NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
529614 |
2llv   |
18090 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2llv
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 982
_Distance_constraint_stats_list.Viol_count 1420
_Distance_constraint_stats_list.Viol_total 6878.259
_Distance_constraint_stats_list.Viol_max 1.521
_Distance_constraint_stats_list.Viol_rms 0.1075
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0159
_Distance_constraint_stats_list.Viol_average_violations_only 0.2307
_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 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 2 PRO 0.181 0.049 7 0 "[ . 1 . 2 ]"
1 3 ASP 0.965 0.301 16 0 "[ . 1 . 2 ]"
1 4 LEU 0.812 0.301 16 0 "[ . 1 . 2 ]"
1 5 GLY 0.028 0.028 1 0 "[ . 1 . 2 ]"
1 6 LEU 0.342 0.174 9 0 "[ . 1 . 2 ]"
1 7 THR 3.441 0.149 9 0 "[ . 1 . 2 ]"
1 8 GLN 0.270 0.035 4 0 "[ . 1 . 2 ]"
1 9 LEU 21.293 0.606 4 6 "[- +.* * * . * ]"
1 10 PHE 42.374 0.908 8 21 [-******+*************]
1 11 ALA 0.139 0.016 17 0 "[ . 1 . 2 ]"
1 12 ASP 0.210 0.099 1 0 "[ . 1 . 2 ]"
1 13 PRO 0.217 0.172 17 0 "[ . 1 . 2 ]"
1 14 ASN 5.195 0.451 6 0 "[ . 1 . 2 ]"
1 15 LEU 2.315 0.183 17 0 "[ . 1 . 2 ]"
1 16 ILE 73.675 1.521 10 21 [*****-***+***********]
1 17 GLU 4.549 0.451 6 0 "[ . 1 . 2 ]"
1 18 ASN 3.238 0.104 17 0 "[ . 1 . 2 ]"
1 19 LEU 53.493 1.521 10 21 [*****-***+***********]
1 20 LYS 26.708 1.439 17 21 [***********-****+****]
1 21 LYS 0.302 0.038 17 0 "[ . 1 . 2 ]"
1 22 ASN 0.204 0.028 10 0 "[ . 1 . 2 ]"
1 23 PRO 0.349 0.031 5 0 "[ . 1 . 2 ]"
1 24 LYS 0.075 0.031 6 0 "[ . 1 . 2 ]"
1 25 THR 4.901 0.212 6 0 "[ . 1 . 2 ]"
1 26 SER 7.856 0.327 10 0 "[ . 1 . 2 ]"
1 27 GLU 16.688 0.874 1 21 [+-*******************]
1 28 MET 20.070 0.874 1 21 [+-*******************]
1 29 MET 12.680 0.483 1 0 "[ . 1 . 2 ]"
1 30 LYS 2.921 0.439 5 0 "[ . 1 . 2 ]"
1 31 ASP 0.983 0.064 1 0 "[ . 1 . 2 ]"
1 32 PRO 10.159 0.536 4 14 "[ **+**** 1** ** *-*]"
1 33 GLN 2.248 0.075 10 0 "[ . 1 . 2 ]"
1 34 LEU 15.127 0.536 4 14 "[ **+**** 1** ** *-*]"
1 35 VAL 5.790 0.187 1 0 "[ . 1 . 2 ]"
1 36 ALA 11.645 0.502 1 1 "[+ . 1 . 2 ]"
1 37 LYS 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 38 LEU 29.945 1.494 16 21 [****-**********+*****]
1 39 ILE 9.372 0.502 1 1 "[+ . 1 . 2 ]"
1 40 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 41 TYR 38.209 1.494 16 21 [****-**********+*****]
1 42 LYS 5.337 0.696 1 1 "[+ . 1 . 2 ]"
1 43 GLN 3.339 0.696 1 1 "[+ . 1 . 2 ]"
1 44 ASN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 45 PRO 1.164 0.292 1 0 "[ . 1 . 2 ]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 47 ALA 0.031 0.014 19 0 "[ . 1 . 2 ]"
1 48 ILE 8.871 0.382 19 0 "[ . 1 . 2 ]"
1 49 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 50 GLN 12.641 0.303 4 0 "[ . 1 . 2 ]"
1 51 ASP 0.558 0.034 1 0 "[ . 1 . 2 ]"
1 52 LEU 10.251 0.236 10 0 "[ . 1 . 2 ]"
1 53 PHE 39.097 1.321 6 21 [*****+***-***********]
1 54 THR 0.181 0.029 12 0 "[ . 1 . 2 ]"
1 55 ASP 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 56 PRO 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 57 ARG 3.565 0.141 1 0 "[ . 1 . 2 ]"
1 58 LEU 0.885 0.091 5 0 "[ . 1 . 2 ]"
1 59 MET 38.916 1.321 6 21 [*****+***-***********]
1 60 THR 0.104 0.020 8 0 "[ . 1 . 2 ]"
1 61 ILE 18.698 0.908 8 21 [*******+*-***********]
1 62 MET 3.396 0.249 10 0 "[ . 1 . 2 ]"
1 63 ALA 3.499 0.249 10 0 "[ . 1 . 2 ]"
1 64 THR 3.433 0.130 19 0 "[ . 1 . 2 ]"
1 65 LEU 3.344 0.178 4 0 "[ . 1 . 2 ]"
1 66 MET 4.520 0.180 20 0 "[ . 1 . 2 ]"
1 67 GLY 1.007 0.070 8 0 "[ . 1 . 2 ]"
1 68 VAL 16.475 1.142 19 13 "[** *-* ** *.***+2*]"
1 69 ASP 16.781 1.142 19 13 "[** *-* ** *.***+2*]"
1 70 LEU 4.845 0.358 19 0 "[ . 1 . 2 ]"
1 71 ASN 2.688 0.358 19 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 GLN QG 1 2 PRO QD 0.000 . 5.500 3.407 2.603 3.894 . 0 0 "[ . 1 . 2 ]" 1
2 1 2 PRO HB2 1 3 ASP H 0.000 . 3.200 2.866 2.055 3.215 0.015 16 0 "[ . 1 . 2 ]" 1
3 1 2 PRO HB3 1 3 ASP H 0.000 . 4.000 3.777 3.282 4.049 0.049 7 0 "[ . 1 . 2 ]" 1
4 1 3 ASP H 1 3 ASP QB 0.000 . 3.500 2.870 2.364 3.208 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 ASP H 1 4 LEU H 0.000 . 4.500 3.579 1.946 4.618 0.118 1 0 "[ . 1 . 2 ]" 1
6 1 3 ASP HA 1 4 LEU H 0.000 . 3.200 2.606 2.141 3.501 0.301 16 0 "[ . 1 . 2 ]" 1
7 1 3 ASP QB 1 4 LEU H 0.000 . 4.700 3.143 1.813 3.928 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 LEU H 1 4 LEU QB 0.000 . 3.400 2.856 2.411 3.190 . 0 0 "[ . 1 . 2 ]" 1
9 1 4 LEU HA 1 5 GLY H 0.000 . 3.200 2.500 2.162 3.228 0.028 1 0 "[ . 1 . 2 ]" 1
10 1 4 LEU QB 1 5 GLY H 0.000 . 3.900 2.399 1.820 3.454 . 0 0 "[ . 1 . 2 ]" 1
11 1 4 LEU QD 1 60 THR H 0.000 . 6.500 4.702 4.476 4.878 . 0 0 "[ . 1 . 2 ]" 1
12 1 4 LEU QD 1 60 THR HA 0.000 . 5.500 4.110 3.710 4.251 . 0 0 "[ . 1 . 2 ]" 1
13 1 4 LEU QD 1 63 ALA H 0.000 . 6.500 2.714 2.279 3.041 . 0 0 "[ . 1 . 2 ]" 1
14 1 4 LEU QD 1 63 ALA HA 0.000 . 5.500 2.429 1.994 3.007 . 0 0 "[ . 1 . 2 ]" 1
15 1 4 LEU QD 1 63 ALA MB 0.000 . 5.500 2.825 2.456 3.151 . 0 0 "[ . 1 . 2 ]" 1
16 1 4 LEU MD2 1 5 GLY H 0.000 . 4.800 2.834 2.364 3.994 . 0 0 "[ . 1 . 2 ]" 1
17 1 5 GLY H 1 9 LEU QD 0.000 . 6.500 3.367 2.706 4.062 . 0 0 "[ . 1 . 2 ]" 1
18 1 5 GLY QA 1 6 LEU H 0.000 . 3.900 2.209 2.176 2.232 . 0 0 "[ . 1 . 2 ]" 1
19 1 5 GLY QA 1 8 GLN H 4.000 4.000 7.500 5.769 4.940 5.975 . 0 0 "[ . 1 . 2 ]" 1
20 1 6 LEU H 1 6 LEU QB 2.700 2.700 6.700 2.935 2.526 3.136 0.174 9 0 "[ . 1 . 2 ]" 1
21 1 6 LEU HA 1 9 LEU QD 3.200 3.200 6.700 4.323 3.927 4.440 . 0 0 "[ . 1 . 2 ]" 1
22 1 6 LEU QB 1 7 THR H 0.000 . 3.400 1.737 1.604 1.833 . 0 0 "[ . 1 . 2 ]" 1
23 1 6 LEU HB3 1 7 THR HA 0.000 . 5.000 4.373 4.163 4.415 . 0 0 "[ . 1 . 2 ]" 1
24 1 6 LEU QD 1 7 THR H 0.000 . 6.500 2.602 2.389 3.602 . 0 0 "[ . 1 . 2 ]" 1
25 1 6 LEU MD1 1 49 GLY HA2 0.000 . 4.800 3.859 1.872 4.074 . 0 0 "[ . 1 . 2 ]" 1
26 1 6 LEU MD2 1 10 PHE QD 5.000 5.000 8.500 5.936 5.827 6.057 . 0 0 "[ . 1 . 2 ]" 1
27 1 6 LEU MD2 1 49 GLY HA2 0.000 . 6.800 2.182 2.008 3.303 . 0 0 "[ . 1 . 2 ]" 1
28 1 6 LEU HG 1 48 ILE MG 5.000 5.000 7.700 6.422 6.295 6.476 . 0 0 "[ . 1 . 2 ]" 1
29 1 7 THR H 1 7 THR HB 0.000 . 3.500 3.561 3.550 3.571 0.071 10 0 "[ . 1 . 2 ]" 1
30 1 7 THR H 1 8 GLN QB 0.000 . 5.800 4.838 4.712 4.868 . 0 0 "[ . 1 . 2 ]" 1
31 1 7 THR H 1 48 ILE MG 0.000 . 5.800 4.624 4.451 4.832 . 0 0 "[ . 1 . 2 ]" 1
32 1 7 THR HA 1 8 GLN H 0.000 . 4.000 3.529 3.511 3.538 . 0 0 "[ . 1 . 2 ]" 1
33 1 7 THR HA 1 8 GLN QB 0.000 . 6.000 5.384 5.368 5.399 . 0 0 "[ . 1 . 2 ]" 1
34 1 7 THR HA 1 9 LEU HB2 5.000 5.000 6.000 5.097 4.962 5.294 0.038 17 0 "[ . 1 . 2 ]" 1
35 1 7 THR HA 1 9 LEU HG 5.000 5.000 7.000 6.276 5.951 6.857 . 0 0 "[ . 1 . 2 ]" 1
36 1 7 THR HA 1 10 PHE H 0.000 . 5.000 3.835 3.715 4.012 . 0 0 "[ . 1 . 2 ]" 1
37 1 7 THR HA 1 10 PHE HB3 0.000 . 6.000 5.880 5.756 6.048 0.048 19 0 "[ . 1 . 2 ]" 1
38 1 7 THR HA 1 10 PHE QD 0.000 . 4.700 2.491 2.337 2.652 . 0 0 "[ . 1 . 2 ]" 1
39 1 7 THR HA 1 42 LYS HB3 0.000 . 5.500 5.568 4.936 5.649 0.149 9 0 "[ . 1 . 2 ]" 1
40 1 7 THR HA 1 48 ILE MD 0.000 . 4.800 2.549 2.238 2.767 . 0 0 "[ . 1 . 2 ]" 1
41 1 7 THR HB 1 8 GLN H 0.000 . 4.000 3.820 3.758 3.909 . 0 0 "[ . 1 . 2 ]" 1
42 1 7 THR HG1 1 46 GLN H 0.000 . 5.800 4.054 3.925 4.279 . 0 0 "[ . 1 . 2 ]" 1
43 1 7 THR MG 1 8 GLN H 0.000 . 5.800 3.882 3.777 3.990 . 0 0 "[ . 1 . 2 ]" 1
44 1 7 THR MG 1 10 PHE QD 0.000 . 6.500 4.015 3.653 4.375 . 0 0 "[ . 1 . 2 ]" 1
45 1 7 THR MG 1 45 PRO QG 0.000 . 6.500 4.627 4.421 4.832 . 0 0 "[ . 1 . 2 ]" 1
46 1 7 THR MG 1 46 GLN HA 0.000 . 5.800 1.999 1.907 2.193 . 0 0 "[ . 1 . 2 ]" 1
47 1 7 THR MG 1 46 GLN QB 0.000 . 5.500 3.351 3.027 3.652 . 0 0 "[ . 1 . 2 ]" 1
48 1 7 THR MG 1 46 GLN QG 0.000 . 6.500 4.083 3.967 4.235 . 0 0 "[ . 1 . 2 ]" 1
49 1 7 THR MG 1 48 ILE HA 0.000 . 5.800 4.012 3.973 4.041 . 0 0 "[ . 1 . 2 ]" 1
50 1 7 THR MG 1 52 LEU MD1 0.000 . 6.800 4.854 4.601 5.026 . 0 0 "[ . 1 . 2 ]" 1
51 1 8 GLN H 1 8 GLN QB 0.000 . 3.400 2.431 2.416 2.453 . 0 0 "[ . 1 . 2 ]" 1
52 1 8 GLN H 1 9 LEU H 0.000 . 3.200 2.870 2.829 2.904 . 0 0 "[ . 1 . 2 ]" 1
53 1 8 GLN H 1 9 LEU HB2 0.000 . 5.000 4.999 4.877 5.035 0.035 4 0 "[ . 1 . 2 ]" 1
54 1 8 GLN H 1 9 LEU QD 0.000 . 7.000 4.843 4.704 5.108 . 0 0 "[ . 1 . 2 ]" 1
55 1 8 GLN HA 1 9 LEU H 0.000 . 4.000 3.564 3.555 3.578 . 0 0 "[ . 1 . 2 ]" 1
56 1 8 GLN QB 1 9 LEU H 0.000 . 3.900 2.555 2.522 2.584 . 0 0 "[ . 1 . 2 ]" 1
57 1 8 GLN QB 1 11 ALA MB 0.000 . 5.800 4.082 3.953 4.204 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 GLN QG 1 11 ALA MB 0.000 . 5.500 3.809 3.672 3.947 . 0 0 "[ . 1 . 2 ]" 1
59 1 9 LEU H 1 9 LEU HB2 0.000 . 2.700 2.440 2.297 2.512 . 0 0 "[ . 1 . 2 ]" 1
60 1 9 LEU H 1 9 LEU HB3 0.000 . 3.500 3.571 3.554 3.576 0.076 6 0 "[ . 1 . 2 ]" 1
61 1 9 LEU H 1 10 PHE HB3 0.000 . 6.500 6.218 6.202 6.237 . 0 0 "[ . 1 . 2 ]" 1
62 1 9 LEU HA 1 10 PHE H 0.000 . 4.000 3.593 3.582 3.600 . 0 0 "[ . 1 . 2 ]" 1
63 1 9 LEU HA 1 10 PHE HB2 4.000 4.000 6.700 6.627 6.612 6.634 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 LEU HB2 1 10 PHE H 0.000 . 3.200 2.274 2.201 2.462 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 LEU HB2 1 10 PHE HB2 0.000 . 6.000 5.577 5.479 5.820 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 LEU HB3 1 10 PHE H 0.000 . 4.000 3.209 3.059 3.301 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 LEU HB3 1 10 PHE QD 0.000 . 5.700 4.510 4.330 4.607 . 0 0 "[ . 1 . 2 ]" 1
68 1 9 LEU HB3 1 10 PHE QE 5.000 5.000 8.200 5.518 5.265 5.622 . 0 0 "[ . 1 . 2 ]" 1
69 1 9 LEU HB3 1 62 MET ME 0.000 . 5.800 3.751 3.223 4.019 . 0 0 "[ . 1 . 2 ]" 1
70 1 9 LEU QD 1 10 PHE H 0.000 . 6.500 3.846 3.823 3.940 . 0 0 "[ . 1 . 2 ]" 1
71 1 9 LEU QD 1 10 PHE HB2 3.200 3.200 8.200 6.203 6.187 6.213 . 0 0 "[ . 1 . 2 ]" 1
72 1 9 LEU QD 1 10 PHE QD 5.000 5.000 8.200 4.548 4.474 4.620 0.526 6 2 "[ -.+ 1 . 2 ]" 1
73 1 9 LEU QD 1 10 PHE QE 5.000 5.000 10.000 4.526 4.394 4.799 0.606 4 6 "[- +.* * * . * ]" 1
74 1 9 LEU QD 1 12 ASP H 0.000 . 7.200 5.352 5.243 5.376 . 0 0 "[ . 1 . 2 ]" 1
75 1 9 LEU QD 1 62 MET ME 0.000 . 4.700 1.990 1.902 2.492 . 0 0 "[ . 1 . 2 ]" 1
76 1 9 LEU QD 1 66 MET HG2 0.000 . 4.700 2.545 2.410 2.686 . 0 0 "[ . 1 . 2 ]" 1
77 1 9 LEU QD 1 66 MET HG3 0.000 . 4.700 3.519 3.495 3.562 . 0 0 "[ . 1 . 2 ]" 1
78 1 9 LEU HG 1 10 PHE HA 0.000 . 6.500 6.447 6.386 6.519 0.019 19 0 "[ . 1 . 2 ]" 1
79 1 10 PHE H 1 10 PHE HB2 0.000 . 4.000 3.564 3.554 3.573 . 0 0 "[ . 1 . 2 ]" 1
80 1 10 PHE H 1 10 PHE HB3 0.000 . 3.500 3.296 3.282 3.308 . 0 0 "[ . 1 . 2 ]" 1
81 1 10 PHE H 1 15 LEU MD1 5.000 5.000 10.000 5.533 5.390 5.907 . 0 0 "[ . 1 . 2 ]" 1
82 1 10 PHE H 1 16 ILE HG13 0.000 . 7.500 7.623 7.578 7.663 0.163 8 0 "[ . 1 . 2 ]" 1
83 1 10 PHE HA 1 11 ALA H 0.000 . 4.000 3.433 3.421 3.446 . 0 0 "[ . 1 . 2 ]" 1
84 1 10 PHE HA 1 15 LEU MD1 0.000 . 5.500 4.273 4.157 4.392 . 0 0 "[ . 1 . 2 ]" 1
