NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
408512 |
1yxr   |
6573 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_1yxr
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 1369
_Distance_constraint_stats_list.Viol_count 52
_Distance_constraint_stats_list.Viol_total 2.335
_Distance_constraint_stats_list.Viol_max 0.013
_Distance_constraint_stats_list.Viol_rms 0.0001
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0000
_Distance_constraint_stats_list.Viol_average_violations_only 0.0022
_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 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 4 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 5 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 6 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 10 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 11 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 12 LEU 0.000 0.000 4 0 "[ . 1 . 2]"
1 13 VAL 0.001 0.001 20 0 "[ . 1 . 2]"
1 14 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 18 GLU 0.001 0.001 10 0 "[ . 1 . 2]"
1 19 GLU 0.001 0.001 10 0 "[ . 1 . 2]"
1 20 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 ASN 0.000 0.000 18 0 "[ . 1 . 2]"
1 25 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 GLU 0.002 0.001 5 0 "[ . 1 . 2]"
1 27 GLU 0.000 0.000 18 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 29 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 32 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 33 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 34 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 35 ALA 0.001 0.001 20 0 "[ . 1 . 2]"
1 36 VAL 0.001 0.001 20 0 "[ . 1 . 2]"
1 37 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 TYR 0.000 0.000 4 0 "[ . 1 . 2]"
1 39 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 LEU 0.033 0.013 20 0 "[ . 1 . 2]"
1 41 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 43 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 44 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 46 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ALA 0.048 0.007 8 0 "[ . 1 . 2]"
1 48 HIS 0.008 0.005 9 0 "[ . 1 . 2]"
1 49 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 50 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 52 ALA 0.008 0.005 9 0 "[ . 1 . 2]"
1 53 LYS 0.048 0.007 8 0 "[ . 1 . 2]"
1 54 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 ILE 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 58 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 CYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 61 VAL 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 64 LEU 0.001 0.001 20 0 "[ . 1 . 2]"
1 65 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 69 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 70 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 71 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 72 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 TYR 0.022 0.003 17 0 "[ . 1 . 2]"
1 74 LEU 0.024 0.003 17 0 "[ . 1 . 2]"
1 75 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 76 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 77 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 THR H 1 2 THR MG 4.200 . 5.500 3.006 1.970 4.048 . 0 0 "[ . 1 . 2]" 1
2 1 2 THR HA 1 2 THR MG 3.500 . 4.200 2.452 2.230 3.226 . 0 0 "[ . 1 . 2]" 1
3 1 2 THR HA 1 3 THR H 3.100 . 3.700 2.211 2.140 2.454 . 0 0 "[ . 1 . 2]" 1
4 1 2 THR MG 1 3 THR H 4.200 . 5.500 3.519 2.445 4.149 . 0 0 "[ . 1 . 2]" 1
5 1 3 THR H 1 3 THR MG 4.500 . 5.800 3.070 2.018 3.949 . 0 0 "[ . 1 . 2]" 1
6 1 3 THR H 1 4 SER H 4.700 . 6.600 4.442 4.108 4.621 . 0 0 "[ . 1 . 2]" 1
7 1 3 THR HA 1 3 THR MG 3.300 . 4.000 2.386 2.231 3.217 . 0 0 "[ . 1 . 2]" 1
8 1 3 THR HA 1 4 SER H 3.100 . 3.700 2.221 2.140 2.451 . 0 0 "[ . 1 . 2]" 1
9 1 3 THR HB 1 4 SER H 4.100 . 5.300 3.557 2.484 4.406 . 0 0 "[ . 1 . 2]" 1
10 1 3 THR MG 1 4 SER H 4.000 . 5.200 3.360 1.912 4.182 . 0 0 "[ . 1 . 2]" 1
11 1 3 THR MG 1 7 GLN QB 4.000 . 5.200 3.502 2.412 4.591 . 0 0 "[ . 1 . 2]" 1
12 1 3 THR MG 1 7 GLN QG 4.000 . 5.200 4.105 3.376 5.024 . 0 0 "[ . 1 . 2]" 1
13 1 4 SER H 1 4 SER QB 3.500 . 4.400 2.333 2.090 2.968 . 0 0 "[ . 1 . 2]" 1
14 1 4 SER H 1 5 THR H 4.500 . 6.300 4.496 4.388 4.634 . 0 0 "[ . 1 . 2]" 1
15 1 4 SER H 1 7 GLN H 5.000 . 7.500 3.872 3.377 4.945 . 0 0 "[ . 1 . 2]" 1
16 1 4 SER H 1 7 GLN QB 4.300 . 5.600 2.633 2.085 3.662 . 0 0 "[ . 1 . 2]" 1
17 1 4 SER HA 1 5 THR H 3.600 . 4.500 2.552 2.211 2.640 . 0 0 "[ . 1 . 2]" 1
18 1 4 SER HA 1 7 GLN H 5.200 . 7.800 4.788 4.547 4.923 . 0 0 "[ . 1 . 2]" 1
19 1 4 SER QB 1 5 THR H 3.800 . 4.700 2.390 1.985 3.206 . 0 0 "[ . 1 . 2]" 1
20 1 4 SER QB 1 7 GLN H 4.500 . 5.800 2.688 2.193 3.631 . 0 0 "[ . 1 . 2]" 1
21 1 4 SER HB2 1 5 THR H 4.400 . 5.700 3.580 2.028 4.215 . 0 0 "[ . 1 . 2]" 1
22 1 4 SER HB3 1 5 THR H 4.400 . 5.700 2.580 1.998 3.640 . 0 0 "[ . 1 . 2]" 1
23 1 5 THR H 1 5 THR MG 4.200 . 5.500 3.741 3.669 3.769 . 0 0 "[ . 1 . 2]" 1
24 1 5 THR H 1 6 LEU H 4.000 . 5.000 2.474 2.426 2.574 . 0 0 "[ . 1 . 2]" 1
25 1 5 THR H 1 8 LYS H 5.000 . 7.500 4.764 4.653 4.885 . 0 0 "[ . 1 . 2]" 1
26 1 5 THR HA 1 8 LYS H 4.100 . 5.300 3.548 3.357 3.651 . 0 0 "[ . 1 . 2]" 1
27 1 5 THR HA 1 8 LYS QB 4.100 . 5.300 2.664 2.296 2.910 . 0 0 "[ . 1 . 2]" 1
28 1 5 THR HA 1 9 ALA H 5.100 . 7.700 4.358 4.028 4.674 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR HA 1 38 TYR QE 4.600 . 6.500 4.151 3.524 5.366 . 0 0 "[ . 1 . 2]" 1
30 1 5 THR HB 1 6 LEU H 3.800 . 4.700 2.784 2.609 2.934 . 0 0 "[ . 1 . 2]" 1
31 1 5 THR HB 1 42 ALA MB 3.500 . 4.400 2.593 2.117 3.074 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR MG 1 6 LEU H 4.400 . 5.700 3.893 3.671 4.137 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR MG 1 9 ALA H 4.900 . 6.800 4.456 4.208 4.853 . 0 0 "[ . 1 . 2]" 1
34 1 5 THR MG 1 9 ALA MB 4.200 . 5.500 3.759 3.372 4.140 . 0 0 "[ . 1 . 2]" 1
35 1 5 THR MG 1 38 TYR H 4.900 . 6.900 5.140 4.592 5.758 . 0 0 "[ . 1 . 2]" 1
36 1 5 THR MG 1 38 TYR HA 3.700 . 4.600 3.126 2.552 3.791 . 0 0 "[ . 1 . 2]" 1
37 1 5 THR MG 1 38 TYR HB2 4.000 . 5.200 4.194 3.565 4.909 . 0 0 "[ . 1 . 2]" 1
38 1 5 THR MG 1 38 TYR HB3 4.300 . 5.600 2.735 2.050 3.524 . 0 0 "[ . 1 . 2]" 1
39 1 5 THR MG 1 38 TYR QD 3.400 . 4.100 2.189 1.936 2.514 . 0 0 "[ . 1 . 2]" 1
40 1 5 THR MG 1 38 TYR QE 4.500 . 6.300 3.727 3.463 4.063 . 0 0 "[ . 1 . 2]" 1
41 1 5 THR MG 1 41 HIS H 4.700 . 6.600 4.464 3.943 4.758 . 0 0 "[ . 1 . 2]" 1
42 1 5 THR MG 1 41 HIS HB2 4.300 . 5.600 4.406 3.985 4.848 . 0 0 "[ . 1 . 2]" 1
43 1 5 THR MG 1 41 HIS QB 3.700 . 4.600 2.923 2.536 3.340 . 0 0 "[ . 1 . 2]" 1
44 1 5 THR MG 1 41 HIS HB3 4.300 . 5.600 2.968 2.565 3.404 . 0 0 "[ . 1 . 2]" 1
45 1 5 THR MG 1 41 HIS HD2 3.400 . 4.100 3.619 2.438 3.874 . 0 0 "[ . 1 . 2]" 1
46 1 5 THR MG 1 42 ALA H 4.000 . 5.200 3.112 2.762 3.342 . 0 0 "[ . 1 . 2]" 1
47 1 5 THR MG 1 42 ALA HA 4.200 . 5.500 2.783 2.354 3.380 . 0 0 "[ . 1 . 2]" 1
48 1 5 THR MG 1 42 ALA MB 3.700 . 4.600 2.141 1.922 2.676 . 0 0 "[ . 1 . 2]" 1
49 1 5 THR MG 1 43 ILE H 5.500 . 8.300 4.968 4.725 5.310 . 0 0 "[ . 1 . 2]" 1
50 1 6 LEU H 1 6 LEU HB2 3.700 . 4.600 2.156 2.068 2.225 . 0 0 "[ . 1 . 2]" 1
51 1 6 LEU H 1 6 LEU QB 3.200 . 3.800 2.130 2.047 2.171 . 0 0 "[ . 1 . 2]" 1
52 1 6 LEU H 1 6 LEU HB3 3.700 . 4.600 3.372 2.894 3.494 . 0 0 "[ . 1 . 2]" 1
53 1 6 LEU H 1 6 LEU MD1 4.500 . 5.800 3.914 3.238 4.165 . 0 0 "[ . 1 . 2]" 1
54 1 6 LEU H 1 6 LEU QD 3.900 . 4.900 2.611 2.175 3.504 . 0 0 "[ . 1 . 2]" 1
55 1 6 LEU H 1 6 LEU MD2 4.500 . 5.800 2.821 2.186 4.398 . 0 0 "[ . 1 . 2]" 1
56 1 6 LEU H 1 7 GLN H 3.800 . 4.700 2.554 2.478 2.679 . 0 0 "[ . 1 . 2]" 1
57 1 6 LEU H 1 8 LYS H 4.700 . 6.600 3.955 3.846 4.144 . 0 0 "[ . 1 . 2]" 1
58 1 6 LEU HA 1 6 LEU MD1 4.200 . 5.500 2.241 1.998 3.742 . 0 0 "[ . 1 . 2]" 1
59 1 6 LEU HA 1 6 LEU QD 3.400 . 4.100 2.046 1.870 2.618 . 0 0 "[ . 1 . 2]" 1
60 1 6 LEU HA 1 6 LEU MD2 4.200 . 5.500 2.526 2.104 3.790 . 0 0 "[ . 1 . 2]" 1
61 1 6 LEU HA 1 9 ALA H 4.200 . 5.500 3.512 3.419 3.720 . 0 0 "[ . 1 . 2]" 1
62 1 6 LEU HA 1 9 ALA MB 3.800 . 4.800 2.946 2.687 3.343 . 0 0 "[ . 1 . 2]" 1
63 1 6 LEU HA 1 10 ILE MD 4.800 . 6.700 4.098 3.637 4.670 . 0 0 "[ . 1 . 2]" 1
64 1 6 LEU HA 1 42 ALA MB 4.200 . 5.500 3.815 3.343 4.065 . 0 0 "[ . 1 . 2]" 1
65 1 6 LEU QB 1 7 GLN H 3.600 . 4.500 2.674 2.548 2.814 . 0 0 "[ . 1 . 2]" 1
66 1 6 LEU HB2 1 7 GLN H 4.200 . 5.500 2.957 2.700 3.612 . 0 0 "[ . 1 . 2]" 1
67 1 6 LEU HB3 1 7 GLN H 4.200 . 5.500 3.162 2.760 3.473 . 0 0 "[ . 1 . 2]" 1
68 1 6 LEU QD 1 7 GLN H 4.800 . 6.700 3.962 3.862 4.241 . 0 0 "[ . 1 . 2]" 1
69 1 6 LEU QD 1 9 ALA H 5.100 . 7.600 4.534 4.174 5.080 . 0 0 "[ . 1 . 2]" 1
70 1 6 LEU QD 1 9 ALA MB 4.000 . 5.200 3.314 2.968 3.875 . 0 0 "[ . 1 . 2]" 1
71 1 6 LEU QD 1 10 ILE H 4.900 . 6.900 4.810 4.106 5.283 . 0 0 "[ . 1 . 2]" 1
72 1 6 LEU QD 1 39 PHE HA 4.500 . 5.800 3.649 3.143 4.566 . 0 0 "[ . 1 . 2]" 1
73 1 6 LEU QD 1 39 PHE QD 3.300 . 4.000 2.884 2.488 3.327 . 0 0 "[ . 1 . 2]" 1
74 1 6 LEU QD 1 39 PHE QE 5.000 . 7.500 2.419 1.904 3.476 . 0 0 "[ . 1 . 2]" 1
75 1 6 LEU QD 1 42 ALA MB 3.000 . 3.600 2.167 1.843 3.361 . 0 0 "[ . 1 . 2]" 1
76 1 6 LEU QD 1 56 ILE MD 3.600 . 4.500 2.819 2.048 3.472 . 0 0 "[ . 1 . 2]" 1
77 1 6 LEU QD 1 56 ILE QG 3.900 . 4.900 2.800 2.271 3.407 . 0 0 "[ . 1 . 2]" 1
78 1 6 LEU MD1 1 39 PHE QD 4.700 . 6.600 3.070 2.536 5.416 . 0 0 "[ . 1 . 2]" 1
79 1 6 LEU MD1 1 42 ALA MB 3.700 . 4.600 3.230 2.086 4.104 . 0 0 "[ . 1 . 2]" 1
80 1 6 LEU MD2 1 39 PHE QD 4.700 . 6.600 4.048 3.357 4.839 . 0 0 "[ . 1 . 2]" 1
81 1 6 LEU MD2 1 42 ALA MB 3.700 . 4.600 2.514 1.851 4.320 . 0 0 "[ . 1 . 2]" 1
82 1 7 GLN H 1 7 GLN HB2 3.600 . 4.500 2.235 2.073 2.388 . 0 0 "[ . 1 . 2]" 1
83 1 7 GLN H 1 7 GLN QB 3.200 . 3.800 2.158 2.054 2.264 . 0 0 "[ . 1 . 2]" 1
84 1 7 GLN H 1 7 GLN HB3 3.600 . 4.500 2.938 2.667 3.549 . 0 0 "[ . 1 . 2]" 1
85 1 7 GLN H 1 7 GLN QE 5.300 . 8.000 5.083 4.717 5.618 . 0 0 "[ . 1 . 2]" 1
86 1 7 GLN H 1 7 GLN QG 4.300 . 5.600 3.813 2.580 4.062 . 0 0 "[ . 1 . 2]" 1
87 1 7 GLN H 1 8 LYS H 3.600 . 4.500 2.575 2.500 2.669 . 0 0 "[ . 1 . 2]" 1
88 1 7 GLN H 1 8 LYS QG 4.800 . 6.700 4.827 4.562 5.403 . 0 0 "[ . 1 . 2]" 1
89 1 7 GLN H 1 9 ALA H 5.500 . 8.300 4.144 3.955 4.382 . 0 0 "[ . 1 . 2]" 1
90 1 7 GLN H 1 10 ILE MD 5.200 . 7.800 3.839 3.545 4.137 . 0 0 "[ . 1 . 2]" 1
91 1 7 GLN HA 1 9 ALA H 5.400 . 8.100 4.325 4.135 4.514 . 0 0 "[ . 1 . 2]" 1
92 1 7 GLN HA 1 10 ILE H 4.000 . 5.200 3.521 3.371 3.646 . 0 0 "[ . 1 . 2]" 1
93 1 7 GLN HA 1 10 ILE HB 3.600 . 4.500 3.179 2.882 3.389 . 0 0 "[ . 1 . 2]" 1
94 1 7 GLN HA 1 10 ILE MD 3.800 . 4.700 2.027 1.869 2.322 . 0 0 "[ . 1 . 2]" 1
95 1 7 GLN HA 1 10 ILE MG 4.900 . 6.900 4.444 4.116 4.653 . 0 0 "[ . 1 . 2]" 1
96 1 7 GLN HA 1 11 ASP H 4.600 . 6.500 4.511 4.205 4.691 . 0 0 "[ . 1 . 2]" 1
97 1 7 GLN QB 1 8 LYS H 3.500 . 4.400 2.764 2.628 2.880 . 0 0 "[ . 1 . 2]" 1
98 1 7 GLN QE 1 10 ILE MG 3.700 . 4.600 3.919 3.636 4.268 . 0 0 "[ . 1 . 2]" 1
99 1 7 GLN QE 1 11 ASP H 4.800 . 6.700 5.003 3.936 5.907 . 0 0 "[ . 1 . 2]" 1
100 1 7 GLN HE21 1 10 ILE HB 4.800 . 6.700 3.650 3.032 5.028 . 0 0 "[ . 1 . 2]" 1
101 1 7 GLN HE21 1 10 ILE MG 4.300 . 5.600 4.164 3.797 5.269 . 0 0 "[ . 1 . 2]" 1
102 1 7 GLN HE22 1 10 ILE HB 4.800 . 6.700 4.824 3.739 5.726 . 0 0 "[ . 1 . 2]" 1
103 1 7 GLN HE22 1 10 ILE MG 4.300 . 5.600 4.905 4.248 5.490 . 0 0 "[ . 1 . 2]" 1
104 1 7 GLN QG 1 10 ILE MD 4.500 . 5.800 3.316 2.847 3.887 . 0 0 "[ . 1 . 2]" 1
105 1 8 LYS H 1 8 LYS QB 3.300 . 4.000 2.180 2.060 2.266 . 0 0 "[ . 1 . 2]" 1
106 1 8 LYS H 1 8 LYS QD 4.600 . 6.400 4.348 3.736 4.631 . 0 0 "[ . 1 . 2]" 1
107 1 8 LYS H 1 8 LYS QG 3.100 . 3.700 2.898 2.633 3.339 . 0 0 "[ . 1 . 2]" 1
108 1 8 LYS H 1 9 ALA MB 4.700 . 6.600 4.239 4.161 4.372 . 0 0 "[ . 1 . 2]" 1
109 1 8 LYS HA 1 8 LYS QD 4.300 . 5.600 3.588 2.734 3.977 . 0 0 "[ . 1 . 2]" 1
110 1 8 LYS HA 1 8 LYS QG 3.700 . 4.600 2.194 2.052 2.355 . 0 0 "[ . 1 . 2]" 1
111 1 8 LYS HA 1 11 ASP H 4.100 . 5.300 3.429 3.334 3.556 . 0 0 "[ . 1 . 2]" 1
112 1 8 LYS HA 1 11 ASP HB2 4.200 . 5.500 2.764 2.520 3.138 . 0 0 "[ . 1 . 2]" 1
113 1 8 LYS HA 1 11 ASP QB 3.700 . 4.600 2.683 2.492 2.920 . 0 0 "[ . 1 . 2]" 1
114 1 8 LYS HA 1 11 ASP HB3 4.200 . 5.500 3.823 3.221 4.350 . 0 0 "[ . 1 . 2]" 1
115 1 8 LYS HA 1 12 LEU H 4.900 . 6.800 4.507 3.980 4.801 . 0 0 "[ . 1 . 2]" 1
116 1 8 LYS HA 1 38 TYR QE 5.400 . 8.100 5.675 5.194 6.191 . 0 0 "[ . 1 . 2]" 1
117 1 8 LYS QB 1 9 ALA H 3.300 . 4.000 2.732 2.541 2.869 . 0 0 "[ . 1 . 2]" 1
118 1 8 LYS QB 1 38 TYR QE 3.900 . 4.900 3.265 2.587 3.935 . 0 0 "[ . 1 . 2]" 1
119 1 8 LYS HB2 1 9 ALA H 3.800 . 4.700 2.890 2.637 3.126 . 0 0 "[ . 1 . 2]" 1
120 1 8 LYS HB3 1 9 ALA H 3.800 . 4.700 3.400 2.952 3.626 . 0 0 "[ . 1 . 2]" 1
121 1 8 LYS QD 1 38 TYR QE 3.900 . 4.900 2.724 2.226 3.490 . 0 0 "[ . 1 . 2]" 1
122 1 8 LYS QE 1 38 TYR QE 4.500 . 6.300 3.361 1.914 4.940 . 0 0 "[ . 1 . 2]" 1
123 1 9 ALA H 1 9 ALA MB 3.200 . 3.900 2.197 2.137 2.250 . 0 0 "[ . 1 . 2]" 1
124 1 9 ALA H 1 10 ILE H 4.000 . 5.200 2.614 2.513 2.784 . 0 0 "[ . 1 . 2]" 1
125 1 9 ALA H 1 10 ILE MD 5.200 . 7.800 4.549 4.385 4.693 . 0 0 "[ . 1 . 2]" 1
126 1 9 ALA H 1 11 ASP H 4.600 . 6.500 4.018 3.884 4.096 . 0 0 "[ . 1 . 2]" 1
127 1 9 ALA H 1 38 TYR HB2 4.700 . 6.600 4.396 3.811 5.128 . 0 0 "[ . 1 . 2]" 1
128 1 9 ALA H 1 38 TYR HB3 4.900 . 6.900 3.646 3.268 4.011 . 0 0 "[ . 1 . 2]" 1
129 1 9 ALA HA 1 12 LEU H 4.500 . 5.800 3.489 3.384 3.587 . 0 0 "[ . 1 . 2]" 1
130 1 9 ALA HA 1 12 LEU QB 3.800 . 4.700 2.792 2.456 3.044 . 0 0 "[ . 1 . 2]" 1
131 1 9 ALA HA 1 12 LEU HG 4.700 . 6.600 4.073 3.883 4.248 . 0 0 "[ . 1 . 2]" 1
132 1 9 ALA HA 1 13 VAL H 4.600 . 6.400 4.552 4.122 4.820 . 0 0 "[ . 1 . 2]" 1
133 1 9 ALA HA 1 13 VAL QG 4.900 . 6.900 3.992 3.694 4.294 . 0 0 "[ . 1 . 2]" 1
134 1 9 ALA HA 1 35 ALA H 5.100 . 7.700 5.329 4.903 5.782 . 0 0 "[ . 1 . 2]" 1
135 1 9 ALA HA 1 35 ALA HA 4.000 . 5.000 2.697 2.246 3.040 . 0 0 "[ . 1 . 2]" 1
136 1 9 ALA HA 1 35 ALA MB 4.200 . 5.400 3.022 2.664 3.446 . 0 0 "[ . 1 . 2]" 1
137 1 9 ALA HA 1 38 TYR H 4.700 . 6.600 4.946 4.644 5.232 . 0 0 "[ . 1 . 2]" 1
138 1 9 ALA HA 1 38 TYR QD 4.500 . 5.800 3.836 2.913 4.477 . 0 0 "[ . 1 . 2]" 1
139 1 9 ALA HA 1 38 TYR QE 4.900 . 6.900 5.394 4.881 5.971 . 0 0 "[ . 1 . 2]" 1
140 1 9 ALA MB 1 10 ILE H 3.700 . 4.600 2.636 2.409 2.730 . 0 0 "[ . 1 . 2]" 1
