 0 0 "[ . 1 . 2]" 1
288 1 16 ILE H 1 17 GLU H 4.440 . 4.880 4.502 4.449 4.545 . 0 0 "[ . 1 . 2]" 1
289 1 16 ILE H 1 28 TYR HA 4.050 . 4.460 3.513 3.201 3.794 . 0 0 "[ . 1 . 2]" 1
290 1 16 ILE H 1 27 TRP HB3 5.190 . 5.710 4.690 4.486 4.951 . 0 0 "[ . 1 . 2]" 1
291 1 16 ILE H 1 27 TRP HB2 4.780 . 5.260 3.915 3.585 4.098 . 0 0 "[ . 1 . 2]" 1
292 1 16 ILE H 1 29 GLN HG2 6.000 . 6.600 5.717 5.246 5.953 . 0 0 "[ . 1 . 2]" 1
293 1 14 VAL QG 1 16 ILE H 4.650 . 5.120 4.113 3.896 4.442 . 0 0 "[ . 1 . 2]" 1
294 1 16 ILE H 1 16 ILE HG12 3.230 . 3.550 2.282 2.146 2.420 . 0 0 "[ . 1 . 2]" 1
295 1 16 ILE H 1 16 ILE MG 3.330 . 3.660 2.715 2.560 2.892 . 0 0 "[ . 1 . 2]" 1
296 1 20 LYS H 1 23 GLN H 5.430 . 5.970 4.702 4.055 5.386 . 0 0 "[ . 1 . 2]" 1
297 1 23 GLN H 1 24 THR H 3.460 . 3.810 3.800 3.508 3.908 0.098 1 0 "[ . 1 . 2]" 1
298 1 23 GLN H 1 24 THR MG 3.890 . 4.280 3.879 3.512 4.286 0.006 19 0 "[ . 1 . 2]" 1
299 1 17 GLU HA 1 25 VAL H 4.440 . 4.880 4.062 3.767 4.331 . 0 0 "[ . 1 . 2]" 1
300 1 19 GLY HA2 1 25 VAL H 5.430 . 5.970 5.143 4.852 5.346 . 0 0 "[ . 1 . 2]" 1
301 1 18 LYS HB2 1 25 VAL H 4.790 . 5.270 3.943 3.658 4.283 . 0 0 "[ . 1 . 2]" 1
302 1 25 VAL H 1 25 VAL MG2 3.480 . 3.830 2.603 2.509 2.777 . 0 0 "[ . 1 . 2]" 1
303 1 24 THR MG 1 25 VAL H 3.950 . 4.350 3.684 3.459 3.843 . 0 0 "[ . 1 . 2]" 1
304 1 25 VAL H 1 25 VAL MG1 4.300 . 4.730 3.864 3.838 3.900 . 0 0 "[ . 1 . 2]" 1
305 1 27 TRP HE3 1 28 TYR H 4.380 . 4.820 3.516 3.110 3.834 . 0 0 "[ . 1 . 2]" 1
306 1 28 TYR H 1 28 TYR QD 3.430 . 3.770 2.307 2.028 2.574 . 0 0 "[ . 1 . 2]" 1
307 1 28 TYR H 1 45 PRO HA 4.560 . 5.020 3.456 3.215 4.036 . 0 0 "[ . 1 . 2]" 1
308 1 28 TYR H 1 50 ALA MB 5.090 . 5.600 4.674 4.310 5.096 . 0 0 "[ . 1 . 2]" 1
309 1 11 ALA H 1 12 TYR H 4.570 . 5.030 4.484 4.396 4.607 . 0 0 "[ . 1 . 2]" 1
310 1 12 TYR H 1 31 ARG H 3.610 . 3.970 3.279 2.945 3.544 . 0 0 "[ . 1 . 2]" 1
311 1 12 TYR H 1 12 TYR QD 3.680 . 4.050 2.909 2.390 3.219 . 0 0 "[ . 1 . 2]" 1
312 1 12 TYR H 1 12 TYR QE 4.460 . 4.910 4.296 4.022 4.508 . 0 0 "[ . 1 . 2]" 1
313 1 12 TYR H 1 32 ALA HA 3.760 . 4.140 3.238 2.910 3.551 . 0 0 "[ . 1 . 2]" 1
314 1 12 TYR H 1 32 ALA MB 3.910 . 4.300 4.160 3.574 4.413 0.113 9 0 "[ . 1 . 2]" 1
315 1 12 TYR H 1 14 VAL QG 5.710 . 6.280 5.130 4.703 5.346 . 0 0 "[ . 1 . 2]" 1
316 1 12 TYR H 1 30 LEU HG 6.000 . 6.600 4.512 4.067 5.014 . 0 0 "[ . 1 . 2]" 1
317 1 12 TYR H 1 30 LEU MD1 3.810 . 4.190 3.055 2.809 3.277 . 0 0 "[ . 1 . 2]" 1
318 1 18 LYS H 1 25 VAL H 3.480 . 3.830 2.706 2.515 2.997 . 0 0 "[ . 1 . 2]" 1
319 1 18 LYS H 1 27 TRP HD1 3.950 . 4.350 2.866 2.360 3.381 . 0 0 "[ . 1 . 2]" 1
320 1 18 LYS H 1 24 THR HB 3.980 . 4.380 3.311 2.693 3.628 . 0 0 "[ . 1 . 2]" 1
321 1 18 LYS H 1 25 VAL HB 4.130 . 4.540 3.479 3.232 3.680 . 0 0 "[ . 1 . 2]" 1
322 1 18 LYS H 1 24 THR MG 4.000 . 4.400 4.363 3.989 4.481 0.081 9 0 "[ . 1 . 2]" 1
323 1 16 ILE MD 1 18 LYS H 4.930 . 5.420 5.014 4.727 5.424 0.004 12 0 "[ . 1 . 2]" 1
324 1 11 ALA HA 1 33 ASP H 5.240 . 5.760 3.568 2.699 4.626 . 0 0 "[ . 1 . 2]" 1
325 1 12 TYR QD 1 31 ARG H 5.050 . 5.560 4.267 3.945 4.542 . 0 0 "[ . 1 . 2]" 1
326 1 13 ILE HA 1 31 ARG H 4.300 . 4.730 3.280 2.939 3.519 . 0 0 "[ . 1 . 2]" 1
327 1 30 LEU MD1 1 31 ARG H 3.700 . 4.070 2.761 2.537 3.011 . 0 0 "[ . 1 . 2]" 1
328 1 30 LEU H 1 44 HIS H 4.960 . 5.460 4.482 4.217 4.788 . 0 0 "[ . 1 . 2]" 1
329 1 28 TYR H 1 44 HIS H 4.020 . 4.420 3.202 3.039 3.422 . 0 0 "[ . 1 . 2]" 1
330 1 27 TRP HE3 1 44 HIS H 4.090 . 4.500 3.385 3.160 3.791 . 0 0 "[ . 1 . 2]" 1
331 1 29 GLN HA 1 44 HIS H 4.250 . 4.680 3.658 3.420 3.851 . 0 0 "[ . 1 . 2]" 1
332 1 44 HIS H 1 45 PRO HA 5.780 . 6.360 5.010 4.884 5.239 . 0 0 "[ . 1 . 2]" 1
333 1 28 TYR HB2 1 44 HIS H 4.410 . 4.850 3.358 3.078 3.707 . 0 0 "[ . 1 . 2]" 1
334 1 28 TYR HB3 1 44 HIS H 5.180 . 5.700 4.543 4.274 4.855 . 0 0 "[ . 1 . 2]" 1
335 1 43 GLU HG2 1 44 HIS H 4.990 . 5.490 4.529 4.102 5.262 . 0 0 "[ . 1 . 2]" 1
336 1 44 HIS H 1 50 ALA MB 4.550 . 5.010 4.084 3.551 4.377 . 0 0 "[ . 1 . 2]" 1
337 1 14 VAL H 1 29 GLN HB2 4.330 . 4.760 3.334 2.969 3.689 . 0 0 "[ . 1 . 2]" 1
338 1 13 ILE HG13 1 14 VAL H 4.920 . 5.410 5.073 5.035 5.154 . 0 0 "[ . 1 . 2]" 1
339 1 13 ILE HG12 1 14 VAL H 4.490 . 4.940 4.442 4.325 4.676 . 0 0 "[ . 1 . 2]" 1
340 1 18 LYS H 1 27 TRP H 4.600 . 5.060 4.165 3.800 4.501 . 0 0 "[ . 1 . 2]" 1
341 1 27 TRP H 1 28 TYR H 4.940 . 5.430 4.469 4.414 4.571 . 0 0 "[ . 1 . 2]" 1
342 1 27 TRP H 1 27 TRP HD1 4.220 . 4.640 3.127 2.854 3.515 . 0 0 "[ . 1 . 2]" 1
343 1 17 GLU HA 1 27 TRP H 3.700 . 4.070 3.185 2.569 3.830 . 0 0 "[ . 1 . 2]" 1
344 1 15 THR HB 1 27 TRP H 5.000 . 5.500 5.067 4.052 5.492 . 0 0 "[ . 1 . 2]" 1
345 1 16 ILE HB 1 27 TRP H 5.280 . 5.810 4.979 4.790 5.303 . 0 0 "[ . 1 . 2]" 1
346 1 16 ILE HG13 1 27 TRP H 4.460 . 4.910 2.943 2.613 3.399 . 0 0 "[ . 1 . 2]" 1
347 1 18 LYS HG3 1 27 TRP H 5.380 . 5.920 4.481 3.992 4.872 . 0 0 "[ . 1 . 2]" 1
348 1 16 ILE HG12 1 27 TRP H 3.670 . 4.040 3.603 3.120 4.055 0.015 7 0 "[ . 1 . 2]" 1
349 1 30 LEU H 1 31 ARG H 4.370 . 4.810 4.355 4.268 4.459 . 0 0 "[ . 1 . 2]" 1
350 1 30 LEU H 1 42 SER H 4.000 . 4.400 3.183 2.936 3.375 . 0 0 "[ . 1 . 2]" 1
351 1 30 LEU H 1 43 GLU HA 3.870 . 4.260 3.280 3.019 3.579 . 0 0 "[ . 1 . 2]" 1
352 1 30 LEU H 1 40 LEU MD1 3.720 . 4.090 3.070 2.714 3.882 . 0 0 "[ . 1 . 2]" 1
353 1 30 LEU H 1 30 LEU MD2 4.400 . 4.840 4.323 4.280 4.360 . 0 0 "[ . 1 . 2]" 1
354 1 38 ASP H 1 39 SER H 4.060 . 4.470 2.641 2.269 2.997 . 0 0 "[ . 1 . 2]" 1
355 1 31 ARG HA 1 41 ILE H 3.870 . 4.260 2.797 2.535 3.125 . 0 0 "[ . 1 . 2]" 1
356 1 30 LEU HB3 1 41 ILE H 5.100 . 5.610 3.809 3.455 4.015 . 0 0 "[ . 1 . 2]" 1
357 1 41 ILE H 1 41 ILE HG12 4.340 . 4.770 2.281 2.066 3.884 . 0 0 "[ . 1 . 2]" 1
358 1 11 ALA H 1 58 GLU HG2 4.950 . 5.440 3.136 2.213 4.601 . 0 0 "[ . 1 . 2]" 1
359 1 11 ALA H 1 58 GLU HG3 4.950 . 5.440 3.721 2.941 4.781 . 0 0 "[ . 1 . 2]" 1
360 1 10 GLU HG2 1 11 ALA H 5.320 . 5.850 4.182 2.549 5.070 . 0 0 "[ . 1 . 2]" 1
361 1 10 GLU HG3 1 11 ALA H 5.320 . 5.850 3.907 2.494 5.239 . 0 0 "[ . 1 . 2]" 1
362 1 11 ALA H 1 32 ALA MB 4.870 . 5.360 4.831 4.280 5.124 . 0 0 "[ . 1 . 2]" 1
363 1 14 VAL H 1 29 GLN H 3.650 . 4.020 3.077 2.801 3.467 . 0 0 "[ . 1 . 2]" 1
364 1 28 TYR H 1 29 GLN H 4.850 . 5.330 4.328 4.232 4.388 . 0 0 "[ . 1 . 2]" 1
365 1 16 ILE H 1 29 GLN H 5.070 . 5.580 3.996 3.698 4.226 . 0 0 "[ . 1 . 2]" 1
366 1 15 THR H 1 29 GLN H 5.000 . 5.500 4.882 4.629 4.989 . 0 0 "[ . 1 . 2]" 1
367 1 28 TYR QD 1 29 GLN H 4.510 . 4.960 4.585 4.430 4.704 . 0 0 "[ . 1 . 2]" 1
368 1 13 ILE HA 1 29 GLN H 4.630 . 5.090 4.687 4.354 5.092 0.002 7 0 "[ . 1 . 2]" 1
369 1 29 GLN H 1 50 ALA MB 5.040 . 5.540 4.944 4.757 5.182 . 0 0 "[ . 1 . 2]" 1
370 1 14 VAL QG 1 29 GLN H 5.000 . 5.500 3.930 3.711 4.225 . 0 0 "[ . 1 . 2]" 1
371 1 16 ILE MG 1 29 GLN H 4.250 . 4.680 3.833 3.498 4.052 . 0 0 "[ . 1 . 2]" 1
372 1 27 TRP HB2 1 27 TRP HE1 5.000 . 5.500 4.811 4.780 4.841 . 0 0 "[ . 1 . 2]" 1
373 1 25 VAL HB 1 27 TRP HE1 3.440 . 3.780 2.602 2.096 2.951 . 0 0 "[ . 1 . 2]" 1
374 1 18 LYS HB2 1 27 TRP HE1 3.990 . 4.390 2.896 2.361 3.434 . 0 0 "[ . 1 . 2]" 1
375 1 25 VAL MG1 1 27 TRP HE1 3.550 . 3.900 2.655 2.107 3.091 . 0 0 "[ . 1 . 2]" 1
376 1 63 GLU H 1 63 GLU HB3 4.140 . 4.550 3.442 2.562 4.097 . 0 0 "[ . 1 . 2]" 1
377 1 62 LYS HG2 1 63 GLU H 5.680 . 6.250 4.114 2.659 5.617 . 0 0 "[ . 1 . 2]" 1
378 1 62 LYS HG3 1 63 GLU H 5.680 . 6.250 3.543 2.048 5.798 . 0 0 "[ . 1 . 2]" 1
379 1 48 GLN HE21 1 52 ASP H 5.180 . 5.700 3.370 2.712 4.846 . 0 0 "[ . 1 . 2]" 1
380 1 16 ILE HG13 1 29 GLN HE22 5.920 . 6.510 5.677 5.463 5.974 . 0 0 "[ . 1 . 2]" 1
381 1 16 ILE MD 1 29 GLN HE22 3.130 . 3.440 2.609 2.442 2.864 . 0 0 "[ . 1 . 2]" 1
382 1 25 VAL MG2 1 27 TRP HE1 4.270 . 4.700 3.679 3.346 4.059 . 0 0 "[ . 1 . 2]" 1
383 1 18 LYS HB3 1 27 TRP HE1 4.690 . 5.160 4.249 3.799 4.537 . 0 0 "[ . 1 . 2]" 1
384 1 29 GLN H 1 29 GLN HG2 3.810 . 4.190 3.698 3.485 3.806 . 0 0 "[ . 1 . 2]" 1
385 1 40 LEU MD1 1 42 SER H 3.380 . 3.720 2.777 2.521 3.173 . 0 0 "[ . 1 . 2]" 1
386 1 48 GLN HE22 1 52 ASP H 5.300 . 5.830 4.262 3.380 5.828 . 0 0 "[ . 1 . 2]" 1
387 1 14 VAL H 1 30 LEU HA 4.050 . 4.460 3.750 3.228 3.990 . 0 0 "[ . 1 . 2]" 1
388 1 9 ARG H 1 10 GLU HA 4.980 . 5.480 5.129 4.296 5.542 0.062 18 0 "[ . 1 . 2]" 1
389 1 63 GLU HA 1 64 LEU H 3.560 . 3.920 2.538 2.142 3.376 . 0 0 "[ . 1 . 2]" 1
390 1 9 ARG H 1 9 ARG HG2 4.950 . 5.440 3.463 1.892 4.681 . 0 0 "[ . 1 . 2]" 1
391 1 9 ARG H 1 9 ARG HG3 4.950 . 5.440 3.431 2.112 4.575 . 0 0 "[ . 1 . 2]" 1
392 1 63 GLU H 1 63 GLU HG2 4.370 . 4.810 2.940 1.811 4.483 . 0 0 "[ . 1 . 2]" 1
393 1 63 GLU H 1 63 GLU HG3 4.370 . 4.810 3.289 2.528 4.494 . 0 0 "[ . 1 . 2]" 1
394 1 63 GLU H 1 63 GLU HB2 4.140 . 4.550 3.104 2.302 4.040 . 0 0 "[ . 1 . 2]" 1
395 1 12 TYR H 1 54 LYS HD2 5.300 . 5.830 4.859 4.206 5.579 . 0 0 "[ . 1 . 2]" 1
396 1 43 GLU H 1 43 GLU HG3 4.120 . 4.530 2.885 2.608 3.329 . 0 0 "[ . 1 . 2]" 1
397 1 43 GLU H 1 43 GLU HG2 4.530 . 4.980 3.949 3.725 4.211 . 0 0 "[ . 1 . 2]" 1
398 1 43 GLU H 1 44 HIS H 5.370 . 5.910 4.471 4.291 4.576 . 0 0 "[ . 1 . 2]" 1
399 1 46 THR H 1 47 ALA MB 5.680 . 6.250 5.702 5.598 5.824 . 0 0 "[ . 1 . 2]" 1
400 1 53 ALA H 1 54 LYS HB2 5.230 . 5.750 5.043 4.713 5.271 . 0 0 "[ . 1 . 2]" 1
401 1 53 ALA H 1 54 LYS HB3 5.230 . 5.750 4.770 4.462 5.009 . 0 0 "[ . 1 . 2]" 1
402 1 50 ALA MB 1 54 LYS H 5.220 . 5.740 4.610 4.482 4.862 . 0 0 "[ . 1 . 2]" 1
403 1 34 HIS H 1 35 PRO HA 5.120 . 5.630 4.876 4.704 5.110 . 0 0 "[ . 1 . 2]" 1
404 1 16 ILE H 1 16 ILE HB 3.970 . 4.370 3.813 3.768 3.884 . 0 0 "[ . 1 . 2]" 1
405 1 18 LYS H 1 18 LYS HG2 3.990 . 4.390 3.989 3.816 4.251 . 0 0 "[ . 1 . 2]" 1
406 1 18 LYS H 1 18 LYS HG3 3.610 . 3.970 2.986 2.649 3.339 . 0 0 "[ . 1 . 2]" 1
407 1 24 THR H 1 25 VAL H 4.640 . 5.100 4.568 4.522 4.616 . 0 0 "[ . 1 . 2]" 1
408 1 23 GLN H 1 24 THR HA 4.750 . 5.220 4.963 4.755 5.119 . 0 0 "[ . 1 . 2]" 1
409 1 13 ILE H 1 31 ARG H 6.000 . 6.600 4.967 4.836 5.148 . 0 0 "[ . 1 . 2]" 1
410 1 30 LEU H 1 30 LEU HB2 3.600 . 3.960 2.703 2.608 2.790 . 0 0 "[ . 1 . 2]" 1
411 1 30 LEU H 1 30 LEU HG 4.390 . 4.830 4.453 4.409 4.493 . 0 0 "[ . 1 . 2]" 1
412 1 26 THR H 1 26 THR MG 3.850 . 4.230 3.805 3.791 3.816 . 0 0 "[ . 1 . 2]" 1
