NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
460905 |
2d8j   |
11214 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2d8j
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 1294
_Distance_constraint_stats_list.Viol_count 53
_Distance_constraint_stats_list.Viol_total 1.213
_Distance_constraint_stats_list.Viol_max 0.007
_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 0.0011
_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 6 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 7 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 8 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 9 TYR 0.002 0.001 7 0 "[ . 1 . 2]"
1 10 PHE 0.003 0.001 12 0 "[ . 1 . 2]"
1 11 VAL 0.004 0.001 15 0 "[ . 1 . 2]"
1 12 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 13 LEU 0.001 0.001 19 0 "[ . 1 . 2]"
1 14 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 15 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 16 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 17 GLN 0.009 0.004 16 0 "[ . 1 . 2]"
1 18 ALA 0.009 0.004 16 0 "[ . 1 . 2]"
1 19 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 20 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 21 ALA 0.000 0.000 . 0 "[ . 1 . 2]"
1 22 GLU 0.000 0.000 . 0 "[ . 1 . 2]"
1 23 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 24 LEU 0.000 0.000 5 0 "[ . 1 . 2]"
1 25 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 26 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 27 ARG 0.000 0.000 13 0 "[ . 1 . 2]"
1 28 ALA 0.000 0.000 5 0 "[ . 1 . 2]"
1 29 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 30 ASP 0.000 0.000 13 0 "[ . 1 . 2]"
1 31 LYS 0.004 0.003 13 0 "[ . 1 . 2]"
1 32 LEU 0.003 0.003 13 0 "[ . 1 . 2]"
1 33 GLN 0.001 0.001 20 0 "[ . 1 . 2]"
1 34 VAL 0.001 0.001 20 0 "[ . 1 . 2]"
1 35 LEU 0.004 0.002 18 0 "[ . 1 . 2]"
1 36 ASP 0.000 0.000 . 0 "[ . 1 . 2]"
1 37 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 38 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 HIS 0.000 0.000 . 0 "[ . 1 . 2]"
1 40 GLU 0.000 0.000 18 0 "[ . 1 . 2]"
1 41 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 42 TRP 0.008 0.003 20 0 "[ . 1 . 2]"
1 43 TRP 0.004 0.002 20 0 "[ . 1 . 2]"
1 44 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 45 ALA 0.000 0.000 5 0 "[ . 1 . 2]"
1 46 ARG 0.005 0.003 18 0 "[ . 1 . 2]"
1 47 HIS 0.001 0.001 5 0 "[ . 1 . 2]"
1 48 LEU 0.001 0.001 15 0 "[ . 1 . 2]"
1 49 GLU 0.002 0.001 5 0 "[ . 1 . 2]"
1 50 LYS 0.000 0.000 . 0 "[ . 1 . 2]"
1 51 LYS 0.007 0.006 19 0 "[ . 1 . 2]"
1 53 THR 0.000 0.000 . 0 "[ . 1 . 2]"
1 54 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 55 LEU 0.000 0.000 . 0 "[ . 1 . 2]"
1 56 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 57 GLN 0.001 0.001 17 0 "[ . 1 . 2]"
1 58 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 59 LEU 0.001 0.001 20 0 "[ . 1 . 2]"
1 60 GLN 0.001 0.001 20 0 "[ . 1 . 2]"
1 61 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 ILE 0.001 0.001 18 0 "[ . 1 . 2]"
1 64 PRO 0.002 0.001 18 0 "[ . 1 . 2]"
1 65 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 66 ASN 0.000 0.000 . 0 "[ . 1 . 2]"
1 67 TYR 0.000 0.000 . 0 "[ . 1 . 2]"
1 68 VAL 0.002 0.001 12 0 "[ . 1 . 2]"
1 69 ALA 0.000 0.000 19 0 "[ . 1 . 2]"
1 70 GLU 0.011 0.007 20 0 "[ . 1 . 2]"
1 71 ASP 0.004 0.001 7 0 "[ . 1 . 2]"
1 72 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 73 GLY 0.000 0.000 . 0 "[ . 1 . 2]"
1 74 PRO 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 6 SER QB 1 7 GLY H . . 4.120 3.064 2.222 3.923 . 0 0 "[ . 1 . 2]" 1
2 1 7 GLY H 1 8 GLN H . . 4.790 3.692 2.255 4.585 . 0 0 "[ . 1 . 2]" 1
3 1 7 GLY QA 1 8 GLN H . . 3.180 2.243 2.111 2.730 . 0 0 "[ . 1 . 2]" 1
4 1 7 GLY QA 1 9 TYR H . . 5.390 4.891 4.586 5.264 . 0 0 "[ . 1 . 2]" 1
5 1 7 GLY QA 1 9 TYR QD . . 5.270 4.512 4.162 4.874 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLY QA 1 9 TYR QE . . 4.270 3.578 3.010 4.127 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLY QA 1 33 GLN QE . . 4.470 3.149 2.010 4.320 . 0 0 "[ . 1 . 2]" 1
8 1 8 GLN H 1 8 GLN QB . . 3.480 2.369 2.166 2.689 . 0 0 "[ . 1 . 2]" 1
9 1 8 GLN H 1 8 GLN QG . . 3.630 2.983 2.482 3.620 . 0 0 "[ . 1 . 2]" 1
10 1 8 GLN HA 1 8 GLN QG . . 3.280 2.374 2.209 2.526 . 0 0 "[ . 1 . 2]" 1
11 1 8 GLN HA 1 9 TYR H . . 2.920 2.160 2.141 2.197 . 0 0 "[ . 1 . 2]" 1
12 1 8 GLN HA 1 9 TYR QD . . 4.810 4.429 4.148 4.647 . 0 0 "[ . 1 . 2]" 1
13 1 8 GLN HA 1 10 PHE QE . . 4.430 4.172 3.771 4.429 . 0 0 "[ . 1 . 2]" 1
14 1 8 GLN HA 1 34 VAL H . . 5.210 5.110 4.923 5.210 . 0 0 "[ . 1 . 2]" 1
15 1 8 GLN HA 1 34 VAL HB . . 5.460 5.140 4.918 5.406 . 0 0 "[ . 1 . 2]" 1
16 1 8 GLN QB 1 9 TYR H . . 3.680 3.488 3.184 3.668 . 0 0 "[ . 1 . 2]" 1
17 1 8 GLN QB 1 10 PHE QD . . 4.720 3.095 2.802 3.407 . 0 0 "[ . 1 . 2]" 1
18 1 8 GLN QB 1 10 PHE HZ . . 5.340 4.172 3.533 4.630 . 0 0 "[ . 1 . 2]" 1
19 1 8 GLN QB 1 34 VAL H . . 4.160 3.431 2.960 3.978 . 0 0 "[ . 1 . 2]" 1
20 1 8 GLN HB2 1 8 GLN QG . . 2.790 2.376 2.156 2.467 . 0 0 "[ . 1 . 2]" 1
21 1 8 GLN HB2 1 10 PHE QE . . 4.380 3.421 2.135 4.074 . 0 0 "[ . 1 . 2]" 1
22 1 8 GLN HB3 1 8 GLN QG . . 2.790 2.280 2.144 2.408 . 0 0 "[ . 1 . 2]" 1
23 1 8 GLN HB3 1 10 PHE QE . . 4.380 2.084 1.999 2.429 . 0 0 "[ . 1 . 2]" 1
24 1 8 GLN QG 1 9 TYR H . . 4.290 4.146 3.755 4.280 . 0 0 "[ . 1 . 2]" 1
25 1 9 TYR H 1 9 TYR HB2 . . 3.240 2.686 2.587 2.759 . 0 0 "[ . 1 . 2]" 1
26 1 9 TYR H 1 9 TYR HB3 . . 3.950 3.690 3.647 3.727 . 0 0 "[ . 1 . 2]" 1
27 1 9 TYR H 1 9 TYR QD . . 3.760 3.071 2.682 3.263 . 0 0 "[ . 1 . 2]" 1
