NMR Restraints Grid
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NMR Restraints Grid |
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Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | in_recoord | stage | program | type | subtype | subsubtype |
|
|
389783 |
1nwb   |
5683 | cing | recoord | 4-filtered-FRED | Wattos | check | violation | distance |
data_1nwb
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 1185
_Distance_constraint_stats_list.Viol_count 1223
_Distance_constraint_stats_list.Viol_total 3073.204
_Distance_constraint_stats_list.Viol_max 0.912
_Distance_constraint_stats_list.Viol_rms 0.0415
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0065
_Distance_constraint_stats_list.Viol_average_violations_only 0.1256
_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 MET 0.000 0.000 . 0 "[ . 1 . 2]"
1 2 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 GLU 0.369 0.190 20 0 "[ . 1 . 2]"
1 4 GLN 0.807 0.173 14 0 "[ . 1 . 2]"
1 5 ALA 0.441 0.124 15 0 "[ . 1 . 2]"
1 6 GLN 1.868 0.570 18 1 "[ . 1 . + 2]"
1 7 GLN 3.069 0.570 18 1 "[ . 1 . + 2]"
1 8 PHE 1.224 0.233 18 0 "[ . 1 . 2]"
1 9 ILE 3.644 0.486 17 0 "[ . 1 . 2]"
1 10 PHE 0.081 0.048 5 0 "[ . 1 . 2]"
1 11 LYS 3.073 0.627 6 1 "[ .+ 1 . 2]"
1 12 VAL 0.383 0.047 14 0 "[ . 1 . 2]"
1 13 THR 0.247 0.041 5 0 "[ . 1 . 2]"
1 14 ASP 1.186 0.143 10 0 "[ . 1 . 2]"
1 15 LYS 17.508 0.696 2 2 "[ + -. 1 . 2]"
1 16 ALA 5.097 0.369 20 0 "[ . 1 . 2]"
1 17 VAL 0.479 0.160 4 0 "[ . 1 . 2]"
1 18 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 19 GLU 1.273 0.153 2 0 "[ . 1 . 2]"
1 20 ILE 1.917 0.242 4 0 "[ . 1 . 2]"
1 21 LYS 1.024 0.254 12 0 "[ . 1 . 2]"
1 22 LYS 5.297 0.433 10 0 "[ . 1 . 2]"
1 23 VAL 2.063 0.372 11 0 "[ . 1 . 2]"
1 24 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 25 GLN 11.904 0.711 17 5 "[-* . * 1 . + *]"
1 26 GLU 10.260 0.577 20 2 "[- . 1 . +]"
1 27 ASN 0.834 0.153 2 0 "[ . 1 . 2]"
1 28 ASN 3.898 0.159 12 0 "[ . 1 . 2]"
1 29 ILE 6.242 0.912 4 2 "[ +.- 1 . 2]"
1 30 GLU 4.630 0.441 12 0 "[ . 1 . 2]"
1 31 ASN 4.496 0.178 16 0 "[ . 1 . 2]"
1 32 PRO 6.353 0.912 4 2 "[ +.- 1 . 2]"
1 33 ILE 2.953 0.519 11 1 "[ . 1+ . 2]"
1 34 LEU 4.302 0.427 14 0 "[ . 1 . 2]"
1 35 ARG 2.796 0.645 16 2 "[ . -1 .+ 2]"
1 36 ILE 0.845 0.264 10 0 "[ . 1 . 2]"
1 37 ARG 4.549 0.607 7 2 "[ . + 1 . - 2]"
1 38 VAL 0.092 0.047 1 0 "[ . 1 . 2]"
1 39 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 41 GLY 0.111 0.075 11 0 "[ . 1 . 2]"
1 42 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 GLY 0.668 0.257 4 0 "[ . 1 . 2]"
1 46 PHE 0.995 0.319 11 0 "[ . 1 . 2]"
1 47 GLN 3.197 0.257 4 0 "[ . 1 . 2]"
1 48 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 49 ALA 0.092 0.047 1 0 "[ . 1 . 2]"
1 50 MET 2.101 0.427 14 0 "[ . 1 . 2]"
1 51 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 PHE 1.246 0.517 13 1 "[ . 1 + . 2]"
1 53 ASP 3.166 0.645 16 3 "[ . *1 - .+ 2]"
1 54 ASP 0.070 0.055 13 0 "[ . 1 . 2]"
1 55 THR 0.594 0.099 13 0 "[ . 1 . 2]"
1 56 VAL 1.437 0.099 13 0 "[ . 1 . 2]"
1 57 GLU 11.797 0.536 9 2 "[ . +1 - 2]"
1 58 GLU 5.708 0.536 9 2 "[ . +1 - 2]"
1 59 GLY 1.558 0.162 20 0 "[ . 1 . 2]"
1 60 ASP 9.463 0.502 20 2 "[ . 1 . -+]"
1 61 HIS 1.170 0.163 20 0 "[ . 1 . 2]"
1 62 VAL 3.462 0.593 1 3 "[+- . 1 *. 2]"
1 63 PHE 1.433 0.395 11 0 "[ . 1 . 2]"
1 64 GLU 1.370 0.644 9 1 "[ . +1 . 2]"
1 65 TYR 0.372 0.077 15 0 "[ . 1 . 2]"
1 66 ASP 2.639 0.210 6 0 "[ . 1 . 2]"
1 67 GLY 1.789 0.138 13 0 "[ . 1 . 2]"
1 68 VAL 1.927 0.441 12 0 "[ . 1 . 2]"
1 69 LYS 6.287 0.687 12 5 "[** . -1 + *. 2]"
1 70 VAL 3.665 0.519 11 1 "[ . 1+ . 2]"
1 71 VAL 0.256 0.196 17 0 "[ . 1 . 2]"
1 72 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PRO 12.714 0.502 20 2 "[ . 1 . -+]"
1 75 PHE 3.793 0.258 19 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 MET 0.797 0.199 20 0 "[ . 1 . 2]"
1 78 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 79 TYR 0.839 0.117 19 0 "[ . 1 . 2]"
1 80 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 81 ASN 3.376 0.195 10 0 "[ . 1 . 2]"
1 82 GLY 3.009 0.486 17 0 "[ . 1 . 2]"
1 83 ALA 0.847 0.222 12 0 "[ . 1 . 2]"
1 84 GLU 0.715 0.566 11 1 "[ . 1+ . 2]"
1 85 LEU 1.331 0.566 11 1 "[ . 1+ . 2]"
1 86 ASP 0.507 0.065 11 0 "[ . 1 . 2]"
1 87 TYR 4.238 0.173 11 0 "[ . 1 . 2]"
1 88 VAL 3.457 0.767 10 2 "[ . - + . 2]"
1 89 VAL 8.008 0.375 1 0 "[ . 1 . 2]"
1 90 ASP 3.318 0.180 8 0 "[ . 1 . 2]"
1 91 PHE 4.249 0.198 17 0 "[ . 1 . 2]"
1 92 MET 5.012 0.198 17 0 "[ . 1 . 2]"
1 93 GLY 3.859 0.245 6 0 "[ . 1 . 2]"
1 94 GLY 8.706 0.375 1 0 "[ . 1 . 2]"
1 95 GLY 2.861 0.767 10 2 "[ . - + . 2]"
1 96 PHE 1.454 0.174 11 0 "[ . 1 . 2]"
1 97 THR 0.419 0.065 11 0 "[ . 1 . 2]"
1 98 ILE 0.175 0.175 16 0 "[ . 1 . 2]"
1 99 ARG 0.013 0.013 18 0 "[ . 1 . 2]"
1 100 ASN 0.340 0.175 16 0 "[ . 1 . 2]"
1 101 PRO 0.228 0.222 12 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 1 MET HA 1 2 GLN H . . 2.980 2.413 2.202 2.719 . 0 0 "[ . 1 . 2]" 1
2 1 2 GLN H 1 3 GLU H . . 5.960 3.935 2.745 4.472 . 0 0 "[ . 1 . 2]" 1
3 1 2 GLN HA 1 3 GLU H . . 3.120 2.495 2.217 2.890 . 0 0 "[ . 1 . 2]" 1
4 1 2 GLN HB2 1 3 GLU H . . 5.570 4.179 3.216 4.745 . 0 0 "[ . 1 . 2]" 1
5 1 2 GLN HB3 1 3 GLU H . . 5.710 3.405 1.945 4.433 . 0 0 "[ . 1 . 2]" 1
6 1 2 GLN HG3 1 3 GLU H . . 6.000 4.277 2.193 5.889 . 0 0 "[ . 1 . 2]" 1
7 1 3 GLU H 1 3 GLU HB2 . . 3.730 2.742 2.048 3.920 0.190 20 0 "[ . 1 . 2]" 1
8 1 3 GLU H 1 3 GLU HB3 . . 4.160 3.232 2.541 3.666 . 0 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 4 GLN H . . 4.960 4.453 3.934 4.654 . 0 0 "[ . 1 . 2]" 1
10 1 3 GLU HA 1 4 GLN H . . 2.760 2.339 2.207 2.427 . 0 0 "[ . 1 . 2]" 1
11 1 3 GLU HB2 1 4 GLN H . . 4.560 3.996 2.643 4.733 0.173 14 0 "[ . 1 . 2]" 1
12 1 3 GLU HB3 1 4 GLN H . . 4.960 3.473 2.775 4.343 . 0 0 "[ . 1 . 2]" 1
13 1 3 GLU QG 1 4 GLN H . . 6.880 3.243 2.038 4.187 . 0 0 "[ . 1 . 2]" 1
14 1 4 GLN H 1 4 GLN HB2 . . 4.270 2.403 2.115 2.946 . 0 0 "[ . 1 . 2]" 1
15 1 4 GLN H 1 4 GLN HB3 . . 4.270 3.076 2.436 3.726 . 0 0 "[ . 1 . 2]" 1
16 1 4 GLN H 1 5 ALA H . . 4.490 4.208 3.845 4.614 0.124 15 0 "[ . 1 . 2]" 1
17 1 4 GLN HA 1 5 ALA H . . 2.760 2.309 2.203 2.590 . 0 0 "[ . 1 . 2]" 1
18 1 4 GLN HB2 1 5 ALA H . . 5.460 4.537 3.482 4.747 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLN HB3 1 5 ALA H . . 4.600 4.042 2.273 4.558 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLN HB3 1 60 ASP H . . 5.600 5.447 3.795 5.695 0.095 2 0 "[ . 1 . 2]" 1
21 1 4 GLN QG 1 5 ALA H . . 6.880 3.629 2.141 4.315 . 0 0 "[ . 1 . 2]" 1
22 1 5 ALA H 1 6 GLN H . . 4.560 4.500 4.111 4.655 0.095 18 0 "[ . 1 . 2]" 1
23 1 5 ALA HA 1 6 GLN H . . 2.690 2.256 2.187 2.498 . 0 0 "[ . 1 . 2]" 1
24 1 5 ALA HA 1 6 GLN QB . . 6.440 4.207 3.956 4.581 . 0 0 "[ . 1 . 2]" 1
25 1 5 ALA HA 1 6 GLN QG . . 6.880 5.110 3.837 5.867 . 0 0 "[ . 1 . 2]" 1
26 1 5 ALA MB 1 6 GLN H . . 4.830 3.230 2.516 3.703 . 0 0 "[ . 1 . 2]" 1
27 1 6 GLN H 1 7 GLN H . . 3.980 3.490 2.643 4.550 0.570 18 1 "[ . 1 . + 2]" 1
28 1 6 GLN HA 1 7 GLN H . . 2.720 2.486 2.202 2.917 0.197 15 0 "[ . 1 . 2]" 1
29 1 6 GLN QB 1 7 GLN H . . 4.640 3.862 3.292 4.134 . 0 0 "[ . 1 . 2]" 1
30 1 6 GLN QG 1 7 GLN H . . 6.880 3.401 2.101 4.577 . 0 0 "[ . 1 . 2]" 1
31 1 6 GLN QG 1 63 PHE QE . . 9.000 6.727 6.200 7.402 . 0 0 "[ . 1 . 2]" 1
32 1 7 GLN H 1 7 GLN QG . . 4.340 3.302 1.919 4.111 . 0 0 "[ . 1 . 2]" 1
33 1 7 GLN H 1 8 PHE H . . 4.020 4.080 4.006 4.253 0.233 18 0 "[ . 1 . 2]" 1
34 1 7 GLN HA 1 7 GLN QG . . 3.910 2.653 1.967 3.334 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLN HA 1 8 PHE H . . 2.760 2.229 2.203 2.246 . 0 0 "[ . 1 . 2]" 1
36 1 7 GLN HA 1 62 VAL MG1 . . 5.980 4.840 4.763 4.989 . 0 0 "[ . 1 . 2]" 1
37 1 7 GLN QB 1 8 PHE H . . 4.860 3.859 3.519 4.055 . 0 0 "[ . 1 . 2]" 1
38 1 7 GLN QG 1 8 PHE H . . 4.920 3.693 3.167 4.351 . 0 0 "[ . 1 . 2]" 1
39 1 7 GLN QG 1 9 ILE H . . 6.000 5.483 4.570 6.172 0.172 6 0 "[ . 1 . 2]" 1
40 1 8 PHE H 1 9 ILE H . . 4.740 4.573 4.352 4.652 . 0 0 "[ . 1 . 2]" 1
41 1 8 PHE H 1 77 MET ME . . 6.520 4.960 4.110 5.325 . 0 0 "[ . 1 . 2]" 1
42 1 8 PHE HA 1 9 ILE H . . 2.900 2.343 2.199 2.447 . 0 0 "[ . 1 . 2]" 1
43 1 8 PHE HA 1 77 MET ME . . 5.800 3.736 2.789 4.487 . 0 0 "[ . 1 . 2]" 1
44 1 8 PHE QB 1 9 ILE H . . 4.860 3.074 2.569 3.860 . 0 0 "[ . 1 . 2]" 1
45 1 8 PHE QB 1 77 MET ME . . 5.670 2.422 1.686 3.731 . 0 0 "[ . 1 . 2]" 1
46 1 8 PHE QD 1 72 ILE MD . . 9.150 3.083 1.834 4.175 . 0 0 "[ . 1 . 2]" 1
47 1 8 PHE QD 1 77 MET ME . . 6.670 2.736 1.886 3.291 . 0 0 "[ . 1 . 2]" 1
48 1 8 PHE QE 1 72 ILE MD . . 6.880 3.757 1.839 5.215 . 0 0 "[ . 1 . 2]" 1
49 1 8 PHE QE 1 77 MET ME . . 7.670 3.725 2.175 4.958 . 0 0 "[ . 1 . 2]" 1
50 1 9 ILE H 1 9 ILE HB . . 3.340 2.412 2.200 2.570 . 0 0 "[ . 1 . 2]" 1
51 1 9 ILE H 1 9 ILE MD . . 5.190 3.500 2.029 4.137 . 0 0 "[ . 1 . 2]" 1
52 1 9 ILE H 1 9 ILE HG12 . . 5.600 2.446 1.919 4.596 . 0 0 "[ . 1 . 2]" 1
53 1 9 ILE H 1 9 ILE HG13 . . 4.560 3.568 3.223 4.379 . 0 0 "[ . 1 . 2]" 1
54 1 9 ILE H 1 10 PHE H . . 6.000 4.436 4.348 4.607 . 0 0 "[ . 1 . 2]" 1
55 1 9 ILE H 1 77 MET ME . . 5.120 3.146 2.335 3.905 . 0 0 "[ . 1 . 2]" 1
56 1 9 ILE H 1 81 ASN HA . . 5.320 5.152 4.614 5.446 0.126 19 0 "[ . 1 . 2]" 1
57 1 9 ILE H 1 82 GLY H . . 4.600 4.484 4.099 4.655 0.055 13 0 "[ . 1 . 2]" 1
58 1 9 ILE HA 1 9 ILE HG12 . . 4.020 2.994 2.508 3.641 . 0 0 "[ . 1 . 2]" 1
59 1 9 ILE HA 1 9 ILE HG13 . . 4.270 3.634 2.396 3.850 . 0 0 "[ . 1 . 2]" 1
60 1 9 ILE HA 1 10 PHE H . . 3.010 2.188 2.176 2.246 . 0 0 "[ . 1 . 2]" 1
61 1 9 ILE HA 1 63 PHE QD . . 8.120 5.459 4.348 6.047 . 0 0 "[ . 1 . 2]" 1
62 1 9 ILE HB 1 9 ILE HG13 . . 2.800 2.422 2.287 3.012 0.212 8 0 "[ . 1 . 2]" 1
63 1 9 ILE HB 1 10 PHE H . . 5.100 4.408 4.099 4.574 . 0 0 "[ . 1 . 2]" 1
64 1 9 ILE HB 1 82 GLY H . . 4.130 3.410 2.463 4.495 0.365 17 0 "[ . 1 . 2]" 1
65 1 9 ILE HB 1 82 GLY HA2 . . 4.200 3.673 2.724 4.686 0.486 17 0 "[ . 1 . 2]" 1
66 1 9 ILE HB 1 82 GLY HA3 . . 4.740 4.319 3.212 5.082 0.342 7 0 "[ . 1 . 2]" 1
67 1 9 ILE MD 1 10 PHE H . . 5.050 3.776 3.572 3.973 . 0 0 "[ . 1 . 2]" 1
68 1 9 ILE MD 1 82 GLY H . . 7.030 5.603 4.851 5.887 . 0 0 "[ . 1 . 2]" 1
69 1 9 ILE HG12 1 10 PHE H . . 6.000 5.019 3.987 5.603 . 0 0 "[ . 1 . 2]" 1
70 1 9 ILE HG12 1 77 MET ME . . 5.840 5.028 4.288 5.524 . 0 0 "[ . 1 . 2]" 1
71 1 9 ILE HG13 1 10 PHE H . . 6.000 5.472 2.382 5.826 . 0 0 "[ . 1 . 2]" 1
72 1 9 ILE MG 1 10 PHE H . . 5.050 2.989 2.411 3.976 . 0 0 "[ . 1 . 2]" 1
73 1 9 ILE MG 1 11 LYS H . . 7.030 4.812 4.151 5.541 . 0 0 "[ . 1 . 2]" 1
74 1 9 ILE MG 1 11 LYS QD . . 7.900 4.689 3.107 5.853 . 0 0 "[ . 1 . 2]" 1
75 1 9 ILE MG 1 11 LYS QE . . 5.850 3.320 1.957 4.177 . 0 0 "[ . 1 . 2]" 1
76 1 9 ILE MG 1 11 LYS HG2 . . 6.600 4.311 3.158 5.735 . 0 0 "[ . 1 . 2]" 1
77 1 9 ILE MG 1 11 LYS HG3 . . 7.030 4.461 3.792 5.693 . 0 0 "[ . 1 . 2]" 1
78 1 9 ILE MG 1 63 PHE QD . . 9.150 6.442 5.421 6.946 . 0 0 "[ . 1 . 2]" 1
79 1 9 ILE MG 1 82 GLY H . . 5.440 3.258 1.796 4.051 . 0 0 "[ . 1 . 2]" 1
80 1 9 ILE MG 1 82 GLY HA2 . . 4.830 2.326 1.871 2.725 . 0 0 "[ . 1 . 2]" 1
81 1 9 ILE MG 1 82 GLY HA3 . . 5.010 3.127 2.047 3.914 . 0 0 "[ . 1 . 2]" 1
82 1 9 ILE MG 1 83 ALA H . . 6.340 4.643 3.337 5.131 . 0 0 "[ . 1 . 2]" 1
83 1 10 PHE H 1 10 PHE HB2 . . 4.090 3.213 2.889 3.531 . 0 0 "[ . 1 . 2]" 1
84 1 10 PHE H 1 11 LYS H . . 6.000 4.214 3.897 4.344 . 0 0 "[ . 1 . 2]" 1
85 1 10 PHE HA 1 11 LYS H . . 3.120 2.270 2.196 2.357 . 0 0 "[ . 1 . 2]" 1
86 1 10 PHE HA 1 83 ALA H . . 6.000 3.817 2.615 4.927 . 0 0 "[ . 1 . 2]" 1
87 1 10 PHE HB2 1 11 LYS H . . 4.560 4.289 3.921 4.608 0.048 5 0 "[ . 1 . 2]" 1
88 1 10 PHE HB3 1 11 LYS H . . 5.640 4.036 3.552 4.326 . 0 0 "[ . 1 . 2]" 1
89 1 10 PHE HB3 1 72 ILE MD . . 7.030 3.227 2.436 4.386 . 0 0 "[ . 1 . 2]" 1
90 1 10 PHE QD 1 12 VAL MG2 . . 7.310 4.290 3.232 5.030 . 0 0 "[ . 1 . 2]" 1
91 1 10 PHE QD 1 36 ILE MD . . 8.830 4.303 3.039 5.792 . 0 0 "[ . 1 . 2]" 1
92 1 10 PHE QD 1 70 VAL MG1 . . 7.310 3.583 3.060 4.491 . 0 0 "[ . 1 . 2]" 1
93 1 10 PHE QD 1 72 ILE MD . . 7.960 2.682 1.987 3.704 . 0 0 "[ . 1 . 2]" 1
94 1 10 PHE QD 1 77 MET ME . . 8.790 4.189 2.412 5.440 . 0 0 "[ . 1 . 2]" 1
95 1 10 PHE QD 1 80 VAL HB . . 8.120 4.179 3.050 5.866 . 0 0 "[ . 1 . 2]" 1
96 1 10 PHE QD 1 80 VAL MG2 . . 8.610 3.434 2.416 4.550 . 0 0 "[ . 1 . 2]" 1
