NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
542395 |
2lgy   |
17828 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lgy
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 1163
_Distance_constraint_stats_list.Viol_count 1789
_Distance_constraint_stats_list.Viol_total 2999.489
_Distance_constraint_stats_list.Viol_max 0.478
_Distance_constraint_stats_list.Viol_rms 0.0288
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0064
_Distance_constraint_stats_list.Viol_average_violations_only 0.0838
_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 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 GLN 1.422 0.291 20 0 "[ . 1 . 2]"
1 5 ASP 4.078 0.291 20 0 "[ . 1 . 2]"
1 6 ILE 7.863 0.269 6 0 "[ . 1 . 2]"
1 7 ARG 4.947 0.228 8 0 "[ . 1 . 2]"
1 8 LEU 3.040 0.206 14 0 "[ . 1 . 2]"
1 9 TRP 6.194 0.237 2 0 "[ . 1 . 2]"
1 10 VAL 2.108 0.206 14 0 "[ . 1 . 2]"
1 11 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 VAL 0.776 0.185 6 0 "[ . 1 . 2]"
1 13 GLU 0.230 0.061 9 0 "[ . 1 . 2]"
1 14 ASP 2.619 0.229 14 0 "[ . 1 . 2]"
1 15 ALA 4.494 0.234 17 0 "[ . 1 . 2]"
1 16 GLN 1.453 0.234 17 0 "[ . 1 . 2]"
1 17 MET 0.364 0.138 1 0 "[ . 1 . 2]"
1 19 THR 0.038 0.038 6 0 "[ . 1 . 2]"
1 20 VAL 0.372 0.175 15 0 "[ . 1 . 2]"
1 21 THR 1.194 0.250 7 0 "[ . 1 . 2]"
1 22 ILE 2.260 0.123 7 0 "[ . 1 . 2]"
1 23 TRP 2.422 0.250 7 0 "[ . 1 . 2]"
1 24 LEU 5.082 0.314 4 0 "[ . 1 . 2]"
1 25 THR 1.103 0.198 13 0 "[ . 1 . 2]"
1 26 VAL 2.773 0.189 14 0 "[ . 1 . 2]"
1 27 ARG 3.341 0.217 14 0 "[ . 1 . 2]"
1 28 PRO 3.548 0.168 5 0 "[ . 1 . 2]"
1 29 ASP 6.582 0.219 19 0 "[ . 1 . 2]"
1 30 MET 10.984 0.337 9 0 "[ . 1 . 2]"
1 31 THR 9.450 0.337 9 0 "[ . 1 . 2]"
1 32 VAL 3.185 0.223 3 0 "[ . 1 . 2]"
1 33 ALA 1.553 0.192 15 0 "[ . 1 . 2]"
1 34 SER 1.825 0.191 12 0 "[ . 1 . 2]"
1 35 LEU 8.832 0.385 6 0 "[ . 1 . 2]"
1 36 LYS 5.689 0.408 1 0 "[ . 1 . 2]"
1 37 ASP 0.742 0.201 12 0 "[ . 1 . 2]"
1 38 MET 18.598 0.478 10 0 "[ . 1 . 2]"
1 39 VAL 5.433 0.478 10 0 "[ . 1 . 2]"
1 40 PHE 9.049 0.251 14 0 "[ . 1 . 2]"
1 41 LEU 14.774 0.456 2 0 "[ . 1 . 2]"
1 42 ASP 7.470 0.269 16 0 "[ . 1 . 2]"
1 43 TYR 1.606 0.181 8 0 "[ . 1 . 2]"
1 44 GLY 2.571 0.160 15 0 "[ . 1 . 2]"
1 45 PHE 2.429 0.155 16 0 "[ . 1 . 2]"
1 46 PRO 1.989 0.284 2 0 "[ . 1 . 2]"
1 47 PRO 4.043 0.231 14 0 "[ . 1 . 2]"
1 48 VAL 6.149 0.220 9 0 "[ . 1 . 2]"
1 49 LEU 10.191 0.245 8 0 "[ . 1 . 2]"
1 50 GLN 0.871 0.161 8 0 "[ . 1 . 2]"
1 51 GLN 0.097 0.084 9 0 "[ . 1 . 2]"
1 52 TRP 3.390 0.231 17 0 "[ . 1 . 2]"
1 53 VAL 0.538 0.152 16 0 "[ . 1 . 2]"
1 54 ILE 2.043 0.207 13 0 "[ . 1 . 2]"
1 55 GLY 0.096 0.096 10 0 "[ . 1 . 2]"
1 56 GLN 2.226 0.199 8 0 "[ . 1 . 2]"
1 57 ARG 1.144 0.189 10 0 "[ . 1 . 2]"
1 58 LEU 1.375 0.164 1 0 "[ . 1 . 2]"
1 59 ALA 1.196 0.174 2 0 "[ . 1 . 2]"
1 60 ARG 1.999 0.243 12 0 "[ . 1 . 2]"
1 61 ASP 2.458 0.213 2 0 "[ . 1 . 2]"
1 62 GLN 2.190 0.252 12 0 "[ . 1 . 2]"
1 63 GLU 1.448 0.243 12 0 "[ . 1 . 2]"
1 64 THR 2.898 0.219 19 0 "[ . 1 . 2]"
1 65 LEU 4.592 0.256 19 0 "[ . 1 . 2]"
1 66 HIS 1.242 0.144 16 0 "[ . 1 . 2]"
1 67 SER 0.872 0.144 16 0 "[ . 1 . 2]"
1 68 HIS 2.261 0.299 12 0 "[ . 1 . 2]"
1 69 GLY 0.240 0.092 19 0 "[ . 1 . 2]"
1 70 VAL 3.284 0.299 12 0 "[ . 1 . 2]"
1 71 ARG 1.894 0.168 5 0 "[ . 1 . 2]"
1 72 GLN 4.406 0.269 18 0 "[ . 1 . 2]"
1 73 ASN 4.365 0.227 11 0 "[ . 1 . 2]"
1 74 GLY 3.310 0.228 8 0 "[ . 1 . 2]"
1 75 ASP 3.217 0.174 7 0 "[ . 1 . 2]"
1 76 SER 6.138 0.237 2 0 "[ . 1 . 2]"
1 77 ALA 1.323 0.207 13 0 "[ . 1 . 2]"
1 78 TYR 0.631 0.152 16 0 "[ . 1 . 2]"
1 79 LEU 1.213 0.113 9 0 "[ . 1 . 2]"
1 80 TYR 0.547 0.295 19 0 "[ . 1 . 2]"
1 81 LEU 3.750 0.285 15 0 "[ . 1 . 2]"
1 82 LEU 5.949 0.295 19 0 "[ . 1 . 2]"
1 83 SER 2.967 0.264 11 0 "[ . 1 . 2]"
1 84 ALA 4.796 0.284 2 0 "[ . 1 . 2]"
1 85 ARG 3.720 0.245 8 0 "[ . 1 . 2]"
1 86 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 87 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 88 SER 0.612 0.218 6 0 "[ . 1 . 2]"
1 89 LEU 1.878 0.326 14 0 "[ . 1 . 2]"
1 90 ASN 2.801 0.246 13 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 3 THR HA 1 3 THR MG 2.980 . 2.980 2.238 2.076 2.619 . 0 0 "[ . 1 . 2]" 1
2 1 3 THR HB 1 4 GLN H 4.370 . 4.370 3.536 2.557 4.335 . 0 0 "[ . 1 . 2]" 1
3 1 4 GLN H 1 5 ASP H 4.600 . 4.600 4.459 4.264 4.583 . 0 0 "[ . 1 . 2]" 1
4 1 4 GLN HA 1 4 GLN QG 3.670 . 3.670 2.554 2.284 3.331 . 0 0 "[ . 1 . 2]" 1
5 1 4 GLN HA 1 5 ASP H 2.730 . 2.730 2.260 2.004 2.632 . 0 0 "[ . 1 . 2]" 1
6 1 4 GLN QB 1 4 GLN QG 2.380 . 2.380 2.087 2.015 2.131 . 0 0 "[ . 1 . 2]" 1
7 1 4 GLN HB2 1 5 ASP H 3.800 . 3.800 3.568 2.027 4.091 0.291 20 0 "[ . 1 . 2]" 1
8 1 4 GLN HB3 1 5 ASP H 3.600 . 3.600 2.738 1.925 3.612 0.012 3 0 "[ . 1 . 2]" 1
9 1 5 ASP H 1 5 ASP HB2 2.760 . 2.760 2.359 2.164 2.590 . 0 0 "[ . 1 . 2]" 1
10 1 5 ASP H 1 6 ILE H 4.500 . 4.500 4.472 4.329 4.565 0.065 3 0 "[ . 1 . 2]" 1
11 1 5 ASP H 1 6 ILE MG 5.030 . 5.030 4.827 4.140 5.110 0.080 16 0 "[ . 1 . 2]" 1
12 1 5 ASP H 1 25 THR MG 4.360 . 4.360 4.084 3.493 4.558 0.198 13 0 "[ . 1 . 2]" 1
13 1 5 ASP HA 1 27 ARG HB3 4.290 . 4.290 3.215 2.642 4.125 . 0 0 "[ . 1 . 2]" 1
14 1 5 ASP HB2 1 25 THR HB 5.170 . 5.170 4.480 3.913 4.932 . 0 0 "[ . 1 . 2]" 1
15 1 5 ASP HB2 1 25 THR MG 2.920 . 2.920 2.354 1.984 2.723 . 0 0 "[ . 1 . 2]" 1
16 1 5 ASP HB3 1 6 ILE H 3.520 . 3.520 2.099 1.772 2.539 . 0 0 "[ . 1 . 2]" 1
17 1 5 ASP HB3 1 6 ILE MG 4.240 . 4.240 4.316 4.023 4.509 0.269 6 0 "[ . 1 . 2]" 1
18 1 5 ASP HB3 1 25 THR MG 4.460 . 4.460 2.432 1.882 3.105 . 0 0 "[ . 1 . 2]" 1
19 1 6 ILE H 1 6 ILE HB 3.770 . 3.770 3.797 3.770 3.829 0.059 2 0 "[ . 1 . 2]" 1
20 1 6 ILE H 1 6 ILE MD 4.140 . 4.140 3.928 3.865 4.021 . 0 0 "[ . 1 . 2]" 1
21 1 6 ILE H 1 6 ILE HG12 4.920 . 4.920 2.333 2.240 2.491 . 0 0 "[ . 1 . 2]" 1
22 1 6 ILE H 1 6 ILE HG13 3.850 . 3.850 2.928 2.858 2.977 . 0 0 "[ . 1 . 2]" 1
23 1 6 ILE H 1 6 ILE MG 3.220 . 3.220 2.743 2.676 2.873 . 0 0 "[ . 1 . 2]" 1
24 1 6 ILE H 1 7 ARG H 4.520 . 4.520 4.406 4.358 4.453 . 0 0 "[ . 1 . 2]" 1
25 1 6 ILE H 1 27 ARG H 4.880 . 4.880 4.395 4.102 4.631 . 0 0 "[ . 1 . 2]" 1
26 1 6 ILE H 1 27 ARG HB3 4.580 . 4.580 4.386 3.744 4.605 0.025 20 0 "[ . 1 . 2]" 1
27 1 6 ILE H 1 27 ARG QD 5.340 . 5.340 5.091 4.318 5.498 0.158 10 0 "[ . 1 . 2]" 1
28 1 6 ILE H 1 28 PRO QD 4.200 . 4.200 3.834 3.412 4.123 . 0 0 "[ . 1 . 2]" 1
29 1 6 ILE H 1 73 ASN HB3 5.500 . 5.500 5.296 4.786 5.566 0.066 7 0 "[ . 1 . 2]" 1
30 1 6 ILE HA 1 6 ILE MD 4.310 . 4.310 4.102 4.079 4.146 . 0 0 "[ . 1 . 2]" 1
31 1 6 ILE HA 1 6 ILE HG13 3.880 . 3.880 3.696 3.654 3.720 . 0 0 "[ . 1 . 2]" 1
32 1 6 ILE HA 1 6 ILE MG 3.390 . 3.390 2.422 2.315 2.473 . 0 0 "[ . 1 . 2]" 1
33 1 6 ILE HA 1 7 ARG H 3.470 . 3.470 2.287 2.227 2.422 . 0 0 "[ . 1 . 2]" 1
34 1 6 ILE HA 1 73 ASN HB3 4.420 . 4.420 2.459 1.941 2.831 . 0 0 "[ . 1 . 2]" 1
35 1 6 ILE HB 1 6 ILE MD 3.200 . 3.200 2.320 2.237 2.378 . 0 0 "[ . 1 . 2]" 1
36 1 6 ILE HB 1 7 ARG H 4.370 . 4.370 2.583 2.455 2.700 . 0 0 "[ . 1 . 2]" 1
37 1 6 ILE HB 1 70 VAL QG 4.630 . 4.630 4.008 3.547 4.414 . 0 0 "[ . 1 . 2]" 1
38 1 6 ILE HB 1 73 ASN H 3.890 . 3.890 2.611 2.309 3.068 . 0 0 "[ . 1 . 2]" 1
39 1 6 ILE HB 1 73 ASN HA 4.120 . 4.120 2.281 1.951 2.597 . 0 0 "[ . 1 . 2]" 1
40 1 6 ILE MD 1 6 ILE MG 2.860 . 2.860 1.784 1.726 1.898 . 0 0 "[ . 1 . 2]" 1
41 1 6 ILE MD 1 7 ARG H 4.180 . 4.180 4.229 4.134 4.332 0.152 2 0 "[ . 1 . 2]" 1
42 1 6 ILE MD 1 27 ARG HA 4.220 . 4.220 3.525 2.917 4.042 . 0 0 "[ . 1 . 2]" 1
43 1 6 ILE MD 1 28 PRO HA 4.150 . 4.150 2.880 2.483 3.129 . 0 0 "[ . 1 . 2]" 1
44 1 6 ILE MD 1 28 PRO HB2 4.220 . 4.220 4.218 3.637 4.368 0.148 2 0 "[ . 1 . 2]" 1
45 1 6 ILE MD 1 28 PRO QB 3.630 . 3.630 3.188 2.192 3.516 . 0 0 "[ . 1 . 2]" 1
46 1 6 ILE MD 1 28 PRO HB3 4.220 . 4.220 3.314 2.210 3.707 . 0 0 "[ . 1 . 2]" 1
47 1 6 ILE MD 1 28 PRO QD 3.790 . 3.790 2.402 1.990 2.691 . 0 0 "[ . 1 . 2]" 1
48 1 6 ILE MD 1 28 PRO HG2 4.180 . 4.180 3.409 3.063 4.100 . 0 0 "[ . 1 . 2]" 1
49 1 6 ILE MD 1 28 PRO HG3 3.350 . 3.350 2.079 1.833 2.993 . 0 0 "[ . 1 . 2]" 1
50 1 6 ILE MD 1 29 ASP H 5.500 . 5.500 4.907 4.718 5.213 . 0 0 "[ . 1 . 2]" 1
51 1 6 ILE MD 1 70 VAL QG 2.920 . 2.920 1.834 1.709 2.084 . 0 0 "[ . 1 . 2]" 1
52 1 6 ILE MD 1 71 ARG HA 4.520 . 4.520 3.739 2.974 4.579 0.059 16 0 "[ . 1 . 2]" 1
53 1 6 ILE MD 1 72 GLN H 3.740 . 3.740 3.118 2.496 3.630 . 0 0 "[ . 1 . 2]" 1
54 1 6 ILE MD 1 72 GLN HA 4.750 . 4.750 2.547 1.990 3.404 . 0 0 "[ . 1 . 2]" 1
55 1 6 ILE MD 1 72 GLN QG 4.970 . 4.970 4.281 3.834 4.877 . 0 0 "[ . 1 . 2]" 1
56 1 6 ILE MD 1 73 ASN H 3.930 . 3.930 3.682 3.308 3.994 0.064 11 0 "[ . 1 . 2]" 1
57 1 6 ILE MD 1 73 ASN HA 5.220 . 5.220 3.347 3.061 3.638 . 0 0 "[ . 1 . 2]" 1
58 1 6 ILE MD 1 73 ASN HB2 5.430 . 5.430 5.162 4.790 5.516 0.086 8 0 "[ . 1 . 2]" 1
59 1 6 ILE MD 1 75 ASP H 4.420 . 4.420 4.364 3.946 4.554 0.134 9 0 "[ . 1 . 2]" 1
60 1 6 ILE MD 1 75 ASP QB 4.380 . 4.380 3.604 2.975 4.107 . 0 0 "[ . 1 . 2]" 1
61 1 6 ILE HG12 1 6 ILE MG 3.470 . 3.470 2.286 2.213 2.330 . 0 0 "[ . 1 . 2]" 1
62 1 6 ILE HG12 1 27 ARG HA 4.470 . 4.470 2.318 1.820 2.786 . 0 0 "[ . 1 . 2]" 1
63 1 6 ILE HG12 1 28 PRO HG2 5.060 . 5.060 4.752 4.326 5.126 0.066 8 0 "[ . 1 . 2]" 1
64 1 6 ILE HG12 1 28 PRO HG3 4.300 . 4.300 3.664 3.123 4.347 0.047 8 0 "[ . 1 . 2]" 1
65 1 6 ILE HG13 1 6 ILE MG 3.260 . 3.260 3.187 3.169 3.198 . 0 0 "[ . 1 . 2]" 1
66 1 6 ILE HG13 1 26 VAL H 4.420 . 4.420 3.215 2.957 3.500 . 0 0 "[ . 1 . 2]" 1
67 1 6 ILE HG13 1 26 VAL MG2 3.980 . 3.980 2.872 2.043 3.430 . 0 0 "[ . 1 . 2]" 1
68 1 6 ILE MG 1 7 ARG H 3.940 . 3.940 3.801 3.694 3.918 . 0 0 "[ . 1 . 2]" 1
69 1 6 ILE MG 1 27 ARG HB2 5.410 . 5.410 4.824 4.388 5.163 . 0 0 "[ . 1 . 2]" 1
70 1 6 ILE MG 1 28 PRO QB 4.560 . 4.560 4.455 3.827 4.716 0.156 14 0 "[ . 1 . 2]" 1
71 1 6 ILE MG 1 28 PRO QD 3.950 . 3.950 2.375 2.183 2.584 . 0 0 "[ . 1 . 2]" 1
72 1 6 ILE MG 1 28 PRO HG2 4.630 . 4.630 3.675 3.273 4.667 0.037 3 0 "[ . 1 . 2]" 1
73 1 6 ILE MG 1 28 PRO HG3 3.930 . 3.930 2.983 2.562 3.573 . 0 0 "[ . 1 . 2]" 1
74 1 6 ILE MG 1 72 GLN HA 3.810 . 3.810 2.096 1.771 2.491 . 0 0 "[ . 1 . 2]" 1
75 1 6 ILE MG 1 72 GLN QB 4.820 . 4.820 3.397 2.925 4.069 . 0 0 "[ . 1 . 2]" 1
76 1 6 ILE MG 1 72 GLN QG 5.340 . 5.340 4.220 2.884 4.873 . 0 0 "[ . 1 . 2]" 1
77 1 6 ILE MG 1 73 ASN H 3.410 . 3.410 2.532 2.004 2.985 . 0 0 "[ . 1 . 2]" 1
78 1 6 ILE MG 1 73 ASN HB3 4.340 . 4.340 3.209 2.822 3.517 . 0 0 "[ . 1 . 2]" 1
79 1 7 ARG H 1 7 ARG QB 3.480 . 3.480 2.549 2.386 2.824 . 0 0 "[ . 1 . 2]" 1
80 1 7 ARG H 1 7 ARG HG2 3.550 . 3.550 3.330 2.203 3.694 0.144 8 0 "[ . 1 . 2]" 1
81 1 7 ARG H 1 7 ARG HG3 3.820 . 3.820 2.580 2.272 3.495 . 0 0 "[ . 1 . 2]" 1
82 1 7 ARG H 1 8 LEU H 4.570 . 4.570 4.396 4.287 4.477 . 0 0 "[ . 1 . 2]" 1
83 1 7 ARG H 1 73 ASN HA 3.600 . 3.600 2.240 1.823 2.708 . 0 0 "[ . 1 . 2]" 1
84 1 7 ARG H 1 73 ASN HB2 4.240 . 4.240 1.925 1.611 2.293 0.089 20 0 "[ . 1 . 2]" 1
85 1 7 ARG H 1 73 ASN HB3 3.750 . 3.750 2.099 1.718 2.313 . 0 0 "[ . 1 . 2]" 1
86 1 7 ARG H 1 73 ASN HD21 4.450 . 4.450 4.459 4.133 4.577 0.127 20 0 "[ . 1 . 2]" 1
87 1 7 ARG H 1 74 GLY H 4.010 . 4.010 3.543 3.178 3.846 . 0 0 "[ . 1 . 2]" 1
88 1 7 ARG H 1 75 ASP H 5.420 . 5.420 5.023 4.638 5.451 0.031 16 0 "[ . 1 . 2]" 1
89 1 7 ARG HA 1 7 ARG QD 4.190 . 4.190 3.789 2.148 4.156 . 0 0 "[ . 1 . 2]" 1
90 1 7 ARG HA 1 7 ARG HG2 3.770 . 3.770 2.541 2.343 3.032 . 0 0 "[ . 1 . 2]" 1
91 1 7 ARG HA 1 25 THR MG 4.220 . 4.220 3.023 2.692 3.499 . 0 0 "[ . 1 . 2]" 1
92 1 7 ARG HA 1 26 VAL H 5.140 . 5.140 3.432 3.064 3.861 . 0 0 "[ . 1 . 2]" 1
93 1 7 ARG HA 1 26 VAL MG2 4.740 . 4.740 4.168 3.757 4.665 . 0 0 "[ . 1 . 2]" 1
94 1 7 ARG QB 1 7 ARG QD 3.260 . 3.260 2.321 2.133 2.579 . 0 0 "[ . 1 . 2]" 1
95 1 7 ARG QB 1 25 THR MG 3.970 . 3.970 3.929 3.194 4.049 0.079 17 0 "[ . 1 . 2]" 1
96 1 7 ARG QD 1 25 THR MG 4.100 . 4.100 3.489 1.935 4.012 . 0 0 "[ . 1 . 2]" 1
97 1 7 ARG HG2 1 8 LEU H 5.170 . 5.170 4.472 4.127 5.103 . 0 0 "[ . 1 . 2]" 1
98 1 7 ARG HG2 1 25 THR HA 5.000 . 5.000 3.481 2.773 4.854 . 0 0 "[ . 1 . 2]" 1
99 1 7 ARG HG2 1 25 THR MG 4.150 . 4.150 2.424 1.949 3.328 . 0 0 "[ . 1 . 2]" 1
100 1 7 ARG HG3 1 74 GLY H 4.900 . 4.900 4.924 4.474 5.128 0.228 8 0 "[ . 1 . 2]" 1
101 1 8 LEU H 1 8 LEU QB 3.660 . 3.660 2.393 2.299 2.463 . 0 0 "[ . 1 . 2]" 1
102 1 8 LEU H 1 8 LEU QD 4.530 . 4.530 3.763 3.579 3.905 . 0 0 "[ . 1 . 2]" 1
103 1 8 LEU H 1 24 LEU H 4.490 . 4.490 2.982 2.784 3.190 . 0 0 "[ . 1 . 2]" 1
104 1 8 LEU H 1 24 LEU HB2 4.270 . 4.270 3.409 3.159 3.859 . 0 0 "[ . 1 . 2]" 1
105 1 8 LEU H 1 26 VAL H 4.530 . 4.530 3.985 3.707 4.149 . 0 0 "[ . 1 . 2]" 1
106 1 8 LEU QB 1 8 LEU QD 2.750 . 2.750 1.961 1.895 2.024 . 0 0 "[ . 1 . 2]" 1
