NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
555755 |
2lto   |
18490 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lto
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 1517
_Distance_constraint_stats_list.Viol_count 6869
_Distance_constraint_stats_list.Viol_total 299030.219
_Distance_constraint_stats_list.Viol_max 8.914
_Distance_constraint_stats_list.Viol_rms 1.2390
_Distance_constraint_stats_list.Viol_average_all_restraints 0.4928
_Distance_constraint_stats_list.Viol_average_violations_only 2.1767
_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 TRP 1846.551 8.914 18 20 [********-********+**]
1 5 LYS 483.484 5.906 17 20 [****************+***]
1 6 PRO 164.029 5.226 4 20 [***+***-************]
1 7 GLY 110.810 2.851 1 20 [+**********-********]
1 8 ASP 375.268 5.226 4 20 [***+*-**************]
1 9 GLU 303.611 4.573 7 20 [***-**+*************]
1 10 CYS 1229.105 8.449 16 20 [******-********+****]
1 11 PHE 1606.907 6.901 18 20 [**********-******+**]
1 12 ALA 510.128 4.659 15 20 [*************-+*****]
1 13 LEU 1018.340 6.921 3 20 [**+******-**********]
1 14 TYR 1018.300 6.969 11 20 [*********-+*********]
1 15 TRP 700.687 8.420 18 20 [-****************+**]
1 16 GLU 521.452 6.779 19 20 [***************-**+*]
1 17 ASP 453.660 4.395 8 20 [*******+***********-]
1 18 ASN 898.700 8.420 18 20 [***************-*+**]
1 19 LYS 856.204 6.969 11 20 [*********-+*********]
1 20 PHE 999.404 7.147 14 20 [************-+******]
1 21 TYR 1916.289 7.961 15 20 [********-*****+*****]
1 22 ARG 770.173 7.961 15 20 [**********-***+*****]
1 23 ALA 271.400 3.387 5 20 [**-*+***************]
1 24 GLU 465.645 5.457 5 20 [****+***************]
1 25 VAL 304.701 3.510 4 20 [***+****************]
1 26 GLU 275.898 2.851 1 20 [+-******************]
1 27 ALA 135.878 3.987 19 20 [**-***************+*]
1 28 LEU 294.381 4.492 4 20 [***+***-************]
1 29 HIS 285.321 5.996 20 20 [**********-********+]
1 33 MET 1.423 0.756 14 1 "[ . 1 +. 2]"
1 34 THR 84.584 2.664 19 20 [******************+-]
1 35 ALA 275.536 5.996 20 20 [******************-+]
1 36 VAL 193.472 5.609 3 20 [**+************-****]
1 37 VAL 259.681 4.026 13 20 [*-**********+*******]
1 38 LYS 936.936 5.676 2 20 [*+*****************-]
1 39 PHE 1431.360 7.621 2 20 [*+**-***************]
1 40 ILE 567.457 6.260 4 20 [***+***************-]
1 41 ASP 156.270 5.213 6 20 [-****+**************]
1 42 TYR 133.387 2.225 8 20 [*******+-***********]
1 43 GLY 167.419 3.309 16 20 [********-******+****]
1 44 ASN 651.439 6.452 15 20 [********-*****+*****]
1 45 TYR 1179.050 7.621 2 20 [*+*********-********]
1 46 GLU 842.483 7.317 1 20 [+****-**************]
1 47 GLU 339.934 4.225 16 20 [*******-*******+****]
1 48 VAL 221.094 3.231 3 20 [**+**-**************]
1 49 LEU 250.961 2.938 11 20 [*****-****+*********]
1 50 LEU 885.771 6.926 2 20 [*+****************-*]
1 51 SER 197.096 3.769 4 20 [***+****-***********]
1 52 ASN 629.228 8.914 18 20 [***********-*****+**]
1 53 ILE 1365.126 4.922 19 20 [******-***********+*]
1 54 LYS 394.412 5.047 8 20 [****-**+************]
1 55 PRO 176.500 3.197 4 20 [***+****-***********]
1 56 ILE 483.190 8.317 18 20 [*********-*******+**]
1 57 LEU 186.229 4.065 18 20 [*****************+-*]
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 4 TRP CD2 1 10 CYS C 4.540 . 5.040 8.204 7.889 8.510 3.470 16 20 [-**************+****] 1
2 1 4 TRP CD2 1 10 CYS C 4.300 . 4.800 5.586 3.663 6.139 1.339 7 18 "[***-**+**1***** ****]" 1
3 1 4 TRP CD2 1 10 CYS HG 4.540 . 5.040 5.707 3.667 6.332 1.292 7 16 "[*** **+**1-***. ****]" 1
4 1 4 TRP CD2 1 11 PHE QE 4.990 . 5.490 12.032 11.482 12.391 6.901 18 20 [**************-**+**] 1
5 1 4 TRP CD2 1 25 VAL C 6.020 . 6.520 3.839 3.637 4.161 . 0 0 "[ . 1 . 2]" 1
6 1 4 TRP CD2 1 53 ILE C 5.740 . 6.240 4.025 3.802 4.222 . 0 0 "[ . 1 . 2]" 1
7 1 4 TRP CD2 1 53 ILE CD1 4.280 . 4.780 4.188 3.873 4.454 . 0 0 "[ . 1 . 2]" 1
8 1 4 TRP CD2 1 53 ILE CG1 4.940 . 5.440 6.025 5.736 6.275 0.835 16 13 "[** *.*-**1 **.+** *]" 1
9 1 4 TRP CD2 1 53 ILE QG 5.710 . 6.210 5.975 5.707 6.207 . 0 0 "[ . 1 . 2]" 1
10 1 4 TRP CD2 1 55 PRO CB 3.890 . 4.390 7.154 6.579 7.587 3.197 4 20 [***+************-***] 1
11 1 4 TRP CD2 1 55 PRO QB 4.970 . 5.470 6.140 5.451 6.631 1.161 4 15 "[* *+****-* ** .* ***]" 1
12 1 4 TRP CE3 1 28 LEU QB 6.560 . 7.060 5.195 4.795 5.850 . 0 0 "[ . 1 . 2]" 1
13 1 4 TRP CE3 1 50 LEU CD1 5.230 . 5.730 9.072 8.746 9.467 3.737 2 20 [*+*******-**********] 1
14 1 4 TRP CE3 1 50 LEU QB 6.820 . 7.320 6.719 6.324 7.000 . 0 0 "[ . 1 . 2]" 1
15 1 4 TRP CE3 1 50 LEU QD 4.750 . 5.250 5.413 5.127 5.824 0.574 16 1 "[ . 1 .+ 2]" 1
16 1 4 TRP CE3 1 53 ILE C 4.370 . 4.870 4.763 4.520 4.988 0.118 14 0 "[ . 1 . 2]" 1
17 1 4 TRP CE3 1 53 ILE CD1 4.410 . 4.910 4.988 4.621 5.350 0.440 14 0 "[ . 1 . 2]" 1
18 1 4 TRP CE3 1 53 ILE CG1 4.720 . 5.220 7.006 6.686 7.313 2.093 4 20 [***+-***************] 1
19 1 4 TRP CE3 1 53 ILE QG 5.390 . 5.890 6.848 6.570 7.127 1.237 4 20 [***+-***************] 1
20 1 4 TRP CH2 1 5 LYS QG 2.760 . 3.260 7.735 6.011 9.166 5.906 17 20 [*****-**********+***] 1
21 1 4 TRP CZ3 1 5 LYS QG 3.110 . 3.610 6.534 4.729 8.034 4.424 17 20 [*****-**********+***] 1
22 1 4 TRP CZ3 1 25 VAL C 5.390 . 5.890 3.704 3.272 4.214 . 0 0 "[ . 1 . 2]" 1
23 1 4 TRP CZ3 1 25 VAL CG2 5.060 . 5.560 3.621 3.202 4.113 . 0 0 "[ . 1 . 2]" 1
24 1 4 TRP CZ3 1 28 LEU QB 6.110 . 6.610 6.316 5.929 6.969 0.359 4 0 "[ . 1 . 2]" 1
25 1 4 TRP CZ3 1 37 VAL CG2 6.610 . 7.110 6.130 5.794 6.548 . 0 0 "[ . 1 . 2]" 1
26 1 4 TRP CZ3 1 53 ILE C 6.530 . 7.030 4.894 4.709 5.129 . 0 0 "[ . 1 . 2]" 1
27 1 4 TRP H 1 4 TRP HB2 3.160 . 3.660 2.274 2.039 2.577 . 0 0 "[ . 1 . 2]" 1
28 1 4 TRP H 1 4 TRP HB3 3.770 . 4.270 3.514 3.391 3.736 . 0 0 "[ . 1 . 2]" 1
29 1 4 TRP H 1 4 TRP HD1 4.160 . 4.660 3.895 3.467 4.344 . 0 0 "[ . 1 . 2]" 1
30 1 4 TRP H 1 5 LYS H 4.630 . 5.130 4.619 4.431 4.735 . 0 0 "[ . 1 . 2]" 1
31 1 4 TRP H 1 50 LEU CG 6.810 . 7.310 5.732 5.071 6.279 . 0 0 "[ . 1 . 2]" 1
32 1 4 TRP HA 1 4 TRP HD1 4.570 . 5.070 4.589 4.480 4.701 . 0 0 "[ . 1 . 2]" 1
33 1 4 TRP HA 1 5 LYS H 2.760 . 3.260 2.350 2.157 2.549 . 0 0 "[ . 1 . 2]" 1
34 1 4 TRP HB2 1 4 TRP HE1 4.800 . 5.300 4.745 4.623 4.820 . 0 0 "[ . 1 . 2]" 1
35 1 4 TRP HB2 1 5 LYS H 4.170 . 4.670 3.948 3.579 4.252 . 0 0 "[ . 1 . 2]" 1
36 1 4 TRP HB2 1 28 LEU CG 6.830 . 7.330 4.393 3.744 4.775 . 0 0 "[ . 1 . 2]" 1
37 1 4 TRP HB2 1 50 LEU CG 6.130 . 6.630 4.398 3.897 4.631 . 0 0 "[ . 1 . 2]" 1
38 1 4 TRP HB3 1 5 LYS H 3.110 . 3.610 2.619 2.203 3.035 . 0 0 "[ . 1 . 2]" 1
39 1 4 TRP HB3 1 25 VAL QG 5.060 . 5.560 3.672 3.212 3.903 . 0 0 "[ . 1 . 2]" 1
40 1 4 TRP HB3 1 28 LEU CG 6.110 . 6.610 3.092 2.931 3.239 . 0 0 "[ . 1 . 2]" 1
41 1 4 TRP HB3 1 37 VAL QG 6.610 . 7.110 5.542 5.432 5.684 . 0 0 "[ . 1 . 2]" 1
42 1 4 TRP HB3 1 53 ILE MD 6.530 . 7.030 4.463 4.150 4.636 . 0 0 "[ . 1 . 2]" 1
43 1 4 TRP HD1 1 28 LEU QB 5.160 . 5.660 4.154 3.827 4.586 . 0 0 "[ . 1 . 2]" 1
44 1 4 TRP HD1 1 50 LEU CG 5.430 . 5.930 3.714 3.454 3.929 . 0 0 "[ . 1 . 2]" 1
45 1 4 TRP HD1 1 50 LEU HA 4.160 . 4.660 2.834 2.440 3.175 . 0 0 "[ . 1 . 2]" 1
46 1 4 TRP HD1 1 50 LEU QB 4.270 . 4.770 2.377 2.076 2.699 . 0 0 "[ . 1 . 2]" 1
47 1 4 TRP HD1 1 52 ASN H 5.500 . 6.000 5.608 5.478 5.749 . 0 0 "[ . 1 . 2]" 1
48 1 4 TRP HD1 1 53 ILE HB 4.030 . 4.530 3.941 3.733 4.210 . 0 0 "[ . 1 . 2]" 1
49 1 4 TRP HD1 1 53 ILE MD 4.880 . 5.380 3.424 3.048 3.895 . 0 0 "[ . 1 . 2]" 1
50 1 4 TRP HE1 1 28 LEU CG 6.560 . 7.060 6.582 6.209 6.817 . 0 0 "[ . 1 . 2]" 1
51 1 4 TRP HE1 1 50 LEU CG 6.820 . 7.320 5.722 5.214 6.041 . 0 0 "[ . 1 . 2]" 1
52 1 4 TRP HE1 1 50 LEU HA 5.230 . 5.730 3.643 3.322 3.922 . 0 0 "[ . 1 . 2]" 1
53 1 4 TRP HE1 1 50 LEU QB 4.750 . 5.250 4.076 3.622 4.257 . 0 0 "[ . 1 . 2]" 1
54 1 4 TRP HE1 1 53 ILE HB 4.720 . 5.220 2.142 1.875 2.441 . 0 0 "[ . 1 . 2]" 1
55 1 4 TRP HE1 1 53 ILE MD 4.370 . 4.870 3.290 3.007 3.542 . 0 0 "[ . 1 . 2]" 1
56 1 4 TRP HE1 1 53 ILE QG 5.390 . 5.890 4.108 3.540 4.350 . 0 0 "[ . 1 . 2]" 1
57 1 4 TRP HE1 1 53 ILE MG 4.410 . 4.910 3.452 3.145 3.740 . 0 0 "[ . 1 . 2]" 1
58 1 4 TRP HH2 1 5 LYS QG 4.170 . 4.670 8.408 6.561 9.944 5.274 17 20 [*****-**********+***] 1
59 1 4 TRP HH2 1 8 ASP QB 5.460 . 5.960 4.851 4.523 5.063 . 0 0 "[ . 1 . 2]" 1
60 1 4 TRP HH2 1 10 CYS QB 4.430 . 4.690 2.894 2.434 3.412 . 0 0 "[ . 1 . 2]" 1
61 1 4 TRP HH2 1 28 LEU QB 6.830 . 7.330 7.853 7.541 8.361 1.031 4 9 "[* +* *1 ** * -*]" 1
62 1 4 TRP HH2 1 50 LEU QB 6.130 . 6.630 8.440 8.112 8.585 1.955 14 20 [*********-***+******] 1
63 1 4 TRP HH2 1 53 ILE MG 5.790 . 6.290 3.754 3.416 4.044 . 0 0 "[ . 1 . 2]" 1
64 1 4 TRP HH2 1 55 PRO HA 2.980 . 3.480 2.315 2.013 2.579 . 0 0 "[ . 1 . 2]" 1
65 1 4 TRP HH2 1 56 ILE H 4.860 . 5.360 4.226 3.910 4.576 . 0 0 "[ . 1 . 2]" 1
66 1 4 TRP HZ2 1 5 LYS QG 4.630 . 5.130 9.144 7.692 10.490 5.360 14 20 [*****-*******+******] 1
67 1 4 TRP HZ2 1 10 CYS QB 4.540 . 4.800 3.281 2.953 3.556 . 0 0 "[ . 1 . 2]" 1
68 1 4 TRP HZ2 1 11 PHE H 4.990 . 5.490 4.517 4.115 4.785 . 0 0 "[ . 1 . 2]" 1
69 1 4 TRP HZ2 1 25 VAL QG 6.020 . 6.520 4.726 4.432 4.954 . 0 0 "[ . 1 . 2]" 1
70 1 4 TRP HZ2 1 50 LEU QB 6.810 . 7.310 6.701 6.296 6.876 . 0 0 "[ . 1 . 2]" 1
71 1 4 TRP HZ2 1 53 ILE HB 4.940 . 5.440 3.143 2.655 3.340 . 0 0 "[ . 1 . 2]" 1
72 1 4 TRP HZ2 1 53 ILE MD 5.740 . 6.240 4.597 4.181 4.830 . 0 0 "[ . 1 . 2]" 1
73 1 4 TRP HZ2 1 53 ILE QG 5.710 . 6.210 5.089 4.637 5.235 . 0 0 "[ . 1 . 2]" 1
74 1 4 TRP HZ2 1 53 ILE MG 4.280 . 4.780 2.474 2.195 2.831 . 0 0 "[ . 1 . 2]" 1
75 1 4 TRP HZ2 1 55 PRO HA 3.890 . 4.390 3.759 3.473 4.006 . 0 0 "[ . 1 . 2]" 1
76 1 4 TRP HZ2 1 55 PRO QB 4.970 . 5.470 4.436 3.846 4.855 . 0 0 "[ . 1 . 2]" 1
77 1 4 TRP HZ3 1 28 LEU QD 5.160 . 5.660 4.573 4.117 5.206 . 0 0 "[ . 1 . 2]" 1
78 1 4 TRP HZ3 1 50 LEU CD1 4.160 . 4.660 11.211 10.874 11.586 6.926 2 20 [*+*******-**********] 1
79 1 4 TRP HZ3 1 50 LEU QB 5.430 . 5.930 8.580 8.243 8.834 2.904 14 20 [*****-*******+******] 1
80 1 4 TRP HZ3 1 50 LEU QD 4.270 . 4.770 7.083 6.788 7.503 2.733 16 20 [*********-*****+****] 1
81 1 4 TRP HZ3 1 52 ASN OD1 5.500 . 6.000 14.256 13.603 14.914 8.914 18 20 [*************-***+**] 1
82 1 4 TRP HZ3 1 53 ILE C 4.880 . 5.380 5.610 5.393 5.857 0.477 1 0 "[ . 1 . 2]" 1
83 1 4 TRP HZ3 1 53 ILE CG1 4.030 . 4.530 8.168 7.804 8.567 4.037 4 20 [***+*****-**********] 1
84 1 4 TRP O 1 8 ASP C 5.460 . 5.960 9.271 8.859 10.032 4.072 16 20 [****-**********+****] 1
85 1 4 TRP O 1 10 CYS C 4.430 . 4.930 13.134 12.763 13.379 8.449 16 20 [****-**********+****] 1
86 1 4 TRP O 1 10 CYS C 4.190 . 4.690 9.392 8.270 10.013 5.323 7 20 [******+**-**********] 1
87 1 4 TRP O 1 10 CYS HG 4.430 . 4.930 9.630 8.357 10.357 5.427 7 20 [******+**-**********] 1
88 1 4 TRP O 1 53 ILE CD1 5.790 . 6.290 6.883 6.572 7.125 0.835 1 16 "[+* *.-***** **.*****]" 1
89 1 4 TRP O 1 56 ILE MG 4.860 . 5.360 13.248 12.736 13.677 8.317 18 20 [**********-******+**] 1
90 1 5 LYS CD 1 27 ALA MB 5.500 . 6.000 9.620 8.171 9.987 3.987 19 20 [******************+-] 1
91 1 5 LYS CD 1 28 LEU QD 4.200 . 4.700 6.785 5.743 7.341 2.641 18 20 [**************-**+**] 1
92 1 5 LYS CD 1 28 LEU HG 4.190 . 4.690 7.740 6.412 8.142 3.452 5 20 [****+*********-*****] 1
93 1 5 LYS H 1 25 VAL QG 4.920 . 5.420 3.283 3.123 3.427 . 0 0 "[ . 1 . 2]" 1
94 1 5 LYS H 1 28 LEU CG 6.750 . 7.250 4.148 3.813 4.450 . 0 0 "[ . 1 . 2]" 1
95 1 5 LYS H 1 28 LEU HG 4.450 . 4.950 3.631 3.347 3.911 . 0 0 "[ . 1 . 2]" 1
96 1 5 LYS HA 1 27 ALA HA 5.500 . 6.000 5.494 5.008 5.652 . 0 0 "[ . 1 . 2]" 1
97 1 5 LYS HA 1 28 LEU H 4.190 . 4.690 3.872 3.345 4.196 . 0 0 "[ . 1 . 2]" 1
98 1 5 LYS HA 1 28 LEU HG 4.200 . 4.700 4.030 3.511 4.273 . 0 0 "[ . 1 . 2]" 1
99 1 5 LYS QG 1 25 VAL C 4.920 . 5.420 4.762 3.862 5.447 0.027 20 0 "[ . 1 . 2]" 1
100 1 5 LYS QG 1 28 LEU QB 6.750 . 7.250 4.874 4.317 5.585 . 0 0 "[ . 1 . 2]" 1
101 1 5 LYS QG 1 28 LEU QD 4.450 . 4.950 5.066 4.176 5.672 0.722 20 4 "[ . 1 *. -* +]" 1
102 1 6 PRO CB 1 7 GLY QA 2.910 . 3.410 4.347 4.136 4.468 1.058 9 20 [********+******-****] 1
103 1 6 PRO CB 1 8 ASP OD1 4.140 . 4.640 9.325 7.507 9.866 5.226 4 20 [***+****-***********] 1
104 1 6 PRO CB 1 25 VAL C 5.340 . 5.840 3.515 3.406 3.627 . 0 0 "[ . 1 . 2]" 1
105 1 6 PRO CB 1 25 VAL CG2 3.880 . 4.380 3.635 3.519 3.761 . 0 0 "[ . 1 . 2]" 1
106 1 6 PRO CB 1 26 GLU CD 4.190 . 4.690 6.592 6.157 7.019 2.329 5 20 [*-**+***************] 1
107 1 6 PRO CB 1 28 LEU QB 5.710 . 6.210 5.487 5.067 5.821 . 0 0 "[ . 1 . 2]" 1
108 1 6 PRO CB 1 28 LEU QD 3.650 . 4.150 4.736 4.529 4.940 0.790 12 15 "[*** ** -***+* ** * *]" 1
109 1 6 PRO HA 1 7 GLY H 2.910 . 3.410 2.318 2.162 2.453 . 0 0 "[ . 1 . 2]" 1
110 1 6 PRO HA 1 8 ASP H 4.140 . 4.640 4.208 3.931 4.371 . 0 0 "[ . 1 . 2]" 1
111 1 6 PRO HA 1 25 VAL QG . . 4.380 1.912 1.842 1.988 . 0 0 "[ . 1 . 2]" 1
112 1 6 PRO HA 1 26 GLU HA 4.190 . 4.690 4.269 3.883 4.417 . 0 0 "[ . 1 . 2]" 1
113 1 6 PRO HA 1 28 LEU CG 5.710 . 6.210 4.286 3.934 4.573 . 0 0 "[ . 1 . 2]" 1
114 1 6 PRO HA 1 28 LEU QB 5.610 . 6.110 4.502 4.140 4.766 . 0 0 "[ . 1 . 2]" 1
115 1 6 PRO HA 1 28 LEU HG 3.650 . 4.150 3.271 2.868 3.523 . 0 0 "[ . 1 . 2]" 1
116 1 6 PRO QB 1 7 GLY C 5.080 . 5.580 5.175 4.909 5.348 . 0 0 "[ . 1 . 2]" 1
117 1 6 PRO QB 1 7 GLY H 3.810 . 4.310 2.845 2.519 3.055 . 0 0 "[ . 1 . 2]" 1
118 1 6 PRO QB 1 7 GLY QA . . 4.310 3.747 3.445 3.893 . 0 0 "[ . 1 . 2]" 1
119 1 6 PRO QB 1 25 VAL CG2 4.710 . 5.210 3.359 3.211 3.486 . 0 0 "[ . 1 . 2]" 1
120 1 6 PRO QB 1 25 VAL QG 4.710 . 5.210 3.370 3.220 3.497 . 0 0 "[ . 1 . 2]" 1
121 1 6 PRO QB 1 26 GLU CD 4.890 . 5.390 5.402 4.998 5.810 0.420 5 0 "[ . 1 . 2]" 1
122 1 6 PRO QB 1 26 GLU HA 4.890 . 5.390 3.967 3.689 4.304 . 0 0 "[ . 1 . 2]" 1
123 1 6 PRO QB 1 27 ALA C 6.550 . 7.050 3.213 3.051 3.504 . 0 0 "[ . 1 . 2]" 1
124 1 6 PRO QB 1 27 ALA H 5.380 . 5.880 4.099 3.819 4.402 . 0 0 "[ . 1 . 2]" 1
125 1 6 PRO QB 1 27 ALA HA 3.700 . 4.200 2.113 1.923 2.490 . 0 0 "[ . 1 . 2]" 1
126 1 6 PRO QB 1 27 ALA MB . . 4.200 3.460 3.252 3.842 . 0 0 "[ . 1 . 2]" 1
127 1 7 GLY C 1 8 ASP C 5.400 . 5.900 3.516 3.294 3.604 . 0 0 "[ . 1 . 2]" 1
128 1 7 GLY C 1 24 GLU OE1 5.720 . 6.220 6.345 5.538 7.056 0.836 14 3 "[ *. 1 - +. 2]" 1
129 1 7 GLY C 1 25 VAL QG 5.310 . 5.810 3.585 3.425 3.783 . 0 0 "[ . 1 . 2]" 1
130 1 7 GLY H 1 8 ASP H 3.010 . 3.510 2.799 2.493 3.079 . 0 0 "[ . 1 . 2]" 1
131 1 7 GLY H 1 25 VAL HB 4.220 . 4.720 3.695 3.307 3.980 . 0 0 "[ . 1 . 2]" 1
132 1 7 GLY H 1 25 VAL QG 3.940 . 4.440 2.248 1.901 2.527 . 0 0 "[ . 1 . 2]" 1
133 1 7 GLY H 1 26 GLU HA 3.740 . 4.240 3.270 2.773 3.736 . 0 0 "[ . 1 . 2]" 1
134 1 7 GLY H 1 28 LEU HG 5.210 . 5.710 5.144 4.784 5.333 . 0 0 "[ . 1 . 2]" 1
135 1 7 GLY QA 1 8 ASP QB 5.400 . 5.900 4.105 3.878 4.342 . 0 0 "[ . 1 . 2]" 1
136 1 7 GLY QA 1 8 ASP OD1 3.010 . 3.510 5.928 4.665 6.319 2.809 4 20 [***+****-***********] 1
137 1 7 GLY QA 1 24 GLU QB 5.720 . 6.220 4.579 4.073 4.892 . 0 0 "[ . 1 . 2]" 1
138 1 7 GLY QA 1 25 VAL CG2 3.940 . 4.440 3.539 3.330 3.715 . 0 0 "[ . 1 . 2]" 1
139 1 7 GLY QA 1 25 VAL H 5.430 . 5.930 5.041 4.664 5.362 . 0 0 "[ . 1 . 2]" 1
140 1 7 GLY QA 1 25 VAL HB 5.310 . 5.810 4.221 3.967 4.401 . 0 0 "[ . 1 . 2]" 1
141 1 7 GLY QA 1 25 VAL QG . . 4.720 3.563 3.347 3.743 . 0 0 "[ . 1 . 2]" 1
142 1 7 GLY QA 1 26 GLU CD 3.740 . 4.240 6.180 5.530 7.091 2.851 1 20 [+*****************-*] 1
143 1 7 GLY QA 1 28 LEU QD 5.210 . 5.710 5.639 5.489 5.919 0.209 12 0 "[ . 1 . 2]" 1
144 1 7 GLY O 1 25 VAL CG2 5.850 . 6.350 4.367 4.188 4.572 . 0 0 "[ . 1 . 2]" 1
145 1 8 ASP C 1 9 GLU QG 4.410 . 4.910 3.697 2.606 4.054 . 0 0 "[ . 1 . 2]" 1
146 1 8 ASP C 1 25 VAL QG 4.370 . 4.870 2.511 2.266 3.149 . 0 0 "[ . 1 . 2]" 1
147 1 8 ASP H 1 9 GLU H 3.920 . 4.420 4.015 3.878 4.242 . 0 0 "[ . 1 . 2]" 1
148 1 8 ASP H 1 24 GLU QB 5.290 . 5.790 4.426 4.036 4.916 . 0 0 "[ . 1 . 2]" 1
149 1 8 ASP H 1 25 VAL H 3.780 . 4.280 3.086 2.869 3.479 . 0 0 "[ . 1 . 2]" 1
150 1 8 ASP H 1 25 VAL HB 2.990 . 3.490 1.917 1.748 2.131 0.052 14 0 "[ . 1 . 2]" 1
151 1 8 ASP H 1 25 VAL QG 4.440 . 4.940 2.525 2.387 2.720 . 0 0 "[ . 1 . 2]" 1
152 1 8 ASP HA 1 9 GLU H 2.650 . 3.150 2.215 2.026 2.474 . 0 0 "[ . 1 . 2]" 1
153 1 8 ASP HA 1 9 GLU QB 5.300 . 5.800 4.584 3.826 4.874 . 0 0 "[ . 1 . 2]" 1
154 1 8 ASP HA 1 9 GLU QG 5.160 . 5.660 4.190 3.575 4.717 . 0 0 "[ . 1 . 2]" 1
155 1 8 ASP HA 1 25 VAL HB 4.060 . 4.560 3.983 3.684 4.234 . 0 0 "[ . 1 . 2]" 1
156 1 8 ASP HA 1 25 VAL QG 5.820 . 6.320 4.241 4.073 4.487 . 0 0 "[ . 1 . 2]" 1
157 1 8 ASP QB 1 9 GLU H 4.410 . 4.910 3.766 2.462 4.031 . 0 0 "[ . 1 . 2]" 1
158 1 8 ASP QB 1 25 VAL HB 4.370 . 4.870 2.513 2.171 3.080 . 0 0 "[ . 1 . 2]" 1
159 1 8 ASP OD1 1 9 GLU QG 3.920 . 4.420 4.494 3.324 5.867 1.447 9 5 "[* .- +* * . 2]" 1