141 1 9 ALA MB 1 10 ILE HB 4.700 . 6.600 4.766 4.615 4.837 . 0 0 "[ . 1 . 2]" 1
142 1 9 ALA MB 1 10 ILE MD 4.200 . 5.500 4.070 3.843 4.233 . 0 0 "[ . 1 . 2]" 1
143 1 9 ALA MB 1 11 ASP H 4.800 . 6.700 4.439 4.303 4.529 . 0 0 "[ . 1 . 2]" 1
144 1 9 ALA MB 1 12 LEU H 4.900 . 6.900 4.589 4.510 4.637 . 0 0 "[ . 1 . 2]" 1
145 1 9 ALA MB 1 13 VAL H 5.200 . 7.800 4.926 4.638 5.047 . 0 0 "[ . 1 . 2]" 1
146 1 9 ALA MB 1 13 VAL QG 4.100 . 5.300 3.566 3.326 3.767 . 0 0 "[ . 1 . 2]" 1
147 1 9 ALA MB 1 35 ALA HA 3.600 . 4.500 3.349 2.812 3.798 . 0 0 "[ . 1 . 2]" 1
148 1 9 ALA MB 1 35 ALA MB 3.900 . 4.900 3.182 2.695 3.597 . 0 0 "[ . 1 . 2]" 1
149 1 9 ALA MB 1 38 TYR H 4.200 . 5.400 4.286 3.955 4.633 . 0 0 "[ . 1 . 2]" 1
150 1 9 ALA MB 1 38 TYR HB2 3.800 . 4.800 2.782 2.406 3.315 . 0 0 "[ . 1 . 2]" 1
151 1 9 ALA MB 1 38 TYR HB3 3.700 . 4.600 2.450 2.102 2.951 . 0 0 "[ . 1 . 2]" 1
152 1 9 ALA MB 1 38 TYR QD 4.500 . 5.800 3.903 3.612 4.216 . 0 0 "[ . 1 . 2]" 1
153 1 9 ALA MB 1 38 TYR QE 5.500 . 8.300 5.503 5.292 5.821 . 0 0 "[ . 1 . 2]" 1
154 1 9 ALA MB 1 39 PHE H 4.000 . 5.200 3.415 3.159 3.632 . 0 0 "[ . 1 . 2]" 1
155 1 9 ALA MB 1 39 PHE HA 4.400 . 5.700 3.449 3.287 3.713 . 0 0 "[ . 1 . 2]" 1
156 1 9 ALA MB 1 39 PHE QD 3.900 . 4.900 2.871 2.653 3.017 . 0 0 "[ . 1 . 2]" 1
157 1 9 ALA MB 1 39 PHE QE 4.900 . 6.900 2.605 2.448 2.777 . 0 0 "[ . 1 . 2]" 1
158 1 10 ILE H 1 10 ILE HB 3.300 . 4.000 2.616 2.608 2.632 . 0 0 "[ . 1 . 2]" 1
159 1 10 ILE H 1 10 ILE MD 3.800 . 4.700 3.151 2.940 3.292 . 0 0 "[ . 1 . 2]" 1
160 1 10 ILE H 1 10 ILE QG 4.000 . 5.200 1.987 1.972 2.023 . 0 0 "[ . 1 . 2]" 1
161 1 10 ILE H 1 10 ILE MG 4.000 . 5.200 3.772 3.765 3.776 . 0 0 "[ . 1 . 2]" 1
162 1 10 ILE H 1 11 ASP H 3.600 . 4.500 2.534 2.497 2.611 . 0 0 "[ . 1 . 2]" 1
163 1 10 ILE HA 1 10 ILE MD 4.000 . 5.200 3.924 3.913 3.929 . 0 0 "[ . 1 . 2]" 1
164 1 10 ILE HA 1 13 VAL H 4.800 . 6.700 3.482 3.276 3.757 . 0 0 "[ . 1 . 2]" 1
165 1 10 ILE HA 1 13 VAL HB 4.800 . 6.700 3.638 2.996 5.064 . 0 0 "[ . 1 . 2]" 1
166 1 10 ILE HA 1 13 VAL MG1 4.100 . 5.300 4.151 3.450 4.475 . 0 0 "[ . 1 . 2]" 1
167 1 10 ILE HA 1 13 VAL QG 3.500 . 4.400 2.503 1.920 2.922 . 0 0 "[ . 1 . 2]" 1
168 1 10 ILE HA 1 13 VAL MG2 4.100 . 5.300 2.525 1.930 2.963 . 0 0 "[ . 1 . 2]" 1
169 1 10 ILE HA 1 14 THR H 4.900 . 6.900 4.434 4.291 4.609 . 0 0 "[ . 1 . 2]" 1
170 1 10 ILE HB 1 10 ILE MD 3.200 . 3.800 2.199 2.085 2.361 . 0 0 "[ . 1 . 2]" 1
171 1 10 ILE HB 1 11 ASP H 3.600 . 4.500 2.861 2.745 2.892 . 0 0 "[ . 1 . 2]" 1
172 1 10 ILE MD 1 11 ASP H 4.600 . 6.400 4.395 4.223 4.494 . 0 0 "[ . 1 . 2]" 1
173 1 10 ILE MD 1 39 PHE QE 4.200 . 5.500 4.545 4.286 4.989 . 0 0 "[ . 1 . 2]" 1
174 1 10 ILE MG 1 11 ASP H 4.000 . 5.000 3.768 3.705 3.791 . 0 0 "[ . 1 . 2]" 1
175 1 10 ILE MG 1 11 ASP HA 4.300 . 5.600 3.732 3.682 3.805 . 0 0 "[ . 1 . 2]" 1
176 1 10 ILE MG 1 39 PHE QE 5.400 . 8.100 5.249 5.047 5.650 . 0 0 "[ . 1 . 2]" 1
177 1 11 ASP H 1 11 ASP HB2 3.700 . 4.600 2.153 2.074 2.249 . 0 0 "[ . 1 . 2]" 1
178 1 11 ASP H 1 11 ASP QB 3.200 . 3.800 2.119 2.054 2.175 . 0 0 "[ . 1 . 2]" 1
179 1 11 ASP H 1 11 ASP HB3 3.700 . 4.600 3.227 2.891 3.475 . 0 0 "[ . 1 . 2]" 1
180 1 11 ASP H 1 12 LEU H 3.700 . 4.600 2.492 2.396 2.583 . 0 0 "[ . 1 . 2]" 1
181 1 11 ASP HA 1 14 THR H 4.600 . 6.400 3.455 3.288 3.648 . 0 0 "[ . 1 . 2]" 1
182 1 11 ASP QB 1 12 LEU QD 4.500 . 6.300 2.637 2.410 2.963 . 0 0 "[ . 1 . 2]" 1
183 1 11 ASP HB2 1 12 LEU H 4.000 . 5.200 3.351 3.040 3.705 . 0 0 "[ . 1 . 2]" 1
184 1 11 ASP HB3 1 12 LEU H 4.000 . 5.200 3.215 2.809 3.502 . 0 0 "[ . 1 . 2]" 1
185 1 12 LEU H 1 12 LEU HB2 3.800 . 4.800 2.161 2.108 2.201 . 0 0 "[ . 1 . 2]" 1
186 1 12 LEU H 1 12 LEU QB 3.300 . 4.000 2.140 2.089 2.179 . 0 0 "[ . 1 . 2]" 1
187 1 12 LEU H 1 12 LEU HB3 3.800 . 4.800 3.464 3.414 3.498 . 0 0 "[ . 1 . 2]" 1
188 1 12 LEU H 1 12 LEU QD 3.900 . 4.900 2.346 2.261 2.528 . 0 0 "[ . 1 . 2]" 1
189 1 12 LEU H 1 12 LEU HG 4.900 . 6.900 4.067 3.988 4.118 . 0 0 "[ . 1 . 2]" 1
190 1 12 LEU H 1 13 VAL H 3.700 . 4.600 2.506 2.443 2.614 . 0 0 "[ . 1 . 2]" 1
191 1 12 LEU H 1 13 VAL QG 5.200 . 7.800 3.609 3.400 3.793 . 0 0 "[ . 1 . 2]" 1
192 1 12 LEU H 1 14 THR H 4.700 . 6.600 3.951 3.860 4.033 . 0 0 "[ . 1 . 2]" 1
193 1 12 LEU H 1 35 ALA MB 4.300 . 5.600 3.667 3.429 3.919 . 0 0 "[ . 1 . 2]" 1
194 1 12 LEU HA 1 12 LEU QD 3.100 . 3.700 1.966 1.875 2.015 . 0 0 "[ . 1 . 2]" 1
195 1 12 LEU HA 1 12 LEU HG 4.200 . 5.500 3.654 3.634 3.671 . 0 0 "[ . 1 . 2]" 1
196 1 12 LEU HA 1 14 THR H 4.600 . 6.400 4.212 4.099 4.351 . 0 0 "[ . 1 . 2]" 1
197 1 12 LEU HA 1 15 LYS H 4.600 . 6.400 3.574 3.439 3.713 . 0 0 "[ . 1 . 2]" 1
198 1 12 LEU HA 1 15 LYS QD 4.200 . 5.500 3.846 3.364 4.113 . 0 0 "[ . 1 . 2]" 1
199 1 12 LEU HA 1 34 HIS QB 5.300 . 8.000 4.904 4.553 5.200 . 0 0 "[ . 1 . 2]" 1
200 1 12 LEU HA 1 35 ALA MB 4.700 . 6.600 4.135 3.951 4.353 . 0 0 "[ . 1 . 2]" 1
201 1 12 LEU QB 1 13 VAL H 3.700 . 4.600 2.789 2.569 2.864 . 0 0 "[ . 1 . 2]" 1
202 1 12 LEU QB 1 35 ALA H 4.200 . 5.400 2.872 2.594 3.140 . 0 0 "[ . 1 . 2]" 1
203 1 12 LEU HB2 1 13 VAL H 4.300 . 5.600 2.965 2.713 3.058 . 0 0 "[ . 1 . 2]" 1
204 1 12 LEU HB2 1 35 ALA H 4.800 . 6.700 3.947 3.528 4.369 . 0 0 "[ . 1 . 2]" 1
205 1 12 LEU HB3 1 13 VAL H 4.300 . 5.600 3.403 3.104 3.537 . 0 0 "[ . 1 . 2]" 1
206 1 12 LEU HB3 1 35 ALA H 4.800 . 6.700 2.952 2.669 3.242 . 0 0 "[ . 1 . 2]" 1
207 1 12 LEU QD 1 15 LYS H 4.800 . 6.700 4.464 4.349 4.563 . 0 0 "[ . 1 . 2]" 1
208 1 12 LEU QD 1 16 ALA H 5.000 . 7.500 4.728 4.546 4.925 . 0 0 "[ . 1 . 2]" 1
209 1 12 LEU QD 1 16 ALA MB 4.800 . 6.700 4.171 3.935 4.418 . 0 0 "[ . 1 . 2]" 1
210 1 12 LEU QD 1 31 LEU QB 3.500 . 4.200 3.188 3.028 3.379 . 0 0 "[ . 1 . 2]" 1
211 1 12 LEU QD 1 34 HIS H 4.400 . 5.700 3.980 3.677 4.272 . 0 0 "[ . 1 . 2]" 1
212 1 12 LEU QD 1 34 HIS HB2 4.100 . 5.300 2.479 2.103 2.937 . 0 0 "[ . 1 . 2]" 1
213 1 12 LEU QD 1 34 HIS HB3 4.100 . 5.300 2.392 2.104 2.805 . 0 0 "[ . 1 . 2]" 1
214 1 12 LEU QD 1 34 HIS HD2 4.500 . 5.800 4.585 4.097 4.869 . 0 0 "[ . 1 . 2]" 1
215 1 12 LEU QD 1 35 ALA H 4.500 . 5.800 3.473 3.261 3.617 . 0 0 "[ . 1 . 2]" 1
216 1 12 LEU QD 1 38 TYR QE 3.900 . 4.900 3.331 2.561 3.979 . 0 0 "[ . 1 . 2]" 1
217 1 12 LEU HG 1 34 HIS H 4.600 . 6.400 4.915 4.336 5.327 . 0 0 "[ . 1 . 2]" 1
218 1 12 LEU HG 1 34 HIS HB2 4.500 . 5.800 3.337 2.589 3.923 . 0 0 "[ . 1 . 2]" 1
219 1 12 LEU HG 1 34 HIS HB3 4.500 . 5.800 2.348 1.998 2.696 . 0 0 "[ . 1 . 2]" 1
220 1 12 LEU HG 1 35 ALA H 4.100 . 5.300 3.457 3.135 3.827 . 0 0 "[ . 1 . 2]" 1
221 1 12 LEU HG 1 35 ALA HA 4.200 . 5.500 3.046 2.793 3.388 . 0 0 "[ . 1 . 2]" 1
222 1 12 LEU HG 1 36 VAL H 5.500 . 8.300 5.602 5.296 5.779 . 0 0 "[ . 1 . 2]" 1
223 1 12 LEU HG 1 38 TYR QD 3.800 . 4.700 3.369 2.764 4.236 . 0 0 "[ . 1 . 2]" 1
224 1 12 LEU HG 1 38 TYR QE 3.600 . 4.500 3.720 2.535 4.500 0.000 4 0 "[ . 1 . 2]" 1
225 1 13 VAL H 1 13 VAL HB 3.700 . 4.600 2.912 2.592 3.629 . 0 0 "[ . 1 . 2]" 1
226 1 13 VAL H 1 13 VAL MG1 3.900 . 4.900 3.378 2.390 3.787 . 0 0 "[ . 1 . 2]" 1
227 1 13 VAL H 1 13 VAL QG 3.300 . 4.000 1.983 1.886 2.092 . 0 0 "[ . 1 . 2]" 1
228 1 13 VAL H 1 13 VAL MG2 3.900 . 4.900 2.018 1.952 2.157 . 0 0 "[ . 1 . 2]" 1
229 1 13 VAL H 1 14 THR H 3.800 . 4.700 2.483 2.402 2.657 . 0 0 "[ . 1 . 2]" 1
230 1 13 VAL H 1 15 LYS H 4.800 . 6.700 4.134 4.009 4.386 . 0 0 "[ . 1 . 2]" 1
231 1 13 VAL H 1 16 ALA H 4.900 . 6.900 4.776 4.697 4.910 . 0 0 "[ . 1 . 2]" 1
232 1 13 VAL H 1 16 ALA MB 4.700 . 6.600 4.676 4.462 4.860 . 0 0 "[ . 1 . 2]" 1
233 1 13 VAL H 1 35 ALA HA 4.700 . 6.600 5.071 4.709 5.433 . 0 0 "[ . 1 . 2]" 1
234 1 13 VAL H 1 35 ALA MB 3.700 . 4.600 3.031 2.696 3.249 . 0 0 "[ . 1 . 2]" 1
235 1 13 VAL HA 1 15 LYS H 4.600 . 6.500 4.389 4.274 4.520 . 0 0 "[ . 1 . 2]" 1
236 1 13 VAL HA 1 16 ALA H 3.800 . 4.800 3.446 3.373 3.542 . 0 0 "[ . 1 . 2]" 1
237 1 13 VAL HA 1 16 ALA MB 3.200 . 3.800 2.649 2.401 2.860 . 0 0 "[ . 1 . 2]" 1
238 1 13 VAL HA 1 17 THR H 4.900 . 6.900 4.021 3.843 4.250 . 0 0 "[ . 1 . 2]" 1
239 1 13 VAL HA 1 35 ALA MB 4.700 . 6.600 3.421 3.118 3.722 . 0 0 "[ . 1 . 2]" 1
240 1 13 VAL HB 1 14 THR H 4.000 . 5.200 3.153 2.854 3.832 . 0 0 "[ . 1 . 2]" 1
241 1 13 VAL HB 1 35 ALA MB 4.100 . 5.300 4.307 4.097 4.528 . 0 0 "[ . 1 . 2]" 1
242 1 13 VAL HB 1 39 PHE QE 5.100 . 7.700 5.080 4.798 5.399 . 0 0 "[ . 1 . 2]" 1
243 1 13 VAL QG 1 14 THR H 3.600 . 4.500 2.977 1.968 3.389 . 0 0 "[ . 1 . 2]" 1
244 1 13 VAL QG 1 14 THR HA 4.300 . 5.600 3.575 3.234 3.741 . 0 0 "[ . 1 . 2]" 1
245 1 13 VAL QG 1 17 THR H 4.700 . 6.600 4.091 3.678 4.856 . 0 0 "[ . 1 . 2]" 1
246 1 13 VAL QG 1 17 THR MG 4.500 . 6.300 3.606 3.316 4.185 . 0 0 "[ . 1 . 2]" 1
247 1 13 VAL QG 1 32 TYR HA 4.000 . 5.200 3.803 3.148 4.120 . 0 0 "[ . 1 . 2]" 1
248 1 13 VAL QG 1 32 TYR QD 3.500 . 4.200 3.346 2.385 4.122 . 0 0 "[ . 1 . 2]" 1
249 1 13 VAL QG 1 35 ALA H 4.500 . 5.800 4.527 4.222 4.749 . 0 0 "[ . 1 . 2]" 1
250 1 13 VAL QG 1 35 ALA HA 4.800 . 6.700 4.054 3.834 4.329 . 0 0 "[ . 1 . 2]" 1
251 1 13 VAL QG 1 35 ALA MB 3.000 . 3.600 2.017 1.799 2.209 0.001 20 0 "[ . 1 . 2]" 1
252 1 13 VAL QG 1 36 VAL QG 4.700 . 6.600 4.173 3.700 4.629 . 0 0 "[ . 1 . 2]" 1
253 1 13 VAL QG 1 39 PHE QD 4.100 . 5.300 4.081 3.710 4.443 . 0 0 "[ . 1 . 2]" 1
254 1 13 VAL QG 1 39 PHE QE 3.400 . 4.100 2.577 2.261 2.853 . 0 0 "[ . 1 . 2]" 1
255 1 13 VAL QG 1 63 TYR QD 3.800 . 4.700 3.198 2.914 3.606 . 0 0 "[ . 1 . 2]" 1
256 1 13 VAL QG 1 63 TYR QE 3.200 . 3.800 2.316 1.893 3.026 . 0 0 "[ . 1 . 2]" 1
257 1 13 VAL MG1 1 14 THR H 4.300 . 5.600 3.854 3.756 4.074 . 0 0 "[ . 1 . 2]" 1
258 1 13 VAL MG1 1 35 ALA MB 4.000 . 5.200 3.357 1.806 4.140 . 0 0 "[ . 1 . 2]" 1
259 1 13 VAL MG1 1 39 PHE QE 4.700 . 6.600 3.996 2.282 4.845 . 0 0 "[ . 1 . 2]" 1
260 1 13 VAL MG1 1 63 TYR QD 5.200 . 7.800 3.438 2.985 4.303 . 0 0 "[ . 1 . 2]" 1
261 1 13 VAL MG1 1 63 TYR QE 3.600 . 4.500 2.396 1.915 3.529 . 0 0 "[ . 1 . 2]" 1
262 1 13 VAL MG2 1 14 THR H 4.300 . 5.600 3.278 1.973 3.828 . 0 0 "[ . 1 . 2]" 1
263 1 13 VAL MG2 1 35 ALA MB 4.000 . 5.200 2.486 1.853 3.682 . 0 0 "[ . 1 . 2]" 1
264 1 13 VAL MG2 1 39 PHE QE 4.700 . 6.600 2.959 2.397 3.781 . 0 0 "[ . 1 . 2]" 1
265 1 13 VAL MG2 1 63 TYR QD 5.200 . 7.800 4.077 3.440 5.116 . 0 0 "[ . 1 . 2]" 1
266 1 13 VAL MG2 1 63 TYR QE 3.600 . 4.500 3.199 2.765 3.806 . 0 0 "[ . 1 . 2]" 1
267 1 14 THR H 1 14 THR HB 3.400 . 4.100 2.620 2.547 2.708 . 0 0 "[ . 1 . 2]" 1
268 1 14 THR H 1 14 THR MG 4.000 . 5.000 3.755 3.739 3.766 . 0 0 "[ . 1 . 2]" 1
269 1 14 THR H 1 15 LYS H 3.600 . 4.500 2.536 2.449 2.613 . 0 0 "[ . 1 . 2]" 1
270 1 14 THR H 1 16 ALA H 4.800 . 6.700 3.884 3.811 3.951 . 0 0 "[ . 1 . 2]" 1
271 1 14 THR HA 1 14 THR MG 3.400 . 4.100 2.317 2.247 2.383 . 0 0 "[ . 1 . 2]" 1
272 1 14 THR HA 1 17 THR H 4.500 . 6.300 3.679 3.590 3.760 . 0 0 "[ . 1 . 2]" 1
273 1 14 THR HA 1 17 THR HB 4.500 . 6.300 4.092 3.933 4.249 . 0 0 "[ . 1 . 2]" 1
274 1 14 THR HA 1 18 GLU H 5.200 . 7.800 4.189 4.073 4.361 . 0 0 "[ . 1 . 2]" 1
275 1 14 THR HB 1 15 LYS H 3.500 . 4.200 2.656 2.512 2.776 . 0 0 "[ . 1 . 2]" 1
276 1 14 THR HB 1 16 ALA H 5.500 . 8.300 4.888 4.756 4.979 . 0 0 "[ . 1 . 2]" 1
277 1 14 THR MG 1 15 LYS H 3.900 . 4.900 3.731 3.594 3.842 . 0 0 "[ . 1 . 2]" 1
278 1 14 THR MG 1 15 LYS HA 4.100 . 5.300 3.843 3.732 3.994 . 0 0 "[ . 1 . 2]" 1
279 1 14 THR MG 1 15 LYS QB 4.900 . 6.800 4.712 4.512 4.934 . 0 0 "[ . 1 . 2]" 1
280 1 14 THR MG 1 17 THR H 5.300 . 7.900 5.042 4.950 5.126 . 0 0 "[ . 1 . 2]" 1
281 1 14 THR MG 1 17 THR MG 3.400 . 4.100 2.999 2.823 3.204 . 0 0 "[ . 1 . 2]" 1
282 1 14 THR MG 1 18 GLU H 4.900 . 6.900 4.412 4.282 4.546 . 0 0 "[ . 1 . 2]" 1
283 1 14 THR MG 1 18 GLU HB2 4.300 . 5.600 5.274 5.069 5.430 . 0 0 "[ . 1 . 2]" 1
284 1 14 THR MG 1 18 GLU HG3 5.000 . 7.000 5.373 4.564 5.590 . 0 0 "[ . 1 . 2]" 1
285 1 15 LYS H 1 15 LYS HB2 3.600 . 4.500 2.126 2.084 2.211 . 0 0 "[ . 1 . 2]" 1
286 1 15 LYS H 1 15 LYS QB 3.100 . 3.700 2.097 2.061 2.158 . 0 0 "[ . 1 . 2]" 1
287 1 15 LYS H 1 15 LYS HB3 3.600 . 4.500 3.257 2.937 3.485 . 0 0 "[ . 1 . 2]" 1
288 1 15 LYS H 1 15 LYS HG2 4.600 . 6.400 4.494 4.129 4.648 . 0 0 "[ . 1 . 2]" 1
289 1 15 LYS H 1 15 LYS QG 4.000 . 5.200 3.627 3.095 3.875 . 0 0 "[ . 1 . 2]" 1
290 1 15 LYS H 1 15 LYS HG3 4.600 . 6.400 3.840 3.173 4.153 . 0 0 "[ . 1 . 2]" 1
291 1 15 LYS H 1 16 ALA H 3.600 . 4.500 2.493 2.490 2.497 . 0 0 "[ . 1 . 2]" 1
292 1 15 LYS H 1 16 ALA MB 4.700 . 6.600 4.126 4.083 4.182 . 0 0 "[ . 1 . 2]" 1
293 1 15 LYS H 1 17 THR MG 5.200 . 7.800 4.005 3.898 4.127 . 0 0 "[ . 1 . 2]" 1
294 1 15 LYS H 1 18 GLU HB2 5.500 . 8.300 7.132 7.030 7.220 . 0 0 "[ . 1 . 2]" 1
295 1 15 LYS H 1 31 LEU QD 5.200 . 7.800 3.893 3.631 4.230 . 0 0 "[ . 1 . 2]" 1
296 1 15 LYS H 1 31 LEU HG 5.400 . 8.100 5.208 4.716 5.788 . 0 0 "[ . 1 . 2]" 1
297 1 15 LYS HA 1 15 LYS QD 4.000 . 5.200 3.551 2.821 3.961 . 0 0 "[ . 1 . 2]" 1
298 1 15 LYS HA 1 15 LYS HG2 4.100 . 5.300 3.123 2.291 3.515 . 0 0 "[ . 1 . 2]" 1
299 1 15 LYS HA 1 15 LYS HG3 4.100 . 5.300 2.175 2.023 2.786 . 0 0 "[ . 1 . 2]" 1
300 1 15 LYS HA 1 18 GLU H 4.100 . 5.300 3.768 3.657 3.872 . 0 0 "[ . 1 . 2]" 1
301 1 15 LYS HA 1 18 GLU HB2 4.000 . 5.200 4.719 4.639 4.836 . 0 0 "[ . 1 . 2]" 1
302 1 15 LYS HA 1 18 GLU HG2 4.400 . 5.700 2.080 1.991 2.229 . 0 0 "[ . 1 . 2]" 1
303 1 15 LYS HA 1 19 GLU H 4.500 . 5.800 4.161 3.979 4.413 . 0 0 "[ . 1 . 2]" 1
304 1 15 LYS QB 1 16 ALA H 3.500 . 4.400 2.906 2.842 2.956 . 0 0 "[ . 1 . 2]" 1
305 1 15 LYS QB 1 31 LEU QD 3.800 . 4.700 2.104 1.879 2.443 . 0 0 "[ . 1 . 2]" 1
306 1 15 LYS QB 1 31 LEU HG 3.700 . 4.600 2.513 2.002 3.198 . 0 0 "[ . 1 . 2]" 1
307 1 15 LYS HB2 1 16 ALA H 4.000 . 5.200 3.334 3.082 3.658 . 0 0 "[ . 1 . 2]" 1
308 1 15 LYS HB2 1 31 LEU QD 4.600 . 6.400 2.678 2.343 3.083 . 0 0 "[ . 1 . 2]" 1
309 1 15 LYS HB2 1 31 LEU HG 4.300 . 5.600 3.945 3.243 4.498 . 0 0 "[ . 1 . 2]" 1
310 1 15 LYS HB3 1 16 ALA H 4.000 . 5.200 3.262 2.962 3.594 . 0 0 "[ . 1 . 2]" 1
311 1 15 LYS HB3 1 31 LEU QD 4.600 . 6.400 2.232 1.913 2.584 . 0 0 "[ . 1 . 2]" 1
312 1 15 LYS HB3 1 31 LEU HG 4.300 . 5.600 2.547 2.016 3.272 . 0 0 "[ . 1 . 2]" 1
313 1 15 LYS QG 1 16 ALA H 5.100 . 7.600 4.517 4.340 4.637 . 0 0 "[ . 1 . 2]" 1
314 1 15 LYS QG 1 31 LEU QD 4.400 . 5.700 3.166 2.716 3.740 . 0 0 "[ . 1 . 2]" 1
315 1 15 LYS QG 1 31 LEU HG 4.600 . 6.400 3.925 3.035 4.783 . 0 0 "[ . 1 . 2]" 1
316 1 15 LYS HG2 1 31 LEU HG 5.300 . 7.900 4.093 3.078 5.058 . 0 0 "[ . 1 . 2]" 1