107 1 8 LEU QB 1 10 VAL QG 4.260 . 4.260 3.562 3.144 3.856 . 0 0 "[ . 1 . 2]" 1
108 1 8 LEU QB 1 24 LEU H 4.710 . 4.710 3.373 3.039 3.632 . 0 0 "[ . 1 . 2]" 1
109 1 8 LEU QB 1 26 VAL MG2 3.580 . 3.580 2.705 2.246 3.006 . 0 0 "[ . 1 . 2]" 1
110 1 8 LEU HB2 1 8 LEU MD1 3.600 . 3.600 2.643 2.190 3.172 . 0 0 "[ . 1 . 2]" 1
111 1 8 LEU HB2 1 8 LEU MD2 3.600 . 3.600 2.589 2.341 3.215 . 0 0 "[ . 1 . 2]" 1
112 1 8 LEU HB3 1 8 LEU MD1 3.600 . 3.600 2.708 2.069 3.222 . 0 0 "[ . 1 . 2]" 1
113 1 8 LEU HB3 1 8 LEU MD2 3.600 . 3.600 2.673 2.207 3.223 . 0 0 "[ . 1 . 2]" 1
114 1 8 LEU QD 1 9 TRP H 3.750 . 3.750 2.127 1.862 2.755 . 0 0 "[ . 1 . 2]" 1
115 1 8 LEU QD 1 9 TRP QB 4.650 . 4.650 3.630 3.329 4.136 . 0 0 "[ . 1 . 2]" 1
116 1 8 LEU QD 1 10 VAL H 4.400 . 4.400 4.003 3.336 4.563 0.163 20 0 "[ . 1 . 2]" 1
117 1 8 LEU QD 1 10 VAL HA 4.150 . 4.150 3.457 2.838 3.949 . 0 0 "[ . 1 . 2]" 1
118 1 8 LEU QD 1 10 VAL QG 2.890 . 2.890 2.053 1.735 2.597 . 0 0 "[ . 1 . 2]" 1
119 1 8 LEU QD 1 24 LEU HB2 3.720 . 3.720 2.932 2.575 3.477 . 0 0 "[ . 1 . 2]" 1
120 1 8 LEU QD 1 24 LEU QD 3.820 . 3.820 2.651 2.292 3.317 . 0 0 "[ . 1 . 2]" 1
121 1 8 LEU QD 1 35 LEU QD 3.840 . 3.840 2.149 1.718 2.658 . 0 0 "[ . 1 . 2]" 1
122 1 8 LEU QD 1 38 MET ME 4.830 . 4.830 4.677 4.175 4.977 0.147 2 0 "[ . 1 . 2]" 1
123 1 8 LEU QD 1 52 TRP HE3 4.430 . 4.430 4.125 3.839 4.540 0.110 8 0 "[ . 1 . 2]" 1
124 1 8 LEU QD 1 52 TRP HZ3 4.030 . 4.030 2.292 2.010 2.746 . 0 0 "[ . 1 . 2]" 1
125 1 8 LEU QD 1 75 ASP QB 3.620 . 3.620 2.262 1.855 3.255 . 0 0 "[ . 1 . 2]" 1
126 1 8 LEU QD 1 76 SER H 3.740 . 3.740 3.314 3.019 3.889 0.149 2 0 "[ . 1 . 2]" 1
127 1 8 LEU QD 1 76 SER HA 3.780 . 3.780 2.264 1.987 2.795 . 0 0 "[ . 1 . 2]" 1
128 1 8 LEU QD 1 77 ALA H 3.650 . 3.650 2.789 2.347 3.247 . 0 0 "[ . 1 . 2]" 1
129 1 8 LEU QD 1 77 ALA MB 3.100 . 3.100 2.028 1.801 2.261 . 0 0 "[ . 1 . 2]" 1
130 1 8 LEU MD1 1 77 ALA H 4.740 . 4.740 3.152 2.644 4.563 . 0 0 "[ . 1 . 2]" 1
131 1 8 LEU MD1 1 77 ALA MB 3.610 . 3.610 2.291 2.055 2.671 . 0 0 "[ . 1 . 2]" 1
132 1 8 LEU MD2 1 77 ALA H 4.740 . 4.740 3.662 2.355 4.597 . 0 0 "[ . 1 . 2]" 1
133 1 8 LEU MD2 1 77 ALA MB 3.610 . 3.610 2.400 1.862 2.928 . 0 0 "[ . 1 . 2]" 1
134 1 8 LEU HG 1 9 TRP H 4.870 . 4.870 3.647 2.849 4.688 . 0 0 "[ . 1 . 2]" 1
135 1 8 LEU HG 1 10 VAL QG 3.950 . 3.950 3.156 2.101 4.156 0.206 14 0 "[ . 1 . 2]" 1
136 1 8 LEU HG 1 35 LEU QD 4.960 . 4.960 3.644 2.339 5.053 0.093 2 0 "[ . 1 . 2]" 1
137 1 9 TRP H 1 9 TRP HD1 4.590 . 4.590 3.309 2.918 3.737 . 0 0 "[ . 1 . 2]" 1
138 1 9 TRP H 1 75 ASP QB 4.900 . 4.900 4.266 3.903 4.963 0.063 19 0 "[ . 1 . 2]" 1
139 1 9 TRP H 1 76 SER HA 4.720 . 4.720 2.427 2.170 2.620 . 0 0 "[ . 1 . 2]" 1
140 1 9 TRP H 1 76 SER HB2 5.500 . 5.500 5.146 4.138 5.461 . 0 0 "[ . 1 . 2]" 1
141 1 9 TRP H 1 76 SER QB 4.820 . 4.820 4.033 3.508 4.292 . 0 0 "[ . 1 . 2]" 1
142 1 9 TRP H 1 76 SER HB3 5.500 . 5.500 4.257 3.657 5.214 . 0 0 "[ . 1 . 2]" 1
143 1 9 TRP H 1 77 ALA H 4.410 . 4.410 4.013 3.793 4.436 0.026 9 0 "[ . 1 . 2]" 1
144 1 9 TRP H 1 77 ALA MB 4.920 . 4.920 4.786 4.547 4.977 0.057 14 0 "[ . 1 . 2]" 1
145 1 9 TRP HA 1 9 TRP HD1 4.850 . 4.850 2.472 2.301 3.051 . 0 0 "[ . 1 . 2]" 1
146 1 9 TRP QB 1 10 VAL H 3.850 . 3.850 3.066 2.921 3.331 . 0 0 "[ . 1 . 2]" 1
147 1 9 TRP QB 1 76 SER HA 4.710 . 4.710 2.509 2.106 3.851 . 0 0 "[ . 1 . 2]" 1
148 1 9 TRP HB2 1 10 VAL H 4.410 . 4.410 3.897 3.632 4.047 . 0 0 "[ . 1 . 2]" 1
149 1 9 TRP HB3 1 10 VAL H 4.410 . 4.410 3.215 3.028 3.545 . 0 0 "[ . 1 . 2]" 1
150 1 9 TRP HD1 1 23 TRP HA 4.560 . 4.560 2.992 2.380 3.588 . 0 0 "[ . 1 . 2]" 1
151 1 9 TRP HD1 1 23 TRP QB 4.260 . 4.260 3.253 2.417 3.895 . 0 0 "[ . 1 . 2]" 1
152 1 9 TRP HH2 1 74 GLY H 5.500 . 5.500 5.437 4.621 5.661 0.161 14 0 "[ . 1 . 2]" 1
153 1 9 TRP HH2 1 74 GLY HA2 4.870 . 4.870 3.141 2.479 3.356 . 0 0 "[ . 1 . 2]" 1
154 1 9 TRP HH2 1 74 GLY HA3 4.870 . 4.870 3.764 3.360 4.128 . 0 0 "[ . 1 . 2]" 1
155 1 9 TRP HZ3 1 74 GLY QA 4.410 . 4.410 4.251 3.595 4.483 0.073 19 0 "[ . 1 . 2]" 1
156 1 9 TRP HZ3 1 76 SER HA 5.500 . 5.500 5.565 5.282 5.696 0.196 16 0 "[ . 1 . 2]" 1
157 1 9 TRP HZ3 1 76 SER QB 4.030 . 4.030 4.111 3.771 4.267 0.237 2 0 "[ . 1 . 2]" 1
158 1 10 VAL H 1 11 SER H 4.550 . 4.550 4.296 4.223 4.376 . 0 0 "[ . 1 . 2]" 1
159 1 10 VAL H 1 77 ALA MB 5.220 . 5.220 4.894 4.526 5.160 . 0 0 "[ . 1 . 2]" 1
160 1 10 VAL HA 1 77 ALA H 3.970 . 3.970 2.402 2.149 2.640 . 0 0 "[ . 1 . 2]" 1
161 1 10 VAL HB 1 12 VAL QG 4.050 . 4.050 3.047 2.514 3.418 . 0 0 "[ . 1 . 2]" 1
162 1 10 VAL HB 1 22 ILE MD 4.200 . 4.200 2.644 2.396 3.002 . 0 0 "[ . 1 . 2]" 1
163 1 10 VAL HB 1 22 ILE HG12 4.220 . 4.220 2.100 1.962 2.346 . 0 0 "[ . 1 . 2]" 1
164 1 10 VAL HB 1 22 ILE HG13 3.880 . 3.880 2.100 1.940 2.501 . 0 0 "[ . 1 . 2]" 1
165 1 10 VAL HB 1 24 LEU MD1 5.100 . 5.100 3.711 2.966 5.146 0.046 19 0 "[ . 1 . 2]" 1
166 1 10 VAL HB 1 24 LEU QD 4.010 . 4.010 3.413 2.837 3.899 . 0 0 "[ . 1 . 2]" 1
167 1 10 VAL HB 1 24 LEU MD2 5.100 . 5.100 4.589 2.853 5.120 0.020 15 0 "[ . 1 . 2]" 1
168 1 10 VAL HB 1 77 ALA H 5.500 . 5.500 5.285 4.919 5.586 0.086 9 0 "[ . 1 . 2]" 1
169 1 10 VAL QG 1 22 ILE MD 4.260 . 4.260 2.628 2.470 2.775 . 0 0 "[ . 1 . 2]" 1
170 1 10 VAL QG 1 24 LEU H 4.980 . 4.980 3.550 3.094 4.225 . 0 0 "[ . 1 . 2]" 1
171 1 10 VAL QG 1 24 LEU QD 3.010 . 3.010 1.919 1.786 2.132 . 0 0 "[ . 1 . 2]" 1
172 1 10 VAL QG 1 39 VAL MG2 4.570 . 4.570 3.231 2.795 3.622 . 0 0 "[ . 1 . 2]" 1
173 1 10 VAL QG 1 52 TRP HE3 4.570 . 4.570 3.469 3.063 3.659 . 0 0 "[ . 1 . 2]" 1
174 1 10 VAL QG 1 52 TRP HH2 3.240 . 3.240 2.045 1.852 2.534 . 0 0 "[ . 1 . 2]" 1
175 1 10 VAL QG 1 52 TRP HZ2 3.720 . 3.720 3.138 2.589 3.726 0.006 3 0 "[ . 1 . 2]" 1
176 1 10 VAL QG 1 52 TRP HZ3 3.420 . 3.420 2.421 1.846 2.952 . 0 0 "[ . 1 . 2]" 1
177 1 10 VAL QG 1 77 ALA H 3.950 . 3.950 3.269 2.608 3.715 . 0 0 "[ . 1 . 2]" 1
178 1 10 VAL QG 1 77 ALA MB 3.140 . 3.140 2.057 1.810 2.400 . 0 0 "[ . 1 . 2]" 1
179 1 10 VAL QG 1 79 LEU QB 3.790 . 3.790 1.996 1.759 2.382 . 0 0 "[ . 1 . 2]" 1
180 1 10 VAL QG 1 79 LEU QD 3.990 . 3.990 2.529 1.931 2.982 . 0 0 "[ . 1 . 2]" 1
181 1 10 VAL MG1 1 52 TRP HH2 3.720 . 3.720 3.138 2.624 3.806 0.086 19 0 "[ . 1 . 2]" 1
182 1 10 VAL MG1 1 52 TRP HZ2 4.250 . 4.250 3.575 2.948 4.192 . 0 0 "[ . 1 . 2]" 1
183 1 10 VAL MG1 1 52 TRP HZ3 4.220 . 4.220 3.098 2.387 3.857 . 0 0 "[ . 1 . 2]" 1
184 1 10 VAL MG1 1 77 ALA MB 3.670 . 3.670 2.357 1.955 3.183 . 0 0 "[ . 1 . 2]" 1
185 1 10 VAL MG2 1 52 TRP HH2 3.720 . 3.720 2.074 1.886 2.573 . 0 0 "[ . 1 . 2]" 1
186 1 10 VAL MG2 1 52 TRP HZ2 4.250 . 4.250 3.503 2.791 4.213 . 0 0 "[ . 1 . 2]" 1
187 1 10 VAL MG2 1 52 TRP HZ3 4.220 . 4.220 2.568 1.896 3.218 . 0 0 "[ . 1 . 2]" 1
188 1 10 VAL MG2 1 77 ALA MB 3.670 . 3.670 2.370 1.919 2.938 . 0 0 "[ . 1 . 2]" 1
189 1 11 SER H 1 78 TYR HA 4.500 . 4.500 2.558 2.287 2.837 . 0 0 "[ . 1 . 2]" 1
190 1 11 SER H 1 78 TYR QB 5.340 . 5.340 4.540 4.332 4.778 . 0 0 "[ . 1 . 2]" 1
191 1 12 VAL H 1 12 VAL QG 4.220 . 4.220 2.521 2.077 2.842 . 0 0 "[ . 1 . 2]" 1
192 1 12 VAL H 1 13 GLU H 4.680 . 4.680 4.370 4.324 4.424 . 0 0 "[ . 1 . 2]" 1
193 1 12 VAL H 1 20 VAL QG 4.850 . 4.850 3.723 3.181 4.315 . 0 0 "[ . 1 . 2]" 1
194 1 12 VAL HA 1 12 VAL MG1 3.660 . 3.660 2.389 2.168 2.504 . 0 0 "[ . 1 . 2]" 1
195 1 12 VAL HA 1 12 VAL MG2 3.660 . 3.660 2.410 2.327 2.555 . 0 0 "[ . 1 . 2]" 1
196 1 12 VAL HA 1 79 LEU H 4.710 . 4.710 2.838 2.622 3.071 . 0 0 "[ . 1 . 2]" 1
197 1 12 VAL HB 1 13 GLU H 4.460 . 4.460 4.183 4.029 4.317 . 0 0 "[ . 1 . 2]" 1
198 1 12 VAL HB 1 20 VAL QG 3.460 . 3.460 2.440 1.758 3.240 . 0 0 "[ . 1 . 2]" 1
199 1 12 VAL QG 1 13 GLU H 3.680 . 3.680 2.630 2.432 2.826 . 0 0 "[ . 1 . 2]" 1
200 1 12 VAL QG 1 20 VAL HB 5.040 . 5.040 3.390 2.415 4.257 . 0 0 "[ . 1 . 2]" 1
201 1 12 VAL QG 1 20 VAL QG 3.250 . 3.250 2.486 1.850 3.050 . 0 0 "[ . 1 . 2]" 1
202 1 12 VAL QG 1 22 ILE MD 3.080 . 3.080 2.433 2.034 2.659 . 0 0 "[ . 1 . 2]" 1
203 1 12 VAL QG 1 22 ILE MG 3.230 . 3.230 2.241 1.935 2.566 . 0 0 "[ . 1 . 2]" 1
204 1 12 VAL QG 1 45 PHE HE2 3.510 . 3.510 2.046 1.820 2.481 . 0 0 "[ . 1 . 2]" 1
205 1 12 VAL QG 1 45 PHE HZ 4.270 . 4.270 3.136 2.686 4.053 . 0 0 "[ . 1 . 2]" 1
206 1 12 VAL QG 1 79 LEU H 4.400 . 4.400 3.501 3.286 3.823 . 0 0 "[ . 1 . 2]" 1
207 1 12 VAL QG 1 79 LEU QB 3.810 . 3.810 1.949 1.795 2.326 . 0 0 "[ . 1 . 2]" 1
208 1 12 VAL QG 1 79 LEU QD 3.150 . 3.150 1.946 1.745 2.197 . 0 0 "[ . 1 . 2]" 1
209 1 12 VAL QG 1 81 LEU QB 4.210 . 4.210 3.371 2.223 4.024 . 0 0 "[ . 1 . 2]" 1
210 1 12 VAL QG 1 81 LEU QD 2.990 . 2.990 1.989 1.658 2.665 0.042 7 0 "[ . 1 . 2]" 1
211 1 12 VAL QG 1 81 LEU HG 4.390 . 4.390 3.096 2.136 4.575 0.185 6 0 "[ . 1 . 2]" 1
212 1 12 VAL MG1 1 13 GLU H 4.230 . 4.230 2.666 2.457 2.870 . 0 0 "[ . 1 . 2]" 1
213 1 12 VAL MG1 1 22 ILE MG 4.000 . 4.000 3.814 3.321 4.076 0.076 15 0 "[ . 1 . 2]" 1
214 1 12 VAL MG1 1 45 PHE HE2 4.290 . 4.290 2.237 1.985 2.954 . 0 0 "[ . 1 . 2]" 1
215 1 12 VAL MG1 1 81 LEU MD1 4.860 . 4.860 2.154 1.759 3.616 . 0 0 "[ . 1 . 2]" 1
216 1 12 VAL MG1 1 81 LEU MD2 4.860 . 4.860 2.999 2.050 3.637 . 0 0 "[ . 1 . 2]" 1
217 1 12 VAL MG2 1 13 GLU H 4.230 . 4.230 4.045 3.845 4.260 0.030 11 0 "[ . 1 . 2]" 1
218 1 12 VAL MG2 1 22 ILE MG 4.000 . 4.000 2.259 1.948 2.611 . 0 0 "[ . 1 . 2]" 1
219 1 12 VAL MG2 1 45 PHE HE2 4.290 . 4.290 2.482 2.014 3.386 . 0 0 "[ . 1 . 2]" 1
220 1 12 VAL MG2 1 81 LEU MD1 4.860 . 4.860 3.672 2.715 4.636 . 0 0 "[ . 1 . 2]" 1
221 1 12 VAL MG2 1 81 LEU MD2 4.860 . 4.860 4.322 3.819 4.896 0.036 3 0 "[ . 1 . 2]" 1
222 1 13 GLU H 1 13 GLU QG 4.710 . 4.710 3.048 2.602 3.675 . 0 0 "[ . 1 . 2]" 1
223 1 13 GLU H 1 79 LEU H 5.420 . 5.420 3.977 3.683 4.475 . 0 0 "[ . 1 . 2]" 1
224 1 13 GLU H 1 79 LEU QD 4.880 . 4.880 3.920 2.906 4.588 . 0 0 "[ . 1 . 2]" 1
225 1 13 GLU HA 1 13 GLU QG 3.710 . 3.710 2.351 2.186 2.637 . 0 0 "[ . 1 . 2]" 1
226 1 13 GLU HA 1 19 THR HA 4.080 . 4.080 2.328 1.976 3.025 . 0 0 "[ . 1 . 2]" 1
227 1 13 GLU HA 1 20 VAL QG 4.630 . 4.630 4.079 3.421 4.580 . 0 0 "[ . 1 . 2]" 1
228 1 13 GLU HB3 1 14 ASP H 4.300 . 4.300 3.364 2.994 3.712 . 0 0 "[ . 1 . 2]" 1
229 1 13 GLU HB3 1 14 ASP QB 5.280 . 5.280 5.135 4.889 5.321 0.041 4 0 "[ . 1 . 2]" 1
230 1 13 GLU QG 1 14 ASP H 4.630 . 4.630 4.067 3.678 4.511 . 0 0 "[ . 1 . 2]" 1
231 1 13 GLU QG 1 19 THR HA 4.330 . 4.330 2.912 2.143 3.827 . 0 0 "[ . 1 . 2]" 1
232 1 13 GLU QG 1 19 THR MG 4.310 . 4.310 2.353 1.924 3.607 . 0 0 "[ . 1 . 2]" 1
233 1 13 GLU QG 1 20 VAL QG 5.280 . 5.280 4.931 4.157 5.341 0.061 9 0 "[ . 1 . 2]" 1
234 1 14 ASP HA 1 81 LEU HB2 4.360 . 4.360 2.151 1.810 3.705 . 0 0 "[ . 1 . 2]" 1
235 1 14 ASP HA 1 81 LEU HB3 4.360 . 4.360 3.213 1.892 3.770 . 0 0 "[ . 1 . 2]" 1
236 1 14 ASP HA 1 81 LEU QD 4.330 . 4.330 3.175 2.050 3.893 . 0 0 "[ . 1 . 2]" 1
237 1 14 ASP QB 1 15 ALA MB 4.480 . 4.480 4.416 3.718 4.707 0.227 14 0 "[ . 1 . 2]" 1
238 1 14 ASP QB 1 16 GLN H 3.850 . 3.850 3.065 2.545 3.676 . 0 0 "[ . 1 . 2]" 1
239 1 14 ASP QB 1 17 MET H 4.470 . 4.470 3.581 2.957 4.490 0.020 18 0 "[ . 1 . 2]" 1
240 1 14 ASP QB 1 81 LEU QD 3.930 . 3.930 3.168 2.445 3.945 0.015 8 0 "[ . 1 . 2]" 1
241 1 14 ASP HB2 1 15 ALA H 3.860 . 3.860 3.569 2.133 4.089 0.229 14 0 "[ . 1 . 2]" 1
242 1 14 ASP HB3 1 15 ALA H 3.860 . 3.860 3.730 3.423 4.050 0.190 12 0 "[ . 1 . 2]" 1
243 1 15 ALA H 1 15 ALA MB 3.340 . 3.340 2.194 2.052 2.279 . 0 0 "[ . 1 . 2]" 1
244 1 15 ALA H 1 16 GLN H 3.900 . 3.900 2.576 2.370 2.756 . 0 0 "[ . 1 . 2]" 1
245 1 15 ALA H 1 81 LEU QD 5.170 . 5.170 4.304 2.629 5.073 . 0 0 "[ . 1 . 2]" 1
246 1 15 ALA HA 1 17 MET H 4.270 . 4.270 3.309 3.070 3.725 . 0 0 "[ . 1 . 2]" 1
247 1 15 ALA MB 1 16 GLN H 3.690 . 3.690 2.730 2.503 2.933 . 0 0 "[ . 1 . 2]" 1
248 1 15 ALA MB 1 16 GLN HE21 4.070 . 4.070 2.952 2.377 3.575 . 0 0 "[ . 1 . 2]" 1
249 1 15 ALA MB 1 16 GLN QE 3.510 . 3.510 2.808 2.217 3.201 . 0 0 "[ . 1 . 2]" 1
250 1 15 ALA MB 1 16 GLN HE22 4.070 . 4.070 3.822 2.650 4.304 0.234 17 0 "[ . 1 . 2]" 1
251 1 15 ALA MB 1 16 GLN QG 3.870 . 3.870 3.252 2.700 3.575 . 0 0 "[ . 1 . 2]" 1
252 1 15 ALA MB 1 82 LEU HA 4.330 . 4.330 2.596 1.979 3.151 . 0 0 "[ . 1 . 2]" 1
253 1 15 ALA MB 1 82 LEU QD 3.890 . 3.890 3.418 2.111 4.075 0.185 9 0 "[ . 1 . 2]" 1
254 1 15 ALA MB 1 83 SER H 3.620 . 3.620 2.313 1.851 2.705 . 0 0 "[ . 1 . 2]" 1
255 1 15 ALA MB 1 83 SER HA 3.380 . 3.380 2.214 1.813 3.144 . 0 0 "[ . 1 . 2]" 1
256 1 15 ALA MB 1 83 SER HB2 3.680 . 3.680 3.585 3.283 3.801 0.121 1 0 "[ . 1 . 2]" 1
257 1 15 ALA MB 1 83 SER QB 3.220 . 3.220 2.709 2.015 3.256 0.036 8 0 "[ . 1 . 2]" 1
258 1 15 ALA MB 1 83 SER HB3 3.680 . 3.680 2.866 2.032 3.846 0.166 8 0 "[ . 1 . 2]" 1