97 1 10 PHE QD 1 83 ALA H . . 8.120 3.559 2.128 4.856 . 0 0 "[ . 1 . 2]" 1
98 1 10 PHE QD 1 83 ALA MB . . 9.150 4.038 3.219 5.648 . 0 0 "[ . 1 . 2]" 1
99 1 10 PHE QD 1 85 LEU MD1 . . 9.150 6.677 6.329 6.977 . 0 0 "[ . 1 . 2]" 1
100 1 10 PHE QE 1 12 VAL MG2 . . 7.060 2.875 1.963 3.898 . 0 0 "[ . 1 . 2]" 1
101 1 10 PHE QE 1 36 ILE MD . . 7.170 3.111 1.989 4.191 . 0 0 "[ . 1 . 2]" 1
102 1 10 PHE QE 1 36 ILE MG . . 9.150 3.860 2.020 5.387 . 0 0 "[ . 1 . 2]" 1
103 1 10 PHE QE 1 70 VAL MG1 . . 7.670 3.675 2.327 4.427 . 0 0 "[ . 1 . 2]" 1
104 1 10 PHE QE 1 70 VAL MG2 . . 8.720 4.851 3.226 5.436 . 0 0 "[ . 1 . 2]" 1
105 1 10 PHE QE 1 72 ILE MD . . 9.150 3.552 2.337 4.990 . 0 0 "[ . 1 . 2]" 1
106 1 10 PHE QE 1 80 VAL HB . . 8.120 3.187 1.994 5.439 . 0 0 "[ . 1 . 2]" 1
107 1 10 PHE QE 1 80 VAL MG2 . . 9.110 3.093 1.840 4.903 . 0 0 "[ . 1 . 2]" 1
108 1 10 PHE QE 1 83 ALA H . . 8.120 4.630 3.328 5.857 . 0 0 "[ . 1 . 2]" 1
109 1 10 PHE QE 1 83 ALA MB . . 7.280 3.553 1.971 5.364 . 0 0 "[ . 1 . 2]" 1
110 1 10 PHE QE 1 85 LEU HB2 . . 7.830 3.915 3.423 4.606 . 0 0 "[ . 1 . 2]" 1
111 1 10 PHE QE 1 85 LEU HB3 . . 8.120 3.000 2.011 3.635 . 0 0 "[ . 1 . 2]" 1
112 1 10 PHE QE 1 85 LEU MD1 . . 9.150 4.965 4.539 5.354 . 0 0 "[ . 1 . 2]" 1
113 1 10 PHE QE 1 85 LEU MD2 . . 9.150 3.094 2.197 3.628 . 0 0 "[ . 1 . 2]" 1
114 1 10 PHE QE 1 98 ILE MD . . 8.030 4.210 2.783 5.690 . 0 0 "[ . 1 . 2]" 1
115 1 10 PHE QE 1 98 ILE MG . . 9.150 5.610 3.712 6.910 . 0 0 "[ . 1 . 2]" 1
116 1 11 LYS H 1 11 LYS HB2 . . 4.060 2.670 2.299 2.933 . 0 0 "[ . 1 . 2]" 1
117 1 11 LYS H 1 11 LYS HB3 . . 4.060 3.762 3.484 3.883 . 0 0 "[ . 1 . 2]" 1
118 1 11 LYS H 1 11 LYS QE . . 6.880 4.162 2.715 5.276 . 0 0 "[ . 1 . 2]" 1
119 1 11 LYS H 1 11 LYS HG2 . . 4.240 3.461 2.519 4.867 0.627 6 1 "[ .+ 1 . 2]" 1
120 1 11 LYS H 1 11 LYS HG3 . . 4.880 3.831 3.310 4.229 . 0 0 "[ . 1 . 2]" 1
121 1 11 LYS H 1 12 VAL H . . 5.600 4.235 4.050 4.477 . 0 0 "[ . 1 . 2]" 1
122 1 11 LYS H 1 83 ALA H . . 6.000 4.582 2.876 5.875 . 0 0 "[ . 1 . 2]" 1
123 1 11 LYS H 1 84 GLU HA . . 4.420 3.159 2.335 3.784 . 0 0 "[ . 1 . 2]" 1
124 1 11 LYS H 1 85 LEU H . . 4.600 4.556 3.881 4.682 0.082 11 0 "[ . 1 . 2]" 1
125 1 11 LYS HA 1 11 LYS HG2 . . 3.950 2.818 2.321 3.154 . 0 0 "[ . 1 . 2]" 1
126 1 11 LYS HA 1 11 LYS HG3 . . 4.090 3.310 2.113 3.869 . 0 0 "[ . 1 . 2]" 1
127 1 11 LYS HA 1 12 VAL H . . 2.720 2.193 2.176 2.298 . 0 0 "[ . 1 . 2]" 1
128 1 11 LYS HB2 1 12 VAL H . . 4.420 4.381 4.124 4.467 0.047 14 0 "[ . 1 . 2]" 1
129 1 11 LYS HB3 1 12 VAL H . . 3.730 3.519 2.949 3.768 0.038 13 0 "[ . 1 . 2]" 1
130 1 11 LYS QD 1 12 VAL H . . 6.880 4.362 3.554 5.745 . 0 0 "[ . 1 . 2]" 1
131 1 11 LYS QE 1 12 VAL H . . 6.340 5.333 4.528 5.679 . 0 0 "[ . 1 . 2]" 1
132 1 11 LYS HG2 1 12 VAL H . . 6.000 4.755 4.122 5.198 . 0 0 "[ . 1 . 2]" 1
133 1 11 LYS HG3 1 12 VAL H . . 5.960 5.288 4.071 5.819 . 0 0 "[ . 1 . 2]" 1
134 1 12 VAL H 1 12 VAL HB . . 3.590 2.657 2.482 2.764 . 0 0 "[ . 1 . 2]" 1
135 1 12 VAL H 1 12 VAL MG1 . . 4.400 2.491 2.248 2.826 . 0 0 "[ . 1 . 2]" 1
136 1 12 VAL H 1 12 VAL MG2 . . 4.540 3.851 3.781 3.904 . 0 0 "[ . 1 . 2]" 1
137 1 12 VAL H 1 13 THR H . . 4.520 4.436 4.266 4.553 0.033 20 0 "[ . 1 . 2]" 1
138 1 12 VAL HA 1 13 THR H . . 2.830 2.253 2.192 2.326 . 0 0 "[ . 1 . 2]" 1
139 1 12 VAL HA 1 13 THR MG . . 5.370 3.586 3.306 3.899 . 0 0 "[ . 1 . 2]" 1
140 1 12 VAL HA 1 85 LEU H . . 3.730 2.616 2.225 2.915 . 0 0 "[ . 1 . 2]" 1
141 1 12 VAL HB 1 13 THR H . . 4.520 4.373 4.196 4.549 0.029 16 0 "[ . 1 . 2]" 1
142 1 12 VAL MG1 1 13 THR H . . 4.290 3.417 3.262 3.535 . 0 0 "[ . 1 . 2]" 1
143 1 12 VAL MG1 1 16 ALA MB . . 5.680 2.200 1.943 2.496 . 0 0 "[ . 1 . 2]" 1
144 1 12 VAL MG1 1 65 TYR QD . . 7.580 3.631 2.116 4.233 . 0 0 "[ . 1 . 2]" 1
145 1 12 VAL MG1 1 65 TYR QE . . 7.760 2.229 1.944 2.882 . 0 0 "[ . 1 . 2]" 1
146 1 12 VAL MG1 1 85 LEU H . . 7.030 5.022 4.737 5.299 . 0 0 "[ . 1 . 2]" 1
147 1 12 VAL MG1 1 85 LEU HB3 . . 7.030 5.237 4.743 5.960 . 0 0 "[ . 1 . 2]" 1
148 1 12 VAL MG1 1 85 LEU MD1 . . 8.060 5.448 5.119 5.597 . 0 0 "[ . 1 . 2]" 1
149 1 12 VAL MG2 1 13 THR H . . 5.840 2.525 2.035 3.085 . 0 0 "[ . 1 . 2]" 1
150 1 12 VAL MG2 1 16 ALA H . . 5.590 3.861 3.545 4.179 . 0 0 "[ . 1 . 2]" 1
151 1 12 VAL MG2 1 16 ALA MB . . 8.060 1.770 1.637 1.995 . 0 0 "[ . 1 . 2]" 1
152 1 12 VAL MG2 1 17 VAL H . . 4.800 3.801 3.709 3.866 . 0 0 "[ . 1 . 2]" 1
153 1 12 VAL MG2 1 65 TYR QD . . 9.170 5.636 4.069 6.259 . 0 0 "[ . 1 . 2]" 1
154 1 12 VAL MG2 1 65 TYR QE . . 7.110 4.149 2.467 4.938 . 0 0 "[ . 1 . 2]" 1
155 1 12 VAL MG2 1 85 LEU H . . 5.620 2.819 2.441 3.276 . 0 0 "[ . 1 . 2]" 1
156 1 12 VAL MG2 1 85 LEU HB2 . . 5.480 3.860 3.448 4.496 . 0 0 "[ . 1 . 2]" 1
157 1 12 VAL MG2 1 85 LEU HB3 . . 5.080 2.544 1.970 3.421 . 0 0 "[ . 1 . 2]" 1
158 1 12 VAL MG2 1 85 LEU MD1 . . 6.330 3.423 3.115 3.637 . 0 0 "[ . 1 . 2]" 1
159 1 13 THR H 1 13 THR HG1 . . 4.670 2.635 1.922 3.362 . 0 0 "[ . 1 . 2]" 1
160 1 13 THR H 1 13 THR MG . . 3.610 2.098 1.868 2.428 . 0 0 "[ . 1 . 2]" 1
161 1 13 THR H 1 14 ASP H . . 4.850 4.647 4.590 4.672 . 0 0 "[ . 1 . 2]" 1
162 1 13 THR H 1 16 ALA MB . . 4.260 3.015 2.744 3.228 . 0 0 "[ . 1 . 2]" 1
163 1 13 THR H 1 85 LEU H . . 4.240 3.968 3.436 4.281 0.041 5 0 "[ . 1 . 2]" 1
164 1 13 THR H 1 85 LEU HB3 . . 6.000 5.297 4.526 6.041 0.041 3 0 "[ . 1 . 2]" 1
165 1 13 THR H 1 86 ASP HA . . 4.060 3.174 2.845 3.619 . 0 0 "[ . 1 . 2]" 1
166 1 13 THR HA 1 13 THR HB . . 3.050 2.544 2.439 2.658 . 0 0 "[ . 1 . 2]" 1
167 1 13 THR HA 1 14 ASP H . . 2.900 2.402 2.203 2.605 . 0 0 "[ . 1 . 2]" 1
168 1 13 THR HA 1 15 LYS H . . 4.850 4.050 3.812 4.232 . 0 0 "[ . 1 . 2]" 1
169 1 13 THR HB 1 14 ASP H . . 3.340 2.705 2.246 3.254 . 0 0 "[ . 1 . 2]" 1
170 1 13 THR HB 1 15 LYS H . . 3.660 2.643 2.392 3.008 . 0 0 "[ . 1 . 2]" 1
171 1 13 THR HG1 1 14 ASP H . . 6.000 4.416 3.703 4.926 . 0 0 "[ . 1 . 2]" 1
172 1 13 THR HG1 1 15 LYS H . . 4.740 3.431 2.745 4.322 . 0 0 "[ . 1 . 2]" 1
173 1 13 THR HG1 1 16 ALA H . . 3.480 2.408 1.939 2.866 . 0 0 "[ . 1 . 2]" 1
174 1 13 THR HG1 1 16 ALA MB . . 5.340 2.483 1.890 3.175 . 0 0 "[ . 1 . 2]" 1
175 1 13 THR HG1 1 86 ASP HA . . 3.480 2.508 1.989 3.181 . 0 0 "[ . 1 . 2]" 1
176 1 13 THR HG1 1 87 TYR H . . 3.590 2.703 2.099 3.288 . 0 0 "[ . 1 . 2]" 1
177 1 13 THR MG 1 14 ASP H . . 5.300 3.847 3.502 4.098 . 0 0 "[ . 1 . 2]" 1
178 1 13 THR MG 1 15 LYS H . . 5.880 4.243 4.114 4.505 . 0 0 "[ . 1 . 2]" 1
179 1 13 THR MG 1 16 ALA H . . 5.410 4.312 4.018 4.560 . 0 0 "[ . 1 . 2]" 1
180 1 13 THR MG 1 16 ALA MB . . 7.410 3.873 3.247 4.268 . 0 0 "[ . 1 . 2]" 1
181 1 13 THR MG 1 86 ASP H . . 6.880 4.008 3.516 5.174 . 0 0 "[ . 1 . 2]" 1
182 1 13 THR MG 1 86 ASP HA . . 4.940 2.205 1.909 3.279 . 0 0 "[ . 1 . 2]" 1
183 1 13 THR MG 1 86 ASP HB2 . . 6.380 2.997 2.245 3.887 . 0 0 "[ . 1 . 2]" 1
184 1 13 THR MG 1 86 ASP HB3 . . 6.240 3.287 1.909 4.617 . 0 0 "[ . 1 . 2]" 1
185 1 13 THR MG 1 87 TYR H . . 7.030 3.837 3.367 4.503 . 0 0 "[ . 1 . 2]" 1
186 1 14 ASP H 1 14 ASP HB2 . . 3.370 2.111 2.004 2.283 . 0 0 "[ . 1 . 2]" 1
187 1 14 ASP H 1 14 ASP HB3 . . 3.370 3.371 3.214 3.513 0.143 10 0 "[ . 1 . 2]" 1
188 1 14 ASP H 1 15 LYS H . . 3.260 2.582 2.330 2.829 . 0 0 "[ . 1 . 2]" 1
189 1 14 ASP H 1 16 ALA H . . 4.310 4.281 4.049 4.372 0.062 12 0 "[ . 1 . 2]" 1
190 1 14 ASP HA 1 14 ASP HB2 . . 3.120 2.960 2.825 3.041 . 0 0 "[ . 1 . 2]" 1
191 1 14 ASP HA 1 14 ASP HB3 . . 3.080 2.787 2.625 2.945 . 0 0 "[ . 1 . 2]" 1
192 1 14 ASP HA 1 15 LYS H . . 3.660 3.551 3.510 3.607 . 0 0 "[ . 1 . 2]" 1
193 1 14 ASP HA 1 16 ALA H . . 5.100 4.318 4.134 4.501 . 0 0 "[ . 1 . 2]" 1
194 1 14 ASP HA 1 17 VAL H . . 4.240 3.389 3.220 3.564 . 0 0 "[ . 1 . 2]" 1
195 1 14 ASP HA 1 17 VAL HB . . 3.480 2.628 2.210 2.830 . 0 0 "[ . 1 . 2]" 1
196 1 14 ASP HA 1 17 VAL MG1 . . 6.240 3.479 3.094 3.852 . 0 0 "[ . 1 . 2]" 1
197 1 14 ASP HA 1 17 VAL MG2 . . 4.900 3.865 3.291 4.023 . 0 0 "[ . 1 . 2]" 1
198 1 14 ASP HA 1 18 GLU H . . 4.380 3.653 3.200 3.978 . 0 0 "[ . 1 . 2]" 1
199 1 14 ASP HB2 1 15 LYS H . . 3.410 3.124 2.865 3.369 . 0 0 "[ . 1 . 2]" 1
200 1 14 ASP HB3 1 15 LYS H . . 3.800 3.446 2.918 3.716 . 0 0 "[ . 1 . 2]" 1
201 1 15 LYS H 1 15 LYS HB2 . . 3.260 2.063 2.032 2.132 . 0 0 "[ . 1 . 2]" 1
202 1 15 LYS H 1 15 LYS HB3 . . 3.010 3.008 2.879 3.054 0.044 1 0 "[ . 1 . 2]" 1
203 1 15 LYS H 1 15 LYS HD2 . . 6.000 4.476 3.388 5.685 . 0 0 "[ . 1 . 2]" 1
204 1 15 LYS H 1 15 LYS HD3 . . 5.750 4.554 3.248 5.602 . 0 0 "[ . 1 . 2]" 1
205 1 15 LYS H 1 15 LYS HG2 . . 4.420 4.375 3.863 4.490 0.070 4 0 "[ . 1 . 2]" 1
206 1 15 LYS H 1 15 LYS HG3 . . 4.630 4.151 3.815 4.451 . 0 0 "[ . 1 . 2]" 1
207 1 15 LYS H 1 16 ALA H . . 3.050 2.638 2.585 2.744 . 0 0 "[ . 1 . 2]" 1
208 1 15 LYS H 1 16 ALA MB . . 5.550 4.214 4.140 4.341 . 0 0 "[ . 1 . 2]" 1
209 1 15 LYS H 1 87 TYR H . . 5.350 5.318 5.069 5.402 0.052 1 0 "[ . 1 . 2]" 1
210 1 15 LYS HA 1 15 LYS HD2 . . 4.270 3.459 1.994 4.451 0.181 16 0 "[ . 1 . 2]" 1
211 1 15 LYS HA 1 15 LYS HD3 . . 4.270 3.639 2.334 4.544 0.274 18 0 "[ . 1 . 2]" 1
212 1 15 LYS HA 1 15 LYS HE2 . . 6.000 4.781 2.581 5.826 . 0 0 "[ . 1 . 2]" 1
213 1 15 LYS HA 1 15 LYS HE3 . . 6.000 4.413 3.203 5.769 . 0 0 "[ . 1 . 2]" 1
214 1 15 LYS HA 1 16 ALA H . . 4.450 3.603 3.579 3.623 . 0 0 "[ . 1 . 2]" 1
215 1 15 LYS HA 1 18 GLU H . . 4.090 3.531 3.194 3.914 . 0 0 "[ . 1 . 2]" 1
216 1 15 LYS HA 1 18 GLU QB . . 5.290 2.519 2.126 3.726 . 0 0 "[ . 1 . 2]" 1
217 1 15 LYS HB2 1 16 ALA H . . 3.770 3.475 3.340 3.659 . 0 0 "[ . 1 . 2]" 1
218 1 15 LYS HB3 1 15 LYS HE2 . . 5.570 4.630 4.194 5.026 . 0 0 "[ . 1 . 2]" 1
219 1 15 LYS HB3 1 16 ALA H . . 3.840 2.868 2.753 3.017 . 0 0 "[ . 1 . 2]" 1
220 1 15 LYS HD2 1 15 LYS HG2 . . 2.690 2.995 2.870 3.055 0.365 1 0 "[ . 1 . 2]" 1
221 1 15 LYS HD2 1 15 LYS HG3 . . 2.980 2.530 2.265 2.840 . 0 0 "[ . 1 . 2]" 1
222 1 15 LYS HD2 1 16 ALA H . . 6.000 5.460 5.093 5.757 . 0 0 "[ . 1 . 2]" 1
223 1 15 LYS HD3 1 15 LYS HG3 . . 2.940 2.995 2.870 3.055 0.115 1 0 "[ . 1 . 2]" 1
224 1 15 LYS HD3 1 16 ALA H . . 6.000 5.371 4.040 5.888 . 0 0 "[ . 1 . 2]" 1
225 1 15 LYS HE2 1 15 LYS HG2 . . 3.520 2.863 2.006 3.684 0.164 13 0 "[ . 1 . 2]" 1
226 1 15 LYS HE2 1 15 LYS HG3 . . 3.230 3.210 2.172 3.926 0.696 2 2 "[ + -. 1 . 2]" 1
227 1 15 LYS HE3 1 15 LYS HG2 . . 4.060 3.006 2.097 4.074 0.014 11 0 "[ . 1 . 2]" 1
228 1 15 LYS HE3 1 15 LYS HG3 . . 3.800 2.735 2.100 3.889 0.089 12 0 "[ . 1 . 2]" 1
229 1 15 LYS HG2 1 16 ALA H . . 4.850 4.959 4.659 5.219 0.369 20 0 "[ . 1 . 2]" 1
230 1 15 LYS HG2 1 87 TYR QD . . 8.140 5.225 3.648 7.045 . 0 0 "[ . 1 . 2]" 1
231 1 15 LYS HG3 1 16 ALA H . . 6.000 5.024 4.718 5.289 . 0 0 "[ . 1 . 2]" 1
232 1 16 ALA H 1 17 VAL H . . 3.190 2.753 2.596 2.937 . 0 0 "[ . 1 . 2]" 1
233 1 16 ALA H 1 17 VAL HB . . 4.670 4.502 4.316 4.697 0.027 1 0 "[ . 1 . 2]" 1
234 1 16 ALA H 1 17 VAL MG2 . . 7.030 5.015 4.626 5.259 . 0 0 "[ . 1 . 2]" 1
235 1 16 ALA H 1 18 GLU H . . 5.420 4.103 3.936 4.339 . 0 0 "[ . 1 . 2]" 1
236 1 16 ALA H 1 20 ILE MD . . 7.030 5.635 5.106 5.784 . 0 0 "[ . 1 . 2]" 1
237 1 16 ALA H 1 86 ASP HA . . 4.700 4.503 4.186 4.700 0.000 13 0 "[ . 1 . 2]" 1
238 1 16 ALA H 1 87 TYR H . . 4.630 3.546 3.297 3.995 . 0 0 "[ . 1 . 2]" 1
239 1 16 ALA H 1 87 TYR HA . . 5.890 5.948 5.735 6.039 0.149 13 0 "[ . 1 . 2]" 1
240 1 16 ALA H 1 87 TYR HB3 . . 3.910 3.676 3.416 4.008 0.098 8 0 "[ . 1 . 2]" 1
241 1 16 ALA HA 1 17 VAL H . . 4.240 3.632 3.616 3.642 . 0 0 "[ . 1 . 2]" 1
242 1 16 ALA HA 1 19 GLU HB2 . . 4.240 3.278 2.625 3.654 . 0 0 "[ . 1 . 2]" 1
243 1 16 ALA HA 1 19 GLU HB3 . . 3.730 2.712 2.078 3.328 . 0 0 "[ . 1 . 2]" 1
244 1 16 ALA HA 1 20 ILE MD . . 6.630 3.685 3.273 3.921 . 0 0 "[ . 1 . 2]" 1
245 1 16 ALA MB 1 17 VAL H . . 4.040 2.399 2.199 2.577 . 0 0 "[ . 1 . 2]" 1
246 1 16 ALA MB 1 20 ILE MD . . 7.080 3.690 3.075 3.875 . 0 0 "[ . 1 . 2]" 1
247 1 16 ALA MB 1 85 LEU MD1 . . 7.520 3.347 2.716 3.677 . 0 0 "[ . 1 . 2]" 1
248 1 16 ALA MB 1 85 LEU MD2 . . 6.650 3.359 2.428 4.067 . 0 0 "[ . 1 . 2]" 1
249 1 16 ALA MB 1 86 ASP HA . . 4.470 3.371 3.156 3.601 . 0 0 "[ . 1 . 2]" 1
250 1 16 ALA MB 1 86 ASP HB2 . . 7.030 5.577 5.289 5.769 . 0 0 "[ . 1 . 2]" 1
251 1 16 ALA MB 1 86 ASP HB3 . . 7.030 5.593 5.154 5.767 . 0 0 "[ . 1 . 2]" 1
252 1 16 ALA MB 1 87 TYR H . . 4.980 2.370 1.996 3.318 . 0 0 "[ . 1 . 2]" 1