28 1 9 TYR H 1 9 TYR QE . . 4.950 4.464 4.234 4.619 . 0 0 "[ . 1 . 2]" 1
29 1 9 TYR H 1 10 PHE H . . 4.750 4.498 4.407 4.587 . 0 0 "[ . 1 . 2]" 1
30 1 9 TYR H 1 10 PHE QE . . 4.990 4.600 4.288 4.850 . 0 0 "[ . 1 . 2]" 1
31 1 9 TYR HA 1 9 TYR QD . . 3.530 2.475 2.288 2.737 . 0 0 "[ . 1 . 2]" 1
32 1 9 TYR HA 1 10 PHE H . . 2.890 2.187 2.140 2.284 . 0 0 "[ . 1 . 2]" 1
33 1 9 TYR HA 1 10 PHE HA . . 5.180 4.410 4.388 4.458 . 0 0 "[ . 1 . 2]" 1
34 1 9 TYR HA 1 10 PHE HB2 . . 4.660 4.284 4.180 4.389 . 0 0 "[ . 1 . 2]" 1
35 1 9 TYR HA 1 10 PHE QD . . 4.120 3.327 2.997 3.572 . 0 0 "[ . 1 . 2]" 1
36 1 9 TYR HA 1 33 GLN HA . . 3.620 2.306 2.069 2.675 . 0 0 "[ . 1 . 2]" 1
37 1 9 TYR HA 1 33 GLN HB2 . . 4.910 3.802 3.383 4.256 . 0 0 "[ . 1 . 2]" 1
38 1 9 TYR HA 1 33 GLN QG . . 4.770 3.379 3.108 3.723 . 0 0 "[ . 1 . 2]" 1
39 1 9 TYR HA 1 34 VAL H . . 4.180 3.301 3.069 3.783 . 0 0 "[ . 1 . 2]" 1
40 1 9 TYR HA 1 48 LEU MD1 . . 4.580 3.654 3.224 3.947 . 0 0 "[ . 1 . 2]" 1
41 1 9 TYR HB2 1 10 PHE H . . 4.100 3.931 3.640 4.100 0.000 18 0 "[ . 1 . 2]" 1
42 1 9 TYR HB2 1 48 LEU MD1 . . 5.220 4.749 4.339 5.137 . 0 0 "[ . 1 . 2]" 1
43 1 9 TYR HB2 1 71 ASP HB2 . . 5.500 5.436 4.725 5.501 0.001 7 0 "[ . 1 . 2]" 1
44 1 9 TYR HB2 1 71 ASP HB3 . . 4.480 4.231 3.388 4.445 . 0 0 "[ . 1 . 2]" 1
45 1 9 TYR HB3 1 10 PHE H . . 3.690 3.144 2.792 3.440 . 0 0 "[ . 1 . 2]" 1
46 1 9 TYR HB3 1 48 LEU MD1 . . 4.300 3.352 2.960 3.713 . 0 0 "[ . 1 . 2]" 1
47 1 9 TYR HB3 1 48 LEU MD2 . . 5.500 5.217 4.743 5.485 . 0 0 "[ . 1 . 2]" 1
48 1 9 TYR HB3 1 71 ASP HB3 . . 5.000 4.744 3.665 5.000 0.000 14 0 "[ . 1 . 2]" 1
49 1 9 TYR HB3 1 73 GLY QA . . 5.490 5.008 4.188 5.485 . 0 0 "[ . 1 . 2]" 1
50 1 9 TYR QD 1 10 PHE H . . 4.300 4.214 4.083 4.300 0.000 11 0 "[ . 1 . 2]" 1
51 1 9 TYR QD 1 33 GLN HA . . 4.120 3.024 2.604 3.501 . 0 0 "[ . 1 . 2]" 1
52 1 9 TYR QD 1 33 GLN HB2 . . 4.110 2.524 2.162 3.111 . 0 0 "[ . 1 . 2]" 1
53 1 9 TYR QD 1 33 GLN HG2 . . 4.790 4.102 2.626 4.587 . 0 0 "[ . 1 . 2]" 1
54 1 9 TYR QD 1 33 GLN QG . . 4.110 2.603 2.025 3.152 . 0 0 "[ . 1 . 2]" 1
55 1 9 TYR QD 1 33 GLN HG3 . . 4.790 2.671 2.035 3.369 . 0 0 "[ . 1 . 2]" 1
56 1 9 TYR QD 1 48 LEU MD1 . . 3.520 2.600 2.121 3.014 . 0 0 "[ . 1 . 2]" 1
57 1 9 TYR QD 1 48 LEU MD2 . . 4.200 3.544 3.039 3.958 . 0 0 "[ . 1 . 2]" 1
58 1 9 TYR QD 1 73 GLY QA . . 5.440 3.260 2.214 4.528 . 0 0 "[ . 1 . 2]" 1
59 1 9 TYR QE 1 33 GLN HA . . 5.160 4.888 4.589 5.135 . 0 0 "[ . 1 . 2]" 1
60 1 9 TYR QE 1 33 GLN HB2 . . 3.860 3.450 3.003 3.851 . 0 0 "[ . 1 . 2]" 1
61 1 9 TYR QE 1 33 GLN HB3 . . 5.500 4.740 4.215 5.152 . 0 0 "[ . 1 . 2]" 1
62 1 9 TYR QE 1 33 GLN HG2 . . 4.880 4.533 3.260 4.869 . 0 0 "[ . 1 . 2]" 1
63 1 9 TYR QE 1 33 GLN QG . . 4.010 3.060 2.445 3.648 . 0 0 "[ . 1 . 2]" 1
64 1 9 TYR QE 1 33 GLN HG3 . . 4.880 3.119 2.467 3.779 . 0 0 "[ . 1 . 2]" 1
65 1 9 TYR QE 1 48 LEU MD1 . . 4.060 3.658 3.051 4.038 . 0 0 "[ . 1 . 2]" 1
66 1 9 TYR QE 1 48 LEU MD2 . . 3.920 3.479 2.793 3.920 . 0 0 "[ . 1 . 2]" 1
67 1 10 PHE H 1 10 PHE HB2 . . 3.410 2.550 2.406 2.698 . 0 0 "[ . 1 . 2]" 1
68 1 10 PHE H 1 10 PHE HB3 . . 4.160 3.687 3.621 3.770 . 0 0 "[ . 1 . 2]" 1
69 1 10 PHE H 1 10 PHE QD . . 3.860 2.982 2.588 3.306 . 0 0 "[ . 1 . 2]" 1
70 1 10 PHE H 1 11 VAL H . . 4.660 4.460 4.415 4.520 . 0 0 "[ . 1 . 2]" 1
71 1 10 PHE H 1 32 LEU H . . 3.710 3.386 2.986 3.708 . 0 0 "[ . 1 . 2]" 1
72 1 10 PHE H 1 32 LEU HB2 . . 4.430 4.167 3.860 4.357 . 0 0 "[ . 1 . 2]" 1
73 1 10 PHE H 1 33 GLN HA . . 4.430 3.136 2.841 3.474 . 0 0 "[ . 1 . 2]" 1
74 1 10 PHE H 1 34 VAL MG2 . . 4.720 3.808 3.259 4.297 . 0 0 "[ . 1 . 2]" 1
75 1 10 PHE H 1 48 LEU MD1 . . 4.510 3.999 3.616 4.413 . 0 0 "[ . 1 . 2]" 1
76 1 10 PHE H 1 71 ASP H . . 5.300 4.935 4.676 5.212 . 0 0 "[ . 1 . 2]" 1
77 1 10 PHE HA 1 10 PHE QD . . 4.000 3.048 2.930 3.101 . 0 0 "[ . 1 . 2]" 1
78 1 10 PHE HA 1 11 VAL H . . 3.080 2.337 2.260 2.460 . 0 0 "[ . 1 . 2]" 1
79 1 10 PHE HA 1 11 VAL QG . . 4.510 3.728 3.534 4.009 . 0 0 "[ . 1 . 2]" 1
80 1 10 PHE HA 1 68 VAL HB . . 4.870 4.512 4.336 4.759 . 0 0 "[ . 1 . 2]" 1
81 1 10 PHE HA 1 70 GLU HA . . 3.280 2.826 2.197 3.051 . 0 0 "[ . 1 . 2]" 1
82 1 10 PHE HA 1 70 GLU QB . . 5.250 4.897 3.972 5.119 . 0 0 "[ . 1 . 2]" 1
83 1 10 PHE HA 1 71 ASP H . . 3.290 2.419 2.075 2.638 . 0 0 "[ . 1 . 2]" 1
84 1 10 PHE HA 1 71 ASP HB2 . . 4.210 3.518 2.784 3.960 . 0 0 "[ . 1 . 2]" 1
85 1 10 PHE HA 1 71 ASP HB3 . . 4.290 4.074 3.604 4.290 . 0 0 "[ . 1 . 2]" 1
86 1 10 PHE HB2 1 11 VAL H . . 4.050 3.939 3.674 4.051 0.001 7 0 "[ . 1 . 2]" 1
87 1 10 PHE HB2 1 32 LEU H . . 4.700 4.450 4.153 4.699 . 0 0 "[ . 1 . 2]" 1
88 1 10 PHE HB2 1 32 LEU HB2 . . 4.250 3.718 3.569 3.906 . 0 0 "[ . 1 . 2]" 1
89 1 10 PHE HB2 1 32 LEU HB3 . . 5.010 4.870 4.634 5.008 . 0 0 "[ . 1 . 2]" 1
90 1 10 PHE HB2 1 34 VAL MG2 . . 3.940 2.579 2.397 3.072 . 0 0 "[ . 1 . 2]" 1
91 1 10 PHE HB2 1 63 ILE MD . . 4.690 4.311 3.978 4.577 . 0 0 "[ . 1 . 2]" 1
92 1 10 PHE HB2 1 68 VAL HB . . 3.760 3.672 3.362 3.761 0.001 12 0 "[ . 1 . 2]" 1
93 1 10 PHE HB2 1 68 VAL MG1 . . 4.270 4.072 3.789 4.232 . 0 0 "[ . 1 . 2]" 1
94 1 10 PHE HB2 1 68 VAL MG2 . . 4.170 3.176 2.849 3.451 . 0 0 "[ . 1 . 2]" 1
95 1 10 PHE HB2 1 69 ALA H . . 4.930 4.688 4.463 4.883 . 0 0 "[ . 1 . 2]" 1
96 1 10 PHE HB3 1 11 VAL H . . 3.430 2.638 2.308 2.836 . 0 0 "[ . 1 . 2]" 1
97 1 10 PHE HB3 1 34 VAL MG2 . . 4.550 3.735 3.545 4.195 . 0 0 "[ . 1 . 2]" 1
98 1 10 PHE HB3 1 43 TRP HZ3 . . 5.500 4.834 4.531 5.139 . 0 0 "[ . 1 . 2]" 1
99 1 10 PHE HB3 1 68 VAL HA . . 4.950 4.550 4.348 4.658 . 0 0 "[ . 1 . 2]" 1
100 1 10 PHE HB3 1 68 VAL HB . . 3.260 2.266 2.002 2.430 . 0 0 "[ . 1 . 2]" 1