413 1 23 GLN HA 1 23 GLN HE21 3.820 . 4.200 2.593 1.765 4.064 0.035 2 0 "[ . 1 . 2]" 1
414 1 23 GLN HA 1 23 GLN HE22 3.820 . 4.200 3.293 3.098 4.067 . 0 0 "[ . 1 . 2]" 1
415 1 16 ILE H 1 16 ILE HG13 3.990 . 4.390 3.075 2.983 3.158 . 0 0 "[ . 1 . 2]" 1
416 1 14 VAL H 1 14 VAL QG 3.270 . 3.600 2.612 2.465 2.827 . 0 0 "[ . 1 . 2]" 1
417 1 13 ILE MG 1 14 VAL H 3.210 . 3.530 2.598 2.274 3.084 . 0 0 "[ . 1 . 2]" 1
418 1 16 ILE MD 1 27 TRP H 4.440 . 4.880 4.322 3.937 4.763 . 0 0 "[ . 1 . 2]" 1
419 1 46 THR H 1 49 GLU HB2 3.420 . 3.760 3.260 2.505 3.714 . 0 0 "[ . 1 . 2]" 1
420 1 29 GLN HA 1 42 SER H 4.870 . 5.360 4.653 4.199 4.933 . 0 0 "[ . 1 . 2]" 1
421 1 31 ARG HA 1 42 SER H 4.980 . 5.480 4.879 4.578 5.298 . 0 0 "[ . 1 . 2]" 1
422 1 29 GLN HE22 1 43 GLU HG2 4.510 . 4.960 4.214 3.685 4.699 . 0 0 "[ . 1 . 2]" 1
423 1 62 LYS H 1 62 LYS HD2 6.000 . 6.600 4.803 1.788 5.996 0.012 4 0 "[ . 1 . 2]" 1
424 1 62 LYS H 1 62 LYS HD3 6.000 . 6.600 5.067 2.694 6.053 . 0 0 "[ . 1 . 2]" 1
425 1 20 LYS H 1 25 VAL MG2 5.020 . 5.520 4.503 3.472 5.210 . 0 0 "[ . 1 . 2]" 1
426 1 36 LYS H 1 38 ASP H 5.130 . 5.640 4.968 4.286 5.672 0.032 17 0 "[ . 1 . 2]" 1
427 1 21 PRO HA 1 23 GLN H 4.970 . 5.470 4.611 4.082 5.376 . 0 0 "[ . 1 . 2]" 1
428 1 50 ALA H 1 52 ASP H 4.460 . 4.910 4.145 3.863 4.415 . 0 0 "[ . 1 . 2]" 1
429 1 9 ARG H 1 10 GLU H 4.660 . 5.130 4.144 2.341 4.641 . 0 0 "[ . 1 . 2]" 1
430 1 17 GLU H 1 17 GLU HB3 3.910 . 4.300 3.523 3.105 3.852 . 0 0 "[ . 1 . 2]" 1
431 1 17 GLU H 1 27 TRP H 5.200 . 5.720 4.733 4.398 5.058 . 0 0 "[ . 1 . 2]" 1
432 1 50 ALA MB 1 53 ALA H 4.890 . 5.380 4.789 4.657 5.058 . 0 0 "[ . 1 . 2]" 1
433 1 52 ASP HB2 1 53 ALA H 3.950 . 4.350 3.551 2.674 3.900 . 0 0 "[ . 1 . 2]" 1
434 1 52 ASP HB3 1 53 ALA H 3.950 . 4.350 2.664 2.304 3.616 . 0 0 "[ . 1 . 2]" 1
435 1 51 MET H 1 53 ALA H 4.300 . 4.730 4.289 4.058 4.513 . 0 0 "[ . 1 . 2]" 1
436 1 53 ALA H 1 55 LYS H 4.330 . 4.760 4.409 4.220 4.673 . 0 0 "[ . 1 . 2]" 1
437 1 50 ALA H 1 53 ALA H 5.500 . 6.050 4.847 4.640 5.186 . 0 0 "[ . 1 . 2]" 1
438 1 13 ILE MD 1 54 LYS H 4.810 . 5.290 4.636 3.994 5.281 . 0 0 "[ . 1 . 2]" 1
439 1 25 VAL MG2 1 26 THR H 4.250 . 4.680 4.102 3.952 4.262 . 0 0 "[ . 1 . 2]" 1
440 1 13 ILE HA 1 30 LEU H 4.960 . 5.460 4.821 4.571 5.062 . 0 0 "[ . 1 . 2]" 1
441 1 25 VAL MG1 1 27 TRP H 4.740 . 5.210 4.396 4.272 4.749 . 0 0 "[ . 1 . 2]" 1
442 1 15 THR MG 1 29 GLN H 4.700 . 5.170 4.670 4.125 4.885 . 0 0 "[ . 1 . 2]" 1
443 1 13 ILE MG 1 29 GLN H 3.700 . 4.070 3.391 2.928 3.737 . 0 0 "[ . 1 . 2]" 1
444 1 29 GLN H 1 30 LEU H 4.400 . 4.840 4.403 4.275 4.488 . 0 0 "[ . 1 . 2]" 1
445 1 43 GLU HG3 1 44 HIS H 4.810 . 5.290 4.997 4.512 5.260 . 0 0 "[ . 1 . 2]" 1
446 1 28 TYR QD 1 44 HIS H 4.670 . 5.140 4.667 4.411 4.930 . 0 0 "[ . 1 . 2]" 1
447 1 27 TRP HZ3 1 44 HIS H 5.100 . 5.610 4.674 4.213 5.212 . 0 0 "[ . 1 . 2]" 1
448 1 29 GLN H 1 44 HIS H 5.560 . 6.120 4.915 4.779 4.990 . 0 0 "[ . 1 . 2]" 1
449 1 15 THR H 1 15 THR MG 3.190 . 3.510 2.497 2.267 2.732 . 0 0 "[ . 1 . 2]" 1
450 1 39 SER H 1 39 SER HB3 3.930 . 4.320 2.980 2.448 3.648 . 0 0 "[ . 1 . 2]" 1
451 1 36 LYS H 1 39 SER H 4.800 . 5.280 4.192 3.457 4.591 . 0 0 "[ . 1 . 2]" 1
452 1 12 TYR H 1 13 ILE HA 4.740 . 5.210 4.764 4.667 4.866 . 0 0 "[ . 1 . 2]" 1
453 1 32 ALA H 1 39 SER H 4.090 . 4.500 3.906 3.396 4.444 . 0 0 "[ . 1 . 2]" 1
454 1 39 SER H 1 39 SER HB2 3.930 . 4.320 2.880 2.401 3.637 . 0 0 "[ . 1 . 2]" 1
455 1 47 ALA MB 1 48 GLN H 3.180 . 3.500 2.649 2.479 2.759 . 0 0 "[ . 1 . 2]" 1
456 1 6 PRO HB3 1 7 TYR H 4.670 . 5.140 3.719 2.668 4.652 . 0 0 "[ . 1 . 2]" 1
457 1 6 PRO HB2 1 7 TYR H 4.670 . 5.140 3.367 2.349 4.374 . 0 0 "[ . 1 . 2]" 1
458 1 6 PRO HD3 1 7 TYR H 5.530 . 6.080 5.283 3.974 5.852 . 0 0 "[ . 1 . 2]" 1
459 1 6 PRO HD2 1 7 TYR H 5.530 . 6.080 4.875 2.840 5.689 . 0 0 "[ . 1 . 2]" 1
460 1 7 TYR H 1 7 TYR HD1 5.480 . 6.030 3.683 1.988 5.167 . 0 0 "[ . 1 . 2]" 1
461 1 7 TYR H 1 7 TYR HD2 5.860 . 6.450 4.461 2.295 5.751 . 0 0 "[ . 1 . 2]" 1
462 1 33 ASP HA 1 39 SER H 5.390 . 5.930 5.194 4.333 5.956 0.026 5 0 "[ . 1 . 2]" 1
463 1 46 THR HB 1 49 GLU H 3.920 . 4.310 3.575 3.379 3.820 . 0 0 "[ . 1 . 2]" 1
464 1 30 LEU H 1 50 ALA MB 4.630 . 5.090 4.349 3.910 4.711 . 0 0 "[ . 1 . 2]" 1
465 1 30 LEU H 1 40 LEU HG 6.000 . 6.600 5.217 4.862 5.808 . 0 0 "[ . 1 . 2]" 1
466 1 4 LYS HA 1 5 PRO HD2 3.240 . 3.560 2.404 2.023 2.709 . 0 0 "[ . 1 . 2]" 1
467 1 12 TYR HA 1 54 LYS HD2 4.250 . 4.680 3.343 2.523 4.183 . 0 0 "[ . 1 . 2]" 1
468 1 12 TYR HA 1 13 ILE HG13 4.790 . 5.270 3.411 3.256 3.567 . 0 0 "[ . 1 . 2]" 1
469 1 12 TYR HA 1 54 LYS HD3 5.210 . 5.730 4.765 4.112 5.360 . 0 0 "[ . 1 . 2]" 1
470 1 11 ALA MB 1 12 TYR HA 4.920 . 5.410 3.921 3.836 4.031 . 0 0 "[ . 1 . 2]" 1
471 1 12 TYR HA 1 13 ILE MD 4.770 . 5.250 4.791 4.639 4.946 . 0 0 "[ . 1 . 2]" 1
472 1 12 TYR HA 1 30 LEU MD1 4.640 . 5.100 3.826 3.474 4.133 . 0 0 "[ . 1 . 2]" 1
473 1 13 ILE HA 1 30 LEU HA 3.830 . 4.210 2.635 2.307 2.905 . 0 0 "[ . 1 . 2]" 1
474 1 13 ILE HA 1 14 VAL HB 4.910 . 5.400 4.654 4.567 4.704 . 0 0 "[ . 1 . 2]" 1
475 1 13 ILE HA 1 13 ILE HG13 3.950 . 4.350 3.056 3.022 3.086 . 0 0 "[ . 1 . 2]" 1
476 1 13 ILE HA 1 50 ALA MB 4.690 . 5.160 4.144 3.745 4.910 . 0 0 "[ . 1 . 2]" 1
477 1 13 ILE HA 1 13 ILE MG 3.420 . 3.760 2.396 2.355 2.419 . 0 0 "[ . 1 . 2]" 1
478 1 13 ILE HA 1 13 ILE HG12 3.450 . 3.790 2.586 2.520 2.625 . 0 0 "[ . 1 . 2]" 1
479 1 14 VAL H 1 15 THR HA 5.420 . 5.960 4.929 4.734 5.059 . 0 0 "[ . 1 . 2]" 1
480 1 15 THR HA 1 27 TRP H 5.610 . 6.170 4.719 4.263 4.943 . 0 0 "[ . 1 . 2]" 1
481 1 15 THR HA 1 28 TYR HA 3.440 . 3.780 2.681 2.397 2.815 . 0 0 "[ . 1 . 2]" 1
482 1 15 THR HA 1 15 THR MG 3.180 . 3.500 2.365 2.299 2.439 . 0 0 "[ . 1 . 2]" 1
483 1 16 ILE HA 1 17 GLU HA 5.110 . 5.620 4.486 4.379 4.549 . 0 0 "[ . 1 . 2]" 1
484 1 16 ILE HA 1 16 ILE HG13 3.770 . 4.150 3.679 3.654 3.710 . 0 0 "[ . 1 . 2]" 1
485 1 16 ILE HA 1 16 ILE HG12 3.970 . 4.370 3.800 3.767 3.826 . 0 0 "[ . 1 . 2]" 1
486 1 16 ILE HA 1 16 ILE MG 3.250 . 3.580 2.405 2.344 2.445 . 0 0 "[ . 1 . 2]" 1
487 1 17 GLU HA 1 24 THR HB 4.450 . 4.890 3.541 3.010 3.863 . 0 0 "[ . 1 . 2]" 1
488 1 17 GLU HA 1 17 GLU HG3 4.170 . 4.590 3.453 2.580 3.851 . 0 0 "[ . 1 . 2]" 1
489 1 17 GLU HA 1 17 GLU HG2 4.170 . 4.590 3.230 2.456 3.819 . 0 0 "[ . 1 . 2]" 1
490 1 16 ILE HG12 1 17 GLU HA 5.080 . 5.590 5.185 4.966 5.550 . 0 0 "[ . 1 . 2]" 1
491 1 18 LYS HA 1 18 LYS HG2 3.500 . 3.850 2.553 2.456 2.693 . 0 0 "[ . 1 . 2]" 1
492 1 20 LYS HA 1 21 PRO HD2 3.200 . 3.520 2.569 2.039 2.917 . 0 0 "[ . 1 . 2]" 1
493 1 20 LYS HA 1 21 PRO HG3 5.170 . 5.690 4.352 4.112 4.666 . 0 0 "[ . 1 . 2]" 1
494 1 20 LYS HA 1 20 LYS HG2 4.220 . 4.640 2.817 2.531 3.735 . 0 0 "[ . 1 . 2]" 1
495 1 20 LYS HA 1 20 LYS HG3 4.220 . 4.640 3.147 2.528 3.798 . 0 0 "[ . 1 . 2]" 1
496 1 20 LYS HA 1 24 THR MG 4.850 . 5.330 4.587 4.109 5.005 . 0 0 "[ . 1 . 2]" 1
497 1 21 PRO HA 1 24 THR MG 3.520 . 3.870 3.117 2.732 3.450 . 0 0 "[ . 1 . 2]" 1
498 1 18 LYS H 1 24 THR HA 4.480 . 4.930 4.445 4.202 4.725 . 0 0 "[ . 1 . 2]" 1
499 1 20 LYS H 1 24 THR HA 4.530 . 4.980 3.300 2.944 3.906 . 0 0 "[ . 1 . 2]" 1
500 1 24 THR HA 1 25 VAL HB 4.960 . 5.460 4.713 4.647 4.820 . 0 0 "[ . 1 . 2]" 1
501 1 24 THR HA 1 25 VAL MG2 4.330 . 4.760 3.465 3.342 3.641 . 0 0 "[ . 1 . 2]" 1
502 1 24 THR HA 1 24 THR MG 3.100 . 3.410 2.367 2.299 2.439 . 0 0 "[ . 1 . 2]" 1
503 1 24 THR HA 1 25 VAL HA 4.960 . 5.460 4.459 4.414 4.500 . 0 0 "[ . 1 . 2]" 1
504 1 25 VAL HA 1 26 THR HA 5.320 . 5.850 4.394 4.351 4.437 . 0 0 "[ . 1 . 2]" 1
505 1 25 VAL HA 1 25 VAL MG2 3.200 . 3.520 2.435 2.390 2.469 . 0 0 "[ . 1 . 2]" 1
506 1 25 VAL HA 1 25 VAL MG1 3.170 . 3.490 2.401 2.362 2.430 . 0 0 "[ . 1 . 2]" 1
507 1 18 LYS H 1 26 THR HA 4.590 . 5.050 4.010 3.513 4.352 . 0 0 "[ . 1 . 2]" 1
508 1 17 GLU HA 1 26 THR HA 3.530 . 3.880 2.743 2.364 3.225 . 0 0 "[ . 1 . 2]" 1
509 1 26 THR HA 1 26 THR MG 3.290 . 3.620 2.396 2.346 2.437 . 0 0 "[ . 1 . 2]" 1
510 1 27 TRP HA 1 27 TRP HE3 4.480 . 4.930 3.381 2.931 3.736 . 0 0 "[ . 1 . 2]" 1
511 1 26 THR MG 1 27 TRP HA 4.670 . 5.140 3.734 3.458 3.912 . 0 0 "[ . 1 . 2]" 1
512 1 28 TYR HA 1 47 ALA MB 5.870 . 6.460 6.056 5.654 6.470 0.010 5 0 "[ . 1 . 2]" 1
513 1 29 GLN HA 1 43 GLU HA 3.510 . 3.860 2.393 2.280 2.508 . 0 0 "[ . 1 . 2]" 1
514 1 29 GLN HA 1 29 GLN HG2 3.680 . 4.050 2.490 2.436 2.552 . 0 0 "[ . 1 . 2]" 1
515 1 29 GLN HA 1 43 GLU HB3 4.670 . 5.140 4.067 3.703 4.275 . 0 0 "[ . 1 . 2]" 1
516 1 29 GLN HA 1 30 LEU HB2 4.820 . 5.300 4.666 4.606 4.735 . 0 0 "[ . 1 . 2]" 1
517 1 29 GLN HA 1 40 LEU MD1 4.090 . 4.500 2.934 2.592 3.338 . 0 0 "[ . 1 . 2]" 1
518 1 29 GLN HB2 1 30 LEU HA 5.280 . 5.810 5.048 4.896 5.133 . 0 0 "[ . 1 . 2]" 1
519 1 44 HIS HA 1 49 GLU HB3 5.440 . 5.980 4.768 4.173 5.373 . 0 0 "[ . 1 . 2]" 1
520 1 31 ARG HA 1 41 ILE HG12 4.670 . 5.140 3.082 2.580 4.776 . 0 0 "[ . 1 . 2]" 1
521 1 31 ARG HA 1 40 LEU MD1 4.320 . 4.750 3.515 3.157 4.533 . 0 0 "[ . 1 . 2]" 1
522 1 11 ALA HA 1 32 ALA HA 3.770 . 4.150 2.268 1.759 3.095 0.041 5 0 "[ . 1 . 2]" 1
523 1 11 ALA MB 1 32 ALA HA 4.540 . 4.990 3.322 2.418 4.055 . 0 0 "[ . 1 . 2]" 1
524 1 34 HIS HA 1 35 PRO HA 3.360 . 3.700 2.290 1.901 2.823 . 0 0 "[ . 1 . 2]" 1
525 1 37 PRO HA 1 39 SER H 4.950 . 5.440 3.655 3.397 4.020 . 0 0 "[ . 1 . 2]" 1
526 1 33 ASP HA 1 37 PRO HA 3.350 . 3.690 2.294 1.726 3.131 0.074 9 0 "[ . 1 . 2]" 1
527 1 37 PRO HA 1 38 ASP HA 4.810 . 5.290 4.697 4.601 4.793 . 0 0 "[ . 1 . 2]" 1
528 1 39 SER HA 1 40 LEU HB2 4.810 . 5.290 4.763 4.462 4.933 . 0 0 "[ . 1 . 2]" 1
529 1 39 SER HA 1 40 LEU HB3 4.810 . 5.290 4.602 4.497 4.722 . 0 0 "[ . 1 . 2]" 1
530 1 31 ARG HA 1 40 LEU HA 3.870 . 4.260 2.704 2.359 3.470 . 0 0 "[ . 1 . 2]" 1
531 1 64 LEU HA 1 64 LEU HG 3.960 . 4.360 3.239 2.492 3.818 . 0 0 "[ . 1 . 2]" 1
532 1 40 LEU HA 1 40 LEU MD1 3.220 . 3.540 2.105 2.045 2.168 . 0 0 "[ . 1 . 2]" 1
533 1 40 LEU MD1 1 42 SER HA 4.590 . 5.050 3.894 3.189 4.230 . 0 0 "[ . 1 . 2]" 1
534 1 40 LEU MD2 1 42 SER HA 4.990 . 5.490 4.358 4.012 4.789 . 0 0 "[ . 1 . 2]" 1
535 1 40 LEU MD1 1 43 GLU HA 4.480 . 4.930 3.690 3.290 4.111 . 0 0 "[ . 1 . 2]" 1
536 1 27 TRP HE3 1 44 HIS HA 5.020 . 5.520 3.550 3.220 4.027 . 0 0 "[ . 1 . 2]" 1