160 1 8 ASP OD1 1 24 GLU OE1 5.290 . 5.790 8.162 7.597 8.779 2.989 4 20 [***+************-***] 1
161 1 8 ASP OD1 1 25 VAL C 4.440 . 4.940 4.647 4.358 5.185 0.245 14 0 "[ . 1 . 2]" 1
162 1 8 ASP OD1 1 25 VAL CG2 4.580 . 5.080 4.597 4.271 5.154 0.074 14 0 "[ . 1 . 2]" 1
163 1 8 ASP OD1 1 25 VAL QG . . 3.490 4.729 4.409 5.304 1.814 14 20 [**-**********+******] 1
164 1 8 ASP OD2 1 9 GLU C 5.160 . 5.660 5.128 4.423 5.938 0.278 5 0 "[ . 1 . 2]" 1
165 1 8 ASP OD2 1 9 GLU QG 2.650 . 3.150 6.235 5.207 7.306 4.156 12 20 [***********+***-****] 1
166 1 8 ASP OD2 1 9 GLU OE1 5.300 . 5.800 7.020 5.636 8.730 2.930 2 11 "[ + *. * -** **.** *2]" 1
167 1 8 ASP OD2 1 25 VAL C 5.820 . 6.320 4.359 3.932 4.942 . 0 0 "[ . 1 . 2]" 1
168 1 8 ASP OD2 1 25 VAL CG2 6.170 . 6.670 4.309 3.909 4.884 . 0 0 "[ . 1 . 2]" 1
169 1 8 ASP OD2 1 25 VAL QG 4.060 . 4.560 4.407 3.974 5.012 0.452 11 0 "[ . 1 . 2]" 1
170 1 9 GLU C 1 9 GLU CD 4.230 . 4.730 3.943 3.081 4.608 . 0 0 "[ . 1 . 2]" 1
171 1 9 GLU C 1 9 GLU OE1 3.780 . 4.280 3.942 2.898 4.534 0.254 10 0 "[ . 1 . 2]" 1
172 1 9 GLU C 1 10 CYS QB 5.560 . 6.060 3.296 3.150 3.440 . 0 0 "[ . 1 . 2]" 1
173 1 9 GLU C 1 40 ILE C 5.930 . 6.430 4.036 3.718 4.390 . 0 0 "[ . 1 . 2]" 1
174 1 9 GLU C 1 56 ILE C 5.460 . 5.960 2.675 2.185 3.678 . 0 0 "[ . 1 . 2]" 1
175 1 9 GLU C 1 56 ILE CD1 6.300 . 6.800 2.605 2.149 3.534 . 0 0 "[ . 1 . 2]" 1
176 1 9 GLU C 1 56 ILE QG 6.730 . 7.230 3.373 2.293 3.948 . 0 0 "[ . 1 . 2]" 1
177 1 9 GLU CD 1 10 CYS QB 2.820 . 3.320 7.434 6.722 7.893 4.573 7 20 [**-***+*************] 1
178 1 9 GLU CD 1 24 GLU QG 4.550 . 5.050 4.530 3.269 5.354 0.304 4 0 "[ . 1 . 2]" 1
179 1 9 GLU CD 1 24 GLU OE1 4.770 . 5.270 5.326 3.943 7.224 1.954 3 4 "[ +*.* 1 . - 2]" 1
180 1 9 GLU CD 1 25 VAL QG 4.380 . 4.880 7.001 6.406 7.645 2.765 17 20 [***********-****+***] 1
181 1 9 GLU H 1 9 GLU QB 3.310 . 3.810 2.692 2.422 3.108 . 0 0 "[ . 1 . 2]" 1
182 1 9 GLU H 1 9 GLU QG 3.960 . 4.460 2.584 1.783 3.624 0.017 3 0 "[ . 1 . 2]" 1
183 1 9 GLU H 1 24 GLU QB 5.670 . 6.170 4.947 4.633 5.344 . 0 0 "[ . 1 . 2]" 1
184 1 9 GLU H 1 25 VAL H 4.630 . 5.130 4.349 3.953 4.671 . 0 0 "[ . 1 . 2]" 1
185 1 9 GLU H 1 25 VAL HB 4.800 . 5.300 4.689 3.867 4.928 . 0 0 "[ . 1 . 2]" 1
186 1 9 GLU HA 1 10 CYS H 2.820 . 3.320 2.089 1.984 2.322 . 0 0 "[ . 1 . 2]" 1
187 1 9 GLU HA 1 24 GLU H 4.550 . 5.050 4.394 4.198 4.596 . 0 0 "[ . 1 . 2]" 1
188 1 9 GLU HA 1 24 GLU QB 4.770 . 5.270 4.018 3.624 4.272 . 0 0 "[ . 1 . 2]" 1
189 1 9 GLU HA 1 25 VAL HB 4.380 . 4.880 4.524 4.323 4.674 . 0 0 "[ . 1 . 2]" 1
190 1 9 GLU QB 1 10 CYS H 3.860 . 4.360 3.208 2.917 3.418 . 0 0 "[ . 1 . 2]" 1
191 1 9 GLU QB 1 25 VAL H 5.280 . 5.780 4.610 4.186 4.825 . 0 0 "[ . 1 . 2]" 1
192 1 9 GLU QB 1 40 ILE MD 5.730 . 6.230 2.423 2.083 3.651 . 0 0 "[ . 1 . 2]" 1
193 1 9 GLU QB 1 56 ILE MD 5.110 . 5.610 2.514 1.970 3.446 . 0 0 "[ . 1 . 2]" 1
194 1 9 GLU QB 1 56 ILE QG 5.800 . 6.300 4.101 2.152 4.676 . 0 0 "[ . 1 . 2]" 1
195 1 9 GLU QG 1 10 CYS H 5.560 . 6.060 4.368 3.894 4.885 . 0 0 "[ . 1 . 2]" 1
196 1 9 GLU QG 1 24 GLU OE1 5.670 . 6.170 5.102 3.369 6.171 0.001 4 0 "[ . 1 . 2]" 1
197 1 9 GLU QG 1 25 VAL QG 4.630 . 5.130 5.720 5.042 6.013 0.883 15 17 "[***-**** 1****+ ****]" 1
198 1 9 GLU QG 1 40 ILE MD 5.930 . 6.430 3.827 2.427 4.362 . 0 0 "[ . 1 . 2]" 1
199 1 9 GLU QG 1 56 ILE MD 5.460 . 5.960 2.972 2.172 4.053 . 0 0 "[ . 1 . 2]" 1
200 1 9 GLU QG 1 56 ILE QG 6.730 . 7.230 4.297 2.408 5.525 . 0 0 "[ . 1 . 2]" 1
201 1 9 GLU QG 1 56 ILE MG 6.300 . 6.800 2.810 2.221 4.203 . 0 0 "[ . 1 . 2]" 1
202 1 9 GLU OE1 1 10 CYS QB 3.860 . 4.360 7.004 6.124 7.539 3.179 7 20 [**-***+*************] 1
203 1 9 GLU OE1 1 25 VAL QG 5.280 . 5.780 6.456 5.739 7.231 1.451 17 11 "[ *-*. * ** **.*+ *2]" 1
204 1 9 GLU OE1 1 40 ILE C 5.730 . 6.230 4.156 3.079 5.078 . 0 0 "[ . 1 . 2]" 1
205 1 9 GLU OE1 1 56 ILE C 5.110 . 5.610 3.964 2.422 5.787 0.177 5 0 "[ . 1 . 2]" 1
206 1 9 GLU OE1 1 56 ILE QG 5.800 . 6.300 5.461 4.091 6.768 0.468 15 0 "[ . 1 . 2]" 1
207 1 10 CYS C 1 11 PHE QE 3.240 . 3.740 5.461 5.154 5.815 2.075 5 20 [****+*********-*****] 1
208 1 10 CYS C 1 25 VAL C 5.990 . 6.490 2.475 1.911 3.407 . 0 0 "[ . 1 . 2]" 1
209 1 10 CYS C 1 37 VAL CG2 6.920 . 7.420 4.497 4.219 4.793 . 0 0 "[ . 1 . 2]" 1
210 1 10 CYS C 1 53 ILE C 6.500 . 7.000 4.920 4.071 5.177 . 0 0 "[ . 1 . 2]" 1
211 1 10 CYS C 1 53 ILE CD1 4.120 . 4.620 5.233 4.198 5.695 1.075 3 14 "[**+ -*** 1****. * **]" 1
212 1 10 CYS C 1 53 ILE CG1 4.980 . 5.480 6.470 5.700 6.794 1.314 1 18 "[+**-*****1***** ****]" 1
213 1 10 CYS C 1 54 LYS QG 5.240 . 5.740 6.399 4.760 7.341 1.601 17 13 "[ *.* -*** * **+***]" 1
214 1 10 CYS C 1 56 ILE QG 6.730 . 7.230 2.869 2.492 3.398 . 0 0 "[ . 1 . 2]" 1
215 1 10 CYS C 1 11 PHE QE 3.600 . 4.100 5.514 5.192 5.894 1.794 5 20 [****+*********-*****] 1
216 1 10 CYS C 1 53 ILE C 6.610 . 7.110 5.561 5.285 5.758 . 0 0 "[ . 1 . 2]" 1
217 1 10 CYS C 1 53 ILE CD1 4.300 . 4.800 6.206 5.727 6.483 1.683 7 20 [****-*+*************] 1
218 1 10 CYS C 1 53 ILE CG1 5.170 . 5.670 7.134 6.752 7.439 1.769 17 20 [****-***********+***] 1
219 1 10 CYS H 1 22 ARG HA 5.270 . 5.770 4.690 4.444 4.932 . 0 0 "[ . 1 . 2]" 1
220 1 10 CYS H 1 23 ALA H 3.640 . 4.140 3.050 2.728 3.283 . 0 0 "[ . 1 . 2]" 1
221 1 10 CYS H 1 24 GLU HA 3.770 . 4.270 3.334 2.934 3.689 . 0 0 "[ . 1 . 2]" 1
222 1 10 CYS H 1 24 GLU QG 5.340 . 5.840 4.514 4.224 4.815 . 0 0 "[ . 1 . 2]" 1
223 1 10 CYS H 1 25 VAL H 4.240 . 4.740 3.568 3.304 3.832 . 0 0 "[ . 1 . 2]" 1
224 1 10 CYS H 1 25 VAL HB 5.030 . 5.530 5.049 4.784 5.254 . 0 0 "[ . 1 . 2]" 1
225 1 10 CYS H 1 25 VAL QG 5.390 . 5.890 3.629 3.390 4.020 . 0 0 "[ . 1 . 2]" 1
226 1 10 CYS H 1 40 ILE MD 4.470 . 4.970 3.584 3.283 3.804 . 0 0 "[ . 1 . 2]" 1
227 1 10 CYS H 1 56 ILE MD 5.220 . 5.720 3.223 2.582 4.169 . 0 0 "[ . 1 . 2]" 1
228 1 10 CYS H 1 56 ILE MG 6.610 . 7.110 5.156 4.658 5.530 . 0 0 "[ . 1 . 2]" 1
229 1 10 CYS HA 1 11 PHE H 2.990 . 3.490 2.709 2.633 2.833 . 0 0 "[ . 1 . 2]" 1
230 1 10 CYS HA 1 23 ALA H 4.830 . 5.330 4.727 4.520 5.027 . 0 0 "[ . 1 . 2]" 1
231 1 10 CYS HA 1 56 ILE HA 4.120 . 4.620 3.909 2.953 4.177 . 0 0 "[ . 1 . 2]" 1
232 1 10 CYS HA 1 56 ILE HB 4.250 . 4.750 2.496 2.158 3.307 . 0 0 "[ . 1 . 2]" 1
233 1 10 CYS HA 1 56 ILE MD 4.140 . 4.640 3.101 2.726 3.639 . 0 0 "[ . 1 . 2]" 1
234 1 10 CYS HA 1 56 ILE QG 4.370 . 4.870 2.563 1.936 3.032 . 0 0 "[ . 1 . 2]" 1
235 1 10 CYS HA 1 56 ILE MG 4.840 . 5.340 4.033 3.767 4.252 . 0 0 "[ . 1 . 2]" 1
236 1 10 CYS QB 1 11 PHE H 3.600 . 3.740 2.103 1.915 2.419 . 0 0 "[ . 1 . 2]" 1
237 1 10 CYS QB 1 22 ARG QD 5.270 . 5.770 7.947 6.874 8.928 3.158 9 20 [*-******+***********] 1
238 1 10 CYS QB 1 23 ALA MB 3.640 . 4.140 3.967 3.549 4.388 0.248 12 0 "[ . 1 . 2]" 1
239 1 10 CYS QB 1 24 GLU C 5.340 . 5.840 5.204 4.867 5.400 . 0 0 "[ . 1 . 2]" 1
240 1 10 CYS QB 1 24 GLU CD 3.770 . 4.270 8.671 8.358 8.949 4.679 18 20 [*****-***********+**] 1
241 1 10 CYS QB 1 25 VAL C 5.390 . 5.890 2.502 2.275 2.763 . 0 0 "[ . 1 . 2]" 1
242 1 10 CYS QB 1 25 VAL QG . . 4.740 2.504 2.277 2.767 . 0 0 "[ . 1 . 2]" 1
243 1 10 CYS QB 1 37 VAL QG 6.920 . 7.420 3.735 3.461 4.023 . 0 0 "[ . 1 . 2]" 1
244 1 10 CYS QB 1 40 ILE C 4.470 . 4.970 5.577 5.284 5.770 0.800 14 13 "[** **- ** +* ****]" 1
245 1 10 CYS QB 1 53 ILE HB 5.170 . 5.480 4.419 4.303 4.568 . 0 0 "[ . 1 . 2]" 1
246 1 10 CYS QB 1 53 ILE MD 6.610 . 7.000 4.352 3.990 4.657 . 0 0 "[ . 1 . 2]" 1
247 1 10 CYS QB 1 53 ILE MG 4.300 . 4.620 2.217 2.083 2.379 . 0 0 "[ . 1 . 2]" 1
248 1 10 CYS QB 1 54 LYS H 5.240 . 5.740 4.206 3.576 4.577 . 0 0 "[ . 1 . 2]" 1
249 1 10 CYS QB 1 56 ILE C 5.220 . 5.720 4.369 4.102 4.711 . 0 0 "[ . 1 . 2]" 1
250 1 10 CYS QB 1 56 ILE CD1 6.610 . 7.110 4.279 4.004 4.685 . 0 0 "[ . 1 . 2]" 1
251 1 10 CYS QB 1 56 ILE QG 6.730 . 7.230 4.229 3.698 4.692 . 0 0 "[ . 1 . 2]" 1
252 1 10 CYS HG 1 11 PHE QE 3.600 . 4.100 8.851 8.365 9.472 5.372 4 20 [***+**-*************] 1
253 1 10 CYS HG 1 53 ILE C 6.610 . 7.110 5.551 4.194 6.089 . 0 0 "[ . 1 . 2]" 1
254 1 10 CYS HG 1 53 ILE CD1 4.300 . 4.800 5.690 4.280 6.452 1.652 20 17 "[***-*****1****. ***+]" 1
255 1 10 CYS HG 1 53 ILE CG1 5.170 . 5.670 7.505 5.963 8.202 2.532 20 19 [*********1*****-***+] 1
256 1 10 CYS SG 1 11 PHE QE 2.990 . 3.490 8.531 7.867 8.972 5.482 18 20 [**********-******+**] 1
257 1 10 CYS SG 1 23 ALA MB 4.830 . 5.330 6.015 5.551 6.569 1.239 12 16 "[**-******1*+* .* ***]" 1
258 1 10 CYS SG 1 56 ILE C 4.140 . 4.640 5.088 4.661 5.754 1.114 4 5 "[* +*- 1 . * 2]" 1
259 1 10 CYS SG 1 56 ILE CD1 4.840 . 5.340 5.018 4.623 5.728 0.388 18 0 "[ . 1 . 2]" 1
260 1 10 CYS SG 1 56 ILE CG1 4.250 . 4.750 6.025 5.372 6.571 1.821 6 20 [****-+**************] 1
261 1 10 CYS SG 1 56 ILE QG 4.370 . 4.870 5.294 4.351 5.832 0.962 6 14 "[ ** .+***-* ***** *2]" 1
262 1 10 CYS SG 1 56 ILE MG 4.120 . 4.620 5.767 4.938 6.284 1.664 1 19 "[+********* ********-]" 1
263 1 11 PHE C 1 21 TYR OH 5.300 . 5.800 8.400 8.037 8.952 3.152 16 20 [-**************+****] 1
264 1 11 PHE C 1 22 ARG QD 6.060 . 6.560 5.284 4.251 6.089 . 0 0 "[ . 1 . 2]" 1
265 1 11 PHE C 1 22 ARG HE 5.470 . 5.970 5.492 4.728 6.477 0.507 11 1 "[ . 1+ . 2]" 1
266 1 11 PHE C 1 56 ILE C 6.480 . 6.980 3.223 2.277 3.705 . 0 0 "[ . 1 . 2]" 1
267 1 11 PHE C 1 56 ILE CD1 5.700 . 6.200 3.454 2.403 3.993 . 0 0 "[ . 1 . 2]" 1
268 1 11 PHE C 1 56 ILE QG 6.930 . 7.430 2.569 2.010 3.439 . 0 0 "[ . 1 . 2]" 1
269 1 11 PHE C 1 56 ILE MG 4.670 . 5.170 4.464 4.002 4.828 . 0 0 "[ . 1 . 2]" 1
270 1 11 PHE CD2 1 12 ALA MB 4.460 . 4.960 6.112 5.940 6.301 1.341 5 20 [****+*******-*******] 1
271 1 11 PHE CD2 1 20 PHE HZ 4.020 . 4.520 8.420 7.828 8.812 4.292 9 20 [***-****+***********] 1
272 1 11 PHE CD2 1 21 TYR CZ 5.140 . 5.640 7.557 6.882 8.552 2.912 15 20 [-*************+*****] 1
273 1 11 PHE CD2 1 21 TYR OH 4.800 . 5.300 8.542 7.884 9.558 4.258 15 20 [-*************+*****] 1
274 1 11 PHE CD2 1 22 ARG QD 5.850 . 6.350 3.952 2.619 4.848 . 0 0 "[ . 1 . 2]" 1
275 1 11 PHE CD2 1 56 ILE C 6.190 . 6.690 2.881 2.176 3.204 . 0 0 "[ . 1 . 2]" 1
276 1 11 PHE CD2 1 56 ILE QG 6.920 . 7.420 2.422 2.068 3.726 . 0 0 "[ . 1 . 2]" 1
277 1 11 PHE CD2 1 56 ILE MG 4.130 . 4.630 3.884 3.542 4.136 . 0 0 "[ . 1 . 2]" 1
278 1 11 PHE CE2 1 12 ALA C 5.970 . 6.470 6.910 6.728 7.144 0.674 16 4 "[ * -1 *+ 2]" 1
279 1 11 PHE CE2 1 12 ALA MB . . 4.300 7.805 7.643 8.068 3.768 5 20 [****+***********-***] 1
280 1 11 PHE CE2 1 20 PHE CD2 4.420 . 4.920 7.262 6.517 7.661 2.741 16 20 [***-***********+****] 1
281 1 11 PHE CE2 1 20 PHE QE 5.500 . 6.000 8.532 7.814 8.956 2.956 10 20 [***-*****+**********] 1
282 1 11 PHE CE2 1 22 ARG QD 5.500 . 6.000 5.053 3.821 6.446 0.446 16 0 "[ . 1 . 2]" 1
283 1 11 PHE CE2 1 54 LYS QG 4.410 . 4.910 6.833 5.104 8.478 3.568 17 17 "[**-*.* **** ****+***]" 1
284 1 11 PHE CZ 1 12 ALA C 5.070 . 5.570 6.798 6.567 7.116 1.546 16 20 [-**************+****] 1
285 1 11 PHE CZ 1 12 ALA MB 2.910 . 3.410 7.785 7.569 8.069 4.659 15 20 [************-*+*****] 1
286 1 11 PHE CZ 1 20 PHE CE2 4.950 . 5.450 9.161 8.123 9.618 4.168 9 20 [***-****+***********] 1
287 1 11 PHE CZ 1 20 PHE HZ 5.500 . 6.000 10.721 9.894 11.240 5.240 9 20 [***-****+***********] 1
288 1 11 PHE CZ 1 21 TYR CZ 4.750 . 5.250 9.889 9.207 10.976 5.726 15 20 [-*************+*****] 1
289 1 11 PHE CZ 1 22 ARG QD 3.360 . 3.860 4.323 3.078 5.591 1.731 16 9 "[ * *****1* .+ -2]" 1
290 1 11 PHE CZ 1 23 ALA C 5.360 . 5.860 6.762 6.497 7.107 1.247 5 20 [****+*****-*********] 1
291 1 11 PHE CZ 1 23 ALA MB 3.970 . 4.470 7.456 7.149 7.857 3.387 5 20 [****+****-**********] 1
292 1 11 PHE CZ 1 56 ILE C 5.550 . 6.050 3.859 3.051 4.290 . 0 0 "[ . 1 . 2]" 1
293 1 11 PHE H 1 11 PHE HB2 4.000 . 4.500 2.448 2.239 2.645 . 0 0 "[ . 1 . 2]" 1
294 1 11 PHE H 1 11 PHE HB3 4.050 . 4.550 3.526 3.387 3.695 . 0 0 "[ . 1 . 2]" 1
295 1 11 PHE H 1 11 PHE QD 4.560 . 5.060 3.795 3.261 4.063 . 0 0 "[ . 1 . 2]" 1
296 1 11 PHE H 1 12 ALA MB 6.440 . 6.940 4.641 4.267 4.854 . 0 0 "[ . 1 . 2]" 1
297 1 11 PHE H 1 53 ILE HB 5.500 . 6.000 5.652 5.480 5.780 . 0 0 "[ . 1 . 2]" 1
298 1 11 PHE H 1 53 ILE MG 4.960 . 5.460 3.011 2.799 3.169 . 0 0 "[ . 1 . 2]" 1
299 1 11 PHE H 1 54 LYS H 3.960 . 4.460 3.494 3.088 3.799 . 0 0 "[ . 1 . 2]" 1
300 1 11 PHE H 1 56 ILE H 4.730 . 5.230 4.376 3.863 4.706 . 0 0 "[ . 1 . 2]" 1
301 1 11 PHE H 1 56 ILE HA 5.170 . 5.670 4.597 3.718 5.043 . 0 0 "[ . 1 . 2]" 1
302 1 11 PHE H 1 56 ILE MD 5.680 . 6.180 4.501 4.180 4.754 . 0 0 "[ . 1 . 2]" 1
303 1 11 PHE HA 1 11 PHE QD 3.950 . 4.450 2.633 2.391 2.972 . 0 0 "[ . 1 . 2]" 1
304 1 11 PHE HA 1 12 ALA H 2.910 . 3.410 2.189 2.037 2.289 . 0 0 "[ . 1 . 2]" 1
305 1 11 PHE HA 1 12 ALA MB 5.070 . 5.570 3.920 3.700 4.082 . 0 0 "[ . 1 . 2]" 1
306 1 11 PHE HA 1 20 PHE HB2 5.500 . 6.000 5.288 4.759 5.585 . 0 0 "[ . 1 . 2]" 1
307 1 11 PHE HA 1 20 PHE HB3 4.950 . 5.450 3.888 3.472 4.072 . 0 0 "[ . 1 . 2]" 1
308 1 11 PHE HA 1 21 TYR H 4.750 . 5.250 4.077 3.668 4.482 . 0 0 "[ . 1 . 2]" 1
309 1 11 PHE HA 1 22 ARG HA 3.360 . 3.860 2.539 1.997 2.837 . 0 0 "[ . 1 . 2]" 1
310 1 11 PHE HA 1 23 ALA H 3.970 . 4.470 3.210 2.862 3.549 . 0 0 "[ . 1 . 2]" 1
311 1 11 PHE HA 1 23 ALA MB 5.360 . 5.860 3.997 3.579 4.265 . 0 0 "[ . 1 . 2]" 1
312 1 11 PHE HA 1 56 ILE MD 5.550 . 6.050 4.153 3.589 4.690 . 0 0 "[ . 1 . 2]" 1
313 1 11 PHE HB2 1 54 LYS H 4.520 . 5.020 3.710 3.124 3.985 . 0 0 "[ . 1 . 2]" 1
314 1 11 PHE HB3 1 12 ALA H 3.800 . 4.300 3.602 3.293 3.830 . 0 0 "[ . 1 . 2]" 1
315 1 11 PHE HB3 1 12 ALA HA 4.940 . 5.440 4.613 4.441 4.755 . 0 0 "[ . 1 . 2]" 1
316 1 11 PHE HB3 1 12 ALA MB 5.970 . 6.470 5.048 4.879 5.176 . 0 0 "[ . 1 . 2]" 1
317 1 11 PHE HB3 1 20 PHE H 5.500 . 6.000 5.601 5.430 5.764 . 0 0 "[ . 1 . 2]" 1
318 1 11 PHE HB3 1 20 PHE QD 4.420 . 4.920 3.179 2.621 3.619 . 0 0 "[ . 1 . 2]" 1
319 1 11 PHE HB3 1 22 ARG HA 5.500 . 6.000 4.803 4.206 5.192 . 0 0 "[ . 1 . 2]" 1
320 1 11 PHE HB3 1 54 LYS H 4.410 . 4.910 3.835 3.503 4.242 . 0 0 "[ . 1 . 2]" 1
321 1 11 PHE QD 1 12 ALA H 4.460 . 4.960 3.581 3.141 4.005 . 0 0 "[ . 1 . 2]" 1
322 1 11 PHE QD 1 20 PHE HB2 4.020 . 4.520 3.372 2.638 3.741 . 0 0 "[ . 1 . 2]" 1
323 1 11 PHE QD 1 21 TYR H 5.140 . 5.640 3.305 2.878 3.930 . 0 0 "[ . 1 . 2]" 1
324 1 11 PHE QD 1 21 TYR HA 4.800 . 5.300 3.038 2.780 3.514 . 0 0 "[ . 1 . 2]" 1
325 1 11 PHE QD 1 22 ARG H 5.850 . 6.350 3.464 2.813 3.822 . 0 0 "[ . 1 . 2]" 1
326 1 11 PHE QD 1 56 ILE HA 4.130 . 4.630 2.212 1.920 2.719 . 0 0 "[ . 1 . 2]" 1
327 1 11 PHE QD 1 56 ILE MD 6.190 . 6.690 3.719 2.452 4.366 . 0 0 "[ . 1 . 2]" 1
328 1 11 PHE QD 1 56 ILE QG 6.920 . 7.420 2.577 2.011 3.474 . 0 0 "[ . 1 . 2]" 1
329 1 11 PHE QE 1 12 ALA C 6.440 . 6.940 5.784 5.539 6.169 . 0 0 "[ . 1 . 2]" 1
330 1 11 PHE QE 1 21 TYR HA 5.300 . 5.800 3.131 2.447 4.220 . 0 0 "[ . 1 . 2]" 1
331 1 11 PHE QE 1 22 ARG H 6.060 . 6.560 2.980 2.478 3.844 . 0 0 "[ . 1 . 2]" 1
332 1 11 PHE QE 1 22 ARG QB 5.470 . 5.970 3.775 2.457 4.426 . 0 0 "[ . 1 . 2]" 1
333 1 11 PHE QE 1 53 ILE CD1 4.960 . 5.460 9.277 9.011 9.507 4.047 19 20 [********-*********+*] 1
334 1 11 PHE QE 1 53 ILE CG1 5.500 . 6.000 10.577 10.223 10.922 4.922 19 20 [*****-************+*] 1
335 1 11 PHE QE 1 54 LYS QG 3.960 . 4.460 6.709 5.259 8.119 3.659 17 20 [***********-****+***] 1
336 1 11 PHE QE 1 56 ILE C 5.680 . 6.180 3.083 2.295 3.518 . 0 0 "[ . 1 . 2]" 1
337 1 11 PHE QE 1 56 ILE HA 4.670 . 5.170 3.078 2.430 3.618 . 0 0 "[ . 1 . 2]" 1
338 1 11 PHE QE 1 56 ILE MD 6.480 . 6.980 3.506 2.319 4.145 . 0 0 "[ . 1 . 2]" 1
339 1 11 PHE QE 1 56 ILE QG 6.930 . 7.430 2.743 2.190 4.472 . 0 0 "[ . 1 . 2]" 1
340 1 11 PHE QE 1 56 ILE MG . . 5.230 4.078 3.687 4.374 . 0 0 "[ . 1 . 2]" 1
341 1 11 PHE HZ 1 54 LYS QG 4.520 . 5.020 8.442 6.784 9.946 4.926 17 20 [***********-****+***] 1
342 1 12 ALA C 1 13 LEU CD1 6.050 . 6.550 4.679 4.498 4.871 . 0 0 "[ . 1 . 2]" 1
343 1 12 ALA C 1 13 LEU HG 3.730 . 4.230 4.771 4.658 4.887 0.657 19 15 "[ **** -* *******+*]" 1
344 1 12 ALA C 1 20 PHE CE2 6.460 . 6.960 5.034 4.157 6.115 . 0 0 "[ . 1 . 2]" 1
345 1 12 ALA C 1 21 TYR CZ 5.390 . 5.890 6.092 5.935 6.277 0.387 10 0 "[ . 1 . 2]" 1
346 1 12 ALA C 1 37 VAL C 4.050 . 4.550 2.027 1.872 2.259 . 0 0 "[ . 1 . 2]" 1
347 1 12 ALA C 1 37 VAL CG2 4.720 . 5.220 1.991 1.845 2.210 . 0 0 "[ . 1 . 2]" 1
348 1 12 ALA C 1 53 ILE C 5.800 . 6.300 3.380 2.970 3.746 . 0 0 "[ . 1 . 2]" 1
349 1 12 ALA C 1 53 ILE CD1 4.540 . 5.040 3.297 2.873 3.725 . 0 0 "[ . 1 . 2]" 1
350 1 12 ALA C 1 53 ILE CG1 5.900 . 6.400 3.312 3.032 3.752 . 0 0 "[ . 1 . 2]" 1
351 1 12 ALA C 1 53 ILE MG 4.220 . 4.720 2.357 2.134 2.764 . 0 0 "[ . 1 . 2]" 1
352 1 12 ALA C 1 54 LYS QG 5.580 . 6.080 5.479 4.418 6.510 0.430 8 0 "[ . 1 . 2]" 1