85 1 10 PHE HA 1 15 LEU MD2 0.000 . 4.800 1.854 1.787 1.984 . 0 0 "[ . 1 . 2 ]" 1
86 1 10 PHE HA 1 48 ILE MD 5.800 5.800 7.300 6.160 6.082 6.228 . 0 0 "[ . 1 . 2 ]" 1
87 1 10 PHE HA 1 62 MET ME 0.000 . 6.500 5.488 5.138 5.595 . 0 0 "[ . 1 . 2 ]" 1
88 1 10 PHE HA 1 65 LEU MD1 0.000 . 6.500 4.261 3.899 4.436 . 0 0 "[ . 1 . 2 ]" 1
89 1 10 PHE HB2 1 11 ALA H 0.000 . 5.000 3.769 3.748 3.783 . 0 0 "[ . 1 . 2 ]" 1
90 1 10 PHE HB2 1 11 ALA HA 0.000 . 5.000 4.330 4.259 4.362 . 0 0 "[ . 1 . 2 ]" 1
91 1 10 PHE HB2 1 15 LEU HB2 5.000 5.000 10.000 5.511 5.350 5.662 . 0 0 "[ . 1 . 2 ]" 1
92 1 10 PHE HB2 1 15 LEU MD2 0.000 . 5.800 3.774 3.607 3.924 . 0 0 "[ . 1 . 2 ]" 1
93 1 10 PHE HB2 1 16 ILE HG13 0.000 . 6.800 4.747 4.602 4.811 . 0 0 "[ . 1 . 2 ]" 1
94 1 10 PHE HB2 1 42 LYS HA 4.000 4.000 6.000 4.547 4.403 4.833 . 0 0 "[ . 1 . 2 ]" 1
95 1 10 PHE HB2 1 42 LYS QB 0.000 . 5.700 3.363 2.646 3.711 . 0 0 "[ . 1 . 2 ]" 1
96 1 10 PHE HB2 1 42 LYS QG 0.000 . 5.700 2.432 2.201 3.480 . 0 0 "[ . 1 . 2 ]" 1
97 1 10 PHE HB2 1 48 ILE MG 0.000 . 6.500 5.457 5.401 5.486 . 0 0 "[ . 1 . 2 ]" 1
98 1 10 PHE HB2 1 62 MET ME 0.000 . 6.500 5.376 5.149 5.437 . 0 0 "[ . 1 . 2 ]" 1
99 1 10 PHE HB3 1 11 ALA H 0.000 . 4.500 4.505 4.480 4.516 0.016 17 0 "[ . 1 . 2 ]" 1
100 1 10 PHE HB3 1 11 ALA HA 0.000 . 6.000 5.724 5.670 5.745 . 0 0 "[ . 1 . 2 ]" 1
101 1 10 PHE HB3 1 11 ALA MB 0.000 . 7.500 5.877 5.843 5.894 . 0 0 "[ . 1 . 2 ]" 1
102 1 10 PHE HB3 1 13 PRO QD 5.000 5.000 10.000 8.407 8.322 8.648 . 0 0 "[ . 1 . 2 ]" 1
103 1 10 PHE HB3 1 16 ILE HG13 0.000 . 6.000 4.529 4.501 4.565 . 0 0 "[ . 1 . 2 ]" 1
104 1 10 PHE HB3 1 48 ILE MG 5.000 5.000 8.200 6.076 6.031 6.108 . 0 0 "[ . 1 . 2 ]" 1
105 1 10 PHE HB3 1 65 LEU MD2 0.000 . 6.000 4.990 4.811 5.037 . 0 0 "[ . 1 . 2 ]" 1
106 1 10 PHE QD 1 15 LEU MD2 0.000 . 5.500 3.260 3.141 3.419 . 0 0 "[ . 1 . 2 ]" 1
107 1 10 PHE QD 1 15 LEU HG 0.000 . 5.800 5.216 5.187 5.255 . 0 0 "[ . 1 . 2 ]" 1
108 1 10 PHE QD 1 16 ILE HG13 0.000 . 6.500 5.879 5.841 5.900 . 0 0 "[ . 1 . 2 ]" 1
109 1 10 PHE QD 1 38 LEU QD 5.000 5.000 8.200 5.104 5.030 5.219 . 0 0 "[ . 1 . 2 ]" 1
110 1 10 PHE QD 1 46 GLN HA 4.000 4.000 9.000 7.003 6.895 7.086 . 0 0 "[ . 1 . 2 ]" 1
111 1 10 PHE QD 1 48 ILE MD 0.000 . 5.500 2.620 2.589 2.680 . 0 0 "[ . 1 . 2 ]" 1
112 1 10 PHE QD 1 48 ILE MG 0.000 . 5.000 3.741 3.712 3.776 . 0 0 "[ . 1 . 2 ]" 1
113 1 10 PHE QD 1 52 LEU MD1 5.500 5.500 7.500 6.087 5.948 6.225 . 0 0 "[ . 1 . 2 ]" 1
114 1 10 PHE QD 1 52 LEU MD2 5.000 5.000 9.000 4.940 4.900 4.988 0.100 8 0 "[ . 1 . 2 ]" 1
115 1 10 PHE QD 1 61 ILE MD 0.000 . 6.500 3.533 3.356 3.800 . 0 0 "[ . 1 . 2 ]" 1
116 1 10 PHE QD 1 61 ILE MG 3.200 3.200 5.900 2.313 2.292 2.349 0.908 8 21 [*******+*-***********] 1
117 1 10 PHE QD 1 62 MET H 4.000 4.000 7.200 5.290 5.078 5.452 . 0 0 "[ . 1 . 2 ]" 1
118 1 10 PHE QD 1 62 MET ME 0.000 . 4.700 3.127 2.935 3.253 . 0 0 "[ . 1 . 2 ]" 1
119 1 10 PHE QD 1 62 MET QG 0.000 . 5.500 4.271 3.830 4.426 . 0 0 "[ . 1 . 2 ]" 1
120 1 10 PHE QD 1 65 LEU MD1 0.000 . 6.800 2.980 2.884 3.071 . 0 0 "[ . 1 . 2 ]" 1
121 1 10 PHE QD 1 65 LEU MD2 0.000 . 6.800 4.770 4.692 4.807 . 0 0 "[ . 1 . 2 ]" 1
122 1 10 PHE QE 1 15 LEU MD2 0.000 . 6.800 4.925 4.856 5.049 . 0 0 "[ . 1 . 2 ]" 1
123 1 10 PHE QE 1 38 LEU QD 4.000 4.000 7.200 5.006 4.934 5.052 . 0 0 "[ . 1 . 2 ]" 1
124 1 10 PHE QE 1 61 ILE MD 0.000 . 6.500 3.593 3.385 3.777 . 0 0 "[ . 1 . 2 ]" 1
125 1 10 PHE HZ 1 46 GLN HA 5.000 5.000 9.000 8.030 7.909 8.105 . 0 0 "[ . 1 . 2 ]" 1
126 1 10 PHE HZ 1 48 ILE HB 4.000 4.000 6.700 4.018 3.958 4.073 0.042 17 0 "[ . 1 . 2 ]" 1
127 1 10 PHE HZ 1 48 ILE MD 0.000 . 4.800 3.767 3.660 3.817 . 0 0 "[ . 1 . 2 ]" 1
128 1 10 PHE HZ 1 48 ILE HG12 0.000 . 6.500 5.944 5.691 6.024 . 0 0 "[ . 1 . 2 ]" 1
129 1 10 PHE HZ 1 48 ILE HG13 0.000 . 6.500 5.997 5.816 6.071 . 0 0 "[ . 1 . 2 ]" 1
130 1 10 PHE HZ 1 48 ILE MG 0.000 . 4.800 2.531 2.338 2.595 . 0 0 "[ . 1 . 2 ]" 1
131 1 10 PHE HZ 1 52 LEU MD1 0.000 . 4.800 3.416 3.251 3.661 . 0 0 "[ . 1 . 2 ]" 1
132 1 10 PHE HZ 1 52 LEU MD2 0.000 . 4.800 2.181 2.124 2.297 . 0 0 "[ . 1 . 2 ]" 1
133 1 10 PHE HZ 1 61 ILE MG 4.700 4.700 6.700 5.266 5.139 5.421 . 0 0 "[ . 1 . 2 ]" 1
134 1 10 PHE HZ 1 62 MET H 5.000 5.000 8.200 5.927 5.752 6.101 . 0 0 "[ . 1 . 2 ]" 1
135 1 10 PHE HZ 1 62 MET ME 0.000 . 4.800 2.377 2.225 2.456 . 0 0 "[ . 1 . 2 ]" 1
136 1 10 PHE HZ 1 62 MET QG 0.000 . 4.700 3.659 3.389 3.861 . 0 0 "[ . 1 . 2 ]" 1
137 1 10 PHE HZ 1 65 LEU MD1 0.000 . 6.500 5.421 5.332 5.489 . 0 0 "[ . 1 . 2 ]" 1
138 1 11 ALA H 1 11 ALA MB 0.000 . 3.500 2.260 2.238 2.277 . 0 0 "[ . 1 . 2 ]" 1
139 1 11 ALA H 1 12 ASP H 0.000 . 3.200 2.606 2.518 2.620 . 0 0 "[ . 1 . 2 ]" 1
140 1 11 ALA H 1 12 ASP QB 0.000 . 5.700 4.217 4.068 4.249 . 0 0 "[ . 1 . 2 ]" 1
141 1 11 ALA HA 1 12 ASP H 0.000 . 4.000 3.515 3.462 3.523 . 0 0 "[ . 1 . 2 ]" 1
142 1 11 ALA HA 1 42 LYS QB 0.000 . 5.700 2.467 2.298 2.653 . 0 0 "[ . 1 . 2 ]" 1
143 1 11 ALA HA 1 42 LYS QD 0.000 . 5.700 5.040 4.495 5.112 . 0 0 "[ . 1 . 2 ]" 1
144 1 11 ALA HA 1 42 LYS QE 0.000 . 5.700 3.285 3.008 3.714 . 0 0 "[ . 1 . 2 ]" 1
145 1 11 ALA MB 1 12 ASP H 0.000 . 4.000 2.775 2.754 2.813 . 0 0 "[ . 1 . 2 ]" 1
146 1 11 ALA MB 1 12 ASP HB3 0.000 . 6.700 5.218 5.039 5.308 . 0 0 "[ . 1 . 2 ]" 1
147 1 11 ALA MB 1 42 LYS QE 0.000 . 6.500 4.513 4.227 4.827 . 0 0 "[ . 1 . 2 ]" 1
148 1 11 ALA MB 1 48 ILE MD 0.000 . 6.500 3.771 3.609 3.929 . 0 0 "[ . 1 . 2 ]" 1
149 1 12 ASP H 1 12 ASP QB 0.000 . 3.400 2.107 2.011 2.203 . 0 0 "[ . 1 . 2 ]" 1
150 1 12 ASP H 1 13 PRO QB 0.000 . 7.500 6.649 6.578 6.666 . 0 0 "[ . 1 . 2 ]" 1
151 1 12 ASP H 1 13 PRO QD 0.000 . 5.700 4.419 4.382 4.505 . 0 0 "[ . 1 . 2 ]" 1
152 1 12 ASP H 1 15 LEU HB2 0.000 . 6.500 4.797 4.737 4.866 . 0 0 "[ . 1 . 2 ]" 1
153 1 12 ASP H 1 15 LEU HB3 4.000 4.000 7.500 5.331 5.163 5.435 . 0 0 "[ . 1 . 2 ]" 1
154 1 12 ASP H 1 15 LEU QD 0.000 . 6.500 4.306 4.206 4.506 . 0 0 "[ . 1 . 2 ]" 1
155 1 12 ASP HA 1 13 PRO QD 0.000 . 3.900 1.999 1.901 2.297 . 0 0 "[ . 1 . 2 ]" 1
156 1 12 ASP HA 1 14 ASN H 4.000 4.000 6.700 6.501 5.074 6.647 . 0 0 "[ . 1 . 2 ]" 1
157 1 12 ASP QB 1 15 LEU HB2 0.000 . 4.700 2.746 2.636 3.132 . 0 0 "[ . 1 . 2 ]" 1
158 1 12 ASP HB2 1 13 PRO QD 0.000 . 5.000 4.048 3.713 4.144 . 0 0 "[ . 1 . 2 ]" 1
159 1 12 ASP HB2 1 13 PRO QG 0.000 . 6.500 5.541 5.372 5.908 . 0 0 "[ . 1 . 2 ]" 1
160 1 12 ASP HB2 1 15 LEU H 0.000 . 6.500 6.238 6.114 6.599 0.099 1 0 "[ . 1 . 2 ]" 1
161 1 12 ASP HB2 1 15 LEU HA 3.200 3.200 8.200 6.451 6.143 6.723 . 0 0 "[ . 1 . 2 ]" 1
162 1 12 ASP HB2 1 15 LEU HB3 0.000 . 5.500 5.406 5.142 5.528 0.028 10 0 "[ . 1 . 2 ]" 1
163 1 12 ASP HB2 1 15 LEU MD1 0.000 . 5.800 4.696 4.478 4.874 . 0 0 "[ . 1 . 2 ]" 1
164 1 12 ASP HB3 1 13 PRO QD 0.000 . 4.700 3.882 2.928 4.151 . 0 0 "[ . 1 . 2 ]" 1
165 1 12 ASP HB3 1 13 PRO QG 0.000 . 6.500 4.986 4.806 5.452 . 0 0 "[ . 1 . 2 ]" 1
166 1 12 ASP HB3 1 15 LEU H 0.000 . 5.500 4.574 4.429 5.172 . 0 0 "[ . 1 . 2 ]" 1
167 1 12 ASP HB3 1 15 LEU HB3 0.000 . 6.000 4.095 3.856 4.527 . 0 0 "[ . 1 . 2 ]" 1
168 1 12 ASP HB3 1 15 LEU QD 0.000 . 6.500 3.427 3.235 3.598 . 0 0 "[ . 1 . 2 ]" 1
169 1 13 PRO HA 1 13 PRO QD 0.000 . 3.900 3.186 3.124 3.443 . 0 0 "[ . 1 . 2 ]" 1
170 1 13 PRO HA 1 14 ASN H 0.000 . 4.000 2.615 2.250 2.663 . 0 0 "[ . 1 . 2 ]" 1
171 1 13 PRO HA 1 15 LEU H 0.000 . 5.000 4.255 4.027 5.172 0.172 17 0 "[ . 1 . 2 ]" 1
172 1 13 PRO HA 1 42 LYS QE 0.000 . 6.000 5.254 5.051 5.385 . 0 0 "[ . 1 . 2 ]" 1
173 1 13 PRO QB 1 14 ASN H 0.000 . 4.300 2.463 2.369 3.798 . 0 0 "[ . 1 . 2 ]" 1
174 1 13 PRO QB 1 14 ASN HA 0.000 . 5.700 4.571 4.528 5.137 . 0 0 "[ . 1 . 2 ]" 1
175 1 13 PRO QB 1 14 ASN HD22 0.000 . 5.700 4.378 4.017 4.437 . 0 0 "[ . 1 . 2 ]" 1
176 1 13 PRO QD 1 14 ASN H 0.000 . 5.500 4.907 4.492 4.946 . 0 0 "[ . 1 . 2 ]" 1
177 1 13 PRO QG 1 14 ASN H 0.000 . 5.700 4.194 4.124 4.871 . 0 0 "[ . 1 . 2 ]" 1
178 1 13 PRO QG 1 14 ASN HD22 0.000 . 6.700 6.023 5.988 6.066 . 0 0 "[ . 1 . 2 ]" 1
179 1 14 ASN H 1 14 ASN HB2 0.000 . 3.500 3.067 3.014 3.706 0.206 17 0 "[ . 1 . 2 ]" 1
180 1 14 ASN H 1 14 ASN HB3 0.000 . 4.000 3.653 3.516 4.131 0.131 17 0 "[ . 1 . 2 ]" 1
181 1 14 ASN H 1 14 ASN HD21 0.000 . 5.000 3.950 3.883 5.050 0.050 17 0 "[ . 1 . 2 ]" 1
182 1 14 ASN H 1 14 ASN HD22 0.000 . 5.000 3.846 3.629 5.067 0.067 17 0 "[ . 1 . 2 ]" 1
183 1 14 ASN H 1 15 LEU H 0.000 . 4.500 3.850 2.950 4.137 . 0 0 "[ . 1 . 2 ]" 1
184 1 14 ASN H 1 15 LEU HB2 5.000 5.000 6.500 5.927 4.817 6.056 0.183 17 0 "[ . 1 . 2 ]" 1
185 1 14 ASN H 1 16 ILE H 0.000 . 5.800 5.175 4.584 5.603 . 0 0 "[ . 1 . 2 ]" 1
186 1 14 ASN HA 1 15 LEU H 0.000 . 4.000 2.463 2.219 2.532 . 0 0 "[ . 1 . 2 ]" 1
187 1 14 ASN HA 1 16 ILE H 0.000 . 5.000 3.080 2.966 3.198 . 0 0 "[ . 1 . 2 ]" 1
188 1 14 ASN HA 1 17 GLU H 0.000 . 5.000 3.651 3.431 4.433 . 0 0 "[ . 1 . 2 ]" 1
189 1 14 ASN HA 1 17 GLU QB 4.700 4.700 7.400 4.582 4.249 5.612 0.451 6 0 "[ . 1 . 2 ]" 1
190 1 14 ASN HA 1 17 GLU QG 0.000 . 5.700 3.599 3.194 4.619 . 0 0 "[ . 1 . 2 ]" 1
191 1 14 ASN HA 1 18 ASN H 0.000 . 6.500 5.813 5.549 6.577 0.077 17 0 "[ . 1 . 2 ]" 1
192 1 14 ASN HB2 1 14 ASN HD21 0.000 . 3.200 2.349 2.347 2.352 . 0 0 "[ . 1 . 2 ]" 1
193 1 14 ASN HB2 1 14 ASN HD22 0.000 . 4.000 3.543 3.541 3.545 . 0 0 "[ . 1 . 2 ]" 1
194 1 14 ASN HB2 1 15 LEU H 0.000 . 4.500 4.475 4.333 4.490 . 0 0 "[ . 1 . 2 ]" 1
195 1 14 ASN HB2 1 17 GLU H 3.200 3.200 8.200 5.121 4.448 5.297 . 0 0 "[ . 1 . 2 ]" 1
196 1 14 ASN HB2 1 17 GLU QB 3.200 3.200 7.200 4.656 4.249 5.225 . 0 0 "[ . 1 . 2 ]" 1
197 1 14 ASN HB3 1 14 ASN HD22 0.000 . 4.000 3.834 3.832 3.843 . 0 0 "[ . 1 . 2 ]" 1
198 1 14 ASN HB3 1 15 LEU H 0.000 . 5.000 4.258 4.025 4.325 . 0 0 "[ . 1 . 2 ]" 1
199 1 14 ASN HB3 1 17 GLU QB 3.200 3.200 5.900 3.322 3.041 4.342 0.159 6 0 "[ . 1 . 2 ]" 1
200 1 14 ASN HB3 1 17 GLU QG 0.000 . 5.700 3.029 2.591 3.340 . 0 0 "[ . 1 . 2 ]" 1
201 1 15 LEU H 1 15 LEU HB2 0.000 . 3.200 2.945 2.879 3.212 0.012 17 0 "[ . 1 . 2 ]" 1
202 1 15 LEU H 1 15 LEU HB3 0.000 . 3.200 2.668 2.499 2.719 . 0 0 "[ . 1 . 2 ]" 1
203 1 15 LEU H 1 16 ILE H 0.000 . 4.000 1.957 1.902 1.991 . 0 0 "[ . 1 . 2 ]" 1
204 1 15 LEU H 1 17 GLU H 0.000 . 5.000 3.982 3.912 4.155 . 0 0 "[ . 1 . 2 ]" 1
205 1 15 LEU H 1 18 ASN HD21 0.000 . 6.000 6.081 6.063 6.104 0.104 17 0 "[ . 1 . 2 ]" 1
206 1 15 LEU H 1 18 ASN HD22 3.200 3.200 8.200 6.602 6.514 6.820 . 0 0 "[ . 1 . 2 ]" 1
207 1 15 LEU HA 1 16 ILE H 0.000 . 4.000 3.467 3.426 3.477 . 0 0 "[ . 1 . 2 ]" 1
208 1 15 LEU HA 1 18 ASN HB2 0.000 . 5.000 3.862 3.747 4.089 . 0 0 "[ . 1 . 2 ]" 1
209 1 15 LEU HA 1 18 ASN HB3 0.000 . 5.800 5.432 5.351 5.577 . 0 0 "[ . 1 . 2 ]" 1
210 1 15 LEU HA 1 19 LEU H 0.000 . 5.000 4.691 4.499 4.847 . 0 0 "[ . 1 . 2 ]" 1
211 1 15 LEU HB2 1 16 ILE H 0.000 . 4.500 4.151 4.100 4.386 . 0 0 "[ . 1 . 2 ]" 1