537 1 27 TRP HZ3 1 44 HIS HA 4.590 . 5.050 3.087 2.670 3.732 . 0 0 "[ . 1 . 2]" 1
538 1 44 HIS HA 1 45 PRO HD2 3.440 . 3.780 2.461 2.318 2.894 . 0 0 "[ . 1 . 2]" 1
539 1 44 HIS HA 1 45 PRO HD3 3.440 . 3.780 2.239 1.884 2.353 . 0 0 "[ . 1 . 2]" 1
540 1 27 TRP HE3 1 45 PRO HA 4.430 . 4.870 3.536 3.217 3.895 . 0 0 "[ . 1 . 2]" 1
541 1 27 TRP HA 1 45 PRO HA 4.300 . 4.730 2.790 2.274 3.702 . 0 0 "[ . 1 . 2]" 1
542 1 28 TYR QE 1 46 THR HA 3.560 . 3.920 2.972 2.462 3.476 . 0 0 "[ . 1 . 2]" 1
543 1 46 THR HA 1 47 ALA HA 4.870 . 5.360 4.351 4.296 4.377 . 0 0 "[ . 1 . 2]" 1
544 1 46 THR HA 1 46 THR MG 3.260 . 3.590 2.444 2.390 2.477 . 0 0 "[ . 1 . 2]" 1
545 1 46 THR HA 1 47 ALA MB 4.130 . 4.540 4.070 4.026 4.129 . 0 0 "[ . 1 . 2]" 1
546 1 47 ALA HA 1 51 MET H 4.330 . 4.760 4.064 3.840 4.303 . 0 0 "[ . 1 . 2]" 1
547 1 28 TYR QD 1 47 ALA HA 4.410 . 4.850 3.437 3.234 3.853 . 0 0 "[ . 1 . 2]" 1
548 1 28 TYR HB3 1 47 ALA HA 4.680 . 5.150 3.709 3.261 4.134 . 0 0 "[ . 1 . 2]" 1
549 1 48 GLN HA 1 48 GLN HG3 4.150 . 4.570 3.335 3.131 3.705 . 0 0 "[ . 1 . 2]" 1
550 1 47 ALA MB 1 48 GLN HA 4.480 . 4.930 3.869 3.790 3.976 . 0 0 "[ . 1 . 2]" 1
551 1 48 GLN HE21 1 49 GLU HA 4.920 . 5.410 3.950 2.501 4.920 . 0 0 "[ . 1 . 2]" 1
552 1 49 GLU HA 1 53 ALA H 5.650 . 6.210 4.094 3.712 5.008 . 0 0 "[ . 1 . 2]" 1
553 1 51 MET HA 1 55 LYS H 4.630 . 5.090 3.985 3.700 4.403 . 0 0 "[ . 1 . 2]" 1
554 1 51 MET HA 1 51 MET HG3 4.070 . 4.480 3.236 2.985 3.748 . 0 0 "[ . 1 . 2]" 1
555 1 51 MET HA 1 54 LYS HB2 3.680 . 4.050 3.069 2.536 3.637 . 0 0 "[ . 1 . 2]" 1
556 1 51 MET HA 1 54 LYS HB3 3.680 . 4.050 2.359 1.848 2.696 . 0 0 "[ . 1 . 2]" 1
557 1 51 MET HA 1 54 LYS HD3 4.580 . 5.040 3.205 2.359 3.729 . 0 0 "[ . 1 . 2]" 1
558 1 50 ALA MB 1 51 MET HA 4.380 . 4.820 3.893 3.820 3.958 . 0 0 "[ . 1 . 2]" 1
559 1 13 ILE MD 1 51 MET HA 3.260 . 3.590 2.583 2.263 3.219 . 0 0 "[ . 1 . 2]" 1
560 1 51 MET HA 1 52 ASP HA 5.340 . 5.870 4.835 4.775 4.893 . 0 0 "[ . 1 . 2]" 1
561 1 52 ASP HA 1 53 ALA HA 5.690 . 6.260 4.796 4.742 4.858 . 0 0 "[ . 1 . 2]" 1
562 1 52 ASP HA 1 55 LYS HD2 5.450 . 6.000 3.994 2.317 5.531 . 0 0 "[ . 1 . 2]" 1
563 1 52 ASP HA 1 55 LYS HD3 5.450 . 6.000 3.571 1.796 5.113 0.004 4 0 "[ . 1 . 2]" 1
564 1 30 LEU MD2 1 53 ALA HA 4.650 . 5.120 3.938 3.672 4.350 . 0 0 "[ . 1 . 2]" 1
565 1 54 LYS HA 1 57 TYR H 4.140 . 4.550 3.519 3.249 3.672 . 0 0 "[ . 1 . 2]" 1
566 1 54 LYS HA 1 57 TYR HD2 4.660 . 5.130 4.404 4.036 4.652 . 0 0 "[ . 1 . 2]" 1
567 1 51 MET HA 1 54 LYS HA 5.620 . 6.180 5.045 4.637 5.427 . 0 0 "[ . 1 . 2]" 1
568 1 53 ALA HA 1 54 LYS HA 5.920 . 6.510 4.871 4.826 4.919 . 0 0 "[ . 1 . 2]" 1
569 1 54 LYS HA 1 57 TYR HB2 4.100 . 4.510 3.686 2.982 4.115 . 0 0 "[ . 1 . 2]" 1
570 1 54 LYS HA 1 57 TYR HB3 3.950 . 4.350 2.821 2.353 3.058 . 0 0 "[ . 1 . 2]" 1
571 1 54 LYS HA 1 54 LYS HD3 4.500 . 4.950 4.689 4.596 4.740 . 0 0 "[ . 1 . 2]" 1
572 1 54 LYS HA 1 54 LYS HG3 3.980 . 4.380 2.632 2.490 2.772 . 0 0 "[ . 1 . 2]" 1
573 1 30 LEU MD1 1 54 LYS HA 3.230 . 3.550 2.516 2.060 3.159 . 0 0 "[ . 1 . 2]" 1
574 1 30 LEU MD2 1 54 LYS HA 3.420 . 3.760 2.292 1.979 2.647 . 0 0 "[ . 1 . 2]" 1
575 1 55 LYS HA 1 55 LYS HG2 4.080 . 4.490 3.046 2.414 3.858 . 0 0 "[ . 1 . 2]" 1
576 1 55 LYS HA 1 55 LYS HG3 4.080 . 4.490 3.168 2.305 3.770 . 0 0 "[ . 1 . 2]" 1
577 1 56 ARG HA 1 59 ASP HB2 4.510 . 4.960 3.240 2.069 5.035 0.075 16 0 "[ . 1 . 2]" 1
578 1 56 ARG HA 1 59 ASP HB3 4.510 . 4.960 4.197 3.017 4.980 0.020 19 0 "[ . 1 . 2]" 1
579 1 56 ARG HA 1 56 ARG HG3 3.610 . 3.970 2.778 2.345 3.240 . 0 0 "[ . 1 . 2]" 1
580 1 56 ARG HA 1 56 ARG HG2 3.610 . 3.970 2.877 2.325 3.660 . 0 0 "[ . 1 . 2]" 1
581 1 57 TYR HD2 1 58 GLU HA 4.610 . 5.070 3.453 3.051 4.163 . 0 0 "[ . 1 . 2]" 1
582 1 58 GLU HA 1 58 GLU HG2 4.080 . 4.490 2.586 2.464 2.943 . 0 0 "[ . 1 . 2]" 1
583 1 58 GLU HA 1 58 GLU HG3 4.080 . 4.490 3.138 2.925 3.774 . 0 0 "[ . 1 . 2]" 1
584 1 62 LYS HA 1 62 LYS HE2 6.000 . 6.600 4.384 1.832 6.158 . 0 0 "[ . 1 . 2]" 1
585 1 62 LYS HA 1 62 LYS HE3 6.000 . 6.600 4.200 1.715 6.170 0.085 3 0 "[ . 1 . 2]" 1
586 1 63 GLU HA 1 63 GLU HG2 4.040 . 4.440 3.179 2.531 3.822 . 0 0 "[ . 1 . 2]" 1
587 1 62 LYS HA 1 62 LYS HD2 5.130 . 5.640 3.297 2.021 4.908 . 0 0 "[ . 1 . 2]" 1
588 1 62 LYS HA 1 62 LYS HD3 5.130 . 5.640 3.691 2.021 4.957 . 0 0 "[ . 1 . 2]" 1
589 1 19 GLY HA3 1 25 VAL H 4.530 . 4.980 3.607 3.302 3.839 . 0 0 "[ . 1 . 2]" 1
590 1 19 GLY HA3 1 20 LYS HA 4.830 . 5.310 4.460 4.418 4.588 . 0 0 "[ . 1 . 2]" 1
591 1 18 LYS HB2 1 19 GLY HA3 5.290 . 5.820 4.569 4.401 4.800 . 0 0 "[ . 1 . 2]" 1
592 1 19 GLY HA3 1 20 LYS HB2 5.600 . 6.160 4.653 4.528 4.730 . 0 0 "[ . 1 . 2]" 1
593 1 19 GLY HA3 1 24 THR MG 4.440 . 4.880 4.204 3.374 4.833 . 0 0 "[ . 1 . 2]" 1
594 1 22 GLY HA2 1 23 GLN HG2 4.860 . 5.350 5.084 4.862 5.282 . 0 0 "[ . 1 . 2]" 1
595 1 19 GLY HA2 1 20 LYS HA 4.790 . 5.270 4.391 4.325 4.497 . 0 0 "[ . 1 . 2]" 1
596 1 18 LYS HB2 1 19 GLY HA2 5.860 . 6.450 4.880 4.603 5.130 . 0 0 "[ . 1 . 2]" 1
597 1 19 GLY HA2 1 20 LYS HB2 6.000 . 6.600 5.323 5.105 5.553 . 0 0 "[ . 1 . 2]" 1
598 1 19 GLY HA2 1 24 THR MG 5.380 . 5.920 5.290 4.411 5.830 . 0 0 "[ . 1 . 2]" 1
599 1 22 GLY HA3 1 23 GLN HG2 4.860 . 5.350 3.814 3.629 3.963 . 0 0 "[ . 1 . 2]" 1
600 1 11 ALA MB 1 31 ARG H 4.660 . 5.130 4.124 3.644 4.497 . 0 0 "[ . 1 . 2]" 1
601 1 10 GLU HA 1 11 ALA MB 4.820 . 5.300 3.953 3.806 4.084 . 0 0 "[ . 1 . 2]" 1
602 1 11 ALA MB 1 54 LYS HA 4.720 . 5.190 3.120 2.657 3.991 . 0 0 "[ . 1 . 2]" 1
603 1 11 ALA MB 1 32 ALA MB 3.590 . 3.950 2.794 2.122 3.244 . 0 0 "[ . 1 . 2]" 1
604 1 11 ALA MB 1 30 LEU MD2 4.240 . 4.660 3.261 2.806 3.820 . 0 0 "[ . 1 . 2]" 1
605 1 12 TYR HA 1 13 ILE HB 4.780 . 5.260 4.699 4.649 4.802 . 0 0 "[ . 1 . 2]" 1
606 1 14 VAL HB 1 15 THR H 3.950 . 4.350 4.162 3.964 4.278 . 0 0 "[ . 1 . 2]" 1
607 1 15 THR HB 1 28 TYR HA 5.000 . 5.500 4.796 4.088 5.059 . 0 0 "[ . 1 . 2]" 1
608 1 17 GLU HG3 1 24 THR HB 5.340 . 5.870 4.347 3.265 5.101 . 0 0 "[ . 1 . 2]" 1
609 1 17 GLU HG2 1 24 THR HB 5.340 . 5.870 4.354 3.244 5.270 . 0 0 "[ . 1 . 2]" 1
610 1 24 THR HB 1 25 VAL HB 5.790 . 6.370 5.036 4.742 5.281 . 0 0 "[ . 1 . 2]" 1
611 1 17 GLU HB2 1 24 THR HB 4.140 . 4.550 2.839 1.787 4.279 0.013 8 0 "[ . 1 . 2]" 1
612 1 17 GLU HB3 1 24 THR HB 4.140 . 4.550 2.770 1.785 3.654 0.015 7 0 "[ . 1 . 2]" 1
613 1 25 VAL HB 1 26 THR H 4.490 . 4.940 4.172 3.894 4.327 . 0 0 "[ . 1 . 2]" 1
614 1 19 GLY HA3 1 25 VAL HB 5.130 . 5.640 4.566 3.899 5.181 . 0 0 "[ . 1 . 2]" 1
615 1 18 LYS HB2 1 25 VAL HB 4.290 . 4.720 3.213 2.525 3.791 . 0 0 "[ . 1 . 2]" 1
616 1 25 VAL HA 1 26 THR HB 4.730 . 5.200 4.727 4.657 4.828 . 0 0 "[ . 1 . 2]" 1
617 1 11 ALA HA 1 32 ALA MB 3.810 . 4.190 2.969 2.383 3.344 . 0 0 "[ . 1 . 2]" 1
618 1 32 ALA MB 1 39 SER HB2 5.070 . 5.580 3.468 2.126 5.211 . 0 0 "[ . 1 . 2]" 1
619 1 32 ALA MB 1 41 ILE HG13 4.420 . 4.860 3.416 2.558 4.210 . 0 0 "[ . 1 . 2]" 1
620 1 32 ALA MB 1 41 ILE MD 3.270 . 3.600 2.798 2.099 3.602 0.002 17 0 "[ . 1 . 2]" 1
621 1 46 THR HB 1 48 GLN HB2 4.960 . 5.460 4.084 3.245 4.646 . 0 0 "[ . 1 . 2]" 1
622 1 46 THR HB 1 48 GLN HB3 4.760 . 5.240 3.585 3.170 4.183 . 0 0 "[ . 1 . 2]" 1
623 1 47 ALA MB 1 50 ALA H 4.650 . 5.120 4.549 4.367 4.724 . 0 0 "[ . 1 . 2]" 1
624 1 28 TYR QE 1 47 ALA MB 3.670 . 4.040 2.879 2.532 3.424 . 0 0 "[ . 1 . 2]" 1
625 1 13 ILE MG 1 14 VAL HA 4.500 . 4.950 3.653 3.487 3.884 . 0 0 "[ . 1 . 2]" 1
626 1 13 ILE MG 1 28 TYR HA 4.680 . 5.150 3.239 2.934 3.506 . 0 0 "[ . 1 . 2]" 1
627 1 46 THR HB 1 47 ALA MB 4.540 . 4.990 4.217 4.015 4.386 . 0 0 "[ . 1 . 2]" 1
628 1 13 ILE MG 1 28 TYR HB3 3.730 . 4.100 2.143 1.857 2.442 . 0 0 "[ . 1 . 2]" 1
629 1 47 ALA MB 1 51 MET HB2 4.670 . 5.140 4.862 4.570 5.101 . 0 0 "[ . 1 . 2]" 1
630 1 13 ILE HG12 1 13 ILE MG 2.990 . 3.290 2.399 2.379 2.428 . 0 0 "[ . 1 . 2]" 1
631 1 46 THR H 1 50 ALA MB 4.690 . 5.160 4.936 4.405 5.206 0.046 20 0 "[ . 1 . 2]" 1
632 1 28 TYR HA 1 50 ALA MB 4.870 . 5.360 4.511 4.237 4.851 . 0 0 "[ . 1 . 2]" 1
633 1 44 HIS HB2 1 50 ALA MB 4.360 . 4.800 2.775 2.082 3.121 . 0 0 "[ . 1 . 2]" 1
634 1 47 ALA HA 1 50 ALA MB 3.390 . 3.730 2.563 2.344 2.841 . 0 0 "[ . 1 . 2]" 1
635 1 28 TYR HB2 1 50 ALA MB 3.500 . 3.850 2.547 2.061 3.076 . 0 0 "[ . 1 . 2]" 1
636 1 28 TYR HB3 1 50 ALA MB 3.460 . 3.810 2.571 2.267 2.924 . 0 0 "[ . 1 . 2]" 1
637 1 13 ILE HB 1 50 ALA MB 5.100 . 5.610 4.315 4.158 4.662 . 0 0 "[ . 1 . 2]" 1
638 1 13 ILE HG13 1 50 ALA MB 4.250 . 4.680 3.877 3.593 4.283 . 0 0 "[ . 1 . 2]" 1
639 1 13 ILE MG 1 50 ALA MB 3.240 . 3.560 2.443 2.182 2.860 . 0 0 "[ . 1 . 2]" 1
640 1 13 ILE HG12 1 50 ALA MB 3.420 . 3.760 2.497 2.085 3.184 . 0 0 "[ . 1 . 2]" 1
641 1 50 ALA HA 1 53 ALA MB 3.410 . 3.750 2.915 2.544 3.324 . 0 0 "[ . 1 . 2]" 1
642 1 33 ASP HA 1 37 PRO HB2 5.330 . 5.860 4.707 3.957 5.870 0.010 5 0 "[ . 1 . 2]" 1
643 1 13 ILE H 1 54 LYS HD2 5.070 . 5.580 4.143 3.632 4.543 . 0 0 "[ . 1 . 2]" 1
644 1 17 GLU HB3 1 24 THR MG 3.870 . 4.260 3.275 2.206 4.297 0.037 8 0 "[ . 1 . 2]" 1
645 1 13 ILE HG12 1 54 LYS HD2 4.990 . 5.490 3.785 3.223 4.485 . 0 0 "[ . 1 . 2]" 1
646 1 13 ILE MD 1 54 LYS HD2 5.160 . 5.680 3.243 2.478 4.202 . 0 0 "[ . 1 . 2]" 1
647 1 37 PRO HB2 1 38 ASP HA 4.470 . 4.920 4.216 4.034 4.502 . 0 0 "[ . 1 . 2]" 1
648 1 16 ILE MG 1 29 GLN HB2 4.250 . 4.680 3.474 3.199 3.765 . 0 0 "[ . 1 . 2]" 1
649 1 29 GLN HB2 1 40 LEU MD1 4.500 . 4.950 3.420 3.270 3.833 . 0 0 "[ . 1 . 2]" 1
650 1 27 TRP HB3 1 27 TRP HE3 4.010 . 4.410 2.514 2.409 2.646 . 0 0 "[ . 1 . 2]" 1
651 1 16 ILE MD 1 27 TRP HB3 4.240 . 4.660 3.084 2.891 3.404 . 0 0 "[ . 1 . 2]" 1
652 1 13 ILE MG 1 28 TYR HB2 4.200 . 4.620 3.537 3.268 3.869 . 0 0 "[ . 1 . 2]" 1
653 1 30 LEU HB3 1 41 ILE HB 4.190 . 4.610 2.459 2.139 2.673 . 0 0 "[ . 1 . 2]" 1
654 1 30 LEU HB3 1 53 ALA MB 4.620 . 5.080 3.971 3.719 4.417 . 0 0 "[ . 1 . 2]" 1
655 1 12 TYR QE 1 33 ASP HB2 5.110 . 5.620 3.911 2.309 4.767 . 0 0 "[ . 1 . 2]" 1
656 1 36 LYS HB2 1 37 PRO HD2 3.910 . 4.300 3.935 2.400 4.389 0.089 13 0 "[ . 1 . 2]" 1
657 1 32 ALA H 1 39 SER HB2 4.690 . 5.160 3.716 2.612 5.175 0.015 6 0 "[ . 1 . 2]" 1
658 1 40 LEU MD1 1 43 GLU HB2 5.390 . 5.930 4.797 4.298 5.141 . 0 0 "[ . 1 . 2]" 1
659 1 40 LEU MD2 1 43 GLU HB2 6.000 . 6.600 4.547 4.056 5.276 . 0 0 "[ . 1 . 2]" 1