317 1 15 LYS HG3 1 31 LEU HG 5.300 . 7.900 5.137 4.574 5.904 . 0 0 "[ . 1 . 2]" 1
318 1 16 ALA H 1 16 ALA MB 3.300 . 4.000 2.127 2.054 2.214 . 0 0 "[ . 1 . 2]" 1
319 1 16 ALA H 1 17 THR H 3.900 . 4.900 2.590 2.524 2.640 . 0 0 "[ . 1 . 2]" 1
320 1 16 ALA H 1 17 THR HB 5.500 . 8.300 5.059 4.984 5.121 . 0 0 "[ . 1 . 2]" 1
321 1 16 ALA H 1 17 THR MG 5.400 . 8.100 3.556 3.501 3.614 . 0 0 "[ . 1 . 2]" 1
322 1 16 ALA H 1 18 GLU H 5.100 . 7.600 4.120 4.075 4.149 . 0 0 "[ . 1 . 2]" 1
323 1 16 ALA H 1 31 LEU HB2 4.600 . 6.500 4.582 4.179 5.107 . 0 0 "[ . 1 . 2]" 1
324 1 16 ALA H 1 31 LEU QB 4.000 . 5.200 3.287 2.895 3.738 . 0 0 "[ . 1 . 2]" 1
325 1 16 ALA H 1 31 LEU HB3 4.600 . 6.500 3.369 2.952 3.843 . 0 0 "[ . 1 . 2]" 1
326 1 16 ALA H 1 31 LEU QD 5.200 . 7.800 3.575 3.346 3.761 . 0 0 "[ . 1 . 2]" 1
327 1 16 ALA H 1 31 LEU HG 4.200 . 5.400 4.050 3.691 4.331 . 0 0 "[ . 1 . 2]" 1
328 1 16 ALA HA 1 18 GLU H 5.100 . 7.700 4.566 4.457 4.683 . 0 0 "[ . 1 . 2]" 1
329 1 16 ALA HA 1 19 GLU H 4.600 . 6.500 3.484 3.377 3.580 . 0 0 "[ . 1 . 2]" 1
330 1 16 ALA HA 1 28 ALA HA 4.100 . 5.300 2.580 2.095 2.981 . 0 0 "[ . 1 . 2]" 1
331 1 16 ALA HA 1 28 ALA MB 4.500 . 5.800 3.193 2.852 3.591 . 0 0 "[ . 1 . 2]" 1
332 1 16 ALA HA 1 31 LEU HB2 4.700 . 6.600 3.043 2.813 3.324 . 0 0 "[ . 1 . 2]" 1
333 1 16 ALA HA 1 31 LEU QB 3.900 . 4.900 2.722 2.568 2.854 . 0 0 "[ . 1 . 2]" 1
334 1 16 ALA HA 1 31 LEU HB3 4.700 . 6.600 3.083 2.885 3.295 . 0 0 "[ . 1 . 2]" 1
335 1 16 ALA HA 1 31 LEU HG 3.900 . 4.900 3.241 3.034 3.571 . 0 0 "[ . 1 . 2]" 1
336 1 16 ALA MB 1 17 THR H 3.800 . 4.700 2.505 2.378 2.603 . 0 0 "[ . 1 . 2]" 1
337 1 16 ALA MB 1 18 GLU H 5.000 . 7.000 4.566 4.513 4.623 . 0 0 "[ . 1 . 2]" 1
338 1 16 ALA MB 1 28 ALA HA 4.400 . 5.700 2.618 2.249 2.962 . 0 0 "[ . 1 . 2]" 1
339 1 16 ALA MB 1 28 ALA MB 4.100 . 5.300 2.861 2.600 3.195 . 0 0 "[ . 1 . 2]" 1
340 1 16 ALA MB 1 31 LEU H 4.400 . 5.700 4.062 3.653 4.387 . 0 0 "[ . 1 . 2]" 1
341 1 16 ALA MB 1 31 LEU HB2 3.900 . 4.900 2.642 2.162 3.044 . 0 0 "[ . 1 . 2]" 1
342 1 16 ALA MB 1 31 LEU HB3 3.900 . 4.900 2.061 1.929 2.292 . 0 0 "[ . 1 . 2]" 1
343 1 16 ALA MB 1 31 LEU QD 5.000 . 7.500 3.296 3.012 3.508 . 0 0 "[ . 1 . 2]" 1
344 1 16 ALA MB 1 32 TYR H 4.000 . 5.000 3.021 2.509 3.288 . 0 0 "[ . 1 . 2]" 1
345 1 16 ALA MB 1 32 TYR HA 4.100 . 5.300 3.162 2.972 3.356 . 0 0 "[ . 1 . 2]" 1
346 1 16 ALA MB 1 32 TYR QD 4.000 . 5.200 2.414 1.953 2.817 . 0 0 "[ . 1 . 2]" 1
347 1 16 ALA MB 1 35 ALA MB 4.500 . 6.300 4.195 3.831 4.449 . 0 0 "[ . 1 . 2]" 1
348 1 17 THR H 1 17 THR HB 3.700 . 4.600 2.593 2.560 2.619 . 0 0 "[ . 1 . 2]" 1
349 1 17 THR H 1 17 THR MG 3.800 . 4.700 1.978 1.959 2.027 . 0 0 "[ . 1 . 2]" 1
350 1 17 THR H 1 18 GLU H 3.800 . 4.700 2.759 2.678 2.800 . 0 0 "[ . 1 . 2]" 1
351 1 17 THR H 1 18 GLU HB2 4.900 . 6.900 6.316 6.236 6.351 . 0 0 "[ . 1 . 2]" 1
352 1 17 THR H 1 31 LEU QB 5.300 . 8.000 5.004 4.732 5.223 . 0 0 "[ . 1 . 2]" 1
353 1 17 THR H 1 32 TYR QE 4.900 . 6.900 4.142 3.788 4.744 . 0 0 "[ . 1 . 2]" 1
354 1 17 THR HA 1 17 THR MG 3.400 . 4.100 3.225 3.223 3.227 . 0 0 "[ . 1 . 2]" 1
355 1 17 THR HA 1 20 ASP HB2 4.400 . 5.700 3.015 2.637 3.449 . 0 0 "[ . 1 . 2]" 1
356 1 17 THR HA 1 20 ASP QB 3.800 . 4.700 2.871 2.609 3.106 . 0 0 "[ . 1 . 2]" 1
357 1 17 THR HA 1 20 ASP HB3 4.400 . 5.700 3.742 3.250 4.548 . 0 0 "[ . 1 . 2]" 1
358 1 17 THR HA 1 32 TYR QE 4.800 . 6.700 3.448 3.081 4.075 . 0 0 "[ . 1 . 2]" 1
359 1 17 THR HB 1 18 GLU H 3.900 . 4.900 3.888 3.837 3.937 . 0 0 "[ . 1 . 2]" 1
360 1 17 THR MG 1 18 GLU H 4.100 . 5.300 1.915 1.890 1.947 . 0 0 "[ . 1 . 2]" 1
361 1 17 THR MG 1 18 GLU HA 4.200 . 5.500 3.349 3.264 3.407 . 0 0 "[ . 1 . 2]" 1
362 1 17 THR MG 1 18 GLU HB2 4.700 . 6.600 4.331 4.271 4.380 . 0 0 "[ . 1 . 2]" 1
363 1 17 THR MG 1 21 LYS QB 5.300 . 8.000 5.571 5.219 6.075 . 0 0 "[ . 1 . 2]" 1
364 1 17 THR MG 1 21 LYS QD 3.800 . 4.700 4.313 3.939 4.689 . 0 0 "[ . 1 . 2]" 1
365 1 17 THR MG 1 21 LYS QE 4.800 . 6.700 4.835 4.114 5.820 . 0 0 "[ . 1 . 2]" 1
366 1 17 THR MG 1 32 TYR QE 5.500 . 8.300 4.975 4.551 5.401 . 0 0 "[ . 1 . 2]" 1
367 1 18 GLU H 1 18 GLU HB2 3.300 . 4.000 3.593 3.590 3.596 . 0 0 "[ . 1 . 2]" 1
368 1 18 GLU H 1 18 GLU HB3 3.700 . 4.600 2.553 2.510 2.605 . 0 0 "[ . 1 . 2]" 1
369 1 18 GLU H 1 18 GLU HG2 4.200 . 5.400 2.221 1.998 3.165 . 0 0 "[ . 1 . 2]" 1
370 1 18 GLU H 1 18 GLU HG3 3.700 . 4.600 3.164 2.225 3.370 . 0 0 "[ . 1 . 2]" 1
371 1 18 GLU H 1 19 GLU H 3.600 . 4.500 2.604 2.557 2.674 . 0 0 "[ . 1 . 2]" 1
372 1 18 GLU H 1 19 GLU QB 5.200 . 7.800 4.383 4.288 4.483 . 0 0 "[ . 1 . 2]" 1
373 1 18 GLU H 1 20 ASP H 4.800 . 6.700 4.231 4.098 4.363 . 0 0 "[ . 1 . 2]" 1
374 1 18 GLU H 1 21 LYS QD 5.500 . 8.300 4.702 4.227 5.117 . 0 0 "[ . 1 . 2]" 1
375 1 18 GLU HA 1 18 GLU HG2 3.700 . 4.600 3.801 3.700 4.194 . 0 0 "[ . 1 . 2]" 1
376 1 18 GLU HA 1 18 GLU HG3 4.200 . 5.500 3.731 3.568 3.799 . 0 0 "[ . 1 . 2]" 1
377 1 18 GLU HA 1 21 LYS H 4.700 . 6.600 3.681 3.587 3.866 . 0 0 "[ . 1 . 2]" 1
378 1 18 GLU HA 1 21 LYS QB 4.100 . 5.300 3.283 2.755 4.385 . 0 0 "[ . 1 . 2]" 1
379 1 18 GLU HA 1 21 LYS QD 3.900 . 4.900 2.705 2.095 3.225 . 0 0 "[ . 1 . 2]" 1
380 1 18 GLU HB2 1 19 GLU H 4.400 . 5.700 3.838 3.673 3.951 . 0 0 "[ . 1 . 2]" 1
381 1 18 GLU HB3 1 19 GLU H 4.300 . 5.600 3.973 3.886 4.045 . 0 0 "[ . 1 . 2]" 1
382 1 18 GLU HG2 1 19 GLU H 3.600 . 4.500 2.733 2.314 3.779 . 0 0 "[ . 1 . 2]" 1
383 1 18 GLU HG2 1 19 GLU HA 4.100 . 5.300 4.778 4.583 5.301 0.001 10 0 "[ . 1 . 2]" 1
384 1 18 GLU HG2 1 19 GLU QB 4.200 . 5.500 4.220 3.882 5.179 . 0 0 "[ . 1 . 2]" 1
385 1 18 GLU HG2 1 20 ASP H 4.800 . 6.700 5.232 4.832 6.364 . 0 0 "[ . 1 . 2]" 1
386 1 18 GLU HG2 1 22 ALA MB 5.100 . 7.600 6.148 5.665 6.497 . 0 0 "[ . 1 . 2]" 1
387 1 18 GLU HG3 1 19 GLU H 3.900 . 4.900 2.342 1.991 2.587 . 0 0 "[ . 1 . 2]" 1
388 1 19 GLU H 1 19 GLU QB 3.600 . 4.500 2.154 2.067 2.278 . 0 0 "[ . 1 . 2]" 1
389 1 19 GLU H 1 19 GLU HG2 4.600 . 6.400 3.538 2.588 4.491 . 0 0 "[ . 1 . 2]" 1
390 1 19 GLU H 1 19 GLU QG 4.000 . 5.000 3.039 2.542 3.764 . 0 0 "[ . 1 . 2]" 1
391 1 19 GLU H 1 19 GLU HG3 4.600 . 6.400 3.696 3.393 4.078 . 0 0 "[ . 1 . 2]" 1
392 1 19 GLU H 1 20 ASP H 3.900 . 4.900 2.612 2.481 2.721 . 0 0 "[ . 1 . 2]" 1
393 1 19 GLU H 1 22 ALA MB 5.300 . 8.000 4.854 4.441 5.250 . 0 0 "[ . 1 . 2]" 1
394 1 19 GLU H 1 28 ALA MB 5.500 . 8.300 4.460 4.029 4.963 . 0 0 "[ . 1 . 2]" 1
395 1 19 GLU H 1 31 LEU HG 5.500 . 8.300 5.666 5.490 5.821 . 0 0 "[ . 1 . 2]" 1
396 1 19 GLU HA 1 21 LYS H 4.700 . 6.600 4.135 3.938 4.448 . 0 0 "[ . 1 . 2]" 1
397 1 19 GLU HA 1 22 ALA H 4.100 . 5.300 3.204 3.149 3.307 . 0 0 "[ . 1 . 2]" 1
398 1 19 GLU HA 1 22 ALA MB 3.300 . 4.000 2.585 2.144 3.020 . 0 0 "[ . 1 . 2]" 1
399 1 19 GLU HA 1 23 LYS H 5.500 . 8.300 5.452 5.279 5.581 . 0 0 "[ . 1 . 2]" 1
400 1 19 GLU HA 1 24 ASN H 4.700 . 6.600 4.433 4.045 4.898 . 0 0 "[ . 1 . 2]" 1
401 1 19 GLU HA 1 24 ASN HB2 4.600 . 6.400 2.873 2.583 3.231 . 0 0 "[ . 1 . 2]" 1
402 1 19 GLU HA 1 24 ASN HB3 4.600 . 6.400 4.141 3.803 4.480 . 0 0 "[ . 1 . 2]" 1
403 1 19 GLU HA 1 24 ASN HD21 5.300 . 7.900 5.248 3.230 5.909 . 0 0 "[ . 1 . 2]" 1
404 1 19 GLU HA 1 24 ASN HD22 5.300 . 7.900 5.515 4.949 6.108 . 0 0 "[ . 1 . 2]" 1
405 1 19 GLU QB 1 20 ASP H 4.100 . 5.300 2.658 2.525 2.772 . 0 0 "[ . 1 . 2]" 1
406 1 19 GLU QB 1 24 ASN H 4.500 . 6.300 3.968 3.852 4.198 . 0 0 "[ . 1 . 2]" 1
407 1 19 GLU QB 1 24 ASN HB2 4.700 . 6.600 2.161 1.982 2.570 . 0 0 "[ . 1 . 2]" 1
408 1 19 GLU QB 1 27 GLU QG 4.400 . 5.700 3.885 3.520 4.135 . 0 0 "[ . 1 . 2]" 1
409 1 19 GLU HB2 1 24 ASN HB3 4.500 . 5.800 4.139 3.810 4.334 . 0 0 "[ . 1 . 2]" 1
410 1 19 GLU HB3 1 24 ASN HB3 4.500 . 5.800 2.486 2.089 2.728 . 0 0 "[ . 1 . 2]" 1
411 1 19 GLU QG 1 31 LEU HG 4.100 . 5.300 3.871 3.153 4.673 . 0 0 "[ . 1 . 2]" 1
412 1 20 ASP H 1 20 ASP HB2 3.800 . 4.800 2.159 2.066 2.342 . 0 0 "[ . 1 . 2]" 1
413 1 20 ASP H 1 20 ASP QB 3.300 . 4.000 2.110 2.044 2.216 . 0 0 "[ . 1 . 2]" 1
414 1 20 ASP H 1 20 ASP HB3 3.800 . 4.800 3.055 2.738 3.476 . 0 0 "[ . 1 . 2]" 1
415 1 20 ASP H 1 21 LYS H 3.800 . 4.800 2.774 2.726 2.852 . 0 0 "[ . 1 . 2]" 1
416 1 20 ASP H 1 21 LYS QB 5.000 . 7.500 4.671 4.422 5.144 . 0 0 "[ . 1 . 2]" 1
417 1 20 ASP H 1 22 ALA H 4.800 . 6.700 4.014 3.835 4.216 . 0 0 "[ . 1 . 2]" 1
418 1 20 ASP H 1 28 ALA MB 3.800 . 4.800 3.121 2.686 3.447 . 0 0 "[ . 1 . 2]" 1
419 1 20 ASP HA 1 23 LYS H 4.500 . 5.800 4.239 3.997 4.515 . 0 0 "[ . 1 . 2]" 1
420 1 20 ASP HA 1 24 ASN H 4.600 . 6.400 2.991 2.549 3.473 . 0 0 "[ . 1 . 2]" 1
421 1 20 ASP HA 1 25 TYR QD 4.400 . 5.700 4.399 3.769 4.705 . 0 0 "[ . 1 . 2]" 1
422 1 20 ASP HA 1 25 TYR QE 4.800 . 6.700 4.712 4.209 4.997 . 0 0 "[ . 1 . 2]" 1
423 1 20 ASP HA 1 28 ALA MB 3.900 . 4.900 3.107 2.826 3.274 . 0 0 "[ . 1 . 2]" 1
424 1 20 ASP QB 1 21 LYS H 3.500 . 4.400 2.710 2.423 2.945 . 0 0 "[ . 1 . 2]" 1
425 1 20 ASP QB 1 22 ALA H 5.000 . 7.000 4.528 4.323 4.706 . 0 0 "[ . 1 . 2]" 1
426 1 20 ASP QB 1 28 ALA MB 3.600 . 4.500 3.048 2.594 3.627 . 0 0 "[ . 1 . 2]" 1
427 1 20 ASP QB 1 32 TYR QE 4.400 . 5.700 3.716 3.168 4.275 . 0 0 "[ . 1 . 2]" 1
428 1 20 ASP QB 1 70 LEU QD 5.000 . 7.000 3.349 2.922 3.663 . 0 0 "[ . 1 . 2]" 1
429 1 20 ASP HB2 1 21 LYS H 4.300 . 5.600 3.520 2.903 3.872 . 0 0 "[ . 1 . 2]" 1
430 1 20 ASP HB2 1 28 ALA MB 4.400 . 5.700 3.115 2.627 3.803 . 0 0 "[ . 1 . 2]" 1
431 1 20 ASP HB3 1 21 LYS H 4.300 . 5.600 2.848 2.469 3.428 . 0 0 "[ . 1 . 2]" 1
432 1 20 ASP HB3 1 28 ALA MB 4.400 . 5.700 4.383 4.008 4.590 . 0 0 "[ . 1 . 2]" 1
433 1 21 LYS H 1 21 LYS QB 3.200 . 3.800 2.241 2.064 2.599 . 0 0 "[ . 1 . 2]" 1
434 1 21 LYS H 1 21 LYS QD 3.600 . 4.500 3.099 2.554 3.409 . 0 0 "[ . 1 . 2]" 1
435 1 21 LYS H 1 22 ALA H 3.600 . 4.500 2.479 2.463 2.508 . 0 0 "[ . 1 . 2]" 1
436 1 21 LYS HA 1 21 LYS QD 4.800 . 6.700 3.767 2.930 4.337 . 0 0 "[ . 1 . 2]" 1
437 1 21 LYS HA 1 21 LYS HG2 4.200 . 5.500 3.218 2.870 3.664 . 0 0 "[ . 1 . 2]" 1
438 1 21 LYS HA 1 21 LYS QG 3.600 . 4.500 2.391 2.049 3.343 . 0 0 "[ . 1 . 2]" 1
439 1 21 LYS HA 1 21 LYS HG3 4.200 . 5.500 2.545 2.073 3.962 . 0 0 "[ . 1 . 2]" 1
440 1 21 LYS HA 1 23 LYS H 4.800 . 6.700 3.549 3.464 3.639 . 0 0 "[ . 1 . 2]" 1
441 1 21 LYS QB 1 22 ALA H 3.700 . 4.600 3.141 2.925 3.728 . 0 0 "[ . 1 . 2]" 1
442 1 21 LYS QB 1 22 ALA MB 4.600 . 6.400 3.905 3.620 4.533 . 0 0 "[ . 1 . 2]" 1
443 1 21 LYS QD 1 22 ALA H 5.500 . 8.300 4.740 4.473 4.952 . 0 0 "[ . 1 . 2]" 1
444 1 21 LYS HG2 1 22 ALA H 5.200 . 7.800 4.878 2.614 5.527 . 0 0 "[ . 1 . 2]" 1
445 1 21 LYS HG3 1 22 ALA H 5.200 . 7.800 4.608 3.287 5.032 . 0 0 "[ . 1 . 2]" 1
446 1 22 ALA H 1 22 ALA MB 3.000 . 3.600 2.326 2.292 2.345 . 0 0 "[ . 1 . 2]" 1
447 1 22 ALA H 1 23 LYS H 3.500 . 4.400 2.796 2.762 2.831 . 0 0 "[ . 1 . 2]" 1
448 1 22 ALA H 1 23 LYS HA 5.000 . 7.500 4.811 4.795 4.840 . 0 0 "[ . 1 . 2]" 1
449 1 22 ALA H 1 24 ASN H 4.500 . 5.800 3.531 3.258 3.822 . 0 0 "[ . 1 . 2]" 1
450 1 22 ALA MB 1 23 LYS H 4.000 . 5.000 3.600 3.580 3.614 . 0 0 "[ . 1 . 2]" 1
451 1 22 ALA MB 1 23 LYS HA 5.000 . 7.000 4.973 4.955 4.985 . 0 0 "[ . 1 . 2]" 1
452 1 22 ALA MB 1 24 ASN H 3.700 . 4.600 3.746 3.332 4.179 . 0 0 "[ . 1 . 2]" 1
453 1 22 ALA MB 1 24 ASN HB2 4.800 . 6.700 3.241 2.733 3.807 . 0 0 "[ . 1 . 2]" 1
454 1 22 ALA MB 1 24 ASN HB3 4.100 . 5.300 4.579 4.260 4.874 . 0 0 "[ . 1 . 2]" 1
455 1 22 ALA MB 1 24 ASN HD21 5.100 . 7.600 4.695 2.009 5.406 . 0 0 "[ . 1 . 2]" 1
456 1 22 ALA MB 1 24 ASN QD 4.300 . 5.600 3.932 1.989 4.634 . 0 0 "[ . 1 . 2]" 1
457 1 22 ALA MB 1 24 ASN HD22 5.100 . 7.600 4.323 3.187 5.042 . 0 0 "[ . 1 . 2]" 1
458 1 23 LYS H 1 23 LYS QG 4.100 . 5.300 3.282 2.688 4.081 . 0 0 "[ . 1 . 2]" 1
459 1 23 LYS H 1 24 ASN H 3.600 . 4.500 2.792 2.700 2.921 . 0 0 "[ . 1 . 2]" 1
460 1 23 LYS H 1 25 TYR H 5.200 . 7.800 5.068 4.880 5.260 . 0 0 "[ . 1 . 2]" 1
461 1 23 LYS H 1 25 TYR QE 4.600 . 6.400 4.389 4.115 5.008 . 0 0 "[ . 1 . 2]" 1
462 1 23 LYS HA 1 25 TYR QE 3.600 . 4.500 2.724 2.341 3.415 . 0 0 "[ . 1 . 2]" 1
463 1 23 LYS QB 1 23 LYS QD 3.300 . 4.000 2.069 1.922 2.216 . 0 0 "[ . 1 . 2]" 1
464 1 23 LYS QB 1 24 ASN H 4.300 . 5.600 3.870 3.787 3.964 . 0 0 "[ . 1 . 2]" 1
465 1 23 LYS QB 1 25 TYR QE 4.300 . 5.600 4.263 3.576 4.982 . 0 0 "[ . 1 . 2]" 1
466 1 23 LYS HB2 1 24 ASN H 5.000 . 7.000 4.404 4.152 4.619 . 0 0 "[ . 1 . 2]" 1
467 1 23 LYS HB3 1 24 ASN H 5.000 . 7.000 4.305 4.082 4.401 . 0 0 "[ . 1 . 2]" 1
468 1 23 LYS QD 1 25 TYR QE 4.300 . 5.600 3.790 2.658 4.629 . 0 0 "[ . 1 . 2]" 1
469 1 23 LYS QE 1 25 TYR QE 3.800 . 4.800 3.277 2.010 4.607 . 0 0 "[ . 1 . 2]" 1
470 1 23 LYS QG 1 24 ASN H 4.800 . 6.700 4.516 4.250 4.720 . 0 0 "[ . 1 . 2]" 1
471 1 23 LYS QG 1 25 TYR QE 4.200 . 5.400 3.142 2.196 4.215 . 0 0 "[ . 1 . 2]" 1
472 1 24 ASN H 1 24 ASN HB2 3.800 . 4.700 2.456 2.337 2.581 . 0 0 "[ . 1 . 2]" 1
473 1 24 ASN H 1 24 ASN HB3 3.600 . 4.500 3.633 3.480 3.742 . 0 0 "[ . 1 . 2]" 1
474 1 24 ASN H 1 25 TYR H 4.000 . 5.200 2.946 2.861 3.072 . 0 0 "[ . 1 . 2]" 1
475 1 24 ASN H 1 25 TYR QD 4.800 . 6.700 3.949 3.569 4.489 . 0 0 "[ . 1 . 2]" 1
476 1 24 ASN H 1 25 TYR QE 4.900 . 6.800 4.685 4.529 5.108 . 0 0 "[ . 1 . 2]" 1
477 1 24 ASN HA 1 25 TYR H 3.100 . 3.700 2.722 2.720 2.724 . 0 0 "[ . 1 . 2]" 1
478 1 24 ASN HA 1 26 GLU H 4.400 . 5.700 3.341 3.220 3.577 . 0 0 "[ . 1 . 2]" 1
479 1 24 ASN HB2 1 27 GLU H 4.700 . 6.600 4.615 4.399 4.859 . 0 0 "[ . 1 . 2]" 1
480 1 24 ASN HB2 1 27 GLU QG 4.100 . 5.300 5.021 4.619 5.273 . 0 0 "[ . 1 . 2]" 1
481 1 24 ASN HB2 1 28 ALA H 4.600 . 6.400 4.295 3.993 4.615 . 0 0 "[ . 1 . 2]" 1
482 1 24 ASN HB2 1 28 ALA MB 4.500 . 6.300 4.129 3.722 4.531 . 0 0 "[ . 1 . 2]" 1
483 1 24 ASN HB3 1 25 TYR H 4.400 . 5.700 4.372 4.328 4.412 . 0 0 "[ . 1 . 2]" 1
484 1 24 ASN HB3 1 27 GLU HB2 4.700 . 6.600 2.680 2.106 3.086 . 0 0 "[ . 1 . 2]" 1
485 1 24 ASN HB3 1 27 GLU QG 4.900 . 6.900 3.844 3.470 4.059 . 0 0 "[ . 1 . 2]" 1
486 1 24 ASN QD 1 27 GLU HB2 4.000 . 5.000 2.810 2.178 4.778 . 0 0 "[ . 1 . 2]" 1
487 1 24 ASN QD 1 27 GLU HB3 4.200 . 5.500 3.480 2.568 4.982 . 0 0 "[ . 1 . 2]" 1
488 1 24 ASN QD 1 27 GLU QG 4.200 . 5.500 4.023 3.058 5.500 0.000 18 0 "[ . 1 . 2]" 1
489 1 24 ASN HD21 1 27 GLU HB2 4.600 . 6.400 2.925 2.190 5.423 . 0 0 "[ . 1 . 2]" 1
490 1 24 ASN HD21 1 27 GLU HB3 5.000 . 7.500 3.598 2.590 5.475 . 0 0 "[ . 1 . 2]" 1
491 1 24 ASN HD22 1 27 GLU HB2 4.600 . 6.400 4.209 3.734 5.308 . 0 0 "[ . 1 . 2]" 1
492 1 24 ASN HD22 1 27 GLU HB3 5.000 . 7.500 4.864 4.227 5.785 . 0 0 "[ . 1 . 2]" 1