212 1 15 LEU HB3 1 16 ILE H 0.000 . 4.000 3.162 3.135 3.368 . 0 0 "[ . 1 . 2 ]" 1
213 1 15 LEU MD1 1 16 ILE H 0.000 . 5.800 4.735 4.592 4.771 . 0 0 "[ . 1 . 2 ]" 1
214 1 15 LEU MD1 1 18 ASN HB2 0.000 . 5.800 3.038 2.158 3.186 . 0 0 "[ . 1 . 2 ]" 1
215 1 15 LEU MD1 1 65 LEU MD1 0.000 . 5.500 3.622 3.580 3.716 . 0 0 "[ . 1 . 2 ]" 1
216 1 15 LEU MD2 1 42 LYS QE 0.000 . 6.500 4.482 4.141 4.858 . 0 0 "[ . 1 . 2 ]" 1
217 1 16 ILE H 1 16 ILE HB 0.000 . 2.700 2.326 2.288 2.384 . 0 0 "[ . 1 . 2 ]" 1
218 1 16 ILE H 1 18 ASN H 0.000 . 5.000 4.939 4.776 4.991 . 0 0 "[ . 1 . 2 ]" 1
219 1 16 ILE H 1 19 LEU QD 5.000 5.000 7.700 3.779 3.479 3.985 1.521 10 21 [***-*****+***********] 1
220 1 16 ILE H 1 29 MET ME 0.000 . 6.500 5.298 5.259 5.339 . 0 0 "[ . 1 . 2 ]" 1
221 1 16 ILE HA 1 17 GLU H 0.000 . 4.000 3.531 3.524 3.542 . 0 0 "[ . 1 . 2 ]" 1
222 1 16 ILE HA 1 17 GLU QB 0.000 . 6.000 5.383 5.373 5.416 . 0 0 "[ . 1 . 2 ]" 1
223 1 16 ILE HA 1 18 ASN H 0.000 . 5.000 4.830 4.538 4.899 . 0 0 "[ . 1 . 2 ]" 1
224 1 16 ILE HA 1 19 LEU H 0.000 . 5.000 3.330 3.167 3.370 . 0 0 "[ . 1 . 2 ]" 1
225 1 16 ILE HA 1 19 LEU QD 0.000 . 5.800 2.002 1.954 2.090 . 0 0 "[ . 1 . 2 ]" 1
226 1 16 ILE HA 1 29 MET ME 0.000 . 4.000 3.334 3.332 3.338 . 0 0 "[ . 1 . 2 ]" 1
227 1 16 ILE HB 1 17 GLU H 0.000 . 4.000 3.238 3.192 3.257 . 0 0 "[ . 1 . 2 ]" 1
228 1 16 ILE MD 1 17 GLU H 0.000 . 6.000 5.045 5.023 5.055 . 0 0 "[ . 1 . 2 ]" 1
229 1 16 ILE MD 1 19 LEU H 5.000 5.000 7.700 6.409 6.281 6.431 . 0 0 "[ . 1 . 2 ]" 1
230 1 16 ILE MD 1 19 LEU QD 5.000 5.000 8.000 4.105 3.846 4.199 1.154 1 21 [+****-***************] 1
231 1 16 ILE MD 1 35 VAL H 0.000 . 7.000 5.951 5.901 5.970 . 0 0 "[ . 1 . 2 ]" 1
232 1 16 ILE MD 1 35 VAL HA 0.000 . 5.800 3.813 3.701 3.944 . 0 0 "[ . 1 . 2 ]" 1
233 1 16 ILE MD 1 35 VAL HB 0.000 . 5.800 4.840 4.712 4.855 . 0 0 "[ . 1 . 2 ]" 1
234 1 16 ILE MD 1 35 VAL MG1 0.000 . 5.500 2.212 2.141 2.254 . 0 0 "[ . 1 . 2 ]" 1
235 1 16 ILE MD 1 35 VAL MG2 0.000 . 5.800 3.996 3.879 4.029 . 0 0 "[ . 1 . 2 ]" 1
236 1 16 ILE MD 1 38 LEU HB2 0.000 . 5.800 4.354 4.090 4.515 . 0 0 "[ . 1 . 2 ]" 1
237 1 16 ILE MD 1 38 LEU HB3 0.000 . 5.800 4.762 4.362 4.843 . 0 0 "[ . 1 . 2 ]" 1
238 1 16 ILE MD 1 38 LEU QD 0.000 . 6.500 4.356 4.169 4.377 . 0 0 "[ . 1 . 2 ]" 1
239 1 16 ILE MD 1 39 ILE H 0.000 . 5.800 4.752 4.302 4.845 . 0 0 "[ . 1 . 2 ]" 1
240 1 16 ILE MD 1 39 ILE HB 0.000 . 5.800 4.803 4.645 4.841 . 0 0 "[ . 1 . 2 ]" 1
241 1 16 ILE MD 1 39 ILE MD 0.000 . 5.500 2.538 2.464 2.640 . 0 0 "[ . 1 . 2 ]" 1
242 1 16 ILE MD 1 39 ILE QG 0.000 . 6.500 2.350 2.236 2.393 . 0 0 "[ . 1 . 2 ]" 1
243 1 16 ILE MD 1 42 LYS QE 0.000 . 6.500 3.281 2.735 3.690 . 0 0 "[ . 1 . 2 ]" 1
244 1 16 ILE HG12 1 17 GLU H 0.000 . 5.500 5.313 5.273 5.334 . 0 0 "[ . 1 . 2 ]" 1
245 1 16 ILE HG12 1 35 VAL MG1 0.000 . 5.800 4.156 4.079 4.187 . 0 0 "[ . 1 . 2 ]" 1
246 1 16 ILE HG13 1 17 GLU H 0.000 . 5.500 4.841 4.746 4.870 . 0 0 "[ . 1 . 2 ]" 1
247 1 16 ILE HG13 1 35 VAL MG1 0.000 . 5.800 4.848 4.746 4.869 . 0 0 "[ . 1 . 2 ]" 1
248 1 16 ILE HG13 1 39 ILE MD 0.000 . 5.800 4.893 4.880 4.907 . 0 0 "[ . 1 . 2 ]" 1
249 1 16 ILE MG 1 17 GLU H 0.000 . 5.800 3.487 3.438 3.570 . 0 0 "[ . 1 . 2 ]" 1
250 1 16 ILE MG 1 17 GLU HA 0.000 . 5.800 3.220 3.174 3.326 . 0 0 "[ . 1 . 2 ]" 1
251 1 16 ILE MG 1 17 GLU QB 0.000 . 7.000 4.603 4.556 4.763 . 0 0 "[ . 1 . 2 ]" 1
252 1 16 ILE MG 1 17 GLU QG 0.000 . 6.500 3.578 3.504 3.885 . 0 0 "[ . 1 . 2 ]" 1
253 1 16 ILE MG 1 18 ASN HA 5.000 5.000 8.200 6.569 6.500 6.588 . 0 0 "[ . 1 . 2 ]" 1
254 1 16 ILE MG 1 20 LYS H 0.000 . 5.800 3.798 3.705 3.884 . 0 0 "[ . 1 . 2 ]" 1
255 1 16 ILE MG 1 20 LYS QD 0.000 . 6.500 2.973 2.819 3.267 . 0 0 "[ . 1 . 2 ]" 1
256 1 16 ILE MG 1 20 LYS QE 5.500 5.500 8.000 4.231 4.061 4.597 1.439 17 21 [***********-****+****] 1
257 1 16 ILE MG 1 29 MET H 0.000 . 6.500 5.030 4.769 5.140 . 0 0 "[ . 1 . 2 ]" 1
258 1 16 ILE MG 1 29 MET HA 0.000 . 4.800 4.066 4.043 4.104 . 0 0 "[ . 1 . 2 ]" 1
259 1 16 ILE MG 1 29 MET ME 0.000 . 4.700 2.752 2.163 2.831 . 0 0 "[ . 1 . 2 ]" 1
260 1 16 ILE MG 1 35 VAL HA 0.000 . 6.500 5.323 5.054 5.416 . 0 0 "[ . 1 . 2 ]" 1
261 1 17 GLU H 1 17 GLU QB 0.000 . 3.400 2.336 2.304 2.418 . 0 0 "[ . 1 . 2 ]" 1
262 1 17 GLU H 1 18 ASN H 0.000 . 3.200 2.792 2.762 2.809 . 0 0 "[ . 1 . 2 ]" 1
263 1 17 GLU H 1 18 ASN HA 0.000 . 5.500 5.339 5.310 5.365 . 0 0 "[ . 1 . 2 ]" 1
264 1 17 GLU H 1 18 ASN HB2 0.000 . 5.000 4.761 4.692 4.863 . 0 0 "[ . 1 . 2 ]" 1
265 1 17 GLU HA 1 18 ASN H 0.000 . 4.000 3.592 3.585 3.597 . 0 0 "[ . 1 . 2 ]" 1
266 1 17 GLU HA 1 20 LYS H 0.000 . 4.000 3.197 3.151 3.274 . 0 0 "[ . 1 . 2 ]" 1
267 1 17 GLU HA 1 20 LYS QD 0.000 . 3.900 2.387 2.108 3.036 . 0 0 "[ . 1 . 2 ]" 1
268 1 17 GLU HA 1 20 LYS QE 0.000 . 5.700 4.075 1.957 4.494 . 0 0 "[ . 1 . 2 ]" 1
269 1 17 GLU HA 1 20 LYS HG2 0.000 . 5.000 3.807 3.618 4.108 . 0 0 "[ . 1 . 2 ]" 1
270 1 17 GLU HA 1 21 LYS H 0.000 . 5.000 4.960 4.868 5.038 0.038 17 0 "[ . 1 . 2 ]" 1
271 1 17 GLU QB 1 18 ASN H 0.000 . 3.400 2.280 2.202 2.328 . 0 0 "[ . 1 . 2 ]" 1
272 1 17 GLU QG 1 18 ASN H 0.000 . 4.700 4.028 3.885 4.070 . 0 0 "[ . 1 . 2 ]" 1
273 1 17 GLU QG 1 18 ASN HA 0.000 . 6.500 5.828 5.794 5.837 . 0 0 "[ . 1 . 2 ]" 1
274 1 17 GLU QG 1 20 LYS QD 0.000 . 5.700 2.954 2.774 3.654 . 0 0 "[ . 1 . 2 ]" 1
275 1 18 ASN H 1 18 ASN HB2 0.000 . 2.700 2.621 2.587 2.630 . 0 0 "[ . 1 . 2 ]" 1
276 1 18 ASN H 1 18 ASN HB3 0.000 . 3.500 3.568 3.554 3.572 0.072 16 0 "[ . 1 . 2 ]" 1
277 1 18 ASN H 1 18 ASN HD21 0.000 . 5.000 3.580 3.546 3.597 . 0 0 "[ . 1 . 2 ]" 1
278 1 18 ASN H 1 18 ASN HD22 0.000 . 5.000 3.781 3.759 3.795 . 0 0 "[ . 1 . 2 ]" 1
279 1 18 ASN H 1 19 LEU H 0.000 . 3.200 2.825 2.695 2.854 . 0 0 "[ . 1 . 2 ]" 1
280 1 18 ASN H 1 19 LEU QD 0.000 . 6.500 4.731 4.546 4.775 . 0 0 "[ . 1 . 2 ]" 1
281 1 18 ASN H 1 21 LYS H 0.000 . 5.500 5.297 5.204 5.362 . 0 0 "[ . 1 . 2 ]" 1
282 1 18 ASN H 1 21 LYS QG 4.000 4.000 8.500 5.733 5.563 6.222 . 0 0 "[ . 1 . 2 ]" 1
283 1 18 ASN HA 1 19 LEU H 0.000 . 5.000 3.514 3.505 3.522 . 0 0 "[ . 1 . 2 ]" 1
284 1 18 ASN HB2 1 18 ASN HD22 0.000 . 4.000 3.547 3.545 3.551 . 0 0 "[ . 1 . 2 ]" 1
285 1 18 ASN HB2 1 19 LEU H 0.000 . 4.000 2.498 2.404 2.584 . 0 0 "[ . 1 . 2 ]" 1
286 1 18 ASN HB2 1 19 LEU HG 0.000 . 5.000 3.137 3.011 3.337 . 0 0 "[ . 1 . 2 ]" 1
287 1 18 ASN HB3 1 18 ASN HD22 0.000 . 4.000 3.838 3.834 3.841 . 0 0 "[ . 1 . 2 ]" 1
288 1 18 ASN HB3 1 19 LEU H 0.000 . 4.000 3.640 3.598 3.682 . 0 0 "[ . 1 . 2 ]" 1
289 1 18 ASN HB3 1 19 LEU QD 0.000 . 7.200 4.098 3.862 4.314 . 0 0 "[ . 1 . 2 ]" 1
290 1 18 ASN HB3 1 19 LEU HG 0.000 . 5.000 4.474 4.332 4.677 . 0 0 "[ . 1 . 2 ]" 1
291 1 18 ASN HB3 1 20 LYS H 0.000 . 5.500 5.433 5.301 5.466 . 0 0 "[ . 1 . 2 ]" 1
292 1 18 ASN HB3 1 21 LYS H 0.000 . 5.500 5.408 5.336 5.536 0.036 1 0 "[ . 1 . 2 ]" 1
293 1 19 LEU H 1 19 LEU HB2 0.000 . 4.000 2.547 2.474 2.584 . 0 0 "[ . 1 . 2 ]" 1
294 1 19 LEU H 1 19 LEU HB3 0.000 . 4.000 3.604 3.586 3.620 . 0 0 "[ . 1 . 2 ]" 1
295 1 19 LEU H 1 20 LYS H 0.000 . 3.200 2.745 2.707 2.770 . 0 0 "[ . 1 . 2 ]" 1
296 1 19 LEU H 1 29 MET ME 5.800 5.800 7.800 5.450 5.317 5.519 0.483 1 0 "[ . 1 . 2 ]" 1
297 1 19 LEU HA 1 20 LYS H 0.000 . 5.000 3.489 3.449 3.503 . 0 0 "[ . 1 . 2 ]" 1
298 1 19 LEU HA 1 22 ASN HB3 3.200 3.200 6.700 4.792 4.261 4.985 . 0 0 "[ . 1 . 2 ]" 1
299 1 19 LEU HA 1 26 SER HG 0.000 . 5.500 5.579 5.560 5.587 0.087 7 0 "[ . 1 . 2 ]" 1
300 1 19 LEU HB2 1 20 LYS H 0.000 . 4.000 3.049 3.000 3.070 . 0 0 "[ . 1 . 2 ]" 1
301 1 19 LEU HB3 1 20 LYS H 0.000 . 4.000 3.996 3.949 4.010 0.010 17 0 "[ . 1 . 2 ]" 1
302 1 19 LEU QD 1 20 LYS H 0.000 . 5.800 4.234 4.153 4.274 . 0 0 "[ . 1 . 2 ]" 1
303 1 19 LEU QD 1 22 ASN H 0.000 . 7.000 5.143 4.960 5.207 . 0 0 "[ . 1 . 2 ]" 1
304 1 19 LEU QD 1 22 ASN HB3 4.000 4.000 7.000 4.952 4.510 5.117 . 0 0 "[ . 1 . 2 ]" 1
305 1 19 LEU QD 1 61 ILE MD 0.000 . 6.500 2.406 1.960 2.862 . 0 0 "[ . 1 . 2 ]" 1
306 1 19 LEU QD 1 64 THR MG 0.000 . 5.000 3.461 3.450 3.477 . 0 0 "[ . 1 . 2 ]" 1
307 1 19 LEU QD 1 65 LEU MD1 0.000 . 6.500 2.534 2.291 2.952 . 0 0 "[ . 1 . 2 ]" 1
308 1 20 LYS H 1 20 LYS QB 0.000 . 3.900 2.466 2.353 2.523 . 0 0 "[ . 1 . 2 ]" 1
309 1 20 LYS H 1 21 LYS H 0.000 . 3.200 2.788 2.759 2.809 . 0 0 "[ . 1 . 2 ]" 1
310 1 20 LYS H 1 22 ASN H 0.000 . 5.000 4.904 4.720 4.956 . 0 0 "[ . 1 . 2 ]" 1
311 1 20 LYS H 1 26 SER HG 0.000 . 6.000 5.915 5.889 5.952 . 0 0 "[ . 1 . 2 ]" 1
312 1 20 LYS HA 1 21 LYS H 0.000 . 4.000 3.589 3.580 3.612 . 0 0 "[ . 1 . 2 ]" 1
313 1 20 LYS HA 1 26 SER HA 0.000 . 5.000 2.922 2.780 3.005 . 0 0 "[ . 1 . 2 ]" 1
314 1 21 LYS H 1 21 LYS QB 0.000 . 3.400 2.382 2.365 2.405 . 0 0 "[ . 1 . 2 ]" 1
315 1 21 LYS H 1 22 ASN H 0.000 . 3.200 2.768 2.702 2.937 . 0 0 "[ . 1 . 2 ]" 1
316 1 21 LYS HA 1 22 ASN H 0.000 . 4.000 3.632 3.617 3.699 . 0 0 "[ . 1 . 2 ]" 1
317 1 21 LYS HA 1 22 ASN HB3 0.000 . 6.000 5.994 5.806 6.028 0.028 10 0 "[ . 1 . 2 ]" 1
318 1 21 LYS QB 1 22 ASN H 0.000 . 3.900 2.477 2.448 2.658 . 0 0 "[ . 1 . 2 ]" 1
319 1 21 LYS QB 1 22 ASN HB3 0.000 . 6.500 4.321 4.107 4.511 . 0 0 "[ . 1 . 2 ]" 1
320 1 21 LYS QG 1 22 ASN H 3.200 3.200 5.200 4.153 4.113 4.328 . 0 0 "[ . 1 . 2 ]" 1
321 1 22 ASN H 1 22 ASN HB2 0.000 . 3.200 2.537 2.483 2.700 . 0 0 "[ . 1 . 2 ]" 1
322 1 22 ASN H 1 22 ASN HB3 0.000 . 2.700 2.501 2.281 2.545 . 0 0 "[ . 1 . 2 ]" 1
323 1 22 ASN H 1 22 ASN HD21 0.000 . 5.000 4.652 4.617 4.698 . 0 0 "[ . 1 . 2 ]" 1
324 1 22 ASN H 1 23 PRO QD 0.000 . 3.900 1.997 1.836 2.052 . 0 0 "[ . 1 . 2 ]" 1
325 1 22 ASN H 1 25 THR H 5.000 5.000 8.200 7.245 7.209 7.321 . 0 0 "[ . 1 . 2 ]" 1
326 1 22 ASN H 1 26 SER H 4.000 4.000 8.000 6.505 6.452 6.545 . 0 0 "[ . 1 . 2 ]" 1
327 1 22 ASN H 1 26 SER HG 0.000 . 6.500 5.455 5.375 5.525 . 0 0 "[ . 1 . 2 ]" 1
328 1 22 ASN H 1 64 THR MG 0.000 . 5.800 4.936 4.868 4.958 . 0 0 "[ . 1 . 2 ]" 1
329 1 22 ASN HA 1 23 PRO QD 0.000 . 3.900 3.511 3.499 3.518 . 0 0 "[ . 1 . 2 ]" 1
330 1 22 ASN HA 1 23 PRO QG 0.000 . 6.000 5.268 5.212 5.278 . 0 0 "[ . 1 . 2 ]" 1
331 1 22 ASN HA 1 24 LYS H 0.000 . 6.500 6.399 6.368 6.422 . 0 0 "[ . 1 . 2 ]" 1
332 1 22 ASN HB2 1 24 LYS H 5.000 5.000 8.200 7.906 7.837 7.926 . 0 0 "[ . 1 . 2 ]" 1
333 1 22 ASN HB2 1 25 THR H 4.000 4.000 9.000 8.676 8.657 8.724 . 0 0 "[ . 1 . 2 ]" 1
334 1 22 ASN HB2 1 26 SER HG 5.000 5.000 7.700 7.459 7.373 7.527 . 0 0 "[ . 1 . 2 ]" 1
335 1 22 ASN HB2 1 64 THR MG 0.000 . 5.800 4.759 4.474 4.829 . 0 0 "[ . 1 . 2 ]" 1
336 1 22 ASN HB3 1 23 PRO QD 0.000 . 5.700 2.331 2.285 2.546 . 0 0 "[ . 1 . 2 ]" 1
337 1 22 ASN HB3 1 24 LYS H 5.000 5.000 7.000 6.770 6.707 7.009 0.009 6 0 "[ . 1 . 2 ]" 1
338 1 22 ASN HB3 1 25 THR H 4.000 4.000 8.000 7.352 7.331 7.445 . 0 0 "[ . 1 . 2 ]" 1
339 1 22 ASN HB3 1 26 SER H 5.000 5.000 8.500 7.515 7.469 7.530 . 0 0 "[ . 1 . 2 ]" 1
340 1 22 ASN HB3 1 26 SER HG 4.000 4.000 7.200 6.826 6.752 6.898 . 0 0 "[ . 1 . 2 ]" 1