660 1 48 GLN HB2 1 49 GLU H 4.610 . 5.070 3.737 3.218 3.914 . 0 0 "[ . 1 . 2]" 1
661 1 46 THR HB 1 49 GLU HB2 4.560 . 5.020 4.725 4.004 5.040 0.020 2 0 "[ . 1 . 2]" 1
662 1 49 GLU HA 1 52 ASP HB2 3.910 . 4.300 3.230 2.534 3.966 . 0 0 "[ . 1 . 2]" 1
663 1 55 LYS HB2 1 56 ARG H 4.510 . 4.960 2.997 2.236 4.164 . 0 0 "[ . 1 . 2]" 1
664 1 55 LYS HB3 1 56 ARG H 4.510 . 4.960 3.594 3.112 3.990 . 0 0 "[ . 1 . 2]" 1
665 1 11 ALA MB 1 57 TYR HB2 5.210 . 5.730 4.174 3.732 4.728 . 0 0 "[ . 1 . 2]" 1
666 1 53 ALA MB 1 57 TYR HB2 5.620 . 6.180 4.454 4.008 5.003 . 0 0 "[ . 1 . 2]" 1
667 1 18 LYS HB2 1 18 LYS HD3 4.070 . 4.480 3.110 2.361 3.790 . 0 0 "[ . 1 . 2]" 1
668 1 20 LYS HB2 1 21 PRO HD3 4.780 . 5.260 4.669 4.368 5.139 . 0 0 "[ . 1 . 2]" 1
669 1 20 LYS HB2 1 21 PRO HD2 4.400 . 4.840 3.900 3.529 4.218 . 0 0 "[ . 1 . 2]" 1
670 1 27 TRP HB2 1 28 TYR H 4.450 . 4.890 4.174 3.994 4.291 . 0 0 "[ . 1 . 2]" 1
671 1 16 ILE MD 1 27 TRP HB2 3.880 . 4.270 2.613 2.254 2.964 . 0 0 "[ . 1 . 2]" 1
672 1 14 VAL QG 1 29 GLN HB3 4.740 . 5.210 4.178 3.863 4.472 . 0 0 "[ . 1 . 2]" 1
673 1 30 LEU HB2 1 42 SER H 4.770 . 5.250 4.158 3.933 4.301 . 0 0 "[ . 1 . 2]" 1
674 1 30 LEU HB2 1 41 ILE HB 4.670 . 5.140 4.063 3.855 4.220 . 0 0 "[ . 1 . 2]" 1
675 1 30 LEU HB2 1 53 ALA MB 4.480 . 4.930 3.595 3.141 4.088 . 0 0 "[ . 1 . 2]" 1
676 1 14 VAL QG 1 31 ARG HB3 4.780 . 5.260 4.121 3.753 4.616 . 0 0 "[ . 1 . 2]" 1
677 1 49 GLU HA 1 52 ASP HB3 3.910 . 4.300 3.127 2.382 4.345 0.045 2 0 "[ . 1 . 2]" 1
678 1 27 TRP HE3 1 43 GLU HB3 4.410 . 4.850 2.736 2.382 3.191 . 0 0 "[ . 1 . 2]" 1
679 1 40 LEU MD1 1 43 GLU HB3 5.390 . 5.930 4.717 4.398 5.091 . 0 0 "[ . 1 . 2]" 1
680 1 40 LEU MD2 1 43 GLU HB3 6.000 . 6.600 4.868 4.441 5.649 . 0 0 "[ . 1 . 2]" 1
681 1 32 ALA H 1 39 SER HB3 4.690 . 5.160 3.778 2.535 4.572 . 0 0 "[ . 1 . 2]" 1
682 1 44 HIS HB3 1 50 ALA MB 4.360 . 4.800 4.055 3.263 4.476 . 0 0 "[ . 1 . 2]" 1
683 1 45 PRO HB3 1 46 THR MG 4.650 . 5.120 4.370 3.861 4.554 . 0 0 "[ . 1 . 2]" 1
684 1 48 GLN HB3 1 48 GLN HE21 4.500 . 4.950 3.536 1.923 4.072 . 0 0 "[ . 1 . 2]" 1
685 1 56 ARG H 1 56 ARG HG3 5.030 . 5.530 3.441 2.069 4.533 . 0 0 "[ . 1 . 2]" 1
686 1 48 GLN HB3 1 49 GLU HA 4.530 . 4.980 4.264 3.918 4.460 . 0 0 "[ . 1 . 2]" 1
687 1 49 GLU H 1 49 GLU HB3 3.730 . 4.100 3.534 2.993 3.614 . 0 0 "[ . 1 . 2]" 1
688 1 46 THR H 1 49 GLU HB3 4.520 . 4.970 4.548 2.615 4.988 0.018 19 0 "[ . 1 . 2]" 1
689 1 11 ALA MB 1 57 TYR HB3 4.880 . 5.370 3.241 2.840 4.012 . 0 0 "[ . 1 . 2]" 1
690 1 40 LEU H 1 40 LEU HG 4.820 . 5.300 4.428 4.381 4.502 . 0 0 "[ . 1 . 2]" 1
691 1 12 TYR QE 1 14 VAL QG . . 3.610 2.349 2.039 2.696 . 0 0 "[ . 1 . 2]" 1
692 1 14 VAL QG 1 31 ARG HD2 . . 4.130 2.149 1.785 2.632 0.015 16 0 "[ . 1 . 2]" 1
693 1 14 VAL QG 1 31 ARG HD3 . . 4.130 3.316 2.010 3.962 . 0 0 "[ . 1 . 2]" 1
694 1 16 ILE HG13 1 27 TRP HB2 4.320 . 4.750 2.117 1.954 2.423 . 0 0 "[ . 1 . 2]" 1
695 1 32 ALA MB 1 41 ILE HG12 4.420 . 4.860 3.373 2.684 4.218 . 0 0 "[ . 1 . 2]" 1
696 1 13 ILE H 1 13 ILE HG12 4.550 . 5.010 3.704 3.560 3.869 . 0 0 "[ . 1 . 2]" 1
697 1 16 ILE HG12 1 17 GLU H 4.400 . 4.840 4.520 4.373 4.806 . 0 0 "[ . 1 . 2]" 1
698 1 16 ILE HG12 1 16 ILE MG 3.220 . 3.540 2.375 2.347 2.400 . 0 0 "[ . 1 . 2]" 1
699 1 41 ILE H 1 41 ILE HG13 4.340 . 4.770 3.667 3.506 3.785 . 0 0 "[ . 1 . 2]" 1
700 1 31 ARG HA 1 41 ILE HG13 4.670 . 5.140 4.462 3.876 5.138 . 0 0 "[ . 1 . 2]" 1
701 1 15 THR MG 1 16 ILE H 4.440 . 4.880 4.066 3.935 4.161 . 0 0 "[ . 1 . 2]" 1
702 1 14 VAL HA 1 15 THR MG 4.030 . 4.430 3.704 3.582 3.933 . 0 0 "[ . 1 . 2]" 1
703 1 15 THR MG 1 28 TYR HA 4.310 . 4.740 3.495 2.791 3.780 . 0 0 "[ . 1 . 2]" 1
704 1 16 ILE MG 1 27 TRP H 4.950 . 5.440 4.998 4.719 5.251 . 0 0 "[ . 1 . 2]" 1
705 1 16 ILE MG 1 29 GLN HE21 4.310 . 4.740 3.766 3.239 4.088 . 0 0 "[ . 1 . 2]" 1
706 1 16 ILE MG 1 29 GLN HE22 4.310 . 4.740 3.431 3.070 3.783 . 0 0 "[ . 1 . 2]" 1
707 1 16 ILE MG 1 27 TRP HB3 4.680 . 5.150 5.137 4.988 5.201 0.051 14 0 "[ . 1 . 2]" 1
708 1 16 ILE MG 1 27 TRP HB2 4.600 . 5.060 4.544 4.324 4.753 . 0 0 "[ . 1 . 2]" 1
709 1 16 ILE MG 1 29 GLN HG2 3.770 . 4.150 4.068 3.590 4.230 0.080 6 0 "[ . 1 . 2]" 1
710 1 16 ILE HG13 1 16 ILE MG 3.560 . 3.920 3.216 3.209 3.220 . 0 0 "[ . 1 . 2]" 1
711 1 14 VAL QG 1 16 ILE MG 3.310 . 3.640 2.429 2.169 2.880 . 0 0 "[ . 1 . 2]" 1
712 1 26 THR MG 1 27 TRP H 3.660 . 4.030 2.949 2.710 3.011 . 0 0 "[ . 1 . 2]" 1
713 1 16 ILE H 1 26 THR MG 4.100 . 4.510 3.655 3.158 4.250 . 0 0 "[ . 1 . 2]" 1
714 1 15 THR HA 1 26 THR MG 3.990 . 4.390 3.640 3.209 4.335 . 0 0 "[ . 1 . 2]" 1
715 1 15 THR HB 1 26 THR MG 3.400 . 3.740 2.683 1.990 3.634 . 0 0 "[ . 1 . 2]" 1
716 1 41 ILE H 1 41 ILE MG 4.290 . 4.720 3.798 3.779 3.821 . 0 0 "[ . 1 . 2]" 1
717 1 41 ILE MG 1 57 TYR HE1 4.470 . 4.920 4.356 3.221 4.959 0.039 7 0 "[ . 1 . 2]" 1
718 1 41 ILE HA 1 41 ILE MG 3.210 . 3.530 2.390 2.366 2.488 . 0 0 "[ . 1 . 2]" 1
719 1 30 LEU HB3 1 41 ILE MG 4.330 . 4.760 3.640 3.378 3.848 . 0 0 "[ . 1 . 2]" 1
720 1 41 ILE MG 1 53 ALA MB 4.020 . 4.420 3.504 2.758 4.008 . 0 0 "[ . 1 . 2]" 1
721 1 45 PRO HA 1 46 THR MG 4.700 . 5.170 4.475 4.301 4.589 . 0 0 "[ . 1 . 2]" 1
722 1 45 PRO HB2 1 46 THR MG 3.870 . 4.260 3.012 2.430 3.247 . 0 0 "[ . 1 . 2]" 1
723 1 20 LYS H 1 20 LYS HG2 4.480 . 4.930 3.493 2.334 4.133 . 0 0 "[ . 1 . 2]" 1
724 1 20 LYS H 1 20 LYS HG3 4.480 . 4.930 2.867 2.115 4.199 . 0 0 "[ . 1 . 2]" 1
725 1 19 GLY HA2 1 20 LYS HG2 6.000 . 6.600 4.909 3.643 5.829 . 0 0 "[ . 1 . 2]" 1
726 1 19 GLY HA2 1 20 LYS HG3 6.000 . 6.600 4.410 3.763 6.141 . 0 0 "[ . 1 . 2]" 1
727 1 20 LYS HG2 1 21 PRO HD2 5.350 . 5.890 3.979 3.279 5.122 . 0 0 "[ . 1 . 2]" 1
728 1 20 LYS HG3 1 21 PRO HD2 5.350 . 5.890 4.647 3.820 5.143 . 0 0 "[ . 1 . 2]" 1
729 1 59 ASP HA 1 60 PRO HG2 5.670 . 6.240 4.575 4.374 4.797 . 0 0 "[ . 1 . 2]" 1
730 1 59 ASP HA 1 60 PRO HG3 5.670 . 6.240 4.449 4.205 4.698 . 0 0 "[ . 1 . 2]" 1
731 1 44 HIS HA 1 45 PRO HG2 4.680 . 5.150 4.525 4.460 4.604 . 0 0 "[ . 1 . 2]" 1
732 1 45 PRO HG2 1 46 THR MG 4.100 . 4.510 2.557 2.251 4.034 . 0 0 "[ . 1 . 2]" 1
733 1 10 GLU H 1 10 GLU HG2 5.490 . 6.040 3.847 2.166 5.068 . 0 0 "[ . 1 . 2]" 1
734 1 10 GLU H 1 10 GLU HG3 5.490 . 6.040 3.828 2.321 5.096 . 0 0 "[ . 1 . 2]" 1
735 1 18 LYS HG2 1 27 TRP HD1 5.070 . 5.580 4.410 4.031 4.789 . 0 0 "[ . 1 . 2]" 1
736 1 20 LYS HA 1 21 PRO HG2 5.170 . 5.690 4.514 4.230 4.658 . 0 0 "[ . 1 . 2]" 1
737 1 23 GLN HA 1 23 GLN HG2 3.460 . 3.810 3.079 2.879 3.269 . 0 0 "[ . 1 . 2]" 1
738 1 20 LYS HB2 1 23 GLN HG2 4.940 . 5.430 4.346 3.570 5.152 . 0 0 "[ . 1 . 2]" 1
739 1 20 LYS HB2 1 23 GLN HG3 5.430 . 5.970 4.510 3.860 5.417 . 0 0 "[ . 1 . 2]" 1
740 1 16 ILE MD 1 29 GLN HG2 3.840 . 4.220 3.078 2.792 3.289 . 0 0 "[ . 1 . 2]" 1
741 1 29 GLN HG2 1 43 GLU HA 4.780 . 5.260 3.436 3.131 3.791 . 0 0 "[ . 1 . 2]" 1
742 1 14 VAL QG 1 31 ARG HG2 4.600 . 5.060 4.177 3.771 4.739 . 0 0 "[ . 1 . 2]" 1
743 1 31 ARG HG2 1 40 LEU MD1 4.610 . 5.070 2.574 2.185 3.415 . 0 0 "[ . 1 . 2]" 1
744 1 36 LYS H 1 36 LYS HG2 5.060 . 5.570 3.488 2.442 4.232 . 0 0 "[ . 1 . 2]" 1
745 1 36 LYS H 1 36 LYS HG3 5.060 . 5.570 3.644 2.691 4.517 . 0 0 "[ . 1 . 2]" 1
746 1 27 TRP HE3 1 43 GLU HG3 5.660 . 6.230 5.663 5.222 6.003 . 0 0 "[ . 1 . 2]" 1
747 1 40 LEU MD1 1 43 GLU HG3 3.640 . 4.000 2.720 2.086 3.180 . 0 0 "[ . 1 . 2]" 1
748 1 45 PRO HG3 1 46 THR H 4.570 . 5.030 4.199 3.826 4.454 . 0 0 "[ . 1 . 2]" 1
749 1 45 PRO HG3 1 46 THR MG 4.770 . 5.250 4.039 3.808 5.043 . 0 0 "[ . 1 . 2]" 1
750 1 48 GLN H 1 48 GLN HG2 4.840 . 5.320 4.453 3.792 4.623 . 0 0 "[ . 1 . 2]" 1
751 1 48 GLN HA 1 48 GLN HG2 4.150 . 4.570 3.220 2.189 3.833 . 0 0 "[ . 1 . 2]" 1
752 1 46 THR MG 1 49 GLU HG2 5.280 . 5.810 4.749 3.510 5.719 . 0 0 "[ . 1 . 2]" 1
753 1 46 THR MG 1 49 GLU HG3 5.280 . 5.810 3.842 3.275 4.739 . 0 0 "[ . 1 . 2]" 1
754 1 51 MET HA 1 51 MET HG2 4.070 . 4.480 2.646 2.458 2.986 . 0 0 "[ . 1 . 2]" 1
755 1 13 ILE MD 1 51 MET HG2 3.940 . 4.330 2.455 2.154 2.880 . 0 0 "[ . 1 . 2]" 1
756 1 56 ARG H 1 56 ARG HG2 5.030 . 5.530 3.990 3.229 4.554 . 0 0 "[ . 1 . 2]" 1
757 1 10 GLU HA 1 58 GLU HG2 5.090 . 5.600 2.912 1.794 5.019 0.006 14 0 "[ . 1 . 2]" 1
758 1 62 LYS H 1 62 LYS HG2 5.350 . 5.890 4.207 1.936 5.191 . 0 0 "[ . 1 . 2]" 1
759 1 62 LYS H 1 62 LYS HG3 5.350 . 5.890 4.334 3.220 4.778 . 0 0 "[ . 1 . 2]" 1
760 1 17 GLU H 1 17 GLU HG3 3.970 . 4.370 3.080 2.606 3.880 . 0 0 "[ . 1 . 2]" 1
761 1 18 LYS HA 1 18 LYS HG3 4.170 . 4.590 3.142 3.013 3.287 . 0 0 "[ . 1 . 2]" 1
762 1 29 GLN H 1 29 GLN HG3 4.500 . 4.950 2.714 2.559 2.891 . 0 0 "[ . 1 . 2]" 1
763 1 14 VAL QG 1 31 ARG HG3 4.600 . 5.060 3.069 2.517 3.706 . 0 0 "[ . 1 . 2]" 1
764 1 31 ARG HG3 1 40 LEU MD1 4.610 . 5.070 2.983 2.544 3.729 . 0 0 "[ . 1 . 2]" 1
765 1 27 TRP HE3 1 43 GLU HG2 4.620 . 5.080 4.940 4.674 5.130 0.050 20 0 "[ . 1 . 2]" 1
766 1 40 LEU MD1 1 43 GLU HG2 3.740 . 4.110 2.927 2.349 3.982 . 0 0 "[ . 1 . 2]" 1
767 1 40 LEU MD2 1 43 GLU HG2 4.230 . 4.650 3.091 2.572 4.170 . 0 0 "[ . 1 . 2]" 1
768 1 10 GLU HA 1 58 GLU HG3 5.090 . 5.600 4.211 3.379 5.159 . 0 0 "[ . 1 . 2]" 1
769 1 63 GLU HA 1 63 GLU HG3 4.040 . 4.440 3.448 2.564 3.861 . 0 0 "[ . 1 . 2]" 1
770 1 13 ILE HA 1 13 ILE MD 3.990 . 4.390 3.864 3.831 3.885 . 0 0 "[ . 1 . 2]" 1
771 1 13 ILE MD 1 47 ALA HA 4.650 . 5.120 3.568 2.594 4.140 . 0 0 "[ . 1 . 2]" 1
772 1 13 ILE MD 1 51 MET HG3 3.940 . 4.330 2.923 2.407 3.765 . 0 0 "[ . 1 . 2]" 1
773 1 13 ILE MD 1 51 MET HB2 3.950 . 4.350 4.206 4.040 4.402 0.052 2 0 "[ . 1 . 2]" 1
774 1 13 ILE HB 1 13 ILE MD 3.030 . 3.330 2.428 2.411 2.464 . 0 0 "[ . 1 . 2]" 1
775 1 13 ILE MD 1 50 ALA MB 3.190 . 3.510 2.064 1.882 2.144 . 0 0 "[ . 1 . 2]" 1
776 1 13 ILE MD 1 13 ILE MG 2.870 . 3.160 1.968 1.926 2.008 . 0 0 "[ . 1 . 2]" 1
777 1 16 ILE H 1 16 ILE MD 4.590 . 5.050 3.905 3.807 4.015 . 0 0 "[ . 1 . 2]" 1
778 1 16 ILE HA 1 16 ILE MD 4.240 . 4.660 4.193 4.184 4.205 . 0 0 "[ . 1 . 2]" 1
779 1 16 ILE MD 1 18 LYS HG3 3.700 . 4.070 2.918 2.402 3.229 . 0 0 "[ . 1 . 2]" 1
780 1 11 ALA HA 1 30 LEU MD1 4.740 . 5.210 4.176 3.755 4.758 . 0 0 "[ . 1 . 2]" 1
781 1 30 LEU HA 1 30 LEU MD1 3.280 . 3.610 2.080 2.041 2.143 . 0 0 "[ . 1 . 2]" 1
782 1 30 LEU MD1 1 57 TYR HB2 5.660 . 6.230 4.701 4.084 5.505 . 0 0 "[ . 1 . 2]" 1
