NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | cing | stage | program | type | subtype | subsubtype |
|
|
398527 |
1tl5   |
cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1tl5
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 1148
_Distance_constraint_stats_list.Viol_count 1600
_Distance_constraint_stats_list.Viol_total 2197.582
_Distance_constraint_stats_list.Viol_max 0.219
_Distance_constraint_stats_list.Viol_rms 0.0122
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0021
_Distance_constraint_stats_list.Viol_average_violations_only 0.0458
_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 2 PRO 0.141 0.058 16 0 "[ . 1 . 2 . 3]"
1 3 LYS 0.264 0.069 27 0 "[ . 1 . 2 . 3]"
1 4 HIS 0.736 0.076 24 0 "[ . 1 . 2 . 3]"
1 5 GLU 3.738 0.104 29 0 "[ . 1 . 2 . 3]"
1 6 PHE 2.476 0.160 24 0 "[ . 1 . 2 . 3]"
1 7 SER 2.675 0.160 24 0 "[ . 1 . 2 . 3]"
1 8 VAL 2.601 0.149 28 0 "[ . 1 . 2 . 3]"
1 9 ASP 1.026 0.161 7 0 "[ . 1 . 2 . 3]"
1 10 MET 0.795 0.108 15 0 "[ . 1 . 2 . 3]"
1 11 THR 0.321 0.047 6 0 "[ . 1 . 2 . 3]"
1 12 CYS 2.483 0.132 23 0 "[ . 1 . 2 . 3]"
1 14 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 15 CYS 2.553 0.132 23 0 "[ . 1 . 2 . 3]"
1 16 ALA 1.369 0.075 25 0 "[ . 1 . 2 . 3]"
1 17 GLU 1.530 0.115 17 0 "[ . 1 . 2 . 3]"
1 18 ALA 1.294 0.075 25 0 "[ . 1 . 2 . 3]"
1 19 VAL 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 20 SER 1.824 0.125 14 0 "[ . 1 . 2 . 3]"
1 21 ARG 1.672 0.099 11 0 "[ . 1 . 2 . 3]"
1 22 VAL 0.132 0.031 10 0 "[ . 1 . 2 . 3]"
1 23 LEU 3.074 0.125 14 0 "[ . 1 . 2 . 3]"
1 24 ASN 2.907 0.130 12 0 "[ . 1 . 2 . 3]"
1 25 LYS 2.498 0.072 24 0 "[ . 1 . 2 . 3]"
1 26 LEU 6.752 0.210 18 0 "[ . 1 . 2 . 3]"
1 27 GLY 5.955 0.210 18 0 "[ . 1 . 2 . 3]"
1 28 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 29 VAL 0.130 0.047 2 0 "[ . 1 . 2 . 3]"
1 30 LYS 0.137 0.024 8 0 "[ . 1 . 2 . 3]"
1 31 TYR 0.087 0.015 3 0 "[ . 1 . 2 . 3]"
1 32 ASP 1.785 0.082 2 0 "[ . 1 . 2 . 3]"
1 33 ILE 0.801 0.077 15 0 "[ . 1 . 2 . 3]"
1 34 ASP 0.423 0.077 15 0 "[ . 1 . 2 . 3]"
1 35 LEU 0.013 0.012 2 0 "[ . 1 . 2 . 3]"
1 36 PRO 0.029 0.029 6 0 "[ . 1 . 2 . 3]"
1 37 ASN 0.520 0.102 15 0 "[ . 1 . 2 . 3]"
1 38 LYS 3.154 0.149 28 0 "[ . 1 . 2 . 3]"
1 39 LYS 1.194 0.117 7 0 "[ . 1 . 2 . 3]"
1 40 VAL 1.467 0.097 17 0 "[ . 1 . 2 . 3]"
1 41 CYS 2.958 0.097 17 0 "[ . 1 . 2 . 3]"
1 42 ILE 1.073 0.182 2 0 "[ . 1 . 2 . 3]"
1 43 GLU 1.546 0.197 17 0 "[ . 1 . 2 . 3]"
1 44 SER 0.715 0.091 18 0 "[ . 1 . 2 . 3]"
1 45 GLU 0.221 0.058 16 0 "[ . 1 . 2 . 3]"
1 46 HIS 1.112 0.091 18 0 "[ . 1 . 2 . 3]"
1 47 SER 0.943 0.201 26 0 "[ . 1 . 2 . 3]"
1 48 MET 0.039 0.039 28 0 "[ . 1 . 2 . 3]"
1 49 ASP 3.267 0.112 13 0 "[ . 1 . 2 . 3]"
1 50 THR 2.343 0.112 13 0 "[ . 1 . 2 . 3]"
1 51 LEU 3.154 0.124 8 0 "[ . 1 . 2 . 3]"
1 52 LEU 1.873 0.147 22 0 "[ . 1 . 2 . 3]"
1 53 ALA 3.539 0.101 17 0 "[ . 1 . 2 . 3]"
1 54 THR 2.376 0.092 20 0 "[ . 1 . 2 . 3]"
1 55 LEU 7.507 0.134 26 0 "[ . 1 . 2 . 3]"
1 56 LYS 6.318 0.134 26 0 "[ . 1 . 2 . 3]"
1 57 LYS 2.126 0.089 18 0 "[ . 1 . 2 . 3]"
1 58 THR 0.356 0.074 2 0 "[ . 1 . 2 . 3]"
1 59 GLY 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 60 LYS 3.145 0.111 20 0 "[ . 1 . 2 . 3]"
1 61 THR 2.151 0.113 25 0 "[ . 1 . 2 . 3]"
1 62 VAL 2.553 0.113 25 0 "[ . 1 . 2 . 3]"
1 63 SER 0.154 0.110 29 0 "[ . 1 . 2 . 3]"
1 64 TYR 0.000 0.000 . 0 "[ . 1 . 2 . 3]"
1 65 LEU 7.633 0.096 16 0 "[ . 1 . 2 . 3]"
1 66 GLY 2.403 0.098 3 0 "[ . 1 . 2 . 3]"
1 67 LEU 1.766 0.150 14 0 "[ . 1 . 2 . 3]"
1 68 GLU 2.334 0.219 19 0 "[ . 1 . 2 . 3]"
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 2 PRO HB2 1 43 GLU QG . . 5.900 4.909 2.355 5.334 . 0 0 "[ . 1 . 2 . 3]" 1
2 1 2 PRO HB2 1 67 LEU QD . . 9.170 4.663 2.186 6.495 . 0 0 "[ . 1 . 2 . 3]" 1
3 1 2 PRO HB3 1 67 LEU QD . . 9.170 5.072 2.631 6.871 . 0 0 "[ . 1 . 2 . 3]" 1
4 1 2 PRO HD2 1 45 GLU HA . . 6.600 5.557 2.393 6.658 0.058 16 0 "[ . 1 . 2 . 3]" 1
5 1 2 PRO QG 1 67 LEU QD . . 10.170 4.048 2.079 6.720 . 0 0 "[ . 1 . 2 . 3]" 1
6 1 3 LYS H 1 3 LYS HG2 . . 5.500 3.971 2.096 4.617 . 0 0 "[ . 1 . 2 . 3]" 1
7 1 3 LYS H 1 3 LYS QG . . 4.650 3.623 1.952 4.175 . 0 0 "[ . 1 . 2 . 3]" 1
8 1 3 LYS H 1 3 LYS HG3 . . 5.500 4.286 2.139 4.939 . 0 0 "[ . 1 . 2 . 3]" 1
9 1 3 LYS H 1 4 HIS H . . 6.200 4.485 4.245 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
10 1 3 LYS H 1 43 GLU QG . . 7.300 4.030 3.111 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
11 1 3 LYS HA 1 3 LYS HG2 . . 3.700 3.098 2.313 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
12 1 3 LYS HA 1 3 LYS QG . . 3.490 2.635 2.194 3.251 . 0 0 "[ . 1 . 2 . 3]" 1
13 1 3 LYS HA 1 3 LYS HG3 . . 3.700 3.014 2.227 3.769 0.069 27 0 "[ . 1 . 2 . 3]" 1
14 1 3 LYS HA 1 4 HIS H . . 3.200 2.242 2.130 2.365 . 0 0 "[ . 1 . 2 . 3]" 1
15 1 3 LYS HA 1 43 GLU HA . . 2.900 2.309 2.025 2.922 0.022 7 0 "[ . 1 . 2 . 3]" 1
16 1 3 LYS HA 1 43 GLU QB . . 7.480 3.334 2.483 4.070 . 0 0 "[ . 1 . 2 . 3]" 1
17 1 3 LYS HA 1 43 GLU QG . . 6.900 2.986 2.226 3.754 . 0 0 "[ . 1 . 2 . 3]" 1
18 1 3 LYS QB 1 4 HIS H . . 6.180 3.376 2.302 3.972 . 0 0 "[ . 1 . 2 . 3]" 1
19 1 3 LYS QE 1 41 CYS HB3 . . 5.100 3.889 2.430 4.593 . 0 0 "[ . 1 . 2 . 3]" 1
20 1 3 LYS QE 1 43 GLU QG . . 8.600 4.857 3.357 6.414 . 0 0 "[ . 1 . 2 . 3]" 1
21 1 3 LYS QG 1 43 GLU HA . . 5.130 3.821 2.591 4.662 . 0 0 "[ . 1 . 2 . 3]" 1
22 1 3 LYS QG 1 43 GLU QB . . 5.910 3.082 2.207 4.331 . 0 0 "[ . 1 . 2 . 3]" 1
23 1 3 LYS QG 1 43 GLU QG . . 6.040 3.533 2.118 4.563 . 0 0 "[ . 1 . 2 . 3]" 1
24 1 3 LYS HG2 1 4 HIS H . . 6.600 3.128 2.274 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
25 1 3 LYS HG2 1 43 GLU HA . . 5.400 4.703 3.237 5.427 0.027 25 0 "[ . 1 . 2 . 3]" 1
26 1 3 LYS HG2 1 43 GLU HB2 . . 7.550 4.244 2.859 6.522 . 0 0 "[ . 1 . 2 . 3]" 1
27 1 3 LYS HG2 1 43 GLU HB3 . . 7.550 5.866 4.613 6.783 . 0 0 "[ . 1 . 2 . 3]" 1
28 1 3 LYS HG2 1 43 GLU QG . . 6.200 4.431 3.029 5.320 . 0 0 "[ . 1 . 2 . 3]" 1
29 1 3 LYS HG3 1 4 HIS H . . 6.600 3.394 2.286 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
30 1 3 LYS HG3 1 43 GLU HA . . 5.400 4.237 2.639 5.443 0.043 18 0 "[ . 1 . 2 . 3]" 1
31 1 3 LYS HG3 1 43 GLU HB2 . . 7.550 3.417 2.231 5.298 . 0 0 "[ . 1 . 2 . 3]" 1
32 1 3 LYS HG3 1 43 GLU HB3 . . 7.550 5.029 3.965 6.858 . 0 0 "[ . 1 . 2 . 3]" 1
33 1 3 LYS HG3 1 43 GLU QG . . 6.200 3.907 2.133 5.423 . 0 0 "[ . 1 . 2 . 3]" 1
34 1 4 HIS H 1 4 HIS HB2 . . 3.600 2.939 2.475 3.676 0.076 24 0 "[ . 1 . 2 . 3]" 1
35 1 4 HIS H 1 4 HIS HB3 . . 4.100 3.734 3.169 3.915 . 0 0 "[ . 1 . 2 . 3]" 1
36 1 4 HIS H 1 4 HIS HD2 . . 4.700 4.426 3.398 4.768 0.068 14 0 "[ . 1 . 2 . 3]" 1
37 1 4 HIS H 1 6 PHE QD . . 8.600 5.449 5.098 6.303 . 0 0 "[ . 1 . 2 . 3]" 1
38 1 4 HIS H 1 6 PHE QE . . 8.600 4.239 3.831 5.451 . 0 0 "[ . 1 . 2 . 3]" 1
39 1 4 HIS H 1 40 VAL MG1 . . 7.600 6.193 5.624 6.383 . 0 0 "[ . 1 . 2 . 3]" 1
40 1 4 HIS H 1 42 ILE H . . 5.200 2.821 2.541 3.369 . 0 0 "[ . 1 . 2 . 3]" 1
41 1 4 HIS H 1 42 ILE HB . . 6.600 3.610 3.098 4.057 . 0 0 "[ . 1 . 2 . 3]" 1
42 1 4 HIS H 1 43 GLU HA . . 5.700 3.640 3.409 3.789 . 0 0 "[ . 1 . 2 . 3]" 1
43 1 4 HIS HA 1 5 GLU H . . 2.900 2.247 2.128 2.378 . 0 0 "[ . 1 . 2 . 3]" 1
44 1 4 HIS HA 1 64 TYR QE . . 7.900 3.190 2.454 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
45 1 4 HIS HA 1 67 LEU QD . . 7.670 4.247 3.849 5.047 . 0 0 "[ . 1 . 2 . 3]" 1
46 1 4 HIS HB2 1 5 GLU H . . 6.600 3.871 2.447 4.417 . 0 0 "[ . 1 . 2 . 3]" 1
47 1 4 HIS HB2 1 6 PHE QD . . 6.800 4.297 3.722 4.745 . 0 0 "[ . 1 . 2 . 3]" 1
48 1 4 HIS HB2 1 51 LEU MD1 . . 7.600 3.691 2.703 5.905 . 0 0 "[ . 1 . 2 . 3]" 1
49 1 4 HIS HB2 1 52 LEU QD . . 8.070 5.816 4.854 6.023 . 0 0 "[ . 1 . 2 . 3]" 1
50 1 4 HIS HB2 1 64 TYR QE . . 7.300 3.693 2.253 5.298 . 0 0 "[ . 1 . 2 . 3]" 1
51 1 4 HIS HB3 1 5 GLU H . . 3.800 3.424 2.697 3.839 0.039 24 0 "[ . 1 . 2 . 3]" 1
52 1 4 HIS HB3 1 6 PHE QD . . 6.800 4.875 4.004 6.067 . 0 0 "[ . 1 . 2 . 3]" 1
53 1 4 HIS HB3 1 6 PHE QE . . 8.600 3.401 2.500 4.707 . 0 0 "[ . 1 . 2 . 3]" 1
54 1 4 HIS HB3 1 51 LEU MD1 . . 7.600 4.476 3.462 5.970 . 0 0 "[ . 1 . 2 . 3]" 1
55 1 4 HIS HB3 1 64 TYR QE . . 7.000 2.578 2.135 3.663 . 0 0 "[ . 1 . 2 . 3]" 1
56 1 5 GLU H 1 5 GLU HB2 . . 4.100 2.330 2.005 2.601 . 0 0 "[ . 1 . 2 . 3]" 1
57 1 5 GLU H 1 5 GLU HG2 . . 3.700 3.339 2.526 3.762 0.062 24 0 "[ . 1 . 2 . 3]" 1
58 1 5 GLU H 1 5 GLU QG . . 3.350 2.857 2.489 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
59 1 5 GLU H 1 5 GLU HG3 . . 3.700 3.371 2.581 3.804 0.104 29 0 "[ . 1 . 2 . 3]" 1
60 1 5 GLU H 1 6 PHE H . . 5.300 4.543 4.451 4.604 . 0 0 "[ . 1 . 2 . 3]" 1
61 1 5 GLU H 1 6 PHE QD . . 8.600 4.513 4.010 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
62 1 5 GLU H 1 64 TYR QE . . 7.500 3.053 2.454 4.351 . 0 0 "[ . 1 . 2 . 3]" 1
63 1 5 GLU H 1 65 LEU H . . 4.900 4.117 3.947 4.333 . 0 0 "[ . 1 . 2 . 3]" 1
64 1 5 GLU H 1 65 LEU MD2 . . 7.600 4.608 4.091 5.474 . 0 0 "[ . 1 . 2 . 3]" 1
65 1 5 GLU H 1 66 GLY H . . 3.700 3.763 3.709 3.798 0.098 3 0 "[ . 1 . 2 . 3]" 1
66 1 5 GLU H 1 67 LEU QD . . 9.170 5.124 4.575 5.788 . 0 0 "[ . 1 . 2 . 3]" 1
67 1 5 GLU HA 1 5 GLU HG2 . . 4.200 2.479 2.215 3.086 . 0 0 "[ . 1 . 2 . 3]" 1
68 1 5 GLU HA 1 5 GLU HG3 . . 4.200 3.458 3.065 3.770 . 0 0 "[ . 1 . 2 . 3]" 1
69 1 5 GLU HA 1 6 PHE H . . 2.800 2.224 2.123 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
70 1 5 GLU HA 1 6 PHE QD . . 7.800 3.081 2.482 4.308 . 0 0 "[ . 1 . 2 . 3]" 1
71 1 5 GLU HA 1 41 CYS HA . . 3.200 2.382 2.212 2.648 . 0 0 "[ . 1 . 2 . 3]" 1
72 1 5 GLU HA 1 42 ILE H . . 5.200 3.620 3.053 3.933 . 0 0 "[ . 1 . 2 . 3]" 1
73 1 5 GLU HA 1 65 LEU MD2 . . 7.600 4.281 4.046 5.154 . 0 0 "[ . 1 . 2 . 3]" 1
74 1 5 GLU HB2 1 6 PHE H . . 5.000 4.142 3.946 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
75 1 5 GLU HB2 1 65 LEU MD1 . . 6.800 5.044 2.825 5.492 . 0 0 "[ . 1 . 2 . 3]" 1
76 1 5 GLU HB3 1 5 GLU QG . . 2.750 2.466 2.374 2.519 . 0 0 "[ . 1 . 2 . 3]" 1
77 1 5 GLU HB3 1 6 PHE H . . 3.500 3.028 2.700 3.341 . 0 0 "[ . 1 . 2 . 3]" 1
78 1 5 GLU HB3 1 6 PHE HA . . 6.200 4.360 4.071 4.630 . 0 0 "[ . 1 . 2 . 3]" 1
79 1 5 GLU HB3 1 6 PHE QD . . 8.600 4.985 4.615 5.351 . 0 0 "[ . 1 . 2 . 3]" 1
80 1 5 GLU HB3 1 41 CYS HA . . 5.100 4.637 3.976 5.113 0.013 16 0 "[ . 1 . 2 . 3]" 1
81 1 5 GLU HB3 1 41 CYS HB3 . . 5.300 5.002 3.813 5.367 0.067 10 0 "[ . 1 . 2 . 3]" 1
82 1 5 GLU HB3 1 42 ILE H . . 6.400 6.094 5.374 6.461 0.061 26 0 "[ . 1 . 2 . 3]" 1
83 1 5 GLU HB3 1 65 LEU HA . . 6.600 5.877 5.149 6.247 . 0 0 "[ . 1 . 2 . 3]" 1
84 1 5 GLU HB3 1 65 LEU QB . . 5.600 4.989 4.456 5.073 . 0 0 "[ . 1 . 2 . 3]" 1
85 1 5 GLU HB3 1 65 LEU MD1 . . 6.200 4.691 2.530 5.194 . 0 0 "[ . 1 . 2 . 3]" 1
86 1 5 GLU HB3 1 65 LEU MD2 . . 5.800 2.727 2.268 2.988 . 0 0 "[ . 1 . 2 . 3]" 1
87 1 5 GLU HB3 1 66 GLY H . . 6.300 5.278 4.543 5.922 . 0 0 "[ . 1 . 2 . 3]" 1
88 1 5 GLU QG 1 41 CYS HA . . 6.180 3.588 2.406 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
89 1 5 GLU QG 1 41 CYS HB3 . . 6.180 3.429 2.382 4.682 . 0 0 "[ . 1 . 2 . 3]" 1
90 1 5 GLU QG 1 65 LEU MD2 . . 7.480 4.320 3.938 4.654 . 0 0 "[ . 1 . 2 . 3]" 1
91 1 6 PHE H 1 6 PHE HB2 . . 3.500 2.753 2.627 2.890 . 0 0 "[ . 1 . 2 . 3]" 1
92 1 6 PHE H 1 39 LYS HA . . 5.500 4.685 4.332 4.984 . 0 0 "[ . 1 . 2 . 3]" 1
93 1 6 PHE H 1 40 VAL MG1 . . 5.400 3.808 3.419 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
94 1 6 PHE H 1 41 CYS HA . . 4.300 3.314 3.035 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
95 1 6 PHE H 1 65 LEU MD2 . . 7.600 3.510 3.128 4.953 . 0 0 "[ . 1 . 2 . 3]" 1
96 1 6 PHE HA 1 7 SER H . . 2.800 2.211 2.098 2.274 . 0 0 "[ . 1 . 2 . 3]" 1
97 1 6 PHE HA 1 7 SER HB3 . . 5.400 4.980 4.712 5.560 0.160 24 0 "[ . 1 . 2 . 3]" 1
98 1 6 PHE HA 1 64 TYR H . . 5.600 4.670 4.521 4.827 . 0 0 "[ . 1 . 2 . 3]" 1
99 1 6 PHE HA 1 64 TYR HA . . 3.600 2.339 2.185 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
100 1 6 PHE HA 1 65 LEU H . . 3.500 2.494 2.307 2.724 . 0 0 "[ . 1 . 2 . 3]" 1
101 1 6 PHE HA 1 65 LEU QB . . 7.100 4.711 4.621 4.809 . 0 0 "[ . 1 . 2 . 3]" 1
102 1 6 PHE HA 1 65 LEU MD2 . . 7.600 2.665 2.107 4.559 . 0 0 "[ . 1 . 2 . 3]" 1
103 1 6 PHE HA 1 65 LEU HG . . 4.600 4.664 4.630 4.696 0.096 16 0 "[ . 1 . 2 . 3]" 1
104 1 6 PHE HB2 1 7 SER H . . 5.100 4.019 3.887 4.146 . 0 0 "[ . 1 . 2 . 3]" 1
105 1 6 PHE HB2 1 8 VAL MG2 . . 5.100 3.023 2.558 3.686 . 0 0 "[ . 1 . 2 . 3]" 1
106 1 6 PHE HB2 1 40 VAL HB . . 5.800 2.379 2.198 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
107 1 6 PHE HB2 1 55 LEU QD . . 7.970 4.195 3.686 4.605 . 0 0 "[ . 1 . 2 . 3]" 1
108 1 6 PHE HB2 1 62 VAL MG1 . . 7.600 5.970 4.407 6.348 . 0 0 "[ . 1 . 2 . 3]" 1