493 1 25 TYR H 1 25 TYR HB2 3.800 . 4.800 2.467 2.318 2.611 . 0 0 "[ . 1 . 2]" 1
494 1 25 TYR H 1 25 TYR HB3 3.800 . 4.800 3.585 3.560 3.594 . 0 0 "[ . 1 . 2]" 1
495 1 25 TYR H 1 25 TYR QD 4.100 . 5.300 2.056 1.992 2.590 . 0 0 "[ . 1 . 2]" 1
496 1 25 TYR H 1 26 GLU H 3.600 . 4.500 2.788 2.742 2.870 . 0 0 "[ . 1 . 2]" 1
497 1 25 TYR H 1 27 GLU H 4.900 . 6.900 4.443 4.215 4.596 . 0 0 "[ . 1 . 2]" 1
498 1 25 TYR H 1 28 ALA MB 4.200 . 5.500 4.416 4.257 4.555 . 0 0 "[ . 1 . 2]" 1
499 1 25 TYR H 1 70 LEU QD 5.200 . 7.800 4.929 4.380 5.273 . 0 0 "[ . 1 . 2]" 1
500 1 25 TYR H 1 74 LEU QD 4.600 . 6.400 4.775 4.355 5.186 . 0 0 "[ . 1 . 2]" 1
501 1 25 TYR HA 1 25 TYR QD 3.300 . 4.000 3.015 2.647 3.084 . 0 0 "[ . 1 . 2]" 1
502 1 25 TYR HA 1 25 TYR QE 4.800 . 6.700 4.639 4.504 4.698 . 0 0 "[ . 1 . 2]" 1
503 1 25 TYR HA 1 26 GLU QG 5.500 . 8.300 5.368 4.894 5.805 . 0 0 "[ . 1 . 2]" 1
504 1 25 TYR HA 1 28 ALA H 4.100 . 5.300 3.516 3.382 3.698 . 0 0 "[ . 1 . 2]" 1
505 1 25 TYR HA 1 28 ALA MB 3.200 . 3.800 2.480 2.313 2.706 . 0 0 "[ . 1 . 2]" 1
506 1 25 TYR HA 1 29 LEU H 4.900 . 6.900 4.198 4.002 4.361 . 0 0 "[ . 1 . 2]" 1
507 1 25 TYR HA 1 70 LEU MD1 4.300 . 5.600 4.104 3.627 4.692 . 0 0 "[ . 1 . 2]" 1
508 1 25 TYR HA 1 70 LEU MD2 4.300 . 5.600 2.938 2.188 3.540 . 0 0 "[ . 1 . 2]" 1
509 1 25 TYR HA 1 74 LEU QD 5.200 . 7.800 4.042 3.770 4.452 . 0 0 "[ . 1 . 2]" 1
510 1 25 TYR QB 1 26 GLU H 3.800 . 4.700 2.713 2.507 2.829 . 0 0 "[ . 1 . 2]" 1
511 1 25 TYR QB 1 29 LEU QD 5.200 . 7.800 4.686 4.448 5.113 . 0 0 "[ . 1 . 2]" 1
512 1 25 TYR QB 1 70 LEU QD 4.100 . 5.300 3.358 2.710 3.714 . 0 0 "[ . 1 . 2]" 1
513 1 25 TYR QB 1 74 LEU QD 3.500 . 4.400 2.426 2.009 2.751 . 0 0 "[ . 1 . 2]" 1
514 1 25 TYR HB2 1 26 GLU H 4.300 . 5.600 2.793 2.555 2.932 . 0 0 "[ . 1 . 2]" 1
515 1 25 TYR HB3 1 26 GLU H 4.300 . 5.600 3.691 3.319 3.901 . 0 0 "[ . 1 . 2]" 1
516 1 25 TYR QD 1 26 GLU H 4.800 . 6.700 4.169 3.906 4.335 . 0 0 "[ . 1 . 2]" 1
517 1 25 TYR QD 1 28 ALA MB 4.400 . 5.700 4.329 4.046 4.492 . 0 0 "[ . 1 . 2]" 1
518 1 25 TYR QD 1 70 LEU MD1 4.500 . 5.800 4.456 3.962 4.944 . 0 0 "[ . 1 . 2]" 1
519 1 25 TYR QD 1 70 LEU QD 3.500 . 4.200 2.264 1.925 2.753 . 0 0 "[ . 1 . 2]" 1
520 1 25 TYR QD 1 70 LEU MD2 4.500 . 5.800 2.271 1.926 2.769 . 0 0 "[ . 1 . 2]" 1
521 1 25 TYR QD 1 73 TYR QD 3.600 . 4.500 3.494 3.100 3.836 . 0 0 "[ . 1 . 2]" 1
522 1 25 TYR QD 1 74 LEU QD 4.300 . 5.600 3.941 3.546 4.280 . 0 0 "[ . 1 . 2]" 1
523 1 25 TYR QE 1 70 LEU QD 4.000 . 5.200 3.083 2.736 3.555 . 0 0 "[ . 1 . 2]" 1
524 1 26 GLU H 1 26 GLU HB2 3.800 . 4.700 2.615 2.110 3.593 . 0 0 "[ . 1 . 2]" 1
525 1 26 GLU H 1 26 GLU QB 3.200 . 3.800 2.297 2.091 2.612 . 0 0 "[ . 1 . 2]" 1
526 1 26 GLU H 1 26 GLU HB3 3.800 . 4.700 3.236 2.619 3.593 . 0 0 "[ . 1 . 2]" 1
527 1 26 GLU H 1 26 GLU QG 3.800 . 4.700 2.624 1.967 3.132 . 0 0 "[ . 1 . 2]" 1
528 1 26 GLU H 1 27 GLU H 3.400 . 4.100 2.675 2.584 2.789 . 0 0 "[ . 1 . 2]" 1
529 1 26 GLU H 1 27 GLU HB2 5.200 . 7.800 4.769 4.589 4.976 . 0 0 "[ . 1 . 2]" 1
530 1 26 GLU H 1 28 ALA H 4.600 . 6.400 3.994 3.838 4.181 . 0 0 "[ . 1 . 2]" 1
531 1 26 GLU H 1 28 ALA MB 5.100 . 7.700 4.615 4.444 4.823 . 0 0 "[ . 1 . 2]" 1
532 1 26 GLU H 1 74 LEU MD1 5.200 . 7.800 5.342 4.508 5.842 . 0 0 "[ . 1 . 2]" 1
533 1 26 GLU H 1 74 LEU QD 3.900 . 4.900 3.381 2.821 3.859 . 0 0 "[ . 1 . 2]" 1
534 1 26 GLU H 1 74 LEU MD2 5.200 . 7.800 3.419 2.850 3.936 . 0 0 "[ . 1 . 2]" 1
535 1 26 GLU H 1 74 LEU HG 5.500 . 8.300 6.329 5.826 6.763 . 0 0 "[ . 1 . 2]" 1
536 1 26 GLU HA 1 26 GLU QG 3.500 . 4.400 2.599 2.148 3.392 . 0 0 "[ . 1 . 2]" 1
537 1 26 GLU HA 1 29 LEU H 4.200 . 5.500 3.733 3.637 3.839 . 0 0 "[ . 1 . 2]" 1
538 1 26 GLU HA 1 29 LEU HB2 4.500 . 6.300 3.539 3.264 3.888 . 0 0 "[ . 1 . 2]" 1
539 1 26 GLU HA 1 29 LEU HB3 4.500 . 6.300 3.515 3.306 3.693 . 0 0 "[ . 1 . 2]" 1
540 1 26 GLU HA 1 74 LEU MD1 4.300 . 5.600 3.967 3.573 4.312 . 0 0 "[ . 1 . 2]" 1
541 1 26 GLU HA 1 74 LEU QD 3.000 . 3.600 2.258 1.967 2.503 . 0 0 "[ . 1 . 2]" 1
542 1 26 GLU HA 1 74 LEU MD2 4.300 . 5.600 2.272 1.972 2.521 . 0 0 "[ . 1 . 2]" 1
543 1 26 GLU QB 1 27 GLU H 3.300 . 4.000 2.774 2.437 3.401 . 0 0 "[ . 1 . 2]" 1
544 1 26 GLU HB2 1 27 GLU H 3.900 . 4.900 2.961 2.482 3.678 . 0 0 "[ . 1 . 2]" 1
545 1 26 GLU HB3 1 27 GLU H 3.900 . 4.900 3.379 2.924 4.024 . 0 0 "[ . 1 . 2]" 1
546 1 26 GLU QG 1 27 GLU H 4.200 . 5.500 3.576 1.969 4.378 . 0 0 "[ . 1 . 2]" 1
547 1 26 GLU QG 1 27 GLU HA 5.500 . 8.300 5.252 3.561 5.809 . 0 0 "[ . 1 . 2]" 1
548 1 26 GLU QG 1 74 LEU MD1 4.000 . 5.000 3.791 3.061 5.001 0.001 5 0 "[ . 1 . 2]" 1
549 1 26 GLU QG 1 74 LEU QD 3.400 . 4.100 2.837 2.173 4.008 . 0 0 "[ . 1 . 2]" 1
550 1 26 GLU QG 1 74 LEU MD2 4.000 . 5.000 2.940 2.224 4.220 . 0 0 "[ . 1 . 2]" 1
551 1 27 GLU H 1 27 GLU HB2 3.400 . 4.100 2.264 2.190 2.394 . 0 0 "[ . 1 . 2]" 1
552 1 27 GLU H 1 27 GLU HB3 3.400 . 4.100 2.848 2.691 2.970 . 0 0 "[ . 1 . 2]" 1
553 1 27 GLU H 1 27 GLU HG2 4.600 . 6.400 4.649 4.617 4.668 . 0 0 "[ . 1 . 2]" 1
554 1 27 GLU H 1 27 GLU QG 4.000 . 5.000 4.013 3.943 4.041 . 0 0 "[ . 1 . 2]" 1
555 1 27 GLU H 1 27 GLU HG3 4.600 . 6.400 4.387 4.250 4.450 . 0 0 "[ . 1 . 2]" 1
556 1 27 GLU H 1 28 ALA H 3.500 . 4.400 2.568 2.495 2.640 . 0 0 "[ . 1 . 2]" 1
557 1 27 GLU H 1 28 ALA MB 4.200 . 5.500 4.215 4.127 4.292 . 0 0 "[ . 1 . 2]" 1
558 1 27 GLU H 1 29 LEU H 4.800 . 6.700 4.073 3.982 4.216 . 0 0 "[ . 1 . 2]" 1
559 1 27 GLU HA 1 29 LEU H 5.300 . 7.900 4.106 4.014 4.233 . 0 0 "[ . 1 . 2]" 1
560 1 27 GLU HA 1 30 ARG H 4.400 . 5.700 3.482 3.378 3.604 . 0 0 "[ . 1 . 2]" 1
561 1 27 GLU HA 1 30 ARG QB 4.200 . 5.500 3.088 2.924 3.335 . 0 0 "[ . 1 . 2]" 1
562 1 27 GLU HB2 1 28 ALA H 3.700 . 4.600 3.619 3.485 3.749 . 0 0 "[ . 1 . 2]" 1
563 1 27 GLU HB3 1 28 ALA H 4.100 . 5.300 2.687 2.590 2.886 . 0 0 "[ . 1 . 2]" 1
564 1 27 GLU QG 1 31 LEU H 5.200 . 7.800 4.204 3.996 4.406 . 0 0 "[ . 1 . 2]" 1
565 1 27 GLU QG 1 31 LEU HG 3.900 . 4.900 3.594 3.450 3.783 . 0 0 "[ . 1 . 2]" 1
566 1 27 GLU HG2 1 28 ALA H 4.400 . 5.700 4.716 4.300 4.971 . 0 0 "[ . 1 . 2]" 1
567 1 27 GLU HG2 1 31 LEU HG 4.700 . 6.600 4.026 3.646 4.353 . 0 0 "[ . 1 . 2]" 1
568 1 27 GLU HG3 1 28 ALA H 4.400 . 5.700 4.537 4.317 4.746 . 0 0 "[ . 1 . 2]" 1
569 1 27 GLU HG3 1 31 LEU HG 4.700 . 6.600 4.109 3.768 4.738 . 0 0 "[ . 1 . 2]" 1
570 1 28 ALA H 1 28 ALA MB 3.200 . 3.800 2.188 2.079 2.238 . 0 0 "[ . 1 . 2]" 1
571 1 28 ALA H 1 29 LEU H 3.900 . 4.900 2.686 2.596 2.726 . 0 0 "[ . 1 . 2]" 1
572 1 28 ALA H 1 30 ARG H 4.900 . 6.900 4.420 4.289 4.609 . 0 0 "[ . 1 . 2]" 1
573 1 28 ALA H 1 31 LEU HG 5.500 . 8.300 5.721 5.525 6.008 . 0 0 "[ . 1 . 2]" 1
574 1 28 ALA H 1 70 LEU QD 5.400 . 8.100 4.307 3.950 4.538 . 0 0 "[ . 1 . 2]" 1
575 1 28 ALA HA 1 30 ARG QB 4.700 . 6.600 5.332 5.131 5.462 . 0 0 "[ . 1 . 2]" 1
576 1 28 ALA HA 1 31 LEU H 4.300 . 5.600 3.360 3.254 3.454 . 0 0 "[ . 1 . 2]" 1
577 1 28 ALA HA 1 31 LEU QB 3.900 . 4.900 2.272 2.167 2.456 . 0 0 "[ . 1 . 2]" 1
578 1 28 ALA HA 1 31 LEU HG 4.200 . 5.500 3.906 3.786 4.065 . 0 0 "[ . 1 . 2]" 1
579 1 28 ALA MB 1 29 LEU H 3.600 . 4.500 2.715 2.596 2.787 . 0 0 "[ . 1 . 2]" 1
580 1 28 ALA MB 1 31 LEU H 4.300 . 5.600 4.541 4.459 4.594 . 0 0 "[ . 1 . 2]" 1
581 1 28 ALA MB 1 31 LEU QD 4.800 . 6.700 4.585 4.485 4.671 . 0 0 "[ . 1 . 2]" 1
582 1 28 ALA MB 1 31 LEU HG 5.500 . 8.300 5.162 5.048 5.298 . 0 0 "[ . 1 . 2]" 1
583 1 28 ALA MB 1 32 TYR QD 3.900 . 4.900 2.597 2.302 2.903 . 0 0 "[ . 1 . 2]" 1
584 1 28 ALA MB 1 32 TYR QE 3.600 . 4.500 3.116 2.533 3.802 . 0 0 "[ . 1 . 2]" 1
585 1 28 ALA MB 1 70 LEU MD1 3.900 . 4.900 2.159 1.936 2.464 . 0 0 "[ . 1 . 2]" 1
586 1 28 ALA MB 1 70 LEU QD 3.300 . 4.000 2.045 1.900 2.261 . 0 0 "[ . 1 . 2]" 1
587 1 28 ALA MB 1 70 LEU MD2 3.900 . 4.900 2.700 2.256 3.205 . 0 0 "[ . 1 . 2]" 1
588 1 29 LEU H 1 29 LEU HB2 3.500 . 4.200 2.430 2.303 2.568 . 0 0 "[ . 1 . 2]" 1
589 1 29 LEU H 1 29 LEU HB3 3.500 . 4.200 2.597 2.453 2.745 . 0 0 "[ . 1 . 2]" 1
590 1 29 LEU H 1 29 LEU QD 4.200 . 5.500 3.666 3.587 3.730 . 0 0 "[ . 1 . 2]" 1
591 1 29 LEU H 1 29 LEU HG 4.500 . 6.300 4.475 4.432 4.530 . 0 0 "[ . 1 . 2]" 1
592 1 29 LEU H 1 30 ARG H 3.700 . 4.600 2.715 2.633 2.802 . 0 0 "[ . 1 . 2]" 1
593 1 29 LEU H 1 30 ARG QB 4.900 . 6.900 4.569 4.429 4.726 . 0 0 "[ . 1 . 2]" 1
594 1 29 LEU H 1 31 LEU H 4.800 . 6.700 3.928 3.863 4.050 . 0 0 "[ . 1 . 2]" 1
595 1 29 LEU H 1 32 TYR QD 5.100 . 7.600 4.812 4.367 5.213 . 0 0 "[ . 1 . 2]" 1
596 1 29 LEU H 1 70 LEU MD1 4.600 . 6.400 3.645 3.156 3.991 . 0 0 "[ . 1 . 2]" 1
597 1 29 LEU H 1 70 LEU QD 4.000 . 5.200 3.516 3.092 3.727 . 0 0 "[ . 1 . 2]" 1
598 1 29 LEU H 1 70 LEU MD2 4.600 . 6.400 4.724 4.181 5.327 . 0 0 "[ . 1 . 2]" 1
599 1 29 LEU HA 1 29 LEU QD 3.400 . 4.100 2.268 1.966 2.534 . 0 0 "[ . 1 . 2]" 1
600 1 29 LEU HA 1 32 TYR QD 4.100 . 5.300 3.927 3.350 4.368 . 0 0 "[ . 1 . 2]" 1
601 1 29 LEU HA 1 70 LEU MD1 4.600 . 6.500 2.618 2.187 2.964 . 0 0 "[ . 1 . 2]" 1
602 1 29 LEU HA 1 70 LEU QD 3.800 . 4.700 2.607 2.183 2.947 . 0 0 "[ . 1 . 2]" 1
603 1 29 LEU HA 1 70 LEU MD2 4.600 . 6.500 4.874 4.452 5.242 . 0 0 "[ . 1 . 2]" 1
604 1 29 LEU QB 1 30 ARG H 3.600 . 4.500 2.443 2.262 2.578 . 0 0 "[ . 1 . 2]" 1
605 1 29 LEU QD 1 30 ARG H 4.800 . 6.700 3.758 3.488 3.955 . 0 0 "[ . 1 . 2]" 1
606 1 29 LEU QD 1 33 GLN H 5.500 . 8.300 4.614 4.004 4.947 . 0 0 "[ . 1 . 2]" 1
607 1 29 LEU QD 1 33 GLN HE21 4.300 . 5.600 3.541 2.623 4.943 . 0 0 "[ . 1 . 2]" 1
608 1 29 LEU QD 1 33 GLN HE22 4.300 . 5.600 4.077 3.466 5.269 . 0 0 "[ . 1 . 2]" 1
609 1 29 LEU QD 1 33 GLN HG2 4.500 . 6.300 4.221 3.243 4.728 . 0 0 "[ . 1 . 2]" 1
610 1 29 LEU QD 1 33 GLN QG 3.900 . 4.900 3.296 2.463 3.911 . 0 0 "[ . 1 . 2]" 1
611 1 29 LEU QD 1 33 GLN HG3 4.500 . 6.300 3.509 2.518 5.304 . 0 0 "[ . 1 . 2]" 1
612 1 29 LEU QD 1 67 ALA H 5.500 . 8.300 5.093 4.764 5.486 . 0 0 "[ . 1 . 2]" 1
613 1 29 LEU QD 1 67 ALA HA 4.000 . 5.200 3.050 2.836 3.416 . 0 0 "[ . 1 . 2]" 1
614 1 29 LEU QD 1 67 ALA MB 3.100 . 3.700 2.728 2.207 3.338 . 0 0 "[ . 1 . 2]" 1
615 1 29 LEU QD 1 69 LYS H 5.500 . 8.300 5.063 4.681 5.526 . 0 0 "[ . 1 . 2]" 1
616 1 29 LEU QD 1 70 LEU QB 4.300 . 5.600 2.310 1.915 3.134 . 0 0 "[ . 1 . 2]" 1
617 1 29 LEU QD 1 71 LYS H 4.100 . 5.300 2.461 2.046 2.979 . 0 0 "[ . 1 . 2]" 1
618 1 29 LEU QD 1 71 LYS QD 3.900 . 4.900 3.023 2.097 3.416 . 0 0 "[ . 1 . 2]" 1
619 1 29 LEU QD 1 71 LYS QE 3.900 . 4.900 2.284 1.874 2.698 . 0 0 "[ . 1 . 2]" 1
620 1 29 LEU HG 1 30 ARG H 4.500 . 5.800 3.930 3.455 4.242 . 0 0 "[ . 1 . 2]" 1
621 1 29 LEU HG 1 30 ARG QD 3.800 . 4.700 4.062 3.409 4.562 . 0 0 "[ . 1 . 2]" 1
622 1 29 LEU HG 1 33 GLN H 5.500 . 8.300 4.658 4.470 4.810 . 0 0 "[ . 1 . 2]" 1
623 1 29 LEU HG 1 33 GLN QE 4.300 . 5.600 3.439 2.463 4.913 . 0 0 "[ . 1 . 2]" 1
624 1 29 LEU HG 1 33 GLN QG 4.500 . 5.800 3.038 2.598 3.788 . 0 0 "[ . 1 . 2]" 1
625 1 29 LEU HG 1 71 LYS QE 5.500 . 8.300 4.347 3.769 4.696 . 0 0 "[ . 1 . 2]" 1
626 1 29 LEU HG 1 71 LYS QG 5.100 . 7.700 4.381 3.552 5.319 . 0 0 "[ . 1 . 2]" 1
627 1 30 ARG H 1 30 ARG QB 3.200 . 3.900 2.226 2.082 2.405 . 0 0 "[ . 1 . 2]" 1
628 1 30 ARG H 1 30 ARG HG2 4.400 . 5.700 3.561 2.329 4.459 . 0 0 "[ . 1 . 2]" 1
629 1 30 ARG H 1 30 ARG QG 3.800 . 4.800 3.127 2.298 3.731 . 0 0 "[ . 1 . 2]" 1
630 1 30 ARG H 1 30 ARG HG3 4.400 . 5.700 3.748 3.461 4.060 . 0 0 "[ . 1 . 2]" 1
631 1 30 ARG H 1 31 LEU H 3.500 . 4.400 2.495 2.418 2.589 . 0 0 "[ . 1 . 2]" 1
632 1 30 ARG H 1 31 LEU HG 5.500 . 8.300 6.237 6.097 6.395 . 0 0 "[ . 1 . 2]" 1
633 1 30 ARG H 1 32 TYR H 4.900 . 6.800 4.120 3.928 4.296 . 0 0 "[ . 1 . 2]" 1
634 1 30 ARG H 1 70 LEU QD 5.300 . 8.000 5.139 4.801 5.336 . 0 0 "[ . 1 . 2]" 1
635 1 30 ARG HA 1 30 ARG HG2 3.800 . 4.700 3.216 2.613 3.623 . 0 0 "[ . 1 . 2]" 1
636 1 30 ARG HA 1 30 ARG QG 3.300 . 4.000 2.401 2.049 2.790 . 0 0 "[ . 1 . 2]" 1
637 1 30 ARG HA 1 30 ARG HG3 3.800 . 4.700 2.823 2.068 3.773 . 0 0 "[ . 1 . 2]" 1
638 1 30 ARG HA 1 33 GLN HB2 4.900 . 6.900 2.776 2.516 4.855 . 0 0 "[ . 1 . 2]" 1
639 1 30 ARG HA 1 33 GLN QB 4.200 . 5.500 2.704 2.491 3.976 . 0 0 "[ . 1 . 2]" 1
640 1 30 ARG HA 1 33 GLN HB3 4.900 . 6.900 4.179 3.756 4.434 . 0 0 "[ . 1 . 2]" 1
641 1 30 ARG QB 1 30 ARG HE 4.500 . 5.800 3.651 2.583 4.400 . 0 0 "[ . 1 . 2]" 1
642 1 30 ARG QB 1 31 LEU H 3.700 . 4.600 2.781 2.658 2.838 . 0 0 "[ . 1 . 2]" 1
643 1 30 ARG QB 1 31 LEU QD 4.500 . 6.300 2.831 2.605 2.949 . 0 0 "[ . 1 . 2]" 1
644 1 30 ARG QB 1 32 TYR H 5.400 . 8.100 4.793 4.613 4.975 . 0 0 "[ . 1 . 2]" 1
645 1 30 ARG QD 1 31 LEU QD 5.300 . 8.000 4.757 4.442 5.105 . 0 0 "[ . 1 . 2]" 1
646 1 31 LEU H 1 31 LEU QB 3.600 . 4.500 2.107 2.085 2.150 . 0 0 "[ . 1 . 2]" 1
647 1 31 LEU H 1 31 LEU QD 3.900 . 4.900 2.360 2.079 2.599 . 0 0 "[ . 1 . 2]" 1
648 1 31 LEU H 1 31 LEU HG 4.100 . 5.300 4.080 3.988 4.171 . 0 0 "[ . 1 . 2]" 1
649 1 31 LEU H 1 32 TYR H 3.800 . 4.700 2.578 2.522 2.684 . 0 0 "[ . 1 . 2]" 1
650 1 31 LEU H 1 32 TYR QD 5.200 . 7.800 5.072 4.708 5.341 . 0 0 "[ . 1 . 2]" 1
651 1 31 LEU HA 1 31 LEU QD 3.200 . 3.800 1.991 1.861 2.075 . 0 0 "[ . 1 . 2]" 1
652 1 31 LEU HA 1 34 HIS H 4.200 . 5.500 3.680 3.531 3.781 . 0 0 "[ . 1 . 2]" 1
653 1 31 LEU HA 1 34 HIS QB 4.200 . 5.500 2.768 2.578 2.920 . 0 0 "[ . 1 . 2]" 1
654 1 31 LEU QB 1 32 TYR H 3.800 . 4.700 2.705 2.526 2.870 . 0 0 "[ . 1 . 2]" 1
655 1 31 LEU HB2 1 32 TYR H 4.400 . 5.700 2.911 2.712 3.057 . 0 0 "[ . 1 . 2]" 1
656 1 31 LEU HB3 1 32 TYR H 4.400 . 5.700 3.216 3.000 3.479 . 0 0 "[ . 1 . 2]" 1
657 1 31 LEU QD 1 32 TYR H 4.700 . 6.600 3.924 3.857 3.974 . 0 0 "[ . 1 . 2]" 1
658 1 31 LEU QD 1 33 GLN H 5.500 . 8.300 5.150 5.012 5.332 . 0 0 "[ . 1 . 2]" 1
659 1 31 LEU QD 1 34 HIS QB 5.300 . 8.000 3.397 3.273 3.490 . 0 0 "[ . 1 . 2]" 1
660 1 31 LEU QD 1 34 HIS HD2 5.500 . 8.200 4.672 3.789 5.406 . 0 0 "[ . 1 . 2]" 1
661 1 31 LEU HG 1 32 TYR H 5.100 . 7.600 5.156 4.963 5.316 . 0 0 "[ . 1 . 2]" 1
662 1 32 TYR H 1 32 TYR QD 3.900 . 4.900 3.298 3.077 3.527 . 0 0 "[ . 1 . 2]" 1
663 1 32 TYR H 1 33 GLN H 3.900 . 4.900 2.600 2.495 2.655 . 0 0 "[ . 1 . 2]" 1
664 1 32 TYR H 1 33 GLN HA 5.500 . 8.300 5.214 5.138 5.256 . 0 0 "[ . 1 . 2]" 1
665 1 32 TYR H 1 35 ALA H 5.300 . 8.000 4.860 4.708 5.007 . 0 0 "[ . 1 . 2]" 1
666 1 32 TYR H 1 35 ALA MB 5.400 . 8.100 4.929 4.683 5.127 . 0 0 "[ . 1 . 2]" 1
667 1 32 TYR H 1 67 ALA HA 5.500 . 8.300 5.737 5.484 6.018 . 0 0 "[ . 1 . 2]" 1
668 1 32 TYR H 1 67 ALA MB 5.500 . 8.300 4.670 4.255 5.220 . 0 0 "[ . 1 . 2]" 1
669 1 32 TYR H 1 70 LEU QD 5.000 . 7.000 4.308 4.087 4.458 . 0 0 "[ . 1 . 2]" 1