783 1 30 LEU MD1 1 54 LYS HB2 3.960 . 4.360 2.143 1.930 2.345 . 0 0 "[ . 1 . 2]" 1
784 1 30 LEU MD1 1 54 LYS HB3 3.960 . 4.360 3.588 3.371 3.792 . 0 0 "[ . 1 . 2]" 1
785 1 13 ILE HG13 1 30 LEU MD1 3.970 . 4.370 3.215 2.822 3.688 . 0 0 "[ . 1 . 2]" 1
786 1 30 LEU MD1 1 54 LYS HD3 4.250 . 4.680 4.111 3.674 4.409 . 0 0 "[ . 1 . 2]" 1
787 1 11 ALA MB 1 30 LEU MD1 3.070 . 3.380 2.082 1.834 2.528 . 0 0 "[ . 1 . 2]" 1
788 1 40 LEU MD2 1 41 ILE H 4.750 . 5.220 4.856 4.603 5.048 . 0 0 "[ . 1 . 2]" 1
789 1 40 LEU H 1 40 LEU MD2 4.390 . 4.830 4.321 4.251 4.487 . 0 0 "[ . 1 . 2]" 1
790 1 29 GLN HE21 1 40 LEU MD2 4.390 . 4.830 3.249 2.670 4.217 . 0 0 "[ . 1 . 2]" 1
791 1 29 GLN HE22 1 40 LEU MD2 4.390 . 4.830 3.236 2.556 4.313 . 0 0 "[ . 1 . 2]" 1
792 1 40 LEU MD2 1 43 GLU HG3 3.960 . 4.360 2.465 1.939 3.524 . 0 0 "[ . 1 . 2]" 1
793 1 40 LEU HB2 1 40 LEU MD2 3.280 . 3.610 2.385 2.340 2.414 . 0 0 "[ . 1 . 2]" 1
794 1 40 LEU HB3 1 40 LEU MD2 3.280 . 3.610 2.349 2.319 2.389 . 0 0 "[ . 1 . 2]" 1
795 1 41 ILE H 1 41 ILE MD 4.370 . 4.810 3.143 1.836 3.335 . 0 0 "[ . 1 . 2]" 1
796 1 40 LEU H 1 41 ILE MD 5.560 . 6.120 4.724 4.072 5.211 . 0 0 "[ . 1 . 2]" 1
797 1 41 ILE MD 1 42 SER H 4.890 . 5.380 4.557 3.804 4.624 . 0 0 "[ . 1 . 2]" 1
798 1 31 ARG HA 1 41 ILE MD 4.490 . 4.940 4.171 2.189 4.707 . 0 0 "[ . 1 . 2]" 1
799 1 41 ILE HA 1 41 ILE MD 3.520 . 3.870 2.115 2.044 2.916 . 0 0 "[ . 1 . 2]" 1
800 1 11 ALA MB 1 41 ILE MD 4.570 . 5.030 4.445 3.374 5.054 0.024 17 0 "[ . 1 . 2]" 1
801 1 41 ILE MD 1 41 ILE MG 3.060 . 3.370 2.094 2.006 3.256 . 0 0 "[ . 1 . 2]" 1
802 1 30 LEU MD2 1 41 ILE H 5.390 . 5.930 4.535 4.162 4.816 . 0 0 "[ . 1 . 2]" 1
803 1 30 LEU MD2 1 57 TYR HD1 5.380 . 5.920 4.557 3.600 5.307 . 0 0 "[ . 1 . 2]" 1
804 1 30 LEU MD2 1 57 TYR HD2 5.940 . 6.530 4.661 4.140 5.459 . 0 0 "[ . 1 . 2]" 1
805 1 30 LEU HA 1 30 LEU MD2 4.200 . 4.620 3.896 3.884 3.913 . 0 0 "[ . 1 . 2]" 1
806 1 30 LEU MD2 1 57 TYR HB3 3.990 . 4.390 3.285 2.877 3.999 . 0 0 "[ . 1 . 2]" 1
807 1 30 LEU HB3 1 30 LEU MD2 3.370 . 3.710 2.325 2.287 2.351 . 0 0 "[ . 1 . 2]" 1
808 1 30 LEU MD2 1 54 LYS HB3 4.970 . 5.470 4.221 3.785 4.669 . 0 0 "[ . 1 . 2]" 1
809 1 30 LEU MD2 1 53 ALA MB 3.020 . 3.320 2.028 1.884 2.320 . 0 0 "[ . 1 . 2]" 1
810 1 40 LEU MD1 1 41 ILE H 3.430 . 3.770 2.574 2.192 3.005 . 0 0 "[ . 1 . 2]" 1
811 1 29 GLN HE21 1 40 LEU MD1 4.410 . 4.850 3.742 3.056 4.047 . 0 0 "[ . 1 . 2]" 1
812 1 29 GLN HE22 1 40 LEU MD1 4.410 . 4.850 3.978 3.275 4.279 . 0 0 "[ . 1 . 2]" 1
813 1 29 GLN HB3 1 40 LEU MD1 3.300 . 3.630 1.999 1.853 2.450 . 0 0 "[ . 1 . 2]" 1
814 1 20 LYS HB3 1 21 PRO HD2 2.960 . 3.260 2.381 1.986 2.768 . 0 0 "[ . 1 . 2]" 1
815 1 36 LYS HB3 1 37 PRO HD2 3.910 . 4.300 2.595 1.908 3.900 . 0 0 "[ . 1 . 2]" 1
816 1 36 LYS HG2 1 37 PRO HD2 4.970 . 5.470 4.314 3.400 5.167 . 0 0 "[ . 1 . 2]" 1
817 1 36 LYS HG3 1 37 PRO HD2 4.970 . 5.470 4.705 3.217 5.284 . 0 0 "[ . 1 . 2]" 1
818 1 20 LYS HA 1 21 PRO HD3 3.030 . 3.330 2.247 1.971 2.663 . 0 0 "[ . 1 . 2]" 1
819 1 31 ARG HD2 1 40 LEU MD1 4.720 . 5.190 4.383 3.653 5.215 0.025 17 0 "[ . 1 . 2]" 1
820 1 27 TRP HZ3 1 45 PRO HD2 4.860 . 5.350 4.144 3.853 4.787 . 0 0 "[ . 1 . 2]" 1
821 1 59 ASP H 1 60 PRO HD2 5.630 . 6.190 4.925 4.550 5.224 . 0 0 "[ . 1 . 2]" 1
822 1 59 ASP H 1 60 PRO HD3 5.630 . 6.190 4.549 3.086 5.270 . 0 0 "[ . 1 . 2]" 1
823 1 27 TRP HZ3 1 45 PRO HD3 4.860 . 5.350 2.504 2.180 3.086 . 0 0 "[ . 1 . 2]" 1
824 1 18 LYS HB3 1 18 LYS HD3 4.040 . 4.440 2.570 2.399 3.671 . 0 0 "[ . 1 . 2]" 1
825 1 31 ARG HD3 1 40 LEU MD1 4.720 . 5.190 4.387 3.814 4.992 . 0 0 "[ . 1 . 2]" 1
826 1 13 ILE H 1 54 LYS HD3 5.140 . 5.650 5.437 4.978 5.682 0.032 7 0 "[ . 1 . 2]" 1
827 1 13 ILE MD 1 54 LYS HD3 3.910 . 4.300 3.372 2.834 3.891 . 0 0 "[ . 1 . 2]" 1
828 1 56 ARG HA 1 56 ARG HD3 4.920 . 5.410 4.556 3.974 4.790 . 0 0 "[ . 1 . 2]" 1
829 1 16 ILE MD 1 18 LYS HE2 3.680 . 4.050 2.555 1.832 3.836 . 0 0 "[ . 1 . 2]" 1
830 1 12 TYR HA 1 54 LYS HE2 4.480 . 4.930 3.459 2.096 4.939 0.009 7 0 "[ . 1 . 2]" 1
831 1 11 ALA MB 1 54 LYS HE2 4.720 . 5.190 3.894 2.366 5.270 0.080 18 0 "[ . 1 . 2]" 1
832 1 16 ILE MD 1 18 LYS HE3 3.680 . 4.050 2.659 1.798 3.806 0.002 18 0 "[ . 1 . 2]" 1
833 1 11 ALA MB 1 54 LYS HE3 4.720 . 5.190 4.450 2.998 5.214 0.024 3 0 "[ . 1 . 2]" 1
834 1 30 LEU MD2 1 41 ILE HB 3.810 . 4.190 2.407 2.111 2.666 . 0 0 "[ . 1 . 2]" 1
835 1 30 LEU MD2 1 57 TYR HB2 3.860 . 4.250 3.072 2.419 3.744 . 0 0 "[ . 1 . 2]" 1
836 1 18 LYS HB3 1 18 LYS HD2 4.040 . 4.440 3.029 2.458 3.819 . 0 0 "[ . 1 . 2]" 1
837 1 16 ILE HG13 1 27 TRP HB3 4.670 . 5.140 3.593 3.162 4.011 . 0 0 "[ . 1 . 2]" 1
838 1 16 ILE HG13 1 18 LYS HG3 4.620 . 5.080 3.049 2.565 3.400 . 0 0 "[ . 1 . 2]" 1
839 1 16 ILE HG12 1 18 LYS HG3 4.480 . 4.930 4.610 4.136 4.912 . 0 0 "[ . 1 . 2]" 1
840 1 16 ILE HG12 1 29 GLN HG2 4.930 . 5.420 4.003 3.759 4.205 . 0 0 "[ . 1 . 2]" 1
841 1 44 HIS HA 1 45 PRO HG3 4.980 . 5.480 4.421 3.996 4.530 . 0 0 "[ . 1 . 2]" 1
842 1 11 ALA MB 1 41 ILE HG12 4.710 . 5.180 4.436 3.755 5.187 0.007 17 0 "[ . 1 . 2]" 1
843 1 11 ALA MB 1 41 ILE HG13 4.710 . 5.180 3.897 3.058 5.112 . 0 0 "[ . 1 . 2]" 1
844 1 16 ILE MD 1 18 LYS HG2 4.180 . 4.600 3.339 3.017 3.745 . 0 0 "[ . 1 . 2]" 1
845 1 30 LEU MD2 1 41 ILE MD 4.210 . 4.630 4.096 3.727 4.392 . 0 0 "[ . 1 . 2]" 1
846 1 30 LEU MD2 1 41 ILE MG 3.260 . 3.590 2.305 2.134 2.464 . 0 0 "[ . 1 . 2]" 1
847 1 30 LEU MD1 1 51 MET HA 4.910 . 5.400 4.348 3.931 4.923 . 0 0 "[ . 1 . 2]" 1
848 1 35 PRO HB2 1 36 LYS HG2 5.300 . 5.830 3.661 2.406 5.105 . 0 0 "[ . 1 . 2]" 1
849 1 35 PRO HB2 1 36 LYS HG3 5.300 . 5.830 3.929 2.630 5.594 . 0 0 "[ . 1 . 2]" 1
850 1 32 ALA MB 1 57 TYR HD2 4.570 . 5.030 4.151 3.550 4.597 . 0 0 "[ . 1 . 2]" 1
851 1 13 ILE HG12 1 30 LEU HB2 4.560 . 5.020 3.810 3.254 4.346 . 0 0 "[ . 1 . 2]" 1
852 1 49 GLU HB2 1 50 ALA MB 4.450 . 4.890 4.126 3.804 4.955 0.065 13 0 "[ . 1 . 2]" 1
853 1 49 GLU HB3 1 50 ALA MB 5.090 . 5.600 4.621 3.880 4.884 . 0 0 "[ . 1 . 2]" 1
854 1 50 ALA MB 1 51 MET HB2 5.440 . 5.980 4.561 4.354 4.687 . 0 0 "[ . 1 . 2]" 1
855 1 16 ILE HB 1 18 LYS HG3 4.760 . 5.240 4.376 3.646 4.787 . 0 0 "[ . 1 . 2]" 1
856 1 16 ILE MG 1 29 GLN HG3 3.670 . 4.040 2.777 2.309 3.003 . 0 0 "[ . 1 . 2]" 1
857 1 18 LYS HB3 1 18 LYS HE3 4.630 . 5.090 4.564 2.832 4.845 . 0 0 "[ . 1 . 2]" 1
858 1 18 LYS HB3 1 18 LYS HE2 4.630 . 5.090 4.381 3.482 4.668 . 0 0 "[ . 1 . 2]" 1
859 1 16 ILE MD 1 17 GLU H 4.490 . 4.940 3.947 3.717 4.374 . 0 0 "[ . 1 . 2]" 1
860 1 29 GLN HA 1 43 GLU HG3 5.060 . 5.570 3.849 2.577 4.312 . 0 0 "[ . 1 . 2]" 1
861 1 11 ALA MB 1 41 ILE HB 5.560 . 6.120 5.036 4.192 5.840 . 0 0 "[ . 1 . 2]" 1
862 1 41 ILE HB 1 53 ALA MB 5.900 . 6.490 4.610 4.008 5.116 . 0 0 "[ . 1 . 2]" 1
863 1 30 LEU HG 1 41 ILE HB 4.100 . 4.510 2.655 2.254 3.000 . 0 0 "[ . 1 . 2]" 1
864 1 30 LEU MD1 1 41 ILE HB 4.690 . 5.160 4.197 3.948 4.391 . 0 0 "[ . 1 . 2]" 1
865 1 40 LEU MD1 1 41 ILE HB 5.220 . 5.740 4.201 3.924 4.808 . 0 0 "[ . 1 . 2]" 1
866 1 18 LYS HB2 1 18 LYS HD2 4.070 . 4.480 2.618 2.410 3.575 . 0 0 "[ . 1 . 2]" 1
867 1 14 VAL QG 1 31 ARG HB2 4.780 . 5.260 2.962 2.546 3.468 . 0 0 "[ . 1 . 2]" 1
868 1 30 LEU MD2 1 54 LYS HB2 4.970 . 5.470 3.196 2.660 3.762 . 0 0 "[ . 1 . 2]" 1
869 1 16 ILE HG12 1 27 TRP HB2 4.860 . 5.350 2.660 2.307 2.998 . 0 0 "[ . 1 . 2]" 1
870 1 16 ILE HG12 1 27 TRP HB3 5.040 . 5.540 3.373 3.179 3.522 . 0 0 "[ . 1 . 2]" 1
871 1 50 ALA MB 1 51 MET HG2 5.280 . 5.810 4.036 3.246 4.475 . 0 0 "[ . 1 . 2]" 1
872 1 50 ALA MB 1 51 MET HG3 5.280 . 5.810 3.704 3.127 5.031 . 0 0 "[ . 1 . 2]" 1
873 1 56 ARG HA 1 56 ARG HD2 4.920 . 5.410 4.586 3.515 4.879 . 0 0 "[ . 1 . 2]" 1
874 1 16 ILE HA 1 17 GLU HG3 4.800 . 5.280 4.477 3.419 5.294 0.014 8 0 "[ . 1 . 2]" 1
875 1 16 ILE HA 1 17 GLU HG2 4.800 . 5.280 4.297 3.533 5.333 0.053 14 0 "[ . 1 . 2]" 1
876 1 13 ILE HA 1 30 LEU MD1 4.170 . 4.590 3.277 2.821 3.723 . 0 0 "[ . 1 . 2]" 1
877 1 13 ILE HA 1 14 VAL QG 4.060 . 4.470 3.566 3.383 3.755 . 0 0 "[ . 1 . 2]" 1
878 1 54 LYS HA 1 56 ARG H 4.900 . 5.390 4.499 3.971 4.884 . 0 0 "[ . 1 . 2]" 1
879 1 54 LYS HA 1 54 LYS HG2 3.980 . 4.380 3.258 3.050 3.478 . 0 0 "[ . 1 . 2]" 1
880 1 15 THR HA 1 16 ILE MG 4.220 . 4.640 3.771 3.642 3.890 . 0 0 "[ . 1 . 2]" 1
881 1 15 THR HA 1 16 ILE HA 4.500 . 4.950 4.432 4.425 4.446 . 0 0 "[ . 1 . 2]" 1
882 1 12 TYR HA 1 54 LYS HE3 4.480 . 4.930 3.892 2.824 5.049 0.119 15 0 "[ . 1 . 2]" 1
883 1 53 ALA HA 1 56 ARG HD2 5.090 . 5.600 4.132 2.299 5.641 0.041 11 0 "[ . 1 . 2]" 1
884 1 53 ALA HA 1 56 ARG HD3 5.090 . 5.600 3.997 2.295 5.370 . 0 0 "[ . 1 . 2]" 1
885 1 29 GLN HA 1 29 GLN HG3 3.800 . 4.180 3.191 3.090 3.276 . 0 0 "[ . 1 . 2]" 1
886 1 43 GLU HA 1 43 GLU HG3 4.040 . 4.440 2.990 2.496 3.201 . 0 0 "[ . 1 . 2]" 1
887 1 43 GLU HA 1 43 GLU HG2 4.070 . 4.480 2.789 2.508 3.639 . 0 0 "[ . 1 . 2]" 1
888 1 32 ALA MB 1 39 SER HB3 5.070 . 5.580 3.436 2.242 4.397 . 0 0 "[ . 1 . 2]" 1
889 1 29 GLN HA 1 43 GLU HB2 4.670 . 5.140 5.005 4.708 5.163 0.023 6 0 "[ . 1 . 2]" 1
890 1 5 PRO HA 1 6 PRO HD2 3.470 . 3.820 2.506 1.971 2.986 . 0 0 "[ . 1 . 2]" 1
891 1 5 PRO HA 1 6 PRO HD3 3.470 . 3.820 2.219 1.878 2.581 . 0 0 "[ . 1 . 2]" 1
892 1 16 ILE HG12 1 29 GLN HG3 4.900 . 5.390 2.587 2.424 2.729 . 0 0 "[ . 1 . 2]" 1
893 1 44 HIS HA 1 49 GLU HB2 5.540 . 6.090 4.747 4.380 6.107 0.017 13 0 "[ . 1 . 2]" 1
894 1 34 HIS HA 1 35 PRO HB2 4.810 . 5.290 4.495 4.415 4.692 . 0 0 "[ . 1 . 2]" 1
895 1 25 VAL MG1 1 26 THR HA 4.670 . 5.140 4.123 4.024 4.278 . 0 0 "[ . 1 . 2]" 1
896 1 25 VAL HB 1 26 THR HA 6.000 . 6.600 5.129 5.061 5.230 . 0 0 "[ . 1 . 2]" 1
897 1 7 TYR HA 1 8 PRO HD2 3.780 . 4.160 2.467 2.122 2.883 . 0 0 "[ . 1 . 2]" 1
898 1 7 TYR HA 1 8 PRO HD3 3.780 . 4.160 2.243 1.919 2.697 . 0 0 "[ . 1 . 2]" 1
899 1 4 LYS HA 1 5 PRO HD3 3.240 . 3.560 2.219 1.934 2.665 . 0 0 "[ . 1 . 2]" 1
900 1 16 ILE HB 1 16 ILE MD 3.340 . 3.670 2.410 2.380 2.438 . 0 0 "[ . 1 . 2]" 1
901 1 20 LYS H 1 24 THR MG 4.450 . 4.890 3.938 3.395 4.462 . 0 0 "[ . 1 . 2]" 1
902 1 20 LYS HA 1 20 LYS HD2 5.220 . 5.740 4.203 2.092 4.883 . 0 0 "[ . 1 . 2]" 1
903 1 20 LYS HA 1 20 LYS HD3 5.220 . 5.740 4.068 2.047 4.721 . 0 0 "[ . 1 . 2]" 1
904 1 18 LYS HA 1 24 THR MG 5.180 . 5.700 4.466 3.854 4.920 . 0 0 "[ . 1 . 2]" 1
905 1 13 ILE H 1 14 VAL QG 4.470 . 4.920 4.400 4.227 4.569 . 0 0 "[ . 1 . 2]" 1