101 1 10 PHE HB3 1 68 VAL MG1 . . 3.750 3.507 3.271 3.733 . 0 0 "[ . 1 . 2]" 1
102 1 10 PHE HB3 1 68 VAL MG2 . . 3.720 2.526 2.223 2.813 . 0 0 "[ . 1 . 2]" 1
103 1 10 PHE HB3 1 69 ALA H . . 4.030 2.938 2.728 3.140 . 0 0 "[ . 1 . 2]" 1
104 1 10 PHE HB3 1 70 GLU HA . . 4.630 4.426 3.878 4.590 . 0 0 "[ . 1 . 2]" 1
105 1 10 PHE QD 1 11 VAL H . . 4.390 3.637 3.351 3.916 . 0 0 "[ . 1 . 2]" 1
106 1 10 PHE QD 1 33 GLN HA . . 4.620 4.112 3.763 4.432 . 0 0 "[ . 1 . 2]" 1
107 1 10 PHE QD 1 34 VAL H . . 4.170 3.147 2.794 3.529 . 0 0 "[ . 1 . 2]" 1
108 1 10 PHE QD 1 34 VAL HB . . 3.930 3.345 3.070 3.667 . 0 0 "[ . 1 . 2]" 1
109 1 10 PHE QD 1 34 VAL MG2 . . 3.450 2.258 1.988 2.596 . 0 0 "[ . 1 . 2]" 1
110 1 10 PHE QD 1 43 TRP HZ3 . . 4.430 3.281 2.989 3.784 . 0 0 "[ . 1 . 2]" 1
111 1 10 PHE QD 1 68 VAL HB . . 3.730 3.220 2.764 3.574 . 0 0 "[ . 1 . 2]" 1
112 1 10 PHE QD 1 68 VAL MG1 . . 4.650 4.393 4.123 4.633 . 0 0 "[ . 1 . 2]" 1
113 1 10 PHE QD 1 68 VAL MG2 . . 3.400 2.160 1.976 2.649 . 0 0 "[ . 1 . 2]" 1
114 1 10 PHE QD 1 69 ALA H . . 4.280 2.943 2.597 3.362 . 0 0 "[ . 1 . 2]" 1
115 1 10 PHE QD 1 69 ALA HA . . 3.980 2.725 2.458 3.283 . 0 0 "[ . 1 . 2]" 1
116 1 10 PHE QD 1 70 GLU H . . 4.450 3.836 2.742 4.450 . 0 0 "[ . 1 . 2]" 1
117 1 10 PHE QD 1 70 GLU HA . . 3.870 3.499 3.027 3.685 . 0 0 "[ . 1 . 2]" 1
118 1 10 PHE QD 1 70 GLU QB . . 4.850 4.482 3.582 4.828 . 0 0 "[ . 1 . 2]" 1
119 1 10 PHE QD 1 70 GLU QG . . 4.670 4.117 3.501 4.664 . 0 0 "[ . 1 . 2]" 1
120 1 10 PHE QE 1 34 VAL H . . 4.870 4.479 4.126 4.863 . 0 0 "[ . 1 . 2]" 1
121 1 10 PHE QE 1 34 VAL HB . . 3.740 3.253 2.884 3.522 . 0 0 "[ . 1 . 2]" 1
122 1 10 PHE QE 1 34 VAL MG1 . . 4.730 3.969 3.590 4.276 . 0 0 "[ . 1 . 2]" 1
123 1 10 PHE QE 1 34 VAL MG2 . . 4.110 3.059 2.805 3.315 . 0 0 "[ . 1 . 2]" 1
124 1 10 PHE QE 1 43 TRP HE3 . . 5.500 4.481 4.284 4.897 . 0 0 "[ . 1 . 2]" 1
125 1 10 PHE QE 1 43 TRP HZ3 . . 4.120 2.502 2.101 3.035 . 0 0 "[ . 1 . 2]" 1
126 1 10 PHE QE 1 68 VAL MG2 . . 4.280 3.600 3.387 3.861 . 0 0 "[ . 1 . 2]" 1
127 1 10 PHE QE 1 69 ALA HA . . 4.740 3.318 2.816 3.952 . 0 0 "[ . 1 . 2]" 1
128 1 10 PHE QE 1 70 GLU H . . 4.650 3.731 2.720 4.527 . 0 0 "[ . 1 . 2]" 1
129 1 10 PHE QE 1 70 GLU HA . . 4.610 3.817 3.539 3.969 . 0 0 "[ . 1 . 2]" 1
130 1 10 PHE QE 1 70 GLU QB . . 4.450 3.719 2.786 4.324 . 0 0 "[ . 1 . 2]" 1
131 1 10 PHE QE 1 70 GLU QG . . 4.370 3.331 2.445 4.167 . 0 0 "[ . 1 . 2]" 1
132 1 10 PHE HZ 1 34 VAL HB . . 5.450 5.093 4.782 5.420 . 0 0 "[ . 1 . 2]" 1
133 1 10 PHE HZ 1 43 TRP HZ3 . . 5.490 3.347 3.105 3.923 . 0 0 "[ . 1 . 2]" 1
134 1 10 PHE HZ 1 70 GLU QG . . 5.500 3.492 2.316 5.358 . 0 0 "[ . 1 . 2]" 1
135 1 11 VAL H 1 11 VAL HB . . 3.760 2.996 2.530 3.137 . 0 0 "[ . 1 . 2]" 1
136 1 11 VAL H 1 11 VAL MG1 . . 4.080 2.087 1.876 3.732 . 0 0 "[ . 1 . 2]" 1
137 1 11 VAL H 1 11 VAL QG . . 3.140 2.040 1.872 2.918 . 0 0 "[ . 1 . 2]" 1
138 1 11 VAL H 1 11 VAL MG2 . . 4.080 3.832 3.046 3.956 . 0 0 "[ . 1 . 2]" 1
139 1 11 VAL H 1 68 VAL HA . . 4.780 4.518 4.327 4.670 . 0 0 "[ . 1 . 2]" 1
140 1 11 VAL H 1 68 VAL HB . . 3.980 3.252 3.006 3.417 . 0 0 "[ . 1 . 2]" 1
141 1 11 VAL H 1 68 VAL MG1 . . 4.810 4.475 4.099 4.726 . 0 0 "[ . 1 . 2]" 1
142 1 11 VAL H 1 69 ALA H . . 3.460 2.431 2.193 2.587 . 0 0 "[ . 1 . 2]" 1
143 1 11 VAL H 1 69 ALA MB . . 4.460 3.807 3.198 4.036 . 0 0 "[ . 1 . 2]" 1
144 1 11 VAL H 1 70 GLU HA . . 4.280 3.960 3.690 4.140 . 0 0 "[ . 1 . 2]" 1
145 1 11 VAL H 1 71 ASP H . . 4.310 3.325 2.987 3.868 . 0 0 "[ . 1 . 2]" 1
146 1 11 VAL H 1 71 ASP HB2 . . 4.230 2.978 2.549 3.763 . 0 0 "[ . 1 . 2]" 1
147 1 11 VAL H 1 71 ASP HB3 . . 5.030 4.358 3.806 4.998 . 0 0 "[ . 1 . 2]" 1
148 1 11 VAL HA 1 12 ALA H . . 2.710 2.188 2.155 2.239 . 0 0 "[ . 1 . 2]" 1
149 1 11 VAL HA 1 12 ALA MB . . 4.170 3.972 3.925 4.002 . 0 0 "[ . 1 . 2]" 1
150 1 11 VAL HA 1 31 LYS HA . . 3.580 3.374 2.919 3.557 . 0 0 "[ . 1 . 2]" 1
151 1 11 VAL HA 1 31 LYS HD3 . . 4.820 4.151 3.634 4.708 . 0 0 "[ . 1 . 2]" 1
152 1 11 VAL HA 1 32 LEU H . . 4.010 3.642 3.355 3.996 . 0 0 "[ . 1 . 2]" 1
153 1 11 VAL HA 1 32 LEU MD1 . . 4.840 4.614 4.411 4.794 . 0 0 "[ . 1 . 2]" 1
154 1 11 VAL HB 1 12 ALA H . . 4.360 4.130 3.971 4.312 . 0 0 "[ . 1 . 2]" 1
155 1 11 VAL HB 1 71 ASP HB2 . . 3.950 2.041 1.999 2.716 . 0 0 "[ . 1 . 2]" 1
156 1 11 VAL HB 1 71 ASP HB3 . . 4.500 3.169 2.738 4.208 . 0 0 "[ . 1 . 2]" 1
157 1 11 VAL QG 1 12 ALA H . . 3.200 2.317 2.107 2.624 . 0 0 "[ . 1 . 2]" 1
158 1 11 VAL QG 1 12 ALA HA . . 4.440 3.702 3.578 3.806 . 0 0 "[ . 1 . 2]" 1
159 1 11 VAL QG 1 12 ALA MB . . 4.730 3.460 3.335 3.635 . 0 0 "[ . 1 . 2]" 1
160 1 11 VAL QG 1 29 GLY H . . 3.920 3.250 3.063 3.519 . 0 0 "[ . 1 . 2]" 1
161 1 11 VAL QG 1 29 GLY HA2 . . 3.550 2.477 2.355 2.561 . 0 0 "[ . 1 . 2]" 1
162 1 11 VAL QG 1 29 GLY HA3 . . 3.950 3.874 3.753 3.949 . 0 0 "[ . 1 . 2]" 1
163 1 11 VAL QG 1 31 LYS HA . . 4.140 3.977 3.467 4.137 . 0 0 "[ . 1 . 2]" 1
164 1 11 VAL QG 1 31 LYS HD3 . . 4.260 3.687 2.844 4.162 . 0 0 "[ . 1 . 2]" 1
165 1 11 VAL QG 1 31 LYS QE . . 4.460 4.007 3.316 4.443 . 0 0 "[ . 1 . 2]" 1
166 1 11 VAL QG 1 68 VAL HA . . 4.600 3.894 3.668 4.301 . 0 0 "[ . 1 . 2]" 1
167 1 11 VAL QG 1 69 ALA H . . 3.810 2.784 2.441 3.746 . 0 0 "[ . 1 . 2]" 1
168 1 11 VAL QG 1 69 ALA MB . . 3.350 2.688 2.438 3.350 . 0 0 "[ . 1 . 2]" 1
169 1 11 VAL QG 1 70 GLU H . . 5.440 4.458 4.100 5.383 . 0 0 "[ . 1 . 2]" 1
170 1 11 VAL QG 1 71 ASP H . . 4.580 3.457 3.100 4.042 . 0 0 "[ . 1 . 2]" 1
171 1 11 VAL QG 1 71 ASP HB2 . . 3.610 2.147 1.919 3.046 . 0 0 "[ . 1 . 2]" 1
172 1 11 VAL QG 1 71 ASP HB3 . . 4.480 3.416 2.336 4.119 . 0 0 "[ . 1 . 2]" 1