670 1 32 TYR HA 1 32 TYR QD 3.400 . 4.100 2.583 2.207 2.977 . 0 0 "[ . 1 . 2]" 1
671 1 32 TYR HA 1 32 TYR QE 5.300 . 7.900 4.320 4.197 4.448 . 0 0 "[ . 1 . 2]" 1
672 1 32 TYR HA 1 35 ALA H 4.200 . 5.500 3.443 3.332 3.637 . 0 0 "[ . 1 . 2]" 1
673 1 32 TYR HA 1 35 ALA MB 4.000 . 5.200 2.823 2.540 3.063 . 0 0 "[ . 1 . 2]" 1
674 1 32 TYR QB 1 33 GLN H 4.200 . 5.500 2.647 2.487 2.725 . 0 0 "[ . 1 . 2]" 1
675 1 32 TYR QB 1 35 ALA MB 4.500 . 6.300 4.418 4.243 4.636 . 0 0 "[ . 1 . 2]" 1
676 1 32 TYR QB 1 36 VAL QG 4.300 . 5.600 3.529 3.351 3.666 . 0 0 "[ . 1 . 2]" 1
677 1 32 TYR QB 1 67 ALA MB 4.000 . 5.200 2.308 1.979 2.789 . 0 0 "[ . 1 . 2]" 1
678 1 32 TYR QD 1 33 GLN H 4.600 . 6.400 4.582 4.476 4.632 . 0 0 "[ . 1 . 2]" 1
679 1 32 TYR QD 1 35 ALA MB 4.800 . 6.700 3.706 3.321 4.285 . 0 0 "[ . 1 . 2]" 1
680 1 32 TYR QD 1 36 VAL QG 4.700 . 6.600 3.633 3.316 3.973 . 0 0 "[ . 1 . 2]" 1
681 1 32 TYR QD 1 63 TYR QB 5.100 . 7.700 3.032 2.426 3.530 . 0 0 "[ . 1 . 2]" 1
682 1 32 TYR QD 1 63 TYR QD 3.800 . 4.700 3.054 2.475 4.296 . 0 0 "[ . 1 . 2]" 1
683 1 32 TYR QD 1 67 ALA MB 4.600 . 6.400 3.731 3.143 4.359 . 0 0 "[ . 1 . 2]" 1
684 1 32 TYR QD 1 70 LEU MD1 3.700 . 4.600 2.284 1.882 2.805 . 0 0 "[ . 1 . 2]" 1
685 1 32 TYR QD 1 70 LEU QD 3.200 . 3.800 2.271 1.878 2.775 . 0 0 "[ . 1 . 2]" 1
686 1 32 TYR QD 1 70 LEU MD2 3.700 . 4.600 4.137 3.747 4.503 . 0 0 "[ . 1 . 2]" 1
687 1 32 TYR QE 1 70 LEU QD 3.500 . 4.400 2.786 2.252 3.178 . 0 0 "[ . 1 . 2]" 1
688 1 33 GLN H 1 33 GLN HB2 3.800 . 4.800 2.324 2.082 3.590 . 0 0 "[ . 1 . 2]" 1
689 1 33 GLN H 1 33 GLN HB3 3.800 . 4.800 3.476 2.535 3.576 . 0 0 "[ . 1 . 2]" 1
690 1 33 GLN H 1 33 GLN QG 3.500 . 4.200 2.693 2.200 3.168 . 0 0 "[ . 1 . 2]" 1
691 1 33 GLN H 1 35 ALA H 5.100 . 7.600 4.275 4.061 4.484 . 0 0 "[ . 1 . 2]" 1
692 1 33 GLN H 1 67 ALA MB 4.600 . 6.400 3.687 3.238 4.090 . 0 0 "[ . 1 . 2]" 1
693 1 33 GLN H 1 70 LEU QD 5.400 . 8.100 5.127 4.746 5.407 . 0 0 "[ . 1 . 2]" 1
694 1 33 GLN HA 1 33 GLN QE 4.900 . 6.800 4.480 2.322 5.243 . 0 0 "[ . 1 . 2]" 1
695 1 33 GLN HA 1 33 GLN HG2 4.000 . 5.200 2.372 2.113 3.851 . 0 0 "[ . 1 . 2]" 1
696 1 33 GLN HA 1 33 GLN HG3 4.000 . 5.200 3.268 2.716 3.662 . 0 0 "[ . 1 . 2]" 1
697 1 33 GLN HA 1 36 VAL H 4.200 . 5.500 3.540 3.422 3.632 . 0 0 "[ . 1 . 2]" 1
698 1 33 GLN HA 1 36 VAL HB 4.200 . 5.400 3.177 2.961 3.333 . 0 0 "[ . 1 . 2]" 1
699 1 33 GLN HA 1 36 VAL QG 4.500 . 6.300 2.440 2.029 2.860 . 0 0 "[ . 1 . 2]" 1
700 1 33 GLN QB 1 34 HIS H 3.600 . 4.500 2.819 2.601 3.528 . 0 0 "[ . 1 . 2]" 1
701 1 33 GLN QB 1 34 HIS HA 4.900 . 6.800 3.913 3.836 4.367 . 0 0 "[ . 1 . 2]" 1
702 1 33 GLN QB 1 34 HIS HD2 4.400 . 5.700 3.492 3.107 4.862 . 0 0 "[ . 1 . 2]" 1
703 1 33 GLN QE 1 67 ALA MB 4.600 . 6.500 4.130 2.583 5.058 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLN QG 1 34 HIS H 4.600 . 6.400 4.236 2.164 4.513 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLN QG 1 34 HIS HD2 4.900 . 6.900 5.283 2.759 6.009 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLN QG 1 67 ALA MB 4.100 . 5.300 2.728 2.349 4.218 . 0 0 "[ . 1 . 2]" 1
707 1 34 HIS H 1 34 HIS HB2 3.700 . 4.600 2.143 2.096 2.179 . 0 0 "[ . 1 . 2]" 1
708 1 34 HIS H 1 34 HIS HB3 3.700 . 4.600 3.448 3.363 3.487 . 0 0 "[ . 1 . 2]" 1
709 1 34 HIS H 1 34 HIS HD2 4.800 . 6.700 3.133 2.929 3.560 . 0 0 "[ . 1 . 2]" 1
710 1 34 HIS H 1 35 ALA H 3.600 . 4.500 2.597 2.540 2.717 . 0 0 "[ . 1 . 2]" 1
711 1 34 HIS H 1 35 ALA MB 4.600 . 6.500 4.201 4.153 4.304 . 0 0 "[ . 1 . 2]" 1
712 1 34 HIS HA 1 34 HIS HD2 4.200 . 5.500 3.316 2.385 3.963 . 0 0 "[ . 1 . 2]" 1
713 1 34 HIS HA 1 37 GLU H 4.100 . 5.300 3.452 3.349 3.641 . 0 0 "[ . 1 . 2]" 1
714 1 34 HIS HA 1 37 GLU HB2 4.700 . 6.600 3.062 2.678 5.121 . 0 0 "[ . 1 . 2]" 1
715 1 34 HIS HA 1 37 GLU QB 3.900 . 4.900 2.947 2.649 4.180 . 0 0 "[ . 1 . 2]" 1
716 1 34 HIS HA 1 37 GLU HB3 4.700 . 6.600 4.435 4.195 4.731 . 0 0 "[ . 1 . 2]" 1
717 1 34 HIS HA 1 37 GLU HG2 4.500 . 6.300 3.995 1.994 5.094 . 0 0 "[ . 1 . 2]" 1
718 1 34 HIS HA 1 37 GLU QG 4.000 . 5.000 3.065 1.951 3.691 . 0 0 "[ . 1 . 2]" 1
719 1 34 HIS HA 1 37 GLU HG3 4.500 . 6.300 3.286 2.259 3.868 . 0 0 "[ . 1 . 2]" 1
720 1 34 HIS HB2 1 35 ALA H 4.200 . 5.400 2.904 2.738 3.106 . 0 0 "[ . 1 . 2]" 1
721 1 34 HIS HB3 1 35 ALA H 4.200 . 5.400 3.222 2.911 3.454 . 0 0 "[ . 1 . 2]" 1
722 1 35 ALA H 1 35 ALA MB 3.200 . 3.900 2.094 2.041 2.168 . 0 0 "[ . 1 . 2]" 1
723 1 35 ALA H 1 36 VAL H 3.900 . 4.900 2.635 2.527 2.739 . 0 0 "[ . 1 . 2]" 1
724 1 35 ALA H 1 37 GLU H 5.100 . 7.700 4.176 3.985 4.558 . 0 0 "[ . 1 . 2]" 1
725 1 35 ALA HA 1 38 TYR H 4.200 . 5.500 3.515 3.397 3.757 . 0 0 "[ . 1 . 2]" 1
726 1 35 ALA HA 1 38 TYR QD 4.000 . 5.000 3.020 2.346 3.917 . 0 0 "[ . 1 . 2]" 1
727 1 35 ALA HA 1 39 PHE H 4.800 . 6.700 4.443 4.102 4.599 . 0 0 "[ . 1 . 2]" 1
728 1 35 ALA MB 1 36 VAL H 3.700 . 4.600 2.778 2.622 2.860 . 0 0 "[ . 1 . 2]" 1
729 1 35 ALA MB 1 37 GLU H 4.800 . 6.700 4.561 4.398 4.917 . 0 0 "[ . 1 . 2]" 1
730 1 35 ALA MB 1 38 TYR H 4.800 . 6.700 4.649 4.549 4.817 . 0 0 "[ . 1 . 2]" 1
731 1 35 ALA MB 1 39 PHE QD 4.000 . 5.000 3.330 2.909 3.666 . 0 0 "[ . 1 . 2]" 1
732 1 35 ALA MB 1 39 PHE QE 4.800 . 6.700 3.052 2.686 3.435 . 0 0 "[ . 1 . 2]" 1
733 1 35 ALA MB 1 63 TYR QE 5.400 . 8.100 4.550 4.100 4.773 . 0 0 "[ . 1 . 2]" 1
734 1 36 VAL H 1 36 VAL HB 3.400 . 4.100 2.628 2.604 2.680 . 0 0 "[ . 1 . 2]" 1
735 1 36 VAL H 1 36 VAL MG1 4.100 . 5.300 3.771 3.758 3.781 . 0 0 "[ . 1 . 2]" 1
736 1 36 VAL H 1 36 VAL QG 3.300 . 4.000 2.087 1.953 2.217 . 0 0 "[ . 1 . 2]" 1
737 1 36 VAL H 1 36 VAL MG2 4.100 . 5.300 2.097 1.959 2.233 . 0 0 "[ . 1 . 2]" 1
738 1 36 VAL H 1 37 GLU H 3.700 . 4.600 2.563 2.453 2.738 . 0 0 "[ . 1 . 2]" 1
739 1 36 VAL H 1 38 TYR H 5.000 . 7.500 4.090 3.849 4.363 . 0 0 "[ . 1 . 2]" 1
740 1 36 VAL H 1 39 PHE QD 4.500 . 5.800 4.376 3.941 4.585 . 0 0 "[ . 1 . 2]" 1
741 1 36 VAL H 1 40 LEU QD 5.400 . 8.100 5.721 5.210 6.098 . 0 0 "[ . 1 . 2]" 1
742 1 36 VAL HA 1 36 VAL QG 3.100 . 3.700 2.115 2.034 2.161 . 0 0 "[ . 1 . 2]" 1
743 1 36 VAL HA 1 39 PHE H 4.100 . 5.300 3.461 3.358 3.682 . 0 0 "[ . 1 . 2]" 1
744 1 36 VAL HA 1 39 PHE HB2 4.400 . 5.700 2.701 2.543 3.094 . 0 0 "[ . 1 . 2]" 1
745 1 36 VAL HA 1 39 PHE HB3 4.500 . 5.800 4.273 4.050 4.663 . 0 0 "[ . 1 . 2]" 1
746 1 36 VAL HA 1 39 PHE QD 3.900 . 4.900 2.576 2.062 3.133 . 0 0 "[ . 1 . 2]" 1
747 1 36 VAL HB 1 37 GLU H 3.800 . 4.700 2.741 2.283 2.866 . 0 0 "[ . 1 . 2]" 1
748 1 36 VAL HB 1 38 TYR H 5.500 . 8.300 5.050 4.707 5.189 . 0 0 "[ . 1 . 2]" 1
749 1 36 VAL HB 1 40 LEU QD 4.800 . 6.700 4.140 3.844 4.603 . 0 0 "[ . 1 . 2]" 1
750 1 36 VAL HB 1 64 LEU QD 4.200 . 5.500 3.667 3.310 4.092 . 0 0 "[ . 1 . 2]" 1
751 1 36 VAL QG 1 37 GLU H 3.800 . 4.800 3.335 3.119 3.398 . 0 0 "[ . 1 . 2]" 1
752 1 36 VAL QG 1 37 GLU HA 4.600 . 6.400 3.714 3.598 3.789 . 0 0 "[ . 1 . 2]" 1
753 1 36 VAL QG 1 39 PHE H 4.700 . 6.600 4.273 4.139 4.427 . 0 0 "[ . 1 . 2]" 1
754 1 36 VAL QG 1 39 PHE QD 3.800 . 4.700 3.606 3.254 4.052 . 0 0 "[ . 1 . 2]" 1
755 1 36 VAL QG 1 40 LEU H 4.300 . 5.600 3.870 3.690 4.123 . 0 0 "[ . 1 . 2]" 1
756 1 36 VAL QG 1 40 LEU HA 5.400 . 8.100 5.159 4.974 5.412 . 0 0 "[ . 1 . 2]" 1
757 1 36 VAL QG 1 40 LEU QB 4.200 . 5.400 3.909 3.521 4.169 . 0 0 "[ . 1 . 2]" 1
758 1 36 VAL QG 1 40 LEU QD 2.600 . 3.100 2.357 1.915 2.847 . 0 0 "[ . 1 . 2]" 1
759 1 36 VAL QG 1 40 LEU HG 4.200 . 5.500 3.439 2.798 4.257 . 0 0 "[ . 1 . 2]" 1
760 1 36 VAL QG 1 60 CYS QB 3.900 . 4.900 2.797 1.940 3.835 . 0 0 "[ . 1 . 2]" 1
761 1 36 VAL QG 1 63 TYR H 5.100 . 7.600 4.215 3.625 4.884 . 0 0 "[ . 1 . 2]" 1
762 1 36 VAL QG 1 63 TYR QB 3.400 . 4.100 2.156 1.908 2.700 . 0 0 "[ . 1 . 2]" 1
763 1 36 VAL QG 1 63 TYR QD 3.600 . 4.500 3.472 3.193 3.962 . 0 0 "[ . 1 . 2]" 1
764 1 36 VAL QG 1 63 TYR QE 5.400 . 8.100 4.913 4.619 5.325 . 0 0 "[ . 1 . 2]" 1
765 1 36 VAL QG 1 64 LEU H 4.200 . 5.500 3.321 2.681 3.917 . 0 0 "[ . 1 . 2]" 1
766 1 36 VAL QG 1 64 LEU HA 5.400 . 8.100 3.030 2.698 3.323 . 0 0 "[ . 1 . 2]" 1
767 1 36 VAL QG 1 64 LEU QD 2.800 . 3.400 2.080 1.799 2.303 0.001 20 0 "[ . 1 . 2]" 1
768 1 36 VAL QG 1 64 LEU HG 3.800 . 4.800 2.119 1.800 3.764 . 11 0 "[ . 1 . 2]" 1
769 1 36 VAL MG1 1 37 GLU H 4.500 . 6.300 3.723 3.424 3.826 . 0 0 "[ . 1 . 2]" 1
770 1 36 VAL MG1 1 39 PHE QD 4.600 . 6.500 4.217 3.763 4.783 . 0 0 "[ . 1 . 2]" 1
771 1 36 VAL MG1 1 60 CYS HA 4.200 . 5.500 3.114 2.530 3.959 . 0 0 "[ . 1 . 2]" 1
772 1 36 VAL MG1 1 64 LEU QD 3.600 . 4.500 2.133 1.814 2.383 . 0 0 "[ . 1 . 2]" 1
773 1 36 VAL MG2 1 37 GLU H 4.500 . 6.300 3.767 3.593 3.812 . 0 0 "[ . 1 . 2]" 1
774 1 36 VAL MG2 1 39 PHE QD 4.600 . 6.500 3.919 3.561 4.376 . 0 0 "[ . 1 . 2]" 1
775 1 36 VAL MG2 1 60 CYS HA 4.200 . 5.500 3.645 3.007 4.339 . 0 0 "[ . 1 . 2]" 1
776 1 36 VAL MG2 1 64 LEU QD 3.600 . 4.500 2.961 2.439 3.322 . 0 0 "[ . 1 . 2]" 1
777 1 37 GLU H 1 37 GLU QB 3.300 . 4.000 2.291 2.134 2.592 . 0 0 "[ . 1 . 2]" 1
778 1 37 GLU H 1 37 GLU HG2 4.000 . 5.000 2.764 2.129 3.536 . 0 0 "[ . 1 . 2]" 1
779 1 37 GLU H 1 37 GLU HG3 4.000 . 5.000 3.406 2.771 3.882 . 0 0 "[ . 1 . 2]" 1
780 1 37 GLU H 1 38 TYR HB3 5.000 . 7.000 6.017 5.888 6.216 . 0 0 "[ . 1 . 2]" 1
781 1 37 GLU H 1 39 PHE H 5.000 . 7.000 4.052 3.956 4.191 . 0 0 "[ . 1 . 2]" 1
782 1 37 GLU HA 1 37 GLU HG2 4.100 . 5.300 2.616 2.093 3.862 . 0 0 "[ . 1 . 2]" 1
783 1 37 GLU HA 1 37 GLU QG 3.600 . 4.500 2.527 2.072 3.336 . 0 0 "[ . 1 . 2]" 1
784 1 37 GLU HA 1 37 GLU HG3 4.100 . 5.300 3.637 3.312 3.755 . 0 0 "[ . 1 . 2]" 1
785 1 37 GLU HA 1 40 LEU H 4.700 . 6.600 3.621 3.421 3.849 . 0 0 "[ . 1 . 2]" 1
786 1 37 GLU HA 1 40 LEU QB 5.000 . 7.500 2.877 2.600 3.187 . 0 0 "[ . 1 . 2]" 1
787 1 37 GLU HA 1 40 LEU QD 3.900 . 4.900 3.098 2.444 3.908 . 0 0 "[ . 1 . 2]" 1
788 1 37 GLU QB 1 38 TYR H 3.500 . 4.200 2.797 2.435 3.518 . 0 0 "[ . 1 . 2]" 1
789 1 37 GLU QB 1 39 PHE H 5.300 . 8.000 4.709 4.592 5.116 . 0 0 "[ . 1 . 2]" 1
790 1 37 GLU HB2 1 38 TYR H 4.000 . 5.000 2.929 2.491 3.850 . 0 0 "[ . 1 . 2]" 1
791 1 37 GLU HB3 1 38 TYR H 4.000 . 5.000 3.595 3.391 4.069 . 0 0 "[ . 1 . 2]" 1
792 1 37 GLU QG 1 38 TYR H 5.300 . 8.000 4.055 1.979 4.429 . 0 0 "[ . 1 . 2]" 1
793 1 37 GLU QG 1 40 LEU QD 4.700 . 6.600 4.204 3.622 5.168 . 0 0 "[ . 1 . 2]" 1
794 1 38 TYR H 1 38 TYR HB2 3.900 . 4.900 2.210 2.101 2.333 . 0 0 "[ . 1 . 2]" 1
795 1 38 TYR H 1 38 TYR HB3 3.600 . 4.500 3.505 3.400 3.571 . 0 0 "[ . 1 . 2]" 1
796 1 38 TYR H 1 38 TYR QD 4.300 . 5.600 2.842 2.561 3.266 . 0 0 "[ . 1 . 2]" 1
797 1 38 TYR H 1 39 PHE H 3.800 . 4.700 2.539 2.492 2.694 . 0 0 "[ . 1 . 2]" 1
798 1 38 TYR H 1 39 PHE HB3 5.000 . 7.500 5.983 5.916 6.085 . 0 0 "[ . 1 . 2]" 1
799 1 38 TYR H 1 39 PHE QD 5.200 . 7.800 4.822 4.668 5.211 . 0 0 "[ . 1 . 2]" 1
800 1 38 TYR H 1 40 LEU QD 5.200 . 7.800 5.365 4.996 5.657 . 0 0 "[ . 1 . 2]" 1
801 1 38 TYR HA 1 38 TYR QD 3.900 . 4.900 2.743 2.222 3.046 . 0 0 "[ . 1 . 2]" 1
802 1 38 TYR HA 1 38 TYR QE 4.700 . 6.600 4.432 4.303 4.517 . 0 0 "[ . 1 . 2]" 1
803 1 38 TYR HA 1 41 HIS H 4.600 . 6.400 3.666 3.544 3.813 . 0 0 "[ . 1 . 2]" 1
804 1 38 TYR HA 1 41 HIS HB2 4.500 . 5.800 3.698 3.431 3.983 . 0 0 "[ . 1 . 2]" 1
805 1 38 TYR HA 1 41 HIS QB 3.800 . 4.800 2.927 2.607 3.170 . 0 0 "[ . 1 . 2]" 1
806 1 38 TYR HA 1 41 HIS HB3 4.500 . 5.800 3.071 2.674 3.345 . 0 0 "[ . 1 . 2]" 1
807 1 38 TYR HA 1 42 ALA H 4.700 . 6.600 4.259 4.127 4.510 . 0 0 "[ . 1 . 2]" 1
808 1 38 TYR HB2 1 39 PHE H 4.500 . 5.800 2.942 2.752 3.169 . 0 0 "[ . 1 . 2]" 1
809 1 38 TYR HB3 1 39 PHE H 3.800 . 4.700 3.491 3.273 3.725 . 0 0 "[ . 1 . 2]" 1
810 1 39 PHE H 1 39 PHE HB3 3.900 . 4.900 3.505 3.473 3.533 . 0 0 "[ . 1 . 2]" 1
811 1 39 PHE H 1 39 PHE QD 3.800 . 4.800 3.222 3.102 3.434 . 0 0 "[ . 1 . 2]" 1
812 1 39 PHE H 1 40 LEU H 4.100 . 5.300 2.630 2.516 2.812 . 0 0 "[ . 1 . 2]" 1
813 1 39 PHE H 1 40 LEU QB 5.000 . 7.000 4.386 4.226 4.532 . 0 0 "[ . 1 . 2]" 1
814 1 39 PHE H 1 40 LEU QD 4.400 . 5.700 4.746 3.964 5.038 . 0 0 "[ . 1 . 2]" 1
815 1 39 PHE H 1 42 ALA MB 4.800 . 6.700 4.647 4.447 4.765 . 0 0 "[ . 1 . 2]" 1
816 1 39 PHE HA 1 39 PHE QD 3.900 . 4.900 2.301 2.147 2.420 . 0 0 "[ . 1 . 2]" 1
817 1 39 PHE HA 1 42 ALA H 4.400 . 5.700 3.474 3.318 3.589 . 0 0 "[ . 1 . 2]" 1
818 1 39 PHE HA 1 42 ALA MB 3.600 . 4.500 2.675 2.495 2.866 . 0 0 "[ . 1 . 2]" 1
819 1 39 PHE HA 1 56 ILE MG 4.200 . 5.500 3.269 2.862 3.643 . 0 0 "[ . 1 . 2]" 1
820 1 39 PHE HB2 1 40 LEU H 4.200 . 5.500 2.716 2.530 2.915 . 0 0 "[ . 1 . 2]" 1
821 1 39 PHE HB2 1 40 LEU HA 5.500 . 8.300 4.660 4.585 4.746 . 0 0 "[ . 1 . 2]" 1
822 1 39 PHE HB2 1 56 ILE MG 3.900 . 4.900 3.839 3.587 4.048 . 0 0 "[ . 1 . 2]" 1
823 1 39 PHE HB3 1 40 LEU H 4.000 . 5.200 3.230 2.993 3.424 . 0 0 "[ . 1 . 2]" 1
824 1 39 PHE HB3 1 40 LEU QD 4.800 . 6.700 4.352 3.358 4.844 . 0 0 "[ . 1 . 2]" 1
825 1 39 PHE HB3 1 56 ILE MG 5.500 . 8.200 2.440 2.148 2.672 . 0 0 "[ . 1 . 2]" 1
826 1 39 PHE QD 1 40 LEU H 4.500 . 6.300 4.491 4.374 4.603 . 0 0 "[ . 1 . 2]" 1
827 1 39 PHE QD 1 42 ALA MB 4.500 . 5.800 3.546 3.233 3.809 . 0 0 "[ . 1 . 2]" 1
828 1 39 PHE QD 1 56 ILE MD 4.800 . 6.700 4.051 3.636 4.547 . 0 0 "[ . 1 . 2]" 1
829 1 39 PHE QD 1 56 ILE MG 3.500 . 4.200 1.989 1.875 2.084 . 0 0 "[ . 1 . 2]" 1
830 1 39 PHE QD 1 59 LYS HB2 5.000 . 7.000 5.040 4.494 5.521 . 0 0 "[ . 1 . 2]" 1
831 1 39 PHE QD 1 59 LYS HB3 5.000 . 7.000 4.605 4.065 5.072 . 0 0 "[ . 1 . 2]" 1
832 1 39 PHE QD 1 60 CYS H 5.200 . 7.800 5.361 4.467 5.804 . 0 0 "[ . 1 . 2]" 1
833 1 39 PHE QD 1 63 TYR QD 3.800 . 4.700 3.601 2.968 4.277 . 0 0 "[ . 1 . 2]" 1
834 1 39 PHE QE 1 56 ILE MG 4.800 . 6.700 3.325 2.979 3.562 . 0 0 "[ . 1 . 2]" 1
835 1 39 PHE QE 1 59 LYS QG 4.700 . 6.600 4.808 3.721 5.547 . 0 0 "[ . 1 . 2]" 1
836 1 40 LEU H 1 40 LEU HB2 3.900 . 4.900 2.211 2.069 2.329 . 0 0 "[ . 1 . 2]" 1
837 1 40 LEU H 1 40 LEU QB 3.100 . 3.700 2.188 2.051 2.300 . 0 0 "[ . 1 . 2]" 1
838 1 40 LEU H 1 40 LEU HB3 3.900 . 4.900 3.494 3.355 3.556 . 0 0 "[ . 1 . 2]" 1
839 1 40 LEU H 1 40 LEU QD 3.500 . 4.200 3.076 2.085 3.357 . 0 0 "[ . 1 . 2]" 1
840 1 40 LEU H 1 41 HIS H 3.800 . 4.700 2.712 2.597 2.775 . 0 0 "[ . 1 . 2]" 1
841 1 40 LEU H 1 42 ALA H 4.900 . 6.900 4.013 3.948 4.111 . 0 0 "[ . 1 . 2]" 1
842 1 40 LEU HA 1 40 LEU MD1 4.300 . 5.600 3.613 2.245 3.852 . 0 0 "[ . 1 . 2]" 1
843 1 40 LEU HA 1 40 LEU QD 3.000 . 3.600 2.248 1.926 2.922 . 0 0 "[ . 1 . 2]" 1
844 1 40 LEU HA 1 40 LEU MD2 4.300 . 5.600 2.357 1.969 3.523 . 0 0 "[ . 1 . 2]" 1
