NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
449371 |
2osq   |
7383 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2osq
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 1430
_Distance_constraint_stats_list.Viol_count 2552
_Distance_constraint_stats_list.Viol_total 3493.379
_Distance_constraint_stats_list.Viol_max 0.975
_Distance_constraint_stats_list.Viol_rms 0.0369
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0061
_Distance_constraint_stats_list.Viol_average_violations_only 0.0684
_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 1 GLU 6.589 0.426 20 0 "[ . 1 . 2]"
1 2 LEU 3.817 0.426 20 0 "[ . 1 . 2]"
1 3 SER 1.137 0.065 4 0 "[ . 1 . 2]"
1 4 ASN 2.315 0.067 1 0 "[ . 1 . 2]"
1 5 THR 3.009 0.154 9 0 "[ . 1 . 2]"
1 6 ARG 1.669 0.068 14 0 "[ . 1 . 2]"
1 7 LEU 3.284 0.103 14 0 "[ . 1 . 2]"
1 8 PHE 3.856 0.139 19 0 "[ . 1 . 2]"
1 9 VAL 2.594 0.107 3 0 "[ . 1 . 2]"
1 10 ARG 5.156 0.204 4 0 "[ . 1 . 2]"
1 11 PRO 0.089 0.089 14 0 "[ . 1 . 2]"
1 12 PHE 11.005 0.185 20 0 "[ . 1 . 2]"
1 13 PRO 0.341 0.026 18 0 "[ . 1 . 2]"
1 14 LEU 3.824 0.360 19 0 "[ . 1 . 2]"
1 15 ASP 5.031 0.460 3 0 "[ . 1 . 2]"
1 16 VAL 7.658 0.460 3 0 "[ . 1 . 2]"
1 17 GLN 3.747 0.262 1 0 "[ . 1 . 2]"
1 18 GLU 1.725 0.111 12 0 "[ . 1 . 2]"
1 19 SER 1.356 0.100 19 0 "[ . 1 . 2]"
1 20 GLU 3.595 0.220 19 0 "[ . 1 . 2]"
1 21 LEU 3.343 0.265 19 0 "[ . 1 . 2]"
1 22 ASN 2.936 0.396 7 0 "[ . 1 . 2]"
1 23 GLU 7.979 0.463 7 0 "[ . 1 . 2]"
1 24 ILE 3.968 0.376 13 0 "[ . 1 . 2]"
1 25 PHE 6.070 0.212 17 0 "[ . 1 . 2]"
1 26 GLY 1.966 0.135 13 0 "[ . 1 . 2]"
1 27 PRO 1.934 0.111 13 0 "[ . 1 . 2]"
1 28 PHE 15.439 0.324 3 0 "[ . 1 . 2]"
1 29 GLY 4.633 0.139 13 0 "[ . 1 . 2]"
1 30 PRO 2.321 0.139 13 0 "[ . 1 . 2]"
1 31 MET 12.418 0.704 1 8 "[+*-*.* * * . *2]"
1 32 LYS 2.493 0.619 3 1 "[ + . 1 . 2]"
1 33 GLU 8.604 0.521 4 2 "[ -+. 1 . 2]"
1 34 VAL 1.028 0.083 18 0 "[ . 1 . 2]"
1 35 LYS 2.336 0.104 19 0 "[ . 1 . 2]"
1 36 ILE 8.457 0.755 12 3 "[ . * +- . 2]"
1 37 LEU 1.989 0.466 13 0 "[ . 1 . 2]"
1 38 ASN 2.872 0.204 3 0 "[ . 1 . 2]"
1 39 GLY 4.164 0.185 20 0 "[ . 1 . 2]"
1 40 PHE 3.197 0.122 18 0 "[ . 1 . 2]"
1 41 ALA 0.841 0.114 19 0 "[ . 1 . 2]"
1 42 PHE 3.086 0.103 12 0 "[ . 1 . 2]"
1 43 VAL 1.604 0.103 14 0 "[ . 1 . 2]"
1 44 GLU 2.243 0.091 10 0 "[ . 1 . 2]"
1 45 PHE 12.305 0.704 1 6 "[+* .- * * . *2]"
1 46 GLU 5.980 0.619 3 1 "[ + . 1 . 2]"
1 47 GLU 2.229 0.154 9 0 "[ . 1 . 2]"
1 48 ALA 0.730 0.079 9 0 "[ . 1 . 2]"
1 49 GLU 3.531 0.234 8 0 "[ . 1 . 2]"
1 50 SER 1.308 0.069 8 0 "[ . 1 . 2]"
1 51 ALA 3.228 0.091 6 0 "[ . 1 . 2]"
1 52 ALA 4.581 0.234 8 0 "[ . 1 . 2]"
1 53 LYS 0.060 0.020 2 0 "[ . 1 . 2]"
1 54 ALA 3.647 0.080 9 0 "[ . 1 . 2]"
1 55 ILE 2.025 0.139 16 0 "[ . 1 . 2]"
1 56 GLU 7.205 0.858 12 6 "[ . * *1*+ . -*]"
1 57 GLU 6.978 0.469 7 0 "[ . 1 . 2]"
1 58 VAL 14.456 0.975 2 5 "[*+ . * 1 -. * 2]"
1 59 HIS 2.955 0.189 6 0 "[ . 1 . 2]"
1 60 GLY 2.482 0.518 7 2 "[ - . + 1 . 2]"
1 61 LYS 7.533 0.975 2 5 "[*+ . * 1 *. * 2]"
1 62 SER 1.733 0.147 6 0 "[ . 1 . 2]"
1 63 PHE 1.850 0.129 16 0 "[ . 1 . 2]"
1 64 ALA 4.001 0.507 20 1 "[ . 1 . +]"
1 65 ASN 6.818 0.507 20 1 "[ . 1 . +]"
1 66 GLN 0.229 0.108 6 0 "[ . 1 . 2]"
1 67 PRO 2.333 0.109 16 0 "[ . 1 . 2]"
1 68 LEU 5.021 0.109 16 0 "[ . 1 . 2]"
1 69 GLU 1.880 0.094 4 0 "[ . 1 . 2]"
1 70 VAL 10.298 0.469 7 0 "[ . 1 . 2]"
1 71 VAL 2.094 0.107 3 0 "[ . 1 . 2]"
1 72 TYR 4.704 0.083 15 0 "[ . 1 . 2]"
1 73 SER 1.741 0.079 3 0 "[ . 1 . 2]"
1 74 LYS 9.916 0.552 8 3 "[ * + 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 16 VAL H 1 17 GLN H . . 4.310 4.151 4.103 4.187 . 0 0 "[ . 1 . 2]" 1
2 1 62 SER H 1 62 SER QB . . 3.300 2.870 2.454 3.060 . 0 0 "[ . 1 . 2]" 1
3 1 29 GLY H 1 30 PRO HD3 . . 4.800 4.913 4.875 4.939 0.139 13 0 "[ . 1 . 2]" 1
4 1 62 SER QB 1 66 GLN H . . 4.350 4.210 4.039 4.278 . 0 0 "[ . 1 . 2]" 1
5 1 66 GLN H 1 67 PRO HD2 . . 4.830 4.805 4.796 4.813 . 0 0 "[ . 1 . 2]" 1
6 1 1 GLU H1 1 1 GLU HB2 . . 3.710 3.070 2.324 3.697 . 0 0 "[ . 1 . 2]" 1
7 1 1 GLU HB3 1 2 LEU H . . 4.010 3.611 3.153 3.922 . 0 0 "[ . 1 . 2]" 1
8 1 49 GLU H 1 49 GLU HB2 . . 2.780 2.368 2.248 2.637 . 0 0 "[ . 1 . 2]" 1
9 1 56 GLU QB 1 57 GLU H . . 3.440 3.171 3.105 3.230 . 0 0 "[ . 1 . 2]" 1
10 1 17 GLN HG3 1 20 GLU H . . 3.100 2.454 2.330 3.035 . 0 0 "[ . 1 . 2]" 1
11 1 20 GLU H 1 20 GLU HG3 . . 3.300 2.533 2.456 2.715 . 0 0 "[ . 1 . 2]" 1
12 1 36 ILE HG12 1 37 LEU H . . 5.170 5.010 4.778 5.636 0.466 13 0 "[ . 1 . 2]" 1
13 1 35 LYS H 1 43 VAL QG . . 5.000 3.860 3.253 4.489 . 0 0 "[ . 1 . 2]" 1
14 1 7 LEU HB2 1 9 VAL H . . 5.280 5.149 5.104 5.237 . 0 0 "[ . 1 . 2]" 1
15 1 36 ILE H 1 36 ILE MG . . 3.980 3.632 3.422 3.961 . 0 0 "[ . 1 . 2]" 1
16 1 6 ARG QG 1 44 GLU H . . 4.740 4.690 4.534 4.783 0.043 2 0 "[ . 1 . 2]" 1
17 1 63 PHE H 1 68 LEU MD2 . . 4.470 4.332 4.171 4.478 0.008 20 0 "[ . 1 . 2]" 1
18 1 3 SER HB2 1 6 ARG H . . 4.610 4.443 4.274 4.611 0.001 3 0 "[ . 1 . 2]" 1
19 1 8 PHE H 1 73 SER QB . . 4.250 2.990 2.455 3.944 . 0 0 "[ . 1 . 2]" 1
20 1 62 SER QB 1 65 ASN H . . 4.790 4.661 4.548 4.742 . 0 0 "[ . 1 . 2]" 1
21 1 65 ASN H 1 65 ASN HB3 . . 4.170 4.093 4.074 4.097 . 0 0 "[ . 1 . 2]" 1
22 1 5 THR H 1 6 ARG H . . 3.730 3.725 3.612 3.792 0.062 2 0 "[ . 1 . 2]" 1
23 1 16 VAL MG2 1 39 GLY H . . 4.050 3.712 3.405 3.902 . 0 0 "[ . 1 . 2]" 1
24 1 47 GLU H 1 50 SER QB . . 4.630 3.178 3.093 3.273 . 0 0 "[ . 1 . 2]" 1
25 1 47 GLU HA 1 50 SER H . . 4.600 4.605 4.553 4.640 0.040 9 0 "[ . 1 . 2]" 1
26 1 16 VAL MG2 1 40 PHE H . . 4.640 4.400 4.207 4.536 . 0 0 "[ . 1 . 2]" 1
27 1 60 GLY H 1 70 VAL MG2 . . 4.390 4.374 4.206 4.453 0.063 9 0 "[ . 1 . 2]" 1
28 1 60 GLY H 1 68 LEU HB3 . . 4.580 4.369 4.267 4.427 . 0 0 "[ . 1 . 2]" 1
29 1 61 LYS H 1 68 LEU HB2 . . 2.940 2.903 2.779 2.951 0.011 5 0 "[ . 1 . 2]" 1
30 1 1 GLU H1 1 2 LEU HB3 . . 5.060 4.919 4.689 5.064 0.004 17 0 "[ . 1 . 2]" 1
31 1 4 ASN H 1 5 THR MG . . 4.800 4.816 4.754 4.863 0.063 10 0 "[ . 1 . 2]" 1
32 1 55 ILE HA 1 58 VAL H . . 4.630 4.390 4.267 4.500 . 0 0 "[ . 1 . 2]" 1
33 1 61 LYS HA 1 62 SER H . . 2.700 2.635 2.617 2.651 . 0 0 "[ . 1 . 2]" 1
34 1 17 GLN HA 1 19 SER H . . 4.260 4.094 3.923 4.217 . 0 0 "[ . 1 . 2]" 1
35 1 16 VAL MG2 1 38 ASN HD21 . . 4.380 3.818 3.484 4.131 . 0 0 "[ . 1 . 2]" 1
36 1 16 VAL MG2 1 38 ASN HD22 . . 4.770 4.515 3.966 4.974 0.204 3 0 "[ . 1 . 2]" 1
37 1 55 ILE MD 1 56 GLU H . . 4.770 4.451 4.359 4.646 . 0 0 "[ . 1 . 2]" 1
38 1 55 ILE H 1 56 GLU QB . . 4.840 4.521 4.403 4.714 . 0 0 "[ . 1 . 2]" 1
39 1 37 LEU HB2 1 38 ASN H . . 3.870 3.775 3.719 3.823 . 0 0 "[ . 1 . 2]" 1
40 1 16 VAL MG2 1 38 ASN H . . 4.730 4.318 4.103 4.463 . 0 0 "[ . 1 . 2]" 1
41 1 59 HIS H 1 70 VAL HB . . 3.880 3.359 2.932 3.685 . 0 0 "[ . 1 . 2]" 1
42 1 20 GLU HG3 1 21 LEU H . . 3.320 1.917 1.895 1.948 . 0 0 "[ . 1 . 2]" 1
43 1 12 PHE HB2 1 16 VAL H . . 4.360 4.168 4.136 4.197 . 0 0 "[ . 1 . 2]" 1
44 1 51 ALA H 1 52 ALA MB . . 4.550 4.264 4.180 4.327 . 0 0 "[ . 1 . 2]" 1
45 1 48 ALA MB 1 51 ALA H . . 4.800 4.609 4.531 4.672 . 0 0 "[ . 1 . 2]" 1
46 1 64 ALA H 1 65 ASN HA . . 5.100 4.955 4.919 5.047 . 0 0 "[ . 1 . 2]" 1
47 1 16 VAL MG2 1 37 LEU H . . 3.730 3.622 3.489 3.761 0.031 19 0 "[ . 1 . 2]" 1
48 1 31 MET H 1 45 PHE HA . . 4.680 4.637 4.517 4.728 0.048 12 0 "[ . 1 . 2]" 1
49 1 58 VAL MG1 1 61 LYS H . . 4.280 3.906 3.752 4.064 . 0 0 "[ . 1 . 2]" 1
50 1 61 LYS H 1 68 LEU HB3 . . 4.650 3.938 3.809 4.018 . 0 0 "[ . 1 . 2]" 1
51 1 62 SER QB 1 68 LEU H . . 5.500 4.628 4.355 4.882 . 0 0 "[ . 1 . 2]" 1
52 1 67 PRO HD2 1 68 LEU H . . 5.500 5.565 5.535 5.609 0.109 16 0 "[ . 1 . 2]" 1
53 1 10 ARG H 1 68 LEU MD2 . . 4.250 3.783 3.648 4.021 . 0 0 "[ . 1 . 2]" 1
54 1 54 ALA H 1 56 GLU QB . . 5.500 5.466 5.346 5.521 0.021 14 0 "[ . 1 . 2]" 1
55 1 8 PHE HB2 1 43 VAL H . . 5.490 5.497 5.445 5.558 0.068 9 0 "[ . 1 . 2]" 1
56 1 6 ARG HA 1 43 VAL H . . 4.660 4.173 4.100 4.244 . 0 0 "[ . 1 . 2]" 1
57 1 2 LEU HB2 1 72 TYR H . . 5.500 5.257 5.065 5.353 . 0 0 "[ . 1 . 2]" 1
58 1 2 LEU HB3 1 72 TYR H . . 5.500 5.260 5.137 5.379 . 0 0 "[ . 1 . 2]" 1
59 1 22 ASN H 1 23 GLU HG3 . . 5.320 5.137 4.498 5.716 0.396 7 0 "[ . 1 . 2]" 1
60 1 21 LEU QD 1 23 GLU H . . 5.460 5.204 5.029 5.503 0.043 17 0 "[ . 1 . 2]" 1
61 1 58 VAL H 1 59 HIS HB3 . . 4.760 4.892 4.772 4.949 0.189 6 0 "[ . 1 . 2]" 1
62 1 49 GLU HB3 1 52 ALA H . . 5.500 5.672 5.615 5.734 0.234 8 0 "[ . 1 . 2]" 1
63 1 49 GLU QG 1 52 ALA H . . 5.500 5.134 5.050 5.259 . 0 0 "[ . 1 . 2]" 1
64 1 55 ILE H 1 70 VAL MG1 . . 5.370 4.584 4.435 4.712 . 0 0 "[ . 1 . 2]" 1
65 1 55 ILE MG 1 73 SER H . . 5.500 5.311 5.238 5.481 . 0 0 "[ . 1 . 2]" 1
66 1 71 VAL QG 1 73 SER H . . 5.310 4.053 3.811 4.643 . 0 0 "[ . 1 . 2]" 1
67 1 3 SER HB2 1 73 SER H . . 4.600 4.615 4.552 4.636 0.036 13 0 "[ . 1 . 2]" 1
68 1 12 PHE HB2 1 15 ASP H . . 5.500 5.562 5.516 5.589 0.089 6 0 "[ . 1 . 2]" 1
69 1 53 LYS HA 1 57 GLU H . . 4.670 4.341 4.222 4.418 . 0 0 "[ . 1 . 2]" 1
70 1 53 LYS QD 1 57 GLU H . . 5.500 5.189 4.945 5.439 . 0 0 "[ . 1 . 2]" 1
71 1 17 GLN HG2 1 19 SER H . . 3.890 3.769 3.623 3.903 0.013 17 0 "[ . 1 . 2]" 1
72 1 11 PRO HA 1 39 GLY H . . 4.480 3.282 3.223 3.416 . 0 0 "[ . 1 . 2]" 1
73 1 12 PHE H 1 38 ASN HA . . 5.280 4.841 4.738 5.052 . 0 0 "[ . 1 . 2]" 1
74 1 18 GLU HG3 1 21 LEU H . . 5.500 5.471 5.393 5.567 0.067 17 0 "[ . 1 . 2]" 1
75 1 20 GLU H 1 21 LEU HB2 . . 4.810 4.747 4.560 4.840 0.030 7 0 "[ . 1 . 2]" 1
76 1 8 PHE H 1 72 TYR QD . . 5.500 5.530 5.451 5.583 0.083 15 0 "[ . 1 . 2]" 1
77 1 31 MET H 1 45 PHE QE . . 4.350 3.486 3.129 3.844 . 0 0 "[ . 1 . 2]" 1
78 1 10 ARG H 1 12 PHE QE . . 4.590 4.011 3.864 4.132 . 0 0 "[ . 1 . 2]" 1
79 1 12 PHE QE 1 41 ALA H . . 4.340 4.359 4.294 4.385 0.045 1 0 "[ . 1 . 2]" 1
80 1 25 PHE QE 1 58 VAL H . . 5.350 5.150 5.043 5.262 . 0 0 "[ . 1 . 2]" 1
81 1 12 PHE H 1 12 PHE QE . . 4.520 4.429 4.324 4.488 . 0 0 "[ . 1 . 2]" 1
82 1 31 MET HG3 1 33 GLU H . . 5.370 5.608 5.171 5.891 0.521 4 2 "[ -+. 1 . 2]" 1
83 1 17 GLN H 1 18 GLU H . . 4.480 4.401 4.375 4.412 . 0 0 "[ . 1 . 2]" 1
84 1 17 GLN H 1 20 GLU H . . 3.860 3.781 3.614 3.885 0.025 2 0 "[ . 1 . 2]" 1
85 1 15 ASP H 1 16 VAL H . . 2.770 2.801 2.776 2.826 0.056 9 0 "[ . 1 . 2]" 1
86 1 14 LEU H 1 16 VAL H . . 4.470 4.466 4.438 4.477 0.007 9 0 "[ . 1 . 2]" 1
87 1 18 GLU H 1 19 SER H . . 3.080 2.584 2.533 2.727 . 0 0 "[ . 1 . 2]" 1
88 1 19 SER H 1 20 GLU H . . 3.120 2.868 2.797 2.914 . 0 0 "[ . 1 . 2]" 1
89 1 19 SER H 1 21 LEU H . . 4.110 4.059 3.992 4.101 . 0 0 "[ . 1 . 2]" 1
90 1 18 GLU H 1 20 GLU H . . 4.840 4.724 4.586 4.853 0.013 9 0 "[ . 1 . 2]" 1
91 1 20 GLU H 1 21 LEU H . . 2.850 2.561 2.509 2.594 . 0 0 "[ . 1 . 2]" 1
92 1 21 LEU H 1 23 GLU H . . 4.390 4.136 3.949 4.254 . 0 0 "[ . 1 . 2]" 1
93 1 22 ASN H 1 23 GLU H . . 2.930 2.491 2.434 2.556 . 0 0 "[ . 1 . 2]" 1
94 1 21 LEU H 1 22 ASN H . . 2.820 2.671 2.589 2.730 . 0 0 "[ . 1 . 2]" 1
95 1 22 ASN H 1 22 ASN HD21 . . 4.320 2.479 2.111 3.077 . 0 0 "[ . 1 . 2]" 1
96 1 23 GLU H 1 25 PHE H . . 4.500 4.419 4.160 4.502 0.002 13 0 "[ . 1 . 2]" 1
97 1 24 ILE H 1 25 PHE QD . . 3.920 3.696 3.561 3.797 . 0 0 "[ . 1 . 2]" 1
98 1 23 GLU H 1 24 ILE H . . 2.950 2.503 2.462 2.531 . 0 0 "[ . 1 . 2]" 1
99 1 24 ILE H 1 25 PHE H . . 2.910 2.400 2.253 2.483 . 0 0 "[ . 1 . 2]" 1
100 1 24 ILE H 1 26 GLY H . . 4.120 3.196 3.151 3.283 . 0 0 "[ . 1 . 2]" 1
101 1 22 ASN H 1 24 ILE H . . 4.300 3.735 3.653 3.840 . 0 0 "[ . 1 . 2]" 1
102 1 25 PHE H 1 26 GLY H . . 3.330 2.497 2.393 2.532 . 0 0 "[ . 1 . 2]" 1
103 1 8 PHE H 1 71 VAL H . . 3.630 2.958 2.872 3.013 . 0 0 "[ . 1 . 2]" 1
104 1 72 TYR H 1 72 TYR QD . . 3.570 3.607 3.556 3.647 0.077 15 0 "[ . 1 . 2]" 1
105 1 8 PHE H 1 72 TYR H . . 5.070 4.782 4.737 4.816 . 0 0 "[ . 1 . 2]" 1
106 1 8 PHE H 1 73 SER H . . 4.050 2.517 2.413 2.638 . 0 0 "[ . 1 . 2]" 1
107 1 72 TYR H 1 73 SER H . . 4.410 4.265 4.206 4.316 . 0 0 "[ . 1 . 2]" 1
108 1 60 GLY H 1 61 LYS H . . 3.070 2.304 2.225 2.379 . 0 0 "[ . 1 . 2]" 1
109 1 61 LYS H 1 68 LEU H . . 3.990 3.748 3.522 3.855 . 0 0 "[ . 1 . 2]" 1
110 1 73 SER H 1 74 LYS H . . 4.590 4.512 4.428 4.542 . 0 0 "[ . 1 . 2]" 1
111 1 31 MET H 1 32 LYS H . . 4.590 4.414 4.386 4.527 . 0 0 "[ . 1 . 2]" 1
112 1 26 GLY H 1 27 PRO HD2 . . 3.580 2.180 2.150 2.203 . 0 0 "[ . 1 . 2]" 1
113 1 26 GLY H 1 27 PRO HD3 . . 3.380 3.207 3.179 3.235 . 0 0 "[ . 1 . 2]" 1
114 1 39 GLY H 1 39 GLY HA2 . . 2.880 2.572 2.535 2.596 . 0 0 "[ . 1 . 2]" 1
115 1 59 HIS HA 1 60 GLY H . . 2.590 2.145 2.143 2.149 . 0 0 "[ . 1 . 2]" 1
116 1 60 GLY H 1 60 GLY HA2 . . 2.950 2.370 2.347 2.407 . 0 0 "[ . 1 . 2]" 1
117 1 41 ALA HA 1 42 PHE H . . 2.720 2.315 2.278 2.366 . 0 0 "[ . 1 . 2]" 1
118 1 48 ALA MB 1 49 GLU H . . 2.940 2.621 2.508 2.761 . 0 0 "[ . 1 . 2]" 1
119 1 51 ALA H 1 52 ALA H . . 2.920 2.706 2.658 2.780 . 0 0 "[ . 1 . 2]" 1
120 1 51 ALA H 1 51 ALA HA . . 2.880 2.840 2.817 2.854 . 0 0 "[ . 1 . 2]" 1
121 1 51 ALA H 1 51 ALA MB . . 2.610 2.090 2.044 2.149 . 0 0 "[ . 1 . 2]" 1
122 1 51 ALA MB 1 52 ALA H . . 2.910 2.466 2.424 2.487 . 0 0 "[ . 1 . 2]" 1
123 1 52 ALA H 1 52 ALA HA . . 2.900 2.771 2.762 2.783 . 0 0 "[ . 1 . 2]" 1
124 1 53 LYS H 1 53 LYS HA . . 2.900 2.868 2.849 2.884 . 0 0 "[ . 1 . 2]" 1
125 1 52 ALA H 1 52 ALA MB . . 2.480 2.080 2.026 2.220 . 0 0 "[ . 1 . 2]" 1
126 1 54 ALA H 1 54 ALA MB . . 2.570 2.124 2.065 2.208 . 0 0 "[ . 1 . 2]" 1
127 1 54 ALA MB 1 55 ILE H . . 3.020 2.805 2.742 2.839 . 0 0 "[ . 1 . 2]" 1
128 1 64 ALA H 1 64 ALA MB . . 3.180 2.852 2.782 2.899 . 0 0 "[ . 1 . 2]" 1
129 1 64 ALA H 1 64 ALA HA . . 2.760 2.276 2.275 2.279 . 0 0 "[ . 1 . 2]" 1
130 1 64 ALA HA 1 65 ASN H . . 2.900 2.845 2.819 2.883 . 0 0 "[ . 1 . 2]" 1
131 1 64 ALA MB 1 65 ASN H . . 3.790 3.667 3.652 3.677 . 0 0 "[ . 1 . 2]" 1
132 1 3 SER H 1 4 ASN H . . 4.680 4.483 4.458 4.508 . 0 0 "[ . 1 . 2]" 1
133 1 2 LEU H 1 3 SER H . . 4.820 4.586 4.559 4.617 . 0 0 "[ . 1 . 2]" 1
134 1 50 SER H 1 50 SER QB . . 3.040 2.286 2.167 2.422 . 0 0 "[ . 1 . 2]" 1
135 1 50 SER H 1 51 ALA MB . . 4.420 4.360 4.337 4.389 . 0 0 "[ . 1 . 2]" 1
136 1 50 SER H 1 50 SER HA . . 2.890 2.778 2.773 2.790 . 0 0 "[ . 1 . 2]" 1
137 1 50 SER QB 1 51 ALA H . . 3.430 2.626 2.482 2.704 . 0 0 "[ . 1 . 2]" 1
138 1 63 PHE H 1 64 ALA H . . 4.280 4.092 4.040 4.173 . 0 0 "[ . 1 . 2]" 1
139 1 9 VAL H 1 9 VAL HB . . 3.250 2.827 2.791 2.870 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL H 1 9 VAL MG1 . . 3.900 3.841 3.825 3.856 . 0 0 "[ . 1 . 2]" 1
141 1 9 VAL H 1 9 VAL MG2 . . 3.280 2.099 2.008 2.226 . 0 0 "[ . 1 . 2]" 1
142 1 5 THR H 1 5 THR MG . . 3.460 3.187 3.096 3.321 . 0 0 "[ . 1 . 2]" 1
143 1 43 VAL H 1 43 VAL HB . . 3.360 3.076 2.820 3.372 0.012 1 0 "[ . 1 . 2]" 1
144 1 43 VAL HA 1 44 GLU H . . 2.550 2.143 2.141 2.149 . 0 0 "[ . 1 . 2]" 1
145 1 43 VAL H 1 43 VAL QG . . 3.170 2.558 2.047 2.978 . 0 0 "[ . 1 . 2]" 1
146 1 33 GLU QG 1 34 VAL H . . 2.730 2.211 1.940 2.595 . 0 0 "[ . 1 . 2]" 1
147 1 34 VAL H 1 34 VAL MG1 . . 3.790 3.404 3.362 3.475 . 0 0 "[ . 1 . 2]" 1
148 1 34 VAL H 1 34 VAL MG2 . . 3.350 2.283 2.176 2.367 . 0 0 "[ . 1 . 2]" 1
149 1 31 MET HA 1 33 GLU H . . 4.010 3.698 3.572 3.942 . 0 0 "[ . 1 . 2]" 1
150 1 16 VAL H 1 16 VAL HB . . 2.750 2.767 2.756 2.779 0.029 13 0 "[ . 1 . 2]" 1
151 1 16 VAL H 1 16 VAL MG1 . . 2.550 1.980 1.950 2.021 . 0 0 "[ . 1 . 2]" 1