259 1 16 GLN H 1 16 GLN HB2 3.240 . 3.240 2.563 2.257 3.164 . 0 0 "[ . 1 . 2]" 1
260 1 16 GLN H 1 16 GLN QG 3.020 . 3.020 2.290 1.860 3.178 0.158 5 0 "[ . 1 . 2]" 1
261 1 16 GLN H 1 17 MET H 3.480 . 3.480 2.612 2.415 2.984 . 0 0 "[ . 1 . 2]" 1
262 1 16 GLN H 1 17 MET HA 4.790 . 4.790 4.753 4.549 4.928 0.138 1 0 "[ . 1 . 2]" 1
263 1 16 GLN HA 1 16 GLN QE 4.520 . 4.520 3.323 1.992 4.189 . 0 0 "[ . 1 . 2]" 1
264 1 16 GLN HA 1 16 GLN HG2 4.050 . 4.050 3.134 2.849 3.672 . 0 0 "[ . 1 . 2]" 1
265 1 16 GLN HA 1 16 GLN QG 3.310 . 3.310 2.829 2.158 3.395 0.085 7 0 "[ . 1 . 2]" 1
266 1 16 GLN HA 1 16 GLN HG3 4.050 . 4.050 3.424 2.225 3.996 . 0 0 "[ . 1 . 2]" 1
267 1 16 GLN HB2 1 16 GLN QE 4.380 . 4.380 3.738 1.766 4.359 . 0 0 "[ . 1 . 2]" 1
268 1 16 GLN HB2 1 17 MET H 4.100 . 4.100 3.726 3.455 4.120 0.020 18 0 "[ . 1 . 2]" 1
269 1 16 GLN HB3 1 17 MET H 4.850 . 4.850 4.389 4.262 4.607 . 0 0 "[ . 1 . 2]" 1
270 1 16 GLN QE 1 83 SER HA 5.000 . 5.000 3.452 1.833 4.973 . 0 0 "[ . 1 . 2]" 1
271 1 19 THR H 1 20 VAL H 4.640 . 4.640 4.367 4.181 4.513 . 0 0 "[ . 1 . 2]" 1
272 1 19 THR H 1 20 VAL QG 5.010 . 5.010 3.722 3.235 4.277 . 0 0 "[ . 1 . 2]" 1
273 1 19 THR HA 1 19 THR MG 3.680 . 3.680 2.352 2.161 3.206 . 0 0 "[ . 1 . 2]" 1
274 1 19 THR HA 1 20 VAL QG 3.810 . 3.810 3.344 3.161 3.480 . 0 0 "[ . 1 . 2]" 1
275 1 19 THR HB 1 20 VAL H 4.570 . 4.570 4.164 4.024 4.271 . 0 0 "[ . 1 . 2]" 1
276 1 19 THR MG 1 20 VAL H 4.050 . 4.050 2.806 2.601 3.667 . 0 0 "[ . 1 . 2]" 1
277 1 19 THR MG 1 20 VAL HA 4.110 . 4.110 3.750 3.542 4.148 0.038 6 0 "[ . 1 . 2]" 1
278 1 20 VAL H 1 20 VAL QG 3.910 . 3.910 2.321 1.984 2.738 . 0 0 "[ . 1 . 2]" 1
279 1 20 VAL H 1 21 THR H 4.650 . 4.650 4.414 4.350 4.455 . 0 0 "[ . 1 . 2]" 1
280 1 20 VAL HA 1 20 VAL QG 3.050 . 3.050 2.155 2.031 2.315 . 0 0 "[ . 1 . 2]" 1
281 1 20 VAL HA 1 21 THR H 3.330 . 3.330 2.332 2.140 2.455 . 0 0 "[ . 1 . 2]" 1
282 1 20 VAL HB 1 21 THR H 3.590 . 3.590 2.997 2.443 3.765 0.175 15 0 "[ . 1 . 2]" 1
283 1 20 VAL HB 1 22 ILE MG 4.140 . 4.140 3.517 3.088 4.007 . 0 0 "[ . 1 . 2]" 1
284 1 20 VAL QG 1 21 THR H 3.570 . 3.570 2.610 1.917 3.251 . 0 0 "[ . 1 . 2]" 1
285 1 20 VAL QG 1 21 THR HA 5.440 . 5.440 3.930 3.640 4.349 . 0 0 "[ . 1 . 2]" 1
286 1 20 VAL QG 1 45 PHE HE2 5.300 . 5.300 4.155 3.123 5.356 0.056 6 0 "[ . 1 . 2]" 1
287 1 21 THR H 1 21 THR HB 4.030 . 4.030 2.673 2.446 2.800 . 0 0 "[ . 1 . 2]" 1
288 1 21 THR H 1 21 THR MG 4.480 . 4.480 3.863 3.657 3.925 . 0 0 "[ . 1 . 2]" 1
289 1 21 THR HB 1 22 ILE H 4.820 . 4.820 4.102 3.918 4.364 . 0 0 "[ . 1 . 2]" 1
290 1 21 THR MG 1 22 ILE H 3.730 . 3.730 2.583 2.277 2.775 . 0 0 "[ . 1 . 2]" 1
291 1 21 THR MG 1 23 TRP HD1 5.100 . 5.100 4.822 3.168 5.204 0.104 15 0 "[ . 1 . 2]" 1
292 1 21 THR MG 1 23 TRP HE1 4.150 . 4.150 3.781 1.967 4.141 . 0 0 "[ . 1 . 2]" 1
293 1 21 THR MG 1 23 TRP HE3 4.490 . 4.490 4.245 3.588 4.740 0.250 7 0 "[ . 1 . 2]" 1
294 1 21 THR MG 1 23 TRP HH2 4.250 . 4.250 3.393 2.825 4.195 . 0 0 "[ . 1 . 2]" 1
295 1 21 THR MG 1 23 TRP HZ2 3.590 . 3.590 3.034 2.221 3.599 0.009 12 0 "[ . 1 . 2]" 1
296 1 22 ILE H 1 22 ILE HG12 3.990 . 3.990 2.302 2.209 2.399 . 0 0 "[ . 1 . 2]" 1
297 1 22 ILE H 1 22 ILE MG 3.950 . 3.950 2.891 2.797 3.022 . 0 0 "[ . 1 . 2]" 1
298 1 22 ILE H 1 23 TRP H 4.680 . 4.680 4.402 4.359 4.464 . 0 0 "[ . 1 . 2]" 1
299 1 22 ILE HA 1 22 ILE MD 4.310 . 4.310 4.128 4.118 4.141 . 0 0 "[ . 1 . 2]" 1
300 1 22 ILE HA 1 22 ILE MG 2.990 . 2.990 2.344 2.269 2.426 . 0 0 "[ . 1 . 2]" 1
301 1 22 ILE HA 1 23 TRP H 3.250 . 3.250 2.243 2.160 2.327 . 0 0 "[ . 1 . 2]" 1
302 1 22 ILE HB 1 22 ILE MD 3.140 . 3.140 2.358 2.272 2.401 . 0 0 "[ . 1 . 2]" 1
303 1 22 ILE HB 1 23 TRP H 3.360 . 3.360 2.667 2.576 2.763 . 0 0 "[ . 1 . 2]" 1
304 1 22 ILE HB 1 24 LEU QD 4.630 . 4.630 3.328 2.877 3.794 . 0 0 "[ . 1 . 2]" 1
305 1 22 ILE MD 1 22 ILE MG 2.780 . 2.780 1.904 1.742 2.073 . 0 0 "[ . 1 . 2]" 1
306 1 22 ILE MD 1 23 TRP H 4.550 . 4.550 4.393 4.311 4.482 . 0 0 "[ . 1 . 2]" 1
307 1 22 ILE MD 1 24 LEU MD1 3.220 . 3.220 2.693 2.129 3.194 . 0 0 "[ . 1 . 2]" 1
308 1 22 ILE MD 1 24 LEU MD2 3.220 . 3.220 2.597 2.029 2.910 . 0 0 "[ . 1 . 2]" 1
309 1 22 ILE MD 1 39 VAL MG1 4.490 . 4.490 2.356 1.969 2.809 . 0 0 "[ . 1 . 2]" 1
310 1 22 ILE MD 1 39 VAL MG2 3.800 . 3.800 2.577 2.014 3.036 . 0 0 "[ . 1 . 2]" 1
311 1 22 ILE MD 1 43 TYR HD2 4.180 . 4.180 3.141 2.680 3.397 . 0 0 "[ . 1 . 2]" 1
312 1 22 ILE MD 1 43 TYR HE2 3.580 . 3.580 2.446 2.154 2.874 . 0 0 "[ . 1 . 2]" 1
313 1 22 ILE MD 1 45 PHE HD2 4.780 . 4.780 3.794 3.205 4.286 . 0 0 "[ . 1 . 2]" 1
314 1 22 ILE MD 1 45 PHE HE2 4.350 . 4.350 3.176 2.470 3.676 . 0 0 "[ . 1 . 2]" 1
315 1 22 ILE MD 1 45 PHE HZ 5.060 . 5.060 4.404 3.261 5.089 0.029 9 0 "[ . 1 . 2]" 1
316 1 22 ILE HG12 1 22 ILE MG 3.510 . 3.510 2.272 2.210 2.405 . 0 0 "[ . 1 . 2]" 1
317 1 22 ILE HG12 1 23 TRP H 4.890 . 4.890 4.819 4.793 4.849 . 0 0 "[ . 1 . 2]" 1
318 1 22 ILE HG13 1 23 TRP H 3.750 . 3.750 3.813 3.746 3.873 0.123 7 0 "[ . 1 . 2]" 1
319 1 22 ILE HG13 1 23 TRP HA 5.000 . 5.000 4.133 3.939 4.295 . 0 0 "[ . 1 . 2]" 1
320 1 22 ILE HG13 1 24 LEU H 4.650 . 4.650 4.632 4.491 4.764 0.114 4 0 "[ . 1 . 2]" 1
321 1 22 ILE HG13 1 24 LEU MD1 4.300 . 4.300 3.330 2.114 3.918 . 0 0 "[ . 1 . 2]" 1
322 1 22 ILE HG13 1 24 LEU QD 3.380 . 3.380 2.935 2.102 3.292 . 0 0 "[ . 1 . 2]" 1
323 1 22 ILE HG13 1 24 LEU MD2 4.300 . 4.300 3.442 2.354 3.802 . 0 0 "[ . 1 . 2]" 1
324 1 22 ILE HG13 1 43 TYR HE2 4.490 . 4.490 4.384 3.856 4.584 0.094 18 0 "[ . 1 . 2]" 1
325 1 22 ILE MG 1 23 TRP H 4.910 . 4.910 3.804 3.756 3.853 . 0 0 "[ . 1 . 2]" 1
326 1 22 ILE MG 1 43 TYR HE1 3.760 . 3.760 3.246 2.767 3.749 . 0 0 "[ . 1 . 2]" 1
327 1 22 ILE MG 1 45 PHE HE2 4.430 . 4.430 3.491 2.107 4.129 . 0 0 "[ . 1 . 2]" 1
328 1 23 TRP H 1 23 TRP QB 3.560 . 3.560 2.547 2.397 2.744 . 0 0 "[ . 1 . 2]" 1
329 1 23 TRP H 1 24 LEU H 4.450 . 4.450 4.350 4.299 4.404 . 0 0 "[ . 1 . 2]" 1
330 1 23 TRP H 1 24 LEU QD 4.650 . 4.650 3.777 3.170 4.119 . 0 0 "[ . 1 . 2]" 1
331 1 23 TRP HA 1 24 LEU MD1 5.170 . 5.170 4.862 3.012 5.194 0.024 9 0 "[ . 1 . 2]" 1
332 1 23 TRP HA 1 24 LEU QD 4.310 . 4.310 3.965 2.766 4.281 . 0 0 "[ . 1 . 2]" 1
333 1 23 TRP HA 1 24 LEU MD2 5.170 . 5.170 4.311 2.798 5.284 0.114 8 0 "[ . 1 . 2]" 1
334 1 23 TRP QB 1 23 TRP HE1 4.680 . 4.680 4.428 4.392 4.528 . 0 0 "[ . 1 . 2]" 1
335 1 23 TRP QB 1 24 LEU H 4.160 . 4.160 3.264 3.109 3.374 . 0 0 "[ . 1 . 2]" 1
336 1 24 LEU H 1 24 LEU HB2 3.630 . 3.630 2.618 2.431 2.722 . 0 0 "[ . 1 . 2]" 1
337 1 24 LEU H 1 24 LEU MD1 5.320 . 5.320 3.822 2.431 4.042 . 0 0 "[ . 1 . 2]" 1
338 1 24 LEU H 1 24 LEU QD 4.510 . 4.510 3.209 2.094 3.455 . 0 0 "[ . 1 . 2]" 1
339 1 24 LEU H 1 24 LEU MD2 5.320 . 5.320 3.548 2.107 4.149 . 0 0 "[ . 1 . 2]" 1
340 1 24 LEU H 1 25 THR H 4.580 . 4.580 4.409 4.318 4.460 . 0 0 "[ . 1 . 2]" 1
341 1 24 LEU HA 1 24 LEU MD1 4.030 . 4.030 3.586 1.987 3.861 . 0 0 "[ . 1 . 2]" 1
342 1 24 LEU HA 1 24 LEU QD 3.450 . 3.450 2.135 1.970 2.543 . 0 0 "[ . 1 . 2]" 1
343 1 24 LEU HA 1 24 LEU MD2 4.030 . 4.030 2.315 2.005 3.743 . 0 0 "[ . 1 . 2]" 1
344 1 24 LEU HA 1 25 THR H 3.230 . 3.230 2.190 2.136 2.249 . 0 0 "[ . 1 . 2]" 1
345 1 24 LEU HA 1 26 VAL MG2 5.500 . 5.500 5.080 4.827 5.548 0.048 17 0 "[ . 1 . 2]" 1
346 1 24 LEU HA 1 35 LEU QD 5.440 . 5.440 4.459 4.087 4.866 . 0 0 "[ . 1 . 2]" 1
347 1 24 LEU HB2 1 24 LEU MD1 3.290 . 3.290 2.396 2.274 3.236 . 0 0 "[ . 1 . 2]" 1
348 1 24 LEU HB2 1 24 LEU QD 2.760 . 2.760 2.236 2.073 2.287 . 0 0 "[ . 1 . 2]" 1
349 1 24 LEU HB2 1 24 LEU MD2 3.290 . 3.290 3.071 2.146 3.226 . 0 0 "[ . 1 . 2]" 1
350 1 24 LEU HB2 1 25 THR H 4.130 . 4.130 4.063 3.943 4.272 0.142 8 0 "[ . 1 . 2]" 1
351 1 24 LEU HB2 1 25 THR HA 5.500 . 5.500 4.756 4.607 5.030 . 0 0 "[ . 1 . 2]" 1
352 1 24 LEU HB2 1 26 VAL MG1 4.200 . 4.200 3.680 2.649 4.239 0.039 8 0 "[ . 1 . 2]" 1
353 1 24 LEU HB2 1 26 VAL MG2 4.230 . 4.230 3.598 3.259 3.868 . 0 0 "[ . 1 . 2]" 1
354 1 24 LEU HB2 1 35 LEU MD1 4.600 . 4.600 3.170 2.292 4.376 . 0 0 "[ . 1 . 2]" 1
355 1 24 LEU HB2 1 35 LEU QD 3.760 . 3.760 2.844 2.249 3.252 . 0 0 "[ . 1 . 2]" 1
356 1 24 LEU HB2 1 35 LEU MD2 4.600 . 4.600 3.657 2.980 4.388 . 0 0 "[ . 1 . 2]" 1
357 1 24 LEU HB2 1 38 MET ME 3.640 . 3.640 3.638 3.319 3.802 0.162 1 0 "[ . 1 . 2]" 1
358 1 24 LEU HB3 1 25 THR H 3.530 . 3.530 3.133 2.976 3.287 . 0 0 "[ . 1 . 2]" 1
359 1 24 LEU HB3 1 26 VAL MG1 3.550 . 3.550 2.776 2.103 3.210 . 0 0 "[ . 1 . 2]" 1
360 1 24 LEU HB3 1 26 VAL MG2 4.180 . 4.180 3.625 3.136 4.215 0.035 17 0 "[ . 1 . 2]" 1
361 1 24 LEU HB3 1 38 MET ME 3.210 . 3.210 2.302 1.977 2.572 . 0 0 "[ . 1 . 2]" 1
362 1 24 LEU QD 1 25 THR H 4.080 . 4.080 3.487 3.341 4.110 0.030 8 0 "[ . 1 . 2]" 1
363 1 24 LEU QD 1 26 VAL MG1 4.670 . 4.670 3.547 3.096 3.834 . 0 0 "[ . 1 . 2]" 1
364 1 24 LEU QD 1 26 VAL MG2 5.010 . 5.010 4.023 3.785 4.312 . 0 0 "[ . 1 . 2]" 1
365 1 24 LEU QD 1 35 LEU QD 3.020 . 3.020 1.895 1.704 2.787 . 0 0 "[ . 1 . 2]" 1
366 1 24 LEU QD 1 38 MET ME 2.710 . 2.710 2.172 1.908 2.540 . 0 0 "[ . 1 . 2]" 1
367 1 24 LEU QD 1 39 VAL H 4.840 . 4.840 3.811 3.374 4.182 . 0 0 "[ . 1 . 2]" 1
368 1 24 LEU QD 1 39 VAL HA 4.750 . 4.750 3.183 2.883 3.511 . 0 0 "[ . 1 . 2]" 1
369 1 24 LEU QD 1 39 VAL MG1 4.510 . 4.510 3.211 2.881 3.593 . 0 0 "[ . 1 . 2]" 1
370 1 24 LEU QD 1 39 VAL MG2 2.840 . 2.840 1.863 1.705 2.049 . 0 0 "[ . 1 . 2]" 1
371 1 24 LEU QD 1 43 TYR HD2 4.870 . 4.870 3.652 3.356 4.293 . 0 0 "[ . 1 . 2]" 1
372 1 24 LEU QD 1 43 TYR HE2 3.010 . 3.010 2.076 1.915 2.568 . 0 0 "[ . 1 . 2]" 1
373 1 24 LEU QD 1 52 TRP HH2 4.060 . 4.060 2.009 1.839 2.358 . 0 0 "[ . 1 . 2]" 1
374 1 24 LEU QD 1 52 TRP HZ2 3.880 . 3.880 2.842 2.146 3.843 . 0 0 "[ . 1 . 2]" 1
375 1 24 LEU MD1 1 25 THR H 5.500 . 5.500 4.800 3.482 5.058 . 0 0 "[ . 1 . 2]" 1
376 1 24 LEU MD1 1 38 MET ME 3.490 . 3.490 2.550 1.916 3.638 0.148 8 0 "[ . 1 . 2]" 1
377 1 24 LEU MD1 1 39 VAL MG2 3.310 . 3.310 1.993 1.785 2.435 . 0 0 "[ . 1 . 2]" 1
378 1 24 LEU MD1 1 43 TYR HE2 3.820 . 3.820 3.495 1.976 3.888 0.068 7 0 "[ . 1 . 2]" 1
379 1 24 LEU MD1 1 52 TRP HH2 4.830 . 4.830 2.275 1.842 4.216 . 0 0 "[ . 1 . 2]" 1
380 1 24 LEU MD1 1 52 TRP HZ2 4.450 . 4.450 3.045 2.151 4.594 0.144 4 0 "[ . 1 . 2]" 1
381 1 24 LEU MD2 1 25 THR H 5.500 . 5.500 3.729 3.401 4.917 . 0 0 "[ . 1 . 2]" 1
382 1 24 LEU MD2 1 38 MET ME 3.290 . 3.290 2.536 2.008 3.604 0.314 4 0 "[ . 1 . 2]" 1
383 1 24 LEU MD2 1 39 VAL MG2 3.310 . 3.310 2.364 1.877 2.932 . 0 0 "[ . 1 . 2]" 1
384 1 24 LEU MD2 1 43 TYR HE2 3.820 . 3.820 2.298 1.922 3.851 0.031 8 0 "[ . 1 . 2]" 1
385 1 24 LEU MD2 1 52 TRP HH2 4.830 . 4.830 4.050 2.022 4.801 . 0 0 "[ . 1 . 2]" 1
386 1 24 LEU MD2 1 52 TRP HZ2 4.450 . 4.450 4.362 2.557 4.681 0.231 17 0 "[ . 1 . 2]" 1
387 1 25 THR H 1 25 THR HB 3.400 . 3.400 2.777 2.558 2.970 . 0 0 "[ . 1 . 2]" 1
388 1 25 THR H 1 25 THR MG 3.880 . 3.880 3.858 3.806 3.895 0.015 3 0 "[ . 1 . 2]" 1
389 1 25 THR H 1 26 VAL H 4.310 . 4.310 4.270 4.205 4.322 0.012 16 0 "[ . 1 . 2]" 1
390 1 25 THR H 1 26 VAL MG1 3.760 . 3.760 3.354 3.156 3.520 . 0 0 "[ . 1 . 2]" 1
391 1 25 THR H 1 26 VAL MG2 4.930 . 4.930 4.433 4.110 4.928 . 0 0 "[ . 1 . 2]" 1
392 1 25 THR H 1 38 MET ME 3.890 . 3.890 3.554 3.052 3.947 0.057 15 0 "[ . 1 . 2]" 1
393 1 25 THR HA 1 25 THR MG 3.300 . 3.300 2.216 2.081 2.371 . 0 0 "[ . 1 . 2]" 1
394 1 25 THR HA 1 26 VAL H 3.290 . 3.290 2.141 2.105 2.177 . 0 0 "[ . 1 . 2]" 1
395 1 25 THR HA 1 26 VAL MG1 4.650 . 4.650 3.812 3.328 3.998 . 0 0 "[ . 1 . 2]" 1
396 1 25 THR HA 1 26 VAL MG2 4.360 . 4.360 3.430 3.282 3.627 . 0 0 "[ . 1 . 2]" 1
397 1 25 THR HB 1 26 VAL H 4.490 . 4.490 4.163 3.986 4.258 . 0 0 "[ . 1 . 2]" 1
398 1 25 THR MG 1 26 VAL H 3.320 . 3.320 2.944 2.659 3.127 . 0 0 "[ . 1 . 2]" 1
399 1 25 THR MG 1 26 VAL MG2 5.060 . 5.060 4.405 4.270 4.571 . 0 0 "[ . 1 . 2]" 1
400 1 26 VAL H 1 26 VAL MG1 3.710 . 3.710 3.161 2.770 3.316 . 0 0 "[ . 1 . 2]" 1
401 1 26 VAL H 1 26 VAL MG2 3.140 . 3.140 2.165 2.058 2.316 . 0 0 "[ . 1 . 2]" 1
402 1 26 VAL H 1 27 ARG H 5.160 . 5.160 4.310 4.271 4.375 . 0 0 "[ . 1 . 2]" 1
403 1 26 VAL HA 1 27 ARG H 3.400 . 3.400 2.631 2.440 2.723 . 0 0 "[ . 1 . 2]" 1
404 1 26 VAL HA 1 30 MET ME 5.140 . 5.140 4.328 3.363 4.732 . 0 0 "[ . 1 . 2]" 1
405 1 26 VAL HB 1 27 ARG H 3.170 . 3.170 1.973 1.806 2.328 . 0 0 "[ . 1 . 2]" 1
406 1 26 VAL MG1 1 27 ARG H 3.760 . 3.760 3.506 3.365 3.674 . 0 0 "[ . 1 . 2]" 1
407 1 26 VAL MG1 1 30 MET ME 3.080 . 3.080 2.135 2.005 2.461 . 0 0 "[ . 1 . 2]" 1
408 1 26 VAL MG1 1 35 LEU MD1 4.310 . 4.310 2.507 1.862 3.879 . 0 0 "[ . 1 . 2]" 1
409 1 26 VAL MG1 1 35 LEU QD 2.960 . 2.960 2.121 1.718 2.616 . 0 0 "[ . 1 . 2]" 1
410 1 26 VAL MG1 1 35 LEU MD2 4.310 . 4.310 3.326 1.724 4.290 . 0 0 "[ . 1 . 2]" 1