353 1 12 ALA H 1 20 PHE HB3 5.160 . 5.660 3.819 3.247 4.170 . 0 0 "[ . 1 . 2]" 1
354 1 12 ALA H 1 21 TYR H 3.640 . 4.140 2.853 2.448 3.235 . 0 0 "[ . 1 . 2]" 1
355 1 12 ALA H 1 21 TYR QD 5.890 . 6.390 5.271 4.992 5.409 . 0 0 "[ . 1 . 2]" 1
356 1 12 ALA H 1 22 ARG HA 4.320 . 4.820 3.797 3.352 4.028 . 0 0 "[ . 1 . 2]" 1
357 1 12 ALA H 1 23 ALA MB 4.880 . 5.380 3.197 3.018 3.637 . 0 0 "[ . 1 . 2]" 1
358 1 12 ALA H 1 37 VAL QG 6.200 . 6.700 4.459 4.267 4.680 . 0 0 "[ . 1 . 2]" 1
359 1 12 ALA H 1 53 ILE MG 6.400 . 6.900 3.874 3.617 4.203 . 0 0 "[ . 1 . 2]" 1
360 1 12 ALA HA 1 13 LEU H 2.820 . 3.320 2.105 2.023 2.200 . 0 0 "[ . 1 . 2]" 1
361 1 12 ALA HA 1 13 LEU HA 5.100 . 5.600 4.378 4.248 4.488 . 0 0 "[ . 1 . 2]" 1
362 1 12 ALA HA 1 13 LEU QB 4.460 . 4.960 3.870 3.751 4.012 . 0 0 "[ . 1 . 2]" 1
363 1 12 ALA HA 1 20 PHE QD 4.380 . 4.880 3.286 2.991 3.754 . 0 0 "[ . 1 . 2]" 1
364 1 12 ALA HA 1 37 VAL QG 6.290 . 6.790 3.920 3.668 4.159 . 0 0 "[ . 1 . 2]" 1
365 1 12 ALA HA 1 53 ILE H 4.660 . 5.160 4.735 4.549 4.853 . 0 0 "[ . 1 . 2]" 1
366 1 12 ALA HA 1 53 ILE HA 3.220 . 3.720 2.102 2.017 2.199 . 0 0 "[ . 1 . 2]" 1
367 1 12 ALA HA 1 53 ILE HB 4.760 . 5.260 4.568 4.376 4.812 . 0 0 "[ . 1 . 2]" 1
368 1 12 ALA HA 1 53 ILE MD 5.940 . 6.440 4.466 4.143 4.783 . 0 0 "[ . 1 . 2]" 1
369 1 12 ALA HA 1 53 ILE QG 5.860 . 6.360 2.856 2.602 3.285 . 0 0 "[ . 1 . 2]" 1
370 1 12 ALA HA 1 53 ILE MG 4.080 . 4.580 2.540 2.243 2.714 . 0 0 "[ . 1 . 2]" 1
371 1 12 ALA HA 1 54 LYS H 4.020 . 4.520 3.381 3.152 3.549 . 0 0 "[ . 1 . 2]" 1
372 1 12 ALA MB 1 13 LEU CD1 5.100 . 5.600 6.614 6.425 6.787 1.187 10 20 [******-**+**********] 1
373 1 12 ALA MB 1 13 LEU H 3.730 . 4.230 3.031 2.763 3.138 . 0 0 "[ . 1 . 2]" 1
374 1 12 ALA MB 1 13 LEU HA 6.050 . 6.550 4.524 4.340 4.717 . 0 0 "[ . 1 . 2]" 1
375 1 12 ALA MB 1 13 LEU QD 4.460 . 4.960 5.098 4.976 5.220 0.260 10 0 "[ . 1 . 2]" 1
376 1 12 ALA MB 1 13 LEU HG 2.820 . 3.320 6.315 6.117 6.482 3.162 16 20 [******-********+****] 1
377 1 12 ALA MB 1 20 PHE CD2 4.380 . 4.880 5.161 4.543 5.860 0.980 19 6 "[* -*. 1 .* +*]" 1
378 1 12 ALA MB 1 20 PHE CE2 5.160 . 5.660 6.684 5.541 7.996 2.336 20 11 "[****. *1 -** **+]" 1
379 1 12 ALA MB 1 20 PHE HB3 6.460 . 6.960 5.069 4.794 5.372 . 0 0 "[ . 1 . 2]" 1
380 1 12 ALA MB 1 21 TYR CD2 5.890 . 6.390 5.950 5.288 6.282 . 0 0 "[ . 1 . 2]" 1
381 1 12 ALA MB 1 21 TYR CZ 3.640 . 4.140 7.879 7.582 8.240 4.100 10 20 [*****-***+**********] 1
382 1 12 ALA MB 1 21 TYR H 5.390 . 5.890 3.785 3.540 4.103 . 0 0 "[ . 1 . 2]" 1
383 1 12 ALA MB 1 22 ARG QD 4.320 . 4.820 7.733 7.099 7.996 3.176 7 20 [***-**+*************] 1
384 1 12 ALA MB 1 23 ALA C 4.880 . 5.380 2.274 2.086 2.556 . 0 0 "[ . 1 . 2]" 1
385 1 12 ALA MB 1 37 VAL C 6.200 . 6.700 2.031 1.875 2.266 . 0 0 "[ . 1 . 2]" 1
386 1 12 ALA MB 1 37 VAL CG2 6.290 . 6.790 1.996 1.848 2.217 . 0 0 "[ . 1 . 2]" 1
387 1 12 ALA MB 1 37 VAL QG 4.050 . 4.550 2.035 1.877 2.271 . 0 0 "[ . 1 . 2]" 1
388 1 12 ALA MB 1 53 ILE C 5.940 . 6.440 3.447 2.999 3.863 . 0 0 "[ . 1 . 2]" 1
389 1 12 ALA MB 1 53 ILE CD1 4.080 . 4.580 3.333 2.891 3.783 . 0 0 "[ . 1 . 2]" 1
390 1 12 ALA MB 1 53 ILE CG1 4.760 . 5.260 3.353 3.060 3.816 . 0 0 "[ . 1 . 2]" 1
391 1 12 ALA MB 1 53 ILE HA 4.220 . 4.720 3.492 3.228 3.597 . 0 0 "[ . 1 . 2]" 1
392 1 12 ALA MB 1 53 ILE HB 5.900 . 6.400 4.646 4.428 5.094 . 0 0 "[ . 1 . 2]" 1
393 1 12 ALA MB 1 53 ILE MD 5.800 . 6.300 3.534 3.028 4.009 . 0 0 "[ . 1 . 2]" 1
394 1 12 ALA MB 1 53 ILE QG 5.860 . 6.360 2.443 2.106 2.938 . 0 0 "[ . 1 . 2]" 1
395 1 12 ALA MB 1 53 ILE MG . . 3.720 2.371 2.139 2.792 . 0 0 "[ . 1 . 2]" 1
396 1 12 ALA MB 1 54 LYS H 5.580 . 6.080 4.629 4.387 4.744 . 0 0 "[ . 1 . 2]" 1
397 1 12 ALA MB 1 54 LYS QG 4.020 . 4.520 6.377 5.341 7.422 2.902 15 20 [***********-**+*****] 1
398 1 13 LEU C 1 48 VAL CB 8.780 . 9.280 4.180 3.999 4.541 . 0 0 "[ . 1 . 2]" 1
399 1 13 LEU CD1 1 14 TYR CZ 3.050 . 3.550 10.096 9.715 10.471 6.921 3 20 [**+******-**********] 1
400 1 13 LEU CD1 1 18 ASN ND2 5.250 . 5.750 4.133 3.621 5.068 . 0 0 "[ . 1 . 2]" 1
401 1 13 LEU CD1 1 19 LYS CD 5.490 . 5.990 6.455 5.885 7.115 1.125 14 8 "[ * .* *- *+** 2]" 1
402 1 13 LEU CD1 1 20 PHE CD2 4.750 . 5.250 3.632 3.371 3.919 . 0 0 "[ . 1 . 2]" 1
403 1 13 LEU CD1 1 20 PHE CE2 5.040 . 5.540 4.168 3.696 4.711 . 0 0 "[ . 1 . 2]" 1
404 1 13 LEU CD1 1 20 PHE CZ 3.370 . 3.870 4.027 3.727 4.531 0.661 12 1 "[ . 1 + . 2]" 1
405 1 13 LEU CD1 1 20 PHE QE 4.920 . 5.420 3.951 3.722 4.284 . 0 0 "[ . 1 . 2]" 1
406 1 13 LEU CD1 1 21 TYR C 6.020 . 6.520 5.965 5.633 6.188 . 0 0 "[ . 1 . 2]" 1
407 1 13 LEU CD1 1 21 TYR CZ 4.210 . 4.710 8.121 7.628 8.574 3.864 14 20 [******-******+******] 1
408 1 13 LEU CD1 1 48 VAL CB 7.620 . 8.120 8.484 8.321 8.645 0.525 10 1 "[ . + . 2]" 1
409 1 13 LEU CD2 1 48 VAL CB 8.780 . 9.280 5.845 5.474 6.057 . 0 0 "[ . 1 . 2]" 1
410 1 13 LEU CG 1 14 TYR H 5.500 . 6.000 3.899 3.283 4.370 . 0 0 "[ . 1 . 2]" 1
411 1 13 LEU CG 1 14 TYR QB 6.840 . 7.340 5.344 4.966 5.668 . 0 0 "[ . 1 . 2]" 1
412 1 13 LEU CG 1 15 TRP HA 7.360 . 7.860 5.843 5.361 6.081 . 0 0 "[ . 1 . 2]" 1
413 1 13 LEU CG 1 18 ASN H 6.490 . 6.990 6.039 5.767 6.350 . 0 0 "[ . 1 . 2]" 1
414 1 13 LEU CG 1 18 ASN HA 5.100 . 5.600 3.882 3.717 4.110 . 0 0 "[ . 1 . 2]" 1
415 1 13 LEU CG 1 18 ASN HB2 6.600 . 7.100 5.778 5.598 5.939 . 0 0 "[ . 1 . 2]" 1
416 1 13 LEU CG 1 18 ASN HB3 5.910 . 6.410 5.821 5.523 5.991 . 0 0 "[ . 1 . 2]" 1
417 1 13 LEU CG 1 19 LYS H 5.870 . 6.370 5.252 4.796 5.713 . 0 0 "[ . 1 . 2]" 1
418 1 13 LEU CG 1 19 LYS HA 5.940 . 6.440 5.231 4.856 5.673 . 0 0 "[ . 1 . 2]" 1
419 1 13 LEU CG 1 20 PHE H 6.500 . 7.000 5.616 5.177 6.155 . 0 0 "[ . 1 . 2]" 1
420 1 13 LEU CG 1 20 PHE HA 6.000 . 6.500 4.796 4.535 5.062 . 0 0 "[ . 1 . 2]" 1
421 1 13 LEU CG 1 20 PHE QE 6.600 . 7.100 4.178 3.680 4.460 . 0 0 "[ . 1 . 2]" 1
422 1 13 LEU CG 1 48 VAL CB 9.140 . 9.640 7.241 6.966 7.411 . 0 0 "[ . 1 . 2]" 1
423 1 13 LEU CG 1 52 ASN QB 7.700 . 8.200 3.588 3.286 3.984 . 0 0 "[ . 1 . 2]" 1
424 1 13 LEU H 1 13 LEU QB 3.080 . 3.580 2.131 2.074 2.248 . 0 0 "[ . 1 . 2]" 1
425 1 13 LEU H 1 13 LEU HG 4.730 . 5.230 4.508 4.404 4.612 . 0 0 "[ . 1 . 2]" 1
426 1 13 LEU H 1 20 PHE QD 4.200 . 4.700 3.010 2.728 3.445 . 0 0 "[ . 1 . 2]" 1
427 1 13 LEU H 1 48 VAL CB 5.810 . 6.310 4.944 4.583 5.279 . 0 0 "[ . 1 . 2]" 1
428 1 13 LEU H 1 52 ASN HA 4.840 . 5.340 4.373 4.157 4.736 . 0 0 "[ . 1 . 2]" 1
429 1 13 LEU H 1 52 ASN HB2 4.480 . 4.980 4.579 4.375 4.730 . 0 0 "[ . 1 . 2]" 1
430 1 13 LEU H 1 52 ASN QB 4.420 . 4.920 3.380 3.164 3.540 . 0 0 "[ . 1 . 2]" 1
431 1 13 LEU H 1 52 ASN HB3 4.480 . 4.980 3.483 3.220 3.669 . 0 0 "[ . 1 . 2]" 1
432 1 13 LEU H 1 53 ILE HA 3.680 . 4.180 3.002 2.874 3.099 . 0 0 "[ . 1 . 2]" 1
433 1 13 LEU H 1 53 ILE HB 5.500 . 6.000 5.616 5.499 5.811 . 0 0 "[ . 1 . 2]" 1
434 1 13 LEU H 1 53 ILE MG 5.070 . 5.570 4.233 3.905 4.397 . 0 0 "[ . 1 . 2]" 1
435 1 13 LEU H 1 54 LYS H 4.280 . 4.780 4.337 4.132 4.502 . 0 0 "[ . 1 . 2]" 1
436 1 13 LEU HA 1 13 LEU HG 3.990 . 4.490 3.240 3.023 3.379 . 0 0 "[ . 1 . 2]" 1
437 1 13 LEU HA 1 14 TYR H 3.050 . 3.550 2.168 2.057 2.295 . 0 0 "[ . 1 . 2]" 1
438 1 13 LEU HA 1 18 ASN HA 5.250 . 5.750 4.823 4.506 5.023 . 0 0 "[ . 1 . 2]" 1
439 1 13 LEU HA 1 19 LYS HA 5.490 . 5.990 4.635 4.414 4.900 . 0 0 "[ . 1 . 2]" 1
440 1 13 LEU HA 1 20 PHE H 4.920 . 5.420 4.119 3.880 4.463 . 0 0 "[ . 1 . 2]" 1
441 1 13 LEU HA 1 20 PHE HA 3.370 . 3.870 2.179 1.938 2.495 . 0 0 "[ . 1 . 2]" 1
442 1 13 LEU HA 1 20 PHE HB3 5.040 . 5.540 4.133 3.744 4.491 . 0 0 "[ . 1 . 2]" 1
443 1 13 LEU HA 1 20 PHE QD 4.750 . 5.250 3.284 2.969 3.660 . 0 0 "[ . 1 . 2]" 1
444 1 13 LEU HA 1 21 TYR H 4.210 . 4.710 3.776 3.573 4.015 . 0 0 "[ . 1 . 2]" 1
445 1 13 LEU HA 1 21 TYR QE 6.020 . 6.520 5.259 4.854 5.440 . 0 0 "[ . 1 . 2]" 1
446 1 13 LEU HA 1 48 VAL CB 7.620 . 8.120 6.946 6.710 7.345 . 0 0 "[ . 1 . 2]" 1
447 1 13 LEU QB 1 14 TYR CE2 6.840 . 7.340 8.492 8.258 8.605 1.265 19 20 [*****-************+*] 1
448 1 13 LEU QB 1 14 TYR CZ 5.500 . 6.000 9.167 8.887 9.287 3.287 12 20 [*****-*****+********] 1
449 1 13 LEU QB 1 14 TYR H 4.730 . 5.230 3.862 3.586 4.000 . 0 0 "[ . 1 . 2]" 1
450 1 13 LEU QB 1 14 TYR HA 5.300 . 5.800 4.782 4.559 4.942 . 0 0 "[ . 1 . 2]" 1
451 1 13 LEU QB 1 15 TRP CH2 7.360 . 7.860 11.727 11.345 12.138 4.278 13 20 [*-**********+*******] 1
452 1 13 LEU QB 1 18 ASN QD . . 6.410 4.814 3.925 5.833 . 0 0 "[ . 1 . 2]" 1
453 1 13 LEU QB 1 18 ASN ND2 5.100 . 5.600 5.426 4.530 6.382 0.782 4 3 "[ +. 1- . * 2]" 1
454 1 13 LEU QB 1 18 ASN OD1 6.490 . 6.990 5.391 4.755 6.187 . 0 0 "[ . 1 . 2]" 1
455 1 13 LEU QB 1 19 LYS CD 5.940 . 6.440 7.854 7.466 8.218 1.778 14 20 [**********-**+******] 1
456 1 13 LEU QB 1 19 LYS QG 5.870 . 6.370 7.359 7.145 7.623 1.253 16 20 [-**************+****] 1
457 1 13 LEU QB 1 20 PHE C 6.600 . 7.100 3.834 2.750 5.414 . 0 0 "[ . 1 . 2]" 1
458 1 13 LEU QB 1 20 PHE CZ 6.000 . 6.500 3.528 2.988 4.018 . 0 0 "[ . 1 . 2]" 1
459 1 13 LEU QB 1 20 PHE HA 5.460 . 5.960 3.960 3.726 4.222 . 0 0 "[ . 1 . 2]" 1
460 1 13 LEU QB 1 20 PHE QD 6.010 . 6.510 2.974 2.405 3.351 . 0 0 "[ . 1 . 2]" 1
461 1 13 LEU QB 1 20 PHE QE 6.170 . 6.670 2.604 2.285 2.986 . 0 0 "[ . 1 . 2]" 1
462 1 13 LEU QB 1 48 VAL CB 6.480 . 6.980 5.013 4.759 5.166 . 0 0 "[ . 1 . 2]" 1
463 1 13 LEU QB 1 52 ASN HA . . 4.730 3.108 2.889 3.326 . 0 0 "[ . 1 . 2]" 1
464 1 13 LEU QB 1 52 ASN QB 3.950 . 4.450 1.968 1.840 2.105 . 0 0 "[ . 1 . 2]" 1
465 1 13 LEU QB 1 52 ASN QD 7.700 . 8.200 3.754 2.875 4.325 . 0 0 "[ . 1 . 2]" 1
466 1 13 LEU QB 1 53 ILE H 5.380 . 5.720 4.727 4.505 4.811 . 0 0 "[ . 1 . 2]" 1
467 1 13 LEU QB 1 53 ILE HA 4.510 . 5.010 4.075 3.915 4.196 . 0 0 "[ . 1 . 2]" 1
468 1 13 LEU QB 1 54 LYS H 5.100 . 5.600 4.866 4.703 5.052 . 0 0 "[ . 1 . 2]" 1
469 1 13 LEU QD 1 14 TYR CE2 5.990 . 6.490 7.100 6.844 7.378 0.888 3 16 "[**+** ***1* -******]" 1
470 1 13 LEU QD 1 14 TYR CZ 4.730 . 5.230 7.863 7.544 8.128 2.898 3 20 [**+******-**********] 1
471 1 13 LEU QD 1 14 TYR OH 5.300 . 5.800 8.865 8.536 9.126 3.326 3 20 [**+******-**********] 1
472 1 13 LEU QD 1 15 TRP CH2 4.900 . 5.400 9.712 9.530 10.072 4.672 3 20 [**+**-**************] 1
473 1 13 LEU QD 1 18 ASN QD 5.500 . 5.840 2.430 1.788 3.081 0.012 14 0 "[ . 1 . 2]" 1
474 1 13 LEU QD 1 18 ASN ND2 3.700 . 4.200 2.788 2.311 3.390 . 0 0 "[ . 1 . 2]" 1
475 1 13 LEU QD 1 19 LYS QG 5.310 . 5.810 4.549 4.311 4.907 . 0 0 "[ . 1 . 2]" 1
476 1 13 LEU QD 1 20 PHE C 6.170 . 6.670 3.501 3.040 3.832 . 0 0 "[ . 1 . 2]" 1
477 1 13 LEU QD 1 20 PHE CD2 6.130 . 6.510 2.539 2.206 2.747 . 0 0 "[ . 1 . 2]" 1
478 1 13 LEU QD 1 20 PHE CZ 5.460 . 5.960 2.731 2.519 3.042 . 0 0 "[ . 1 . 2]" 1
479 1 13 LEU QD 1 48 VAL CB . . 6.980 6.048 5.669 6.267 . 0 0 "[ . 1 . 2]" 1
480 1 13 LEU QD 1 52 ASN QD 3.950 . 4.450 2.825 2.251 3.191 . 0 0 "[ . 1 . 2]" 1
481 1 13 LEU QD 1 52 ASN ND2 . . 4.730 2.930 2.445 3.309 . 0 0 "[ . 1 . 2]" 1
482 1 13 LEU QD 1 53 ILE MG . . 5.010 5.923 5.689 6.070 1.060 6 20 [*****+**********-***] 1
483 1 13 LEU QD 1 54 LYS QG 5.100 . 5.600 5.009 3.750 6.400 0.800 8 3 "[ * - + 1 . 2]" 1
484 1 13 LEU HG 1 14 TYR H 4.730 . 5.230 3.686 3.005 4.175 . 0 0 "[ . 1 . 2]" 1
485 1 13 LEU HG 1 14 TYR QB 5.990 . 6.490 4.900 4.446 5.299 . 0 0 "[ . 1 . 2]" 1
486 1 13 LEU HG 1 15 TRP HA 4.900 . 5.400 4.775 4.275 5.019 . 0 0 "[ . 1 . 2]" 1
487 1 13 LEU HG 1 18 ASN HA 3.700 . 4.200 3.194 2.910 3.511 . 0 0 "[ . 1 . 2]" 1
488 1 13 LEU HG 1 18 ASN HB2 5.500 . 6.000 5.087 4.858 5.237 . 0 0 "[ . 1 . 2]" 1
489 1 13 LEU HG 1 18 ASN HB3 5.340 . 5.840 5.418 5.065 5.598 . 0 0 "[ . 1 . 2]" 1
490 1 13 LEU HG 1 19 LYS H 5.310 . 5.810 4.931 4.333 5.457 . 0 0 "[ . 1 . 2]" 1
491 1 13 LEU HG 1 20 PHE CD2 4.200 . 4.700 4.786 4.543 5.053 0.353 4 0 "[ . 1 . 2]" 1
492 1 13 LEU HG 1 20 PHE QD 6.130 . 6.630 5.383 4.957 5.589 . 0 0 "[ . 1 . 2]" 1
493 1 13 LEU HG 1 20 PHE QE 6.170 . 6.670 5.117 4.675 5.345 . 0 0 "[ . 1 . 2]" 1
494 1 13 LEU HG 1 48 VAL CB . . 6.310 7.090 6.865 7.240 0.930 10 20 [*********+****-*****] 1
495 1 13 LEU HG 1 52 ASN HA 5.110 . 5.610 5.247 5.016 5.401 . 0 0 "[ . 1 . 2]" 1
496 1 13 LEU HG 1 52 ASN QB 4.550 . 5.050 3.832 3.500 4.075 . 0 0 "[ . 1 . 2]" 1
497 1 13 LEU HG 1 52 ASN QD 4.480 . 4.920 4.616 3.344 5.599 0.679 2 1 "[ + . 1 . 2]" 1
498 1 13 LEU HG 1 52 ASN ND2 4.840 . 5.340 5.040 4.096 5.876 0.536 2 1 "[ + . 1 . 2]" 1
499 1 13 LEU HG 1 53 ILE CD1 5.070 . 5.570 7.868 7.661 8.141 2.571 5 20 [****+**********-****] 1
500 1 13 LEU HG 1 53 ILE CG1 5.500 . 6.000 8.378 8.174 8.610 2.610 5 20 [-***+***************] 1
501 1 13 LEU HG 1 53 ILE MG 3.680 . 4.180 8.034 7.759 8.252 4.072 16 20 [-**************+****] 1
502 1 13 LEU HG 1 54 LYS QG 4.280 . 4.780 8.018 6.289 9.827 5.047 8 20 [*******+***********-] 1
503 1 14 TYR C 1 15 TRP CD2 5.060 . 5.560 4.630 4.392 4.778 . 0 0 "[ . 1 . 2]" 1
504 1 14 TYR C 1 15 TRP CE3 3.890 . 4.390 5.345 4.909 5.588 1.198 9 20 [-*******+***********] 1
505 1 14 TYR C 1 15 TRP HZ2 4.830 . 5.330 5.716 5.169 5.974 0.644 16 3 "[ - . * 1 .+ 2]" 1
506 1 14 TYR C 1 15 TRP HZ3 3.870 . 4.370 6.672 6.107 7.025 2.655 9 20 [-*******+***********] 1
507 1 14 TYR C 1 16 GLU C 4.270 . 4.770 4.088 3.921 4.231 . 0 0 "[ . 1 . 2]" 1
508 1 14 TYR C 1 16 GLU QG 4.510 . 5.010 3.406 2.569 3.676 . 0 0 "[ . 1 . 2]" 1
509 1 14 TYR C 1 16 GLU OE1 3.470 . 3.970 5.198 3.351 6.271 2.301 14 15 "[ **** * **-**+.****2]" 1
510 1 14 TYR C 1 16 GLU OE2 3.840 . 4.340 5.217 3.594 6.309 1.969 3 13 "[-*+ .*** * ***** *]" 1
511 1 14 TYR CD2 1 15 TRP CE3 4.980 . 5.480 4.952 4.279 5.397 . 0 0 "[ . 1 . 2]" 1
512 1 14 TYR CD2 1 15 TRP CH2 5.880 . 6.380 4.807 4.124 5.337 . 0 0 "[ . 1 . 2]" 1
513 1 14 TYR CD2 1 15 TRP HZ2 3.940 . 4.440 4.096 3.552 4.510 0.070 8 0 "[ . 1 . 2]" 1
514 1 14 TYR CD2 1 15 TRP HZ3 3.980 . 4.480 5.877 5.067 6.432 1.952 13 20 [-***********+*******] 1
515 1 14 TYR CD2 1 16 GLU C 4.670 . 5.170 4.349 4.162 4.587 . 0 0 "[ . 1 . 2]" 1
516 1 14 TYR CD2 1 16 GLU QG 4.870 . 5.370 3.062 2.551 3.379 . 0 0 "[ . 1 . 2]" 1
517 1 14 TYR CD2 1 16 GLU OE1 4.590 . 5.090 3.886 2.355 5.390 0.300 14 0 "[ . 1 . 2]" 1
518 1 14 TYR CD2 1 16 GLU OE2 5.100 . 5.600 4.098 2.523 5.785 0.185 3 0 "[ . 1 . 2]" 1
519 1 14 TYR CD2 1 21 TYR C 4.160 . 4.660 4.430 4.175 4.614 . 0 0 "[ . 1 . 2]" 1
520 1 14 TYR CD2 1 21 TYR CD2 5.170 . 5.670 3.508 2.847 3.788 . 0 0 "[ . 1 . 2]" 1
521 1 14 TYR CE2 1 15 TRP HZ2 4.460 . 4.960 3.290 2.581 4.359 . 0 0 "[ . 1 . 2]" 1
522 1 14 TYR CE2 1 16 GLU C 6.300 . 6.800 5.126 4.885 5.427 . 0 0 "[ . 1 . 2]" 1
523 1 14 TYR CE2 1 17 ASP OD1 4.530 . 5.030 4.935 4.500 5.962 0.932 13 3 "[- . 1* + . 2]" 1
524 1 14 TYR CE2 1 19 LYS QG 4.480 . 4.980 8.230 7.311 8.963 3.983 11 20 [**********+**-******] 1
525 1 14 TYR CE2 1 21 TYR C 3.790 . 4.290 5.500 5.146 5.711 1.421 4 20 [***+*********-******] 1
526 1 14 TYR CE2 1 21 TYR CD2 3.820 . 4.320 4.609 3.898 4.941 0.621 1 4 "[+ *. 1* - 2]" 1
527 1 14 TYR CE2 1 19 LYS QG 4.560 . 5.060 8.470 7.486 9.247 4.187 11 20 [**********+**-******] 1
528 1 14 TYR CE2 1 21 TYR C 3.940 . 4.440 5.663 5.281 5.885 1.445 1 20 [+************-******] 1
529 1 14 TYR CZ 1 15 TRP HZ2 4.610 . 5.110 4.159 3.362 5.044 . 0 0 "[ . 1 . 2]" 1
530 1 14 TYR CZ 1 19 LYS QG 4.120 . 4.620 9.530 8.636 10.318 5.698 11 20 [**********+**-******] 1
531 1 14 TYR CZ 1 21 TYR C 4.920 . 5.420 6.083 5.718 6.353 0.933 4 17 "[* *+*****1*** ***-**]" 1
532 1 14 TYR CZ 1 21 TYR CD2 4.200 . 4.700 5.470 4.785 5.832 1.132 11 17 "[*-*******1+** * ****]" 1
533 1 14 TYR H 1 14 TYR HB2 4.020 . 4.520 2.310 2.047 2.603 . 0 0 "[ . 1 . 2]" 1
534 1 14 TYR H 1 14 TYR HB3 4.020 . 4.520 2.667 2.487 2.846 . 0 0 "[ . 1 . 2]" 1
535 1 14 TYR H 1 14 TYR QD 4.640 . 5.140 4.099 3.890 4.233 . 0 0 "[ . 1 . 2]" 1
536 1 14 TYR H 1 15 TRP H 4.610 . 5.110 4.459 4.303 4.616 . 0 0 "[ . 1 . 2]" 1
537 1 14 TYR H 1 19 LYS H 4.120 . 4.620 3.511 3.005 3.875 . 0 0 "[ . 1 . 2]" 1
538 1 14 TYR H 1 21 TYR QD 4.200 . 4.700 2.921 2.363 3.570 . 0 0 "[ . 1 . 2]" 1
539 1 14 TYR H 1 21 TYR QE 4.920 . 5.420 3.625 3.126 4.007 . 0 0 "[ . 1 . 2]" 1
540 1 14 TYR HA 1 14 TYR QD 3.490 . 3.990 2.175 1.980 2.401 . 0 0 "[ . 1 . 2]" 1
541 1 14 TYR HA 1 15 TRP H 3.190 . 3.690 2.657 2.411 2.789 . 0 0 "[ . 1 . 2]" 1
542 1 14 TYR HA 1 15 TRP HA 5.110 . 5.610 4.423 4.209 4.565 . 0 0 "[ . 1 . 2]" 1
543 1 14 TYR HA 1 15 TRP HB3 5.020 . 5.520 4.116 3.787 4.546 . 0 0 "[ . 1 . 2]" 1
544 1 14 TYR HA 1 21 TYR QD 5.030 . 5.530 4.421 4.269 4.586 . 0 0 "[ . 1 . 2]" 1
545 1 14 TYR QB 1 15 TRP H 4.460 . 4.960 2.747 2.279 3.038 . 0 0 "[ . 1 . 2]" 1
546 1 14 TYR QB 1 16 GLU QG 6.300 . 6.800 4.962 4.084 5.210 . 0 0 "[ . 1 . 2]" 1
547 1 14 TYR QB 1 17 ASP H 4.530 . 5.030 3.436 2.956 4.095 . 0 0 "[ . 1 . 2]" 1