341 1 22 ASN HB3 1 64 THR MG 0.000 . 4.000 3.297 3.202 3.357 . 0 0 "[ . 1 . 2 ]" 1
342 1 22 ASN HD21 1 64 THR MG 0.000 . 5.500 2.418 2.246 4.185 . 0 0 "[ . 1 . 2 ]" 1
343 1 22 ASN HD22 1 64 THR HA 5.000 5.000 6.500 5.395 5.312 5.651 . 0 0 "[ . 1 . 2 ]" 1
344 1 22 ASN HD22 1 64 THR MG 0.000 . 4.000 3.353 3.275 3.412 . 0 0 "[ . 1 . 2 ]" 1
345 1 23 PRO HA 1 24 LYS H 0.000 . 4.000 2.244 2.218 2.253 . 0 0 "[ . 1 . 2 ]" 1
346 1 23 PRO HA 1 26 SER HA 0.000 . 7.500 7.513 7.437 7.531 0.031 5 0 "[ . 1 . 2 ]" 1
347 1 23 PRO HA 1 26 SER HB3 5.000 5.000 7.700 6.290 6.194 6.324 . 0 0 "[ . 1 . 2 ]" 1
348 1 23 PRO QB 1 24 LYS H 0.000 . 5.000 2.916 2.901 2.937 . 0 0 "[ . 1 . 2 ]" 1
349 1 23 PRO QD 1 24 LYS H 0.000 . 5.500 4.830 4.699 4.850 . 0 0 "[ . 1 . 2 ]" 1
350 1 23 PRO QG 1 24 LYS H 4.000 4.000 6.000 4.475 4.446 4.500 . 0 0 "[ . 1 . 2 ]" 1
351 1 24 LYS H 1 24 LYS QB 0.000 . 3.400 2.588 2.538 2.613 . 0 0 "[ . 1 . 2 ]" 1
352 1 24 LYS H 1 24 LYS QE 0.000 . 5.700 4.018 3.538 4.745 . 0 0 "[ . 1 . 2 ]" 1
353 1 24 LYS H 1 25 THR H 0.000 . 3.200 2.644 2.613 2.660 . 0 0 "[ . 1 . 2 ]" 1
354 1 24 LYS H 1 25 THR MG 0.000 . 5.800 3.640 3.586 3.669 . 0 0 "[ . 1 . 2 ]" 1
355 1 24 LYS H 1 26 SER H 0.000 . 5.000 4.461 4.428 4.475 . 0 0 "[ . 1 . 2 ]" 1
356 1 24 LYS H 1 60 THR MG 0.000 . 5.800 3.265 3.140 3.412 . 0 0 "[ . 1 . 2 ]" 1
357 1 24 LYS H 1 64 THR MG 0.000 . 6.500 4.571 4.485 4.714 . 0 0 "[ . 1 . 2 ]" 1
358 1 24 LYS HA 1 25 THR H 0.000 . 4.000 3.430 3.415 3.440 . 0 0 "[ . 1 . 2 ]" 1
359 1 24 LYS QB 1 25 THR H 0.000 . 3.900 3.106 3.060 3.124 . 0 0 "[ . 1 . 2 ]" 1
360 1 24 LYS QB 1 60 THR MG 0.000 . 4.000 2.848 2.625 2.979 . 0 0 "[ . 1 . 2 ]" 1
361 1 24 LYS HB2 1 25 THR MG 0.000 . 6.500 3.580 3.429 3.649 . 0 0 "[ . 1 . 2 ]" 1
362 1 24 LYS HB3 1 27 GLU HA 3.200 3.200 7.200 6.770 6.599 6.906 . 0 0 "[ . 1 . 2 ]" 1
363 1 24 LYS HB3 1 28 MET H 4.000 4.000 7.000 6.890 6.700 7.031 0.031 6 0 "[ . 1 . 2 ]" 1
364 1 24 LYS QE 1 60 THR MG 0.000 . 6.500 3.980 2.772 4.843 . 0 0 "[ . 1 . 2 ]" 1
365 1 24 LYS QG 1 25 THR H 0.000 . 5.700 4.046 4.016 4.086 . 0 0 "[ . 1 . 2 ]" 1
366 1 24 LYS QG 1 60 THR MG 0.000 . 4.700 3.531 3.523 3.542 . 0 0 "[ . 1 . 2 ]" 1
367 1 25 THR H 1 25 THR HB 0.000 . 4.000 3.555 3.536 3.562 . 0 0 "[ . 1 . 2 ]" 1
368 1 25 THR H 1 26 SER H 0.000 . 2.700 2.674 2.657 2.706 0.006 1 0 "[ . 1 . 2 ]" 1
369 1 25 THR H 1 26 SER HA 0.000 . 5.500 5.187 5.158 5.234 . 0 0 "[ . 1 . 2 ]" 1
370 1 25 THR H 1 26 SER HB2 0.000 . 6.500 6.164 6.145 6.205 . 0 0 "[ . 1 . 2 ]" 1
371 1 25 THR H 1 26 SER HB3 0.000 . 6.500 5.153 5.115 5.194 . 0 0 "[ . 1 . 2 ]" 1
372 1 25 THR H 1 26 SER HG 0.000 . 5.000 4.024 4.010 4.087 . 0 0 "[ . 1 . 2 ]" 1
373 1 25 THR H 1 27 GLU H 0.000 . 5.000 4.475 4.368 4.507 . 0 0 "[ . 1 . 2 ]" 1
374 1 25 THR H 1 28 MET HB2 4.000 4.000 8.500 7.195 7.061 7.264 . 0 0 "[ . 1 . 2 ]" 1
375 1 25 THR H 1 28 MET ME 5.000 5.000 7.700 5.543 5.369 5.635 . 0 0 "[ . 1 . 2 ]" 1
376 1 25 THR HA 1 26 SER H 0.000 . 4.000 3.483 3.474 3.489 . 0 0 "[ . 1 . 2 ]" 1
377 1 25 THR HA 1 26 SER HG 0.000 . 6.000 5.404 5.372 5.428 . 0 0 "[ . 1 . 2 ]" 1
378 1 25 THR HA 1 27 GLU H 0.000 . 5.000 3.596 3.518 3.633 . 0 0 "[ . 1 . 2 ]" 1
379 1 25 THR HA 1 28 MET H 0.000 . 5.000 3.917 3.840 3.951 . 0 0 "[ . 1 . 2 ]" 1
380 1 25 THR HA 1 28 MET QB 0.000 . 5.700 4.622 4.497 4.749 . 0 0 "[ . 1 . 2 ]" 1
381 1 25 THR HA 1 28 MET ME 0.000 . 6.800 3.239 3.035 3.326 . 0 0 "[ . 1 . 2 ]" 1
382 1 25 THR HA 1 28 MET HG2 0.000 . 5.800 5.707 5.684 5.733 . 0 0 "[ . 1 . 2 ]" 1
383 1 25 THR HA 1 28 MET HG3 4.000 4.000 6.700 3.953 3.938 3.976 0.062 6 0 "[ . 1 . 2 ]" 1
384 1 25 THR HA 1 61 ILE HA 0.000 . 6.000 5.882 5.718 6.007 0.007 4 0 "[ . 1 . 2 ]" 1
385 1 25 THR HB 1 26 SER H 0.000 . 5.000 4.028 4.011 4.085 . 0 0 "[ . 1 . 2 ]" 1
386 1 25 THR HB 1 26 SER HG 0.000 . 6.500 6.024 5.995 6.088 . 0 0 "[ . 1 . 2 ]" 1
387 1 25 THR HB 1 28 MET HB2 5.000 5.000 6.500 4.814 4.788 4.834 0.212 6 0 "[ . 1 . 2 ]" 1
388 1 25 THR HB 1 28 MET ME 0.000 . 5.800 3.150 2.885 3.276 . 0 0 "[ . 1 . 2 ]" 1
389 1 25 THR HB 1 29 MET ME 0.000 . 5.800 3.532 3.397 3.796 . 0 0 "[ . 1 . 2 ]" 1
390 1 25 THR HB 1 29 MET HG3 4.000 4.000 8.000 5.526 5.383 5.832 . 0 0 "[ . 1 . 2 ]" 1
391 1 25 THR HB 1 61 ILE MD 0.000 . 4.800 2.743 2.632 2.783 . 0 0 "[ . 1 . 2 ]" 1
392 1 25 THR MG 1 26 SER H 0.000 . 5.800 3.954 3.937 3.967 . 0 0 "[ . 1 . 2 ]" 1
393 1 25 THR MG 1 26 SER HG 4.000 4.000 6.700 5.369 5.352 5.385 . 0 0 "[ . 1 . 2 ]" 1
394 1 25 THR MG 1 28 MET H 4.800 4.800 6.800 5.588 5.541 5.602 . 0 0 "[ . 1 . 2 ]" 1
395 1 25 THR MG 1 28 MET ME 0.000 . 5.500 3.642 3.568 3.696 . 0 0 "[ . 1 . 2 ]" 1
396 1 25 THR MG 1 28 MET HG3 0.000 . 6.500 5.361 5.320 5.416 . 0 0 "[ . 1 . 2 ]" 1
397 1 25 THR MG 1 29 MET HG3 5.800 5.800 9.800 6.500 6.396 6.760 . 0 0 "[ . 1 . 2 ]" 1
398 1 25 THR MG 1 61 ILE HA 0.000 . 4.000 2.179 2.032 2.293 . 0 0 "[ . 1 . 2 ]" 1
399 1 26 SER H 1 26 SER HB2 0.000 . 3.500 3.525 3.519 3.530 0.030 19 0 "[ . 1 . 2 ]" 1
400 1 26 SER H 1 26 SER HB3 0.000 . 3.200 2.692 2.632 2.721 . 0 0 "[ . 1 . 2 ]" 1
401 1 26 SER H 1 26 SER HG 0.000 . 5.000 2.048 2.043 2.057 . 0 0 "[ . 1 . 2 ]" 1
402 1 26 SER H 1 27 GLU H 0.000 . 3.200 2.853 2.742 2.870 . 0 0 "[ . 1 . 2 ]" 1
403 1 26 SER HA 1 29 MET H 0.000 . 5.000 3.154 3.076 3.222 . 0 0 "[ . 1 . 2 ]" 1
404 1 26 SER HA 1 29 MET QB 0.000 . 4.700 2.960 2.883 3.091 . 0 0 "[ . 1 . 2 ]" 1
405 1 26 SER HA 1 29 MET HG3 0.000 . 5.000 2.732 2.621 2.855 . 0 0 "[ . 1 . 2 ]" 1
406 1 26 SER HA 1 30 LYS HG2 0.000 . 7.600 6.129 5.928 6.362 . 0 0 "[ . 1 . 2 ]" 1
407 1 26 SER QB 1 27 GLU H 0.000 . 4.700 3.657 3.636 3.681 . 0 0 "[ . 1 . 2 ]" 1
408 1 26 SER QB 1 29 MET H 4.700 4.700 6.700 4.446 4.373 4.517 0.327 10 0 "[ . 1 . 2 ]" 1
409 1 26 SER HB2 1 29 MET HB3 0.000 . 6.500 5.511 5.370 5.650 . 0 0 "[ . 1 . 2 ]" 1
410 1 26 SER HB3 1 27 GLU QB 0.000 . 7.000 6.296 6.275 6.309 . 0 0 "[ . 1 . 2 ]" 1
411 1 26 SER HB3 1 29 MET HA 5.000 5.000 8.200 7.244 7.100 7.378 . 0 0 "[ . 1 . 2 ]" 1
412 1 27 GLU H 1 27 GLU QB 0.000 . 3.400 2.318 2.245 2.387 . 0 0 "[ . 1 . 2 ]" 1
413 1 27 GLU H 1 28 MET H 0.000 . 3.200 2.748 2.703 2.770 . 0 0 "[ . 1 . 2 ]" 1
414 1 27 GLU H 1 28 MET ME 5.800 5.800 6.800 5.080 4.926 5.166 0.874 1 21 [+-*******************] 1
415 1 27 GLU H 1 29 MET H 0.000 . 5.000 4.081 4.021 4.124 . 0 0 "[ . 1 . 2 ]" 1
416 1 27 GLU H 1 57 ARG H 5.000 5.000 9.000 9.054 9.028 9.125 0.125 1 0 "[ . 1 . 2 ]" 1
417 1 27 GLU HA 1 28 MET H 0.000 . 4.000 3.565 3.551 3.572 . 0 0 "[ . 1 . 2 ]" 1
418 1 27 GLU HA 1 30 LYS H 0.000 . 4.000 3.812 3.690 3.865 . 0 0 "[ . 1 . 2 ]" 1
419 1 27 GLU HA 1 30 LYS QE 3.900 3.900 7.900 5.304 3.461 6.073 0.439 5 0 "[ . 1 . 2 ]" 1
420 1 27 GLU HA 1 30 LYS HG2 0.000 . 6.500 6.068 5.829 6.364 . 0 0 "[ . 1 . 2 ]" 1
421 1 27 GLU QB 1 28 MET H 0.000 . 4.700 2.541 2.508 2.568 . 0 0 "[ . 1 . 2 ]" 1
422 1 28 MET H 1 28 MET QB 0.000 . 3.400 2.481 2.446 2.513 . 0 0 "[ . 1 . 2 ]" 1
423 1 28 MET H 1 29 MET H 0.000 . 3.200 2.597 2.571 2.690 . 0 0 "[ . 1 . 2 ]" 1
424 1 28 MET H 1 30 LYS H 0.000 . 5.000 4.348 4.313 4.388 . 0 0 "[ . 1 . 2 ]" 1
425 1 28 MET HA 1 29 MET H 0.000 . 4.000 3.573 3.568 3.593 . 0 0 "[ . 1 . 2 ]" 1
426 1 28 MET QB 1 29 MET H 0.000 . 3.900 2.911 2.869 2.934 . 0 0 "[ . 1 . 2 ]" 1
427 1 28 MET ME 1 29 MET H 4.000 4.000 6.000 4.327 4.244 4.372 . 0 0 "[ . 1 . 2 ]" 1
428 1 28 MET ME 1 35 VAL MG2 0.000 . 6.500 4.496 3.857 4.535 . 0 0 "[ . 1 . 2 ]" 1
429 1 28 MET ME 1 57 ARG QD 0.000 . 5.800 2.605 2.452 2.731 . 0 0 "[ . 1 . 2 ]" 1
430 1 28 MET ME 1 58 LEU MD1 0.000 . 6.500 4.114 3.959 4.251 . 0 0 "[ . 1 . 2 ]" 1
431 1 28 MET HG3 1 29 MET H 0.000 . 5.000 4.452 4.401 4.517 . 0 0 "[ . 1 . 2 ]" 1
432 1 29 MET H 1 29 MET QB 0.000 . 3.400 2.453 2.431 2.499 . 0 0 "[ . 1 . 2 ]" 1
433 1 29 MET H 1 30 LYS HG2 0.000 . 6.500 5.727 5.576 5.876 . 0 0 "[ . 1 . 2 ]" 1
434 1 29 MET H 1 30 LYS HG3 0.000 . 6.500 4.240 4.106 4.513 . 0 0 "[ . 1 . 2 ]" 1
435 1 29 MET H 1 35 VAL MG2 0.000 . 5.800 3.816 3.358 3.878 . 0 0 "[ . 1 . 2 ]" 1
436 1 29 MET HA 1 30 LYS H 0.000 . 5.000 3.553 3.538 3.571 . 0 0 "[ . 1 . 2 ]" 1
437 1 29 MET HA 1 31 ASP H 0.000 . 5.000 4.540 4.362 4.582 . 0 0 "[ . 1 . 2 ]" 1
438 1 29 MET HA 1 35 VAL HA 0.000 . 6.000 4.267 4.209 4.680 . 0 0 "[ . 1 . 2 ]" 1
439 1 29 MET HA 1 35 VAL MG2 0.000 . 4.000 1.787 1.752 1.797 . 0 0 "[ . 1 . 2 ]" 1
440 1 29 MET QB 1 30 LYS H 0.000 . 4.700 2.661 2.633 2.709 . 0 0 "[ . 1 . 2 ]" 1
441 1 29 MET HB2 1 31 ASP H 0.000 . 5.000 4.987 4.956 5.011 0.011 17 0 "[ . 1 . 2 ]" 1
442 1 29 MET ME 1 35 VAL HA 0.000 . 5.800 3.952 3.843 4.065 . 0 0 "[ . 1 . 2 ]" 1
443 1 29 MET ME 1 35 VAL MG2 0.000 . 5.500 3.735 3.134 3.805 . 0 0 "[ . 1 . 2 ]" 1
444 1 29 MET ME 1 38 LEU QD 0.000 . 5.500 3.239 3.097 3.606 . 0 0 "[ . 1 . 2 ]" 1
445 1 30 LYS H 1 30 LYS HB2 0.000 . 3.200 2.337 2.279 2.373 . 0 0 "[ . 1 . 2 ]" 1
446 1 30 LYS H 1 30 LYS HB3 0.000 . 3.500 3.575 3.559 3.587 0.087 20 0 "[ . 1 . 2 ]" 1
447 1 30 LYS H 1 31 ASP H 0.000 . 3.200 2.424 2.407 2.578 . 0 0 "[ . 1 . 2 ]" 1
448 1 30 LYS H 1 31 ASP HA 5.000 5.000 6.000 5.112 5.101 5.166 . 0 0 "[ . 1 . 2 ]" 1
449 1 30 LYS H 1 31 ASP HB2 0.000 . 5.000 4.410 4.383 4.447 . 0 0 "[ . 1 . 2 ]" 1
450 1 30 LYS H 1 31 ASP HB3 0.000 . 5.800 5.843 5.838 5.864 0.064 1 0 "[ . 1 . 2 ]" 1
451 1 30 LYS HA 1 31 ASP H 0.000 . 3.600 3.480 3.473 3.507 . 0 0 "[ . 1 . 2 ]" 1
452 1 31 ASP H 1 31 ASP HB2 0.000 . 3.200 2.362 2.343 2.429 . 0 0 "[ . 1 . 2 ]" 1
453 1 31 ASP H 1 31 ASP HB3 0.000 . 3.500 3.500 3.439 3.508 0.008 18 0 "[ . 1 . 2 ]" 1
454 1 31 ASP H 1 32 PRO QD 0.000 . 5.700 2.015 1.921 2.049 . 0 0 "[ . 1 . 2 ]" 1
455 1 31 ASP HA 1 32 PRO QD 0.000 . 3.900 3.586 3.551 3.589 . 0 0 "[ . 1 . 2 ]" 1
456 1 31 ASP HA 1 32 PRO QG 3.900 3.900 6.600 5.331 5.304 5.336 . 0 0 "[ . 1 . 2 ]" 1
457 1 31 ASP HA 1 33 GLN H 0.000 . 6.500 6.427 6.116 6.452 . 0 0 "[ . 1 . 2 ]" 1
458 1 31 ASP HB2 1 32 PRO QD 0.000 . 5.000 2.053 2.029 2.171 . 0 0 "[ . 1 . 2 ]" 1
459 1 31 ASP HB2 1 33 GLN H 5.000 5.000 7.700 6.962 6.944 6.996 . 0 0 "[ . 1 . 2 ]" 1
460 1 31 ASP HB2 1 34 LEU H 5.000 5.000 8.500 7.282 7.236 7.830 . 0 0 "[ . 1 . 2 ]" 1
461 1 31 ASP HB2 1 34 LEU HB3 5.000 5.000 10.000 7.882 7.808 8.412 . 0 0 "[ . 1 . 2 ]" 1
462 1 31 ASP HB2 1 35 VAL H 5.000 5.000 9.000 7.836 7.792 8.082 . 0 0 "[ . 1 . 2 ]" 1
463 1 31 ASP HB3 1 32 PRO QD 0.000 . 4.700 2.113 1.922 2.146 . 0 0 "[ . 1 . 2 ]" 1
464 1 31 ASP HB3 1 33 GLN H 5.000 5.000 7.000 5.769 5.729 5.803 . 0 0 "[ . 1 . 2 ]" 1
465 1 31 ASP HB3 1 34 LEU H 4.000 4.000 9.000 6.667 6.620 6.978 . 0 0 "[ . 1 . 2 ]" 1
466 1 31 ASP HB3 1 34 LEU HB2 4.000 4.000 9.500 7.912 7.844 8.374 . 0 0 "[ . 1 . 2 ]" 1
467 1 31 ASP HB3 1 34 LEU HB3 5.000 5.000 9.500 7.761 7.718 7.904 . 0 0 "[ . 1 . 2 ]" 1
468 1 32 PRO HA 1 33 GLN H 0.000 . 4.000 2.272 2.088 2.286 . 0 0 "[ . 1 . 2 ]" 1
469 1 32 PRO HA 1 33 GLN HE21 4.000 4.000 7.000 5.584 5.406 7.011 0.011 1 0 "[ . 1 . 2 ]" 1