411 1 26 VAL MG1 1 38 MET ME 2.710 . 2.710 1.968 1.756 2.457 . 0 0 "[ . 1 . 2]" 1
412 1 26 VAL MG2 1 27 ARG H 3.260 . 3.260 3.058 2.677 3.345 0.085 11 0 "[ . 1 . 2]" 1
413 1 26 VAL MG2 1 27 ARG HA 5.140 . 5.140 3.849 3.367 4.087 . 0 0 "[ . 1 . 2]" 1
414 1 26 VAL MG2 1 29 ASP H 5.500 . 5.500 5.586 5.393 5.689 0.189 14 0 "[ . 1 . 2]" 1
415 1 26 VAL MG2 1 30 MET H 5.370 . 5.370 4.637 4.324 4.879 . 0 0 "[ . 1 . 2]" 1
416 1 26 VAL MG2 1 30 MET QB 4.020 . 4.020 3.245 2.835 3.663 . 0 0 "[ . 1 . 2]" 1
417 1 26 VAL MG2 1 30 MET ME 3.560 . 3.560 3.469 2.899 3.716 0.156 11 0 "[ . 1 . 2]" 1
418 1 26 VAL MG2 1 30 MET QG 5.340 . 5.340 4.199 2.703 4.877 . 0 0 "[ . 1 . 2]" 1
419 1 27 ARG H 1 27 ARG QD 3.970 . 3.970 2.360 1.666 3.598 0.034 10 0 "[ . 1 . 2]" 1
420 1 27 ARG H 1 27 ARG QG 3.530 . 3.530 2.084 1.683 2.550 0.017 12 0 "[ . 1 . 2]" 1
421 1 27 ARG H 1 29 ASP H 4.680 . 4.680 4.628 4.522 4.763 0.083 12 0 "[ . 1 . 2]" 1
422 1 27 ARG H 1 30 MET H 4.270 . 4.270 3.655 3.339 4.005 . 0 0 "[ . 1 . 2]" 1
423 1 27 ARG H 1 30 MET ME 4.270 . 4.270 4.170 3.518 4.388 0.118 9 0 "[ . 1 . 2]" 1
424 1 27 ARG H 1 30 MET QG 4.360 . 4.360 3.068 2.353 4.372 0.012 3 0 "[ . 1 . 2]" 1
425 1 27 ARG HA 1 27 ARG QG 3.490 . 3.490 3.401 3.275 3.479 . 0 0 "[ . 1 . 2]" 1
426 1 27 ARG HB2 1 27 ARG HD2 4.290 . 4.290 3.742 3.366 4.076 . 0 0 "[ . 1 . 2]" 1
427 1 27 ARG HB2 1 27 ARG QD 3.690 . 3.690 3.426 3.114 3.672 . 0 0 "[ . 1 . 2]" 1
428 1 27 ARG HB2 1 27 ARG HD3 4.290 . 4.290 4.019 3.422 4.211 . 0 0 "[ . 1 . 2]" 1
429 1 27 ARG HB2 1 28 PRO QD 3.960 . 3.960 2.361 2.098 2.589 . 0 0 "[ . 1 . 2]" 1
430 1 27 ARG HB2 1 29 ASP H 3.470 . 3.470 2.448 2.233 2.695 . 0 0 "[ . 1 . 2]" 1
431 1 27 ARG HB2 1 30 MET H 4.060 . 4.060 3.780 3.218 4.087 0.027 1 0 "[ . 1 . 2]" 1
432 1 27 ARG HB3 1 27 ARG QD 3.770 . 3.770 2.511 2.032 3.013 . 0 0 "[ . 1 . 2]" 1
433 1 27 ARG HB3 1 28 PRO QD 3.910 . 3.910 3.277 2.984 3.561 . 0 0 "[ . 1 . 2]" 1
434 1 27 ARG QD 1 30 MET H 4.910 . 4.910 4.306 3.577 4.826 . 0 0 "[ . 1 . 2]" 1
435 1 27 ARG QD 1 30 MET ME 4.890 . 4.890 4.476 3.870 5.107 0.217 14 0 "[ . 1 . 2]" 1
436 1 27 ARG QD 1 30 MET QG 4.690 . 4.690 2.913 2.050 4.554 . 0 0 "[ . 1 . 2]" 1
437 1 27 ARG HD2 1 29 ASP H 5.500 . 5.500 5.428 5.142 5.610 0.110 14 0 "[ . 1 . 2]" 1
438 1 27 ARG HD3 1 29 ASP H 5.500 . 5.500 5.469 5.249 5.628 0.128 6 0 "[ . 1 . 2]" 1
439 1 27 ARG QG 1 29 ASP H 4.790 . 4.790 2.970 2.754 3.329 . 0 0 "[ . 1 . 2]" 1
440 1 27 ARG QG 1 30 MET H 3.730 . 3.730 2.409 1.875 2.901 . 0 0 "[ . 1 . 2]" 1
441 1 27 ARG QG 1 30 MET QB 4.540 . 4.540 2.746 2.116 3.341 . 0 0 "[ . 1 . 2]" 1
442 1 27 ARG QG 1 30 MET QG 5.010 . 5.010 2.444 1.811 4.560 . 0 0 "[ . 1 . 2]" 1
443 1 27 ARG HG2 1 29 ASP H 5.500 . 5.500 3.436 2.902 4.320 . 0 0 "[ . 1 . 2]" 1
444 1 27 ARG HG3 1 29 ASP H 5.500 . 5.500 3.356 2.934 3.868 . 0 0 "[ . 1 . 2]" 1
445 1 28 PRO HA 1 65 LEU HB2 4.230 . 4.230 2.127 1.913 2.272 . 0 0 "[ . 1 . 2]" 1
446 1 28 PRO HA 1 65 LEU QB 3.610 . 3.610 2.092 1.865 2.241 . 0 0 "[ . 1 . 2]" 1
447 1 28 PRO HA 1 65 LEU HB3 4.230 . 4.230 3.128 2.583 3.592 . 0 0 "[ . 1 . 2]" 1
448 1 28 PRO HA 1 65 LEU MD1 3.870 . 3.870 3.248 2.775 3.553 . 0 0 "[ . 1 . 2]" 1
449 1 28 PRO HA 1 65 LEU HG 4.450 . 4.450 4.392 4.077 4.566 0.116 16 0 "[ . 1 . 2]" 1
450 1 28 PRO HA 1 66 HIS H 4.080 . 4.080 3.110 2.754 3.640 . 0 0 "[ . 1 . 2]" 1
451 1 28 PRO QB 1 66 HIS H 4.650 . 4.650 3.324 3.060 3.560 . 0 0 "[ . 1 . 2]" 1
452 1 28 PRO QB 1 66 HIS HA 4.640 . 4.640 2.800 2.239 3.178 . 0 0 "[ . 1 . 2]" 1
453 1 28 PRO QB 1 66 HIS QB 3.630 . 3.630 2.289 1.930 3.488 . 0 0 "[ . 1 . 2]" 1
454 1 28 PRO QB 1 66 HIS HD2 4.340 . 4.340 2.635 2.147 3.538 . 0 0 "[ . 1 . 2]" 1
455 1 28 PRO QB 1 70 VAL QG 4.090 . 4.090 3.529 2.089 4.192 0.102 20 0 "[ . 1 . 2]" 1
456 1 28 PRO QB 1 71 ARG HA 4.010 . 4.010 2.668 1.951 3.464 . 0 0 "[ . 1 . 2]" 1
457 1 28 PRO QD 1 29 ASP H 3.740 . 3.740 2.682 2.596 2.822 . 0 0 "[ . 1 . 2]" 1
458 1 28 PRO HG2 1 29 ASP H 4.270 . 4.270 3.986 2.705 4.288 0.018 17 0 "[ . 1 . 2]" 1
459 1 28 PRO HG2 1 71 ARG HA 3.990 . 3.990 3.422 2.590 4.158 0.168 5 0 "[ . 1 . 2]" 1
460 1 28 PRO HG3 1 66 HIS HA 5.500 . 5.500 4.865 4.294 5.549 0.049 3 0 "[ . 1 . 2]" 1
461 1 28 PRO HG3 1 70 VAL QG 3.860 . 3.860 3.620 2.298 3.962 0.102 9 0 "[ . 1 . 2]" 1
462 1 29 ASP H 1 29 ASP HB2 3.470 . 3.470 2.634 2.308 3.628 0.158 16 0 "[ . 1 . 2]" 1
463 1 29 ASP H 1 29 ASP QB 3.030 . 3.030 2.363 2.192 2.814 . 0 0 "[ . 1 . 2]" 1
464 1 29 ASP H 1 29 ASP HB3 3.470 . 3.470 2.923 2.436 3.580 0.110 7 0 "[ . 1 . 2]" 1
465 1 29 ASP H 1 30 MET H 2.980 . 2.980 2.549 2.491 2.628 . 0 0 "[ . 1 . 2]" 1
466 1 29 ASP H 1 30 MET HA 5.500 . 5.500 5.092 4.993 5.228 . 0 0 "[ . 1 . 2]" 1
467 1 29 ASP H 1 30 MET QB 4.540 . 4.540 4.359 4.120 4.544 0.004 11 0 "[ . 1 . 2]" 1
468 1 29 ASP H 1 64 THR MG 4.410 . 4.410 4.304 3.893 4.629 0.219 19 0 "[ . 1 . 2]" 1
469 1 29 ASP H 1 65 LEU MD1 4.620 . 4.620 4.645 4.372 4.744 0.124 9 0 "[ . 1 . 2]" 1
470 1 29 ASP HA 1 30 MET H 3.610 . 3.610 3.419 3.217 3.519 . 0 0 "[ . 1 . 2]" 1
471 1 29 ASP HA 1 64 THR MG 4.190 . 4.190 2.213 1.886 2.610 . 0 0 "[ . 1 . 2]" 1
472 1 29 ASP HA 1 66 HIS H 4.490 . 4.490 4.153 3.559 4.511 0.021 13 0 "[ . 1 . 2]" 1
473 1 29 ASP HB2 1 64 THR MG 4.530 . 4.530 4.223 2.979 4.674 0.144 8 0 "[ . 1 . 2]" 1
474 1 29 ASP HB3 1 64 THR MG 4.530 . 4.530 4.110 3.473 4.624 0.094 20 0 "[ . 1 . 2]" 1
475 1 30 MET H 1 30 MET QB 2.890 . 2.890 2.190 2.061 2.317 . 0 0 "[ . 1 . 2]" 1
476 1 30 MET H 1 30 MET ME 4.900 . 4.900 4.828 4.653 5.097 0.197 3 0 "[ . 1 . 2]" 1
477 1 30 MET H 1 30 MET HG2 4.170 . 4.170 3.887 3.219 4.370 0.200 9 0 "[ . 1 . 2]" 1
478 1 30 MET H 1 30 MET QG 3.650 . 3.650 3.130 2.590 3.795 0.145 9 0 "[ . 1 . 2]" 1
479 1 30 MET H 1 30 MET HG3 4.170 . 4.170 3.473 2.632 4.170 . 0 0 "[ . 1 . 2]" 1
480 1 30 MET H 1 31 THR H 4.790 . 4.790 4.559 4.499 4.644 . 0 0 "[ . 1 . 2]" 1
481 1 30 MET H 1 65 LEU H 4.320 . 4.320 3.864 3.400 4.239 . 0 0 "[ . 1 . 2]" 1
482 1 30 MET H 1 65 LEU QB 4.310 . 4.310 3.529 3.121 3.986 . 0 0 "[ . 1 . 2]" 1
483 1 30 MET H 1 65 LEU MD1 3.630 . 3.630 3.182 2.979 3.367 . 0 0 "[ . 1 . 2]" 1
484 1 30 MET H 1 65 LEU MD2 5.500 . 5.500 5.130 4.777 5.340 . 0 0 "[ . 1 . 2]" 1
485 1 30 MET H 1 65 LEU HG 3.980 . 3.980 3.745 3.248 4.033 0.053 8 0 "[ . 1 . 2]" 1
486 1 30 MET H 1 66 HIS H 5.380 . 5.380 4.683 4.218 5.096 . 0 0 "[ . 1 . 2]" 1
487 1 30 MET HA 1 30 MET ME 4.420 . 4.420 3.847 3.645 4.136 . 0 0 "[ . 1 . 2]" 1
488 1 30 MET HA 1 30 MET QG 3.780 . 3.780 2.272 2.020 3.124 . 0 0 "[ . 1 . 2]" 1
489 1 30 MET HA 1 31 THR H 3.150 . 3.150 2.338 2.129 2.564 . 0 0 "[ . 1 . 2]" 1
490 1 30 MET HA 1 31 THR MG 5.010 . 5.010 4.799 3.620 5.280 0.270 5 0 "[ . 1 . 2]" 1
491 1 30 MET QB 1 31 THR H 3.670 . 3.670 2.510 2.048 3.435 . 0 0 "[ . 1 . 2]" 1
492 1 30 MET QB 1 64 THR MG 5.340 . 5.340 4.546 4.147 4.928 . 0 0 "[ . 1 . 2]" 1
493 1 30 MET QB 1 65 LEU HG 5.160 . 5.160 2.564 2.198 2.793 . 0 0 "[ . 1 . 2]" 1
494 1 30 MET HB2 1 65 LEU MD1 3.780 . 3.780 2.173 1.905 3.163 . 0 0 "[ . 1 . 2]" 1
495 1 30 MET HB3 1 65 LEU MD1 3.780 . 3.780 2.291 1.873 2.651 . 0 0 "[ . 1 . 2]" 1
496 1 30 MET ME 1 30 MET HG2 3.650 . 3.650 2.626 2.032 3.345 . 0 0 "[ . 1 . 2]" 1
497 1 30 MET ME 1 30 MET QG 3.170 . 3.170 2.205 2.001 2.329 . 0 0 "[ . 1 . 2]" 1
498 1 30 MET ME 1 30 MET HG3 3.650 . 3.650 2.912 2.124 3.371 . 0 0 "[ . 1 . 2]" 1
499 1 30 MET ME 1 31 THR H 4.280 . 4.280 3.205 2.695 3.610 . 0 0 "[ . 1 . 2]" 1
500 1 30 MET ME 1 31 THR MG 4.730 . 4.730 4.493 3.561 5.067 0.337 9 0 "[ . 1 . 2]" 1
501 1 30 MET ME 1 32 VAL HA 5.410 . 5.410 4.809 4.311 5.326 . 0 0 "[ . 1 . 2]" 1
502 1 30 MET ME 1 34 SER H 4.550 . 4.550 4.375 3.939 4.661 0.111 17 0 "[ . 1 . 2]" 1
503 1 30 MET ME 1 34 SER QB 3.260 . 3.260 2.189 1.790 2.663 . 0 0 "[ . 1 . 2]" 1
504 1 30 MET ME 1 35 LEU H 3.640 . 3.640 3.032 2.436 3.387 . 0 0 "[ . 1 . 2]" 1
505 1 30 MET ME 1 35 LEU HA 3.490 . 3.490 2.498 1.959 3.146 . 0 0 "[ . 1 . 2]" 1
506 1 30 MET ME 1 35 LEU QB 3.590 . 3.590 2.852 2.098 3.917 0.327 14 0 "[ . 1 . 2]" 1
507 1 30 MET ME 1 35 LEU MD1 3.810 . 3.810 2.779 2.175 3.939 0.129 18 0 "[ . 1 . 2]" 1
508 1 30 MET ME 1 35 LEU QD 3.310 . 3.310 2.440 1.887 3.075 . 0 0 "[ . 1 . 2]" 1
509 1 30 MET ME 1 35 LEU MD2 3.810 . 3.810 3.504 1.907 4.001 0.191 8 0 "[ . 1 . 2]" 1
510 1 30 MET ME 1 38 MET QG 5.340 . 5.340 2.860 2.360 3.591 . 0 0 "[ . 1 . 2]" 1
511 1 30 MET QG 1 31 THR MG 5.490 . 5.490 5.180 4.298 5.747 0.257 2 0 "[ . 1 . 2]" 1
512 1 30 MET QG 1 65 LEU MD1 4.020 . 4.020 3.422 1.929 3.748 . 0 0 "[ . 1 . 2]" 1
513 1 30 MET QG 1 65 LEU MD2 5.340 . 5.340 4.939 2.192 5.455 0.115 1 0 "[ . 1 . 2]" 1
514 1 30 MET QG 1 65 LEU HG 5.500 . 5.500 4.415 2.293 4.850 . 0 0 "[ . 1 . 2]" 1
515 1 30 MET HG2 1 31 THR H 4.390 . 4.390 3.360 2.760 4.073 . 0 0 "[ . 1 . 2]" 1
516 1 30 MET HG2 1 65 LEU MD1 4.630 . 4.630 4.052 2.032 4.436 . 0 0 "[ . 1 . 2]" 1
517 1 30 MET HG3 1 31 THR H 4.390 . 4.390 4.077 2.400 4.465 0.075 11 0 "[ . 1 . 2]" 1
518 1 30 MET HG3 1 65 LEU MD1 4.630 . 4.630 3.719 2.346 4.110 . 0 0 "[ . 1 . 2]" 1
519 1 31 THR H 1 31 THR MG 3.580 . 3.580 3.068 2.090 3.676 0.096 20 0 "[ . 1 . 2]" 1
520 1 31 THR H 1 34 SER H 4.210 . 4.210 3.946 3.459 4.219 0.009 9 0 "[ . 1 . 2]" 1
521 1 31 THR H 1 34 SER HB2 4.760 . 4.760 2.753 2.358 3.767 . 0 0 "[ . 1 . 2]" 1
522 1 31 THR H 1 34 SER QB 4.060 . 4.060 2.677 2.339 3.306 . 0 0 "[ . 1 . 2]" 1
523 1 31 THR H 1 34 SER HB3 4.760 . 4.760 3.967 3.498 4.447 . 0 0 "[ . 1 . 2]" 1
524 1 31 THR H 1 64 THR HA 4.970 . 4.970 4.406 4.126 4.749 . 0 0 "[ . 1 . 2]" 1
525 1 31 THR H 1 64 THR MG 5.500 . 5.500 4.476 3.926 5.000 . 0 0 "[ . 1 . 2]" 1
526 1 31 THR H 1 65 LEU MD2 4.350 . 4.350 4.448 4.265 4.606 0.256 19 0 "[ . 1 . 2]" 1
527 1 31 THR HA 1 34 SER H 4.690 . 4.690 4.636 4.401 4.881 0.191 12 0 "[ . 1 . 2]" 1
528 1 31 THR HA 1 64 THR H 4.990 . 4.990 4.430 4.162 4.775 . 0 0 "[ . 1 . 2]" 1
529 1 31 THR HB 1 33 ALA H 5.060 . 5.060 4.488 3.809 4.831 . 0 0 "[ . 1 . 2]" 1
530 1 31 THR MG 1 32 VAL H 4.590 . 4.590 2.616 2.103 3.481 . 0 0 "[ . 1 . 2]" 1
531 1 31 THR MG 1 32 VAL HA 4.320 . 4.320 4.080 3.880 4.489 0.169 1 0 "[ . 1 . 2]" 1
532 1 31 THR MG 1 32 VAL HB 4.900 . 4.900 3.802 3.333 4.776 . 0 0 "[ . 1 . 2]" 1
533 1 31 THR MG 1 32 VAL QG 4.890 . 4.890 3.798 3.475 4.369 . 0 0 "[ . 1 . 2]" 1
534 1 31 THR MG 1 33 ALA H 3.470 . 3.470 2.120 1.845 2.903 . 0 0 "[ . 1 . 2]" 1
535 1 31 THR MG 1 33 ALA HA 4.250 . 4.250 3.918 3.736 4.318 0.068 1 0 "[ . 1 . 2]" 1
536 1 31 THR MG 1 35 LEU H 4.590 . 4.590 3.526 2.891 4.126 . 0 0 "[ . 1 . 2]" 1
537 1 31 THR MG 1 62 GLN HA 3.490 . 3.490 2.443 1.777 3.460 . 0 0 "[ . 1 . 2]" 1
538 1 31 THR MG 1 62 GLN QB 5.030 . 5.030 3.876 3.122 4.996 . 0 0 "[ . 1 . 2]" 1
539 1 31 THR MG 1 62 GLN QG 4.440 . 4.440 3.941 3.199 4.692 0.252 12 0 "[ . 1 . 2]" 1
540 1 32 VAL H 1 32 VAL QG 4.080 . 4.080 2.139 2.016 2.319 . 0 0 "[ . 1 . 2]" 1
541 1 32 VAL H 1 33 ALA H 3.730 . 3.730 2.738 2.623 2.842 . 0 0 "[ . 1 . 2]" 1
542 1 32 VAL H 1 34 SER H 4.820 . 4.820 4.235 4.032 4.398 . 0 0 "[ . 1 . 2]" 1
543 1 32 VAL HA 1 32 VAL MG1 3.510 . 3.510 2.409 2.348 2.545 . 0 0 "[ . 1 . 2]" 1
544 1 32 VAL HA 1 32 VAL MG2 3.510 . 3.510 2.334 2.167 2.425 . 0 0 "[ . 1 . 2]" 1
545 1 32 VAL HA 1 35 LEU H 3.970 . 3.970 3.126 2.919 3.281 . 0 0 "[ . 1 . 2]" 1
546 1 32 VAL HA 1 35 LEU HB2 4.230 . 4.230 2.817 2.163 3.257 . 0 0 "[ . 1 . 2]" 1
547 1 32 VAL HA 1 35 LEU QB 3.610 . 3.610 2.114 1.850 2.683 . 0 0 "[ . 1 . 2]" 1
548 1 32 VAL HA 1 35 LEU HB3 4.230 . 4.230 2.525 1.909 4.332 0.102 6 0 "[ . 1 . 2]" 1
549 1 32 VAL HA 1 35 LEU MD1 5.180 . 5.180 4.163 2.280 4.834 . 0 0 "[ . 1 . 2]" 1
550 1 32 VAL HA 1 35 LEU QD 3.650 . 3.650 2.896 2.273 3.164 . 0 0 "[ . 1 . 2]" 1
551 1 32 VAL HA 1 35 LEU MD2 5.180 . 5.180 3.428 2.786 4.907 . 0 0 "[ . 1 . 2]" 1
552 1 32 VAL HA 1 35 LEU HG 4.270 . 4.270 4.116 3.225 4.406 0.136 18 0 "[ . 1 . 2]" 1
553 1 32 VAL HA 1 36 LYS H 4.600 . 4.600 3.707 3.358 4.378 . 0 0 "[ . 1 . 2]" 1
554 1 32 VAL HA 1 65 LEU MD2 3.890 . 3.890 2.534 2.028 3.469 . 0 0 "[ . 1 . 2]" 1
555 1 32 VAL HB 1 33 ALA H 3.710 . 3.710 2.563 2.484 2.781 . 0 0 "[ . 1 . 2]" 1
556 1 32 VAL HB 1 33 ALA HA 4.850 . 4.850 4.360 4.213 4.545 . 0 0 "[ . 1 . 2]" 1
557 1 32 VAL HB 1 61 ASP HA 4.180 . 4.180 2.358 1.836 3.029 . 0 0 "[ . 1 . 2]" 1
558 1 32 VAL QG 1 33 ALA H 3.440 . 3.440 3.136 3.070 3.220 . 0 0 "[ . 1 . 2]" 1
559 1 32 VAL QG 1 33 ALA HA 4.180 . 4.180 3.401 3.251 3.555 . 0 0 "[ . 1 . 2]" 1
560 1 32 VAL QG 1 33 ALA MB 4.200 . 4.200 3.967 3.868 4.053 . 0 0 "[ . 1 . 2]" 1
561 1 32 VAL QG 1 34 SER H 4.580 . 4.580 4.609 4.454 4.717 0.137 16 0 "[ . 1 . 2]" 1