548 1 14 TYR QB 1 19 LYS H 4.480 . 4.980 2.882 2.494 3.306 . 0 0 "[ . 1 . 2]" 1
549 1 14 TYR QB 1 21 TYR QD 3.820 . 4.320 2.120 1.983 2.351 . 0 0 "[ . 1 . 2]" 1
550 1 14 TYR QB 1 21 TYR QE 3.790 . 4.290 2.164 2.023 2.344 . 0 0 "[ . 1 . 2]" 1
551 1 14 TYR HB2 1 19 LYS H 4.560 . 5.060 4.134 3.331 4.725 . 0 0 "[ . 1 . 2]" 1
552 1 14 TYR HB2 1 21 TYR QE 3.940 . 4.440 2.649 2.182 3.122 . 0 0 "[ . 1 . 2]" 1
553 1 14 TYR HB3 1 19 LYS H 4.560 . 5.060 2.943 2.546 3.379 . 0 0 "[ . 1 . 2]" 1
554 1 14 TYR HB3 1 21 TYR QE 3.940 . 4.440 2.382 2.075 2.886 . 0 0 "[ . 1 . 2]" 1
555 1 14 TYR QD 1 15 TRP H 3.940 . 4.440 2.840 2.582 2.964 . 0 0 "[ . 1 . 2]" 1
556 1 14 TYR QD 1 15 TRP HA 5.880 . 6.380 5.092 4.729 5.261 . 0 0 "[ . 1 . 2]" 1
557 1 14 TYR QD 1 15 TRP HD1 3.980 . 4.480 3.211 2.914 3.641 . 0 0 "[ . 1 . 2]" 1
558 1 14 TYR QD 1 15 TRP HE1 4.980 . 5.480 4.152 3.617 4.491 . 0 0 "[ . 1 . 2]" 1
559 1 14 TYR QD 1 16 GLU H 4.870 . 5.370 3.004 1.949 3.714 . 0 0 "[ . 1 . 2]" 1
560 1 14 TYR QD 1 16 GLU QB 4.590 . 5.090 2.336 2.007 2.508 . 0 0 "[ . 1 . 2]" 1
561 1 14 TYR QD 1 16 GLU QG 4.670 . 5.170 3.420 2.574 3.698 . 0 0 "[ . 1 . 2]" 1
562 1 14 TYR QD 1 21 TYR QD 5.170 . 5.670 4.072 3.886 4.214 . 0 0 "[ . 1 . 2]" 1
563 1 14 TYR QD 1 21 TYR QE 4.160 . 4.660 3.097 2.400 3.348 . 0 0 "[ . 1 . 2]" 1
564 1 14 TYR QE 1 15 TRP H 4.830 . 5.330 3.849 3.583 4.061 . 0 0 "[ . 1 . 2]" 1
565 1 14 TYR QE 1 15 TRP HD1 3.870 . 4.370 3.278 2.806 3.517 . 0 0 "[ . 1 . 2]" 1
566 1 14 TYR QE 1 15 TRP HE1 3.890 . 4.390 2.643 2.199 3.054 . 0 0 "[ . 1 . 2]" 1
567 1 14 TYR QE 1 15 TRP HZ2 5.060 . 5.560 4.185 3.627 4.637 . 0 0 "[ . 1 . 2]" 1
568 1 14 TYR QE 1 16 GLU H 4.510 . 5.010 3.494 3.074 3.891 . 0 0 "[ . 1 . 2]" 1
569 1 14 TYR QE 1 16 GLU QB 3.470 . 3.970 2.155 2.010 2.437 . 0 0 "[ . 1 . 2]" 1
570 1 14 TYR QE 1 16 GLU QG 4.270 . 4.770 3.196 2.587 3.552 . 0 0 "[ . 1 . 2]" 1
571 1 14 TYR HH 1 19 LYS QG 4.560 . 5.060 11.191 10.249 12.029 6.969 11 20 [**********+**-******] 1
572 1 14 TYR HH 1 21 TYR C 3.940 . 4.440 7.464 7.114 7.813 3.373 11 20 [**********+**-******] 1
573 1 14 TYR OH 1 15 TRP CH2 5.110 . 5.610 4.944 4.274 6.073 0.463 13 0 "[ . 1 . 2]" 1
574 1 14 TYR OH 1 15 TRP CZ3 5.020 . 5.520 5.837 5.203 6.802 1.282 13 5 "[ * . * 1 +*. - 2]" 1
575 1 14 TYR OH 1 15 TRP HZ2 3.190 . 3.690 3.365 2.641 4.366 0.676 13 1 "[ . 1 + . 2]" 1
576 1 14 TYR OH 1 21 TYR CD2 5.030 . 5.530 6.435 5.626 6.798 1.268 1 19 "[+********-*** ******]" 1
577 1 15 TRP CD2 1 16 GLU OE1 4.710 . 5.210 6.100 5.500 7.208 1.998 13 15 "[* **** **1**+** - **]" 1
578 1 15 TRP CD2 1 16 GLU OE2 5.410 . 5.910 6.913 5.651 7.641 1.731 3 17 "[**+*** **1*** *****-]" 1
579 1 15 TRP CH2 1 16 GLU CD 5.000 . 5.500 5.255 3.992 6.456 0.956 13 2 "[ -. 1 + . 2]" 1
580 1 15 TRP CH2 1 17 ASP OD1 4.730 . 5.230 8.723 8.103 9.413 4.183 11 20 [*-********+*********] 1
581 1 15 TRP CH2 1 18 ASN OD1 4.120 . 4.620 12.048 10.869 13.040 8.420 18 20 [***-*************+**] 1
582 1 15 TRP H 1 15 TRP HB2 3.860 . 4.360 3.775 3.707 3.859 . 0 0 "[ . 1 . 2]" 1
583 1 15 TRP H 1 15 TRP HB3 3.450 . 3.950 3.093 2.742 3.347 . 0 0 "[ . 1 . 2]" 1
584 1 15 TRP H 1 15 TRP HD1 3.040 . 3.540 2.791 2.387 3.055 . 0 0 "[ . 1 . 2]" 1
585 1 15 TRP H 1 16 GLU H 4.120 . 4.620 2.095 1.772 2.447 0.028 17 0 "[ . 1 . 2]" 1
586 1 15 TRP H 1 21 TYR QE 5.530 . 6.030 5.047 4.740 5.195 . 0 0 "[ . 1 . 2]" 1
587 1 15 TRP HA 1 15 TRP HB2 2.880 . 3.380 2.449 2.363 2.528 . 0 0 "[ . 1 . 2]" 1
588 1 15 TRP HA 1 15 TRP HB3 2.940 . 3.440 2.449 2.313 2.577 . 0 0 "[ . 1 . 2]" 1
589 1 15 TRP HA 1 15 TRP HD1 4.590 . 5.090 4.451 4.223 4.617 . 0 0 "[ . 1 . 2]" 1
590 1 15 TRP HA 1 16 GLU HA 5.000 . 5.500 4.945 4.821 5.112 . 0 0 "[ . 1 . 2]" 1
591 1 15 TRP HA 1 17 ASP H 4.730 . 5.230 4.439 4.143 4.723 . 0 0 "[ . 1 . 2]" 1
592 1 15 TRP HA 1 18 ASN H 4.120 . 4.620 3.572 2.960 4.032 . 0 0 "[ . 1 . 2]" 1
593 1 15 TRP HB2 1 15 TRP HD1 3.880 . 4.380 3.792 3.717 3.893 . 0 0 "[ . 1 . 2]" 1
594 1 15 TRP HB3 1 15 TRP HD1 3.310 . 3.810 2.653 2.551 2.779 . 0 0 "[ . 1 . 2]" 1
595 1 15 TRP HD1 1 16 GLU QB 5.500 . 6.000 4.924 4.589 5.291 . 0 0 "[ . 1 . 2]" 1
596 1 15 TRP HH2 1 16 GLU QB . . 4.830 3.737 3.385 4.146 . 0 0 "[ . 1 . 2]" 1
597 1 15 TRP HZ2 1 16 GLU QB 4.710 . 5.210 3.900 3.383 4.391 . 0 0 "[ . 1 . 2]" 1
598 1 15 TRP HZ2 1 16 GLU QG 4.120 . 4.620 5.745 4.927 6.485 1.865 4 18 "[***+********* ** -**]" 1
599 1 15 TRP HZ2 1 21 TYR C 5.530 . 6.030 9.598 8.873 9.984 3.954 8 20 [*-*****+************] 1
600 1 15 TRP HZ3 1 16 GLU OE2 5.500 . 6.000 6.228 3.847 8.574 2.574 13 8 "[ -** **1* + . *2]" 1
601 1 15 TRP O 1 16 GLU OE1 4.330 . 4.830 6.756 5.427 7.476 2.646 6 20 [*****+**********-***] 1
602 1 15 TRP O 1 16 GLU OE2 5.500 . 6.000 7.202 5.998 7.742 1.742 8 17 "[*-**** +******* * **]" 1
603 1 16 GLU C 1 17 ASP OD1 4.030 . 4.530 3.983 3.772 4.237 . 0 0 "[ . 1 . 2]" 1
604 1 16 GLU C 1 18 ASN OD1 5.520 . 6.020 7.032 6.378 7.400 1.380 19 19 "[****** ********-**+*]" 1
605 1 16 GLU CD 1 18 ASN OD1 5.090 . 5.590 11.428 10.536 12.221 6.631 15 20 [**************+-****] 1
606 1 16 GLU H 1 16 GLU QB 3.340 . 3.710 2.009 1.843 2.160 . 0 0 "[ . 1 . 2]" 1
607 1 16 GLU H 1 17 ASP H 3.650 . 4.150 2.824 2.576 3.154 . 0 0 "[ . 1 . 2]" 1
608 1 16 GLU HA 1 18 ASN H 5.090 . 5.590 4.698 4.431 4.942 . 0 0 "[ . 1 . 2]" 1
609 1 16 GLU QB 1 17 ASP H 3.980 . 4.480 2.627 2.180 3.270 . 0 0 "[ . 1 . 2]" 1
610 1 16 GLU QB 1 17 ASP HA 5.500 . 6.000 4.703 4.438 5.121 . 0 0 "[ . 1 . 2]" 1
611 1 16 GLU QB 1 18 ASN H 5.500 . 6.000 4.232 3.909 4.673 . 0 0 "[ . 1 . 2]" 1
612 1 16 GLU QG 1 17 ASP H 4.030 . 4.530 2.931 2.365 3.292 . 0 0 "[ . 1 . 2]" 1
613 1 16 GLU QG 1 17 ASP OD1 3.650 . 4.150 3.782 2.732 4.501 0.351 10 0 "[ . 1 . 2]" 1
614 1 16 GLU QG 1 18 ASN H 5.520 . 6.020 4.648 4.030 4.952 . 0 0 "[ . 1 . 2]" 1
615 1 16 GLU OE1 1 17 ASP OD1 3.980 . 4.480 6.472 4.512 7.355 2.875 10 19 [-********+*********2] 1
616 1 16 GLU OE1 1 17 ASP OD2 5.500 . 6.000 6.250 3.944 7.736 1.736 10 6 "[ * *. - +* . * 2]" 1
617 1 16 GLU OE1 1 18 ASN OD1 5.500 . 6.000 11.917 10.590 12.779 6.779 19 20 [****************-*+*] 1
618 1 16 GLU OE2 1 17 ASP OD1 4.040 . 4.540 6.197 5.030 7.647 3.107 10 19 "[*********+-* *******]" 1
619 1 17 ASP C 1 17 ASP OD1 4.000 . 4.500 3.040 2.900 3.298 . 0 0 "[ . 1 . 2]" 1
620 1 17 ASP C 1 17 ASP OD2 2.940 . 3.440 4.294 3.813 4.515 1.075 2 19 "[ +*****************-]" 1
621 1 17 ASP C 1 18 ASN QD 5.330 . 5.830 4.864 4.678 5.111 . 0 0 "[ . 1 . 2]" 1
622 1 17 ASP C 1 18 ASN OD1 5.060 . 5.560 5.314 5.122 5.461 . 0 0 "[ . 1 . 2]" 1
623 1 17 ASP C 1 19 LYS QD 4.340 . 4.840 6.182 5.720 6.612 1.772 13 20 [*-**********+*******] 1
624 1 17 ASP C 1 19 LYS QG 5.200 . 5.700 4.498 3.918 4.899 . 0 0 "[ . 1 . 2]" 1
625 1 17 ASP H 1 17 ASP HB2 4.000 . 4.500 3.757 3.617 3.929 . 0 0 "[ . 1 . 2]" 1
626 1 17 ASP H 1 18 ASN H 2.900 . 3.400 1.929 1.789 2.098 0.011 19 0 "[ . 1 . 2]" 1
627 1 17 ASP H 1 18 ASN HA 4.280 . 4.780 4.109 3.864 4.298 . 0 0 "[ . 1 . 2]" 1
628 1 17 ASP H 1 18 ASN HB2 4.980 . 5.480 4.633 4.369 4.825 . 0 0 "[ . 1 . 2]" 1
629 1 17 ASP H 1 18 ASN HB3 5.500 . 6.000 5.343 5.136 5.514 . 0 0 "[ . 1 . 2]" 1
630 1 17 ASP H 1 19 LYS H 3.830 . 4.330 3.714 3.443 3.889 . 0 0 "[ . 1 . 2]" 1
631 1 17 ASP HA 1 17 ASP HB2 2.940 . 3.440 2.500 2.244 2.633 . 0 0 "[ . 1 . 2]" 1
632 1 17 ASP HA 1 17 ASP HB3 2.900 . 3.400 2.411 2.294 2.576 . 0 0 "[ . 1 . 2]" 1
633 1 17 ASP HA 1 18 ASN HB2 4.300 . 4.800 4.356 4.211 4.503 . 0 0 "[ . 1 . 2]" 1
634 1 17 ASP HB2 1 18 ASN H 5.060 . 5.560 4.200 3.921 4.445 . 0 0 "[ . 1 . 2]" 1
635 1 17 ASP HB2 1 18 ASN HB3 5.330 . 5.830 5.293 5.058 5.539 . 0 0 "[ . 1 . 2]" 1
636 1 17 ASP HB2 1 19 LYS H 5.200 . 5.700 4.240 3.458 5.234 . 0 0 "[ . 1 . 2]" 1
637 1 17 ASP HB2 1 19 LYS HB2 4.340 . 4.840 3.760 3.107 4.431 . 0 0 "[ . 1 . 2]" 1
638 1 17 ASP HB3 1 18 ASN H 4.890 . 5.390 4.399 4.162 4.633 . 0 0 "[ . 1 . 2]" 1
639 1 17 ASP HB3 1 19 LYS H 5.500 . 6.000 5.065 4.680 5.465 . 0 0 "[ . 1 . 2]" 1
640 1 17 ASP HB3 1 19 LYS HB2 4.850 . 5.350 4.830 4.547 5.078 . 0 0 "[ . 1 . 2]" 1
641 1 17 ASP O 1 17 ASP OD2 2.900 . 3.400 4.709 3.754 5.216 1.816 3 19 "[ *+-****************]" 1
642 1 17 ASP O 1 18 ASN OD1 4.890 . 5.390 5.265 4.774 5.669 0.279 9 0 "[ . 1 . 2]" 1
643 1 17 ASP O 1 19 LYS QD 4.850 . 5.350 5.699 5.213 6.286 0.936 13 7 "[ .* * +-** * 2]" 1
644 1 17 ASP O 1 19 LYS QG 5.500 . 6.000 3.886 3.420 4.342 . 0 0 "[ . 1 . 2]" 1
645 1 17 ASP OD1 1 18 ASN QD 4.980 . 5.480 6.588 5.518 7.606 2.126 4 19 "[***+*****-******** *]" 1
646 1 17 ASP OD1 1 18 ASN ND2 4.280 . 4.780 7.257 6.334 8.113 3.333 4 20 [***+**************-*] 1
647 1 17 ASP OD1 1 18 ASN OD1 2.900 . 3.400 7.314 6.925 7.795 4.395 8 20 [*******+********-***] 1
648 1 17 ASP OD1 1 19 LYS QG 3.830 . 4.330 4.317 3.868 4.663 0.333 7 0 "[ . 1 . 2]" 1
649 1 17 ASP OD2 1 18 ASN QD 4.300 . 4.800 8.208 7.512 8.881 4.081 9 20 [********+*********-*] 1
650 1 18 ASN H 1 18 ASN HA 2.910 . 3.410 2.275 2.206 2.367 . 0 0 "[ . 1 . 2]" 1
651 1 18 ASN H 1 18 ASN HB2 3.780 . 4.280 2.941 2.723 3.205 . 0 0 "[ . 1 . 2]" 1
652 1 18 ASN H 1 18 ASN HB3 3.910 . 4.410 3.686 3.551 3.845 . 0 0 "[ . 1 . 2]" 1
653 1 18 ASN H 1 19 LYS H 3.280 . 3.780 2.835 2.635 3.173 . 0 0 "[ . 1 . 2]" 1
654 1 18 ASN H 1 21 TYR QE 5.350 . 5.850 4.748 4.400 4.934 . 0 0 "[ . 1 . 2]" 1
655 1 18 ASN HA 1 19 LYS H 3.460 . 3.960 2.755 2.363 2.987 . 0 0 "[ . 1 . 2]" 1
656 1 18 ASN HA 1 19 LYS HA 4.690 . 5.190 4.485 4.381 4.606 . 0 0 "[ . 1 . 2]" 1
657 1 18 ASN HB3 1 19 LYS H 4.780 . 5.280 4.325 4.205 4.435 . 0 0 "[ . 1 . 2]" 1
658 1 18 ASN HB3 1 19 LYS QG 6.170 . 6.670 5.162 4.695 5.511 . 0 0 "[ . 1 . 2]" 1
659 1 18 ASN QD 1 19 LYS CE 6.170 . 6.670 7.204 5.688 8.372 1.702 15 12 "[***-.* * * *+ ***]" 1
660 1 18 ASN QD 1 19 LYS QG 4.780 . 5.280 6.263 5.210 7.031 1.751 15 15 "[****.* *-** *+ ****]" 1
661 1 18 ASN ND2 1 19 LYS CD 4.690 . 5.190 8.473 7.363 9.354 4.164 6 20 [*****+-*************] 1
662 1 18 ASN ND2 1 19 LYS QG 3.460 . 3.960 6.861 6.104 7.517 3.557 6 20 [****-+**************] 1
663 1 18 ASN OD1 1 19 LYS QG 3.280 . 3.780 6.751 6.002 7.579 3.799 9 20 [********+********-**] 1
664 1 18 ASN OD1 1 21 TYR C 5.350 . 5.850 8.644 7.818 9.302 3.452 18 20 [**********-******+**] 1
665 1 19 LYS CD 1 20 PHE C 5.600 . 6.100 4.702 3.816 5.559 . 0 0 "[ . 1 . 2]" 1
666 1 19 LYS CD 1 20 PHE CD2 4.890 . 5.390 5.366 4.503 5.980 0.590 6 2 "[ .+ 1 - . 2]" 1
667 1 19 LYS CD 1 20 PHE QE 2.930 . 3.430 5.954 5.393 6.773 3.343 2 20 [*+*-****************] 1
668 1 19 LYS CD 1 20 PHE HZ 4.960 . 5.460 8.140 7.390 9.090 3.630 2 20 [*+*-****************] 1
669 1 19 LYS CD 1 21 TYR C 5.350 . 5.850 6.000 5.119 6.331 0.481 3 0 "[ . 1 . 2]" 1
670 1 19 LYS CD 1 21 TYR CD2 6.170 . 6.670 5.212 4.539 5.571 . 0 0 "[ . 1 . 2]" 1
671 1 19 LYS H 1 19 LYS HB2 4.040 . 4.540 2.361 2.040 2.634 . 0 0 "[ . 1 . 2]" 1
672 1 19 LYS H 1 21 TYR QD 5.050 . 5.550 4.487 4.285 4.635 . 0 0 "[ . 1 . 2]" 1
673 1 19 LYS H 1 21 TYR QE 4.150 . 4.650 2.982 2.689 3.168 . 0 0 "[ . 1 . 2]" 1
674 1 19 LYS HA 1 20 PHE H 2.930 . 3.430 2.298 2.129 2.527 . 0 0 "[ . 1 . 2]" 1
675 1 19 LYS HA 1 20 PHE HB2 4.960 . 5.460 4.784 4.507 5.005 . 0 0 "[ . 1 . 2]" 1
676 1 19 LYS HA 1 20 PHE QD 4.890 . 5.390 3.680 3.326 3.993 . 0 0 "[ . 1 . 2]" 1
677 1 19 LYS HA 1 20 PHE QE 5.600 . 6.100 4.780 4.434 5.077 . 0 0 "[ . 1 . 2]" 1
678 1 19 LYS HA 1 21 TYR QD 6.170 . 6.670 5.400 5.195 5.531 . 0 0 "[ . 1 . 2]" 1
679 1 19 LYS HA 1 21 TYR QE 5.350 . 5.850 4.741 4.469 4.870 . 0 0 "[ . 1 . 2]" 1
680 1 19 LYS HB2 1 20 PHE H 4.520 . 5.020 4.226 3.851 4.492 . 0 0 "[ . 1 . 2]" 1
681 1 19 LYS HB2 1 21 TYR QD 5.340 . 5.840 4.625 4.245 4.863 . 0 0 "[ . 1 . 2]" 1
682 1 19 LYS HB2 1 21 TYR QE 3.650 . 4.150 2.898 2.406 3.224 . 0 0 "[ . 1 . 2]" 1
683 1 19 LYS HB3 1 20 PHE H 3.500 . 4.000 3.047 2.452 3.475 . 0 0 "[ . 1 . 2]" 1
684 1 19 LYS HB3 1 20 PHE QD 6.030 . 6.530 5.122 4.784 5.450 . 0 0 "[ . 1 . 2]" 1
685 1 19 LYS HB3 1 21 TYR QD 4.730 . 5.230 3.997 3.646 4.266 . 0 0 "[ . 1 . 2]" 1
686 1 19 LYS HB3 1 21 TYR QE 3.930 . 4.430 3.103 2.612 3.446 . 0 0 "[ . 1 . 2]" 1
687 1 19 LYS QD 1 20 PHE CD2 6.030 . 6.530 4.294 3.498 4.854 . 0 0 "[ . 1 . 2]" 1
688 1 19 LYS QD 1 20 PHE H 4.780 . 5.280 2.287 1.949 2.651 . 0 0 "[ . 1 . 2]" 1
689 1 19 LYS QD 1 20 PHE HA 5.340 . 5.840 4.743 4.293 5.032 . 0 0 "[ . 1 . 2]" 1
690 1 19 LYS QD 1 20 PHE QE . . 4.000 4.784 4.246 5.513 1.513 2 14 "[ +* ***-*1 ***** * *]" 1
691 1 19 LYS QD 1 21 TYR C 3.650 . 4.150 5.098 4.120 5.551 1.401 18 18 "[********-*****. *+**]" 1
692 1 19 LYS QD 1 21 TYR CD2 . . 5.230 4.556 3.756 5.062 . 0 0 "[ . 1 . 2]" 1
693 1 19 LYS QE 1 20 PHE CZ 5.340 . 5.840 6.988 6.304 8.178 2.338 2 19 "[ +*-****************]" 1
694 1 19 LYS QE 1 20 PHE QE 4.780 . 5.280 5.514 4.853 6.725 1.445 2 6 "[ + ** 1 -* . * 2]" 1
695 1 19 LYS QG 1 21 TYR C 4.150 . 4.650 5.486 5.041 5.701 1.051 4 19 "[***+*********** ***-]" 1
696 1 19 LYS QG 1 21 TYR CD2 5.050 . 5.550 4.268 3.926 4.532 . 0 0 "[ . 1 . 2]" 1
697 1 20 PHE CD2 1 21 TYR CZ 5.340 . 5.840 8.190 7.973 8.449 2.609 9 20 [********+*********-*] 1
698 1 20 PHE CD2 1 53 ILE MG 4.680 . 5.180 4.999 4.429 5.842 0.662 20 2 "[ . 1 . -+]" 1
699 1 20 PHE CD2 1 54 LYS QG 4.570 . 5.070 3.028 2.178 4.383 . 0 0 "[ . 1 . 2]" 1
700 1 20 PHE CE2 1 21 TYR CZ 4.190 . 4.690 10.112 9.727 10.499 5.809 9 20 [********+*********-*] 1
701 1 20 PHE CZ 1 21 TYR CZ 3.040 . 3.540 10.536 10.359 10.687 7.147 14 20 [******-******+******] 1
702 1 20 PHE H 1 20 PHE HB2 3.290 . 3.790 2.538 2.306 2.749 . 0 0 "[ . 1 . 2]" 1
703 1 20 PHE H 1 20 PHE HB3 3.690 . 4.190 3.622 3.516 3.719 . 0 0 "[ . 1 . 2]" 1
704 1 20 PHE H 1 20 PHE QD 4.020 . 4.520 2.327 1.955 2.799 . 0 0 "[ . 1 . 2]" 1
705 1 20 PHE H 1 21 TYR QD 5.570 . 6.070 4.844 4.344 5.062 . 0 0 "[ . 1 . 2]" 1
706 1 20 PHE H 1 21 TYR QE 5.780 . 6.280 5.098 4.694 5.394 . 0 0 "[ . 1 . 2]" 1
707 1 20 PHE HA 1 20 PHE QD 3.950 . 4.450 2.975 2.756 3.188 . 0 0 "[ . 1 . 2]" 1
708 1 20 PHE HA 1 21 TYR H 3.040 . 3.540 2.170 2.006 2.331 . 0 0 "[ . 1 . 2]" 1
709 1 20 PHE HB2 1 21 TYR H 4.340 . 4.840 4.031 3.836 4.217 . 0 0 "[ . 1 . 2]" 1
710 1 20 PHE HB3 1 21 TYR H 4.190 . 4.690 3.068 2.820 3.393 . 0 0 "[ . 1 . 2]" 1
711 1 20 PHE QD 1 21 TYR H 5.340 . 5.840 4.174 3.768 4.590 . 0 0 "[ . 1 . 2]" 1
712 1 20 PHE QD 1 53 ILE HA 4.680 . 5.180 3.574 3.220 4.201 . 0 0 "[ . 1 . 2]" 1
713 1 20 PHE QD 1 54 LYS H 4.570 . 5.070 3.203 2.653 3.778 . 0 0 "[ . 1 . 2]" 1
714 1 20 PHE QE 1 21 TYR C 5.780 . 6.280 6.831 6.678 7.071 0.791 9 12 "[* * * +* * *.**-**]" 1
715 1 20 PHE QE 1 21 TYR CD2 5.570 . 6.070 7.518 7.141 7.740 1.670 12 20 [*********-*+********] 1
716 1 20 PHE HZ 1 21 TYR CZ 4.340 . 4.840 11.460 11.287 11.619 6.779 2 20 [*+****-*************] 1
717 1 21 TYR CD2 1 22 ARG QD 4.760 . 5.260 7.063 5.386 8.240 2.980 2 19 "[*+* ****-***********]" 1
718 1 21 TYR CD2 1 42 TYR C 4.650 . 5.150 5.428 4.701 6.020 0.870 2 5 "[ +* . * .- *]" 1
719 1 21 TYR CE2 1 22 ARG QD 3.320 . 3.820 8.792 6.672 10.374 6.554 2 20 [*+*-****************] 1
720 1 21 TYR CE2 1 22 ARG HE 5.560 . 6.060 8.769 6.988 11.021 4.961 20 20 [***-***************+] 1
721 1 21 TYR CE2 1 39 PHE CD2 4.670 . 5.170 5.897 4.194 6.472 1.302 17 13 "[* ** **1****- +**2]" 1
722 1 21 TYR CE2 1 39 PHE CE2 5.520 . 6.020 6.998 4.939 7.830 1.810 5 15 "[* *+* **-***** ***2]" 1
723 1 21 TYR CE2 1 42 TYR C 5.610 . 6.110 6.637 5.759 7.516 1.406 2 9 "[ +* * * * *-* *]" 1
724 1 21 TYR H 1 21 TYR HB2 4.080 . 4.580 2.641 2.463 2.842 . 0 0 "[ . 1 . 2]" 1
725 1 21 TYR H 1 21 TYR QD 4.670 . 5.170 2.863 2.507 3.225 . 0 0 "[ . 1 . 2]" 1
726 1 21 TYR HA 1 21 TYR QD 3.690 . 4.190 3.006 2.812 3.169 . 0 0 "[ . 1 . 2]" 1
727 1 21 TYR HA 1 22 ARG H 3.120 . 3.620 2.286 2.187 2.392 . 0 0 "[ . 1 . 2]" 1
728 1 21 TYR HA 1 22 ARG HA 4.540 . 5.040 4.408 4.241 4.498 . 0 0 "[ . 1 . 2]" 1
729 1 21 TYR HA 1 22 ARG QB 5.210 . 5.710 4.515 4.337 4.704 . 0 0 "[ . 1 . 2]" 1
730 1 21 TYR HA 1 42 TYR QE 6.170 . 6.670 5.246 4.801 5.528 . 0 0 "[ . 1 . 2]" 1
731 1 21 TYR HB2 1 22 ARG H 4.090 . 4.590 3.960 3.706 4.101 . 0 0 "[ . 1 . 2]" 1
732 1 21 TYR HB2 1 39 PHE QD 4.610 . 5.110 2.648 2.156 2.943 . 0 0 "[ . 1 . 2]" 1
733 1 21 TYR HB2 1 39 PHE QE 5.010 . 5.510 2.353 1.984 2.717 . 0 0 "[ . 1 . 2]" 1
734 1 21 TYR HB3 1 22 ARG H 3.320 . 3.820 2.905 2.577 3.179 . 0 0 "[ . 1 . 2]" 1
735 1 21 TYR HB3 1 22 ARG QB 5.560 . 6.060 4.688 4.351 5.109 . 0 0 "[ . 1 . 2]" 1
736 1 21 TYR HB3 1 39 PHE QB 5.520 . 6.020 4.367 3.672 4.746 . 0 0 "[ . 1 . 2]" 1
737 1 21 TYR HB3 1 39 PHE QD 4.670 . 5.170 2.988 2.344 3.376 . 0 0 "[ . 1 . 2]" 1
738 1 21 TYR HB3 1 42 TYR QE 5.610 . 6.110 3.209 2.756 3.723 . 0 0 "[ . 1 . 2]" 1
739 1 21 TYR QD 1 22 ARG H 4.760 . 5.260 4.065 3.851 4.356 . 0 0 "[ . 1 . 2]" 1