152 1 15 ASP H 1 15 ASP HB3 . . 3.700 3.380 2.724 3.652 . 0 0 "[ . 1 . 2]" 1
153 1 15 ASP H 1 15 ASP HB2 . . 3.080 2.384 2.243 2.626 . 0 0 "[ . 1 . 2]" 1
154 1 3 SER HB3 1 5 THR H . . 4.310 2.787 2.541 2.969 . 0 0 "[ . 1 . 2]" 1
155 1 38 ASN HA 1 39 GLY H . . 2.660 2.240 2.223 2.266 . 0 0 "[ . 1 . 2]" 1
156 1 38 ASN HB3 1 39 GLY H . . 4.150 4.144 3.954 4.302 0.152 18 0 "[ . 1 . 2]" 1
157 1 38 ASN HB2 1 39 GLY H . . 4.820 4.578 4.429 4.664 . 0 0 "[ . 1 . 2]" 1
158 1 38 ASN H 1 38 ASN HB2 . . 3.480 2.317 2.171 2.646 . 0 0 "[ . 1 . 2]" 1
159 1 38 ASN H 1 38 ASN HB3 . . 3.620 3.264 2.934 3.590 . 0 0 "[ . 1 . 2]" 1
160 1 24 ILE H 1 24 ILE HB . . 2.820 2.438 2.366 2.490 . 0 0 "[ . 1 . 2]" 1
161 1 24 ILE HB 1 25 PHE H . . 3.180 2.354 2.297 2.541 . 0 0 "[ . 1 . 2]" 1
162 1 24 ILE H 1 24 ILE HG13 . . 3.230 2.734 2.649 2.823 . 0 0 "[ . 1 . 2]" 1
163 1 24 ILE H 1 24 ILE MD . . 3.740 3.610 3.539 3.693 . 0 0 "[ . 1 . 2]" 1
164 1 55 ILE H 1 55 ILE HB . . 2.750 2.460 2.421 2.486 . 0 0 "[ . 1 . 2]" 1
165 1 55 ILE H 1 55 ILE HG13 . . 2.850 2.287 2.235 2.341 . 0 0 "[ . 1 . 2]" 1
166 1 55 ILE H 1 55 ILE MD . . 3.710 3.274 3.204 3.458 . 0 0 "[ . 1 . 2]" 1
167 1 31 MET H 1 31 MET HG3 . . 3.670 2.130 1.950 2.464 . 0 0 "[ . 1 . 2]" 1
168 1 31 MET H 1 31 MET HG2 . . 3.800 3.271 2.438 3.708 . 0 0 "[ . 1 . 2]" 1
169 1 31 MET H 1 31 MET QB . . 3.070 2.597 2.517 2.683 . 0 0 "[ . 1 . 2]" 1
170 1 16 VAL HA 1 17 GLN H . . 2.410 2.239 2.222 2.261 . 0 0 "[ . 1 . 2]" 1
171 1 18 GLU H 1 36 ILE MD . . 3.280 2.763 2.387 3.327 0.047 19 0 "[ . 1 . 2]" 1
172 1 17 GLN HB2 1 18 GLU H . . 3.030 2.338 2.109 2.619 . 0 0 "[ . 1 . 2]" 1
173 1 18 GLU H 1 18 GLU HB3 . . 3.240 2.512 2.403 2.585 . 0 0 "[ . 1 . 2]" 1
174 1 18 GLU H 1 18 GLU HG3 . . 3.580 3.168 2.951 3.474 . 0 0 "[ . 1 . 2]" 1
175 1 18 GLU H 1 18 GLU HG2 . . 3.050 2.283 2.164 2.533 . 0 0 "[ . 1 . 2]" 1
176 1 29 GLY H 1 31 MET H . . 5.070 4.788 4.504 5.040 . 0 0 "[ . 1 . 2]" 1
177 1 28 PHE H 1 29 GLY H . . 2.830 1.892 1.877 1.914 . 0 0 "[ . 1 . 2]" 1
178 1 26 GLY H 1 28 PHE H . . 5.220 5.216 5.194 5.247 0.027 17 0 "[ . 1 . 2]" 1
179 1 13 PRO HA 1 14 LEU H . . 2.760 2.753 2.741 2.766 0.006 13 0 "[ . 1 . 2]" 1
180 1 59 HIS H 1 59 HIS HB2 . . 3.010 2.628 2.523 2.701 . 0 0 "[ . 1 . 2]" 1
181 1 59 HIS H 1 59 HIS HB3 . . 2.850 2.437 2.372 2.548 . 0 0 "[ . 1 . 2]" 1
182 1 31 MET HA 1 32 LYS H . . 2.900 2.148 2.141 2.153 . 0 0 "[ . 1 . 2]" 1
183 1 32 LYS HB3 1 33 GLU H . . 2.980 2.850 2.561 3.241 0.261 12 0 "[ . 1 . 2]" 1
184 1 34 VAL HA 1 35 LYS H . . 2.540 2.185 2.141 2.264 . 0 0 "[ . 1 . 2]" 1
185 1 33 GLU HA 1 34 VAL H . . 2.550 2.409 2.324 2.442 . 0 0 "[ . 1 . 2]" 1
186 1 35 LYS HA 1 36 ILE H . . 2.470 2.174 2.159 2.191 . 0 0 "[ . 1 . 2]" 1
187 1 35 LYS H 1 35 LYS QD . . 3.120 2.992 2.330 3.224 0.104 19 0 "[ . 1 . 2]" 1
188 1 35 LYS H 1 35 LYS QE . . 5.500 4.496 4.105 4.726 . 0 0 "[ . 1 . 2]" 1
189 1 35 LYS H 1 42 PHE HB3 . . 5.500 4.429 4.131 4.978 . 0 0 "[ . 1 . 2]" 1
190 1 61 LYS H 1 61 LYS HA . . 2.910 2.876 2.841 2.905 . 0 0 "[ . 1 . 2]" 1
191 1 61 LYS H 1 61 LYS HB2 . . 2.730 2.300 2.229 2.370 . 0 0 "[ . 1 . 2]" 1
192 1 6 ARG HA 1 7 LEU H . . 3.010 2.141 2.140 2.143 . 0 0 "[ . 1 . 2]" 1
193 1 9 VAL HA 1 10 ARG H . . 2.660 2.421 2.401 2.450 . 0 0 "[ . 1 . 2]" 1
194 1 8 PHE H 1 8 PHE HB2 . . 3.490 3.144 3.030 3.310 . 0 0 "[ . 1 . 2]" 1
195 1 8 PHE H 1 8 PHE HB3 . . 3.240 2.259 2.197 2.312 . 0 0 "[ . 1 . 2]" 1
196 1 8 PHE HB2 1 9 VAL H . . 4.310 4.068 3.914 4.198 . 0 0 "[ . 1 . 2]" 1
197 1 8 PHE HB3 1 9 VAL H . . 4.700 4.452 4.414 4.511 . 0 0 "[ . 1 . 2]" 1
198 1 25 PHE H 1 25 PHE HB3 . . 3.620 3.603 3.597 3.611 . 0 0 "[ . 1 . 2]" 1
199 1 25 PHE H 1 25 PHE HB2 . . 3.160 2.394 2.372 2.415 . 0 0 "[ . 1 . 2]" 1
200 1 29 GLY H 1 29 GLY HA2 . . 2.850 2.741 2.727 2.760 . 0 0 "[ . 1 . 2]" 1
201 1 28 PHE H 1 28 PHE HB2 . . 3.030 2.784 2.760 2.806 . 0 0 "[ . 1 . 2]" 1
202 1 28 PHE H 1 28 PHE HB3 . . 3.910 3.812 3.788 3.828 . 0 0 "[ . 1 . 2]" 1
203 1 39 GLY HA3 1 40 PHE H . . 3.490 3.055 3.034 3.112 . 0 0 "[ . 1 . 2]" 1
204 1 39 GLY HA2 1 40 PHE H . . 3.460 3.444 3.410 3.456 . 0 0 "[ . 1 . 2]" 1
205 1 40 PHE HA 1 41 ALA H . . 2.940 2.284 2.242 2.311 . 0 0 "[ . 1 . 2]" 1
206 1 40 PHE H 1 40 PHE HB2 . . 3.990 3.800 3.765 3.825 . 0 0 "[ . 1 . 2]" 1
207 1 40 PHE H 1 40 PHE HB3 . . 4.150 3.831 3.820 3.865 . 0 0 "[ . 1 . 2]" 1
208 1 40 PHE HB3 1 41 ALA H . . 3.650 3.513 3.486 3.554 . 0 0 "[ . 1 . 2]" 1
209 1 40 PHE HB2 1 41 ALA H . . 3.450 2.877 2.783 3.050 . 0 0 "[ . 1 . 2]" 1
210 1 42 PHE H 1 42 PHE HB3 . . 4.160 3.908 3.862 3.956 . 0 0 "[ . 1 . 2]" 1
211 1 42 PHE H 1 42 PHE HB2 . . 3.270 2.887 2.792 2.985 . 0 0 "[ . 1 . 2]" 1
212 1 42 PHE HA 1 43 VAL H . . 2.610 2.249 2.214 2.287 . 0 0 "[ . 1 . 2]" 1
213 1 42 PHE HB3 1 43 VAL H . . 3.390 2.868 2.742 2.990 . 0 0 "[ . 1 . 2]" 1
214 1 42 PHE HB2 1 43 VAL H . . 4.150 3.829 3.713 3.904 . 0 0 "[ . 1 . 2]" 1
215 1 44 GLU HA 1 45 PHE H . . 3.010 2.147 2.141 2.150 . 0 0 "[ . 1 . 2]" 1
216 1 45 PHE H 1 45 PHE HB3 . . 3.660 3.493 3.478 3.525 . 0 0 "[ . 1 . 2]" 1
217 1 45 PHE H 1 45 PHE HB2 . . 3.380 2.201 2.189 2.234 . 0 0 "[ . 1 . 2]" 1
218 1 63 PHE HA 1 64 ALA H . . 2.810 2.174 2.157 2.208 . 0 0 "[ . 1 . 2]" 1
219 1 63 PHE H 1 63 PHE HB2 . . 3.590 3.410 3.361 3.487 . 0 0 "[ . 1 . 2]" 1
220 1 63 PHE H 1 63 PHE HB3 . . 3.340 3.204 3.143 3.246 . 0 0 "[ . 1 . 2]" 1
221 1 6 ARG H 1 6 ARG QG . . 4.280 4.237 4.196 4.334 0.054 10 0 "[ . 1 . 2]" 1
222 1 6 ARG H 1 6 ARG HB2 . . 3.600 3.204 3.162 3.226 . 0 0 "[ . 1 . 2]" 1
223 1 58 VAL HA 1 61 LYS H . . 4.650 4.275 4.192 4.372 . 0 0 "[ . 1 . 2]" 1
224 1 73 SER H 1 73 SER QB . . 3.420 2.409 2.152 2.920 . 0 0 "[ . 1 . 2]" 1
225 1 73 SER QB 1 74 LYS H . . 4.170 3.625 3.261 3.822 . 0 0 "[ . 1 . 2]" 1
226 1 73 SER HA 1 74 LYS H . . 2.920 2.142 2.138 2.148 . 0 0 "[ . 1 . 2]" 1
227 1 62 SER QB 1 63 PHE H . . 3.280 2.859 2.716 2.955 . 0 0 "[ . 1 . 2]" 1
228 1 17 GLN HE21 1 20 GLU HG2 . . 5.500 5.275 4.990 5.526 0.026 17 0 "[ . 1 . 2]" 1
229 1 3 SER H 1 3 SER HB2 . . 3.200 2.363 2.324 2.407 . 0 0 "[ . 1 . 2]" 1
230 1 3 SER H 1 3 SER HB3 . . 3.690 3.571 3.548 3.615 . 0 0 "[ . 1 . 2]" 1
231 1 3 SER HB3 1 4 ASN H . . 4.040 2.190 2.142 2.271 . 0 0 "[ . 1 . 2]" 1
232 1 3 SER HB2 1 4 ASN H . . 3.910 3.649 3.588 3.714 . 0 0 "[ . 1 . 2]" 1
233 1 13 PRO HB3 1 14 LEU H . . 3.360 3.128 3.119 3.136 . 0 0 "[ . 1 . 2]" 1
234 1 13 PRO HB2 1 14 LEU H . . 3.500 1.847 1.820 1.871 . 0 0 "[ . 1 . 2]" 1
235 1 68 LEU H 1 68 LEU HG . . 3.060 2.882 2.766 2.957 . 0 0 "[ . 1 . 2]" 1
236 1 68 LEU H 1 68 LEU HB2 . . 3.050 2.249 2.213 2.289 . 0 0 "[ . 1 . 2]" 1
237 1 67 PRO HA 1 68 LEU H . . 2.760 2.153 2.150 2.161 . 0 0 "[ . 1 . 2]" 1
238 1 68 LEU HA 1 69 GLU H . . 2.600 2.378 2.284 2.425 . 0 0 "[ . 1 . 2]" 1
239 1 69 GLU H 1 70 VAL H . . 4.220 4.185 4.153 4.215 . 0 0 "[ . 1 . 2]" 1
240 1 70 VAL HA 1 71 VAL H . . 2.600 2.203 2.171 2.237 . 0 0 "[ . 1 . 2]" 1
241 1 70 VAL HB 1 71 VAL H . . 4.320 3.841 3.722 3.934 . 0 0 "[ . 1 . 2]" 1
242 1 71 VAL HA 1 72 TYR H . . 2.660 2.477 2.428 2.492 . 0 0 "[ . 1 . 2]" 1
243 1 71 VAL H 1 71 VAL QG . . 2.960 2.295 2.140 2.579 . 0 0 "[ . 1 . 2]" 1
244 1 71 VAL H 1 71 VAL HB . . 4.130 3.743 3.056 3.933 . 0 0 "[ . 1 . 2]" 1
245 1 71 VAL HB 1 72 TYR H . . 3.130 2.435 2.226 3.193 0.063 11 0 "[ . 1 . 2]" 1
246 1 71 VAL QG 1 72 TYR H . . 3.560 2.747 1.861 3.012 . 0 0 "[ . 1 . 2]" 1
247 1 72 TYR H 1 72 TYR HB2 . . 2.980 2.089 2.081 2.094 . 0 0 "[ . 1 . 2]" 1
248 1 72 TYR H 1 72 TYR HB3 . . 3.590 3.328 3.309 3.353 . 0 0 "[ . 1 . 2]" 1
249 1 72 TYR HA 1 73 SER H . . 3.120 2.188 2.167 2.212 . 0 0 "[ . 1 . 2]" 1
250 1 72 TYR HB3 1 73 SER H . . 4.250 3.996 3.939 4.053 . 0 0 "[ . 1 . 2]" 1
251 1 72 TYR HB2 1 73 SER H . . 4.820 4.636 4.622 4.649 . 0 0 "[ . 1 . 2]" 1
252 1 2 LEU H 1 2 LEU HB3 . . 3.040 2.688 2.627 2.738 . 0 0 "[ . 1 . 2]" 1
253 1 2 LEU H 1 2 LEU HG . . 2.810 1.940 1.905 1.985 . 0 0 "[ . 1 . 2]" 1
254 1 2 LEU H 1 2 LEU MD1 . . 3.420 3.353 3.301 3.425 0.005 10 0 "[ . 1 . 2]" 1
255 1 2 LEU H 1 2 LEU MD2 . . 3.350 3.244 3.165 3.306 . 0 0 "[ . 1 . 2]" 1
256 1 1 GLU H1 1 1 GLU HB3 . . 3.300 3.135 2.696 3.601 0.301 15 0 "[ . 1 . 2]" 1
257 1 1 GLU HB2 1 2 LEU H . . 3.750 3.170 2.366 3.942 0.192 14 0 "[ . 1 . 2]" 1
258 1 1 GLU H1 1 1 GLU HG2 . . 3.530 2.637 1.947 3.554 0.024 20 0 "[ . 1 . 2]" 1
259 1 1 GLU H1 1 1 GLU HG3 . . 3.400 3.133 2.818 3.552 0.152 15 0 "[ . 1 . 2]" 1
260 1 4 ASN H 1 4 ASN QB . . 3.560 2.312 2.239 2.413 . 0 0 "[ . 1 . 2]" 1
261 1 4 ASN QB 1 5 THR H . . 4.610 2.740 2.344 3.420 . 0 0 "[ . 1 . 2]" 1
262 1 19 SER H 1 19 SER HB3 . . 2.830 2.785 2.695 2.830 0.000 8 0 "[ . 1 . 2]" 1
263 1 19 SER H 1 19 SER HB2 . . 2.850 2.315 2.278 2.387 . 0 0 "[ . 1 . 2]" 1
264 1 19 SER HB2 1 20 GLU H . . 3.780 3.610 3.542 3.723 . 0 0 "[ . 1 . 2]" 1
265 1 19 SER HB3 1 20 GLU H . . 3.650 2.360 2.279 2.458 . 0 0 "[ . 1 . 2]" 1
266 1 23 GLU HG2 1 24 ILE H . . 5.170 4.423 2.729 5.016 . 0 0 "[ . 1 . 2]" 1
267 1 23 GLU H 1 23 GLU HG2 . . 3.540 2.858 2.280 3.520 . 0 0 "[ . 1 . 2]" 1
268 1 23 GLU H 1 23 GLU HG3 . . 3.160 3.164 2.655 3.623 0.463 7 0 "[ . 1 . 2]" 1
269 1 23 GLU H 1 23 GLU QB . . 2.660 2.339 2.194 2.444 . 0 0 "[ . 1 . 2]" 1
270 1 23 GLU QB 1 24 ILE H . . 4.020 3.162 3.022 3.657 . 0 0 "[ . 1 . 2]" 1
271 1 23 GLU HG3 1 24 ILE H . . 4.810 4.576 2.397 5.186 0.376 13 0 "[ . 1 . 2]" 1
272 1 22 ASN H 1 22 ASN HB2 . . 2.860 2.204 2.141 2.243 . 0 0 "[ . 1 . 2]" 1
273 1 22 ASN HA 1 23 GLU H . . 3.570 3.533 3.504 3.548 . 0 0 "[ . 1 . 2]" 1
274 1 21 LEU HB3 1 22 ASN H . . 3.870 3.716 3.592 3.909 0.039 9 0 "[ . 1 . 2]" 1
275 1 21 LEU HB2 1 22 ASN H . . 3.180 2.681 2.550 2.906 . 0 0 "[ . 1 . 2]" 1
276 1 21 LEU HG 1 22 ASN H . . 4.690 4.424 4.300 4.818 0.128 17 0 "[ . 1 . 2]" 1
277 1 37 LEU HA 1 38 ASN H . . 3.240 2.250 2.226 2.262 . 0 0 "[ . 1 . 2]" 1
278 1 36 ILE HA 1 37 LEU H . . 2.680 2.153 2.151 2.155 . 0 0 "[ . 1 . 2]" 1
279 1 37 LEU H 1 37 LEU HB3 . . 3.890 3.808 3.802 3.813 . 0 0 "[ . 1 . 2]" 1
280 1 49 GLU H 1 49 GLU HA . . 2.840 2.788 2.774 2.809 . 0 0 "[ . 1 . 2]" 1
281 1 47 GLU HB2 1 50 SER H . . 3.380 3.136 3.079 3.205 . 0 0 "[ . 1 . 2]" 1
282 1 49 GLU HB3 1 50 SER H . . 3.250 2.340 2.308 2.420 . 0 0 "[ . 1 . 2]" 1
283 1 49 GLU H 1 49 GLU HB3 . . 2.850 2.696 2.414 2.839 . 0 0 "[ . 1 . 2]" 1
284 1 47 GLU HB3 1 49 GLU H . . 2.990 2.919 2.725 3.000 0.010 20 0 "[ . 1 . 2]" 1
285 1 47 GLU HB3 1 50 SER H . . 3.210 2.568 2.484 2.645 . 0 0 "[ . 1 . 2]" 1
286 1 49 GLU QG 1 50 SER H . . 4.110 3.641 3.151 3.979 . 0 0 "[ . 1 . 2]" 1
287 1 46 GLU H 1 46 GLU HB2 . . 3.170 2.542 2.281 3.458 0.288 12 0 "[ . 1 . 2]" 1
288 1 46 GLU H 1 46 GLU HB3 . . 3.390 2.627 2.150 3.547 0.157 3 0 "[ . 1 . 2]" 1
289 1 46 GLU HA 1 47 GLU H . . 3.500 3.283 3.248 3.356 . 0 0 "[ . 1 . 2]" 1
290 1 58 VAL H 1 58 VAL HB . . 2.880 2.712 2.685 2.728 . 0 0 "[ . 1 . 2]" 1
291 1 58 VAL H 1 58 VAL MG1 . . 3.820 3.752 3.749 3.759 . 0 0 "[ . 1 . 2]" 1
292 1 58 VAL H 1 58 VAL MG2 . . 2.810 2.012 1.959 2.069 . 0 0 "[ . 1 . 2]" 1
293 1 57 GLU H 1 57 GLU HG3 . . 3.680 3.424 3.293 3.570 . 0 0 "[ . 1 . 2]" 1
294 1 57 GLU H 1 57 GLU HG2 . . 3.070 2.583 2.396 2.695 . 0 0 "[ . 1 . 2]" 1
295 1 57 GLU H 1 57 GLU HB2 . . 2.790 2.483 2.459 2.506 . 0 0 "[ . 1 . 2]" 1
296 1 56 GLU HA 1 57 GLU H . . 3.450 3.387 3.353 3.445 . 0 0 "[ . 1 . 2]" 1
297 1 56 GLU H 1 56 GLU HG3 . . 3.590 3.727 2.831 4.448 0.858 12 6 "[ . * *1*+ . -*]" 1
298 1 56 GLU H 1 56 GLU QB . . 2.530 2.219 2.142 2.394 . 0 0 "[ . 1 . 2]" 1
299 1 68 LEU H 1 68 LEU MD1 . . 4.000 3.888 3.820 3.966 . 0 0 "[ . 1 . 2]" 1
300 1 69 GLU H 1 69 GLU QG . . 4.560 3.409 2.660 4.083 . 0 0 "[ . 1 . 2]" 1
301 1 53 LYS H 1 53 LYS QB . . 2.550 2.216 2.151 2.305 . 0 0 "[ . 1 . 2]" 1
302 1 52 ALA MB 1 53 LYS H . . 2.860 2.779 2.703 2.871 0.011 15 0 "[ . 1 . 2]" 1
303 1 53 LYS H 1 53 LYS QG . . 3.220 2.805 2.532 2.985 . 0 0 "[ . 1 . 2]" 1
304 1 65 ASN HA 1 66 GLN H . . 2.960 2.891 2.820 2.972 0.012 2 0 "[ . 1 . 2]" 1
305 1 66 GLN H 1 66 GLN QB . . 3.080 2.854 2.743 3.188 0.108 6 0 "[ . 1 . 2]" 1
306 1 66 GLN H 1 66 GLN QG . . 3.290 3.114 2.657 3.259 . 0 0 "[ . 1 . 2]" 1
307 1 42 PHE H 1 42 PHE QD . . 3.430 3.025 2.689 3.336 . 0 0 "[ . 1 . 2]" 1
308 1 50 SER HA 1 54 ALA H . . 3.990 3.960 3.855 4.021 0.031 9 0 "[ . 1 . 2]" 1
309 1 51 ALA HA 1 54 ALA H . . 3.860 3.522 3.465 3.572 . 0 0 "[ . 1 . 2]" 1
310 1 20 GLU H 1 20 GLU HG2 . . 2.980 2.079 1.934 2.214 . 0 0 "[ . 1 . 2]" 1
311 1 33 GLU H 1 33 GLU HB3 . . 3.880 3.403 3.184 3.644 . 0 0 "[ . 1 . 2]" 1
312 1 44 GLU H 1 44 GLU HG2 . . 4.490 4.378 4.327 4.429 . 0 0 "[ . 1 . 2]" 1
313 1 33 GLU HB3 1 44 GLU H . . 4.150 3.658 3.357 3.971 . 0 0 "[ . 1 . 2]" 1
314 1 47 GLU HA 1 48 ALA H . . 2.810 2.145 2.142 2.151 . 0 0 "[ . 1 . 2]" 1
315 1 47 GLU H 1 47 GLU HB2 . . 2.990 2.656 2.612 2.685 . 0 0 "[ . 1 . 2]" 1
316 1 47 GLU H 1 47 GLU QG . . 3.940 3.559 3.460 3.648 . 0 0 "[ . 1 . 2]" 1
317 1 18 GLU HG3 1 22 ASN HD21 . . 4.010 3.699 2.923 4.023 0.013 18 0 "[ . 1 . 2]" 1
318 1 22 ASN HB2 1 22 ASN HD22 . . 3.720 3.530 3.437 3.624 . 0 0 "[ . 1 . 2]" 1
319 1 22 ASN H 1 22 ASN HD22 . . 4.680 4.055 3.811 4.307 . 0 0 "[ . 1 . 2]" 1
320 1 4 ASN HA 1 4 ASN HD22 . . 5.070 4.534 4.196 5.013 . 0 0 "[ . 1 . 2]" 1
321 1 4 ASN HD22 1 47 GLU HA . . 5.500 5.456 5.234 5.521 0.021 18 0 "[ . 1 . 2]" 1
322 1 4 ASN HA 1 4 ASN HD21 . . 4.440 3.960 3.851 4.133 . 0 0 "[ . 1 . 2]" 1
323 1 38 ASN HA 1 38 ASN HD22 . . 4.840 3.510 3.314 3.822 . 0 0 "[ . 1 . 2]" 1
324 1 66 GLN HE22 1 66 GLN QG . . 3.590 3.247 3.216 3.411 . 0 0 "[ . 1 . 2]" 1
325 1 17 GLN HE21 1 17 GLN HG2 . . 3.430 2.698 2.574 3.462 0.032 1 0 "[ . 1 . 2]" 1
326 1 65 ASN HB3 1 65 ASN HD22 . . 3.830 3.984 3.671 4.097 0.267 10 0 "[ . 1 . 2]" 1
327 1 65 ASN HA 1 65 ASN HD22 . . 4.730 4.122 3.421 4.469 . 0 0 "[ . 1 . 2]" 1
328 1 63 PHE QD 1 64 ALA H . . 4.040 3.262 2.858 3.428 . 0 0 "[ . 1 . 2]" 1
329 1 63 PHE HB3 1 64 ALA H . . 4.350 4.005 3.935 4.074 . 0 0 "[ . 1 . 2]" 1
330 1 63 PHE HB2 1 64 ALA H . . 4.380 4.245 4.133 4.319 . 0 0 "[ . 1 . 2]" 1
331 1 37 LEU H 1 41 ALA HA . . 3.320 2.818 2.764 2.878 . 0 0 "[ . 1 . 2]" 1
332 1 36 ILE HB 1 37 LEU H . . 4.220 3.839 3.693 4.176 . 0 0 "[ . 1 . 2]" 1
333 1 37 LEU H 1 37 LEU QD . . 3.400 3.367 3.323 3.425 0.025 17 0 "[ . 1 . 2]" 1
334 1 37 LEU H 1 37 LEU HB2 . . 3.350 2.753 2.724 2.778 . 0 0 "[ . 1 . 2]" 1
335 1 8 PHE QD 1 71 VAL H . . 4.440 3.511 3.311 3.863 . 0 0 "[ . 1 . 2]" 1
336 1 35 LYS H 1 42 PHE QD . . 4.780 4.547 4.307 4.796 0.016 7 0 "[ . 1 . 2]" 1
337 1 35 LYS H 1 42 PHE HA . . 4.990 4.704 4.554 4.914 . 0 0 "[ . 1 . 2]" 1
338 1 35 LYS H 1 41 ALA HA . . 5.480 5.307 5.152 5.446 . 0 0 "[ . 1 . 2]" 1
339 1 35 LYS H 1 43 VAL HA . . 3.610 3.189 3.015 3.290 . 0 0 "[ . 1 . 2]" 1
340 1 35 LYS H 1 42 PHE HB2 . . 3.890 3.218 2.936 3.752 . 0 0 "[ . 1 . 2]" 1
341 1 34 VAL MG1 1 35 LYS H . . 3.640 3.622 3.453 3.703 0.063 12 0 "[ . 1 . 2]" 1
342 1 7 LEU H 1 44 GLU HA . . 3.600 3.367 3.234 3.453 . 0 0 "[ . 1 . 2]" 1
343 1 9 VAL H 1 41 ALA H . . 3.650 3.344 3.270 3.439 . 0 0 "[ . 1 . 2]" 1
344 1 7 LEU H 1 45 PHE H . . 4.510 4.534 4.485 4.587 0.077 12 0 "[ . 1 . 2]" 1
345 1 44 GLU H 1 45 PHE H . . 4.560 4.266 4.245 4.316 . 0 0 "[ . 1 . 2]" 1
346 1 45 PHE H 1 46 GLU H . . 4.750 4.601 4.584 4.611 . 0 0 "[ . 1 . 2]" 1