562 1 32 VAL QG 1 35 LEU QB 4.580 . 4.580 2.943 2.610 3.140 . 0 0 "[ . 1 . 2]" 1
563 1 32 VAL QG 1 35 LEU QD 4.800 . 4.800 2.906 2.374 3.186 . 0 0 "[ . 1 . 2]" 1
564 1 32 VAL QG 1 36 LYS H 4.190 . 4.190 3.468 3.273 3.904 . 0 0 "[ . 1 . 2]" 1
565 1 32 VAL QG 1 36 LYS QB 4.260 . 4.260 3.242 2.481 4.300 0.040 18 0 "[ . 1 . 2]" 1
566 1 32 VAL QG 1 36 LYS QE 3.960 . 3.960 3.437 2.051 4.183 0.223 3 0 "[ . 1 . 2]" 1
567 1 32 VAL QG 1 36 LYS QG 4.610 . 4.610 3.536 2.020 4.507 . 0 0 "[ . 1 . 2]" 1
568 1 32 VAL QG 1 52 TRP HD1 4.630 . 4.630 4.137 3.384 4.721 0.091 18 0 "[ . 1 . 2]" 1
569 1 32 VAL QG 1 61 ASP HA 3.630 . 3.630 2.657 2.173 3.221 . 0 0 "[ . 1 . 2]" 1
570 1 32 VAL QG 1 61 ASP QB 4.340 . 4.340 3.287 2.283 4.265 . 0 0 "[ . 1 . 2]" 1
571 1 33 ALA H 1 33 ALA MB 3.120 . 3.120 2.186 2.077 2.283 . 0 0 "[ . 1 . 2]" 1
572 1 33 ALA H 1 34 SER H 3.650 . 3.650 2.817 2.713 2.930 . 0 0 "[ . 1 . 2]" 1
573 1 33 ALA H 1 36 LYS H 5.410 . 5.410 4.505 4.289 4.873 . 0 0 "[ . 1 . 2]" 1
574 1 33 ALA H 1 36 LYS QB 5.120 . 5.120 4.684 4.199 5.271 0.151 9 0 "[ . 1 . 2]" 1
575 1 33 ALA H 1 61 ASP HA 4.100 . 4.100 3.370 2.347 3.951 . 0 0 "[ . 1 . 2]" 1
576 1 33 ALA H 1 61 ASP HB2 5.000 . 5.000 3.870 2.520 5.046 0.046 1 0 "[ . 1 . 2]" 1
577 1 33 ALA H 1 61 ASP QB 4.300 . 4.300 3.007 2.451 3.932 . 0 0 "[ . 1 . 2]" 1
578 1 33 ALA H 1 61 ASP HB3 5.000 . 5.000 3.631 2.486 5.020 0.020 18 0 "[ . 1 . 2]" 1
579 1 33 ALA H 1 62 GLN H 5.500 . 5.500 4.513 4.252 4.835 . 0 0 "[ . 1 . 2]" 1
580 1 33 ALA H 1 62 GLN HA 4.180 . 4.180 3.555 3.167 4.169 . 0 0 "[ . 1 . 2]" 1
581 1 33 ALA HA 1 36 LYS QB 3.640 . 3.640 2.634 2.015 3.778 0.138 11 0 "[ . 1 . 2]" 1
582 1 33 ALA HA 1 36 LYS QG 4.810 . 4.810 3.700 2.016 4.568 . 0 0 "[ . 1 . 2]" 1
583 1 33 ALA MB 1 34 SER H 3.290 . 3.290 2.491 2.367 2.600 . 0 0 "[ . 1 . 2]" 1
584 1 33 ALA MB 1 35 LEU H 5.020 . 5.020 4.422 4.269 4.593 . 0 0 "[ . 1 . 2]" 1
585 1 33 ALA MB 1 61 ASP HA 4.320 . 4.320 3.766 3.107 4.129 . 0 0 "[ . 1 . 2]" 1
586 1 33 ALA MB 1 61 ASP HB2 3.550 . 3.550 2.787 2.069 3.670 0.120 1 0 "[ . 1 . 2]" 1
587 1 33 ALA MB 1 61 ASP QB 2.990 . 2.990 2.145 1.814 2.544 . 0 0 "[ . 1 . 2]" 1
588 1 33 ALA MB 1 61 ASP HB3 3.550 . 3.550 2.659 1.825 3.742 0.192 15 0 "[ . 1 . 2]" 1
589 1 34 SER H 1 34 SER HB2 4.000 . 4.000 2.737 2.516 3.602 . 0 0 "[ . 1 . 2]" 1
590 1 34 SER H 1 34 SER QB 3.350 . 3.350 2.590 2.470 2.801 . 0 0 "[ . 1 . 2]" 1
591 1 34 SER H 1 34 SER HB3 4.000 . 4.000 3.494 2.745 3.637 . 0 0 "[ . 1 . 2]" 1
592 1 34 SER H 1 35 LEU H 3.530 . 3.530 2.596 2.498 2.690 . 0 0 "[ . 1 . 2]" 1
593 1 34 SER HA 1 37 ASP H 3.900 . 3.900 3.404 3.135 3.681 . 0 0 "[ . 1 . 2]" 1
594 1 34 SER HA 1 37 ASP HB2 4.280 . 4.280 3.022 2.332 3.612 . 0 0 "[ . 1 . 2]" 1
595 1 34 SER HA 1 37 ASP QB 3.600 . 3.600 2.526 2.165 3.142 . 0 0 "[ . 1 . 2]" 1
596 1 34 SER HA 1 37 ASP HB3 4.280 . 4.280 3.037 2.286 4.319 0.039 3 0 "[ . 1 . 2]" 1
597 1 34 SER QB 1 35 LEU H 3.660 . 3.660 2.601 2.411 3.353 . 0 0 "[ . 1 . 2]" 1
598 1 35 LEU H 1 35 LEU HB2 3.650 . 3.650 2.478 2.098 2.610 . 0 0 "[ . 1 . 2]" 1
599 1 35 LEU H 1 35 LEU HB3 3.650 . 3.650 2.737 2.451 3.603 . 0 0 "[ . 1 . 2]" 1
600 1 35 LEU H 1 35 LEU MD1 5.500 . 5.500 3.942 3.547 4.198 . 0 0 "[ . 1 . 2]" 1
601 1 35 LEU H 1 35 LEU QD 4.160 . 4.160 3.590 3.204 3.725 . 0 0 "[ . 1 . 2]" 1
602 1 35 LEU H 1 35 LEU MD2 5.500 . 5.500 4.140 3.614 4.299 . 0 0 "[ . 1 . 2]" 1
603 1 35 LEU H 1 35 LEU HG 4.430 . 4.430 4.028 2.428 4.453 0.023 10 0 "[ . 1 . 2]" 1
604 1 35 LEU H 1 36 LYS H 3.730 . 3.730 2.643 2.554 2.738 . 0 0 "[ . 1 . 2]" 1
605 1 35 LEU H 1 36 LYS QB 4.820 . 4.820 4.384 4.149 4.872 0.052 13 0 "[ . 1 . 2]" 1
606 1 35 LEU H 1 38 MET QG 5.340 . 5.340 4.155 3.958 4.581 . 0 0 "[ . 1 . 2]" 1
607 1 35 LEU HA 1 35 LEU MD1 4.420 . 4.420 2.477 2.011 3.806 . 0 0 "[ . 1 . 2]" 1
608 1 35 LEU HA 1 35 LEU QD 3.100 . 3.100 2.038 1.954 2.147 . 0 0 "[ . 1 . 2]" 1
609 1 35 LEU HA 1 35 LEU MD2 4.420 . 4.420 3.346 1.961 3.815 . 0 0 "[ . 1 . 2]" 1
610 1 35 LEU HA 1 35 LEU HG 4.060 . 4.060 3.037 2.484 3.177 . 0 0 "[ . 1 . 2]" 1
611 1 35 LEU HA 1 37 ASP H 4.470 . 4.470 4.321 4.232 4.532 0.062 20 0 "[ . 1 . 2]" 1
612 1 35 LEU HA 1 38 MET H 3.440 . 3.440 3.432 3.245 3.506 0.066 12 0 "[ . 1 . 2]" 1
613 1 35 LEU HA 1 38 MET HB3 4.810 . 4.810 4.693 3.556 4.987 0.177 11 0 "[ . 1 . 2]" 1
614 1 35 LEU HA 1 38 MET ME 3.770 . 3.770 2.790 2.308 3.601 . 0 0 "[ . 1 . 2]" 1
615 1 35 LEU HA 1 38 MET QG 3.920 . 3.920 2.094 1.931 2.769 . 0 0 "[ . 1 . 2]" 1
616 1 35 LEU QB 1 36 LYS H 4.070 . 4.070 2.505 2.417 2.592 . 0 0 "[ . 1 . 2]" 1
617 1 35 LEU QB 1 37 ASP H 4.990 . 4.990 4.612 4.477 4.702 . 0 0 "[ . 1 . 2]" 1
618 1 35 LEU QB 1 65 LEU MD2 4.130 . 4.130 2.463 1.834 4.096 . 0 0 "[ . 1 . 2]" 1
619 1 35 LEU QD 1 36 LYS H 4.160 . 4.160 3.893 3.784 4.083 . 0 0 "[ . 1 . 2]" 1
620 1 35 LEU QD 1 36 LYS QB 4.850 . 4.850 4.790 4.431 5.235 0.385 6 0 "[ . 1 . 2]" 1
621 1 35 LEU QD 1 38 MET H 5.440 . 5.440 4.345 4.120 4.789 . 0 0 "[ . 1 . 2]" 1
622 1 35 LEU QD 1 38 MET ME 2.650 . 2.650 1.773 1.711 1.922 . 0 0 "[ . 1 . 2]" 1
623 1 35 LEU QD 1 38 MET QG 4.520 . 4.520 2.916 2.324 3.693 . 0 0 "[ . 1 . 2]" 1
624 1 35 LEU QD 1 39 VAL H 4.200 . 4.200 3.960 3.539 4.337 0.137 6 0 "[ . 1 . 2]" 1
625 1 35 LEU QD 1 39 VAL MG2 3.110 . 3.110 2.758 2.149 3.252 0.142 8 0 "[ . 1 . 2]" 1
626 1 35 LEU QD 1 52 TRP HH2 3.740 . 3.740 2.329 1.938 2.715 . 0 0 "[ . 1 . 2]" 1
627 1 35 LEU QD 1 52 TRP HZ2 3.550 . 3.550 3.423 2.933 3.656 0.106 3 0 "[ . 1 . 2]" 1
628 1 35 LEU QD 1 52 TRP HZ3 3.990 . 3.990 2.560 2.253 2.857 . 0 0 "[ . 1 . 2]" 1
629 1 35 LEU QD 1 54 ILE MD 5.080 . 5.080 4.178 3.038 5.091 0.011 10 0 "[ . 1 . 2]" 1
630 1 35 LEU QD 1 65 LEU MD1 3.470 . 3.470 2.276 1.809 2.704 . 0 0 "[ . 1 . 2]" 1
631 1 35 LEU QD 1 65 LEU MD2 3.140 . 3.140 1.878 1.715 2.228 . 0 0 "[ . 1 . 2]" 1
632 1 35 LEU QD 1 65 LEU HG 5.440 . 5.440 3.781 3.376 4.195 . 0 0 "[ . 1 . 2]" 1
633 1 35 LEU QD 1 77 ALA MB 4.990 . 4.990 3.736 3.314 4.069 . 0 0 "[ . 1 . 2]" 1
634 1 35 LEU MD1 1 36 LYS H 4.840 . 4.840 4.386 4.278 4.588 . 0 0 "[ . 1 . 2]" 1
635 1 35 LEU MD1 1 38 MET ME 3.880 . 3.880 2.300 1.714 3.940 0.060 2 0 "[ . 1 . 2]" 1
636 1 35 LEU MD1 1 39 VAL MG2 4.350 . 4.350 3.109 2.337 4.374 0.024 19 0 "[ . 1 . 2]" 1
637 1 35 LEU MD1 1 52 TRP HZ2 4.300 . 4.300 3.903 3.429 4.350 0.050 18 0 "[ . 1 . 2]" 1
638 1 35 LEU MD1 1 52 TRP HZ3 4.730 . 4.730 4.026 2.354 4.786 0.056 13 0 "[ . 1 . 2]" 1
639 1 35 LEU MD2 1 36 LYS H 4.840 . 4.840 4.361 4.033 4.640 . 0 0 "[ . 1 . 2]" 1
640 1 35 LEU MD2 1 38 MET ME 3.880 . 3.880 3.374 1.765 3.945 0.065 12 0 "[ . 1 . 2]" 1
641 1 35 LEU MD2 1 39 VAL MG2 4.350 . 4.350 3.682 2.159 4.388 0.038 16 0 "[ . 1 . 2]" 1
642 1 35 LEU MD2 1 52 TRP HZ2 4.300 . 4.300 3.827 3.125 4.310 0.010 6 0 "[ . 1 . 2]" 1
643 1 35 LEU MD2 1 52 TRP HZ3 4.730 . 4.730 2.996 2.267 4.790 0.060 14 0 "[ . 1 . 2]" 1
644 1 36 LYS H 1 36 LYS QB 3.480 . 3.480 2.239 2.069 2.431 . 0 0 "[ . 1 . 2]" 1
645 1 36 LYS H 1 36 LYS QD 4.190 . 4.190 4.048 2.261 4.598 0.408 1 0 "[ . 1 . 2]" 1
646 1 36 LYS H 1 36 LYS QE 5.500 . 5.500 4.391 3.721 5.164 . 0 0 "[ . 1 . 2]" 1
647 1 36 LYS H 1 36 LYS HG2 5.280 . 5.280 3.852 2.248 4.413 . 0 0 "[ . 1 . 2]" 1
648 1 36 LYS H 1 36 LYS QG 4.550 . 4.550 3.247 2.222 4.024 . 0 0 "[ . 1 . 2]" 1
649 1 36 LYS H 1 36 LYS HG3 5.280 . 5.280 3.738 2.304 4.641 . 0 0 "[ . 1 . 2]" 1
650 1 36 LYS H 1 37 ASP H 3.380 . 3.380 2.603 2.490 2.725 . 0 0 "[ . 1 . 2]" 1
651 1 36 LYS HA 1 36 LYS QD 4.420 . 4.420 3.909 2.215 4.274 . 0 0 "[ . 1 . 2]" 1
652 1 36 LYS HA 1 39 VAL H 4.100 . 4.100 3.696 3.339 4.065 . 0 0 "[ . 1 . 2]" 1
653 1 36 LYS HA 1 39 VAL HB 4.270 . 4.270 2.828 2.277 3.623 . 0 0 "[ . 1 . 2]" 1
654 1 36 LYS HA 1 39 VAL MG2 4.140 . 4.140 2.834 2.384 3.651 . 0 0 "[ . 1 . 2]" 1
655 1 36 LYS QB 1 36 LYS QD 3.290 . 3.290 2.193 2.029 2.493 . 0 0 "[ . 1 . 2]" 1
656 1 36 LYS QB 1 37 ASP H 3.550 . 3.550 2.487 2.241 3.496 . 0 0 "[ . 1 . 2]" 1
657 1 36 LYS QD 1 37 ASP H 4.510 . 4.510 3.890 2.585 4.711 0.201 12 0 "[ . 1 . 2]" 1
658 1 37 ASP H 1 37 ASP HB2 3.710 . 3.710 2.457 2.248 2.658 . 0 0 "[ . 1 . 2]" 1
659 1 37 ASP H 1 37 ASP QB 3.120 . 3.120 2.262 2.224 2.412 . 0 0 "[ . 1 . 2]" 1
660 1 37 ASP H 1 37 ASP HB3 3.710 . 3.710 2.824 2.418 3.612 . 0 0 "[ . 1 . 2]" 1
661 1 37 ASP H 1 38 MET H 3.180 . 3.180 2.819 2.723 2.910 . 0 0 "[ . 1 . 2]" 1
662 1 37 ASP H 1 39 VAL H 4.250 . 4.250 4.129 3.935 4.295 0.045 8 0 "[ . 1 . 2]" 1
663 1 37 ASP QB 1 38 MET H 3.010 . 3.010 2.515 2.297 2.775 . 0 0 "[ . 1 . 2]" 1
664 1 38 MET H 1 38 MET HB3 3.370 . 3.370 3.329 2.398 3.582 0.212 10 0 "[ . 1 . 2]" 1
665 1 38 MET H 1 38 MET ME 5.050 . 5.050 3.964 3.638 4.941 . 0 0 "[ . 1 . 2]" 1
666 1 38 MET H 1 38 MET HG2 3.410 . 3.410 2.372 2.028 3.233 . 0 0 "[ . 1 . 2]" 1
667 1 38 MET H 1 38 MET QG 2.940 . 2.940 1.906 1.738 2.531 . 0 0 "[ . 1 . 2]" 1
668 1 38 MET H 1 38 MET HG3 3.410 . 3.410 2.096 1.797 3.583 0.173 20 0 "[ . 1 . 2]" 1
669 1 38 MET H 1 39 VAL H 3.320 . 3.320 2.618 2.530 2.747 . 0 0 "[ . 1 . 2]" 1
670 1 38 MET H 1 39 VAL MG2 4.640 . 4.640 4.206 3.964 4.467 . 0 0 "[ . 1 . 2]" 1
671 1 38 MET HA 1 38 MET QG 3.540 . 3.540 2.898 2.280 3.329 . 0 0 "[ . 1 . 2]" 1
672 1 38 MET HA 1 40 PHE H 4.090 . 4.090 4.165 4.067 4.209 0.119 5 0 "[ . 1 . 2]" 1
673 1 38 MET HA 1 41 LEU H 3.740 . 3.740 2.951 2.833 3.065 . 0 0 "[ . 1 . 2]" 1
674 1 38 MET HA 1 41 LEU HB3 4.560 . 4.560 3.853 3.645 4.094 . 0 0 "[ . 1 . 2]" 1
675 1 38 MET HA 1 41 LEU MD1 3.740 . 3.740 2.024 1.919 2.165 . 0 0 "[ . 1 . 2]" 1
676 1 38 MET HA 1 41 LEU HG 3.680 . 3.680 2.380 1.995 2.544 . 0 0 "[ . 1 . 2]" 1
677 1 38 MET HA 1 42 ASP H 4.240 . 4.240 3.539 3.359 3.785 . 0 0 "[ . 1 . 2]" 1
678 1 38 MET HB2 1 40 PHE H 5.500 . 5.500 5.079 4.767 5.650 0.150 20 0 "[ . 1 . 2]" 1
679 1 38 MET HB2 1 41 LEU HB2 5.010 . 5.010 4.341 3.557 4.825 . 0 0 "[ . 1 . 2]" 1
680 1 38 MET HB2 1 41 LEU MD1 4.180 . 4.180 4.134 2.919 4.442 0.262 5 0 "[ . 1 . 2]" 1
681 1 38 MET HB3 1 39 VAL H 4.290 . 4.290 3.957 3.433 4.174 . 0 0 "[ . 1 . 2]" 1
682 1 38 MET HB3 1 41 LEU MD2 5.500 . 5.500 5.583 5.509 5.710 0.210 10 0 "[ . 1 . 2]" 1
683 1 38 MET ME 1 38 MET HG2 3.730 . 3.730 3.248 2.173 3.378 . 0 0 "[ . 1 . 2]" 1
684 1 38 MET ME 1 38 MET HG3 3.730 . 3.730 2.415 2.122 2.923 . 0 0 "[ . 1 . 2]" 1
685 1 38 MET ME 1 39 VAL H 4.740 . 4.740 3.542 2.990 4.240 . 0 0 "[ . 1 . 2]" 1
686 1 38 MET ME 1 39 VAL HA 4.310 . 4.310 4.246 3.681 4.517 0.207 7 0 "[ . 1 . 2]" 1
687 1 38 MET ME 1 39 VAL MG2 3.760 . 3.760 2.947 2.301 3.410 . 0 0 "[ . 1 . 2]" 1
688 1 38 MET QG 1 41 LEU MD2 5.500 . 5.500 5.542 4.852 5.956 0.456 2 0 "[ . 1 . 2]" 1
689 1 38 MET HG2 1 39 VAL H 4.110 . 4.110 4.019 2.488 4.588 0.478 10 0 "[ . 1 . 2]" 1
690 1 38 MET HG3 1 39 VAL H 3.990 . 3.990 3.005 1.862 3.980 . 0 0 "[ . 1 . 2]" 1
691 1 39 VAL H 1 39 VAL HB 3.670 . 3.670 2.502 2.423 2.592 . 0 0 "[ . 1 . 2]" 1
692 1 39 VAL H 1 39 VAL MG1 3.950 . 3.950 3.783 3.752 3.845 . 0 0 "[ . 1 . 2]" 1
693 1 39 VAL H 1 39 VAL MG2 3.430 . 3.430 2.312 2.080 2.484 . 0 0 "[ . 1 . 2]" 1
694 1 39 VAL H 1 52 TRP HZ2 5.430 . 5.430 4.641 4.083 5.040 . 0 0 "[ . 1 . 2]" 1
695 1 39 VAL HA 1 39 VAL MG1 3.690 . 3.690 2.518 2.454 2.576 . 0 0 "[ . 1 . 2]" 1
696 1 39 VAL HA 1 39 VAL MG2 3.270 . 3.270 2.274 2.164 2.368 . 0 0 "[ . 1 . 2]" 1
697 1 39 VAL HA 1 42 ASP H 3.900 . 3.900 3.358 3.129 3.516 . 0 0 "[ . 1 . 2]" 1
698 1 39 VAL HA 1 42 ASP QB 3.740 . 3.740 2.544 2.328 2.723 . 0 0 "[ . 1 . 2]" 1
699 1 39 VAL HA 1 43 TYR H 3.930 . 3.930 3.239 3.037 3.436 . 0 0 "[ . 1 . 2]" 1
700 1 39 VAL HA 1 43 TYR HD2 3.460 . 3.460 2.185 1.996 2.681 . 0 0 "[ . 1 . 2]" 1
701 1 39 VAL HA 1 43 TYR HE2 4.100 . 4.100 3.063 2.447 3.460 . 0 0 "[ . 1 . 2]" 1
702 1 39 VAL HB 1 40 PHE H 3.890 . 3.890 2.647 2.538 2.742 . 0 0 "[ . 1 . 2]" 1
703 1 39 VAL HB 1 43 TYR HD2 4.620 . 4.620 4.188 3.946 4.372 . 0 0 "[ . 1 . 2]" 1
704 1 39 VAL HB 1 43 TYR HE2 5.500 . 5.500 5.435 4.912 5.681 0.181 8 0 "[ . 1 . 2]" 1
705 1 39 VAL HB 1 52 TRP HZ2 4.460 . 4.460 3.497 2.658 4.489 0.029 14 0 "[ . 1 . 2]" 1
706 1 39 VAL MG1 1 40 PHE H 4.240 . 4.240 3.492 3.426 3.558 . 0 0 "[ . 1 . 2]" 1
707 1 39 VAL MG1 1 42 ASP H 4.860 . 4.860 4.747 4.561 4.883 0.023 16 0 "[ . 1 . 2]" 1
708 1 39 VAL MG1 1 43 TYR H 4.330 . 4.330 3.449 3.261 3.668 . 0 0 "[ . 1 . 2]" 1
709 1 39 VAL MG1 1 43 TYR HB2 3.690 . 3.690 2.527 2.297 2.738 . 0 0 "[ . 1 . 2]" 1
710 1 39 VAL MG1 1 43 TYR HD2 3.080 . 3.080 2.044 1.847 2.247 . 0 0 "[ . 1 . 2]" 1
711 1 39 VAL MG1 1 43 TYR HE2 4.070 . 4.070 3.306 2.900 3.790 . 0 0 "[ . 1 . 2]" 1
712 1 39 VAL MG1 1 45 PHE H 3.980 . 3.980 3.406 3.010 3.670 . 0 0 "[ . 1 . 2]" 1