740 1 21 TYR QD 1 42 TYR QE 4.650 . 5.150 3.164 2.367 3.743 . 0 0 "[ . 1 . 2]" 1
741 1 21 TYR HH 1 22 ARG QD 4.090 . 4.590 11.094 8.987 12.088 7.498 15 20 [***-**********+*****] 1
742 1 21 TYR HH 1 39 PHE C 5.010 . 5.510 8.128 7.406 8.596 3.086 13 20 [************+**-****] 1
743 1 21 TYR HH 1 39 PHE CD2 4.610 . 5.110 7.368 6.179 7.848 2.738 10 20 [*********+*****-****] 1
744 1 21 TYR OH 1 22 ARG QD 3.120 . 3.620 10.440 8.485 11.581 7.961 15 20 [***-**********+*****] 1
745 1 21 TYR OH 1 22 ARG HE 5.210 . 5.710 10.391 8.863 11.956 6.246 20 20 [**-****************+] 1
746 1 21 TYR OH 1 42 TYR C 6.170 . 6.670 7.817 7.170 8.301 1.631 5 20 [****+***-***********] 1
747 1 22 ARG H 1 40 ILE QG 5.260 . 5.760 4.844 4.564 5.047 . 0 0 "[ . 1 . 2]" 1
748 1 22 ARG HA 1 23 ALA H 2.920 . 3.420 2.200 2.077 2.311 . 0 0 "[ . 1 . 2]" 1
749 1 22 ARG HA 1 23 ALA MB 5.340 . 5.840 3.968 3.801 4.114 . 0 0 "[ . 1 . 2]" 1
750 1 22 ARG HA 1 40 ILE MD 5.760 . 6.260 4.026 3.525 4.186 . 0 0 "[ . 1 . 2]" 1
751 1 22 ARG HA 1 56 ILE MD 5.380 . 5.880 3.108 2.585 3.732 . 0 0 "[ . 1 . 2]" 1
752 1 22 ARG QB 1 23 ALA H 4.200 . 4.700 3.102 2.838 3.405 . 0 0 "[ . 1 . 2]" 1
753 1 22 ARG QB 1 40 ILE H 4.980 . 5.480 3.738 3.177 4.334 . 0 0 "[ . 1 . 2]" 1
754 1 22 ARG QB 1 40 ILE MD 4.920 . 5.420 2.431 2.081 2.687 . 0 0 "[ . 1 . 2]" 1
755 1 22 ARG QB 1 40 ILE QG 4.560 . 5.060 2.518 2.065 2.749 . 0 0 "[ . 1 . 2]" 1
756 1 22 ARG QB 1 56 ILE MD 5.700 . 6.200 2.791 2.331 3.242 . 0 0 "[ . 1 . 2]" 1
757 1 22 ARG QD 1 23 ALA C 5.340 . 5.840 5.528 5.154 5.943 0.103 13 0 "[ . 1 . 2]" 1
758 1 22 ARG QD 1 23 ALA MB 2.920 . 3.420 6.320 5.854 6.654 3.234 17 20 [**********-*****+***] 1
759 1 22 ARG QD 1 40 ILE C 5.760 . 6.260 3.317 2.237 4.845 . 0 0 "[ . 1 . 2]" 1
760 1 22 ARG QD 1 40 ILE QG 5.260 . 5.760 4.147 3.017 4.920 . 0 0 "[ . 1 . 2]" 1
761 1 22 ARG QD 1 56 ILE C 5.380 . 5.880 3.508 2.405 4.683 . 0 0 "[ . 1 . 2]" 1
762 1 22 ARG HE 1 23 ALA MB 4.200 . 4.700 6.726 6.146 7.448 2.748 6 20 [***-*+**************] 1
763 1 22 ARG HE 1 40 ILE C 4.920 . 5.420 3.831 2.455 5.077 . 0 0 "[ . 1 . 2]" 1
764 1 22 ARG HE 1 40 ILE QG 4.560 . 5.060 4.678 3.670 5.777 0.717 6 4 "[ .+ * * . -2]" 1
765 1 22 ARG HE 1 40 ILE MG 4.980 . 5.480 4.980 3.506 6.753 1.273 6 3 "[ .+ * . -2]" 1
766 1 22 ARG HE 1 56 ILE C 5.700 . 6.200 3.991 2.547 5.681 . 0 0 "[ . 1 . 2]" 1
767 1 23 ALA C 1 24 GLU QG 4.190 . 4.690 3.314 3.059 3.537 . 0 0 "[ . 1 . 2]" 1
768 1 23 ALA C 1 37 VAL C 4.110 . 4.610 2.329 2.146 2.522 . 0 0 "[ . 1 . 2]" 1
769 1 23 ALA C 1 37 VAL QG 3.880 . 4.380 2.453 2.213 2.655 . 0 0 "[ . 1 . 2]" 1
770 1 23 ALA C 1 38 LYS QD 5.750 . 6.250 5.594 5.306 5.857 . 0 0 "[ . 1 . 2]" 1
771 1 23 ALA C 1 38 LYS QG 4.410 . 4.910 4.463 4.237 4.666 . 0 0 "[ . 1 . 2]" 1
772 1 23 ALA C 1 39 PHE CD2 5.740 . 6.240 3.084 2.759 3.446 . 0 0 "[ . 1 . 2]" 1
773 1 23 ALA C 1 39 PHE CZ 4.040 . 4.540 3.799 3.471 4.285 . 0 0 "[ . 1 . 2]" 1
774 1 23 ALA H 1 40 ILE MD 5.070 . 5.570 3.210 2.777 3.779 . 0 0 "[ . 1 . 2]" 1
775 1 23 ALA H 1 40 ILE QG 5.500 . 6.000 3.273 3.021 3.554 . 0 0 "[ . 1 . 2]" 1
776 1 23 ALA H 1 56 ILE MD 5.800 . 6.300 3.497 3.015 3.887 . 0 0 "[ . 1 . 2]" 1
777 1 23 ALA HA 1 24 GLU H 3.080 . 3.580 2.169 2.074 2.300 . 0 0 "[ . 1 . 2]" 1
778 1 23 ALA HA 1 24 GLU QB 5.100 . 5.600 4.335 4.078 4.612 . 0 0 "[ . 1 . 2]" 1
779 1 23 ALA HA 1 39 PHE H 4.410 . 4.910 4.306 4.091 4.510 . 0 0 "[ . 1 . 2]" 1
780 1 23 ALA HA 1 39 PHE HA 3.280 . 3.780 2.300 2.014 2.553 . 0 0 "[ . 1 . 2]" 1
781 1 23 ALA HA 1 39 PHE QB 5.520 . 6.020 4.402 4.132 4.634 . 0 0 "[ . 1 . 2]" 1
782 1 23 ALA HA 1 40 ILE H 3.410 . 3.910 2.330 1.953 2.748 . 0 0 "[ . 1 . 2]" 1
783 1 23 ALA HA 1 40 ILE HB 4.530 . 5.030 4.572 4.405 4.716 . 0 0 "[ . 1 . 2]" 1
784 1 23 ALA HA 1 40 ILE MD 4.410 . 4.910 3.332 3.028 3.577 . 0 0 "[ . 1 . 2]" 1
785 1 23 ALA HA 1 40 ILE QG 3.820 . 4.160 2.176 2.062 2.278 . 0 0 "[ . 1 . 2]" 1
786 1 23 ALA HA 1 40 ILE MG 5.520 . 6.020 4.552 4.365 4.669 . 0 0 "[ . 1 . 2]" 1
787 1 23 ALA MB 1 24 GLU H 4.190 . 4.690 3.047 2.859 3.225 . 0 0 "[ . 1 . 2]" 1
788 1 23 ALA MB 1 24 GLU QG 3.080 . 3.580 4.963 4.686 5.238 1.658 13 20 [************+-******] 1
789 1 23 ALA MB 1 24 GLU OE1 5.100 . 5.600 6.521 6.280 6.744 1.144 13 20 [**-*********+*******] 1
790 1 23 ALA MB 1 37 VAL HB 3.880 . 4.380 2.130 1.978 2.348 . 0 0 "[ . 1 . 2]" 1
791 1 23 ALA MB 1 37 VAL QG 4.110 . 4.610 2.485 2.228 2.706 . 0 0 "[ . 1 . 2]" 1
792 1 23 ALA MB 1 38 LYS H 4.410 . 4.910 3.263 2.985 3.546 . 0 0 "[ . 1 . 2]" 1
793 1 23 ALA MB 1 38 LYS HB3 5.750 . 6.250 4.641 4.325 4.883 . 0 0 "[ . 1 . 2]" 1
794 1 23 ALA MB 1 39 PHE CE2 5.520 . 6.020 3.727 3.286 4.273 . 0 0 "[ . 1 . 2]" 1
795 1 23 ALA MB 1 39 PHE CZ 3.280 . 3.780 3.818 3.484 4.314 0.534 17 1 "[ . 1 . + 2]" 1
796 1 23 ALA MB 1 39 PHE HA 4.040 . 4.540 2.470 2.158 2.747 . 0 0 "[ . 1 . 2]" 1
797 1 23 ALA MB 1 39 PHE QD 5.740 . 6.240 2.868 2.339 3.397 . 0 0 "[ . 1 . 2]" 1
798 1 23 ALA MB 1 39 PHE QE 4.410 . 4.910 3.290 2.825 3.802 . 0 0 "[ . 1 . 2]" 1
799 1 23 ALA MB 1 40 ILE C 4.410 . 4.910 4.164 3.942 4.380 . 0 0 "[ . 1 . 2]" 1
800 1 23 ALA MB 1 40 ILE CD1 5.520 . 6.020 4.056 3.823 4.305 . 0 0 "[ . 1 . 2]" 1
801 1 23 ALA MB 1 40 ILE CG1 4.530 . 5.030 4.527 4.388 4.677 . 0 0 "[ . 1 . 2]" 1
802 1 23 ALA MB 1 40 ILE QG 3.820 . 4.160 3.621 3.503 3.755 . 0 0 "[ . 1 . 2]" 1
803 1 23 ALA MB 1 40 ILE MG 3.410 . 3.910 5.529 5.342 5.614 1.704 11 20 [*-********+*********] 1
804 1 23 ALA MB 1 56 ILE C 5.800 . 6.300 5.111 4.639 5.418 . 0 0 "[ . 1 . 2]" 1
805 1 24 GLU C 1 24 GLU CD 3.640 . 4.140 4.583 4.440 4.708 0.568 14 7 "[ -* 1 **+* *2]" 1
806 1 24 GLU C 1 24 GLU OE1 3.110 . 3.610 4.491 4.368 4.625 1.015 5 20 [****+*****-*********] 1
807 1 24 GLU C 1 25 VAL QG 5.010 . 5.510 3.303 3.167 3.376 . 0 0 "[ . 1 . 2]" 1
808 1 24 GLU C 1 40 ILE C 4.690 . 5.190 4.483 4.326 4.659 . 0 0 "[ . 1 . 2]" 1
809 1 24 GLU C 1 40 ILE CD1 4.140 . 4.640 4.336 4.191 4.521 . 0 0 "[ . 1 . 2]" 1
810 1 24 GLU C 1 40 ILE QG 5.140 . 5.640 4.397 4.294 4.577 . 0 0 "[ . 1 . 2]" 1
811 1 24 GLU CD 1 25 VAL C 5.000 . 5.500 5.542 5.156 5.789 0.289 14 0 "[ . 1 . 2]" 1
812 1 24 GLU CD 1 25 VAL QG . . 3.390 6.675 6.406 6.900 3.510 4 20 [*-*+****************] 1
813 1 24 GLU H 1 24 GLU QB 3.630 . 4.130 2.348 2.163 2.603 . 0 0 "[ . 1 . 2]" 1
814 1 24 GLU H 1 24 GLU QG 4.420 . 4.920 2.830 2.225 3.353 . 0 0 "[ . 1 . 2]" 1
815 1 24 GLU H 1 25 VAL H 4.450 . 4.950 4.285 4.083 4.495 . 0 0 "[ . 1 . 2]" 1
816 1 24 GLU H 1 37 VAL QG 6.610 . 7.110 4.922 4.670 5.097 . 0 0 "[ . 1 . 2]" 1
817 1 24 GLU H 1 38 LYS H 3.830 . 4.330 3.487 3.175 3.760 . 0 0 "[ . 1 . 2]" 1
818 1 24 GLU H 1 38 LYS HB2 5.310 . 5.810 5.014 4.597 5.367 . 0 0 "[ . 1 . 2]" 1
819 1 24 GLU H 1 38 LYS HB3 4.620 . 5.120 3.472 2.989 3.860 . 0 0 "[ . 1 . 2]" 1
820 1 24 GLU H 1 39 PHE HA 4.320 . 4.820 3.907 3.626 4.214 . 0 0 "[ . 1 . 2]" 1
821 1 24 GLU H 1 40 ILE H 4.340 . 4.840 3.666 3.070 4.328 . 0 0 "[ . 1 . 2]" 1
822 1 24 GLU H 1 40 ILE MD 4.440 . 4.940 3.214 2.974 3.527 . 0 0 "[ . 1 . 2]" 1
823 1 24 GLU H 1 40 ILE QG 3.940 . 4.330 2.184 2.018 2.393 . 0 0 "[ . 1 . 2]" 1
824 1 24 GLU H 1 40 ILE MG 4.820 . 5.320 4.026 3.818 4.148 . 0 0 "[ . 1 . 2]" 1
825 1 24 GLU HA 1 24 GLU QG 3.640 . 4.140 2.311 2.025 2.621 . 0 0 "[ . 1 . 2]" 1
826 1 24 GLU HA 1 25 VAL H 2.890 . 3.390 2.115 1.959 2.223 . 0 0 "[ . 1 . 2]" 1
827 1 24 GLU HA 1 25 VAL HB 4.540 . 5.040 4.126 4.011 4.357 . 0 0 "[ . 1 . 2]" 1
828 1 24 GLU HA 1 25 VAL QG 5.000 . 5.500 3.933 3.734 4.055 . 0 0 "[ . 1 . 2]" 1
829 1 24 GLU QB 1 25 VAL H 4.190 . 4.690 3.523 2.991 3.734 . 0 0 "[ . 1 . 2]" 1
830 1 24 GLU QB 1 25 VAL HB 5.880 . 6.380 4.925 4.458 5.184 . 0 0 "[ . 1 . 2]" 1
831 1 24 GLU QB 1 26 GLU H 6.170 . 6.670 5.314 4.968 5.576 . 0 0 "[ . 1 . 2]" 1
832 1 24 GLU QB 1 38 LYS H 4.510 . 5.010 3.678 3.234 3.917 . 0 0 "[ . 1 . 2]" 1
833 1 24 GLU QB 1 38 LYS HB2 5.380 . 5.880 4.314 3.823 4.755 . 0 0 "[ . 1 . 2]" 1
834 1 24 GLU QB 1 38 LYS QG 5.120 . 5.620 3.630 3.087 4.225 . 0 0 "[ . 1 . 2]" 1
835 1 24 GLU QB 1 40 ILE MD 4.760 . 5.260 3.629 3.486 3.727 . 0 0 "[ . 1 . 2]" 1
836 1 24 GLU QB 1 40 ILE QG 4.220 . 4.720 3.339 2.867 3.817 . 0 0 "[ . 1 . 2]" 1
837 1 24 GLU QG 1 25 VAL H 5.010 . 5.510 4.094 3.709 4.463 . 0 0 "[ . 1 . 2]" 1
838 1 24 GLU QG 1 25 VAL QG 4.450 . 4.950 5.216 4.816 5.539 0.589 4 4 "[ +. 1 *. * -]" 1
839 1 24 GLU QG 1 37 VAL CG2 6.610 . 7.110 5.931 5.731 6.099 . 0 0 "[ . 1 . 2]" 1
840 1 24 GLU QG 1 38 LYS QD 4.620 . 5.120 5.328 4.265 6.409 1.289 19 6 "[* - * 1* * . +2]" 1
841 1 24 GLU QG 1 38 LYS QG 3.830 . 4.330 4.768 3.500 5.543 1.213 15 10 "[ ** ** *-1* * + *2]" 1
842 1 24 GLU QG 1 39 PHE CZ 4.320 . 4.820 9.738 9.143 10.277 5.457 5 20 [****+********-******] 1
843 1 24 GLU QG 1 40 ILE C 4.440 . 4.940 2.003 1.906 2.178 . 0 0 "[ . 1 . 2]" 1
844 1 24 GLU QG 1 40 ILE CD1 4.820 . 5.320 1.956 1.860 2.120 . 0 0 "[ . 1 . 2]" 1
845 1 24 GLU QG 1 40 ILE MD 4.690 . 5.190 2.004 1.908 2.179 . 0 0 "[ . 1 . 2]" 1
846 1 24 GLU QG 1 40 ILE QG . . 4.330 2.491 2.148 3.029 . 0 0 "[ . 1 . 2]" 1
847 1 24 GLU QG 1 40 ILE MG 4.140 . 4.640 2.619 2.085 3.074 . 0 0 "[ . 1 . 2]" 1
848 1 24 GLU OE1 1 25 VAL QG 4.190 . 4.690 6.245 5.875 6.448 1.758 19 20 [****************-*+*] 1
849 1 24 GLU OE1 1 26 GLU QG 6.170 . 6.670 7.902 7.466 8.673 2.003 1 20 [+**-****************] 1
850 1 24 GLU OE1 1 38 LYS CE 5.120 . 5.620 5.464 4.404 5.956 0.336 1 0 "[ . 1 . 2]" 1
851 1 24 GLU OE1 1 38 LYS QD 5.380 . 5.880 4.613 3.794 5.308 . 0 0 "[ . 1 . 2]" 1
852 1 24 GLU OE1 1 38 LYS QG 4.510 . 5.010 4.860 3.780 5.391 0.381 6 0 "[ . 1 . 2]" 1
853 1 24 GLU OE1 1 40 ILE C 4.760 . 5.260 3.535 2.914 3.956 . 0 0 "[ . 1 . 2]" 1
854 1 24 GLU OE1 1 40 ILE QG 4.220 . 4.720 4.291 3.746 4.906 0.186 2 0 "[ . 1 . 2]" 1
855 1 25 VAL C 1 26 GLU QG 4.640 . 5.140 4.170 4.079 4.264 . 0 0 "[ . 1 . 2]" 1
856 1 25 VAL C 1 35 ALA C 5.810 . 6.310 3.493 3.355 3.574 . 0 0 "[ . 1 . 2]" 1
857 1 25 VAL C 1 37 VAL QG 4.640 . 5.140 2.029 1.886 2.243 . 0 0 "[ . 1 . 2]" 1
858 1 25 VAL C 1 53 ILE C 4.860 . 5.360 3.005 2.555 3.263 . 0 0 "[ . 1 . 2]" 1
859 1 25 VAL C 1 53 ILE CD1 5.370 . 5.870 2.939 2.503 3.202 . 0 0 "[ . 1 . 2]" 1
860 1 25 VAL CG2 1 26 GLU CD 5.160 . 5.660 5.810 5.554 6.005 0.345 8 0 "[ . 1 . 2]" 1
861 1 25 VAL CG2 1 26 GLU QG 4.400 . 4.900 5.028 4.714 5.142 0.242 20 0 "[ . 1 . 2]" 1
862 1 25 VAL CG2 1 26 GLU OE1 6.480 . 6.980 5.341 5.051 5.673 . 0 0 "[ . 1 . 2]" 1
863 1 25 VAL CG2 1 27 ALA C 6.610 . 7.110 3.540 3.340 3.628 . 0 0 "[ . 1 . 2]" 1
864 1 25 VAL CG2 1 27 ALA MB . . 4.540 4.467 4.233 4.575 0.035 7 0 "[ . 1 . 2]" 1
865 1 25 VAL CG2 1 28 LEU CD1 6.520 . 7.020 2.428 2.292 2.619 . 0 0 "[ . 1 . 2]" 1
866 1 25 VAL CG2 1 28 LEU QB 5.630 . 6.130 3.307 3.196 3.472 . 0 0 "[ . 1 . 2]" 1
867 1 25 VAL CG2 1 28 LEU QD 5.560 . 6.060 1.663 1.587 1.784 0.213 11 0 "[ . 1 . 2]" 1
868 1 25 VAL CG2 1 28 LEU HG 4.360 . 4.860 1.931 1.840 2.040 . 0 0 "[ . 1 . 2]" 1
869 1 25 VAL CG2 1 36 VAL QG . . 6.350 4.684 4.587 4.784 . 0 0 "[ . 1 . 2]" 1
870 1 25 VAL CG2 1 37 VAL QG 5.040 . 5.540 1.998 1.855 2.207 . 0 0 "[ . 1 . 2]" 1
871 1 25 VAL CG2 1 53 ILE C 6.620 . 7.120 2.937 2.500 3.191 . 0 0 "[ . 1 . 2]" 1
872 1 25 VAL H 1 25 VAL HB 3.220 . 3.720 2.220 2.054 2.478 . 0 0 "[ . 1 . 2]" 1
873 1 25 VAL H 1 25 VAL QG 3.540 . 4.040 2.351 2.180 2.579 . 0 0 "[ . 1 . 2]" 1
874 1 25 VAL H 1 26 GLU H 4.780 . 5.280 4.553 4.483 4.643 . 0 0 "[ . 1 . 2]" 1
875 1 25 VAL H 1 37 VAL QG 4.900 . 5.400 3.935 3.713 4.094 . 0 0 "[ . 1 . 2]" 1
876 1 25 VAL HA 1 26 GLU H 3.070 . 3.570 2.151 2.052 2.244 . 0 0 "[ . 1 . 2]" 1
877 1 25 VAL HA 1 26 GLU HA 4.470 . 4.970 4.434 4.367 4.523 . 0 0 "[ . 1 . 2]" 1
878 1 25 VAL HA 1 27 ALA H 4.260 . 4.760 4.008 3.825 4.189 . 0 0 "[ . 1 . 2]" 1
879 1 25 VAL HA 1 35 ALA MB 6.220 . 6.720 5.187 5.014 5.353 . 0 0 "[ . 1 . 2]" 1
880 1 25 VAL HA 1 37 VAL HA 3.360 . 3.860 2.364 2.198 2.593 . 0 0 "[ . 1 . 2]" 1
881 1 25 VAL HA 1 37 VAL HB 4.310 . 4.810 3.313 2.840 3.859 . 0 0 "[ . 1 . 2]" 1
882 1 25 VAL HA 1 37 VAL QG 3.640 . 4.140 2.003 1.843 2.148 . 0 0 "[ . 1 . 2]" 1
883 1 25 VAL HA 1 38 LYS H 3.960 . 4.460 3.612 3.299 3.882 . 0 0 "[ . 1 . 2]" 1
884 1 25 VAL HB 1 28 LEU CG 7.210 . 7.710 5.247 5.090 5.430 . 0 0 "[ . 1 . 2]" 1
885 1 25 VAL HB 1 37 VAL QG 5.180 . 5.680 4.177 3.951 4.303 . 0 0 "[ . 1 . 2]" 1
886 1 25 VAL QG 1 26 GLU CD 4.470 . 4.970 5.882 5.616 6.081 1.111 8 20 [*******+******-*****] 1
887 1 25 VAL QG 1 26 GLU H 4.640 . 4.900 2.708 2.533 2.924 . 0 0 "[ . 1 . 2]" 1
888 1 25 VAL QG 1 26 GLU HA 5.160 . 5.660 3.705 3.357 3.899 . 0 0 "[ . 1 . 2]" 1
889 1 25 VAL QG 1 26 GLU QB 6.480 . 6.980 4.098 3.909 4.247 . 0 0 "[ . 1 . 2]" 1
890 1 25 VAL QG 1 26 GLU QG 3.070 . 3.570 5.088 4.767 5.213 1.643 20 20 [-******************+] 1
891 1 25 VAL QG 1 27 ALA H 4.040 . 4.540 3.016 2.748 3.220 . 0 0 "[ . 1 . 2]" 1
892 1 25 VAL QG 1 27 ALA HA 5.130 . 5.630 3.875 3.628 4.039 . 0 0 "[ . 1 . 2]" 1
893 1 25 VAL QG 1 27 ALA MB . . 4.760 4.505 4.266 4.616 . 0 0 "[ . 1 . 2]" 1
894 1 25 VAL QG 1 28 LEU CG 5.630 . 6.130 2.492 2.409 2.587 . 0 0 "[ . 1 . 2]" 1
895 1 25 VAL QG 1 28 LEU H 4.360 . 4.860 3.668 3.544 3.803 . 0 0 "[ . 1 . 2]" 1
896 1 25 VAL QG 1 28 LEU HA 6.520 . 7.020 4.521 4.355 4.739 . 0 0 "[ . 1 . 2]" 1
897 1 25 VAL QG 1 28 LEU QB 7.210 . 7.710 3.339 3.228 3.509 . 0 0 "[ . 1 . 2]" 1
898 1 25 VAL QG 1 28 LEU HG 5.560 . 6.060 1.936 1.843 2.044 . 0 0 "[ . 1 . 2]" 1
899 1 25 VAL QG 1 35 ALA C 6.220 . 6.720 3.531 3.385 3.619 . 0 0 "[ . 1 . 2]" 1
900 1 25 VAL QG 1 35 ALA MB 5.810 . 6.310 3.645 3.494 3.733 . 0 0 "[ . 1 . 2]" 1
901 1 25 VAL QG 1 36 VAL H 5.850 . 6.350 4.544 4.372 4.679 . 0 0 "[ . 1 . 2]" 1
902 1 25 VAL QG 1 36 VAL HB 6.460 . 6.960 5.035 4.896 5.166 . 0 0 "[ . 1 . 2]" 1
903 1 25 VAL QG 1 37 VAL CG2 . . 4.140 2.037 1.891 2.259 . 0 0 "[ . 1 . 2]" 1
904 1 25 VAL QG 1 37 VAL HA 4.640 . 5.140 3.604 3.487 3.680 . 0 0 "[ . 1 . 2]" 1
905 1 25 VAL QG 1 37 VAL QG 3.360 . 3.860 2.039 1.893 2.262 . 0 0 "[ . 1 . 2]" 1
906 1 25 VAL QG 1 38 LYS QG 3.960 . 4.460 6.895 6.654 7.058 2.598 7 20 [*****-+*************] 1
907 1 25 VAL QG 1 53 ILE MD 4.860 . 5.360 3.031 2.565 3.314 . 0 0 "[ . 1 . 2]" 1
908 1 25 VAL QG 1 53 ILE MG 5.370 . 5.870 2.845 2.625 3.112 . 0 0 "[ . 1 . 2]" 1
909 1 26 GLU C 1 26 GLU OE1 3.310 . 3.810 3.200 2.881 3.601 . 0 0 "[ . 1 . 2]" 1
910 1 26 GLU C 1 27 ALA C 6.300 . 6.800 2.310 2.243 2.440 . 0 0 "[ . 1 . 2]" 1
911 1 26 GLU C 1 27 ALA MB 4.960 . 5.460 2.353 2.277 2.507 . 0 0 "[ . 1 . 2]" 1
912 1 26 GLU C 1 36 VAL QG 4.230 . 4.730 4.095 3.886 4.333 . 0 0 "[ . 1 . 2]" 1
913 1 26 GLU CD 1 27 ALA C 5.550 . 6.050 4.236 3.528 4.623 . 0 0 "[ . 1 . 2]" 1
914 1 26 GLU CD 1 37 VAL CG2 6.610 . 7.110 6.744 6.419 6.935 . 0 0 "[ . 1 . 2]" 1
915 1 26 GLU CD 1 37 VAL QG 5.100 . 5.600 6.875 6.547 7.072 1.472 17 20 [****-***********+***] 1
916 1 26 GLU H 1 27 ALA H 3.080 . 3.580 2.240 2.048 2.423 . 0 0 "[ . 1 . 2]" 1
917 1 26 GLU H 1 27 ALA MB 5.390 . 5.890 4.441 4.318 4.542 . 0 0 "[ . 1 . 2]" 1
918 1 26 GLU H 1 36 VAL H 4.780 . 5.280 4.678 4.451 4.889 . 0 0 "[ . 1 . 2]" 1
919 1 26 GLU H 1 36 VAL HB 3.890 . 4.390 3.914 3.734 4.092 . 0 0 "[ . 1 . 2]" 1
920 1 26 GLU H 1 36 VAL QG 5.760 . 6.260 3.975 3.713 4.220 . 0 0 "[ . 1 . 2]" 1
921 1 26 GLU H 1 37 VAL HA 3.320 . 3.820 2.330 2.011 2.536 . 0 0 "[ . 1 . 2]" 1
922 1 26 GLU H 1 37 VAL HB 4.960 . 5.460 4.505 4.070 4.888 . 0 0 "[ . 1 . 2]" 1
923 1 26 GLU H 1 37 VAL QG 4.160 . 4.660 2.986 2.767 3.137 . 0 0 "[ . 1 . 2]" 1
924 1 26 GLU H 1 38 LYS H 3.840 . 4.340 3.723 3.397 3.903 . 0 0 "[ . 1 . 2]" 1
925 1 26 GLU HA 1 27 ALA MB 5.550 . 6.050 4.294 4.149 4.441 . 0 0 "[ . 1 . 2]" 1
926 1 26 GLU HA 1 37 VAL HA 5.100 . 5.600 4.895 4.597 5.102 . 0 0 "[ . 1 . 2]" 1
927 1 26 GLU HA 1 37 VAL QG 6.610 . 7.110 5.402 5.238 5.505 . 0 0 "[ . 1 . 2]" 1
928 1 26 GLU QB 1 27 ALA H 4.240 . 4.740 2.633 2.329 2.880 . 0 0 "[ . 1 . 2]" 1
929 1 26 GLU QB 1 27 ALA MB 5.500 . 6.000 3.431 3.012 3.848 . 0 0 "[ . 1 . 2]" 1
930 1 26 GLU QB 1 36 VAL QG 4.540 . 5.040 2.569 2.237 2.991 . 0 0 "[ . 1 . 2]" 1
931 1 26 GLU QB 1 37 VAL H 5.530 . 6.030 4.229 3.889 4.520 . 0 0 "[ . 1 . 2]" 1
932 1 26 GLU QB 1 45 TYR QE 5.980 . 6.480 4.445 4.100 4.749 . 0 0 "[ . 1 . 2]" 1
933 1 26 GLU QG 1 27 ALA C 5.390 . 5.890 2.606 2.242 2.869 . 0 0 "[ . 1 . 2]" 1
934 1 26 GLU QG 1 27 ALA HA 4.960 . 5.460 4.385 4.054 4.547 . 0 0 "[ . 1 . 2]" 1
935 1 26 GLU QG 1 27 ALA MB . . 3.580 2.620 2.258 2.889 . 0 0 "[ . 1 . 2]" 1
936 1 26 GLU QG 1 36 VAL CG2 5.760 . 6.260 2.973 2.382 3.505 . 0 0 "[ . 1 . 2]" 1
937 1 26 GLU QG 1 36 VAL HB 4.230 . 4.730 3.476 2.579 3.855 . 0 0 "[ . 1 . 2]" 1
938 1 26 GLU QG 1 36 VAL QG 3.890 . 4.390 2.997 2.393 3.548 . 0 0 "[ . 1 . 2]" 1