173 1 11 VAL MG1 1 12 ALA H . . 4.070 3.769 2.465 3.934 . 0 0 "[ . 1 . 2]" 1
174 1 11 VAL MG1 1 29 GLY H . . 5.440 5.098 3.318 5.383 . 0 0 "[ . 1 . 2]" 1
175 1 11 VAL MG1 1 29 GLY HA2 . . 4.950 4.666 2.499 4.949 . 0 0 "[ . 1 . 2]" 1
176 1 11 VAL MG1 1 71 ASP H . . 5.500 3.600 3.117 5.499 . 0 0 "[ . 1 . 2]" 1
177 1 11 VAL MG1 1 71 ASP HB2 . . 4.190 2.275 1.945 3.930 . 0 0 "[ . 1 . 2]" 1
178 1 11 VAL MG2 1 12 ALA H . . 4.070 2.402 2.116 3.742 . 0 0 "[ . 1 . 2]" 1
179 1 11 VAL MG2 1 29 GLY H . . 5.440 3.389 3.091 5.389 . 0 0 "[ . 1 . 2]" 1
180 1 11 VAL MG2 1 29 GLY HA2 . . 4.950 2.567 2.361 4.121 . 0 0 "[ . 1 . 2]" 1
181 1 11 VAL MG2 1 71 ASP H . . 5.500 5.397 3.470 5.501 0.001 15 0 "[ . 1 . 2]" 1
182 1 11 VAL MG2 1 71 ASP HB2 . . 4.190 3.529 1.923 3.656 . 0 0 "[ . 1 . 2]" 1
183 1 12 ALA H 1 12 ALA MB . . 2.940 2.174 2.087 2.303 . 0 0 "[ . 1 . 2]" 1
184 1 12 ALA H 1 13 LEU H . . 4.710 4.377 4.199 4.511 . 0 0 "[ . 1 . 2]" 1
185 1 12 ALA H 1 28 ALA HA . . 5.120 4.840 4.667 5.084 . 0 0 "[ . 1 . 2]" 1
186 1 12 ALA H 1 29 GLY H . . 4.180 3.236 3.083 3.469 . 0 0 "[ . 1 . 2]" 1
187 1 12 ALA H 1 29 GLY HA2 . . 4.800 3.814 3.501 4.133 . 0 0 "[ . 1 . 2]" 1
188 1 12 ALA H 1 30 ASP QB . . 4.820 4.063 3.771 4.428 . 0 0 "[ . 1 . 2]" 1
189 1 12 ALA H 1 31 LYS HA . . 5.010 4.411 3.887 4.684 . 0 0 "[ . 1 . 2]" 1
190 1 12 ALA H 1 32 LEU H . . 5.500 4.719 4.369 5.193 . 0 0 "[ . 1 . 2]" 1
191 1 12 ALA H 1 32 LEU MD1 . . 4.270 3.933 3.564 4.162 . 0 0 "[ . 1 . 2]" 1
192 1 12 ALA H 1 68 VAL MG1 . . 4.460 3.606 3.132 4.175 . 0 0 "[ . 1 . 2]" 1
193 1 12 ALA HA 1 13 LEU H . . 2.880 2.158 2.142 2.222 . 0 0 "[ . 1 . 2]" 1
194 1 12 ALA HA 1 13 LEU MD1 . . 5.420 4.691 4.549 4.899 . 0 0 "[ . 1 . 2]" 1
195 1 12 ALA HA 1 13 LEU MD2 . . 5.500 5.030 4.716 5.216 . 0 0 "[ . 1 . 2]" 1
196 1 12 ALA HA 1 13 LEU HG . . 4.270 3.866 3.578 4.123 . 0 0 "[ . 1 . 2]" 1
197 1 12 ALA HA 1 14 PHE H . . 3.800 3.644 3.463 3.741 . 0 0 "[ . 1 . 2]" 1
198 1 12 ALA HA 1 26 PHE QE . . 4.790 3.702 3.275 4.143 . 0 0 "[ . 1 . 2]" 1
199 1 12 ALA HA 1 32 LEU MD1 . . 4.620 4.187 3.790 4.523 . 0 0 "[ . 1 . 2]" 1
200 1 12 ALA HA 1 68 VAL HA . . 3.280 2.212 2.003 2.389 . 0 0 "[ . 1 . 2]" 1
201 1 12 ALA HA 1 68 VAL HB . . 4.470 3.263 3.095 3.502 . 0 0 "[ . 1 . 2]" 1
202 1 12 ALA HA 1 68 VAL MG1 . . 3.020 2.057 1.888 2.567 . 0 0 "[ . 1 . 2]" 1
203 1 12 ALA HA 1 68 VAL MG2 . . 4.690 4.323 4.148 4.608 . 0 0 "[ . 1 . 2]" 1
204 1 12 ALA HA 1 69 ALA H . . 4.110 3.984 3.782 4.084 . 0 0 "[ . 1 . 2]" 1
205 1 12 ALA MB 1 13 LEU H . . 3.700 3.345 3.150 3.535 . 0 0 "[ . 1 . 2]" 1
206 1 12 ALA MB 1 14 PHE H . . 3.500 3.236 2.973 3.438 . 0 0 "[ . 1 . 2]" 1
207 1 12 ALA MB 1 16 TYR H . . 5.500 4.885 4.619 5.293 . 0 0 "[ . 1 . 2]" 1
208 1 12 ALA MB 1 26 PHE HB2 . . 4.500 3.271 3.066 3.416 . 0 0 "[ . 1 . 2]" 1
209 1 12 ALA MB 1 26 PHE HB3 . . 4.500 4.391 4.206 4.500 . 0 0 "[ . 1 . 2]" 1
210 1 12 ALA MB 1 26 PHE QD . . 3.000 2.095 1.815 2.334 . 0 0 "[ . 1 . 2]" 1
211 1 12 ALA MB 1 26 PHE QE . . 3.340 2.495 2.027 2.970 . 0 0 "[ . 1 . 2]" 1
212 1 12 ALA MB 1 27 ARG H . . 4.280 3.881 3.743 3.988 . 0 0 "[ . 1 . 2]" 1
213 1 12 ALA MB 1 28 ALA H . . 4.650 4.194 4.046 4.371 . 0 0 "[ . 1 . 2]" 1
214 1 12 ALA MB 1 28 ALA HA . . 3.220 2.541 2.398 2.664 . 0 0 "[ . 1 . 2]" 1
215 1 12 ALA MB 1 28 ALA MB . . 3.940 3.868 3.736 3.939 . 0 0 "[ . 1 . 2]" 1
216 1 12 ALA MB 1 29 GLY H . . 3.280 2.262 1.950 2.522 . 0 0 "[ . 1 . 2]" 1
217 1 12 ALA MB 1 29 GLY HA2 . . 4.710 3.953 3.719 4.186 . 0 0 "[ . 1 . 2]" 1
218 1 12 ALA MB 1 30 ASP H . . 3.220 2.285 1.903 3.188 . 0 0 "[ . 1 . 2]" 1
219 1 12 ALA MB 1 30 ASP HB2 . . 4.280 2.974 2.428 4.268 . 0 0 "[ . 1 . 2]" 1
220 1 12 ALA MB 1 30 ASP QB . . 3.570 2.704 2.403 3.090 . 0 0 "[ . 1 . 2]" 1
221 1 12 ALA MB 1 30 ASP HB3 . . 4.280 3.691 2.769 4.221 . 0 0 "[ . 1 . 2]" 1
222 1 12 ALA MB 1 32 LEU MD1 . . 3.510 2.673 2.359 2.918 . 0 0 "[ . 1 . 2]" 1
223 1 12 ALA MB 1 32 LEU MD2 . . 5.080 4.707 4.318 5.029 . 0 0 "[ . 1 . 2]" 1
224 1 12 ALA MB 1 68 VAL HA . . 4.490 3.868 3.696 4.011 . 0 0 "[ . 1 . 2]" 1
225 1 12 ALA MB 1 68 VAL MG1 . . 3.530 2.451 2.212 3.016 . 0 0 "[ . 1 . 2]" 1
226 1 13 LEU H 1 13 LEU HB2 . . 3.970 2.555 2.452 2.709 . 0 0 "[ . 1 . 2]" 1
227 1 13 LEU H 1 13 LEU QB . . 3.140 2.503 2.412 2.634 . 0 0 "[ . 1 . 2]" 1
228 1 13 LEU H 1 13 LEU HB3 . . 3.970 3.597 3.575 3.635 . 0 0 "[ . 1 . 2]" 1
229 1 13 LEU H 1 13 LEU MD1 . . 3.760 3.220 3.149 3.326 . 0 0 "[ . 1 . 2]" 1
230 1 13 LEU H 1 13 LEU MD2 . . 4.170 3.627 3.389 3.797 . 0 0 "[ . 1 . 2]" 1
231 1 13 LEU H 1 13 LEU HG . . 3.330 2.193 1.905 2.426 . 0 0 "[ . 1 . 2]" 1
232 1 13 LEU H 1 14 PHE H . . 3.020 2.523 2.291 2.719 . 0 0 "[ . 1 . 2]" 1
233 1 13 LEU H 1 67 TYR HB3 . . 4.840 4.446 4.143 4.719 . 0 0 "[ . 1 . 2]" 1
234 1 13 LEU H 1 68 VAL HA . . 3.370 2.227 1.972 2.531 . 0 0 "[ . 1 . 2]" 1
235 1 13 LEU H 1 68 VAL HB . . 4.930 4.397 4.175 4.780 . 0 0 "[ . 1 . 2]" 1
236 1 13 LEU H 1 68 VAL MG1 . . 4.060 3.480 3.219 3.744 . 0 0 "[ . 1 . 2]" 1
237 1 13 LEU H 1 69 ALA H . . 4.600 4.203 3.774 4.600 0.000 19 0 "[ . 1 . 2]" 1
238 1 13 LEU HA 1 13 LEU MD1 . . 4.270 3.950 3.911 4.003 . 0 0 "[ . 1 . 2]" 1
239 1 13 LEU HA 1 13 LEU MD2 . . 2.770 2.462 2.294 2.640 . 0 0 "[ . 1 . 2]" 1
240 1 13 LEU HA 1 13 LEU HG . . 3.780 2.931 2.831 3.070 . 0 0 "[ . 1 . 2]" 1
241 1 13 LEU HA 1 28 ALA HA . . 4.750 4.406 4.154 4.648 . 0 0 "[ . 1 . 2]" 1
242 1 13 LEU HA 1 28 ALA MB . . 4.470 4.116 3.791 4.409 . 0 0 "[ . 1 . 2]" 1
243 1 13 LEU HA 1 29 GLY H . . 4.550 4.392 4.218 4.512 . 0 0 "[ . 1 . 2]" 1
244 1 13 LEU QB 1 13 LEU MD1 . . 2.860 2.005 1.936 2.084 . 0 0 "[ . 1 . 2]" 1