253 1 16 ALA MB 1 87 TYR HA . . 5.410 4.187 3.844 4.383 . 0 0 "[ . 1 . 2]" 1
254 1 16 ALA MB 1 87 TYR HB2 . . 6.090 2.204 1.885 2.924 . 0 0 "[ . 1 . 2]" 1
255 1 16 ALA MB 1 87 TYR HB3 . . 5.910 2.895 2.146 4.028 . 0 0 "[ . 1 . 2]" 1
256 1 16 ALA MB 1 87 TYR QD . . 9.170 3.630 3.004 4.006 . 0 0 "[ . 1 . 2]" 1
257 1 17 VAL H 1 17 VAL HB . . 3.080 2.048 1.976 2.162 . 0 0 "[ . 1 . 2]" 1
258 1 17 VAL H 1 17 VAL MG2 . . 3.970 2.845 2.582 3.124 . 0 0 "[ . 1 . 2]" 1
259 1 17 VAL H 1 18 GLU H . . 3.160 2.744 2.550 2.827 . 0 0 "[ . 1 . 2]" 1
260 1 17 VAL H 1 19 GLU H . . 4.700 3.977 3.675 4.382 . 0 0 "[ . 1 . 2]" 1
261 1 17 VAL HA 1 18 GLU H . . 4.240 3.621 3.602 3.639 . 0 0 "[ . 1 . 2]" 1
262 1 17 VAL HA 1 20 ILE H . . 4.600 3.452 3.076 3.943 . 0 0 "[ . 1 . 2]" 1
263 1 17 VAL HA 1 20 ILE HB . . 3.700 3.479 2.941 3.860 0.160 4 0 "[ . 1 . 2]" 1
264 1 17 VAL HA 1 20 ILE MD . . 4.980 3.377 1.986 3.864 . 0 0 "[ . 1 . 2]" 1
265 1 17 VAL HA 1 20 ILE MG . . 7.030 4.523 4.177 4.894 . 0 0 "[ . 1 . 2]" 1
266 1 17 VAL HA 1 68 VAL MG1 . . 7.030 4.463 3.853 5.027 . 0 0 "[ . 1 . 2]" 1
267 1 17 VAL HA 1 68 VAL MG2 . . 7.030 4.876 4.221 5.566 . 0 0 "[ . 1 . 2]" 1
268 1 17 VAL HB 1 18 GLU H . . 3.190 2.842 2.703 2.946 . 0 0 "[ . 1 . 2]" 1
269 1 17 VAL MG1 1 18 GLU H . . 4.650 2.599 2.104 3.003 . 0 0 "[ . 1 . 2]" 1
270 1 17 VAL MG1 1 18 GLU HA . . 6.240 2.921 2.760 3.173 . 0 0 "[ . 1 . 2]" 1
271 1 17 VAL MG1 1 18 GLU QB . . 7.900 3.604 2.999 4.150 . 0 0 "[ . 1 . 2]" 1
272 1 17 VAL MG1 1 20 ILE HB . . 6.240 4.083 3.679 4.979 . 0 0 "[ . 1 . 2]" 1
273 1 17 VAL MG1 1 21 LYS QB . . 7.440 4.122 3.358 4.802 . 0 0 "[ . 1 . 2]" 1
274 1 17 VAL MG1 1 21 LYS QD . . 5.530 2.847 1.794 3.876 . 0 0 "[ . 1 . 2]" 1
275 1 17 VAL MG1 1 21 LYS QE . . 5.460 2.688 1.851 3.441 . 0 0 "[ . 1 . 2]" 1
276 1 17 VAL MG1 1 65 TYR HA . . 7.030 5.342 5.017 5.631 . 0 0 "[ . 1 . 2]" 1
277 1 17 VAL MG1 1 65 TYR HB2 . . 6.020 4.735 4.044 4.887 . 0 0 "[ . 1 . 2]" 1
278 1 17 VAL MG1 1 65 TYR HB3 . . 6.130 3.507 3.083 3.669 . 0 0 "[ . 1 . 2]" 1
279 1 17 VAL MG1 1 65 TYR QD . . 8.380 3.358 2.699 3.879 . 0 0 "[ . 1 . 2]" 1
280 1 17 VAL MG1 1 66 ASP H . . 5.230 3.273 2.882 3.597 . 0 0 "[ . 1 . 2]" 1
281 1 17 VAL MG1 1 66 ASP HB2 . . 5.520 3.131 2.162 4.021 . 0 0 "[ . 1 . 2]" 1
282 1 17 VAL MG1 1 66 ASP HB3 . . 3.860 2.803 1.967 3.189 . 0 0 "[ . 1 . 2]" 1
283 1 17 VAL MG2 1 18 GLU H . . 4.870 4.150 4.080 4.211 . 0 0 "[ . 1 . 2]" 1
284 1 17 VAL MG2 1 21 LYS QD . . 7.900 4.948 3.736 5.816 . 0 0 "[ . 1 . 2]" 1
285 1 17 VAL MG2 1 21 LYS QE . . 7.260 4.758 3.928 5.370 . 0 0 "[ . 1 . 2]" 1
286 1 17 VAL MG2 1 65 TYR HB2 . . 4.690 3.788 3.719 3.863 . 0 0 "[ . 1 . 2]" 1
287 1 17 VAL MG2 1 65 TYR HB3 . . 4.620 2.833 2.336 3.465 . 0 0 "[ . 1 . 2]" 1
288 1 17 VAL MG2 1 65 TYR QD . . 8.740 2.226 1.760 2.903 . 0 0 "[ . 1 . 2]" 1
289 1 17 VAL MG2 1 66 ASP H . . 6.340 3.318 2.324 4.057 . 0 0 "[ . 1 . 2]" 1
290 1 17 VAL MG2 1 66 ASP HB2 . . 6.920 4.161 2.679 5.184 . 0 0 "[ . 1 . 2]" 1
291 1 17 VAL MG2 1 66 ASP HB3 . . 6.520 4.255 2.826 4.710 . 0 0 "[ . 1 . 2]" 1
292 1 18 GLU H 1 18 GLU QB . . 3.820 2.151 2.002 2.331 . 0 0 "[ . 1 . 2]" 1
293 1 18 GLU H 1 18 GLU QG . . 5.110 3.251 2.405 3.977 . 0 0 "[ . 1 . 2]" 1
294 1 18 GLU H 1 19 GLU H . . 3.260 2.727 2.579 2.917 . 0 0 "[ . 1 . 2]" 1
295 1 18 GLU HA 1 19 GLU H . . 4.200 3.555 3.356 3.631 . 0 0 "[ . 1 . 2]" 1
296 1 18 GLU HA 1 21 LYS H . . 4.270 3.149 2.821 3.596 . 0 0 "[ . 1 . 2]" 1
297 1 18 GLU HA 1 21 LYS QB . . 5.000 2.649 1.971 4.111 . 0 0 "[ . 1 . 2]" 1
298 1 18 GLU HA 1 21 LYS QD . . 5.650 2.710 1.957 4.694 . 0 0 "[ . 1 . 2]" 1
299 1 18 GLU HA 1 22 LYS H . . 4.990 4.268 3.703 4.946 . 0 0 "[ . 1 . 2]" 1
300 1 18 GLU QB 1 19 GLU H . . 4.430 2.921 2.522 3.882 . 0 0 "[ . 1 . 2]" 1
301 1 18 GLU QG 1 19 GLU H . . 6.880 4.206 2.224 4.694 . 0 0 "[ . 1 . 2]" 1
302 1 19 GLU H 1 19 GLU HB2 . . 3.260 2.613 2.234 3.041 . 0 0 "[ . 1 . 2]" 1
303 1 19 GLU H 1 19 GLU HB3 . . 3.410 2.381 2.190 2.742 . 0 0 "[ . 1 . 2]" 1
304 1 19 GLU H 1 19 GLU QG . . 4.160 3.931 3.769 4.041 . 0 0 "[ . 1 . 2]" 1
305 1 19 GLU H 1 20 ILE H . . 3.340 2.690 2.250 3.020 . 0 0 "[ . 1 . 2]" 1
306 1 19 GLU HA 1 20 ILE H . . 4.520 3.556 3.458 3.639 . 0 0 "[ . 1 . 2]" 1
307 1 19 GLU HA 1 22 LYS H . . 3.550 3.429 3.081 3.689 0.139 9 0 "[ . 1 . 2]" 1
308 1 19 GLU HA 1 22 LYS QB . . 4.500 2.886 1.976 3.865 . 0 0 "[ . 1 . 2]" 1
309 1 19 GLU HB2 1 20 ILE H . . 4.520 4.109 3.613 4.422 . 0 0 "[ . 1 . 2]" 1
310 1 19 GLU HB3 1 20 ILE H . . 4.200 2.905 2.091 3.365 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLU QG 1 20 ILE H . . 5.140 3.631 2.588 4.143 . 0 0 "[ . 1 . 2]" 1
312 1 19 GLU QG 1 50 MET H . . 6.000 5.859 4.874 6.153 0.153 2 0 "[ . 1 . 2]" 1
313 1 20 ILE H 1 20 ILE HB . . 3.080 2.551 2.185 2.779 . 0 0 "[ . 1 . 2]" 1
314 1 20 ILE H 1 20 ILE MD . . 4.260 2.146 1.787 2.537 . 0 0 "[ . 1 . 2]" 1
315 1 20 ILE H 1 21 LYS H . . 3.410 2.498 2.229 2.788 . 0 0 "[ . 1 . 2]" 1
316 1 20 ILE H 1 22 LYS H . . 4.600 3.970 3.494 4.487 . 0 0 "[ . 1 . 2]" 1
317 1 20 ILE H 1 34 LEU MD2 . . 7.030 4.894 4.317 5.862 . 0 0 "[ . 1 . 2]" 1
318 1 20 ILE HA 1 20 ILE MD . . 4.620 2.242 1.923 3.233 . 0 0 "[ . 1 . 2]" 1
319 1 20 ILE HA 1 21 LYS H . . 4.630 3.581 3.504 3.635 . 0 0 "[ . 1 . 2]" 1
320 1 20 ILE HA 1 23 VAL H . . 4.520 3.271 2.804 3.519 . 0 0 "[ . 1 . 2]" 1
321 1 20 ILE HA 1 23 VAL HB . . 4.700 2.423 1.943 3.006 . 0 0 "[ . 1 . 2]" 1
322 1 20 ILE HA 1 23 VAL MG1 . . 6.780 3.520 2.931 4.154 . 0 0 "[ . 1 . 2]" 1
323 1 20 ILE HA 1 23 VAL MG2 . . 5.410 3.563 3.161 4.170 . 0 0 "[ . 1 . 2]" 1
324 1 20 ILE HB 1 21 LYS H . . 3.520 2.842 2.400 3.239 . 0 0 "[ . 1 . 2]" 1
325 1 20 ILE HB 1 34 LEU H . . 6.000 6.057 5.795 6.242 0.242 4 0 "[ . 1 . 2]" 1
326 1 20 ILE MD 1 21 LYS H . . 5.620 4.068 3.629 4.297 . 0 0 "[ . 1 . 2]" 1
327 1 20 ILE MD 1 23 VAL MG1 . . 7.050 4.351 3.826 4.801 . 0 0 "[ . 1 . 2]" 1
328 1 20 ILE MD 1 23 VAL MG2 . . 6.800 3.970 3.220 4.482 . 0 0 "[ . 1 . 2]" 1
329 1 20 ILE MD 1 24 ALA MB . . 8.060 5.379 5.252 5.543 . 0 0 "[ . 1 . 2]" 1
330 1 20 ILE MD 1 34 LEU HB3 . . 6.630 4.040 3.344 4.873 . 0 0 "[ . 1 . 2]" 1
331 1 20 ILE MD 1 34 LEU MD1 . . 6.870 2.612 1.814 4.256 . 0 0 "[ . 1 . 2]" 1
332 1 20 ILE MD 1 34 LEU MD2 . . 6.290 2.728 1.797 3.734 . 0 0 "[ . 1 . 2]" 1
333 1 20 ILE HG12 1 21 LYS H . . 6.000 4.291 3.605 5.584 . 0 0 "[ . 1 . 2]" 1
334 1 20 ILE HG13 1 21 LYS H . . 6.000 5.016 4.803 5.229 . 0 0 "[ . 1 . 2]" 1
335 1 20 ILE MG 1 21 LYS H . . 4.830 3.780 3.145 4.101 . 0 0 "[ . 1 . 2]" 1
336 1 20 ILE MG 1 21 LYS HA . . 6.160 3.922 3.188 4.429 . 0 0 "[ . 1 . 2]" 1
337 1 20 ILE MG 1 23 VAL MG2 . . 7.590 4.600 3.911 5.074 . 0 0 "[ . 1 . 2]" 1
338 1 20 ILE MG 1 24 ALA H . . 6.490 3.832 3.094 4.406 . 0 0 "[ . 1 . 2]" 1
339 1 20 ILE MG 1 32 PRO HG2 . . 5.230 2.435 1.891 3.250 . 0 0 "[ . 1 . 2]" 1
340 1 20 ILE MG 1 32 PRO HG3 . . 5.480 3.173 2.558 3.654 . 0 0 "[ . 1 . 2]" 1
341 1 20 ILE MG 1 34 LEU MD1 . . 7.840 2.721 1.656 4.115 . 0 0 "[ . 1 . 2]" 1
342 1 20 ILE MG 1 34 LEU MD2 . . 7.230 2.664 1.668 4.202 . 0 0 "[ . 1 . 2]" 1
343 1 20 ILE MG 1 50 MET ME . . 6.690 4.246 2.439 4.598 . 0 0 "[ . 1 . 2]" 1
344 1 20 ILE MG 1 52 PHE QD . . 7.420 4.367 3.194 5.227 . 0 0 "[ . 1 . 2]" 1
345 1 21 LYS H 1 21 LYS QD . . 4.970 3.545 2.104 4.466 . 0 0 "[ . 1 . 2]" 1
346 1 21 LYS H 1 21 LYS QE . . 6.880 4.361 2.461 5.447 . 0 0 "[ . 1 . 2]" 1
347 1 21 LYS H 1 21 LYS HG2 . . 3.880 3.437 1.948 4.134 0.254 12 0 "[ . 1 . 2]" 1
348 1 21 LYS H 1 21 LYS HG3 . . 3.980 2.729 1.995 3.580 . 0 0 "[ . 1 . 2]" 1
349 1 21 LYS H 1 22 LYS H . . 3.190 2.632 2.395 2.812 . 0 0 "[ . 1 . 2]" 1
350 1 21 LYS HA 1 21 LYS QD . . 4.970 3.824 2.179 4.590 . 0 0 "[ . 1 . 2]" 1
351 1 21 LYS HA 1 21 LYS HG2 . . 3.440 2.686 2.119 3.609 0.169 2 0 "[ . 1 . 2]" 1
352 1 21 LYS HA 1 21 LYS HG3 . . 4.380 2.886 2.062 3.936 . 0 0 "[ . 1 . 2]" 1
353 1 21 LYS HA 1 22 LYS H . . 4.380 3.579 3.495 3.632 . 0 0 "[ . 1 . 2]" 1
354 1 21 LYS HA 1 24 ALA MB . . 4.150 2.629 1.999 3.235 . 0 0 "[ . 1 . 2]" 1
355 1 21 LYS QB 1 22 LYS H . . 4.540 2.875 2.505 3.751 . 0 0 "[ . 1 . 2]" 1
356 1 21 LYS QD 1 22 LYS H . . 6.770 4.826 4.274 5.560 . 0 0 "[ . 1 . 2]" 1
357 1 21 LYS HG2 1 22 LYS H . . 5.750 4.857 2.424 5.411 . 0 0 "[ . 1 . 2]" 1
358 1 21 LYS HG3 1 22 LYS H . . 6.000 4.534 3.213 5.078 . 0 0 "[ . 1 . 2]" 1
359 1 22 LYS H 1 22 LYS QE . . 6.880 5.018 4.037 6.032 . 0 0 "[ . 1 . 2]" 1
360 1 22 LYS H 1 22 LYS HG2 . . 3.910 3.858 2.382 4.343 0.433 10 0 "[ . 1 . 2]" 1
361 1 22 LYS H 1 22 LYS HG3 . . 4.420 3.576 2.157 4.312 . 0 0 "[ . 1 . 2]" 1
362 1 22 LYS H 1 23 VAL H . . 3.190 2.584 2.422 2.852 . 0 0 "[ . 1 . 2]" 1
363 1 22 LYS H 1 24 ALA H . . 5.460 3.953 3.553 4.618 . 0 0 "[ . 1 . 2]" 1
364 1 22 LYS HA 1 22 LYS HG2 . . 3.800 2.836 1.988 4.168 0.368 8 0 "[ . 1 . 2]" 1
365 1 22 LYS HA 1 22 LYS HG3 . . 3.730 2.911 2.539 3.547 . 0 0 "[ . 1 . 2]" 1
366 1 22 LYS HA 1 23 VAL H . . 3.980 3.604 3.523 3.627 . 0 0 "[ . 1 . 2]" 1
367 1 22 LYS HA 1 25 GLN H . . 3.770 3.342 3.072 3.766 . 0 0 "[ . 1 . 2]" 1
368 1 22 LYS HA 1 25 GLN QB . . 6.120 2.429 1.964 3.901 . 0 0 "[ . 1 . 2]" 1
369 1 22 LYS QB 1 23 VAL H . . 4.900 2.849 2.533 3.678 . 0 0 "[ . 1 . 2]" 1
370 1 22 LYS QD 1 23 VAL H . . 6.880 4.715 3.779 5.284 . 0 0 "[ . 1 . 2]" 1
371 1 22 LYS QE 1 23 VAL H . . 6.880 5.065 2.845 6.129 . 0 0 "[ . 1 . 2]" 1
372 1 22 LYS HG2 1 23 VAL H . . 4.920 4.258 3.035 5.142 0.222 9 0 "[ . 1 . 2]" 1
373 1 22 LYS HG3 1 23 VAL H . . 5.350 4.273 1.937 5.372 0.022 17 0 "[ . 1 . 2]" 1
374 1 23 VAL H 1 23 VAL HB . . 3.120 2.108 2.026 2.233 . 0 0 "[ . 1 . 2]" 1
375 1 23 VAL H 1 23 VAL MG2 . . 3.640 2.712 2.292 2.999 . 0 0 "[ . 1 . 2]" 1
376 1 23 VAL H 1 24 ALA H . . 2.980 2.642 2.204 2.949 . 0 0 "[ . 1 . 2]" 1
377 1 23 VAL HA 1 24 ALA H . . 4.090 3.590 3.510 3.641 . 0 0 "[ . 1 . 2]" 1
378 1 23 VAL HA 1 25 GLN H . . 4.700 4.553 4.219 4.708 0.008 17 0 "[ . 1 . 2]" 1
379 1 23 VAL HA 1 26 GLU H . . 3.800 3.554 3.364 3.762 . 0 0 "[ . 1 . 2]" 1
380 1 23 VAL HA 1 26 GLU HB2 . . 3.950 3.158 2.403 3.874 . 0 0 "[ . 1 . 2]" 1
381 1 23 VAL HA 1 26 GLU HB3 . . 3.770 3.716 3.232 4.142 0.372 11 0 "[ . 1 . 2]" 1
382 1 23 VAL HA 1 27 ASN H . . 6.000 5.057 4.516 5.324 . 0 0 "[ . 1 . 2]" 1
383 1 23 VAL HA 1 27 ASN HB2 . . 6.000 5.571 5.326 6.081 0.081 19 0 "[ . 1 . 2]" 1
384 1 23 VAL HB 1 24 ALA H . . 3.480 2.903 2.401 3.270 . 0 0 "[ . 1 . 2]" 1
385 1 23 VAL HB 1 52 PHE QD . . 8.120 4.644 4.010 5.664 . 0 0 "[ . 1 . 2]" 1
386 1 23 VAL HB 1 52 PHE QE . . 8.120 5.354 3.023 7.413 . 0 0 "[ . 1 . 2]" 1
387 1 23 VAL MG1 1 24 ALA H . . 5.800 2.977 2.636 3.288 . 0 0 "[ . 1 . 2]" 1
388 1 23 VAL MG1 1 27 ASN HB3 . . 6.380 5.195 4.527 5.269 . 0 0 "[ . 1 . 2]" 1
389 1 23 VAL MG1 1 27 ASN HD21 . . 4.870 2.705 2.417 3.965 . 0 0 "[ . 1 . 2]" 1
390 1 23 VAL MG1 1 27 ASN HD22 . . 4.800 3.102 2.460 3.731 . 0 0 "[ . 1 . 2]" 1
391 1 23 VAL MG1 1 51 GLY H . . 7.030 5.732 5.643 5.829 . 0 0 "[ . 1 . 2]" 1
392 1 23 VAL MG1 1 52 PHE QD . . 7.600 2.404 1.883 3.322 . 0 0 "[ . 1 . 2]" 1
393 1 23 VAL MG1 1 52 PHE QE . . 7.310 2.770 1.973 4.753 . 0 0 "[ . 1 . 2]" 1
394 1 23 VAL MG2 1 24 ALA H . . 5.440 4.182 3.929 4.343 . 0 0 "[ . 1 . 2]" 1
395 1 23 VAL MG2 1 52 PHE QD . . 9.150 4.170 3.688 5.555 . 0 0 "[ . 1 . 2]" 1
396 1 23 VAL MG2 1 52 PHE QE . . 9.150 4.042 2.835 6.864 . 0 0 "[ . 1 . 2]" 1
397 1 24 ALA H 1 25 GLN H . . 3.120 2.556 2.419 2.864 . 0 0 "[ . 1 . 2]" 1
398 1 24 ALA HA 1 25 GLN H . . 5.140 3.608 3.554 3.631 . 0 0 "[ . 1 . 2]" 1
399 1 24 ALA HA 1 26 GLU H . . 4.520 4.031 3.591 4.371 . 0 0 "[ . 1 . 2]" 1
400 1 24 ALA HA 1 27 ASN H . . 5.350 3.235 2.898 3.563 . 0 0 "[ . 1 . 2]" 1
401 1 24 ALA HA 1 27 ASN HB2 . . 4.060 2.439 2.159 2.964 . 0 0 "[ . 1 . 2]" 1
402 1 24 ALA HA 1 27 ASN HB3 . . 5.280 3.965 3.709 4.428 . 0 0 "[ . 1 . 2]" 1
403 1 24 ALA HA 1 29 ILE H . . 4.490 3.475 3.068 4.068 . 0 0 "[ . 1 . 2]" 1
404 1 24 ALA HA 1 29 ILE HB . . 3.950 2.564 2.255 2.882 . 0 0 "[ . 1 . 2]" 1
405 1 24 ALA HA 1 29 ILE MD . . 5.080 2.915 2.351 3.807 . 0 0 "[ . 1 . 2]" 1
406 1 24 ALA HA 1 29 ILE MG . . 5.120 3.801 3.308 4.252 . 0 0 "[ . 1 . 2]" 1
407 1 24 ALA HA 1 52 PHE QD . . 8.120 4.947 4.058 5.691 . 0 0 "[ . 1 . 2]" 1
408 1 24 ALA HA 1 52 PHE QE . . 8.120 5.483 2.018 6.227 . 0 0 "[ . 1 . 2]" 1