470 1 32 PRO HA 1 34 LEU HB2 5.000 5.000 6.000 5.400 5.291 5.432 . 0 0 "[ . 1 . 2 ]" 1
471 1 32 PRO HA 1 35 VAL H 4.000 4.000 5.500 5.448 5.243 5.475 . 0 0 "[ . 1 . 2 ]" 1
472 1 32 PRO HA 1 35 VAL MG2 0.000 . 5.800 4.924 4.884 4.939 . 0 0 "[ . 1 . 2 ]" 1
473 1 32 PRO HB2 1 33 GLN H 0.000 . 4.500 2.876 2.843 3.253 . 0 0 "[ . 1 . 2 ]" 1
474 1 32 PRO HB3 1 33 GLN H 0.000 . 5.000 3.489 3.461 3.652 . 0 0 "[ . 1 . 2 ]" 1
475 1 32 PRO QD 1 33 GLN H 0.000 . 5.700 4.966 4.946 4.973 . 0 0 "[ . 1 . 2 ]" 1
476 1 32 PRO QD 1 34 LEU H 5.700 5.200 6.700 4.717 4.664 5.208 0.536 4 14 "[ **+**** 1** ** *-*]" 1
477 1 33 GLN H 1 33 GLN HB2 0.000 . 4.000 2.259 2.252 2.305 . 0 0 "[ . 1 . 2 ]" 1
478 1 33 GLN H 1 33 GLN HB3 0.000 . 4.000 3.537 3.533 3.550 . 0 0 "[ . 1 . 2 ]" 1
479 1 33 GLN H 1 34 LEU H 0.000 . 2.700 2.732 2.612 2.745 0.045 4 0 "[ . 1 . 2 ]" 1
480 1 33 GLN H 1 34 LEU QD 5.000 5.000 7.700 5.206 5.178 5.289 . 0 0 "[ . 1 . 2 ]" 1
481 1 33 GLN H 1 35 VAL H 0.000 . 5.000 4.701 4.520 4.716 . 0 0 "[ . 1 . 2 ]" 1
482 1 33 GLN H 1 35 VAL MG2 0.000 . 6.500 4.940 4.930 4.946 . 0 0 "[ . 1 . 2 ]" 1
483 1 33 GLN H 1 36 ALA MB 5.800 5.800 7.800 6.069 6.050 6.133 . 0 0 "[ . 1 . 2 ]" 1
484 1 33 GLN HA 1 34 LEU H 0.000 . 4.000 3.352 3.346 3.412 . 0 0 "[ . 1 . 2 ]" 1
485 1 33 GLN HA 1 36 ALA H 0.000 . 4.000 3.744 3.725 3.796 . 0 0 "[ . 1 . 2 ]" 1
486 1 33 GLN HA 1 36 ALA MB 0.000 . 5.000 3.835 3.795 3.938 . 0 0 "[ . 1 . 2 ]" 1
487 1 33 GLN QB 1 36 ALA MB 0.000 . 5.800 3.759 3.739 3.863 . 0 0 "[ . 1 . 2 ]" 1
488 1 33 GLN HB2 1 34 LEU H 0.000 . 4.000 3.545 3.361 3.563 . 0 0 "[ . 1 . 2 ]" 1
489 1 33 GLN HB2 1 35 VAL H 0.000 . 5.500 5.332 5.204 5.344 . 0 0 "[ . 1 . 2 ]" 1
490 1 33 GLN HB2 1 36 ALA H 4.000 4.000 6.000 5.807 5.792 5.834 . 0 0 "[ . 1 . 2 ]" 1
491 1 33 GLN HB3 1 34 LEU H 0.000 . 4.000 4.070 4.041 4.075 0.075 10 0 "[ . 1 . 2 ]" 1
492 1 33 GLN HG2 1 34 LEU H 0.000 . 5.000 4.855 4.703 4.869 . 0 0 "[ . 1 . 2 ]" 1
493 1 33 GLN HG2 1 34 LEU HB2 5.000 5.000 7.000 6.900 6.819 6.917 . 0 0 "[ . 1 . 2 ]" 1
494 1 33 GLN HG2 1 36 ALA H 5.000 5.000 6.500 6.318 6.296 6.453 . 0 0 "[ . 1 . 2 ]" 1
495 1 33 GLN HG2 1 36 ALA MB 5.000 5.000 7.000 5.570 5.525 5.861 . 0 0 "[ . 1 . 2 ]" 1
496 1 33 GLN HG3 1 34 LEU H 5.000 5.000 6.000 5.653 5.506 5.665 . 0 0 "[ . 1 . 2 ]" 1
497 1 33 GLN HG3 1 34 LEU HB2 5.000 5.000 7.700 7.374 7.339 7.388 . 0 0 "[ . 1 . 2 ]" 1
498 1 33 GLN HG3 1 36 ALA H 5.000 5.000 7.000 6.750 6.729 6.907 . 0 0 "[ . 1 . 2 ]" 1
499 1 34 LEU H 1 34 LEU HB2 0.000 . 2.700 2.450 2.384 2.461 . 0 0 "[ . 1 . 2 ]" 1
500 1 34 LEU H 1 34 LEU HB3 0.000 . 3.200 2.633 2.519 2.649 . 0 0 "[ . 1 . 2 ]" 1
501 1 34 LEU H 1 35 VAL H 0.000 . 3.200 2.518 2.499 2.700 . 0 0 "[ . 1 . 2 ]" 1
502 1 34 LEU H 1 35 VAL HA 0.000 . 5.500 5.087 5.074 5.170 . 0 0 "[ . 1 . 2 ]" 1
503 1 34 LEU H 1 35 VAL MG2 0.000 . 4.800 3.534 3.508 3.736 . 0 0 "[ . 1 . 2 ]" 1
504 1 34 LEU H 1 36 ALA H 0.000 . 5.000 4.614 4.597 4.751 . 0 0 "[ . 1 . 2 ]" 1
505 1 34 LEU H 1 36 ALA MB 0.000 . 6.500 5.420 5.413 5.434 . 0 0 "[ . 1 . 2 ]" 1
506 1 34 LEU H 1 37 LYS QD 5.000 5.000 8.500 6.963 6.809 7.056 . 0 0 "[ . 1 . 2 ]" 1
507 1 34 LEU HA 1 35 VAL H 0.000 . 5.000 3.507 3.491 3.510 . 0 0 "[ . 1 . 2 ]" 1
508 1 34 LEU HA 1 35 VAL MG2 5.000 5.000 6.500 4.889 4.813 4.900 0.187 1 0 "[ . 1 . 2 ]" 1
509 1 34 LEU HA 1 37 LYS HG3 0.000 . 5.000 3.177 2.972 3.346 . 0 0 "[ . 1 . 2 ]" 1
510 1 34 LEU HA 1 38 LEU H 3.200 3.200 5.200 3.902 3.811 3.990 . 0 0 "[ . 1 . 2 ]" 1
511 1 34 LEU HB2 1 35 VAL H 0.000 . 4.000 4.020 4.008 4.119 0.119 1 0 "[ . 1 . 2 ]" 1
512 1 34 LEU HB3 1 35 VAL H 0.000 . 4.000 3.015 2.996 3.077 . 0 0 "[ . 1 . 2 ]" 1
513 1 34 LEU QD 1 37 LYS H 0.000 . 6.500 4.432 4.185 4.556 . 0 0 "[ . 1 . 2 ]" 1
514 1 34 LEU MD2 1 57 ARG QD 0.000 . 6.800 4.415 4.254 5.097 . 0 0 "[ . 1 . 2 ]" 1
515 1 35 VAL H 1 35 VAL HB 0.000 . 2.700 2.726 2.514 2.746 0.046 11 0 "[ . 1 . 2 ]" 1
516 1 35 VAL H 1 36 ALA MB 0.000 . 5.800 4.465 4.333 4.482 . 0 0 "[ . 1 . 2 ]" 1
517 1 35 VAL HA 1 36 ALA H 0.000 . 5.000 3.583 3.576 3.584 . 0 0 "[ . 1 . 2 ]" 1
518 1 35 VAL HA 1 36 ALA MB 0.000 . 6.500 5.056 5.026 5.059 . 0 0 "[ . 1 . 2 ]" 1
519 1 35 VAL HA 1 38 LEU H 0.000 . 4.000 3.862 3.587 3.909 . 0 0 "[ . 1 . 2 ]" 1
520 1 35 VAL HA 1 38 LEU HB2 0.000 . 5.000 3.013 2.688 3.085 . 0 0 "[ . 1 . 2 ]" 1
521 1 35 VAL HA 1 38 LEU HB3 0.000 . 5.000 4.613 4.263 4.697 . 0 0 "[ . 1 . 2 ]" 1
522 1 35 VAL HA 1 38 LEU QD 0.000 . 4.800 2.916 2.584 3.096 . 0 0 "[ . 1 . 2 ]" 1
523 1 35 VAL HA 1 39 ILE H 0.000 . 5.000 4.420 4.315 4.453 . 0 0 "[ . 1 . 2 ]" 1
524 1 35 VAL HB 1 36 ALA H 0.000 . 2.700 2.290 2.278 2.373 . 0 0 "[ . 1 . 2 ]" 1
525 1 35 VAL HB 1 36 ALA MB 0.000 . 4.800 3.726 3.709 3.866 . 0 0 "[ . 1 . 2 ]" 1
526 1 35 VAL MG1 1 36 ALA H 0.000 . 4.800 3.480 3.354 3.508 . 0 0 "[ . 1 . 2 ]" 1
527 1 35 VAL MG1 1 36 ALA HA 0.000 . 6.500 3.586 3.493 3.609 . 0 0 "[ . 1 . 2 ]" 1
528 1 35 VAL MG1 1 39 ILE MD 0.000 . 5.500 2.045 1.940 2.439 . 0 0 "[ . 1 . 2 ]" 1
529 1 35 VAL MG2 1 36 ALA H 0.000 . 5.800 3.548 3.533 3.721 . 0 0 "[ . 1 . 2 ]" 1
530 1 35 VAL MG2 1 36 ALA MB 4.800 4.800 8.000 4.692 4.674 4.851 0.126 8 0 "[ . 1 . 2 ]" 1
531 1 36 ALA H 1 36 ALA MB 0.000 . 3.500 2.162 2.065 2.189 . 0 0 "[ . 1 . 2 ]" 1
532 1 36 ALA H 1 39 ILE MD 0.000 . 5.800 4.040 3.968 4.092 . 0 0 "[ . 1 . 2 ]" 1
533 1 36 ALA HA 1 39 ILE H 0.000 . 4.000 3.561 3.438 3.589 . 0 0 "[ . 1 . 2 ]" 1
534 1 36 ALA HA 1 39 ILE HB 0.000 . 4.000 2.824 2.696 2.889 . 0 0 "[ . 1 . 2 ]" 1
535 1 36 ALA HA 1 39 ILE MD 0.000 . 4.800 2.344 2.210 2.516 . 0 0 "[ . 1 . 2 ]" 1
536 1 36 ALA HA 1 39 ILE QG 0.000 . 5.700 3.601 3.152 3.693 . 0 0 "[ . 1 . 2 ]" 1
537 1 36 ALA HA 1 39 ILE QG 0.000 . 4.700 3.378 3.059 3.420 . 0 0 "[ . 1 . 2 ]" 1
538 1 36 ALA HA 1 39 ILE MG 0.000 . 5.800 4.097 3.975 4.166 . 0 0 "[ . 1 . 2 ]" 1
539 1 36 ALA MB 1 37 LYS H 0.000 . 3.500 2.409 2.370 2.438 . 0 0 "[ . 1 . 2 ]" 1
540 1 36 ALA MB 1 37 LYS HA 0.000 . 4.800 3.719 3.663 3.734 . 0 0 "[ . 1 . 2 ]" 1
541 1 36 ALA MB 1 37 LYS HB2 0.000 . 5.800 4.560 4.530 4.583 . 0 0 "[ . 1 . 2 ]" 1
542 1 36 ALA MB 1 37 LYS QE 0.000 . 6.800 4.017 2.728 4.720 . 0 0 "[ . 1 . 2 ]" 1
543 1 36 ALA MB 1 39 ILE H 5.000 5.000 8.200 4.556 4.498 4.578 0.502 1 1 "[+ . 1 . 2 ]" 1
544 1 36 ALA MB 1 39 ILE HA 5.000 5.000 8.200 6.479 6.354 6.516 . 0 0 "[ . 1 . 2 ]" 1
545 1 36 ALA MB 1 39 ILE HB 0.000 . 5.800 4.205 4.129 4.263 . 0 0 "[ . 1 . 2 ]" 1
546 1 36 ALA MB 1 39 ILE MD 0.000 . 5.500 3.686 3.444 3.763 . 0 0 "[ . 1 . 2 ]" 1
547 1 37 LYS H 1 37 LYS QB 0.000 . 3.400 2.507 2.476 2.567 . 0 0 "[ . 1 . 2 ]" 1
548 1 37 LYS H 1 38 LEU H 0.000 . 3.200 2.830 2.812 2.838 . 0 0 "[ . 1 . 2 ]" 1
549 1 37 LYS H 1 39 ILE H 0.000 . 5.000 4.091 4.053 4.149 . 0 0 "[ . 1 . 2 ]" 1
550 1 37 LYS H 1 39 ILE MG 5.000 5.000 8.200 6.378 6.290 6.437 . 0 0 "[ . 1 . 2 ]" 1
551 1 37 LYS H 1 40 GLY QA 4.700 4.700 7.400 6.573 6.537 6.616 . 0 0 "[ . 1 . 2 ]" 1
552 1 37 LYS HA 1 38 LEU H 0.000 . 4.000 3.564 3.547 3.567 . 0 0 "[ . 1 . 2 ]" 1
553 1 37 LYS QB 1 38 LEU H 0.000 . 4.700 2.333 2.321 2.440 . 0 0 "[ . 1 . 2 ]" 1
554 1 37 LYS HG3 1 38 LEU H 5.000 4.500 8.200 4.696 4.685 4.800 . 0 0 "[ . 1 . 2 ]" 1
555 1 38 LEU H 1 38 LEU HB2 0.000 . 4.000 2.371 2.278 2.400 . 0 0 "[ . 1 . 2 ]" 1
556 1 38 LEU H 1 38 LEU HB3 0.000 . 3.500 3.557 3.535 3.562 0.062 7 0 "[ . 1 . 2 ]" 1
557 1 38 LEU H 1 39 ILE H 0.000 . 3.200 2.720 2.660 2.735 . 0 0 "[ . 1 . 2 ]" 1
558 1 38 LEU H 1 39 ILE HB 0.000 . 5.000 4.864 4.808 4.898 . 0 0 "[ . 1 . 2 ]" 1
559 1 38 LEU H 1 39 ILE MD 5.000 5.000 6.500 5.149 5.109 5.212 . 0 0 "[ . 1 . 2 ]" 1
560 1 38 LEU H 1 39 ILE MG 5.000 5.000 7.700 5.965 5.914 5.983 . 0 0 "[ . 1 . 2 ]" 1
561 1 38 LEU H 1 41 TYR QD 5.000 5.000 7.700 5.709 5.612 5.942 . 0 0 "[ . 1 . 2 ]" 1
562 1 38 LEU HA 1 39 ILE H 0.000 . 5.000 3.524 3.519 3.530 . 0 0 "[ . 1 . 2 ]" 1
563 1 38 LEU HA 1 41 TYR HA 0.000 . 5.500 5.033 4.893 5.092 . 0 0 "[ . 1 . 2 ]" 1
564 1 38 LEU HA 1 41 TYR QB 0.000 . 5.800 2.111 2.010 2.171 . 0 0 "[ . 1 . 2 ]" 1
565 1 38 LEU HA 1 41 TYR QD 2.700 2.700 5.900 3.122 3.002 3.368 . 0 0 "[ . 1 . 2 ]" 1
566 1 38 LEU HA 1 41 TYR QE 5.000 5.000 7.700 5.326 5.216 5.420 . 0 0 "[ . 1 . 2 ]" 1
567 1 38 LEU HB2 1 39 ILE H 0.000 . 4.000 2.844 2.809 2.888 . 0 0 "[ . 1 . 2 ]" 1
568 1 38 LEU HB3 1 39 ILE H 0.000 . 4.000 3.684 3.548 3.728 . 0 0 "[ . 1 . 2 ]" 1
569 1 38 LEU HB3 1 41 TYR H 0.000 . 5.500 5.449 5.113 5.519 0.019 14 0 "[ . 1 . 2 ]" 1
570 1 38 LEU QD 1 39 ILE H 0.000 . 5.800 4.187 4.159 4.215 . 0 0 "[ . 1 . 2 ]" 1
571 1 38 LEU QD 1 41 TYR QE 5.000 5.000 6.500 3.637 3.506 3.740 1.494 16 21 [****-**********+*****] 1
572 1 38 LEU QD 1 42 LYS H 0.000 . 5.800 4.622 4.421 4.699 . 0 0 "[ . 1 . 2 ]" 1
573 1 39 ILE H 1 39 ILE HB 0.000 . 2.700 2.364 2.313 2.441 . 0 0 "[ . 1 . 2 ]" 1
574 1 39 ILE H 1 40 GLY H 0.000 . 3.200 2.679 2.661 2.819 . 0 0 "[ . 1 . 2 ]" 1
575 1 39 ILE H 1 40 GLY QA 0.000 . 5.700 4.572 4.558 4.678 . 0 0 "[ . 1 . 2 ]" 1
576 1 39 ILE H 1 41 TYR H 4.000 4.000 7.200 4.197 4.072 4.230 . 0 0 "[ . 1 . 2 ]" 1
577 1 39 ILE H 1 42 LYS QE 4.500 4.500 7.500 5.458 4.990 5.936 . 0 0 "[ . 1 . 2 ]" 1
578 1 39 ILE HA 1 40 GLY H 0.000 . 5.000 3.556 3.536 3.570 . 0 0 "[ . 1 . 2 ]" 1
579 1 39 ILE HA 1 41 TYR H 0.000 . 5.000 4.808 4.516 4.872 . 0 0 "[ . 1 . 2 ]" 1
580 1 39 ILE HA 1 42 LYS H 0.000 . 5.000 3.274 3.121 3.360 . 0 0 "[ . 1 . 2 ]" 1
581 1 39 ILE HA 1 42 LYS QB 0.000 . 5.700 2.263 2.076 3.456 . 0 0 "[ . 1 . 2 ]" 1
582 1 39 ILE HA 1 42 LYS QD 0.000 . 5.700 1.976 1.849 2.421 . 0 0 "[ . 1 . 2 ]" 1
583 1 39 ILE HA 1 42 LYS QG 0.000 . 5.700 3.176 1.852 3.359 . 0 0 "[ . 1 . 2 ]" 1
584 1 39 ILE HB 1 40 GLY H 0.000 . 3.200 2.873 2.783 2.956 . 0 0 "[ . 1 . 2 ]" 1
585 1 39 ILE MD 1 40 GLY H 0.000 . 5.800 4.735 4.676 4.825 . 0 0 "[ . 1 . 2 ]" 1
586 1 39 ILE MD 1 41 TYR H 4.800 4.800 8.000 6.661 6.486 6.689 . 0 0 "[ . 1 . 2 ]" 1
587 1 39 ILE MD 1 42 LYS QE 0.000 . 6.500 4.742 4.398 5.122 . 0 0 "[ . 1 . 2 ]" 1
588 1 39 ILE QG 1 40 GLY H 0.000 . 5.000 4.264 4.223 4.336 . 0 0 "[ . 1 . 2 ]" 1
589 1 39 ILE MG 1 40 GLY H 0.000 . 4.800 3.357 3.278 3.440 . 0 0 "[ . 1 . 2 ]" 1
590 1 39 ILE MG 1 40 GLY QA 0.000 . 6.500 3.337 3.187 3.474 . 0 0 "[ . 1 . 2 ]" 1
591 1 39 ILE MG 1 41 TYR H 5.000 5.000 6.500 5.198 4.957 5.265 0.043 1 0 "[ . 1 . 2 ]" 1
592 1 39 ILE MG 1 42 LYS QE 0.000 . 6.500 3.763 2.674 4.377 . 0 0 "[ . 1 . 2 ]" 1
593 1 40 GLY H 1 41 TYR H 0.000 . 3.200 2.546 2.469 2.561 . 0 0 "[ . 1 . 2 ]" 1
594 1 40 GLY H 1 41 TYR HA 0.000 . 5.500 5.126 5.094 5.135 . 0 0 "[ . 1 . 2 ]" 1
595 1 40 GLY H 1 42 LYS HA 5.000 5.000 7.000 6.427 6.360 6.753 . 0 0 "[ . 1 . 2 ]" 1
596 1 40 GLY QA 1 44 ASN H 0.000 . 5.800 4.224 4.144 4.426 . 0 0 "[ . 1 . 2 ]" 1
597 1 41 TYR H 1 41 TYR QB 0.000 . 3.900 2.148 2.115 2.157 . 0 0 "[ . 1 . 2 ]" 1