245 1 13 LEU QB 1 14 PHE H . . 3.390 2.729 2.593 2.953 . 0 0 "[ . 1 . 2]" 1
246 1 13 LEU QB 1 14 PHE QD . . 3.750 2.575 2.137 3.049 . 0 0 "[ . 1 . 2]" 1
247 1 13 LEU QB 1 14 PHE HZ . . 4.730 3.528 3.177 3.844 . 0 0 "[ . 1 . 2]" 1
248 1 13 LEU QB 1 68 VAL HA . . 4.880 3.951 3.620 4.339 . 0 0 "[ . 1 . 2]" 1
249 1 13 LEU HB2 1 13 LEU MD1 . . 3.400 2.089 1.987 2.238 . 0 0 "[ . 1 . 2]" 1
250 1 13 LEU HB2 1 14 PHE H . . 4.170 2.789 2.641 3.033 . 0 0 "[ . 1 . 2]" 1
251 1 13 LEU HB2 1 14 PHE QD . . 4.450 2.628 2.160 3.147 . 0 0 "[ . 1 . 2]" 1
252 1 13 LEU HB2 1 14 PHE QE . . 4.490 2.794 2.400 3.384 . 0 0 "[ . 1 . 2]" 1
253 1 13 LEU HB2 1 14 PHE HZ . . 5.440 4.232 3.743 4.917 . 0 0 "[ . 1 . 2]" 1
254 1 13 LEU HB3 1 13 LEU MD1 . . 3.400 2.597 2.485 2.675 . 0 0 "[ . 1 . 2]" 1
255 1 13 LEU HB3 1 14 PHE H . . 4.170 3.875 3.672 4.059 . 0 0 "[ . 1 . 2]" 1
256 1 13 LEU HB3 1 14 PHE QD . . 4.450 3.754 3.178 4.090 . 0 0 "[ . 1 . 2]" 1
257 1 13 LEU HB3 1 14 PHE QE . . 4.490 3.301 2.774 3.754 . 0 0 "[ . 1 . 2]" 1
258 1 13 LEU HB3 1 14 PHE HZ . . 5.440 3.786 3.434 4.023 . 0 0 "[ . 1 . 2]" 1
259 1 13 LEU MD1 1 14 PHE H . . 4.550 4.316 4.076 4.468 . 0 0 "[ . 1 . 2]" 1
260 1 13 LEU MD1 1 14 PHE QD . . 4.450 3.581 3.111 3.986 . 0 0 "[ . 1 . 2]" 1
261 1 13 LEU MD1 1 14 PHE QE . . 3.760 2.533 2.046 3.287 . 0 0 "[ . 1 . 2]" 1
262 1 13 LEU MD1 1 14 PHE HZ . . 4.670 3.889 3.511 4.355 . 0 0 "[ . 1 . 2]" 1
263 1 13 LEU MD1 1 68 VAL HA . . 3.830 3.218 2.979 3.423 . 0 0 "[ . 1 . 2]" 1
264 1 13 LEU MD1 1 68 VAL HB . . 5.090 4.940 4.796 5.091 0.001 19 0 "[ . 1 . 2]" 1
265 1 13 LEU MD1 1 69 ALA H . . 4.460 3.902 3.627 4.134 . 0 0 "[ . 1 . 2]" 1
266 1 13 LEU MD1 1 69 ALA HA . . 4.360 3.873 3.454 4.146 . 0 0 "[ . 1 . 2]" 1
267 1 13 LEU MD1 1 69 ALA MB . . 2.820 2.167 1.914 2.389 . 0 0 "[ . 1 . 2]" 1
268 1 13 LEU MD2 1 14 PHE HZ . . 5.210 4.659 4.427 4.959 . 0 0 "[ . 1 . 2]" 1
269 1 13 LEU MD2 1 69 ALA H . . 4.830 4.358 3.845 4.604 . 0 0 "[ . 1 . 2]" 1
270 1 13 LEU MD2 1 69 ALA MB . . 3.020 2.398 2.124 2.799 . 0 0 "[ . 1 . 2]" 1
271 1 13 LEU HG 1 14 PHE H . . 4.430 4.295 4.017 4.429 . 0 0 "[ . 1 . 2]" 1
272 1 13 LEU HG 1 68 VAL HA . . 3.540 2.862 2.568 3.229 . 0 0 "[ . 1 . 2]" 1
273 1 13 LEU HG 1 69 ALA H . . 3.990 3.620 3.371 3.840 . 0 0 "[ . 1 . 2]" 1
274 1 14 PHE H 1 14 PHE HB2 . . 3.750 2.942 2.819 3.126 . 0 0 "[ . 1 . 2]" 1
275 1 14 PHE H 1 14 PHE HB3 . . 4.030 3.898 3.856 3.970 . 0 0 "[ . 1 . 2]" 1
276 1 14 PHE H 1 15 ASP H . . 4.590 4.421 4.351 4.448 . 0 0 "[ . 1 . 2]" 1
277 1 14 PHE H 1 26 PHE QE . . 4.120 3.815 3.552 4.096 . 0 0 "[ . 1 . 2]" 1
278 1 14 PHE H 1 28 ALA HA . . 3.990 3.770 3.410 3.971 . 0 0 "[ . 1 . 2]" 1
279 1 14 PHE H 1 28 ALA MB . . 4.200 3.951 3.774 4.162 . 0 0 "[ . 1 . 2]" 1
280 1 14 PHE H 1 29 GLY H . . 5.150 4.929 4.589 5.089 . 0 0 "[ . 1 . 2]" 1
281 1 14 PHE H 1 67 TYR HB3 . . 4.390 3.841 3.591 4.229 . 0 0 "[ . 1 . 2]" 1
282 1 14 PHE H 1 68 VAL HA . . 4.640 4.355 4.078 4.585 . 0 0 "[ . 1 . 2]" 1
283 1 14 PHE HA 1 14 PHE QD . . 3.590 2.971 2.606 3.146 . 0 0 "[ . 1 . 2]" 1
284 1 14 PHE HA 1 15 ASP H . . 3.020 2.428 2.228 2.559 . 0 0 "[ . 1 . 2]" 1
285 1 14 PHE HA 1 28 ALA HA . . 4.510 3.533 3.297 3.868 . 0 0 "[ . 1 . 2]" 1
286 1 14 PHE HA 1 28 ALA MB . . 3.130 2.244 2.004 2.685 . 0 0 "[ . 1 . 2]" 1
287 1 14 PHE HB2 1 15 ASP H . . 4.060 3.315 2.988 3.708 . 0 0 "[ . 1 . 2]" 1
288 1 14 PHE HB2 1 67 TYR QD . . 3.740 3.269 2.938 3.525 . 0 0 "[ . 1 . 2]" 1
289 1 14 PHE HB2 1 67 TYR QE . . 4.110 4.009 3.485 4.095 . 0 0 "[ . 1 . 2]" 1
290 1 14 PHE HB3 1 15 ASP H . . 3.500 2.510 2.190 3.002 . 0 0 "[ . 1 . 2]" 1
291 1 14 PHE HB3 1 67 TYR QE . . 5.290 4.986 4.409 5.288 . 0 0 "[ . 1 . 2]" 1
292 1 14 PHE QD 1 15 ASP H . . 4.640 4.182 3.921 4.481 . 0 0 "[ . 1 . 2]" 1
293 1 14 PHE QD 1 28 ALA MB . . 4.980 4.337 3.969 4.715 . 0 0 "[ . 1 . 2]" 1
294 1 14 PHE QD 1 67 TYR HA . . 3.320 2.657 2.239 3.055 . 0 0 "[ . 1 . 2]" 1
295 1 14 PHE QD 1 67 TYR HB3 . . 4.620 4.089 3.834 4.419 . 0 0 "[ . 1 . 2]" 1
296 1 15 ASP H 1 15 ASP HB2 . . 3.670 3.313 2.514 3.616 . 0 0 "[ . 1 . 2]" 1
297 1 15 ASP H 1 15 ASP QB . . 3.070 2.646 2.151 2.869 . 0 0 "[ . 1 . 2]" 1
298 1 15 ASP H 1 15 ASP HB3 . . 3.670 2.991 2.196 3.641 . 0 0 "[ . 1 . 2]" 1
299 1 15 ASP H 1 28 ALA H . . 4.140 3.804 3.321 4.105 . 0 0 "[ . 1 . 2]" 1
300 1 15 ASP H 1 28 ALA MB . . 3.850 2.976 1.925 3.361 . 0 0 "[ . 1 . 2]" 1
301 1 15 ASP HA 1 16 TYR H . . 3.170 2.258 2.184 2.383 . 0 0 "[ . 1 . 2]" 1
302 1 15 ASP HA 1 27 ARG HA . . 3.860 2.162 2.025 2.380 . 0 0 "[ . 1 . 2]" 1
303 1 15 ASP HA 1 28 ALA H . . 3.620 2.814 2.579 3.081 . 0 0 "[ . 1 . 2]" 1
304 1 15 ASP QB 1 16 TYR H . . 3.290 2.823 2.558 3.269 . 0 0 "[ . 1 . 2]" 1
305 1 15 ASP QB 1 27 ARG HA . . 4.310 2.580 2.320 3.015 . 0 0 "[ . 1 . 2]" 1
306 1 15 ASP QB 1 27 ARG QD . . 4.560 3.164 1.927 4.043 . 0 0 "[ . 1 . 2]" 1
307 1 15 ASP QB 1 28 ALA H . . 4.370 2.639 2.074 3.527 . 0 0 "[ . 1 . 2]" 1
308 1 15 ASP HB2 1 16 TYR H . . 3.960 3.135 2.598 3.929 . 0 0 "[ . 1 . 2]" 1
309 1 15 ASP HB3 1 16 TYR H . . 3.960 3.643 2.856 3.959 . 0 0 "[ . 1 . 2]" 1
310 1 16 TYR H 1 16 TYR HB2 . . 3.920 3.431 3.303 3.606 . 0 0 "[ . 1 . 2]" 1
311 1 16 TYR H 1 16 TYR HB3 . . 3.570 2.757 2.579 2.983 . 0 0 "[ . 1 . 2]" 1
312 1 16 TYR H 1 16 TYR QD . . 4.800 4.196 3.947 4.396 . 0 0 "[ . 1 . 2]" 1
313 1 16 TYR H 1 17 GLN H . . 4.570 4.315 4.048 4.460 . 0 0 "[ . 1 . 2]" 1
314 1 16 TYR H 1 26 PHE H . . 3.610 3.401 3.162 3.573 . 0 0 "[ . 1 . 2]" 1
315 1 16 TYR H 1 26 PHE QD . . 3.930 3.798 3.423 3.927 . 0 0 "[ . 1 . 2]" 1
316 1 16 TYR H 1 26 PHE QE . . 5.010 4.164 3.838 4.430 . 0 0 "[ . 1 . 2]" 1