906 1 25 VAL MG2 1 27 TRP HD1 4.860 . 5.350 4.703 4.441 5.012 . 0 0 "[ . 1 . 2]" 1
907 1 28 TYR QD 1 47 ALA MB 3.910 . 4.300 3.535 3.307 3.883 . 0 0 "[ . 1 . 2]" 1
908 1 14 VAL QG 1 29 GLN HB2 . . 4.170 3.251 2.966 3.526 . 0 0 "[ . 1 . 2]" 1
909 1 29 GLN HE21 1 43 GLU HG2 4.510 . 4.960 2.703 2.051 3.325 . 0 0 "[ . 1 . 2]" 1
910 1 40 LEU MD1 1 41 ILE MD 6.000 . 6.600 4.937 3.815 5.234 . 0 0 "[ . 1 . 2]" 1
911 1 30 LEU MD1 1 54 LYS HD2 4.550 . 5.010 3.098 2.597 3.598 . 0 0 "[ . 1 . 2]" 1
912 1 30 LEU MD1 1 41 ILE MD 4.740 . 5.210 5.118 3.849 5.239 0.029 18 0 "[ . 1 . 2]" 1
913 1 29 GLN HA 1 43 GLU HG2 4.680 . 5.150 3.160 2.398 4.696 . 0 0 "[ . 1 . 2]" 1
914 1 48 GLN HA 1 51 MET HB3 4.060 . 4.470 4.381 4.008 4.524 0.054 8 0 "[ . 1 . 2]" 1
915 1 48 GLN HA 1 51 MET HB2 3.910 . 4.300 2.755 2.412 2.891 . 0 0 "[ . 1 . 2]" 1
916 1 11 ALA MB 1 54 LYS HD2 4.440 . 4.880 3.716 2.982 4.228 . 0 0 "[ . 1 . 2]" 1
917 1 55 LYS HA 1 58 GLU HB2 4.440 . 4.880 2.951 2.432 3.529 . 0 0 "[ . 1 . 2]" 1
918 1 55 LYS HA 1 58 GLU HB3 4.820 . 5.300 4.639 4.102 5.226 . 0 0 "[ . 1 . 2]" 1
919 1 59 ASP HA 1 60 PRO HD2 3.690 . 4.060 2.547 2.197 3.138 . 0 0 "[ . 1 . 2]" 1
920 1 59 ASP HA 1 60 PRO HD3 3.690 . 4.060 2.304 2.043 2.612 . 0 0 "[ . 1 . 2]" 1
921 1 57 TYR H 1 58 GLU HB2 4.790 . 5.270 4.822 4.686 4.948 . 0 0 "[ . 1 . 2]" 1
922 1 17 GLU HB2 1 24 THR MG 3.870 . 4.260 3.061 2.373 3.608 . 0 0 "[ . 1 . 2]" 1
923 1 28 TYR HB2 1 28 TYR QD 3.250 . 3.580 2.479 2.410 2.520 . 0 0 "[ . 1 . 2]" 1
924 1 28 TYR HB3 1 28 TYR QD 3.250 . 3.580 2.356 2.317 2.412 . 0 0 "[ . 1 . 2]" 1
925 1 12 TYR HB2 1 12 TYR QD 3.280 . 3.610 2.384 2.316 2.450 . 0 0 "[ . 1 . 2]" 1
926 1 12 TYR HB3 1 12 TYR QD 3.230 . 3.550 2.445 2.371 2.555 . 0 0 "[ . 1 . 2]" 1
927 1 12 TYR QE 1 31 ARG HD2 3.980 . 4.380 3.205 2.495 4.366 . 0 0 "[ . 1 . 2]" 1
928 1 12 TYR QE 1 31 ARG HD3 3.980 . 4.380 3.782 2.540 4.337 . 0 0 "[ . 1 . 2]" 1
929 1 57 TYR HB2 1 57 TYR HD1 3.370 . 3.710 2.513 2.442 2.611 . 0 0 "[ . 1 . 2]" 1
930 1 57 TYR HB3 1 57 TYR HD2 3.370 . 3.710 2.395 2.343 2.449 . 0 0 "[ . 1 . 2]" 1
931 1 28 TYR H 1 28 TYR QE 4.760 . 5.240 4.441 4.204 4.768 . 0 0 "[ . 1 . 2]" 1
932 1 32 ALA MB 1 57 TYR HE2 3.890 . 4.280 2.881 2.114 3.266 . 0 0 "[ . 1 . 2]" 1
933 1 11 ALA MB 1 57 TYR HE2 3.760 . 4.140 2.955 2.463 3.652 . 0 0 "[ . 1 . 2]" 1
934 1 28 TYR QE 1 47 ALA HA 4.530 . 4.980 3.974 3.526 4.480 . 0 0 "[ . 1 . 2]" 1
935 1 28 TYR HB2 1 28 TYR QE 4.760 . 5.240 4.446 4.433 4.458 . 0 0 "[ . 1 . 2]" 1
936 1 28 TYR HB3 1 28 TYR QE 4.820 . 5.300 4.414 4.393 4.430 . 0 0 "[ . 1 . 2]" 1
937 1 27 TRP HZ2 1 45 PRO HB3 5.380 . 5.920 4.439 3.607 5.833 . 0 0 "[ . 1 . 2]" 1
938 1 25 VAL MG1 1 27 TRP HZ2 4.760 . 5.240 3.756 2.900 4.464 . 0 0 "[ . 1 . 2]" 1
939 1 25 VAL H 1 27 TRP HD1 4.860 . 5.350 4.449 4.224 5.045 . 0 0 "[ . 1 . 2]" 1
940 1 27 TRP HA 1 27 TRP HD1 4.110 . 4.520 3.936 3.699 4.233 . 0 0 "[ . 1 . 2]" 1
941 1 25 VAL HB 1 27 TRP HD1 3.810 . 4.190 3.169 2.842 3.556 . 0 0 "[ . 1 . 2]" 1
942 1 18 LYS HB2 1 27 TRP HD1 3.710 . 4.080 2.615 2.120 2.814 . 0 0 "[ . 1 . 2]" 1
943 1 18 LYS HG3 1 27 TRP HD1 3.510 . 3.860 2.820 2.409 3.288 . 0 0 "[ . 1 . 2]" 1
944 1 25 VAL MG1 1 27 TRP HD1 3.750 . 4.130 3.148 2.593 3.602 . 0 0 "[ . 1 . 2]" 1
945 1 16 ILE MD 1 27 TRP HD1 4.500 . 4.950 4.336 3.557 4.914 . 0 0 "[ . 1 . 2]" 1
946 1 27 TRP HH2 1 45 PRO HA 4.950 . 5.440 5.275 4.432 5.484 0.044 12 0 "[ . 1 . 2]" 1
947 1 27 TRP HH2 1 45 PRO HB3 5.080 . 5.590 3.972 3.537 4.993 . 0 0 "[ . 1 . 2]" 1
948 1 57 TYR HA 1 57 TYR HD1 3.540 . 3.890 2.891 2.635 3.058 . 0 0 "[ . 1 . 2]" 1
949 1 57 TYR HD2 1 58 GLU HG2 4.080 . 4.490 2.908 2.249 3.705 . 0 0 "[ . 1 . 2]" 1
950 1 57 TYR HD2 1 58 GLU HG3 4.080 . 4.490 2.899 2.016 4.251 . 0 0 "[ . 1 . 2]" 1
951 1 11 ALA MB 1 57 TYR HD2 3.270 . 3.600 2.308 1.878 3.218 . 0 0 "[ . 1 . 2]" 1
952 1 41 ILE MG 1 57 TYR HD1 3.620 . 3.980 3.385 2.715 3.996 0.016 19 0 "[ . 1 . 2]" 1
953 1 41 ILE MD 1 57 TYR HD1 4.420 . 4.860 3.390 2.829 4.874 0.014 15 0 "[ . 1 . 2]" 1
954 1 27 TRP HE3 1 28 TYR HB2 5.170 . 5.690 5.427 5.180 5.736 0.046 3 0 "[ . 1 . 2]" 1
955 1 12 TYR QD 1 13 ILE HA 5.210 . 5.730 4.363 3.750 4.874 . 0 0 "[ . 1 . 2]" 1
956 1 11 ALA HA 1 12 TYR QD 3.990 . 4.390 3.152 2.850 3.385 . 0 0 "[ . 1 . 2]" 1
957 1 12 TYR HA 1 12 TYR QD 4.140 . 4.550 3.750 3.723 3.763 . 0 0 "[ . 1 . 2]" 1
958 1 12 TYR QD 1 32 ALA HA 4.080 . 4.490 3.292 2.926 3.822 . 0 0 "[ . 1 . 2]" 1
959 1 12 TYR QD 1 14 VAL HB 5.040 . 5.540 5.007 4.750 5.174 . 0 0 "[ . 1 . 2]" 1
960 1 12 TYR QD 1 32 ALA MB 4.780 . 5.260 4.653 4.395 5.085 . 0 0 "[ . 1 . 2]" 1
961 1 11 ALA MB 1 12 TYR QD 4.370 . 4.810 4.319 3.962 4.605 . 0 0 "[ . 1 . 2]" 1
962 1 12 TYR QD 1 14 VAL QG 3.120 . 3.430 2.400 2.177 2.624 . 0 0 "[ . 1 . 2]" 1
963 1 28 TYR QD 1 47 ALA H 5.580 . 6.140 4.146 3.695 4.400 . 0 0 "[ . 1 . 2]" 1
964 1 15 THR HA 1 28 TYR QD 4.840 . 5.320 3.958 3.647 4.387 . 0 0 "[ . 1 . 2]" 1
965 1 28 TYR HA 1 28 TYR QD 3.700 . 4.070 3.097 2.933 3.164 . 0 0 "[ . 1 . 2]" 1
966 1 27 TRP HA 1 28 TYR QD 3.640 . 4.000 3.214 2.956 3.614 . 0 0 "[ . 1 . 2]" 1
967 1 28 TYR QD 1 45 PRO HA 4.400 . 4.840 3.354 3.178 3.850 . 0 0 "[ . 1 . 2]" 1
968 1 28 TYR QD 1 50 ALA MB 3.960 . 4.360 3.616 3.231 3.975 . 0 0 "[ . 1 . 2]" 1
969 1 28 TYR QD 1 46 THR MG 5.110 . 5.620 4.981 4.734 5.250 . 0 0 "[ . 1 . 2]" 1
970 1 13 ILE MG 1 28 TYR QD 3.010 . 3.310 2.147 1.934 2.411 . 0 0 "[ . 1 . 2]" 1
971 1 57 TYR HA 1 57 TYR HE1 5.120 . 5.630 4.951 4.774 5.074 . 0 0 "[ . 1 . 2]" 1
972 1 26 THR HB 1 28 TYR QE 4.290 . 4.720 3.861 3.233 4.383 . 0 0 "[ . 1 . 2]" 1
973 1 57 TYR HB3 1 57 TYR HE2 4.830 . 5.310 4.668 4.635 4.703 . 0 0 "[ . 1 . 2]" 1
974 1 13 ILE MG 1 28 TYR QE 3.730 . 4.100 3.889 3.667 4.074 . 0 0 "[ . 1 . 2]" 1
975 1 41 ILE MD 1 57 TYR HE1 3.920 . 4.310 2.921 2.427 4.046 . 0 0 "[ . 1 . 2]" 1
976 1 12 TYR QE 1 33 ASP H 4.180 . 4.600 3.104 2.456 4.101 . 0 0 "[ . 1 . 2]" 1
977 1 11 ALA HA 1 12 TYR QE 4.660 . 5.130 4.435 4.187 4.720 . 0 0 "[ . 1 . 2]" 1
978 1 12 TYR QE 1 32 ALA HA 3.670 . 4.040 3.176 2.492 3.929 . 0 0 "[ . 1 . 2]" 1
979 1 12 TYR QE 1 33 ASP HB3 5.110 . 5.620 4.482 3.448 5.555 . 0 0 "[ . 1 . 2]" 1
980 1 15 THR MG 1 28 TYR QD 3.290 . 3.620 2.557 2.272 2.745 . 0 0 "[ . 1 . 2]" 1
981 1 28 TYR QD 1 46 THR HA 4.000 . 4.400 3.555 3.242 3.835 . 0 0 "[ . 1 . 2]" 1
982 1 27 TRP HE3 1 43 GLU HB2 4.410 . 4.850 3.842 3.412 4.331 . 0 0 "[ . 1 . 2]" 1
983 1 26 THR MG 1 28 TYR QE 3.440 . 3.780 3.055 2.461 3.633 . 0 0 "[ . 1 . 2]" 1
984 1 13 ILE MD 1 28 TYR QD 4.070 . 4.480 3.799 3.400 4.196 . 0 0 "[ . 1 . 2]" 1
985 1 12 TYR QD 1 14 VAL HA 4.560 . 5.020 4.442 4.159 4.951 . 0 0 "[ . 1 . 2]" 1
986 1 18 LYS HB3 1 27 TRP HD1 4.000 . 4.400 4.266 3.874 4.448 0.048 7 0 "[ . 1 . 2]" 1
987 1 17 GLU HA 1 27 TRP HD1 4.760 . 5.240 3.790 3.264 4.877 . 0 0 "[ . 1 . 2]" 1
988 1 27 TRP HA 1 28 TYR QE 4.620 . 5.080 4.484 4.250 4.879 . 0 0 "[ . 1 . 2]" 1
989 1 12 TYR QE 1 32 ALA MB 4.540 . 4.990 4.381 3.905 4.952 . 0 0 "[ . 1 . 2]" 1
990 1 57 TYR HD2 1 58 GLU H 4.320 . 4.750 3.468 3.074 4.016 . 0 0 "[ . 1 . 2]" 1
991 1 15 THR MG 1 28 TYR QE 3.170 . 3.490 2.524 2.247 2.826 . 0 0 "[ . 1 . 2]" 1
992 1 7 TYR HA 1 7 TYR HD1 4.770 . 5.250 3.362 2.327 4.199 . 0 0 "[ . 1 . 2]" 1
993 1 4 LYS HA 1 5 PRO QD 2.830 . 3.110 1.998 1.884 2.087 . 0 0 "[ . 1 . 2]" 1
994 1 4 LYS QB 1 5 PRO QD 3.860 . 4.250 3.393 2.427 3.848 . 0 0 "[ . 1 . 2]" 1
995 1 5 PRO HA 1 6 PRO QD 3.020 . 3.320 1.997 1.855 2.159 . 0 0 "[ . 1 . 2]" 1
996 1 5 PRO QB 1 6 PRO QD 3.370 . 3.710 2.656 2.296 3.126 . 0 0 "[ . 1 . 2]" 1
997 1 6 PRO QB 1 7 TYR H 3.900 . 4.290 3.084 2.301 4.007 . 0 0 "[ . 1 . 2]" 1
998 1 6 PRO QG 1 7 TYR H 4.520 . 4.970 4.140 2.148 4.961 . 0 0 "[ . 1 . 2]" 1
999 1 6 PRO QD 1 7 TYR H 4.870 . 5.360 4.464 2.782 5.035 . 0 0 "[ . 1 . 2]" 1
1000 1 7 TYR H 1 7 TYR QB 3.620 . 3.980 2.675 2.298 3.240 . 0 0 "[ . 1 . 2]" 1
1001 1 7 TYR H 1 8 PRO QD 5.590 . 6.150 3.733 2.124 4.417 . 0 0 "[ . 1 . 2]" 1
1002 1 7 TYR HA 1 8 PRO QD 3.320 . 3.650 2.038 1.876 2.347 . 0 0 "[ . 1 . 2]" 1
1003 1 7 TYR QB 1 8 PRO QD 4.140 . 4.550 3.219 2.209 3.864 . 0 0 "[ . 1 . 2]" 1
1004 1 8 PRO HA 1 9 ARG QB 4.410 . 4.850 4.400 3.927 4.842 . 0 0 "[ . 1 . 2]" 1
1005 1 9 ARG H 1 9 ARG QG 4.260 . 4.690 2.914 1.877 4.074 . 0 0 "[ . 1 . 2]" 1
1006 1 9 ARG HA 1 9 ARG QG 3.730 . 4.100 2.947 2.283 3.506 . 0 0 "[ . 1 . 2]" 1
1007 1 9 ARG HA 1 9 ARG QD 4.650 . 5.120 3.671 2.014 4.641 . 0 0 "[ . 1 . 2]" 1
1008 1 9 ARG QB 1 10 GLU H 4.230 . 4.650 3.430 2.554 4.034 . 0 0 "[ . 1 . 2]" 1
1009 1 9 ARG QB 1 57 TYR HE2 4.290 . 4.720 3.492 2.075 4.766 0.046 8 0 "[ . 1 . 2]" 1
1010 1 10 GLU H 1 10 GLU QB 3.420 . 3.760 2.728 2.304 3.238 . 0 0 "[ . 1 . 2]" 1
1011 1 10 GLU H 1 10 GLU QG 4.680 . 5.150 3.286 2.140 4.226 . 0 0 "[ . 1 . 2]" 1
1012 1 10 GLU HA 1 58 GLU QG 4.210 . 4.630 2.811 1.790 4.346 0.010 14 0 "[ . 1 . 2]" 1
1013 1 10 GLU QB 1 11 ALA H 3.940 . 4.330 3.190 2.406 3.942 . 0 0 "[ . 1 . 2]" 1
1014 1 10 GLU QG 1 11 ALA H 4.550 . 5.010 3.489 2.246 4.526 . 0 0 "[ . 1 . 2]" 1
1015 1 11 ALA H 1 54 LYS QE 5.210 . 5.730 3.885 2.420 5.107 . 0 0 "[ . 1 . 2]" 1
1016 1 11 ALA H 1 58 GLU QG 4.190 . 4.610 2.941 2.172 4.169 . 0 0 "[ . 1 . 2]" 1
1017 1 11 ALA MB 1 41 ILE QG 4.100 . 4.510 3.624 2.937 4.283 . 0 0 "[ . 1 . 2]" 1
1018 1 11 ALA MB 1 58 GLU QG 4.470 . 4.920 2.901 2.162 4.065 . 0 0 "[ . 1 . 2]" 1
1019 1 12 TYR H 1 31 ARG QB 4.570 . 5.030 4.015 3.634 4.427 . 0 0 "[ . 1 . 2]" 1
1020 1 12 TYR HA 1 54 LYS QG 5.420 . 5.960 4.327 3.661 5.235 . 0 0 "[ . 1 . 2]" 1
1021 1 12 TYR HA 1 54 LYS QE 3.930 . 4.320 3.074 2.060 3.714 . 0 0 "[ . 1 . 2]" 1
1022 1 12 TYR QD 1 31 ARG QB 5.320 . 5.850 3.505 3.281 3.705 . 0 0 "[ . 1 . 2]" 1
1023 1 12 TYR QE 1 31 ARG QB . . 4.500 2.753 2.422 3.052 . 0 0 "[ . 1 . 2]" 1
1024 1 12 TYR QE 1 33 ASP QB 4.490 . 4.940 3.586 2.286 4.158 . 0 0 "[ . 1 . 2]" 1
1025 1 13 ILE HB 1 51 MET QG 5.580 . 6.140 5.179 4.843 5.609 . 0 0 "[ . 1 . 2]" 1
1026 1 13 ILE MG 1 51 MET QG 5.640 . 6.200 4.379 4.090 4.843 . 0 0 "[ . 1 . 2]" 1
1027 1 13 ILE HG12 1 54 LYS QB 4.750 . 5.220 3.712 3.170 4.290 . 0 0 "[ . 1 . 2]" 1
1028 1 13 ILE MD 1 51 MET QG 3.390 . 3.730 2.302 2.045 2.634 . 0 0 "[ . 1 . 2]" 1