409 1 24 ALA MB 1 25 GLN H . . 3.930 2.611 2.387 2.830 . 0 0 "[ . 1 . 2]" 1
410 1 24 ALA MB 1 26 GLU H . . 5.520 4.390 4.078 4.642 . 0 0 "[ . 1 . 2]" 1
411 1 24 ALA MB 1 29 ILE H . . 5.010 3.247 2.791 3.909 . 0 0 "[ . 1 . 2]" 1
412 1 24 ALA MB 1 29 ILE HB . . 5.410 2.138 1.946 2.617 . 0 0 "[ . 1 . 2]" 1
413 1 24 ALA MB 1 29 ILE MD . . 8.020 3.222 2.232 3.999 . 0 0 "[ . 1 . 2]" 1
414 1 24 ALA MB 1 29 ILE MG . . 6.470 2.464 2.010 3.084 . 0 0 "[ . 1 . 2]" 1
415 1 24 ALA MB 1 32 PRO HA . . 4.980 3.721 3.336 3.952 . 0 0 "[ . 1 . 2]" 1
416 1 24 ALA MB 1 32 PRO HB2 . . 5.620 3.088 2.873 3.409 . 0 0 "[ . 1 . 2]" 1
417 1 24 ALA MB 1 32 PRO HB3 . . 4.870 2.016 1.770 2.308 . 0 0 "[ . 1 . 2]" 1
418 1 24 ALA MB 1 32 PRO HD3 . . 6.200 3.079 2.833 3.371 . 0 0 "[ . 1 . 2]" 1
419 1 24 ALA MB 1 32 PRO HG2 . . 4.540 3.108 3.013 3.354 . 0 0 "[ . 1 . 2]" 1
420 1 24 ALA MB 1 32 PRO HG3 . . 4.470 1.853 1.758 2.014 . 0 0 "[ . 1 . 2]" 1
421 1 24 ALA MB 1 52 PHE QD . . 8.210 4.926 3.632 5.500 . 0 0 "[ . 1 . 2]" 1
422 1 24 ALA MB 1 52 PHE QE . . 8.470 5.767 2.793 6.421 . 0 0 "[ . 1 . 2]" 1
423 1 25 GLN H 1 25 GLN HG2 . . 3.770 3.536 2.318 4.188 0.418 12 0 "[ . 1 . 2]" 1
424 1 25 GLN H 1 25 GLN HG3 . . 4.060 3.094 2.072 3.777 . 0 0 "[ . 1 . 2]" 1
425 1 25 GLN H 1 26 GLU H . . 3.120 2.748 2.592 2.895 . 0 0 "[ . 1 . 2]" 1
426 1 25 GLN H 1 27 ASN H . . 4.520 3.925 3.829 4.126 . 0 0 "[ . 1 . 2]" 1
427 1 25 GLN HA 1 25 GLN HG2 . . 3.520 2.558 1.961 4.231 0.711 17 3 "[ * . - 1 . + 2]" 1
428 1 25 GLN HA 1 25 GLN HG3 . . 4.060 3.084 2.433 3.661 . 0 0 "[ . 1 . 2]" 1
429 1 25 GLN HA 1 26 GLU H . . 3.480 3.556 3.446 3.620 0.140 16 0 "[ . 1 . 2]" 1
430 1 25 GLN HA 1 28 ASN H . . 3.620 3.311 2.950 3.627 0.007 5 0 "[ . 1 . 2]" 1
431 1 25 GLN HA 1 29 ILE H . . 3.910 3.524 2.950 3.954 0.044 19 0 "[ . 1 . 2]" 1
432 1 25 GLN QB 1 26 GLU H . . 4.610 3.027 2.665 3.768 . 0 0 "[ . 1 . 2]" 1
433 1 25 GLN HG2 1 26 GLU H . . 4.670 4.778 2.893 5.247 0.577 20 2 "[- . 1 . +]" 1
434 1 25 GLN HG3 1 26 GLU H . . 5.210 4.548 2.238 5.342 0.132 18 0 "[ . 1 . 2]" 1
435 1 26 GLU H 1 26 GLU HB2 . . 3.370 2.180 2.060 2.283 . 0 0 "[ . 1 . 2]" 1
436 1 26 GLU H 1 26 GLU HB3 . . 3.230 3.003 2.727 3.339 0.109 17 0 "[ . 1 . 2]" 1
437 1 26 GLU H 1 26 GLU HG2 . . 4.560 4.196 3.367 4.538 . 0 0 "[ . 1 . 2]" 1
438 1 26 GLU H 1 26 GLU HG3 . . 4.420 4.087 3.555 4.421 0.001 3 0 "[ . 1 . 2]" 1
439 1 26 GLU H 1 27 ASN H . . 3.080 2.478 2.205 2.622 . 0 0 "[ . 1 . 2]" 1
440 1 26 GLU H 1 28 ASN H . . 4.920 3.908 3.648 4.100 . 0 0 "[ . 1 . 2]" 1
441 1 26 GLU HA 1 26 GLU HG2 . . 4.340 2.192 1.984 2.570 . 0 0 "[ . 1 . 2]" 1
442 1 26 GLU HA 1 27 ASN H . . 3.550 3.391 3.297 3.495 . 0 0 "[ . 1 . 2]" 1
443 1 26 GLU HB2 1 27 ASN H . . 4.060 3.929 3.625 4.078 0.018 12 0 "[ . 1 . 2]" 1
444 1 26 GLU HB3 1 27 ASN H . . 3.840 3.613 3.242 3.993 0.153 2 0 "[ . 1 . 2]" 1
445 1 26 GLU HG2 1 27 ASN H . . 5.060 4.996 4.662 5.124 0.064 17 0 "[ . 1 . 2]" 1
446 1 26 GLU HG3 1 27 ASN H . . 6.000 5.558 5.304 5.776 . 0 0 "[ . 1 . 2]" 1
447 1 27 ASN H 1 27 ASN HB2 . . 3.440 2.412 2.275 2.762 . 0 0 "[ . 1 . 2]" 1
448 1 27 ASN H 1 27 ASN HB3 . . 3.620 3.557 3.448 3.668 0.048 14 0 "[ . 1 . 2]" 1
449 1 27 ASN H 1 27 ASN HD21 . . 3.770 3.393 2.859 3.781 0.011 16 0 "[ . 1 . 2]" 1
450 1 27 ASN H 1 27 ASN HD22 . . 6.000 4.630 3.406 5.047 . 0 0 "[ . 1 . 2]" 1
451 1 27 ASN H 1 28 ASN H . . 2.980 2.115 1.897 2.346 . 0 0 "[ . 1 . 2]" 1
452 1 27 ASN H 1 28 ASN HA . . 6.000 4.134 3.836 4.384 . 0 0 "[ . 1 . 2]" 1
453 1 27 ASN H 1 29 ILE H . . 4.060 3.136 2.928 3.429 . 0 0 "[ . 1 . 2]" 1
454 1 27 ASN H 1 29 ILE MD . . 7.030 4.450 3.918 5.247 . 0 0 "[ . 1 . 2]" 1
455 1 27 ASN HA 1 28 ASN H . . 4.160 3.258 3.150 3.423 . 0 0 "[ . 1 . 2]" 1
456 1 27 ASN HB2 1 28 ASN H . . 5.820 3.763 3.391 3.982 . 0 0 "[ . 1 . 2]" 1
457 1 27 ASN HB2 1 29 ILE MD . . 6.700 2.500 1.978 3.354 . 0 0 "[ . 1 . 2]" 1
458 1 27 ASN HB2 1 29 ILE HG13 . . 6.000 2.734 1.980 3.251 . 0 0 "[ . 1 . 2]" 1
459 1 27 ASN HB3 1 28 ASN H . . 5.600 4.224 3.996 4.511 . 0 0 "[ . 1 . 2]" 1
460 1 27 ASN HB3 1 29 ILE MD . . 5.910 2.245 1.949 2.874 . 0 0 "[ . 1 . 2]" 1
461 1 27 ASN HD21 1 28 ASN H . . 5.570 5.275 4.463 5.532 . 0 0 "[ . 1 . 2]" 1
462 1 28 ASN H 1 28 ASN HA . . 2.620 2.172 2.167 2.192 . 0 0 "[ . 1 . 2]" 1
463 1 28 ASN H 1 28 ASN HB2 . . 3.770 3.068 2.890 3.269 . 0 0 "[ . 1 . 2]" 1
464 1 28 ASN H 1 28 ASN HB3 . . 3.770 3.827 3.672 3.918 0.148 1 0 "[ . 1 . 2]" 1
465 1 28 ASN H 1 29 ILE H . . 3.080 2.699 2.369 2.962 . 0 0 "[ . 1 . 2]" 1
466 1 28 ASN H 1 29 ILE MG . . 7.030 5.858 5.678 5.949 . 0 0 "[ . 1 . 2]" 1
467 1 28 ASN HA 1 28 ASN HB2 . . 3.050 2.697 2.592 2.755 . 0 0 "[ . 1 . 2]" 1
468 1 28 ASN HA 1 28 ASN HB3 . . 2.900 3.026 3.002 3.059 0.159 12 0 "[ . 1 . 2]" 1
469 1 28 ASN HA 1 29 ILE H . . 3.050 2.929 2.811 3.054 0.004 4 0 "[ . 1 . 2]" 1
470 1 28 ASN HB2 1 29 ILE H . . 4.810 4.543 4.424 4.660 . 0 0 "[ . 1 . 2]" 1
471 1 28 ASN HB3 1 29 ILE H . . 4.740 4.188 4.066 4.283 . 0 0 "[ . 1 . 2]" 1
472 1 29 ILE H 1 29 ILE HB . . 2.940 2.367 2.215 2.570 . 0 0 "[ . 1 . 2]" 1
473 1 29 ILE H 1 29 ILE MD . . 5.520 3.805 3.452 4.175 . 0 0 "[ . 1 . 2]" 1
474 1 29 ILE H 1 29 ILE HG12 . . 3.950 3.870 3.501 4.001 0.051 6 0 "[ . 1 . 2]" 1
475 1 29 ILE H 1 29 ILE HG13 . . 3.340 2.718 2.250 3.174 . 0 0 "[ . 1 . 2]" 1
476 1 29 ILE H 1 29 ILE MG . . 4.690 3.694 3.520 3.798 . 0 0 "[ . 1 . 2]" 1
477 1 29 ILE H 1 30 GLU H . . 4.520 4.528 4.296 4.577 0.057 5 0 "[ . 1 . 2]" 1
478 1 29 ILE HA 1 29 ILE HG12 . . 4.450 2.483 2.194 2.715 . 0 0 "[ . 1 . 2]" 1
479 1 29 ILE HA 1 29 ILE HG13 . . 4.420 2.900 2.735 3.130 . 0 0 "[ . 1 . 2]" 1
480 1 29 ILE HA 1 30 GLU H . . 2.690 2.253 2.188 2.316 . 0 0 "[ . 1 . 2]" 1
481 1 29 ILE HA 1 31 ASN H . . 5.170 3.592 3.248 3.713 . 0 0 "[ . 1 . 2]" 1
482 1 29 ILE HB 1 30 GLU H . . 4.850 4.192 3.982 4.622 . 0 0 "[ . 1 . 2]" 1
483 1 29 ILE HB 1 32 PRO HG2 . . 5.530 5.768 5.171 6.442 0.912 4 2 "[ +.- 1 . 2]" 1
484 1 29 ILE MD 1 30 GLU H . . 6.130 4.931 4.762 5.114 . 0 0 "[ . 1 . 2]" 1
485 1 29 ILE MD 1 32 PRO HA . . 7.030 3.654 3.228 3.888 . 0 0 "[ . 1 . 2]" 1
486 1 29 ILE MD 1 52 PHE HB2 . . 6.920 3.516 3.125 4.537 . 0 0 "[ . 1 . 2]" 1
487 1 29 ILE MD 1 52 PHE HB3 . . 6.780 4.131 3.380 4.677 . 0 0 "[ . 1 . 2]" 1
488 1 29 ILE MD 1 52 PHE QD . . 9.150 3.227 2.285 3.926 . 0 0 "[ . 1 . 2]" 1
489 1 29 ILE MD 1 52 PHE QE . . 9.150 3.883 2.333 4.529 . 0 0 "[ . 1 . 2]" 1
490 1 29 ILE HG12 1 30 GLU H . . 5.030 4.207 3.948 4.584 . 0 0 "[ . 1 . 2]" 1
491 1 29 ILE HG13 1 30 GLU H . . 6.000 4.969 4.823 5.143 . 0 0 "[ . 1 . 2]" 1
492 1 29 ILE MG 1 30 GLU H . . 4.290 2.404 2.014 3.298 . 0 0 "[ . 1 . 2]" 1
493 1 29 ILE MG 1 31 ASN H . . 5.080 1.759 1.702 1.882 . 0 0 "[ . 1 . 2]" 1
494 1 29 ILE MG 1 32 PRO HA . . 4.510 2.519 1.958 2.788 . 0 0 "[ . 1 . 2]" 1
495 1 29 ILE MG 1 32 PRO HB2 . . 5.080 4.054 3.532 4.478 . 0 0 "[ . 1 . 2]" 1
496 1 29 ILE MG 1 32 PRO HB3 . . 5.620 2.809 2.335 3.266 . 0 0 "[ . 1 . 2]" 1
497 1 29 ILE MG 1 32 PRO HG2 . . 6.740 4.287 3.862 4.721 . 0 0 "[ . 1 . 2]" 1
498 1 29 ILE MG 1 32 PRO HG3 . . 6.450 3.282 2.892 3.806 . 0 0 "[ . 1 . 2]" 1
499 1 29 ILE MG 1 33 ILE H . . 5.480 4.159 3.533 4.522 . 0 0 "[ . 1 . 2]" 1
500 1 29 ILE MG 1 52 PHE HB2 . . 6.200 4.450 3.670 5.212 . 0 0 "[ . 1 . 2]" 1
501 1 29 ILE MG 1 52 PHE HB3 . . 6.520 4.968 4.082 5.310 . 0 0 "[ . 1 . 2]" 1
502 1 29 ILE MG 1 52 PHE QD . . 8.610 4.737 3.123 5.720 . 0 0 "[ . 1 . 2]" 1
503 1 29 ILE MG 1 52 PHE QE . . 9.150 5.875 2.353 6.820 . 0 0 "[ . 1 . 2]" 1
504 1 30 GLU H 1 30 GLU HB2 . . 3.080 2.417 2.092 2.596 . 0 0 "[ . 1 . 2]" 1
505 1 30 GLU H 1 30 GLU HB3 . . 3.370 3.230 3.172 3.312 . 0 0 "[ . 1 . 2]" 1
506 1 30 GLU H 1 30 GLU HG2 . . 4.960 4.685 4.233 4.786 . 0 0 "[ . 1 . 2]" 1
507 1 30 GLU H 1 30 GLU HG3 . . 4.200 4.082 3.727 4.204 0.004 20 0 "[ . 1 . 2]" 1
508 1 30 GLU H 1 31 ASN H . . 3.410 2.168 1.916 2.612 . 0 0 "[ . 1 . 2]" 1
509 1 30 GLU H 1 68 VAL MG2 . . 7.030 6.935 6.531 7.471 0.441 12 0 "[ . 1 . 2]" 1
510 1 30 GLU HA 1 31 ASN H . . 3.080 3.231 3.193 3.258 0.178 16 0 "[ . 1 . 2]" 1
511 1 30 GLU HB2 1 31 ASN H . . 4.090 4.063 4.019 4.119 0.029 3 0 "[ . 1 . 2]" 1
512 1 30 GLU HB3 1 31 ASN H . . 4.020 3.995 3.946 4.044 0.024 3 0 "[ . 1 . 2]" 1
513 1 30 GLU HG2 1 31 ASN H . . 6.000 5.351 5.116 5.491 . 0 0 "[ . 1 . 2]" 1
514 1 30 GLU HG3 1 31 ASN H . . 6.000 5.192 5.081 5.461 . 0 0 "[ . 1 . 2]" 1
515 1 31 ASN H 1 31 ASN HB2 . . 3.590 3.337 2.749 3.755 0.165 11 0 "[ . 1 . 2]" 1
516 1 31 ASN H 1 31 ASN HB3 . . 3.730 3.409 2.892 3.710 . 0 0 "[ . 1 . 2]" 1
517 1 31 ASN H 1 32 PRO HD2 . . 4.200 3.843 3.785 4.037 . 0 0 "[ . 1 . 2]" 1
518 1 31 ASN H 1 32 PRO HD3 . . 3.910 2.561 2.487 2.811 . 0 0 "[ . 1 . 2]" 1
519 1 31 ASN HA 1 32 PRO HD2 . . 4.420 2.402 2.330 2.422 . 0 0 "[ . 1 . 2]" 1
520 1 31 ASN HA 1 32 PRO HD3 . . 4.020 2.664 2.540 2.697 . 0 0 "[ . 1 . 2]" 1
521 1 31 ASN HA 1 69 LYS H . . 5.210 4.325 3.800 5.208 . 0 0 "[ . 1 . 2]" 1
522 1 31 ASN HB2 1 32 PRO HD2 . . 6.000 4.870 4.656 5.122 . 0 0 "[ . 1 . 2]" 1
523 1 32 PRO HA 1 33 ILE H . . 2.870 2.207 2.149 2.388 . 0 0 "[ . 1 . 2]" 1
524 1 32 PRO HB2 1 33 ILE H . . 3.910 3.562 2.830 3.989 0.079 3 0 "[ . 1 . 2]" 1
525 1 32 PRO HB3 1 33 ILE H . . 4.200 3.924 3.459 4.227 0.027 3 0 "[ . 1 . 2]" 1
526 1 32 PRO HD2 1 33 ILE H . . 6.000 5.430 5.302 5.518 . 0 0 "[ . 1 . 2]" 1
527 1 32 PRO HD2 1 68 VAL MG2 . . 5.730 2.547 2.047 3.157 . 0 0 "[ . 1 . 2]" 1
528 1 32 PRO HD3 1 33 ILE H . . 5.710 5.723 5.595 5.807 0.097 8 0 "[ . 1 . 2]" 1
529 1 32 PRO HG2 1 33 ILE H . . 6.000 5.259 4.821 5.452 . 0 0 "[ . 1 . 2]" 1
530 1 32 PRO HG2 1 68 VAL HA . . 4.670 3.891 3.206 4.521 . 0 0 "[ . 1 . 2]" 1
531 1 32 PRO HG2 1 68 VAL MG1 . . 5.880 2.022 1.838 2.347 . 0 0 "[ . 1 . 2]" 1
532 1 32 PRO HG2 1 68 VAL MG2 . . 5.800 2.434 1.941 3.214 . 0 0 "[ . 1 . 2]" 1
533 1 32 PRO HG2 1 69 LYS H . . 5.210 4.250 3.574 5.060 . 0 0 "[ . 1 . 2]" 1
534 1 32 PRO HG3 1 68 VAL MG1 . . 5.190 3.495 3.282 3.778 . 0 0 "[ . 1 . 2]" 1
535 1 32 PRO HG3 1 68 VAL MG2 . . 4.830 3.351 2.763 4.154 . 0 0 "[ . 1 . 2]" 1
536 1 33 ILE H 1 33 ILE HB . . 3.550 2.409 2.171 2.699 . 0 0 "[ . 1 . 2]" 1
537 1 33 ILE H 1 33 ILE MD . . 5.660 3.488 2.511 4.141 . 0 0 "[ . 1 . 2]" 1
538 1 33 ILE H 1 33 ILE HG13 . . 4.960 3.121 2.620 3.696 . 0 0 "[ . 1 . 2]" 1
539 1 33 ILE H 1 34 LEU H . . 5.100 4.157 3.938 4.350 . 0 0 "[ . 1 . 2]" 1
540 1 33 ILE HA 1 34 LEU H . . 3.160 2.214 2.177 2.248 . 0 0 "[ . 1 . 2]" 1
541 1 33 ILE HA 1 69 LYS H . . 4.160 3.533 3.218 3.932 . 0 0 "[ . 1 . 2]" 1
542 1 33 ILE HA 1 70 VAL HA . . 6.000 3.512 3.103 3.876 . 0 0 "[ . 1 . 2]" 1
543 1 33 ILE HA 1 71 VAL MG1 . . 7.030 3.956 3.652 4.320 . 0 0 "[ . 1 . 2]" 1
544 1 33 ILE HA 1 71 VAL MG2 . . 7.030 5.150 3.988 5.620 . 0 0 "[ . 1 . 2]" 1
545 1 33 ILE HB 1 34 LEU H . . 5.140 4.568 4.328 4.639 . 0 0 "[ . 1 . 2]" 1
546 1 33 ILE HB 1 53 ASP H . . 4.740 3.264 2.433 4.582 . 0 0 "[ . 1 . 2]" 1
547 1 33 ILE MD 1 34 LEU H . . 7.030 5.404 5.070 5.576 . 0 0 "[ . 1 . 2]" 1
548 1 33 ILE MD 1 53 ASP H . . 7.030 4.681 3.988 5.723 . 0 0 "[ . 1 . 2]" 1
549 1 33 ILE MD 1 55 THR H . . 7.030 3.997 2.160 5.706 . 0 0 "[ . 1 . 2]" 1
550 1 33 ILE MD 1 55 THR HA . . 5.440 3.444 2.395 4.564 . 0 0 "[ . 1 . 2]" 1
551 1 33 ILE MD 1 55 THR MG . . 6.900 4.596 4.178 4.746 . 0 0 "[ . 1 . 2]" 1
552 1 33 ILE MD 1 56 VAL H . . 6.560 4.202 3.193 5.289 . 0 0 "[ . 1 . 2]" 1
553 1 33 ILE MD 1 69 LYS H . . 6.310 5.200 4.772 5.318 . 0 0 "[ . 1 . 2]" 1
554 1 33 ILE MD 1 69 LYS HB2 . . 6.130 4.036 3.242 4.869 . 0 0 "[ . 1 . 2]" 1
555 1 33 ILE MD 1 69 LYS HB3 . . 6.270 3.702 3.378 5.121 . 0 0 "[ . 1 . 2]" 1
556 1 33 ILE MD 1 69 LYS HG3 . . 6.880 5.281 4.091 6.223 . 0 0 "[ . 1 . 2]" 1
557 1 33 ILE HG12 1 34 LEU H . . 6.000 4.765 4.127 5.405 . 0 0 "[ . 1 . 2]" 1
558 1 33 ILE HG13 1 34 LEU H . . 6.000 4.694 4.254 5.030 . 0 0 "[ . 1 . 2]" 1
559 1 33 ILE HG13 1 70 VAL HA . . 5.750 5.629 4.993 6.269 0.519 11 1 "[ . 1+ . 2]" 1
560 1 33 ILE MG 1 34 LEU H . . 4.580 3.193 2.351 3.492 . 0 0 "[ . 1 . 2]" 1
561 1 33 ILE MG 1 35 ARG H . . 5.910 4.243 3.744 4.830 . 0 0 "[ . 1 . 2]" 1
562 1 33 ILE MG 1 52 PHE HA . . 5.880 4.402 3.665 4.816 . 0 0 "[ . 1 . 2]" 1
563 1 33 ILE MG 1 53 ASP H . . 6.670 3.326 2.553 4.270 . 0 0 "[ . 1 . 2]" 1
564 1 33 ILE MG 1 53 ASP QB . . 7.030 3.048 1.841 5.160 . 0 0 "[ . 1 . 2]" 1