713 1 39 VAL MG1 1 45 PHE HB2 4.560 . 4.560 2.169 1.951 2.363 . 0 0 "[ . 1 . 2]" 1
714 1 39 VAL MG1 1 45 PHE QB 3.860 . 3.860 2.134 1.910 2.333 . 0 0 "[ . 1 . 2]" 1
715 1 39 VAL MG1 1 45 PHE HB3 4.560 . 4.560 3.189 2.668 3.595 . 0 0 "[ . 1 . 2]" 1
716 1 39 VAL MG1 1 45 PHE HD2 3.640 . 3.640 2.413 2.138 2.900 . 0 0 "[ . 1 . 2]" 1
717 1 39 VAL MG1 1 52 TRP HZ2 4.150 . 4.150 3.267 2.485 4.051 . 0 0 "[ . 1 . 2]" 1
718 1 39 VAL MG1 1 79 LEU MD1 4.580 . 4.580 3.161 2.117 4.413 . 0 0 "[ . 1 . 2]" 1
719 1 39 VAL MG1 1 79 LEU QD 3.190 . 3.190 2.555 2.090 3.206 0.016 10 0 "[ . 1 . 2]" 1
720 1 39 VAL MG1 1 79 LEU MD2 4.580 . 4.580 3.272 2.340 3.946 . 0 0 "[ . 1 . 2]" 1
721 1 39 VAL MG2 1 40 PHE H 4.460 . 4.460 3.893 3.760 4.016 . 0 0 "[ . 1 . 2]" 1
722 1 39 VAL MG2 1 42 ASP H 5.350 . 5.350 4.988 4.824 5.142 . 0 0 "[ . 1 . 2]" 1
723 1 39 VAL MG2 1 42 ASP QB 4.560 . 4.560 3.964 3.657 4.318 . 0 0 "[ . 1 . 2]" 1
724 1 39 VAL MG2 1 43 TYR H 5.100 . 5.100 4.944 4.751 5.093 . 0 0 "[ . 1 . 2]" 1
725 1 39 VAL MG2 1 43 TYR HD2 3.540 . 3.540 3.293 2.996 3.546 0.006 5 0 "[ . 1 . 2]" 1
726 1 39 VAL MG2 1 43 TYR HE2 3.640 . 3.640 3.180 2.918 3.491 . 0 0 "[ . 1 . 2]" 1
727 1 39 VAL MG2 1 45 PHE HD2 5.000 . 5.000 4.587 4.192 5.014 0.014 4 0 "[ . 1 . 2]" 1
728 1 39 VAL MG2 1 52 TRP HH2 4.030 . 4.030 3.116 2.244 4.001 . 0 0 "[ . 1 . 2]" 1
729 1 39 VAL MG2 1 52 TRP HZ2 3.090 . 3.090 1.894 1.786 2.104 . 0 0 "[ . 1 . 2]" 1
730 1 39 VAL MG2 1 79 LEU MD1 4.970 . 4.970 3.891 2.793 5.055 0.085 10 0 "[ . 1 . 2]" 1
731 1 39 VAL MG2 1 79 LEU QD 3.800 . 3.800 3.285 2.770 3.816 0.016 18 0 "[ . 1 . 2]" 1
732 1 39 VAL MG2 1 79 LEU MD2 4.970 . 4.970 4.270 3.373 5.080 0.110 9 0 "[ . 1 . 2]" 1
733 1 40 PHE H 1 40 PHE HB2 3.450 . 3.450 2.710 2.579 2.799 . 0 0 "[ . 1 . 2]" 1
734 1 40 PHE H 1 40 PHE HD2 4.680 . 4.680 4.645 4.554 4.730 0.050 2 0 "[ . 1 . 2]" 1
735 1 40 PHE H 1 41 LEU H 3.490 . 3.490 2.601 2.548 2.669 . 0 0 "[ . 1 . 2]" 1
736 1 40 PHE H 1 41 LEU MD2 4.770 . 4.770 4.923 4.755 5.021 0.251 14 0 "[ . 1 . 2]" 1
737 1 40 PHE H 1 42 ASP QB 5.340 . 5.340 4.919 4.750 5.104 . 0 0 "[ . 1 . 2]" 1
738 1 40 PHE H 1 45 PHE H 4.990 . 4.990 4.547 4.385 4.824 . 0 0 "[ . 1 . 2]" 1
739 1 40 PHE HA 1 40 PHE HD1 3.440 . 3.440 2.408 2.275 2.538 . 0 0 "[ . 1 . 2]" 1
740 1 40 PHE HA 1 44 GLY H 4.250 . 4.250 2.951 2.513 3.323 . 0 0 "[ . 1 . 2]" 1
741 1 40 PHE HA 1 45 PHE H 3.620 . 3.620 2.104 1.815 2.462 . 0 0 "[ . 1 . 2]" 1
742 1 40 PHE HB2 1 40 PHE HE1 4.930 . 4.930 4.862 4.808 4.919 . 0 0 "[ . 1 . 2]" 1
743 1 40 PHE HB2 1 45 PHE H 4.310 . 4.310 4.290 4.028 4.465 0.155 16 0 "[ . 1 . 2]" 1
744 1 40 PHE HB3 1 41 LEU H 3.650 . 3.650 2.551 2.514 2.602 . 0 0 "[ . 1 . 2]" 1
745 1 40 PHE HB3 1 42 ASP H 4.810 . 4.810 4.897 4.860 4.934 0.124 12 0 "[ . 1 . 2]" 1
746 1 40 PHE HD1 1 44 GLY H 4.200 . 4.200 4.261 4.039 4.360 0.160 15 0 "[ . 1 . 2]" 1
747 1 40 PHE HD2 1 41 LEU H 4.400 . 4.400 3.571 3.360 3.802 . 0 0 "[ . 1 . 2]" 1
748 1 40 PHE HD2 1 41 LEU MD2 3.760 . 3.760 2.417 2.162 2.751 . 0 0 "[ . 1 . 2]" 1
749 1 40 PHE HD2 1 41 LEU HG 4.270 . 4.270 3.607 3.277 3.974 . 0 0 "[ . 1 . 2]" 1
750 1 40 PHE HE1 1 44 GLY HA2 4.900 . 4.900 3.356 3.120 3.580 . 0 0 "[ . 1 . 2]" 1
751 1 40 PHE HE1 1 44 GLY QA 4.080 . 4.080 3.250 3.022 3.480 . 0 0 "[ . 1 . 2]" 1
752 1 40 PHE HE1 1 44 GLY HA3 4.900 . 4.900 4.346 4.011 4.742 . 0 0 "[ . 1 . 2]" 1
753 1 40 PHE HE2 1 41 LEU MD2 3.990 . 3.990 3.434 2.999 3.838 . 0 0 "[ . 1 . 2]" 1
754 1 41 LEU H 1 41 LEU HB3 3.650 . 3.650 3.613 3.578 3.646 . 0 0 "[ . 1 . 2]" 1
755 1 41 LEU H 1 41 LEU MD2 3.400 . 3.400 2.971 2.773 3.084 . 0 0 "[ . 1 . 2]" 1
756 1 41 LEU H 1 41 LEU HG 3.340 . 3.340 1.970 1.848 2.088 . 0 0 "[ . 1 . 2]" 1
757 1 41 LEU H 1 42 ASP H 3.210 . 3.210 2.542 2.513 2.596 . 0 0 "[ . 1 . 2]" 1
758 1 41 LEU HA 1 41 LEU MD1 4.250 . 4.250 3.839 3.812 3.872 . 0 0 "[ . 1 . 2]" 1
759 1 41 LEU HA 1 41 LEU MD2 3.490 . 3.490 2.095 2.012 2.200 . 0 0 "[ . 1 . 2]" 1
760 1 41 LEU HA 1 41 LEU HG 3.790 . 3.790 3.126 2.998 3.266 . 0 0 "[ . 1 . 2]" 1
761 1 41 LEU HA 1 42 ASP H 3.590 . 3.590 3.453 3.430 3.480 . 0 0 "[ . 1 . 2]" 1
762 1 41 LEU HB2 1 41 LEU MD1 2.980 . 2.980 2.344 2.241 2.411 . 0 0 "[ . 1 . 2]" 1
763 1 41 LEU HB2 1 42 ASP H 4.030 . 4.030 2.254 2.164 2.366 . 0 0 "[ . 1 . 2]" 1
764 1 41 LEU HB3 1 41 LEU MD1 3.110 . 3.110 2.409 2.319 2.471 . 0 0 "[ . 1 . 2]" 1
765 1 41 LEU HB3 1 41 LEU MD2 3.080 . 3.080 2.316 2.254 2.377 . 0 0 "[ . 1 . 2]" 1
766 1 41 LEU HB3 1 42 ASP H 4.540 . 4.540 3.470 3.362 3.626 . 0 0 "[ . 1 . 2]" 1
767 1 41 LEU MD2 1 42 ASP H 4.280 . 4.280 4.360 4.328 4.390 0.110 14 0 "[ . 1 . 2]" 1
768 1 41 LEU HG 1 42 ASP H 3.590 . 3.590 3.779 3.674 3.859 0.269 16 0 "[ . 1 . 2]" 1
769 1 42 ASP H 1 42 ASP QB 3.210 . 3.210 2.285 2.206 2.365 . 0 0 "[ . 1 . 2]" 1
770 1 42 ASP H 1 43 TYR H 3.360 . 3.360 2.720 2.668 2.791 . 0 0 "[ . 1 . 2]" 1
771 1 42 ASP H 1 43 TYR HD2 4.800 . 4.800 4.341 4.182 4.656 . 0 0 "[ . 1 . 2]" 1
772 1 42 ASP H 1 44 GLY H 3.980 . 3.980 3.794 3.739 3.905 . 0 0 "[ . 1 . 2]" 1
773 1 42 ASP QB 1 43 TYR H 3.670 . 3.670 2.485 2.331 2.618 . 0 0 "[ . 1 . 2]" 1
774 1 42 ASP QB 1 43 TYR HD2 3.610 . 3.610 2.608 2.465 3.060 . 0 0 "[ . 1 . 2]" 1
775 1 42 ASP QB 1 43 TYR HE2 3.670 . 3.670 2.882 2.701 3.151 . 0 0 "[ . 1 . 2]" 1
776 1 42 ASP HB2 1 43 TYR HD2 4.180 . 4.180 4.064 2.996 4.254 0.074 6 0 "[ . 1 . 2]" 1
777 1 42 ASP HB2 1 43 TYR HE2 4.340 . 4.340 4.011 2.991 4.352 0.012 18 0 "[ . 1 . 2]" 1
778 1 42 ASP HB3 1 43 TYR HD2 4.180 . 4.180 2.714 2.484 3.869 . 0 0 "[ . 1 . 2]" 1
779 1 42 ASP HB3 1 43 TYR HE2 4.340 . 4.340 3.001 2.752 3.579 . 0 0 "[ . 1 . 2]" 1
780 1 43 TYR H 1 43 TYR HB2 3.440 . 3.440 2.611 2.531 2.768 . 0 0 "[ . 1 . 2]" 1
781 1 43 TYR H 1 43 TYR HD2 3.790 . 3.790 2.664 2.507 2.918 . 0 0 "[ . 1 . 2]" 1
782 1 43 TYR H 1 44 GLY H 3.390 . 3.390 2.262 2.193 2.356 . 0 0 "[ . 1 . 2]" 1
783 1 43 TYR H 1 45 PHE H 4.110 . 4.110 3.372 3.157 3.660 . 0 0 "[ . 1 . 2]" 1
784 1 43 TYR HA 1 43 TYR HD1 3.470 . 3.470 2.711 2.516 2.822 . 0 0 "[ . 1 . 2]" 1
785 1 43 TYR HA 1 43 TYR HE1 5.100 . 5.100 4.749 4.627 4.883 . 0 0 "[ . 1 . 2]" 1
786 1 43 TYR HB2 1 43 TYR HD2 3.420 . 3.420 2.400 2.380 2.423 . 0 0 "[ . 1 . 2]" 1
787 1 43 TYR HB2 1 43 TYR HE2 5.280 . 5.280 4.677 4.635 4.702 . 0 0 "[ . 1 . 2]" 1
788 1 43 TYR HB2 1 44 GLY H 3.830 . 3.830 3.510 2.979 3.644 . 0 0 "[ . 1 . 2]" 1
789 1 43 TYR HB2 1 45 PHE H 3.740 . 3.740 2.809 2.460 3.209 . 0 0 "[ . 1 . 2]" 1
790 1 43 TYR HB2 1 45 PHE HD1 4.720 . 4.720 3.165 2.450 3.666 . 0 0 "[ . 1 . 2]" 1
791 1 43 TYR HB3 1 43 TYR HE1 5.500 . 5.500 4.744 4.717 4.806 . 0 0 "[ . 1 . 2]" 1
792 1 43 TYR HB3 1 45 PHE HD1 5.120 . 5.120 3.131 2.286 3.767 . 0 0 "[ . 1 . 2]" 1
793 1 43 TYR HB3 1 45 PHE HE1 4.250 . 4.250 2.652 2.294 2.982 . 0 0 "[ . 1 . 2]" 1
794 1 44 GLY H 1 45 PHE H 3.340 . 3.340 2.475 2.379 2.569 . 0 0 "[ . 1 . 2]" 1
795 1 44 GLY H 1 45 PHE HD1 4.340 . 4.340 4.393 4.288 4.469 0.129 12 0 "[ . 1 . 2]" 1
796 1 45 PHE H 1 45 PHE HB2 3.740 . 3.740 2.355 2.197 2.542 . 0 0 "[ . 1 . 2]" 1
797 1 45 PHE H 1 45 PHE QB 3.230 . 3.230 2.323 2.175 2.495 . 0 0 "[ . 1 . 2]" 1
798 1 45 PHE H 1 45 PHE HB3 3.740 . 3.740 3.572 3.490 3.636 . 0 0 "[ . 1 . 2]" 1
799 1 45 PHE H 1 45 PHE HD1 3.620 . 3.620 2.674 2.423 2.875 . 0 0 "[ . 1 . 2]" 1
800 1 45 PHE HA 1 45 PHE HD1 3.940 . 3.940 2.110 2.011 2.182 . 0 0 "[ . 1 . 2]" 1
801 1 45 PHE HA 1 45 PHE HE1 4.790 . 4.790 4.358 4.242 4.503 . 0 0 "[ . 1 . 2]" 1
802 1 45 PHE HA 1 49 LEU QD 5.440 . 5.440 4.366 2.847 5.501 0.061 18 0 "[ . 1 . 2]" 1
803 1 45 PHE HA 1 81 LEU QD 4.910 . 4.910 3.756 3.102 4.385 . 0 0 "[ . 1 . 2]" 1
804 1 45 PHE QB 1 81 LEU QD 3.790 . 3.790 2.940 2.326 3.858 0.068 7 0 "[ . 1 . 2]" 1
805 1 45 PHE HD2 1 79 LEU QD 3.780 . 3.780 2.319 1.917 3.009 . 0 0 "[ . 1 . 2]" 1
806 1 45 PHE HD2 1 79 LEU HG 5.450 . 5.450 4.707 2.790 5.538 0.088 20 0 "[ . 1 . 2]" 1
807 1 45 PHE HD2 1 81 LEU MD1 4.240 . 4.240 3.147 2.537 3.893 . 0 0 "[ . 1 . 2]" 1
808 1 45 PHE HD2 1 81 LEU QD 3.490 . 3.490 2.732 2.472 3.217 . 0 0 "[ . 1 . 2]" 1
809 1 45 PHE HD2 1 81 LEU MD2 4.240 . 4.240 3.136 2.616 3.847 . 0 0 "[ . 1 . 2]" 1
810 1 45 PHE HE2 1 79 LEU MD1 5.500 . 5.500 4.145 2.897 5.431 . 0 0 "[ . 1 . 2]" 1
811 1 45 PHE HE2 1 79 LEU QD 4.120 . 4.120 2.968 2.101 4.006 . 0 0 "[ . 1 . 2]" 1
812 1 45 PHE HE2 1 79 LEU MD2 5.500 . 5.500 3.586 2.104 5.506 0.006 10 0 "[ . 1 . 2]" 1
813 1 45 PHE HE2 1 81 LEU QD 4.290 . 4.290 2.803 2.386 3.231 . 0 0 "[ . 1 . 2]" 1
814 1 45 PHE HZ 1 81 LEU QD 4.650 . 4.650 3.456 2.594 4.318 . 0 0 "[ . 1 . 2]" 1
815 1 46 PRO QB 1 48 VAL H 4.370 . 4.370 2.920 2.571 3.428 . 0 0 "[ . 1 . 2]" 1
816 1 46 PRO QD 1 49 LEU HB2 4.200 . 4.200 3.107 2.039 3.962 . 0 0 "[ . 1 . 2]" 1
817 1 46 PRO QD 1 49 LEU QD 3.650 . 3.650 2.825 1.850 3.604 . 0 0 "[ . 1 . 2]" 1
818 1 46 PRO HG2 1 49 LEU H 3.750 . 3.750 3.010 2.198 3.770 0.020 1 0 "[ . 1 . 2]" 1
819 1 46 PRO HG2 1 49 LEU HB2 3.600 . 3.600 2.046 1.833 2.509 . 0 0 "[ . 1 . 2]" 1
820 1 46 PRO HG2 1 49 LEU QD 3.620 . 3.620 2.109 1.790 2.507 . 0 0 "[ . 1 . 2]" 1
821 1 46 PRO HG3 1 49 LEU HB2 3.940 . 3.940 3.626 3.175 3.980 0.040 7 0 "[ . 1 . 2]" 1
822 1 46 PRO HG3 1 49 LEU MD1 4.560 . 4.560 2.505 2.050 3.053 . 0 0 "[ . 1 . 2]" 1
823 1 46 PRO HG3 1 49 LEU QD 3.670 . 3.670 2.337 2.037 2.731 . 0 0 "[ . 1 . 2]" 1
824 1 46 PRO HG3 1 49 LEU MD2 4.560 . 4.560 3.490 2.327 4.657 0.097 18 0 "[ . 1 . 2]" 1
825 1 46 PRO HG3 1 84 ALA MB 4.700 . 4.700 4.601 3.484 4.984 0.284 2 0 "[ . 1 . 2]" 1
826 1 47 PRO HA 1 49 LEU H 4.230 . 4.230 4.315 3.845 4.461 0.231 14 0 "[ . 1 . 2]" 1
827 1 47 PRO HA 1 50 GLN H 3.930 . 3.930 3.293 3.037 3.629 . 0 0 "[ . 1 . 2]" 1
828 1 47 PRO HB2 1 48 VAL MG1 4.650 . 4.650 4.733 4.659 4.805 0.155 12 0 "[ . 1 . 2]" 1
829 1 47 PRO QD 1 48 VAL H 3.930 . 3.930 2.910 2.835 2.988 . 0 0 "[ . 1 . 2]" 1
830 1 47 PRO HG2 1 48 VAL H 3.560 . 3.560 2.490 2.330 2.601 . 0 0 "[ . 1 . 2]" 1
831 1 47 PRO HG2 1 48 VAL HB 4.330 . 4.330 4.060 3.851 4.308 . 0 0 "[ . 1 . 2]" 1
832 1 48 VAL H 1 48 VAL HB 3.060 . 3.060 2.726 2.584 2.860 . 0 0 "[ . 1 . 2]" 1
833 1 48 VAL H 1 48 VAL MG1 2.830 . 2.830 1.912 1.824 2.008 . 0 0 "[ . 1 . 2]" 1
834 1 48 VAL H 1 48 VAL MG2 3.830 . 3.830 3.754 3.729 3.785 . 0 0 "[ . 1 . 2]" 1
835 1 48 VAL H 1 49 LEU H 3.490 . 3.490 2.618 2.566 2.696 . 0 0 "[ . 1 . 2]" 1
836 1 48 VAL H 1 50 GLN H 4.380 . 4.380 3.923 3.729 4.176 . 0 0 "[ . 1 . 2]" 1
837 1 48 VAL HA 1 48 VAL HB 2.970 . 2.970 2.393 2.345 2.460 . 0 0 "[ . 1 . 2]" 1
838 1 48 VAL HA 1 48 VAL MG1 3.290 . 3.290 3.206 3.181 3.223 . 0 0 "[ . 1 . 2]" 1
839 1 48 VAL HA 1 48 VAL MG2 2.870 . 2.870 2.446 2.314 2.555 . 0 0 "[ . 1 . 2]" 1
840 1 48 VAL HB 1 49 LEU H 4.370 . 4.370 3.972 3.779 4.262 . 0 0 "[ . 1 . 2]" 1
841 1 48 VAL HB 1 49 LEU QD 5.180 . 5.180 4.403 3.885 5.108 . 0 0 "[ . 1 . 2]" 1
842 1 48 VAL MG1 1 49 LEU H 3.160 . 3.160 1.889 1.736 2.296 . 0 0 "[ . 1 . 2]" 1
843 1 48 VAL MG1 1 49 LEU HB2 3.800 . 3.800 3.468 3.391 3.699 . 0 0 "[ . 1 . 2]" 1
844 1 48 VAL MG1 1 49 LEU HB3 4.930 . 4.930 4.541 4.308 4.769 . 0 0 "[ . 1 . 2]" 1
845 1 48 VAL MG1 1 49 LEU QD 2.720 . 2.720 2.138 1.691 2.840 0.120 12 0 "[ . 1 . 2]" 1
846 1 48 VAL MG1 1 49 LEU HG 4.090 . 4.090 3.170 1.911 4.098 0.008 9 0 "[ . 1 . 2]" 1
847 1 48 VAL MG1 1 50 GLN H 4.160 . 4.160 3.984 3.692 4.226 0.066 6 0 "[ . 1 . 2]" 1
848 1 48 VAL MG1 1 85 ARG H 4.610 . 4.610 4.711 4.275 4.828 0.218 5 0 "[ . 1 . 2]" 1
849 1 48 VAL MG2 1 49 LEU H 5.500 . 5.500 3.316 3.115 3.611 . 0 0 "[ . 1 . 2]" 1
850 1 48 VAL MG2 1 49 LEU HA 3.690 . 3.690 3.418 3.157 3.638 . 0 0 "[ . 1 . 2]" 1
851 1 48 VAL MG2 1 49 LEU QD 3.810 . 3.810 2.688 2.033 3.253 . 0 0 "[ . 1 . 2]" 1
852 1 48 VAL MG2 1 49 LEU HG 3.620 . 3.620 3.584 3.137 3.840 0.220 9 0 "[ . 1 . 2]" 1
853 1 49 LEU H 1 49 LEU HB2 3.300 . 3.300 2.348 2.264 2.486 . 0 0 "[ . 1 . 2]" 1
854 1 49 LEU H 1 49 LEU QD 3.680 . 3.680 2.458 1.876 3.294 . 0 0 "[ . 1 . 2]" 1
855 1 49 LEU H 1 49 LEU HG 4.130 . 4.130 3.282 2.410 3.925 . 0 0 "[ . 1 . 2]" 1
856 1 49 LEU H 1 50 GLN H 3.350 . 3.350 2.479 2.339 2.581 . 0 0 "[ . 1 . 2]" 1
857 1 49 LEU HA 1 49 LEU QD 3.340 . 3.340 2.493 1.833 2.932 . 0 0 "[ . 1 . 2]" 1
858 1 49 LEU HA 1 82 LEU HB2 4.230 . 4.230 3.005 2.002 4.054 . 0 0 "[ . 1 . 2]" 1
859 1 49 LEU HA 1 82 LEU QD 4.020 . 4.020 3.206 1.927 4.152 0.132 19 0 "[ . 1 . 2]" 1
860 1 49 LEU HB2 1 50 GLN H 3.430 . 3.430 2.896 2.597 3.591 0.161 8 0 "[ . 1 . 2]" 1
861 1 49 LEU HB2 1 50 GLN HA 4.530 . 4.530 4.417 4.181 4.585 0.055 8 0 "[ . 1 . 2]" 1
862 1 49 LEU HB2 1 81 LEU QD 3.730 . 3.730 3.134 2.410 3.757 0.027 3 0 "[ . 1 . 2]" 1
863 1 49 LEU HB3 1 49 LEU MD1 3.460 . 3.460 2.927 2.364 3.225 . 0 0 "[ . 1 . 2]" 1