109 1 6 PHE HB2 1 62 VAL MG2 . . 7.600 3.512 2.872 6.333 . 0 0 "[ . 1 . 2 . 3]" 1
110 1 6 PHE HB3 1 7 SER H . . 4.500 3.140 2.975 3.329 . 0 0 "[ . 1 . 2 . 3]" 1
111 1 6 PHE HB3 1 8 VAL MG2 . . 7.100 3.171 2.568 3.917 . 0 0 "[ . 1 . 2 . 3]" 1
112 1 6 PHE HB3 1 40 VAL HB . . 4.700 3.733 3.332 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
113 1 6 PHE HB3 1 42 ILE MD . . 7.600 5.269 4.684 5.830 . 0 0 "[ . 1 . 2 . 3]" 1
114 1 6 PHE HB3 1 55 LEU QD . . 8.070 3.885 3.175 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
115 1 6 PHE HB3 1 62 VAL MG1 . . 7.600 5.100 3.801 5.500 . 0 0 "[ . 1 . 2 . 3]" 1
116 1 6 PHE HB3 1 62 VAL QG . . 6.850 2.636 2.236 3.725 . 0 0 "[ . 1 . 2 . 3]" 1
117 1 6 PHE HB3 1 62 VAL MG2 . . 7.600 2.699 2.240 5.355 . 0 0 "[ . 1 . 2 . 3]" 1
118 1 6 PHE HB3 1 63 SER H . . 6.600 3.691 3.190 4.276 . 0 0 "[ . 1 . 2 . 3]" 1
119 1 6 PHE QD 1 7 SER H . . 8.600 4.556 4.241 4.795 . 0 0 "[ . 1 . 2 . 3]" 1
120 1 6 PHE QD 1 41 CYS HA . . 8.600 3.153 2.472 4.938 . 0 0 "[ . 1 . 2 . 3]" 1
121 1 6 PHE QD 1 42 ILE H . . 8.600 3.703 3.058 5.207 . 0 0 "[ . 1 . 2 . 3]" 1
122 1 6 PHE QD 1 42 ILE HB . . 7.200 4.313 3.939 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
123 1 6 PHE QD 1 42 ILE MD . . 7.700 3.433 2.938 3.738 . 0 0 "[ . 1 . 2 . 3]" 1
124 1 6 PHE QD 1 42 ILE MG . . 9.600 5.222 4.917 5.628 . 0 0 "[ . 1 . 2 . 3]" 1
125 1 6 PHE QD 1 51 LEU HB3 . . 7.100 5.740 4.943 6.334 . 0 0 "[ . 1 . 2 . 3]" 1
126 1 6 PHE QD 1 51 LEU MD1 . . 8.800 5.164 4.320 5.848 . 0 0 "[ . 1 . 2 . 3]" 1
127 1 6 PHE QD 1 51 LEU MD2 . . 9.600 6.464 5.805 7.137 . 0 0 "[ . 1 . 2 . 3]" 1
128 1 6 PHE QD 1 52 LEU HA . . 8.100 4.731 4.103 5.478 . 0 0 "[ . 1 . 2 . 3]" 1
129 1 6 PHE QD 1 52 LEU HB2 . . 6.900 5.997 4.881 6.226 . 0 0 "[ . 1 . 2 . 3]" 1
130 1 6 PHE QD 1 52 LEU HB3 . . 8.500 6.345 5.728 7.231 . 0 0 "[ . 1 . 2 . 3]" 1
131 1 6 PHE QD 1 52 LEU MD1 . . 8.000 4.480 3.875 5.299 . 0 0 "[ . 1 . 2 . 3]" 1
132 1 6 PHE QD 1 52 LEU QD . . 7.450 3.225 2.236 4.318 . 0 0 "[ . 1 . 2 . 3]" 1
133 1 6 PHE QD 1 52 LEU MD2 . . 8.000 3.517 2.251 5.504 . 0 0 "[ . 1 . 2 . 3]" 1
134 1 6 PHE QD 1 55 LEU MD1 . . 9.600 3.435 2.380 4.113 . 0 0 "[ . 1 . 2 . 3]" 1
135 1 6 PHE QD 1 55 LEU QD . . 8.880 2.954 2.339 3.439 . 0 0 "[ . 1 . 2 . 3]" 1
136 1 6 PHE QD 1 55 LEU MD2 . . 9.600 3.336 2.743 3.844 . 0 0 "[ . 1 . 2 . 3]" 1
137 1 6 PHE QD 1 62 VAL QG . . 10.760 3.092 2.360 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
138 1 6 PHE QD 1 64 TYR HA . . 6.800 2.638 2.089 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
139 1 6 PHE QD 1 64 TYR QB . . 8.900 2.710 2.434 3.397 . 0 0 "[ . 1 . 2 . 3]" 1
140 1 6 PHE QD 1 64 TYR QD . . 10.600 3.389 2.318 4.043 . 0 0 "[ . 1 . 2 . 3]" 1
141 1 6 PHE QD 1 64 TYR QE . . 10.600 5.049 4.415 5.807 . 0 0 "[ . 1 . 2 . 3]" 1
142 1 6 PHE QD 1 65 LEU H . . 8.600 4.283 2.866 4.611 . 0 0 "[ . 1 . 2 . 3]" 1
143 1 6 PHE QD 1 65 LEU MD2 . . 9.600 4.838 4.074 6.341 . 0 0 "[ . 1 . 2 . 3]" 1
144 1 6 PHE QE 1 42 ILE HB . . 6.700 2.589 2.280 3.873 . 0 0 "[ . 1 . 2 . 3]" 1
145 1 6 PHE QE 1 48 MET HA . . 7.500 4.751 4.038 5.600 . 0 0 "[ . 1 . 2 . 3]" 1
146 1 6 PHE QE 1 48 MET QG . . 8.980 4.575 2.924 6.129 . 0 0 "[ . 1 . 2 . 3]" 1
147 1 6 PHE QE 1 51 LEU H . . 8.600 5.983 5.258 6.574 . 0 0 "[ . 1 . 2 . 3]" 1
148 1 6 PHE QE 1 51 LEU HB3 . . 7.800 4.142 3.361 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
149 1 6 PHE QE 1 51 LEU MD1 . . 7.800 3.436 2.600 4.231 . 0 0 "[ . 1 . 2 . 3]" 1
150 1 6 PHE QE 1 51 LEU HG . . 8.300 5.811 5.022 6.498 . 0 0 "[ . 1 . 2 . 3]" 1
151 1 6 PHE QE 1 52 LEU H . . 7.500 4.089 3.424 4.920 . 0 0 "[ . 1 . 2 . 3]" 1
152 1 6 PHE QE 1 52 LEU HA . . 8.600 3.395 2.487 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
153 1 6 PHE QE 1 52 LEU QD . . 11.170 2.668 1.989 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
154 1 6 PHE QE 1 55 LEU QD . . 11.170 2.726 2.143 3.549 . 0 0 "[ . 1 . 2 . 3]" 1
155 1 6 PHE QE 1 64 TYR QB . . 9.600 2.735 2.349 3.817 . 0 0 "[ . 1 . 2 . 3]" 1
156 1 6 PHE QE 1 64 TYR QD . . 10.600 3.058 2.471 3.594 . 0 0 "[ . 1 . 2 . 3]" 1
157 1 6 PHE QE 1 64 TYR QE . . 10.600 4.345 3.661 5.062 . 0 0 "[ . 1 . 2 . 3]" 1
158 1 7 SER H 1 7 SER HB2 . . 3.300 2.791 2.233 3.056 . 0 0 "[ . 1 . 2 . 3]" 1
159 1 7 SER H 1 7 SER HB3 . . 3.400 2.819 2.555 3.475 0.075 29 0 "[ . 1 . 2 . 3]" 1
160 1 7 SER H 1 8 VAL H . . 6.600 4.522 4.441 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
161 1 7 SER H 1 8 VAL MG2 . . 7.600 3.982 3.554 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
162 1 7 SER H 1 62 VAL QG . . 6.960 4.298 3.692 5.186 . 0 0 "[ . 1 . 2 . 3]" 1
163 1 7 SER H 1 63 SER H . . 3.900 3.279 2.970 3.656 . 0 0 "[ . 1 . 2 . 3]" 1
164 1 7 SER H 1 64 TYR HA . . 6.600 3.791 3.624 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
165 1 7 SER H 1 65 LEU H . . 4.800 4.026 3.929 4.230 . 0 0 "[ . 1 . 2 . 3]" 1
166 1 7 SER H 1 65 LEU QB . . 7.600 4.750 4.575 4.896 . 0 0 "[ . 1 . 2 . 3]" 1
167 1 7 SER H 1 65 LEU MD1 . . 7.600 1.910 1.848 2.173 . 0 0 "[ . 1 . 2 . 3]" 1
168 1 7 SER H 1 65 LEU MD2 . . 5.000 2.801 2.220 4.204 . 0 0 "[ . 1 . 2 . 3]" 1
169 1 7 SER H 1 65 LEU HG . . 3.900 3.948 3.656 3.996 0.096 24 0 "[ . 1 . 2 . 3]" 1
170 1 7 SER HA 1 8 VAL H . . 2.900 2.259 2.191 2.341 . 0 0 "[ . 1 . 2 . 3]" 1
171 1 7 SER HA 1 8 VAL MG2 . . 7.200 3.158 2.727 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
172 1 7 SER HA 1 39 LYS HA . . 3.200 2.368 2.091 2.630 . 0 0 "[ . 1 . 2 . 3]" 1
173 1 7 SER HA 1 39 LYS HB2 . . 6.300 4.789 4.482 5.314 . 0 0 "[ . 1 . 2 . 3]" 1
174 1 7 SER HA 1 39 LYS HB3 . . 5.900 4.069 3.401 5.347 . 0 0 "[ . 1 . 2 . 3]" 1
175 1 7 SER HA 1 39 LYS HG2 . . 6.600 2.888 2.213 5.160 . 0 0 "[ . 1 . 2 . 3]" 1
176 1 7 SER HA 1 39 LYS QG . . 6.340 2.557 2.129 3.850 . 0 0 "[ . 1 . 2 . 3]" 1
177 1 7 SER HA 1 39 LYS HG3 . . 6.600 3.535 2.142 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
178 1 7 SER HA 1 40 VAL H . . 6.200 3.675 3.434 3.857 . 0 0 "[ . 1 . 2 . 3]" 1
179 1 7 SER HA 1 65 LEU QB . . 7.600 6.465 6.232 6.779 . 0 0 "[ . 1 . 2 . 3]" 1
180 1 7 SER HA 1 65 LEU MD1 . . 6.000 3.827 3.221 4.258 . 0 0 "[ . 1 . 2 . 3]" 1
181 1 7 SER HA 1 65 LEU MD2 . . 7.200 3.513 3.153 4.711 . 0 0 "[ . 1 . 2 . 3]" 1
182 1 7 SER HB2 1 8 VAL H . . 5.800 4.221 4.022 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
183 1 7 SER HB2 1 62 VAL QG . . 9.160 6.092 5.483 6.806 . 0 0 "[ . 1 . 2 . 3]" 1
184 1 7 SER HB2 1 63 SER H . . 6.600 5.009 3.477 5.594 . 0 0 "[ . 1 . 2 . 3]" 1
185 1 7 SER HB2 1 63 SER QB . . 6.580 4.500 2.339 5.877 . 0 0 "[ . 1 . 2 . 3]" 1
186 1 7 SER HB2 1 65 LEU MD1 . . 4.900 2.306 2.069 2.706 . 0 0 "[ . 1 . 2 . 3]" 1
187 1 7 SER HB2 1 65 LEU MD2 . . 6.200 2.515 2.176 3.420 . 0 0 "[ . 1 . 2 . 3]" 1
188 1 7 SER HB2 1 65 LEU HG . . 5.200 3.189 2.886 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
189 1 7 SER HB3 1 8 VAL H . . 5.100 3.806 2.948 4.300 . 0 0 "[ . 1 . 2 . 3]" 1
190 1 7 SER HB3 1 62 VAL QG . . 8.760 5.471 4.783 6.196 . 0 0 "[ . 1 . 2 . 3]" 1
191 1 7 SER HB3 1 63 SER H . . 4.500 3.935 3.264 4.610 0.110 29 0 "[ . 1 . 2 . 3]" 1
192 1 7 SER HB3 1 65 LEU QB . . 7.600 5.442 4.823 6.568 . 0 0 "[ . 1 . 2 . 3]" 1
193 1 7 SER HB3 1 65 LEU MD1 . . 5.500 2.585 2.208 3.634 . 0 0 "[ . 1 . 2 . 3]" 1
194 1 7 SER HB3 1 65 LEU MD2 . . 5.800 3.727 3.421 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
195 1 7 SER HB3 1 65 LEU HG . . 5.900 4.122 3.294 5.346 . 0 0 "[ . 1 . 2 . 3]" 1
196 1 8 VAL H 1 8 VAL HB . . 3.500 2.578 2.435 2.709 . 0 0 "[ . 1 . 2 . 3]" 1
197 1 8 VAL H 1 8 VAL MG1 . . 4.500 3.805 3.760 3.841 . 0 0 "[ . 1 . 2 . 3]" 1
198 1 8 VAL H 1 8 VAL MG2 . . 3.800 2.731 2.384 2.982 . 0 0 "[ . 1 . 2 . 3]" 1
199 1 8 VAL H 1 38 LYS HB2 . . 6.600 4.045 3.376 4.536 . 0 0 "[ . 1 . 2 . 3]" 1
200 1 8 VAL H 1 38 LYS HB3 . . 4.900 3.460 3.069 4.136 . 0 0 "[ . 1 . 2 . 3]" 1
201 1 8 VAL H 1 39 LYS HA . . 3.800 2.788 2.073 3.461 . 0 0 "[ . 1 . 2 . 3]" 1
202 1 8 VAL H 1 39 LYS QG . . 5.880 3.846 3.228 5.221 . 0 0 "[ . 1 . 2 . 3]" 1
203 1 8 VAL H 1 40 VAL H . . 6.600 4.464 3.799 4.825 . 0 0 "[ . 1 . 2 . 3]" 1
204 1 8 VAL HB 1 10 MET HG2 . . 4.700 4.206 2.866 4.758 0.058 28 0 "[ . 1 . 2 . 3]" 1
205 1 8 VAL HB 1 10 MET QG . . 4.420 3.273 2.332 4.012 . 0 0 "[ . 1 . 2 . 3]" 1
206 1 8 VAL HB 1 10 MET HG3 . . 4.700 3.567 2.350 4.734 0.034 7 0 "[ . 1 . 2 . 3]" 1
207 1 8 VAL HB 1 38 LYS H . . 5.500 5.571 5.330 5.649 0.149 28 0 "[ . 1 . 2 . 3]" 1
208 1 8 VAL HB 1 38 LYS HA . . 4.400 3.611 3.156 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
209 1 8 VAL HB 1 38 LYS HB2 . . 5.700 4.886 3.767 5.754 0.054 6 0 "[ . 1 . 2 . 3]" 1
210 1 8 VAL HB 1 38 LYS HB3 . . 4.600 3.584 2.264 4.453 . 0 0 "[ . 1 . 2 . 3]" 1
211 1 8 VAL MG1 1 9 ASP H . . 4.400 2.779 1.989 3.695 . 0 0 "[ . 1 . 2 . 3]" 1
212 1 8 VAL MG1 1 10 MET H . . 7.600 3.254 2.025 4.513 . 0 0 "[ . 1 . 2 . 3]" 1
213 1 8 VAL MG1 1 10 MET QB . . 8.600 3.511 2.173 4.250 . 0 0 "[ . 1 . 2 . 3]" 1
214 1 8 VAL MG1 1 10 MET HG2 . . 5.700 2.518 1.955 4.019 . 0 0 "[ . 1 . 2 . 3]" 1
215 1 8 VAL MG1 1 10 MET QG . . 5.480 2.097 1.829 2.832 . 0 0 "[ . 1 . 2 . 3]" 1
216 1 8 VAL MG1 1 10 MET HG3 . . 5.700 2.382 2.069 3.661 . 0 0 "[ . 1 . 2 . 3]" 1
217 1 8 VAL MG1 1 39 LYS QG . . 8.480 6.104 5.712 6.326 . 0 0 "[ . 1 . 2 . 3]" 1
218 1 8 VAL MG1 1 40 VAL MG2 . . 7.500 3.017 2.678 3.582 . 0 0 "[ . 1 . 2 . 3]" 1
219 1 8 VAL MG1 1 55 LEU QD . . 9.970 4.659 3.965 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
220 1 8 VAL MG1 1 60 LYS HA . . 7.600 6.098 5.128 6.366 . 0 0 "[ . 1 . 2 . 3]" 1
221 1 8 VAL MG1 1 60 LYS HB2 . . 7.100 4.237 3.172 4.969 . 0 0 "[ . 1 . 2 . 3]" 1
222 1 8 VAL MG1 1 62 VAL HA . . 7.600 3.386 2.329 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
223 1 8 VAL MG1 1 62 VAL HB . . 6.800 2.638 2.211 4.420 . 0 0 "[ . 1 . 2 . 3]" 1
224 1 8 VAL MG2 1 9 ASP H . . 5.800 4.178 3.771 4.478 . 0 0 "[ . 1 . 2 . 3]" 1
225 1 8 VAL MG2 1 39 LYS HA . . 6.100 2.698 2.367 3.091 . 0 0 "[ . 1 . 2 . 3]" 1
226 1 8 VAL MG2 1 40 VAL H . . 7.600 2.565 2.300 3.144 . 0 0 "[ . 1 . 2 . 3]" 1
227 1 8 VAL MG2 1 55 LEU MD1 . . 7.000 4.375 3.743 4.856 . 0 0 "[ . 1 . 2 . 3]" 1
228 1 8 VAL MG2 1 55 LEU MD2 . . 7.000 4.748 4.088 4.888 . 0 0 "[ . 1 . 2 . 3]" 1
229 1 8 VAL MG2 1 62 VAL HA . . 6.400 2.971 2.264 3.894 . 0 0 "[ . 1 . 2 . 3]" 1
230 1 8 VAL MG2 1 63 SER H . . 7.600 3.749 3.267 4.176 . 0 0 "[ . 1 . 2 . 3]" 1
231 1 9 ASP H 1 9 ASP HB2 . . 3.200 2.881 2.073 3.274 0.074 2 0 "[ . 1 . 2 . 3]" 1
232 1 9 ASP H 1 9 ASP HB3 . . 3.200 2.719 2.218 3.361 0.161 7 0 "[ . 1 . 2 . 3]" 1
233 1 9 ASP H 1 10 MET H . . 6.400 3.933 3.177 4.458 . 0 0 "[ . 1 . 2 . 3]" 1
234 1 9 ASP H 1 60 LYS HB2 . . 6.600 5.376 4.079 6.528 . 0 0 "[ . 1 . 2 . 3]" 1
235 1 9 ASP H 1 60 LYS HB3 . . 6.600 4.377 2.979 5.741 . 0 0 "[ . 1 . 2 . 3]" 1
236 1 9 ASP H 1 61 THR H . . 5.800 4.266 3.638 4.793 . 0 0 "[ . 1 . 2 . 3]" 1
237 1 9 ASP H 1 61 THR HB . . 6.000 3.058 2.144 4.922 . 0 0 "[ . 1 . 2 . 3]" 1
238 1 9 ASP H 1 61 THR MG . . 7.600 4.333 3.284 5.879 . 0 0 "[ . 1 . 2 . 3]" 1
239 1 9 ASP H 1 62 VAL HA . . 5.100 3.641 2.785 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
240 1 9 ASP H 1 62 VAL QG . . 9.160 4.469 3.468 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
241 1 9 ASP HA 1 10 MET H . . 3.300 2.290 2.122 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
242 1 9 ASP HA 1 10 MET QG . . 5.580 4.230 3.068 5.020 . 0 0 "[ . 1 . 2 . 3]" 1
243 1 9 ASP HA 1 38 LYS HB2 . . 5.600 4.195 2.673 5.615 0.015 19 0 "[ . 1 . 2 . 3]" 1
244 1 9 ASP HA 1 38 LYS HB3 . . 6.600 3.074 2.068 4.306 . 0 0 "[ . 1 . 2 . 3]" 1
245 1 9 ASP HA 1 38 LYS QE . . 6.800 4.126 2.084 6.097 . 0 0 "[ . 1 . 2 . 3]" 1
246 1 9 ASP HB2 1 10 MET H . . 6.600 4.452 3.774 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
247 1 9 ASP HB2 1 61 THR H . . 5.600 4.717 2.856 5.671 0.071 24 0 "[ . 1 . 2 . 3]" 1
248 1 9 ASP HB2 1 61 THR HB . . 4.600 2.769 2.189 3.845 . 0 0 "[ . 1 . 2 . 3]" 1
249 1 9 ASP HB2 1 61 THR MG . . 7.600 3.544 2.204 4.551 . 0 0 "[ . 1 . 2 . 3]" 1
250 1 9 ASP HB3 1 10 MET H . . 6.200 4.352 3.354 4.587 . 0 0 "[ . 1 . 2 . 3]" 1
251 1 9 ASP HB3 1 61 THR H . . 5.500 3.658 2.182 5.584 0.084 7 0 "[ . 1 . 2 . 3]" 1
252 1 9 ASP HB3 1 61 THR HB . . 5.700 2.684 2.082 3.755 . 0 0 "[ . 1 . 2 . 3]" 1
253 1 10 MET H 1 10 MET HG2 . . 4.000 3.478 2.273 4.042 0.042 28 0 "[ . 1 . 2 . 3]" 1
254 1 10 MET H 1 10 MET QG . . 3.610 2.792 2.066 3.234 . 0 0 "[ . 1 . 2 . 3]" 1
255 1 10 MET H 1 10 MET HG3 . . 4.000 3.147 2.095 4.108 0.108 15 0 "[ . 1 . 2 . 3]" 1
256 1 10 MET H 1 38 LYS HA . . 6.600 4.264 2.972 6.322 . 0 0 "[ . 1 . 2 . 3]" 1