565 1 33 ILE MG 1 69 LYS H . . 7.030 5.210 4.621 5.774 . 0 0 "[ . 1 . 2]" 1
566 1 33 ILE MG 1 69 LYS HB2 . . 6.600 4.664 3.710 5.370 . 0 0 "[ . 1 . 2]" 1
567 1 33 ILE MG 1 69 LYS HB3 . . 5.950 3.586 2.703 4.483 . 0 0 "[ . 1 . 2]" 1
568 1 33 ILE MG 1 69 LYS HG3 . . 7.030 5.755 5.009 6.618 . 0 0 "[ . 1 . 2]" 1
569 1 33 ILE MG 1 71 VAL H . . 7.030 3.797 3.290 4.295 . 0 0 "[ . 1 . 2]" 1
570 1 33 ILE MG 1 71 VAL HB . . 6.310 4.296 3.878 5.067 . 0 0 "[ . 1 . 2]" 1
571 1 33 ILE MG 1 71 VAL MG1 . . 6.180 2.033 1.681 2.743 . 0 0 "[ . 1 . 2]" 1
572 1 33 ILE MG 1 71 VAL MG2 . . 6.220 2.755 2.114 3.217 . 0 0 "[ . 1 . 2]" 1
573 1 34 LEU H 1 34 LEU HB2 . . 3.800 2.587 2.194 3.671 . 0 0 "[ . 1 . 2]" 1
574 1 34 LEU H 1 34 LEU HB3 . . 3.410 2.966 2.151 3.629 0.219 9 0 "[ . 1 . 2]" 1
575 1 34 LEU H 1 35 ARG H . . 4.700 4.479 4.371 4.578 . 0 0 "[ . 1 . 2]" 1
576 1 34 LEU H 1 69 LYS H . . 4.630 4.452 3.942 4.691 0.061 3 0 "[ . 1 . 2]" 1
577 1 34 LEU H 1 69 LYS QD . . 6.880 6.049 5.648 6.207 . 0 0 "[ . 1 . 2]" 1
578 1 34 LEU H 1 70 VAL H . . 5.710 4.818 4.320 5.360 . 0 0 "[ . 1 . 2]" 1
579 1 34 LEU H 1 70 VAL HA . . 3.700 2.477 1.983 3.060 . 0 0 "[ . 1 . 2]" 1
580 1 34 LEU H 1 70 VAL MG2 . . 6.670 2.819 2.276 3.785 . 0 0 "[ . 1 . 2]" 1
581 1 34 LEU H 1 71 VAL H . . 4.850 4.111 3.474 4.711 . 0 0 "[ . 1 . 2]" 1
582 1 34 LEU H 1 71 VAL MG1 . . 5.980 4.177 3.450 4.750 . 0 0 "[ . 1 . 2]" 1
583 1 34 LEU H 1 71 VAL MG2 . . 7.030 4.779 3.688 5.343 . 0 0 "[ . 1 . 2]" 1
584 1 34 LEU HA 1 34 LEU MD1 . . 4.470 2.302 1.931 3.408 . 0 0 "[ . 1 . 2]" 1
585 1 34 LEU HA 1 34 LEU HG . . 4.270 3.358 2.372 4.251 . 0 0 "[ . 1 . 2]" 1
586 1 34 LEU HA 1 35 ARG H . . 3.120 2.210 2.176 2.355 . 0 0 "[ . 1 . 2]" 1
587 1 34 LEU HA 1 52 PHE HA . . 4.270 3.076 1.979 3.858 . 0 0 "[ . 1 . 2]" 1
588 1 34 LEU HA 1 53 ASP H . . 4.740 4.018 2.134 4.784 0.044 20 0 "[ . 1 . 2]" 1
589 1 34 LEU HB2 1 35 ARG H . . 5.240 4.260 2.879 4.562 . 0 0 "[ . 1 . 2]" 1
590 1 34 LEU HB2 1 70 VAL HA . . 6.000 3.978 2.269 5.727 . 0 0 "[ . 1 . 2]" 1
591 1 34 LEU HB3 1 35 ARG H . . 4.880 3.864 3.046 4.600 . 0 0 "[ . 1 . 2]" 1
592 1 34 LEU HB3 1 70 VAL HA . . 5.170 3.939 2.389 5.265 0.095 6 0 "[ . 1 . 2]" 1
593 1 34 LEU MD1 1 35 ARG H . . 4.900 3.270 1.943 4.083 . 0 0 "[ . 1 . 2]" 1
594 1 34 LEU MD1 1 50 MET HA . . 7.030 3.432 1.946 5.552 . 0 0 "[ . 1 . 2]" 1
595 1 34 LEU MD1 1 50 MET HB2 . . 5.730 3.466 1.883 6.157 0.427 14 0 "[ . 1 . 2]" 1
596 1 34 LEU MD1 1 50 MET HG2 . . 6.380 2.962 1.842 5.279 . 0 0 "[ . 1 . 2]" 1
597 1 34 LEU MD1 1 50 MET HG3 . . 5.160 3.268 1.941 5.292 0.132 14 0 "[ . 1 . 2]" 1
598 1 34 LEU MD1 1 51 GLY H . . 5.620 2.356 1.719 4.613 . 0 0 "[ . 1 . 2]" 1
599 1 34 LEU MD1 1 51 GLY HA2 . . 7.030 3.720 2.550 6.090 . 0 0 "[ . 1 . 2]" 1
600 1 34 LEU MD1 1 52 PHE H . . 7.030 4.048 2.044 5.735 . 0 0 "[ . 1 . 2]" 1
601 1 34 LEU MD1 1 52 PHE HA . . 5.700 3.537 1.794 4.571 . 0 0 "[ . 1 . 2]" 1
602 1 34 LEU MD1 1 52 PHE QD . . 9.150 4.182 2.285 5.117 . 0 0 "[ . 1 . 2]" 1
603 1 34 LEU MD1 1 52 PHE QE . . 9.150 5.682 2.650 6.798 . 0 0 "[ . 1 . 2]" 1
604 1 34 LEU MD1 1 53 ASP H . . 7.030 4.972 3.381 5.730 . 0 0 "[ . 1 . 2]" 1
605 1 34 LEU MD2 1 35 ARG H . . 6.420 4.449 2.742 5.285 . 0 0 "[ . 1 . 2]" 1
606 1 34 LEU MD2 1 50 MET HG2 . . 7.030 3.712 1.866 5.953 . 0 0 "[ . 1 . 2]" 1
607 1 34 LEU MD2 1 50 MET HG3 . . 7.030 4.173 1.783 5.886 . 0 0 "[ . 1 . 2]" 1
608 1 34 LEU HG 1 35 ARG H . . 5.420 4.323 2.800 5.632 0.212 4 0 "[ . 1 . 2]" 1
609 1 35 ARG H 1 35 ARG HB3 . . 3.700 2.599 2.347 2.955 . 0 0 "[ . 1 . 2]" 1
610 1 35 ARG H 1 36 ILE H . . 4.520 4.467 4.280 4.548 0.028 6 0 "[ . 1 . 2]" 1
611 1 35 ARG H 1 50 MET HA . . 4.850 4.346 3.760 5.030 0.180 17 0 "[ . 1 . 2]" 1
612 1 35 ARG H 1 51 GLY H . . 4.060 3.192 2.528 3.697 . 0 0 "[ . 1 . 2]" 1
613 1 35 ARG H 1 52 PHE HA . . 4.670 4.322 3.666 4.719 0.049 4 0 "[ . 1 . 2]" 1
614 1 35 ARG H 1 53 ASP H . . 4.960 4.599 3.869 4.959 . 0 0 "[ . 1 . 2]" 1
615 1 35 ARG HA 1 36 ILE H . . 3.050 2.292 2.226 2.406 . 0 0 "[ . 1 . 2]" 1
616 1 35 ARG HA 1 71 VAL H . . 3.980 2.633 2.144 3.289 . 0 0 "[ . 1 . 2]" 1
617 1 35 ARG HA 1 71 VAL MG1 . . 5.980 3.963 3.644 4.351 . 0 0 "[ . 1 . 2]" 1
618 1 35 ARG HA 1 71 VAL MG2 . . 5.050 2.083 1.819 2.673 . 0 0 "[ . 1 . 2]" 1
619 1 35 ARG HB2 1 71 VAL MG1 . . 5.620 4.352 3.792 4.699 . 0 0 "[ . 1 . 2]" 1
620 1 35 ARG QG 1 36 ILE H . . 6.000 2.928 1.951 3.954 . 0 0 "[ . 1 . 2]" 1
621 1 35 ARG QG 1 53 ASP QB . . 5.240 4.785 3.207 5.885 0.645 16 2 "[ . -1 .+ 2]" 1
622 1 36 ILE H 1 36 ILE HB . . 3.730 2.254 2.121 2.491 . 0 0 "[ . 1 . 2]" 1
623 1 36 ILE H 1 37 ARG H . . 5.100 4.413 4.220 4.594 . 0 0 "[ . 1 . 2]" 1
624 1 36 ILE H 1 71 VAL MG2 . . 5.010 3.410 3.034 4.025 . 0 0 "[ . 1 . 2]" 1
625 1 36 ILE H 1 72 ILE MD . . 7.030 4.581 3.972 5.532 . 0 0 "[ . 1 . 2]" 1
626 1 36 ILE HA 1 37 ARG H . . 2.940 2.196 2.177 2.291 . 0 0 "[ . 1 . 2]" 1
627 1 36 ILE HB 1 37 ARG H . . 5.820 4.502 4.207 4.661 . 0 0 "[ . 1 . 2]" 1
628 1 36 ILE HB 1 72 ILE MD . . 7.030 3.556 2.442 4.515 . 0 0 "[ . 1 . 2]" 1
629 1 36 ILE MD 1 37 ARG H . . 6.700 4.169 2.856 5.121 . 0 0 "[ . 1 . 2]" 1
630 1 36 ILE MD 1 50 MET HG2 . . 5.550 4.350 2.920 5.367 . 0 0 "[ . 1 . 2]" 1
631 1 36 ILE MD 1 51 GLY H . . 7.030 5.196 4.584 5.710 . 0 0 "[ . 1 . 2]" 1
632 1 36 ILE MD 1 72 ILE MD . . 7.660 3.616 2.297 5.364 . 0 0 "[ . 1 . 2]" 1
633 1 36 ILE HG12 1 37 ARG H . . 6.000 5.103 3.976 5.439 . 0 0 "[ . 1 . 2]" 1
634 1 36 ILE HG12 1 72 ILE MD . . 7.030 4.024 3.006 5.344 . 0 0 "[ . 1 . 2]" 1
635 1 36 ILE HG13 1 37 ARG H . . 5.240 4.330 2.266 5.504 0.264 10 0 "[ . 1 . 2]" 1
636 1 36 ILE MG 1 37 ARG H . . 4.440 3.013 2.314 3.486 . 0 0 "[ . 1 . 2]" 1
637 1 36 ILE MG 1 72 ILE MD . . 7.730 3.614 1.794 4.668 . 0 0 "[ . 1 . 2]" 1
638 1 36 ILE MG 1 77 MET ME . . 8.060 5.326 4.342 5.572 . 0 0 "[ . 1 . 2]" 1
639 1 37 ARG H 1 50 MET HA . . 4.810 4.731 4.312 4.856 0.046 20 0 "[ . 1 . 2]" 1
640 1 37 ARG H 1 72 ILE MG . . 6.560 5.172 4.704 5.333 . 0 0 "[ . 1 . 2]" 1
641 1 37 ARG HA 1 37 ARG QD . . 3.700 3.693 2.762 4.307 0.607 7 2 "[ . + 1 . - 2]" 1
642 1 37 ARG QB 1 49 ALA MB . . 7.150 4.822 3.983 5.235 . 0 0 "[ . 1 . 2]" 1
643 1 38 VAL HA 1 39 VAL H . . 3.230 2.240 2.183 2.404 . 0 0 "[ . 1 . 2]" 1
644 1 38 VAL HA 1 49 ALA H . . 5.240 4.811 4.095 5.287 0.047 1 0 "[ . 1 . 2]" 1
645 1 38 VAL HB 1 39 VAL H . . 5.240 4.094 3.602 4.347 . 0 0 "[ . 1 . 2]" 1
646 1 38 VAL MG1 1 39 VAL H . . 5.160 2.598 1.912 3.221 . 0 0 "[ . 1 . 2]" 1
647 1 38 VAL MG1 1 46 PHE HB2 . . 7.030 4.774 2.267 5.885 . 0 0 "[ . 1 . 2]" 1
648 1 38 VAL MG1 1 46 PHE HB3 . . 7.030 4.853 1.957 5.867 . 0 0 "[ . 1 . 2]" 1
649 1 38 VAL MG1 1 47 GLN HA . . 7.030 5.279 4.682 5.733 . 0 0 "[ . 1 . 2]" 1
650 1 38 VAL MG1 1 48 TYR QD . . 8.300 3.826 2.378 4.513 . 0 0 "[ . 1 . 2]" 1
651 1 38 VAL MG1 1 48 TYR QE . . 9.160 3.411 1.978 6.324 . 0 0 "[ . 1 . 2]" 1
652 1 38 VAL MG1 1 76 SER HA . . 7.030 4.957 4.400 5.464 . 0 0 "[ . 1 . 2]" 1
653 1 38 VAL MG2 1 39 VAL H . . 5.880 4.188 3.878 4.371 . 0 0 "[ . 1 . 2]" 1
654 1 38 VAL MG2 1 48 TYR QD . . 8.450 2.905 2.099 3.791 . 0 0 "[ . 1 . 2]" 1
655 1 38 VAL MG2 1 48 TYR QE . . 6.860 2.380 1.764 4.895 . 0 0 "[ . 1 . 2]" 1
656 1 38 VAL MG2 1 76 SER HA . . 6.060 2.821 2.247 3.084 . 0 0 "[ . 1 . 2]" 1
657 1 38 VAL MG2 1 76 SER HB2 . . 6.060 2.994 1.949 4.276 . 0 0 "[ . 1 . 2]" 1
658 1 38 VAL MG2 1 77 MET H . . 6.700 5.459 4.810 5.656 . 0 0 "[ . 1 . 2]" 1
659 1 38 VAL MG2 1 79 TYR H . . 6.240 5.033 4.379 5.292 . 0 0 "[ . 1 . 2]" 1
660 1 38 VAL MG2 1 79 TYR HB2 . . 5.590 3.459 2.932 3.946 . 0 0 "[ . 1 . 2]" 1
661 1 38 VAL MG2 1 79 TYR HB3 . . 5.700 3.142 2.262 3.615 . 0 0 "[ . 1 . 2]" 1
662 1 38 VAL MG2 1 79 TYR QD . . 9.170 2.855 1.945 3.998 . 0 0 "[ . 1 . 2]" 1
663 1 38 VAL MG2 1 79 TYR QE . . 8.690 3.690 2.923 4.781 . 0 0 "[ . 1 . 2]" 1
664 1 39 VAL H 1 39 VAL HB . . 3.800 2.864 2.239 3.798 . 0 0 "[ . 1 . 2]" 1
665 1 39 VAL HA 1 40 PRO QD . . 4.540 1.917 1.842 2.061 . 0 0 "[ . 1 . 2]" 1
666 1 39 VAL HB 1 40 PRO QD . . 5.800 3.986 2.675 4.379 . 0 0 "[ . 1 . 2]" 1
667 1 39 VAL MG1 1 40 PRO QD . . 7.150 3.220 1.918 4.100 . 0 0 "[ . 1 . 2]" 1
668 1 39 VAL MG1 1 47 GLN H . . 7.030 4.575 2.837 5.883 . 0 0 "[ . 1 . 2]" 1
669 1 39 VAL MG1 1 49 ALA H . . 7.030 3.522 1.967 5.310 . 0 0 "[ . 1 . 2]" 1
670 1 39 VAL MG1 1 49 ALA MB . . 7.340 3.064 1.926 4.393 . 0 0 "[ . 1 . 2]" 1
671 1 39 VAL MG2 1 40 PRO QD . . 7.900 3.142 1.761 4.114 . 0 0 "[ . 1 . 2]" 1
672 1 39 VAL MG2 1 49 ALA H . . 6.700 3.115 1.870 5.229 . 0 0 "[ . 1 . 2]" 1
673 1 39 VAL MG2 1 49 ALA MB . . 6.690 2.855 1.865 4.145 . 0 0 "[ . 1 . 2]" 1
674 1 40 PRO HA 1 41 GLY H . . 3.440 2.424 2.159 3.237 . 0 0 "[ . 1 . 2]" 1
675 1 40 PRO HB2 1 40 PRO HG3 . . 2.940 2.802 2.802 2.803 . 0 0 "[ . 1 . 2]" 1
676 1 40 PRO HB2 1 41 GLY H . . 5.420 4.224 2.676 4.453 . 0 0 "[ . 1 . 2]" 1
677 1 40 PRO HB3 1 41 GLY H . . 5.240 4.490 3.381 4.717 . 0 0 "[ . 1 . 2]" 1
678 1 40 PRO HG2 1 41 GLY H . . 6.000 5.234 3.883 5.465 . 0 0 "[ . 1 . 2]" 1
679 1 40 PRO HG3 1 41 GLY H . . 6.000 5.703 4.772 5.853 . 0 0 "[ . 1 . 2]" 1
680 1 41 GLY H 1 42 GLY H . . 5.100 3.270 1.968 4.372 . 0 0 "[ . 1 . 2]" 1
681 1 41 GLY H 1 46 PHE HA . . 5.390 3.664 2.333 5.040 . 0 0 "[ . 1 . 2]" 1
682 1 41 GLY H 1 47 GLN H . . 5.530 4.701 2.719 5.605 0.075 11 0 "[ . 1 . 2]" 1
683 1 41 GLY HA2 1 42 GLY H . . 3.910 3.027 2.210 3.646 . 0 0 "[ . 1 . 2]" 1
684 1 41 GLY HA3 1 42 GLY H . . 3.730 2.935 2.215 3.643 . 0 0 "[ . 1 . 2]" 1
685 1 43 CYS HA 1 44 SER H . . 5.390 3.577 3.411 3.636 . 0 0 "[ . 1 . 2]" 1
686 1 43 CYS QB 1 44 SER H . . 6.660 3.018 2.522 3.866 . 0 0 "[ . 1 . 2]" 1
687 1 43 CYS QB 1 44 SER HA . . 6.440 4.140 3.819 4.626 . 0 0 "[ . 1 . 2]" 1
688 1 44 SER H 1 45 GLY H . . 5.570 2.317 1.926 2.742 . 0 0 "[ . 1 . 2]" 1
689 1 44 SER HA 1 45 GLY H . . 4.420 3.567 3.152 3.624 . 0 0 "[ . 1 . 2]" 1
690 1 44 SER HB2 1 45 GLY H . . 5.820 3.304 2.668 4.278 . 0 0 "[ . 1 . 2]" 1
691 1 44 SER HB3 1 45 GLY H . . 6.000 3.281 2.533 4.039 . 0 0 "[ . 1 . 2]" 1
692 1 45 GLY QA 1 46 PHE H . . 3.520 2.334 2.170 2.684 . 0 0 "[ . 1 . 2]" 1
693 1 45 GLY QA 1 47 GLN H . . 5.280 4.649 3.006 5.537 0.257 4 0 "[ . 1 . 2]" 1
694 1 46 PHE H 1 46 PHE HB3 . . 3.730 3.303 2.529 4.049 0.319 11 0 "[ . 1 . 2]" 1
695 1 46 PHE H 1 47 GLN H . . 4.380 3.856 2.050 4.411 0.031 9 0 "[ . 1 . 2]" 1
696 1 46 PHE HA 1 47 GLN H . . 3.550 2.400 2.199 3.643 0.093 19 0 "[ . 1 . 2]" 1
697 1 46 PHE HB2 1 47 GLN H . . 4.990 4.202 3.217 4.686 . 0 0 "[ . 1 . 2]" 1
698 1 46 PHE HB3 1 47 GLN H . . 4.600 4.144 2.064 4.683 0.083 15 0 "[ . 1 . 2]" 1
699 1 47 GLN QB 1 87 TYR HA . . 6.000 6.102 5.962 6.173 0.173 11 0 "[ . 1 . 2]" 1
700 1 48 TYR HA 1 49 ALA H . . 3.340 2.215 2.187 2.310 . 0 0 "[ . 1 . 2]" 1
701 1 48 TYR HB2 1 49 ALA H . . 6.000 4.160 3.141 4.560 . 0 0 "[ . 1 . 2]" 1
702 1 48 TYR HB3 1 49 ALA H . . 4.560 3.640 2.988 4.451 . 0 0 "[ . 1 . 2]" 1
703 1 48 TYR QD 1 79 TYR H . . 8.140 7.219 6.605 7.496 . 0 0 "[ . 1 . 2]" 1
704 1 48 TYR QD 1 80 VAL MG1 . . 8.300 3.112 1.900 3.810 . 0 0 "[ . 1 . 2]" 1
705 1 48 TYR QD 1 98 ILE MG . . 9.170 3.470 2.050 4.726 . 0 0 "[ . 1 . 2]" 1
706 1 48 TYR QE 1 80 VAL MG1 . . 7.720 2.236 1.860 2.578 . 0 0 "[ . 1 . 2]" 1
707 1 49 ALA H 1 50 MET H . . 5.570 4.604 4.462 4.630 . 0 0 "[ . 1 . 2]" 1
708 1 49 ALA HA 1 50 MET H . . 3.370 2.403 2.252 2.424 . 0 0 "[ . 1 . 2]" 1
709 1 49 ALA MB 1 50 MET H . . 5.050 2.664 2.546 3.038 . 0 0 "[ . 1 . 2]" 1
710 1 49 ALA MB 1 96 PHE HA . . 7.030 5.751 5.437 5.843 . 0 0 "[ . 1 . 2]" 1
711 1 50 MET HA 1 51 GLY H . . 3.260 2.537 2.318 2.626 . 0 0 "[ . 1 . 2]" 1
712 1 50 MET HB2 1 51 GLY H . . 4.520 3.478 2.362 4.112 . 0 0 "[ . 1 . 2]" 1
713 1 50 MET HB3 1 51 GLY H . . 4.990 2.870 2.206 3.983 . 0 0 "[ . 1 . 2]" 1
714 1 50 MET HG2 1 51 GLY H . . 6.000 3.817 1.931 5.366 . 0 0 "[ . 1 . 2]" 1
715 1 50 MET HG3 1 51 GLY H . . 6.000 3.965 2.478 4.970 . 0 0 "[ . 1 . 2]" 1
716 1 51 GLY H 1 52 PHE H . . 5.570 4.092 3.356 4.369 . 0 0 "[ . 1 . 2]" 1
717 1 51 GLY HA2 1 52 PHE H . . 3.620 2.387 2.199 2.731 . 0 0 "[ . 1 . 2]" 1
718 1 51 GLY HA3 1 52 PHE H . . 3.730 3.001 2.513 3.525 . 0 0 "[ . 1 . 2]" 1
719 1 52 PHE H 1 52 PHE HB2 . . 4.240 3.353 2.412 3.673 . 0 0 "[ . 1 . 2]" 1
720 1 52 PHE H 1 52 PHE HB3 . . 3.700 2.843 2.077 3.615 . 0 0 "[ . 1 . 2]" 1