845 1 40 LEU HA 1 43 ILE H 4.400 . 5.700 3.543 3.392 3.705 . 0 0 "[ . 1 . 2]" 1
846 1 40 LEU HA 1 43 ILE HB 4.300 . 5.600 3.338 3.127 3.549 . 0 0 "[ . 1 . 2]" 1
847 1 40 LEU HA 1 43 ILE MD 3.700 . 4.600 2.255 1.928 2.548 . 0 0 "[ . 1 . 2]" 1
848 1 40 LEU HA 1 43 ILE QG 5.300 . 8.000 3.608 3.216 3.978 . 0 0 "[ . 1 . 2]" 1
849 1 40 LEU HA 1 43 ILE MG 4.800 . 6.700 4.611 4.422 4.818 . 0 0 "[ . 1 . 2]" 1
850 1 40 LEU QB 1 40 LEU QD 2.800 . 3.400 1.926 1.887 2.010 0.013 20 0 "[ . 1 . 2]" 1
851 1 40 LEU HB2 1 41 HIS H 4.000 . 5.200 2.759 2.583 3.139 . 0 0 "[ . 1 . 2]" 1
852 1 40 LEU HB3 1 41 HIS H 4.000 . 5.200 3.255 3.013 3.477 . 0 0 "[ . 1 . 2]" 1
853 1 40 LEU QD 1 41 HIS H 4.300 . 5.600 4.056 3.887 4.142 . 0 0 "[ . 1 . 2]" 1
854 1 40 LEU QD 1 42 ALA H 5.400 . 8.100 5.288 4.891 5.436 . 0 0 "[ . 1 . 2]" 1
855 1 40 LEU QD 1 60 CYS QB 4.700 . 6.600 3.190 2.064 3.670 . 0 0 "[ . 1 . 2]" 1
856 1 40 LEU MD1 1 41 HIS H 5.000 . 7.500 4.482 4.148 4.661 . 0 0 "[ . 1 . 2]" 1
857 1 40 LEU MD2 1 41 HIS H 5.000 . 7.500 4.647 4.482 4.847 . 0 0 "[ . 1 . 2]" 1
858 1 41 HIS H 1 41 HIS HB2 3.500 . 4.400 2.408 2.317 2.543 . 0 0 "[ . 1 . 2]" 1
859 1 41 HIS H 1 41 HIS HB3 3.500 . 4.400 2.673 2.526 2.760 . 0 0 "[ . 1 . 2]" 1
860 1 41 HIS H 1 42 ALA H 3.500 . 4.200 2.588 2.491 2.681 . 0 0 "[ . 1 . 2]" 1
861 1 41 HIS H 1 42 ALA MB 5.100 . 7.700 4.261 4.137 4.361 . 0 0 "[ . 1 . 2]" 1
862 1 41 HIS HA 1 41 HIS HD2 4.100 . 5.300 3.552 3.360 4.091 . 0 0 "[ . 1 . 2]" 1
863 1 41 HIS HA 1 44 LYS H 4.500 . 5.800 3.516 3.394 3.650 . 0 0 "[ . 1 . 2]" 1
864 1 41 HIS HA 1 44 LYS HB2 4.500 . 5.800 3.095 2.887 3.328 . 0 0 "[ . 1 . 2]" 1
865 1 41 HIS HA 1 44 LYS QB 3.900 . 4.900 2.843 2.668 3.034 . 0 0 "[ . 1 . 2]" 1
866 1 41 HIS HA 1 44 LYS HB3 4.500 . 5.800 3.368 3.034 4.118 . 0 0 "[ . 1 . 2]" 1
867 1 41 HIS HA 1 45 TYR H 4.800 . 6.700 3.779 3.647 3.985 . 0 0 "[ . 1 . 2]" 1
868 1 41 HIS HA 1 45 TYR QD 4.000 . 5.200 3.625 3.047 4.141 . 0 0 "[ . 1 . 2]" 1
869 1 41 HIS QB 1 42 ALA H 3.600 . 4.500 2.771 2.609 2.815 . 0 0 "[ . 1 . 2]" 1
870 1 41 HIS HB2 1 42 ALA H 4.300 . 5.600 3.895 3.814 4.021 . 0 0 "[ . 1 . 2]" 1
871 1 41 HIS HB3 1 42 ALA H 4.300 . 5.600 2.837 2.655 2.875 . 0 0 "[ . 1 . 2]" 1
872 1 41 HIS HD2 1 42 ALA H 4.500 . 5.800 4.296 4.078 4.465 . 0 0 "[ . 1 . 2]" 1
873 1 41 HIS HD2 1 42 ALA HA 4.200 . 5.500 3.505 3.297 3.705 . 0 0 "[ . 1 . 2]" 1
874 1 41 HIS HD2 1 42 ALA MB 3.900 . 4.900 4.664 4.144 4.850 . 0 0 "[ . 1 . 2]" 1
875 1 41 HIS HD2 1 46 GLU H 4.000 . 5.200 4.442 4.190 4.657 . 0 0 "[ . 1 . 2]" 1
876 1 41 HIS HD2 1 46 GLU QB 4.300 . 5.600 5.490 5.373 5.597 . 0 0 "[ . 1 . 2]" 1
877 1 41 HIS HD2 1 46 GLU QG 4.400 . 5.700 5.389 4.241 5.665 . 0 0 "[ . 1 . 2]" 1
878 1 42 ALA H 1 42 ALA MB 3.200 . 3.800 2.210 2.093 2.248 . 0 0 "[ . 1 . 2]" 1
879 1 42 ALA H 1 43 ILE H 4.000 . 5.000 2.593 2.487 2.728 . 0 0 "[ . 1 . 2]" 1
880 1 42 ALA H 1 44 LYS H 5.000 . 7.500 4.205 3.961 4.378 . 0 0 "[ . 1 . 2]" 1
881 1 42 ALA H 1 56 ILE MG 5.500 . 8.300 4.895 4.406 5.171 . 0 0 "[ . 1 . 2]" 1
882 1 42 ALA HA 1 44 LYS H 4.500 . 6.300 4.699 4.291 4.864 . 0 0 "[ . 1 . 2]" 1
883 1 42 ALA HA 1 45 TYR H 4.700 . 6.600 3.944 3.650 4.076 . 0 0 "[ . 1 . 2]" 1
884 1 42 ALA HA 1 46 GLU H 4.200 . 5.500 3.066 2.676 3.177 . 0 0 "[ . 1 . 2]" 1
885 1 42 ALA HA 1 46 GLU QG 3.900 . 4.900 4.104 2.913 4.567 . 0 0 "[ . 1 . 2]" 1
886 1 42 ALA HA 1 47 ALA H 5.000 . 7.500 6.717 5.847 6.916 . 0 0 "[ . 1 . 2]" 1
887 1 42 ALA MB 1 43 ILE H 3.800 . 4.700 2.630 2.478 2.795 . 0 0 "[ . 1 . 2]" 1
888 1 42 ALA MB 1 46 GLU H 4.700 . 6.600 4.182 3.909 4.316 . 0 0 "[ . 1 . 2]" 1
889 1 42 ALA MB 1 46 GLU QB 4.400 . 5.700 3.268 2.725 3.468 . 0 0 "[ . 1 . 2]" 1
890 1 42 ALA MB 1 46 GLU QG 4.100 . 5.300 4.433 3.429 4.914 . 0 0 "[ . 1 . 2]" 1
891 1 42 ALA MB 1 56 ILE MD 3.900 . 4.900 3.515 3.238 3.910 . 0 0 "[ . 1 . 2]" 1
892 1 42 ALA MB 1 56 ILE MG 4.000 . 5.000 3.308 2.995 3.659 . 0 0 "[ . 1 . 2]" 1
893 1 43 ILE H 1 43 ILE HB 3.600 . 4.500 2.614 2.599 2.631 . 0 0 "[ . 1 . 2]" 1
894 1 43 ILE H 1 43 ILE MD 4.200 . 5.400 3.129 2.959 3.347 . 0 0 "[ . 1 . 2]" 1
895 1 43 ILE H 1 43 ILE HG12 4.200 . 5.500 3.563 3.456 3.663 . 0 0 "[ . 1 . 2]" 1
896 1 43 ILE H 1 43 ILE QG 3.700 . 4.600 2.035 1.975 2.121 . 0 0 "[ . 1 . 2]" 1
897 1 43 ILE H 1 43 ILE HG13 4.200 . 5.500 2.047 1.986 2.135 . 0 0 "[ . 1 . 2]" 1
898 1 43 ILE H 1 43 ILE MG 4.100 . 5.300 3.776 3.765 3.785 . 0 0 "[ . 1 . 2]" 1
899 1 43 ILE H 1 44 LYS H 3.500 . 4.400 2.579 2.469 2.713 . 0 0 "[ . 1 . 2]" 1
900 1 43 ILE H 1 44 LYS QB 4.800 . 6.700 4.258 4.165 4.383 . 0 0 "[ . 1 . 2]" 1
901 1 43 ILE H 1 47 ALA MB 5.500 . 8.300 6.218 6.000 6.418 . 0 0 "[ . 1 . 2]" 1
902 1 43 ILE H 1 56 ILE MD 4.900 . 6.900 4.539 3.997 4.960 . 0 0 "[ . 1 . 2]" 1
903 1 43 ILE H 1 56 ILE MG 4.400 . 5.700 3.937 3.506 4.223 . 0 0 "[ . 1 . 2]" 1
904 1 43 ILE HA 1 43 ILE HG12 4.100 . 5.300 2.891 2.766 3.001 . 0 0 "[ . 1 . 2]" 1
905 1 43 ILE HA 1 43 ILE HG13 4.100 . 5.300 2.805 2.711 2.944 . 0 0 "[ . 1 . 2]" 1
906 1 43 ILE HA 1 46 GLU H 5.000 . 7.000 4.343 4.196 4.661 . 0 0 "[ . 1 . 2]" 1
907 1 43 ILE HA 1 47 ALA H 5.000 . 7.000 4.967 4.666 5.165 . 0 0 "[ . 1 . 2]" 1
908 1 43 ILE HA 1 47 ALA MB 4.000 . 5.000 4.148 3.906 4.345 . 0 0 "[ . 1 . 2]" 1
909 1 43 ILE HA 1 53 LYS QB 4.500 . 6.300 5.887 5.355 6.298 . 0 0 "[ . 1 . 2]" 1
910 1 43 ILE HA 1 56 ILE MD 4.700 . 6.600 3.644 3.199 3.875 . 0 0 "[ . 1 . 2]" 1
911 1 43 ILE HB 1 44 LYS H 3.900 . 4.900 2.496 2.348 2.779 . 0 0 "[ . 1 . 2]" 1
912 1 43 ILE HB 1 57 ARG HE 5.300 . 8.000 6.513 5.711 6.922 . 0 0 "[ . 1 . 2]" 1
913 1 43 ILE MD 1 56 ILE HB 3.600 . 4.500 2.557 1.997 3.196 . 0 0 "[ . 1 . 2]" 1
914 1 43 ILE MD 1 57 ARG H 3.900 . 4.900 3.493 2.855 4.132 . 0 0 "[ . 1 . 2]" 1
915 1 43 ILE MD 1 57 ARG HA 3.700 . 4.600 2.989 2.712 3.386 . 0 0 "[ . 1 . 2]" 1
916 1 43 ILE MD 1 57 ARG QD 4.300 . 5.600 2.757 2.318 3.167 . 0 0 "[ . 1 . 2]" 1
917 1 43 ILE MD 1 57 ARG HE 5.300 . 7.900 4.896 4.218 5.337 . 0 0 "[ . 1 . 2]" 1
918 1 43 ILE MD 1 57 ARG QG 4.200 . 5.500 4.216 3.907 4.449 . 0 0 "[ . 1 . 2]" 1
919 1 43 ILE MD 1 58 ALA H 5.500 . 8.300 5.409 4.866 6.054 . 0 0 "[ . 1 . 2]" 1
920 1 43 ILE QG 1 56 ILE HB 4.700 . 6.600 2.499 2.132 2.737 . 0 0 "[ . 1 . 2]" 1
921 1 43 ILE QG 1 56 ILE MG 3.600 . 4.500 2.132 1.939 2.378 . 0 0 "[ . 1 . 2]" 1
922 1 43 ILE HG12 1 56 ILE MG 4.200 . 5.500 2.495 2.150 2.771 . 0 0 "[ . 1 . 2]" 1
923 1 43 ILE HG13 1 56 ILE MG 4.200 . 5.500 2.326 2.014 2.590 . 0 0 "[ . 1 . 2]" 1
924 1 43 ILE MG 1 44 LYS H 4.100 . 5.300 3.518 3.387 3.701 . 0 0 "[ . 1 . 2]" 1
925 1 43 ILE MG 1 44 LYS HA 4.200 . 5.500 3.593 3.506 3.664 . 0 0 "[ . 1 . 2]" 1
926 1 43 ILE MG 1 47 ALA MB 4.000 . 5.000 3.507 3.264 3.754 . 0 0 "[ . 1 . 2]" 1
927 1 43 ILE MG 1 53 LYS H 4.900 . 6.900 5.376 4.751 5.746 . 0 0 "[ . 1 . 2]" 1
928 1 43 ILE MG 1 53 LYS HA 3.700 . 4.600 3.218 2.582 3.584 . 0 0 "[ . 1 . 2]" 1
929 1 43 ILE MG 1 53 LYS QD 4.500 . 6.300 3.138 2.492 3.749 . 0 0 "[ . 1 . 2]" 1
930 1 43 ILE MG 1 53 LYS HG2 4.400 . 5.700 2.956 2.400 3.557 . 0 0 "[ . 1 . 2]" 1
931 1 43 ILE MG 1 53 LYS QG 3.800 . 4.800 2.163 1.963 2.657 . 0 0 "[ . 1 . 2]" 1
932 1 43 ILE MG 1 53 LYS HG3 4.400 . 5.700 2.320 2.010 4.269 . 0 0 "[ . 1 . 2]" 1
933 1 43 ILE MG 1 54 GLU H 4.700 . 6.600 5.888 5.426 6.207 . 0 0 "[ . 1 . 2]" 1
934 1 43 ILE MG 1 56 ILE HB 4.800 . 6.700 3.862 3.655 4.029 . 0 0 "[ . 1 . 2]" 1
935 1 43 ILE MG 1 57 ARG QD 3.800 . 4.700 3.131 2.733 3.306 . 0 0 "[ . 1 . 2]" 1
936 1 43 ILE MG 1 57 ARG HE 4.900 . 6.900 4.829 4.305 5.429 . 0 0 "[ . 1 . 2]" 1
937 1 44 LYS H 1 44 LYS HB2 3.600 . 4.500 2.137 2.060 2.254 . 0 0 "[ . 1 . 2]" 1
938 1 44 LYS H 1 44 LYS HB3 3.600 . 4.500 3.034 2.871 3.379 . 0 0 "[ . 1 . 2]" 1
939 1 44 LYS H 1 44 LYS QG 4.500 . 5.800 3.669 3.136 3.844 . 0 0 "[ . 1 . 2]" 1
940 1 44 LYS H 1 45 TYR H 3.500 . 4.400 2.798 2.578 2.837 . 0 0 "[ . 1 . 2]" 1
941 1 44 LYS H 1 45 TYR QD 4.800 . 6.700 4.442 3.988 4.827 . 0 0 "[ . 1 . 2]" 1
942 1 44 LYS H 1 46 GLU H 4.800 . 6.700 4.581 4.380 4.634 . 0 0 "[ . 1 . 2]" 1
943 1 44 LYS HA 1 44 LYS QE 4.600 . 6.400 4.079 3.071 4.693 . 0 0 "[ . 1 . 2]" 1
944 1 44 LYS HA 1 44 LYS QG 3.400 . 4.100 2.151 2.024 2.231 . 0 0 "[ . 1 . 2]" 1
945 1 44 LYS HB2 1 45 TYR H 4.000 . 5.200 3.315 2.832 3.562 . 0 0 "[ . 1 . 2]" 1
946 1 44 LYS HB2 1 45 TYR QD 4.100 . 5.300 3.780 3.037 4.095 . 0 0 "[ . 1 . 2]" 1
947 1 44 LYS HB3 1 45 TYR H 4.000 . 5.200 2.478 2.353 2.783 . 0 0 "[ . 1 . 2]" 1
948 1 44 LYS HB3 1 45 TYR QD 4.100 . 5.300 2.281 2.007 2.499 . 0 0 "[ . 1 . 2]" 1
949 1 44 LYS QD 1 45 TYR QD 4.000 . 5.200 3.062 2.519 3.696 . 0 0 "[ . 1 . 2]" 1
950 1 44 LYS QD 1 45 TYR QE 3.200 . 3.800 3.139 2.613 3.769 . 0 0 "[ . 1 . 2]" 1
951 1 44 LYS QE 1 45 TYR QE 4.300 . 5.600 4.403 2.799 5.264 . 0 0 "[ . 1 . 2]" 1
952 1 44 LYS QG 1 45 TYR QD 5.000 . 7.000 4.271 4.014 4.501 . 0 0 "[ . 1 . 2]" 1
953 1 45 TYR H 1 45 TYR HB2 4.000 . 5.200 2.232 2.155 2.317 . 0 0 "[ . 1 . 2]" 1
954 1 45 TYR H 1 45 TYR QB 3.500 . 4.200 2.208 2.135 2.289 . 0 0 "[ . 1 . 2]" 1
955 1 45 TYR H 1 45 TYR HB3 4.000 . 5.200 3.517 3.454 3.579 . 0 0 "[ . 1 . 2]" 1
956 1 45 TYR H 1 45 TYR QD 3.700 . 4.600 2.394 2.081 2.897 . 0 0 "[ . 1 . 2]" 1
957 1 45 TYR H 1 46 GLU H 3.200 . 3.800 2.734 2.602 2.833 . 0 0 "[ . 1 . 2]" 1
958 1 45 TYR HA 1 45 TYR QD 3.400 . 4.100 2.952 2.766 3.111 . 0 0 "[ . 1 . 2]" 1
959 1 45 TYR QB 1 46 GLU H 3.500 . 4.400 2.248 2.184 2.305 . 0 0 "[ . 1 . 2]" 1
960 1 45 TYR QB 1 47 ALA H 4.700 . 6.600 5.064 4.564 5.241 . 0 0 "[ . 1 . 2]" 1
961 1 46 GLU H 1 46 GLU QG 4.600 . 6.500 3.005 2.480 3.187 . 0 0 "[ . 1 . 2]" 1
962 1 46 GLU H 1 47 ALA H 3.800 . 4.700 3.966 3.503 4.123 . 0 0 "[ . 1 . 2]" 1
963 1 46 GLU H 1 47 ALA MB 4.700 . 6.600 4.928 4.784 5.018 . 0 0 "[ . 1 . 2]" 1
964 1 46 GLU HA 1 47 ALA H 3.400 . 4.100 2.295 2.218 2.581 . 0 0 "[ . 1 . 2]" 1
965 1 46 GLU QB 1 47 ALA H 3.900 . 4.900 3.808 3.736 3.907 . 0 0 "[ . 1 . 2]" 1
966 1 47 ALA H 1 47 ALA MB 3.100 . 3.700 2.273 2.092 2.339 . 0 0 "[ . 1 . 2]" 1
967 1 47 ALA HA 1 52 ALA MB 4.500 . 6.300 5.600 5.117 5.945 . 0 0 "[ . 1 . 2]" 1
968 1 47 ALA MB 1 52 ALA MB 4.600 . 6.400 5.896 5.542 6.162 . 0 0 "[ . 1 . 2]" 1
969 1 47 ALA MB 1 53 LYS H 5.000 . 7.500 6.376 6.163 6.522 . 0 0 "[ . 1 . 2]" 1
970 1 47 ALA MB 1 53 LYS HA 4.400 . 5.700 5.697 5.638 5.707 0.007 8 0 "[ . 1 . 2]" 1
971 1 47 ALA MB 1 53 LYS QB 3.800 . 4.700 4.637 4.412 4.705 0.005 4 0 "[ . 1 . 2]" 1
972 1 47 ALA MB 1 53 LYS QD 4.500 . 6.300 3.189 2.006 3.902 . 0 0 "[ . 1 . 2]" 1
973 1 47 ALA MB 1 56 ILE MD 4.600 . 6.400 5.591 5.369 5.715 . 0 0 "[ . 1 . 2]" 1
974 1 48 HIS QB 1 49 SER H 4.300 . 5.600 1.975 1.934 2.009 . 0 0 "[ . 1 . 2]" 1
975 1 48 HIS QB 1 52 ALA MB 3.600 . 4.500 1.846 1.795 1.904 0.005 9 0 "[ . 1 . 2]" 1
976 1 48 HIS HB2 1 52 ALA MB 4.300 . 5.600 2.448 2.196 2.662 . 0 0 "[ . 1 . 2]" 1
977 1 48 HIS HB3 1 52 ALA MB 4.300 . 5.600 1.912 1.863 1.974 . 0 0 "[ . 1 . 2]" 1
978 1 49 SER H 1 52 ALA MB 3.600 . 4.500 3.033 2.755 3.224 . 0 0 "[ . 1 . 2]" 1
979 1 49 SER HA 1 51 LYS H 4.700 . 6.600 4.366 4.261 4.530 . 0 0 "[ . 1 . 2]" 1
980 1 49 SER QB 1 51 LYS H 3.600 . 4.500 2.481 2.282 2.775 . 0 0 "[ . 1 . 2]" 1
981 1 49 SER HB2 1 50 ASP H 4.300 . 5.600 3.742 3.295 3.956 . 0 0 "[ . 1 . 2]" 1
982 1 49 SER HB2 1 51 LYS H 4.200 . 5.500 3.746 2.892 4.340 . 0 0 "[ . 1 . 2]" 1
983 1 49 SER HB2 1 52 ALA H 4.600 . 6.400 3.559 2.837 4.266 . 0 0 "[ . 1 . 2]" 1
984 1 49 SER HB3 1 50 ASP H 4.300 . 5.600 2.524 2.202 3.011 . 0 0 "[ . 1 . 2]" 1
985 1 49 SER HB3 1 51 LYS H 4.200 . 5.500 2.562 2.299 3.114 . 0 0 "[ . 1 . 2]" 1
986 1 49 SER HB3 1 52 ALA H 4.600 . 6.400 3.438 2.812 4.208 . 0 0 "[ . 1 . 2]" 1
987 1 50 ASP H 1 50 ASP QB 3.700 . 4.600 2.189 2.055 2.553 . 0 0 "[ . 1 . 2]" 1
988 1 50 ASP H 1 51 LYS H 4.100 . 5.300 2.692 2.613 2.764 . 0 0 "[ . 1 . 2]" 1
989 1 50 ASP H 1 52 ALA H 5.100 . 7.600 4.462 4.393 4.559 . 0 0 "[ . 1 . 2]" 1
990 1 50 ASP HA 1 52 ALA H 5.300 . 7.900 4.563 4.424 4.677 . 0 0 "[ . 1 . 2]" 1
991 1 50 ASP HA 1 53 LYS H 4.300 . 5.600 3.439 3.342 3.602 . 0 0 "[ . 1 . 2]" 1
992 1 50 ASP HA 1 53 LYS QB 4.000 . 5.000 2.464 2.321 2.604 . 0 0 "[ . 1 . 2]" 1
993 1 50 ASP HA 1 53 LYS QD 4.600 . 6.500 3.585 3.295 4.445 . 0 0 "[ . 1 . 2]" 1
994 1 50 ASP HA 1 53 LYS QG 4.200 . 5.500 4.409 3.993 4.634 . 0 0 "[ . 1 . 2]" 1
995 1 50 ASP HA 1 54 GLU H 4.800 . 6.700 3.581 3.312 3.788 . 0 0 "[ . 1 . 2]" 1
996 1 50 ASP QB 1 51 LYS H 3.600 . 4.500 2.803 2.599 3.506 . 0 0 "[ . 1 . 2]" 1
997 1 50 ASP HB2 1 51 LYS H 4.100 . 5.300 3.141 2.780 3.823 . 0 0 "[ . 1 . 2]" 1
998 1 50 ASP HB3 1 51 LYS H 4.100 . 5.300 3.324 2.686 4.077 . 0 0 "[ . 1 . 2]" 1
999 1 51 LYS H 1 51 LYS HB2 3.800 . 4.700 2.169 2.062 2.417 . 0 0 "[ . 1 . 2]" 1
1000 1 51 LYS H 1 51 LYS QB 3.200 . 3.800 2.120 2.040 2.236 . 0 0 "[ . 1 . 2]" 1
1001 1 51 LYS H 1 51 LYS HB3 3.800 . 4.700 3.122 2.634 3.522 . 0 0 "[ . 1 . 2]" 1
1002 1 51 LYS H 1 51 LYS QG 4.400 . 5.700 3.512 2.785 4.025 . 0 0 "[ . 1 . 2]" 1
1003 1 51 LYS H 1 52 ALA H 3.600 . 4.500 2.755 2.702 2.810 . 0 0 "[ . 1 . 2]" 1
1004 1 51 LYS H 1 52 ALA MB 4.500 . 6.300 4.403 4.322 4.475 . 0 0 "[ . 1 . 2]" 1
1005 1 51 LYS HA 1 51 LYS QD 4.300 . 5.600 3.719 2.757 4.033 . 0 0 "[ . 1 . 2]" 1
1006 1 51 LYS HA 1 53 LYS H 5.300 . 8.000 4.567 4.370 4.801 . 0 0 "[ . 1 . 2]" 1
1007 1 51 LYS HA 1 55 SER H 5.200 . 7.800 4.221 4.059 4.454 . 0 0 "[ . 1 . 2]" 1
1008 1 51 LYS QB 1 52 ALA H 3.600 . 4.500 2.475 2.342 2.635 . 0 0 "[ . 1 . 2]" 1
1009 1 51 LYS QB 1 55 SER H 5.300 . 8.000 5.221 4.985 5.550 . 0 0 "[ . 1 . 2]" 1
1010 1 52 ALA H 1 52 ALA MB 3.100 . 3.700 2.117 2.075 2.171 . 0 0 "[ . 1 . 2]" 1
1011 1 52 ALA H 1 53 LYS H 3.600 . 4.500 2.516 2.487 2.565 . 0 0 "[ . 1 . 2]" 1
1012 1 52 ALA H 1 54 GLU H 4.900 . 6.900 4.147 3.943 4.334 . 0 0 "[ . 1 . 2]" 1
1013 1 52 ALA HA 1 54 GLU H 5.000 . 7.000 4.454 4.145 4.734 . 0 0 "[ . 1 . 2]" 1
1014 1 52 ALA HA 1 55 SER H 4.500 . 6.300 3.490 3.340 3.682 . 0 0 "[ . 1 . 2]" 1
1015 1 52 ALA MB 1 53 LYS H 3.600 . 4.500 2.708 2.509 2.870 . 0 0 "[ . 1 . 2]" 1
1016 1 52 ALA MB 1 54 GLU H 4.600 . 6.400 4.621 4.388 4.830 . 0 0 "[ . 1 . 2]" 1
1017 1 52 ALA MB 1 55 SER H 4.700 . 6.600 4.640 4.510 4.780 . 0 0 "[ . 1 . 2]" 1
1018 1 52 ALA MB 1 55 SER QB 5.300 . 7.900 4.015 3.773 4.613 . 0 0 "[ . 1 . 2]" 1
1019 1 53 LYS H 1 53 LYS HB2 4.100 . 5.300 2.277 2.151 2.425 . 0 0 "[ . 1 . 2]" 1
1020 1 53 LYS H 1 53 LYS QB 3.400 . 4.100 2.184 2.104 2.259 . 0 0 "[ . 1 . 2]" 1