317 1 16 TYR H 1 27 ARG HA . . 3.640 2.997 2.618 3.295 . 0 0 "[ . 1 . 2]" 1
318 1 16 TYR H 1 27 ARG QG . . 5.340 4.240 3.737 5.186 . 0 0 "[ . 1 . 2]" 1
319 1 16 TYR H 1 28 ALA H . . 5.210 4.782 4.500 5.030 . 0 0 "[ . 1 . 2]" 1
320 1 16 TYR HA 1 16 TYR QD . . 3.420 2.934 2.656 3.206 . 0 0 "[ . 1 . 2]" 1
321 1 16 TYR HA 1 17 GLN H . . 2.810 2.231 2.141 2.350 . 0 0 "[ . 1 . 2]" 1
322 1 16 TYR HA 1 67 TYR QD . . 4.610 3.996 3.648 4.242 . 0 0 "[ . 1 . 2]" 1
323 1 16 TYR HA 1 67 TYR QE . . 3.860 3.150 2.725 3.425 . 0 0 "[ . 1 . 2]" 1
324 1 16 TYR HB2 1 17 GLN H . . 4.570 3.925 3.763 4.196 . 0 0 "[ . 1 . 2]" 1
325 1 16 TYR HB2 1 26 PHE H . . 5.500 5.125 4.810 5.417 . 0 0 "[ . 1 . 2]" 1
326 1 16 TYR HB2 1 26 PHE QE . . 4.090 3.446 2.802 3.736 . 0 0 "[ . 1 . 2]" 1
327 1 16 TYR HB2 1 26 PHE HZ . . 4.310 3.198 2.793 3.555 . 0 0 "[ . 1 . 2]" 1
328 1 16 TYR HB2 1 67 TYR QD . . 3.730 2.122 2.002 2.596 . 0 0 "[ . 1 . 2]" 1
329 1 16 TYR HB2 1 67 TYR QE . . 3.780 2.580 2.274 2.834 . 0 0 "[ . 1 . 2]" 1
330 1 16 TYR HB3 1 17 GLN H . . 4.680 4.083 3.766 4.349 . 0 0 "[ . 1 . 2]" 1
331 1 16 TYR HB3 1 25 SER HA . . 4.570 4.335 3.959 4.569 . 0 0 "[ . 1 . 2]" 1
332 1 16 TYR HB3 1 26 PHE H . . 3.910 3.488 3.102 3.837 . 0 0 "[ . 1 . 2]" 1
333 1 16 TYR HB3 1 26 PHE QE . . 4.190 2.893 2.758 3.038 . 0 0 "[ . 1 . 2]" 1
334 1 16 TYR HB3 1 26 PHE HZ . . 4.260 2.917 2.672 3.122 . 0 0 "[ . 1 . 2]" 1
335 1 16 TYR HB3 1 67 TYR QD . . 4.370 3.359 3.035 3.670 . 0 0 "[ . 1 . 2]" 1
336 1 16 TYR HB3 1 67 TYR QE . . 4.460 4.279 4.005 4.459 . 0 0 "[ . 1 . 2]" 1
337 1 16 TYR QD 1 17 GLN H . . 4.030 3.161 2.722 3.682 . 0 0 "[ . 1 . 2]" 1
338 1 16 TYR QD 1 18 ALA H . . 5.010 3.744 3.207 4.360 . 0 0 "[ . 1 . 2]" 1
339 1 16 TYR QD 1 18 ALA HA . . 4.730 4.091 3.846 4.451 . 0 0 "[ . 1 . 2]" 1
340 1 16 TYR QD 1 25 SER HA . . 3.590 2.568 2.023 3.041 . 0 0 "[ . 1 . 2]" 1
341 1 16 TYR QD 1 26 PHE H . . 3.990 3.137 2.687 3.593 . 0 0 "[ . 1 . 2]" 1
342 1 16 TYR QD 1 26 PHE HZ . . 4.110 3.781 3.257 4.001 . 0 0 "[ . 1 . 2]" 1
343 1 16 TYR QD 1 64 PRO QD . . 4.100 3.553 3.156 3.833 . 0 0 "[ . 1 . 2]" 1
344 1 16 TYR QD 1 64 PRO QG . . 4.250 3.198 2.604 3.816 . 0 0 "[ . 1 . 2]" 1
345 1 16 TYR QE 1 18 ALA H . . 5.080 3.580 2.856 4.258 . 0 0 "[ . 1 . 2]" 1
346 1 16 TYR QE 1 18 ALA HA . . 3.460 2.347 1.998 2.809 . 0 0 "[ . 1 . 2]" 1
347 1 16 TYR QE 1 18 ALA MB . . 4.010 2.917 2.279 3.423 . 0 0 "[ . 1 . 2]" 1
348 1 16 TYR QE 1 19 ARG H . . 4.540 3.892 3.292 4.507 . 0 0 "[ . 1 . 2]" 1
349 1 16 TYR QE 1 19 ARG QG . . 5.340 3.976 2.480 5.067 . 0 0 "[ . 1 . 2]" 1
350 1 16 TYR QE 1 23 ASP QB . . 3.320 2.896 2.545 3.308 . 0 0 "[ . 1 . 2]" 1
351 1 16 TYR QE 1 24 LEU H . . 4.450 3.809 3.246 4.436 . 0 0 "[ . 1 . 2]" 1
352 1 16 TYR QE 1 24 LEU HB3 . . 5.500 5.110 4.730 5.450 . 0 0 "[ . 1 . 2]" 1
353 1 16 TYR QE 1 26 PHE QE . . 4.700 3.899 3.401 4.428 . 0 0 "[ . 1 . 2]" 1
354 1 16 TYR QE 1 63 ILE HA . . 4.900 4.065 3.538 4.515 . 0 0 "[ . 1 . 2]" 1
355 1 16 TYR QE 1 63 ILE MG . . 4.960 3.837 3.448 4.238 . 0 0 "[ . 1 . 2]" 1
356 1 16 TYR QE 1 64 PRO QD . . 4.150 3.309 2.811 3.679 . 0 0 "[ . 1 . 2]" 1
357 1 16 TYR QE 1 64 PRO QG . . 3.920 3.314 2.750 3.870 . 0 0 "[ . 1 . 2]" 1
358 1 17 GLN H 1 17 GLN QB . . 3.030 2.513 2.320 3.017 . 0 0 "[ . 1 . 2]" 1
359 1 17 GLN H 1 17 GLN QG . . 4.110 3.623 1.961 4.110 . 0 0 "[ . 1 . 2]" 1
360 1 17 GLN H 1 18 ALA H . . 4.730 4.220 3.901 4.513 . 0 0 "[ . 1 . 2]" 1
361 1 17 GLN HA 1 17 GLN QG . . 3.700 2.466 2.199 3.339 . 0 0 "[ . 1 . 2]" 1
362 1 17 GLN HA 1 18 ALA H . . 2.720 2.158 2.139 2.260 . 0 0 "[ . 1 . 2]" 1
363 1 17 GLN HA 1 18 ALA MB . . 3.950 3.933 3.882 3.954 0.004 16 0 "[ . 1 . 2]" 1
364 1 17 GLN HA 1 25 SER HA . . 4.070 3.417 2.917 3.920 . 0 0 "[ . 1 . 2]" 1
365 1 17 GLN HA 1 25 SER HB2 . . 3.960 2.989 2.131 3.914 . 0 0 "[ . 1 . 2]" 1
366 1 17 GLN HA 1 25 SER HB3 . . 3.960 3.395 2.158 3.958 . 0 0 "[ . 1 . 2]" 1
367 1 17 GLN HA 1 26 PHE H . . 4.390 3.793 3.189 4.228 . 0 0 "[ . 1 . 2]" 1
368 1 17 GLN QB 1 18 ALA H . . 3.870 3.629 2.820 3.872 0.002 11 0 "[ . 1 . 2]" 1
369 1 17 GLN QG 1 18 ALA H . . 4.230 3.563 2.666 4.230 . 0 0 "[ . 1 . 2]" 1
370 1 18 ALA H 1 18 ALA MB . . 3.020 2.096 2.027 2.282 . 0 0 "[ . 1 . 2]" 1
371 1 18 ALA H 1 25 SER HA . . 3.610 2.741 2.114 3.373 . 0 0 "[ . 1 . 2]" 1
372 1 18 ALA H 1 25 SER HB2 . . 4.120 2.843 1.910 4.115 . 0 0 "[ . 1 . 2]" 1
373 1 18 ALA H 1 25 SER QB . . 3.450 2.167 1.864 2.685 . 0 0 "[ . 1 . 2]" 1
374 1 18 ALA H 1 25 SER HB3 . . 4.120 2.490 1.987 3.652 . 0 0 "[ . 1 . 2]" 1
375 1 18 ALA H 1 26 PHE H . . 4.700 4.323 3.656 4.694 . 0 0 "[ . 1 . 2]" 1
376 1 18 ALA HA 1 19 ARG H . . 3.100 2.166 2.141 2.232 . 0 0 "[ . 1 . 2]" 1
377 1 18 ALA HA 1 19 ARG QG . . 4.220 3.844 3.348 4.202 . 0 0 "[ . 1 . 2]" 1
378 1 18 ALA HA 1 20 THR H . . 4.400 3.923 3.351 4.184 . 0 0 "[ . 1 . 2]" 1
379 1 18 ALA HA 1 23 ASP QB . . 3.520 2.762 2.422 3.213 . 0 0 "[ . 1 . 2]" 1
380 1 18 ALA MB 1 19 ARG H . . 3.840 3.214 2.827 3.508 . 0 0 "[ . 1 . 2]" 1
381 1 18 ALA MB 1 19 ARG HA . . 4.930 4.379 4.136 4.668 . 0 0 "[ . 1 . 2]" 1
382 1 18 ALA MB 1 20 THR H . . 3.860 3.493 3.014 3.850 . 0 0 "[ . 1 . 2]" 1
383 1 18 ALA MB 1 23 ASP H . . 4.330 3.781 3.520 4.061 . 0 0 "[ . 1 . 2]" 1
384 1 18 ALA MB 1 23 ASP HA . . 4.750 3.983 3.696 4.574 . 0 0 "[ . 1 . 2]" 1
385 1 18 ALA MB 1 23 ASP QB . . 3.170 2.133 1.932 2.792 . 0 0 "[ . 1 . 2]" 1
386 1 18 ALA MB 1 24 LEU H . . 4.590 3.341 2.633 4.263 . 0 0 "[ . 1 . 2]" 1
387 1 18 ALA MB 1 25 SER H . . 3.950 3.164 2.756 3.696 . 0 0 "[ . 1 . 2]" 1
388 1 18 ALA MB 1 25 SER HA . . 4.200 3.048 2.602 3.756 . 0 0 "[ . 1 . 2]" 1