1029 1 13 ILE MD 1 54 LYS QB 4.080 . 4.490 3.215 2.710 3.808 . 0 0 "[ . 1 . 2]" 1
1030 1 13 ILE MD 1 54 LYS QE 4.130 . 4.540 4.181 3.679 4.583 0.043 7 0 "[ . 1 . 2]" 1
1031 1 14 VAL QG 1 31 ARG QD 4.120 . 4.530 2.053 1.778 2.525 0.022 16 0 "[ . 1 . 2]" 1
1032 1 14 VAL QG 1 31 ARG QG 3.940 . 4.330 2.993 2.482 3.581 . 0 0 "[ . 1 . 2]" 1
1033 1 16 ILE H 1 17 GLU QG 5.810 . 6.390 5.366 4.572 6.003 . 0 0 "[ . 1 . 2]" 1
1034 1 16 ILE HA 1 17 GLU QB 4.550 . 5.010 4.376 4.231 4.565 . 0 0 "[ . 1 . 2]" 1
1035 1 16 ILE HB 1 18 LYS QE 5.000 . 5.500 4.755 4.098 5.410 . 0 0 "[ . 1 . 2]" 1
1036 1 16 ILE MG 1 29 GLN QE 3.710 . 4.080 3.179 2.803 3.488 . 0 0 "[ . 1 . 2]" 1
1037 1 16 ILE HG12 1 29 GLN QE 5.110 . 5.620 3.999 3.788 4.256 . 0 0 "[ . 1 . 2]" 1
1038 1 16 ILE HG13 1 29 GLN QE 5.090 . 5.600 4.678 4.498 4.854 . 0 0 "[ . 1 . 2]" 1
1039 1 16 ILE MD 1 18 LYS QE 3.190 . 3.510 2.063 1.788 3.092 0.012 6 0 "[ . 1 . 2]" 1
1040 1 17 GLU H 1 17 GLU QB 3.250 . 3.580 2.848 2.500 3.168 . 0 0 "[ . 1 . 2]" 1
1041 1 17 GLU H 1 17 GLU QG 3.340 . 3.670 2.585 2.090 3.275 . 0 0 "[ . 1 . 2]" 1
1042 1 17 GLU HA 1 17 GLU QG 3.640 . 4.000 2.928 2.378 3.360 . 0 0 "[ . 1 . 2]" 1
1043 1 17 GLU QB 1 18 LYS H 3.450 . 3.790 3.165 2.762 3.525 . 0 0 "[ . 1 . 2]" 1
1044 1 17 GLU QB 1 24 THR HB 3.370 . 3.710 2.006 1.778 2.540 0.022 7 0 "[ . 1 . 2]" 1
1045 1 17 GLU QB 1 25 VAL H 4.720 . 5.190 3.873 3.251 4.270 . 0 0 "[ . 1 . 2]" 1
1046 1 17 GLU QG 1 18 LYS H 4.720 . 5.190 4.221 4.052 4.836 . 0 0 "[ . 1 . 2]" 1
1047 1 17 GLU QG 1 24 THR HB 4.530 . 4.980 3.711 3.175 4.411 . 0 0 "[ . 1 . 2]" 1
1048 1 17 GLU QG 1 24 THR MG 4.120 . 4.530 3.583 2.639 4.223 . 0 0 "[ . 1 . 2]" 1
1049 1 17 GLU QG 1 26 THR HA 5.790 . 6.370 4.247 2.389 5.978 . 0 0 "[ . 1 . 2]" 1
1050 1 18 LYS HA 1 18 LYS QD 4.820 . 5.300 4.012 3.942 4.280 . 0 0 "[ . 1 . 2]" 1
1051 1 18 LYS HB2 1 18 LYS QE 4.340 . 4.770 3.908 2.164 4.262 . 0 0 "[ . 1 . 2]" 1
1052 1 18 LYS HB3 1 18 LYS QD 3.500 . 3.850 2.402 2.310 2.802 . 0 0 "[ . 1 . 2]" 1
1053 1 18 LYS HB3 1 18 LYS QE 3.990 . 4.390 3.959 2.764 4.228 . 0 0 "[ . 1 . 2]" 1
1054 1 18 LYS QE 1 18 LYS HG2 3.640 . 4.000 2.642 2.359 3.330 . 0 0 "[ . 1 . 2]" 1
1055 1 18 LYS QE 1 18 LYS HG3 3.430 . 3.770 2.505 2.379 3.417 . 0 0 "[ . 1 . 2]" 1
1056 1 18 LYS QD 1 27 TRP HD1 4.300 . 4.730 3.088 2.622 4.211 . 0 0 "[ . 1 . 2]" 1
1057 1 18 LYS QD 1 27 TRP HE1 4.470 . 4.920 3.187 2.665 4.926 0.006 13 0 "[ . 1 . 2]" 1
1058 1 18 LYS QE 1 27 TRP HB2 4.540 . 4.990 3.225 2.473 4.856 . 0 0 "[ . 1 . 2]" 1
1059 1 18 LYS QE 1 27 TRP HB3 4.710 . 5.180 3.680 2.873 5.243 0.063 5 0 "[ . 1 . 2]" 1
1060 1 18 LYS QE 1 27 TRP HD1 4.460 . 4.910 3.943 2.597 4.804 . 0 0 "[ . 1 . 2]" 1
1061 1 18 LYS QE 1 29 GLN QE 4.190 . 4.610 3.697 3.201 4.549 . 0 0 "[ . 1 . 2]" 1
1062 1 20 LYS H 1 20 LYS QG 3.840 . 4.220 2.543 2.094 3.448 . 0 0 "[ . 1 . 2]" 1
1063 1 20 LYS HA 1 20 LYS QG 3.500 . 3.850 2.568 2.416 3.013 . 0 0 "[ . 1 . 2]" 1
1064 1 20 LYS HA 1 20 LYS QD 4.490 . 4.940 3.606 2.013 4.273 . 0 0 "[ . 1 . 2]" 1
1065 1 20 LYS HA 1 21 PRO QG 4.390 . 4.830 3.932 3.827 4.077 . 0 0 "[ . 1 . 2]" 1
1066 1 20 LYS HB2 1 21 PRO QG 5.560 . 6.120 5.312 4.641 5.727 . 0 0 "[ . 1 . 2]" 1
1067 1 20 LYS HB2 1 23 GLN QB 4.980 . 5.480 2.368 1.795 3.122 0.005 7 0 "[ . 1 . 2]" 1
1068 1 20 LYS QG 1 21 PRO HD2 4.510 . 4.960 3.692 3.185 4.493 . 0 0 "[ . 1 . 2]" 1
1069 1 22 GLY QA 1 23 GLN HG2 4.240 . 4.660 3.711 3.534 3.856 . 0 0 "[ . 1 . 2]" 1
1070 1 23 GLN H 1 23 GLN QB 3.260 . 3.590 2.458 2.396 2.535 . 0 0 "[ . 1 . 2]" 1
1071 1 23 GLN HA 1 23 GLN QE 3.260 . 3.590 2.481 1.759 3.622 0.041 2 0 "[ . 1 . 2]" 1
1072 1 23 GLN QB 1 24 THR H 4.010 . 4.410 3.857 3.791 3.920 . 0 0 "[ . 1 . 2]" 1
1073 1 27 TRP HB3 1 43 GLU QB 5.180 . 5.700 3.201 2.261 3.960 . 0 0 "[ . 1 . 2]" 1
1074 1 27 TRP HE3 1 43 GLU QB 3.880 . 4.270 2.677 2.350 3.064 . 0 0 "[ . 1 . 2]" 1
1075 1 27 TRP HZ3 1 45 PRO QD 4.070 . 4.480 2.484 2.169 3.051 . 0 0 "[ . 1 . 2]" 1
1076 1 27 TRP HH2 1 43 GLU QB 5.810 . 6.390 5.399 4.959 5.878 . 0 0 "[ . 1 . 2]" 1
1077 1 27 TRP HH2 1 45 PRO QD 4.790 . 5.270 3.757 3.186 4.685 . 0 0 "[ . 1 . 2]" 1
1078 1 29 GLN HB3 1 29 GLN QE 4.030 . 4.430 3.727 3.714 3.744 . 0 0 "[ . 1 . 2]" 1
1079 1 29 GLN QE 1 29 GLN HG2 3.090 . 3.400 2.215 2.190 2.236 . 0 0 "[ . 1 . 2]" 1
1080 1 29 GLN QE 1 40 LEU MD1 3.840 . 4.220 3.427 2.809 3.699 . 0 0 "[ . 1 . 2]" 1
1081 1 29 GLN QE 1 40 LEU MD2 3.810 . 4.190 2.883 2.404 3.798 . 0 0 "[ . 1 . 2]" 1
1082 1 29 GLN QE 1 43 GLU HG3 4.670 . 5.140 3.624 2.512 4.303 . 0 0 "[ . 1 . 2]" 1
1083 1 30 LEU H 1 31 ARG QG 5.810 . 6.390 4.303 4.087 4.703 . 0 0 "[ . 1 . 2]" 1
1084 1 30 LEU MD1 1 54 LYS QB 3.250 . 3.580 2.127 1.919 2.324 . 0 0 "[ . 1 . 2]" 1
1085 1 30 LEU MD1 1 54 LYS QG 3.280 . 3.610 2.661 2.211 3.101 . 0 0 "[ . 1 . 2]" 1
1086 1 30 LEU MD1 1 54 LYS QE 5.140 . 5.650 4.075 3.313 5.015 . 0 0 "[ . 1 . 2]" 1
1087 1 30 LEU MD2 1 42 SER QB 4.760 . 5.240 3.591 2.612 4.380 . 0 0 "[ . 1 . 2]" 1
1088 1 30 LEU MD2 1 54 LYS QB 4.120 . 4.530 3.103 2.610 3.613 . 0 0 "[ . 1 . 2]" 1
1089 1 31 ARG H 1 31 ARG QB 3.660 . 4.030 2.580 2.448 2.719 . 0 0 "[ . 1 . 2]" 1
1090 1 31 ARG H 1 31 ARG QG 3.970 . 4.370 2.817 2.438 3.030 . 0 0 "[ . 1 . 2]" 1
1091 1 31 ARG H 1 31 ARG QD 5.080 . 5.590 4.262 3.951 4.455 . 0 0 "[ . 1 . 2]" 1
1092 1 31 ARG HA 1 31 ARG QG 3.570 . 3.930 2.467 2.409 2.603 . 0 0 "[ . 1 . 2]" 1
1093 1 31 ARG HA 1 41 ILE QG 3.890 . 4.280 3.017 2.544 4.320 0.040 15 0 "[ . 1 . 2]" 1
1094 1 31 ARG QB 1 31 ARG QD 3.270 . 3.600 2.152 2.111 2.314 . 0 0 "[ . 1 . 2]" 1
1095 1 31 ARG QB 1 31 ARG HE 4.390 . 4.830 3.831 2.328 4.078 . 0 0 "[ . 1 . 2]" 1
1096 1 31 ARG QB 1 32 ALA H 3.430 . 3.770 2.550 2.241 2.978 . 0 0 "[ . 1 . 2]" 1
1097 1 31 ARG HE 1 31 ARG QG 3.640 . 4.000 2.420 2.278 2.734 . 0 0 "[ . 1 . 2]" 1
1098 1 31 ARG QG 1 32 ALA H 5.530 . 6.080 3.971 3.781 4.351 . 0 0 "[ . 1 . 2]" 1
1099 1 31 ARG QG 1 40 LEU HA 3.430 . 3.770 2.410 2.037 3.050 . 0 0 "[ . 1 . 2]" 1
1100 1 31 ARG QG 1 40 LEU MD1 3.810 . 4.190 2.418 2.074 3.138 . 0 0 "[ . 1 . 2]" 1
1101 1 31 ARG QD 1 40 LEU HA 5.040 . 5.540 4.375 3.963 5.181 . 0 0 "[ . 1 . 2]" 1
1102 1 32 ALA H 1 39 SER QB 4.090 . 4.500 3.089 2.517 3.745 . 0 0 "[ . 1 . 2]" 1
1103 1 32 ALA H 1 41 ILE QG 4.550 . 5.010 3.673 2.823 4.864 . 0 0 "[ . 1 . 2]" 1
1104 1 32 ALA MB 1 33 ASP QB 4.570 . 5.030 4.187 3.834 4.428 . 0 0 "[ . 1 . 2]" 1
1105 1 32 ALA MB 1 39 SER QB 4.440 . 4.880 2.919 2.065 3.704 . 0 0 "[ . 1 . 2]" 1
1106 1 32 ALA MB 1 41 ILE QG 3.740 . 4.110 3.017 2.361 3.754 . 0 0 "[ . 1 . 2]" 1
1107 1 33 ASP H 1 33 ASP QB 3.540 . 3.890 2.404 2.232 2.632 . 0 0 "[ . 1 . 2]" 1
1108 1 33 ASP QB 1 34 HIS H 3.380 . 3.720 2.987 2.273 3.523 . 0 0 "[ . 1 . 2]" 1
1109 1 33 ASP QB 1 37 PRO HA 4.800 . 5.280 4.237 3.529 5.090 . 0 0 "[ . 1 . 2]" 1
1110 1 34 HIS H 1 34 HIS QB 3.370 . 3.710 2.600 2.464 2.734 . 0 0 "[ . 1 . 2]" 1
1111 1 34 HIS H 1 39 SER QB 5.470 . 6.020 4.721 3.699 6.033 0.013 17 0 "[ . 1 . 2]" 1
1112 1 34 HIS QB 1 35 PRO HA 4.010 . 4.410 2.511 1.824 2.876 . 0 0 "[ . 1 . 2]" 1
1113 1 35 PRO HB2 1 36 LYS QG 4.470 . 4.920 3.025 2.390 4.221 . 0 0 "[ . 1 . 2]" 1
1114 1 35 PRO QG 1 36 LYS H 3.760 . 4.140 2.831 1.938 3.866 . 0 0 "[ . 1 . 2]" 1
1115 1 35 PRO QD 1 36 LYS H 3.570 . 3.930 2.553 2.146 3.057 . 0 0 "[ . 1 . 2]" 1
1116 1 36 LYS H 1 36 LYS QB 3.500 . 3.850 2.624 2.375 3.211 . 0 0 "[ . 1 . 2]" 1
1117 1 36 LYS H 1 36 LYS QG 4.280 . 4.710 2.978 2.414 3.623 . 0 0 "[ . 1 . 2]" 1
1118 1 36 LYS H 1 39 SER QB 4.680 . 5.150 3.112 2.182 4.123 . 0 0 "[ . 1 . 2]" 1
1119 1 36 LYS QB 1 37 PRO HD3 4.210 . 4.630 3.539 2.962 4.102 . 0 0 "[ . 1 . 2]" 1
1120 1 36 LYS QB 1 38 ASP H 4.610 . 5.070 2.665 2.377 3.407 . 0 0 "[ . 1 . 2]" 1
1121 1 36 LYS QB 1 39 SER QB 5.190 . 5.710 3.520 2.303 5.012 . 0 0 "[ . 1 . 2]" 1
1122 1 36 LYS QG 1 37 PRO HD2 4.190 . 4.610 3.903 3.096 4.554 . 0 0 "[ . 1 . 2]" 1
1123 1 36 LYS QG 1 37 PRO HD3 5.040 . 5.540 4.398 3.764 5.131 . 0 0 "[ . 1 . 2]" 1
1124 1 36 LYS QD 1 37 PRO HD3 4.660 . 5.130 4.391 3.056 5.215 0.085 12 0 "[ . 1 . 2]" 1
1125 1 37 PRO QG 1 38 ASP H 4.870 . 5.360 3.386 2.300 4.087 . 0 0 "[ . 1 . 2]" 1
1126 1 38 ASP H 1 38 ASP QB 3.610 . 3.970 2.488 2.252 2.789 . 0 0 "[ . 1 . 2]" 1
1127 1 38 ASP QB 1 39 SER H 4.460 . 4.910 3.579 2.986 4.032 . 0 0 "[ . 1 . 2]" 1
1128 1 39 SER H 1 39 SER QB 3.270 . 3.600 2.433 2.280 2.617 . 0 0 "[ . 1 . 2]" 1
1129 1 39 SER QB 1 40 LEU H 3.740 . 4.110 3.744 3.412 4.032 . 0 0 "[ . 1 . 2]" 1
1130 1 39 SER QB 1 41 ILE MD 4.650 . 5.120 3.293 2.710 3.828 . 0 0 "[ . 1 . 2]" 1
1131 1 40 LEU MD2 1 43 GLU QB 5.210 . 5.730 4.174 3.814 4.847 . 0 0 "[ . 1 . 2]" 1
1132 1 41 ILE H 1 41 ILE QG 3.630 . 3.990 2.234 2.054 3.263 . 0 0 "[ . 1 . 2]" 1
1133 1 41 ILE HA 1 41 ILE QG 3.720 . 4.090 2.968 2.385 3.028 . 0 0 "[ . 1 . 2]" 1
1134 1 41 ILE MG 1 42 SER QB 4.340 . 4.770 2.798 2.582 3.150 . 0 0 "[ . 1 . 2]" 1
1135 1 41 ILE QG 1 42 SER H 5.090 . 5.600 3.888 3.828 4.351 . 0 0 "[ . 1 . 2]" 1
1136 1 42 SER QB 1 43 GLU H 3.370 . 3.710 3.194 2.528 3.559 . 0 0 "[ . 1 . 2]" 1
1137 1 43 GLU H 1 43 GLU QB 3.590 . 3.950 2.527 2.442 2.645 . 0 0 "[ . 1 . 2]" 1
1138 1 43 GLU QB 1 44 HIS H 3.670 . 4.040 3.070 2.729 3.374 . 0 0 "[ . 1 . 2]" 1
1139 1 44 HIS H 1 44 HIS QB 3.470 . 3.820 2.676 2.506 2.765 . 0 0 "[ . 1 . 2]" 1
1140 1 44 HIS H 1 45 PRO QD 4.870 . 5.360 4.351 4.272 4.425 . 0 0 "[ . 1 . 2]" 1
1141 1 44 HIS HA 1 45 PRO QD 2.970 . 3.270 2.061 1.861 2.135 . 0 0 "[ . 1 . 2]" 1
1142 1 44 HIS QB 1 45 PRO QD 3.740 . 4.110 2.383 2.132 2.604 . 0 0 "[ . 1 . 2]" 1
1143 1 44 HIS QB 1 46 THR H 3.320 . 3.650 2.710 2.484 3.170 . 0 0 "[ . 1 . 2]" 1
1144 1 44 HIS QB 1 49 GLU H 4.720 . 5.190 4.180 3.991 4.613 . 0 0 "[ . 1 . 2]" 1
1145 1 44 HIS QB 1 49 GLU HB2 4.590 . 5.050 2.262 1.850 3.697 . 0 0 "[ . 1 . 2]" 1
1146 1 44 HIS QB 1 49 GLU HB3 4.050 . 4.460 2.618 1.780 3.011 0.020 5 0 "[ . 1 . 2]" 1
1147 1 44 HIS QB 1 49 GLU QG 4.600 . 5.060 3.531 2.936 4.129 . 0 0 "[ . 1 . 2]" 1
1148 1 44 HIS QB 1 50 ALA H 4.310 . 4.740 3.169 2.920 3.436 . 0 0 "[ . 1 . 2]" 1
1149 1 44 HIS QB 1 50 ALA MB 3.820 . 4.200 2.729 2.066 3.065 . 0 0 "[ . 1 . 2]" 1
1150 1 45 PRO QD 1 46 THR H 3.640 . 4.000 2.660 2.333 2.842 . 0 0 "[ . 1 . 2]" 1
1151 1 46 THR H 1 49 GLU QG 4.070 . 4.480 3.918 2.922 4.475 . 0 0 "[ . 1 . 2]" 1