347 1 45 PHE H 1 45 PHE QD . . 3.490 3.165 2.955 3.285 . 0 0 "[ . 1 . 2]" 1
348 1 7 LEU H 1 42 PHE HA . . 4.760 4.453 4.317 4.541 . 0 0 "[ . 1 . 2]" 1
349 1 9 VAL H 1 42 PHE HA . . 3.990 2.912 2.779 3.010 . 0 0 "[ . 1 . 2]" 1
350 1 8 PHE QD 1 9 VAL H . . 3.810 3.223 2.837 3.545 . 0 0 "[ . 1 . 2]" 1
351 1 9 VAL H 1 42 PHE QD . . 4.720 4.262 3.860 4.627 . 0 0 "[ . 1 . 2]" 1
352 1 6 ARG HA 1 45 PHE H . . 3.760 3.793 3.762 3.828 0.068 14 0 "[ . 1 . 2]" 1
353 1 5 THR HB 1 45 PHE H . . 3.550 2.972 2.846 3.070 . 0 0 "[ . 1 . 2]" 1
354 1 5 THR HA 1 45 PHE H . . 4.090 3.751 3.672 3.831 . 0 0 "[ . 1 . 2]" 1
355 1 7 LEU H 1 7 LEU MD2 . . 3.960 3.009 2.928 3.082 . 0 0 "[ . 1 . 2]" 1
356 1 7 LEU H 1 7 LEU MD1 . . 4.020 3.957 3.848 4.059 0.039 4 0 "[ . 1 . 2]" 1
357 1 7 LEU H 1 7 LEU HB3 . . 4.020 3.797 3.771 3.821 . 0 0 "[ . 1 . 2]" 1
358 1 7 LEU H 1 43 VAL HB . . 5.000 4.256 3.470 5.103 0.103 14 0 "[ . 1 . 2]" 1
359 1 6 ARG QG 1 7 LEU H . . 3.560 3.178 3.070 3.295 . 0 0 "[ . 1 . 2]" 1
360 1 7 LEU H 1 7 LEU HB2 . . 3.450 2.989 2.860 3.082 . 0 0 "[ . 1 . 2]" 1
361 1 6 ARG QD 1 7 LEU H . . 5.200 5.057 4.661 5.198 . 0 0 "[ . 1 . 2]" 1
362 1 44 GLU HG2 1 45 PHE H . . 4.100 3.985 3.752 4.108 0.008 12 0 "[ . 1 . 2]" 1
363 1 44 GLU HG3 1 45 PHE H . . 3.810 3.220 3.029 3.351 . 0 0 "[ . 1 . 2]" 1
364 1 7 LEU HG 1 45 PHE H . . 4.440 3.746 3.585 3.945 . 0 0 "[ . 1 . 2]" 1
365 1 45 PHE H 1 51 ALA MB . . 4.110 2.899 2.721 3.030 . 0 0 "[ . 1 . 2]" 1
366 1 48 ALA H 1 48 ALA MB . . 2.510 2.098 2.027 2.234 . 0 0 "[ . 1 . 2]" 1
367 1 47 GLU HB3 1 48 ALA H . . 3.640 3.416 3.343 3.450 . 0 0 "[ . 1 . 2]" 1
368 1 5 THR MG 1 45 PHE H . . 4.220 3.752 3.655 3.847 . 0 0 "[ . 1 . 2]" 1
369 1 9 VAL H 1 41 ALA MB . . 4.020 3.076 2.970 3.271 . 0 0 "[ . 1 . 2]" 1
370 1 34 VAL HA 1 44 GLU H . . 3.560 2.955 2.798 3.076 . 0 0 "[ . 1 . 2]" 1
371 1 5 THR MG 1 48 ALA H . . 3.040 2.893 2.774 3.012 . 0 0 "[ . 1 . 2]" 1
372 1 36 ILE H 1 36 ILE MD . . 3.370 2.533 2.054 3.046 . 0 0 "[ . 1 . 2]" 1
373 1 36 ILE H 1 36 ILE HG12 . . 3.440 2.363 1.986 4.195 0.755 12 3 "[ . * +- . 2]" 1
374 1 43 VAL QG 1 44 GLU H . . 3.180 2.650 2.497 2.767 . 0 0 "[ . 1 . 2]" 1
375 1 8 PHE HA 1 9 VAL H . . 2.790 2.140 2.139 2.143 . 0 0 "[ . 1 . 2]" 1
376 1 33 GLU H 1 44 GLU H . . 3.440 3.418 3.343 3.479 0.039 19 0 "[ . 1 . 2]" 1
377 1 7 LEU H 1 44 GLU H . . 4.860 4.644 4.496 4.746 . 0 0 "[ . 1 . 2]" 1
378 1 62 SER HA 1 63 PHE H . . 2.570 2.232 2.196 2.277 . 0 0 "[ . 1 . 2]" 1
379 1 31 MET QB 1 44 GLU H . . 4.480 4.395 4.269 4.460 . 0 0 "[ . 1 . 2]" 1
380 1 43 VAL HB 1 44 GLU H . . 4.420 4.299 4.261 4.351 . 0 0 "[ . 1 . 2]" 1
381 1 34 VAL MG1 1 44 GLU H . . 3.790 3.273 3.080 3.586 . 0 0 "[ . 1 . 2]" 1
382 1 34 VAL MG2 1 44 GLU H . . 5.050 5.058 4.931 5.133 0.083 18 0 "[ . 1 . 2]" 1
383 1 63 PHE H 1 68 LEU MD1 . . 4.710 4.252 4.083 4.432 . 0 0 "[ . 1 . 2]" 1
384 1 63 PHE H 1 68 LEU HG . . 3.670 3.342 3.199 3.480 . 0 0 "[ . 1 . 2]" 1
385 1 63 PHE H 1 67 PRO HA . . 3.990 3.941 3.816 4.013 0.023 3 0 "[ . 1 . 2]" 1
386 1 63 PHE H 1 63 PHE QD . . 4.690 4.523 4.487 4.549 . 0 0 "[ . 1 . 2]" 1
387 1 10 ARG H 1 69 GLU H . . 3.470 3.218 3.151 3.365 . 0 0 "[ . 1 . 2]" 1
388 1 6 ARG H 1 72 TYR QD . . 4.680 3.557 3.415 3.784 . 0 0 "[ . 1 . 2]" 1
389 1 9 VAL HA 1 69 GLU H . . 4.560 4.559 4.499 4.632 0.072 4 0 "[ . 1 . 2]" 1
390 1 6 ARG H 1 72 TYR HA . . 5.060 4.884 4.778 5.049 . 0 0 "[ . 1 . 2]" 1
391 1 3 SER HB3 1 6 ARG H . . 4.410 4.389 4.259 4.443 0.033 4 0 "[ . 1 . 2]" 1
392 1 8 PHE H 1 9 VAL H . . 4.570 4.418 4.384 4.447 . 0 0 "[ . 1 . 2]" 1
393 1 8 PHE H 1 8 PHE QD . . 4.360 3.909 3.638 4.052 . 0 0 "[ . 1 . 2]" 1
394 1 8 PHE H 1 72 TYR HA . . 4.110 3.736 3.695 3.771 . 0 0 "[ . 1 . 2]" 1
395 1 8 PHE H 1 73 SER HA . . 4.410 3.612 3.397 3.820 . 0 0 "[ . 1 . 2]" 1
396 1 7 LEU HB2 1 8 PHE H . . 4.090 3.942 3.828 4.075 . 0 0 "[ . 1 . 2]" 1
397 1 7 LEU HB3 1 8 PHE H . . 3.750 3.495 3.456 3.554 . 0 0 "[ . 1 . 2]" 1
398 1 8 PHE H 1 55 ILE HG12 . . 5.030 4.500 4.376 4.651 . 0 0 "[ . 1 . 2]" 1
399 1 30 PRO HB2 1 31 MET H . . 4.260 4.105 3.999 4.202 . 0 0 "[ . 1 . 2]" 1
400 1 17 GLN H 1 17 GLN HG3 . . 3.330 3.347 3.200 3.592 0.262 1 0 "[ . 1 . 2]" 1
401 1 17 GLN H 1 20 GLU HG3 . . 3.500 3.124 2.873 3.266 . 0 0 "[ . 1 . 2]" 1
402 1 17 GLN H 1 17 GLN HG2 . . 3.430 2.345 2.027 2.472 . 0 0 "[ . 1 . 2]" 1
403 1 16 VAL MG1 1 17 GLN H . . 4.580 4.188 4.179 4.196 . 0 0 "[ . 1 . 2]" 1
404 1 17 GLN H 1 36 ILE MD . . 5.080 4.901 4.729 5.078 . 0 0 "[ . 1 . 2]" 1
405 1 32 LYS H 1 45 PHE HA . . 3.290 2.168 2.054 2.363 . 0 0 "[ . 1 . 2]" 1
406 1 32 LYS H 1 45 PHE QD . . 4.380 3.946 3.751 4.274 . 0 0 "[ . 1 . 2]" 1
407 1 31 MET QB 1 32 LYS H . . 3.820 3.445 3.203 3.492 . 0 0 "[ . 1 . 2]" 1
408 1 32 LYS H 1 46 GLU HB3 . . 4.290 4.227 3.404 4.909 0.619 3 1 "[ + . 1 . 2]" 1
409 1 31 MET HG3 1 32 LYS H . . 5.100 4.806 4.642 5.008 . 0 0 "[ . 1 . 2]" 1
410 1 32 LYS H 1 45 PHE HB3 . . 4.810 4.448 4.308 4.711 . 0 0 "[ . 1 . 2]" 1
411 1 5 THR H 1 6 ARG HA . . 5.500 5.225 5.147 5.280 . 0 0 "[ . 1 . 2]" 1
412 1 3 SER HA 1 5 THR H . . 4.760 4.640 4.419 4.775 0.015 8 0 "[ . 1 . 2]" 1
413 1 63 PHE HA 1 65 ASN H . . 3.790 3.655 3.564 3.715 . 0 0 "[ . 1 . 2]" 1
414 1 65 ASN H 1 65 ASN HA . . 2.400 2.274 2.273 2.275 . 0 0 "[ . 1 . 2]" 1
415 1 65 ASN H 1 65 ASN HB2 . . 3.440 3.355 3.316 3.479 0.039 20 0 "[ . 1 . 2]" 1
416 1 65 ASN H 1 66 GLN QB . . 5.120 4.881 4.794 5.056 . 0 0 "[ . 1 . 2]" 1
417 1 5 THR H 1 51 ALA MB . . 4.800 4.774 4.643 4.851 0.051 8 0 "[ . 1 . 2]" 1
418 1 5 THR H 1 6 ARG HB2 . . 4.260 3.614 3.504 3.697 . 0 0 "[ . 1 . 2]" 1
419 1 65 ASN H 1 65 ASN HD21 . . 5.280 3.510 2.372 4.523 . 0 0 "[ . 1 . 2]" 1
420 1 5 THR H 1 72 TYR QD . . 5.500 5.302 5.046 5.516 0.016 11 0 "[ . 1 . 2]" 1
421 1 64 ALA H 1 65 ASN H . . 3.040 2.701 2.661 2.796 . 0 0 "[ . 1 . 2]" 1
422 1 63 PHE H 1 65 ASN H . . 4.110 3.882 3.828 3.920 . 0 0 "[ . 1 . 2]" 1
423 1 29 GLY H 1 45 PHE QE . . 3.220 2.670 2.583 2.800 . 0 0 "[ . 1 . 2]" 1
424 1 29 GLY H 1 45 PHE QD . . 4.320 4.394 4.326 4.440 0.120 20 0 "[ . 1 . 2]" 1
425 1 26 GLY HA2 1 29 GLY H . . 4.230 4.275 4.233 4.365 0.135 13 0 "[ . 1 . 2]" 1
426 1 27 PRO HA 1 29 GLY H . . 4.840 4.418 4.386 4.447 . 0 0 "[ . 1 . 2]" 1
427 1 28 PHE HB3 1 29 GLY H . . 3.890 3.417 3.375 3.445 . 0 0 "[ . 1 . 2]" 1
428 1 28 PHE HB2 1 29 GLY H . . 3.640 2.722 2.698 2.746 . 0 0 "[ . 1 . 2]" 1
429 1 22 ASN HA 1 26 GLY H . . 3.840 3.629 3.522 3.781 . 0 0 "[ . 1 . 2]" 1
430 1 23 GLU HA 1 26 GLY H . . 4.140 3.928 3.748 4.005 . 0 0 "[ . 1 . 2]" 1
431 1 25 PHE HB2 1 26 GLY H . . 3.830 3.557 3.508 3.593 . 0 0 "[ . 1 . 2]" 1
432 1 24 ILE HB 1 26 GLY H . . 4.760 4.430 4.393 4.570 . 0 0 "[ . 1 . 2]" 1
433 1 24 ILE MG 1 26 GLY H . . 4.650 4.428 4.315 4.592 . 0 0 "[ . 1 . 2]" 1
434 1 4 ASN HD21 1 48 ALA MB . . 3.570 2.600 2.428 2.852 . 0 0 "[ . 1 . 2]" 1
435 1 38 ASN H 1 39 GLY H . . 4.280 4.185 4.133 4.221 . 0 0 "[ . 1 . 2]" 1
436 1 12 PHE H 1 12 PHE QD . . 3.640 2.286 2.132 2.394 . 0 0 "[ . 1 . 2]" 1
437 1 12 PHE H 1 40 PHE HA . . 4.730 4.809 4.783 4.852 0.122 18 0 "[ . 1 . 2]" 1
438 1 11 PRO HA 1 12 PHE H . . 2.900 2.151 2.150 2.152 . 0 0 "[ . 1 . 2]" 1
439 1 25 PHE H 1 25 PHE QD . . 3.200 1.987 1.931 2.098 . 0 0 "[ . 1 . 2]" 1
440 1 15 ASP HA 1 17 GLN HE21 . . 4.850 3.569 3.220 4.976 0.126 1 0 "[ . 1 . 2]" 1
441 1 17 GLN HA 1 17 GLN HE21 . . 5.220 4.370 4.289 5.372 0.152 1 0 "[ . 1 . 2]" 1
442 1 45 PHE HB3 1 47 GLU H . . 3.150 2.114 2.097 2.161 . 0 0 "[ . 1 . 2]" 1
443 1 45 PHE HB2 1 47 GLU H . . 3.680 3.460 3.368 3.523 . 0 0 "[ . 1 . 2]" 1
444 1 57 GLU H 1 58 VAL MG2 . . 4.210 4.035 3.948 4.106 . 0 0 "[ . 1 . 2]" 1
445 1 54 ALA HA 1 57 GLU H . . 3.460 3.185 3.109 3.237 . 0 0 "[ . 1 . 2]" 1
446 1 45 PHE HB3 1 50 SER H . . 4.540 4.463 4.330 4.551 0.011 19 0 "[ . 1 . 2]" 1
447 1 33 GLU H 1 45 PHE HA . . 4.200 3.889 3.807 4.022 . 0 0 "[ . 1 . 2]" 1
448 1 33 GLU H 1 44 GLU HG2 . . 3.930 3.733 3.404 3.860 . 0 0 "[ . 1 . 2]" 1
449 1 31 MET QB 1 33 GLU H . . 3.560 3.184 3.086 3.523 . 0 0 "[ . 1 . 2]" 1
450 1 33 GLU H 1 34 VAL MG1 . . 3.950 3.803 3.666 3.953 0.003 2 0 "[ . 1 . 2]" 1
451 1 14 LEU HB2 1 15 ASP H . . 4.170 3.991 3.924 4.071 . 0 0 "[ . 1 . 2]" 1
452 1 13 PRO HB2 1 15 ASP H . . 3.120 2.707 2.679 2.740 . 0 0 "[ . 1 . 2]" 1
453 1 14 LEU HA 1 15 ASP H . . 3.450 3.426 3.416 3.436 . 0 0 "[ . 1 . 2]" 1
454 1 14 LEU MD1 1 15 ASP H . . 3.800 3.082 2.530 3.950 0.150 16 0 "[ . 1 . 2]" 1
455 1 14 LEU MD2 1 15 ASP H . . 4.620 4.072 3.451 4.319 . 0 0 "[ . 1 . 2]" 1
456 1 15 ASP H 1 16 VAL MG1 . . 4.280 4.125 4.113 4.143 . 0 0 "[ . 1 . 2]" 1
457 1 2 LEU MD1 1 3 SER H . . 3.380 2.867 2.726 3.017 . 0 0 "[ . 1 . 2]" 1
458 1 2 LEU HB2 1 3 SER H . . 3.210 2.206 2.036 2.293 . 0 0 "[ . 1 . 2]" 1
459 1 3 SER H 1 72 TYR HB3 . . 4.400 2.732 2.581 2.797 . 0 0 "[ . 1 . 2]" 1
460 1 2 LEU HA 1 3 SER H . . 2.840 2.500 2.457 2.588 . 0 0 "[ . 1 . 2]" 1
461 1 32 LYS H 1 33 GLU H . . 2.810 2.645 2.368 2.777 . 0 0 "[ . 1 . 2]" 1
462 1 41 ALA H 1 42 PHE H . . 4.550 4.465 4.438 4.483 . 0 0 "[ . 1 . 2]" 1
463 1 42 PHE H 1 43 VAL H . . 4.470 4.366 4.332 4.414 . 0 0 "[ . 1 . 2]" 1
464 1 37 LEU H 1 42 PHE H . . 4.770 4.540 4.413 4.592 . 0 0 "[ . 1 . 2]" 1
465 1 72 TYR QD 1 73 SER H . . 3.790 3.424 3.279 3.545 . 0 0 "[ . 1 . 2]" 1
466 1 7 LEU HA 1 73 SER H . . 3.410 2.214 2.033 2.362 . 0 0 "[ . 1 . 2]" 1
467 1 41 ALA MB 1 42 PHE H . . 2.790 2.702 2.606 2.780 . 0 0 "[ . 1 . 2]" 1
468 1 37 LEU HA 1 40 PHE H . . 4.970 4.896 4.876 4.925 . 0 0 "[ . 1 . 2]" 1
469 1 37 LEU HB3 1 40 PHE H . . 4.710 4.469 4.338 4.560 . 0 0 "[ . 1 . 2]" 1
470 1 37 LEU HB2 1 40 PHE H . . 3.980 3.272 3.210 3.341 . 0 0 "[ . 1 . 2]" 1
471 1 8 PHE HB3 1 71 VAL H . . 4.380 3.561 3.369 3.758 . 0 0 "[ . 1 . 2]" 1
472 1 8 PHE HB2 1 71 VAL H . . 5.300 5.041 4.903 5.158 . 0 0 "[ . 1 . 2]" 1
473 1 9 VAL HA 1 71 VAL H . . 3.800 3.855 3.754 3.907 0.107 3 0 "[ . 1 . 2]" 1
474 1 60 GLY H 1 69 GLU HA . . 3.990 2.932 2.711 3.404 . 0 0 "[ . 1 . 2]" 1
475 1 60 GLY H 1 69 GLU QG . . 4.700 4.423 3.931 4.666 . 0 0 "[ . 1 . 2]" 1
476 1 60 GLY H 1 68 LEU HB2 . . 4.230 4.013 3.797 4.126 . 0 0 "[ . 1 . 2]" 1
477 1 61 LYS QD 1 62 SER H . . 3.550 2.975 2.561 3.263 . 0 0 "[ . 1 . 2]" 1
478 1 35 LYS QB 1 42 PHE H . . 4.590 3.087 2.903 3.250 . 0 0 "[ . 1 . 2]" 1
479 1 7 LEU MD2 1 73 SER H . . 3.950 3.569 3.432 3.690 . 0 0 "[ . 1 . 2]" 1
480 1 36 ILE HA 1 42 PHE H . . 3.730 3.452 3.340 3.562 . 0 0 "[ . 1 . 2]" 1
481 1 68 LEU MD2 1 69 GLU H . . 3.320 2.856 2.733 3.037 . 0 0 "[ . 1 . 2]" 1
482 1 68 LEU HB3 1 69 GLU H . . 3.440 2.505 2.376 2.748 . 0 0 "[ . 1 . 2]" 1
483 1 74 LYS H 1 74 LYS HB3 . . 3.570 3.114 2.376 3.624 0.054 5 0 "[ . 1 . 2]" 1
484 1 62 SER HA 1 68 LEU H . . 3.390 2.878 2.688 3.046 . 0 0 "[ . 1 . 2]" 1
485 1 68 LEU H 1 68 LEU MD2 . . 3.750 3.728 3.629 3.780 0.030 16 0 "[ . 1 . 2]" 1
486 1 10 ARG H 1 69 GLU QB . . 3.870 3.855 3.607 3.930 0.060 17 0 "[ . 1 . 2]" 1
487 1 10 ARG H 1 10 ARG QB . . 3.700 2.129 2.088 2.206 . 0 0 "[ . 1 . 2]" 1
488 1 74 LYS H 1 74 LYS HB2 . . 3.140 3.030 2.311 3.645 0.505 13 1 "[ . 1 + . 2]" 1
489 1 74 LYS H 1 74 LYS HG2 . . 3.300 2.704 1.949 3.852 0.552 8 2 "[ - + 1 . 2]" 1
490 1 9 VAL MG1 1 10 ARG H . . 3.050 1.950 1.914 1.969 . 0 0 "[ . 1 . 2]" 1
491 1 9 VAL MG2 1 10 ARG H . . 4.180 3.973 3.963 3.982 . 0 0 "[ . 1 . 2]" 1
492 1 14 LEU H 1 14 LEU HG . . 2.740 2.270 1.990 2.697 . 0 0 "[ . 1 . 2]" 1
493 1 14 LEU H 1 14 LEU HB3 . . 2.900 2.573 2.475 2.636 . 0 0 "[ . 1 . 2]" 1
494 1 14 LEU H 1 14 LEU HB2 . . 3.730 3.584 3.581 3.585 . 0 0 "[ . 1 . 2]" 1
495 1 14 LEU H 1 14 LEU MD1 . . 3.750 3.712 3.463 3.924 0.174 18 0 "[ . 1 . 2]" 1
496 1 1 GLU H1 1 2 LEU MD1 . . 4.620 4.605 4.456 4.654 0.034 6 0 "[ . 1 . 2]" 1
497 1 1 GLU H1 1 2 LEU HG . . 3.990 3.456 3.367 3.532 . 0 0 "[ . 1 . 2]" 1
498 1 14 LEU H 1 14 LEU MD2 . . 3.970 2.798 2.029 3.131 . 0 0 "[ . 1 . 2]" 1
499 1 41 ALA H 1 41 ALA MB . . 3.050 2.439 2.401 2.485 . 0 0 "[ . 1 . 2]" 1
500 1 8 PHE HA 1 43 VAL H . . 3.830 3.770 3.718 3.843 0.013 9 0 "[ . 1 . 2]" 1
501 1 7 LEU HB2 1 43 VAL H . . 3.600 3.481 3.222 3.657 0.057 13 0 "[ . 1 . 2]" 1
502 1 10 ARG HA 1 41 ALA H . . 4.700 4.140 4.042 4.232 . 0 0 "[ . 1 . 2]" 1
503 1 9 VAL HB 1 41 ALA H . . 4.210 3.536 3.438 3.624 . 0 0 "[ . 1 . 2]" 1
504 1 55 ILE MD 1 72 TYR H . . 3.810 3.671 3.352 3.828 0.018 15 0 "[ . 1 . 2]" 1
505 1 55 ILE HG12 1 72 TYR H . . 4.330 4.101 3.936 4.368 0.038 15 0 "[ . 1 . 2]" 1
506 1 55 ILE MG 1 72 TYR H . . 3.820 2.972 2.863 3.271 . 0 0 "[ . 1 . 2]" 1
507 1 21 LEU QD 1 22 ASN H . . 4.420 3.991 3.815 4.032 . 0 0 "[ . 1 . 2]" 1
508 1 22 ASN H 1 23 GLU QB . . 4.900 4.468 4.299 4.667 . 0 0 "[ . 1 . 2]" 1
509 1 18 GLU HA 1 22 ASN H . . 3.880 3.871 3.633 3.941 0.061 11 0 "[ . 1 . 2]" 1
510 1 5 THR MG 1 49 GLU H . . 4.820 4.653 4.484 4.809 . 0 0 "[ . 1 . 2]" 1
511 1 47 GLU HA 1 49 GLU H . . 4.070 3.985 3.823 4.069 . 0 0 "[ . 1 . 2]" 1
512 1 57 GLU HB3 1 58 VAL H . . 3.610 3.154 3.066 3.274 . 0 0 "[ . 1 . 2]" 1
513 1 45 PHE HA 1 46 GLU H . . 3.010 2.269 2.239 2.295 . 0 0 "[ . 1 . 2]" 1
514 1 31 MET HA 1 46 GLU H . . 3.400 2.816 2.706 2.895 . 0 0 "[ . 1 . 2]" 1
515 1 45 PHE HB3 1 46 GLU H . . 3.540 2.877 2.795 2.973 . 0 0 "[ . 1 . 2]" 1
516 1 3 SER H 1 6 ARG HB2 . . 5.500 5.395 5.212 5.521 0.021 10 0 "[ . 1 . 2]" 1
517 1 5 THR MG 1 47 GLU H . . 4.090 3.139 3.021 3.292 . 0 0 "[ . 1 . 2]" 1
518 1 17 GLN HG3 1 19 SER H . . 3.460 2.163 1.975 2.844 . 0 0 "[ . 1 . 2]" 1
519 1 17 GLN HB2 1 19 SER H . . 2.820 2.622 2.385 2.723 . 0 0 "[ . 1 . 2]" 1
520 1 22 ASN HA 1 25 PHE H . . 3.880 3.726 3.508 3.859 . 0 0 "[ . 1 . 2]" 1
521 1 21 LEU HA 1 25 PHE H . . 4.050 3.428 3.270 3.633 . 0 0 "[ . 1 . 2]" 1
522 1 24 ILE MG 1 25 PHE H . . 3.540 2.998 2.760 3.263 . 0 0 "[ . 1 . 2]" 1
523 1 18 GLU HG3 1 19 SER H . . 3.710 2.607 2.376 2.835 . 0 0 "[ . 1 . 2]" 1
524 1 19 SER H 1 20 GLU HG2 . . 4.370 4.225 4.082 4.340 . 0 0 "[ . 1 . 2]" 1
525 1 19 SER H 1 22 ASN HB2 . . 5.350 5.046 4.736 5.234 . 0 0 "[ . 1 . 2]" 1
526 1 18 GLU HA 1 19 SER H . . 3.480 3.436 3.419 3.454 . 0 0 "[ . 1 . 2]" 1
527 1 18 GLU HG3 1 22 ASN HD22 . . 4.730 4.306 4.004 4.696 . 0 0 "[ . 1 . 2]" 1
528 1 18 GLU HB3 1 22 ASN HD22 . . 4.630 4.404 3.887 4.626 . 0 0 "[ . 1 . 2]" 1
529 1 22 ASN HD22 1 34 VAL MG1 . . 4.710 3.262 2.727 3.558 . 0 0 "[ . 1 . 2]" 1
530 1 22 ASN HD21 1 34 VAL MG1 . . 4.710 3.766 3.254 4.446 . 0 0 "[ . 1 . 2]" 1
531 1 22 ASN HA 1 22 ASN HD22 . . 4.610 3.921 3.624 4.273 . 0 0 "[ . 1 . 2]" 1
532 1 22 ASN HA 1 22 ASN HD21 . . 4.780 3.333 2.783 3.985 . 0 0 "[ . 1 . 2]" 1
533 1 4 ASN HD22 1 5 THR MG . . 5.000 3.092 2.272 3.561 . 0 0 "[ . 1 . 2]" 1
534 1 4 ASN HD21 1 5 THR MG . . 5.210 2.358 2.267 2.526 . 0 0 "[ . 1 . 2]" 1
535 1 38 ASN HB3 1 38 ASN HD21 . . 3.590 3.030 2.367 3.552 . 0 0 "[ . 1 . 2]" 1
536 1 25 PHE HA 1 28 PHE H . . 5.080 5.273 5.251 5.292 0.212 17 0 "[ . 1 . 2]" 1
537 1 28 PHE H 1 29 GLY HA2 . . 4.260 4.011 3.988 4.039 . 0 0 "[ . 1 . 2]" 1
538 1 27 PRO HD3 1 28 PHE H . . 4.920 4.863 4.852 4.880 . 0 0 "[ . 1 . 2]" 1
539 1 16 VAL HB 1 38 ASN HD21 . . 4.840 4.441 3.966 4.758 . 0 0 "[ . 1 . 2]" 1
540 1 27 PRO QG 1 28 PHE H . . 4.360 4.457 4.446 4.471 0.111 13 0 "[ . 1 . 2]" 1
541 1 12 PHE H 1 12 PHE HB2 . . 3.620 2.442 2.428 2.476 . 0 0 "[ . 1 . 2]" 1