939 1 26 GLU QG 1 37 VAL CG2 4.160 . 4.660 5.392 4.822 5.645 0.985 17 18 "[ ***.*-*********+***]" 1
940 1 26 GLU QG 1 37 VAL QG . . 3.820 5.500 4.916 5.761 1.941 17 20 [-***************+***] 1
941 1 26 GLU QG 1 38 LYS QG 3.840 . 4.340 6.162 5.694 6.597 2.257 1 20 [+*-*****************] 1
942 1 26 GLU OE1 1 27 ALA C 5.500 . 6.000 4.023 3.011 4.530 . 0 0 "[ . 1 . 2]" 1
943 1 26 GLU OE1 1 27 ALA MB 4.240 . 4.740 4.079 3.027 4.624 . 0 0 "[ . 1 . 2]" 1
944 1 26 GLU OE1 1 36 VAL CG2 4.540 . 5.040 4.686 4.084 5.166 0.126 10 0 "[ . 1 . 2]" 1
945 1 26 GLU OE1 1 37 VAL QG 5.530 . 6.030 6.412 6.099 6.633 0.603 17 4 "[ - .* 1 *. + 2]" 1
946 1 26 GLU OE1 1 45 TYR C 5.980 . 6.480 5.480 4.725 6.420 . 0 0 "[ . 1 . 2]" 1
947 1 27 ALA C 1 28 LEU HG 4.100 . 4.600 3.494 3.121 3.846 . 0 0 "[ . 1 . 2]" 1
948 1 27 ALA C 1 29 HIS HE1 6.140 . 6.640 6.058 2.168 9.122 2.482 3 11 "[ *+*.* **-* * * *]" 1
949 1 27 ALA C 1 35 ALA MB 6.280 . 6.780 3.524 3.344 3.709 . 0 0 "[ . 1 . 2]" 1
950 1 27 ALA C 1 36 VAL C 4.020 . 4.520 2.207 2.066 2.339 . 0 0 "[ . 1 . 2]" 1
951 1 27 ALA C 1 36 VAL QG . . 3.790 2.264 2.098 2.421 . 0 0 "[ . 1 . 2]" 1
952 1 27 ALA C 1 45 TYR C 7.410 . 7.910 6.570 6.310 6.890 . 0 0 "[ . 1 . 2]" 1
953 1 27 ALA C 1 45 TYR CD2 6.810 . 7.310 4.787 4.588 4.893 . 0 0 "[ . 1 . 2]" 1
954 1 27 ALA H 1 36 VAL H 3.530 . 4.030 3.291 3.029 3.503 . 0 0 "[ . 1 . 2]" 1
955 1 27 ALA H 1 36 VAL HB 2.920 . 3.420 2.644 2.311 2.871 . 0 0 "[ . 1 . 2]" 1
956 1 27 ALA H 1 36 VAL QG 5.190 . 5.690 3.514 3.246 3.685 . 0 0 "[ . 1 . 2]" 1
957 1 27 ALA H 1 37 VAL HA 4.180 . 4.680 4.095 3.894 4.312 . 0 0 "[ . 1 . 2]" 1
958 1 27 ALA H 1 37 VAL QG 5.510 . 6.010 3.944 3.687 4.094 . 0 0 "[ . 1 . 2]" 1
959 1 27 ALA HA 1 28 LEU CG 6.350 . 6.850 4.724 4.575 4.850 . 0 0 "[ . 1 . 2]" 1
960 1 27 ALA HA 1 28 LEU H 2.920 . 3.420 2.166 2.027 2.374 . 0 0 "[ . 1 . 2]" 1
961 1 27 ALA HA 1 28 LEU HG 4.240 . 4.740 4.263 3.868 4.493 . 0 0 "[ . 1 . 2]" 1
962 1 27 ALA MB 1 28 LEU H 4.100 . 4.600 3.446 3.368 3.513 . 0 0 "[ . 1 . 2]" 1
963 1 27 ALA MB 1 28 LEU QB 6.350 . 6.850 5.150 5.066 5.230 . 0 0 "[ . 1 . 2]" 1
964 1 27 ALA MB 1 28 LEU QD 4.240 . 4.740 3.600 3.472 3.700 . 0 0 "[ . 1 . 2]" 1
965 1 27 ALA MB 1 28 LEU HG 2.920 . 3.420 5.223 4.858 5.509 2.089 17 20 [********-*******+***] 1
966 1 27 ALA MB 1 29 HIS H 6.140 . 6.640 4.246 3.425 5.340 . 0 0 "[ . 1 . 2]" 1
967 1 27 ALA MB 1 35 ALA HA 6.280 . 6.780 4.884 4.617 5.072 . 0 0 "[ . 1 . 2]" 1
968 1 27 ALA MB 1 36 VAL C 5.420 . 5.920 2.498 2.257 2.767 . 0 0 "[ . 1 . 2]" 1
969 1 27 ALA MB 1 36 VAL CG2 5.190 . 5.690 2.449 2.199 2.734 . 0 0 "[ . 1 . 2]" 1
970 1 27 ALA MB 1 36 VAL H 4.490 . 4.990 3.581 3.354 3.727 . 0 0 "[ . 1 . 2]" 1
971 1 27 ALA MB 1 36 VAL HB 3.290 . 3.790 2.354 2.164 2.587 . 0 0 "[ . 1 . 2]" 1
972 1 27 ALA MB 1 36 VAL QG . . 3.420 2.540 2.276 2.834 . 0 0 "[ . 1 . 2]" 1
973 1 27 ALA MB 1 37 VAL CG2 5.510 . 6.010 5.197 4.978 5.375 . 0 0 "[ . 1 . 2]" 1
974 1 27 ALA MB 1 37 VAL QG 4.180 . 4.680 5.271 5.039 5.452 0.772 8 17 "[**-*.**+ * *********]" 1
975 1 27 ALA MB 1 45 TYR QD 6.810 . 7.310 5.039 4.816 5.199 . 0 0 "[ . 1 . 2]" 1
976 1 27 ALA MB 1 45 TYR QE 7.410 . 7.910 5.405 5.130 5.563 . 0 0 "[ . 1 . 2]" 1
977 1 28 LEU CD1 1 35 ALA C 4.410 . 4.910 2.838 2.534 3.251 . 0 0 "[ . 1 . 2]" 1
978 1 28 LEU CD1 1 35 ALA MB 3.210 . 3.710 2.854 2.543 3.275 . 0 0 "[ . 1 . 2]" 1
979 1 28 LEU CD1 1 36 VAL QG 3.410 . 3.910 6.284 6.129 6.469 2.559 9 20 [********+**********-] 1
980 1 28 LEU CD1 1 53 ILE C 6.210 . 6.710 3.059 2.814 3.613 . 0 0 "[ . 1 . 2]" 1
981 1 28 LEU CG 1 29 HIS H 6.380 . 6.880 5.010 4.625 5.245 . 0 0 "[ . 1 . 2]" 1
982 1 28 LEU CG 1 35 ALA H 7.170 . 7.670 6.440 6.248 6.615 . 0 0 "[ . 1 . 2]" 1
983 1 28 LEU CG 1 35 ALA HA 5.720 . 6.220 4.348 3.857 4.664 . 0 0 "[ . 1 . 2]" 1
984 1 28 LEU CG 1 35 ALA MB 5.610 . 6.110 2.864 2.721 3.077 . 0 0 "[ . 1 . 2]" 1
985 1 28 LEU CG 1 37 VAL H 7.440 . 7.940 7.022 6.720 7.262 . 0 0 "[ . 1 . 2]" 1
986 1 28 LEU CG 1 53 ILE MD 6.640 . 7.140 3.941 3.776 4.333 . 0 0 "[ . 1 . 2]" 1
987 1 28 LEU H 1 28 LEU HG 3.680 . 4.180 2.959 2.703 3.299 . 0 0 "[ . 1 . 2]" 1
988 1 28 LEU HA 1 29 HIS H 2.820 . 3.320 2.278 1.967 2.583 . 0 0 "[ . 1 . 2]" 1
989 1 28 LEU HA 1 35 ALA HA 3.210 . 3.710 2.326 1.897 2.827 . 0 0 "[ . 1 . 2]" 1
990 1 28 LEU HA 1 35 ALA MB 4.410 . 4.910 2.547 2.165 3.018 . 0 0 "[ . 1 . 2]" 1
991 1 28 LEU HA 1 36 VAL H 3.410 . 3.910 3.021 2.660 3.335 . 0 0 "[ . 1 . 2]" 1
992 1 28 LEU HA 1 53 ILE MD 6.210 . 6.710 4.974 4.571 5.278 . 0 0 "[ . 1 . 2]" 1
993 1 28 LEU QB 1 29 HIS H 4.380 . 4.880 3.625 2.899 3.960 . 0 0 "[ . 1 . 2]" 1
994 1 28 LEU QB 1 29 HIS HE1 6.380 . 6.880 7.622 4.947 9.382 2.502 4 12 "[ * +** ****- * * *]" 1
995 1 28 LEU QB 1 35 ALA C 5.610 . 6.110 2.231 1.957 2.593 . 0 0 "[ . 1 . 2]" 1
996 1 28 LEU QB 1 35 ALA MB 4.560 . 5.060 2.236 1.959 2.604 . 0 0 "[ . 1 . 2]" 1
997 1 28 LEU QB 1 37 VAL QG 7.440 . 7.940 4.657 4.513 4.838 . 0 0 "[ . 1 . 2]" 1
998 1 28 LEU QB 1 53 ILE C 6.640 . 7.140 3.994 3.772 4.324 . 0 0 "[ . 1 . 2]" 1
999 1 28 LEU QD 1 29 HIS HE1 4.380 . 4.880 7.658 5.185 9.372 4.492 4 16 "[ **+** *****-*** **]" 1
1000 1 28 LEU QD 1 35 ALA C 4.560 . 5.060 1.795 1.738 1.859 0.062 6 0 "[ . 1 . 2]" 1
1001 1 29 HIS H 1 35 ALA HA 4.080 . 4.580 3.511 3.017 3.945 . 0 0 "[ . 1 . 2]" 1
1002 1 29 HIS H 1 35 ALA MB 5.150 . 5.650 4.090 2.990 4.438 . 0 0 "[ . 1 . 2]" 1
1003 1 29 HIS H 1 36 VAL H 4.550 . 5.050 4.431 3.822 4.880 . 0 0 "[ . 1 . 2]" 1
1004 1 29 HIS HE1 1 35 ALA C 5.150 . 5.650 8.171 5.982 10.028 4.378 20 19 "[*******-**** ******+]" 1
1005 1 29 HIS HE1 1 35 ALA MB 4.080 . 4.580 8.694 6.750 10.576 5.996 20 20 [************-******+] 1
1006 1 29 HIS HE1 1 36 VAL QG 4.550 . 5.050 8.056 4.939 10.659 5.609 3 16 "[**+*.** **** ****- *]" 1
1007 1 33 MET C 1 33 MET ME 4.520 . 5.020 3.782 3.310 4.539 . 0 0 "[ . 1 . 2]" 1
1008 1 33 MET C 1 34 THR C 4.300 . 4.800 2.796 2.445 2.998 . 0 0 "[ . 1 . 2]" 1
1009 1 33 MET C 1 34 THR MG 5.960 . 6.240 2.170 1.809 2.782 . 0 0 "[ . 1 . 2]" 1
1010 1 33 MET CE 1 34 THR C 5.620 . 6.120 4.481 3.499 5.335 . 0 0 "[ . 1 . 2]" 1
1011 1 33 MET CE 1 34 THR MG 4.750 . 5.250 2.969 2.605 3.544 . 0 0 "[ . 1 . 2]" 1
1012 1 33 MET CE 1 49 LEU QB 6.780 . 7.280 5.849 5.006 6.650 . 0 0 "[ . 1 . 2]" 1
1013 1 33 MET H 1 34 THR H 3.830 . 4.330 2.264 1.727 3.112 0.073 7 0 "[ . 1 . 2]" 1
1014 1 33 MET HA 1 49 LEU CG 5.780 . 6.280 5.426 4.677 5.822 . 0 0 "[ . 1 . 2]" 1
1015 1 33 MET QB 1 34 THR H 4.750 . 5.250 3.677 2.611 4.079 . 0 0 "[ . 1 . 2]" 1
1016 1 33 MET QB 1 34 THR MG 5.620 . 6.120 3.670 2.808 4.189 . 0 0 "[ . 1 . 2]" 1
1017 1 33 MET QB 1 49 LEU CG 6.780 . 7.280 4.356 3.574 5.636 . 0 0 "[ . 1 . 2]" 1
1018 1 33 MET ME 1 34 THR H 5.740 . 6.240 3.833 2.262 4.758 . 0 0 "[ . 1 . 2]" 1
1019 1 33 MET ME 1 34 THR HB 5.960 . 6.460 4.695 4.142 5.097 . 0 0 "[ . 1 . 2]" 1
1020 1 33 MET ME 1 34 THR MG 4.300 . 4.800 2.290 1.829 3.042 . 0 0 "[ . 1 . 2]" 1
1021 1 33 MET QG 1 34 THR H 5.510 . 6.010 2.999 1.976 4.064 . 0 0 "[ . 1 . 2]" 1
1022 1 33 MET QG 1 34 THR HB 5.950 . 6.450 4.852 4.344 5.353 . 0 0 "[ . 1 . 2]" 1
1023 1 33 MET HG2 1 34 THR MG 3.830 . 4.330 2.992 2.227 4.381 0.051 14 0 "[ . 1 . 2]" 1
1024 1 33 MET HG3 1 49 LEU QB 5.780 . 6.280 5.724 4.656 7.036 0.756 14 1 "[ . 1 +. 2]" 1
1025 1 34 THR C 1 35 ALA MB 4.470 . 4.970 2.714 2.513 2.970 . 0 0 "[ . 1 . 2]" 1
1026 1 34 THR C 1 47 GLU OE1 5.100 . 5.600 3.612 1.707 6.149 0.549 20 1 "[ . 1 . +]" 1
1027 1 34 THR C 1 48 VAL QG 4.880 . 5.380 5.134 4.917 5.352 . 0 0 "[ . 1 . 2]" 1
1028 1 34 THR C 1 49 LEU CD1 3.470 . 3.970 5.770 5.146 6.634 2.664 19 20 [**-***************+*] 1
1029 1 34 THR C 1 50 LEU HG 5.310 . 5.810 2.895 2.568 3.400 . 0 0 "[ . 1 . 2]" 1
1030 1 34 THR H 1 34 THR MG 4.460 . 4.960 2.985 2.616 3.308 . 0 0 "[ . 1 . 2]" 1
1031 1 34 THR H 1 35 ALA H 5.140 . 5.640 4.486 4.345 4.566 . 0 0 "[ . 1 . 2]" 1
1032 1 34 THR HA 1 35 ALA HA 5.470 . 5.970 4.515 4.367 4.676 . 0 0 "[ . 1 . 2]" 1
1033 1 34 THR HA 1 47 GLU QB 5.370 . 5.870 4.534 4.200 4.866 . 0 0 "[ . 1 . 2]" 1
1034 1 34 THR HA 1 49 LEU CG 6.450 . 6.950 4.646 4.306 4.885 . 0 0 "[ . 1 . 2]" 1
1035 1 34 THR HA 1 50 LEU HA 4.720 . 5.220 4.632 4.276 4.917 . 0 0 "[ . 1 . 2]" 1
1036 1 34 THR HB 1 35 ALA H 3.180 . 3.680 2.149 1.891 2.605 . 0 0 "[ . 1 . 2]" 1
1037 1 34 THR HB 1 47 GLU HA 3.620 . 4.120 3.573 3.021 3.917 . 0 0 "[ . 1 . 2]" 1
1038 1 34 THR HB 1 47 GLU QB 3.820 . 4.320 2.280 1.996 2.889 . 0 0 "[ . 1 . 2]" 1
1039 1 34 THR HB 1 47 GLU QG 4.130 . 4.630 3.274 2.499 3.882 . 0 0 "[ . 1 . 2]" 1
1040 1 34 THR HB 1 48 VAL H 4.270 . 4.770 3.058 2.480 3.645 . 0 0 "[ . 1 . 2]" 1
1041 1 34 THR MG 1 35 ALA H 4.470 . 4.970 3.377 3.037 3.677 . 0 0 "[ . 1 . 2]" 1
1042 1 34 THR MG 1 35 ALA MB . . 3.680 4.705 4.508 4.918 1.238 8 20 [***-***+************] 1
1043 1 34 THR MG 1 47 GLU C 4.130 . 4.630 3.719 3.121 4.412 . 0 0 "[ . 1 . 2]" 1
1044 1 34 THR MG 1 47 GLU CD 3.620 . 4.120 4.287 3.321 5.496 1.376 16 6 "[- . *1 ** *+ 2]" 1
1045 1 34 THR MG 1 47 GLU QB 5.100 . 5.600 2.902 2.252 3.645 . 0 0 "[ . 1 . 2]" 1
1046 1 34 THR MG 1 47 GLU OE1 3.820 . 4.320 3.906 2.443 5.429 1.109 16 3 "[ . *1 - .+ 2]" 1
1047 1 34 THR MG 1 48 VAL H 4.880 . 5.380 3.814 3.261 4.168 . 0 0 "[ . 1 . 2]" 1
1048 1 34 THR MG 1 48 VAL QG 4.270 . 4.770 4.339 3.815 4.797 0.027 12 0 "[ . 1 . 2]" 1
1049 1 34 THR MG 1 49 LEU HA 3.470 . 3.970 2.524 2.006 2.912 . 0 0 "[ . 1 . 2]" 1
1050 1 34 THR MG 1 49 LEU QB 6.450 . 6.950 3.630 2.985 4.104 . 0 0 "[ . 1 . 2]" 1
1051 1 34 THR MG 1 50 LEU CD1 4.720 . 5.220 5.992 5.629 6.441 1.221 15 17 "[*** ****** ***+ **-*]" 1
1052 1 34 THR MG 1 50 LEU H 5.310 . 5.810 4.154 3.753 4.402 . 0 0 "[ . 1 . 2]" 1
1053 1 35 ALA C 1 36 VAL QG 3.580 . 4.080 2.830 2.678 2.959 . 0 0 "[ . 1 . 2]" 1
1054 1 35 ALA C 1 37 VAL CG2 4.230 . 4.730 2.420 2.293 2.651 . 0 0 "[ . 1 . 2]" 1
1055 1 35 ALA C 1 48 VAL QG 4.760 . 5.260 3.351 3.110 3.703 . 0 0 "[ . 1 . 2]" 1
1056 1 35 ALA C 1 50 LEU CD1 4.960 . 5.460 4.207 3.940 4.554 . 0 0 "[ . 1 . 2]" 1
1057 1 35 ALA C 1 50 LEU QB 5.250 . 5.750 3.858 3.657 4.041 . 0 0 "[ . 1 . 2]" 1
1058 1 35 ALA C 1 53 ILE C 4.280 . 4.780 1.923 1.832 2.050 . 0 0 "[ . 1 . 2]" 1
1059 1 35 ALA C 1 53 ILE QG 4.730 . 5.230 3.410 3.291 3.489 . 0 0 "[ . 1 . 2]" 1
1060 1 35 ALA H 1 36 VAL H 4.920 . 5.420 4.270 4.127 4.360 . 0 0 "[ . 1 . 2]" 1
1061 1 35 ALA H 1 47 GLU HA 3.570 . 4.070 3.591 3.417 3.795 . 0 0 "[ . 1 . 2]" 1
1062 1 35 ALA H 1 48 VAL H 3.100 . 3.600 2.468 2.234 2.714 . 0 0 "[ . 1 . 2]" 1
1063 1 35 ALA H 1 48 VAL HB 4.970 . 5.470 4.278 3.860 4.538 . 0 0 "[ . 1 . 2]" 1
1064 1 35 ALA H 1 49 LEU HA 4.340 . 4.840 3.848 3.619 4.129 . 0 0 "[ . 1 . 2]" 1
1065 1 35 ALA H 1 50 LEU CG 6.360 . 6.860 4.979 4.677 5.339 . 0 0 "[ . 1 . 2]" 1
1066 1 35 ALA H 1 50 LEU H 5.010 . 5.510 4.397 3.984 4.620 . 0 0 "[ . 1 . 2]" 1
1067 1 35 ALA HA 1 36 VAL H 3.040 . 3.540 2.204 2.116 2.350 . 0 0 "[ . 1 . 2]" 1
1068 1 35 ALA MB 1 36 VAL H 3.580 . 4.080 2.972 2.794 3.130 . 0 0 "[ . 1 . 2]" 1
1069 1 35 ALA MB 1 36 VAL QG 3.040 . 3.540 4.166 4.075 4.349 0.809 6 20 [****-+**************] 1
1070 1 35 ALA MB 1 37 VAL QG 4.230 . 4.730 2.713 2.408 3.019 . 0 0 "[ . 1 . 2]" 1
1071 1 35 ALA MB 1 47 GLU CD 3.570 . 4.070 7.354 6.090 8.295 4.225 16 20 [******-********+****] 1
1072 1 35 ALA MB 1 48 VAL H 4.760 . 5.260 3.671 3.470 3.860 . 0 0 "[ . 1 . 2]" 1
1073 1 35 ALA MB 1 48 VAL QG . . 3.600 4.050 3.694 4.249 0.649 14 8 "[* * * * * +* -2]" 1
1074 1 35 ALA MB 1 49 LEU CD1 4.340 . 4.840 6.581 5.823 7.560 2.720 19 20 [***********-******+*] 1
1075 1 35 ALA MB 1 50 LEU CG 5.250 . 5.750 3.206 3.014 3.471 . 0 0 "[ . 1 . 2]" 1
1076 1 35 ALA MB 1 50 LEU HA 4.960 . 5.460 2.756 2.578 3.014 . 0 0 "[ . 1 . 2]" 1
1077 1 35 ALA MB 1 50 LEU QB 6.360 . 6.860 3.892 3.686 4.082 . 0 0 "[ . 1 . 2]" 1
1078 1 35 ALA MB 1 50 LEU HG 5.010 . 5.510 2.787 2.457 3.273 . 0 0 "[ . 1 . 2]" 1
1079 1 35 ALA MB 1 53 ILE MD 4.280 . 4.780 1.943 1.852 2.079 . 0 0 "[ . 1 . 2]" 1
1080 1 35 ALA MB 1 53 ILE QG 4.730 . 5.230 3.526 3.375 3.628 . 0 0 "[ . 1 . 2]" 1
1081 1 36 VAL C 1 47 GLU CD 4.100 . 4.600 4.446 2.895 5.561 0.961 12 3 "[ . 1 +- . *]" 1
1082 1 36 VAL C 1 48 VAL QG 5.720 . 6.220 4.266 4.013 4.852 . 0 0 "[ . 1 . 2]" 1
1083 1 36 VAL CG2 1 37 VAL QG 3.730 . 4.230 3.559 3.471 3.677 . 0 0 "[ . 1 . 2]" 1
1084 1 36 VAL CG2 1 38 LYS CD 5.960 . 6.460 6.663 6.326 6.984 0.524 16 1 "[ . 1 .+ 2]" 1
1085 1 36 VAL CG2 1 45 TYR C 4.990 . 5.490 3.413 2.977 3.618 . 0 0 "[ . 1 . 2]" 1
1086 1 36 VAL CG2 1 45 TYR CD2 4.140 . 4.640 2.691 2.483 2.876 . 0 0 "[ . 1 . 2]" 1
1087 1 36 VAL CG2 1 45 TYR CE2 4.340 . 4.840 3.605 3.325 3.839 . 0 0 "[ . 1 . 2]" 1
1088 1 36 VAL CG2 1 45 TYR CE2 4.170 . 4.670 3.551 3.279 3.776 . 0 0 "[ . 1 . 2]" 1
1089 1 36 VAL CG2 1 45 TYR HH 4.340 . 4.840 5.352 4.988 5.629 0.789 1 11 "[+** .** ** * - ** 2]" 1
1090 1 36 VAL CG2 1 45 TYR OH 5.070 . 5.570 5.458 5.128 5.727 0.157 10 0 "[ . 1 . 2]" 1
1091 1 36 VAL CG2 1 46 GLU CD 4.440 . 4.940 6.268 5.991 6.494 1.554 15 20 [*********-****+*****] 1
1092 1 36 VAL CG2 1 46 GLU QG 4.540 . 5.040 4.541 4.258 4.762 . 0 0 "[ . 1 . 2]" 1
1093 1 36 VAL CG2 1 47 GLU QG 5.250 . 5.750 3.700 1.859 4.899 . 0 0 "[ . 1 . 2]" 1
1094 1 36 VAL H 1 36 VAL HB 3.380 . 3.880 2.758 2.582 3.019 . 0 0 "[ . 1 . 2]" 1
1095 1 36 VAL H 1 36 VAL QG 3.690 . 4.190 2.342 2.112 2.516 . 0 0 "[ . 1 . 2]" 1
1096 1 36 VAL H 1 37 VAL H 5.290 . 5.790 4.466 4.305 4.595 . 0 0 "[ . 1 . 2]" 1
1097 1 36 VAL H 1 50 LEU CG 7.080 . 7.580 7.090 6.845 7.307 . 0 0 "[ . 1 . 2]" 1
1098 1 36 VAL HA 1 37 VAL H 2.790 . 3.290 2.163 1.998 2.258 . 0 0 "[ . 1 . 2]" 1
1099 1 36 VAL HA 1 37 VAL QG 5.020 . 5.030 3.227 3.112 3.373 . 0 0 "[ . 1 . 2]" 1
1100 1 36 VAL HA 1 45 TYR QB 5.990 . 6.490 4.089 3.926 4.299 . 0 0 "[ . 1 . 2]" 1
1101 1 36 VAL HA 1 46 GLU H 4.500 . 5.000 4.061 3.707 4.383 . 0 0 "[ . 1 . 2]" 1
1102 1 36 VAL HA 1 47 GLU H 4.690 . 5.190 4.367 4.076 4.670 . 0 0 "[ . 1 . 2]" 1
1103 1 36 VAL HA 1 47 GLU HA 3.210 . 3.710 2.544 2.085 2.852 . 0 0 "[ . 1 . 2]" 1
1104 1 36 VAL HA 1 47 GLU QB 5.330 . 5.830 4.079 3.299 4.848 . 0 0 "[ . 1 . 2]" 1
1105 1 36 VAL HB 1 37 VAL HA 4.520 . 5.020 4.647 4.554 4.720 . 0 0 "[ . 1 . 2]" 1
1106 1 36 VAL HB 1 45 TYR QD 4.650 . 5.150 4.195 3.929 4.410 . 0 0 "[ . 1 . 2]" 1
1107 1 36 VAL QG 1 37 VAL C 4.530 . 5.030 3.138 3.067 3.197 . 0 0 "[ . 1 . 2]" 1
1108 1 36 VAL QG 1 37 VAL CG2 5.020 . 5.520 3.536 3.446 3.656 . 0 0 "[ . 1 . 2]" 1
1109 1 36 VAL QG 1 37 VAL H 3.730 . 4.230 2.604 2.287 2.913 . 0 0 "[ . 1 . 2]" 1
1110 1 36 VAL QG 1 37 VAL QG . . 3.290 3.625 3.532 3.752 0.462 13 0 "[ . 1 . 2]" 1
1111 1 36 VAL QG 1 38 LYS HA 5.960 . 6.460 4.871 4.770 4.971 . 0 0 "[ . 1 . 2]" 1
1112 1 36 VAL QG 1 45 TYR CD2 4.650 . 5.150 2.698 2.489 2.884 . 0 0 "[ . 1 . 2]" 1
1113 1 36 VAL QG 1 45 TYR CE2 5.990 . 6.490 3.568 3.293 3.796 . 0 0 "[ . 1 . 2]" 1
1114 1 36 VAL QG 1 45 TYR HA 5.070 . 5.570 4.053 3.831 4.213 . 0 0 "[ . 1 . 2]" 1
1115 1 36 VAL QG 1 45 TYR HB2 4.340 . 4.840 2.053 1.935 2.176 . 0 0 "[ . 1 . 2]" 1
1116 1 36 VAL QG 1 45 TYR QB 4.170 . 4.670 2.026 1.918 2.147 . 0 0 "[ . 1 . 2]" 1
1117 1 36 VAL QG 1 45 TYR HB3 4.340 . 4.840 3.165 2.727 3.391 . 0 0 "[ . 1 . 2]" 1
1118 1 36 VAL QG 1 45 TYR QD 4.140 . 4.640 2.014 1.893 2.134 . 0 0 "[ . 1 . 2]" 1
1119 1 36 VAL QG 1 45 TYR QE 4.990 . 5.490 3.577 3.294 3.779 . 0 0 "[ . 1 . 2]" 1
1120 1 36 VAL QG 1 46 GLU H 4.540 . 5.040 3.148 2.710 3.492 . 0 0 "[ . 1 . 2]" 1
1121 1 36 VAL QG 1 46 GLU HA 4.440 . 4.940 3.134 2.785 3.476 . 0 0 "[ . 1 . 2]" 1
1122 1 36 VAL QG 1 46 GLU QG 4.500 . 5.000 4.589 4.300 4.807 . 0 0 "[ . 1 . 2]" 1
1123 1 36 VAL QG 1 47 GLU CD 3.210 . 3.710 4.481 2.900 5.653 1.943 12 14 "[** ** * **+**-** *]" 1
1124 1 36 VAL QG 1 47 GLU H 5.250 . 5.750 3.669 3.296 4.021 . 0 0 "[ . 1 . 2]" 1
1125 1 36 VAL QG 1 47 GLU HA 4.100 . 4.600 3.056 2.701 3.247 . 0 0 "[ . 1 . 2]" 1
1126 1 36 VAL QG 1 47 GLU QG 4.690 . 5.190 3.791 1.893 5.032 . 0 0 "[ . 1 . 2]" 1
1127 1 36 VAL QG 1 47 GLU OE1 5.330 . 5.830 4.122 2.538 5.057 . 0 0 "[ . 1 . 2]" 1
1128 1 36 VAL QG 1 48 VAL H 5.720 . 6.220 4.382 4.078 4.549 . 0 0 "[ . 1 . 2]" 1
1129 1 36 VAL QG 1 50 LEU QB 7.080 . 7.580 7.799 7.614 7.971 0.391 15 0 "[ . 1 . 2]" 1
1130 1 37 VAL C 1 38 LYS QG 5.030 . 5.530 4.075 3.943 4.210 . 0 0 "[ . 1 . 2]" 1
1131 1 37 VAL C 1 46 GLU C 5.810 . 6.310 2.587 2.412 2.718 . 0 0 "[ . 1 . 2]" 1
1132 1 37 VAL C 1 46 GLU QG 4.410 . 4.910 3.227 2.889 3.743 . 0 0 "[ . 1 . 2]" 1
1133 1 37 VAL C 1 46 GLU OE1 6.660 . 7.160 4.810 4.438 5.036 . 0 0 "[ . 1 . 2]" 1
1134 1 37 VAL C 1 47 GLU CD 5.870 . 6.370 6.603 6.039 7.053 0.683 8 3 "[ . + 1* . - 2]" 1
1135 1 37 VAL C 1 48 VAL CB 5.780 . 6.280 3.315 3.031 3.576 . 0 0 "[ . 1 . 2]" 1