721 1 52 PHE H 1 52 PHE QD . . 5.490 2.367 1.948 3.916 . 0 0 "[ . 1 . 2]" 1
722 1 52 PHE H 1 53 ASP H . . 5.320 4.399 3.911 4.588 . 0 0 "[ . 1 . 2]" 1
723 1 52 PHE HA 1 53 ASP H . . 3.010 2.207 2.193 2.262 . 0 0 "[ . 1 . 2]" 1
724 1 52 PHE HB2 1 53 ASP H . . 3.980 3.705 3.345 4.497 0.517 13 1 "[ . 1 + . 2]" 1
725 1 52 PHE HB3 1 53 ASP H . . 4.600 4.282 3.728 4.532 . 0 0 "[ . 1 . 2]" 1
726 1 52 PHE QD 1 53 ASP H . . 6.860 4.469 3.673 4.938 . 0 0 "[ . 1 . 2]" 1
727 1 53 ASP HA 1 54 ASP H . . 3.230 2.624 2.265 2.667 . 0 0 "[ . 1 . 2]" 1
728 1 53 ASP QB 1 54 ASP H . . 4.780 2.616 2.134 3.270 . 0 0 "[ . 1 . 2]" 1
729 1 54 ASP H 1 54 ASP HB2 . . 4.380 2.518 2.006 3.826 . 0 0 "[ . 1 . 2]" 1
730 1 54 ASP H 1 54 ASP HB3 . . 4.160 3.327 2.602 4.049 . 0 0 "[ . 1 . 2]" 1
731 1 54 ASP H 1 55 THR H . . 3.160 2.664 1.900 3.215 0.055 13 0 "[ . 1 . 2]" 1
732 1 54 ASP HA 1 55 THR H . . 4.670 3.247 2.350 3.645 . 0 0 "[ . 1 . 2]" 1
733 1 54 ASP HB2 1 55 THR H . . 6.000 3.581 2.606 4.718 . 0 0 "[ . 1 . 2]" 1
734 1 54 ASP HB3 1 55 THR H . . 5.240 3.610 2.574 4.703 . 0 0 "[ . 1 . 2]" 1
735 1 55 THR H 1 55 THR HB . . 3.730 3.123 2.055 3.671 . 0 0 "[ . 1 . 2]" 1
736 1 55 THR H 1 56 VAL H . . 4.810 4.389 4.234 4.673 . 0 0 "[ . 1 . 2]" 1
737 1 55 THR HA 1 56 VAL H . . 2.620 2.550 2.293 2.719 0.099 13 0 "[ . 1 . 2]" 1
738 1 55 THR HA 1 56 VAL MG2 . . 6.740 4.604 4.017 5.429 . 0 0 "[ . 1 . 2]" 1
739 1 55 THR HB 1 56 VAL H . . 4.020 3.877 3.677 4.101 0.081 9 0 "[ . 1 . 2]" 1
740 1 55 THR MG 1 56 VAL H . . 4.470 2.820 1.827 3.687 . 0 0 "[ . 1 . 2]" 1
741 1 55 THR MG 1 57 GLU H . . 7.030 4.834 4.341 5.371 . 0 0 "[ . 1 . 2]" 1
742 1 55 THR MG 1 57 GLU HG2 . . 6.560 4.561 3.570 5.293 . 0 0 "[ . 1 . 2]" 1
743 1 55 THR MG 1 57 GLU HG3 . . 7.030 5.502 4.635 5.795 . 0 0 "[ . 1 . 2]" 1
744 1 56 VAL H 1 56 VAL HB . . 3.050 2.316 2.004 2.635 . 0 0 "[ . 1 . 2]" 1
745 1 56 VAL H 1 56 VAL MG2 . . 4.290 3.500 2.971 3.758 . 0 0 "[ . 1 . 2]" 1
746 1 56 VAL H 1 57 GLU H . . 4.810 4.553 4.401 4.639 . 0 0 "[ . 1 . 2]" 1
747 1 56 VAL HA 1 57 GLU H . . 2.760 2.382 2.363 2.392 . 0 0 "[ . 1 . 2]" 1
748 1 56 VAL HB 1 57 GLU H . . 4.130 4.173 4.070 4.224 0.094 13 0 "[ . 1 . 2]" 1
749 1 56 VAL MG1 1 57 GLU H . . 4.360 2.484 1.986 3.424 . 0 0 "[ . 1 . 2]" 1
750 1 56 VAL MG1 1 57 GLU HA . . 7.030 3.669 3.336 4.125 . 0 0 "[ . 1 . 2]" 1
751 1 56 VAL MG1 1 60 ASP H . . 5.410 3.963 3.269 4.395 . 0 0 "[ . 1 . 2]" 1
752 1 56 VAL MG1 1 60 ASP HB3 . . 5.950 4.085 2.835 4.687 . 0 0 "[ . 1 . 2]" 1
753 1 56 VAL MG2 1 57 GLU H . . 4.510 2.778 2.097 3.256 . 0 0 "[ . 1 . 2]" 1
754 1 56 VAL MG2 1 60 ASP H . . 6.130 4.527 3.280 5.031 . 0 0 "[ . 1 . 2]" 1
755 1 56 VAL MG2 1 69 LYS QE . . 7.900 4.507 3.411 5.642 . 0 0 "[ . 1 . 2]" 1
756 1 57 GLU H 1 57 GLU HB2 . . 3.340 2.690 2.599 2.844 . 0 0 "[ . 1 . 2]" 1
757 1 57 GLU H 1 57 GLU HB3 . . 3.880 3.621 3.563 3.760 . 0 0 "[ . 1 . 2]" 1
758 1 57 GLU H 1 57 GLU HG2 . . 4.270 2.587 2.008 3.387 . 0 0 "[ . 1 . 2]" 1
759 1 57 GLU H 1 57 GLU HG3 . . 3.700 2.537 1.916 3.674 . 0 0 "[ . 1 . 2]" 1
760 1 57 GLU H 1 58 GLU H . . 4.780 4.569 4.491 4.608 . 0 0 "[ . 1 . 2]" 1
761 1 57 GLU H 1 60 ASP H . . 5.930 4.188 3.720 4.526 . 0 0 "[ . 1 . 2]" 1
762 1 57 GLU H 1 60 ASP HB2 . . 4.560 2.474 2.102 2.780 . 0 0 "[ . 1 . 2]" 1
763 1 57 GLU H 1 60 ASP HB3 . . 4.810 3.499 3.207 3.913 . 0 0 "[ . 1 . 2]" 1
764 1 57 GLU HA 1 57 GLU HG2 . . 3.660 2.735 2.550 3.315 . 0 0 "[ . 1 . 2]" 1
765 1 57 GLU HA 1 57 GLU HG3 . . 3.880 3.600 3.253 3.903 0.023 15 0 "[ . 1 . 2]" 1
766 1 57 GLU HA 1 58 GLU H . . 2.760 2.577 2.569 2.584 . 0 0 "[ . 1 . 2]" 1
767 1 57 GLU HA 1 58 GLU HA . . 4.990 4.292 4.282 4.299 . 0 0 "[ . 1 . 2]" 1
768 1 57 GLU HA 1 58 GLU HB2 . . 5.320 4.325 4.285 4.382 . 0 0 "[ . 1 . 2]" 1
769 1 57 GLU HA 1 58 GLU HB3 . . 5.710 5.344 5.120 5.626 . 0 0 "[ . 1 . 2]" 1
770 1 57 GLU HB2 1 58 GLU H . . 3.700 3.231 3.132 3.317 . 0 0 "[ . 1 . 2]" 1
771 1 57 GLU HB2 1 59 GLY HA2 . . 5.240 4.883 4.826 4.945 . 0 0 "[ . 1 . 2]" 1
772 1 57 GLU HB2 1 60 ASP H . . 4.850 3.437 3.103 3.653 . 0 0 "[ . 1 . 2]" 1
773 1 57 GLU HB3 1 57 GLU HG3 . . 2.580 2.909 2.518 3.056 0.476 19 0 "[ . 1 . 2]" 1
774 1 57 GLU HB3 1 58 GLU H . . 3.440 2.424 2.369 2.486 . 0 0 "[ . 1 . 2]" 1
775 1 57 GLU HB3 1 60 ASP H . . 5.170 5.003 4.600 5.195 0.025 15 0 "[ . 1 . 2]" 1
776 1 57 GLU HG2 1 58 GLU H . . 4.420 4.623 4.376 4.956 0.536 9 2 "[ . +1 - 2]" 1
777 1 57 GLU HG3 1 58 GLU H . . 5.750 4.994 4.916 5.062 . 0 0 "[ . 1 . 2]" 1
778 1 58 GLU H 1 58 GLU HB2 . . 2.800 2.298 2.124 2.487 . 0 0 "[ . 1 . 2]" 1
779 1 58 GLU H 1 58 GLU HB3 . . 3.120 2.846 2.630 3.166 0.046 2 0 "[ . 1 . 2]" 1
780 1 58 GLU H 1 58 GLU QG . . 5.080 3.912 3.581 4.067 . 0 0 "[ . 1 . 2]" 1
781 1 58 GLU H 1 59 GLY H . . 4.700 2.976 2.816 3.384 . 0 0 "[ . 1 . 2]" 1
782 1 58 GLU HA 1 58 GLU HB2 . . 2.940 2.696 2.582 2.862 . 0 0 "[ . 1 . 2]" 1
783 1 58 GLU HA 1 59 GLY H . . 2.940 2.982 2.742 3.102 0.162 20 0 "[ . 1 . 2]" 1
784 1 58 GLU HB2 1 59 GLY H . . 4.670 4.493 4.316 4.632 . 0 0 "[ . 1 . 2]" 1
785 1 58 GLU HB3 1 59 GLY H . . 4.450 4.170 4.043 4.364 . 0 0 "[ . 1 . 2]" 1
786 1 58 GLU QG 1 59 GLY H . . 5.760 4.518 4.359 4.701 . 0 0 "[ . 1 . 2]" 1
787 1 59 GLY H 1 60 ASP H . . 3.300 2.361 2.102 2.558 . 0 0 "[ . 1 . 2]" 1
788 1 59 GLY HA2 1 60 ASP H . . 3.840 2.677 2.504 2.883 . 0 0 "[ . 1 . 2]" 1
789 1 59 GLY HA3 1 60 ASP H . . 4.020 3.639 3.619 3.645 . 0 0 "[ . 1 . 2]" 1
790 1 60 ASP H 1 60 ASP HB2 . . 3.010 2.460 2.144 2.677 . 0 0 "[ . 1 . 2]" 1
791 1 60 ASP H 1 60 ASP HB3 . . 3.660 3.099 2.864 3.268 . 0 0 "[ . 1 . 2]" 1
792 1 60 ASP H 1 61 HIS H . . 5.320 4.442 4.313 4.566 . 0 0 "[ . 1 . 2]" 1
793 1 60 ASP HA 1 61 HIS H . . 3.230 2.355 2.264 2.581 . 0 0 "[ . 1 . 2]" 1
794 1 60 ASP HA 1 71 VAL MG2 . . 6.160 4.865 4.441 5.086 . 0 0 "[ . 1 . 2]" 1
795 1 60 ASP HA 1 74 PRO HD2 . . 5.350 5.796 5.684 5.852 0.502 20 2 "[ . 1 . -+]" 1
796 1 60 ASP HA 1 74 PRO HD3 . . 5.100 4.080 3.934 4.216 . 0 0 "[ . 1 . 2]" 1
797 1 60 ASP HB2 1 61 HIS H . . 5.460 4.361 4.002 4.552 . 0 0 "[ . 1 . 2]" 1
798 1 60 ASP HB2 1 71 VAL HB . . 6.000 3.628 3.100 4.151 . 0 0 "[ . 1 . 2]" 1
799 1 60 ASP HB2 1 71 VAL MG1 . . 5.370 4.214 3.579 4.384 . 0 0 "[ . 1 . 2]" 1
800 1 60 ASP HB2 1 71 VAL MG2 . . 5.080 3.988 3.635 4.262 . 0 0 "[ . 1 . 2]" 1
801 1 60 ASP HB3 1 61 HIS H . . 4.240 3.447 2.840 3.750 . 0 0 "[ . 1 . 2]" 1
802 1 60 ASP HB3 1 62 VAL MG2 . . 5.050 4.049 3.912 4.247 . 0 0 "[ . 1 . 2]" 1
803 1 60 ASP HB3 1 71 VAL MG1 . . 5.620 3.171 2.623 3.423 . 0 0 "[ . 1 . 2]" 1
804 1 60 ASP HB3 1 71 VAL MG2 . . 4.760 3.419 3.035 3.765 . 0 0 "[ . 1 . 2]" 1
805 1 61 HIS H 1 61 HIS HB2 . . 4.130 2.426 2.025 2.853 . 0 0 "[ . 1 . 2]" 1
806 1 61 HIS H 1 61 HIS HB3 . . 4.130 3.059 2.190 3.568 . 0 0 "[ . 1 . 2]" 1
807 1 61 HIS H 1 62 VAL H . . 6.000 4.233 3.924 4.534 . 0 0 "[ . 1 . 2]" 1
808 1 61 HIS H 1 71 VAL MG2 . . 6.850 4.798 4.290 5.311 . 0 0 "[ . 1 . 2]" 1
809 1 61 HIS H 1 72 ILE H . . 3.910 2.860 1.888 3.674 . 0 0 "[ . 1 . 2]" 1
810 1 61 HIS HA 1 61 HIS HD2 . . 5.170 4.511 3.733 4.962 . 0 0 "[ . 1 . 2]" 1
811 1 61 HIS HA 1 61 HIS HE1 . . 4.880 4.851 4.596 5.043 0.163 20 0 "[ . 1 . 2]" 1
812 1 61 HIS HA 1 62 VAL H . . 2.980 2.271 2.186 2.437 . 0 0 "[ . 1 . 2]" 1
813 1 61 HIS HB2 1 61 HIS HD2 . . 3.980 3.175 2.719 3.850 . 0 0 "[ . 1 . 2]" 1
814 1 61 HIS HB2 1 62 VAL H . . 5.240 4.560 4.290 4.721 . 0 0 "[ . 1 . 2]" 1
815 1 61 HIS HB2 1 72 ILE H . . 6.000 3.336 2.179 4.235 . 0 0 "[ . 1 . 2]" 1
816 1 61 HIS HB3 1 62 VAL H . . 4.490 4.231 3.832 4.641 0.151 18 0 "[ . 1 . 2]" 1
817 1 62 VAL H 1 62 VAL HB . . 3.300 2.142 2.003 2.428 . 0 0 "[ . 1 . 2]" 1
818 1 62 VAL H 1 62 VAL MG1 . . 4.540 2.776 2.302 3.202 . 0 0 "[ . 1 . 2]" 1
819 1 62 VAL H 1 62 VAL MG2 . . 4.260 3.518 3.263 3.742 . 0 0 "[ . 1 . 2]" 1
820 1 62 VAL H 1 63 PHE H . . 5.640 4.423 4.194 4.581 . 0 0 "[ . 1 . 2]" 1
821 1 62 VAL H 1 71 VAL MG1 . . 6.960 4.586 3.810 5.573 . 0 0 "[ . 1 . 2]" 1
822 1 62 VAL HA 1 62 VAL MG2 . . 3.720 2.065 1.958 2.156 . 0 0 "[ . 1 . 2]" 1
823 1 62 VAL HA 1 63 PHE H . . 3.160 2.200 2.182 2.236 . 0 0 "[ . 1 . 2]" 1
824 1 62 VAL HA 1 71 VAL HA . . 3.910 3.065 2.314 4.106 0.196 17 0 "[ . 1 . 2]" 1
825 1 62 VAL HB 1 63 PHE H . . 4.780 4.603 4.363 4.704 . 0 0 "[ . 1 . 2]" 1
826 1 62 VAL MG1 1 63 PHE H . . 5.010 3.609 3.351 4.059 . 0 0 "[ . 1 . 2]" 1
827 1 62 VAL MG1 1 64 GLU H . . 6.670 4.128 3.623 5.147 . 0 0 "[ . 1 . 2]" 1
828 1 62 VAL MG1 1 69 LYS QE . . 7.150 3.616 2.398 4.981 . 0 0 "[ . 1 . 2]" 1
829 1 62 VAL MG2 1 63 PHE H . . 4.980 3.213 2.488 3.787 . 0 0 "[ . 1 . 2]" 1
830 1 62 VAL MG2 1 63 PHE QD . . 9.150 5.833 5.247 6.327 . 0 0 "[ . 1 . 2]" 1
831 1 62 VAL MG2 1 64 GLU H . . 6.700 5.391 5.052 5.592 . 0 0 "[ . 1 . 2]" 1
832 1 62 VAL MG2 1 64 GLU HG2 . . 6.340 4.857 4.636 5.025 . 0 0 "[ . 1 . 2]" 1
833 1 62 VAL MG2 1 64 GLU HG3 . . 5.730 4.857 4.561 5.068 . 0 0 "[ . 1 . 2]" 1
834 1 62 VAL MG2 1 69 LYS HG2 . . 6.130 3.153 2.064 4.285 . 0 0 "[ . 1 . 2]" 1
835 1 62 VAL MG2 1 69 LYS HG3 . . 4.110 3.941 2.783 4.703 0.593 1 3 "[+- . 1 *. 2]" 1
836 1 62 VAL MG2 1 70 VAL H . . 7.030 3.811 2.860 5.335 . 0 0 "[ . 1 . 2]" 1
837 1 62 VAL MG2 1 71 VAL HA . . 6.020 4.165 3.490 4.929 . 0 0 "[ . 1 . 2]" 1
838 1 63 PHE H 1 63 PHE HB2 . . 4.090 2.389 2.202 2.631 . 0 0 "[ . 1 . 2]" 1
839 1 63 PHE H 1 64 GLU H . . 5.030 4.351 4.219 4.514 . 0 0 "[ . 1 . 2]" 1
840 1 63 PHE H 1 69 LYS HB3 . . 6.000 5.439 3.763 6.038 0.038 3 0 "[ . 1 . 2]" 1
841 1 63 PHE H 1 70 VAL H . . 3.700 2.828 2.241 3.232 . 0 0 "[ . 1 . 2]" 1
842 1 63 PHE H 1 70 VAL HB . . 5.820 3.596 2.996 4.296 . 0 0 "[ . 1 . 2]" 1
843 1 63 PHE H 1 71 VAL MG1 . . 7.030 3.581 3.085 4.173 . 0 0 "[ . 1 . 2]" 1
844 1 63 PHE HA 1 64 GLU H . . 2.870 2.221 2.193 2.358 . 0 0 "[ . 1 . 2]" 1
845 1 63 PHE HA 1 64 GLU HG2 . . 5.750 5.022 4.582 5.331 . 0 0 "[ . 1 . 2]" 1
846 1 63 PHE HB2 1 64 GLU H . . 6.000 4.562 4.295 4.686 . 0 0 "[ . 1 . 2]" 1
847 1 63 PHE HB2 1 65 TYR QE . . 7.340 4.362 3.077 6.005 . 0 0 "[ . 1 . 2]" 1
848 1 63 PHE HB2 1 70 VAL H . . 6.000 4.311 3.199 5.441 . 0 0 "[ . 1 . 2]" 1
849 1 63 PHE HB2 1 70 VAL HB . . 3.950 3.510 2.127 4.345 0.395 11 0 "[ . 1 . 2]" 1
850 1 63 PHE HB2 1 70 VAL MG1 . . 6.240 3.527 2.082 5.279 . 0 0 "[ . 1 . 2]" 1
851 1 63 PHE HB2 1 70 VAL MG2 . . 7.030 4.900 3.675 5.519 . 0 0 "[ . 1 . 2]" 1
852 1 63 PHE HB3 1 64 GLU H . . 4.700 3.914 3.241 4.257 . 0 0 "[ . 1 . 2]" 1
853 1 63 PHE HB3 1 65 TYR QE . . 7.560 3.160 1.993 4.741 . 0 0 "[ . 1 . 2]" 1
854 1 63 PHE HB3 1 70 VAL HB . . 4.700 2.741 1.992 3.774 . 0 0 "[ . 1 . 2]" 1
855 1 63 PHE HB3 1 70 VAL MG2 . . 7.030 4.022 3.196 4.812 . 0 0 "[ . 1 . 2]" 1
856 1 63 PHE QD 1 65 TYR H . . 7.470 5.966 4.984 6.533 . 0 0 "[ . 1 . 2]" 1
857 1 63 PHE QD 1 70 VAL HB . . 8.120 4.209 3.698 5.005 . 0 0 "[ . 1 . 2]" 1
858 1 63 PHE QD 1 70 VAL MG1 . . 8.320 4.084 3.203 5.809 . 0 0 "[ . 1 . 2]" 1
859 1 63 PHE QD 1 72 ILE MD . . 9.150 3.959 2.287 5.662 . 0 0 "[ . 1 . 2]" 1
860 1 63 PHE QD 1 72 ILE HG13 . . 7.910 5.501 2.813 7.831 . 0 0 "[ . 1 . 2]" 1
861 1 64 GLU H 1 64 GLU HB2 . . 3.260 2.482 2.414 2.674 . 0 0 "[ . 1 . 2]" 1
862 1 64 GLU H 1 64 GLU HB3 . . 3.590 3.582 3.552 3.651 0.061 16 0 "[ . 1 . 2]" 1
863 1 64 GLU H 1 64 GLU HG2 . . 4.420 3.460 3.242 3.741 . 0 0 "[ . 1 . 2]" 1
864 1 64 GLU H 1 64 GLU HG3 . . 3.700 2.229 2.013 2.467 . 0 0 "[ . 1 . 2]" 1
865 1 64 GLU H 1 65 TYR H . . 4.990 4.555 4.323 4.640 . 0 0 "[ . 1 . 2]" 1
866 1 64 GLU H 1 70 VAL H . . 5.460 5.190 4.808 5.486 0.026 11 0 "[ . 1 . 2]" 1
867 1 64 GLU HA 1 64 GLU HG2 . . 4.160 2.561 2.424 2.850 . 0 0 "[ . 1 . 2]" 1
868 1 64 GLU HA 1 64 GLU HG3 . . 4.310 3.013 2.852 3.168 . 0 0 "[ . 1 . 2]" 1
869 1 64 GLU HA 1 65 TYR H . . 2.830 2.239 2.203 2.328 . 0 0 "[ . 1 . 2]" 1
870 1 64 GLU HA 1 69 LYS HA . . 3.880 3.001 2.483 3.365 . 0 0 "[ . 1 . 2]" 1
871 1 64 GLU HA 1 69 LYS HG3 . . 6.000 3.661 2.389 4.826 . 0 0 "[ . 1 . 2]" 1
872 1 64 GLU HA 1 70 VAL H . . 4.740 4.016 3.516 4.471 . 0 0 "[ . 1 . 2]" 1
873 1 64 GLU HB2 1 64 GLU HG2 . . 3.050 3.051 3.022 3.056 0.006 6 0 "[ . 1 . 2]" 1
874 1 64 GLU HB2 1 64 GLU HG3 . . 3.050 2.534 2.450 2.678 . 0 0 "[ . 1 . 2]" 1
875 1 64 GLU HB2 1 65 TYR H . . 4.270 4.208 3.977 4.347 0.077 15 0 "[ . 1 . 2]" 1
876 1 64 GLU HB3 1 64 GLU HG3 . . 3.120 3.051 3.022 3.056 . 0 0 "[ . 1 . 2]" 1