1021 1 53 LYS H 1 53 LYS HB3 4.100 . 5.300 2.857 2.622 3.546 . 0 0 "[ . 1 . 2]" 1
1022 1 53 LYS H 1 53 LYS QG 4.100 . 5.300 3.832 2.589 3.982 . 0 0 "[ . 1 . 2]" 1
1023 1 53 LYS H 1 54 GLU H 3.800 . 4.700 2.650 2.515 2.795 . 0 0 "[ . 1 . 2]" 1
1024 1 53 LYS H 1 55 SER H 4.900 . 6.900 4.052 3.918 4.208 . 0 0 "[ . 1 . 2]" 1
1025 1 53 LYS H 1 56 ILE MD 5.000 . 7.000 4.074 3.773 4.563 . 0 0 "[ . 1 . 2]" 1
1026 1 53 LYS H 1 56 ILE QG 5.300 . 8.000 5.181 5.002 5.373 . 0 0 "[ . 1 . 2]" 1
1027 1 53 LYS HA 1 56 ILE H 4.400 . 5.700 3.741 3.625 3.840 . 0 0 "[ . 1 . 2]" 1
1028 1 53 LYS HA 1 56 ILE HB 4.600 . 6.400 3.367 3.177 3.574 . 0 0 "[ . 1 . 2]" 1
1029 1 53 LYS HA 1 56 ILE MD 4.000 . 5.200 2.470 2.126 2.866 . 0 0 "[ . 1 . 2]" 1
1030 1 53 LYS QE 1 53 LYS QG 3.300 . 4.000 2.085 1.943 2.274 . 0 0 "[ . 1 . 2]" 1
1031 1 53 LYS QG 1 54 GLU H 3.900 . 4.900 4.046 3.606 4.337 . 0 0 "[ . 1 . 2]" 1
1032 1 53 LYS QG 1 55 SER H 5.300 . 8.000 5.592 5.302 5.826 . 0 0 "[ . 1 . 2]" 1
1033 1 54 GLU H 1 54 GLU QB 3.300 . 4.000 2.200 2.079 2.472 . 0 0 "[ . 1 . 2]" 1
1034 1 54 GLU H 1 54 GLU QG 4.000 . 5.000 3.180 2.125 3.966 . 0 0 "[ . 1 . 2]" 1
1035 1 54 GLU H 1 55 SER H 3.500 . 4.200 2.569 2.495 2.672 . 0 0 "[ . 1 . 2]" 1
1036 1 54 GLU H 1 56 ILE MD 5.500 . 8.300 5.001 4.706 5.468 . 0 0 "[ . 1 . 2]" 1
1037 1 54 GLU HA 1 57 ARG H 4.000 . 5.200 3.471 3.373 3.581 . 0 0 "[ . 1 . 2]" 1
1038 1 54 GLU HA 1 57 ARG QB 4.300 . 5.600 2.629 2.460 2.788 . 0 0 "[ . 1 . 2]" 1
1039 1 54 GLU HA 1 57 ARG QD 5.000 . 7.000 4.546 4.150 4.984 . 0 0 "[ . 1 . 2]" 1
1040 1 54 GLU QB 1 55 SER H 3.600 . 4.500 2.719 2.621 3.429 . 0 0 "[ . 1 . 2]" 1
1041 1 54 GLU QG 1 55 SER H 4.500 . 6.300 4.178 2.126 4.501 . 0 0 "[ . 1 . 2]" 1
1042 1 55 SER H 1 55 SER QB 3.000 . 3.600 2.237 2.070 2.610 . 0 0 "[ . 1 . 2]" 1
1043 1 55 SER H 1 56 ILE H 3.700 . 4.600 2.732 2.633 2.802 . 0 0 "[ . 1 . 2]" 1
1044 1 55 SER H 1 56 ILE HB 5.500 . 8.300 5.081 4.998 5.142 . 0 0 "[ . 1 . 2]" 1
1045 1 55 SER H 1 56 ILE QG 4.600 . 6.400 4.186 4.019 4.329 . 0 0 "[ . 1 . 2]" 1
1046 1 55 SER H 1 57 ARG H 4.700 . 6.600 4.103 3.988 4.227 . 0 0 "[ . 1 . 2]" 1
1047 1 55 SER H 1 57 ARG QB 5.100 . 7.600 4.849 4.681 4.980 . 0 0 "[ . 1 . 2]" 1
1048 1 55 SER HA 1 58 ALA H 3.900 . 4.900 3.794 3.642 3.958 . 0 0 "[ . 1 . 2]" 1
1049 1 55 SER HA 1 58 ALA MB 3.700 . 4.600 3.081 2.846 3.279 . 0 0 "[ . 1 . 2]" 1
1050 1 55 SER HA 1 59 LYS H 5.500 . 8.300 4.409 4.105 4.728 . 0 0 "[ . 1 . 2]" 1
1051 1 55 SER QB 1 56 ILE H 4.000 . 5.200 2.687 2.459 3.295 . 0 0 "[ . 1 . 2]" 1
1052 1 55 SER QB 1 58 ALA MB 4.600 . 6.400 4.676 4.400 4.923 . 0 0 "[ . 1 . 2]" 1
1053 1 55 SER HB2 1 56 ILE H 4.600 . 6.400 2.961 2.605 3.625 . 0 0 "[ . 1 . 2]" 1
1054 1 55 SER HB3 1 56 ILE H 4.600 . 6.400 3.247 2.519 3.900 . 0 0 "[ . 1 . 2]" 1
1055 1 56 ILE H 1 56 ILE HB 3.600 . 4.500 2.620 2.614 2.627 . 0 0 "[ . 1 . 2]" 1
1056 1 56 ILE H 1 56 ILE MD 4.100 . 5.300 3.106 2.968 3.221 . 0 0 "[ . 1 . 2]" 1
1057 1 56 ILE H 1 56 ILE HG12 3.600 . 4.500 3.535 3.496 3.603 . 0 0 "[ . 1 . 2]" 1
1058 1 56 ILE H 1 56 ILE HG13 3.600 . 4.500 2.006 1.982 2.064 . 0 0 "[ . 1 . 2]" 1
1059 1 56 ILE H 1 57 ARG H 3.800 . 4.700 2.579 2.541 2.632 . 0 0 "[ . 1 . 2]" 1
1060 1 56 ILE HA 1 56 ILE MD 4.100 . 5.300 3.923 3.910 3.929 . 0 0 "[ . 1 . 2]" 1
1061 1 56 ILE HA 1 56 ILE HG12 4.200 . 5.500 2.881 2.824 2.967 . 0 0 "[ . 1 . 2]" 1
1062 1 56 ILE HA 1 56 ILE HG13 4.200 . 5.500 2.806 2.722 2.859 . 0 0 "[ . 1 . 2]" 1
1063 1 56 ILE HA 1 56 ILE MG 3.500 . 4.200 2.320 2.240 2.389 . 0 0 "[ . 1 . 2]" 1
1064 1 56 ILE HA 1 58 ALA H 4.800 . 6.700 4.414 4.199 4.713 . 0 0 "[ . 1 . 2]" 1
1065 1 56 ILE HA 1 58 ALA MB 4.700 . 6.600 5.067 4.742 5.271 . 0 0 "[ . 1 . 2]" 1
1066 1 56 ILE HA 1 59 LYS H 4.400 . 5.700 3.384 3.253 3.507 . 0 0 "[ . 1 . 2]" 1
1067 1 56 ILE HA 1 59 LYS QB 4.200 . 5.500 2.429 2.228 2.775 . 0 0 "[ . 1 . 2]" 1
1068 1 56 ILE HA 1 59 LYS QD 5.200 . 7.800 3.268 2.116 4.865 . 0 0 "[ . 1 . 2]" 1
1069 1 56 ILE HB 1 57 ARG H 3.600 . 4.500 2.611 2.468 2.752 . 0 0 "[ . 1 . 2]" 1
1070 1 56 ILE HB 1 57 ARG HA 4.700 . 6.600 4.124 4.098 4.172 . 0 0 "[ . 1 . 2]" 1
1071 1 56 ILE MD 1 56 ILE MG 3.000 . 3.600 2.395 2.250 2.585 . 0 0 "[ . 1 . 2]" 1
1072 1 56 ILE MD 1 57 ARG H 4.700 . 6.600 4.128 3.989 4.286 . 0 0 "[ . 1 . 2]" 1
1073 1 56 ILE MG 1 57 ARG H 4.600 . 6.400 3.611 3.500 3.701 . 0 0 "[ . 1 . 2]" 1
1074 1 56 ILE MG 1 57 ARG HA 4.300 . 5.600 3.677 3.585 3.761 . 0 0 "[ . 1 . 2]" 1
1075 1 56 ILE MG 1 58 ALA H 5.500 . 8.300 5.104 4.924 5.359 . 0 0 "[ . 1 . 2]" 1
1076 1 56 ILE MG 1 59 LYS H 4.700 . 6.600 4.468 4.247 4.721 . 0 0 "[ . 1 . 2]" 1
1077 1 56 ILE MG 1 60 CYS H 4.300 . 5.600 3.974 3.557 4.308 . 0 0 "[ . 1 . 2]" 1
1078 1 56 ILE MG 1 60 CYS HA 5.500 . 8.300 5.128 4.948 5.401 . 0 0 "[ . 1 . 2]" 1
1079 1 56 ILE MG 1 60 CYS QB 5.300 . 8.000 3.895 3.218 4.532 . 0 0 "[ . 1 . 2]" 1
1080 1 57 ARG H 1 57 ARG QB 3.300 . 4.000 2.151 2.101 2.227 . 0 0 "[ . 1 . 2]" 1
1081 1 57 ARG H 1 57 ARG QD 4.500 . 6.300 3.778 3.531 4.040 . 0 0 "[ . 1 . 2]" 1
1082 1 57 ARG H 1 57 ARG QG 4.600 . 6.400 4.020 3.984 4.044 . 0 0 "[ . 1 . 2]" 1
1083 1 57 ARG H 1 58 ALA H 3.800 . 4.700 2.703 2.612 2.785 . 0 0 "[ . 1 . 2]" 1
1084 1 57 ARG H 1 58 ALA MB 4.700 . 6.600 4.390 4.304 4.454 . 0 0 "[ . 1 . 2]" 1
1085 1 57 ARG HA 1 57 ARG QD 4.100 . 5.300 2.478 2.072 2.776 . 0 0 "[ . 1 . 2]" 1
1086 1 57 ARG HA 1 60 CYS H 4.100 . 5.300 3.638 3.375 3.975 . 0 0 "[ . 1 . 2]" 1
1087 1 57 ARG HA 1 60 CYS QB 4.700 . 6.600 3.280 2.588 4.247 . 0 0 "[ . 1 . 2]" 1
1088 1 57 ARG HA 1 61 VAL H 4.800 . 6.700 4.622 4.114 4.889 . 0 0 "[ . 1 . 2]" 1
1089 1 57 ARG QB 1 57 ARG HE 4.500 . 6.300 4.087 3.989 4.251 . 0 0 "[ . 1 . 2]" 1
1090 1 57 ARG QB 1 58 ALA H 3.400 . 4.100 2.561 2.370 2.717 . 0 0 "[ . 1 . 2]" 1
1091 1 57 ARG QB 1 59 LYS H 4.700 . 6.600 4.546 4.405 4.706 . 0 0 "[ . 1 . 2]" 1
1092 1 57 ARG QB 1 61 VAL H 5.500 . 8.300 5.569 5.278 5.727 . 0 0 "[ . 1 . 2]" 1
1093 1 57 ARG QD 1 60 CYS H 5.000 . 7.000 5.752 5.185 6.278 . 0 0 "[ . 1 . 2]" 1
1094 1 57 ARG QD 1 60 CYS QB 4.500 . 5.800 4.672 3.664 5.798 . 0 0 "[ . 1 . 2]" 1
1095 1 57 ARG QD 1 61 VAL QG 5.400 . 8.100 5.005 4.465 5.665 . 0 0 "[ . 1 . 2]" 1
1096 1 57 ARG QG 1 58 ALA H 4.400 . 5.700 4.067 3.896 4.279 . 0 0 "[ . 1 . 2]" 1
1097 1 57 ARG QG 1 61 VAL QG 4.400 . 5.700 3.514 3.069 4.354 . 0 0 "[ . 1 . 2]" 1
1098 1 57 ARG HG2 1 58 ALA H 5.200 . 7.800 4.745 4.508 5.054 . 0 0 "[ . 1 . 2]" 1
1099 1 57 ARG HG3 1 58 ALA H 5.200 . 7.800 4.427 4.220 4.622 . 0 0 "[ . 1 . 2]" 1
1100 1 58 ALA H 1 58 ALA MB 3.000 . 3.600 2.235 2.165 2.263 . 0 0 "[ . 1 . 2]" 1
1101 1 58 ALA H 1 59 LYS H 3.600 . 4.500 2.526 2.425 2.634 . 0 0 "[ . 1 . 2]" 1
1102 1 58 ALA HA 1 61 VAL H 4.200 . 5.500 3.574 3.414 3.893 . 0 0 "[ . 1 . 2]" 1
1103 1 58 ALA HA 1 61 VAL HB 4.000 . 5.200 3.402 2.872 4.424 . 0 0 "[ . 1 . 2]" 1
1104 1 58 ALA HA 1 61 VAL MG1 4.600 . 6.400 4.052 1.880 4.619 . 0 0 "[ . 1 . 2]" 1
1105 1 58 ALA HA 1 61 VAL QG 3.500 . 4.200 2.310 1.877 2.529 . 0 0 "[ . 1 . 2]" 1
1106 1 58 ALA HA 1 61 VAL MG2 4.600 . 6.400 2.692 2.106 4.947 . 0 0 "[ . 1 . 2]" 1
1107 1 58 ALA MB 1 59 LYS H 3.200 . 3.800 2.780 2.653 2.821 . 0 0 "[ . 1 . 2]" 1
1108 1 58 ALA MB 1 61 VAL H 5.300 . 7.900 4.692 4.566 4.991 . 0 0 "[ . 1 . 2]" 1
1109 1 58 ALA MB 1 61 VAL QG 4.200 . 5.500 3.625 3.131 3.864 . 0 0 "[ . 1 . 2]" 1
1110 1 59 LYS H 1 59 LYS QB 3.400 . 4.100 2.126 2.047 2.227 . 0 0 "[ . 1 . 2]" 1
1111 1 59 LYS H 1 60 CYS H 3.600 . 4.500 2.576 2.482 2.730 . 0 0 "[ . 1 . 2]" 1
1112 1 59 LYS HA 1 61 VAL H 5.400 . 8.100 4.278 4.085 4.584 . 0 0 "[ . 1 . 2]" 1
1113 1 59 LYS HA 1 62 GLN H 4.200 . 5.500 3.504 3.378 3.596 . 0 0 "[ . 1 . 2]" 1
1114 1 59 LYS HA 1 62 GLN HB2 4.100 . 5.300 3.263 2.743 3.783 . 0 0 "[ . 1 . 2]" 1
1115 1 59 LYS HA 1 62 GLN HB3 4.100 . 5.300 3.746 3.274 4.539 . 0 0 "[ . 1 . 2]" 1
1116 1 59 LYS QB 1 60 CYS HA 4.700 . 6.600 3.808 3.696 3.876 . 0 0 "[ . 1 . 2]" 1
1117 1 59 LYS HB2 1 60 CYS H 3.900 . 4.900 2.944 2.632 3.342 . 0 0 "[ . 1 . 2]" 1
1118 1 59 LYS HB3 1 60 CYS H 3.900 . 4.900 3.210 2.660 3.512 . 0 0 "[ . 1 . 2]" 1
1119 1 60 CYS H 1 60 CYS HB2 3.800 . 4.800 2.648 2.079 3.594 . 0 0 "[ . 1 . 2]" 1
1120 1 60 CYS H 1 60 CYS QB 3.300 . 4.000 2.289 2.060 2.515 . 0 0 "[ . 1 . 2]" 1
1121 1 60 CYS H 1 60 CYS HB3 3.800 . 4.800 3.161 2.484 3.591 . 0 0 "[ . 1 . 2]" 1
1122 1 60 CYS H 1 61 VAL H 3.800 . 4.700 2.657 2.584 2.822 . 0 0 "[ . 1 . 2]" 1
1123 1 60 CYS H 1 61 VAL HB 5.500 . 8.300 5.048 4.957 5.266 . 0 0 "[ . 1 . 2]" 1
1124 1 60 CYS H 1 61 VAL QG 4.300 . 5.600 3.843 3.754 3.954 . 0 0 "[ . 1 . 2]" 1
1125 1 60 CYS H 1 62 GLN H 5.400 . 8.100 4.242 4.038 4.483 . 0 0 "[ . 1 . 2]" 1
1126 1 60 CYS H 1 62 GLN QB 5.300 . 8.000 5.178 4.826 5.388 . 0 0 "[ . 1 . 2]" 1
1127 1 60 CYS HA 1 63 TYR H 4.100 . 5.300 3.441 3.343 3.587 . 0 0 "[ . 1 . 2]" 1
1128 1 60 CYS HA 1 63 TYR QB 4.700 . 6.600 2.533 2.233 2.870 . 0 0 "[ . 1 . 2]" 1
1129 1 60 CYS HA 1 63 TYR QD 3.900 . 4.900 2.502 2.037 2.934 . 0 0 "[ . 1 . 2]" 1
1130 1 60 CYS HA 1 64 LEU H 4.500 . 6.300 4.009 3.753 4.156 . 0 0 "[ . 1 . 2]" 1
1131 1 60 CYS HA 1 64 LEU HG 5.500 . 8.300 4.623 3.862 6.427 . 0 0 "[ . 1 . 2]" 1
1132 1 60 CYS QB 1 61 VAL QG 5.300 . 7.900 3.478 3.037 4.516 . 0 0 "[ . 1 . 2]" 1
1133 1 60 CYS QB 1 64 LEU H 5.300 . 8.000 4.769 4.554 5.124 . 0 0 "[ . 1 . 2]" 1
1134 1 60 CYS QB 1 64 LEU QD 4.300 . 5.600 2.951 2.481 4.304 . 0 0 "[ . 1 . 2]" 1
1135 1 60 CYS QB 1 64 LEU HG 4.600 . 6.400 4.337 3.932 5.140 . 0 0 "[ . 1 . 2]" 1
1136 1 60 CYS HB2 1 61 VAL H 4.200 . 5.400 3.228 2.768 3.863 . 0 0 "[ . 1 . 2]" 1
1137 1 60 CYS HB3 1 61 VAL H 4.200 . 5.400 3.545 2.432 3.967 . 0 0 "[ . 1 . 2]" 1
1138 1 61 VAL H 1 61 VAL HB 3.300 . 4.000 2.629 2.547 2.660 . 0 0 "[ . 1 . 2]" 1
1139 1 61 VAL H 1 61 VAL MG1 3.800 . 4.700 3.508 2.043 3.769 . 0 0 "[ . 1 . 2]" 1
1140 1 61 VAL H 1 61 VAL QG 3.000 . 3.600 2.056 1.955 2.148 . 0 0 "[ . 1 . 2]" 1
1141 1 61 VAL H 1 61 VAL MG2 3.800 . 4.700 2.323 1.961 3.770 . 0 0 "[ . 1 . 2]" 1
1142 1 61 VAL H 1 62 GLN H 3.700 . 4.600 2.653 2.603 2.731 . 0 0 "[ . 1 . 2]" 1
1143 1 61 VAL H 1 62 GLN QB 5.300 . 8.000 4.394 4.288 4.481 . 0 0 "[ . 1 . 2]" 1
1144 1 61 VAL H 1 63 TYR H 4.900 . 6.900 4.037 3.854 4.221 . 0 0 "[ . 1 . 2]" 1
1145 1 61 VAL HA 1 61 VAL MG1 3.400 . 4.100 2.405 2.207 3.207 . 0 0 "[ . 1 . 2]" 1
1146 1 61 VAL HA 1 61 VAL MG2 3.400 . 4.100 2.414 2.298 2.487 . 0 0 "[ . 1 . 2]" 1
1147 1 61 VAL HA 1 64 LEU H 4.300 . 5.600 3.646 3.510 3.748 . 0 0 "[ . 1 . 2]" 1
1148 1 61 VAL HA 1 64 LEU HB2 4.500 . 5.800 2.896 2.493 3.176 . 0 0 "[ . 1 . 2]" 1
1149 1 61 VAL HA 1 64 LEU QB 3.800 . 4.800 2.849 2.466 3.133 . 0 0 "[ . 1 . 2]" 1
1150 1 61 VAL HA 1 64 LEU HB3 4.500 . 5.800 4.348 3.371 4.773 . 0 0 "[ . 1 . 2]" 1
1151 1 61 VAL HA 1 64 LEU HG 4.300 . 5.600 4.696 3.908 5.067 . 0 0 "[ . 1 . 2]" 1
1152 1 61 VAL HA 1 65 ASP H 4.500 . 6.300 4.473 4.217 4.688 . 0 0 "[ . 1 . 2]" 1
1153 1 61 VAL HB 1 62 GLN H 4.000 . 5.200 2.803 2.388 3.963 . 0 0 "[ . 1 . 2]" 1
1154 1 61 VAL QG 1 62 GLN H 3.700 . 4.600 3.084 2.080 3.323 . 0 0 "[ . 1 . 2]" 1
1155 1 61 VAL QG 1 62 GLN HA 4.200 . 5.500 3.520 2.990 3.655 . 0 0 "[ . 1 . 2]" 1
1156 1 61 VAL QG 1 62 GLN QB 5.300 . 7.900 3.955 2.869 4.384 . 0 0 "[ . 1 . 2]" 1
1157 1 61 VAL MG1 1 62 GLN H 4.200 . 5.500 3.381 2.092 3.688 . 0 0 "[ . 1 . 2]" 1
1158 1 61 VAL MG2 1 62 GLN H 4.200 . 5.500 3.711 3.650 3.791 . 0 0 "[ . 1 . 2]" 1
1159 1 62 GLN H 1 62 GLN HB2 3.700 . 4.600 2.200 2.092 2.400 . 0 0 "[ . 1 . 2]" 1
1160 1 62 GLN H 1 62 GLN QB 3.100 . 3.700 2.142 2.063 2.242 . 0 0 "[ . 1 . 2]" 1
1161 1 62 GLN H 1 62 GLN HB3 3.700 . 4.600 3.042 2.689 3.480 . 0 0 "[ . 1 . 2]" 1
1162 1 62 GLN H 1 62 GLN QG 4.600 . 6.400 3.827 2.971 4.060 . 0 0 "[ . 1 . 2]" 1
1163 1 62 GLN H 1 63 TYR H 3.700 . 4.600 2.521 2.471 2.603 . 0 0 "[ . 1 . 2]" 1
1164 1 62 GLN H 1 64 LEU H 4.700 . 6.600 4.048 3.962 4.173 . 0 0 "[ . 1 . 2]" 1
1165 1 62 GLN HA 1 62 GLN HG2 4.200 . 5.500 3.226 2.118 3.639 . 0 0 "[ . 1 . 2]" 1
1166 1 62 GLN HA 1 62 GLN QG 3.700 . 4.600 2.204 2.025 2.593 . 0 0 "[ . 1 . 2]" 1
1167 1 62 GLN HA 1 62 GLN HG3 4.200 . 5.500 2.366 2.042 3.450 . 0 0 "[ . 1 . 2]" 1
1168 1 62 GLN HA 1 64 LEU H 5.100 . 7.600 4.333 4.202 4.553 . 0 0 "[ . 1 . 2]" 1
1169 1 62 GLN HA 1 65 ASP H 4.100 . 5.300 3.515 3.359 3.742 . 0 0 "[ . 1 . 2]" 1
1170 1 62 GLN HA 1 65 ASP HB2 4.100 . 5.300 2.976 2.517 3.605 . 0 0 "[ . 1 . 2]" 1
1171 1 62 GLN HA 1 65 ASP QB 3.500 . 4.200 2.845 2.488 3.306 . 0 0 "[ . 1 . 2]" 1
1172 1 62 GLN HA 1 65 ASP HB3 4.100 . 5.300 3.767 3.243 4.132 . 0 0 "[ . 1 . 2]" 1
1173 1 62 GLN QB 1 63 TYR H 4.300 . 5.600 2.738 2.605 2.891 . 0 0 "[ . 1 . 2]" 1
1174 1 62 GLN QB 1 63 TYR QD 4.600 . 6.500 4.144 3.055 4.472 . 0 0 "[ . 1 . 2]" 1
1175 1 62 GLN QG 1 63 TYR H 4.700 . 6.600 4.328 4.006 4.589 . 0 0 "[ . 1 . 2]" 1
1176 1 63 TYR H 1 63 TYR HB2 4.000 . 5.000 2.319 2.195 2.445 . 0 0 "[ . 1 . 2]" 1
1177 1 63 TYR H 1 63 TYR HB3 4.000 . 5.000 3.559 3.501 3.594 . 0 0 "[ . 1 . 2]" 1
1178 1 63 TYR H 1 63 TYR QD 3.800 . 4.800 3.243 2.971 3.465 . 0 0 "[ . 1 . 2]" 1
1179 1 63 TYR H 1 63 TYR QE 4.800 . 6.700 4.829 4.549 5.136 . 0 0 "[ . 1 . 2]" 1
1180 1 63 TYR H 1 64 LEU H 3.500 . 4.400 2.563 2.540 2.698 . 0 0 "[ . 1 . 2]" 1
1181 1 63 TYR HA 1 63 TYR QD 3.500 . 4.200 2.120 1.953 2.299 . 0 0 "[ . 1 . 2]" 1
1182 1 63 TYR HA 1 66 ARG H 4.100 . 5.300 3.482 3.344 3.727 . 0 0 "[ . 1 . 2]" 1
1183 1 63 TYR QB 1 64 LEU H 4.000 . 5.000 2.709 2.599 2.767 . 0 0 "[ . 1 . 2]" 1
1184 1 63 TYR QB 1 64 LEU HG 5.300 . 8.000 3.927 3.385 5.980 . 0 0 "[ . 1 . 2]" 1
1185 1 63 TYR HB2 1 64 LEU H 4.700 . 6.600 2.806 2.682 2.918 . 0 0 "[ . 1 . 2]" 1
1186 1 63 TYR HB3 1 64 LEU H 4.700 . 6.600 3.586 3.436 3.733 . 0 0 "[ . 1 . 2]" 1
1187 1 63 TYR QD 1 64 LEU H 4.600 . 6.400 4.525 4.394 4.643 . 0 0 "[ . 1 . 2]" 1
1188 1 63 TYR QD 1 64 LEU QD 5.500 . 8.300 5.314 5.088 5.709 . 0 0 "[ . 1 . 2]" 1
1189 1 64 LEU H 1 64 LEU HB2 3.700 . 4.600 2.208 2.065 2.410 . 0 0 "[ . 1 . 2]" 1
1190 1 64 LEU H 1 64 LEU QB 3.100 . 3.700 2.184 2.046 2.374 . 0 0 "[ . 1 . 2]" 1
1191 1 64 LEU H 1 64 LEU HB3 3.700 . 4.600 3.470 2.989 3.580 . 0 0 "[ . 1 . 2]" 1
1192 1 64 LEU H 1 64 LEU QD 4.200 . 5.400 3.175 3.024 3.445 . 0 0 "[ . 1 . 2]" 1
1193 1 64 LEU H 1 64 LEU HG 4.000 . 5.200 3.066 2.453 4.461 . 0 0 "[ . 1 . 2]" 1
1194 1 64 LEU H 1 65 ASP H 3.600 . 4.500 2.574 2.477 2.729 . 0 0 "[ . 1 . 2]" 1
1195 1 64 LEU H 1 65 ASP HA 5.500 . 8.300 5.189 5.084 5.329 . 0 0 "[ . 1 . 2]" 1