542 1 11 PRO HB3 1 12 PHE H . . 4.220 4.086 4.072 4.102 . 0 0 "[ . 1 . 2]" 1
543 1 12 PHE H 1 12 PHE HB3 . . 3.910 3.639 3.633 3.648 . 0 0 "[ . 1 . 2]" 1
544 1 12 PHE H 1 16 VAL HB . . 5.000 3.354 3.283 3.415 . 0 0 "[ . 1 . 2]" 1
545 1 11 PRO HB2 1 12 PHE H . . 3.700 3.658 3.637 3.679 . 0 0 "[ . 1 . 2]" 1
546 1 17 GLN HE21 1 17 GLN HG3 . . 3.620 3.482 2.233 3.553 . 0 0 "[ . 1 . 2]" 1
547 1 17 GLN HE22 1 17 GLN HG2 . . 3.860 3.679 3.623 4.051 0.191 1 0 "[ . 1 . 2]" 1
548 1 17 GLN HB2 1 17 GLN HE21 . . 4.360 3.248 3.045 3.449 . 0 0 "[ . 1 . 2]" 1
549 1 17 GLN HB2 1 17 GLN HE22 . . 5.100 4.147 3.971 4.455 . 0 0 "[ . 1 . 2]" 1
550 1 56 GLU H 1 57 GLU HB2 . . 4.550 4.505 4.445 4.578 0.028 3 0 "[ . 1 . 2]" 1
551 1 55 ILE HB 1 56 GLU H . . 3.030 2.696 2.615 2.826 . 0 0 "[ . 1 . 2]" 1
552 1 55 ILE MG 1 56 GLU H . . 3.380 3.380 3.334 3.413 0.033 1 0 "[ . 1 . 2]" 1
553 1 55 ILE HG12 1 56 GLU H . . 5.380 5.148 5.112 5.179 . 0 0 "[ . 1 . 2]" 1
554 1 55 ILE H 1 55 ILE HG12 . . 3.890 3.730 3.690 3.757 . 0 0 "[ . 1 . 2]" 1
555 1 7 LEU MD1 1 55 ILE H . . 3.120 3.057 2.770 3.143 0.023 2 0 "[ . 1 . 2]" 1
556 1 52 ALA HA 1 55 ILE H . . 3.970 3.825 3.772 3.869 . 0 0 "[ . 1 . 2]" 1
557 1 53 LYS HA 1 56 GLU H . . 3.780 3.409 3.370 3.462 . 0 0 "[ . 1 . 2]" 1
558 1 55 ILE HG13 1 56 GLU H . . 4.700 4.387 4.333 4.459 . 0 0 "[ . 1 . 2]" 1
559 1 54 ALA MB 1 56 GLU H . . 4.710 4.603 4.500 4.661 . 0 0 "[ . 1 . 2]" 1
560 1 45 PHE HB2 1 46 GLU H . . 4.460 4.122 4.066 4.182 . 0 0 "[ . 1 . 2]" 1
561 1 37 LEU QD 1 38 ASN H . . 4.040 3.682 3.624 3.771 . 0 0 "[ . 1 . 2]" 1
562 1 62 SER HA 1 66 GLN H . . 4.530 4.336 4.205 4.534 0.004 2 0 "[ . 1 . 2]" 1
563 1 65 ASN HB3 1 66 GLN H . . 4.360 4.356 4.304 4.428 0.068 20 0 "[ . 1 . 2]" 1
564 1 64 ALA MB 1 66 GLN H . . 4.060 3.677 3.513 3.840 . 0 0 "[ . 1 . 2]" 1
565 1 59 HIS H 1 70 VAL MG2 . . 3.540 3.252 3.011 3.492 . 0 0 "[ . 1 . 2]" 1
566 1 58 VAL HB 1 59 HIS H . . 4.440 2.709 2.435 2.852 . 0 0 "[ . 1 . 2]" 1
567 1 18 GLU HA 1 21 LEU H . . 3.400 3.179 3.115 3.254 . 0 0 "[ . 1 . 2]" 1
568 1 21 LEU H 1 22 ASN HB2 . . 5.070 4.631 4.473 4.715 . 0 0 "[ . 1 . 2]" 1
569 1 20 GLU HG2 1 21 LEU H . . 3.940 3.218 2.955 3.356 . 0 0 "[ . 1 . 2]" 1
570 1 20 GLU HB2 1 21 LEU H . . 3.780 3.582 3.518 3.643 . 0 0 "[ . 1 . 2]" 1
571 1 21 LEU H 1 21 LEU HB2 . . 2.900 2.497 2.369 2.569 . 0 0 "[ . 1 . 2]" 1
572 1 21 LEU H 1 21 LEU HB3 . . 3.750 3.583 3.567 3.588 . 0 0 "[ . 1 . 2]" 1
573 1 21 LEU H 1 21 LEU HG . . 3.460 2.564 2.384 2.968 . 0 0 "[ . 1 . 2]" 1
574 1 21 LEU H 1 36 ILE MG . . 4.280 4.257 4.102 4.545 0.265 19 0 "[ . 1 . 2]" 1
575 1 21 LEU H 1 21 LEU QD . . 3.540 2.361 2.330 2.402 . 0 0 "[ . 1 . 2]" 1
576 1 15 ASP HA 1 16 VAL H . . 3.180 3.005 2.989 3.020 . 0 0 "[ . 1 . 2]" 1
577 1 7 LEU MD1 1 54 ALA H . . 3.950 3.695 3.561 3.784 . 0 0 "[ . 1 . 2]" 1
578 1 53 LYS QB 1 54 ALA H . . 2.870 2.401 2.329 2.443 . 0 0 "[ . 1 . 2]" 1
579 1 15 ASP HB2 1 16 VAL H . . 4.000 4.127 3.975 4.460 0.460 3 0 "[ . 1 . 2]" 1
580 1 13 PRO HG2 1 16 VAL H . . 4.480 4.419 4.369 4.455 . 0 0 "[ . 1 . 2]" 1
581 1 13 PRO QD 1 16 VAL H . . 4.600 4.606 4.558 4.626 0.026 18 0 "[ . 1 . 2]" 1
582 1 45 PHE HB2 1 51 ALA H . . 3.830 3.210 2.969 3.337 . 0 0 "[ . 1 . 2]" 1
583 1 48 ALA HA 1 51 ALA H . . 3.750 3.525 3.458 3.564 . 0 0 "[ . 1 . 2]" 1
584 1 45 PHE HB3 1 51 ALA H . . 3.880 3.379 3.306 3.579 . 0 0 "[ . 1 . 2]" 1
585 1 18 GLU HA 1 20 GLU H . . 4.770 4.356 4.268 4.449 . 0 0 "[ . 1 . 2]" 1
586 1 10 ARG H 1 70 VAL HA . . 4.080 4.147 4.098 4.203 0.123 14 0 "[ . 1 . 2]" 1
587 1 33 GLU H 1 34 VAL H . . 4.460 4.356 4.331 4.399 . 0 0 "[ . 1 . 2]" 1
588 1 34 VAL H 1 35 LYS H . . 4.450 4.235 4.088 4.357 . 0 0 "[ . 1 . 2]" 1
589 1 68 LEU H 1 69 GLU H . . 4.790 4.605 4.582 4.623 . 0 0 "[ . 1 . 2]" 1
590 1 63 PHE H 1 68 LEU H . . 4.360 4.085 3.962 4.258 . 0 0 "[ . 1 . 2]" 1
591 1 60 GLY H 1 68 LEU H . . 4.830 4.422 4.149 4.588 . 0 0 "[ . 1 . 2]" 1
592 1 47 GLU H 1 51 ALA H . . 4.540 4.333 4.227 4.445 . 0 0 "[ . 1 . 2]" 1
593 1 48 ALA H 1 51 ALA H . . 5.050 4.911 4.881 4.959 . 0 0 "[ . 1 . 2]" 1
594 1 1 GLU H1 1 2 LEU H . . 2.950 2.354 2.137 2.516 . 0 0 "[ . 1 . 2]" 1
595 1 42 PHE QD 1 43 VAL H . . 4.490 4.117 3.955 4.321 . 0 0 "[ . 1 . 2]" 1
596 1 7 LEU H 1 43 VAL H . . 3.440 2.635 2.518 2.738 . 0 0 "[ . 1 . 2]" 1
597 1 18 GLU H 1 21 LEU H . . 5.080 5.014 4.960 5.056 . 0 0 "[ . 1 . 2]" 1
598 1 58 VAL H 1 59 HIS H . . 2.800 2.769 2.644 2.848 0.048 7 0 "[ . 1 . 2]" 1
599 1 65 ASN H 1 66 GLN H . . 2.770 2.674 2.646 2.693 . 0 0 "[ . 1 . 2]" 1
600 1 63 PHE H 1 66 GLN H . . 2.860 2.609 2.544 2.681 . 0 0 "[ . 1 . 2]" 1
601 1 45 PHE QD 1 46 GLU H . . 3.460 2.899 2.841 3.124 . 0 0 "[ . 1 . 2]" 1
602 1 32 LYS H 1 46 GLU H . . 3.860 2.353 2.235 2.574 . 0 0 "[ . 1 . 2]" 1
603 1 50 SER H 1 52 ALA H . . 4.430 4.477 4.462 4.499 0.069 8 0 "[ . 1 . 2]" 1
604 1 37 LEU H 1 38 ASN H . . 4.500 4.451 4.438 4.460 . 0 0 "[ . 1 . 2]" 1
605 1 55 ILE H 1 56 GLU H . . 2.990 2.639 2.609 2.668 . 0 0 "[ . 1 . 2]" 1
606 1 56 GLU H 1 58 VAL H . . 4.610 4.552 4.390 4.635 0.025 3 0 "[ . 1 . 2]" 1
607 1 62 SER H 1 68 LEU H . . 4.430 4.383 4.304 4.446 0.016 19 0 "[ . 1 . 2]" 1
608 1 62 SER H 1 63 PHE H . . 4.550 4.444 4.407 4.464 . 0 0 "[ . 1 . 2]" 1
609 1 37 LEU H 1 40 PHE H . . 3.940 3.746 3.708 3.851 . 0 0 "[ . 1 . 2]" 1
610 1 40 PHE H 1 41 ALA H . . 4.330 4.282 4.240 4.303 . 0 0 "[ . 1 . 2]" 1
611 1 40 PHE H 1 40 PHE QD . . 3.320 2.879 2.791 3.237 . 0 0 "[ . 1 . 2]" 1
612 1 39 GLY H 1 40 PHE H . . 2.890 2.169 2.096 2.219 . 0 0 "[ . 1 . 2]" 1
613 1 33 GLU H 1 44 GLU HA . . 4.810 4.804 4.716 4.846 0.036 20 0 "[ . 1 . 2]" 1
614 1 57 GLU H 1 58 VAL H . . 2.850 2.626 2.510 2.737 . 0 0 "[ . 1 . 2]" 1
615 1 56 GLU H 1 57 GLU H . . 2.880 2.293 2.223 2.337 . 0 0 "[ . 1 . 2]" 1
616 1 50 SER H 1 51 ALA H . . 2.800 2.758 2.703 2.807 0.007 18 0 "[ . 1 . 2]" 1
617 1 46 GLU H 1 47 GLU H . . 3.110 2.568 2.547 2.608 . 0 0 "[ . 1 . 2]" 1
618 1 47 GLU H 1 48 ALA H . . 4.180 4.198 4.175 4.259 0.079 9 0 "[ . 1 . 2]" 1
619 1 49 GLU H 1 50 SER H . . 2.960 2.837 2.783 2.870 . 0 0 "[ . 1 . 2]" 1
620 1 47 GLU H 1 50 SER H . . 4.910 4.485 4.417 4.528 . 0 0 "[ . 1 . 2]" 1
621 1 48 ALA H 1 50 SER H . . 4.660 4.543 4.490 4.624 . 0 0 "[ . 1 . 2]" 1
622 1 28 PHE H 1 45 PHE QE . . 4.100 4.153 4.064 4.216 0.116 1 0 "[ . 1 . 2]" 1
623 1 11 PRO QD 1 12 PHE H . . 5.140 4.938 4.931 4.944 . 0 0 "[ . 1 . 2]" 1
624 1 10 ARG H 1 11 PRO QD . . 4.770 4.324 4.317 4.338 . 0 0 "[ . 1 . 2]" 1
625 1 11 PRO QG 1 12 PHE H . . 4.720 4.700 4.694 4.707 . 0 0 "[ . 1 . 2]" 1
626 1 13 PRO QD 1 14 LEU H . . 5.210 4.687 4.672 4.699 . 0 0 "[ . 1 . 2]" 1
627 1 12 PHE H 1 13 PRO QD . . 4.430 4.373 4.371 4.375 . 0 0 "[ . 1 . 2]" 1
628 1 13 PRO HG2 1 14 LEU H . . 4.610 3.719 3.688 3.746 . 0 0 "[ . 1 . 2]" 1
629 1 17 GLN HA 1 18 GLU H . . 2.560 2.449 2.325 2.557 . 0 0 "[ . 1 . 2]" 1
630 1 17 GLN H 1 20 GLU HG2 . . 3.580 2.286 2.040 2.408 . 0 0 "[ . 1 . 2]" 1
631 1 35 LYS H 1 36 ILE HA . . 5.040 4.942 4.791 5.041 0.001 6 0 "[ . 1 . 2]" 1
632 1 33 GLU HB3 1 35 LYS H . . 5.500 5.351 5.043 5.556 0.056 15 0 "[ . 1 . 2]" 1
633 1 7 LEU H 1 42 PHE HB3 . . 5.200 4.507 4.413 4.630 . 0 0 "[ . 1 . 2]" 1
634 1 7 LEU H 1 44 GLU HG3 . . 5.500 5.527 5.460 5.591 0.091 10 0 "[ . 1 . 2]" 1
635 1 6 ARG HB2 1 7 LEU H . . 4.570 4.525 4.502 4.554 . 0 0 "[ . 1 . 2]" 1
636 1 7 LEU H 1 43 VAL QG . . 4.510 3.351 2.477 4.010 . 0 0 "[ . 1 . 2]" 1
637 1 9 VAL H 1 43 VAL QG . . 4.930 4.360 4.211 4.503 . 0 0 "[ . 1 . 2]" 1
638 1 43 VAL QG 1 45 PHE H . . 4.870 3.767 3.612 3.952 . 0 0 "[ . 1 . 2]" 1
639 1 7 LEU MD1 1 45 PHE H . . 5.020 4.304 4.243 4.448 . 0 0 "[ . 1 . 2]" 1
640 1 31 MET QB 1 45 PHE H . . 5.500 5.362 5.177 5.444 . 0 0 "[ . 1 . 2]" 1
641 1 45 PHE H 1 50 SER QB . . 5.500 5.343 5.181 5.400 . 0 0 "[ . 1 . 2]" 1
642 1 45 PHE H 1 51 ALA HA . . 4.640 4.573 4.379 4.664 0.024 6 0 "[ . 1 . 2]" 1
643 1 4 ASN QB 1 48 ALA H . . 5.500 5.308 5.101 5.399 . 0 0 "[ . 1 . 2]" 1
644 1 48 ALA H 1 51 ALA MB . . 4.660 4.668 4.631 4.697 0.037 17 0 "[ . 1 . 2]" 1
645 1 48 ALA H 1 49 GLU HB3 . . 5.500 5.211 4.927 5.369 . 0 0 "[ . 1 . 2]" 1
646 1 36 ILE H 1 41 ALA HA . . 5.390 5.048 4.936 5.207 . 0 0 "[ . 1 . 2]" 1
647 1 6 ARG HA 1 44 GLU H . . 4.790 4.561 4.466 4.655 . 0 0 "[ . 1 . 2]" 1
648 1 21 LEU QD 1 36 ILE H . . 4.790 4.463 4.211 4.666 . 0 0 "[ . 1 . 2]" 1
649 1 42 PHE HB2 1 44 GLU H . . 5.500 5.494 5.347 5.574 0.074 14 0 "[ . 1 . 2]" 1
650 1 63 PHE H 1 64 ALA HA . . 5.500 5.579 5.542 5.629 0.129 16 0 "[ . 1 . 2]" 1
651 1 63 PHE H 1 65 ASN HA . . 4.800 4.686 4.630 4.730 . 0 0 "[ . 1 . 2]" 1
652 1 63 PHE H 1 64 ALA MB . . 4.770 4.555 4.471 4.651 . 0 0 "[ . 1 . 2]" 1
653 1 63 PHE H 1 66 GLN QG . . 5.500 5.072 3.454 5.381 . 0 0 "[ . 1 . 2]" 1
654 1 63 PHE H 1 66 GLN HA . . 4.850 4.657 4.606 4.726 . 0 0 "[ . 1 . 2]" 1
655 1 6 ARG H 1 44 GLU HG3 . . 5.210 4.682 4.568 4.783 . 0 0 "[ . 1 . 2]" 1
656 1 6 ARG H 1 6 ARG HB3 . . 4.120 3.547 3.502 3.602 . 0 0 "[ . 1 . 2]" 1
657 1 5 THR MG 1 6 ARG H . . 4.610 4.158 4.129 4.180 . 0 0 "[ . 1 . 2]" 1
658 1 68 LEU MD1 1 69 GLU H . . 4.560 4.256 4.161 4.453 . 0 0 "[ . 1 . 2]" 1
659 1 69 GLU H 1 70 VAL MG2 . . 4.170 3.312 3.223 3.452 . 0 0 "[ . 1 . 2]" 1
660 1 9 VAL MG1 1 69 GLU H . . 4.130 3.135 3.059 3.214 . 0 0 "[ . 1 . 2]" 1
661 1 69 GLU H 1 70 VAL MG1 . . 5.500 5.558 5.523 5.594 0.094 4 0 "[ . 1 . 2]" 1
662 1 68 LEU HG 1 69 GLU H . . 5.050 4.710 4.623 4.855 . 0 0 "[ . 1 . 2]" 1
663 1 7 LEU HG 1 8 PHE H . . 5.500 5.364 5.315 5.419 . 0 0 "[ . 1 . 2]" 1
664 1 8 PHE H 1 71 VAL HB . . 5.380 4.969 3.868 5.306 . 0 0 "[ . 1 . 2]" 1
665 1 8 PHE H 1 70 VAL HA . . 4.890 4.656 4.580 4.749 . 0 0 "[ . 1 . 2]" 1
666 1 31 MET H 1 34 VAL MG1 . . 5.500 5.382 5.253 5.508 0.008 2 0 "[ . 1 . 2]" 1
667 1 30 PRO QG 1 31 MET H . . 4.770 4.736 4.702 4.755 . 0 0 "[ . 1 . 2]" 1
668 1 34 VAL H 1 43 VAL QG . . 5.500 5.000 4.800 5.282 . 0 0 "[ . 1 . 2]" 1
669 1 34 VAL H 1 35 LYS QG . . 5.500 4.316 3.751 5.358 . 0 0 "[ . 1 . 2]" 1
670 1 31 MET QB 1 34 VAL H . . 5.500 5.190 5.078 5.363 . 0 0 "[ . 1 . 2]" 1
671 1 34 VAL H 1 35 LYS QD . . 4.470 3.327 3.058 3.718 . 0 0 "[ . 1 . 2]" 1
672 1 33 GLU HB3 1 34 VAL H . . 3.140 3.029 2.737 3.155 0.015 12 0 "[ . 1 . 2]" 1
673 1 34 VAL H 1 35 LYS HA . . 5.050 4.695 4.608 4.817 . 0 0 "[ . 1 . 2]" 1
674 1 18 GLU H 1 19 SER HB3 . . 5.500 5.173 5.021 5.363 . 0 0 "[ . 1 . 2]" 1
675 1 18 GLU H 1 19 SER HB2 . . 5.040 4.630 4.540 4.759 . 0 0 "[ . 1 . 2]" 1
676 1 18 GLU H 1 36 ILE HG13 . . 4.920 3.024 2.118 5.031 0.111 12 0 "[ . 1 . 2]" 1
677 1 16 VAL MG2 1 18 GLU H . . 5.500 5.389 5.207 5.572 0.072 10 0 "[ . 1 . 2]" 1
678 1 18 GLU H 1 36 ILE MG . . 4.460 3.579 3.098 4.111 . 0 0 "[ . 1 . 2]" 1
679 1 18 GLU H 1 21 LEU HB2 . . 5.400 5.039 4.768 5.145 . 0 0 "[ . 1 . 2]" 1
680 1 18 GLU H 1 36 ILE HB . . 5.500 4.487 3.835 4.832 . 0 0 "[ . 1 . 2]" 1
681 1 17 GLN H 1 21 LEU HG . . 4.980 4.323 3.989 5.041 0.061 17 0 "[ . 1 . 2]" 1
682 1 17 GLN H 1 21 LEU QD . . 4.760 3.821 2.884 4.029 . 0 0 "[ . 1 . 2]" 1
683 1 18 GLU H 1 21 LEU QD . . 5.500 4.523 3.353 4.841 . 0 0 "[ . 1 . 2]" 1
684 1 18 GLU H 1 20 GLU HG2 . . 5.400 5.231 5.048 5.403 0.003 15 0 "[ . 1 . 2]" 1
685 1 32 LYS H 1 46 GLU HA . . 4.590 3.658 3.563 3.882 . 0 0 "[ . 1 . 2]" 1
686 1 32 LYS H 1 32 LYS QE . . 5.270 4.545 4.347 5.089 . 0 0 "[ . 1 . 2]" 1
687 1 32 LYS H 1 34 VAL MG1 . . 5.500 5.232 5.032 5.394 . 0 0 "[ . 1 . 2]" 1
688 1 32 LYS H 1 43 VAL QG . . 5.220 4.775 4.606 4.908 . 0 0 "[ . 1 . 2]" 1
689 1 61 LYS H 1 68 LEU MD1 . . 4.330 4.276 4.128 4.369 0.039 14 0 "[ . 1 . 2]" 1
690 1 61 LYS H 1 61 LYS QE . . 5.370 4.525 3.324 5.329 . 0 0 "[ . 1 . 2]" 1
691 1 8 PHE HB2 1 74 LYS H . . 5.330 4.702 4.417 5.215 . 0 0 "[ . 1 . 2]" 1
692 1 61 LYS HB2 1 68 LEU H . . 4.930 4.022 3.789 4.246 . 0 0 "[ . 1 . 2]" 1
693 1 61 LYS HB3 1 68 LEU H . . 5.500 4.594 4.383 4.749 . 0 0 "[ . 1 . 2]" 1
694 1 63 PHE HB2 1 68 LEU H . . 5.500 5.134 4.791 5.417 . 0 0 "[ . 1 . 2]" 1
695 1 60 GLY HA2 1 68 LEU H . . 4.900 4.613 4.344 4.867 . 0 0 "[ . 1 . 2]" 1
696 1 67 PRO HD3 1 68 LEU H . . 5.500 5.550 5.532 5.575 0.075 16 0 "[ . 1 . 2]" 1
697 1 72 TYR HB3 1 74 LYS H . . 5.390 5.354 4.994 5.431 0.041 13 0 "[ . 1 . 2]" 1
698 1 61 LYS H 1 68 LEU MD2 . . 5.500 5.505 5.429 5.544 0.044 19 0 "[ . 1 . 2]" 1
699 1 10 ARG H 1 10 ARG QD . . 4.780 4.014 2.526 4.881 0.101 15 0 "[ . 1 . 2]" 1
700 1 10 ARG H 1 69 GLU QG . . 4.930 4.646 4.609 4.721 . 0 0 "[ . 1 . 2]" 1
701 1 63 PHE HB3 1 68 LEU H . . 5.500 4.923 4.672 5.117 . 0 0 "[ . 1 . 2]" 1
702 1 14 LEU H 1 16 VAL MG1 . . 4.880 4.600 4.571 4.640 . 0 0 "[ . 1 . 2]" 1
703 1 14 LEU H 1 64 ALA MB . . 5.500 5.528 5.486 5.562 0.062 13 0 "[ . 1 . 2]" 1
704 1 1 GLU H1 1 2 LEU HA . . 5.140 5.014 4.853 5.117 . 0 0 "[ . 1 . 2]" 1
705 1 1 GLU H1 1 2 LEU MD2 . . 4.730 4.481 4.349 4.557 . 0 0 "[ . 1 . 2]" 1
706 1 13 PRO HG3 1 14 LEU H . . 4.590 4.458 4.432 4.481 . 0 0 "[ . 1 . 2]" 1
707 1 1 GLU HG2 1 2 LEU H . . 4.400 3.471 2.428 4.826 0.426 20 0 "[ . 1 . 2]" 1
708 1 2 LEU H 1 72 TYR HB3 . . 5.210 5.161 5.036 5.219 0.009 1 0 "[ . 1 . 2]" 1
709 1 54 ALA H 1 55 ILE HA . . 5.500 5.349 5.320 5.380 . 0 0 "[ . 1 . 2]" 1
710 1 28 PHE HB3 1 54 ALA H . . 4.240 4.131 4.074 4.175 . 0 0 "[ . 1 . 2]" 1
711 1 28 PHE HB2 1 54 ALA H . . 5.500 5.547 5.516 5.580 0.080 9 0 "[ . 1 . 2]" 1
712 1 50 SER QB 1 54 ALA H . . 5.500 4.835 4.601 5.175 . 0 0 "[ . 1 . 2]" 1
713 1 54 ALA H 1 55 ILE HB . . 4.960 4.976 4.907 5.002 0.042 2 0 "[ . 1 . 2]" 1
714 1 53 LYS QG 1 54 ALA H . . 4.220 4.167 4.061 4.240 0.020 2 0 "[ . 1 . 2]" 1
715 1 54 ALA H 1 55 ILE HG13 . . 4.900 4.521 4.445 4.607 . 0 0 "[ . 1 . 2]" 1
716 1 7 LEU MD2 1 54 ALA H . . 4.830 4.646 4.474 4.765 . 0 0 "[ . 1 . 2]" 1
717 1 1 GLU HG3 1 2 LEU H . . 4.810 3.290 2.212 4.612 . 0 0 "[ . 1 . 2]" 1
718 1 41 ALA MB 1 43 VAL H . . 5.400 5.184 5.107 5.259 . 0 0 "[ . 1 . 2]" 1
719 1 6 ARG QG 1 43 VAL H . . 4.400 3.992 3.881 4.125 . 0 0 "[ . 1 . 2]" 1
720 1 35 LYS QB 1 43 VAL H . . 5.500 5.311 4.936 5.493 . 0 0 "[ . 1 . 2]" 1
721 1 43 VAL H 1 44 GLU HB2 . . 5.500 5.096 4.987 5.215 . 0 0 "[ . 1 . 2]" 1
722 1 7 LEU MD2 1 43 VAL H . . 5.070 5.007 4.934 5.102 0.032 3 0 "[ . 1 . 2]" 1
723 1 43 VAL H 1 44 GLU HA . . 5.090 4.607 4.555 4.658 . 0 0 "[ . 1 . 2]" 1
724 1 36 ILE HA 1 41 ALA H . . 5.500 5.422 5.345 5.614 0.114 19 0 "[ . 1 . 2]" 1
725 1 9 VAL MG1 1 41 ALA H . . 5.010 4.711 4.606 4.814 . 0 0 "[ . 1 . 2]" 1
726 1 9 VAL MG2 1 41 ALA H . . 4.500 4.311 4.194 4.433 . 0 0 "[ . 1 . 2]" 1
727 1 41 ALA H 1 42 PHE HZ . . 5.500 5.272 4.986 5.465 . 0 0 "[ . 1 . 2]" 1
728 1 20 GLU HA 1 22 ASN H . . 4.550 4.248 4.046 4.439 . 0 0 "[ . 1 . 2]" 1
729 1 7 LEU HA 1 72 TYR H . . 5.130 4.930 4.800 5.122 . 0 0 "[ . 1 . 2]" 1
730 1 18 GLU HB2 1 22 ASN H . . 4.740 4.403 4.310 4.532 . 0 0 "[ . 1 . 2]" 1
731 1 22 ASN HB2 1 23 GLU H . . 3.270 2.811 2.728 2.944 . 0 0 "[ . 1 . 2]" 1
732 1 22 ASN HB3 1 23 GLU H . . 3.770 3.349 3.128 3.516 . 0 0 "[ . 1 . 2]" 1
733 1 20 GLU HA 1 23 GLU H . . 3.680 3.348 3.297 3.458 . 0 0 "[ . 1 . 2]" 1
734 1 23 GLU H 1 24 ILE HG13 . . 5.020 4.329 4.235 4.467 . 0 0 "[ . 1 . 2]" 1
735 1 23 GLU H 1 24 ILE MD . . 5.220 4.841 4.741 4.953 . 0 0 "[ . 1 . 2]" 1
736 1 3 SER HA 1 4 ASN H . . 2.690 2.533 2.498 2.565 . 0 0 "[ . 1 . 2]" 1