389 1 18 ALA MB 1 25 SER QB . . 3.440 2.351 2.021 3.390 . 0 0 "[ . 1 . 2]" 1
390 1 19 ARG H 1 19 ARG HB2 . . 4.150 2.556 2.271 3.599 . 0 0 "[ . 1 . 2]" 1
391 1 19 ARG H 1 19 ARG QB . . 3.620 2.431 2.246 2.731 . 0 0 "[ . 1 . 2]" 1
392 1 19 ARG H 1 19 ARG HB3 . . 4.150 3.518 2.697 3.690 . 0 0 "[ . 1 . 2]" 1
393 1 19 ARG H 1 19 ARG HG2 . . 4.080 2.822 1.933 3.806 . 0 0 "[ . 1 . 2]" 1
394 1 19 ARG H 1 19 ARG QG . . 3.490 2.394 1.890 2.894 . 0 0 "[ . 1 . 2]" 1
395 1 19 ARG H 1 19 ARG HG3 . . 4.080 3.079 2.136 3.879 . 0 0 "[ . 1 . 2]" 1
396 1 19 ARG H 1 20 THR H . . 3.220 2.504 2.158 2.977 . 0 0 "[ . 1 . 2]" 1
397 1 19 ARG H 1 20 THR MG . . 4.840 4.500 4.098 4.802 . 0 0 "[ . 1 . 2]" 1
398 1 19 ARG H 1 23 ASP QB . . 3.940 3.220 2.398 3.779 . 0 0 "[ . 1 . 2]" 1
399 1 19 ARG HA 1 19 ARG QD . . 4.570 3.298 2.044 4.507 . 0 0 "[ . 1 . 2]" 1
400 1 19 ARG HA 1 19 ARG HG2 . . 3.880 2.756 2.336 3.733 . 0 0 "[ . 1 . 2]" 1
401 1 19 ARG HA 1 19 ARG HG3 . . 3.880 3.537 3.008 3.880 . 0 0 "[ . 1 . 2]" 1
402 1 19 ARG HA 1 20 THR MG . . 4.750 4.382 3.905 4.680 . 0 0 "[ . 1 . 2]" 1
403 1 19 ARG QB 1 20 THR H . . 3.710 2.649 2.381 3.315 . 0 0 "[ . 1 . 2]" 1
404 1 19 ARG HB2 1 20 THR H . . 4.440 2.728 2.419 3.536 . 0 0 "[ . 1 . 2]" 1
405 1 19 ARG HB2 1 20 THR MG . . 3.860 3.075 2.499 3.578 . 0 0 "[ . 1 . 2]" 1
406 1 19 ARG HB3 1 20 THR H . . 4.440 3.645 3.164 4.037 . 0 0 "[ . 1 . 2]" 1
407 1 19 ARG HB3 1 20 THR MG . . 3.860 3.295 2.876 3.853 . 0 0 "[ . 1 . 2]" 1
408 1 20 THR H 1 20 THR MG . . 3.730 2.810 2.486 3.108 . 0 0 "[ . 1 . 2]" 1
409 1 20 THR H 1 23 ASP QB . . 3.920 2.759 2.086 3.533 . 0 0 "[ . 1 . 2]" 1
410 1 20 THR HA 1 20 THR MG . . 3.220 2.348 2.178 2.633 . 0 0 "[ . 1 . 2]" 1
411 1 20 THR HB 1 21 ALA H . . 4.530 2.399 1.978 3.158 . 0 0 "[ . 1 . 2]" 1
412 1 20 THR HB 1 21 ALA MB . . 4.320 3.853 3.549 4.212 . 0 0 "[ . 1 . 2]" 1
413 1 20 THR HB 1 22 GLU H . . 3.810 2.932 2.566 3.537 . 0 0 "[ . 1 . 2]" 1
414 1 20 THR MG 1 22 GLU H . . 4.590 4.376 4.111 4.563 . 0 0 "[ . 1 . 2]" 1
415 1 21 ALA H 1 22 GLU H . . 4.890 2.751 2.516 3.025 . 0 0 "[ . 1 . 2]" 1
416 1 21 ALA HA 1 23 ASP H . . 4.650 4.222 3.724 4.561 . 0 0 "[ . 1 . 2]" 1
417 1 21 ALA MB 1 22 GLU H . . 3.770 2.735 2.414 3.659 . 0 0 "[ . 1 . 2]" 1
418 1 21 ALA MB 1 22 GLU HA . . 4.610 3.798 3.647 4.195 . 0 0 "[ . 1 . 2]" 1
419 1 21 ALA MB 1 22 GLU QB . . 5.340 4.276 3.958 4.694 . 0 0 "[ . 1 . 2]" 1
420 1 21 ALA MB 1 22 GLU QG . . 5.340 3.753 3.143 4.878 . 0 0 "[ . 1 . 2]" 1
421 1 22 GLU H 1 22 GLU HB2 . . 3.840 2.336 2.183 2.518 . 0 0 "[ . 1 . 2]" 1
422 1 22 GLU H 1 22 GLU QB . . 3.110 2.304 2.128 2.471 . 0 0 "[ . 1 . 2]" 1
423 1 22 GLU H 1 22 GLU HB3 . . 3.840 3.535 2.949 3.666 . 0 0 "[ . 1 . 2]" 1
424 1 22 GLU H 1 22 GLU HG2 . . 4.440 3.558 2.487 4.415 . 0 0 "[ . 1 . 2]" 1
425 1 22 GLU H 1 22 GLU QG . . 3.850 2.845 2.209 3.782 . 0 0 "[ . 1 . 2]" 1
426 1 22 GLU H 1 22 GLU HG3 . . 4.440 3.268 2.234 4.286 . 0 0 "[ . 1 . 2]" 1
427 1 22 GLU H 1 23 ASP QB . . 4.790 4.519 3.903 4.779 . 0 0 "[ . 1 . 2]" 1
428 1 22 GLU HA 1 22 GLU HG2 . . 3.990 2.724 2.186 3.722 . 0 0 "[ . 1 . 2]" 1
429 1 22 GLU HA 1 22 GLU QG . . 3.310 2.434 2.143 2.935 . 0 0 "[ . 1 . 2]" 1
430 1 22 GLU HA 1 22 GLU HG3 . . 3.990 3.042 2.448 3.674 . 0 0 "[ . 1 . 2]" 1
431 1 22 GLU HA 1 62 TYR QD . . 4.710 4.480 3.962 4.708 . 0 0 "[ . 1 . 2]" 1
432 1 22 GLU QB 1 23 ASP H . . 4.170 2.983 2.427 3.910 . 0 0 "[ . 1 . 2]" 1
433 1 22 GLU QB 1 62 TYR QD . . 3.780 2.612 2.173 3.189 . 0 0 "[ . 1 . 2]" 1
434 1 22 GLU QB 1 62 TYR QE . . 4.330 3.472 2.929 4.193 . 0 0 "[ . 1 . 2]" 1
435 1 22 GLU HB2 1 23 ASP H . . 4.950 3.282 2.487 4.576 . 0 0 "[ . 1 . 2]" 1
436 1 22 GLU HB2 1 62 TYR QD . . 4.460 4.047 3.375 4.459 . 0 0 "[ . 1 . 2]" 1
437 1 22 GLU HB3 1 23 ASP H . . 4.950 3.622 2.707 4.355 . 0 0 "[ . 1 . 2]" 1
438 1 22 GLU HB3 1 62 TYR QD . . 4.460 2.647 2.200 3.266 . 0 0 "[ . 1 . 2]" 1
439 1 22 GLU QG 1 23 ASP H . . 5.340 4.359 4.048 4.862 . 0 0 "[ . 1 . 2]" 1
440 1 22 GLU QG 1 62 TYR QD . . 4.730 4.259 2.108 4.728 . 0 0 "[ . 1 . 2]" 1
441 1 22 GLU QG 1 62 TYR QE . . 4.800 4.118 2.160 4.752 . 0 0 "[ . 1 . 2]" 1
442 1 23 ASP H 1 23 ASP QB . . 3.550 2.443 2.187 2.943 . 0 0 "[ . 1 . 2]" 1
443 1 23 ASP H 1 24 LEU H . . 4.660 4.509 4.188 4.634 . 0 0 "[ . 1 . 2]" 1
444 1 23 ASP H 1 62 TYR H . . 4.990 4.429 3.998 4.741 . 0 0 "[ . 1 . 2]" 1
445 1 23 ASP HA 1 24 LEU H . . 3.020 2.360 2.188 2.529 . 0 0 "[ . 1 . 2]" 1
446 1 23 ASP HA 1 24 LEU HB2 . . 4.720 4.259 4.100 4.374 . 0 0 "[ . 1 . 2]" 1
447 1 23 ASP HA 1 24 LEU HB3 . . 4.950 4.744 4.590 4.902 . 0 0 "[ . 1 . 2]" 1
448 1 23 ASP HA 1 61 GLY HA2 . . 4.720 4.461 3.955 4.710 . 0 0 "[ . 1 . 2]" 1
449 1 23 ASP HA 1 61 GLY HA3 . . 4.480 3.515 3.167 3.810 . 0 0 "[ . 1 . 2]" 1
450 1 23 ASP HA 1 62 TYR H . . 2.990 2.196 1.949 2.469 . 0 0 "[ . 1 . 2]" 1
451 1 23 ASP HA 1 62 TYR HB2 . . 3.690 2.580 2.179 2.903 . 0 0 "[ . 1 . 2]" 1
452 1 23 ASP HA 1 62 TYR HB3 . . 4.310 4.103 3.723 4.310 . 0 0 "[ . 1 . 2]" 1
453 1 23 ASP HA 1 62 TYR QD . . 4.710 3.771 3.361 4.304 . 0 0 "[ . 1 . 2]" 1
454 1 23 ASP QB 1 24 LEU H . . 3.310 2.592 2.186 3.082 . 0 0 "[ . 1 . 2]" 1
455 1 23 ASP QB 1 62 TYR H . . 4.660 4.344 4.109 4.626 . 0 0 "[ . 1 . 2]" 1
456 1 24 LEU H 1 24 LEU HB2 . . 3.290 2.820 2.594 3.057 . 0 0 "[ . 1 . 2]" 1
457 1 24 LEU H 1 24 LEU HB3 . . 3.280 2.645 2.534 2.835 . 0 0 "[ . 1 . 2]" 1
458 1 24 LEU H 1 24 LEU MD1 . . 4.700 4.254 4.086 4.443 . 0 0 "[ . 1 . 2]" 1
459 1 24 LEU H 1 24 LEU MD2 . . 4.700 4.358 4.212 4.497 . 0 0 "[ . 1 . 2]" 1
460 1 24 LEU H 1 24 LEU HG . . 4.680 4.529 4.436 4.639 . 0 0 "[ . 1 . 2]" 1