1196 1 64 LEU H 1 66 ARG H 5.100 . 7.700 4.103 3.982 4.350 . 0 0 "[ . 1 . 2]" 1
1197 1 64 LEU HA 1 64 LEU QD 3.100 . 3.700 2.398 1.966 2.553 . 0 0 "[ . 1 . 2]" 1
1198 1 64 LEU HA 1 67 ALA H 3.900 . 4.900 3.493 3.207 3.690 . 0 0 "[ . 1 . 2]" 1
1199 1 64 LEU HA 1 67 ALA MB 3.300 . 4.000 2.843 2.447 3.066 . 0 0 "[ . 1 . 2]" 1
1200 1 64 LEU HA 1 68 GLU H 4.700 . 6.600 4.462 4.257 4.698 . 0 0 "[ . 1 . 2]" 1
1201 1 64 LEU QB 1 65 ASP H 3.400 . 4.100 2.785 2.624 2.896 . 0 0 "[ . 1 . 2]" 1
1202 1 64 LEU QB 1 65 ASP HA 4.900 . 6.900 3.871 3.786 3.927 . 0 0 "[ . 1 . 2]" 1
1203 1 64 LEU QB 1 66 ARG H 5.100 . 7.600 4.687 4.546 4.846 . 0 0 "[ . 1 . 2]" 1
1204 1 64 LEU HB2 1 65 ASP H 3.900 . 4.900 2.978 2.721 3.497 . 0 0 "[ . 1 . 2]" 1
1205 1 64 LEU HB3 1 65 ASP H 3.900 . 4.900 3.453 2.712 3.772 . 0 0 "[ . 1 . 2]" 1
1206 1 64 LEU QD 1 65 ASP H 4.800 . 6.700 4.168 3.729 4.273 . 0 0 "[ . 1 . 2]" 1
1207 1 64 LEU QD 1 67 ALA MB 3.700 . 4.600 3.492 3.079 3.935 . 0 0 "[ . 1 . 2]" 1
1208 1 64 LEU QD 1 68 GLU H 5.400 . 8.100 5.023 3.908 5.506 . 0 0 "[ . 1 . 2]" 1
1209 1 64 LEU QD 1 68 GLU QG 4.800 . 6.700 4.099 3.234 5.219 . 0 0 "[ . 1 . 2]" 1
1210 1 64 LEU HG 1 65 ASP H 5.200 . 7.800 4.823 4.541 5.107 . 0 0 "[ . 1 . 2]" 1
1211 1 65 ASP H 1 65 ASP HB2 3.400 . 4.100 2.154 2.078 2.239 . 0 0 "[ . 1 . 2]" 1
1212 1 65 ASP H 1 65 ASP HB3 3.400 . 4.100 3.108 2.896 3.458 . 0 0 "[ . 1 . 2]" 1
1213 1 65 ASP H 1 66 ARG H 3.700 . 4.600 2.550 2.468 2.719 . 0 0 "[ . 1 . 2]" 1
1214 1 65 ASP HA 1 68 GLU H 4.300 . 5.600 3.636 3.459 3.851 . 0 0 "[ . 1 . 2]" 1
1215 1 65 ASP HA 1 68 GLU QB 4.100 . 5.300 2.948 2.625 3.974 . 0 0 "[ . 1 . 2]" 1
1216 1 65 ASP HA 1 68 GLU QG 4.500 . 5.800 3.582 2.067 4.897 . 0 0 "[ . 1 . 2]" 1
1217 1 65 ASP QB 1 66 ARG H 3.500 . 4.400 2.800 2.442 2.938 . 0 0 "[ . 1 . 2]" 1
1218 1 65 ASP QB 1 66 ARG HA 4.600 . 6.400 3.863 3.789 3.911 . 0 0 "[ . 1 . 2]" 1
1219 1 65 ASP HB2 1 66 ARG H 4.100 . 5.300 3.452 3.102 3.642 . 0 0 "[ . 1 . 2]" 1
1220 1 65 ASP HB3 1 66 ARG H 4.100 . 5.300 3.010 2.499 3.484 . 0 0 "[ . 1 . 2]" 1
1221 1 66 ARG H 1 67 ALA H 3.800 . 4.700 2.537 2.403 2.753 . 0 0 "[ . 1 . 2]" 1
1222 1 66 ARG H 1 67 ALA MB 4.300 . 5.600 4.190 4.036 4.342 . 0 0 "[ . 1 . 2]" 1
1223 1 66 ARG H 1 68 GLU H 4.700 . 6.600 4.028 3.864 4.276 . 0 0 "[ . 1 . 2]" 1
1224 1 66 ARG HA 1 66 ARG QD 4.200 . 5.400 3.097 2.128 3.891 . 0 0 "[ . 1 . 2]" 1
1225 1 66 ARG HA 1 66 ARG HE 4.600 . 6.400 3.037 2.148 4.466 . 0 0 "[ . 1 . 2]" 1
1226 1 66 ARG HA 1 69 LYS H 4.500 . 5.800 3.462 3.280 3.734 . 0 0 "[ . 1 . 2]" 1
1227 1 66 ARG HA 1 69 LYS QB 3.700 . 4.600 2.997 2.696 3.268 . 0 0 "[ . 1 . 2]" 1
1228 1 66 ARG HA 1 70 LEU QD 4.700 . 6.600 4.269 3.914 4.611 . 0 0 "[ . 1 . 2]" 1
1229 1 66 ARG QB 1 70 LEU QD 4.300 . 5.600 3.206 2.666 3.690 . 0 0 "[ . 1 . 2]" 1
1230 1 66 ARG HE 1 69 LYS QB 4.500 . 6.300 3.791 2.999 5.257 . 0 0 "[ . 1 . 2]" 1
1231 1 66 ARG HE 1 69 LYS QD 4.200 . 5.500 4.315 2.835 5.438 . 0 0 "[ . 1 . 2]" 1
1232 1 66 ARG HE 1 70 LEU MD1 5.500 . 8.300 4.867 3.505 5.778 . 0 0 "[ . 1 . 2]" 1
1233 1 66 ARG HE 1 70 LEU QD 4.400 . 5.700 4.088 2.227 5.163 . 0 0 "[ . 1 . 2]" 1
1234 1 66 ARG HE 1 70 LEU MD2 5.500 . 8.300 4.463 2.245 6.024 . 0 0 "[ . 1 . 2]" 1
1235 1 67 ALA H 1 67 ALA MB 3.100 . 3.700 2.173 2.076 2.258 . 0 0 "[ . 1 . 2]" 1
1236 1 67 ALA H 1 68 GLU H 3.800 . 4.700 2.641 2.470 2.762 . 0 0 "[ . 1 . 2]" 1
1237 1 67 ALA H 1 70 LEU QD 4.400 . 5.700 3.939 3.606 4.286 . 0 0 "[ . 1 . 2]" 1
1238 1 67 ALA HA 1 70 LEU QB 4.000 . 5.000 2.874 2.620 3.290 . 0 0 "[ . 1 . 2]" 1
1239 1 67 ALA HA 1 70 LEU QD 3.700 . 4.600 2.145 1.888 2.580 . 0 0 "[ . 1 . 2]" 1
1240 1 67 ALA HA 1 70 LEU HG 4.400 . 5.700 3.301 2.768 3.960 . 0 0 "[ . 1 . 2]" 1
1241 1 67 ALA MB 1 68 GLU H 3.600 . 4.500 2.733 2.456 2.864 . 0 0 "[ . 1 . 2]" 1
1242 1 67 ALA MB 1 68 GLU QG 4.900 . 6.900 3.750 3.105 5.067 . 0 0 "[ . 1 . 2]" 1
1243 1 67 ALA MB 1 70 LEU QD 3.700 . 4.600 3.281 3.017 3.570 . 0 0 "[ . 1 . 2]" 1
1244 1 68 GLU H 1 68 GLU QB 3.300 . 4.000 2.194 2.076 2.589 . 0 0 "[ . 1 . 2]" 1
1245 1 68 GLU H 1 68 GLU QG 3.500 . 4.400 2.918 2.136 3.926 . 0 0 "[ . 1 . 2]" 1
1246 1 68 GLU H 1 69 LYS H 3.600 . 4.500 2.587 2.445 2.689 . 0 0 "[ . 1 . 2]" 1
1247 1 68 GLU H 1 70 LEU H 5.000 . 7.000 3.994 3.869 4.272 . 0 0 "[ . 1 . 2]" 1
1248 1 68 GLU HA 1 71 LYS H 4.500 . 5.800 3.609 3.425 3.795 . 0 0 "[ . 1 . 2]" 1
1249 1 68 GLU HA 1 71 LYS QB 4.400 . 5.700 3.483 2.782 4.158 . 0 0 "[ . 1 . 2]" 1
1250 1 68 GLU HA 1 71 LYS QD 4.300 . 5.600 3.844 2.884 4.617 . 0 0 "[ . 1 . 2]" 1
1251 1 68 GLU QB 1 69 LYS H 3.800 . 4.700 2.740 2.473 3.493 . 0 0 "[ . 1 . 2]" 1
1252 1 68 GLU QG 1 69 LYS H 4.500 . 6.300 4.229 2.034 4.506 . 0 0 "[ . 1 . 2]" 1
1253 1 69 LYS H 1 69 LYS HB2 3.600 . 4.500 2.264 2.114 2.429 . 0 0 "[ . 1 . 2]" 1
1254 1 69 LYS H 1 69 LYS QB 3.100 . 3.700 2.174 2.078 2.253 . 0 0 "[ . 1 . 2]" 1
1255 1 69 LYS H 1 69 LYS HB3 3.600 . 4.500 2.881 2.613 3.486 . 0 0 "[ . 1 . 2]" 1
1256 1 69 LYS H 1 69 LYS QG 4.100 . 5.300 3.851 2.908 4.056 . 0 0 "[ . 1 . 2]" 1
1257 1 69 LYS H 1 70 LEU H 3.700 . 4.600 2.553 2.469 2.715 . 0 0 "[ . 1 . 2]" 1
1258 1 69 LYS H 1 70 LEU MD1 5.500 . 8.300 4.909 4.486 5.248 . 0 0 "[ . 1 . 2]" 1
1259 1 69 LYS H 1 70 LEU MD2 5.500 . 8.300 5.365 4.824 5.877 . 0 0 "[ . 1 . 2]" 1
1260 1 69 LYS HA 1 69 LYS QD 4.400 . 5.700 3.486 2.339 4.145 . 0 0 "[ . 1 . 2]" 1
1261 1 69 LYS HA 1 72 ASP HB2 4.300 . 5.600 2.804 2.337 3.627 . 0 0 "[ . 1 . 2]" 1
1262 1 69 LYS HA 1 72 ASP QB 3.700 . 4.600 2.689 2.312 3.152 . 0 0 "[ . 1 . 2]" 1
1263 1 69 LYS HA 1 72 ASP HB3 4.300 . 5.600 3.748 3.170 4.221 . 0 0 "[ . 1 . 2]" 1
1264 1 69 LYS QD 1 73 TYR QD 4.900 . 6.900 5.086 3.482 6.755 . 0 0 "[ . 1 . 2]" 1
1265 1 69 LYS QE 1 69 LYS QG 3.200 . 3.800 2.082 1.950 2.214 . 0 0 "[ . 1 . 2]" 1
1266 1 69 LYS QE 1 73 TYR QD 5.500 . 8.300 4.747 2.626 6.433 . 0 0 "[ . 1 . 2]" 1
1267 1 69 LYS QG 1 70 LEU H 4.100 . 5.300 4.360 4.027 4.537 . 0 0 "[ . 1 . 2]" 1
1268 1 69 LYS QG 1 73 TYR QD 5.000 . 7.000 5.018 4.054 6.082 . 0 0 "[ . 1 . 2]" 1
1269 1 70 LEU H 1 70 LEU HB2 3.900 . 4.900 2.459 2.349 2.652 . 0 0 "[ . 1 . 2]" 1
1270 1 70 LEU H 1 70 LEU QB 3.400 . 4.100 2.418 2.318 2.587 . 0 0 "[ . 1 . 2]" 1
1271 1 70 LEU H 1 70 LEU HB3 3.900 . 4.900 3.584 3.565 3.596 . 0 0 "[ . 1 . 2]" 1
1272 1 70 LEU H 1 70 LEU MD1 4.100 . 5.300 3.446 3.093 3.656 . 0 0 "[ . 1 . 2]" 1
1273 1 70 LEU H 1 70 LEU QD 3.600 . 4.500 3.095 2.908 3.219 . 0 0 "[ . 1 . 2]" 1
1274 1 70 LEU H 1 70 LEU MD2 4.100 . 5.300 3.558 3.138 3.827 . 0 0 "[ . 1 . 2]" 1
1275 1 70 LEU H 1 70 LEU HG 3.600 . 4.500 2.327 1.998 2.586 . 0 0 "[ . 1 . 2]" 1
1276 1 70 LEU HA 1 70 LEU QD 3.400 . 4.100 2.179 1.967 2.528 . 0 0 "[ . 1 . 2]" 1
1277 1 70 LEU HA 1 73 TYR H 4.400 . 5.700 3.582 3.338 3.796 . 0 0 "[ . 1 . 2]" 1
1278 1 70 LEU HA 1 73 TYR QB 3.900 . 4.900 2.829 2.464 3.288 . 0 0 "[ . 1 . 2]" 1
1279 1 70 LEU HA 1 73 TYR QD 4.800 . 6.700 4.671 4.298 5.157 . 0 0 "[ . 1 . 2]" 1
1280 1 70 LEU HA 1 74 LEU H 5.200 . 7.800 4.260 3.932 4.621 . 0 0 "[ . 1 . 2]" 1
1281 1 70 LEU QB 1 71 LYS H 3.700 . 4.600 2.507 2.350 2.667 . 0 0 "[ . 1 . 2]" 1
1282 1 70 LEU QB 1 74 LEU QD 4.500 . 6.300 3.106 2.792 3.366 . 0 0 "[ . 1 . 2]" 1
1283 1 70 LEU HB2 1 71 LYS H 4.500 . 5.800 2.562 2.388 2.730 . 0 0 "[ . 1 . 2]" 1
1284 1 70 LEU HB3 1 71 LYS H 4.500 . 5.800 3.567 3.321 3.825 . 0 0 "[ . 1 . 2]" 1
1285 1 70 LEU QD 1 71 LYS H 5.000 . 7.000 3.994 3.801 4.090 . 0 0 "[ . 1 . 2]" 1
1286 1 71 LYS H 1 71 LYS QB 3.500 . 4.400 2.298 2.109 2.639 . 0 0 "[ . 1 . 2]" 1
1287 1 71 LYS H 1 71 LYS QD 4.200 . 5.500 4.318 4.091 4.581 . 0 0 "[ . 1 . 2]" 1
1288 1 71 LYS H 1 71 LYS QE 5.500 . 8.300 5.014 3.509 5.681 . 0 0 "[ . 1 . 2]" 1
1289 1 71 LYS H 1 71 LYS HG2 4.500 . 6.300 3.666 2.029 4.590 . 0 0 "[ . 1 . 2]" 1
1290 1 71 LYS H 1 71 LYS QG 3.900 . 4.900 3.222 1.999 3.952 . 0 0 "[ . 1 . 2]" 1
1291 1 71 LYS H 1 71 LYS HG3 4.500 . 6.300 3.656 2.504 4.428 . 0 0 "[ . 1 . 2]" 1
1292 1 71 LYS H 1 72 ASP H 3.600 . 4.500 2.624 2.509 2.773 . 0 0 "[ . 1 . 2]" 1
1293 1 71 LYS H 1 72 ASP QB 5.300 . 8.000 4.347 4.185 4.474 . 0 0 "[ . 1 . 2]" 1
1294 1 71 LYS H 1 74 LEU QD 5.100 . 7.600 3.771 3.625 3.972 . 0 0 "[ . 1 . 2]" 1
1295 1 71 LYS HA 1 71 LYS HG2 4.000 . 5.200 2.974 2.117 3.957 . 0 0 "[ . 1 . 2]" 1
1296 1 71 LYS HA 1 71 LYS HG3 4.000 . 5.200 3.047 2.295 3.728 . 0 0 "[ . 1 . 2]" 1
1297 1 71 LYS HA 1 73 TYR H 5.100 . 7.600 4.108 3.956 4.314 . 0 0 "[ . 1 . 2]" 1
1298 1 71 LYS HA 1 74 LEU H 3.900 . 4.900 3.587 3.440 3.762 . 0 0 "[ . 1 . 2]" 1
1299 1 71 LYS HA 1 74 LEU QB 5.300 . 8.000 4.114 3.908 4.322 . 0 0 "[ . 1 . 2]" 1
1300 1 71 LYS HA 1 74 LEU MD1 4.500 . 5.800 2.857 2.585 3.101 . 0 0 "[ . 1 . 2]" 1
1301 1 71 LYS HA 1 74 LEU QD 3.500 . 4.400 2.051 1.925 2.275 . 0 0 "[ . 1 . 2]" 1
1302 1 71 LYS HA 1 74 LEU MD2 4.500 . 5.800 2.105 1.955 2.345 . 0 0 "[ . 1 . 2]" 1
1303 1 71 LYS HA 1 74 LEU HG 3.500 . 4.200 2.212 1.972 2.416 . 0 0 "[ . 1 . 2]" 1
1304 1 71 LYS HA 1 75 ARG H 4.900 . 6.900 3.843 3.636 4.121 . 0 0 "[ . 1 . 2]" 1
1305 1 71 LYS QB 1 72 ASP H 3.700 . 4.600 2.836 2.401 3.515 . 0 0 "[ . 1 . 2]" 1
1306 1 71 LYS QE 1 74 LEU QD 5.400 . 8.100 4.276 3.439 5.205 . 0 0 "[ . 1 . 2]" 1
1307 1 71 LYS QG 1 72 ASP H 5.300 . 8.000 3.411 1.980 4.297 . 0 0 "[ . 1 . 2]" 1
1308 1 71 LYS QG 1 74 LEU QD 4.200 . 5.500 3.090 2.189 4.232 . 0 0 "[ . 1 . 2]" 1
1309 1 72 ASP H 1 72 ASP HB2 3.600 . 4.500 2.149 2.076 2.317 . 0 0 "[ . 1 . 2]" 1
1310 1 72 ASP H 1 72 ASP QB 3.100 . 3.700 2.119 2.052 2.213 . 0 0 "[ . 1 . 2]" 1
1311 1 72 ASP H 1 72 ASP HB3 3.600 . 4.500 3.301 2.806 3.517 . 0 0 "[ . 1 . 2]" 1
1312 1 72 ASP H 1 73 TYR H 3.600 . 4.500 2.595 2.473 2.686 . 0 0 "[ . 1 . 2]" 1
1313 1 72 ASP H 1 73 TYR QB 4.900 . 6.900 4.371 4.253 4.464 . 0 0 "[ . 1 . 2]" 1
1314 1 72 ASP H 1 74 LEU H 5.200 . 7.800 4.434 4.330 4.511 . 0 0 "[ . 1 . 2]" 1
1315 1 72 ASP H 1 74 LEU QD 5.400 . 8.100 4.439 4.270 4.623 . 0 0 "[ . 1 . 2]" 1
1316 1 72 ASP H 1 75 ARG QG 5.300 . 8.000 4.864 4.066 6.553 . 0 0 "[ . 1 . 2]" 1
1317 1 72 ASP HA 1 75 ARG H 4.500 . 6.300 3.661 3.450 3.956 . 0 0 "[ . 1 . 2]" 1
1318 1 72 ASP HA 1 75 ARG QB 3.800 . 4.800 2.656 2.207 3.834 . 0 0 "[ . 1 . 2]" 1
1319 1 72 ASP HA 1 75 ARG QD 4.300 . 5.600 3.718 1.975 4.409 . 0 0 "[ . 1 . 2]" 1
1320 1 72 ASP HA 1 75 ARG QG 4.500 . 5.800 3.603 1.946 4.937 . 0 0 "[ . 1 . 2]" 1
1321 1 72 ASP QB 1 73 TYR H 3.600 . 4.500 2.902 2.750 2.946 . 0 0 "[ . 1 . 2]" 1
1322 1 72 ASP HB2 1 73 TYR H 4.100 . 5.300 3.308 3.056 3.755 . 0 0 "[ . 1 . 2]" 1
1323 1 72 ASP HB3 1 73 TYR H 4.100 . 5.300 3.313 2.828 3.599 . 0 0 "[ . 1 . 2]" 1
1324 1 73 TYR H 1 73 TYR QB 3.200 . 3.800 2.264 2.255 2.272 . 0 0 "[ . 1 . 2]" 1
1325 1 73 TYR H 1 73 TYR QD 4.200 . 5.500 4.197 4.179 4.206 . 0 0 "[ . 1 . 2]" 1
1326 1 73 TYR H 1 74 LEU H 3.800 . 4.700 2.623 2.562 2.713 . 0 0 "[ . 1 . 2]" 1
1327 1 73 TYR H 1 74 LEU QD 5.100 . 7.600 4.182 4.048 4.301 . 0 0 "[ . 1 . 2]" 1
1328 1 73 TYR HA 1 73 TYR QD 3.400 . 4.100 3.066 2.812 3.161 . 0 0 "[ . 1 . 2]" 1
1329 1 73 TYR QB 1 74 LEU H 3.700 . 4.600 2.389 2.376 2.438 . 0 0 "[ . 1 . 2]" 1
1330 1 73 TYR QD 1 74 LEU H 4.000 . 5.200 3.090 2.935 3.246 . 0 0 "[ . 1 . 2]" 1
1331 1 73 TYR QD 1 74 LEU HA 3.900 . 4.900 2.868 2.608 3.316 . 0 0 "[ . 1 . 2]" 1
1332 1 73 TYR QD 1 74 LEU QB 4.700 . 6.600 3.306 3.264 3.354 . 0 0 "[ . 1 . 2]" 1
1333 1 73 TYR QD 1 74 LEU QD 3.800 . 4.800 4.319 4.245 4.411 . 0 0 "[ . 1 . 2]" 1
1334 1 73 TYR QD 1 74 LEU HG 5.100 . 7.600 4.763 4.670 4.907 . 0 0 "[ . 1 . 2]" 1
1335 1 73 TYR QE 1 74 LEU H 5.000 . 7.500 5.346 5.222 5.405 . 0 0 "[ . 1 . 2]" 1
1336 1 73 TYR QE 1 74 LEU HA 4.100 . 5.300 4.287 4.014 4.569 . 0 0 "[ . 1 . 2]" 1
1337 1 73 TYR QE 1 74 LEU QB 3.900 . 4.900 4.900 4.893 4.903 0.003 17 0 "[ . 1 . 2]" 1
1338 1 74 LEU H 1 74 LEU QB 3.600 . 4.500 2.588 2.539 2.618 . 0 0 "[ . 1 . 2]" 1
1339 1 74 LEU H 1 74 LEU MD1 4.200 . 5.400 3.534 3.429 3.676 . 0 0 "[ . 1 . 2]" 1
1340 1 74 LEU H 1 74 LEU MD2 4.200 . 5.400 3.041 2.881 3.236 . 0 0 "[ . 1 . 2]" 1
1341 1 74 LEU H 1 74 LEU HG 3.800 . 4.700 2.011 1.972 2.155 . 0 0 "[ . 1 . 2]" 1
1342 1 74 LEU H 1 75 ARG H 3.600 . 4.500 2.565 2.484 2.722 . 0 0 "[ . 1 . 2]" 1
1343 1 74 LEU H 1 76 SER H 5.000 . 7.000 4.210 3.947 4.477 . 0 0 "[ . 1 . 2]" 1
1344 1 74 LEU QB 1 75 ARG H 4.100 . 5.300 3.446 3.305 3.546 . 0 0 "[ . 1 . 2]" 1
1345 1 74 LEU HB2 1 75 ARG H 4.800 . 6.700 3.760 3.562 3.898 . 0 0 "[ . 1 . 2]" 1
1346 1 74 LEU HB3 1 75 ARG H 4.800 . 6.700 4.006 3.913 4.088 . 0 0 "[ . 1 . 2]" 1
1347 1 74 LEU QD 1 75 ARG H 4.800 . 6.700 2.324 1.991 2.590 . 0 0 "[ . 1 . 2]" 1
1348 1 74 LEU QD 1 75 ARG QG 3.800 . 4.700 2.311 1.834 3.429 . 0 0 "[ . 1 . 2]" 1
1349 1 74 LEU HG 1 75 ARG H 3.600 . 4.500 2.235 2.012 2.458 . 0 0 "[ . 1 . 2]" 1
1350 1 75 ARG H 1 75 ARG QB 3.700 . 4.600 2.224 2.091 2.416 . 0 0 "[ . 1 . 2]" 1
1351 1 75 ARG H 1 75 ARG HG2 4.100 . 5.300 3.438 2.297 4.525 . 0 0 "[ . 1 . 2]" 1
1352 1 75 ARG H 1 75 ARG HG3 4.100 . 5.300 3.143 2.793 4.203 . 0 0 "[ . 1 . 2]" 1
1353 1 75 ARG H 1 76 SER H 3.400 . 4.100 2.645 2.495 2.821 . 0 0 "[ . 1 . 2]" 1
1354 1 75 ARG HA 1 75 ARG QD 4.000 . 5.200 3.793 3.269 4.253 . 0 0 "[ . 1 . 2]" 1
1355 1 75 ARG HA 1 75 ARG HG2 4.000 . 5.000 2.477 2.065 3.941 . 0 0 "[ . 1 . 2]" 1
1356 1 75 ARG HA 1 75 ARG HG3 4.000 . 5.000 3.233 2.537 3.705 . 0 0 "[ . 1 . 2]" 1
1357 1 75 ARG QB 1 76 SER H 3.700 . 4.600 2.732 2.402 3.549 . 0 0 "[ . 1 . 2]" 1
1358 1 75 ARG QG 1 76 SER H 5.000 . 7.500 3.972 2.074 4.405 . 0 0 "[ . 1 . 2]" 1
1359 1 76 SER H 1 76 SER QB 3.200 . 3.800 2.208 2.105 2.508 . 0 0 "[ . 1 . 2]" 1
1360 1 76 SER H 1 77 LYS H 4.700 . 6.600 2.739 2.568 2.899 . 0 0 "[ . 1 . 2]" 1
1361 1 76 SER HA 1 77 LYS H 3.500 . 4.400 3.554 3.496 3.574 . 0 0 "[ . 1 . 2]" 1
1362 1 76 SER HA 1 77 LYS QB 5.300 . 8.000 5.231 5.138 5.504 . 0 0 "[ . 1 . 2]" 1
1363 1 76 SER QB 1 77 LYS H 3.900 . 4.900 2.539 2.195 3.344 . 0 0 "[ . 1 . 2]" 1
1364 1 77 LYS H 1 77 LYS HB2 3.800 . 4.700 2.406 2.097 3.600 . 0 0 "[ . 1 . 2]" 1
1365 1 77 LYS H 1 77 LYS QB 3.100 . 3.700 2.220 2.068 2.608 . 0 0 "[ . 1 . 2]" 1
1366 1 77 LYS H 1 77 LYS HB3 3.800 . 4.700 2.871 2.593 3.175 . 0 0 "[ . 1 . 2]" 1
1367 1 77 LYS H 1 77 LYS QD 4.500 . 5.800 4.228 3.465 4.619 . 0 0 "[ . 1 . 2]" 1
1368 1 77 LYS HA 1 77 LYS QD 4.500 . 5.800 3.586 2.748 4.123 . 0 0 "[ . 1 . 2]" 1
1369 1 77 LYS HA 1 77 LYS QG 3.800 . 4.700 2.311 2.086 3.346 . 0 0 "[ . 1 . 2]" 1
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