1152 1 46 THR MG 1 49 GLU QG 4.580 . 5.040 3.644 3.056 4.523 . 0 0 "[ . 1 . 2]" 1
1153 1 47 ALA MB 1 51 MET QG 4.500 . 4.950 3.185 2.892 3.421 . 0 0 "[ . 1 . 2]" 1
1154 1 48 GLN H 1 48 GLN QG 4.100 . 4.510 3.970 3.519 4.069 . 0 0 "[ . 1 . 2]" 1
1155 1 48 GLN HA 1 48 GLN QG 3.510 . 3.860 2.761 2.168 3.157 . 0 0 "[ . 1 . 2]" 1
1156 1 48 GLN HA 1 51 MET QG 4.510 . 4.960 3.424 2.937 3.998 . 0 0 "[ . 1 . 2]" 1
1157 1 48 GLN HE21 1 48 GLN QG 3.090 . 3.400 2.365 2.197 2.851 . 0 0 "[ . 1 . 2]" 1
1158 1 48 GLN QG 1 52 ASP H 4.720 . 5.190 4.578 4.216 5.232 0.042 18 0 "[ . 1 . 2]" 1
1159 1 48 GLN HE21 1 52 ASP QB 4.090 . 4.500 3.035 1.923 4.196 . 0 0 "[ . 1 . 2]" 1
1160 1 48 GLN HE22 1 52 ASP QB 5.140 . 5.650 3.612 1.930 5.009 . 0 0 "[ . 1 . 2]" 1
1161 1 49 GLU H 1 49 GLU QG 3.830 . 4.210 2.446 2.102 3.726 . 0 0 "[ . 1 . 2]" 1
1162 1 49 GLU HA 1 49 GLU QG 3.160 . 3.480 2.502 2.247 2.979 . 0 0 "[ . 1 . 2]" 1
1163 1 49 GLU QG 1 50 ALA H 5.060 . 5.570 4.202 4.031 4.628 . 0 0 "[ . 1 . 2]" 1
1164 1 50 ALA MB 1 51 MET QG 4.520 . 4.970 3.224 3.055 3.443 . 0 0 "[ . 1 . 2]" 1
1165 1 50 ALA MB 1 54 LYS QB 5.350 . 5.890 4.145 3.861 4.338 . 0 0 "[ . 1 . 2]" 1
1166 1 51 MET H 1 51 MET QG 3.210 . 3.530 2.280 2.060 2.443 . 0 0 "[ . 1 . 2]" 1
1167 1 51 MET HA 1 51 MET QG 3.440 . 3.780 2.532 2.383 2.874 . 0 0 "[ . 1 . 2]" 1
1168 1 51 MET QG 1 54 LYS QB 5.610 . 6.170 4.131 3.536 4.617 . 0 0 "[ . 1 . 2]" 1
1169 1 52 ASP H 1 52 ASP QB 2.860 . 3.150 2.253 2.150 2.378 . 0 0 "[ . 1 . 2]" 1
1170 1 52 ASP HA 1 55 LYS QB 3.560 . 3.920 3.306 2.504 3.948 0.028 8 0 "[ . 1 . 2]" 1
1171 1 52 ASP HA 1 55 LYS QG 4.570 . 5.030 3.311 1.988 4.876 . 0 0 "[ . 1 . 2]" 1
1172 1 52 ASP HA 1 55 LYS QD 4.650 . 5.120 3.018 1.791 4.119 0.009 4 0 "[ . 1 . 2]" 1
1173 1 52 ASP QB 1 53 ALA H 3.180 . 3.500 2.465 2.281 2.788 . 0 0 "[ . 1 . 2]" 1
1174 1 53 ALA HA 1 56 ARG QB 3.330 . 3.660 2.681 2.237 3.463 . 0 0 "[ . 1 . 2]" 1
1175 1 53 ALA HA 1 56 ARG QG 4.720 . 5.190 3.964 2.645 5.008 . 0 0 "[ . 1 . 2]" 1
1176 1 53 ALA HA 1 56 ARG QD 4.440 . 4.880 3.326 2.282 4.764 . 0 0 "[ . 1 . 2]" 1
1177 1 53 ALA MB 1 56 ARG QB 4.470 . 4.920 3.912 3.516 4.365 . 0 0 "[ . 1 . 2]" 1
1178 1 54 LYS H 1 55 LYS QB 4.750 . 5.220 4.803 4.444 5.052 . 0 0 "[ . 1 . 2]" 1
1179 1 54 LYS HA 1 54 LYS QG 3.270 . 3.600 2.525 2.404 2.667 . 0 0 "[ . 1 . 2]" 1
1180 1 54 LYS QB 1 55 LYS H 3.310 . 3.640 2.423 2.183 2.676 . 0 0 "[ . 1 . 2]" 1
1181 1 54 LYS QE 1 54 LYS QG 3.310 . 3.640 2.328 2.138 2.445 . 0 0 "[ . 1 . 2]" 1
1182 1 54 LYS QG 1 55 LYS H 4.300 . 4.730 3.350 2.898 3.727 . 0 0 "[ . 1 . 2]" 1
1183 1 54 LYS QG 1 57 TYR HB3 5.440 . 5.980 4.049 3.202 4.501 . 0 0 "[ . 1 . 2]" 1
1184 1 55 LYS H 1 55 LYS QB 2.810 . 3.090 2.400 2.121 2.564 . 0 0 "[ . 1 . 2]" 1
1185 1 55 LYS H 1 55 LYS QG 3.440 . 3.780 2.420 1.975 3.672 . 0 0 "[ . 1 . 2]" 1
1186 1 55 LYS H 1 55 LYS QD 4.840 . 5.320 3.756 2.196 4.232 . 0 0 "[ . 1 . 2]" 1
1187 1 55 LYS HA 1 55 LYS QG 3.460 . 3.810 2.701 2.279 3.359 . 0 0 "[ . 1 . 2]" 1
1188 1 55 LYS HA 1 55 LYS QD 4.740 . 5.210 4.045 2.164 4.553 . 0 0 "[ . 1 . 2]" 1
1189 1 55 LYS QB 1 56 ARG H 3.690 . 4.060 2.800 2.207 3.568 . 0 0 "[ . 1 . 2]" 1
1190 1 55 LYS QG 1 56 ARG H 4.850 . 5.330 3.572 2.103 4.529 . 0 0 "[ . 1 . 2]" 1
1191 1 56 ARG H 1 56 ARG QB 3.080 . 3.390 2.333 2.127 2.535 . 0 0 "[ . 1 . 2]" 1
1192 1 56 ARG H 1 56 ARG QG 4.260 . 4.690 3.177 2.048 3.998 . 0 0 "[ . 1 . 2]" 1
1193 1 56 ARG HA 1 56 ARG QG 3.100 . 3.410 2.421 2.267 2.594 . 0 0 "[ . 1 . 2]" 1
1194 1 56 ARG HA 1 56 ARG QD 4.220 . 4.640 4.057 3.293 4.234 . 0 0 "[ . 1 . 2]" 1
1195 1 56 ARG QB 1 56 ARG QD 3.120 . 3.430 2.278 2.119 2.454 . 0 0 "[ . 1 . 2]" 1
1196 1 56 ARG QB 1 57 TYR H 3.690 . 4.060 2.775 2.434 2.940 . 0 0 "[ . 1 . 2]" 1
1197 1 56 ARG QG 1 59 ASP QB 4.470 . 4.920 4.360 3.385 5.010 0.090 20 0 "[ . 1 . 2]" 1
1198 1 57 TYR HD2 1 58 GLU QG 3.470 . 3.820 2.505 1.982 3.239 . 0 0 "[ . 1 . 2]" 1
1199 1 58 GLU H 1 58 GLU QG 3.440 . 3.780 2.305 2.080 2.739 . 0 0 "[ . 1 . 2]" 1
1200 1 58 GLU HA 1 58 GLU QG 3.530 . 3.880 2.470 2.365 2.834 . 0 0 "[ . 1 . 2]" 1
1201 1 59 ASP H 1 59 ASP QB 3.160 . 3.480 2.375 2.179 2.647 . 0 0 "[ . 1 . 2]" 1
1202 1 59 ASP H 1 60 PRO QD 4.840 . 5.320 4.136 3.040 4.466 . 0 0 "[ . 1 . 2]" 1
1203 1 59 ASP HA 1 60 PRO QG 4.830 . 5.310 4.010 3.877 4.195 . 0 0 "[ . 1 . 2]" 1
1204 1 59 ASP HA 1 60 PRO QD 3.130 . 3.440 2.104 1.958 2.269 . 0 0 "[ . 1 . 2]" 1
1205 1 59 ASP QB 1 60 PRO QD 4.280 . 4.710 2.886 1.911 3.861 . 0 0 "[ . 1 . 2]" 1
1206 1 60 PRO QB 1 61 ASP H 3.990 . 4.390 3.523 2.081 4.037 . 0 0 "[ . 1 . 2]" 1
1207 1 60 PRO QG 1 61 ASP H 4.920 . 5.410 4.152 2.965 4.983 . 0 0 "[ . 1 . 2]" 1
1208 1 61 ASP H 1 61 ASP QB 3.100 . 3.410 2.462 2.217 3.229 . 0 0 "[ . 1 . 2]" 1
1209 1 61 ASP H 1 62 LYS QB 5.120 . 5.630 4.576 3.751 5.665 0.035 20 0 "[ . 1 . 2]" 1
1210 1 62 LYS H 1 62 LYS QB 3.310 . 3.640 2.435 2.103 2.854 . 0 0 "[ . 1 . 2]" 1
1211 1 62 LYS H 1 62 LYS QG 4.520 . 4.970 3.727 1.921 4.331 . 0 0 "[ . 1 . 2]" 1
1212 1 62 LYS HA 1 62 LYS QG 3.600 . 3.960 2.758 2.391 3.329 . 0 0 "[ . 1 . 2]" 1
1213 1 62 LYS HA 1 62 LYS QD 4.360 . 4.800 2.906 2.011 4.258 . 0 0 "[ . 1 . 2]" 1
1214 1 62 LYS QB 1 63 GLU H 4.340 . 4.770 3.441 1.992 4.011 . 0 0 "[ . 1 . 2]" 1
1215 1 62 LYS QE 1 62 LYS QG 3.190 . 3.510 2.354 2.138 2.776 . 0 0 "[ . 1 . 2]" 1
1216 1 62 LYS QG 1 63 GLU H 4.820 . 5.300 3.213 2.011 4.770 . 0 0 "[ . 1 . 2]" 1
1217 1 62 LYS QD 1 63 GLU H 4.130 . 4.540 3.607 1.863 4.636 0.096 6 0 "[ . 1 . 2]" 1
1218 1 63 GLU H 1 63 GLU QB 3.500 . 3.850 2.739 2.276 3.411 . 0 0 "[ . 1 . 2]" 1
1219 1 63 GLU H 1 63 GLU QG 3.800 . 4.180 2.536 1.801 3.999 . 0 0 "[ . 1 . 2]" 1
1220 1 63 GLU HA 1 63 GLU QG 3.500 . 3.850 2.882 2.419 3.369 . 0 0 "[ . 1 . 2]" 1
1221 1 63 GLU QB 1 64 LEU H 4.130 . 4.540 2.841 1.855 3.827 . 0 0 "[ . 1 . 2]" 1
1222 1 63 GLU QG 1 64 LEU H 4.780 . 5.260 3.940 2.201 4.795 . 0 0 "[ . 1 . 2]" 1
1223 1 64 LEU H 1 64 LEU QB 3.390 . 3.730 2.688 2.374 3.299 . 0 0 "[ . 1 . 2]" 1
1224 1 64 LEU H 1 64 LEU QD 4.700 . 5.170 2.392 1.743 3.379 0.057 17 0 "[ . 1 . 2]" 1
1225 1 64 LEU HA 1 64 LEU QD 3.200 . 3.520 2.617 1.938 3.400 . 0 0 "[ . 1 . 2]" 1
1226 1 64 LEU QB 1 65 GLU H 3.980 . 4.380 3.207 2.003 3.919 . 0 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 32
_Distance_constraint_stats_list.Viol_count 19
_Distance_constraint_stats_list.Viol_total 3.865
_Distance_constraint_stats_list.Viol_max 0.028
_Distance_constraint_stats_list.Viol_rms 0.0022
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0003
_Distance_constraint_stats_list.Viol_average_violations_only 0.0102
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
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 12 TYR 0.008 0.004 1 0 "[ . 1 . 2]"
1 14 VAL 0.005 0.005 5 0 "[ . 1 . 2]"
1 16 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 LYS 0.008 0.008 19 0 "[ . 1 . 2]"
1 25 VAL 0.008 0.008 19 0 "[ . 1 . 2]"
1 27 TRP 0.000 0.000 . 0 "[ . 1 . 2]"
1 28 TYR 0.007 0.007 17 0 "[ . 1 . 2]"
1 29 GLN 0.005 0.005 5 0 "[ . 1 . 2]"
1 30 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 ARG 0.008 0.004 1 0 "[ . 1 . 2]"
1 41 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 HIS 0.007 0.007 17 0 "[ . 1 . 2]"
1 47 ALA 0.003 0.003 14 0 "[ . 1 . 2]"
1 48 GLN 0.003 0.003 8 0 "[ . 1 . 2]"
1 50 ALA 0.003 0.003 6 0 "[ . 1 . 2]"
1 51 MET 0.016 0.013 1 0 "[ . 1 . 2]"
1 52 ASP 0.003 0.003 8 0 "[ . 1 . 2]"
1 53 ALA 0.062 0.027 13 0 "[ . 1 . 2]"
1 54 LYS 0.085 0.028 8 0 "[ . 1 . 2]"
1 55 LYS 0.013 0.013 1 0 "[ . 1 . 2]"
1 57 TYR 0.062 0.027 13 0 "[ . 1 . 2]"
1 58 GLU 0.081 0.028 8 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 12 TYR H 1 31 ARG O 2.000 . 2.200 1.849 1.796 1.991 0.004 10 0 "[ . 1 . 2]" 2
2 1 12 TYR N 1 31 ARG O 3.000 . 3.300 2.802 2.731 2.945 . 0 0 "[ . 1 . 2]" 2
3 1 14 VAL H 1 29 GLN O 2.000 . 2.200 1.892 1.839 1.972 . 0 0 "[ . 1 . 2]" 2
4 1 14 VAL N 1 29 GLN O 3.000 . 3.300 2.835 2.753 2.898 . 0 0 "[ . 1 . 2]" 2
5 1 16 ILE H 1 27 TRP O 2.000 . 2.200 1.897 1.833 2.003 . 0 0 "[ . 1 . 2]" 2
6 1 16 ILE N 1 27 TRP O 3.000 . 3.300 2.866 2.770 2.983 . 0 0 "[ . 1 . 2]" 2
7 1 18 LYS O 1 25 VAL H 2.000 . 2.200 1.853 1.792 1.960 0.008 19 0 "[ . 1 . 2]" 2
8 1 18 LYS O 1 25 VAL N 3.000 . 3.300 2.796 2.705 2.913 . 0 0 "[ . 1 . 2]" 2
9 1 16 ILE O 1 27 TRP H 2.000 . 2.200 1.961 1.852 2.151 . 0 0 "[ . 1 . 2]" 2
10 1 16 ILE O 1 27 TRP N 3.000 . 3.300 2.881 2.744 3.125 . 0 0 "[ . 1 . 2]" 2
11 1 14 VAL O 1 29 GLN H 2.000 . 2.200 1.846 1.795 1.895 0.005 5 0 "[ . 1 . 2]" 2
12 1 14 VAL O 1 29 GLN N 3.000 . 3.300 2.801 2.726 2.875 . 0 0 "[ . 1 . 2]" 2
13 1 30 LEU H 1 42 SER O 2.000 . 2.200 1.966 1.839 2.116 . 0 0 "[ . 1 . 2]" 2
14 1 30 LEU N 1 42 SER O 3.000 . 3.300 2.919 2.670 3.088 . 0 0 "[ . 1 . 2]" 2
15 1 12 TYR O 1 31 ARG H 2.000 . 2.200 1.973 1.871 2.204 0.004 1 0 "[ . 1 . 2]" 2
16 1 12 TYR O 1 31 ARG N 3.000 . 3.300 2.911 2.823 3.090 . 0 0 "[ . 1 . 2]" 2
17 1 30 LEU O 1 41 ILE H 2.000 . 2.200 1.876 1.811 1.976 . 0 0 "[ . 1 . 2]" 2
18 1 30 LEU O 1 41 ILE N 3.000 . 3.300 2.782 2.694 2.862 . 0 0 "[ . 1 . 2]" 2
19 1 28 TYR O 1 44 HIS H 2.000 . 2.200 1.934 1.793 2.026 0.007 17 0 "[ . 1 . 2]" 2
20 1 28 TYR O 1 44 HIS N 3.000 . 3.300 2.888 2.764 2.983 . 0 0 "[ . 1 . 2]" 2
21 1 47 ALA O 1 51 MET H 2.000 . 2.200 1.881 1.797 2.018 0.003 14 0 "[ . 1 . 2]" 2
22 1 47 ALA O 1 51 MET N 3.000 . 3.300 2.816 2.711 2.965 . 0 0 "[ . 1 . 2]" 2
23 1 48 GLN O 1 52 ASP H 2.000 . 2.200 1.925 1.797 2.084 0.003 8 0 "[ . 1 . 2]" 2
24 1 48 GLN O 1 52 ASP N 3.000 . 3.300 2.859 2.667 2.981 . 0 0 "[ . 1 . 2]" 2
25 1 50 ALA O 1 54 LYS H 2.000 . 2.200 2.002 1.912 2.203 0.003 6 0 "[ . 1 . 2]" 2
26 1 50 ALA O 1 54 LYS N 3.000 . 3.300 2.893 2.750 3.072 . 0 0 "[ . 1 . 2]" 2
27 1 51 MET O 1 55 LYS H 2.000 . 2.200 1.979 1.801 2.213 0.013 1 0 "[ . 1 . 2]" 2
28 1 51 MET O 1 55 LYS N 3.000 . 3.300 2.936 2.759 3.153 . 0 0 "[ . 1 . 2]" 2
29 1 53 ALA O 1 57 TYR H 2.000 . 2.200 2.067 1.909 2.227 0.027 13 0 "[ . 1 . 2]" 2
30 1 53 ALA O 1 57 TYR N 3.000 . 3.300 2.918 2.727 3.092 . 0 0 "[ . 1 . 2]" 2
31 1 54 LYS O 1 58 GLU H 2.000 . 2.200 2.058 1.866 2.228 0.028 8 0 "[ . 1 . 2]" 2
32 1 54 LYS O 1 58 GLU N 3.000 . 3.300 2.976 2.815 3.208 . 0 0 "[ . 1 . 2]" 2
stop_
save_