864 1 49 LEU HB3 1 49 LEU MD2 3.460 . 3.460 2.228 2.052 2.491 . 0 0 "[ . 1 . 2]" 1
865 1 49 LEU HB3 1 50 GLN H 4.400 . 4.400 3.635 3.386 4.120 . 0 0 "[ . 1 . 2]" 1
866 1 49 LEU HB3 1 50 GLN HA 4.750 . 4.750 4.179 3.886 4.703 . 0 0 "[ . 1 . 2]" 1
867 1 49 LEU HB3 1 81 LEU QD 4.180 . 4.180 2.366 1.884 3.004 . 0 0 "[ . 1 . 2]" 1
868 1 49 LEU HB3 1 82 LEU H 4.550 . 4.550 3.004 2.145 4.636 0.086 7 0 "[ . 1 . 2]" 1
869 1 49 LEU QD 1 50 GLN H 4.580 . 4.580 3.957 3.656 4.230 . 0 0 "[ . 1 . 2]" 1
870 1 49 LEU QD 1 83 SER HA 4.290 . 4.290 3.958 3.392 4.334 0.044 11 0 "[ . 1 . 2]" 1
871 1 49 LEU QD 1 84 ALA H 4.330 . 4.330 2.466 1.917 3.424 . 0 0 "[ . 1 . 2]" 1
872 1 49 LEU QD 1 84 ALA HA 3.400 . 3.400 3.303 1.680 3.634 0.234 3 0 "[ . 1 . 2]" 1
873 1 49 LEU QD 1 85 ARG H 4.110 . 4.110 2.846 1.638 3.507 0.062 5 0 "[ . 1 . 2]" 1
874 1 49 LEU QD 1 85 ARG HA 4.120 . 4.120 2.806 2.081 4.118 . 0 0 "[ . 1 . 2]" 1
875 1 49 LEU QD 1 85 ARG QD 5.070 . 5.070 4.437 3.038 5.315 0.245 8 0 "[ . 1 . 2]" 1
876 1 49 LEU MD1 1 84 ALA HA 4.270 . 4.270 3.951 1.737 4.383 0.113 10 0 "[ . 1 . 2]" 1
877 1 49 LEU MD1 1 84 ALA MB 3.370 . 3.370 2.120 1.763 2.880 . 0 0 "[ . 1 . 2]" 1
878 1 49 LEU MD1 1 85 ARG H 4.950 . 4.950 3.052 1.702 3.757 . 0 0 "[ . 1 . 2]" 1
879 1 49 LEU MD1 1 85 ARG HA 4.780 . 4.780 3.302 2.102 4.846 0.066 18 0 "[ . 1 . 2]" 1
880 1 49 LEU MD2 1 84 ALA HA 3.970 . 3.970 3.585 1.992 4.149 0.179 11 0 "[ . 1 . 2]" 1
881 1 49 LEU MD2 1 84 ALA MB 3.370 . 3.370 2.339 1.778 3.499 0.129 18 0 "[ . 1 . 2]" 1
882 1 49 LEU MD2 1 85 ARG H 4.950 . 4.950 3.540 1.680 4.221 0.020 5 0 "[ . 1 . 2]" 1
883 1 49 LEU MD2 1 85 ARG HA 4.780 . 4.780 3.387 2.155 4.881 0.101 20 0 "[ . 1 . 2]" 1
884 1 49 LEU HG 1 50 GLN H 5.160 . 5.160 4.798 4.314 5.096 . 0 0 "[ . 1 . 2]" 1
885 1 49 LEU HG 1 81 LEU QD 4.780 . 4.780 4.496 3.608 4.884 0.104 18 0 "[ . 1 . 2]" 1
886 1 49 LEU HG 1 82 LEU H 4.510 . 4.510 3.809 2.734 4.712 0.202 18 0 "[ . 1 . 2]" 1
887 1 49 LEU HG 1 84 ALA HA 5.260 . 5.260 4.845 4.000 5.379 0.119 5 0 "[ . 1 . 2]" 1
888 1 50 GLN H 1 79 LEU QD 4.850 . 4.850 4.409 3.985 4.914 0.064 8 0 "[ . 1 . 2]" 1
889 1 50 GLN H 1 81 LEU QD 4.600 . 4.600 3.864 3.257 4.732 0.132 6 0 "[ . 1 . 2]" 1
890 1 50 GLN HA 1 51 GLN QB 4.990 . 4.990 4.546 4.266 4.991 0.001 8 0 "[ . 1 . 2]" 1
891 1 50 GLN HA 1 79 LEU MD1 4.490 . 4.490 2.992 1.988 4.187 . 0 0 "[ . 1 . 2]" 1
892 1 50 GLN HA 1 79 LEU QD 3.660 . 3.660 2.405 1.931 3.112 . 0 0 "[ . 1 . 2]" 1
893 1 50 GLN HA 1 79 LEU MD2 4.490 . 4.490 2.991 2.120 3.810 . 0 0 "[ . 1 . 2]" 1
894 1 50 GLN HA 1 81 LEU QD 4.170 . 4.170 2.697 1.883 4.261 0.091 6 0 "[ . 1 . 2]" 1
895 1 51 GLN QB 1 79 LEU QD 4.050 . 4.050 3.671 3.014 4.134 0.084 9 0 "[ . 1 . 2]" 1
896 1 51 GLN QB 1 80 TYR H 4.450 . 4.450 3.003 2.401 3.411 . 0 0 "[ . 1 . 2]" 1
897 1 52 TRP HA 1 53 VAL H 3.560 . 3.560 2.193 2.123 2.263 . 0 0 "[ . 1 . 2]" 1
898 1 52 TRP HB2 1 53 VAL H 5.500 . 5.500 4.324 4.184 4.541 . 0 0 "[ . 1 . 2]" 1
899 1 52 TRP HB3 1 53 VAL H 5.500 . 5.500 3.307 3.044 3.789 . 0 0 "[ . 1 . 2]" 1
900 1 52 TRP HE3 1 54 ILE MD 4.060 . 4.060 3.024 2.209 4.160 0.100 10 0 "[ . 1 . 2]" 1
901 1 52 TRP HE3 1 77 ALA MB 3.610 . 3.610 2.701 2.371 3.049 . 0 0 "[ . 1 . 2]" 1
902 1 52 TRP HZ2 1 79 LEU QD 3.750 . 3.750 3.099 2.560 3.763 0.013 7 0 "[ . 1 . 2]" 1
903 1 52 TRP HZ3 1 54 ILE MD 4.990 . 4.990 3.945 2.900 5.017 0.027 17 0 "[ . 1 . 2]" 1
904 1 52 TRP HZ3 1 77 ALA MB 3.650 . 3.650 2.322 2.026 3.024 . 0 0 "[ . 1 . 2]" 1
905 1 53 VAL HA 1 54 ILE H 3.600 . 3.600 2.114 2.055 2.198 . 0 0 "[ . 1 . 2]" 1
906 1 53 VAL HB 1 78 TYR QB 3.860 . 3.860 2.005 1.815 2.278 . 0 0 "[ . 1 . 2]" 1
907 1 53 VAL HB 1 78 TYR HD1 5.400 . 5.400 4.444 1.947 5.552 0.152 16 0 "[ . 1 . 2]" 1
908 1 53 VAL HB 1 78 TYR HD2 5.500 . 5.500 4.378 2.404 5.541 0.041 17 0 "[ . 1 . 2]" 1
909 1 53 VAL QG 1 78 TYR QB 3.650 . 3.650 2.739 2.302 3.036 . 0 0 "[ . 1 . 2]" 1
910 1 54 ILE HA 1 54 ILE QG 3.570 . 3.570 2.595 2.404 3.326 . 0 0 "[ . 1 . 2]" 1
911 1 54 ILE HA 1 54 ILE MG 3.420 . 3.420 2.368 2.110 2.454 . 0 0 "[ . 1 . 2]" 1
912 1 54 ILE HB 1 54 ILE MD 3.720 . 3.720 2.507 2.195 3.232 . 0 0 "[ . 1 . 2]" 1
913 1 54 ILE MD 1 54 ILE MG 2.960 . 2.960 1.851 1.710 2.086 . 0 0 "[ . 1 . 2]" 1
914 1 54 ILE MD 1 68 HIS HB2 4.490 . 4.490 2.833 1.810 3.922 . 0 0 "[ . 1 . 2]" 1
915 1 54 ILE MD 1 68 HIS QB 3.780 . 3.780 2.531 1.800 3.439 . 0 0 "[ . 1 . 2]" 1
916 1 54 ILE MD 1 68 HIS HB3 4.490 . 4.490 3.328 1.932 4.410 . 0 0 "[ . 1 . 2]" 1
917 1 54 ILE MD 1 70 VAL QG 4.950 . 4.950 3.885 1.946 4.846 . 0 0 "[ . 1 . 2]" 1
918 1 54 ILE MD 1 77 ALA MB 3.610 . 3.610 2.695 1.987 3.709 0.099 10 0 "[ . 1 . 2]" 1
919 1 54 ILE QG 1 54 ILE MG 3.220 . 3.220 2.231 2.110 2.308 . 0 0 "[ . 1 . 2]" 1
920 1 54 ILE MG 1 68 HIS H 5.350 . 5.350 4.943 4.283 5.512 0.162 10 0 "[ . 1 . 2]" 1
921 1 54 ILE MG 1 68 HIS HB2 4.010 . 4.010 2.931 2.198 4.063 0.053 12 0 "[ . 1 . 2]" 1
922 1 54 ILE MG 1 68 HIS QB 3.490 . 3.490 2.491 1.856 2.829 . 0 0 "[ . 1 . 2]" 1
923 1 54 ILE MG 1 68 HIS HB3 4.010 . 4.010 3.351 1.897 4.111 0.101 7 0 "[ . 1 . 2]" 1
924 1 54 ILE MG 1 70 VAL QG 4.850 . 4.850 4.211 2.252 4.993 0.143 18 0 "[ . 1 . 2]" 1
925 1 54 ILE MG 1 77 ALA MB 4.200 . 4.200 3.856 2.211 4.407 0.207 13 0 "[ . 1 . 2]" 1
926 1 54 ILE MG 1 78 TYR H 5.150 . 5.150 4.683 2.698 5.226 0.076 4 0 "[ . 1 . 2]" 1
927 1 55 GLY QA 1 56 GLN QG 4.460 . 4.460 3.717 3.261 4.556 0.096 10 0 "[ . 1 . 2]" 1
928 1 56 GLN H 1 56 GLN QE 4.120 . 4.120 3.905 3.098 4.319 0.199 8 0 "[ . 1 . 2]" 1
929 1 56 GLN H 1 56 GLN QG 3.410 . 3.410 2.360 1.855 2.823 . 0 0 "[ . 1 . 2]" 1
930 1 56 GLN H 1 57 ARG H 5.010 . 5.010 2.654 2.166 2.884 . 0 0 "[ . 1 . 2]" 1
931 1 56 GLN HA 1 56 GLN HG2 4.000 . 4.000 2.924 2.415 3.720 . 0 0 "[ . 1 . 2]" 1
932 1 56 GLN HA 1 56 GLN QG 3.460 . 3.460 2.643 2.287 3.471 0.011 2 0 "[ . 1 . 2]" 1
933 1 56 GLN HA 1 56 GLN HG3 4.000 . 4.000 3.224 2.327 4.168 0.168 10 0 "[ . 1 . 2]" 1
934 1 56 GLN QB 1 57 ARG H 3.810 . 3.810 3.250 2.378 3.999 0.189 10 0 "[ . 1 . 2]" 1
935 1 56 GLN QE 1 56 GLN QG 2.990 . 2.990 2.401 2.157 2.839 . 0 0 "[ . 1 . 2]" 1
936 1 56 GLN QG 1 57 ARG H 4.350 . 4.350 4.256 3.619 4.534 0.184 16 0 "[ . 1 . 2]" 1
937 1 58 LEU H 1 58 LEU QB 3.460 . 3.460 2.506 2.349 3.002 . 0 0 "[ . 1 . 2]" 1
938 1 58 LEU HA 1 59 ALA H 3.430 . 3.430 2.318 2.128 2.668 . 0 0 "[ . 1 . 2]" 1
939 1 58 LEU HA 1 59 ALA HA 4.500 . 4.500 4.328 4.270 4.416 . 0 0 "[ . 1 . 2]" 1
940 1 58 LEU HA 1 59 ALA MB 4.170 . 4.170 4.111 3.912 4.291 0.121 8 0 "[ . 1 . 2]" 1
941 1 58 LEU HA 1 60 ARG H 4.110 . 4.110 4.064 3.603 4.262 0.152 17 0 "[ . 1 . 2]" 1
942 1 58 LEU QB 1 59 ALA H 3.540 . 3.540 2.682 1.995 3.454 . 0 0 "[ . 1 . 2]" 1
943 1 58 LEU QB 1 59 ALA HA 4.890 . 4.890 4.478 4.185 4.912 0.022 1 0 "[ . 1 . 2]" 1
944 1 58 LEU QB 1 59 ALA MB 4.330 . 4.330 4.042 3.561 4.494 0.164 1 0 "[ . 1 . 2]" 1
945 1 58 LEU QB 1 60 ARG H 3.600 . 3.600 2.924 2.158 3.483 . 0 0 "[ . 1 . 2]" 1
946 1 59 ALA MB 1 60 ARG H 4.250 . 4.250 3.531 2.796 3.718 . 0 0 "[ . 1 . 2]" 1
947 1 59 ALA MB 1 61 ASP H 5.490 . 5.490 5.314 4.927 5.664 0.174 2 0 "[ . 1 . 2]" 1
948 1 60 ARG QB 1 60 ARG QD 3.250 . 3.250 2.374 2.166 2.973 . 0 0 "[ . 1 . 2]" 1
949 1 60 ARG QB 1 62 GLN H 4.010 . 4.010 3.657 2.390 4.117 0.107 14 0 "[ . 1 . 2]" 1
950 1 60 ARG QB 1 63 GLU H 3.920 . 3.920 3.185 2.037 3.969 0.049 2 0 "[ . 1 . 2]" 1
951 1 60 ARG QG 1 61 ASP H 4.010 . 4.010 3.127 2.117 4.111 0.101 15 0 "[ . 1 . 2]" 1
952 1 60 ARG QG 1 62 GLN H 4.080 . 4.080 2.501 1.880 4.201 0.121 12 0 "[ . 1 . 2]" 1
953 1 60 ARG QG 1 63 GLU H 3.970 . 3.970 2.927 1.883 4.213 0.243 12 0 "[ . 1 . 2]" 1
954 1 60 ARG HG2 1 63 GLU H 4.730 . 4.730 3.299 1.889 4.700 . 0 0 "[ . 1 . 2]" 1
955 1 60 ARG HG3 1 63 GLU H 4.730 . 4.730 3.801 2.057 4.960 0.230 15 0 "[ . 1 . 2]" 1
956 1 61 ASP H 1 61 ASP QB 3.650 . 3.650 2.450 2.107 2.735 . 0 0 "[ . 1 . 2]" 1
957 1 61 ASP H 1 62 GLN H 3.970 . 3.970 2.477 2.216 2.838 . 0 0 "[ . 1 . 2]" 1
958 1 61 ASP H 1 63 GLU H 4.270 . 4.270 4.241 3.949 4.483 0.213 2 0 "[ . 1 . 2]" 1
959 1 61 ASP QB 1 62 GLN H 4.210 . 4.210 3.007 2.311 3.714 . 0 0 "[ . 1 . 2]" 1
960 1 62 GLN H 1 62 GLN QB 3.350 . 3.350 2.444 2.325 2.747 . 0 0 "[ . 1 . 2]" 1
961 1 62 GLN H 1 62 GLN HG2 3.460 . 3.460 3.296 1.863 3.647 0.187 17 0 "[ . 1 . 2]" 1
962 1 62 GLN H 1 62 GLN HG3 3.460 . 3.460 2.526 2.128 3.524 0.064 11 0 "[ . 1 . 2]" 1
963 1 62 GLN H 1 63 GLU H 3.740 . 3.740 2.686 2.550 2.905 . 0 0 "[ . 1 . 2]" 1
964 1 62 GLN HA 1 62 GLN QG 3.410 . 3.410 2.431 2.254 3.195 . 0 0 "[ . 1 . 2]" 1
965 1 62 GLN QB 1 62 GLN QE 4.060 . 4.060 3.297 2.227 3.751 . 0 0 "[ . 1 . 2]" 1
966 1 62 GLN QB 1 63 GLU H 3.980 . 3.980 3.105 2.677 3.641 . 0 0 "[ . 1 . 2]" 1
967 1 62 GLN QE 1 62 GLN QG 2.980 . 2.980 2.262 2.154 2.532 . 0 0 "[ . 1 . 2]" 1
968 1 63 GLU H 1 64 THR H 4.760 . 4.760 4.607 4.484 4.706 . 0 0 "[ . 1 . 2]" 1
969 1 63 GLU HA 1 64 THR H 3.620 . 3.620 2.249 2.119 2.390 . 0 0 "[ . 1 . 2]" 1
970 1 63 GLU QG 1 64 THR H 4.730 . 4.730 3.719 2.015 4.478 . 0 0 "[ . 1 . 2]" 1
971 1 63 GLU HG2 1 64 THR H 5.440 . 5.440 4.208 3.531 5.010 . 0 0 "[ . 1 . 2]" 1
972 1 63 GLU HG3 1 64 THR H 5.440 . 5.440 4.369 2.024 5.352 . 0 0 "[ . 1 . 2]" 1
973 1 64 THR H 1 64 THR MG 3.850 . 3.850 3.336 2.772 3.698 . 0 0 "[ . 1 . 2]" 1
974 1 64 THR H 1 66 HIS H 5.480 . 5.480 5.337 5.093 5.528 0.048 17 0 "[ . 1 . 2]" 1
975 1 64 THR H 1 67 SER H 4.430 . 4.430 3.994 3.570 4.496 0.066 8 0 "[ . 1 . 2]" 1
976 1 64 THR HA 1 64 THR MG 3.680 . 3.680 2.080 1.948 2.227 . 0 0 "[ . 1 . 2]" 1
977 1 64 THR HB 1 65 LEU H 4.540 . 4.540 3.078 2.347 3.694 . 0 0 "[ . 1 . 2]" 1
978 1 64 THR MG 1 65 LEU H 4.160 . 4.160 2.689 2.019 3.289 . 0 0 "[ . 1 . 2]" 1
979 1 64 THR MG 1 65 LEU QB 5.340 . 5.340 4.149 3.465 4.860 . 0 0 "[ . 1 . 2]" 1
980 1 64 THR MG 1 65 LEU HG 4.470 . 4.470 4.276 3.748 4.612 0.142 10 0 "[ . 1 . 2]" 1
981 1 64 THR MG 1 66 HIS H 4.140 . 4.140 3.213 2.305 3.911 . 0 0 "[ . 1 . 2]" 1
982 1 64 THR MG 1 67 SER H 4.130 . 4.130 4.019 3.184 4.274 0.144 16 0 "[ . 1 . 2]" 1
983 1 65 LEU H 1 65 LEU MD1 4.140 . 4.140 3.640 3.547 3.760 . 0 0 "[ . 1 . 2]" 1
984 1 65 LEU H 1 65 LEU MD2 3.920 . 3.920 3.205 2.621 3.394 . 0 0 "[ . 1 . 2]" 1
985 1 65 LEU H 1 65 LEU HG 4.270 . 4.270 2.199 2.032 2.278 . 0 0 "[ . 1 . 2]" 1
986 1 65 LEU H 1 66 HIS H 4.110 . 4.110 2.555 2.432 2.699 . 0 0 "[ . 1 . 2]" 1
987 1 65 LEU HA 1 65 LEU MD1 4.400 . 4.400 3.786 3.734 3.823 . 0 0 "[ . 1 . 2]" 1
988 1 65 LEU HA 1 65 LEU MD2 3.280 . 3.280 1.977 1.893 2.055 . 0 0 "[ . 1 . 2]" 1
989 1 65 LEU HA 1 65 LEU HG 3.880 . 3.880 3.075 2.926 3.356 . 0 0 "[ . 1 . 2]" 1
990 1 65 LEU HA 1 68 HIS H 4.680 . 4.680 3.356 3.047 3.929 . 0 0 "[ . 1 . 2]" 1
991 1 65 LEU HA 1 70 VAL QG 3.850 . 3.850 3.257 2.414 3.909 0.059 20 0 "[ . 1 . 2]" 1
992 1 65 LEU QB 1 66 HIS H 4.920 . 4.920 2.542 2.461 2.643 . 0 0 "[ . 1 . 2]" 1
993 1 65 LEU QB 1 70 VAL H 5.290 . 5.290 4.235 3.485 5.022 . 0 0 "[ . 1 . 2]" 1
994 1 65 LEU QB 1 70 VAL HB 5.330 . 5.330 2.943 1.775 4.889 . 0 0 "[ . 1 . 2]" 1
995 1 65 LEU HB2 1 65 LEU MD2 3.600 . 3.600 3.225 3.212 3.240 . 0 0 "[ . 1 . 2]" 1
996 1 65 LEU HB3 1 65 LEU MD2 3.600 . 3.600 2.409 2.312 2.504 . 0 0 "[ . 1 . 2]" 1
997 1 65 LEU HG 1 66 HIS H 4.460 . 4.460 4.179 3.847 4.321 . 0 0 "[ . 1 . 2]" 1
998 1 66 HIS H 1 66 HIS HB2 3.870 . 3.870 2.366 2.084 2.558 . 0 0 "[ . 1 . 2]" 1
999 1 66 HIS H 1 66 HIS HB3 3.870 . 3.870 2.803 2.540 3.552 . 0 0 "[ . 1 . 2]" 1
1000 1 66 HIS H 1 67 SER H 3.650 . 3.650 2.756 2.651 2.995 . 0 0 "[ . 1 . 2]" 1
1001 1 66 HIS H 1 70 VAL QG 4.710 . 4.710 4.121 3.330 4.841 0.131 20 0 "[ . 1 . 2]" 1
1002 1 66 HIS HA 1 66 HIS HD2 4.770 . 4.770 3.420 2.357 4.510 . 0 0 "[ . 1 . 2]" 1
1003 1 66 HIS QB 1 66 HIS HE1 4.550 . 4.550 4.490 4.371 4.631 0.081 12 0 "[ . 1 . 2]" 1
1004 1 66 HIS QB 1 67 SER H 3.680 . 3.680 2.716 2.409 3.157 . 0 0 "[ . 1 . 2]" 1
1005 1 66 HIS HB2 1 67 SER H 4.350 . 4.350 3.795 2.710 4.231 . 0 0 "[ . 1 . 2]" 1
1006 1 66 HIS HB3 1 67 SER H 4.350 . 4.350 2.810 2.445 3.259 . 0 0 "[ . 1 . 2]" 1
1007 1 66 HIS HD2 1 71 ARG QB 4.200 . 4.200 3.771 2.391 4.344 0.144 16 0 "[ . 1 . 2]" 1
1008 1 66 HIS HD2 1 71 ARG QG 4.710 . 4.710 3.300 1.868 4.778 0.068 3 0 "[ . 1 . 2]" 1
1009 1 67 SER H 1 67 SER QB 3.290 . 3.290 2.644 2.237 2.873 . 0 0 "[ . 1 . 2]" 1
1010 1 67 SER H 1 68 HIS H 3.660 . 3.660 2.676 2.554 2.811 . 0 0 "[ . 1 . 2]" 1
1011 1 67 SER H 1 68 HIS QB 4.900 . 4.900 4.572 4.325 4.955 0.055 16 0 "[ . 1 . 2]" 1
1012 1 67 SER H 1 69 GLY H 4.390 . 4.390 3.904 3.641 4.134 . 0 0 "[ . 1 . 2]" 1
1013 1 67 SER QB 1 68 HIS H 4.110 . 4.110 2.952 2.433 3.686 . 0 0 "[ . 1 . 2]" 1
1014 1 67 SER QB 1 68 HIS QB 4.760 . 4.760 4.264 3.656 4.840 0.080 1 0 "[ . 1 . 2]" 1