737 1 23 GLU H 1 24 ILE HA . . 5.430 5.140 5.115 5.159 . 0 0 "[ . 1 . 2]" 1
738 1 23 GLU H 1 24 ILE HB . . 4.930 4.671 4.585 4.725 . 0 0 "[ . 1 . 2]" 1
739 1 53 LYS H 1 54 ALA HA . . 5.490 5.209 5.143 5.263 . 0 0 "[ . 1 . 2]" 1
740 1 53 LYS H 1 54 ALA MB . . 4.430 4.128 4.079 4.191 . 0 0 "[ . 1 . 2]" 1
741 1 49 GLU H 1 50 SER QB . . 5.000 4.611 4.498 4.743 . 0 0 "[ . 1 . 2]" 1
742 1 49 GLU H 1 52 ALA MB . . 4.860 4.637 4.564 4.723 . 0 0 "[ . 1 . 2]" 1
743 1 4 ASN H 1 6 ARG HB2 . . 5.320 4.734 4.638 4.822 . 0 0 "[ . 1 . 2]" 1
744 1 58 VAL H 1 70 VAL MG2 . . 4.430 4.293 4.108 4.453 0.023 3 0 "[ . 1 . 2]" 1
745 1 54 ALA MB 1 58 VAL H . . 4.340 3.763 3.734 3.818 . 0 0 "[ . 1 . 2]" 1
746 1 58 VAL H 1 61 LYS HG2 . . 5.020 4.995 4.525 5.995 0.975 2 5 "[*+ . * 1 -. * 2]" 1
747 1 58 VAL H 1 61 LYS QD . . 5.500 5.489 5.266 5.552 0.052 3 0 "[ . 1 . 2]" 1
748 1 57 GLU HB2 1 58 VAL H . . 3.550 2.087 2.027 2.209 . 0 0 "[ . 1 . 2]" 1
749 1 57 GLU HG2 1 58 VAL H . . 4.720 4.263 4.198 4.312 . 0 0 "[ . 1 . 2]" 1
750 1 57 GLU HG3 1 58 VAL H . . 4.620 4.272 4.173 4.376 . 0 0 "[ . 1 . 2]" 1
751 1 54 ALA HA 1 58 VAL H . . 3.650 2.931 2.854 3.061 . 0 0 "[ . 1 . 2]" 1
752 1 58 VAL H 1 61 LYS QE . . 5.500 5.204 4.145 5.511 0.011 4 0 "[ . 1 . 2]" 1
753 1 63 PHE HA 1 66 GLN H . . 4.410 4.257 4.201 4.286 . 0 0 "[ . 1 . 2]" 1
754 1 63 PHE HB3 1 66 GLN H . . 4.870 4.722 4.606 4.830 . 0 0 "[ . 1 . 2]" 1
755 1 52 ALA H 1 55 ILE MD . . 4.700 3.533 3.361 3.813 . 0 0 "[ . 1 . 2]" 1
756 1 7 LEU MD2 1 52 ALA H . . 4.710 3.947 3.831 4.055 . 0 0 "[ . 1 . 2]" 1
757 1 7 LEU MD1 1 52 ALA H . . 5.010 4.797 4.610 4.928 . 0 0 "[ . 1 . 2]" 1
758 1 5 THR MG 1 52 ALA H . . 5.350 5.115 4.914 5.229 . 0 0 "[ . 1 . 2]" 1
759 1 52 ALA H 1 54 ALA MB . . 5.200 5.009 4.953 5.043 . 0 0 "[ . 1 . 2]" 1
760 1 48 ALA MB 1 52 ALA H . . 4.390 4.284 4.195 4.326 . 0 0 "[ . 1 . 2]" 1
761 1 52 ALA H 1 53 LYS QB . . 4.820 4.614 4.544 4.715 . 0 0 "[ . 1 . 2]" 1
762 1 49 GLU HA 1 52 ALA H . . 3.750 3.612 3.563 3.682 . 0 0 "[ . 1 . 2]" 1
763 1 48 ALA HA 1 52 ALA H . . 3.890 3.875 3.756 3.905 0.015 4 0 "[ . 1 . 2]" 1
764 1 5 THR HA 1 52 ALA H . . 5.500 5.257 5.075 5.367 . 0 0 "[ . 1 . 2]" 1
765 1 32 LYS QE 1 46 GLU H . . 5.500 5.054 4.477 5.614 0.114 9 0 "[ . 1 . 2]" 1
766 1 46 GLU H 1 50 SER QB . . 5.500 4.355 4.287 4.475 . 0 0 "[ . 1 . 2]" 1
767 1 46 GLU H 1 51 ALA MB . . 5.500 5.543 5.504 5.591 0.091 6 0 "[ . 1 . 2]" 1
768 1 31 MET HG3 1 46 GLU H . . 5.500 5.283 4.842 5.769 0.269 10 0 "[ . 1 . 2]" 1
769 1 45 PHE HB2 1 52 ALA H . . 5.330 5.260 5.104 5.351 0.021 19 0 "[ . 1 . 2]" 1
770 1 51 ALA HA 1 55 ILE H . . 4.210 4.101 4.057 4.160 . 0 0 "[ . 1 . 2]" 1
771 1 51 ALA MB 1 55 ILE H . . 4.630 4.668 4.646 4.692 0.062 6 0 "[ . 1 . 2]" 1
772 1 37 LEU HB3 1 38 ASN H . . 3.170 2.852 2.813 2.933 . 0 0 "[ . 1 . 2]" 1
773 1 61 LYS QE 1 62 SER H . . 4.450 4.008 3.469 4.389 . 0 0 "[ . 1 . 2]" 1
774 1 58 VAL MG1 1 62 SER H . . 5.500 5.574 5.492 5.647 0.147 6 0 "[ . 1 . 2]" 1
775 1 62 SER H 1 68 LEU MD1 . . 4.890 3.635 3.520 3.870 . 0 0 "[ . 1 . 2]" 1
776 1 60 GLY H 1 68 LEU MD1 . . 5.500 5.453 5.286 5.521 0.021 9 0 "[ . 1 . 2]" 1
777 1 60 GLY H 1 61 LYS HG2 . . 5.090 4.828 4.471 5.608 0.518 7 2 "[ - . + 1 . 2]" 1
778 1 60 GLY H 1 61 LYS HB2 . . 4.630 4.334 4.262 4.426 . 0 0 "[ . 1 . 2]" 1
779 1 60 GLY H 1 68 LEU HA . . 5.500 5.225 5.016 5.329 . 0 0 "[ . 1 . 2]" 1
780 1 55 ILE HG12 1 71 VAL H . . 4.430 4.342 4.222 4.446 0.016 10 0 "[ . 1 . 2]" 1
781 1 55 ILE HA 1 71 VAL H . . 5.230 4.994 4.886 5.075 . 0 0 "[ . 1 . 2]" 1
782 1 21 LEU QD 1 42 PHE H . . 4.200 3.290 2.933 3.544 . 0 0 "[ . 1 . 2]" 1
783 1 7 LEU HB3 1 73 SER H . . 4.540 4.419 4.191 4.590 0.050 9 0 "[ . 1 . 2]" 1
784 1 6 ARG QG 1 73 SER H . . 4.480 4.391 4.140 4.497 0.017 14 0 "[ . 1 . 2]" 1
785 1 7 LEU HG 1 73 SER H . . 5.500 5.414 5.276 5.553 0.053 9 0 "[ . 1 . 2]" 1
786 1 6 ARG HB2 1 73 SER H . . 5.100 4.983 4.819 5.123 0.023 10 0 "[ . 1 . 2]" 1
787 1 71 VAL HB 1 73 SER H . . 5.500 5.372 4.682 5.579 0.079 3 0 "[ . 1 . 2]" 1
788 1 8 PHE HB3 1 73 SER H . . 4.850 3.676 3.405 3.861 . 0 0 "[ . 1 . 2]" 1
789 1 42 PHE H 1 43 VAL HA . . 5.030 4.847 4.795 4.897 . 0 0 "[ . 1 . 2]" 1
790 1 34 VAL HA 1 42 PHE H . . 5.260 5.122 4.970 5.274 0.014 15 0 "[ . 1 . 2]" 1
791 1 35 LYS HA 1 42 PHE H . . 5.040 4.742 4.603 4.834 . 0 0 "[ . 1 . 2]" 1
792 1 2 LEU MD2 1 3 SER H . . 4.430 4.392 4.259 4.454 0.024 14 0 "[ . 1 . 2]" 1
793 1 2 LEU HG 1 3 SER H . . 4.610 4.454 4.308 4.547 . 0 0 "[ . 1 . 2]" 1
794 1 3 SER H 1 72 TYR HA . . 4.570 4.543 4.427 4.580 0.010 3 0 "[ . 1 . 2]" 1
795 1 14 LEU HG 1 15 ASP H . . 3.990 2.593 2.385 2.778 . 0 0 "[ . 1 . 2]" 1
796 1 13 PRO HG3 1 15 ASP H . . 4.280 4.083 4.071 4.098 . 0 0 "[ . 1 . 2]" 1
797 1 13 PRO HG2 1 15 ASP H . . 4.370 2.470 2.463 2.478 . 0 0 "[ . 1 . 2]" 1
798 1 15 ASP H 1 64 ALA MB . . 5.450 5.085 4.817 5.281 . 0 0 "[ . 1 . 2]" 1
799 1 13 PRO QD 1 15 ASP H . . 5.200 3.951 3.939 3.965 . 0 0 "[ . 1 . 2]" 1
800 1 32 LYS HB2 1 47 GLU H . . 5.400 4.889 4.732 5.198 . 0 0 "[ . 1 . 2]" 1
801 1 47 GLU H 1 48 ALA MB . . 5.500 5.415 5.390 5.468 . 0 0 "[ . 1 . 2]" 1
802 1 47 GLU H 1 51 ALA MB . . 4.880 4.363 4.286 4.444 . 0 0 "[ . 1 . 2]" 1
803 1 45 PHE HA 1 47 GLU H . . 4.040 3.745 3.703 3.775 . 0 0 "[ . 1 . 2]" 1
804 1 55 ILE HB 1 57 GLU H . . 4.920 4.727 4.675 4.867 . 0 0 "[ . 1 . 2]" 1
805 1 54 ALA MB 1 57 GLU H . . 4.460 4.342 4.300 4.388 . 0 0 "[ . 1 . 2]" 1
806 1 57 GLU H 1 70 VAL MG2 . . 5.500 5.739 5.385 5.969 0.469 7 0 "[ . 1 . 2]" 1
807 1 19 SER H 1 36 ILE MD . . 4.700 4.488 4.335 4.800 0.100 19 0 "[ . 1 . 2]" 1
808 1 19 SER H 1 36 ILE MG . . 5.500 4.963 4.747 5.361 . 0 0 "[ . 1 . 2]" 1
809 1 19 SER H 1 21 LEU HB2 . . 4.920 4.957 4.850 5.013 0.093 10 0 "[ . 1 . 2]" 1
810 1 12 PHE HB2 1 39 GLY H . . 5.500 5.620 5.542 5.685 0.185 20 0 "[ . 1 . 2]" 1
811 1 37 LEU HB3 1 39 GLY H . . 5.500 5.315 5.185 5.429 . 0 0 "[ . 1 . 2]" 1
812 1 16 VAL MG1 1 39 GLY H . . 4.670 4.600 4.409 4.722 0.052 8 0 "[ . 1 . 2]" 1
813 1 37 LEU HB2 1 39 GLY H . . 5.340 4.716 4.586 4.820 . 0 0 "[ . 1 . 2]" 1
814 1 26 GLY H 1 27 PRO QG . . 5.170 4.075 4.048 4.095 . 0 0 "[ . 1 . 2]" 1
815 1 25 PHE HB3 1 26 GLY H . . 4.330 4.234 4.190 4.265 . 0 0 "[ . 1 . 2]" 1
816 1 24 ILE HA 1 26 GLY H . . 5.040 3.873 3.843 3.934 . 0 0 "[ . 1 . 2]" 1
817 1 29 GLY H 1 30 PRO HA . . 5.140 4.972 4.948 4.990 . 0 0 "[ . 1 . 2]" 1
818 1 29 GLY H 1 50 SER QB . . 5.290 4.429 4.012 4.911 . 0 0 "[ . 1 . 2]" 1
819 1 3 SER HB2 1 5 THR H . . 4.430 4.236 3.918 4.443 0.013 2 0 "[ . 1 . 2]" 1
820 1 5 THR H 1 7 LEU MD2 . . 5.500 5.437 5.282 5.526 0.026 6 0 "[ . 1 . 2]" 1
821 1 22 ASN HD21 1 34 VAL MG2 . . 4.840 3.258 2.661 3.814 . 0 0 "[ . 1 . 2]" 1
822 1 22 ASN HD22 1 34 VAL MG2 . . 5.220 2.349 1.935 2.726 . 0 0 "[ . 1 . 2]" 1
823 1 22 ASN HD22 1 34 VAL HB . . 4.950 4.319 3.552 4.785 . 0 0 "[ . 1 . 2]" 1
824 1 22 ASN HD21 1 34 VAL HB . . 5.080 4.697 4.053 5.106 0.026 19 0 "[ . 1 . 2]" 1
825 1 18 GLU HB3 1 22 ASN HD21 . . 4.750 4.233 3.856 4.364 . 0 0 "[ . 1 . 2]" 1
826 1 18 GLU HB2 1 22 ASN HD21 . . 5.200 2.566 2.178 2.775 . 0 0 "[ . 1 . 2]" 1
827 1 18 GLU HB2 1 22 ASN HD22 . . 5.100 2.717 2.215 2.944 . 0 0 "[ . 1 . 2]" 1
828 1 18 GLU HA 1 22 ASN HD21 . . 5.500 3.445 3.095 3.648 . 0 0 "[ . 1 . 2]" 1
829 1 18 GLU HA 1 22 ASN HD22 . . 5.220 4.403 3.937 4.658 . 0 0 "[ . 1 . 2]" 1
830 1 4 ASN HD21 1 47 GLU HA . . 5.500 5.298 5.195 5.426 . 0 0 "[ . 1 . 2]" 1
831 1 25 PHE H 1 27 PRO HD2 . . 4.610 4.052 3.935 4.104 . 0 0 "[ . 1 . 2]" 1
832 1 21 LEU HB2 1 25 PHE H . . 5.500 5.403 5.261 5.562 0.062 19 0 "[ . 1 . 2]" 1
833 1 24 ILE HG13 1 25 PHE H . . 4.640 4.333 4.264 4.419 . 0 0 "[ . 1 . 2]" 1
834 1 25 PHE H 1 58 VAL MG2 . . 5.500 4.714 4.626 4.819 . 0 0 "[ . 1 . 2]" 1
835 1 12 PHE H 1 16 VAL MG1 . . 4.390 4.446 4.382 4.492 0.102 8 0 "[ . 1 . 2]" 1
836 1 64 ALA HA 1 65 ASN HD22 . . 5.170 5.103 4.801 5.677 0.507 20 1 "[ . 1 . +]" 1
837 1 50 SER H 1 52 ALA MB . . 5.140 5.048 4.977 5.109 . 0 0 "[ . 1 . 2]" 1
838 1 32 LYS QE 1 33 GLU H . . 5.500 5.208 4.533 5.542 0.042 10 0 "[ . 1 . 2]" 1
839 1 33 GLU H 1 34 VAL MG2 . . 4.950 4.701 4.561 4.853 . 0 0 "[ . 1 . 2]" 1
840 1 22 ASN HA 1 24 ILE H . . 4.130 3.927 3.881 4.009 . 0 0 "[ . 1 . 2]" 1
841 1 24 ILE H 1 25 PHE HA . . 5.190 5.005 4.928 5.066 . 0 0 "[ . 1 . 2]" 1
842 1 37 LEU HG 1 40 PHE H . . 5.500 5.474 5.353 5.521 0.021 13 0 "[ . 1 . 2]" 1
843 1 40 PHE H 1 41 ALA HA . . 4.700 4.627 4.603 4.648 . 0 0 "[ . 1 . 2]" 1
844 1 54 ALA HA 1 56 GLU H . . 4.510 4.284 4.136 4.382 . 0 0 "[ . 1 . 2]" 1
845 1 56 GLU H 1 57 GLU HG3 . . 5.270 4.795 4.568 4.897 . 0 0 "[ . 1 . 2]" 1
846 1 56 GLU H 1 57 GLU HA . . 5.010 4.921 4.871 4.963 . 0 0 "[ . 1 . 2]" 1
847 1 59 HIS H 1 69 GLU HA . . 5.500 5.347 5.014 5.535 0.035 6 0 "[ . 1 . 2]" 1
848 1 57 GLU HA 1 59 HIS H . . 4.900 4.354 4.118 4.720 . 0 0 "[ . 1 . 2]" 1
849 1 54 ALA HA 1 59 HIS H . . 5.500 5.335 5.239 5.413 . 0 0 "[ . 1 . 2]" 1
850 1 21 LEU H 1 36 ILE MD . . 4.950 4.605 4.189 4.927 . 0 0 "[ . 1 . 2]" 1
851 1 21 LEU H 1 24 ILE HG13 . . 5.500 5.347 5.274 5.429 . 0 0 "[ . 1 . 2]" 1
852 1 20 GLU HB3 1 21 LEU H . . 4.480 4.043 3.992 4.063 . 0 0 "[ . 1 . 2]" 1
853 1 19 SER HB3 1 21 LEU H . . 4.820 4.773 4.706 4.853 0.033 10 0 "[ . 1 . 2]" 1
854 1 21 LEU H 1 22 ASN HA . . 5.500 5.288 5.216 5.337 . 0 0 "[ . 1 . 2]" 1
855 1 21 LEU H 1 24 ILE MD . . 4.600 4.061 3.904 4.200 . 0 0 "[ . 1 . 2]" 1
856 1 15 ASP HB3 1 16 VAL H . . 4.540 4.281 3.996 4.510 . 0 0 "[ . 1 . 2]" 1
857 1 47 GLU HB3 1 51 ALA H . . 4.630 4.581 4.495 4.641 0.011 4 0 "[ . 1 . 2]" 1
858 1 49 GLU HB3 1 51 ALA H . . 5.130 4.830 4.777 4.908 . 0 0 "[ . 1 . 2]" 1
859 1 47 GLU HB2 1 51 ALA H . . 4.650 4.639 4.565 4.669 0.019 4 0 "[ . 1 . 2]" 1
860 1 51 ALA H 1 53 LYS QB . . 4.980 4.769 4.686 4.854 . 0 0 "[ . 1 . 2]" 1
861 1 51 ALA H 1 54 ALA MB . . 4.660 4.650 4.584 4.689 0.029 11 0 "[ . 1 . 2]" 1
862 1 5 THR MG 1 51 ALA H . . 4.350 4.038 3.889 4.149 . 0 0 "[ . 1 . 2]" 1
863 1 7 LEU MD1 1 51 ALA H . . 4.620 4.535 4.480 4.638 0.018 10 0 "[ . 1 . 2]" 1
864 1 7 LEU MD2 1 51 ALA H . . 4.550 4.368 4.304 4.456 . 0 0 "[ . 1 . 2]" 1
865 1 20 GLU H 1 21 LEU QD . . 4.830 3.986 3.674 4.086 . 0 0 "[ . 1 . 2]" 1
866 1 20 GLU H 1 36 ILE MD . . 5.500 5.575 5.509 5.669 0.169 13 0 "[ . 1 . 2]" 1
867 1 20 GLU H 1 21 LEU HG . . 5.000 4.491 4.292 5.220 0.220 19 0 "[ . 1 . 2]" 1
868 1 20 GLU H 1 22 ASN HB2 . . 5.500 5.217 4.958 5.366 . 0 0 "[ . 1 . 2]" 1
869 1 20 GLU H 1 21 LEU HA . . 5.380 5.181 5.141 5.208 . 0 0 "[ . 1 . 2]" 1
870 1 17 GLN HA 1 20 GLU H . . 5.130 5.179 5.062 5.219 0.089 1 0 "[ . 1 . 2]" 1
871 1 37 LEU H 1 40 PHE QD . . 4.910 3.597 3.471 3.943 . 0 0 "[ . 1 . 2]" 1
872 1 35 LYS H 1 43 VAL H . . 5.000 4.632 4.480 4.847 . 0 0 "[ . 1 . 2]" 1
873 1 7 LEU H 1 73 SER H . . 5.040 4.169 4.086 4.252 . 0 0 "[ . 1 . 2]" 1
874 1 6 ARG H 1 7 LEU H . . 4.710 3.836 3.764 3.896 . 0 0 "[ . 1 . 2]" 1
875 1 9 VAL H 1 71 VAL H . . 5.350 4.994 4.893 5.053 . 0 0 "[ . 1 . 2]" 1
876 1 9 VAL H 1 42 PHE H . . 4.960 4.319 4.136 4.453 . 0 0 "[ . 1 . 2]" 1
877 1 9 VAL H 1 12 PHE QE . . 4.730 4.773 4.682 4.819 0.089 19 0 "[ . 1 . 2]" 1
878 1 45 PHE H 1 45 PHE QE . . 5.460 5.136 4.973 5.231 . 0 0 "[ . 1 . 2]" 1
879 1 4 ASN HD22 1 48 ALA H . . 5.210 4.018 3.482 4.747 . 0 0 "[ . 1 . 2]" 1
880 1 6 ARG H 1 44 GLU HA . . 5.090 4.006 3.920 4.097 . 0 0 "[ . 1 . 2]" 1
881 1 5 THR HB 1 6 ARG H . . 5.060 3.974 3.960 4.001 . 0 0 "[ . 1 . 2]" 1
882 1 6 ARG H 1 72 TYR QE . . 5.310 3.029 2.779 3.425 . 0 0 "[ . 1 . 2]" 1
883 1 8 PHE H 1 42 PHE QD . . 4.930 4.660 4.224 4.956 0.026 7 0 "[ . 1 . 2]" 1
884 1 31 MET H 1 46 GLU H . . 4.810 4.571 4.498 4.711 . 0 0 "[ . 1 . 2]" 1
885 1 7 LEU H 1 8 PHE H . . 4.400 4.282 4.247 4.320 . 0 0 "[ . 1 . 2]" 1
886 1 31 MET H 1 45 PHE QD . . 4.360 3.575 3.246 3.836 . 0 0 "[ . 1 . 2]" 1
887 1 17 GLN HE21 1 18 GLU H . . 5.500 5.481 5.393 5.544 0.044 17 0 "[ . 1 . 2]" 1
888 1 17 GLN H 1 17 GLN HE21 . . 5.380 4.385 4.169 5.379 . 0 0 "[ . 1 . 2]" 1
889 1 10 ARG H 1 12 PHE QD . . 5.500 5.362 5.271 5.443 . 0 0 "[ . 1 . 2]" 1
890 1 9 VAL H 1 10 ARG H . . 4.730 4.540 4.532 4.547 . 0 0 "[ . 1 . 2]" 1
891 1 45 PHE QE 1 54 ALA H . . 4.560 4.426 4.370 4.499 . 0 0 "[ . 1 . 2]" 1
892 1 54 ALA H 1 56 GLU H . . 4.450 4.346 4.256 4.392 . 0 0 "[ . 1 . 2]" 1
893 1 45 PHE QD 1 54 ALA H . . 4.890 4.920 4.891 4.953 0.063 9 0 "[ . 1 . 2]" 1
894 1 51 ALA H 1 54 ALA H . . 4.960 4.711 4.653 4.750 . 0 0 "[ . 1 . 2]" 1
895 1 54 ALA H 1 57 GLU H . . 4.590 4.627 4.575 4.654 0.064 4 0 "[ . 1 . 2]" 1
896 1 43 VAL H 1 44 GLU H . . 4.490 4.073 3.995 4.153 . 0 0 "[ . 1 . 2]" 1
897 1 8 PHE H 1 43 VAL H . . 5.100 4.902 4.830 4.981 . 0 0 "[ . 1 . 2]" 1
898 1 41 ALA H 1 42 PHE HA . . 5.170 4.937 4.878 4.985 . 0 0 "[ . 1 . 2]" 1
899 1 41 ALA H 1 42 PHE QD . . 4.880 4.724 4.393 4.900 0.020 20 0 "[ . 1 . 2]" 1
900 1 10 ARG H 1 41 ALA H . . 5.500 4.884 4.769 4.981 . 0 0 "[ . 1 . 2]" 1
901 1 37 LEU H 1 41 ALA H . . 5.500 4.952 4.896 4.995 . 0 0 "[ . 1 . 2]" 1
902 1 4 ASN H 1 72 TYR QE . . 5.120 4.779 4.665 4.905 . 0 0 "[ . 1 . 2]" 1
903 1 4 ASN H 1 72 TYR QD . . 5.270 5.306 5.274 5.331 0.061 13 0 "[ . 1 . 2]" 1
904 1 4 ASN H 1 4 ASN HD21 . . 5.050 4.843 4.744 4.904 . 0 0 "[ . 1 . 2]" 1
905 1 51 ALA H 1 53 LYS H . . 4.200 3.911 3.833 4.006 . 0 0 "[ . 1 . 2]" 1
906 1 49 GLU H 1 51 ALA H . . 4.240 4.127 4.067 4.251 0.011 18 0 "[ . 1 . 2]" 1
907 1 48 ALA H 1 49 GLU H . . 3.070 2.837 2.791 2.865 . 0 0 "[ . 1 . 2]" 1
908 1 4 ASN H 1 5 THR H . . 2.850 2.401 2.289 2.489 . 0 0 "[ . 1 . 2]" 1
909 1 53 LYS H 1 54 ALA H . . 2.800 2.615 2.531 2.677 . 0 0 "[ . 1 . 2]" 1
910 1 52 ALA H 1 53 LYS H . . 2.850 2.746 2.709 2.793 . 0 0 "[ . 1 . 2]" 1
911 1 49 GLU H 1 52 ALA H . . 4.750 4.739 4.696 4.771 0.021 18 0 "[ . 1 . 2]" 1
912 1 59 HIS H 1 61 LYS H . . 4.940 4.731 4.666 4.810 . 0 0 "[ . 1 . 2]" 1
913 1 64 ALA H 1 66 GLN H . . 4.450 4.184 4.079 4.302 . 0 0 "[ . 1 . 2]" 1
914 1 52 ALA H 1 72 TYR QE . . 4.520 4.257 4.103 4.389 . 0 0 "[ . 1 . 2]" 1
915 1 38 ASN H 1 40 PHE H . . 4.680 4.619 4.565 4.654 . 0 0 "[ . 1 . 2]" 1
916 1 38 ASN H 1 40 PHE QE . . 5.020 4.999 4.932 5.031 0.011 17 0 "[ . 1 . 2]" 1
917 1 38 ASN H 1 40 PHE QD . . 5.340 5.378 5.332 5.437 0.097 19 0 "[ . 1 . 2]" 1
918 1 59 HIS H 1 60 GLY H . . 4.630 4.496 4.470 4.530 . 0 0 "[ . 1 . 2]" 1
919 1 60 GLY H 1 69 GLU H . . 5.130 4.747 4.479 4.945 . 0 0 "[ . 1 . 2]" 1
920 1 72 TYR QE 1 73 SER H . . 5.500 5.416 5.293 5.520 0.020 4 0 "[ . 1 . 2]" 1
921 1 8 PHE QD 1 42 PHE H . . 5.500 5.497 5.285 5.591 0.091 8 0 "[ . 1 . 2]" 1
922 1 35 LYS H 1 42 PHE H . . 3.370 3.276 3.153 3.402 0.032 12 0 "[ . 1 . 2]" 1
923 1 3 SER H 1 73 SER H . . 5.050 5.061 5.004 5.115 0.065 4 0 "[ . 1 . 2]" 1
924 1 3 SER H 1 72 TYR QD . . 4.900 2.809 2.713 2.971 . 0 0 "[ . 1 . 2]" 1
925 1 33 GLU H 1 46 GLU H . . 4.880 4.960 4.913 5.008 0.128 3 0 "[ . 1 . 2]" 1
926 1 47 GLU H 1 49 GLU H . . 5.500 5.397 5.184 5.492 . 0 0 "[ . 1 . 2]" 1
927 1 57 GLU H 1 59 HIS H . . 3.790 3.548 3.409 3.807 0.017 7 0 "[ . 1 . 2]" 1
928 1 28 PHE HZ 1 57 GLU H . . 4.860 4.834 4.802 4.883 0.023 10 0 "[ . 1 . 2]" 1
929 1 19 SER H 1 22 ASN HD21 . . 4.900 4.726 4.208 4.930 0.030 17 0 "[ . 1 . 2]" 1
930 1 12 PHE H 1 39 GLY H . . 4.750 3.883 3.825 3.954 . 0 0 "[ . 1 . 2]" 1