257 1 10 MET H 1 38 LYS HB2 . . 6.600 4.602 3.455 5.968 . 0 0 "[ . 1 . 2 . 3]" 1
258 1 10 MET H 1 38 LYS HB3 . . 5.700 3.142 1.992 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
259 1 10 MET H 1 38 LYS QE . . 7.600 3.877 2.057 5.942 . 0 0 "[ . 1 . 2 . 3]" 1
260 1 10 MET HA 1 10 MET HG2 . . 4.300 2.815 2.244 4.237 . 0 0 "[ . 1 . 2 . 3]" 1
261 1 10 MET HA 1 10 MET QG . . 3.820 2.554 2.188 3.441 . 0 0 "[ . 1 . 2 . 3]" 1
262 1 10 MET HA 1 10 MET HG3 . . 4.300 3.266 2.238 3.923 . 0 0 "[ . 1 . 2 . 3]" 1
263 1 10 MET HA 1 11 THR MG . . 7.600 5.063 3.454 5.801 . 0 0 "[ . 1 . 2 . 3]" 1
264 1 10 MET HA 1 15 CYS HB2 . . 6.100 3.352 2.126 5.348 . 0 0 "[ . 1 . 2 . 3]" 1
265 1 10 MET HA 1 15 CYS QB . . 5.690 2.828 2.063 4.713 . 0 0 "[ . 1 . 2 . 3]" 1
266 1 10 MET HA 1 15 CYS HB3 . . 6.100 3.179 2.221 5.265 . 0 0 "[ . 1 . 2 . 3]" 1
267 1 10 MET QB 1 11 THR HB . . 7.600 5.917 5.098 6.395 . 0 0 "[ . 1 . 2 . 3]" 1
268 1 10 MET QB 1 15 CYS HB2 . . 6.500 3.139 2.126 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
269 1 10 MET QB 1 15 CYS QB . . 6.240 2.517 1.946 3.670 . 0 0 "[ . 1 . 2 . 3]" 1
270 1 10 MET QB 1 15 CYS HB3 . . 6.500 3.056 2.035 4.930 . 0 0 "[ . 1 . 2 . 3]" 1
271 1 10 MET QB 1 38 LYS HA . . 7.600 4.174 2.721 6.834 . 0 0 "[ . 1 . 2 . 3]" 1
272 1 10 MET QB 1 38 LYS QE . . 6.900 4.320 2.451 5.479 . 0 0 "[ . 1 . 2 . 3]" 1
273 1 10 MET QG 1 15 CYS QB . . 4.980 2.700 2.079 3.887 . 0 0 "[ . 1 . 2 . 3]" 1
274 1 10 MET QG 1 16 ALA HA . . 6.580 4.509 2.545 5.908 . 0 0 "[ . 1 . 2 . 3]" 1
275 1 10 MET QG 1 19 VAL MG2 . . 7.280 3.605 2.277 4.700 . 0 0 "[ . 1 . 2 . 3]" 1
276 1 10 MET QG 1 38 LYS HA . . 6.580 4.132 2.776 5.637 . 0 0 "[ . 1 . 2 . 3]" 1
277 1 10 MET HG2 1 15 CYS HB2 . . 6.250 3.919 2.488 6.067 . 0 0 "[ . 1 . 2 . 3]" 1
278 1 10 MET HG2 1 15 CYS HB3 . . 6.250 3.777 2.272 6.200 . 0 0 "[ . 1 . 2 . 3]" 1
279 1 10 MET HG2 1 33 ILE MG . . 7.600 5.001 3.288 6.373 . 0 0 "[ . 1 . 2 . 3]" 1
280 1 10 MET HG3 1 15 CYS HB2 . . 6.250 4.234 2.186 6.293 0.043 7 0 "[ . 1 . 2 . 3]" 1
281 1 10 MET HG3 1 15 CYS HB3 . . 6.250 4.077 2.381 5.981 . 0 0 "[ . 1 . 2 . 3]" 1
282 1 10 MET HG3 1 33 ILE MG . . 7.600 4.777 4.040 5.568 . 0 0 "[ . 1 . 2 . 3]" 1
283 1 11 THR H 1 12 CYS H . . 4.200 2.738 2.082 3.640 . 0 0 "[ . 1 . 2 . 3]" 1
284 1 11 THR H 1 15 CYS HB2 . . 6.100 3.959 2.944 5.595 . 0 0 "[ . 1 . 2 . 3]" 1
285 1 11 THR H 1 15 CYS QB . . 5.940 3.434 2.439 4.344 . 0 0 "[ . 1 . 2 . 3]" 1
286 1 11 THR H 1 15 CYS HB3 . . 6.100 3.895 2.602 4.956 . 0 0 "[ . 1 . 2 . 3]" 1
287 1 11 THR HA 1 11 THR MG . . 3.600 2.293 2.184 3.153 . 0 0 "[ . 1 . 2 . 3]" 1
288 1 11 THR HA 1 12 CYS HB2 . . 5.300 5.193 4.652 5.347 0.047 6 0 "[ . 1 . 2 . 3]" 1
289 1 11 THR HA 1 35 LEU QD . . 9.170 5.507 2.572 6.826 . 0 0 "[ . 1 . 2 . 3]" 1
290 1 11 THR HB 1 12 CYS H . . 5.700 3.701 2.750 4.576 . 0 0 "[ . 1 . 2 . 3]" 1
291 1 11 THR MG 1 12 CYS H . . 7.600 4.222 3.703 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
292 1 11 THR MG 1 12 CYS HB2 . . 7.100 4.944 4.142 5.912 . 0 0 "[ . 1 . 2 . 3]" 1
293 1 12 CYS H 1 12 CYS HB2 . . 3.600 3.294 2.676 3.528 . 0 0 "[ . 1 . 2 . 3]" 1
294 1 12 CYS H 1 15 CYS H . . 5.500 3.432 2.951 3.969 . 0 0 "[ . 1 . 2 . 3]" 1
295 1 12 CYS H 1 15 CYS HA . . 4.800 4.870 4.745 4.932 0.132 23 0 "[ . 1 . 2 . 3]" 1
296 1 12 CYS H 1 15 CYS QB . . 5.580 2.686 2.160 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
297 1 12 CYS H 1 16 ALA H . . 6.600 5.168 4.348 6.032 . 0 0 "[ . 1 . 2 . 3]" 1
298 1 12 CYS HA 1 35 LEU QD . . 8.470 5.209 3.908 6.212 . 0 0 "[ . 1 . 2 . 3]" 1
299 1 14 GLY H 1 15 CYS H . . 6.600 2.854 2.592 2.971 . 0 0 "[ . 1 . 2 . 3]" 1
300 1 14 GLY HA2 1 16 ALA H . . 4.700 3.689 3.260 3.984 . 0 0 "[ . 1 . 2 . 3]" 1
301 1 14 GLY HA2 1 16 ALA MB . . 5.300 4.060 3.217 4.455 . 0 0 "[ . 1 . 2 . 3]" 1
302 1 14 GLY HA2 1 35 LEU QD . . 7.270 5.419 5.397 5.464 . 0 0 "[ . 1 . 2 . 3]" 1
303 1 14 GLY HA3 1 16 ALA MB . . 6.700 5.351 4.737 5.580 . 0 0 "[ . 1 . 2 . 3]" 1
304 1 14 GLY HA3 1 35 LEU QD . . 9.170 6.175 5.829 6.477 . 0 0 "[ . 1 . 2 . 3]" 1
305 1 15 CYS H 1 15 CYS QB . . 3.770 2.391 2.223 2.614 . 0 0 "[ . 1 . 2 . 3]" 1
306 1 15 CYS H 1 16 ALA H . . 3.500 2.672 2.500 2.996 . 0 0 "[ . 1 . 2 . 3]" 1
307 1 15 CYS H 1 17 GLU H . . 4.300 4.209 3.993 4.365 0.065 2 0 "[ . 1 . 2 . 3]" 1
308 1 15 CYS HA 1 15 CYS QB . . 2.590 2.272 2.080 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
309 1 15 CYS HA 1 18 ALA MB . . 3.500 2.590 2.387 2.938 . 0 0 "[ . 1 . 2 . 3]" 1
310 1 15 CYS HA 1 19 VAL H . . 5.400 4.136 3.811 4.712 . 0 0 "[ . 1 . 2 . 3]" 1
311 1 15 CYS HA 1 60 LYS QE . . 7.280 5.203 3.394 6.489 . 0 0 "[ . 1 . 2 . 3]" 1
312 1 15 CYS QB 1 16 ALA H . . 4.540 3.001 2.565 3.623 . 0 0 "[ . 1 . 2 . 3]" 1
313 1 15 CYS QB 1 35 LEU QD . . 9.350 4.057 3.109 4.963 . 0 0 "[ . 1 . 2 . 3]" 1
314 1 15 CYS HB2 1 16 ALA H . . 5.100 3.532 2.634 4.135 . 0 0 "[ . 1 . 2 . 3]" 1
315 1 15 CYS HB3 1 16 ALA H . . 5.100 3.543 2.602 4.145 . 0 0 "[ . 1 . 2 . 3]" 1
316 1 16 ALA H 1 16 ALA MB . . 3.400 2.246 2.204 2.308 . 0 0 "[ . 1 . 2 . 3]" 1
317 1 16 ALA H 1 17 GLU H . . 3.500 2.682 2.488 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
318 1 16 ALA H 1 17 GLU HB3 . . 6.600 6.131 5.891 6.425 . 0 0 "[ . 1 . 2 . 3]" 1
319 1 16 ALA H 1 18 ALA H . . 4.400 4.032 3.924 4.314 . 0 0 "[ . 1 . 2 . 3]" 1
320 1 16 ALA HA 1 18 ALA H . . 4.300 4.343 4.301 4.375 0.075 25 0 "[ . 1 . 2 . 3]" 1
321 1 16 ALA HA 1 19 VAL H . . 4.400 3.468 3.195 3.643 . 0 0 "[ . 1 . 2 . 3]" 1
322 1 16 ALA HA 1 19 VAL HB . . 3.300 2.828 2.480 3.255 . 0 0 "[ . 1 . 2 . 3]" 1
323 1 16 ALA HA 1 19 VAL MG1 . . 7.600 4.221 3.833 4.629 . 0 0 "[ . 1 . 2 . 3]" 1
324 1 16 ALA HA 1 33 ILE HB . . 6.300 5.127 3.678 6.349 0.049 7 0 "[ . 1 . 2 . 3]" 1
325 1 16 ALA HA 1 33 ILE MD . . 6.600 4.171 2.727 5.267 . 0 0 "[ . 1 . 2 . 3]" 1
326 1 16 ALA HA 1 33 ILE QG . . 6.780 3.865 2.410 5.064 . 0 0 "[ . 1 . 2 . 3]" 1
327 1 16 ALA HA 1 33 ILE MG . . 5.600 2.886 2.218 3.759 . 0 0 "[ . 1 . 2 . 3]" 1
328 1 16 ALA MB 1 17 GLU H . . 3.500 2.550 2.326 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
329 1 16 ALA MB 1 18 ALA H . . 6.000 4.547 4.450 4.656 . 0 0 "[ . 1 . 2 . 3]" 1
330 1 16 ALA MB 1 33 ILE MD . . 7.600 3.298 2.347 4.140 . 0 0 "[ . 1 . 2 . 3]" 1
331 1 16 ALA MB 1 33 ILE MG . . 6.500 2.445 2.078 3.115 . 0 0 "[ . 1 . 2 . 3]" 1
332 1 17 GLU H 1 17 GLU HB2 . . 3.600 2.450 2.310 2.694 . 0 0 "[ . 1 . 2 . 3]" 1
333 1 17 GLU H 1 17 GLU HB3 . . 3.800 3.582 3.496 3.664 . 0 0 "[ . 1 . 2 . 3]" 1
334 1 17 GLU H 1 17 GLU HG2 . . 4.100 3.238 2.257 3.852 . 0 0 "[ . 1 . 2 . 3]" 1
335 1 17 GLU H 1 17 GLU HG3 . . 3.000 2.820 2.089 3.115 0.115 17 0 "[ . 1 . 2 . 3]" 1
336 1 17 GLU H 1 18 ALA H . . 3.400 2.774 2.543 2.993 . 0 0 "[ . 1 . 2 . 3]" 1
337 1 17 GLU H 1 18 ALA MB . . 5.700 4.481 4.303 4.619 . 0 0 "[ . 1 . 2 . 3]" 1
338 1 17 GLU H 1 19 VAL H . . 5.100 4.463 4.320 4.648 . 0 0 "[ . 1 . 2 . 3]" 1
339 1 17 GLU HA 1 17 GLU HG2 . . 3.000 2.390 2.201 2.776 . 0 0 "[ . 1 . 2 . 3]" 1
340 1 17 GLU HA 1 17 GLU HG3 . . 3.600 3.320 3.048 3.633 0.033 17 0 "[ . 1 . 2 . 3]" 1
341 1 17 GLU HB2 1 18 ALA H . . 3.900 2.693 2.501 3.005 . 0 0 "[ . 1 . 2 . 3]" 1
342 1 17 GLU HB3 1 17 GLU HG3 . . 3.000 2.933 2.660 3.037 0.037 21 0 "[ . 1 . 2 . 3]" 1
343 1 17 GLU HB3 1 18 ALA H . . 3.800 3.475 3.166 3.709 . 0 0 "[ . 1 . 2 . 3]" 1
344 1 17 GLU HG2 1 18 ALA H . . 6.600 4.908 4.512 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
345 1 17 GLU HG3 1 18 ALA H . . 6.600 4.669 4.168 4.900 . 0 0 "[ . 1 . 2 . 3]" 1
346 1 18 ALA H 1 18 ALA MB . . 3.400 2.272 2.231 2.314 . 0 0 "[ . 1 . 2 . 3]" 1
347 1 18 ALA H 1 19 VAL MG2 . . 7.600 4.399 3.906 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
348 1 18 ALA HA 1 19 VAL MG1 . . 7.600 6.187 6.139 6.235 . 0 0 "[ . 1 . 2 . 3]" 1
349 1 18 ALA HA 1 19 VAL MG2 . . 6.400 5.031 4.832 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
350 1 18 ALA MB 1 19 VAL H . . 3.400 2.362 2.297 2.491 . 0 0 "[ . 1 . 2 . 3]" 1
351 1 18 ALA MB 1 19 VAL HA . . 4.600 3.846 3.816 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
352 1 18 ALA MB 1 19 VAL HB . . 7.600 4.453 4.315 4.653 . 0 0 "[ . 1 . 2 . 3]" 1
353 1 18 ALA MB 1 19 VAL MG2 . . 6.000 3.013 2.813 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
354 1 18 ALA MB 1 20 SER H . . 7.400 4.625 4.488 4.784 . 0 0 "[ . 1 . 2 . 3]" 1
355 1 18 ALA MB 1 22 VAL MG2 . . 8.600 5.271 4.990 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
356 1 18 ALA MB 1 58 THR HA . . 6.600 4.546 3.740 5.442 . 0 0 "[ . 1 . 2 . 3]" 1
357 1 18 ALA MB 1 58 THR HB . . 5.800 3.629 2.873 4.388 . 0 0 "[ . 1 . 2 . 3]" 1
358 1 18 ALA MB 1 58 THR MG . . 6.000 2.861 2.307 3.429 . 0 0 "[ . 1 . 2 . 3]" 1
359 1 19 VAL H 1 19 VAL HB . . 3.000 2.474 2.355 2.666 . 0 0 "[ . 1 . 2 . 3]" 1
360 1 19 VAL H 1 19 VAL MG1 . . 4.600 3.773 3.733 3.822 . 0 0 "[ . 1 . 2 . 3]" 1
361 1 19 VAL H 1 19 VAL MG2 . . 3.400 2.189 2.029 2.335 . 0 0 "[ . 1 . 2 . 3]" 1
362 1 19 VAL H 1 20 SER H . . 3.100 2.823 2.566 2.925 . 0 0 "[ . 1 . 2 . 3]" 1
363 1 19 VAL HA 1 19 VAL MG1 . . 3.400 2.443 2.293 2.538 . 0 0 "[ . 1 . 2 . 3]" 1
364 1 19 VAL HA 1 19 VAL MG2 . . 3.400 2.344 2.279 2.423 . 0 0 "[ . 1 . 2 . 3]" 1
365 1 19 VAL HA 1 22 VAL H . . 5.100 3.696 3.411 3.908 . 0 0 "[ . 1 . 2 . 3]" 1
366 1 19 VAL HA 1 22 VAL MG1 . . 4.900 2.191 2.088 2.360 . 0 0 "[ . 1 . 2 . 3]" 1
367 1 19 VAL HA 1 23 LEU H . . 6.300 3.846 3.681 4.130 . 0 0 "[ . 1 . 2 . 3]" 1
368 1 19 VAL HA 1 55 LEU QD . . 9.170 4.887 4.361 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
369 1 19 VAL HA 1 58 THR MG . . 4.900 3.038 2.530 3.563 . 0 0 "[ . 1 . 2 . 3]" 1
370 1 19 VAL HB 1 20 SER H . . 3.100 2.490 2.346 2.717 . 0 0 "[ . 1 . 2 . 3]" 1
371 1 19 VAL HB 1 33 ILE MD . . 5.500 3.962 2.495 4.632 . 0 0 "[ . 1 . 2 . 3]" 1
372 1 19 VAL HB 1 58 THR MG . . 7.600 5.264 4.707 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
373 1 19 VAL MG1 1 20 SER H . . 5.100 3.238 3.012 3.597 . 0 0 "[ . 1 . 2 . 3]" 1
374 1 19 VAL MG1 1 20 SER HA . . 7.500 3.332 3.132 3.742 . 0 0 "[ . 1 . 2 . 3]" 1
375 1 19 VAL MG1 1 20 SER QB . . 7.780 4.208 3.885 4.748 . 0 0 "[ . 1 . 2 . 3]" 1
376 1 19 VAL MG1 1 22 VAL H . . 7.600 4.979 4.865 5.156 . 0 0 "[ . 1 . 2 . 3]" 1
377 1 19 VAL MG1 1 22 VAL MG2 . . 7.700 5.331 5.094 5.374 . 0 0 "[ . 1 . 2 . 3]" 1
378 1 19 VAL MG1 1 23 LEU H . . 7.600 3.894 3.721 4.098 . 0 0 "[ . 1 . 2 . 3]" 1
379 1 19 VAL MG1 1 23 LEU HB2 . . 7.600 3.514 3.176 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
380 1 19 VAL MG1 1 23 LEU QB . . 6.970 3.415 3.095 3.801 . 0 0 "[ . 1 . 2 . 3]" 1
381 1 19 VAL MG1 1 23 LEU HB3 . . 7.600 4.651 4.263 5.068 . 0 0 "[ . 1 . 2 . 3]" 1
382 1 19 VAL MG1 1 23 LEU MD1 . . 7.300 4.059 3.713 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
383 1 19 VAL MG1 1 23 LEU MD2 . . 5.700 2.075 1.918 2.199 . 0 0 "[ . 1 . 2 . 3]" 1
384 1 19 VAL MG1 1 23 LEU HG . . 6.300 3.319 2.578 3.990 . 0 0 "[ . 1 . 2 . 3]" 1
385 1 19 VAL MG1 1 31 TYR QD . . 9.600 3.874 2.599 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
386 1 19 VAL MG1 1 31 TYR QE . . 9.600 4.621 2.029 6.032 . 0 0 "[ . 1 . 2 . 3]" 1
387 1 19 VAL MG1 1 33 ILE MD . . 5.800 3.388 2.301 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
388 1 19 VAL MG1 1 33 ILE QG . . 4.280 2.809 2.167 3.205 . 0 0 "[ . 1 . 2 . 3]" 1
389 1 19 VAL MG1 1 55 LEU MD1 . . 8.000 4.285 3.483 5.430 . 0 0 "[ . 1 . 2 . 3]" 1
390 1 19 VAL MG1 1 55 LEU QD . . 7.070 3.525 2.978 3.981 . 0 0 "[ . 1 . 2 . 3]" 1
391 1 19 VAL MG1 1 55 LEU MD2 . . 8.000 3.775 3.202 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
392 1 19 VAL MG1 1 58 THR MG . . 8.600 4.242 3.756 4.883 . 0 0 "[ . 1 . 2 . 3]" 1
393 1 19 VAL MG2 1 20 SER H . . 4.900 3.900 3.764 4.037 . 0 0 "[ . 1 . 2 . 3]" 1
394 1 19 VAL MG2 1 23 LEU MD2 . . 8.100 3.742 3.570 4.032 . 0 0 "[ . 1 . 2 . 3]" 1
395 1 19 VAL MG2 1 58 THR HB . . 7.600 4.546 3.780 5.514 . 0 0 "[ . 1 . 2 . 3]" 1
396 1 19 VAL MG2 1 58 THR MG . . 6.200 3.145 2.505 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
397 1 20 SER H 1 20 SER HB2 . . 3.700 2.578 2.346 3.614 . 0 0 "[ . 1 . 2 . 3]" 1
398 1 20 SER H 1 20 SER QB . . 3.440 2.310 2.168 2.665 . 0 0 "[ . 1 . 2 . 3]" 1
399 1 20 SER H 1 20 SER HB3 . . 3.700 2.716 2.379 3.616 . 0 0 "[ . 1 . 2 . 3]" 1
400 1 20 SER H 1 22 VAL H . . 6.000 4.585 4.391 4.788 . 0 0 "[ . 1 . 2 . 3]" 1
401 1 20 SER H 1 33 ILE MD . . 6.900 3.804 2.587 5.184 . 0 0 "[ . 1 . 2 . 3]" 1
402 1 20 SER HA 1 23 LEU H . . 5.000 3.775 3.630 3.950 . 0 0 "[ . 1 . 2 . 3]" 1
403 1 20 SER HA 1 23 LEU HA . . 5.700 5.752 5.544 5.825 0.125 14 0 "[ . 1 . 2 . 3]" 1