598 1 41 TYR H 1 42 LYS HB3 5.000 5.000 6.500 6.293 6.231 6.430 . 0 0 "[ . 1 . 2 ]" 1
599 1 41 TYR H 1 42 LYS QG 0.000 . 5.700 4.814 3.841 4.993 . 0 0 "[ . 1 . 2 ]" 1
600 1 41 TYR HA 1 42 LYS H 0.000 . 4.000 3.468 3.458 3.492 . 0 0 "[ . 1 . 2 ]" 1
601 1 41 TYR HA 1 42 LYS QE 5.000 5.000 9.000 7.557 7.022 7.899 . 0 0 "[ . 1 . 2 ]" 1
602 1 41 TYR HA 1 43 GLN H 0.000 . 5.000 4.328 4.186 4.384 . 0 0 "[ . 1 . 2 ]" 1
603 1 41 TYR HA 1 45 PRO QD 0.000 . 5.000 2.637 2.564 2.673 . 0 0 "[ . 1 . 2 ]" 1
604 1 41 TYR QB 1 42 LYS H 0.000 . 4.800 2.971 2.942 2.995 . 0 0 "[ . 1 . 2 ]" 1
605 1 41 TYR QB 1 44 ASN H 4.700 4.700 7.900 5.818 5.681 5.858 . 0 0 "[ . 1 . 2 ]" 1
606 1 41 TYR QB 1 48 ILE HG13 0.000 . 6.000 5.353 5.318 5.384 . 0 0 "[ . 1 . 2 ]" 1
607 1 41 TYR QB 1 48 ILE MG 5.000 5.000 8.200 4.688 4.618 4.727 0.382 19 0 "[ . 1 . 2 ]" 1
608 1 41 TYR HB2 1 47 ALA MB 4.000 4.000 7.500 6.281 6.271 6.294 . 0 0 "[ . 1 . 2 ]" 1
609 1 41 TYR HB2 1 48 ILE MD 0.000 . 5.800 4.911 4.870 4.951 . 0 0 "[ . 1 . 2 ]" 1
610 1 41 TYR HB2 1 48 ILE HG12 0.000 . 5.000 5.081 5.065 5.099 0.099 14 0 "[ . 1 . 2 ]" 1
611 1 41 TYR HB3 1 42 LYS HB3 0.000 . 6.500 6.136 5.868 6.218 . 0 0 "[ . 1 . 2 ]" 1
612 1 41 TYR HB3 1 48 ILE MD 0.000 . 4.800 3.810 3.736 3.903 . 0 0 "[ . 1 . 2 ]" 1
613 1 41 TYR HB3 1 48 ILE HG12 0.000 . 5.500 4.371 4.340 4.398 . 0 0 "[ . 1 . 2 ]" 1
614 1 41 TYR QD 1 42 LYS H 4.000 4.000 5.500 4.303 4.264 4.351 . 0 0 "[ . 1 . 2 ]" 1
615 1 41 TYR QD 1 44 ASN H 5.000 5.000 7.700 6.135 5.887 6.200 . 0 0 "[ . 1 . 2 ]" 1
616 1 41 TYR QD 1 45 PRO HA 5.700 5.700 8.400 5.646 5.408 5.717 0.292 1 0 "[ . 1 . 2 ]" 1
617 1 41 TYR QD 1 47 ALA MB 0.000 . 5.500 4.080 4.070 4.098 . 0 0 "[ . 1 . 2 ]" 1
618 1 41 TYR QD 1 48 ILE H 0.000 . 6.500 5.292 5.161 5.327 . 0 0 "[ . 1 . 2 ]" 1
619 1 41 TYR QD 1 48 ILE HA 4.000 4.000 6.500 4.093 4.031 4.128 . 0 0 "[ . 1 . 2 ]" 1
620 1 41 TYR QD 1 48 ILE HB 0.000 . 6.500 5.265 5.174 5.294 . 0 0 "[ . 1 . 2 ]" 1
621 1 41 TYR QD 1 48 ILE MD 0.000 . 5.500 2.857 2.798 2.919 . 0 0 "[ . 1 . 2 ]" 1
622 1 41 TYR QD 1 48 ILE HG12 0.000 . 6.500 2.891 2.795 2.916 . 0 0 "[ . 1 . 2 ]" 1
623 1 41 TYR QD 1 48 ILE HG13 0.000 . 6.500 4.348 4.274 4.376 . 0 0 "[ . 1 . 2 ]" 1
624 1 41 TYR QD 1 48 ILE MG 0.000 . 7.000 2.989 2.891 3.062 . 0 0 "[ . 1 . 2 ]" 1
625 1 41 TYR QE 1 42 LYS H 5.000 5.000 7.700 6.283 6.247 6.330 . 0 0 "[ . 1 . 2 ]" 1
626 1 41 TYR QE 1 47 ALA MB 0.000 . 4.700 2.388 2.271 2.466 . 0 0 "[ . 1 . 2 ]" 1
627 1 41 TYR QE 1 48 ILE H 0.000 . 6.500 4.235 4.057 4.290 . 0 0 "[ . 1 . 2 ]" 1
628 1 41 TYR QE 1 48 ILE HA 0.000 . 4.700 2.139 1.967 2.192 . 0 0 "[ . 1 . 2 ]" 1
629 1 41 TYR QE 1 48 ILE HB 0.000 . 5.700 4.292 4.130 4.329 . 0 0 "[ . 1 . 2 ]" 1
630 1 41 TYR QE 1 48 ILE MD 0.000 . 5.500 3.602 3.474 3.651 . 0 0 "[ . 1 . 2 ]" 1
631 1 41 TYR QE 1 48 ILE HG12 0.000 . 6.500 2.657 2.502 2.712 . 0 0 "[ . 1 . 2 ]" 1
632 1 41 TYR QE 1 48 ILE HG13 0.000 . 6.500 4.038 3.906 4.092 . 0 0 "[ . 1 . 2 ]" 1
633 1 41 TYR QE 1 48 ILE MG 0.000 . 6.500 1.980 1.890 2.018 . 0 0 "[ . 1 . 2 ]" 1
634 1 41 TYR QE 1 58 LEU MD1 0.000 . 6.500 3.494 3.414 3.575 . 0 0 "[ . 1 . 2 ]" 1
635 1 41 TYR QE 1 58 LEU MD2 0.000 . 6.500 4.894 4.868 4.911 . 0 0 "[ . 1 . 2 ]" 1
636 1 42 LYS H 1 42 LYS QB 0.000 . 3.900 2.224 2.139 2.827 . 0 0 "[ . 1 . 2 ]" 1
637 1 42 LYS H 1 43 GLN H 0.000 . 3.200 2.668 2.556 2.707 . 0 0 "[ . 1 . 2 ]" 1
638 1 42 LYS H 1 48 ILE MD 0.000 . 5.000 3.619 3.529 3.704 . 0 0 "[ . 1 . 2 ]" 1
639 1 42 LYS QB 1 48 ILE MD 0.000 . 5.500 3.554 3.331 3.623 . 0 0 "[ . 1 . 2 ]" 1
640 1 42 LYS QE 1 43 GLN H 5.000 5.000 7.700 4.899 4.304 5.455 0.696 1 1 "[+ . 1 . 2 ]" 1
641 1 42 LYS QE 1 43 GLN HA 5.000 5.000 8.500 5.122 4.971 5.646 0.029 15 0 "[ . 1 . 2 ]" 1
642 1 42 LYS QG 1 43 GLN H 0.000 . 5.700 4.317 3.571 4.398 . 0 0 "[ . 1 . 2 ]" 1
643 1 43 GLN H 1 43 GLN HB2 0.000 . 3.200 2.409 2.393 2.437 . 0 0 "[ . 1 . 2 ]" 1
644 1 43 GLN H 1 44 ASN H 0.000 . 2.900 2.577 2.549 2.772 . 0 0 "[ . 1 . 2 ]" 1
645 1 43 GLN H 1 44 ASN HA 0.000 . 5.500 5.215 5.194 5.369 . 0 0 "[ . 1 . 2 ]" 1
646 1 43 GLN HA 1 44 ASN H 0.000 . 4.000 3.566 3.563 3.578 . 0 0 "[ . 1 . 2 ]" 1
647 1 43 GLN HA 1 44 ASN HA 0.000 . 5.000 4.587 4.536 4.598 . 0 0 "[ . 1 . 2 ]" 1
648 1 43 GLN HA 1 44 ASN HB3 4.000 4.000 6.700 6.114 6.098 6.139 . 0 0 "[ . 1 . 2 ]" 1
649 1 43 GLN QB 1 44 ASN H 0.000 . 3.200 2.423 2.407 2.458 . 0 0 "[ . 1 . 2 ]" 1
650 1 43 GLN QG 1 44 ASN H 0.000 . 4.700 4.054 4.003 4.124 . 0 0 "[ . 1 . 2 ]" 1
651 1 44 ASN H 1 44 ASN HB2 0.000 . 3.200 2.521 2.480 2.676 . 0 0 "[ . 1 . 2 ]" 1
652 1 44 ASN H 1 44 ASN HB3 0.000 . 3.200 2.717 2.694 2.823 . 0 0 "[ . 1 . 2 ]" 1
653 1 44 ASN H 1 45 PRO QD 0.000 . 3.900 1.862 1.770 1.871 . 0 0 "[ . 1 . 2 ]" 1
654 1 44 ASN HA 1 45 PRO QD 0.000 . 3.900 3.491 3.490 3.494 . 0 0 "[ . 1 . 2 ]" 1
655 1 44 ASN HA 1 46 GLN H 4.000 4.000 5.500 5.361 5.123 5.391 . 0 0 "[ . 1 . 2 ]" 1
656 1 44 ASN HB2 1 45 PRO QD 0.000 . 5.700 3.085 3.041 3.353 . 0 0 "[ . 1 . 2 ]" 1
657 1 44 ASN HB2 1 47 ALA H 5.000 5.000 9.000 8.405 8.345 8.498 . 0 0 "[ . 1 . 2 ]" 1
658 1 44 ASN HB3 1 45 PRO QD 0.000 . 5.700 2.091 2.052 2.480 . 0 0 "[ . 1 . 2 ]" 1
659 1 44 ASN HB3 1 47 ALA H 5.000 5.000 8.200 6.935 6.869 7.111 . 0 0 "[ . 1 . 2 ]" 1
660 1 44 ASN HB3 1 47 ALA MB 3.500 3.500 9.000 6.899 6.801 6.959 . 0 0 "[ . 1 . 2 ]" 1
661 1 45 PRO HA 1 46 GLN H 0.000 . 4.000 2.215 2.210 2.227 . 0 0 "[ . 1 . 2 ]" 1
662 1 45 PRO HA 1 47 ALA H 0.000 . 5.000 3.252 3.115 3.290 . 0 0 "[ . 1 . 2 ]" 1
663 1 45 PRO HA 1 48 ILE H 0.000 . 5.500 5.474 5.350 5.499 . 0 0 "[ . 1 . 2 ]" 1
664 1 45 PRO HA 1 48 ILE HB 5.000 5.000 7.700 7.525 7.494 7.566 . 0 0 "[ . 1 . 2 ]" 1
665 1 45 PRO HA 1 48 ILE MD . 3.200 6.800 5.778 5.725 5.866 . 0 0 "[ . 1 . 2 ]" 1
666 1 45 PRO HA 1 48 ILE HG12 3.200 3.200 8.200 6.256 6.154 6.322 . 0 0 "[ . 1 . 2 ]" 1
667 1 45 PRO HA 1 48 ILE HG13 5.000 5.000 7.700 5.358 5.343 5.389 . 0 0 "[ . 1 . 2 ]" 1
668 1 45 PRO HA 1 48 ILE MG 5.800 5.800 9.000 7.572 7.532 7.583 . 0 0 "[ . 1 . 2 ]" 1
669 1 45 PRO QB 1 46 GLN H 0.000 . 5.700 3.704 3.696 3.735 . 0 0 "[ . 1 . 2 ]" 1
670 1 45 PRO QB 1 48 ILE H 0.000 . 5.700 4.196 4.117 4.229 . 0 0 "[ . 1 . 2 ]" 1
671 1 45 PRO QB 1 48 ILE MD 5.000 4.000 7.700 4.714 4.691 4.753 . 0 0 "[ . 1 . 2 ]" 1
672 1 45 PRO QB 1 48 ILE MG 5.000 5.000 8.200 5.871 5.817 5.897 . 0 0 "[ . 1 . 2 ]" 1
673 1 45 PRO QD 1 46 GLN H 0.000 . 5.700 4.605 4.441 4.624 . 0 0 "[ . 1 . 2 ]" 1
674 1 45 PRO QG 1 46 GLN H 4.700 4.700 7.400 4.832 4.732 4.862 . 0 0 "[ . 1 . 2 ]" 1
675 1 45 PRO QG 1 47 ALA MB 0.000 . 7.000 3.848 3.796 3.935 . 0 0 "[ . 1 . 2 ]" 1
676 1 46 GLN H 1 46 GLN QB 0.000 . 3.400 2.463 2.451 2.515 . 0 0 "[ . 1 . 2 ]" 1
677 1 46 GLN H 1 47 ALA H 0.000 . 3.200 2.870 2.743 2.886 . 0 0 "[ . 1 . 2 ]" 1
678 1 46 GLN H 1 47 ALA MB 0.000 . 5.800 4.392 4.306 4.413 . 0 0 "[ . 1 . 2 ]" 1
679 1 46 GLN H 1 48 ILE H 0.000 . 5.000 4.771 4.681 4.785 . 0 0 "[ . 1 . 2 ]" 1
680 1 46 GLN HA 1 47 ALA H 0.000 . 4.000 3.351 3.330 3.357 . 0 0 "[ . 1 . 2 ]" 1
681 1 46 GLN HA 1 47 ALA MB 0.000 . 5.800 4.901 4.861 4.906 . 0 0 "[ . 1 . 2 ]" 1
682 1 46 GLN HA 1 48 ILE H 0.000 . 5.000 3.305 3.232 3.325 . 0 0 "[ . 1 . 2 ]" 1
683 1 46 GLN HA 1 48 ILE HG13 0.000 . 5.500 3.620 3.386 3.694 . 0 0 "[ . 1 . 2 ]" 1
684 1 46 GLN HA 1 49 GLY H 0.000 . 5.000 4.655 4.591 4.749 . 0 0 "[ . 1 . 2 ]" 1
685 1 46 GLN QB 1 47 ALA H 0.000 . 4.700 3.328 3.199 3.344 . 0 0 "[ . 1 . 2 ]" 1
686 1 46 GLN QB 1 47 ALA HA 0.000 . 5.700 4.002 3.986 4.080 . 0 0 "[ . 1 . 2 ]" 1
687 1 46 GLN QG 1 47 ALA H 0.000 . 5.000 4.372 4.240 4.390 . 0 0 "[ . 1 . 2 ]" 1
688 1 47 ALA H 1 47 ALA MB 0.000 . 3.500 2.198 2.179 2.209 . 0 0 "[ . 1 . 2 ]" 1
689 1 47 ALA H 1 48 ILE H 0.000 . 3.200 2.759 2.734 2.858 . 0 0 "[ . 1 . 2 ]" 1
690 1 47 ALA H 1 48 ILE HB 0.000 . 5.500 5.302 5.276 5.425 . 0 0 "[ . 1 . 2 ]" 1
691 1 47 ALA H 1 48 ILE MD 0.000 . 6.500 5.087 5.039 5.247 . 0 0 "[ . 1 . 2 ]" 1
692 1 47 ALA H 1 48 ILE HG13 0.000 . 5.000 3.737 3.691 3.912 . 0 0 "[ . 1 . 2 ]" 1
693 1 47 ALA H 1 48 ILE MG 3.200 3.200 8.200 5.866 5.844 5.999 . 0 0 "[ . 1 . 2 ]" 1
694 1 47 ALA HA 1 48 ILE H 0.000 . 3.500 3.383 3.353 3.394 . 0 0 "[ . 1 . 2 ]" 1
695 1 47 ALA HA 1 49 GLY H 0.000 . 5.000 3.714 3.684 3.738 . 0 0 "[ . 1 . 2 ]" 1
696 1 47 ALA HA 1 50 GLN H 0.000 . 4.000 3.974 3.672 4.014 0.014 19 0 "[ . 1 . 2 ]" 1
697 1 47 ALA HA 1 50 GLN QB 0.000 . 5.700 4.325 3.998 4.378 . 0 0 "[ . 1 . 2 ]" 1
698 1 47 ALA HA 1 50 GLN QG 0.000 . 6.800 3.880 3.746 3.984 . 0 0 "[ . 1 . 2 ]" 1
699 1 47 ALA MB 1 48 ILE H 0.000 . 4.000 3.278 3.262 3.291 . 0 0 "[ . 1 . 2 ]" 1
700 1 47 ALA MB 1 48 ILE HA 0.000 . 4.800 3.870 3.829 3.923 . 0 0 "[ . 1 . 2 ]" 1
701 1 47 ALA MB 1 48 ILE HB 0.000 . 6.500 5.331 5.312 5.351 . 0 0 "[ . 1 . 2 ]" 1
702 1 47 ALA MB 1 48 ILE MD 5.000 5.000 8.200 5.150 5.128 5.177 . 0 0 "[ . 1 . 2 ]" 1
703 1 47 ALA MB 1 48 ILE MG 5.000 5.000 7.700 5.111 5.094 5.142 . 0 0 "[ . 1 . 2 ]" 1
704 1 47 ALA MB 1 50 GLN QB 0.000 . 6.500 3.781 3.601 3.837 . 0 0 "[ . 1 . 2 ]" 1
705 1 47 ALA MB 1 50 GLN QG 3.200 3.200 8.200 4.316 4.058 4.470 . 0 0 "[ . 1 . 2 ]" 1
706 1 48 ILE H 1 48 ILE HB 0.000 . 3.200 2.633 2.618 2.648 . 0 0 "[ . 1 . 2 ]" 1
707 1 48 ILE H 1 49 GLY H 0.000 . 4.000 2.585 2.574 2.614 . 0 0 "[ . 1 . 2 ]" 1
708 1 48 ILE H 1 49 GLY HA2 0.000 . 5.500 5.135 5.124 5.184 . 0 0 "[ . 1 . 2 ]" 1
709 1 48 ILE H 1 49 GLY HA3 0.000 . 5.500 4.873 4.860 4.909 . 0 0 "[ . 1 . 2 ]" 1
710 1 48 ILE H 1 50 GLN H 0.000 . 5.000 4.392 4.342 4.411 . 0 0 "[ . 1 . 2 ]" 1
711 1 48 ILE HA 1 49 GLY H 0.000 . 4.000 3.496 3.491 3.500 . 0 0 "[ . 1 . 2 ]" 1
712 1 48 ILE HA 1 51 ASP H 0.000 . 4.000 3.153 3.038 3.198 . 0 0 "[ . 1 . 2 ]" 1
713 1 48 ILE HA 1 51 ASP QB 0.000 . 3.900 2.472 2.276 2.562 . 0 0 "[ . 1 . 2 ]" 1
714 1 48 ILE HB 1 49 GLY H 0.000 . 4.000 2.965 2.849 3.002 . 0 0 "[ . 1 . 2 ]" 1
715 1 48 ILE HB 1 49 GLY HA3 0.000 . 5.000 4.677 4.621 4.721 . 0 0 "[ . 1 . 2 ]" 1
716 1 48 ILE HB 1 50 GLN H 0.000 . 6.000 5.042 5.006 5.077 . 0 0 "[ . 1 . 2 ]" 1
717 1 48 ILE HB 1 51 ASP H 5.000 5.000 8.200 5.238 5.104 5.312 . 0 0 "[ . 1 . 2 ]" 1
718 1 48 ILE HB 1 51 ASP HA 3.200 3.200 8.200 7.754 7.616 7.838 . 0 0 "[ . 1 . 2 ]" 1
719 1 48 ILE HB 1 51 ASP QB 4.000 4.000 7.200 5.006 4.877 5.105 . 0 0 "[ . 1 . 2 ]" 1
720 1 48 ILE MD 1 49 GLY H 0.000 . 6.500 4.911 4.810 4.963 . 0 0 "[ . 1 . 2 ]" 1
721 1 48 ILE MD 1 52 LEU H 5.000 5.000 10.000 6.412 6.349 6.453 . 0 0 "[ . 1 . 2 ]" 1
722 1 48 ILE MD 1 58 LEU HB3 4.000 4.000 7.200 6.030 5.997 6.058 . 0 0 "[ . 1 . 2 ]" 1
723 1 48 ILE HG12 1 49 GLY H 0.000 . 5.500 4.899 4.819 4.929 . 0 0 "[ . 1 . 2 ]" 1
724 1 48 ILE HG12 1 51 ASP HA 3.200 3.200 8.200 7.476 7.314 7.565 . 0 0 "[ . 1 . 2 ]" 1
725 1 48 ILE HG12 1 52 LEU H 5.000 5.000 8.200 6.606 6.554 6.642 . 0 0 "[ . 1 . 2 ]" 1
726 1 48 ILE HG13 1 52 LEU HG 5.000 5.000 10.000 6.848 6.766 6.920 . 0 0 "[ . 1 . 2 ]" 1