931 1 12 PHE H 1 41 ALA H . . 5.500 5.473 5.361 5.527 0.027 14 0 "[ . 1 . 2]" 1
932 1 39 GLY H 1 40 PHE HA . . 4.680 4.278 4.233 4.346 . 0 0 "[ . 1 . 2]" 1
933 1 39 GLY H 1 40 PHE QD . . 4.850 4.722 4.634 4.866 0.016 19 0 "[ . 1 . 2]" 1
934 1 37 LEU H 1 39 GLY H . . 5.180 4.846 4.744 4.950 . 0 0 "[ . 1 . 2]" 1
935 1 22 ASN H 1 26 GLY H . . 5.500 5.473 5.418 5.537 0.037 9 0 "[ . 1 . 2]" 1
936 1 5 THR H 1 72 TYR QE . . 5.050 4.352 4.060 4.718 . 0 0 "[ . 1 . 2]" 1
937 1 4 ASN HD22 1 5 THR H . . 5.460 4.924 3.815 5.496 0.036 10 0 "[ . 1 . 2]" 1
938 1 65 ASN H 1 65 ASN HD22 . . 4.500 4.367 3.926 4.888 0.388 1 0 "[ . 1 . 2]" 1
939 1 63 PHE QD 1 65 ASN H . . 5.290 5.195 4.872 5.327 0.037 20 0 "[ . 1 . 2]" 1
940 1 4 ASN HD21 1 48 ALA H . . 5.380 3.843 3.682 3.990 . 0 0 "[ . 1 . 2]" 1
941 1 14 LEU H 1 15 ASP H . . 3.140 2.737 2.727 2.750 . 0 0 "[ . 1 . 2]" 1
942 1 55 ILE H 1 57 GLU H . . 4.030 3.732 3.690 3.824 . 0 0 "[ . 1 . 2]" 1
943 1 55 ILE H 1 58 VAL H . . 5.170 4.816 4.770 4.891 . 0 0 "[ . 1 . 2]" 1
944 1 70 VAL H 1 71 VAL H . . 5.160 4.357 4.293 4.425 . 0 0 "[ . 1 . 2]" 1
945 1 70 VAL MG1 1 71 VAL H . . 3.260 2.321 2.052 2.566 . 0 0 "[ . 1 . 2]" 1
946 1 6 ARG H 1 6 ARG QD . . 5.210 5.088 4.605 5.218 0.008 15 0 "[ . 1 . 2]" 1
947 1 59 HIS HB3 1 60 GLY H . . 4.530 4.350 4.317 4.402 . 0 0 "[ . 1 . 2]" 1
948 1 7 LEU H 1 8 PHE HA . . 4.950 4.807 4.778 4.837 . 0 0 "[ . 1 . 2]" 1
949 1 37 LEU QD 1 42 PHE H . . 5.030 5.041 5.010 5.069 0.039 13 0 "[ . 1 . 2]" 1
950 1 36 ILE MG 1 42 PHE H . . 4.310 3.877 3.528 4.413 0.103 12 0 "[ . 1 . 2]" 1
951 1 36 ILE MD 1 42 PHE H . . 5.320 4.396 3.339 5.140 . 0 0 "[ . 1 . 2]" 1
952 1 37 LEU HG 1 42 PHE H . . 5.490 5.406 5.153 5.516 0.026 12 0 "[ . 1 . 2]" 1
953 1 12 PHE QE 1 42 PHE H . . 5.500 5.449 5.251 5.534 0.034 19 0 "[ . 1 . 2]" 1
954 1 42 PHE H 1 42 PHE QE . . 4.950 4.875 4.683 4.999 0.049 4 0 "[ . 1 . 2]" 1
955 1 45 PHE H 1 51 ALA H . . 5.390 5.250 5.010 5.378 . 0 0 "[ . 1 . 2]" 1
956 1 62 SER H 1 68 LEU HG . . 4.470 4.464 4.348 4.535 0.065 14 0 "[ . 1 . 2]" 1
957 1 58 VAL MG1 1 68 LEU H . . 5.500 5.471 5.349 5.560 0.060 1 0 "[ . 1 . 2]" 1
958 1 74 LYS H 1 74 LYS QE . . 4.800 4.167 2.868 4.803 0.003 1 0 "[ . 1 . 2]" 1
959 1 42 PHE QE 1 74 LYS H . . 5.500 5.493 5.277 5.554 0.054 10 0 "[ . 1 . 2]" 1
960 1 9 VAL H 1 43 VAL H . . 4.630 4.588 4.488 4.644 0.014 14 0 "[ . 1 . 2]" 1
961 1 9 VAL H 1 70 VAL MG1 . . 4.100 3.883 3.750 4.046 . 0 0 "[ . 1 . 2]" 1
962 1 7 LEU HB3 1 71 VAL H . . 4.450 4.187 4.061 4.348 . 0 0 "[ . 1 . 2]" 1
963 1 8 PHE H 1 42 PHE HA . . 5.330 4.796 4.664 4.874 . 0 0 "[ . 1 . 2]" 1
964 1 9 VAL H 1 70 VAL HA . . 5.080 4.732 4.688 4.776 . 0 0 "[ . 1 . 2]" 1
965 1 37 LEU H 1 37 LEU HG . . 3.630 2.739 2.701 2.807 . 0 0 "[ . 1 . 2]" 1
966 1 35 LYS QB 1 37 LEU H . . 5.030 4.595 4.485 4.654 . 0 0 "[ . 1 . 2]" 1
967 1 17 GLN H 1 21 LEU H . . 4.820 4.489 4.239 4.626 . 0 0 "[ . 1 . 2]" 1
968 1 70 VAL H 1 71 VAL HA . . 5.220 4.894 4.850 4.941 . 0 0 "[ . 1 . 2]" 1
969 1 69 GLU QG 1 70 VAL H . . 5.500 3.576 2.625 4.778 . 0 0 "[ . 1 . 2]" 1
970 1 58 VAL MG1 1 69 GLU H . . 4.960 4.400 4.294 4.510 . 0 0 "[ . 1 . 2]" 1
971 1 68 LEU HB3 1 70 VAL H . . 5.110 5.155 5.128 5.173 0.063 2 0 "[ . 1 . 2]" 1
972 1 7 LEU H 1 7 LEU HG . . 4.000 2.413 2.240 2.581 . 0 0 "[ . 1 . 2]" 1
973 1 33 GLU H 1 43 VAL QG . . 4.460 4.106 3.926 4.336 . 0 0 "[ . 1 . 2]" 1
974 1 22 ASN H 1 34 VAL MG1 . . 5.120 4.718 4.425 5.008 . 0 0 "[ . 1 . 2]" 1
975 1 20 GLU H 1 22 ASN H . . 4.620 4.104 3.922 4.205 . 0 0 "[ . 1 . 2]" 1
976 1 25 PHE QD 1 26 GLY H . . 4.860 4.344 4.319 4.387 . 0 0 "[ . 1 . 2]" 1
977 1 26 GLY H 1 28 PHE QD . . 5.310 4.612 4.576 4.650 . 0 0 "[ . 1 . 2]" 1
978 1 6 ARG H 1 73 SER H . . 5.500 4.850 4.704 4.946 . 0 0 "[ . 1 . 2]" 1
979 1 59 HIS HA 1 61 LYS H . . 3.690 3.443 3.395 3.472 . 0 0 "[ . 1 . 2]" 1
980 1 9 VAL MG2 1 43 VAL H . . 3.810 3.788 3.694 3.831 0.021 12 0 "[ . 1 . 2]" 1
981 1 32 LYS H 1 32 LYS HB2 . . 3.270 2.473 2.064 2.720 . 0 0 "[ . 1 . 2]" 1
982 1 32 LYS H 1 32 LYS HB3 . . 3.650 2.653 2.341 3.382 . 0 0 "[ . 1 . 2]" 1
983 1 35 LYS H 1 35 LYS QG . . 4.000 2.830 2.280 4.029 0.029 18 0 "[ . 1 . 2]" 1
984 1 34 VAL HB 1 35 LYS H . . 3.390 3.111 2.758 3.411 0.021 12 0 "[ . 1 . 2]" 1
985 1 35 LYS H 1 35 LYS QB . . 3.660 2.747 2.374 2.882 . 0 0 "[ . 1 . 2]" 1
986 1 61 LYS H 1 61 LYS HG2 . . 3.390 2.864 2.581 3.537 0.147 2 0 "[ . 1 . 2]" 1
987 1 74 LYS H 1 74 LYS HG3 . . 3.880 2.987 2.300 3.775 . 0 0 "[ . 1 . 2]" 1
988 1 7 LEU HA 1 8 PHE H . . 2.930 2.141 2.139 2.145 . 0 0 "[ . 1 . 2]" 1
989 1 30 PRO HA 1 31 MET H . . 2.480 2.277 2.217 2.351 . 0 0 "[ . 1 . 2]" 1
990 1 21 LEU HA 1 24 ILE H . . 3.850 3.620 3.526 3.710 . 0 0 "[ . 1 . 2]" 1
991 1 30 PRO QG 1 46 GLU H . . 3.710 3.475 3.286 3.704 . 0 0 "[ . 1 . 2]" 1
992 1 30 PRO HB2 1 46 GLU H . . 4.250 4.165 3.968 4.282 0.032 12 0 "[ . 1 . 2]" 1
993 1 57 GLU H 1 57 GLU HB3 . . 3.750 3.641 3.618 3.659 . 0 0 "[ . 1 . 2]" 1
994 1 10 ARG QB 1 69 GLU H . . 3.230 2.739 2.592 3.024 . 0 0 "[ . 1 . 2]" 1
995 1 20 GLU H 1 20 GLU HB3 . . 3.460 2.791 2.753 2.850 . 0 0 "[ . 1 . 2]" 1
996 1 20 GLU H 1 20 GLU HB2 . . 3.660 3.573 3.565 3.579 . 0 0 "[ . 1 . 2]" 1
997 1 33 GLU H 1 33 GLU HB2 . . 3.240 3.090 2.908 3.189 . 0 0 "[ . 1 . 2]" 1
998 1 33 GLU H 1 44 GLU HB3 . . 3.390 3.054 2.837 3.175 . 0 0 "[ . 1 . 2]" 1
999 1 44 GLU H 1 44 GLU HB2 . . 3.180 2.969 2.881 3.049 . 0 0 "[ . 1 . 2]" 1
1000 1 22 ASN HB2 1 22 ASN HD21 . . 3.650 2.356 2.121 2.581 . 0 0 "[ . 1 . 2]" 1
1001 1 36 ILE H 1 37 LEU H . . 4.320 4.053 4.022 4.099 . 0 0 "[ . 1 . 2]" 1
1002 1 21 LEU QD 1 35 LYS H . . 4.070 3.585 3.222 4.111 0.041 19 0 "[ . 1 . 2]" 1
1003 1 7 LEU H 1 45 PHE QD . . 5.240 5.116 4.958 5.215 . 0 0 "[ . 1 . 2]" 1
1004 1 44 GLU HB2 1 45 PHE H . . 4.890 4.357 4.292 4.383 . 0 0 "[ . 1 . 2]" 1
1005 1 44 GLU HB3 1 45 PHE H . . 5.260 4.405 4.364 4.422 . 0 0 "[ . 1 . 2]" 1
1006 1 8 PHE H 1 70 VAL MG1 . . 3.980 3.283 3.148 3.412 . 0 0 "[ . 1 . 2]" 1
1007 1 69 GLU QB 1 70 VAL H . . 3.770 3.449 3.137 3.746 . 0 0 "[ . 1 . 2]" 1
1008 1 17 GLN H 1 17 GLN HB3 . . 3.530 3.395 3.356 3.550 0.020 1 0 "[ . 1 . 2]" 1
1009 1 32 LYS H 1 45 PHE H . . 5.060 4.420 4.333 4.503 . 0 0 "[ . 1 . 2]" 1
1010 1 32 LYS H 1 47 GLU H . . 5.500 4.662 4.581 4.894 . 0 0 "[ . 1 . 2]" 1
1011 1 32 LYS H 1 44 GLU HG2 . . 4.110 4.104 4.036 4.131 0.021 10 0 "[ . 1 . 2]" 1
1012 1 65 ASN H 1 66 GLN QG . . 5.200 4.568 4.215 4.846 . 0 0 "[ . 1 . 2]" 1
1013 1 65 ASN H 1 66 GLN HA . . 5.430 5.298 5.272 5.311 . 0 0 "[ . 1 . 2]" 1
1014 1 55 ILE HA 1 57 GLU H . . 4.270 4.120 4.023 4.301 0.031 12 0 "[ . 1 . 2]" 1
1015 1 37 LEU QD 1 40 PHE H . . 5.060 4.428 4.334 4.512 . 0 0 "[ . 1 . 2]" 1
1016 1 40 PHE H 1 41 ALA MB . . 5.480 4.681 4.637 4.727 . 0 0 "[ . 1 . 2]" 1
1017 1 61 LYS HB3 1 62 SER H . . 3.330 1.953 1.923 1.999 . 0 0 "[ . 1 . 2]" 1
1018 1 2 LEU MD1 1 4 ASN H . . 5.000 4.377 4.322 4.449 . 0 0 "[ . 1 . 2]" 1
1019 1 24 ILE MD 1 25 PHE H . . 4.430 4.206 4.161 4.311 . 0 0 "[ . 1 . 2]" 1
1020 1 26 GLY HA2 1 28 PHE H . . 4.090 3.999 3.977 4.032 . 0 0 "[ . 1 . 2]" 1
1021 1 58 VAL MG1 1 59 HIS H . . 4.380 3.696 3.522 3.791 . 0 0 "[ . 1 . 2]" 1
1022 1 58 VAL MG2 1 59 HIS H . . 4.570 3.751 3.646 3.846 . 0 0 "[ . 1 . 2]" 1
1023 1 47 GLU QG 1 48 ALA H . . 4.520 4.178 3.742 4.465 . 0 0 "[ . 1 . 2]" 1
1024 1 44 GLU H 1 44 GLU HB3 . . 3.610 2.470 2.431 2.506 . 0 0 "[ . 1 . 2]" 1
1025 1 10 ARG H 1 70 VAL MG1 . . 4.770 4.834 4.732 4.974 0.204 4 0 "[ . 1 . 2]" 1
1026 1 31 MET QB 1 46 GLU H . . 5.480 4.716 4.516 4.827 . 0 0 "[ . 1 . 2]" 1
1027 1 32 LYS QD 1 46 GLU H . . 5.500 5.235 4.122 5.600 0.100 20 0 "[ . 1 . 2]" 1
1028 1 32 LYS HB2 1 46 GLU H . . 4.590 3.296 3.055 3.530 . 0 0 "[ . 1 . 2]" 1
1029 1 53 LYS QB 1 55 ILE H . . 4.650 4.409 4.387 4.439 . 0 0 "[ . 1 . 2]" 1
1030 1 35 LYS QG 1 42 PHE H . . 5.500 4.613 4.201 5.009 . 0 0 "[ . 1 . 2]" 1
1031 1 7 LEU HB2 1 73 SER H . . 5.320 5.100 4.919 5.253 . 0 0 "[ . 1 . 2]" 1
1032 1 8 PHE HB2 1 73 SER H . . 4.740 4.297 4.121 4.573 . 0 0 "[ . 1 . 2]" 1
1033 1 5 THR HA 1 47 GLU H . . 5.500 5.570 5.531 5.654 0.154 9 0 "[ . 1 . 2]" 1
1034 1 31 MET HA 1 47 GLU H . . 5.500 4.999 4.858 5.099 . 0 0 "[ . 1 . 2]" 1
1035 1 16 VAL HB 1 39 GLY H . . 5.500 5.239 5.086 5.362 . 0 0 "[ . 1 . 2]" 1
1036 1 25 PHE H 1 26 GLY HA2 . . 5.200 4.811 4.734 4.842 . 0 0 "[ . 1 . 2]" 1
1037 1 25 PHE H 1 26 GLY HA3 . . 5.500 4.733 4.628 4.759 . 0 0 "[ . 1 . 2]" 1
1038 1 24 ILE H 1 25 PHE HB2 . . 4.690 4.532 4.416 4.622 . 0 0 "[ . 1 . 2]" 1
1039 1 52 ALA MB 1 55 ILE H . . 5.500 4.803 4.735 4.842 . 0 0 "[ . 1 . 2]" 1
1040 1 35 LYS H 1 36 ILE H . . 4.390 4.377 4.247 4.454 0.064 6 0 "[ . 1 . 2]" 1
1041 1 8 PHE QD 1 10 ARG H . . 5.500 5.592 5.503 5.639 0.139 19 0 "[ . 1 . 2]" 1
1042 1 8 PHE QE 1 10 ARG H . . 5.500 5.276 5.078 5.421 . 0 0 "[ . 1 . 2]" 1
1043 1 8 PHE QD 1 41 ALA H . . 4.060 3.490 3.118 3.910 . 0 0 "[ . 1 . 2]" 1
1044 1 8 PHE QE 1 41 ALA H . . 4.280 3.229 2.916 3.499 . 0 0 "[ . 1 . 2]" 1
1045 1 60 GLY H 1 70 VAL H . . 5.040 4.080 3.882 4.544 . 0 0 "[ . 1 . 2]" 1
1046 1 36 ILE H 1 37 LEU HG . . 4.210 3.564 3.498 3.745 . 0 0 "[ . 1 . 2]" 1
1047 1 9 VAL MG2 1 42 PHE H . . 4.540 3.863 3.591 4.167 . 0 0 "[ . 1 . 2]" 1
1048 1 6 ARG HB3 1 7 LEU H . . 4.720 3.900 3.809 3.970 . 0 0 "[ . 1 . 2]" 1
1049 1 17 GLN H 1 36 ILE MG . . 5.000 3.349 3.018 3.531 . 0 0 "[ . 1 . 2]" 1
1050 1 36 ILE H 1 37 LEU QD . . 4.180 3.727 3.544 3.838 . 0 0 "[ . 1 . 2]" 1
1051 1 68 LEU H 1 68 LEU HB3 . . 3.660 3.537 3.514 3.564 . 0 0 "[ . 1 . 2]" 1
1052 1 51 ALA HA 1 52 ALA HA . . 4.970 4.827 4.812 4.840 . 0 0 "[ . 1 . 2]" 1
1053 1 18 GLU HB2 1 22 ASN HB2 . . 4.630 4.539 4.192 4.658 0.028 18 0 "[ . 1 . 2]" 1
1054 1 59 HIS HB2 1 70 VAL HB . . 3.990 3.063 2.782 3.295 . 0 0 "[ . 1 . 2]" 1
1055 1 68 LEU HB2 1 68 LEU MD1 . . 3.450 2.409 2.318 2.426 . 0 0 "[ . 1 . 2]" 1
1056 1 58 VAL HB 1 70 VAL MG2 . . 3.450 2.051 1.931 2.192 . 0 0 "[ . 1 . 2]" 1
1057 1 12 PHE H 1 16 VAL MG2 . . 4.100 2.972 2.749 3.081 . 0 0 "[ . 1 . 2]" 1
1058 1 16 VAL HA 1 16 VAL MG2 . . 2.780 2.379 2.338 2.408 . 0 0 "[ . 1 . 2]" 1
1059 1 16 VAL HA 1 20 GLU HG2 . . 4.170 3.830 3.607 4.024 . 0 0 "[ . 1 . 2]" 1
1060 1 6 ARG HA 1 6 ARG QD . . 4.330 3.847 3.001 4.004 . 0 0 "[ . 1 . 2]" 1
1061 1 7 LEU HB3 1 7 LEU MD2 . . 3.610 2.359 2.285 2.416 . 0 0 "[ . 1 . 2]" 1
1062 1 13 PRO HG3 1 64 ALA MB . . 4.300 1.911 1.869 2.013 . 0 0 "[ . 1 . 2]" 1
1063 1 18 GLU HA 1 21 LEU QD . . 4.850 2.874 1.863 3.283 . 0 0 "[ . 1 . 2]" 1
1064 1 7 LEU HA 1 8 PHE HB2 . . 5.240 4.926 4.818 5.123 . 0 0 "[ . 1 . 2]" 1
1065 1 20 GLU HG3 1 21 LEU QD . . 3.780 1.998 1.925 2.362 . 0 0 "[ . 1 . 2]" 1
1066 1 55 ILE HA 1 59 HIS H . . 4.450 3.942 3.726 4.168 . 0 0 "[ . 1 . 2]" 1
1067 1 55 ILE HA 1 55 ILE HG12 . . 3.870 2.727 2.599 2.775 . 0 0 "[ . 1 . 2]" 1
1068 1 55 ILE HA 1 55 ILE HG13 . . 4.220 2.669 2.634 2.746 . 0 0 "[ . 1 . 2]" 1
1069 1 55 ILE HA 1 70 VAL HB . . 4.290 2.696 2.544 2.859 . 0 0 "[ . 1 . 2]" 1
1070 1 58 VAL HA 1 58 VAL MG2 . . 3.400 2.424 2.412 2.440 . 0 0 "[ . 1 . 2]" 1
1071 1 20 GLU HA 1 20 GLU HG3 . . 3.800 3.673 3.633 3.730 . 0 0 "[ . 1 . 2]" 1
1072 1 14 LEU HA 1 14 LEU MD1 . . 3.700 3.783 3.633 4.060 0.360 19 0 "[ . 1 . 2]" 1
1073 1 5 THR MG 1 48 ALA HA . . 3.770 2.265 2.140 2.402 . 0 0 "[ . 1 . 2]" 1
1074 1 51 ALA HA 1 54 ALA MB . . 3.860 2.602 2.554 2.653 . 0 0 "[ . 1 . 2]" 1
1075 1 54 ALA HA 1 58 VAL MG2 . . 3.910 2.847 2.786 2.943 . 0 0 "[ . 1 . 2]" 1
1076 1 44 GLU HA 1 44 GLU HG3 . . 3.810 2.507 2.463 2.548 . 0 0 "[ . 1 . 2]" 1
1077 1 7 LEU HG 1 44 GLU HA . . 4.670 3.834 3.674 3.938 . 0 0 "[ . 1 . 2]" 1
1078 1 6 ARG HA 1 44 GLU HA . . 4.080 2.315 2.235 2.382 . 0 0 "[ . 1 . 2]" 1
1079 1 37 LEU HA 1 37 LEU QD . . 3.450 2.461 2.298 2.619 . 0 0 "[ . 1 . 2]" 1
1080 1 36 ILE HA 1 41 ALA HA . . 3.910 2.644 2.570 2.797 . 0 0 "[ . 1 . 2]" 1
1081 1 63 PHE HB3 1 64 ALA MB . . 4.050 3.730 3.580 3.887 . 0 0 "[ . 1 . 2]" 1
1082 1 25 PHE HB3 1 43 VAL QG . . 4.450 2.988 2.769 3.113 . 0 0 "[ . 1 . 2]" 1
1083 1 25 PHE HB2 1 43 VAL QG . . 4.560 3.035 2.834 3.252 . 0 0 "[ . 1 . 2]" 1
1084 1 25 PHE HB3 1 26 GLY HA2 . . 4.890 4.765 4.719 4.803 . 0 0 "[ . 1 . 2]" 1
1085 1 2 LEU MD2 1 72 TYR HB3 . . 4.650 3.930 3.732 4.147 . 0 0 "[ . 1 . 2]" 1
1086 1 4 ASN QB 1 48 ALA MB . . 4.460 3.270 2.803 3.595 . 0 0 "[ . 1 . 2]" 1
1087 1 31 MET HG2 1 43 VAL QG . . 4.760 3.279 2.551 4.597 . 0 0 "[ . 1 . 2]" 1
1088 1 59 HIS HB3 1 70 VAL HB . . 4.590 4.449 4.206 4.616 0.026 20 0 "[ . 1 . 2]" 1
1089 1 66 GLN QB 1 67 PRO HD2 . . 3.720 2.142 2.010 2.319 . 0 0 "[ . 1 . 2]" 1
1090 1 21 LEU HA 1 21 LEU HG . . 4.110 3.416 2.372 3.551 . 0 0 "[ . 1 . 2]" 1
1091 1 58 VAL HA 1 61 LYS QD . . 3.800 3.549 3.261 3.838 0.038 13 0 "[ . 1 . 2]" 1
1092 1 13 PRO HG2 1 64 ALA MB . . 4.060 3.079 2.814 3.224 . 0 0 "[ . 1 . 2]" 1
1093 1 37 LEU HA 1 37 LEU HG . . 3.930 3.042 2.984 3.155 . 0 0 "[ . 1 . 2]" 1
1094 1 58 VAL HA 1 61 LYS HG2 . . 4.150 2.777 2.323 3.733 . 0 0 "[ . 1 . 2]" 1
1095 1 63 PHE HB3 1 68 LEU MD1 . . 4.060 2.694 2.441 2.905 . 0 0 "[ . 1 . 2]" 1
1096 1 7 LEU HA 1 7 LEU MD2 . . 3.540 2.263 2.129 2.434 . 0 0 "[ . 1 . 2]" 1
1097 1 7 LEU MD2 1 72 TYR HA . . 3.600 3.004 2.892 3.190 . 0 0 "[ . 1 . 2]" 1
1098 1 55 ILE HA 1 70 VAL MG1 . . 3.640 2.677 2.484 2.825 . 0 0 "[ . 1 . 2]" 1
1099 1 36 ILE HA 1 41 ALA MB . . 3.340 2.872 2.675 3.112 . 0 0 "[ . 1 . 2]" 1
1100 1 7 LEU MD2 1 51 ALA MB . . 3.240 1.832 1.799 1.914 . 0 0 "[ . 1 . 2]" 1
1101 1 68 LEU HA 1 68 LEU MD2 . . 3.280 1.981 1.928 2.081 . 0 0 "[ . 1 . 2]" 1
1102 1 63 PHE HB2 1 68 LEU MD2 . . 3.900 3.150 2.896 3.494 . 0 0 "[ . 1 . 2]" 1
1103 1 47 GLU HA 1 48 ALA MB . . 4.020 3.955 3.922 4.013 . 0 0 "[ . 1 . 2]" 1
1104 1 48 ALA HA 1 51 ALA MB . . 4.010 2.568 2.495 2.674 . 0 0 "[ . 1 . 2]" 1
1105 1 47 GLU HA 1 51 ALA MB . . 5.500 5.405 5.369 5.462 . 0 0 "[ . 1 . 2]" 1
1106 1 51 ALA MB 1 72 TYR HA . . 5.500 5.155 5.024 5.279 . 0 0 "[ . 1 . 2]" 1
1107 1 21 LEU HA 1 24 ILE MG . . 4.550 4.034 3.725 4.256 . 0 0 "[ . 1 . 2]" 1
1108 1 24 ILE HA 1 24 ILE MG . . 3.550 2.413 2.350 2.497 . 0 0 "[ . 1 . 2]" 1
1109 1 24 ILE MG 1 25 PHE HA . . 4.720 3.290 3.097 3.439 . 0 0 "[ . 1 . 2]" 1
1110 1 18 GLU HA 1 36 ILE MD . . 3.430 2.084 1.896 2.423 . 0 0 "[ . 1 . 2]" 1
1111 1 17 GLN HA 1 36 ILE MD . . 4.050 3.539 3.223 4.101 0.051 19 0 "[ . 1 . 2]" 1
1112 1 52 ALA HA 1 55 ILE MD . . 3.790 2.137 1.960 2.412 . 0 0 "[ . 1 . 2]" 1
1113 1 55 ILE HB 1 55 ILE MD . . 3.310 2.199 2.147 2.284 . 0 0 "[ . 1 . 2]" 1
1114 1 55 ILE HA 1 55 ILE MD . . 4.190 3.851 3.834 3.864 . 0 0 "[ . 1 . 2]" 1
1115 1 63 PHE QD 1 64 ALA MB . . 3.660 2.198 1.949 3.060 . 0 0 "[ . 1 . 2]" 1
1116 1 24 ILE H 1 24 ILE MG . . 3.790 3.754 3.707 3.784 . 0 0 "[ . 1 . 2]" 1
1117 1 4 ASN HD22 1 48 ALA MB . . 4.220 2.683 1.947 3.986 . 0 0 "[ . 1 . 2]" 1
1118 1 9 VAL MG1 1 12 PHE QD . . 4.430 4.013 3.904 4.111 . 0 0 "[ . 1 . 2]" 1
1119 1 7 LEU MD2 1 8 PHE H . . 4.570 4.136 3.969 4.293 . 0 0 "[ . 1 . 2]" 1
1120 1 21 LEU HA 1 21 LEU QD . . 3.450 2.038 1.885 3.018 . 0 0 "[ . 1 . 2]" 1
1121 1 36 ILE H 1 36 ILE HG13 . . 4.260 3.570 2.965 3.821 . 0 0 "[ . 1 . 2]" 1
1122 1 69 GLU H 1 69 GLU QB . . 3.840 2.848 2.718 3.007 . 0 0 "[ . 1 . 2]" 1