404 1 20 SER HA 1 23 LEU HB2 . . 4.700 2.899 2.697 3.111 . 0 0 "[ . 1 . 2 . 3]" 1
405 1 20 SER HA 1 23 LEU QB . . 4.320 2.859 2.661 3.064 . 0 0 "[ . 1 . 2 . 3]" 1
406 1 20 SER HA 1 23 LEU HB3 . . 4.700 4.363 4.083 4.615 . 0 0 "[ . 1 . 2 . 3]" 1
407 1 20 SER HA 1 23 LEU MD2 . . 6.700 3.930 3.471 4.307 . 0 0 "[ . 1 . 2 . 3]" 1
408 1 20 SER HA 1 24 ASN H . . 5.600 3.803 3.654 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
409 1 20 SER HA 1 31 TYR QD . . 8.600 3.771 3.264 4.771 . 0 0 "[ . 1 . 2 . 3]" 1
410 1 20 SER HA 1 31 TYR QE . . 8.200 3.045 2.306 4.325 . 0 0 "[ . 1 . 2 . 3]" 1
411 1 20 SER HA 1 33 ILE MD . . 6.600 3.355 2.280 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
412 1 20 SER QB 1 21 ARG H . . 3.460 2.524 2.345 3.138 . 0 0 "[ . 1 . 2 . 3]" 1
413 1 20 SER QB 1 33 ILE MD . . 6.180 2.854 2.219 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
414 1 20 SER QB 1 33 ILE MG . . 7.080 4.879 4.028 5.286 . 0 0 "[ . 1 . 2 . 3]" 1
415 1 20 SER HB2 1 21 ARG H . . 3.900 3.612 2.385 3.921 0.021 28 0 "[ . 1 . 2 . 3]" 1
416 1 20 SER HB2 1 31 TYR QE . . 8.600 3.284 2.494 5.614 . 0 0 "[ . 1 . 2 . 3]" 1
417 1 20 SER HB3 1 21 ARG H . . 3.900 2.801 2.368 3.906 0.006 22 0 "[ . 1 . 2 . 3]" 1
418 1 20 SER HB3 1 31 TYR QE . . 8.600 4.023 2.610 5.135 . 0 0 "[ . 1 . 2 . 3]" 1
419 1 21 ARG H 1 21 ARG HB2 . . 3.500 2.455 2.329 3.564 0.064 27 0 "[ . 1 . 2 . 3]" 1
420 1 21 ARG H 1 21 ARG HB3 . . 3.600 3.533 2.551 3.634 0.034 21 0 "[ . 1 . 2 . 3]" 1
421 1 21 ARG H 1 21 ARG QD . . 4.680 3.676 3.343 4.247 . 0 0 "[ . 1 . 2 . 3]" 1
422 1 21 ARG H 1 21 ARG HG2 . . 3.500 3.416 2.110 3.599 0.099 11 0 "[ . 1 . 2 . 3]" 1
423 1 21 ARG H 1 21 ARG HG3 . . 3.100 2.293 2.174 3.195 0.095 27 0 "[ . 1 . 2 . 3]" 1
424 1 21 ARG H 1 22 VAL H . . 3.500 2.996 2.780 3.208 . 0 0 "[ . 1 . 2 . 3]" 1
425 1 21 ARG H 1 22 VAL MG1 . . 5.900 4.492 3.960 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
426 1 21 ARG H 1 23 LEU H . . 6.300 4.393 4.169 4.562 . 0 0 "[ . 1 . 2 . 3]" 1
427 1 21 ARG HA 1 21 ARG HG2 . . 3.900 2.494 2.268 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
428 1 21 ARG HA 1 24 ASN H . . 4.400 3.562 3.333 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
429 1 21 ARG HA 1 24 ASN HB2 . . 3.700 3.348 2.356 3.740 0.040 21 0 "[ . 1 . 2 . 3]" 1
430 1 21 ARG HA 1 24 ASN HB3 . . 4.700 3.059 2.241 4.687 . 0 0 "[ . 1 . 2 . 3]" 1
431 1 21 ARG HB2 1 21 ARG QD . . 3.770 2.469 2.329 2.837 . 0 0 "[ . 1 . 2 . 3]" 1
432 1 21 ARG HB2 1 22 VAL H . . 4.300 2.742 2.549 3.947 . 0 0 "[ . 1 . 2 . 3]" 1
433 1 21 ARG HB3 1 21 ARG HG2 . . 2.800 2.455 2.368 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
434 1 21 ARG HB3 1 22 VAL H . . 4.500 3.606 3.318 4.173 . 0 0 "[ . 1 . 2 . 3]" 1
435 1 21 ARG HB3 1 22 VAL MG1 . . 7.000 5.532 5.099 5.843 . 0 0 "[ . 1 . 2 . 3]" 1
436 1 21 ARG HG2 1 22 VAL H . . 5.300 5.064 2.864 5.301 0.001 6 0 "[ . 1 . 2 . 3]" 1
437 1 21 ARG HG3 1 22 VAL H . . 6.600 4.529 2.438 4.698 . 0 0 "[ . 1 . 2 . 3]" 1
438 1 22 VAL H 1 22 VAL MG1 . . 4.100 2.439 1.939 2.813 . 0 0 "[ . 1 . 2 . 3]" 1
439 1 22 VAL H 1 22 VAL MG2 . . 4.200 3.631 3.593 3.682 . 0 0 "[ . 1 . 2 . 3]" 1
440 1 22 VAL H 1 23 LEU H . . 3.500 2.875 2.723 2.984 . 0 0 "[ . 1 . 2 . 3]" 1
441 1 22 VAL HA 1 22 VAL MG2 . . 3.400 2.212 2.127 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
442 1 22 VAL HA 1 24 ASN H . . 5.200 4.635 4.424 4.770 . 0 0 "[ . 1 . 2 . 3]" 1
443 1 22 VAL HA 1 24 ASN HD21 . . 6.600 5.646 4.183 6.614 0.014 10 0 "[ . 1 . 2 . 3]" 1
444 1 22 VAL HA 1 25 LYS H . . 4.800 3.389 3.023 3.627 . 0 0 "[ . 1 . 2 . 3]" 1
445 1 22 VAL HA 1 25 LYS HB2 . . 4.500 2.292 2.116 2.479 . 0 0 "[ . 1 . 2 . 3]" 1
446 1 22 VAL HA 1 25 LYS HB3 . . 3.900 3.776 3.602 3.931 0.031 10 0 "[ . 1 . 2 . 3]" 1
447 1 22 VAL HA 1 25 LYS QE . . 7.000 5.256 5.047 5.657 . 0 0 "[ . 1 . 2 . 3]" 1
448 1 22 VAL HB 1 23 LEU H . . 6.300 3.944 3.783 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
449 1 22 VAL MG1 1 23 LEU H . . 4.800 2.193 2.107 2.338 . 0 0 "[ . 1 . 2 . 3]" 1
450 1 22 VAL MG1 1 23 LEU MD1 . . 7.900 3.556 2.804 3.910 . 0 0 "[ . 1 . 2 . 3]" 1
451 1 22 VAL MG1 1 23 LEU HG . . 6.800 4.413 4.151 4.746 . 0 0 "[ . 1 . 2 . 3]" 1
452 1 22 VAL MG1 1 24 ASN H . . 7.400 4.550 4.463 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
453 1 22 VAL MG1 1 25 LYS HB2 . . 5.600 4.728 4.700 4.775 . 0 0 "[ . 1 . 2 . 3]" 1
454 1 22 VAL MG1 1 55 LEU HA . . 5.400 2.246 1.999 2.817 . 0 0 "[ . 1 . 2 . 3]" 1
455 1 22 VAL MG1 1 55 LEU HB2 . . 7.600 2.926 2.482 3.671 . 0 0 "[ . 1 . 2 . 3]" 1
456 1 22 VAL MG1 1 55 LEU QD . . 8.870 3.656 3.343 4.137 . 0 0 "[ . 1 . 2 . 3]" 1
457 1 22 VAL MG1 1 58 THR H . . 5.300 3.974 3.654 4.415 . 0 0 "[ . 1 . 2 . 3]" 1
458 1 22 VAL MG1 1 58 THR HA . . 5.900 4.791 4.419 4.942 . 0 0 "[ . 1 . 2 . 3]" 1
459 1 22 VAL MG1 1 58 THR MG . . 5.900 2.087 1.975 2.223 . 0 0 "[ . 1 . 2 . 3]" 1
460 1 22 VAL MG2 1 23 LEU H . . 5.400 3.864 3.437 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
461 1 22 VAL MG2 1 23 LEU HA . . 5.100 4.122 3.530 4.279 . 0 0 "[ . 1 . 2 . 3]" 1
462 1 22 VAL MG2 1 23 LEU MD2 . . 7.200 3.660 2.944 4.081 . 0 0 "[ . 1 . 2 . 3]" 1
463 1 22 VAL MG2 1 25 LYS QG . . 6.000 4.085 3.878 4.368 . 0 0 "[ . 1 . 2 . 3]" 1
464 1 22 VAL MG2 1 55 LEU HA . . 7.400 2.541 2.423 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
465 1 22 VAL MG2 1 55 LEU QD . . 7.270 4.530 4.505 4.561 . 0 0 "[ . 1 . 2 . 3]" 1
466 1 23 LEU H 1 23 LEU QB . . 3.900 2.250 2.198 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
467 1 23 LEU H 1 23 LEU MD1 . . 4.600 3.835 3.490 3.925 . 0 0 "[ . 1 . 2 . 3]" 1
468 1 23 LEU H 1 23 LEU MD2 . . 4.600 2.337 2.219 2.469 . 0 0 "[ . 1 . 2 . 3]" 1
469 1 23 LEU H 1 23 LEU HG . . 4.100 4.027 3.734 4.191 0.091 14 0 "[ . 1 . 2 . 3]" 1
470 1 23 LEU H 1 24 ASN H . . 3.300 2.840 2.726 2.970 . 0 0 "[ . 1 . 2 . 3]" 1
471 1 23 LEU HA 1 23 LEU MD1 . . 3.400 2.057 1.978 2.100 . 0 0 "[ . 1 . 2 . 3]" 1
472 1 23 LEU HA 1 23 LEU HG . . 4.200 3.671 3.532 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
473 1 23 LEU HA 1 25 LYS H . . 6.600 4.331 4.102 4.542 . 0 0 "[ . 1 . 2 . 3]" 1
474 1 23 LEU HA 1 26 LEU H . . 4.100 3.260 2.955 3.455 . 0 0 "[ . 1 . 2 . 3]" 1
475 1 23 LEU HA 1 26 LEU HB2 . . 4.400 2.894 2.636 3.330 . 0 0 "[ . 1 . 2 . 3]" 1
476 1 23 LEU HA 1 26 LEU HB3 . . 3.500 3.406 2.807 3.574 0.074 15 0 "[ . 1 . 2 . 3]" 1
477 1 23 LEU HA 1 26 LEU MD1 . . 7.600 4.739 4.402 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
478 1 23 LEU HA 1 29 VAL MG1 . . 6.700 3.037 2.684 3.338 . 0 0 "[ . 1 . 2 . 3]" 1
479 1 23 LEU HA 1 29 VAL MG2 . . 7.200 4.561 3.908 5.172 . 0 0 "[ . 1 . 2 . 3]" 1
480 1 23 LEU HA 1 54 THR MG . . 6.800 3.258 2.161 3.884 . 0 0 "[ . 1 . 2 . 3]" 1
481 1 23 LEU HA 1 55 LEU HB3 . . 5.700 4.478 3.954 5.043 . 0 0 "[ . 1 . 2 . 3]" 1
482 1 23 LEU QB 1 31 TYR QD . . 8.410 2.400 2.133 3.135 . 0 0 "[ . 1 . 2 . 3]" 1
483 1 23 LEU QB 1 31 TYR QE . . 5.880 3.071 2.309 3.727 . 0 0 "[ . 1 . 2 . 3]" 1
484 1 23 LEU HB2 1 24 ASN H . . 3.500 2.839 2.651 3.075 . 0 0 "[ . 1 . 2 . 3]" 1
485 1 23 LEU HB2 1 31 TYR QD . . 8.600 3.352 2.869 3.745 . 0 0 "[ . 1 . 2 . 3]" 1
486 1 23 LEU HB3 1 24 ASN H . . 3.500 3.342 3.061 3.509 0.009 10 0 "[ . 1 . 2 . 3]" 1
487 1 23 LEU HB3 1 31 TYR QD . . 8.600 2.466 2.180 3.384 . 0 0 "[ . 1 . 2 . 3]" 1
488 1 23 LEU MD1 1 24 ASN H . . 7.600 4.752 4.649 4.828 . 0 0 "[ . 1 . 2 . 3]" 1
489 1 23 LEU MD1 1 26 LEU HG . . 4.600 3.637 3.178 3.858 . 0 0 "[ . 1 . 2 . 3]" 1
490 1 23 LEU MD1 1 29 VAL HB . . 7.600 3.804 3.430 4.079 . 0 0 "[ . 1 . 2 . 3]" 1
491 1 23 LEU MD1 1 29 VAL MG1 . . 4.600 2.206 2.007 2.505 . 0 0 "[ . 1 . 2 . 3]" 1
492 1 23 LEU MD1 1 29 VAL MG2 . . 7.400 2.370 1.939 3.173 . 0 0 "[ . 1 . 2 . 3]" 1
493 1 23 LEU MD1 1 31 TYR QD . . 9.600 3.588 2.680 4.514 . 0 0 "[ . 1 . 2 . 3]" 1
494 1 23 LEU MD1 1 31 TYR QE . . 9.600 4.927 4.277 5.779 . 0 0 "[ . 1 . 2 . 3]" 1
495 1 23 LEU MD1 1 42 ILE MD . . 5.400 2.099 1.929 2.395 . 0 0 "[ . 1 . 2 . 3]" 1
496 1 23 LEU MD1 1 42 ILE MG . . 6.600 3.051 2.458 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
497 1 23 LEU MD1 1 54 THR HB . . 6.600 3.932 2.804 5.308 . 0 0 "[ . 1 . 2 . 3]" 1
498 1 23 LEU MD1 1 55 LEU H . . 7.600 4.185 3.393 5.110 . 0 0 "[ . 1 . 2 . 3]" 1
499 1 23 LEU MD1 1 55 LEU HA . . 7.600 4.525 3.549 5.286 . 0 0 "[ . 1 . 2 . 3]" 1
500 1 23 LEU MD1 1 55 LEU HB3 . . 6.900 2.966 2.341 3.724 . 0 0 "[ . 1 . 2 . 3]" 1
501 1 23 LEU MD1 1 55 LEU QD . . 10.170 2.509 2.143 3.125 . 0 0 "[ . 1 . 2 . 3]" 1
502 1 23 LEU MD1 1 55 LEU HG . . 6.400 4.461 3.887 5.054 . 0 0 "[ . 1 . 2 . 3]" 1
503 1 23 LEU MD2 1 24 ASN H . . 6.500 4.350 4.245 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
504 1 23 LEU MD2 1 29 VAL HB . . 7.600 6.255 5.758 6.390 . 0 0 "[ . 1 . 2 . 3]" 1
505 1 23 LEU MD2 1 29 VAL MG1 . . 7.200 4.099 3.864 4.405 . 0 0 "[ . 1 . 2 . 3]" 1
506 1 23 LEU MD2 1 29 VAL MG2 . . 8.100 4.541 3.593 5.007 . 0 0 "[ . 1 . 2 . 3]" 1
507 1 23 LEU MD2 1 31 TYR HA . . 7.600 5.853 4.678 6.350 . 0 0 "[ . 1 . 2 . 3]" 1
508 1 23 LEU MD2 1 31 TYR QB . . 7.200 3.738 2.800 4.253 . 0 0 "[ . 1 . 2 . 3]" 1
509 1 23 LEU MD2 1 31 TYR QD . . 9.600 4.254 3.602 4.778 . 0 0 "[ . 1 . 2 . 3]" 1
510 1 23 LEU MD2 1 31 TYR QE . . 9.600 4.994 3.233 5.783 . 0 0 "[ . 1 . 2 . 3]" 1
511 1 23 LEU MD2 1 42 ILE MD . . 6.200 2.948 2.449 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
512 1 23 LEU MD2 1 42 ILE HG12 . . 6.100 4.655 3.731 5.083 . 0 0 "[ . 1 . 2 . 3]" 1
513 1 23 LEU MD2 1 42 ILE HG13 . . 6.900 5.190 4.276 5.540 . 0 0 "[ . 1 . 2 . 3]" 1
514 1 23 LEU MD2 1 42 ILE MG . . 7.600 4.671 3.938 5.234 . 0 0 "[ . 1 . 2 . 3]" 1
515 1 23 LEU MD2 1 51 LEU MD2 . . 8.600 4.196 3.705 4.729 . 0 0 "[ . 1 . 2 . 3]" 1
516 1 23 LEU MD2 1 55 LEU H . . 7.600 4.256 3.790 4.803 . 0 0 "[ . 1 . 2 . 3]" 1
517 1 23 LEU MD2 1 55 LEU HA . . 7.600 3.435 2.974 3.872 . 0 0 "[ . 1 . 2 . 3]" 1
518 1 23 LEU MD2 1 55 LEU HB3 . . 6.900 2.330 2.100 2.672 . 0 0 "[ . 1 . 2 . 3]" 1
519 1 23 LEU MD2 1 55 LEU MD1 . . 8.600 3.757 3.354 4.380 . 0 0 "[ . 1 . 2 . 3]" 1
520 1 23 LEU MD2 1 55 LEU QD . . 7.460 2.399 2.175 2.855 . 0 0 "[ . 1 . 2 . 3]" 1
521 1 23 LEU MD2 1 55 LEU MD2 . . 8.600 2.431 2.191 2.912 . 0 0 "[ . 1 . 2 . 3]" 1
522 1 23 LEU MD2 1 55 LEU HG . . 5.300 4.293 4.053 4.447 . 0 0 "[ . 1 . 2 . 3]" 1
523 1 23 LEU HG 1 24 ASN H . . 6.400 5.149 4.950 5.362 . 0 0 "[ . 1 . 2 . 3]" 1
524 1 23 LEU HG 1 29 VAL MG1 . . 6.200 3.603 2.831 3.985 . 0 0 "[ . 1 . 2 . 3]" 1
525 1 23 LEU HG 1 29 VAL MG2 . . 6.800 3.837 2.307 4.859 . 0 0 "[ . 1 . 2 . 3]" 1
526 1 23 LEU HG 1 55 LEU QD . . 8.670 3.996 3.687 4.596 . 0 0 "[ . 1 . 2 . 3]" 1
527 1 24 ASN H 1 24 ASN HB2 . . 3.400 2.567 2.235 2.955 . 0 0 "[ . 1 . 2 . 3]" 1
528 1 24 ASN H 1 24 ASN HB3 . . 3.400 2.704 2.115 3.530 0.130 12 0 "[ . 1 . 2 . 3]" 1
529 1 24 ASN H 1 24 ASN HD21 . . 4.000 3.449 2.201 4.087 0.087 24 0 "[ . 1 . 2 . 3]" 1
530 1 24 ASN H 1 25 LYS H . . 3.300 2.762 2.612 2.909 . 0 0 "[ . 1 . 2 . 3]" 1
531 1 24 ASN H 1 26 LEU H . . 6.200 4.209 4.069 4.370 . 0 0 "[ . 1 . 2 . 3]" 1
532 1 24 ASN H 1 29 VAL MG1 . . 7.400 3.973 3.704 4.339 . 0 0 "[ . 1 . 2 . 3]" 1
533 1 24 ASN H 1 31 TYR QE . . 8.600 3.560 2.589 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
534 1 24 ASN HA 1 24 ASN HD21 . . 4.000 3.893 3.323 4.074 0.074 6 0 "[ . 1 . 2 . 3]" 1
535 1 24 ASN HA 1 29 VAL MG1 . . 7.000 3.135 2.709 3.415 . 0 0 "[ . 1 . 2 . 3]" 1
536 1 24 ASN HA 1 31 TYR QE . . 8.600 3.326 2.510 5.719 . 0 0 "[ . 1 . 2 . 3]" 1
537 1 24 ASN HB2 1 25 LYS H . . 5.000 3.534 2.510 4.242 . 0 0 "[ . 1 . 2 . 3]" 1
538 1 24 ASN HB3 1 24 ASN HD22 . . 4.100 3.709 3.466 4.130 0.030 18 0 "[ . 1 . 2 . 3]" 1
539 1 24 ASN HB3 1 25 LYS H . . 5.400 2.932 2.529 3.556 . 0 0 "[ . 1 . 2 . 3]" 1
540 1 24 ASN HB3 1 29 VAL MG1 . . 6.500 5.264 4.811 5.455 . 0 0 "[ . 1 . 2 . 3]" 1
541 1 24 ASN HD21 1 29 VAL MG1 . . 7.600 5.828 4.524 6.365 . 0 0 "[ . 1 . 2 . 3]" 1
542 1 25 LYS H 1 25 LYS HB2 . . 3.500 2.223 2.126 2.358 . 0 0 "[ . 1 . 2 . 3]" 1
543 1 25 LYS H 1 25 LYS HB3 . . 3.700 3.502 3.409 3.577 . 0 0 "[ . 1 . 2 . 3]" 1
544 1 25 LYS H 1 26 LEU H . . 3.300 2.811 2.667 2.874 . 0 0 "[ . 1 . 2 . 3]" 1
545 1 25 LYS H 1 27 GLY H . . 4.300 4.336 4.233 4.372 0.072 24 0 "[ . 1 . 2 . 3]" 1
546 1 25 LYS HA 1 25 LYS QD . . 4.800 2.219 2.114 2.484 . 0 0 "[ . 1 . 2 . 3]" 1
547 1 25 LYS HB2 1 25 LYS QE . . 5.000 4.123 3.453 4.487 . 0 0 "[ . 1 . 2 . 3]" 1
548 1 25 LYS HB2 1 26 LEU H . . 4.300 3.006 2.720 3.359 . 0 0 "[ . 1 . 2 . 3]" 1
549 1 25 LYS HB3 1 26 LEU H . . 3.400 3.433 3.233 3.465 0.065 20 0 "[ . 1 . 2 . 3]" 1
550 1 26 LEU H 1 26 LEU HB2 . . 3.000 2.241 2.151 2.351 . 0 0 "[ . 1 . 2 . 3]" 1