727 1 48 ILE MG 1 49 GLY H 0.000 . 4.800 3.841 3.782 3.855 . 0 0 "[ . 1 . 2 ]" 1
728 1 48 ILE MG 1 49 GLY HA2 0.000 . 4.800 3.793 3.763 3.825 . 0 0 "[ . 1 . 2 ]" 1
729 1 48 ILE MG 1 49 GLY HA3 0.000 . 5.800 4.873 4.852 4.890 . 0 0 "[ . 1 . 2 ]" 1
730 1 48 ILE MG 1 52 LEU H 0.000 . 6.500 3.586 3.476 3.653 . 0 0 "[ . 1 . 2 ]" 1
731 1 48 ILE MG 1 52 LEU HB3 0.000 . 6.000 5.095 5.078 5.117 . 0 0 "[ . 1 . 2 ]" 1
732 1 48 ILE MG 1 58 LEU HB3 4.000 4.000 7.500 3.983 3.956 4.061 0.044 11 0 "[ . 1 . 2 ]" 1
733 1 49 GLY H 1 49 GLY HA2 2.700 2.700 6.700 2.803 2.794 2.812 . 0 0 "[ . 1 . 2 ]" 1
734 1 49 GLY H 1 49 GLY HA3 0.000 . 2.700 2.295 2.292 2.301 . 0 0 "[ . 1 . 2 ]" 1
735 1 49 GLY H 1 52 LEU HB3 3.200 3.200 9.200 7.683 7.532 7.780 . 0 0 "[ . 1 . 2 ]" 1
736 1 49 GLY H 1 52 LEU MD1 3.200 3.200 8.200 4.670 4.406 4.831 . 0 0 "[ . 1 . 2 ]" 1
737 1 49 GLY H 1 52 LEU MD2 3.200 3.200 8.200 5.287 5.188 5.457 . 0 0 "[ . 1 . 2 ]" 1
738 1 49 GLY HA2 1 50 GLN H 0.000 . 4.000 3.499 3.490 3.522 . 0 0 "[ . 1 . 2 ]" 1
739 1 49 GLY HA2 1 50 GLN QB 0.000 . 6.500 5.490 5.478 5.503 . 0 0 "[ . 1 . 2 ]" 1
740 1 49 GLY HA2 1 50 GLN QG 0.000 . 6.000 4.872 4.825 4.920 . 0 0 "[ . 1 . 2 ]" 1
741 1 49 GLY HA2 1 52 LEU H 0.000 . 5.000 4.015 3.836 4.105 . 0 0 "[ . 1 . 2 ]" 1
742 1 49 GLY HA2 1 52 LEU HB2 4.000 4.000 6.700 4.467 4.235 4.622 . 0 0 "[ . 1 . 2 ]" 1
743 1 49 GLY HA2 1 52 LEU HB3 4.000 4.000 7.500 5.408 5.139 5.549 . 0 0 "[ . 1 . 2 ]" 1
744 1 49 GLY HA2 1 52 LEU QD 0.000 . 5.500 2.389 2.020 2.630 . 0 0 "[ . 1 . 2 ]" 1
745 1 49 GLY HA3 1 50 GLN H 0.000 . 3.200 2.999 2.903 3.031 . 0 0 "[ . 1 . 2 ]" 1
746 1 50 GLN H 1 50 GLN QB 2.700 2.700 6.700 2.406 2.397 2.421 0.303 4 0 "[ . 1 . 2 ]" 1
747 1 50 GLN H 1 51 ASP H 0.000 . 3.200 2.257 2.239 2.357 . 0 0 "[ . 1 . 2 ]" 1
748 1 50 GLN H 1 52 LEU MD1 5.000 5.000 8.200 4.880 4.764 5.197 0.236 10 0 "[ . 1 . 2 ]" 1
749 1 50 GLN HA 1 51 ASP H 0.000 . 4.000 3.474 3.442 3.481 . 0 0 "[ . 1 . 2 ]" 1
750 1 50 GLN HA 1 52 LEU H 0.000 . 4.000 4.177 4.161 4.185 0.185 8 0 "[ . 1 . 2 ]" 1
751 1 50 GLN QB 1 51 ASP H 2.700 2.700 6.700 2.884 2.830 3.052 . 0 0 "[ . 1 . 2 ]" 1
752 1 50 GLN QB 1 51 ASP HA 0.000 . 5.700 3.840 3.808 3.955 . 0 0 "[ . 1 . 2 ]" 1
753 1 51 ASP H 1 51 ASP HB3 0.000 . 3.500 3.527 3.519 3.534 0.034 1 0 "[ . 1 . 2 ]" 1
754 1 51 ASP HA 1 53 PHE H 3.200 3.200 8.200 4.203 3.838 4.356 . 0 0 "[ . 1 . 2 ]" 1
755 1 51 ASP HA 1 54 THR H 0.000 . 5.000 2.978 2.919 3.051 . 0 0 "[ . 1 . 2 ]" 1
756 1 51 ASP HA 1 54 THR MG 0.000 . 6.500 2.664 2.479 2.752 . 0 0 "[ . 1 . 2 ]" 1
757 1 51 ASP HB3 1 58 LEU MD2 4.000 4.000 6.500 5.617 5.522 5.683 . 0 0 "[ . 1 . 2 ]" 1
758 1 52 LEU H 1 52 LEU HB2 0.000 . 3.200 2.801 2.681 2.827 . 0 0 "[ . 1 . 2 ]" 1
759 1 52 LEU H 1 52 LEU HB3 0.000 . 3.500 3.600 3.596 3.604 0.104 7 0 "[ . 1 . 2 ]" 1
760 1 52 LEU H 1 53 PHE H 0.000 . 4.000 2.866 2.685 2.939 . 0 0 "[ . 1 . 2 ]" 1
761 1 52 LEU H 1 54 THR H 0.000 . 5.000 4.087 4.049 4.133 . 0 0 "[ . 1 . 2 ]" 1
762 1 52 LEU H 1 55 ASP HA 5.000 5.000 9.000 7.099 7.045 7.216 . 0 0 "[ . 1 . 2 ]" 1
763 1 52 LEU H 1 58 LEU MD2 0.000 . 6.500 5.900 5.723 6.044 . 0 0 "[ . 1 . 2 ]" 1
764 1 52 LEU HA 1 53 PHE H 0.000 . 5.000 3.529 3.484 3.539 . 0 0 "[ . 1 . 2 ]" 1
765 1 52 LEU HA 1 58 LEU HB2 0.000 . 4.000 2.794 2.620 2.866 . 0 0 "[ . 1 . 2 ]" 1
766 1 52 LEU HA 1 58 LEU MD2 0.000 . 4.800 4.793 4.626 4.891 0.091 5 0 "[ . 1 . 2 ]" 1
767 1 52 LEU HB2 1 53 PHE H 0.000 . 4.000 2.295 2.168 2.568 . 0 0 "[ . 1 . 2 ]" 1
768 1 52 LEU HB3 1 53 PHE H 0.000 . 4.000 3.568 3.455 3.725 . 0 0 "[ . 1 . 2 ]" 1
769 1 52 LEU HB3 1 55 ASP HB2 5.000 4.500 8.200 6.087 6.004 6.324 . 0 0 "[ . 1 . 2 ]" 1
770 1 52 LEU QD 1 53 PHE H 0.000 . 6.500 3.799 3.712 3.984 . 0 0 "[ . 1 . 2 ]" 1
771 1 52 LEU QD 1 58 LEU H 0.000 . 6.500 4.527 4.411 4.575 . 0 0 "[ . 1 . 2 ]" 1
772 1 52 LEU QD 1 58 LEU HB2 0.000 . 6.500 2.837 2.645 2.907 . 0 0 "[ . 1 . 2 ]" 1
773 1 52 LEU QD 1 59 MET H 0.000 . 6.500 3.527 3.440 3.601 . 0 0 "[ . 1 . 2 ]" 1
774 1 52 LEU QD 1 59 MET HA 0.000 . 5.500 2.878 2.833 2.942 . 0 0 "[ . 1 . 2 ]" 1
775 1 52 LEU MD1 1 55 ASP H 5.000 5.000 7.700 6.210 6.175 6.294 . 0 0 "[ . 1 . 2 ]" 1
776 1 52 LEU MD1 1 59 MET HB2 0.000 . 5.800 5.459 5.428 5.471 . 0 0 "[ . 1 . 2 ]" 1
777 1 52 LEU MD1 1 59 MET HB3 0.000 . 5.800 4.855 4.833 4.881 . 0 0 "[ . 1 . 2 ]" 1
778 1 52 LEU MD1 1 59 MET ME 0.000 . 5.500 2.940 2.856 3.306 . 0 0 "[ . 1 . 2 ]" 1
779 1 52 LEU MD1 1 62 MET ME 0.000 . 4.700 3.546 3.263 3.865 . 0 0 "[ . 1 . 2 ]" 1
780 1 52 LEU MD1 1 62 MET QG 0.000 . 4.800 2.952 2.678 3.266 . 0 0 "[ . 1 . 2 ]" 1
781 1 52 LEU MD2 1 59 MET HB2 0.000 . 6.500 4.843 4.797 4.856 . 0 0 "[ . 1 . 2 ]" 1
782 1 52 LEU MD2 1 59 MET HB3 0.000 . 5.800 4.894 4.867 4.930 . 0 0 "[ . 1 . 2 ]" 1
783 1 52 LEU MD2 1 59 MET ME 0.000 . 5.500 3.818 3.743 3.843 . 0 0 "[ . 1 . 2 ]" 1
784 1 52 LEU MD2 1 62 MET QG 0.000 . 5.500 2.773 2.611 3.078 . 0 0 "[ . 1 . 2 ]" 1
785 1 53 PHE H 1 53 PHE QB 0.000 . 3.200 2.441 2.379 2.530 . 0 0 "[ . 1 . 2 ]" 1
786 1 53 PHE H 1 54 THR H 0.000 . 3.200 2.893 2.683 2.936 . 0 0 "[ . 1 . 2 ]" 1
787 1 53 PHE H 1 54 THR HA 0.000 . 5.500 5.499 5.339 5.529 0.029 12 0 "[ . 1 . 2 ]" 1
788 1 53 PHE H 1 54 THR MG 0.000 . 5.000 4.184 4.010 4.202 . 0 0 "[ . 1 . 2 ]" 1
789 1 53 PHE H 1 55 ASP H 0.000 . 5.000 4.043 3.942 4.117 . 0 0 "[ . 1 . 2 ]" 1
790 1 53 PHE H 1 59 MET ME 0.000 . 6.800 2.847 2.649 3.233 . 0 0 "[ . 1 . 2 ]" 1
791 1 53 PHE HA 1 54 THR H 0.000 . 4.000 3.515 3.499 3.522 . 0 0 "[ . 1 . 2 ]" 1
792 1 53 PHE HA 1 59 MET ME 0.000 . 5.800 2.141 2.006 2.415 . 0 0 "[ . 1 . 2 ]" 1
793 1 53 PHE QB 1 54 THR H 0.000 . 4.000 2.710 2.668 2.756 . 0 0 "[ . 1 . 2 ]" 1
794 1 53 PHE QB 1 54 THR MG 0.000 . 5.800 2.792 2.750 2.853 . 0 0 "[ . 1 . 2 ]" 1
795 1 53 PHE QB 1 59 MET ME 5.000 5.000 7.500 3.735 3.679 3.883 1.321 6 21 [-****+***************] 1
796 1 53 PHE QD 1 59 MET ME 0.000 . 4.700 3.297 3.053 3.492 . 0 0 "[ . 1 . 2 ]" 1
797 1 53 PHE HZ 1 59 MET ME 5.000 5.000 8.200 4.415 4.164 5.066 0.836 12 17 "[ ***.*** -*+*** *****]" 1
798 1 54 THR H 1 54 THR HB 0.000 . 4.000 3.681 3.666 3.697 . 0 0 "[ . 1 . 2 ]" 1
799 1 54 THR H 1 55 ASP HA 0.000 . 5.500 4.992 4.986 5.005 . 0 0 "[ . 1 . 2 ]" 1
800 1 54 THR HA 1 55 ASP H 0.000 . 4.000 3.449 3.439 3.475 . 0 0 "[ . 1 . 2 ]" 1
801 1 54 THR HB 1 55 ASP H 0.000 . 5.000 4.081 3.998 4.130 . 0 0 "[ . 1 . 2 ]" 1
802 1 54 THR HG1 1 55 ASP H 0.000 . 5.800 3.006 2.572 3.483 . 0 0 "[ . 1 . 2 ]" 1
803 1 55 ASP H 1 55 ASP HB2 0.000 . 3.200 2.656 2.634 2.697 . 0 0 "[ . 1 . 2 ]" 1
804 1 55 ASP H 1 55 ASP HB3 0.000 . 3.200 2.891 2.843 2.918 . 0 0 "[ . 1 . 2 ]" 1
805 1 55 ASP H 1 56 PRO QD 0.000 . 4.700 4.138 3.921 4.204 . 0 0 "[ . 1 . 2 ]" 1
806 1 55 ASP H 1 58 LEU MD2 4.000 4.000 10.000 6.468 6.233 6.558 . 0 0 "[ . 1 . 2 ]" 1
807 1 55 ASP HA 1 56 PRO QB 0.000 . 6.500 4.685 4.626 4.722 . 0 0 "[ . 1 . 2 ]" 1
808 1 55 ASP HA 1 57 ARG H 0.000 . 6.500 4.290 4.051 4.372 . 0 0 "[ . 1 . 2 ]" 1
809 1 55 ASP HB2 1 58 LEU MD2 0.000 . 5.800 5.087 4.796 5.215 . 0 0 "[ . 1 . 2 ]" 1
810 1 56 PRO HA 1 57 ARG H 0.000 . 5.000 3.590 3.583 3.594 . 0 0 "[ . 1 . 2 ]" 1
811 1 56 PRO HA 1 58 LEU H 0.000 . 5.000 4.577 4.454 4.667 . 0 0 "[ . 1 . 2 ]" 1
812 1 56 PRO HA 1 59 MET H 0.000 . 5.800 4.126 3.934 4.237 . 0 0 "[ . 1 . 2 ]" 1
813 1 56 PRO QB 1 57 ARG H 0.000 . 4.700 2.693 2.295 2.954 . 0 0 "[ . 1 . 2 ]" 1
814 1 56 PRO QD 1 57 ARG H 0.000 . 5.700 2.748 2.503 2.856 . 0 0 "[ . 1 . 2 ]" 1
815 1 57 ARG H 1 57 ARG HB2 2.700 2.700 6.700 2.584 2.559 2.594 0.141 1 0 "[ . 1 . 2 ]" 1
816 1 57 ARG H 1 57 ARG HB3 2.700 2.700 6.700 3.617 3.599 3.621 . 0 0 "[ . 1 . 2 ]" 1
817 1 57 ARG H 1 58 LEU HB3 0.000 . 6.800 6.220 6.157 6.262 . 0 0 "[ . 1 . 2 ]" 1
818 1 57 ARG H 1 58 LEU MD2 5.000 5.000 8.200 5.978 5.917 6.028 . 0 0 "[ . 1 . 2 ]" 1
819 1 57 ARG HA 1 58 LEU H 0.000 . 5.000 3.550 3.536 3.562 . 0 0 "[ . 1 . 2 ]" 1
820 1 57 ARG QB 1 58 LEU H 0.000 . 3.900 2.772 2.735 2.823 . 0 0 "[ . 1 . 2 ]" 1
821 1 57 ARG HB3 1 60 THR HB 0.000 . 5.500 3.807 3.787 3.822 . 0 0 "[ . 1 . 2 ]" 1
822 1 57 ARG HB3 1 60 THR MG 0.000 . 5.800 4.854 4.840 4.863 . 0 0 "[ . 1 . 2 ]" 1
823 1 57 ARG QD 1 58 LEU H 0.000 . 6.000 4.947 4.899 4.997 . 0 0 "[ . 1 . 2 ]" 1
824 1 57 ARG QD 1 58 LEU HB3 5.000 5.000 9.000 7.817 7.760 7.878 . 0 0 "[ . 1 . 2 ]" 1
825 1 57 ARG QD 1 58 LEU MD1 5.000 5.000 8.200 6.547 6.438 6.656 . 0 0 "[ . 1 . 2 ]" 1
826 1 57 ARG QD 1 60 THR MG 4.000 4.000 9.000 5.712 5.651 5.790 . 0 0 "[ . 1 . 2 ]" 1
827 1 58 LEU H 1 58 LEU HB2 0.000 . 3.200 2.296 2.262 2.321 . 0 0 "[ . 1 . 2 ]" 1
828 1 58 LEU H 1 58 LEU HB3 2.700 2.700 6.700 3.575 3.554 3.591 . 0 0 "[ . 1 . 2 ]" 1
829 1 58 LEU H 1 59 MET QG 0.000 . 6.800 4.523 4.398 4.614 . 0 0 "[ . 1 . 2 ]" 1
830 1 58 LEU H 1 60 THR H 3.200 3.200 8.200 4.288 4.254 4.341 . 0 0 "[ . 1 . 2 ]" 1
831 1 58 LEU H 1 62 MET H 5.000 5.000 8.200 6.455 6.385 6.498 . 0 0 "[ . 1 . 2 ]" 1
832 1 58 LEU HA 1 59 MET H 0.000 . 4.000 3.518 3.502 3.522 . 0 0 "[ . 1 . 2 ]" 1
833 1 58 LEU HA 1 61 ILE H 0.000 . 4.000 3.599 3.477 3.642 . 0 0 "[ . 1 . 2 ]" 1
834 1 58 LEU HA 1 61 ILE HA 0.000 . 5.800 5.481 5.407 5.537 . 0 0 "[ . 1 . 2 ]" 1
835 1 58 LEU HA 1 61 ILE HB 0.000 . 3.200 3.132 3.013 3.208 0.008 17 0 "[ . 1 . 2 ]" 1
836 1 58 LEU HA 1 61 ILE MD 0.000 . 4.800 2.038 1.913 2.165 . 0 0 "[ . 1 . 2 ]" 1
837 1 58 LEU HB2 1 59 MET H 0.000 . 4.000 2.901 2.857 2.931 . 0 0 "[ . 1 . 2 ]" 1
838 1 58 LEU HB3 1 59 MET H 0.000 . 4.000 3.451 3.413 3.497 . 0 0 "[ . 1 . 2 ]" 1
839 1 58 LEU HB3 1 61 ILE H 4.000 4.000 6.700 5.475 5.295 5.520 . 0 0 "[ . 1 . 2 ]" 1
840 1 58 LEU HB3 1 62 MET H 0.000 . 5.500 5.291 5.149 5.372 . 0 0 "[ . 1 . 2 ]" 1
841 1 58 LEU HB3 1 62 MET ME 3.200 3.200 8.200 5.063 4.825 5.268 . 0 0 "[ . 1 . 2 ]" 1
842 1 58 LEU MD1 1 59 MET H 0.000 . 5.800 4.718 4.665 4.775 . 0 0 "[ . 1 . 2 ]" 1
843 1 58 LEU MD2 1 59 MET H 0.000 . 5.800 4.649 4.604 4.674 . 0 0 "[ . 1 . 2 ]" 1
844 1 59 MET H 1 59 MET QB 0.000 . 3.400 2.341 2.326 2.378 . 0 0 "[ . 1 . 2 ]" 1
845 1 59 MET H 1 60 THR H 0.000 . 3.200 2.664 2.630 2.687 . 0 0 "[ . 1 . 2 ]" 1
846 1 59 MET H 1 60 THR HA 0.000 . 5.500 5.286 5.252 5.307 . 0 0 "[ . 1 . 2 ]" 1
847 1 59 MET H 1 61 ILE H 0.000 . 5.000 4.214 4.184 4.241 . 0 0 "[ . 1 . 2 ]" 1
848 1 59 MET H 1 62 MET ME 5.800 5.800 8.500 6.480 6.379 6.651 . 0 0 "[ . 1 . 2 ]" 1
849 1 59 MET HA 1 60 THR H 0.000 . 4.000 3.560 3.555 3.569 . 0 0 "[ . 1 . 2 ]" 1
850 1 59 MET HA 1 62 MET H 0.000 . 4.000 3.248 3.102 3.337 . 0 0 "[ . 1 . 2 ]" 1
851 1 59 MET QB 1 60 THR H 0.000 . 3.900 2.670 2.601 2.746 . 0 0 "[ . 1 . 2 ]" 1
852 1 59 MET QG 1 63 ALA MB 5.000 5.000 8.200 6.100 5.956 6.153 . 0 0 "[ . 1 . 2 ]" 1
853 1 60 THR H 1 60 THR HB 0.000 . 3.200 2.582 2.535 2.612 . 0 0 "[ . 1 . 2 ]" 1
854 1 60 THR H 1 61 ILE H 0.000 . 3.200 2.652 2.627 2.663 . 0 0 "[ . 1 . 2 ]" 1