1015 1 68 HIS H 1 68 HIS HB2 4.170 . 4.170 2.800 2.191 3.752 . 0 0 "[ . 1 . 2]" 1
1016 1 68 HIS H 1 68 HIS HB3 4.170 . 4.170 2.783 2.201 3.693 . 0 0 "[ . 1 . 2]" 1
1017 1 68 HIS H 1 69 GLY H 3.350 . 3.350 2.470 2.301 2.594 . 0 0 "[ . 1 . 2]" 1
1018 1 68 HIS H 1 70 VAL H 4.050 . 4.050 3.422 3.087 3.810 . 0 0 "[ . 1 . 2]" 1
1019 1 68 HIS H 1 70 VAL HB 5.500 . 5.500 5.004 4.114 5.799 0.299 12 0 "[ . 1 . 2]" 1
1020 1 68 HIS H 1 70 VAL QG 4.260 . 4.260 3.529 2.822 4.107 . 0 0 "[ . 1 . 2]" 1
1021 1 68 HIS QB 1 70 VAL QG 4.190 . 4.190 2.317 1.807 3.829 . 0 0 "[ . 1 . 2]" 1
1022 1 68 HIS HD2 1 70 VAL QG 4.740 . 4.740 3.320 1.804 5.012 0.272 11 0 "[ . 1 . 2]" 1
1023 1 69 GLY H 1 70 VAL H 3.370 . 3.370 2.258 1.793 2.652 . 0 0 "[ . 1 . 2]" 1
1024 1 69 GLY H 1 70 VAL HB 5.210 . 5.210 4.740 4.203 5.302 0.092 19 0 "[ . 1 . 2]" 1
1025 1 69 GLY H 1 70 VAL QG 3.870 . 3.870 3.515 2.999 3.934 0.064 1 0 "[ . 1 . 2]" 1
1026 1 69 GLY QA 1 70 VAL QG 4.660 . 4.660 3.864 3.688 4.092 . 0 0 "[ . 1 . 2]" 1
1027 1 70 VAL H 1 70 VAL HB 3.650 . 3.650 2.702 2.456 3.041 . 0 0 "[ . 1 . 2]" 1
1028 1 70 VAL H 1 70 VAL QG 3.230 . 3.230 1.976 1.697 2.168 0.003 17 0 "[ . 1 . 2]" 1
1029 1 70 VAL H 1 71 ARG H 4.580 . 4.580 4.104 3.860 4.526 . 0 0 "[ . 1 . 2]" 1
1030 1 70 VAL HA 1 70 VAL MG1 3.700 . 3.700 2.553 2.173 3.221 . 0 0 "[ . 1 . 2]" 1
1031 1 70 VAL HA 1 70 VAL MG2 3.700 . 3.700 2.472 2.378 2.579 . 0 0 "[ . 1 . 2]" 1
1032 1 70 VAL HA 1 72 GLN H 3.730 . 3.730 3.473 3.162 3.788 0.058 8 0 "[ . 1 . 2]" 1
1033 1 70 VAL QG 1 71 ARG H 3.830 . 3.830 3.159 2.532 3.459 . 0 0 "[ . 1 . 2]" 1
1034 1 70 VAL QG 1 71 ARG HA 4.310 . 4.310 4.003 3.271 4.438 0.128 5 0 "[ . 1 . 2]" 1
1035 1 70 VAL QG 1 72 GLN H 3.590 . 3.590 3.179 2.254 3.653 0.063 12 0 "[ . 1 . 2]" 1
1036 1 70 VAL QG 1 75 ASP H 4.010 . 4.010 3.702 3.304 4.100 0.090 8 0 "[ . 1 . 2]" 1
1037 1 70 VAL QG 1 75 ASP QB 3.470 . 3.470 2.006 1.800 2.680 . 0 0 "[ . 1 . 2]" 1
1038 1 70 VAL MG1 1 71 ARG H 4.560 . 4.560 3.526 2.552 4.270 . 0 0 "[ . 1 . 2]" 1
1039 1 70 VAL MG2 1 71 ARG H 4.560 . 4.560 3.992 2.898 4.378 . 0 0 "[ . 1 . 2]" 1
1040 1 71 ARG H 1 71 ARG HD2 5.500 . 5.500 4.655 3.561 5.563 0.063 8 0 "[ . 1 . 2]" 1
1041 1 71 ARG H 1 71 ARG HD3 5.500 . 5.500 4.571 3.937 5.014 . 0 0 "[ . 1 . 2]" 1
1042 1 71 ARG H 1 71 ARG HG2 4.410 . 4.410 3.496 1.864 4.414 0.004 13 0 "[ . 1 . 2]" 1
1043 1 71 ARG H 1 71 ARG HG3 4.410 . 4.410 2.714 2.092 4.516 0.106 13 0 "[ . 1 . 2]" 1
1044 1 71 ARG H 1 72 GLN H 3.060 . 3.060 2.158 1.769 2.590 . 0 0 "[ . 1 . 2]" 1
1045 1 71 ARG HA 1 71 ARG HG2 4.040 . 4.040 2.717 2.335 3.510 . 0 0 "[ . 1 . 2]" 1
1046 1 71 ARG HA 1 71 ARG HG3 4.040 . 4.040 3.083 2.493 4.000 . 0 0 "[ . 1 . 2]" 1
1047 1 71 ARG QB 1 71 ARG QD 3.330 . 3.330 2.334 2.077 2.646 . 0 0 "[ . 1 . 2]" 1
1048 1 71 ARG QB 1 72 GLN H 3.770 . 3.770 2.874 2.339 3.577 . 0 0 "[ . 1 . 2]" 1
1049 1 71 ARG QB 1 72 GLN HE21 4.320 . 4.320 2.950 2.228 4.318 . 0 0 "[ . 1 . 2]" 1
1050 1 71 ARG QG 1 72 GLN H 4.150 . 4.150 3.888 2.428 4.246 0.096 11 0 "[ . 1 . 2]" 1
1051 1 72 GLN H 1 72 GLN QB 3.520 . 3.520 3.033 2.514 3.380 . 0 0 "[ . 1 . 2]" 1
1052 1 72 GLN H 1 72 GLN HE21 4.140 . 4.140 3.872 1.877 4.311 0.171 14 0 "[ . 1 . 2]" 1
1053 1 72 GLN H 1 72 GLN QG 3.570 . 3.570 2.599 2.035 3.245 . 0 0 "[ . 1 . 2]" 1
1054 1 72 GLN H 1 73 ASN H 4.490 . 4.490 4.346 4.290 4.398 . 0 0 "[ . 1 . 2]" 1
1055 1 72 GLN H 1 75 ASP H 5.400 . 5.400 4.998 4.018 5.541 0.141 2 0 "[ . 1 . 2]" 1
1056 1 72 GLN H 1 75 ASP QB 5.340 . 5.340 3.929 3.143 5.096 . 0 0 "[ . 1 . 2]" 1
1057 1 72 GLN HA 1 72 GLN QG 3.570 . 3.570 3.037 2.272 3.466 . 0 0 "[ . 1 . 2]" 1
1058 1 72 GLN HA 1 73 ASN H 3.140 . 3.140 2.450 2.207 2.626 . 0 0 "[ . 1 . 2]" 1
1059 1 72 GLN QB 1 72 GLN HE21 3.570 . 3.570 2.449 1.689 3.585 0.015 18 0 "[ . 1 . 2]" 1
1060 1 72 GLN QB 1 72 GLN HE22 3.560 . 3.560 3.411 3.113 3.829 0.269 18 0 "[ . 1 . 2]" 1
1061 1 72 GLN QB 1 72 GLN QG 2.380 . 2.380 2.071 2.024 2.110 . 0 0 "[ . 1 . 2]" 1
1062 1 72 GLN QB 1 73 ASN H 4.110 . 4.110 2.202 1.955 2.491 . 0 0 "[ . 1 . 2]" 1
1063 1 72 GLN HE22 1 72 GLN QG 3.590 . 3.590 3.401 3.248 3.557 . 0 0 "[ . 1 . 2]" 1
1064 1 72 GLN QG 1 73 ASN H 3.360 . 3.360 3.436 3.137 3.587 0.227 11 0 "[ . 1 . 2]" 1
1065 1 73 ASN H 1 73 ASN HB3 3.230 . 3.230 2.423 2.255 2.724 . 0 0 "[ . 1 . 2]" 1
1066 1 73 ASN H 1 73 ASN HD21 4.320 . 4.320 2.646 1.743 4.417 0.097 2 0 "[ . 1 . 2]" 1
1067 1 73 ASN H 1 73 ASN HD22 4.140 . 4.140 3.857 3.391 4.198 0.058 18 0 "[ . 1 . 2]" 1
1068 1 73 ASN H 1 74 GLY H 4.790 . 4.790 4.626 4.550 4.666 . 0 0 "[ . 1 . 2]" 1
1069 1 73 ASN H 1 75 ASP H 5.300 . 5.300 5.080 4.679 5.396 0.096 17 0 "[ . 1 . 2]" 1
1070 1 73 ASN HA 1 75 ASP H 3.610 . 3.610 3.083 2.874 3.238 . 0 0 "[ . 1 . 2]" 1
1071 1 73 ASN HB2 1 74 GLY H 4.710 . 4.710 2.756 2.439 3.251 . 0 0 "[ . 1 . 2]" 1
1072 1 73 ASN HB3 1 73 ASN HD22 4.010 . 4.010 3.640 3.508 3.894 . 0 0 "[ . 1 . 2]" 1
1073 1 73 ASN HB3 1 74 GLY H 4.240 . 4.240 4.031 3.711 4.280 0.040 12 0 "[ . 1 . 2]" 1
1074 1 74 GLY H 1 75 ASP H 3.170 . 3.170 2.343 2.110 2.570 . 0 0 "[ . 1 . 2]" 1
1075 1 75 ASP H 1 75 ASP HB2 3.610 . 3.610 2.563 2.276 3.504 . 0 0 "[ . 1 . 2]" 1
1076 1 75 ASP H 1 75 ASP QB 2.930 . 2.930 2.380 2.251 2.867 . 0 0 "[ . 1 . 2]" 1
1077 1 75 ASP H 1 75 ASP HB3 3.610 . 3.610 3.133 2.660 3.599 . 0 0 "[ . 1 . 2]" 1
1078 1 75 ASP H 1 76 SER H 4.650 . 4.650 4.559 4.490 4.627 . 0 0 "[ . 1 . 2]" 1
1079 1 75 ASP HA 1 76 SER H 3.350 . 3.350 2.305 2.177 2.530 . 0 0 "[ . 1 . 2]" 1
1080 1 75 ASP QB 1 76 SER H 3.240 . 3.240 2.883 2.234 3.309 0.069 18 0 "[ . 1 . 2]" 1
1081 1 75 ASP QB 1 76 SER HA 4.440 . 4.440 4.207 3.985 4.398 . 0 0 "[ . 1 . 2]" 1
1082 1 75 ASP HB2 1 76 SER H 3.900 . 3.900 3.751 2.257 4.074 0.174 7 0 "[ . 1 . 2]" 1
1083 1 75 ASP HB3 1 76 SER H 3.700 . 3.700 3.147 2.592 3.590 . 0 0 "[ . 1 . 2]" 1
1084 1 76 SER H 1 76 SER QB 3.470 . 3.470 2.954 2.623 3.226 . 0 0 "[ . 1 . 2]" 1
1085 1 76 SER H 1 77 ALA H 4.460 . 4.460 4.442 4.346 4.500 0.040 8 0 "[ . 1 . 2]" 1
1086 1 76 SER HA 1 77 ALA H 3.600 . 3.600 2.311 2.192 2.450 . 0 0 "[ . 1 . 2]" 1
1087 1 76 SER HA 1 77 ALA MB 5.010 . 5.010 3.909 3.763 3.994 . 0 0 "[ . 1 . 2]" 1
1088 1 76 SER QB 1 77 ALA H 3.600 . 3.600 2.812 2.337 3.338 . 0 0 "[ . 1 . 2]" 1
1089 1 77 ALA MB 1 78 TYR H 4.290 . 4.290 2.381 2.275 2.521 . 0 0 "[ . 1 . 2]" 1
1090 1 79 LEU H 1 80 TYR H 4.790 . 4.790 4.339 4.195 4.411 . 0 0 "[ . 1 . 2]" 1
1091 1 79 LEU HA 1 79 LEU MD1 4.680 . 4.680 2.923 1.961 3.719 . 0 0 "[ . 1 . 2]" 1
1092 1 79 LEU HA 1 79 LEU QD 3.700 . 3.700 2.362 1.955 3.011 . 0 0 "[ . 1 . 2]" 1
1093 1 79 LEU HA 1 79 LEU MD2 4.680 . 4.680 3.145 2.063 3.878 . 0 0 "[ . 1 . 2]" 1
1094 1 79 LEU QD 1 80 TYR H 4.110 . 4.110 2.392 2.085 2.865 . 0 0 "[ . 1 . 2]" 1
1095 1 79 LEU QD 1 80 TYR QD 5.440 . 5.440 4.910 4.227 5.357 . 0 0 "[ . 1 . 2]" 1
1096 1 79 LEU QD 1 81 LEU QB 5.280 . 5.280 4.016 2.221 4.613 . 0 0 "[ . 1 . 2]" 1
1097 1 79 LEU QD 1 81 LEU QD 3.260 . 3.260 2.046 1.770 2.889 . 0 0 "[ . 1 . 2]" 1
1098 1 79 LEU HG 1 81 LEU QD 4.340 . 4.340 3.484 1.877 4.453 0.113 9 0 "[ . 1 . 2]" 1
1099 1 80 TYR QD 1 82 LEU QD 4.500 . 4.500 2.519 2.052 3.313 . 0 0 "[ . 1 . 2]" 1
1100 1 80 TYR QE 1 82 LEU QD 3.770 . 3.770 2.571 1.773 4.065 0.295 19 0 "[ . 1 . 2]" 1
1101 1 81 LEU HA 1 81 LEU MD1 4.680 . 4.680 3.282 1.961 3.831 . 0 0 "[ . 1 . 2]" 1
1102 1 81 LEU HA 1 81 LEU QD 3.720 . 3.720 2.196 1.955 2.905 . 0 0 "[ . 1 . 2]" 1
1103 1 81 LEU HA 1 81 LEU MD2 4.680 . 4.680 2.700 1.961 3.838 . 0 0 "[ . 1 . 2]" 1
1104 1 81 LEU QB 1 81 LEU QD 2.820 . 2.820 1.941 1.887 1.993 . 0 0 "[ . 1 . 2]" 1
1105 1 81 LEU QD 1 82 LEU H 4.230 . 4.230 3.467 2.273 4.305 0.075 19 0 "[ . 1 . 2]" 1
1106 1 81 LEU HG 1 82 LEU H 4.710 . 4.710 4.432 2.815 4.995 0.285 15 0 "[ . 1 . 2]" 1
1107 1 82 LEU H 1 82 LEU HB2 4.000 . 4.000 2.421 2.195 2.589 . 0 0 "[ . 1 . 2]" 1
1108 1 82 LEU H 1 82 LEU MD1 4.400 . 4.400 3.608 2.131 4.248 . 0 0 "[ . 1 . 2]" 1
1109 1 82 LEU H 1 82 LEU QD 3.710 . 3.710 2.586 1.934 3.399 . 0 0 "[ . 1 . 2]" 1
1110 1 82 LEU H 1 82 LEU MD2 4.400 . 4.400 2.891 1.955 3.927 . 0 0 "[ . 1 . 2]" 1
1111 1 82 LEU H 1 83 SER H 4.570 . 4.570 4.583 4.505 4.634 0.064 17 0 "[ . 1 . 2]" 1
1112 1 82 LEU HA 1 82 LEU MD1 4.270 . 4.270 2.783 1.895 3.850 . 0 0 "[ . 1 . 2]" 1
1113 1 82 LEU HA 1 82 LEU QD 3.400 . 3.400 1.998 1.806 2.392 . 0 0 "[ . 1 . 2]" 1
1114 1 82 LEU HA 1 82 LEU MD2 4.270 . 4.270 2.419 1.937 3.714 . 0 0 "[ . 1 . 2]" 1
1115 1 82 LEU HA 1 83 SER H 3.550 . 3.550 2.362 2.213 2.559 . 0 0 "[ . 1 . 2]" 1
1116 1 82 LEU HB2 1 82 LEU QD 2.760 . 2.760 2.321 2.080 2.528 . 0 0 "[ . 1 . 2]" 1
1117 1 82 LEU HB3 1 82 LEU QD 2.650 . 2.650 2.197 2.038 2.456 . 0 0 "[ . 1 . 2]" 1
1118 1 82 LEU HB3 1 83 SER H 3.220 . 3.220 2.493 2.111 3.041 . 0 0 "[ . 1 . 2]" 1
1119 1 82 LEU HB3 1 83 SER HA 4.690 . 4.690 4.719 4.561 4.842 0.152 19 0 "[ . 1 . 2]" 1
1120 1 82 LEU QD 1 83 SER H 3.410 . 3.410 3.062 2.340 3.674 0.264 11 0 "[ . 1 . 2]" 1
1121 1 83 SER H 1 83 SER QB 3.130 . 3.130 2.759 2.562 2.925 . 0 0 "[ . 1 . 2]" 1
1122 1 83 SER H 1 84 ALA H 4.490 . 4.490 3.424 2.440 4.362 . 0 0 "[ . 1 . 2]" 1
1123 1 83 SER HA 1 84 ALA H 3.390 . 3.390 2.742 2.112 3.480 0.090 1 0 "[ . 1 . 2]" 1
1124 1 83 SER HB2 1 84 ALA H 5.340 . 5.340 3.934 2.709 4.377 . 0 0 "[ . 1 . 2]" 1
1125 1 83 SER HB3 1 84 ALA H 5.340 . 5.340 4.240 3.709 4.621 . 0 0 "[ . 1 . 2]" 1
1126 1 84 ALA H 1 84 ALA MB 3.370 . 3.370 2.367 2.081 2.909 . 0 0 "[ . 1 . 2]" 1
1127 1 84 ALA H 1 85 ARG H 4.990 . 4.990 4.374 2.999 4.638 . 0 0 "[ . 1 . 2]" 1
1128 1 84 ALA HA 1 85 ARG QB 5.340 . 5.340 4.327 3.779 5.017 . 0 0 "[ . 1 . 2]" 1
1129 1 84 ALA MB 1 85 ARG H 3.830 . 3.830 2.352 1.778 3.232 . 0 0 "[ . 1 . 2]" 1
1130 1 84 ALA MB 1 85 ARG HA 4.310 . 4.310 3.939 3.731 4.396 0.086 18 0 "[ . 1 . 2]" 1
1131 1 85 ARG H 1 85 ARG QD 4.880 . 4.880 4.196 2.675 4.913 0.033 7 0 "[ . 1 . 2]" 1
1132 1 85 ARG H 1 85 ARG QG 4.570 . 4.570 3.211 2.056 4.442 . 0 0 "[ . 1 . 2]" 1
1133 1 85 ARG H 1 86 ASN H 5.280 . 5.280 4.284 3.561 4.573 . 0 0 "[ . 1 . 2]" 1
1134 1 85 ARG HA 1 85 ARG QD 4.130 . 4.130 3.466 2.121 4.191 0.061 11 0 "[ . 1 . 2]" 1
1135 1 85 ARG HA 1 85 ARG QG 3.510 . 3.510 2.503 2.040 3.401 . 0 0 "[ . 1 . 2]" 1
1136 1 85 ARG QB 1 85 ARG QD 2.930 . 2.930 2.406 2.131 2.974 0.044 19 0 "[ . 1 . 2]" 1
1137 1 85 ARG QB 1 85 ARG QG 2.370 . 2.370 2.077 2.013 2.122 . 0 0 "[ . 1 . 2]" 1
1138 1 85 ARG QD 1 85 ARG QG 2.330 . 2.330 2.022 1.948 2.121 . 0 0 "[ . 1 . 2]" 1
1139 1 85 ARG HE 1 85 ARG QG 3.520 . 3.520 2.694 2.221 3.409 . 0 0 "[ . 1 . 2]" 1
1140 1 86 ASN HA 1 87 THR H 3.630 . 3.630 2.436 2.099 3.454 . 0 0 "[ . 1 . 2]" 1
1141 1 86 ASN QB 1 86 ASN QD 3.100 . 3.100 2.353 2.199 2.839 . 0 0 "[ . 1 . 2]" 1
1142 1 87 THR HA 1 87 THR MG 3.240 . 3.240 2.397 2.016 3.229 . 0 0 "[ . 1 . 2]" 1
1143 1 88 SER HA 1 89 LEU H 3.190 . 3.190 2.432 2.134 3.408 0.218 6 0 "[ . 1 . 2]" 1
1144 1 88 SER QB 1 89 LEU H 4.220 . 4.220 3.105 2.465 3.935 . 0 0 "[ . 1 . 2]" 1
1145 1 88 SER QB 1 90 ASN H 5.500 . 5.500 3.407 2.373 4.757 . 0 0 "[ . 1 . 2]" 1
1146 1 88 SER HB2 1 89 LEU H 4.840 . 4.840 3.744 2.505 4.538 . 0 0 "[ . 1 . 2]" 1
1147 1 88 SER HB2 1 90 ASN H 5.500 . 5.500 3.903 2.651 5.580 0.080 12 0 "[ . 1 . 2]" 1
1148 1 88 SER HB3 1 89 LEU H 4.840 . 4.840 3.486 2.646 4.643 . 0 0 "[ . 1 . 2]" 1
1149 1 88 SER HB3 1 90 ASN H 5.500 . 5.500 4.010 2.520 5.581 0.081 6 0 "[ . 1 . 2]" 1
1150 1 89 LEU H 1 89 LEU QB 3.200 . 3.200 2.443 2.178 2.928 . 0 0 "[ . 1 . 2]" 1
1151 1 89 LEU H 1 89 LEU QD 4.200 . 4.200 2.747 1.875 3.662 . 0 0 "[ . 1 . 2]" 1
1152 1 89 LEU H 1 89 LEU HG 3.960 . 3.960 2.714 1.777 4.286 0.326 14 0 "[ . 1 . 2]" 1
1153 1 89 LEU H 1 90 ASN H 3.710 . 3.710 2.832 2.270 3.843 0.133 17 0 "[ . 1 . 2]" 1
1154 1 89 LEU HA 1 89 LEU QD 3.430 . 3.430 2.305 1.864 3.384 . 0 0 "[ . 1 . 2]" 1
1155 1 89 LEU HA 1 89 LEU HG 3.960 . 3.960 3.042 2.274 3.636 . 0 0 "[ . 1 . 2]" 1
1156 1 89 LEU HA 1 90 ASN H 3.420 . 3.420 3.210 2.257 3.531 0.111 13 0 "[ . 1 . 2]" 1
1157 1 89 LEU QD 1 90 ASN H 4.480 . 4.480 3.810 2.498 4.315 . 0 0 "[ . 1 . 2]" 1
1158 1 89 LEU HG 1 90 ASN H 5.500 . 5.500 4.408 2.253 5.109 . 0 0 "[ . 1 . 2]" 1
1159 1 90 ASN H 1 90 ASN HB2 3.660 . 3.660 3.209 2.462 3.906 0.246 13 0 "[ . 1 . 2]" 1
1160 1 90 ASN H 1 90 ASN HB3 3.660 . 3.660 3.380 2.569 3.766 0.106 8 0 "[ . 1 . 2]" 1
1161 1 90 ASN H 1 90 ASN HD21 4.330 . 4.330 3.171 2.150 4.339 0.009 7 0 "[ . 1 . 2]" 1
1162 1 90 ASN H 1 90 ASN QD 3.730 . 3.730 2.975 2.093 3.713 . 0 0 "[ . 1 . 2]" 1
1163 1 90 ASN H 1 90 ASN HD22 4.330 . 4.330 3.790 2.867 4.478 0.148 8 0 "[ . 1 . 2]" 1
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