551 1 26 LEU H 1 26 LEU HB3 . . 2.800 2.730 2.551 2.818 0.018 2 0 "[ . 1 . 2 . 3]" 1
552 1 26 LEU H 1 26 LEU MD1 . . 5.500 4.398 4.319 4.448 . 0 0 "[ . 1 . 2 . 3]" 1
553 1 26 LEU H 1 26 LEU MD2 . . 5.000 3.983 3.841 4.099 . 0 0 "[ . 1 . 2 . 3]" 1
554 1 26 LEU H 1 26 LEU HG . . 4.700 4.410 4.314 4.506 . 0 0 "[ . 1 . 2 . 3]" 1
555 1 26 LEU H 1 27 GLY H . . 3.300 2.749 2.509 2.928 . 0 0 "[ . 1 . 2 . 3]" 1
556 1 26 LEU H 1 29 VAL MG1 . . 5.700 4.069 3.726 4.633 . 0 0 "[ . 1 . 2 . 3]" 1
557 1 26 LEU HA 1 26 LEU MD1 . . 4.600 3.362 3.123 3.544 . 0 0 "[ . 1 . 2 . 3]" 1
558 1 26 LEU HA 1 26 LEU MD2 . . 3.400 2.058 2.006 2.148 . 0 0 "[ . 1 . 2 . 3]" 1
559 1 26 LEU HA 1 54 THR MG . . 6.800 3.278 2.644 4.125 . 0 0 "[ . 1 . 2 . 3]" 1
560 1 26 LEU HB2 1 26 LEU HG . . 3.000 2.233 2.175 2.312 . 0 0 "[ . 1 . 2 . 3]" 1
561 1 26 LEU HB2 1 27 GLY H . . 3.900 3.677 3.352 3.862 . 0 0 "[ . 1 . 2 . 3]" 1
562 1 26 LEU HB2 1 27 GLY HA3 . . 5.500 5.603 5.555 5.710 0.210 18 0 "[ . 1 . 2 . 3]" 1
563 1 26 LEU HB2 1 29 VAL MG1 . . 5.300 3.756 3.211 4.357 . 0 0 "[ . 1 . 2 . 3]" 1
564 1 26 LEU HB3 1 27 GLY H . . 4.000 2.604 2.392 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
565 1 26 LEU MD1 1 27 GLY H . . 6.300 3.685 3.499 3.871 . 0 0 "[ . 1 . 2 . 3]" 1
566 1 26 LEU MD1 1 29 VAL MG1 . . 5.300 3.197 2.616 3.684 . 0 0 "[ . 1 . 2 . 3]" 1
567 1 26 LEU MD1 1 29 VAL MG2 . . 7.600 3.602 3.101 4.076 . 0 0 "[ . 1 . 2 . 3]" 1
568 1 26 LEU MD1 1 46 HIS QB . . 8.600 3.230 2.394 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
569 1 26 LEU MD1 1 46 HIS HD2 . . 6.800 3.335 2.595 4.556 . 0 0 "[ . 1 . 2 . 3]" 1
570 1 26 LEU MD1 1 46 HIS HE1 . . 7.600 3.175 2.380 4.387 . 0 0 "[ . 1 . 2 . 3]" 1
571 1 26 LEU MD1 1 54 THR H . . 6.900 5.787 5.757 5.824 . 0 0 "[ . 1 . 2 . 3]" 1
572 1 26 LEU MD2 1 27 GLY H . . 6.900 4.467 4.363 4.612 . 0 0 "[ . 1 . 2 . 3]" 1
573 1 26 LEU MD2 1 46 HIS HD2 . . 7.600 5.804 4.691 6.345 . 0 0 "[ . 1 . 2 . 3]" 1
574 1 26 LEU MD2 1 46 HIS HE1 . . 7.600 4.926 3.538 6.334 . 0 0 "[ . 1 . 2 . 3]" 1
575 1 26 LEU MD2 1 51 LEU HA . . 5.800 3.966 3.346 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
576 1 26 LEU MD2 1 51 LEU MD2 . . 5.800 3.780 3.097 4.050 . 0 0 "[ . 1 . 2 . 3]" 1
577 1 26 LEU HG 1 27 GLY H . . 5.000 5.036 4.850 5.095 0.095 4 0 "[ . 1 . 2 . 3]" 1
578 1 26 LEU HG 1 46 HIS HD2 . . 6.300 5.706 4.701 6.357 0.057 5 0 "[ . 1 . 2 . 3]" 1
579 1 26 LEU HG 1 46 HIS HE1 . . 6.400 5.889 3.551 6.440 0.040 23 0 "[ . 1 . 2 . 3]" 1
580 1 26 LEU HG 1 54 THR H . . 5.600 4.995 4.730 5.179 . 0 0 "[ . 1 . 2 . 3]" 1
581 1 27 GLY H 1 28 GLY H . . 6.600 3.646 3.084 4.009 . 0 0 "[ . 1 . 2 . 3]" 1
582 1 27 GLY H 1 29 VAL MG1 . . 5.100 3.254 2.442 4.031 . 0 0 "[ . 1 . 2 . 3]" 1
583 1 27 GLY HA2 1 29 VAL H . . 5.200 4.983 4.207 5.247 0.047 2 0 "[ . 1 . 2 . 3]" 1
584 1 27 GLY HA2 1 29 VAL MG1 . . 7.100 5.029 3.480 5.966 . 0 0 "[ . 1 . 2 . 3]" 1
585 1 27 GLY HA3 1 29 VAL MG1 . . 6.500 4.637 3.915 5.343 . 0 0 "[ . 1 . 2 . 3]" 1
586 1 28 GLY H 1 29 VAL H . . 4.700 2.708 2.072 3.619 . 0 0 "[ . 1 . 2 . 3]" 1
587 1 29 VAL H 1 29 VAL MG1 . . 3.800 2.002 1.812 2.363 . 0 0 "[ . 1 . 2 . 3]" 1
588 1 29 VAL H 1 30 LYS H . . 6.600 4.568 4.220 4.733 . 0 0 "[ . 1 . 2 . 3]" 1
589 1 29 VAL HA 1 29 VAL MG2 . . 3.700 2.409 2.241 2.611 . 0 0 "[ . 1 . 2 . 3]" 1
590 1 29 VAL HA 1 44 SER HB2 . . 5.100 3.143 2.075 4.717 . 0 0 "[ . 1 . 2 . 3]" 1
591 1 29 VAL HA 1 44 SER QB . . 4.870 2.760 1.992 4.139 . 0 0 "[ . 1 . 2 . 3]" 1
592 1 29 VAL HA 1 44 SER HB3 . . 5.100 3.333 2.255 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
593 1 29 VAL HA 1 46 HIS HD2 . . 6.600 3.363 2.340 6.615 0.015 27 0 "[ . 1 . 2 . 3]" 1
594 1 29 VAL HB 1 30 LYS H . . 4.700 4.211 3.895 4.532 . 0 0 "[ . 1 . 2 . 3]" 1
595 1 29 VAL HB 1 31 TYR QD . . 8.100 4.748 4.348 5.485 . 0 0 "[ . 1 . 2 . 3]" 1
596 1 29 VAL HB 1 31 TYR QE . . 8.600 5.932 5.409 7.011 . 0 0 "[ . 1 . 2 . 3]" 1
597 1 29 VAL HB 1 42 ILE MD . . 7.600 5.353 4.937 5.970 . 0 0 "[ . 1 . 2 . 3]" 1
598 1 29 VAL HB 1 42 ILE MG . . 5.800 4.174 3.619 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
599 1 29 VAL HB 1 44 SER QB . . 7.480 3.761 3.165 4.335 . 0 0 "[ . 1 . 2 . 3]" 1
600 1 29 VAL HB 1 46 HIS HD2 . . 6.600 2.889 2.209 5.463 . 0 0 "[ . 1 . 2 . 3]" 1
601 1 29 VAL MG1 1 30 LYS H . . 7.600 4.031 3.461 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
602 1 29 VAL MG1 1 30 LYS QE . . 8.600 6.325 3.988 6.475 . 0 0 "[ . 1 . 2 . 3]" 1
603 1 29 VAL MG1 1 31 TYR QB . . 8.600 3.483 2.292 4.673 . 0 0 "[ . 1 . 2 . 3]" 1
604 1 29 VAL MG1 1 31 TYR QD . . 8.200 2.185 1.932 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
605 1 29 VAL MG1 1 31 TYR QE . . 8.600 2.994 2.399 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
606 1 29 VAL MG1 1 46 HIS HD2 . . 7.600 4.348 3.719 6.264 . 0 0 "[ . 1 . 2 . 3]" 1
607 1 29 VAL MG2 1 30 LYS H . . 7.300 2.610 2.166 3.181 . 0 0 "[ . 1 . 2 . 3]" 1
608 1 29 VAL MG2 1 31 TYR QD . . 9.600 2.882 2.167 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
609 1 29 VAL MG2 1 31 TYR QE . . 9.600 4.670 4.068 5.669 . 0 0 "[ . 1 . 2 . 3]" 1
610 1 29 VAL MG2 1 44 SER QB . . 6.680 2.238 1.953 2.854 . 0 0 "[ . 1 . 2 . 3]" 1
611 1 29 VAL MG2 1 46 HIS H . . 7.600 5.022 3.612 6.064 . 0 0 "[ . 1 . 2 . 3]" 1
612 1 29 VAL MG2 1 46 HIS HD2 . . 5.200 3.145 2.154 4.363 . 0 0 "[ . 1 . 2 . 3]" 1
613 1 29 VAL MG2 1 46 HIS HE1 . . 7.600 5.474 2.883 6.369 . 0 0 "[ . 1 . 2 . 3]" 1
614 1 29 VAL MG2 1 51 LEU MD2 . . 7.500 2.115 1.905 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
615 1 30 LYS H 1 30 LYS QB . . 3.860 2.396 2.151 2.641 . 0 0 "[ . 1 . 2 . 3]" 1
616 1 30 LYS H 1 31 TYR QD . . 8.600 4.833 3.692 5.551 . 0 0 "[ . 1 . 2 . 3]" 1
617 1 30 LYS H 1 42 ILE MG . . 6.900 3.723 3.108 4.225 . 0 0 "[ . 1 . 2 . 3]" 1
618 1 30 LYS H 1 43 GLU H . . 4.700 4.196 3.265 4.724 0.024 8 0 "[ . 1 . 2 . 3]" 1
619 1 30 LYS H 1 44 SER QB . . 7.480 2.601 2.008 4.362 . 0 0 "[ . 1 . 2 . 3]" 1
620 1 30 LYS HA 1 30 LYS QG . . 3.850 2.730 2.228 3.335 . 0 0 "[ . 1 . 2 . 3]" 1
621 1 30 LYS HA 1 31 TYR H . . 3.100 2.095 2.006 2.357 . 0 0 "[ . 1 . 2 . 3]" 1
622 1 30 LYS HA 1 31 TYR QD . . 8.600 3.746 2.586 4.474 . 0 0 "[ . 1 . 2 . 3]" 1
623 1 30 LYS HA 1 31 TYR QE . . 8.600 4.599 3.475 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
624 1 30 LYS QB 1 31 TYR H . . 4.260 3.798 2.728 3.876 . 0 0 "[ . 1 . 2 . 3]" 1
625 1 30 LYS HB2 1 31 TYR H . . 4.500 4.360 3.910 4.515 0.015 3 0 "[ . 1 . 2 . 3]" 1
626 1 30 LYS HB3 1 31 TYR H . . 4.500 4.216 2.784 4.503 0.003 9 0 "[ . 1 . 2 . 3]" 1
627 1 30 LYS QD 1 31 TYR H . . 7.600 2.537 2.074 3.606 . 0 0 "[ . 1 . 2 . 3]" 1
628 1 30 LYS QD 1 33 ILE MD . . 7.400 5.488 4.882 5.565 . 0 0 "[ . 1 . 2 . 3]" 1
629 1 30 LYS QE 1 31 TYR H . . 7.600 3.813 2.689 4.525 . 0 0 "[ . 1 . 2 . 3]" 1
630 1 30 LYS QE 1 33 ILE MD . . 8.600 5.616 4.192 6.390 . 0 0 "[ . 1 . 2 . 3]" 1
631 1 30 LYS QG 1 31 TYR H . . 5.920 3.813 2.702 4.496 . 0 0 "[ . 1 . 2 . 3]" 1
632 1 30 LYS HG2 1 31 TYR H . . 6.600 4.398 2.733 5.169 . 0 0 "[ . 1 . 2 . 3]" 1
633 1 30 LYS HG3 1 31 TYR H . . 6.600 4.520 3.430 5.133 . 0 0 "[ . 1 . 2 . 3]" 1
634 1 31 TYR H 1 31 TYR QE . . 7.400 3.853 3.491 4.289 . 0 0 "[ . 1 . 2 . 3]" 1
635 1 31 TYR H 1 32 ASP H . . 5.200 4.445 3.938 4.578 . 0 0 "[ . 1 . 2 . 3]" 1
636 1 31 TYR H 1 33 ILE MD . . 7.600 5.085 3.942 5.581 . 0 0 "[ . 1 . 2 . 3]" 1
637 1 31 TYR HA 1 32 ASP H . . 3.200 2.278 2.189 2.337 . 0 0 "[ . 1 . 2 . 3]" 1
638 1 31 TYR HA 1 40 VAL MG1 . . 7.600 3.985 3.453 4.666 . 0 0 "[ . 1 . 2 . 3]" 1
639 1 31 TYR HA 1 42 ILE HA . . 3.100 2.237 2.037 2.593 . 0 0 "[ . 1 . 2 . 3]" 1
640 1 31 TYR HA 1 42 ILE HG12 . . 5.200 2.633 2.260 4.378 . 0 0 "[ . 1 . 2 . 3]" 1
641 1 31 TYR HA 1 42 ILE HG13 . . 6.600 4.158 3.798 5.562 . 0 0 "[ . 1 . 2 . 3]" 1
642 1 31 TYR HA 1 42 ILE MG . . 7.600 2.640 2.278 3.744 . 0 0 "[ . 1 . 2 . 3]" 1
643 1 31 TYR HA 1 43 GLU H . . 3.900 3.510 2.689 3.909 0.009 24 0 "[ . 1 . 2 . 3]" 1
644 1 31 TYR QB 1 33 ILE HG12 . . 6.800 4.552 3.055 5.805 . 0 0 "[ . 1 . 2 . 3]" 1
645 1 31 TYR QB 1 33 ILE QG . . 6.500 3.401 2.238 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
646 1 31 TYR QB 1 33 ILE HG13 . . 6.800 3.517 2.301 4.564 . 0 0 "[ . 1 . 2 . 3]" 1
647 1 31 TYR QB 1 33 ILE MG . . 8.600 5.485 4.651 6.218 . 0 0 "[ . 1 . 2 . 3]" 1
648 1 31 TYR QB 1 40 VAL HB . . 7.600 5.731 5.048 6.414 . 0 0 "[ . 1 . 2 . 3]" 1
649 1 31 TYR QB 1 40 VAL MG1 . . 7.000 2.973 2.439 3.559 . 0 0 "[ . 1 . 2 . 3]" 1
650 1 31 TYR QB 1 40 VAL MG2 . . 8.600 4.036 3.481 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
651 1 31 TYR QB 1 42 ILE HA . . 5.900 3.656 2.188 4.121 . 0 0 "[ . 1 . 2 . 3]" 1
652 1 31 TYR QB 1 42 ILE MD . . 8.600 2.892 2.414 4.184 . 0 0 "[ . 1 . 2 . 3]" 1
653 1 31 TYR QB 1 42 ILE HG12 . . 5.400 2.526 2.061 3.404 . 0 0 "[ . 1 . 2 . 3]" 1
654 1 31 TYR QB 1 42 ILE HG13 . . 6.800 3.985 3.278 4.840 . 0 0 "[ . 1 . 2 . 3]" 1
655 1 31 TYR QB 1 42 ILE MG . . 7.800 2.674 2.078 3.546 . 0 0 "[ . 1 . 2 . 3]" 1
656 1 31 TYR QB 1 43 GLU H . . 7.100 4.862 3.438 5.365 . 0 0 "[ . 1 . 2 . 3]" 1
657 1 31 TYR QD 1 32 ASP H . . 8.600 4.021 3.708 4.904 . 0 0 "[ . 1 . 2 . 3]" 1
658 1 31 TYR QD 1 32 ASP HA . . 8.600 3.737 3.024 5.058 . 0 0 "[ . 1 . 2 . 3]" 1
659 1 31 TYR QD 1 33 ILE H . . 8.600 4.532 3.514 5.475 . 0 0 "[ . 1 . 2 . 3]" 1
660 1 31 TYR QD 1 33 ILE HB . . 8.600 4.844 3.877 5.782 . 0 0 "[ . 1 . 2 . 3]" 1
661 1 31 TYR QD 1 33 ILE MD . . 9.000 2.242 2.017 3.638 . 0 0 "[ . 1 . 2 . 3]" 1
662 1 31 TYR QD 1 33 ILE HG12 . . 7.200 3.842 2.715 4.732 . 0 0 "[ . 1 . 2 . 3]" 1
663 1 31 TYR QD 1 33 ILE HG13 . . 7.200 2.937 2.392 4.343 . 0 0 "[ . 1 . 2 . 3]" 1
664 1 31 TYR QD 1 33 ILE MG . . 9.600 4.991 4.237 5.590 . 0 0 "[ . 1 . 2 . 3]" 1
665 1 31 TYR QD 1 42 ILE HA . . 8.600 5.362 4.291 5.773 . 0 0 "[ . 1 . 2 . 3]" 1
666 1 31 TYR QD 1 42 ILE MG . . 9.600 3.921 3.459 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
667 1 31 TYR QE 1 33 ILE MD . . 8.800 2.530 2.032 3.155 . 0 0 "[ . 1 . 2 . 3]" 1
668 1 31 TYR QE 1 33 ILE QG . . 9.480 4.059 2.035 5.086 . 0 0 "[ . 1 . 2 . 3]" 1
669 1 32 ASP H 1 32 ASP HB2 . . 3.600 2.605 2.227 3.263 . 0 0 "[ . 1 . 2 . 3]" 1
670 1 32 ASP H 1 32 ASP HB3 . . 3.600 3.442 2.613 3.678 0.078 9 0 "[ . 1 . 2 . 3]" 1
671 1 32 ASP H 1 33 ILE H . . 5.000 4.299 3.974 4.527 . 0 0 "[ . 1 . 2 . 3]" 1
672 1 32 ASP HA 1 33 ILE H . . 3.300 2.255 2.075 2.418 . 0 0 "[ . 1 . 2 . 3]" 1
673 1 32 ASP HA 1 33 ILE MD . . 7.600 3.173 2.358 4.760 . 0 0 "[ . 1 . 2 . 3]" 1
674 1 32 ASP HB2 1 33 ILE H . . 5.600 4.201 3.794 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
675 1 32 ASP HB2 1 41 CYS HB2 . . 4.800 4.263 2.100 4.882 0.082 2 0 "[ . 1 . 2 . 3]" 1
676 1 32 ASP HB2 1 41 CYS HB3 . . 5.500 4.760 3.583 5.525 0.025 23 0 "[ . 1 . 2 . 3]" 1
677 1 32 ASP HB3 1 33 ILE H . . 5.200 3.312 2.907 3.968 . 0 0 "[ . 1 . 2 . 3]" 1
678 1 32 ASP HB3 1 41 CYS H . . 5.100 3.992 2.456 4.660 . 0 0 "[ . 1 . 2 . 3]" 1
679 1 32 ASP HB3 1 41 CYS HB2 . . 5.800 4.781 2.396 5.869 0.069 17 0 "[ . 1 . 2 . 3]" 1
680 1 32 ASP HB3 1 41 CYS HB3 . . 5.600 5.094 2.704 5.655 0.055 19 0 "[ . 1 . 2 . 3]" 1
681 1 33 ILE H 1 33 ILE HB . . 3.700 2.668 2.368 3.011 . 0 0 "[ . 1 . 2 . 3]" 1
682 1 33 ILE H 1 33 ILE MD . . 5.600 2.832 2.077 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
683 1 33 ILE HA 1 33 ILE MD . . 4.800 3.723 3.465 3.960 . 0 0 "[ . 1 . 2 . 3]" 1
684 1 33 ILE HA 1 33 ILE HG12 . . 3.500 3.278 2.497 3.562 0.062 13 0 "[ . 1 . 2 . 3]" 1
685 1 33 ILE HA 1 33 ILE QG . . 3.090 2.488 2.350 2.629 . 0 0 "[ . 1 . 2 . 3]" 1
686 1 33 ILE HA 1 33 ILE HG13 . . 3.500 2.634 2.388 3.202 . 0 0 "[ . 1 . 2 . 3]" 1
687 1 33 ILE HA 1 33 ILE MG . . 3.400 2.364 2.247 2.540 . 0 0 "[ . 1 . 2 . 3]" 1
688 1 33 ILE HA 1 34 ASP H . . 3.400 2.191 2.141 2.250 . 0 0 "[ . 1 . 2 . 3]" 1
689 1 33 ILE HA 1 40 VAL HA . . 4.000 2.408 2.251 2.595 . 0 0 "[ . 1 . 2 . 3]" 1
690 1 33 ILE HA 1 40 VAL MG1 . . 7.600 3.898 3.602 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
691 1 33 ILE HA 1 41 CYS H . . 5.200 3.692 3.335 4.073 . 0 0 "[ . 1 . 2 . 3]" 1
692 1 33 ILE HB 1 33 ILE MD . . 3.400 2.218 2.132 2.530 . 0 0 "[ . 1 . 2 . 3]" 1
693 1 33 ILE HB 1 34 ASP H . . 4.800 4.345 4.009 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
694 1 33 ILE HB 1 40 VAL HA . . 5.500 5.374 4.961 5.542 0.042 2 0 "[ . 1 . 2 . 3]" 1
695 1 33 ILE MD 1 34 ASP H . . 7.600 5.306 5.123 5.604 . 0 0 "[ . 1 . 2 . 3]" 1
696 1 33 ILE HG12 1 34 ASP H . . 5.500 5.206 4.563 5.577 0.077 15 0 "[ . 1 . 2 . 3]" 1
697 1 33 ILE HG13 1 34 ASP H . . 5.500 4.791 4.520 5.285 . 0 0 "[ . 1 . 2 . 3]" 1