1123 1 17 GLN HA 1 17 GLN HG2 . . 3.900 3.664 3.510 3.701 . 0 0 "[ . 1 . 2]" 1
1124 1 34 VAL H 1 34 VAL HB . . 4.010 3.840 3.799 3.881 . 0 0 "[ . 1 . 2]" 1
1125 1 18 GLU HG2 1 19 SER H . . 3.660 3.123 2.823 3.506 . 0 0 "[ . 1 . 2]" 1
1126 1 47 GLU QG 1 49 GLU H . . 4.810 4.671 4.324 4.815 0.005 16 0 "[ . 1 . 2]" 1
1127 1 18 GLU HG3 1 20 GLU H . . 5.380 5.140 5.002 5.224 . 0 0 "[ . 1 . 2]" 1
1128 1 36 ILE H 1 36 ILE HB . . 3.750 3.470 2.980 3.689 . 0 0 "[ . 1 . 2]" 1
1129 1 7 LEU HB3 1 7 LEU MD1 . . 3.670 2.304 2.192 2.454 . 0 0 "[ . 1 . 2]" 1
1130 1 12 PHE HB3 1 13 PRO QD . . 4.810 1.838 1.800 1.865 . 0 0 "[ . 1 . 2]" 1
1131 1 12 PHE HB3 1 16 VAL MG1 . . 4.600 4.361 4.327 4.421 . 0 0 "[ . 1 . 2]" 1
1132 1 21 LEU HA 1 24 ILE HB . . 4.290 2.788 2.535 2.965 . 0 0 "[ . 1 . 2]" 1
1133 1 36 ILE HB 1 36 ILE MD . . 3.340 3.047 2.251 3.219 . 0 0 "[ . 1 . 2]" 1
1134 1 18 GLU HG3 1 19 SER HB2 . . 3.870 3.807 3.618 3.913 0.043 12 0 "[ . 1 . 2]" 1
1135 1 18 GLU HA 1 18 GLU HG3 . . 3.700 3.659 3.596 3.688 . 0 0 "[ . 1 . 2]" 1
1136 1 7 LEU HB3 1 55 ILE HG12 . . 5.090 2.601 2.284 3.039 . 0 0 "[ . 1 . 2]" 1
1137 1 27 PRO HD2 1 28 PHE H . . 4.610 4.463 4.444 4.491 . 0 0 "[ . 1 . 2]" 1
1138 1 10 ARG HA 1 40 PHE HA . . 4.070 3.844 3.709 3.967 . 0 0 "[ . 1 . 2]" 1
1139 1 13 PRO HB3 1 15 ASP H . . 4.630 4.246 4.224 4.272 . 0 0 "[ . 1 . 2]" 1
1140 1 14 LEU HA 1 14 LEU HG . . 3.890 3.656 3.632 3.675 . 0 0 "[ . 1 . 2]" 1
1141 1 17 GLN H 1 20 GLU HB3 . . 4.740 4.508 4.251 4.641 . 0 0 "[ . 1 . 2]" 1
1142 1 21 LEU HB2 1 36 ILE MD . . 3.710 3.507 2.650 3.717 0.007 3 0 "[ . 1 . 2]" 1
1143 1 18 GLU HB2 1 36 ILE MD . . 4.010 3.030 2.627 3.243 . 0 0 "[ . 1 . 2]" 1
1144 1 12 PHE HB2 1 16 VAL MG1 . . 3.990 3.657 3.639 3.671 . 0 0 "[ . 1 . 2]" 1
1145 1 13 PRO QD 1 16 VAL MG1 . . 4.860 4.863 4.846 4.884 0.024 20 0 "[ . 1 . 2]" 1
1146 1 59 HIS HA 1 70 VAL HB . . 4.490 3.749 3.542 4.014 . 0 0 "[ . 1 . 2]" 1
1147 1 32 LYS HB2 1 32 LYS QE . . 4.600 2.756 2.001 3.890 . 0 0 "[ . 1 . 2]" 1
1148 1 32 LYS HB3 1 32 LYS QE . . 4.910 3.243 2.313 3.896 . 0 0 "[ . 1 . 2]" 1
1149 1 17 GLN HG2 1 18 GLU H . . 4.760 4.556 4.372 4.834 0.074 17 0 "[ . 1 . 2]" 1
1150 1 16 VAL H 1 16 VAL MG2 . . 3.880 3.761 3.759 3.764 . 0 0 "[ . 1 . 2]" 1
1151 1 68 LEU HB2 1 69 GLU H . . 4.900 3.845 3.732 3.993 . 0 0 "[ . 1 . 2]" 1
1152 1 12 PHE H 1 16 VAL HA . . 5.140 4.776 4.664 4.865 . 0 0 "[ . 1 . 2]" 1
1153 1 5 THR HA 1 51 ALA MB . . 3.480 2.501 2.381 2.587 . 0 0 "[ . 1 . 2]" 1
1154 1 36 ILE HA 1 36 ILE MD . . 4.170 3.200 2.357 3.662 . 0 0 "[ . 1 . 2]" 1
1155 1 18 GLU HA 1 21 LEU HB2 . . 4.300 2.272 2.111 2.357 . 0 0 "[ . 1 . 2]" 1
1156 1 18 GLU HA 1 21 LEU HB3 . . 4.720 3.842 3.725 3.905 . 0 0 "[ . 1 . 2]" 1
1157 1 49 GLU HA 1 52 ALA MB . . 3.470 2.850 2.694 2.930 . 0 0 "[ . 1 . 2]" 1
1158 1 55 ILE MG 1 56 GLU HA . . 3.980 3.409 3.354 3.500 . 0 0 "[ . 1 . 2]" 1
1159 1 61 LYS HA 1 62 SER QB . . 4.390 4.225 4.140 4.315 . 0 0 "[ . 1 . 2]" 1
1160 1 11 PRO QD 1 68 LEU MD2 . . 5.500 5.357 5.252 5.589 0.089 14 0 "[ . 1 . 2]" 1
1161 1 28 PHE QE 1 57 GLU HB2 . . 4.350 3.065 3.018 3.100 . 0 0 "[ . 1 . 2]" 1
1162 1 7 LEU HA 1 8 PHE HB3 . . 4.880 4.304 4.197 4.388 . 0 0 "[ . 1 . 2]" 1
1163 1 9 VAL HA 1 10 ARG HA . . 4.480 4.315 4.313 4.317 . 0 0 "[ . 1 . 2]" 1
1164 1 16 VAL HA 1 21 LEU QD . . 4.650 4.253 3.587 4.451 . 0 0 "[ . 1 . 2]" 1
1165 1 20 GLU HA 1 21 LEU QD . . 5.170 4.544 4.414 5.092 . 0 0 "[ . 1 . 2]" 1
1166 1 7 LEU MD1 1 51 ALA HA . . 3.600 1.987 1.912 2.251 . 0 0 "[ . 1 . 2]" 1
1167 1 12 PHE QD 1 21 LEU QD . . 3.690 3.475 3.172 3.581 . 0 0 "[ . 1 . 2]" 1
1168 1 37 LEU HG 1 42 PHE QE . . 4.690 4.038 3.260 4.620 . 0 0 "[ . 1 . 2]" 1
1169 1 61 LYS H 1 61 LYS QD . . 5.010 4.218 3.882 4.721 . 0 0 "[ . 1 . 2]" 1
1170 1 37 LEU HG 1 38 ASN H . . 5.270 4.977 4.929 5.058 . 0 0 "[ . 1 . 2]" 1
1171 1 47 GLU H 1 47 GLU HB3 . . 4.180 3.710 3.683 3.738 . 0 0 "[ . 1 . 2]" 1
1172 1 62 SER H 1 63 PHE HB2 . . 4.780 4.478 4.393 4.568 . 0 0 "[ . 1 . 2]" 1
1173 1 22 ASN H 1 36 ILE MD . . 5.500 5.386 4.811 5.542 0.042 15 0 "[ . 1 . 2]" 1
1174 1 36 ILE MD 1 37 LEU H . . 5.330 4.903 4.274 5.111 . 0 0 "[ . 1 . 2]" 1
1175 1 24 ILE MD 1 63 PHE QD . . 3.670 2.660 2.066 3.461 . 0 0 "[ . 1 . 2]" 1
1176 1 32 LYS H 1 32 LYS QD . . 4.700 4.440 4.039 4.724 0.024 8 0 "[ . 1 . 2]" 1
1177 1 29 GLY H 1 30 PRO HD2 . . 5.440 4.795 4.785 4.804 . 0 0 "[ . 1 . 2]" 1
1178 1 55 ILE MD 1 72 TYR HA . . 3.780 2.286 1.972 2.448 . 0 0 "[ . 1 . 2]" 1
1179 1 7 LEU MD1 1 55 ILE HA . . 3.660 3.382 3.243 3.573 . 0 0 "[ . 1 . 2]" 1
1180 1 55 ILE HA 1 58 VAL MG2 . . 4.080 4.081 4.004 4.219 0.139 16 0 "[ . 1 . 2]" 1
1181 1 5 THR HA 1 6 ARG H . . 3.140 2.245 2.240 2.257 . 0 0 "[ . 1 . 2]" 1
1182 1 49 GLU HA 1 49 GLU HB2 . . 3.020 2.533 2.395 2.605 . 0 0 "[ . 1 . 2]" 1
1183 1 53 LYS HA 1 53 LYS QD . . 3.470 2.228 1.996 2.481 . 0 0 "[ . 1 . 2]" 1
1184 1 54 ALA HA 1 57 GLU HB2 . . 4.270 2.141 2.061 2.226 . 0 0 "[ . 1 . 2]" 1
1185 1 2 LEU HB2 1 72 TYR HB3 . . 4.620 2.274 2.135 2.401 . 0 0 "[ . 1 . 2]" 1
1186 1 2 LEU HB2 1 72 TYR HB2 . . 4.670 3.233 3.018 3.326 . 0 0 "[ . 1 . 2]" 1
1187 1 2 LEU HB3 1 72 TYR HB2 . . 5.040 3.352 3.170 3.472 . 0 0 "[ . 1 . 2]" 1
1188 1 7 LEU MD2 1 55 ILE HG13 . . 3.380 2.067 1.946 2.186 . 0 0 "[ . 1 . 2]" 1
1189 1 61 LYS HA 1 61 LYS QD . . 3.640 2.496 1.955 3.476 . 0 0 "[ . 1 . 2]" 1
1190 1 13 PRO HG2 1 15 ASP HB2 . . 4.070 2.661 2.392 3.385 . 0 0 "[ . 1 . 2]" 1
1191 1 24 ILE HA 1 24 ILE HG12 . . 3.560 2.657 2.602 2.707 . 0 0 "[ . 1 . 2]" 1
1192 1 36 ILE HA 1 36 ILE MG . . 3.450 2.116 1.944 2.208 . 0 0 "[ . 1 . 2]" 1
1193 1 7 LEU MD2 1 72 TYR QD . . 4.310 3.364 3.235 3.510 . 0 0 "[ . 1 . 2]" 1
1194 1 7 LEU MD2 1 55 ILE H . . 4.510 3.599 3.485 3.743 . 0 0 "[ . 1 . 2]" 1
1195 1 7 LEU MD2 1 71 VAL H . . 5.500 5.320 5.115 5.505 0.005 14 0 "[ . 1 . 2]" 1
1196 1 7 LEU MD2 1 72 TYR H . . 5.500 5.053 4.926 5.348 . 0 0 "[ . 1 . 2]" 1
1197 1 3 SER H 1 72 TYR HB2 . . 4.400 4.371 4.237 4.432 0.032 18 0 "[ . 1 . 2]" 1
1198 1 25 PHE HB3 1 28 PHE QD . . 4.780 3.038 2.990 3.104 . 0 0 "[ . 1 . 2]" 1
1199 1 45 PHE HB3 1 47 GLU HB2 . . 4.530 3.774 3.714 3.826 . 0 0 "[ . 1 . 2]" 1
1200 1 14 LEU HA 1 16 VAL MG1 . . 4.410 3.151 3.130 3.171 . 0 0 "[ . 1 . 2]" 1
1201 1 13 PRO HA 1 16 VAL MG1 . . 4.910 4.374 4.300 4.435 . 0 0 "[ . 1 . 2]" 1
1202 1 9 VAL HA 1 9 VAL MG2 . . 3.690 2.588 2.541 2.632 . 0 0 "[ . 1 . 2]" 1
1203 1 55 ILE HG12 1 70 VAL HB . . 4.780 4.413 4.173 4.673 . 0 0 "[ . 1 . 2]" 1
1204 1 9 VAL HA 1 9 VAL MG1 . . 3.330 2.078 2.051 2.101 . 0 0 "[ . 1 . 2]" 1
1205 1 25 PHE HA 1 28 PHE QD . . 3.470 1.824 1.803 1.835 . 0 0 "[ . 1 . 2]" 1
1206 1 24 ILE HA 1 24 ILE MD . . 4.680 3.842 3.812 3.864 . 0 0 "[ . 1 . 2]" 1
1207 1 24 ILE HA 1 27 PRO QG . . 5.070 4.114 4.041 4.164 . 0 0 "[ . 1 . 2]" 1
1208 1 24 ILE HA 1 24 ILE HG13 . . 3.680 2.699 2.645 2.757 . 0 0 "[ . 1 . 2]" 1
1209 1 58 VAL HA 1 61 LYS HB2 . . 4.750 3.436 3.248 3.862 . 0 0 "[ . 1 . 2]" 1
1210 1 9 VAL HA 1 70 VAL MG1 . . 4.310 2.888 2.749 3.063 . 0 0 "[ . 1 . 2]" 1
1211 1 2 LEU MD1 1 3 SER HA . . 3.830 3.305 3.187 3.426 . 0 0 "[ . 1 . 2]" 1
1212 1 74 LYS HA 1 74 LYS HG3 . . 3.670 3.458 2.530 4.219 0.549 13 1 "[ . 1 + . 2]" 1
1213 1 7 LEU HA 1 7 LEU MD1 . . 4.240 3.935 3.849 4.009 . 0 0 "[ . 1 . 2]" 1
1214 1 20 GLU HB2 1 21 LEU QD . . 4.170 3.388 3.162 4.387 0.217 19 0 "[ . 1 . 2]" 1
1215 1 46 GLU H 1 47 GLU QG . . 4.990 4.784 4.657 4.885 . 0 0 "[ . 1 . 2]" 1
1216 1 35 LYS QB 1 36 ILE H . . 4.200 3.089 3.005 3.219 . 0 0 "[ . 1 . 2]" 1
1217 1 70 VAL H 1 70 VAL MG2 . . 4.000 2.752 2.648 2.822 . 0 0 "[ . 1 . 2]" 1
1218 1 17 GLN HA 1 36 ILE HG13 . . 4.810 2.877 2.188 5.060 0.250 12 0 "[ . 1 . 2]" 1
1219 1 22 ASN HB2 1 23 GLU HA . . 5.400 4.708 4.633 4.848 . 0 0 "[ . 1 . 2]" 1
1220 1 22 ASN HB3 1 23 GLU HA . . 5.500 4.107 3.994 4.172 . 0 0 "[ . 1 . 2]" 1
1221 1 25 PHE HZ 1 70 VAL HB . . 4.950 4.534 4.284 4.959 0.009 15 0 "[ . 1 . 2]" 1
1222 1 37 LEU HB2 1 40 PHE HZ . . 4.840 4.636 4.500 4.807 . 0 0 "[ . 1 . 2]" 1
1223 1 25 PHE HZ 1 70 VAL MG1 . . 4.530 2.732 2.335 3.059 . 0 0 "[ . 1 . 2]" 1
1224 1 9 VAL MG1 1 25 PHE QE . . 3.190 3.059 2.900 3.203 0.013 14 0 "[ . 1 . 2]" 1
1225 1 9 VAL HB 1 12 PHE QD . . 4.450 4.174 4.085 4.266 . 0 0 "[ . 1 . 2]" 1
1226 1 28 PHE HZ 1 61 LYS QD . . 5.500 5.031 4.493 5.410 . 0 0 "[ . 1 . 2]" 1
1227 1 12 PHE HB3 1 63 PHE QD . . 4.510 4.377 4.049 4.518 0.008 1 0 "[ . 1 . 2]" 1
1228 1 25 PHE HZ 1 58 VAL HB . . 4.310 3.675 3.520 3.802 . 0 0 "[ . 1 . 2]" 1
1229 1 29 GLY HA2 1 45 PHE QE . . 5.290 4.380 4.292 4.573 . 0 0 "[ . 1 . 2]" 1
1230 1 28 PHE HA 1 45 PHE QE . . 5.170 5.153 5.046 5.278 0.108 19 0 "[ . 1 . 2]" 1
1231 1 39 GLY HA3 1 40 PHE HZ . . 4.690 4.671 4.511 4.723 0.033 8 0 "[ . 1 . 2]" 1
1232 1 9 VAL HA 1 25 PHE QE . . 5.500 5.447 5.289 5.573 0.073 14 0 "[ . 1 . 2]" 1
1233 1 25 PHE HA 1 28 PHE HZ . . 5.110 5.135 5.037 5.176 0.066 3 0 "[ . 1 . 2]" 1
1234 1 12 PHE HA 1 63 PHE QD . . 5.160 4.530 4.269 4.827 . 0 0 "[ . 1 . 2]" 1
1235 1 28 PHE QD 1 45 PHE QE . . 3.640 3.674 3.599 3.726 0.086 12 0 "[ . 1 . 2]" 1
1236 1 25 PHE QD 1 45 PHE QE . . 2.600 2.037 1.985 2.215 . 0 0 "[ . 1 . 2]" 1
1237 1 42 PHE HA 1 42 PHE QD . . 3.130 2.902 2.642 3.111 . 0 0 "[ . 1 . 2]" 1
1238 1 8 PHE HA 1 42 PHE HA . . 3.600 2.415 2.262 2.506 . 0 0 "[ . 1 . 2]" 1
1239 1 8 PHE HB3 1 42 PHE QE . . 4.870 4.447 3.856 4.884 0.014 19 0 "[ . 1 . 2]" 1
1240 1 8 PHE QE 1 40 PHE HB2 . . 3.670 2.472 2.156 3.199 . 0 0 "[ . 1 . 2]" 1
1241 1 28 PHE HA 1 28 PHE QD . . 3.160 1.919 1.883 1.950 . 0 0 "[ . 1 . 2]" 1
1242 1 37 LEU HA 1 40 PHE QD . . 5.280 4.861 4.815 4.930 . 0 0 "[ . 1 . 2]" 1
1243 1 8 PHE QD 1 70 VAL HA . . 5.500 4.505 4.246 4.867 . 0 0 "[ . 1 . 2]" 1
1244 1 21 LEU HB3 1 25 PHE QD . . 4.100 3.621 3.333 3.853 . 0 0 "[ . 1 . 2]" 1
1245 1 44 GLU HA 1 45 PHE QD . . 4.890 4.633 4.379 4.727 . 0 0 "[ . 1 . 2]" 1
1246 1 7 LEU HA 1 72 TYR QD . . 4.760 4.267 4.145 4.430 . 0 0 "[ . 1 . 2]" 1
1247 1 42 PHE HA 1 43 VAL QG . . 4.330 3.479 3.403 3.556 . 0 0 "[ . 1 . 2]" 1
1248 1 55 ILE MD 1 72 TYR QE . . 3.190 2.598 2.567 2.676 . 0 0 "[ . 1 . 2]" 1
1249 1 12 PHE QE 1 21 LEU QD . . 3.350 2.804 2.549 2.979 . 0 0 "[ . 1 . 2]" 1
1250 1 12 PHE QE 1 68 LEU MD2 . . 3.440 2.037 1.944 2.241 . 0 0 "[ . 1 . 2]" 1
1251 1 12 PHE QD 1 68 LEU MD2 . . 3.500 3.230 3.151 3.304 . 0 0 "[ . 1 . 2]" 1
1252 1 55 ILE MD 1 72 TYR QD . . 3.450 2.565 2.508 2.651 . 0 0 "[ . 1 . 2]" 1
1253 1 43 VAL QG 1 45 PHE QD . . 3.930 3.123 2.949 3.356 . 0 0 "[ . 1 . 2]" 1
1254 1 21 LEU QD 1 25 PHE QE . . 3.940 2.844 2.549 3.528 . 0 0 "[ . 1 . 2]" 1
1255 1 24 ILE MG 1 25 PHE QE . . 4.220 2.840 2.622 2.990 . 0 0 "[ . 1 . 2]" 1
1256 1 25 PHE QE 1 43 VAL QG . . 4.360 2.849 2.350 3.290 . 0 0 "[ . 1 . 2]" 1
1257 1 63 PHE QD 1 68 LEU MD2 . . 3.770 3.211 2.702 3.475 . 0 0 "[ . 1 . 2]" 1
1258 1 43 VAL QG 1 45 PHE QE . . 3.560 2.872 2.555 3.103 . 0 0 "[ . 1 . 2]" 1
1259 1 24 ILE MG 1 25 PHE QD . . 3.600 2.606 2.406 2.775 . 0 0 "[ . 1 . 2]" 1
1260 1 25 PHE QD 1 43 VAL QG . . 3.290 2.674 2.406 2.870 . 0 0 "[ . 1 . 2]" 1
1261 1 43 VAL QG 1 45 PHE HZ . . 4.040 3.649 3.451 3.763 . 0 0 "[ . 1 . 2]" 1
1262 1 37 LEU HB2 1 40 PHE QE . . 4.070 2.347 2.197 2.676 . 0 0 "[ . 1 . 2]" 1
1263 1 7 LEU MD2 1 45 PHE QE . . 4.550 4.252 4.131 4.353 . 0 0 "[ . 1 . 2]" 1
1264 1 7 LEU MD2 1 45 PHE QD . . 3.160 3.148 3.022 3.220 0.060 3 0 "[ . 1 . 2]" 1
1265 1 7 LEU MD2 1 72 TYR QE . . 3.650 3.300 3.151 3.470 . 0 0 "[ . 1 . 2]" 1
1266 1 12 PHE QE 1 24 ILE MD . . 3.440 3.189 2.859 3.306 . 0 0 "[ . 1 . 2]" 1
1267 1 9 VAL MG1 1 12 PHE QE . . 3.040 2.328 2.162 2.473 . 0 0 "[ . 1 . 2]" 1
1268 1 12 PHE QE 1 41 ALA MB . . 3.210 1.943 1.900 2.010 . 0 0 "[ . 1 . 2]" 1
1269 1 9 VAL MG2 1 12 PHE QE . . 4.800 3.239 3.118 3.324 . 0 0 "[ . 1 . 2]" 1
1270 1 12 PHE QE 1 68 LEU MD1 . . 3.620 2.430 2.352 2.504 . 0 0 "[ . 1 . 2]" 1
1271 1 12 PHE QD 1 16 VAL MG1 . . 4.880 4.952 4.925 4.970 0.090 13 0 "[ . 1 . 2]" 1
1272 1 12 PHE QD 1 68 LEU MD1 . . 4.300 4.333 4.314 4.353 0.053 19 0 "[ . 1 . 2]" 1
1273 1 12 PHE QD 1 24 ILE MD . . 4.440 4.452 4.150 4.549 0.109 18 0 "[ . 1 . 2]" 1
1274 1 24 ILE MD 1 63 PHE QE . . 4.610 2.506 1.951 3.473 . 0 0 "[ . 1 . 2]" 1
1275 1 12 PHE QD 1 16 VAL MG2 . . 4.310 2.839 2.726 2.926 . 0 0 "[ . 1 . 2]" 1
1276 1 12 PHE QD 1 41 ALA MB . . 3.560 2.552 2.481 2.616 . 0 0 "[ . 1 . 2]" 1
1277 1 63 PHE QE 1 64 ALA MB . . 4.420 2.990 2.725 3.343 . 0 0 "[ . 1 . 2]" 1
1278 1 63 PHE HZ 1 64 ALA MB . . 4.960 4.757 4.270 4.990 0.030 19 0 "[ . 1 . 2]" 1
1279 1 48 ALA MB 1 72 TYR QE . . 5.500 4.605 4.398 4.859 . 0 0 "[ . 1 . 2]" 1
1280 1 55 ILE HG13 1 72 TYR QE . . 5.500 4.985 4.911 5.026 . 0 0 "[ . 1 . 2]" 1
1281 1 52 ALA MB 1 72 TYR QE . . 4.400 2.773 2.376 3.113 . 0 0 "[ . 1 . 2]" 1
1282 1 55 ILE HB 1 72 TYR QE . . 5.410 4.430 4.309 4.603 . 0 0 "[ . 1 . 2]" 1
1283 1 37 LEU HG 1 40 PHE QD . . 4.130 3.854 3.668 3.942 . 0 0 "[ . 1 . 2]" 1
1284 1 8 PHE QD 1 71 VAL QG . . 3.460 2.025 1.893 2.526 . 0 0 "[ . 1 . 2]" 1
1285 1 37 LEU QD 1 40 PHE QD . . 3.240 2.293 1.970 2.615 . 0 0 "[ . 1 . 2]" 1
1286 1 37 LEU HB2 1 40 PHE QD . . 4.220 1.980 1.952 2.002 . 0 0 "[ . 1 . 2]" 1
1287 1 24 ILE HB 1 25 PHE QE . . 4.090 3.414 3.322 3.544 . 0 0 "[ . 1 . 2]" 1
1288 1 37 LEU HG 1 42 PHE QD . . 4.380 3.887 3.345 4.154 . 0 0 "[ . 1 . 2]" 1
1289 1 35 LYS QG 1 42 PHE QD . . 4.650 3.707 3.310 4.440 . 0 0 "[ . 1 . 2]" 1
1290 1 37 LEU HG 1 40 PHE QE . . 4.460 4.238 4.109 4.407 . 0 0 "[ . 1 . 2]" 1
1291 1 24 ILE HB 1 25 PHE QD . . 3.500 2.276 2.199 2.376 . 0 0 "[ . 1 . 2]" 1
1292 1 31 MET HG2 1 45 PHE QE . . 5.500 3.266 2.676 3.994 . 0 0 "[ . 1 . 2]" 1
1293 1 2 LEU HB3 1 72 TYR QD . . 4.150 3.836 3.469 4.013 . 0 0 "[ . 1 . 2]" 1
1294 1 31 MET HG2 1 45 PHE QD . . 4.620 4.151 3.443 4.965 0.345 19 0 "[ . 1 . 2]" 1
1295 1 45 PHE QD 1 55 ILE HG13 . . 5.500 5.065 4.986 5.169 . 0 0 "[ . 1 . 2]" 1
1296 1 55 ILE HG13 1 72 TYR QD . . 5.500 5.061 4.969 5.124 . 0 0 "[ . 1 . 2]" 1
1297 1 37 LEU HB3 1 40 PHE QE . . 4.470 2.687 2.649 2.773 . 0 0 "[ . 1 . 2]" 1
1298 1 25 PHE QD 1 54 ALA MB . . 3.110 2.472 2.340 2.624 . 0 0 "[ . 1 . 2]" 1
1299 1 25 PHE QD 1 43 VAL HB . . 4.340 4.067 3.625 4.405 0.065 11 0 "[ . 1 . 2]" 1
1300 1 28 PHE QD 1 54 ALA MB . . 3.930 2.618 2.537 2.713 . 0 0 "[ . 1 . 2]" 1
1301 1 28 PHE QE 1 54 ALA MB . . 4.080 3.317 3.250 3.436 . 0 0 "[ . 1 . 2]" 1
1302 1 45 PHE HZ 1 54 ALA MB . . 4.370 3.111 3.007 3.238 . 0 0 "[ . 1 . 2]" 1
1303 1 28 PHE QE 1 58 VAL MG2 . . 4.710 1.891 1.871 1.915 . 0 0 "[ . 1 . 2]" 1
1304 1 7 LEU MD1 1 25 PHE QD . . 3.750 2.546 2.303 2.709 . 0 0 "[ . 1 . 2]" 1
1305 1 25 PHE QD 1 58 VAL MG1 . . 4.580 4.017 3.939 4.105 . 0 0 "[ . 1 . 2]" 1
1306 1 24 ILE MD 1 25 PHE QD . . 4.050 3.636 3.577 3.790 . 0 0 "[ . 1 . 2]" 1
1307 1 25 PHE QD 1 68 LEU MD1 . . 5.500 5.472 5.334 5.533 0.033 9 0 "[ . 1 . 2]" 1
1308 1 25 PHE QD 1 70 VAL MG1 . . 5.150 4.394 4.261 4.509 . 0 0 "[ . 1 . 2]" 1
1309 1 37 LEU QD 1 42 PHE QE . . 3.400 2.177 1.929 2.792 . 0 0 "[ . 1 . 2]" 1
1310 1 24 ILE HG13 1 25 PHE QD . . 5.250 4.810 4.723 4.922 . 0 0 "[ . 1 . 2]" 1
1311 1 25 PHE QD 1 70 VAL MG2 . . 5.500 4.757 4.683 4.829 . 0 0 "[ . 1 . 2]" 1
1312 1 24 ILE HG12 1 63 PHE QD . . 5.500 3.859 3.349 4.797 . 0 0 "[ . 1 . 2]" 1
1313 1 7 LEU MD1 1 45 PHE QE . . 2.890 1.989 1.905 2.165 . 0 0 "[ . 1 . 2]" 1