1136 1 37 VAL C 1 48 VAL QG 4.970 . 5.470 2.218 1.976 2.987 . 0 0 "[ . 1 . 2]" 1
1137 1 37 VAL CG2 1 38 LYS QG 4.850 . 5.350 5.382 5.140 5.514 0.164 7 0 "[ . 1 . 2]" 1
1138 1 37 VAL CG2 1 47 GLU CD 6.610 . 7.110 6.692 6.067 7.139 0.029 8 0 "[ . 1 . 2]" 1
1139 1 37 VAL CG2 1 48 VAL QG 5.360 . 5.860 2.166 1.929 2.916 . 0 0 "[ . 1 . 2]" 1
1140 1 37 VAL CG2 1 53 ILE C 4.590 . 5.090 2.079 1.970 2.433 . 0 0 "[ . 1 . 2]" 1
1141 1 37 VAL CG2 1 53 ILE CD1 4.340 . 4.840 2.023 1.911 2.358 . 0 0 "[ . 1 . 2]" 1
1142 1 37 VAL CG2 1 53 ILE CG1 6.440 . 6.940 3.145 2.948 3.514 . 0 0 "[ . 1 . 2]" 1
1143 1 37 VAL H 1 37 VAL QG 4.080 . 4.140 2.202 2.030 2.343 . 0 0 "[ . 1 . 2]" 1
1144 1 37 VAL H 1 38 LYS H 4.380 . 4.880 4.355 4.264 4.450 . 0 0 "[ . 1 . 2]" 1
1145 1 37 VAL H 1 38 LYS HA 4.860 . 5.360 4.838 4.720 4.955 . 0 0 "[ . 1 . 2]" 1
1146 1 37 VAL H 1 45 TYR HA 4.490 . 4.990 4.146 3.916 4.338 . 0 0 "[ . 1 . 2]" 1
1147 1 37 VAL H 1 46 GLU H 3.690 . 4.190 2.790 2.451 3.025 . 0 0 "[ . 1 . 2]" 1
1148 1 37 VAL H 1 48 VAL CB 6.770 . 7.270 5.754 5.479 6.172 . 0 0 "[ . 1 . 2]" 1
1149 1 37 VAL HA 1 38 LYS H 2.870 . 3.370 2.253 2.128 2.329 . 0 0 "[ . 1 . 2]" 1
1150 1 37 VAL HA 1 53 ILE MD 6.610 . 7.110 5.073 4.887 5.442 . 0 0 "[ . 1 . 2]" 1
1151 1 37 VAL HB 1 38 LYS H 3.340 . 3.840 3.172 2.955 3.431 . 0 0 "[ . 1 . 2]" 1
1152 1 37 VAL QG 1 38 LYS CD 4.860 . 5.360 7.088 6.877 7.308 1.948 7 20 [*****-+*************] 1
1153 1 37 VAL QG 1 38 LYS H 4.850 . 5.350 3.564 3.395 3.675 . 0 0 "[ . 1 . 2]" 1
1154 1 37 VAL QG 1 38 LYS QG . . 3.370 5.572 5.324 5.702 2.332 7 20 [*****-+*************] 1
1155 1 37 VAL QG 1 45 TYR OH 4.490 . 4.990 8.725 8.520 9.016 4.026 13 20 [********-***+*******] 1
1156 1 37 VAL QG 1 46 GLU H 4.410 . 4.910 3.392 3.088 3.611 . 0 0 "[ . 1 . 2]" 1
1157 1 37 VAL QG 1 46 GLU QB 6.660 . 7.160 4.795 3.822 4.959 . 0 0 "[ . 1 . 2]" 1
1158 1 37 VAL QG 1 46 GLU QG . . 4.190 3.547 3.300 4.355 0.165 5 0 "[ . 1 . 2]" 1
1159 1 37 VAL QG 1 47 GLU HA 5.870 . 6.370 3.936 3.477 4.239 . 0 0 "[ . 1 . 2]" 1
1160 1 37 VAL QG 1 48 VAL CB 5.780 . 6.280 3.327 3.039 3.591 . 0 0 "[ . 1 . 2]" 1
1161 1 37 VAL QG 1 48 VAL HB 5.360 . 5.470 2.790 2.539 3.265 . 0 0 "[ . 1 . 2]" 1
1162 1 37 VAL QG 1 53 ILE C 6.610 . 7.110 2.087 1.976 2.443 . 0 0 "[ . 1 . 2]" 1
1163 1 37 VAL QG 1 53 ILE HB 6.440 . 6.940 4.218 3.976 4.454 . 0 0 "[ . 1 . 2]" 1
1164 1 37 VAL QG 1 53 ILE MD 4.590 . 5.090 2.089 1.977 2.447 . 0 0 "[ . 1 . 2]" 1
1165 1 37 VAL QG 1 53 ILE MG 4.340 . 4.840 2.578 2.247 2.849 . 0 0 "[ . 1 . 2]" 1
1166 1 38 LYS CD 1 39 PHE CD2 5.030 . 5.530 7.559 7.142 8.114 2.584 16 20 [***************+**-*] 1
1167 1 38 LYS CD 1 39 PHE QE 2.950 . 3.450 8.881 8.474 9.126 5.676 2 20 [*+****************-*] 1
1168 1 38 LYS CD 1 44 ASN ND2 4.630 . 5.130 7.618 6.763 8.128 2.998 1 20 [+******************-] 1
1169 1 38 LYS CD 1 45 TYR CE2 5.070 . 5.570 5.913 5.302 6.535 0.965 15 8 "[ *.** 1 - *+** 2]" 1
1170 1 38 LYS CD 1 45 TYR OH 3.310 . 3.810 6.216 5.528 6.897 3.087 15 20 [*********-****+*****] 1
1171 1 38 LYS CD 1 46 GLU QG 4.180 . 4.680 8.499 7.886 9.101 4.421 10 20 [*********+***-******] 1
1172 1 38 LYS CE 1 39 PHE QE 4.320 . 4.820 9.638 9.301 9.940 5.120 1 20 [+*************-*****] 1
1173 1 38 LYS CE 1 40 ILE MG 4.420 . 4.920 5.444 4.773 6.006 1.086 12 12 "[* *** **1*+* . **-]" 1
1174 1 38 LYS CE 1 43 GLY C 4.780 . 5.280 3.575 3.334 3.784 . 0 0 "[ . 1 . 2]" 1
1175 1 38 LYS CE 1 43 GLY O 5.500 . 6.000 3.297 2.936 3.778 . 0 0 "[ . 1 . 2]" 1
1176 1 38 LYS H 1 38 LYS HB2 3.780 . 4.280 2.931 2.749 3.148 . 0 0 "[ . 1 . 2]" 1
1177 1 38 LYS H 1 38 LYS HB3 3.820 . 4.320 2.450 2.322 2.558 . 0 0 "[ . 1 . 2]" 1
1178 1 38 LYS H 1 38 LYS QD 5.050 . 5.550 4.573 4.423 4.777 . 0 0 "[ . 1 . 2]" 1
1179 1 38 LYS H 1 38 LYS QG 4.370 . 4.870 3.997 3.901 4.063 . 0 0 "[ . 1 . 2]" 1
1180 1 38 LYS H 1 46 GLU H 5.200 . 5.700 5.267 5.082 5.359 . 0 0 "[ . 1 . 2]" 1
1181 1 38 LYS HA 1 38 LYS QD 4.870 . 5.040 3.914 3.690 4.039 . 0 0 "[ . 1 . 2]" 1
1182 1 38 LYS HA 1 38 LYS QG 3.830 . 4.330 2.511 2.257 2.665 . 0 0 "[ . 1 . 2]" 1
1183 1 38 LYS HA 1 39 PHE H 2.950 . 3.450 2.148 2.031 2.320 . 0 0 "[ . 1 . 2]" 1
1184 1 38 LYS HA 1 39 PHE QD 5.030 . 5.530 3.945 3.499 4.521 . 0 0 "[ . 1 . 2]" 1
1185 1 38 LYS HA 1 44 ASN HA 4.630 . 5.130 4.373 4.044 4.530 . 0 0 "[ . 1 . 2]" 1
1186 1 38 LYS HA 1 45 TYR HA 3.310 . 3.810 2.240 2.049 2.462 . 0 0 "[ . 1 . 2]" 1
1187 1 38 LYS HA 1 45 TYR QB 5.070 . 5.570 2.256 2.083 2.686 . 0 0 "[ . 1 . 2]" 1
1188 1 38 LYS HA 1 46 GLU H 4.180 . 4.680 3.985 3.758 4.237 . 0 0 "[ . 1 . 2]" 1
1189 1 38 LYS HB2 1 38 LYS QE 4.690 . 5.120 4.074 3.936 4.148 . 0 0 "[ . 1 . 2]" 1
1190 1 38 LYS HB2 1 45 TYR HA 5.040 . 5.540 3.879 3.511 4.135 . 0 0 "[ . 1 . 2]" 1
1191 1 38 LYS HB2 1 45 TYR QD 4.270 . 4.770 2.381 2.073 2.728 . 0 0 "[ . 1 . 2]" 1
1192 1 38 LYS HB2 1 45 TYR QE 4.690 . 5.190 4.151 3.967 4.282 . 0 0 "[ . 1 . 2]" 1
1193 1 38 LYS HB2 1 46 GLU H 5.490 . 5.990 5.443 5.244 5.616 . 0 0 "[ . 1 . 2]" 1
1194 1 38 LYS HB3 1 45 TYR HA 5.500 . 6.000 5.052 4.804 5.309 . 0 0 "[ . 1 . 2]" 1
1195 1 38 LYS HB3 1 45 TYR QD 4.510 . 5.010 3.966 3.727 4.177 . 0 0 "[ . 1 . 2]" 1
1196 1 38 LYS HB3 1 45 TYR QE 6.170 . 6.670 5.470 5.153 5.655 . 0 0 "[ . 1 . 2]" 1
1197 1 38 LYS QD 1 43 GLY QA 5.500 . 5.500 4.006 3.818 4.358 . 0 0 "[ . 1 . 2]" 1
1198 1 38 LYS QD 1 44 ASN H 5.110 . 5.610 4.616 3.933 4.883 . 0 0 "[ . 1 . 2]" 1
1199 1 38 LYS QD 1 44 ASN HA 5.040 . 5.540 3.215 2.744 3.524 . 0 0 "[ . 1 . 2]" 1
1200 1 38 LYS QD 1 45 TYR C 4.690 . 5.190 2.266 1.974 2.572 . 0 0 "[ . 1 . 2]" 1
1201 1 38 LYS QD 1 45 TYR CD2 4.510 . 4.770 2.780 2.354 3.232 . 0 0 "[ . 1 . 2]" 1
1202 1 38 LYS QD 1 45 TYR QD 4.640 . 5.140 2.265 1.974 2.572 . 0 0 "[ . 1 . 2]" 1
1203 1 38 LYS QD 1 45 TYR QE 3.730 . 4.230 2.794 2.362 3.252 . 0 0 "[ . 1 . 2]" 1
1204 1 38 LYS QD 1 45 TYR OH 5.040 . 5.540 4.984 4.329 5.599 0.059 15 0 "[ . 1 . 2]" 1
1205 1 38 LYS QD 1 46 GLU QG 5.490 . 5.990 7.646 7.113 8.188 2.198 10 20 [*********+***-******] 1
1206 1 38 LYS QE 1 39 PHE QE 4.010 . 4.510 8.520 8.141 8.933 4.423 1 20 [+*************-*****] 1
1207 1 38 LYS QE 1 40 ILE HA 5.700 . 6.200 4.224 3.329 5.203 . 0 0 "[ . 1 . 2]" 1
1208 1 38 LYS QE 1 43 GLY C 5.000 . 5.500 2.667 2.336 2.899 . 0 0 "[ . 1 . 2]" 1
1209 1 38 LYS QE 1 43 GLY H 4.950 . 5.450 4.003 3.336 4.390 . 0 0 "[ . 1 . 2]" 1
1210 1 38 LYS QE 1 43 GLY QA 5.310 . 5.530 2.180 1.918 2.608 . 0 0 "[ . 1 . 2]" 1
1211 1 38 LYS QE 1 43 GLY O 5.500 . 5.570 2.395 2.129 2.785 . 0 0 "[ . 1 . 2]" 1
1212 1 38 LYS QE 1 44 ASN H 4.650 . 5.150 3.915 3.327 4.238 . 0 0 "[ . 1 . 2]" 1
1213 1 38 LYS QE 1 44 ASN HA 4.460 . 4.960 3.475 2.917 3.879 . 0 0 "[ . 1 . 2]" 1
1214 1 38 LYS QE 1 44 ASN OD1 5.110 . 5.610 6.038 4.762 6.896 1.286 8 10 "[* *-** + 1 ** . * *2]" 1
1215 1 38 LYS QE 1 45 TYR C 3.730 . 4.230 3.872 3.563 4.131 . 0 0 "[ . 1 . 2]" 1
1216 1 38 LYS QE 1 45 TYR CD2 5.440 . 5.940 3.964 3.385 4.509 . 0 0 "[ . 1 . 2]" 1
1217 1 38 LYS QG 1 39 PHE H 4.320 . 4.510 3.246 3.038 3.536 . 0 0 "[ . 1 . 2]" 1
1218 1 38 LYS QG 1 40 ILE HA 4.420 . 4.920 3.491 3.051 4.022 . 0 0 "[ . 1 . 2]" 1
1219 1 38 LYS QG 1 43 GLY QA . . 5.280 3.063 2.679 3.628 . 0 0 "[ . 1 . 2]" 1
1220 1 38 LYS QG 1 45 TYR QD 5.440 . 5.940 2.776 2.286 3.209 . 0 0 "[ . 1 . 2]" 1
1221 1 38 LYS QG 1 46 GLU QG 5.200 . 5.700 6.437 5.952 6.966 1.266 10 18 "[*****-***+*** .*****]" 1
1222 1 38 LYS QZ 1 40 ILE MG 5.700 . 6.200 4.106 2.927 5.765 . 0 0 "[ . 1 . 2]" 1
1223 1 38 LYS QZ 1 43 GLY C 5.310 . 5.530 4.272 3.913 4.591 . 0 0 "[ . 1 . 2]" 1
1224 1 38 LYS QZ 1 43 GLY QA 4.950 . 5.450 3.352 2.629 3.834 . 0 0 "[ . 1 . 2]" 1
1225 1 38 LYS QZ 1 44 ASN ND2 4.460 . 4.960 7.671 6.826 8.587 3.627 13 20 [*********-**+*******] 1
1226 1 38 LYS QZ 1 44 ASN OD1 4.650 . 5.150 7.392 6.182 8.136 2.986 8 20 [*******+******-*****] 1
1227 1 38 LYS NZ 1 44 ASN ND2 5.040 . 5.540 8.857 7.841 9.905 4.365 13 20 [*********-**+*******] 1
1228 1 38 LYS NZ 1 45 TYR CD2 4.640 . 5.140 5.270 4.406 5.888 0.748 15 3 "[ . * 1 + - 2]" 1
1229 1 39 PHE CD2 1 40 ILE MG 5.320 . 5.820 7.328 7.040 7.519 1.699 17 20 [**************-*+***] 1
1230 1 39 PHE CD2 1 44 ASN OD1 5.140 . 5.640 5.821 4.499 9.138 3.498 15 6 "[ * . ** +- *]" 1
1231 1 39 PHE CE2 1 40 ILE MG 4.420 . 4.920 8.494 8.159 8.743 3.823 17 20 [**************-*+***] 1
1232 1 39 PHE CE2 1 41 ASP OD1 6.060 . 6.560 10.579 7.600 11.773 5.213 6 20 [*****+*********-****] 1
1233 1 39 PHE CE2 1 42 TYR C 4.550 . 5.050 5.576 5.235 5.822 0.772 7 14 "[****-*+*** **. * *]" 1
1234 1 39 PHE CE2 1 42 TYR CD2 3.500 . 4.000 5.744 5.048 6.112 2.112 8 20 [*******+*******-****] 1
1235 1 39 PHE CE2 1 42 TYR OH 5.440 . 5.940 7.542 6.509 8.165 2.225 8 20 [*******+*******-****] 1
1236 1 39 PHE CE2 1 43 GLY QA 4.930 . 5.430 7.991 7.542 8.307 2.877 2 20 [*+****************-*] 1
1237 1 39 PHE CE2 1 43 GLY O 6.170 . 6.670 9.074 8.396 9.979 3.309 16 20 [***************+**-*] 1
1238 1 39 PHE CE2 1 44 ASN OD1 3.820 . 4.320 6.979 5.506 10.772 6.452 15 20 [**************+*-***] 1
1239 1 39 PHE CZ 1 40 ILE CG1 5.140 . 5.640 8.892 8.531 9.224 3.584 10 20 [*********+***-******] 1
1240 1 39 PHE CZ 1 40 ILE QG 4.400 . 4.700 7.414 7.084 7.733 3.033 4 20 [***+*********-******] 1
1241 1 39 PHE CZ 1 40 ILE MG 2.780 . 3.280 9.328 9.071 9.540 6.260 4 20 [***+*********-******] 1
1242 1 39 PHE CZ 1 42 TYR CD2 4.990 . 5.490 6.269 6.003 6.565 1.075 8 20 [*******+***********-] 1
1243 1 39 PHE H 1 39 PHE QB 3.450 . 3.950 2.336 2.177 2.499 . 0 0 "[ . 1 . 2]" 1
1244 1 39 PHE H 1 39 PHE QD 4.280 . 4.780 2.454 1.881 2.944 . 0 0 "[ . 1 . 2]" 1
1245 1 39 PHE H 1 40 ILE HA 5.500 . 6.000 5.422 5.192 5.578 . 0 0 "[ . 1 . 2]" 1
1246 1 39 PHE H 1 45 TYR HA 3.730 . 4.230 3.228 3.055 3.586 . 0 0 "[ . 1 . 2]" 1
1247 1 39 PHE HA 1 40 ILE H 2.780 . 3.280 2.180 2.023 2.380 . 0 0 "[ . 1 . 2]" 1
1248 1 39 PHE HA 1 40 ILE HB 5.140 . 5.640 5.113 4.861 5.246 . 0 0 "[ . 1 . 2]" 1
1249 1 39 PHE HA 1 40 ILE QG 4.400 . 4.700 3.400 3.173 3.545 . 0 0 "[ . 1 . 2]" 1
1250 1 39 PHE HA 1 42 TYR QD 4.990 . 5.490 4.198 3.815 4.561 . 0 0 "[ . 1 . 2]" 1
1251 1 39 PHE QB 1 40 ILE H 4.420 . 4.920 3.442 3.151 3.802 . 0 0 "[ . 1 . 2]" 1
1252 1 39 PHE QB 1 41 ASP H 6.060 . 6.560 3.470 2.886 4.132 . 0 0 "[ . 1 . 2]" 1
1253 1 39 PHE QB 1 42 TYR HA 5.440 . 5.940 4.650 4.326 4.817 . 0 0 "[ . 1 . 2]" 1
1254 1 39 PHE QB 1 42 TYR QD 3.500 . 4.000 2.097 1.933 2.398 . 0 0 "[ . 1 . 2]" 1
1255 1 39 PHE QB 1 42 TYR QE 4.550 . 5.050 3.650 3.321 3.843 . 0 0 "[ . 1 . 2]" 1
1256 1 39 PHE QB 1 43 GLY H 4.930 . 5.430 3.386 2.776 3.888 . 0 0 "[ . 1 . 2]" 1
1257 1 39 PHE QB 1 43 GLY QA 6.170 . 6.670 4.676 4.409 4.983 . 0 0 "[ . 1 . 2]" 1
1258 1 39 PHE QB 1 44 ASN H 3.820 . 4.320 3.231 2.942 3.565 . 0 0 "[ . 1 . 2]" 1
1259 1 39 PHE QD 1 40 ILE H 5.320 . 5.820 4.011 3.682 4.291 . 0 0 "[ . 1 . 2]" 1
1260 1 39 PHE QD 1 44 ASN H 5.140 . 5.640 4.357 3.640 4.697 . 0 0 "[ . 1 . 2]" 1
1261 1 39 PHE QE 1 40 ILE MG 5.500 . 6.000 8.274 8.070 8.497 2.497 4 20 [***+***-************] 1
1262 1 39 PHE QE 1 45 TYR OH 3.730 . 4.230 11.417 10.705 11.851 7.621 2 20 [*+*-****************] 1
1263 1 40 ILE CD1 1 41 ASP OD1 5.440 . 5.940 6.684 4.768 7.790 1.850 3 14 "[ *+ .** **-***. ****]" 1
1264 1 40 ILE CD1 1 43 GLY C 6.610 . 7.110 8.035 7.686 8.369 1.259 12 20 [***********+*-******] 1
1265 1 40 ILE CG1 1 41 ASP OD1 4.040 . 4.540 7.425 5.303 8.538 3.998 3 20 [-*+*****************] 1
1266 1 40 ILE H 1 40 ILE HB 3.640 . 4.140 2.962 2.773 3.143 . 0 0 "[ . 1 . 2]" 1
1267 1 40 ILE H 1 40 ILE MD 4.660 . 5.160 3.640 3.418 3.823 . 0 0 "[ . 1 . 2]" 1
1268 1 40 ILE H 1 40 ILE QG 3.850 . 4.350 1.906 1.724 2.084 0.076 11 0 "[ . 1 . 2]" 1
1269 1 40 ILE HA 1 40 ILE QG 3.750 . 4.250 2.698 2.490 2.856 . 0 0 "[ . 1 . 2]" 1
1270 1 40 ILE HA 1 43 GLY H 5.160 . 5.660 3.891 3.436 4.462 . 0 0 "[ . 1 . 2]" 1
1271 1 40 ILE HA 1 43 GLY QA 5.030 . 5.530 4.023 3.396 4.498 . 0 0 "[ . 1 . 2]" 1
1272 1 40 ILE HB 1 41 ASP H 4.040 . 4.540 3.178 2.686 4.026 . 0 0 "[ . 1 . 2]" 1
1273 1 40 ILE MD 1 40 ILE MG 3.460 . 3.960 2.052 1.975 2.164 . 0 0 "[ . 1 . 2]" 1
1274 1 40 ILE QG 1 56 ILE C 6.610 . 7.110 4.334 3.840 4.628 . 0 0 "[ . 1 . 2]" 1
1275 1 40 ILE QG 1 56 ILE MD 6.610 . 7.110 4.344 3.846 4.641 . 0 0 "[ . 1 . 2]" 1
1276 1 40 ILE MG 1 41 ASP H 5.440 . 5.940 4.146 3.748 4.455 . 0 0 "[ . 1 . 2]" 1
1277 1 40 ILE MG 1 43 GLY C 5.030 . 5.530 6.730 6.150 7.223 1.693 12 20 [*-*********+********] 1
1278 1 40 ILE MG 1 43 GLY QA . . 5.660 4.923 4.317 5.362 . 0 0 "[ . 1 . 2]" 1
1279 1 43 GLY C 1 44 ASN ND2 4.540 . 5.040 4.375 3.656 5.354 0.314 13 0 "[ . 1 . 2]" 1
1280 1 43 GLY H 1 44 ASN H 3.470 . 3.970 2.733 2.252 3.370 . 0 0 "[ . 1 . 2]" 1
1281 1 43 GLY QA 1 44 ASN HA 4.540 . 5.040 4.015 3.841 4.110 . 0 0 "[ . 1 . 2]" 1
1282 1 43 GLY QA 1 44 ASN OD1 3.470 . 3.970 5.060 3.519 6.365 2.395 12 16 "[* *********+-*.** *2]" 1
1283 1 43 GLY O 1 44 ASN ND2 4.630 . 5.130 4.727 3.550 5.932 0.802 13 2 "[ . -1 + . 2]" 1
1284 1 44 ASN HA 1 45 TYR H 2.950 . 3.450 2.497 2.326 2.752 . 0 0 "[ . 1 . 2]" 1
1285 1 44 ASN HA 1 45 TYR HA 4.590 . 5.090 4.421 4.287 4.579 . 0 0 "[ . 1 . 2]" 1
1286 1 44 ASN HA 1 45 TYR QB 5.990 . 6.490 4.472 4.115 4.801 . 0 0 "[ . 1 . 2]" 1
1287 1 44 ASN HA 1 45 TYR QD 4.110 . 4.610 2.644 2.255 3.048 . 0 0 "[ . 1 . 2]" 1
1288 1 44 ASN QB 1 45 TYR H 4.230 . 4.730 2.432 2.224 2.609 . 0 0 "[ . 1 . 2]" 1
1289 1 44 ASN QB 1 45 TYR QE 6.010 . 6.510 4.775 4.524 5.006 . 0 0 "[ . 1 . 2]" 1
1290 1 44 ASN QD 1 45 TYR C 6.010 . 6.510 5.293 3.833 6.051 . 0 0 "[ . 1 . 2]" 1
1291 1 44 ASN QD 1 45 TYR CZ 4.230 . 4.730 7.872 5.739 8.554 3.824 1 20 [+******************-] 1
1292 1 44 ASN ND2 1 45 TYR CD2 4.110 . 4.610 6.805 5.246 7.343 2.733 1 20 [+******************-] 1
1293 1 44 ASN ND2 1 45 TYR CE2 5.990 . 6.490 8.407 6.975 9.067 2.577 1 19 [+**************-***2] 1
1294 1 44 ASN ND2 1 45 TYR CZ 2.950 . 3.450 8.582 6.843 9.302 5.852 1 20 [+******************-] 1
1295 1 44 ASN ND2 1 45 TYR OH 4.590 . 5.090 9.315 7.232 10.229 5.139 1 20 [+******************-] 1
1296 1 45 TYR CE2 1 46 GLU QG 4.070 . 4.570 7.608 7.151 7.955 3.385 1 20 [+**-****************] 1
1297 1 45 TYR CE2 1 46 GLU QG 4.220 . 4.720 7.898 7.410 8.250 3.530 1 20 [+**-****************] 1
1298 1 45 TYR CZ 1 46 GLU QG 4.570 . 5.070 8.459 7.942 8.825 3.755 1 20 [+***-***************] 1
1299 1 45 TYR H 1 45 TYR HB2 4.060 . 4.560 3.708 3.417 3.889 . 0 0 "[ . 1 . 2]" 1
1300 1 45 TYR H 1 45 TYR HB3 4.060 . 4.560 3.515 3.338 3.682 . 0 0 "[ . 1 . 2]" 1
1301 1 45 TYR H 1 45 TYR QD 3.700 . 4.200 2.545 2.243 2.939 . 0 0 "[ . 1 . 2]" 1
1302 1 45 TYR H 1 45 TYR QE 4.300 . 4.800 3.923 3.747 4.049 . 0 0 "[ . 1 . 2]" 1
1303 1 45 TYR H 1 46 GLU H 4.570 . 5.070 4.469 4.365 4.535 . 0 0 "[ . 1 . 2]" 1
1304 1 45 TYR HA 1 45 TYR QD 4.220 . 4.720 3.570 3.484 3.690 . 0 0 "[ . 1 . 2]" 1
1305 1 45 TYR HA 1 46 GLU H 3.030 . 3.530 2.171 2.024 2.312 . 0 0 "[ . 1 . 2]" 1
1306 1 45 TYR HA 1 46 GLU HA 4.680 . 5.180 4.488 4.348 4.603 . 0 0 "[ . 1 . 2]" 1
1307 1 45 TYR QB 1 46 GLU H 4.070 . 4.570 2.498 2.275 2.789 . 0 0 "[ . 1 . 2]" 1
1308 1 45 TYR HB2 1 46 GLU H 4.220 . 4.720 2.582 2.320 2.898 . 0 0 "[ . 1 . 2]" 1
1309 1 45 TYR HB3 1 46 GLU H 4.220 . 4.720 3.368 2.965 3.660 . 0 0 "[ . 1 . 2]" 1
1310 1 45 TYR HH 1 46 GLU QG 4.220 . 4.720 9.943 9.323 10.439 5.719 1 20 [+***-***************] 1
1311 1 45 TYR OH 1 46 GLU CD 4.680 . 5.180 12.126 11.661 12.497 7.317 1 20 [+**-****************] 1
1312 1 45 TYR OH 1 46 GLU QG 3.030 . 3.530 9.618 9.029 10.037 6.507 1 20 [+***-***************] 1
1313 1 46 GLU C 1 46 GLU CD 3.980 . 4.480 4.280 4.135 4.652 0.172 5 0 "[ . 1 . 2]" 1
1314 1 46 GLU C 1 47 GLU QG 5.060 . 5.560 3.854 3.238 4.407 . 0 0 "[ . 1 . 2]" 1
1315 1 46 GLU CD 1 47 GLU QG 2.810 . 3.310 6.534 5.709 7.376 4.066 9 20 [********+-**********] 1
1316 1 46 GLU CD 1 47 GLU OE1 5.420 . 5.920 6.822 4.297 8.868 2.948 18 10 "[ **** *- 1* . *+*2]" 1
1317 1 46 GLU H 1 46 GLU QG 4.740 . 5.240 2.587 2.334 2.911 . 0 0 "[ . 1 . 2]" 1
1318 1 46 GLU HA 1 47 GLU H 2.810 . 3.310 2.395 2.199 2.561 . 0 0 "[ . 1 . 2]" 1
1319 1 46 GLU HA 1 47 GLU QB 5.420 . 5.920 4.338 4.018 4.863 . 0 0 "[ . 1 . 2]" 1
1320 1 46 GLU QB 1 47 GLU H 3.810 . 4.310 2.322 1.979 2.543 . 0 0 "[ . 1 . 2]" 1
1321 1 46 GLU QB 1 47 GLU QB 5.760 . 6.260 4.257 3.476 4.691 . 0 0 "[ . 1 . 2]" 1
1322 1 46 GLU QB 1 48 VAL CB 7.110 . 7.610 6.276 5.278 6.446 . 0 0 "[ . 1 . 2]" 1
1323 1 46 GLU QG 1 47 GLU H 5.060 . 5.560 3.749 3.250 4.185 . 0 0 "[ . 1 . 2]" 1
1324 1 46 GLU OE1 1 47 GLU QG 3.810 . 4.310 5.916 4.860 6.871 2.561 9 20 [********+-**********] 1
1325 1 46 GLU OE1 1 47 GLU OE1 5.760 . 6.260 6.181 3.535 8.089 1.829 18 10 "[ **** *- 1* . *+*2]" 1