698 1 33 ILE MG 1 34 ASP H . . 6.000 3.054 2.541 3.379 . 0 0 "[ . 1 . 2 . 3]" 1
699 1 33 ILE MG 1 35 LEU H . . 7.600 3.650 2.907 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
700 1 33 ILE MG 1 38 LYS HA . . 7.600 4.851 3.909 5.552 . 0 0 "[ . 1 . 2 . 3]" 1
701 1 34 ASP H 1 34 ASP HB2 . . 3.900 2.874 2.698 3.172 . 0 0 "[ . 1 . 2 . 3]" 1
702 1 34 ASP H 1 35 LEU H . . 5.600 4.166 3.796 4.434 . 0 0 "[ . 1 . 2 . 3]" 1
703 1 34 ASP H 1 35 LEU HA . . 6.600 4.869 4.549 5.217 . 0 0 "[ . 1 . 2 . 3]" 1
704 1 34 ASP H 1 39 LYS H . . 5.800 3.333 3.079 3.633 . 0 0 "[ . 1 . 2 . 3]" 1
705 1 34 ASP H 1 40 VAL HA . . 4.700 3.017 2.546 3.569 . 0 0 "[ . 1 . 2 . 3]" 1
706 1 34 ASP H 1 41 CYS H . . 4.700 4.465 3.835 4.746 0.046 13 0 "[ . 1 . 2 . 3]" 1
707 1 34 ASP HA 1 35 LEU H . . 3.500 2.156 2.093 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
708 1 34 ASP HA 1 35 LEU HA . . 5.700 4.445 4.376 4.499 . 0 0 "[ . 1 . 2 . 3]" 1
709 1 34 ASP HA 1 36 PRO HD2 . . 6.000 3.182 2.651 3.646 . 0 0 "[ . 1 . 2 . 3]" 1
710 1 34 ASP HA 1 36 PRO HD3 . . 6.600 4.797 4.306 5.246 . 0 0 "[ . 1 . 2 . 3]" 1
711 1 34 ASP HB2 1 35 LEU H . . 5.100 4.428 4.221 4.570 . 0 0 "[ . 1 . 2 . 3]" 1
712 1 34 ASP HB2 1 39 LYS H . . 5.800 4.313 3.778 4.826 . 0 0 "[ . 1 . 2 . 3]" 1
713 1 34 ASP HB2 1 39 LYS HB2 . . 5.300 3.652 3.170 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
714 1 34 ASP HB2 1 39 LYS HB3 . . 5.300 4.652 3.406 5.308 0.008 3 0 "[ . 1 . 2 . 3]" 1
715 1 34 ASP HB3 1 35 LEU H . . 6.200 4.361 4.190 4.454 . 0 0 "[ . 1 . 2 . 3]" 1
716 1 34 ASP HB3 1 39 LYS H . . 6.600 2.605 2.029 3.179 . 0 0 "[ . 1 . 2 . 3]" 1
717 1 34 ASP HB3 1 39 LYS HB2 . . 4.500 2.385 2.068 3.232 . 0 0 "[ . 1 . 2 . 3]" 1
718 1 34 ASP HB3 1 39 LYS HB3 . . 5.000 3.658 2.219 4.141 . 0 0 "[ . 1 . 2 . 3]" 1
719 1 35 LEU H 1 35 LEU HB2 . . 3.800 2.353 2.151 2.621 . 0 0 "[ . 1 . 2 . 3]" 1
720 1 35 LEU H 1 35 LEU HB3 . . 3.700 3.069 2.372 3.644 . 0 0 "[ . 1 . 2 . 3]" 1
721 1 35 LEU H 1 36 PRO HD2 . . 4.400 2.198 2.068 2.574 . 0 0 "[ . 1 . 2 . 3]" 1
722 1 35 LEU H 1 36 PRO HD3 . . 4.600 3.263 3.005 3.416 . 0 0 "[ . 1 . 2 . 3]" 1
723 1 35 LEU H 1 36 PRO QG . . 7.480 4.067 3.938 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
724 1 35 LEU H 1 37 ASN H . . 6.600 4.337 4.104 4.765 . 0 0 "[ . 1 . 2 . 3]" 1
725 1 35 LEU HA 1 35 LEU HG . . 4.100 3.242 2.245 3.767 . 0 0 "[ . 1 . 2 . 3]" 1
726 1 35 LEU HA 1 38 LYS H . . 5.200 3.486 3.260 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
727 1 35 LEU HA 1 38 LYS HA . . 5.200 3.521 2.945 4.655 . 0 0 "[ . 1 . 2 . 3]" 1
728 1 35 LEU HA 1 39 LYS H . . 6.600 4.291 3.893 5.275 . 0 0 "[ . 1 . 2 . 3]" 1
729 1 35 LEU HB2 1 36 PRO HD2 . . 5.000 3.366 2.517 4.352 . 0 0 "[ . 1 . 2 . 3]" 1
730 1 35 LEU HB2 1 36 PRO HD3 . . 4.700 3.158 2.245 4.221 . 0 0 "[ . 1 . 2 . 3]" 1
731 1 35 LEU HB2 1 36 PRO QG . . 6.680 4.874 4.101 5.747 . 0 0 "[ . 1 . 2 . 3]" 1
732 1 35 LEU HB3 1 35 LEU HG . . 2.700 2.495 2.329 2.712 0.012 2 0 "[ . 1 . 2 . 3]" 1
733 1 35 LEU HB3 1 36 PRO HD3 . . 3.800 2.704 2.203 3.495 . 0 0 "[ . 1 . 2 . 3]" 1
734 1 35 LEU QD 1 36 PRO HD3 . . 9.170 3.837 3.348 4.158 . 0 0 "[ . 1 . 2 . 3]" 1
735 1 36 PRO HA 1 38 LYS QG . . 7.600 4.439 3.655 5.958 . 0 0 "[ . 1 . 2 . 3]" 1
736 1 36 PRO HB2 1 37 ASN QD . . 7.470 3.602 3.222 3.928 . 0 0 "[ . 1 . 2 . 3]" 1
737 1 36 PRO HB3 1 37 ASN H . . 4.700 4.211 4.109 4.610 . 0 0 "[ . 1 . 2 . 3]" 1
738 1 36 PRO HB3 1 37 ASN HD21 . . 6.000 5.429 5.000 5.795 . 0 0 "[ . 1 . 2 . 3]" 1
739 1 36 PRO HB3 1 37 ASN QD . . 5.590 4.859 4.534 5.010 . 0 0 "[ . 1 . 2 . 3]" 1
740 1 36 PRO HB3 1 37 ASN HD22 . . 6.000 5.517 5.124 6.029 0.029 6 0 "[ . 1 . 2 . 3]" 1
741 1 36 PRO HD2 1 37 ASN H . . 4.500 3.159 3.008 3.795 . 0 0 "[ . 1 . 2 . 3]" 1
742 1 36 PRO QG 1 37 ASN H . . 5.370 2.483 2.214 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
743 1 37 ASN H 1 37 ASN HB2 . . 3.600 2.545 2.409 2.839 . 0 0 "[ . 1 . 2 . 3]" 1
744 1 37 ASN H 1 37 ASN HD21 . . 4.700 2.552 2.059 3.890 . 0 0 "[ . 1 . 2 . 3]" 1
745 1 37 ASN H 1 37 ASN QD . . 4.280 2.502 2.050 3.732 . 0 0 "[ . 1 . 2 . 3]" 1
746 1 37 ASN H 1 37 ASN HD22 . . 4.700 3.750 3.500 4.802 0.102 15 0 "[ . 1 . 2 . 3]" 1
747 1 37 ASN H 1 38 LYS H . . 3.800 2.521 1.975 2.714 . 0 0 "[ . 1 . 2 . 3]" 1
748 1 37 ASN H 1 39 LYS H . . 5.100 4.275 4.046 4.488 . 0 0 "[ . 1 . 2 . 3]" 1
749 1 37 ASN H 1 39 LYS QD . . 7.600 5.590 4.510 6.774 . 0 0 "[ . 1 . 2 . 3]" 1
750 1 37 ASN HB2 1 37 ASN HD22 . . 4.100 3.591 3.522 3.751 . 0 0 "[ . 1 . 2 . 3]" 1
751 1 37 ASN HB2 1 38 LYS H . . 6.000 3.356 2.238 3.740 . 0 0 "[ . 1 . 2 . 3]" 1
752 1 37 ASN HB2 1 39 LYS HB2 . . 5.400 3.298 2.306 4.649 . 0 0 "[ . 1 . 2 . 3]" 1
753 1 37 ASN HB3 1 38 LYS H . . 6.600 4.166 3.219 4.416 . 0 0 "[ . 1 . 2 . 3]" 1
754 1 37 ASN HB3 1 39 LYS HB2 . . 4.900 4.045 2.442 4.953 0.053 15 0 "[ . 1 . 2 . 3]" 1
755 1 37 ASN HB3 1 39 LYS HB3 . . 5.700 5.428 4.092 5.740 0.040 5 0 "[ . 1 . 2 . 3]" 1
756 1 37 ASN HB3 1 39 LYS QD . . 6.000 3.096 2.140 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
757 1 37 ASN HB3 1 39 LYS HG2 . . 6.200 4.801 3.892 5.590 . 0 0 "[ . 1 . 2 . 3]" 1
758 1 37 ASN HB3 1 39 LYS QG . . 5.700 3.427 2.443 4.744 . 0 0 "[ . 1 . 2 . 3]" 1
759 1 37 ASN HB3 1 39 LYS HG3 . . 6.200 3.657 2.465 5.876 . 0 0 "[ . 1 . 2 . 3]" 1
760 1 38 LYS H 1 38 LYS QG . . 5.100 2.969 2.508 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
761 1 38 LYS H 1 39 LYS H . . 4.900 2.626 2.261 3.130 . 0 0 "[ . 1 . 2 . 3]" 1
762 1 38 LYS HB3 1 39 LYS H . . 4.700 4.385 4.157 4.524 . 0 0 "[ . 1 . 2 . 3]" 1
763 1 38 LYS HB3 1 39 LYS HA . . 4.900 4.906 4.798 5.017 0.117 7 0 "[ . 1 . 2 . 3]" 1
764 1 39 LYS H 1 39 LYS HG2 . . 5.400 4.420 3.769 4.893 . 0 0 "[ . 1 . 2 . 3]" 1
765 1 39 LYS H 1 39 LYS HG3 . . 5.400 3.641 2.693 4.618 . 0 0 "[ . 1 . 2 . 3]" 1
766 1 39 LYS H 1 40 VAL H . . 6.600 4.434 4.213 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
767 1 39 LYS HA 1 39 LYS HG2 . . 3.700 2.741 2.300 3.718 0.018 7 0 "[ . 1 . 2 . 3]" 1
768 1 39 LYS HA 1 39 LYS HG3 . . 3.700 2.919 2.243 3.402 . 0 0 "[ . 1 . 2 . 3]" 1
769 1 39 LYS HA 1 40 VAL H . . 3.100 2.333 2.170 2.468 . 0 0 "[ . 1 . 2 . 3]" 1
770 1 39 LYS HA 1 40 VAL MG2 . . 7.600 4.055 3.477 4.316 . 0 0 "[ . 1 . 2 . 3]" 1
771 1 39 LYS HB2 1 40 VAL H . . 5.200 3.983 3.604 4.489 . 0 0 "[ . 1 . 2 . 3]" 1
772 1 39 LYS HB3 1 40 VAL H . . 4.500 2.804 2.372 3.808 . 0 0 "[ . 1 . 2 . 3]" 1
773 1 39 LYS QD 1 40 VAL H . . 7.100 4.959 3.644 5.853 . 0 0 "[ . 1 . 2 . 3]" 1
774 1 39 LYS QG 1 40 VAL H . . 5.550 3.689 2.348 4.485 . 0 0 "[ . 1 . 2 . 3]" 1
775 1 39 LYS HG2 1 40 VAL H . . 6.400 4.061 3.514 4.847 . 0 0 "[ . 1 . 2 . 3]" 1
776 1 39 LYS HG3 1 40 VAL H . . 6.400 4.575 2.363 5.290 . 0 0 "[ . 1 . 2 . 3]" 1
777 1 40 VAL H 1 40 VAL HB . . 4.100 2.367 2.106 2.433 . 0 0 "[ . 1 . 2 . 3]" 1
778 1 40 VAL H 1 40 VAL MG1 . . 4.000 3.462 3.408 3.487 . 0 0 "[ . 1 . 2 . 3]" 1
779 1 40 VAL H 1 40 VAL MG2 . . 3.800 3.187 2.878 3.239 . 0 0 "[ . 1 . 2 . 3]" 1
780 1 40 VAL H 1 41 CYS H . . 5.900 4.241 4.112 4.338 . 0 0 "[ . 1 . 2 . 3]" 1
781 1 40 VAL HA 1 41 CYS H . . 3.200 2.210 2.129 2.316 . 0 0 "[ . 1 . 2 . 3]" 1
782 1 40 VAL HA 1 41 CYS HB2 . . 5.700 5.349 4.487 5.797 0.097 17 0 "[ . 1 . 2 . 3]" 1
783 1 40 VAL HB 1 41 CYS H . . 4.300 4.297 4.127 4.390 0.090 4 0 "[ . 1 . 2 . 3]" 1
784 1 40 VAL HB 1 55 LEU QD . . 9.170 4.550 4.186 5.075 . 0 0 "[ . 1 . 2 . 3]" 1
785 1 40 VAL MG1 1 41 CYS H . . 4.700 2.589 2.315 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
786 1 40 VAL MG1 1 42 ILE H . . 7.600 3.968 3.562 4.302 . 0 0 "[ . 1 . 2 . 3]" 1
787 1 40 VAL MG1 1 55 LEU QD . . 8.770 3.343 2.824 3.820 . 0 0 "[ . 1 . 2 . 3]" 1
788 1 40 VAL MG2 1 41 CYS H . . 4.900 3.689 3.469 4.051 . 0 0 "[ . 1 . 2 . 3]" 1
789 1 41 CYS H 1 42 ILE H . . 6.000 4.300 3.840 4.399 . 0 0 "[ . 1 . 2 . 3]" 1
790 1 41 CYS H 1 42 ILE HG12 . . 6.600 4.228 3.630 4.836 . 0 0 "[ . 1 . 2 . 3]" 1
791 1 41 CYS HA 1 42 ILE H . . 3.300 2.259 2.137 2.379 . 0 0 "[ . 1 . 2 . 3]" 1
792 1 41 CYS HA 1 42 ILE HA . . 4.900 4.465 4.388 4.521 . 0 0 "[ . 1 . 2 . 3]" 1
793 1 41 CYS HB2 1 42 ILE H . . 6.000 3.462 2.657 4.462 . 0 0 "[ . 1 . 2 . 3]" 1
794 1 41 CYS HB3 1 42 ILE H . . 4.800 3.897 2.590 4.573 . 0 0 "[ . 1 . 2 . 3]" 1
795 1 42 ILE H 1 42 ILE HG12 . . 4.000 3.728 3.369 4.004 0.004 22 0 "[ . 1 . 2 . 3]" 1
796 1 42 ILE H 1 42 ILE HG13 . . 3.800 2.763 2.383 2.974 . 0 0 "[ . 1 . 2 . 3]" 1
797 1 42 ILE HA 1 42 ILE HG12 . . 3.400 2.614 2.503 2.733 . 0 0 "[ . 1 . 2 . 3]" 1
798 1 42 ILE HA 1 42 ILE HG13 . . 4.100 3.299 3.078 3.421 . 0 0 "[ . 1 . 2 . 3]" 1
799 1 42 ILE HA 1 42 ILE MG . . 3.600 2.333 2.247 2.397 . 0 0 "[ . 1 . 2 . 3]" 1
800 1 42 ILE HA 1 43 GLU H . . 2.700 2.176 2.041 2.326 . 0 0 "[ . 1 . 2 . 3]" 1
801 1 42 ILE HA 1 43 GLU HB2 . . 5.900 4.302 3.717 4.582 . 0 0 "[ . 1 . 2 . 3]" 1
802 1 42 ILE HA 1 43 GLU HB3 . . 5.900 4.642 3.728 5.281 . 0 0 "[ . 1 . 2 . 3]" 1
803 1 42 ILE HB 1 42 ILE HG13 . . 2.900 2.436 2.345 2.541 . 0 0 "[ . 1 . 2 . 3]" 1
804 1 42 ILE HB 1 43 GLU H . . 4.000 4.016 3.816 4.182 0.182 2 0 "[ . 1 . 2 . 3]" 1
805 1 42 ILE MD 1 44 SER QB . . 8.480 5.131 4.376 5.824 . 0 0 "[ . 1 . 2 . 3]" 1
806 1 42 ILE MD 1 55 LEU QD . . 7.470 2.490 1.936 2.977 . 0 0 "[ . 1 . 2 . 3]" 1
807 1 42 ILE HG12 1 51 LEU MD1 . . 5.600 4.418 4.084 4.694 . 0 0 "[ . 1 . 2 . 3]" 1
808 1 42 ILE MG 1 43 GLU H . . 4.600 2.497 2.239 3.152 . 0 0 "[ . 1 . 2 . 3]" 1
809 1 42 ILE MG 1 43 GLU HA . . 7.600 3.790 3.335 4.334 . 0 0 "[ . 1 . 2 . 3]" 1
810 1 42 ILE MG 1 44 SER H . . 7.600 3.579 2.986 4.375 . 0 0 "[ . 1 . 2 . 3]" 1
811 1 42 ILE MG 1 44 SER HB2 . . 5.000 3.069 2.279 4.181 . 0 0 "[ . 1 . 2 . 3]" 1
812 1 42 ILE MG 1 44 SER QB . . 4.770 2.804 2.101 3.566 . 0 0 "[ . 1 . 2 . 3]" 1
813 1 42 ILE MG 1 44 SER HB3 . . 5.000 3.559 2.462 4.178 . 0 0 "[ . 1 . 2 . 3]" 1
814 1 42 ILE MG 1 51 LEU MD1 . . 8.100 2.109 1.958 2.292 . 0 0 "[ . 1 . 2 . 3]" 1
815 1 42 ILE MG 1 51 LEU MD2 . . 6.000 2.648 2.070 3.864 . 0 0 "[ . 1 . 2 . 3]" 1
816 1 43 GLU H 1 43 GLU HB2 . . 3.200 3.048 2.271 3.240 0.040 8 0 "[ . 1 . 2 . 3]" 1
817 1 43 GLU H 1 43 GLU HB3 . . 3.200 2.847 2.408 3.397 0.197 17 0 "[ . 1 . 2 . 3]" 1
818 1 43 GLU H 1 44 SER H . . 4.700 3.884 3.535 4.410 . 0 0 "[ . 1 . 2 . 3]" 1
819 1 43 GLU HA 1 44 SER H . . 2.800 2.266 2.127 2.408 . 0 0 "[ . 1 . 2 . 3]" 1
820 1 43 GLU QG 1 44 SER H . . 5.800 3.631 2.472 4.297 . 0 0 "[ . 1 . 2 . 3]" 1
821 1 44 SER H 1 46 HIS H . . 4.500 4.296 3.878 4.591 0.091 18 0 "[ . 1 . 2 . 3]" 1
822 1 44 SER QB 1 46 HIS H . . 4.780 3.161 2.219 3.699 . 0 0 "[ . 1 . 2 . 3]" 1
823 1 44 SER QB 1 46 HIS HD2 . . 5.900 2.933 2.307 4.515 . 0 0 "[ . 1 . 2 . 3]" 1
824 1 44 SER QB 1 51 LEU MD1 . . 6.680 3.396 2.416 4.161 . 0 0 "[ . 1 . 2 . 3]" 1
825 1 44 SER QB 1 51 LEU MD2 . . 7.450 3.598 2.759 4.346 . 0 0 "[ . 1 . 2 . 3]" 1
826 1 44 SER HB2 1 46 HIS H . . 5.100 4.312 3.073 5.152 0.052 3 0 "[ . 1 . 2 . 3]" 1
827 1 44 SER HB2 1 46 HIS HD2 . . 6.400 3.814 2.592 5.858 . 0 0 "[ . 1 . 2 . 3]" 1
828 1 44 SER HB2 1 51 LEU MD1 . . 7.400 4.146 3.217 5.084 . 0 0 "[ . 1 . 2 . 3]" 1
829 1 44 SER HB2 1 51 LEU MD2 . . 7.600 4.319 3.132 5.570 . 0 0 "[ . 1 . 2 . 3]" 1
830 1 44 SER HB3 1 46 HIS H . . 5.100 3.384 2.249 5.135 0.035 8 0 "[ . 1 . 2 . 3]" 1
831 1 44 SER HB3 1 46 HIS HD2 . . 6.400 3.195 2.341 5.189 . 0 0 "[ . 1 . 2 . 3]" 1
832 1 44 SER HB3 1 51 LEU MD1 . . 7.400 3.838 2.475 5.121 . 0 0 "[ . 1 . 2 . 3]" 1
833 1 44 SER HB3 1 51 LEU MD2 . . 7.600 4.002 3.065 4.936 . 0 0 "[ . 1 . 2 . 3]" 1
834 1 45 GLU H 1 45 GLU QG . . 4.880 2.768 1.818 4.275 . 0 0 "[ . 1 . 2 . 3]" 1
835 1 45 GLU H 1 46 HIS H . . 3.900 3.287 2.018 3.824 . 0 0 "[ . 1 . 2 . 3]" 1
836 1 45 GLU HA 1 45 GLU HG2 . . 3.700 2.957 2.352 3.650 . 0 0 "[ . 1 . 2 . 3]" 1
837 1 45 GLU HA 1 45 GLU QG . . 3.440 2.542 2.178 3.254 . 0 0 "[ . 1 . 2 . 3]" 1
838 1 45 GLU HA 1 45 GLU HG3 . . 3.700 3.028 2.231 3.737 0.037 30 0 "[ . 1 . 2 . 3]" 1
839 1 45 GLU QG 1 46 HIS H . . 7.480 4.334 3.062 4.902 . 0 0 "[ . 1 . 2 . 3]" 1
840 1 46 HIS H 1 46 HIS QB . . 3.900 2.711 2.079 3.484 . 0 0 "[ . 1 . 2 . 3]" 1
841 1 46 HIS H 1 46 HIS HD2 . . 4.600 3.948 2.620 4.631 0.031 15 0 "[ . 1 . 2 . 3]" 1
842 1 46 HIS H 1 47 SER H . . 6.600 4.433 4.220 4.777 . 0 0 "[ . 1 . 2 . 3]" 1
843 1 46 HIS H 1 51 LEU MD2 . . 7.600 4.831 4.049 5.779 . 0 0 "[ . 1 . 2 . 3]" 1
844 1 46 HIS HA 1 47 SER H . . 2.900 2.367 2.171 2.743 . 0 0 "[ . 1 . 2 . 3]" 1
845 1 46 HIS QB 1 47 SER H . . 4.600 2.793 2.059 3.675 . 0 0 "[ . 1 . 2 . 3]" 1
846 1 46 HIS QB 1 50 THR HB . . 5.900 3.416 2.213 4.994 . 0 0 "[ . 1 . 2 . 3]" 1
847 1 46 HIS QB 1 50 THR MG . . 6.300 3.555 2.417 4.693 . 0 0 "[ . 1 . 2 . 3]" 1