877 1 64 GLU HB3 1 65 TYR H . . 3.800 3.297 2.900 3.809 0.009 15 0 "[ . 1 . 2]" 1
878 1 64 GLU HG2 1 65 TYR H . . 6.000 4.444 4.221 4.925 . 0 0 "[ . 1 . 2]" 1
879 1 64 GLU HG2 1 69 LYS HG2 . . 6.000 4.163 3.211 5.930 . 0 0 "[ . 1 . 2]" 1
880 1 64 GLU HG2 1 69 LYS HG3 . . 5.750 3.789 2.611 4.551 . 0 0 "[ . 1 . 2]" 1
881 1 64 GLU HG3 1 65 TYR H . . 5.280 5.097 4.904 5.247 . 0 0 "[ . 1 . 2]" 1
882 1 64 GLU HG3 1 69 LYS HG2 . . 5.350 4.949 4.086 5.994 0.644 9 1 "[ . +1 . 2]" 1
883 1 64 GLU HG3 1 69 LYS HG3 . . 6.000 4.954 3.463 5.815 . 0 0 "[ . 1 . 2]" 1
884 1 65 TYR H 1 65 TYR HB2 . . 3.480 2.205 2.021 2.535 . 0 0 "[ . 1 . 2]" 1
885 1 65 TYR H 1 65 TYR HB3 . . 3.730 3.315 3.068 3.659 . 0 0 "[ . 1 . 2]" 1
886 1 65 TYR H 1 67 GLY H . . 5.530 4.041 3.814 4.241 . 0 0 "[ . 1 . 2]" 1
887 1 65 TYR H 1 68 VAL H . . 3.800 2.977 2.568 3.864 0.064 20 0 "[ . 1 . 2]" 1
888 1 65 TYR H 1 69 LYS HA . . 4.160 3.243 2.570 3.984 . 0 0 "[ . 1 . 2]" 1
889 1 65 TYR H 1 69 LYS HG2 . . 6.000 4.982 3.336 5.576 . 0 0 "[ . 1 . 2]" 1
890 1 65 TYR H 1 69 LYS HG3 . . 6.000 4.689 3.822 5.781 . 0 0 "[ . 1 . 2]" 1
891 1 65 TYR H 1 70 VAL H . . 5.060 4.697 4.295 5.057 . 0 0 "[ . 1 . 2]" 1
892 1 65 TYR HA 1 66 ASP H . . 3.010 2.840 2.783 2.952 . 0 0 "[ . 1 . 2]" 1
893 1 65 TYR HB2 1 66 ASP H . . 3.700 3.445 2.938 3.515 . 0 0 "[ . 1 . 2]" 1
894 1 65 TYR HB3 1 66 ASP H . . 3.300 1.908 1.801 1.950 . 0 0 "[ . 1 . 2]" 1
895 1 65 TYR QD 1 66 ASP H . . 8.140 2.739 1.924 3.764 . 0 0 "[ . 1 . 2]" 1
896 1 65 TYR QD 1 68 VAL MG1 . . 6.970 4.003 3.254 5.091 . 0 0 "[ . 1 . 2]" 1
897 1 65 TYR QD 1 70 VAL MG2 . . 8.120 2.320 1.949 2.807 . 0 0 "[ . 1 . 2]" 1
898 1 65 TYR QE 1 68 VAL MG1 . . 7.860 5.384 4.667 6.418 . 0 0 "[ . 1 . 2]" 1
899 1 65 TYR QE 1 70 VAL HB . . 7.520 2.908 2.047 4.963 . 0 0 "[ . 1 . 2]" 1
900 1 65 TYR QE 1 70 VAL MG2 . . 7.040 2.576 1.974 3.463 . 0 0 "[ . 1 . 2]" 1
901 1 66 ASP H 1 66 ASP HA . . 2.940 2.777 2.766 2.787 . 0 0 "[ . 1 . 2]" 1
902 1 66 ASP H 1 66 ASP HB2 . . 3.160 2.235 2.120 2.485 . 0 0 "[ . 1 . 2]" 1
903 1 66 ASP H 1 66 ASP HB3 . . 3.230 2.713 2.430 2.861 . 0 0 "[ . 1 . 2]" 1
904 1 66 ASP H 1 67 GLY H . . 3.800 3.886 3.864 3.938 0.138 13 0 "[ . 1 . 2]" 1
905 1 66 ASP H 1 68 VAL H . . 4.310 3.847 3.336 4.186 . 0 0 "[ . 1 . 2]" 1
906 1 66 ASP HA 1 66 ASP HB2 . . 3.050 2.622 2.479 2.693 . 0 0 "[ . 1 . 2]" 1
907 1 66 ASP HA 1 67 GLY H . . 2.870 2.513 2.486 2.526 . 0 0 "[ . 1 . 2]" 1
908 1 66 ASP HB2 1 67 GLY H . . 5.060 4.725 4.710 4.730 . 0 0 "[ . 1 . 2]" 1
909 1 66 ASP HB2 1 68 VAL H . . 5.600 5.388 4.766 5.646 0.046 13 0 "[ . 1 . 2]" 1
910 1 66 ASP HB3 1 67 GLY H . . 4.450 4.418 4.382 4.496 0.046 16 0 "[ . 1 . 2]" 1
911 1 66 ASP HB3 1 68 VAL H . . 5.170 4.678 3.752 5.118 . 0 0 "[ . 1 . 2]" 1
912 1 66 ASP HB3 1 68 VAL MG1 . . 5.880 5.769 5.496 6.090 0.210 6 0 "[ . 1 . 2]" 1
913 1 67 GLY H 1 67 GLY HA2 . . 2.900 2.266 2.245 2.302 . 0 0 "[ . 1 . 2]" 1
914 1 67 GLY H 1 67 GLY HA3 . . 3.120 2.860 2.787 2.912 . 0 0 "[ . 1 . 2]" 1
915 1 67 GLY H 1 68 VAL H . . 3.190 2.595 2.424 2.984 . 0 0 "[ . 1 . 2]" 1
916 1 67 GLY HA2 1 68 VAL H . . 4.240 3.101 2.838 3.570 . 0 0 "[ . 1 . 2]" 1
917 1 67 GLY HA3 1 68 VAL H . . 4.240 3.489 3.036 3.629 . 0 0 "[ . 1 . 2]" 1
918 1 68 VAL H 1 68 VAL HB . . 3.230 2.751 2.385 2.919 . 0 0 "[ . 1 . 2]" 1
919 1 68 VAL H 1 68 VAL MG2 . . 4.690 2.940 2.116 3.323 . 0 0 "[ . 1 . 2]" 1
920 1 68 VAL H 1 69 LYS H . . 4.810 4.410 4.295 4.586 . 0 0 "[ . 1 . 2]" 1
921 1 68 VAL HA 1 69 LYS H . . 2.760 2.413 2.289 2.577 . 0 0 "[ . 1 . 2]" 1
922 1 68 VAL HB 1 69 LYS H . . 4.020 3.773 3.096 4.000 . 0 0 "[ . 1 . 2]" 1
923 1 68 VAL MG1 1 69 LYS H . . 4.470 1.981 1.792 2.340 . 0 0 "[ . 1 . 2]" 1
924 1 68 VAL MG2 1 69 LYS H . . 4.800 3.856 3.646 4.035 . 0 0 "[ . 1 . 2]" 1
925 1 69 LYS H 1 69 LYS HB2 . . 3.300 2.547 2.202 3.288 . 0 0 "[ . 1 . 2]" 1
926 1 69 LYS H 1 69 LYS HB3 . . 4.060 3.193 2.700 3.741 . 0 0 "[ . 1 . 2]" 1
927 1 69 LYS H 1 69 LYS HG3 . . 4.270 4.114 3.155 4.957 0.687 12 2 "[ . -1 + . 2]" 1
928 1 69 LYS H 1 70 VAL H . . 4.630 4.484 4.199 4.576 . 0 0 "[ . 1 . 2]" 1
929 1 69 LYS HA 1 70 VAL H . . 2.900 2.299 2.184 2.394 . 0 0 "[ . 1 . 2]" 1
930 1 69 LYS HB2 1 70 VAL H . . 5.210 4.272 4.021 4.667 . 0 0 "[ . 1 . 2]" 1
931 1 69 LYS HB3 1 69 LYS HG3 . . 3.080 2.988 2.717 3.056 . 0 0 "[ . 1 . 2]" 1
932 1 69 LYS HB3 1 70 VAL H . . 4.200 3.420 2.897 4.148 . 0 0 "[ . 1 . 2]" 1
933 1 69 LYS QD 1 70 VAL H . . 6.880 4.184 2.637 5.309 . 0 0 "[ . 1 . 2]" 1
934 1 69 LYS HG2 1 70 VAL H . . 6.000 3.001 1.924 5.232 . 0 0 "[ . 1 . 2]" 1
935 1 69 LYS HG3 1 70 VAL H . . 5.890 4.058 2.740 4.868 . 0 0 "[ . 1 . 2]" 1
936 1 70 VAL H 1 70 VAL HB . . 3.410 2.647 2.353 2.809 . 0 0 "[ . 1 . 2]" 1
937 1 70 VAL H 1 70 VAL MG2 . . 4.540 3.110 2.436 3.441 . 0 0 "[ . 1 . 2]" 1
938 1 70 VAL H 1 71 VAL H . . 6.000 4.424 4.353 4.556 . 0 0 "[ . 1 . 2]" 1
939 1 70 VAL HA 1 71 VAL H . . 3.010 2.377 2.273 2.443 . 0 0 "[ . 1 . 2]" 1
940 1 70 VAL HB 1 71 VAL H . . 5.570 3.952 3.736 4.220 . 0 0 "[ . 1 . 2]" 1
941 1 70 VAL MG1 1 71 VAL H . . 4.690 2.031 1.879 2.251 . 0 0 "[ . 1 . 2]" 1
942 1 70 VAL MG2 1 71 VAL H . . 5.230 3.723 3.421 4.078 . 0 0 "[ . 1 . 2]" 1
943 1 71 VAL H 1 71 VAL HB . . 4.090 3.917 3.878 3.932 . 0 0 "[ . 1 . 2]" 1
944 1 71 VAL H 1 71 VAL MG1 . . 4.800 2.689 2.513 2.989 . 0 0 "[ . 1 . 2]" 1
945 1 71 VAL H 1 71 VAL MG2 . . 4.110 2.552 2.208 2.731 . 0 0 "[ . 1 . 2]" 1
946 1 71 VAL H 1 72 ILE H . . 5.680 4.286 3.959 4.402 . 0 0 "[ . 1 . 2]" 1
947 1 71 VAL HA 1 72 ILE H . . 2.900 2.348 2.182 2.481 . 0 0 "[ . 1 . 2]" 1
948 1 71 VAL HB 1 72 ILE H . . 3.950 3.013 2.631 3.788 . 0 0 "[ . 1 . 2]" 1
949 1 71 VAL MG1 1 72 ILE H . . 5.910 4.152 3.850 4.441 . 0 0 "[ . 1 . 2]" 1
950 1 71 VAL MG2 1 72 ILE H . . 5.840 3.308 2.845 4.135 . 0 0 "[ . 1 . 2]" 1
951 1 72 ILE H 1 72 ILE HB . . 3.770 2.840 2.575 3.064 . 0 0 "[ . 1 . 2]" 1
952 1 72 ILE H 1 72 ILE HG12 . . 4.740 3.951 3.312 4.650 . 0 0 "[ . 1 . 2]" 1
953 1 72 ILE H 1 72 ILE HG13 . . 4.880 2.862 1.937 3.792 . 0 0 "[ . 1 . 2]" 1
954 1 72 ILE MD 1 77 MET HA . . 7.030 4.361 3.599 5.385 . 0 0 "[ . 1 . 2]" 1
955 1 72 ILE MD 1 77 MET ME . . 6.540 3.279 2.034 4.222 . 0 0 "[ . 1 . 2]" 1
956 1 72 ILE MD 1 80 VAL MG2 . . 6.000 3.370 2.145 4.092 . 0 0 "[ . 1 . 2]" 1
957 1 72 ILE HG12 1 72 ILE MG . . 3.720 2.321 1.966 2.638 . 0 0 "[ . 1 . 2]" 1
958 1 72 ILE MG 1 75 PHE H . . 7.030 5.389 5.070 5.697 . 0 0 "[ . 1 . 2]" 1
959 1 72 ILE MG 1 76 SER HB2 . . 6.090 3.158 2.068 4.535 . 0 0 "[ . 1 . 2]" 1
960 1 72 ILE MG 1 76 SER HB3 . . 5.550 3.174 1.912 4.166 . 0 0 "[ . 1 . 2]" 1
961 1 72 ILE MG 1 77 MET H . . 4.870 3.412 2.781 3.937 . 0 0 "[ . 1 . 2]" 1
962 1 72 ILE MG 1 77 MET HA . . 4.940 2.744 1.918 4.023 . 0 0 "[ . 1 . 2]" 1
963 1 72 ILE MG 1 77 MET ME . . 7.080 3.408 2.048 4.124 . 0 0 "[ . 1 . 2]" 1
964 1 74 PRO HA 1 74 PRO HB3 . . 3.080 2.303 2.302 2.303 . 0 0 "[ . 1 . 2]" 1
965 1 74 PRO HA 1 75 PHE H . . 4.670 3.424 3.403 3.461 . 0 0 "[ . 1 . 2]" 1
966 1 74 PRO HB2 1 74 PRO HD3 . . 4.270 4.124 4.123 4.125 . 0 0 "[ . 1 . 2]" 1
967 1 74 PRO HB2 1 75 PHE H . . 3.410 3.600 3.459 3.668 0.258 19 0 "[ . 1 . 2]" 1
968 1 74 PRO HB3 1 74 PRO HD3 . . 4.130 3.534 3.533 3.534 . 0 0 "[ . 1 . 2]" 1
969 1 74 PRO HB3 1 75 PHE H . . 6.000 4.387 4.310 4.424 . 0 0 "[ . 1 . 2]" 1
970 1 74 PRO HD2 1 75 PHE H . . 4.670 2.312 2.265 2.346 . 0 0 "[ . 1 . 2]" 1
971 1 74 PRO HD3 1 75 PHE H . . 6.000 3.664 3.655 3.674 . 0 0 "[ . 1 . 2]" 1
972 1 74 PRO HG2 1 75 PHE H . . 6.000 3.202 3.021 3.294 . 0 0 "[ . 1 . 2]" 1
973 1 74 PRO HG3 1 75 PHE H . . 6.000 4.315 4.198 4.375 . 0 0 "[ . 1 . 2]" 1
974 1 75 PHE H 1 75 PHE HB2 . . 3.370 2.032 1.931 2.310 . 0 0 "[ . 1 . 2]" 1
975 1 75 PHE H 1 75 PHE HB3 . . 3.520 3.145 2.700 3.498 . 0 0 "[ . 1 . 2]" 1
976 1 75 PHE HA 1 76 SER H . . 4.560 3.513 3.401 3.559 . 0 0 "[ . 1 . 2]" 1
977 1 75 PHE HA 1 78 PRO HB2 . . 5.710 5.458 5.033 5.632 . 0 0 "[ . 1 . 2]" 1
978 1 75 PHE HB2 1 76 SER H . . 4.520 3.285 2.807 3.932 . 0 0 "[ . 1 . 2]" 1
979 1 75 PHE HB3 1 76 SER H . . 4.240 3.398 2.882 3.873 . 0 0 "[ . 1 . 2]" 1
980 1 76 SER H 1 76 SER HB3 . . 3.910 2.912 2.175 3.621 . 0 0 "[ . 1 . 2]" 1
981 1 76 SER H 1 77 MET H . . 3.950 2.248 2.197 2.272 . 0 0 "[ . 1 . 2]" 1
982 1 76 SER HA 1 77 MET H . . 3.800 3.480 3.465 3.528 . 0 0 "[ . 1 . 2]" 1
983 1 76 SER HA 1 79 TYR H . . 4.160 3.341 3.290 3.435 . 0 0 "[ . 1 . 2]" 1
984 1 76 SER HA 1 80 VAL H . . 5.600 4.589 4.047 5.273 . 0 0 "[ . 1 . 2]" 1
985 1 76 SER HB2 1 77 MET H . . 5.060 3.858 3.063 4.465 . 0 0 "[ . 1 . 2]" 1
986 1 76 SER HB3 1 77 MET H . . 4.700 3.848 3.047 4.369 . 0 0 "[ . 1 . 2]" 1
987 1 77 MET H 1 77 MET HG2 . . 4.200 3.645 2.975 4.296 0.096 20 0 "[ . 1 . 2]" 1
988 1 77 MET H 1 77 MET HG3 . . 4.200 4.137 3.796 4.399 0.199 20 0 "[ . 1 . 2]" 1
989 1 77 MET H 1 78 PRO HD2 . . 4.990 2.294 2.268 2.317 . 0 0 "[ . 1 . 2]" 1
990 1 77 MET H 1 78 PRO HD3 . . 4.960 2.520 2.410 2.582 . 0 0 "[ . 1 . 2]" 1
991 1 77 MET HA 1 77 MET ME . . 4.580 2.382 1.873 2.781 . 0 0 "[ . 1 . 2]" 1
992 1 77 MET HA 1 80 VAL MG2 . . 4.470 2.768 2.262 3.158 . 0 0 "[ . 1 . 2]" 1
993 1 77 MET ME 1 80 VAL MG1 . . 7.910 5.193 4.707 5.394 . 0 0 "[ . 1 . 2]" 1
994 1 77 MET ME 1 80 VAL MG2 . . 5.820 3.140 2.562 3.722 . 0 0 "[ . 1 . 2]" 1
995 1 77 MET ME 1 81 ASN H . . 7.030 4.076 3.474 4.879 . 0 0 "[ . 1 . 2]" 1
996 1 77 MET ME 1 81 ASN HA . . 3.930 2.381 1.850 3.078 . 0 0 "[ . 1 . 2]" 1
997 1 77 MET ME 1 81 ASN HB2 . . 4.800 3.449 2.189 4.090 . 0 0 "[ . 1 . 2]" 1
998 1 77 MET ME 1 82 GLY H . . 5.190 3.342 2.187 4.018 . 0 0 "[ . 1 . 2]" 1
999 1 77 MET ME 1 83 ALA H . . 6.990 5.007 4.013 5.720 . 0 0 "[ . 1 . 2]" 1
1000 1 78 PRO HA 1 78 PRO HB3 . . 2.940 2.302 2.302 2.303 . 0 0 "[ . 1 . 2]" 1
1001 1 78 PRO HA 1 78 PRO HD2 . . 4.420 3.976 3.976 3.977 . 0 0 "[ . 1 . 2]" 1
1002 1 78 PRO HA 1 79 TYR H . . 4.060 3.225 3.204 3.241 . 0 0 "[ . 1 . 2]" 1
1003 1 78 PRO HB2 1 79 TYR H . . 4.380 4.058 4.033 4.089 . 0 0 "[ . 1 . 2]" 1
1004 1 78 PRO HB3 1 79 TYR H . . 5.170 4.626 4.615 4.641 . 0 0 "[ . 1 . 2]" 1
1005 1 78 PRO HD2 1 79 TYR H . . 5.820 2.762 2.721 2.813 . 0 0 "[ . 1 . 2]" 1
1006 1 78 PRO HD3 1 79 TYR H . . 4.920 3.854 3.834 3.880 . 0 0 "[ . 1 . 2]" 1
1007 1 78 PRO QG 1 79 TYR H . . 6.480 3.752 3.713 3.802 . 0 0 "[ . 1 . 2]" 1
1008 1 79 TYR H 1 79 TYR HB2 . . 3.980 2.168 2.070 2.383 . 0 0 "[ . 1 . 2]" 1
1009 1 79 TYR H 1 79 TYR HB3 . . 3.620 2.956 2.737 3.417 . 0 0 "[ . 1 . 2]" 1
1010 1 79 TYR H 1 80 VAL H . . 3.410 2.076 1.906 2.297 . 0 0 "[ . 1 . 2]" 1
1011 1 79 TYR HA 1 80 VAL H . . 5.640 3.484 3.285 3.615 . 0 0 "[ . 1 . 2]" 1
1012 1 79 TYR HA 1 81 ASN H . . 4.240 4.244 4.087 4.357 0.117 19 0 "[ . 1 . 2]" 1
1013 1 79 TYR HB2 1 80 VAL H . . 6.000 3.513 3.021 3.931 . 0 0 "[ . 1 . 2]" 1
1014 1 79 TYR HB3 1 80 VAL H . . 5.390 3.241 2.730 3.747 . 0 0 "[ . 1 . 2]" 1
1015 1 80 VAL H 1 80 VAL MG1 . . 4.650 2.962 2.649 3.402 . 0 0 "[ . 1 . 2]" 1
1016 1 80 VAL H 1 80 VAL MG2 . . 4.290 2.248 1.921 2.551 . 0 0 "[ . 1 . 2]" 1
1017 1 80 VAL H 1 81 ASN H . . 3.080 2.478 1.880 2.968 . 0 0 "[ . 1 . 2]" 1
1018 1 80 VAL HA 1 81 ASN H . . 3.800 2.858 2.703 3.285 . 0 0 "[ . 1 . 2]" 1
1019 1 80 VAL HA 1 83 ALA MB . . 6.240 2.544 1.911 3.291 . 0 0 "[ . 1 . 2]" 1
1020 1 80 VAL HB 1 81 ASN H . . 5.320 4.551 4.492 4.649 . 0 0 "[ . 1 . 2]" 1
1021 1 80 VAL HB 1 83 ALA MB . . 4.870 2.788 1.873 3.950 . 0 0 "[ . 1 . 2]" 1
1022 1 80 VAL MG1 1 81 ASN H . . 5.590 4.317 4.034 4.397 . 0 0 "[ . 1 . 2]" 1
1023 1 80 VAL MG1 1 83 ALA MB . . 8.060 3.500 2.734 4.294 . 0 0 "[ . 1 . 2]" 1
1024 1 80 VAL MG2 1 81 ASN H . . 5.480 3.709 3.157 3.940 . 0 0 "[ . 1 . 2]" 1
1025 1 80 VAL MG2 1 83 ALA MB . . 7.660 3.769 2.003 4.812 . 0 0 "[ . 1 . 2]" 1
1026 1 81 ASN H 1 81 ASN HB2 . . 3.370 3.088 2.397 3.565 0.195 10 0 "[ . 1 . 2]" 1
1027 1 81 ASN H 1 81 ASN HB3 . . 3.520 2.519 2.222 2.987 . 0 0 "[ . 1 . 2]" 1
1028 1 81 ASN H 1 81 ASN HD21 . . 5.640 4.027 1.884 4.751 . 0 0 "[ . 1 . 2]" 1
1029 1 81 ASN H 1 81 ASN HD22 . . 5.780 4.827 3.360 5.782 0.002 1 0 "[ . 1 . 2]" 1
1030 1 81 ASN H 1 82 GLY H . . 6.000 4.507 4.290 4.671 . 0 0 "[ . 1 . 2]" 1
1031 1 81 ASN H 1 83 ALA H . . 5.320 4.549 3.607 5.408 0.088 15 0 "[ . 1 . 2]" 1
1032 1 81 ASN HA 1 82 GLY H . . 3.440 2.294 2.253 2.428 . 0 0 "[ . 1 . 2]" 1