855 1 60 THR H 1 62 MET H 0.000 . 5.000 4.065 3.987 4.096 . 0 0 "[ . 1 . 2 ]" 1
856 1 60 THR H 1 62 MET QG 0.000 . 6.500 4.847 4.610 5.496 . 0 0 "[ . 1 . 2 ]" 1
857 1 60 THR H 1 63 ALA MB 0.000 . 5.800 4.786 4.636 4.849 . 0 0 "[ . 1 . 2 ]" 1
858 1 60 THR HA 1 61 ILE H 0.000 . 5.000 3.537 3.523 3.545 . 0 0 "[ . 1 . 2 ]" 1
859 1 60 THR HA 1 63 ALA H 0.000 . 5.000 3.221 2.986 3.298 . 0 0 "[ . 1 . 2 ]" 1
860 1 60 THR HA 1 63 ALA MB 0.000 . 4.000 2.544 2.285 2.639 . 0 0 "[ . 1 . 2 ]" 1
861 1 60 THR HB 1 61 ILE H 0.000 . 3.200 2.573 2.553 2.643 . 0 0 "[ . 1 . 2 ]" 1
862 1 60 THR HB 1 63 ALA H 0.000 . 5.500 5.457 5.281 5.520 0.020 8 0 "[ . 1 . 2 ]" 1
863 1 60 THR HB 1 63 ALA MB 0.000 . 6.500 4.869 4.650 4.989 . 0 0 "[ . 1 . 2 ]" 1
864 1 60 THR MG 1 61 ILE H 0.000 . 4.800 3.577 3.512 3.646 . 0 0 "[ . 1 . 2 ]" 1
865 1 60 THR MG 1 61 ILE HA 0.000 . 5.800 3.910 3.695 4.002 . 0 0 "[ . 1 . 2 ]" 1
866 1 61 ILE H 1 61 ILE HB 0.000 . 2.700 2.640 2.513 2.714 0.014 6 0 "[ . 1 . 2 ]" 1
867 1 61 ILE H 1 62 MET H 0.000 . 3.200 2.788 2.706 2.809 . 0 0 "[ . 1 . 2 ]" 1
868 1 61 ILE H 1 62 MET QG 4.000 4.000 6.700 4.349 4.168 4.892 . 0 0 "[ . 1 . 2 ]" 1
869 1 61 ILE HA 1 62 MET H 0.000 . 5.000 3.513 3.501 3.521 . 0 0 "[ . 1 . 2 ]" 1
870 1 61 ILE HA 1 62 MET HA 0.000 . 5.000 4.848 4.826 4.880 . 0 0 "[ . 1 . 2 ]" 1
871 1 61 ILE HA 1 63 ALA HA 5.000 5.000 7.000 6.638 6.539 6.683 . 0 0 "[ . 1 . 2 ]" 1
872 1 61 ILE HA 1 64 THR H 0.000 . 5.000 3.784 3.686 3.836 . 0 0 "[ . 1 . 2 ]" 1
873 1 61 ILE HA 1 64 THR HA 0.000 . 6.000 5.965 5.876 6.006 0.006 10 0 "[ . 1 . 2 ]" 1
874 1 61 ILE HA 1 64 THR HB 0.000 . 5.000 4.849 4.781 4.922 . 0 0 "[ . 1 . 2 ]" 1
875 1 61 ILE HA 1 64 THR MG 0.000 . 5.800 4.021 3.908 4.136 . 0 0 "[ . 1 . 2 ]" 1
876 1 61 ILE HA 1 65 LEU H 4.000 4.000 6.000 4.449 4.310 4.593 . 0 0 "[ . 1 . 2 ]" 1
877 1 61 ILE HB 1 62 MET H 0.000 . 4.000 2.428 2.342 2.502 . 0 0 "[ . 1 . 2 ]" 1
878 1 61 ILE HB 1 62 MET QG 0.000 . 5.700 3.104 2.951 3.508 . 0 0 "[ . 1 . 2 ]" 1
879 1 61 ILE MD 1 62 MET H 0.000 . 5.800 4.263 4.136 4.341 . 0 0 "[ . 1 . 2 ]" 1
880 1 61 ILE MD 1 62 MET QG 0.000 . 6.800 4.349 4.088 4.719 . 0 0 "[ . 1 . 2 ]" 1
881 1 61 ILE HG13 1 62 MET H 0.000 . 5.000 4.051 3.966 4.150 . 0 0 "[ . 1 . 2 ]" 1
882 1 61 ILE HG13 1 64 THR HB 5.000 5.000 8.200 7.835 7.673 7.976 . 0 0 "[ . 1 . 2 ]" 1
883 1 61 ILE MG 1 62 MET H 0.000 . 4.800 3.432 3.321 3.555 . 0 0 "[ . 1 . 2 ]" 1
884 1 61 ILE MG 1 62 MET HA 0.000 . 5.800 3.599 3.437 3.795 . 0 0 "[ . 1 . 2 ]" 1
885 1 61 ILE MG 1 64 THR HB 0.000 . 7.000 5.016 4.847 5.128 . 0 0 "[ . 1 . 2 ]" 1
886 1 61 ILE MG 1 65 LEU MD1 0.000 . 4.200 2.007 1.828 2.284 . 0 0 "[ . 1 . 2 ]" 1
887 1 62 MET H 1 62 MET QB 0.000 . 3.400 2.491 2.282 2.565 . 0 0 "[ . 1 . 2 ]" 1
888 1 62 MET H 1 63 ALA H 0.000 . 3.200 2.755 2.727 2.776 . 0 0 "[ . 1 . 2 ]" 1
889 1 62 MET H 1 63 ALA MB 0.000 . 5.800 4.322 4.272 4.361 . 0 0 "[ . 1 . 2 ]" 1
890 1 62 MET H 1 65 LEU MD1 0.000 . 5.800 3.871 3.689 3.995 . 0 0 "[ . 1 . 2 ]" 1
891 1 62 MET HA 1 63 ALA H 0.000 . 4.000 3.539 3.531 3.551 . 0 0 "[ . 1 . 2 ]" 1
892 1 62 MET HA 1 65 LEU MD1 0.000 . 4.800 2.201 2.036 2.479 . 0 0 "[ . 1 . 2 ]" 1
893 1 62 MET HA 1 66 MET H 0.000 . 5.000 3.975 3.669 4.261 . 0 0 "[ . 1 . 2 ]" 1
894 1 62 MET HB2 1 63 ALA H 0.000 . 4.000 2.519 2.407 2.772 . 0 0 "[ . 1 . 2 ]" 1
895 1 62 MET HB2 1 65 LEU MD1 0.000 . 5.800 4.837 4.708 4.905 . 0 0 "[ . 1 . 2 ]" 1
896 1 62 MET HB3 1 63 ALA H 0.000 . 3.400 3.562 3.401 3.649 0.249 10 0 "[ . 1 . 2 ]" 1
897 1 62 MET ME 1 63 ALA H 4.000 4.000 6.700 5.266 5.078 5.654 . 0 0 "[ . 1 . 2 ]" 1
898 1 62 MET ME 1 66 MET H 5.000 5.000 8.000 5.347 5.209 5.616 . 0 0 "[ . 1 . 2 ]" 1
899 1 62 MET QG 1 63 ALA H 0.000 . 5.800 3.938 3.824 4.284 . 0 0 "[ . 1 . 2 ]" 1
900 1 62 MET QG 1 63 ALA MB 5.000 5.000 8.200 5.150 5.041 5.469 . 0 0 "[ . 1 . 2 ]" 1
901 1 63 ALA H 1 63 ALA MB 0.000 . 3.500 2.120 2.059 2.151 . 0 0 "[ . 1 . 2 ]" 1
902 1 63 ALA H 1 64 THR H 0.000 . 3.200 3.052 2.989 3.072 . 0 0 "[ . 1 . 2 ]" 1
903 1 63 ALA HA 1 64 THR H 0.000 . 4.000 3.601 3.593 3.607 . 0 0 "[ . 1 . 2 ]" 1
904 1 63 ALA HA 1 64 THR MG 0.000 . 6.800 5.504 5.484 5.527 . 0 0 "[ . 1 . 2 ]" 1
905 1 63 ALA HA 1 66 MET H 0.000 . 4.000 3.787 3.469 3.907 . 0 0 "[ . 1 . 2 ]" 1
906 1 63 ALA HA 1 66 MET HB2 0.000 . 5.000 3.119 2.788 3.291 . 0 0 "[ . 1 . 2 ]" 1
907 1 63 ALA HA 1 66 MET ME 0.000 . 6.500 5.407 5.334 5.496 . 0 0 "[ . 1 . 2 ]" 1
908 1 63 ALA HA 1 66 MET QG 0.000 . 5.500 4.390 3.751 4.633 . 0 0 "[ . 1 . 2 ]" 1
909 1 63 ALA MB 1 64 THR H 0.000 . 4.000 2.217 2.190 2.340 . 0 0 "[ . 1 . 2 ]" 1
910 1 63 ALA MB 1 64 THR HA 0.000 . 5.800 3.719 3.694 3.756 . 0 0 "[ . 1 . 2 ]" 1
911 1 63 ALA MB 1 64 THR HB 0.000 . 6.500 5.179 5.164 5.250 . 0 0 "[ . 1 . 2 ]" 1
912 1 63 ALA MB 1 64 THR MG 0.000 . 6.800 3.514 3.465 3.583 . 0 0 "[ . 1 . 2 ]" 1
913 1 63 ALA MB 1 66 MET HB2 0.000 . 5.800 4.648 4.318 4.801 . 0 0 "[ . 1 . 2 ]" 1
914 1 63 ALA MB 1 66 MET ME 5.000 5.000 9.000 6.217 6.171 6.243 . 0 0 "[ . 1 . 2 ]" 1
915 1 63 ALA MB 1 67 GLY H 0.000 . 5.800 4.743 4.558 4.807 . 0 0 "[ . 1 . 2 ]" 1
916 1 63 ALA MB 1 68 VAL H 5.000 5.000 8.200 6.623 6.290 6.717 . 0 0 "[ . 1 . 2 ]" 1
917 1 64 THR H 1 64 THR HB 0.000 . 3.500 3.552 3.539 3.558 0.058 8 0 "[ . 1 . 2 ]" 1
918 1 64 THR H 1 65 LEU H 0.000 . 3.200 2.875 2.843 2.910 . 0 0 "[ . 1 . 2 ]" 1
919 1 64 THR H 1 65 LEU HB2 0.000 . 5.000 4.887 4.839 4.960 . 0 0 "[ . 1 . 2 ]" 1
920 1 64 THR H 1 65 LEU HG 5.000 5.000 6.000 4.889 4.870 4.923 0.130 19 0 "[ . 1 . 2 ]" 1
921 1 64 THR HA 1 65 LEU H 0.000 . 4.000 3.535 3.524 3.548 . 0 0 "[ . 1 . 2 ]" 1
922 1 64 THR HA 1 65 LEU HB2 0.000 . 6.000 5.730 5.697 5.768 . 0 0 "[ . 1 . 2 ]" 1
923 1 64 THR HA 1 68 VAL QG 4.000 4.000 8.000 6.052 5.666 6.126 . 0 0 "[ . 1 . 2 ]" 1
924 1 64 THR HB 1 65 LEU H 0.000 . 3.200 3.069 3.013 3.131 . 0 0 "[ . 1 . 2 ]" 1
925 1 64 THR HB 1 65 LEU HB2 0.000 . 5.500 5.319 5.272 5.439 . 0 0 "[ . 1 . 2 ]" 1
926 1 64 THR HB 1 65 LEU HG 0.000 . 5.000 3.754 3.650 3.964 . 0 0 "[ . 1 . 2 ]" 1
927 1 64 THR MG 1 65 LEU H 0.000 . 4.800 4.027 4.013 4.042 . 0 0 "[ . 1 . 2 ]" 1
928 1 64 THR MG 1 67 GLY H 0.000 . 6.500 5.275 5.117 5.411 . 0 0 "[ . 1 . 2 ]" 1
929 1 64 THR MG 1 69 ASP H 0.000 . 6.000 4.585 4.372 5.048 . 0 0 "[ . 1 . 2 ]" 1
930 1 65 LEU H 1 65 LEU HB2 0.000 . 3.200 2.416 2.391 2.449 . 0 0 "[ . 1 . 2 ]" 1
931 1 65 LEU H 1 65 LEU HB3 0.000 . 4.000 3.589 3.582 3.605 . 0 0 "[ . 1 . 2 ]" 1
932 1 65 LEU H 1 66 MET H 0.000 . 3.200 2.876 2.819 2.894 . 0 0 "[ . 1 . 2 ]" 1
933 1 65 LEU H 1 66 MET HG3 0.000 . 6.000 6.027 5.968 6.055 0.055 20 0 "[ . 1 . 2 ]" 1
934 1 65 LEU H 1 67 GLY H 0.000 . 5.000 4.008 3.884 4.134 . 0 0 "[ . 1 . 2 ]" 1
935 1 65 LEU H 1 69 ASP QB 5.000 5.000 8.200 6.086 4.822 7.689 0.178 4 0 "[ . 1 . 2 ]" 1
936 1 65 LEU HA 1 66 MET H 0.000 . 4.000 3.555 3.529 3.563 . 0 0 "[ . 1 . 2 ]" 1
937 1 65 LEU HB2 1 66 MET H 0.000 . 3.200 2.353 2.305 2.397 . 0 0 "[ . 1 . 2 ]" 1
938 1 65 LEU HB2 1 66 MET HG3 0.000 . 5.000 4.526 4.430 4.622 . 0 0 "[ . 1 . 2 ]" 1
939 1 65 LEU HB3 1 66 MET HG3 0.000 . 6.000 5.220 5.157 5.413 . 0 0 "[ . 1 . 2 ]" 1
940 1 65 LEU MD1 1 66 MET H 0.000 . 5.800 4.054 3.962 4.129 . 0 0 "[ . 1 . 2 ]" 1
941 1 65 LEU MD2 1 66 MET H 0.000 . 5.800 4.633 4.601 4.657 . 0 0 "[ . 1 . 2 ]" 1
942 1 66 MET H 1 66 MET HB2 0.000 . 3.200 2.292 2.236 2.445 . 0 0 "[ . 1 . 2 ]" 1
943 1 66 MET H 1 66 MET HB3 0.000 . 3.500 3.539 3.520 3.568 0.068 18 0 "[ . 1 . 2 ]" 1
944 1 66 MET H 1 67 GLY H 0.000 . 3.200 2.614 2.570 2.634 . 0 0 "[ . 1 . 2 ]" 1
945 1 66 MET H 1 67 GLY QA 0.000 . 5.700 4.378 4.349 4.436 . 0 0 "[ . 1 . 2 ]" 1
946 1 66 MET H 1 69 ASP QB 5.000 5.000 8.200 6.900 5.945 7.731 . 0 0 "[ . 1 . 2 ]" 1
947 1 66 MET HA 1 67 GLY H 0.000 . 4.000 3.453 3.423 3.519 . 0 0 "[ . 1 . 2 ]" 1
948 1 66 MET HB2 1 67 GLY H 0.000 . 3.200 3.240 3.131 3.270 0.070 8 0 "[ . 1 . 2 ]" 1
949 1 66 MET HB2 1 67 GLY QA 0.000 . 5.700 3.991 3.848 4.159 . 0 0 "[ . 1 . 2 ]" 1
950 1 66 MET HB3 1 67 GLY H 0.000 . 4.000 3.946 3.749 4.064 0.064 18 0 "[ . 1 . 2 ]" 1
951 1 66 MET HB3 1 67 GLY QA 0.000 . 5.700 3.988 3.659 4.200 . 0 0 "[ . 1 . 2 ]" 1
952 1 66 MET HB3 1 68 VAL H 0.000 . 5.000 5.100 5.066 5.180 0.180 20 0 "[ . 1 . 2 ]" 1
953 1 66 MET HB3 1 68 VAL QG 0.000 . 6.500 5.315 5.254 5.367 . 0 0 "[ . 1 . 2 ]" 1
954 1 66 MET HG2 1 67 GLY H 0.000 . 5.000 4.668 4.469 4.771 . 0 0 "[ . 1 . 2 ]" 1
955 1 66 MET HG3 1 67 GLY H 0.000 . 5.500 5.357 5.289 5.389 . 0 0 "[ . 1 . 2 ]" 1
956 1 66 MET HG3 1 67 GLY QA 0.000 . 6.800 5.968 5.782 6.093 . 0 0 "[ . 1 . 2 ]" 1
957 1 67 GLY H 1 68 VAL H 0.000 . 2.700 2.390 2.166 2.459 . 0 0 "[ . 1 . 2 ]" 1
958 1 67 GLY H 1 68 VAL QG 0.000 . 5.500 4.171 4.007 4.203 . 0 0 "[ . 1 . 2 ]" 1
959 1 67 GLY QA 1 68 VAL H 0.000 . 3.900 2.949 2.911 2.957 . 0 0 "[ . 1 . 2 ]" 1
960 1 67 GLY QA 1 68 VAL QG 0.000 . 5.500 3.287 3.010 3.567 . 0 0 "[ . 1 . 2 ]" 1
961 1 68 VAL H 1 68 VAL HB 0.000 . 4.000 3.708 3.629 3.774 . 0 0 "[ . 1 . 2 ]" 1
962 1 68 VAL H 1 69 ASP H 0.000 . 4.000 2.755 2.596 2.915 . 0 0 "[ . 1 . 2 ]" 1
963 1 68 VAL HA 1 69 ASP H 0.000 . 3.200 3.177 3.098 3.255 0.055 20 0 "[ . 1 . 2 ]" 1
964 1 68 VAL HA 1 69 ASP QB 0.000 . 5.500 4.440 3.776 5.272 . 0 0 "[ . 1 . 2 ]" 1
965 1 68 VAL HB 1 69 ASP H 0.000 . 4.000 3.815 3.698 3.917 . 0 0 "[ . 1 . 2 ]" 1
966 1 68 VAL QG 1 69 ASP H 0.000 . 5.000 3.710 3.664 3.730 . 0 0 "[ . 1 . 2 ]" 1
967 1 68 VAL QG 1 69 ASP HA 0.000 . 6.500 4.614 3.971 5.012 . 0 0 "[ . 1 . 2 ]" 1
968 1 68 VAL QG 1 69 ASP QB 5.000 5.000 7.700 4.333 3.858 5.046 1.142 19 13 "[** *-* ** *.***+2*]" 1
969 1 69 ASP H 1 69 ASP QB 0.000 . 3.200 2.846 2.342 3.211 0.011 1 0 "[ . 1 . 2 ]" 1
970 1 69 ASP H 1 70 LEU H 0.000 . 4.000 2.834 2.579 4.096 0.096 20 0 "[ . 1 . 2 ]" 1
971 1 69 ASP H 1 70 LEU HA 0.000 . 5.500 5.226 4.472 5.578 0.078 19 0 "[ . 1 . 2 ]" 1
972 1 69 ASP H 1 70 LEU HB3 5.000 5.000 7.000 6.303 6.135 7.138 0.138 20 0 "[ . 1 . 2 ]" 1
973 1 69 ASP HA 1 70 LEU H 0.000 . 3.200 3.038 2.222 3.532 0.332 6 0 "[ . 1 . 2 ]" 1
974 1 69 ASP HA 1 70 LEU HB3 5.000 5.000 7.700 6.147 5.354 6.560 . 0 0 "[ . 1 . 2 ]" 1
975 1 69 ASP HA 1 70 LEU HG 0.000 . 6.500 4.620 3.279 5.365 . 0 0 "[ . 1 . 2 ]" 1
976 1 69 ASP QB 1 70 LEU HG 0.000 . 5.800 3.942 2.745 4.729 . 0 0 "[ . 1 . 2 ]" 1
977 1 70 LEU H 1 70 LEU HB3 0.000 . 4.000 3.722 3.510 4.077 0.077 10 0 "[ . 1 . 2 ]" 1
978 1 70 LEU H 1 71 ASN H 0.000 . 4.000 3.457 2.368 4.358 0.358 19 0 "[ . 1 . 2 ]" 1
979 1 70 LEU HA 1 71 ASN H 0.000 . 3.500 3.138 2.043 3.572 0.072 4 0 "[ . 1 . 2 ]" 1
980 1 70 LEU HB3 1 71 ASN H 0.000 . 3.200 2.713 1.965 3.343 0.143 20 0 "[ . 1 . 2 ]" 1
981 1 70 LEU QD 1 71 ASN H 0.000 . 6.500 3.529 2.621 4.051 . 0 0 "[ . 1 . 2 ]" 1
982 1 71 ASN H 1 71 ASN QB 0.000 . 3.400 2.599 2.381 3.116 . 0 0 "[ . 1 . 2 ]" 1
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