848 1 46 HIS QB 1 51 LEU MD1 . . 7.600 3.300 2.170 5.660 . 0 0 "[ . 1 . 2 . 3]" 1
849 1 46 HIS QB 1 51 LEU MD2 . . 7.000 2.915 2.102 5.168 . 0 0 "[ . 1 . 2 . 3]" 1
850 1 46 HIS QB 1 51 LEU HG . . 6.400 3.246 2.338 5.698 . 0 0 "[ . 1 . 2 . 3]" 1
851 1 46 HIS HD2 1 50 THR MG . . 7.600 5.603 2.985 6.350 . 0 0 "[ . 1 . 2 . 3]" 1
852 1 46 HIS HD2 1 51 LEU MD1 . . 7.600 4.356 2.603 5.874 . 0 0 "[ . 1 . 2 . 3]" 1
853 1 46 HIS HD2 1 51 LEU MD2 . . 7.100 3.215 2.182 4.675 . 0 0 "[ . 1 . 2 . 3]" 1
854 1 46 HIS HE1 1 50 THR MG . . 7.600 4.935 2.276 6.342 . 0 0 "[ . 1 . 2 . 3]" 1
855 1 47 SER H 1 47 SER HB2 . . 3.200 2.592 2.269 3.401 0.201 26 0 "[ . 1 . 2 . 3]" 1
856 1 47 SER H 1 47 SER HB3 . . 3.900 2.627 2.138 2.958 . 0 0 "[ . 1 . 2 . 3]" 1
857 1 47 SER H 1 48 MET H . . 5.500 4.587 4.474 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
858 1 47 SER H 1 50 THR H . . 6.300 4.450 3.392 5.422 . 0 0 "[ . 1 . 2 . 3]" 1
859 1 47 SER H 1 50 THR HB . . 4.600 3.366 2.441 4.569 . 0 0 "[ . 1 . 2 . 3]" 1
860 1 47 SER HA 1 47 SER HB2 . . 2.700 2.485 2.293 2.615 . 0 0 "[ . 1 . 2 . 3]" 1
861 1 47 SER HA 1 48 MET H . . 3.300 2.219 2.121 2.436 . 0 0 "[ . 1 . 2 . 3]" 1
862 1 47 SER HA 1 48 MET QB . . 6.700 4.303 3.895 4.734 . 0 0 "[ . 1 . 2 . 3]" 1
863 1 47 SER HA 1 48 MET QG . . 7.080 4.475 3.287 5.746 . 0 0 "[ . 1 . 2 . 3]" 1
864 1 47 SER HA 1 49 ASP H . . 4.200 4.163 3.852 4.285 0.085 7 0 "[ . 1 . 2 . 3]" 1
865 1 47 SER HB3 1 48 MET H . . 4.500 3.830 2.895 4.292 . 0 0 "[ . 1 . 2 . 3]" 1
866 1 47 SER HB3 1 49 ASP H . . 4.000 3.608 2.847 4.096 0.096 26 0 "[ . 1 . 2 . 3]" 1
867 1 47 SER HB3 1 49 ASP QB . . 7.300 3.718 2.380 4.924 . 0 0 "[ . 1 . 2 . 3]" 1
868 1 48 MET H 1 48 MET QG . . 4.180 2.782 1.849 3.816 . 0 0 "[ . 1 . 2 . 3]" 1
869 1 48 MET H 1 49 ASP H . . 3.600 2.726 2.108 3.163 . 0 0 "[ . 1 . 2 . 3]" 1
870 1 48 MET HA 1 48 MET HG2 . . 3.900 2.727 2.411 3.355 . 0 0 "[ . 1 . 2 . 3]" 1
871 1 48 MET HA 1 48 MET QG . . 3.280 2.424 2.259 2.649 . 0 0 "[ . 1 . 2 . 3]" 1
872 1 48 MET HA 1 48 MET HG3 . . 3.900 2.944 2.337 3.534 . 0 0 "[ . 1 . 2 . 3]" 1
873 1 48 MET HA 1 51 LEU H . . 4.400 3.692 3.350 4.028 . 0 0 "[ . 1 . 2 . 3]" 1
874 1 48 MET HA 1 51 LEU HB2 . . 3.600 3.123 2.806 3.639 0.039 28 0 "[ . 1 . 2 . 3]" 1
875 1 48 MET HA 1 51 LEU HB3 . . 5.900 4.759 4.453 5.257 . 0 0 "[ . 1 . 2 . 3]" 1
876 1 48 MET HA 1 51 LEU MD1 . . 5.200 2.632 2.276 3.823 . 0 0 "[ . 1 . 2 . 3]" 1
877 1 48 MET HA 1 52 LEU H . . 5.700 3.995 3.791 4.503 . 0 0 "[ . 1 . 2 . 3]" 1
878 1 48 MET QB 1 55 LEU QD . . 9.970 6.160 5.580 6.613 . 0 0 "[ . 1 . 2 . 3]" 1
879 1 48 MET QG 1 49 ASP H . . 4.290 3.711 3.310 3.885 . 0 0 "[ . 1 . 2 . 3]" 1
880 1 48 MET HG2 1 49 ASP H . . 5.100 4.317 3.406 4.878 . 0 0 "[ . 1 . 2 . 3]" 1
881 1 48 MET HG2 1 64 TYR QE . . 8.600 4.402 3.184 5.447 . 0 0 "[ . 1 . 2 . 3]" 1
882 1 48 MET HG3 1 49 ASP H . . 5.100 4.285 3.587 4.910 . 0 0 "[ . 1 . 2 . 3]" 1
883 1 48 MET HG3 1 64 TYR QE . . 8.600 4.683 3.145 6.383 . 0 0 "[ . 1 . 2 . 3]" 1
884 1 49 ASP H 1 49 ASP QB . . 3.800 2.413 2.088 2.824 . 0 0 "[ . 1 . 2 . 3]" 1
885 1 49 ASP H 1 50 THR H . . 3.400 2.773 2.587 2.957 . 0 0 "[ . 1 . 2 . 3]" 1
886 1 49 ASP H 1 50 THR HB . . 5.100 4.974 4.668 5.144 0.044 27 0 "[ . 1 . 2 . 3]" 1
887 1 49 ASP HA 1 50 THR H . . 3.400 3.470 3.373 3.512 0.112 13 0 "[ . 1 . 2 . 3]" 1
888 1 49 ASP HA 1 52 LEU H . . 4.100 3.630 2.645 4.066 . 0 0 "[ . 1 . 2 . 3]" 1
889 1 49 ASP HA 1 52 LEU HB2 . . 3.500 2.802 2.003 3.546 0.046 2 0 "[ . 1 . 2 . 3]" 1
890 1 49 ASP HA 1 52 LEU HB3 . . 4.100 3.475 2.586 4.131 0.031 12 0 "[ . 1 . 2 . 3]" 1
891 1 49 ASP HA 1 52 LEU QD . . 7.370 3.083 2.322 4.702 . 0 0 "[ . 1 . 2 . 3]" 1
892 1 49 ASP HA 1 53 ALA H . . 4.400 3.712 2.820 4.096 . 0 0 "[ . 1 . 2 . 3]" 1
893 1 50 THR H 1 50 THR HB . . 3.000 2.646 2.463 2.793 . 0 0 "[ . 1 . 2 . 3]" 1
894 1 50 THR H 1 50 THR MG . . 4.800 3.700 3.598 3.814 . 0 0 "[ . 1 . 2 . 3]" 1
895 1 50 THR H 1 51 LEU H . . 4.700 2.839 2.406 3.047 . 0 0 "[ . 1 . 2 . 3]" 1
896 1 50 THR H 1 51 LEU HG . . 5.000 4.655 4.116 4.935 . 0 0 "[ . 1 . 2 . 3]" 1
897 1 50 THR H 1 52 LEU H . . 5.600 4.374 4.011 4.621 . 0 0 "[ . 1 . 2 . 3]" 1
898 1 50 THR HA 1 50 THR MG . . 3.500 2.355 2.286 2.455 . 0 0 "[ . 1 . 2 . 3]" 1
899 1 50 THR HA 1 52 LEU H . . 6.100 4.870 4.531 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
900 1 50 THR HA 1 53 ALA MB . . 4.500 2.896 2.409 3.357 . 0 0 "[ . 1 . 2 . 3]" 1
901 1 50 THR HB 1 51 LEU H . . 3.500 2.507 2.264 2.741 . 0 0 "[ . 1 . 2 . 3]" 1
902 1 50 THR MG 1 51 LEU H . . 5.800 3.628 3.386 3.867 . 0 0 "[ . 1 . 2 . 3]" 1
903 1 51 LEU H 1 51 LEU HB2 . . 3.400 2.553 2.488 2.624 . 0 0 "[ . 1 . 2 . 3]" 1
904 1 51 LEU H 1 51 LEU MD1 . . 4.900 3.498 3.271 3.895 . 0 0 "[ . 1 . 2 . 3]" 1
905 1 51 LEU H 1 51 LEU MD2 . . 4.300 3.404 2.920 3.591 . 0 0 "[ . 1 . 2 . 3]" 1
906 1 51 LEU H 1 51 LEU HG . . 2.600 2.227 2.132 2.424 . 0 0 "[ . 1 . 2 . 3]" 1
907 1 51 LEU H 1 52 LEU H . . 3.600 2.770 2.496 2.885 . 0 0 "[ . 1 . 2 . 3]" 1
908 1 51 LEU HA 1 51 LEU MD1 . . 4.700 3.873 3.581 3.930 . 0 0 "[ . 1 . 2 . 3]" 1
909 1 51 LEU HA 1 51 LEU MD2 . . 3.400 2.162 2.078 2.235 . 0 0 "[ . 1 . 2 . 3]" 1
910 1 51 LEU HA 1 51 LEU HG . . 4.100 3.052 2.864 3.377 . 0 0 "[ . 1 . 2 . 3]" 1
911 1 51 LEU HA 1 54 THR H . . 4.500 3.607 3.089 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
912 1 51 LEU HA 1 54 THR HB . . 3.400 2.800 2.463 3.352 . 0 0 "[ . 1 . 2 . 3]" 1
913 1 51 LEU HA 1 54 THR MG . . 5.800 3.913 2.625 4.263 . 0 0 "[ . 1 . 2 . 3]" 1
914 1 51 LEU HA 1 55 LEU H . . 5.900 3.819 3.628 3.935 . 0 0 "[ . 1 . 2 . 3]" 1
915 1 51 LEU HB2 1 51 LEU MD1 . . 3.500 2.286 2.236 2.367 . 0 0 "[ . 1 . 2 . 3]" 1
916 1 51 LEU HB2 1 52 LEU H . . 3.800 2.307 2.143 2.570 . 0 0 "[ . 1 . 2 . 3]" 1
917 1 51 LEU HB3 1 52 LEU H . . 5.000 3.389 3.199 3.726 . 0 0 "[ . 1 . 2 . 3]" 1
918 1 51 LEU HB3 1 52 LEU HA . . 5.500 4.306 4.079 4.602 . 0 0 "[ . 1 . 2 . 3]" 1
919 1 51 LEU HB3 1 54 THR HB . . 5.700 4.719 4.212 5.504 . 0 0 "[ . 1 . 2 . 3]" 1
920 1 51 LEU HB3 1 55 LEU HB2 . . 5.700 5.781 5.743 5.824 0.124 8 0 "[ . 1 . 2 . 3]" 1
921 1 51 LEU HB3 1 55 LEU HB3 . . 5.400 4.453 4.309 4.674 . 0 0 "[ . 1 . 2 . 3]" 1
922 1 51 LEU MD1 1 52 LEU H . . 5.300 4.175 3.955 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
923 1 51 LEU MD2 1 52 LEU H . . 7.600 4.640 4.547 4.701 . 0 0 "[ . 1 . 2 . 3]" 1
924 1 51 LEU MD2 1 54 THR HB . . 7.600 4.055 3.608 4.526 . 0 0 "[ . 1 . 2 . 3]" 1
925 1 51 LEU HG 1 52 LEU H . . 4.200 4.203 3.940 4.256 0.056 13 0 "[ . 1 . 2 . 3]" 1
926 1 52 LEU H 1 52 LEU HB2 . . 3.800 2.168 1.974 2.406 . 0 0 "[ . 1 . 2 . 3]" 1
927 1 52 LEU H 1 52 LEU HB3 . . 3.500 3.233 2.439 3.578 0.078 25 0 "[ . 1 . 2 . 3]" 1
928 1 52 LEU H 1 52 LEU MD1 . . 5.300 3.659 3.142 4.304 . 0 0 "[ . 1 . 2 . 3]" 1
929 1 52 LEU H 1 52 LEU QD . . 4.560 3.359 3.016 3.523 . 0 0 "[ . 1 . 2 . 3]" 1
930 1 52 LEU H 1 52 LEU MD2 . . 5.300 3.998 3.524 4.383 . 0 0 "[ . 1 . 2 . 3]" 1
931 1 52 LEU H 1 52 LEU HG . . 5.100 3.322 2.448 4.505 . 0 0 "[ . 1 . 2 . 3]" 1
932 1 52 LEU H 1 53 ALA H . . 3.600 3.017 2.807 3.187 . 0 0 "[ . 1 . 2 . 3]" 1
933 1 52 LEU H 1 53 ALA MB . . 6.000 4.592 4.433 4.730 . 0 0 "[ . 1 . 2 . 3]" 1
934 1 52 LEU H 1 54 THR H . . 6.200 4.301 4.182 4.504 . 0 0 "[ . 1 . 2 . 3]" 1
935 1 52 LEU HA 1 52 LEU MD1 . . 4.700 3.585 2.249 3.837 . 0 0 "[ . 1 . 2 . 3]" 1
936 1 52 LEU HA 1 52 LEU QD . . 4.020 2.340 1.947 2.985 . 0 0 "[ . 1 . 2 . 3]" 1
937 1 52 LEU HA 1 52 LEU MD2 . . 4.700 2.414 2.120 3.247 . 0 0 "[ . 1 . 2 . 3]" 1
938 1 52 LEU HA 1 52 LEU HG . . 3.400 2.629 2.153 3.547 0.147 22 0 "[ . 1 . 2 . 3]" 1
939 1 52 LEU HA 1 55 LEU H . . 4.000 3.752 3.413 4.016 0.016 8 0 "[ . 1 . 2 . 3]" 1
940 1 52 LEU HA 1 55 LEU QD . . 7.670 2.480 2.271 2.707 . 0 0 "[ . 1 . 2 . 3]" 1
941 1 52 LEU HA 1 56 LYS H . . 5.100 3.655 3.179 4.006 . 0 0 "[ . 1 . 2 . 3]" 1
942 1 52 LEU HB2 1 52 LEU HG . . 2.700 2.533 2.387 2.652 . 0 0 "[ . 1 . 2 . 3]" 1
943 1 52 LEU HB2 1 53 ALA H . . 3.800 2.961 2.443 3.797 . 0 0 "[ . 1 . 2 . 3]" 1
944 1 52 LEU HB3 1 53 ALA H . . 3.200 2.724 2.196 3.227 0.027 27 0 "[ . 1 . 2 . 3]" 1
945 1 52 LEU HB3 1 55 LEU QD . . 9.170 4.409 3.827 4.781 . 0 0 "[ . 1 . 2 . 3]" 1
946 1 52 LEU QD 1 53 ALA H . . 8.070 3.732 2.849 4.153 . 0 0 "[ . 1 . 2 . 3]" 1
947 1 52 LEU QD 1 53 ALA HA . . 8.670 4.246 2.874 5.156 . 0 0 "[ . 1 . 2 . 3]" 1
948 1 52 LEU QD 1 63 SER HA . . 8.170 3.832 2.710 5.236 . 0 0 "[ . 1 . 2 . 3]" 1
949 1 52 LEU QD 1 64 TYR H . . 6.580 3.452 2.176 4.365 . 0 0 "[ . 1 . 2 . 3]" 1
950 1 52 LEU QD 1 64 TYR HA . . 9.170 3.900 3.512 4.530 . 0 0 "[ . 1 . 2 . 3]" 1
951 1 52 LEU QD 1 64 TYR QB . . 8.570 2.096 1.874 2.446 . 0 0 "[ . 1 . 2 . 3]" 1
952 1 52 LEU MD1 1 64 TYR H . . 7.600 4.408 3.750 5.458 . 0 0 "[ . 1 . 2 . 3]" 1
953 1 52 LEU MD2 1 64 TYR H . . 7.600 3.782 2.190 5.513 . 0 0 "[ . 1 . 2 . 3]" 1
954 1 52 LEU HG 1 53 ALA H . . 6.500 4.696 4.432 5.061 . 0 0 "[ . 1 . 2 . 3]" 1
955 1 53 ALA H 1 53 ALA MB . . 3.400 2.216 2.184 2.268 . 0 0 "[ . 1 . 2 . 3]" 1
956 1 53 ALA H 1 54 THR H . . 3.700 2.835 2.556 2.962 . 0 0 "[ . 1 . 2 . 3]" 1
957 1 53 ALA H 1 55 LEU H . . 6.000 4.569 4.378 4.722 . 0 0 "[ . 1 . 2 . 3]" 1
958 1 53 ALA HA 1 54 THR H . . 3.500 3.566 3.533 3.592 0.092 20 0 "[ . 1 . 2 . 3]" 1
959 1 53 ALA HA 1 56 LYS H . . 4.200 4.036 3.801 4.211 0.011 27 0 "[ . 1 . 2 . 3]" 1
960 1 53 ALA HA 1 56 LYS HB2 . . 3.400 2.743 2.573 2.852 . 0 0 "[ . 1 . 2 . 3]" 1
961 1 53 ALA HA 1 56 LYS HB3 . . 4.000 3.789 3.284 4.101 0.101 17 0 "[ . 1 . 2 . 3]" 1
962 1 53 ALA HA 1 56 LYS HG3 . . 4.500 4.221 3.429 4.561 0.061 1 0 "[ . 1 . 2 . 3]" 1
963 1 53 ALA MB 1 54 THR H . . 3.400 2.615 2.372 2.782 . 0 0 "[ . 1 . 2 . 3]" 1
964 1 53 ALA MB 1 54 THR HA . . 5.300 3.968 3.815 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
965 1 53 ALA MB 1 55 LEU H . . 6.400 4.865 4.666 5.031 . 0 0 "[ . 1 . 2 . 3]" 1
966 1 54 THR H 1 54 THR HB . . 2.800 2.442 2.169 2.531 . 0 0 "[ . 1 . 2 . 3]" 1
967 1 54 THR H 1 54 THR MG . . 4.500 3.691 3.114 3.764 . 0 0 "[ . 1 . 2 . 3]" 1
968 1 54 THR H 1 55 LEU H . . 3.200 2.833 2.655 3.016 . 0 0 "[ . 1 . 2 . 3]" 1
969 1 54 THR HA 1 54 THR MG . . 3.500 2.484 2.341 3.053 . 0 0 "[ . 1 . 2 . 3]" 1
970 1 54 THR HA 1 57 LYS QD . . 6.100 3.685 2.346 4.373 . 0 0 "[ . 1 . 2 . 3]" 1
971 1 54 THR HA 1 57 LYS QE . . 7.000 2.505 1.960 4.952 . 0 0 "[ . 1 . 2 . 3]" 1
972 1 54 THR HA 1 57 LYS HG2 . . 5.400 5.077 4.129 5.452 0.052 20 0 "[ . 1 . 2 . 3]" 1
973 1 54 THR HA 1 57 LYS HG3 . . 4.800 3.536 2.691 4.218 . 0 0 "[ . 1 . 2 . 3]" 1
974 1 54 THR HB 1 55 LEU H . . 3.400 2.485 2.193 3.475 0.075 23 0 "[ . 1 . 2 . 3]" 1
975 1 54 THR MG 1 55 LEU H . . 5.000 2.968 2.023 3.170 . 0 0 "[ . 1 . 2 . 3]" 1
976 1 54 THR MG 1 55 LEU MD1 . . 7.500 5.125 4.404 5.245 . 0 0 "[ . 1 . 2 . 3]" 1
977 1 54 THR MG 1 55 LEU QD . . 7.080 4.154 2.547 4.406 . 0 0 "[ . 1 . 2 . 3]" 1
978 1 54 THR MG 1 55 LEU MD2 . . 7.500 4.413 2.562 4.759 . 0 0 "[ . 1 . 2 . 3]" 1
979 1 54 THR MG 1 57 LYS QE . . 7.500 3.574 2.507 5.215 . 0 0 "[ . 1 . 2 . 3]" 1
980 1 55 LEU H 1 55 LEU HB2 . . 3.800 3.570 3.510 3.648 . 0 0 "[ . 1 . 2 . 3]" 1
981 1 55 LEU H 1 55 LEU HB3 . . 3.600 2.502 2.356 2.771 . 0 0 "[ . 1 . 2 . 3]" 1
982 1 55 LEU H 1 55 LEU MD1 . . 4.300 3.547 3.276 3.668 . 0 0 "[ . 1 . 2 . 3]" 1
983 1 55 LEU H 1 55 LEU MD2 . . 4.300 3.196 2.663 3.499 . 0 0 "[ . 1 . 2 . 3]" 1
984 1 55 LEU H 1 55 LEU HG . . 2.800 2.175 1.996 2.309 . 0 0 "[ . 1 . 2 . 3]" 1
985 1 55 LEU H 1 56 LYS H . . 4.900 2.669 2.555 2.814 . 0 0 "[ . 1 . 2 . 3]" 1
986 1 55 LEU HA 1 55 LEU HG . . 3.700 3.693 3.583 3.745 0.045 13 0 "[ . 1 . 2 . 3]" 1
987 1 55 LEU HA 1 56 LYS HA . . 6.200 5.001 4.843 5.170 . 0 0 "[ . 1 . 2 . 3]" 1
988 1 55 LEU HA 1 62 VAL QG . . 9.160 4.550 4.062 5.050 . 0 0 "[ . 1 . 2 . 3]" 1
989 1 55 LEU HB2 1 55 LEU HG . . 3.000 3.003 2.952 3.026 0.026 1 0 "[ . 1 . 2 . 3]" 1
990 1 55 LEU HB2 1 56 LYS H . . 3.800 3.906 3.844 3.934 0.134 26 0 "[ . 1 . 2 . 3]" 1
991 1 55 LEU HB3 1 55 LEU MD1 . . 3.600 3.076 3.021 3.110 . 0 0 "[ . 1 . 2 . 3]" 1
992 1 55 LEU HB3 1 55 LEU QD . . 3.130 2.118 2.007 2.157 . 0 0 "[ . 1 . 2 . 3]" 1
993 1 55 LEU HB3 1 55 LEU MD2 . . 3.600 2.158 2.038 2.200 . 0 0 "[ . 1 . 2 . 3]" 1
994 1 55 LEU HB3 1 56 LYS H . . 5.500 4.022 3.843 4.203 . 0 0 "[ . 1 . 2 . 3]" 1
995 1 55 LEU HB3 1 56 LYS HA . . 5.900 5.937 5.856 5.974 0.074 10 0 "[ . 1 . 2 . 3]" 1
996 1 55 LEU QD 1 58 THR MG . . 10.170 4.006 3.719 4.324 . 0 0 "[ . 1 . 2 . 3]" 1
997 1 55 LEU QD 1 62 VAL QG . . 8.530 1.818 1.677 2.099 . 0 0 "[ . 1 . 2 . 3]" 1
998 1 55 LEU MD1 1 56 LYS H . . 7.600 2.448 2.045 2.732 . 0 0 "[ . 1 . 2 . 3]" 1
999 1 55 LEU MD1 1 62 VAL MG1 . . 10.540 2.161 1.896 2.791 . 0 0 "[ . 1 . 2 . 3]" 1