1314 1 63 PHE QD 1 68 LEU MD1 . . 3.690 3.177 2.875 3.574 . 0 0 "[ . 1 . 2]" 1
1315 1 28 PHE HZ 1 58 VAL MG1 . . 4.930 5.136 4.964 5.254 0.324 3 0 "[ . 1 . 2]" 1
1316 1 37 LEU QD 1 40 PHE HZ . . 4.130 3.876 3.760 4.018 . 0 0 "[ . 1 . 2]" 1
1317 1 37 LEU QD 1 40 PHE QE . . 2.910 1.976 1.942 2.058 . 0 0 "[ . 1 . 2]" 1
1318 1 37 LEU QD 1 42 PHE QD . . 3.310 2.995 2.696 3.306 . 0 0 "[ . 1 . 2]" 1
1319 1 9 VAL MG2 1 25 PHE QD . . 5.400 4.307 4.159 4.387 . 0 0 "[ . 1 . 2]" 1
1320 1 25 PHE QE 1 54 ALA MB . . 4.380 2.795 2.677 2.935 . 0 0 "[ . 1 . 2]" 1
1321 1 45 PHE QD 1 54 ALA MB . . 3.920 3.208 3.137 3.323 . 0 0 "[ . 1 . 2]" 1
1322 1 25 PHE QE 1 70 VAL MG2 . . 3.460 3.011 2.935 3.120 . 0 0 "[ . 1 . 2]" 1
1323 1 25 PHE QE 1 68 LEU MD1 . . 4.300 4.115 4.003 4.205 . 0 0 "[ . 1 . 2]" 1
1324 1 24 ILE MD 1 25 PHE QE . . 4.280 3.409 3.257 3.535 . 0 0 "[ . 1 . 2]" 1
1325 1 25 PHE QE 1 58 VAL MG1 . . 3.300 2.813 2.685 2.896 . 0 0 "[ . 1 . 2]" 1
1326 1 7 LEU MD1 1 25 PHE QE . . 3.270 2.327 1.993 2.475 . 0 0 "[ . 1 . 2]" 1
1327 1 25 PHE QE 1 58 VAL MG2 . . 3.590 2.643 2.519 2.745 . 0 0 "[ . 1 . 2]" 1
1328 1 7 LEU MD1 1 45 PHE QD . . 3.430 1.996 1.945 2.162 . 0 0 "[ . 1 . 2]" 1
1329 1 2 LEU MD2 1 72 TYR QD . . 3.790 2.880 2.481 3.238 . 0 0 "[ . 1 . 2]" 1
1330 1 9 VAL MG2 1 25 PHE QE . . 4.560 2.877 2.710 2.979 . 0 0 "[ . 1 . 2]" 1
1331 1 25 PHE QE 1 70 VAL MG1 . . 4.720 2.353 2.178 2.549 . 0 0 "[ . 1 . 2]" 1
1332 1 45 PHE QE 1 54 ALA MB . . 3.210 2.115 2.083 2.226 . 0 0 "[ . 1 . 2]" 1
1333 1 37 LEU HB3 1 40 PHE QD . . 5.490 3.587 3.387 3.665 . 0 0 "[ . 1 . 2]" 1
1334 1 13 PRO HG2 1 63 PHE QE . . 5.500 3.223 2.577 3.547 . 0 0 "[ . 1 . 2]" 1
1335 1 25 PHE QE 1 58 VAL HB . . 4.280 3.638 3.470 3.786 . 0 0 "[ . 1 . 2]" 1
1336 1 7 LEU HG 1 45 PHE QD . . 4.010 2.950 2.785 3.171 . 0 0 "[ . 1 . 2]" 1
1337 1 45 PHE QD 1 51 ALA MB . . 3.050 2.433 2.315 2.533 . 0 0 "[ . 1 . 2]" 1
1338 1 2 LEU HB2 1 72 TYR QD . . 4.700 3.181 3.002 3.308 . 0 0 "[ . 1 . 2]" 1
1339 1 7 LEU HB2 1 25 PHE QE . . 4.490 3.192 2.896 3.388 . 0 0 "[ . 1 . 2]" 1
1340 1 7 LEU HG 1 25 PHE QE . . 4.780 4.547 4.279 4.741 . 0 0 "[ . 1 . 2]" 1
1341 1 7 LEU HB2 1 45 PHE QE . . 5.310 4.782 4.631 4.952 . 0 0 "[ . 1 . 2]" 1
1342 1 45 PHE QE 1 51 ALA MB . . 5.500 4.361 4.269 4.447 . 0 0 "[ . 1 . 2]" 1
1343 1 7 LEU HB2 1 25 PHE QD . . 4.570 4.512 4.161 4.625 0.055 5 0 "[ . 1 . 2]" 1
1344 1 7 LEU HG 1 25 PHE QD . . 5.060 4.755 4.529 4.908 . 0 0 "[ . 1 . 2]" 1
1345 1 7 LEU HG 1 45 PHE QE . . 4.790 4.002 3.827 4.112 . 0 0 "[ . 1 . 2]" 1
1346 1 31 MET QB 1 45 PHE QE . . 5.130 3.770 2.708 4.389 . 0 0 "[ . 1 . 2]" 1
1347 1 28 PHE HZ 1 57 GLU HB2 . . 3.380 2.385 2.319 2.482 . 0 0 "[ . 1 . 2]" 1
1348 1 35 LYS QB 1 42 PHE QD . . 3.970 2.169 1.934 2.672 . 0 0 "[ . 1 . 2]" 1
1349 1 13 PRO HG2 1 63 PHE QD . . 4.770 4.524 4.245 4.767 . 0 0 "[ . 1 . 2]" 1
1350 1 28 PHE HZ 1 57 GLU HB3 . . 3.720 1.992 1.971 2.029 . 0 0 "[ . 1 . 2]" 1
1351 1 28 PHE HZ 1 57 GLU HG2 . . 4.880 4.464 4.382 4.594 . 0 0 "[ . 1 . 2]" 1
1352 1 25 PHE QD 1 58 VAL HB . . 5.500 5.116 4.982 5.225 . 0 0 "[ . 1 . 2]" 1
1353 1 9 VAL HB 1 12 PHE QE . . 3.320 2.078 2.001 2.131 . 0 0 "[ . 1 . 2]" 1
1354 1 51 ALA MB 1 72 TYR QE . . 3.140 2.932 2.883 3.036 . 0 0 "[ . 1 . 2]" 1
1355 1 31 MET HG3 1 45 PHE QD . . 4.880 3.694 2.983 4.948 0.068 6 0 "[ . 1 . 2]" 1
1356 1 31 MET HG3 1 45 PHE QE . . 4.010 2.940 2.118 4.714 0.704 1 6 "[+* .- * * . *2]" 1
1357 1 28 PHE HZ 1 54 ALA HA . . 4.230 3.549 3.493 3.646 . 0 0 "[ . 1 . 2]" 1
1358 1 28 PHE HZ 1 57 GLU HG3 . . 4.130 3.441 3.310 3.624 . 0 0 "[ . 1 . 2]" 1
1359 1 28 PHE QD 1 57 GLU HG3 . . 4.640 3.766 3.637 3.881 . 0 0 "[ . 1 . 2]" 1
1360 1 28 PHE QD 1 54 ALA HA . . 3.700 3.730 3.688 3.764 0.064 7 0 "[ . 1 . 2]" 1
1361 1 25 PHE HB2 1 45 PHE HZ . . 4.080 3.650 3.614 3.760 . 0 0 "[ . 1 . 2]" 1
1362 1 4 ASN QB 1 72 TYR QE . . 5.500 5.098 5.013 5.239 . 0 0 "[ . 1 . 2]" 1
1363 1 12 PHE QE 1 63 PHE HB3 . . 5.500 3.520 3.235 3.791 . 0 0 "[ . 1 . 2]" 1
1364 1 45 PHE QD 1 50 SER QB . . 4.170 2.967 2.840 3.154 . 0 0 "[ . 1 . 2]" 1
1365 1 28 PHE QD 1 57 GLU HB3 . . 5.500 4.886 4.738 5.001 . 0 0 "[ . 1 . 2]" 1
1366 1 8 PHE QE 1 40 PHE HB3 . . 3.660 2.093 1.974 2.557 . 0 0 "[ . 1 . 2]" 1
1367 1 28 PHE HB2 1 45 PHE QE . . 3.990 3.045 2.953 3.165 . 0 0 "[ . 1 . 2]" 1
1368 1 8 PHE HB2 1 42 PHE QE . . 3.920 2.825 2.243 3.271 . 0 0 "[ . 1 . 2]" 1
1369 1 28 PHE HB2 1 45 PHE HZ . . 4.860 2.280 2.201 2.395 . 0 0 "[ . 1 . 2]" 1
1370 1 28 PHE HB3 1 45 PHE HZ . . 4.670 3.099 3.008 3.229 . 0 0 "[ . 1 . 2]" 1
1371 1 25 PHE HB3 1 45 PHE HZ . . 3.870 1.985 1.957 2.080 . 0 0 "[ . 1 . 2]" 1
1372 1 45 PHE HZ 1 51 ALA HA . . 5.500 5.278 5.154 5.370 . 0 0 "[ . 1 . 2]" 1
1373 1 13 PRO QD 1 63 PHE QD . . 4.190 3.170 2.966 3.363 . 0 0 "[ . 1 . 2]" 1
1374 1 63 PHE QD 1 64 ALA HA . . 4.840 4.224 3.673 4.795 . 0 0 "[ . 1 . 2]" 1
1375 1 45 PHE QE 1 51 ALA HA . . 3.770 3.331 3.249 3.415 . 0 0 "[ . 1 . 2]" 1
1376 1 25 PHE HB3 1 45 PHE QE . . 4.250 3.046 2.971 3.108 . 0 0 "[ . 1 . 2]" 1
1377 1 42 PHE QD 1 73 SER QB . . 4.080 2.749 2.532 3.042 . 0 0 "[ . 1 . 2]" 1
1378 1 28 PHE HB3 1 45 PHE QE . . 4.100 3.477 3.407 3.544 . 0 0 "[ . 1 . 2]" 1
1379 1 8 PHE HB2 1 42 PHE QD . . 4.000 2.650 2.056 3.186 . 0 0 "[ . 1 . 2]" 1
1380 1 35 LYS QE 1 42 PHE QD . . 4.580 4.299 3.391 4.590 0.010 19 0 "[ . 1 . 2]" 1
1381 1 51 ALA HA 1 72 TYR QE . . 5.500 5.542 5.506 5.575 0.075 6 0 "[ . 1 . 2]" 1
1382 1 3 SER HB3 1 72 TYR QE . . 5.500 4.613 4.439 4.819 . 0 0 "[ . 1 . 2]" 1
1383 1 52 ALA HA 1 72 TYR QE . . 4.680 2.905 2.665 3.182 . 0 0 "[ . 1 . 2]" 1
1384 1 12 PHE QD 1 13 PRO QD . . 4.290 2.620 2.547 2.742 . 0 0 "[ . 1 . 2]" 1
1385 1 13 PRO QD 1 63 PHE QE . . 4.770 2.690 2.217 3.191 . 0 0 "[ . 1 . 2]" 1
1386 1 29 GLY HA2 1 45 PHE QD . . 5.500 4.788 4.664 4.856 . 0 0 "[ . 1 . 2]" 1
1387 1 45 PHE QD 1 50 SER HA . . 5.500 5.140 5.044 5.209 . 0 0 "[ . 1 . 2]" 1
1388 1 52 ALA HA 1 72 TYR QD . . 5.500 4.425 4.171 4.655 . 0 0 "[ . 1 . 2]" 1
1389 1 3 SER HB3 1 72 TYR QD . . 5.040 4.258 4.169 4.354 . 0 0 "[ . 1 . 2]" 1
1390 1 25 PHE QE 1 58 VAL HA . . 5.500 5.527 5.459 5.572 0.072 18 0 "[ . 1 . 2]" 1
1391 1 3 SER HB2 1 72 TYR QD . . 5.500 3.185 3.102 3.261 . 0 0 "[ . 1 . 2]" 1
1392 1 45 PHE QD 1 51 ALA HA . . 3.190 2.023 1.975 2.107 . 0 0 "[ . 1 . 2]" 1
1393 1 28 PHE HZ 1 58 VAL HA . . 5.300 4.147 3.873 4.252 . 0 0 "[ . 1 . 2]" 1
1394 1 39 GLY HA3 1 40 PHE QE . . 5.200 3.988 3.620 4.078 . 0 0 "[ . 1 . 2]" 1
1395 1 26 GLY HA2 1 45 PHE QE . . 4.500 4.517 4.274 4.591 0.091 16 0 "[ . 1 . 2]" 1
1396 1 42 PHE QE 1 73 SER QB . . 4.310 3.816 3.094 4.231 . 0 0 "[ . 1 . 2]" 1
1397 1 21 LEU HA 1 25 PHE QD . . 3.750 2.505 2.343 2.688 . 0 0 "[ . 1 . 2]" 1
1398 1 28 PHE HZ 1 57 GLU HA . . 4.330 4.381 4.359 4.392 0.062 16 0 "[ . 1 . 2]" 1
1399 1 63 PHE HA 1 63 PHE QD . . 3.380 2.940 2.428 3.108 . 0 0 "[ . 1 . 2]" 1
1400 1 42 PHE QE 1 73 SER HA . . 5.090 4.786 4.546 5.018 . 0 0 "[ . 1 . 2]" 1
1401 1 31 MET HA 1 45 PHE QD . . 4.210 2.483 2.205 2.769 . 0 0 "[ . 1 . 2]" 1
1402 1 4 ASN HA 1 72 TYR QD . . 5.150 5.191 5.135 5.217 0.067 1 0 "[ . 1 . 2]" 1
1403 1 8 PHE QE 1 10 ARG HA . . 5.370 3.789 3.329 4.038 . 0 0 "[ . 1 . 2]" 1
1404 1 8 PHE QD 1 73 SER HA . . 5.500 4.357 4.153 4.567 . 0 0 "[ . 1 . 2]" 1
1405 1 5 THR HA 1 72 TYR QE . . 4.490 3.525 3.286 3.959 . 0 0 "[ . 1 . 2]" 1
1406 1 4 ASN HA 1 72 TYR QE . . 3.740 3.648 3.598 3.681 . 0 0 "[ . 1 . 2]" 1
1407 1 10 ARG HA 1 12 PHE QE . . 5.500 5.396 5.259 5.509 0.009 19 0 "[ . 1 . 2]" 1
1408 1 12 PHE QE 1 68 LEU HA . . 5.500 5.341 5.106 5.493 . 0 0 "[ . 1 . 2]" 1
1409 1 12 PHE HA 1 12 PHE QE . . 4.890 4.666 4.641 4.705 . 0 0 "[ . 1 . 2]" 1
1410 1 12 PHE QE 1 41 ALA HA . . 5.500 4.689 4.633 4.783 . 0 0 "[ . 1 . 2]" 1
1411 1 9 VAL HA 1 12 PHE QE . . 4.930 4.731 4.621 4.799 . 0 0 "[ . 1 . 2]" 1
1412 1 8 PHE QE 1 40 PHE HA . . 3.910 3.168 2.835 3.514 . 0 0 "[ . 1 . 2]" 1
1413 1 40 PHE HA 1 40 PHE QD . . 4.400 3.648 3.603 3.656 . 0 0 "[ . 1 . 2]" 1
1414 1 8 PHE HA 1 8 PHE QD . . 3.420 2.828 2.542 2.996 . 0 0 "[ . 1 . 2]" 1
1415 1 12 PHE HA 1 12 PHE QD . . 3.630 3.045 2.981 3.116 . 0 0 "[ . 1 . 2]" 1
1416 1 8 PHE HA 1 42 PHE QD . . 3.700 2.767 2.223 3.262 . 0 0 "[ . 1 . 2]" 1
1417 1 41 ALA HA 1 42 PHE QD . . 4.100 3.371 2.912 3.828 . 0 0 "[ . 1 . 2]" 1
1418 1 25 PHE HA 1 45 PHE QE . . 4.400 4.393 4.331 4.444 0.044 12 0 "[ . 1 . 2]" 1
1419 1 8 PHE HA 1 42 PHE QE . . 4.920 4.083 3.792 4.335 . 0 0 "[ . 1 . 2]" 1
1420 1 41 ALA HA 1 42 PHE QE . . 5.240 4.264 3.899 4.584 . 0 0 "[ . 1 . 2]" 1
1421 1 8 PHE QD 1 42 PHE HA . . 4.590 4.187 3.990 4.406 . 0 0 "[ . 1 . 2]" 1
1422 1 12 PHE QD 1 63 PHE QD . . 3.620 2.692 2.127 3.040 . 0 0 "[ . 1 . 2]" 1
1423 1 12 PHE QE 1 25 PHE QE . . 4.870 4.388 4.266 4.487 . 0 0 "[ . 1 . 2]" 1
1424 1 28 PHE QD 1 45 PHE HZ . . 3.720 2.705 2.665 2.746 . 0 0 "[ . 1 . 2]" 1
1425 1 42 PHE HA 1 42 PHE QE . . 5.010 4.719 4.628 4.811 . 0 0 "[ . 1 . 2]" 1
1426 1 8 PHE QD 1 42 PHE QD . . 3.590 3.214 2.989 3.595 0.005 15 0 "[ . 1 . 2]" 1
1427 1 40 PHE HA 1 40 PHE QE . . 5.500 5.519 5.482 5.530 0.030 18 0 "[ . 1 . 2]" 1
1428 1 42 PHE QD 1 73 SER HA . . 5.120 4.639 4.447 4.783 . 0 0 "[ . 1 . 2]" 1
1429 1 63 PHE HA 1 63 PHE QE . . 4.890 4.592 4.466 4.655 . 0 0 "[ . 1 . 2]" 1
1430 1 12 PHE QE 1 63 PHE QD . . 3.680 3.453 2.926 3.684 0.004 9 0 "[ . 1 . 2]" 1
stop_
save_
save_distance_constraint_statistics_2
_Distance_constraint_stats_list.Sf_category distance_constraint_statistics
_Distance_constraint_stats_list.Constraint_list_ID 2
_Distance_constraint_stats_list.Constraint_count 48
_Distance_constraint_stats_list.Viol_count 286
_Distance_constraint_stats_list.Viol_total 455.809
_Distance_constraint_stats_list.Viol_max 0.251
_Distance_constraint_stats_list.Viol_rms 0.0522
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0237
_Distance_constraint_stats_list.Viol_average_violations_only 0.0797
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details .
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 7 LEU 0.011 0.011 14 0 "[ . 1 . 2]"
1 8 PHE 1.069 0.082 1 0 "[ . 1 . 2]"
1 9 VAL 7.062 0.251 18 0 "[ . 1 . 2]"
1 13 PRO 0.514 0.041 1 0 "[ . 1 . 2]"
1 16 VAL 0.514 0.041 1 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 SER 2.150 0.138 19 0 "[ . 1 . 2]"
1 20 GLU 1.537 0.121 15 0 "[ . 1 . 2]"
1 21 LEU 0.063 0.042 10 0 "[ . 1 . 2]"
1 22 ASN 4.166 0.233 20 0 "[ . 1 . 2]"
1 23 GLU 2.150 0.138 19 0 "[ . 1 . 2]"
1 24 ILE 1.537 0.121 15 0 "[ . 1 . 2]"
1 25 PHE 0.063 0.042 10 0 "[ . 1 . 2]"
1 26 GLY 4.166 0.233 20 0 "[ . 1 . 2]"
1 30 PRO 0.348 0.055 13 0 "[ . 1 . 2]"
1 33 GLU 0.148 0.031 1 0 "[ . 1 . 2]"
1 35 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 LEU 3.657 0.209 17 0 "[ . 1 . 2]"
1 40 PHE 3.657 0.209 17 0 "[ . 1 . 2]"
1 41 ALA 7.062 0.251 18 0 "[ . 1 . 2]"
1 42 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 VAL 0.011 0.011 14 0 "[ . 1 . 2]"
1 44 GLU 0.148 0.031 1 0 "[ . 1 . 2]"
1 46 GLU 0.348 0.055 13 0 "[ . 1 . 2]"
1 48 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 GLU 0.835 0.079 9 0 "[ . 1 . 2]"
1 50 SER 0.079 0.034 9 0 "[ . 1 . 2]"
1 51 ALA 0.946 0.074 6 0 "[ . 1 . 2]"
1 52 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 53 LYS 1.041 0.079 9 0 "[ . 1 . 2]"
1 54 ALA 0.079 0.034 9 0 "[ . 1 . 2]"
1 55 ILE 0.946 0.074 6 0 "[ . 1 . 2]"
1 57 GLU 0.206 0.039 1 0 "[ . 1 . 2]"
1 58 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 VAL 1.069 0.082 1 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 7 LEU H 1 43 VAL O . . 2.000 1.875 1.814 1.924 . 0 0 "[ . 1 . 2]" 2
2 1 7 LEU N 1 43 VAL O . . 3.000 2.753 2.703 2.849 . 0 0 "[ . 1 . 2]" 2
3 1 8 PHE H 1 71 VAL O . . 2.000 1.784 1.759 1.800 . 0 0 "[ . 1 . 2]" 2
4 1 8 PHE N 1 71 VAL O . . 3.000 2.700 2.673 2.718 . 0 0 "[ . 1 . 2]" 2
5 1 13 PRO O 1 16 VAL H . . 2.000 2.025 1.991 2.041 0.041 1 0 "[ . 1 . 2]" 2
6 1 13 PRO O 1 16 VAL N . . 3.000 2.702 2.676 2.722 . 0 0 "[ . 1 . 2]" 2
7 1 18 GLU O 1 22 ASN H . . 2.000 1.850 1.794 1.921 . 0 0 "[ . 1 . 2]" 2
8 1 18 GLU O 1 22 ASN N . . 3.000 2.742 2.630 2.850 . 0 0 "[ . 1 . 2]" 2
9 1 19 SER O 1 23 GLU H . . 2.000 2.089 2.036 2.138 0.138 19 0 "[ . 1 . 2]" 2
10 1 19 SER O 1 23 GLU N . . 3.000 3.003 2.873 3.066 0.066 15 0 "[ . 1 . 2]" 2
11 1 20 GLU O 1 24 ILE H . . 2.000 2.077 2.051 2.121 0.121 15 0 "[ . 1 . 2]" 2
12 1 20 GLU O 1 24 ILE N . . 3.000 2.771 2.739 2.836 . 0 0 "[ . 1 . 2]" 2
13 1 21 LEU O 1 25 PHE H . . 2.000 1.853 1.794 2.042 0.042 10 0 "[ . 1 . 2]" 2
14 1 21 LEU O 1 25 PHE N . . 3.000 2.760 2.692 2.946 . 0 0 "[ . 1 . 2]" 2
15 1 22 ASN O 1 26 GLY H . . 2.000 2.208 2.160 2.233 0.233 20 0 "[ . 1 . 2]" 2
16 1 22 ASN O 1 26 GLY N . . 3.000 2.687 2.663 2.701 . 0 0 "[ . 1 . 2]" 2
17 1 33 GLU H 1 44 GLU O . . 2.000 1.934 1.851 2.005 0.005 6 0 "[ . 1 . 2]" 2
18 1 33 GLU N 1 44 GLU O . . 3.000 2.840 2.763 2.958 . 0 0 "[ . 1 . 2]" 2
19 1 35 LYS H 1 42 PHE O . . 2.000 1.806 1.773 1.897 . 0 0 "[ . 1 . 2]" 2
20 1 35 LYS N 1 42 PHE O . . 3.000 2.735 2.668 2.808 . 0 0 "[ . 1 . 2]" 2
21 1 37 LEU H 1 40 PHE O . . 2.000 2.147 2.120 2.209 0.209 17 0 "[ . 1 . 2]" 2
22 1 37 LEU N 1 40 PHE O . . 3.000 3.022 2.995 3.057 0.057 17 0 "[ . 1 . 2]" 2
23 1 37 LEU O 1 40 PHE H . . 2.000 1.998 1.916 2.037 0.037 14 0 "[ . 1 . 2]" 2
24 1 37 LEU O 1 40 PHE N . . 3.000 2.950 2.876 2.992 . 0 0 "[ . 1 . 2]" 2
25 1 9 VAL O 1 41 ALA H . . 2.000 2.199 2.140 2.251 0.251 18 0 "[ . 1 . 2]" 2
26 1 9 VAL O 1 41 ALA N . . 3.000 3.154 3.103 3.198 0.198 18 0 "[ . 1 . 2]" 2
27 1 35 LYS O 1 42 PHE H . . 2.000 1.807 1.765 1.873 . 0 0 "[ . 1 . 2]" 2
28 1 35 LYS O 1 42 PHE N . . 3.000 2.769 2.710 2.852 . 0 0 "[ . 1 . 2]" 2
29 1 7 LEU O 1 43 VAL H . . 2.000 1.953 1.902 2.011 0.011 14 0 "[ . 1 . 2]" 2
30 1 7 LEU O 1 43 VAL N . . 3.000 2.784 2.726 2.880 . 0 0 "[ . 1 . 2]" 2
31 1 33 GLU O 1 44 GLU H . . 2.000 1.990 1.928 2.031 0.031 1 0 "[ . 1 . 2]" 2
32 1 33 GLU O 1 44 GLU N . . 3.000 2.859 2.792 2.912 . 0 0 "[ . 1 . 2]" 2
33 1 30 PRO O 1 46 GLU H . . 2.000 1.985 1.822 2.055 0.055 13 0 "[ . 1 . 2]" 2
34 1 30 PRO O 1 46 GLU N . . 3.000 2.864 2.729 2.980 . 0 0 "[ . 1 . 2]" 2
35 1 48 ALA O 1 52 ALA H . . 2.000 1.795 1.783 1.807 . 0 0 "[ . 1 . 2]" 2
36 1 48 ALA O 1 52 ALA N . . 3.000 2.773 2.762 2.786 . 0 0 "[ . 1 . 2]" 2
37 1 49 GLU O 1 53 LYS H . . 2.000 2.042 2.023 2.079 0.079 9 0 "[ . 1 . 2]" 2
38 1 49 GLU O 1 53 LYS N . . 3.000 2.915 2.841 2.974 . 0 0 "[ . 1 . 2]" 2
39 1 50 SER O 1 54 ALA H . . 2.000 1.970 1.871 2.034 0.034 9 0 "[ . 1 . 2]" 2
40 1 50 SER O 1 54 ALA N . . 3.000 2.933 2.847 2.999 . 0 0 "[ . 1 . 2]" 2
41 1 51 ALA O 1 55 ILE H . . 2.000 2.047 2.032 2.074 0.074 6 0 "[ . 1 . 2]" 2
42 1 51 ALA O 1 55 ILE N . . 3.000 2.947 2.926 2.968 . 0 0 "[ . 1 . 2]" 2
43 1 53 LYS O 1 57 GLU H . . 2.000 1.979 1.876 2.039 0.039 1 0 "[ . 1 . 2]" 2
44 1 53 LYS O 1 57 GLU N . . 3.000 2.723 2.700 2.762 . 0 0 "[ . 1 . 2]" 2
45 1 54 ALA O 1 58 VAL H . . 2.000 1.899 1.829 1.966 . 0 0 "[ . 1 . 2]" 2
46 1 54 ALA O 1 58 VAL N . . 3.000 2.726 2.710 2.750 . 0 0 "[ . 1 . 2]" 2
47 1 8 PHE O 1 71 VAL H . . 2.000 2.052 1.993 2.082 0.082 1 0 "[ . 1 . 2]" 2
48 1 8 PHE O 1 71 VAL N . . 3.000 2.971 2.877 3.015 0.015 17 0 "[ . 1 . 2]" 2
stop_
save_
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