1033 1 81 ASN HA 1 83 ALA H . . 4.340 3.835 3.490 4.310 . 0 0 "[ . 1 . 2]" 1
1034 1 81 ASN HB2 1 82 GLY H . . 5.280 3.866 2.989 4.522 . 0 0 "[ . 1 . 2]" 1
1035 1 81 ASN HB3 1 82 GLY H . . 6.000 4.288 3.770 4.556 . 0 0 "[ . 1 . 2]" 1
1036 1 81 ASN HD22 1 82 GLY H . . 6.000 5.160 3.119 6.073 0.073 7 0 "[ . 1 . 2]" 1
1037 1 82 GLY H 1 83 ALA H . . 3.050 2.935 2.655 3.092 0.042 14 0 "[ . 1 . 2]" 1
1038 1 82 GLY HA2 1 83 ALA H . . 4.090 3.035 2.622 3.594 . 0 0 "[ . 1 . 2]" 1
1039 1 82 GLY HA3 1 83 ALA H . . 3.730 3.478 2.969 3.645 . 0 0 "[ . 1 . 2]" 1
1040 1 83 ALA H 1 83 ALA MB . . 3.460 2.342 2.028 2.718 . 0 0 "[ . 1 . 2]" 1
1041 1 83 ALA H 1 84 GLU H . . 5.640 4.504 4.319 4.648 . 0 0 "[ . 1 . 2]" 1
1042 1 83 ALA HA 1 84 GLU H . . 3.160 2.527 2.341 2.672 . 0 0 "[ . 1 . 2]" 1
1043 1 83 ALA HA 1 100 ASN HA . . 4.630 4.186 3.343 4.780 0.150 10 0 "[ . 1 . 2]" 1
1044 1 83 ALA HA 1 101 PRO HD2 . . 5.460 4.238 3.191 4.945 . 0 0 "[ . 1 . 2]" 1
1045 1 83 ALA HA 1 101 PRO HD3 . . 4.240 3.440 2.631 4.462 0.222 12 0 "[ . 1 . 2]" 1
1046 1 83 ALA MB 1 84 GLU H . . 4.260 2.492 2.091 2.867 . 0 0 "[ . 1 . 2]" 1
1047 1 83 ALA MB 1 99 ARG H . . 7.030 4.657 4.184 5.116 . 0 0 "[ . 1 . 2]" 1
1048 1 83 ALA MB 1 100 ASN HA . . 4.940 3.363 2.191 3.965 . 0 0 "[ . 1 . 2]" 1
1049 1 83 ALA MB 1 100 ASN HB2 . . 6.240 4.842 2.794 6.252 0.012 3 0 "[ . 1 . 2]" 1
1050 1 83 ALA MB 1 101 PRO HD2 . . 6.740 3.969 3.117 4.706 . 0 0 "[ . 1 . 2]" 1
1051 1 83 ALA MB 1 101 PRO HD3 . . 5.840 3.582 2.720 4.709 . 0 0 "[ . 1 . 2]" 1
1052 1 84 GLU H 1 84 GLU HG2 . . 4.780 3.429 1.933 4.658 . 0 0 "[ . 1 . 2]" 1
1053 1 84 GLU H 1 84 GLU HG3 . . 5.100 3.479 2.026 4.741 . 0 0 "[ . 1 . 2]" 1
1054 1 84 GLU H 1 85 LEU H . . 5.570 4.379 3.947 4.553 . 0 0 "[ . 1 . 2]" 1
1055 1 84 GLU H 1 99 ARG H . . 4.090 3.906 3.445 4.103 0.013 18 0 "[ . 1 . 2]" 1
1056 1 84 GLU HA 1 85 LEU H . . 3.080 2.318 2.207 2.613 . 0 0 "[ . 1 . 2]" 1
1057 1 84 GLU QB 1 85 LEU H . . 6.410 3.119 2.195 3.940 . 0 0 "[ . 1 . 2]" 1
1058 1 84 GLU HG2 1 85 LEU H . . 6.000 4.360 2.957 5.471 . 0 0 "[ . 1 . 2]" 1
1059 1 84 GLU HG3 1 85 LEU H . . 4.600 4.012 2.278 5.166 0.566 11 1 "[ . 1+ . 2]" 1
1060 1 85 LEU H 1 85 LEU HB2 . . 3.730 3.438 3.003 3.733 0.003 13 0 "[ . 1 . 2]" 1
1061 1 85 LEU H 1 85 LEU HB3 . . 3.550 2.365 2.064 2.653 . 0 0 "[ . 1 . 2]" 1
1062 1 85 LEU H 1 85 LEU MD2 . . 5.620 4.185 3.981 4.391 . 0 0 "[ . 1 . 2]" 1
1063 1 85 LEU H 1 86 ASP H . . 5.820 4.200 4.007 4.388 . 0 0 "[ . 1 . 2]" 1
1064 1 85 LEU HA 1 85 LEU MD1 . . 4.330 2.551 2.349 2.864 . 0 0 "[ . 1 . 2]" 1
1065 1 85 LEU HA 1 86 ASP H . . 2.870 2.188 2.177 2.196 . 0 0 "[ . 1 . 2]" 1
1066 1 85 LEU HB2 1 86 ASP H . . 4.920 4.130 3.894 4.242 . 0 0 "[ . 1 . 2]" 1
1067 1 85 LEU HB3 1 86 ASP H . . 4.810 4.657 4.612 4.677 . 0 0 "[ . 1 . 2]" 1
1068 1 85 LEU MD1 1 86 ASP H . . 4.440 2.818 2.561 3.063 . 0 0 "[ . 1 . 2]" 1
1069 1 85 LEU MD1 1 96 PHE HA . . 6.600 3.232 2.527 3.696 . 0 0 "[ . 1 . 2]" 1
1070 1 85 LEU MD1 1 96 PHE QB . . 6.030 3.247 2.181 4.065 . 0 0 "[ . 1 . 2]" 1
1071 1 85 LEU MD1 1 96 PHE QD . . 7.670 4.225 2.478 5.188 . 0 0 "[ . 1 . 2]" 1
1072 1 85 LEU MD1 1 97 THR H . . 5.770 2.614 1.974 3.123 . 0 0 "[ . 1 . 2]" 1
1073 1 85 LEU MD1 1 98 ILE HB . . 6.670 4.047 2.648 5.355 . 0 0 "[ . 1 . 2]" 1
1074 1 85 LEU MD1 1 98 ILE MD . . 6.580 2.904 1.770 4.382 . 0 0 "[ . 1 . 2]" 1
1075 1 85 LEU MD1 1 98 ILE HG12 . . 6.810 4.214 2.717 5.527 . 0 0 "[ . 1 . 2]" 1
1076 1 85 LEU MD1 1 98 ILE HG13 . . 6.270 3.912 1.966 5.048 . 0 0 "[ . 1 . 2]" 1
1077 1 85 LEU MD2 1 86 ASP H . . 6.420 5.099 5.015 5.169 . 0 0 "[ . 1 . 2]" 1
1078 1 85 LEU MD2 1 98 ILE MD . . 6.900 3.477 2.252 4.668 . 0 0 "[ . 1 . 2]" 1
1079 1 85 LEU HG 1 86 ASP H . . 4.450 4.256 4.056 4.502 0.052 2 0 "[ . 1 . 2]" 1
1080 1 86 ASP H 1 86 ASP HB2 . . 4.160 2.721 2.232 3.642 . 0 0 "[ . 1 . 2]" 1
1081 1 86 ASP H 1 86 ASP HB3 . . 4.200 2.902 2.403 3.606 . 0 0 "[ . 1 . 2]" 1
1082 1 86 ASP H 1 87 TYR H . . 5.100 4.313 4.141 4.551 . 0 0 "[ . 1 . 2]" 1
1083 1 86 ASP H 1 97 THR H . . 4.060 4.060 3.860 4.125 0.065 11 0 "[ . 1 . 2]" 1
1084 1 86 ASP H 1 97 THR MG . . 6.340 3.599 3.102 4.272 . 0 0 "[ . 1 . 2]" 1
1085 1 86 ASP HA 1 87 TYR H . . 3.120 2.280 2.254 2.321 . 0 0 "[ . 1 . 2]" 1
1086 1 86 ASP HB2 1 87 TYR H . . 5.100 4.334 3.304 4.713 . 0 0 "[ . 1 . 2]" 1
1087 1 86 ASP HB2 1 88 VAL MG2 . . 7.030 4.813 3.389 5.739 . 0 0 "[ . 1 . 2]" 1
1088 1 86 ASP HB2 1 97 THR MG . . 6.090 3.571 2.149 4.976 . 0 0 "[ . 1 . 2]" 1
1089 1 86 ASP HB3 1 87 TYR H . . 5.060 4.170 3.540 4.428 . 0 0 "[ . 1 . 2]" 1
1090 1 86 ASP HB3 1 88 VAL MG2 . . 7.030 4.208 3.061 5.728 . 0 0 "[ . 1 . 2]" 1
1091 1 86 ASP HB3 1 97 THR MG . . 6.520 3.190 1.978 4.846 . 0 0 "[ . 1 . 2]" 1
1092 1 87 TYR H 1 87 TYR HB3 . . 4.240 2.524 2.213 2.804 . 0 0 "[ . 1 . 2]" 1
1093 1 87 TYR H 1 88 VAL H . . 4.560 4.495 4.272 4.600 0.040 3 0 "[ . 1 . 2]" 1
1094 1 87 TYR HA 1 88 VAL H . . 2.870 2.201 2.188 2.242 . 0 0 "[ . 1 . 2]" 1
1095 1 87 TYR HA 1 88 VAL MG2 . . 7.030 3.836 3.591 4.333 . 0 0 "[ . 1 . 2]" 1
1096 1 87 TYR HA 1 96 PHE HA . . 3.440 2.706 2.007 3.511 0.071 8 0 "[ . 1 . 2]" 1
1097 1 87 TYR HB2 1 88 VAL H . . 5.750 4.532 4.343 4.637 . 0 0 "[ . 1 . 2]" 1
1098 1 87 TYR HB3 1 88 VAL H . . 5.780 4.181 3.868 4.496 . 0 0 "[ . 1 . 2]" 1
1099 1 87 TYR QD 1 88 VAL H . . 8.140 3.726 2.618 4.180 . 0 0 "[ . 1 . 2]" 1
1100 1 87 TYR QD 1 89 VAL MG2 . . 8.810 2.732 2.036 3.583 . 0 0 "[ . 1 . 2]" 1
1101 1 87 TYR QD 1 97 THR HA . . 8.070 6.784 6.090 7.514 . 0 0 "[ . 1 . 2]" 1
1102 1 87 TYR QE 1 89 VAL MG2 . . 7.830 3.563 1.856 4.816 . 0 0 "[ . 1 . 2]" 1
1103 1 87 TYR QE 1 94 GLY QA . . 7.840 3.095 1.880 5.136 . 0 0 "[ . 1 . 2]" 1
1104 1 87 TYR QE 1 95 GLY HA2 . . 8.130 4.556 2.776 5.873 . 0 0 "[ . 1 . 2]" 1
1105 1 87 TYR QE 1 95 GLY HA3 . . 7.450 5.265 2.582 6.321 . 0 0 "[ . 1 . 2]" 1
1106 1 88 VAL H 1 88 VAL HB . . 3.300 2.294 2.188 2.437 . 0 0 "[ . 1 . 2]" 1
1107 1 88 VAL H 1 88 VAL MG2 . . 4.510 2.570 2.080 3.380 . 0 0 "[ . 1 . 2]" 1
1108 1 88 VAL H 1 89 VAL H . . 5.240 4.605 4.475 4.653 . 0 0 "[ . 1 . 2]" 1
1109 1 88 VAL H 1 95 GLY H . . 3.660 3.232 2.809 3.673 0.013 9 0 "[ . 1 . 2]" 1
1110 1 88 VAL H 1 96 PHE HA . . 4.090 3.322 2.530 4.138 0.048 10 0 "[ . 1 . 2]" 1
1111 1 88 VAL H 1 97 THR MG . . 6.600 4.948 3.242 5.526 . 0 0 "[ . 1 . 2]" 1
1112 1 88 VAL HA 1 89 VAL H . . 2.620 2.336 2.269 2.444 . 0 0 "[ . 1 . 2]" 1
1113 1 88 VAL HA 1 95 GLY H . . 4.850 4.386 3.915 4.873 0.023 10 0 "[ . 1 . 2]" 1
1114 1 88 VAL HB 1 89 VAL H . . 3.950 4.038 3.951 4.163 0.213 17 0 "[ . 1 . 2]" 1
1115 1 88 VAL HB 1 95 GLY H . . 6.000 2.823 1.990 4.314 . 0 0 "[ . 1 . 2]" 1
1116 1 88 VAL HB 1 95 GLY HA3 . . 6.000 3.200 2.256 6.767 0.767 10 2 "[ . - + . 2]" 1
1117 1 88 VAL MG1 1 89 VAL H . . 4.720 2.107 1.924 2.300 . 0 0 "[ . 1 . 2]" 1
1118 1 88 VAL MG1 1 90 ASP H . . 5.800 3.750 3.274 3.924 . 0 0 "[ . 1 . 2]" 1
1119 1 88 VAL MG1 1 90 ASP HB2 . . 7.030 3.230 2.757 3.581 . 0 0 "[ . 1 . 2]" 1
1120 1 88 VAL MG1 1 90 ASP HB3 . . 6.490 4.197 3.583 4.532 . 0 0 "[ . 1 . 2]" 1
1121 1 88 VAL MG1 1 91 PHE QB . . 7.900 5.835 5.749 5.964 . 0 0 "[ . 1 . 2]" 1
1122 1 88 VAL MG2 1 89 VAL H . . 5.520 3.762 3.384 3.951 . 0 0 "[ . 1 . 2]" 1
1123 1 88 VAL MG2 1 95 GLY H . . 7.030 4.342 3.694 5.361 . 0 0 "[ . 1 . 2]" 1
1124 1 88 VAL MG2 1 96 PHE H . . 6.960 5.099 4.163 5.845 . 0 0 "[ . 1 . 2]" 1
1125 1 89 VAL H 1 89 VAL HB . . 3.190 2.710 2.585 2.757 . 0 0 "[ . 1 . 2]" 1
1126 1 89 VAL H 1 89 VAL MG2 . . 4.360 2.689 2.542 2.922 . 0 0 "[ . 1 . 2]" 1
1127 1 89 VAL H 1 90 ASP H . . 4.450 4.202 4.016 4.382 . 0 0 "[ . 1 . 2]" 1
1128 1 89 VAL HA 1 90 ASP H . . 2.720 2.188 2.183 2.206 . 0 0 "[ . 1 . 2]" 1
1129 1 89 VAL HA 1 94 GLY H . . 6.000 3.862 2.320 4.827 . 0 0 "[ . 1 . 2]" 1
1130 1 89 VAL HB 1 90 ASP H . . 4.270 4.313 4.227 4.413 0.143 14 0 "[ . 1 . 2]" 1
1131 1 89 VAL HB 1 94 GLY QA . . 4.560 4.817 4.362 4.935 0.375 1 0 "[ . 1 . 2]" 1
1132 1 89 VAL MG1 1 90 ASP H . . 4.470 2.872 2.540 3.150 . 0 0 "[ . 1 . 2]" 1
1133 1 89 VAL MG1 1 93 GLY H . . 7.030 4.798 4.603 5.130 . 0 0 "[ . 1 . 2]" 1
1134 1 89 VAL MG1 1 93 GLY HA2 . . 7.030 4.268 2.803 4.784 . 0 0 "[ . 1 . 2]" 1
1135 1 89 VAL MG1 1 93 GLY HA3 . . 6.130 5.401 4.149 5.693 . 0 0 "[ . 1 . 2]" 1
1136 1 89 VAL MG1 1 94 GLY QA . . 7.030 3.408 2.804 3.757 . 0 0 "[ . 1 . 2]" 1
1137 1 89 VAL MG2 1 90 ASP H . . 5.120 4.250 4.096 4.343 . 0 0 "[ . 1 . 2]" 1
1138 1 89 VAL MG2 1 94 GLY QA . . 5.730 3.309 2.326 3.879 . 0 0 "[ . 1 . 2]" 1
1139 1 90 ASP H 1 90 ASP HB2 . . 4.310 3.045 2.989 3.155 . 0 0 "[ . 1 . 2]" 1
1140 1 90 ASP H 1 90 ASP HB3 . . 4.020 3.746 3.237 4.010 . 0 0 "[ . 1 . 2]" 1
1141 1 90 ASP H 1 91 PHE H . . 4.240 4.254 4.113 4.349 0.109 4 0 "[ . 1 . 2]" 1
1142 1 90 ASP H 1 92 MET H . . 5.890 4.799 3.060 5.943 0.053 4 0 "[ . 1 . 2]" 1
1143 1 90 ASP H 1 93 GLY H . . 3.910 3.543 3.257 3.953 0.043 8 0 "[ . 1 . 2]" 1
1144 1 90 ASP H 1 94 GLY QA . . 4.340 2.622 1.903 3.565 . 0 0 "[ . 1 . 2]" 1
1145 1 90 ASP HA 1 90 ASP HB2 . . 3.080 2.952 2.695 3.056 . 0 0 "[ . 1 . 2]" 1
1146 1 90 ASP HA 1 91 PHE H . . 3.370 2.898 2.608 3.089 . 0 0 "[ . 1 . 2]" 1
1147 1 90 ASP HB2 1 91 PHE H . . 3.660 3.106 2.158 3.471 . 0 0 "[ . 1 . 2]" 1
1148 1 90 ASP HB2 1 92 MET H . . 6.000 5.008 2.428 6.038 0.038 20 0 "[ . 1 . 2]" 1
1149 1 90 ASP HB3 1 91 PHE H . . 3.190 1.956 1.785 2.263 . 0 0 "[ . 1 . 2]" 1
1150 1 90 ASP HB3 1 92 MET H . . 6.000 4.739 2.404 6.180 0.180 8 0 "[ . 1 . 2]" 1
1151 1 91 PHE H 1 92 MET H . . 4.490 3.878 2.737 4.637 0.147 10 0 "[ . 1 . 2]" 1
1152 1 91 PHE HA 1 92 MET H . . 3.260 3.265 3.131 3.458 0.198 17 0 "[ . 1 . 2]" 1
1153 1 91 PHE QB 1 92 MET H . . 5.650 2.387 1.915 3.108 . 0 0 "[ . 1 . 2]" 1
1154 1 91 PHE QB 1 93 GLY H . . 5.830 3.321 2.275 4.464 . 0 0 "[ . 1 . 2]" 1
1155 1 92 MET H 1 92 MET HB2 . . 3.620 2.216 2.014 3.540 . 0 0 "[ . 1 . 2]" 1
1156 1 92 MET H 1 92 MET HB3 . . 3.440 3.140 2.319 3.302 . 0 0 "[ . 1 . 2]" 1
1157 1 92 MET H 1 93 GLY H . . 3.050 2.723 2.514 2.914 . 0 0 "[ . 1 . 2]" 1
1158 1 92 MET HA 1 93 GLY H . . 3.410 3.162 2.996 3.450 0.040 10 0 "[ . 1 . 2]" 1
1159 1 92 MET HB2 1 93 GLY H . . 4.310 4.115 3.847 4.306 . 0 0 "[ . 1 . 2]" 1
1160 1 92 MET HB3 1 93 GLY H . . 4.200 4.120 3.786 4.312 0.112 8 0 "[ . 1 . 2]" 1
1161 1 92 MET QG 1 93 GLY H . . 6.880 4.490 2.528 4.920 . 0 0 "[ . 1 . 2]" 1
1162 1 93 GLY H 1 93 GLY HA3 . . 2.980 2.764 2.654 2.926 . 0 0 "[ . 1 . 2]" 1
1163 1 93 GLY H 1 94 GLY H . . 3.620 3.200 2.705 3.644 0.024 10 0 "[ . 1 . 2]" 1
1164 1 93 GLY HA2 1 94 GLY H . . 3.300 3.181 2.200 3.522 0.222 12 0 "[ . 1 . 2]" 1
1165 1 93 GLY HA3 1 94 GLY H . . 3.340 2.875 2.214 3.585 0.245 6 0 "[ . 1 . 2]" 1
1166 1 94 GLY H 1 95 GLY H . . 4.850 3.812 2.702 4.489 . 0 0 "[ . 1 . 2]" 1
1167 1 94 GLY QA 1 95 GLY H . . 3.230 2.292 2.171 2.388 . 0 0 "[ . 1 . 2]" 1
1168 1 95 GLY H 1 96 PHE H . . 4.420 4.107 1.864 4.527 0.107 13 0 "[ . 1 . 2]" 1
1169 1 95 GLY HA2 1 96 PHE H . . 3.370 2.589 2.199 3.473 0.103 10 0 "[ . 1 . 2]" 1
1170 1 95 GLY HA3 1 96 PHE H . . 3.230 2.915 2.352 3.404 0.174 11 0 "[ . 1 . 2]" 1
1171 1 96 PHE HA 1 97 THR H . . 3.160 2.230 2.193 2.317 . 0 0 "[ . 1 . 2]" 1
1172 1 96 PHE QB 1 97 THR H . . 5.260 3.283 2.884 3.633 . 0 0 "[ . 1 . 2]" 1
1173 1 98 ILE H 1 98 ILE HB . . 4.020 2.795 2.420 3.408 . 0 0 "[ . 1 . 2]" 1
1174 1 98 ILE HA 1 98 ILE HG12 . . 4.020 3.235 2.211 3.770 . 0 0 "[ . 1 . 2]" 1
1175 1 98 ILE HA 1 98 ILE HG13 . . 3.980 2.765 2.091 3.717 . 0 0 "[ . 1 . 2]" 1
1176 1 98 ILE HA 1 99 ARG H . . 3.080 2.232 2.183 2.296 . 0 0 "[ . 1 . 2]" 1
1177 1 98 ILE HB 1 99 ARG H . . 4.780 4.237 4.007 4.499 . 0 0 "[ . 1 . 2]" 1
1178 1 98 ILE MG 1 99 ARG H . . 5.700 3.127 1.950 4.200 . 0 0 "[ . 1 . 2]" 1
1179 1 98 ILE MG 1 100 ASN HB2 . . 6.060 4.746 3.750 6.235 0.175 16 0 "[ . 1 . 2]" 1
1180 1 99 ARG H 1 99 ARG HB2 . . 4.090 2.545 2.265 3.782 . 0 0 "[ . 1 . 2]" 1
1181 1 99 ARG H 1 99 ARG HB3 . . 3.730 3.242 2.755 3.625 . 0 0 "[ . 1 . 2]" 1
1182 1 100 ASN HA 1 101 PRO HD2 . . 3.620 2.536 2.318 2.773 . 0 0 "[ . 1 . 2]" 1
1183 1 100 ASN HA 1 101 PRO HD3 . . 3.800 2.001 1.970 2.060 . 0 0 "[ . 1 . 2]" 1
1184 1 101 PRO HA 1 101 PRO HB3 . . 3.010 2.303 2.302 2.303 . 0 0 "[ . 1 . 2]" 1
1185 1 101 PRO HB2 1 101 PRO HD2 . . 4.340 3.853 3.853 3.854 . 0 0 "[ . 1 . 2]" 1
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