1000 1 55 LEU MD1 1 62 VAL MG2 . . 10.540 2.010 1.918 2.353 . 0 0 "[ . 1 . 2 . 3]" 1
1001 1 55 LEU MD2 1 56 LYS H . . 7.600 4.137 3.874 4.424 . 0 0 "[ . 1 . 2 . 3]" 1
1002 1 55 LEU MD2 1 62 VAL MG1 . . 10.540 4.071 3.534 4.906 . 0 0 "[ . 1 . 2 . 3]" 1
1003 1 55 LEU MD2 1 62 VAL MG2 . . 10.540 3.102 2.340 4.283 . 0 0 "[ . 1 . 2 . 3]" 1
1004 1 55 LEU HG 1 56 LYS H . . 6.600 2.530 2.119 3.045 . 0 0 "[ . 1 . 2 . 3]" 1
1005 1 56 LYS H 1 56 LYS HB2 . . 3.700 2.271 2.132 2.456 . 0 0 "[ . 1 . 2 . 3]" 1
1006 1 56 LYS H 1 56 LYS HB3 . . 4.100 3.344 2.963 3.637 . 0 0 "[ . 1 . 2 . 3]" 1
1007 1 56 LYS H 1 56 LYS HG2 . . 4.500 4.157 3.619 4.518 0.018 13 0 "[ . 1 . 2 . 3]" 1
1008 1 56 LYS H 1 56 LYS HG3 . . 3.900 3.255 2.528 3.948 0.048 24 0 "[ . 1 . 2 . 3]" 1
1009 1 56 LYS H 1 57 LYS H . . 4.800 3.033 2.878 3.120 . 0 0 "[ . 1 . 2 . 3]" 1
1010 1 56 LYS HA 1 56 LYS QD . . 4.800 3.980 3.885 4.064 . 0 0 "[ . 1 . 2 . 3]" 1
1011 1 56 LYS HA 1 56 LYS HG2 . . 3.400 2.587 2.211 2.779 . 0 0 "[ . 1 . 2 . 3]" 1
1012 1 56 LYS HA 1 56 LYS HG3 . . 3.100 2.611 2.430 2.979 . 0 0 "[ . 1 . 2 . 3]" 1
1013 1 56 LYS HA 1 58 THR H . . 5.000 3.884 3.604 4.048 . 0 0 "[ . 1 . 2 . 3]" 1
1014 1 56 LYS HA 1 58 THR HG1 . . 6.600 3.967 3.458 4.613 . 0 0 "[ . 1 . 2 . 3]" 1
1015 1 56 LYS HA 1 59 GLY H . . 5.500 3.885 3.698 4.115 . 0 0 "[ . 1 . 2 . 3]" 1
1016 1 56 LYS HA 1 62 VAL MG1 . . 6.800 3.124 2.565 4.483 . 0 0 "[ . 1 . 2 . 3]" 1
1017 1 56 LYS HA 1 62 VAL QG . . 5.940 3.013 2.185 3.589 . 0 0 "[ . 1 . 2 . 3]" 1
1018 1 56 LYS HA 1 62 VAL MG2 . . 6.800 4.719 2.190 5.511 . 0 0 "[ . 1 . 2 . 3]" 1
1019 1 56 LYS HB2 1 57 LYS H . . 5.000 3.175 2.540 3.757 . 0 0 "[ . 1 . 2 . 3]" 1
1020 1 56 LYS HB3 1 57 LYS H . . 3.800 3.014 2.554 3.466 . 0 0 "[ . 1 . 2 . 3]" 1
1021 1 56 LYS HB3 1 62 VAL QG . . 8.460 5.208 4.469 5.725 . 0 0 "[ . 1 . 2 . 3]" 1
1022 1 56 LYS QD 1 57 LYS H . . 7.600 4.697 4.502 4.929 . 0 0 "[ . 1 . 2 . 3]" 1
1023 1 56 LYS QD 1 57 LYS HB2 . . 7.300 6.545 6.505 6.611 . 0 0 "[ . 1 . 2 . 3]" 1
1024 1 56 LYS HG2 1 62 VAL QG . . 6.960 4.398 2.730 5.165 . 0 0 "[ . 1 . 2 . 3]" 1
1025 1 56 LYS HG3 1 57 LYS H . . 6.600 4.920 4.684 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
1026 1 57 LYS H 1 57 LYS HB2 . . 3.800 2.363 2.068 2.477 . 0 0 "[ . 1 . 2 . 3]" 1
1027 1 57 LYS H 1 57 LYS HB3 . . 4.200 3.551 3.469 3.585 . 0 0 "[ . 1 . 2 . 3]" 1
1028 1 57 LYS H 1 57 LYS QD . . 5.800 3.942 3.489 4.451 . 0 0 "[ . 1 . 2 . 3]" 1
1029 1 57 LYS H 1 57 LYS HG2 . . 3.900 3.361 2.975 3.832 . 0 0 "[ . 1 . 2 . 3]" 1
1030 1 57 LYS H 1 57 LYS HG3 . . 3.100 2.178 1.971 2.751 . 0 0 "[ . 1 . 2 . 3]" 1
1031 1 57 LYS H 1 58 THR H . . 4.600 2.900 2.787 3.039 . 0 0 "[ . 1 . 2 . 3]" 1
1032 1 57 LYS H 1 58 THR MG . . 7.600 4.307 4.093 4.501 . 0 0 "[ . 1 . 2 . 3]" 1
1033 1 57 LYS HA 1 57 LYS QD . . 4.800 3.951 3.810 4.166 . 0 0 "[ . 1 . 2 . 3]" 1
1034 1 57 LYS HA 1 57 LYS HG2 . . 2.400 2.410 2.316 2.485 0.085 19 0 "[ . 1 . 2 . 3]" 1
1035 1 57 LYS HA 1 57 LYS HG3 . . 3.200 2.987 2.634 3.214 0.014 27 0 "[ . 1 . 2 . 3]" 1
1036 1 57 LYS HA 1 59 GLY H . . 5.600 3.620 3.282 4.049 . 0 0 "[ . 1 . 2 . 3]" 1
1037 1 57 LYS HB2 1 57 LYS QE . . 4.700 3.078 2.107 4.005 . 0 0 "[ . 1 . 2 . 3]" 1
1038 1 57 LYS HB2 1 57 LYS HG3 . . 2.400 2.435 2.360 2.489 0.089 18 0 "[ . 1 . 2 . 3]" 1
1039 1 57 LYS HB2 1 58 THR H . . 4.200 3.326 2.912 3.613 . 0 0 "[ . 1 . 2 . 3]" 1
1040 1 57 LYS HB3 1 57 LYS QE . . 4.900 3.517 2.233 4.260 . 0 0 "[ . 1 . 2 . 3]" 1
1041 1 57 LYS HB3 1 57 LYS HG2 . . 2.700 2.508 2.429 2.613 . 0 0 "[ . 1 . 2 . 3]" 1
1042 1 57 LYS HB3 1 58 THR H . . 4.200 4.112 3.809 4.229 0.029 13 0 "[ . 1 . 2 . 3]" 1
1043 1 58 THR H 1 58 THR HB . . 3.800 3.608 3.560 3.639 . 0 0 "[ . 1 . 2 . 3]" 1
1044 1 58 THR H 1 58 THR HG1 . . 3.200 2.425 2.033 3.211 0.011 22 0 "[ . 1 . 2 . 3]" 1
1045 1 58 THR H 1 58 THR MG . . 3.400 2.223 2.155 2.293 . 0 0 "[ . 1 . 2 . 3]" 1
1046 1 58 THR H 1 59 GLY H . . 4.300 2.627 2.548 2.748 . 0 0 "[ . 1 . 2 . 3]" 1
1047 1 58 THR H 1 59 GLY QA . . 5.580 4.478 4.410 4.577 . 0 0 "[ . 1 . 2 . 3]" 1
1048 1 58 THR HA 1 58 THR MG . . 3.400 2.326 2.263 2.387 . 0 0 "[ . 1 . 2 . 3]" 1
1049 1 58 THR HB 1 59 GLY H . . 5.400 3.914 3.640 4.091 . 0 0 "[ . 1 . 2 . 3]" 1
1050 1 58 THR HB 1 60 LYS H . . 4.200 3.838 3.046 4.223 0.023 27 0 "[ . 1 . 2 . 3]" 1
1051 1 58 THR HB 1 60 LYS HB2 . . 5.000 3.559 3.011 4.493 . 0 0 "[ . 1 . 2 . 3]" 1
1052 1 58 THR HB 1 60 LYS HG2 . . 6.600 3.010 2.231 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
1053 1 58 THR HB 1 60 LYS HG3 . . 6.600 3.631 2.403 4.998 . 0 0 "[ . 1 . 2 . 3]" 1
1054 1 58 THR HG1 1 59 GLY H . . 5.100 2.844 2.376 3.785 . 0 0 "[ . 1 . 2 . 3]" 1
1055 1 58 THR HG1 1 59 GLY QA . . 7.480 4.292 3.592 4.974 . 0 0 "[ . 1 . 2 . 3]" 1
1056 1 58 THR HG1 1 60 LYS HD2 . . 6.200 5.654 4.807 6.102 . 0 0 "[ . 1 . 2 . 3]" 1
1057 1 58 THR HG1 1 60 LYS QD . . 5.790 4.804 3.584 5.224 . 0 0 "[ . 1 . 2 . 3]" 1
1058 1 58 THR HG1 1 60 LYS HD3 . . 6.200 5.402 3.646 6.274 0.074 2 0 "[ . 1 . 2 . 3]" 1
1059 1 58 THR HG1 1 62 VAL QG . . 9.160 2.815 2.332 3.498 . 0 0 "[ . 1 . 2 . 3]" 1
1060 1 58 THR MG 1 59 GLY H . . 6.700 4.054 3.945 4.149 . 0 0 "[ . 1 . 2 . 3]" 1
1061 1 58 THR MG 1 59 GLY QA . . 6.880 5.152 5.125 5.174 . 0 0 "[ . 1 . 2 . 3]" 1
1062 1 58 THR MG 1 60 LYS H . . 7.600 4.677 4.182 5.128 . 0 0 "[ . 1 . 2 . 3]" 1
1063 1 59 GLY H 1 60 LYS H . . 3.300 2.727 2.369 2.972 . 0 0 "[ . 1 . 2 . 3]" 1
1064 1 59 GLY H 1 60 LYS HB2 . . 5.600 4.765 4.336 5.396 . 0 0 "[ . 1 . 2 . 3]" 1
1065 1 60 LYS H 1 60 LYS HB2 . . 3.800 2.527 2.214 2.781 . 0 0 "[ . 1 . 2 . 3]" 1
1066 1 60 LYS H 1 60 LYS HD2 . . 6.300 4.190 2.946 5.414 . 0 0 "[ . 1 . 2 . 3]" 1
1067 1 60 LYS H 1 60 LYS QD . . 5.990 3.590 2.408 4.608 . 0 0 "[ . 1 . 2 . 3]" 1
1068 1 60 LYS H 1 60 LYS HD3 . . 6.300 4.205 2.484 5.638 . 0 0 "[ . 1 . 2 . 3]" 1
1069 1 60 LYS H 1 60 LYS HG2 . . 4.000 3.351 2.620 4.068 0.068 6 0 "[ . 1 . 2 . 3]" 1
1070 1 60 LYS H 1 60 LYS HG3 . . 4.200 4.160 3.056 4.311 0.111 20 0 "[ . 1 . 2 . 3]" 1
1071 1 60 LYS H 1 61 THR H . . 6.600 4.487 4.365 4.638 . 0 0 "[ . 1 . 2 . 3]" 1
1072 1 60 LYS H 1 61 THR HA . . 5.700 5.214 4.843 5.584 . 0 0 "[ . 1 . 2 . 3]" 1
1073 1 60 LYS HA 1 60 LYS HD2 . . 4.300 2.853 2.109 4.388 0.088 2 0 "[ . 1 . 2 . 3]" 1
1074 1 60 LYS HA 1 60 LYS QD . . 3.870 2.413 2.095 3.552 . 0 0 "[ . 1 . 2 . 3]" 1
1075 1 60 LYS HA 1 60 LYS HD3 . . 4.300 3.270 2.132 4.182 . 0 0 "[ . 1 . 2 . 3]" 1
1076 1 60 LYS HA 1 60 LYS HG2 . . 4.200 3.253 2.151 3.716 . 0 0 "[ . 1 . 2 . 3]" 1
1077 1 60 LYS HA 1 60 LYS HG3 . . 4.100 3.436 2.532 3.953 . 0 0 "[ . 1 . 2 . 3]" 1
1078 1 60 LYS HA 1 61 THR H . . 2.900 2.438 2.205 2.612 . 0 0 "[ . 1 . 2 . 3]" 1
1079 1 60 LYS HA 1 62 VAL QG . . 9.160 4.438 4.144 4.685 . 0 0 "[ . 1 . 2 . 3]" 1
1080 1 60 LYS HB2 1 61 THR H . . 4.100 3.683 3.186 4.103 0.003 20 0 "[ . 1 . 2 . 3]" 1
1081 1 60 LYS HB3 1 60 LYS QE . . 4.880 3.484 2.027 4.361 . 0 0 "[ . 1 . 2 . 3]" 1
1082 1 60 LYS HB3 1 61 THR H . . 3.600 2.506 2.167 2.908 . 0 0 "[ . 1 . 2 . 3]" 1
1083 1 60 LYS HB3 1 61 THR HA . . 5.000 4.747 4.429 4.941 . 0 0 "[ . 1 . 2 . 3]" 1
1084 1 60 LYS HB3 1 61 THR HB . . 6.100 4.566 4.084 5.130 . 0 0 "[ . 1 . 2 . 3]" 1
1085 1 60 LYS HB3 1 62 VAL H . . 4.000 3.972 3.610 4.062 0.062 27 0 "[ . 1 . 2 . 3]" 1
1086 1 60 LYS HB3 1 62 VAL MG1 . . 7.600 3.783 3.126 4.245 . 0 0 "[ . 1 . 2 . 3]" 1
1087 1 60 LYS HB3 1 62 VAL MG2 . . 7.600 5.575 3.920 6.107 . 0 0 "[ . 1 . 2 . 3]" 1
1088 1 60 LYS QE 1 60 LYS HG3 . . 3.450 2.649 2.436 3.087 . 0 0 "[ . 1 . 2 . 3]" 1
1089 1 60 LYS HE2 1 60 LYS HG3 . . 3.800 3.058 2.597 3.806 0.006 16 0 "[ . 1 . 2 . 3]" 1
1090 1 60 LYS HE3 1 60 LYS HG3 . . 3.800 3.202 2.474 3.841 0.041 5 0 "[ . 1 . 2 . 3]" 1
1091 1 60 LYS HG2 1 61 THR H . . 6.600 4.789 4.033 5.177 . 0 0 "[ . 1 . 2 . 3]" 1
1092 1 61 THR H 1 61 THR HB . . 3.300 2.751 2.437 3.293 . 0 0 "[ . 1 . 2 . 3]" 1
1093 1 61 THR H 1 61 THR MG . . 4.200 3.414 2.565 3.588 . 0 0 "[ . 1 . 2 . 3]" 1
1094 1 61 THR H 1 62 VAL H . . 5.800 3.554 3.367 3.982 . 0 0 "[ . 1 . 2 . 3]" 1
1095 1 61 THR HA 1 61 THR MG . . 3.400 2.263 2.186 2.311 . 0 0 "[ . 1 . 2 . 3]" 1
1096 1 61 THR HA 1 62 VAL H . . 3.500 2.658 2.308 2.969 . 0 0 "[ . 1 . 2 . 3]" 1
1097 1 61 THR HA 1 62 VAL HA . . 6.600 4.589 4.392 4.741 . 0 0 "[ . 1 . 2 . 3]" 1
1098 1 61 THR HA 1 62 VAL QG . . 8.960 4.146 3.894 4.381 . 0 0 "[ . 1 . 2 . 3]" 1
1099 1 61 THR HB 1 62 VAL H . . 4.200 4.259 4.207 4.313 0.113 25 0 "[ . 1 . 2 . 3]" 1
1100 1 61 THR HB 1 62 VAL QG . . 6.960 5.139 4.682 5.230 . 0 0 "[ . 1 . 2 . 3]" 1
1101 1 61 THR MG 1 62 VAL H . . 5.800 4.232 3.990 4.460 . 0 0 "[ . 1 . 2 . 3]" 1
1102 1 61 THR MG 1 62 VAL HA . . 7.600 4.833 4.319 5.618 . 0 0 "[ . 1 . 2 . 3]" 1
1103 1 62 VAL H 1 62 VAL HB . . 3.500 3.065 2.819 3.548 0.048 13 0 "[ . 1 . 2 . 3]" 1
1104 1 62 VAL H 1 62 VAL QG . . 4.150 2.016 1.904 2.290 . 0 0 "[ . 1 . 2 . 3]" 1
1105 1 62 VAL H 1 63 SER H . . 5.200 4.313 3.963 4.634 . 0 0 "[ . 1 . 2 . 3]" 1
1106 1 62 VAL HA 1 63 SER H . . 2.600 2.212 2.111 2.318 . 0 0 "[ . 1 . 2 . 3]" 1
1107 1 62 VAL HB 1 63 SER H . . 5.100 4.201 3.929 4.517 . 0 0 "[ . 1 . 2 . 3]" 1
1108 1 62 VAL QG 1 63 SER H . . 4.850 2.836 2.209 3.647 . 0 0 "[ . 1 . 2 . 3]" 1
1109 1 62 VAL MG1 1 63 SER H . . 5.700 4.238 3.890 4.463 . 0 0 "[ . 1 . 2 . 3]" 1
1110 1 62 VAL MG2 1 63 SER H . . 5.700 2.920 2.218 4.409 . 0 0 "[ . 1 . 2 . 3]" 1
1111 1 63 SER HA 1 64 TYR H . . 3.500 2.391 2.217 2.556 . 0 0 "[ . 1 . 2 . 3]" 1
1112 1 63 SER QB 1 65 LEU MD1 . . 7.160 2.758 2.118 4.177 . 0 0 "[ . 1 . 2 . 3]" 1
1113 1 63 SER HB2 1 64 TYR H . . 4.900 3.748 2.610 4.215 . 0 0 "[ . 1 . 2 . 3]" 1
1114 1 63 SER HB2 1 65 LEU MD1 . . 7.600 3.451 2.323 5.592 . 0 0 "[ . 1 . 2 . 3]" 1
1115 1 63 SER HB3 1 64 TYR H . . 4.900 3.080 2.349 3.819 . 0 0 "[ . 1 . 2 . 3]" 1
1116 1 63 SER HB3 1 65 LEU MD1 . . 7.600 3.157 2.156 4.757 . 0 0 "[ . 1 . 2 . 3]" 1
1117 1 64 TYR HA 1 65 LEU H . . 3.400 2.229 2.181 2.307 . 0 0 "[ . 1 . 2 . 3]" 1
1118 1 64 TYR HA 1 66 GLY H . . 5.800 4.878 4.696 5.027 . 0 0 "[ . 1 . 2 . 3]" 1
1119 1 64 TYR QD 1 65 LEU H . . 7.900 3.178 2.699 3.737 . 0 0 "[ . 1 . 2 . 3]" 1
1120 1 64 TYR QD 1 66 GLY H . . 8.600 3.769 2.742 4.192 . 0 0 "[ . 1 . 2 . 3]" 1
1121 1 64 TYR QE 1 65 LEU H . . 8.600 4.177 3.452 4.978 . 0 0 "[ . 1 . 2 . 3]" 1
1122 1 64 TYR QE 1 65 LEU MD2 . . 9.600 5.540 4.796 6.251 . 0 0 "[ . 1 . 2 . 3]" 1
1123 1 64 TYR QE 1 66 GLY H . . 7.300 2.993 2.158 4.114 . 0 0 "[ . 1 . 2 . 3]" 1
1124 1 64 TYR QE 1 66 GLY HA2 . . 8.000 4.552 3.848 5.846 . 0 0 "[ . 1 . 2 . 3]" 1
1125 1 64 TYR QE 1 66 GLY HA3 . . 8.600 4.841 4.036 5.738 . 0 0 "[ . 1 . 2 . 3]" 1
1126 1 64 TYR QE 1 67 LEU H . . 8.600 4.959 4.103 5.771 . 0 0 "[ . 1 . 2 . 3]" 1
1127 1 65 LEU H 1 65 LEU MD2 . . 4.300 2.478 2.065 3.711 . 0 0 "[ . 1 . 2 . 3]" 1
1128 1 65 LEU H 1 65 LEU HG . . 4.200 4.236 3.972 4.281 0.081 28 0 "[ . 1 . 2 . 3]" 1
1129 1 65 LEU H 1 66 GLY H . . 3.200 3.209 3.143 3.253 0.053 24 0 "[ . 1 . 2 . 3]" 1
1130 1 65 LEU HA 1 65 LEU MD1 . . 4.100 3.435 3.381 3.475 . 0 0 "[ . 1 . 2 . 3]" 1
1131 1 65 LEU HA 1 65 LEU MD2 . . 4.700 3.706 3.615 3.920 . 0 0 "[ . 1 . 2 . 3]" 1
1132 1 65 LEU HA 1 65 LEU HG . . 4.100 4.168 4.141 4.184 0.084 24 0 "[ . 1 . 2 . 3]" 1
1133 1 65 LEU QB 1 66 GLY H . . 4.800 3.908 3.851 3.993 . 0 0 "[ . 1 . 2 . 3]" 1
1134 1 65 LEU MD2 1 66 GLY H . . 7.600 4.346 4.186 4.764 . 0 0 "[ . 1 . 2 . 3]" 1
1135 1 65 LEU HG 1 66 GLY H . . 6.600 5.994 5.953 6.030 . 0 0 "[ . 1 . 2 . 3]" 1
1136 1 66 GLY H 1 67 LEU H . . 6.600 4.131 3.495 4.473 . 0 0 "[ . 1 . 2 . 3]" 1
1137 1 66 GLY HA2 1 67 LEU H . . 3.600 2.359 2.177 2.619 . 0 0 "[ . 1 . 2 . 3]" 1
1138 1 66 GLY HA3 1 67 LEU H . . 3.500 2.960 2.502 3.381 . 0 0 "[ . 1 . 2 . 3]" 1
1139 1 67 LEU H 1 67 LEU HG . . 3.700 3.682 2.962 3.850 0.150 14 0 "[ . 1 . 2 . 3]" 1
1140 1 67 LEU HA 1 67 LEU HG . . 3.900 3.530 2.187 3.815 . 0 0 "[ . 1 . 2 . 3]" 1
1141 1 67 LEU QB 1 68 GLU H . . 4.800 3.279 2.326 3.980 . 0 0 "[ . 1 . 2 . 3]" 1
1142 1 67 LEU QD 1 68 GLU H . . 6.640 3.288 2.158 4.494 . 0 0 "[ . 1 . 2 . 3]" 1
1143 1 67 LEU QD 1 68 GLU HA . . 8.170 4.127 3.080 5.525 . 0 0 "[ . 1 . 2 . 3]" 1
1144 1 67 LEU MD1 1 68 GLU H . . 7.400 3.566 2.162 5.150 . 0 0 "[ . 1 . 2 . 3]" 1
1145 1 67 LEU MD2 1 68 GLU H . . 7.400 4.680 4.036 4.957 . 0 0 "[ . 1 . 2 . 3]" 1
1146 1 67 LEU HG 1 68 GLU H . . 4.300 3.818 3.428 4.405 0.105 24 0 "[ . 1 . 2 . 3]" 1
1147 1 68 GLU H 1 68 GLU HB2 . . 3.200 2.985 2.171 3.375 0.175 15 0 "[ . 1 . 2 . 3]" 1
1148 1 68 GLU H 1 68 GLU HB3 . . 3.200 2.990 2.552 3.419 0.219 19 0 "[ . 1 . 2 . 3]" 1
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