1326 1 46 GLU OE1 1 48 VAL CB 7.110 . 7.610 6.339 5.732 6.906 . 0 0 "[ . 1 . 2]" 1
1327 1 47 GLU C 1 47 GLU CD 4.030 . 4.530 3.928 2.978 4.731 0.201 19 0 "[ . 1 . 2]" 1
1328 1 47 GLU C 1 47 GLU OE1 3.340 . 3.840 3.849 2.729 4.678 0.838 19 5 "[ **. 1* . -+2]" 1
1329 1 47 GLU CD 1 48 VAL CB 6.060 . 6.560 7.559 6.734 8.203 1.643 11 17 "[-********1+ *******]" 1
1330 1 47 GLU CD 1 48 VAL QG 2.890 . 3.390 5.913 4.947 6.621 3.231 3 20 [**+********-********] 1
1331 1 47 GLU H 1 47 GLU QB 3.230 . 3.730 2.467 2.120 2.833 . 0 0 "[ . 1 . 2]" 1
1332 1 47 GLU HA 1 48 VAL CB 6.060 . 6.560 4.653 4.454 4.833 . 0 0 "[ . 1 . 2]" 1
1333 1 47 GLU HA 1 48 VAL H 2.890 . 3.390 2.125 1.985 2.252 . 0 0 "[ . 1 . 2]" 1
1334 1 47 GLU QB 1 48 VAL CB 7.420 . 7.920 5.292 4.977 5.682 . 0 0 "[ . 1 . 2]" 1
1335 1 47 GLU QB 1 48 VAL H 3.740 . 4.240 2.962 2.667 3.276 . 0 0 "[ . 1 . 2]" 1
1336 1 47 GLU OE1 1 48 VAL CB 7.420 . 7.920 7.091 6.270 7.754 . 0 0 "[ . 1 . 2]" 1
1337 1 47 GLU OE1 1 48 VAL QG 3.740 . 4.240 5.516 4.521 6.234 1.994 19 17 "[*********1* *****+-]" 1
1338 1 48 VAL CB 1 49 LEU CD1 6.800 . 7.300 7.627 7.142 8.049 0.749 19 10 "[* * * 1 *-**** +2]" 1
1339 1 48 VAL CB 1 49 LEU H 5.930 . 6.430 3.383 3.240 3.515 . 0 0 "[ . 1 . 2]" 1
1340 1 48 VAL CB 1 49 LEU HA 6.800 . 7.300 5.189 5.096 5.323 . 0 0 "[ . 1 . 2]" 1
1341 1 48 VAL CB 1 49 LEU HG 5.930 . 6.430 7.406 7.055 7.754 1.324 12 20 [*******-***+********] 1
1342 1 48 VAL CB 1 52 ASN H 6.360 . 6.860 5.857 5.672 6.099 . 0 0 "[ . 1 . 2]" 1
1343 1 48 VAL CB 1 52 ASN HB2 5.950 . 6.450 4.368 3.941 4.723 . 0 0 "[ . 1 . 2]" 1
1344 1 48 VAL CB 1 52 ASN QB 5.790 . 6.290 4.045 3.681 4.312 . 0 0 "[ . 1 . 2]" 1
1345 1 48 VAL CB 1 52 ASN HB3 5.950 . 6.450 4.793 4.202 5.214 . 0 0 "[ . 1 . 2]" 1
1346 1 48 VAL CB 1 52 ASN QD 5.950 . 6.290 6.007 5.022 7.398 1.108 3 6 "[ -+ * 1 * * * 2]" 1
1347 1 48 VAL CB 1 52 ASN OD1 6.360 . 6.860 6.894 5.547 7.723 0.863 6 7 "[* .+ **1*- . *]" 1
1348 1 48 VAL CB 1 53 ILE H 6.260 . 6.760 5.952 4.947 6.342 . 0 0 "[ . 1 . 2]" 1
1349 1 48 VAL CB 1 53 ILE HA 6.450 . 6.950 5.951 5.465 6.307 . 0 0 "[ . 1 . 2]" 1
1350 1 48 VAL CB 1 53 ILE QG 5.430 . 5.930 3.365 2.947 3.686 . 0 0 "[ . 1 . 2]" 1
1351 1 48 VAL CB 1 53 ILE MG 6.450 . 6.760 5.437 5.036 5.736 . 0 0 "[ . 1 . 2]" 1
1352 1 48 VAL H 1 48 VAL HB 3.620 . 4.120 2.796 2.406 3.155 . 0 0 "[ . 1 . 2]" 1
1353 1 48 VAL H 1 49 LEU H 4.340 . 4.840 4.337 4.142 4.477 . 0 0 "[ . 1 . 2]" 1
1354 1 48 VAL HA 1 49 LEU H 2.910 . 3.410 2.349 2.181 2.535 . 0 0 "[ . 1 . 2]" 1
1355 1 48 VAL HA 1 49 LEU HA 4.540 . 5.040 4.460 4.321 4.583 . 0 0 "[ . 1 . 2]" 1
1356 1 48 VAL HA 1 52 ASN QB 5.630 . 6.130 4.343 3.943 4.636 . 0 0 "[ . 1 . 2]" 1
1357 1 48 VAL HB 1 49 LEU H 4.260 . 4.760 3.984 3.652 4.197 . 0 0 "[ . 1 . 2]" 1
1358 1 48 VAL HB 1 52 ASN HB2 5.500 . 6.000 4.652 3.714 4.972 . 0 0 "[ . 1 . 2]" 1
1359 1 48 VAL HB 1 52 ASN QB 5.280 . 5.780 4.341 3.506 4.599 . 0 0 "[ . 1 . 2]" 1
1360 1 48 VAL HB 1 52 ASN HB3 5.500 . 6.000 5.212 4.305 5.626 . 0 0 "[ . 1 . 2]" 1
1361 1 48 VAL HB 1 53 ILE MD 4.940 . 5.440 2.700 2.234 3.197 . 0 0 "[ . 1 . 2]" 1
1362 1 48 VAL QG 1 49 LEU CD1 4.540 . 5.040 5.744 5.541 6.002 0.962 19 20 [*****-************+*] 1
1363 1 48 VAL QG 1 49 LEU HG 2.910 . 3.410 5.430 5.217 5.661 2.251 12 20 [***********+-*******] 1
1364 1 48 VAL QG 1 52 ASN QD 5.500 . 5.780 3.795 3.074 4.854 . 0 0 "[ . 1 . 2]" 1
1365 1 48 VAL QG 1 53 ILE C 4.940 . 5.440 3.083 2.767 3.554 . 0 0 "[ . 1 . 2]" 1
1366 1 49 LEU CD1 1 50 LEU CD1 4.400 . 4.900 6.350 4.739 7.247 2.347 4 17 "[***+********* - ***]" 1
1367 1 49 LEU CD1 1 50 LEU HG 2.990 . 3.490 5.612 4.164 6.428 2.938 11 20 [**********+****-****] 1
1368 1 49 LEU CG 1 50 LEU H 5.670 . 6.170 3.433 3.066 3.784 . 0 0 "[ . 1 . 2]" 1
1369 1 49 LEU CG 1 50 LEU HG 5.750 . 6.250 5.582 4.909 5.820 . 0 0 "[ . 1 . 2]" 1
1370 1 49 LEU CG 1 51 SER H 6.180 . 6.680 3.644 3.210 4.265 . 0 0 "[ . 1 . 2]" 1
1371 1 49 LEU CG 1 51 SER HA 6.910 . 7.410 6.174 5.739 6.802 . 0 0 "[ . 1 . 2]" 1
1372 1 49 LEU CG 1 51 SER QB 6.980 . 7.370 4.219 3.419 5.509 . 0 0 "[ . 1 . 2]" 1
1373 1 49 LEU CG 1 52 ASN H 6.310 . 6.810 4.580 4.096 4.883 . 0 0 "[ . 1 . 2]" 1
1374 1 49 LEU H 1 49 LEU QB 3.240 . 3.740 2.133 2.053 2.256 . 0 0 "[ . 1 . 2]" 1
1375 1 49 LEU H 1 50 LEU H 4.770 . 5.270 4.687 4.592 4.780 . 0 0 "[ . 1 . 2]" 1
1376 1 49 LEU H 1 52 ASN H 5.290 . 5.790 4.699 4.311 5.104 . 0 0 "[ . 1 . 2]" 1
1377 1 49 LEU H 1 52 ASN HB2 4.730 . 5.230 2.925 2.529 3.320 . 0 0 "[ . 1 . 2]" 1
1378 1 49 LEU H 1 52 ASN QB 4.370 . 4.870 2.859 2.492 3.243 . 0 0 "[ . 1 . 2]" 1
1379 1 49 LEU H 1 52 ASN HB3 4.730 . 5.230 4.036 3.671 4.551 . 0 0 "[ . 1 . 2]" 1
1380 1 49 LEU HA 1 50 LEU H 2.990 . 3.490 2.254 2.111 2.420 . 0 0 "[ . 1 . 2]" 1
1381 1 49 LEU HA 1 50 LEU HA 4.400 . 4.900 4.397 4.251 4.494 . 0 0 "[ . 1 . 2]" 1
1382 1 49 LEU QB 1 50 LEU HA 6.140 . 6.640 4.851 4.658 5.145 . 0 0 "[ . 1 . 2]" 1
1383 1 49 LEU QB 1 50 LEU QD 5.750 . 6.250 5.148 4.805 5.371 . 0 0 "[ . 1 . 2]" 1
1384 1 49 LEU QB 1 50 LEU HG 5.670 . 6.170 5.443 4.930 5.690 . 0 0 "[ . 1 . 2]" 1
1385 1 49 LEU QB 1 51 SER C 6.980 . 7.480 3.910 3.508 4.649 . 0 0 "[ . 1 . 2]" 1
1386 1 49 LEU QB 1 51 SER C 6.870 . 7.370 3.674 2.729 4.537 . 0 0 "[ . 1 . 2]" 1
1387 1 49 LEU QB 1 51 SER QB 5.560 . 6.060 3.781 3.017 4.436 . 0 0 "[ . 1 . 2]" 1
1388 1 49 LEU QB 1 51 SER HG 6.980 . 7.480 4.939 2.782 6.323 . 0 0 "[ . 1 . 2]" 1
1389 1 49 LEU QB 1 51 SER OG 6.910 . 7.410 4.576 2.624 5.680 . 0 0 "[ . 1 . 2]" 1
1390 1 49 LEU QB 1 52 ASN H 3.720 . 4.220 2.883 2.517 3.402 . 0 0 "[ . 1 . 2]" 1
1391 1 49 LEU QB 1 52 ASN QB 5.760 . 6.260 2.259 2.054 2.539 . 0 0 "[ . 1 . 2]" 1
1392 1 49 LEU QB 1 52 ASN OD1 6.310 . 6.810 2.980 2.305 3.554 . 0 0 "[ . 1 . 2]" 1
1393 1 49 LEU QB 1 53 ILE H 5.740 . 6.240 4.728 4.217 5.175 . 0 0 "[ . 1 . 2]" 1
1394 1 49 LEU QD 1 50 LEU CD1 6.140 . 6.640 4.876 3.500 5.683 . 0 0 "[ . 1 . 2]" 1
1395 1 49 LEU QD 1 51 SER C 5.560 . 6.060 3.109 2.199 4.394 . 0 0 "[ . 1 . 2]" 1
1396 1 49 LEU QD 1 51 SER QB 3.540 . 4.040 2.664 1.938 3.960 . 0 0 "[ . 1 . 2]" 1
1397 1 49 LEU QD 1 52 ASN QD 5.760 . 5.980 3.218 2.496 4.617 . 0 0 "[ . 1 . 2]" 1
1398 1 49 LEU QD 1 52 ASN OD1 3.720 . 4.220 3.525 2.489 4.883 0.663 7 1 "[ . + 1 . 2]" 1
1399 1 49 LEU QD 1 53 ILE MG 5.740 . 6.240 6.982 6.659 7.266 1.026 10 18 "[*********+* **.*-***]" 1
1400 1 49 LEU HG 1 50 LEU HG 4.770 . 5.270 5.399 4.227 6.803 1.533 12 7 "[ . * 1 +***-* 2]" 1
1401 1 49 LEU HG 1 51 SER H 3.540 . 4.040 3.268 2.294 3.833 . 0 0 "[ . 1 . 2]" 1
1402 1 49 LEU HG 1 51 SER QB 5.990 . 6.490 3.873 3.146 5.113 . 0 0 "[ . 1 . 2]" 1
1403 1 49 LEU HG 1 52 ASN QB 5.480 . 5.980 4.522 4.100 4.994 . 0 0 "[ . 1 . 2]" 1
1404 1 49 LEU HG 1 52 ASN QD 4.730 . 4.870 4.481 3.261 5.346 0.476 3 0 "[ . 1 . 2]" 1
1405 1 49 LEU HG 1 52 ASN OD1 5.290 . 5.790 4.886 3.427 5.918 0.128 11 0 "[ . 1 . 2]" 1
1406 1 50 LEU CD1 1 52 ASN OD1 4.100 . 4.600 9.965 9.218 11.073 6.473 7 20 [******+***********-*] 1
1407 1 50 LEU CD1 1 53 ILE C 4.020 . 4.520 5.596 5.315 5.902 1.382 16 20 [***************+-***] 1
1408 1 50 LEU CD1 1 53 ILE CD1 5.820 . 6.320 5.477 5.192 5.794 . 0 0 "[ . 1 . 2]" 1
1409 1 50 LEU CD1 1 53 ILE CG1 4.280 . 4.780 8.094 7.805 8.594 3.814 16 20 [*********-*****+****] 1
1410 1 50 LEU CD1 1 53 ILE QG 4.610 . 5.110 7.301 6.863 7.849 2.739 16 20 [*********-*****+****] 1
1411 1 50 LEU CD1 1 53 ILE MG 4.450 . 4.950 8.242 8.068 8.553 3.603 16 20 [**************-+****] 1
1412 1 50 LEU CG 1 53 ILE MD 5.680 . 6.180 4.396 4.111 4.709 . 0 0 "[ . 1 . 2]" 1
1413 1 50 LEU H 1 50 LEU QB 3.430 . 3.930 2.418 2.194 2.711 . 0 0 "[ . 1 . 2]" 1
1414 1 50 LEU H 1 50 LEU HG 3.470 . 3.970 2.250 1.816 2.513 . 0 0 "[ . 1 . 2]" 1
1415 1 50 LEU H 1 51 SER H 3.860 . 4.360 2.836 2.577 3.159 . 0 0 "[ . 1 . 2]" 1
1416 1 50 LEU H 1 52 ASN H 4.430 . 4.930 4.141 3.740 4.330 . 0 0 "[ . 1 . 2]" 1
1417 1 50 LEU HA 1 50 LEU HG 3.520 . 4.020 2.796 2.596 3.127 . 0 0 "[ . 1 . 2]" 1
1418 1 50 LEU HA 1 52 ASN H 4.100 . 4.600 3.692 3.483 3.918 . 0 0 "[ . 1 . 2]" 1
1419 1 50 LEU HA 1 53 ILE H 4.450 . 4.950 3.884 3.377 4.290 . 0 0 "[ . 1 . 2]" 1
1420 1 50 LEU HA 1 53 ILE HB 4.280 . 4.780 3.797 3.630 3.976 . 0 0 "[ . 1 . 2]" 1
1421 1 50 LEU HA 1 53 ILE MD 4.020 . 4.520 2.370 2.096 2.601 . 0 0 "[ . 1 . 2]" 1
1422 1 50 LEU HA 1 53 ILE QG 4.610 . 5.110 3.492 2.944 4.026 . 0 0 "[ . 1 . 2]" 1
1423 1 50 LEU HA 1 53 ILE MG 5.820 . 6.320 4.952 4.841 5.055 . 0 0 "[ . 1 . 2]" 1
1424 1 50 LEU QB 1 51 SER H 3.850 . 4.350 2.533 2.145 2.776 . 0 0 "[ . 1 . 2]" 1
1425 1 50 LEU QB 1 51 SER HA 4.470 . 4.970 4.020 3.887 4.114 . 0 0 "[ . 1 . 2]" 1
1426 1 50 LEU QB 1 51 SER QB 6.730 . 7.230 4.269 3.737 4.607 . 0 0 "[ . 1 . 2]" 1
1427 1 50 LEU QB 1 53 ILE C 5.680 . 6.180 4.010 3.825 4.157 . 0 0 "[ . 1 . 2]" 1
1428 1 50 LEU QB 1 53 ILE H 6.170 . 6.670 5.006 4.814 5.257 . 0 0 "[ . 1 . 2]" 1
1429 1 50 LEU QB 1 53 ILE HB 5.990 . 6.490 5.158 4.950 5.315 . 0 0 "[ . 1 . 2]" 1
1430 1 50 LEU QB 1 53 ILE MD 5.550 . 6.050 4.119 3.909 4.279 . 0 0 "[ . 1 . 2]" 1
1431 1 50 LEU QD 1 51 SER C 6.730 . 7.230 5.033 4.259 5.512 . 0 0 "[ . 1 . 2]" 1
1432 1 50 LEU QD 1 51 SER QB 3.850 . 4.350 5.257 4.770 5.534 1.184 13 18 "[* -** ******+*******]" 1
1433 1 50 LEU QD 1 51 SER OG 4.470 . 4.970 5.248 4.729 6.447 1.477 6 4 "[ .+* -1 . * 2]" 1
1434 1 50 LEU QD 1 53 ILE C 5.550 . 6.050 3.041 2.746 3.396 . 0 0 "[ . 1 . 2]" 1
1435 1 50 LEU QD 1 53 ILE CG1 5.990 . 6.490 5.013 4.718 5.432 . 0 0 "[ . 1 . 2]" 1
1436 1 50 LEU QD 1 53 ILE MG 6.170 . 6.670 5.092 4.876 5.427 . 0 0 "[ . 1 . 2]" 1
1437 1 50 LEU HG 1 51 SER H 4.480 . 4.980 4.486 4.251 4.623 . 0 0 "[ . 1 . 2]" 1
1438 1 50 LEU HG 1 51 SER QB 3.860 . 4.360 6.534 5.971 6.815 2.455 13 20 [*****-******+*******] 1
1439 1 50 LEU HG 1 52 ASN OD1 4.430 . 4.930 8.732 8.056 9.430 4.500 7 20 [******+***********-*] 1
1440 1 51 SER C 1 52 ASN ND2 5.790 . 6.290 4.224 3.043 5.243 . 0 0 "[ . 1 . 2]" 1
1441 1 51 SER C 1 53 ILE MG 5.990 . 6.490 6.125 5.826 6.311 . 0 0 "[ . 1 . 2]" 1
1442 1 51 SER H 1 52 ASN H 3.460 . 3.960 2.766 2.505 3.064 . 0 0 "[ . 1 . 2]" 1
1443 1 51 SER H 1 53 ILE H 4.510 . 5.010 4.377 4.179 4.552 . 0 0 "[ . 1 . 2]" 1
1444 1 51 SER HA 1 53 ILE H 4.340 . 4.840 3.812 3.452 4.364 . 0 0 "[ . 1 . 2]" 1
1445 1 51 SER QB 1 52 ASN HA 5.790 . 6.290 4.427 4.078 4.710 . 0 0 "[ . 1 . 2]" 1
1446 1 51 SER QB 1 52 ASN OD1 3.460 . 3.960 4.287 2.989 6.107 2.147 7 8 "[ ** * + * - * * 2]" 1
1447 1 51 SER QB 1 53 ILE H 5.990 . 6.490 4.885 4.549 5.265 . 0 0 "[ . 1 . 2]" 1
1448 1 51 SER QB 1 53 ILE MG 4.510 . 5.010 7.362 7.119 7.566 2.556 7 20 [******+******-******] 1
1449 1 51 SER OG 1 53 ILE MG 4.340 . 4.840 8.390 8.102 8.609 3.769 4 20 [***+************-***] 1
1450 1 52 ASN H 1 52 ASN HB2 3.630 . 4.130 2.459 2.188 2.665 . 0 0 "[ . 1 . 2]" 1
1451 1 52 ASN H 1 52 ASN QB 3.380 . 3.880 2.421 2.167 2.609 . 0 0 "[ . 1 . 2]" 1
1452 1 52 ASN H 1 52 ASN HB3 3.630 . 4.130 3.630 3.475 3.717 . 0 0 "[ . 1 . 2]" 1
1453 1 52 ASN H 1 53 ILE H 3.120 . 3.620 2.124 1.872 2.357 . 0 0 "[ . 1 . 2]" 1
1454 1 52 ASN H 1 53 ILE HB 5.310 . 5.810 4.467 4.124 4.916 . 0 0 "[ . 1 . 2]" 1
1455 1 52 ASN H 1 53 ILE MD 6.170 . 6.670 4.268 4.012 4.754 . 0 0 "[ . 1 . 2]" 1
1456 1 52 ASN H 1 53 ILE QG 5.960 . 6.460 3.422 2.955 3.950 . 0 0 "[ . 1 . 2]" 1
1457 1 52 ASN HA 1 53 ILE H 3.510 . 4.010 3.281 3.034 3.567 . 0 0 "[ . 1 . 2]" 1
1458 1 52 ASN HB2 1 53 ILE H 4.090 . 4.590 3.647 2.997 3.946 . 0 0 "[ . 1 . 2]" 1
1459 1 52 ASN HB3 1 53 ILE H 4.090 . 4.590 4.205 3.879 4.366 . 0 0 "[ . 1 . 2]" 1
1460 1 52 ASN QD 1 53 ILE MG 4.090 . 4.590 7.274 6.913 7.536 2.946 14 20 [*-***********+******] 1
1461 1 52 ASN ND2 1 53 ILE MG 3.510 . 4.010 7.997 7.733 8.202 4.192 11 20 [*********-+*********] 1
1462 1 52 ASN OD1 1 53 ILE C 6.170 . 6.670 6.184 5.753 6.638 . 0 0 "[ . 1 . 2]" 1
1463 1 52 ASN OD1 1 53 ILE CG1 5.310 . 5.810 7.407 7.097 7.747 1.937 5 20 [****+***********-***] 1
1464 1 52 ASN OD1 1 53 ILE QG 5.960 . 6.460 6.108 5.829 6.478 0.018 20 0 "[ . 1 . 2]" 1
1465 1 52 ASN OD1 1 53 ILE MG 3.120 . 3.620 7.911 7.613 8.273 4.653 13 20 [************+***-***] 1
1466 1 53 ILE CD1 1 54 LYS QG 3.950 . 4.450 6.559 5.937 7.376 2.926 14 20 [*************+*****-] 1
1467 1 53 ILE CG1 1 54 LYS QG 4.180 . 4.680 6.923 6.043 8.113 3.433 2 20 [*+*****************-] 1
1468 1 53 ILE H 1 53 ILE HB 3.650 . 4.150 2.740 2.584 2.903 . 0 0 "[ . 1 . 2]" 1
1469 1 53 ILE H 1 53 ILE MD 4.650 . 5.150 3.595 3.143 3.920 . 0 0 "[ . 1 . 2]" 1
1470 1 53 ILE H 1 53 ILE QG 4.520 . 5.020 2.561 2.019 3.038 . 0 0 "[ . 1 . 2]" 1
1471 1 53 ILE H 1 53 ILE MG 4.560 . 5.060 3.884 3.738 3.985 . 0 0 "[ . 1 . 2]" 1
1472 1 53 ILE H 1 54 LYS H 4.510 . 5.010 4.249 3.998 4.554 . 0 0 "[ . 1 . 2]" 1
1473 1 53 ILE HA 1 54 LYS H 2.990 . 3.490 2.087 1.971 2.216 . 0 0 "[ . 1 . 2]" 1
1474 1 53 ILE HB 1 54 LYS H 4.180 . 4.680 4.105 3.932 4.241 . 0 0 "[ . 1 . 2]" 1
1475 1 53 ILE QG 1 54 LYS H 5.660 . 6.160 4.437 4.301 4.572 . 0 0 "[ . 1 . 2]" 1
1476 1 53 ILE QG 1 54 LYS QG 5.660 . 6.160 6.260 5.412 7.433 1.273 2 5 "[ + - * 1 ** 2]" 1
1477 1 53 ILE MG 1 54 LYS H 3.950 . 4.450 2.823 2.560 3.077 . 0 0 "[ . 1 . 2]" 1
1478 1 53 ILE MG 1 54 LYS QG . . 3.490 4.878 4.116 5.468 1.978 8 20 [*******+***-********] 1
1479 1 55 PRO CB 1 56 ILE CG1 4.540 . 5.040 6.488 6.121 6.711 1.671 19 20 [-*****************+*] 1
1480 1 55 PRO CB 1 56 ILE MG . . 3.250 5.532 5.064 5.856 2.606 1 20 [+*********-*********] 1
1481 1 55 PRO HA 1 56 ILE H 2.750 . 3.250 2.327 2.162 2.477 . 0 0 "[ . 1 . 2]" 1
1482 1 55 PRO HA 1 56 ILE HA 4.530 . 5.030 4.441 4.248 4.563 . 0 0 "[ . 1 . 2]" 1
1483 1 55 PRO HA 1 56 ILE HB 4.540 . 5.040 4.125 3.860 4.288 . 0 0 "[ . 1 . 2]" 1
1484 1 55 PRO QB 1 56 ILE H 3.930 . 3.960 2.632 2.385 3.085 . 0 0 "[ . 1 . 2]" 1
1485 1 55 PRO QB 1 56 ILE HA 4.620 . 5.120 4.380 4.229 4.568 . 0 0 "[ . 1 . 2]" 1
1486 1 55 PRO QB 1 56 ILE QG 6.170 . 6.670 5.180 4.740 5.388 . 0 0 "[ . 1 . 2]" 1
1487 1 55 PRO QB 1 56 ILE MG 3.930 . 3.960 4.669 4.192 5.008 1.048 4 17 "[***+***-** **** ** *]" 1
1488 1 55 PRO QB 1 57 LEU H 4.520 . 5.020 2.563 2.079 3.193 . 0 0 "[ . 1 . 2]" 1
1489 1 55 PRO QB 1 57 LEU QB 6.170 . 6.670 4.673 3.803 5.236 . 0 0 "[ . 1 . 2]" 1
1490 1 55 PRO QB 1 57 LEU QD 6.170 . 6.670 4.499 2.749 5.683 . 0 0 "[ . 1 . 2]" 1
1491 1 55 PRO QB 1 57 LEU HG 4.520 . 5.020 5.884 4.057 6.999 1.979 6 14 "[ ***+ **-* **.*** *]" 1
1492 1 56 ILE CD1 1 57 LEU CD1 4.920 . 5.420 7.073 5.735 8.260 2.840 20 19 "[**************** -*+]" 1
1493 1 56 ILE CD1 1 57 LEU QD 4.910 . 5.410 5.055 4.283 5.981 0.571 3 1 "[ + . 1 . 2]" 1
1494 1 56 ILE CD1 1 57 LEU HG 4.600 . 5.100 6.893 4.991 7.665 2.565 8 18 "[ ******+*** ******-*]" 1
1495 1 56 ILE CG1 1 57 LEU HG 4.000 . 4.500 7.805 5.500 8.565 4.065 18 20 [-****************+**] 1
1496 1 56 ILE H 1 56 ILE HB 3.040 . 3.540 2.157 1.919 2.361 . 0 0 "[ . 1 . 2]" 1
1497 1 56 ILE H 1 56 ILE MD 5.380 . 5.880 4.234 3.896 4.522 . 0 0 "[ . 1 . 2]" 1
1498 1 56 ILE H 1 56 ILE QG 4.110 . 4.610 3.373 2.678 3.759 . 0 0 "[ . 1 . 2]" 1
1499 1 56 ILE H 1 56 ILE MG 4.180 . 4.680 3.244 2.808 3.569 . 0 0 "[ . 1 . 2]" 1
1500 1 56 ILE H 1 57 LEU H 4.270 . 4.770 2.412 2.144 2.888 . 0 0 "[ . 1 . 2]" 1
1501 1 56 ILE HA 1 56 ILE MD 4.530 . 5.030 3.500 2.222 3.811 . 0 0 "[ . 1 . 2]" 1
1502 1 56 ILE HA 1 57 LEU H 3.540 . 4.040 3.495 3.324 3.598 . 0 0 "[ . 1 . 2]" 1
1503 1 56 ILE HA 1 57 LEU HA 4.670 . 5.170 4.591 4.416 4.700 . 0 0 "[ . 1 . 2]" 1
1504 1 56 ILE HA 1 57 LEU QB 5.630 . 6.130 4.713 4.416 4.923 . 0 0 "[ . 1 . 2]" 1
1505 1 56 ILE HB 1 57 LEU H 4.000 . 4.500 3.494 2.853 3.942 . 0 0 "[ . 1 . 2]" 1
1506 1 56 ILE MD 1 56 ILE MG 3.710 . 4.210 2.098 1.956 2.215 . 0 0 "[ . 1 . 2]" 1
1507 1 56 ILE QG 1 57 LEU H 6.090 . 6.590 4.548 4.384 4.821 . 0 0 "[ . 1 . 2]" 1
1508 1 56 ILE QG 1 57 LEU QB 6.660 . 7.160 5.075 4.639 5.324 . 0 0 "[ . 1 . 2]" 1
1509 1 56 ILE QG 1 57 LEU QD 6.660 . 7.160 5.341 4.644 6.040 . 0 0 "[ . 1 . 2]" 1
1510 1 56 ILE QG 1 57 LEU HG 6.090 . 6.590 7.234 5.175 8.165 1.575 18 14 "[ **** ***** -** + *]" 1
1511 1 56 ILE MG 1 57 LEU CD1 4.670 . 5.170 4.707 3.284 5.824 0.654 20 1 "[ . 1 . +]" 1
1512 1 56 ILE MG 1 57 LEU H 4.600 . 5.100 2.949 2.457 3.704 . 0 0 "[ . 1 . 2]" 1
1513 1 56 ILE MG 1 57 LEU HA 4.920 . 5.420 3.965 3.656 4.103 . 0 0 "[ . 1 . 2]" 1
1514 1 56 ILE MG 1 57 LEU QB 4.910 . 5.410 2.563 2.235 2.982 . 0 0 "[ . 1 . 2]" 1
1515 1 56 ILE MG 1 57 LEU QD 5.630 . 6.130 3.218 2.303 4.081 . 0 0 "[ . 1 . 2]" 1
1516 1 56 ILE MG 1 57 LEU HG 3.540 . 4.040 4.423 2.055 5.170 1.130 8 13 "[ *-** *+*** ** * *]" 1
1517 1 57 LEU H 1 57 LEU QB 3.680 . 4.180 2.796 2.315 3.259 . 0 0 "[ . 1 . 2]" 1
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