461 1 24 LEU H 1 25 SER H . . 4.660 4.506 4.417 4.569 . 0 0 "[ . 1 . 2]" 1
462 1 24 LEU H 1 61 GLY HA2 . . 5.430 4.942 4.462 5.350 . 0 0 "[ . 1 . 2]" 1
463 1 24 LEU H 1 61 GLY HA3 . . 4.270 3.469 3.097 3.807 . 0 0 "[ . 1 . 2]" 1
464 1 24 LEU H 1 62 TYR H . . 3.800 3.326 2.981 3.703 . 0 0 "[ . 1 . 2]" 1
465 1 24 LEU H 1 63 ILE HA . . 4.570 3.865 3.644 3.983 . 0 0 "[ . 1 . 2]" 1
466 1 24 LEU H 1 63 ILE MG . . 3.980 2.591 2.269 2.795 . 0 0 "[ . 1 . 2]" 1
467 1 24 LEU HA 1 24 LEU MD1 . . 3.360 2.391 2.001 2.629 . 0 0 "[ . 1 . 2]" 1
468 1 24 LEU HA 1 24 LEU MD2 . . 4.040 3.895 3.848 3.945 . 0 0 "[ . 1 . 2]" 1
469 1 24 LEU HA 1 24 LEU HG . . 3.830 2.833 2.721 2.960 . 0 0 "[ . 1 . 2]" 1
470 1 24 LEU HA 1 25 SER H . . 2.840 2.259 2.181 2.345 . 0 0 "[ . 1 . 2]" 1
471 1 24 LEU HB2 1 24 LEU MD2 . . 3.510 2.547 2.352 2.691 . 0 0 "[ . 1 . 2]" 1
472 1 24 LEU HB2 1 25 SER H . . 4.730 4.066 3.955 4.270 . 0 0 "[ . 1 . 2]" 1
473 1 24 LEU HB2 1 26 PHE QD . . 5.500 5.338 4.870 5.487 . 0 0 "[ . 1 . 2]" 1
474 1 24 LEU HB2 1 61 GLY H . . 3.760 2.821 2.357 3.198 . 0 0 "[ . 1 . 2]" 1
475 1 24 LEU HB2 1 61 GLY HA2 . . 4.280 3.762 3.566 4.049 . 0 0 "[ . 1 . 2]" 1
476 1 24 LEU HB2 1 61 GLY HA3 . . 3.970 2.222 2.009 2.583 . 0 0 "[ . 1 . 2]" 1
477 1 24 LEU HB2 1 62 TYR H . . 4.430 3.916 3.725 4.192 . 0 0 "[ . 1 . 2]" 1
478 1 24 LEU HB2 1 63 ILE MG . . 3.550 3.035 2.774 3.304 . 0 0 "[ . 1 . 2]" 1
479 1 24 LEU HB3 1 24 LEU MD2 . . 3.210 2.144 1.971 2.326 . 0 0 "[ . 1 . 2]" 1
480 1 24 LEU HB3 1 25 SER H . . 3.990 3.788 3.502 3.978 . 0 0 "[ . 1 . 2]" 1
481 1 24 LEU HB3 1 26 PHE QD . . 4.340 3.697 3.148 3.917 . 0 0 "[ . 1 . 2]" 1
482 1 24 LEU HB3 1 61 GLY H . . 4.450 3.836 3.351 4.351 . 0 0 "[ . 1 . 2]" 1
483 1 24 LEU HB3 1 61 GLY HA3 . . 4.610 3.749 3.341 4.207 . 0 0 "[ . 1 . 2]" 1
484 1 24 LEU HB3 1 63 ILE MG . . 3.230 1.932 1.872 2.055 . 0 0 "[ . 1 . 2]" 1
485 1 24 LEU MD1 1 25 SER H . . 3.290 2.809 2.533 3.141 . 0 0 "[ . 1 . 2]" 1
486 1 24 LEU MD1 1 32 LEU MD2 . . 4.620 4.190 3.890 4.487 . 0 0 "[ . 1 . 2]" 1
487 1 24 LEU MD1 1 46 ARG HA . . 4.050 3.871 3.559 4.039 . 0 0 "[ . 1 . 2]" 1
488 1 24 LEU MD1 1 47 HIS H . . 4.010 3.758 3.473 4.002 . 0 0 "[ . 1 . 2]" 1
489 1 24 LEU MD1 1 47 HIS HB2 . . 4.660 4.174 3.992 4.417 . 0 0 "[ . 1 . 2]" 1
490 1 24 LEU MD1 1 47 HIS HD2 . . 3.340 2.279 1.942 2.623 . 0 0 "[ . 1 . 2]" 1
491 1 24 LEU MD1 1 58 GLN QB . . 4.450 2.931 2.053 3.941 . 0 0 "[ . 1 . 2]" 1
492 1 24 LEU MD1 1 58 GLN QE . . 4.730 3.774 2.250 4.679 . 0 0 "[ . 1 . 2]" 1
493 1 24 LEU MD1 1 58 GLN HG2 . . 4.660 2.778 2.016 3.382 . 0 0 "[ . 1 . 2]" 1
494 1 24 LEU MD1 1 58 GLN QG . . 3.950 2.512 1.833 3.304 . 0 0 "[ . 1 . 2]" 1
495 1 24 LEU MD1 1 58 GLN HG3 . . 4.660 3.258 1.989 4.638 . 0 0 "[ . 1 . 2]" 1
496 1 24 LEU MD1 1 59 LEU HA . . 4.480 2.821 2.598 3.075 . 0 0 "[ . 1 . 2]" 1
497 1 24 LEU MD1 1 60 GLN H . . 3.980 3.129 2.877 3.449 . 0 0 "[ . 1 . 2]" 1
498 1 24 LEU MD1 1 60 GLN HA . . 3.670 2.734 2.121 3.252 . 0 0 "[ . 1 . 2]" 1
499 1 24 LEU MD1 1 61 GLY H . . 3.810 3.185 2.703 3.776 . 0 0 "[ . 1 . 2]" 1
500 1 24 LEU MD1 1 61 GLY HA2 . . 4.750 4.244 3.826 4.678 . 0 0 "[ . 1 . 2]" 1
501 1 24 LEU MD1 1 61 GLY HA3 . . 4.630 3.111 2.609 3.541 . 0 0 "[ . 1 . 2]" 1
502 1 24 LEU MD2 1 25 SER H . . 4.450 3.908 3.657 4.263 . 0 0 "[ . 1 . 2]" 1
503 1 24 LEU MD2 1 26 PHE QB . . 4.760 3.484 3.143 3.967 . 0 0 "[ . 1 . 2]" 1
504 1 24 LEU MD2 1 26 PHE QD . . 4.160 3.472 3.026 3.844 . 0 0 "[ . 1 . 2]" 1
505 1 24 LEU MD2 1 32 LEU MD1 . . 3.810 3.255 2.852 3.625 . 0 0 "[ . 1 . 2]" 1
506 1 24 LEU MD2 1 32 LEU MD2 . . 3.200 2.221 2.030 2.429 . 0 0 "[ . 1 . 2]" 1
507 1 24 LEU MD2 1 45 ALA H . . 4.740 3.980 3.810 4.121 . 0 0 "[ . 1 . 2]" 1
508 1 24 LEU MD2 1 45 ALA MB . . 3.380 3.285 3.093 3.380 0.000 5 0 "[ . 1 . 2]" 1
509 1 24 LEU MD2 1 46 ARG HA . . 3.670 2.993 2.466 3.429 . 0 0 "[ . 1 . 2]" 1
510 1 24 LEU MD2 1 47 HIS H . . 3.930 3.243 2.820 3.638 . 0 0 "[ . 1 . 2]" 1
511 1 24 LEU MD2 1 47 HIS HA . . 4.670 3.794 3.506 4.078 . 0 0 "[ . 1 . 2]" 1
512 1 24 LEU MD2 1 47 HIS HB2 . . 4.720 4.122 3.779 4.630 . 0 0 "[ . 1 . 2]" 1
513 1 24 LEU MD2 1 47 HIS HD2 . . 3.800 2.882 2.420 3.596 . 0 0 "[ . 1 . 2]" 1
514 1 24 LEU MD2 1 59 LEU HA . . 5.500 4.115 3.700 4.717 . 0 0 "[ . 1 . 2]" 1
515 1 24 LEU MD2 1 60 GLN H . . 4.840 4.475 4.016 4.777 . 0 0 "[ . 1 . 2]" 1
516 1 24 LEU MD2 1 60 GLN HA . . 3.730 2.625 1.987 3.303 . 0 0 "[ . 1 . 2]" 1
517 1 24 LEU MD2 1 61 GLY H . . 3.700 2.782 2.117 3.412 . 0 0 "[ . 1 . 2]" 1
518 1 24 LEU MD2 1 61 GLY HA3 . . 4.810 4.075 3.796 4.256 . 0 0 "[ . 1 . 2]" 1
519 1 24 LEU MD2 1 63 ILE MG . . 3.160 2.415 1.977 2.933 . 0 0 "[ . 1 . 2]" 1
520 1 24 LEU HG 1 25 SER H . . 3.700 2.230 1.936 2.657 . 0 0 "[ . 1 . 2]" 1
521 1 24 LEU HG 1 26 PHE QD . . 4.250 3.864 3.437 4.158 . 0 0 "[ . 1 . 2]" 1
522 1 24 LEU HG 1 47 HIS HD2 . . 4.300 3.669 3.346 4.286 . 0 0 "[ . 1 . 2]" 1
523 1 24 LEU HG 1 61 GLY H . . 5.400 5.032 4.624 5.399 . 0 0 "[ . 1 . 2]" 1
524 1 25 SER H 1 25 SER HB2 . . 3.870 3.484 2.677 3.776 . 0 0 "[ . 1 . 2]" 1
525 1 25 SER H 1 25 SER QB . . 3.270 2.701 2.347 2.936 . 0 0 "[ . 1 . 2]" 1
526 1 25 SER H 1 25 SER HB3 . . 3.870 2.899 2.488 3.735 . 0 0 "[ . 1 . 2]" 1
527 1 25 SER H 1 26 PHE H . . 4.880 4.522 4.367 4.569 . 0 0 "[ . 1 . 2]" 1
528 1 25 SER H 1 26 PHE QD . . 4.850 4.441 4.175 4.637 . 0 0 "[ . 1 . 2]" 1
529 1 25 SER HA 1 26 PHE H . . 2.840 2.275 2.141 2.358 . 0 0 "[ . 1 . 2]" 1
530 1 25 SER HA 1 26 PHE QD . . 4.150 3.299 2.907 3.629 . 0 0 "[ . 1 . 2]" 1
531 1 25 SER QB 1 26 PHE H . . 3.390 2.889 2.551 3.388 . 0 0 "[ . 1 . 2]" 1
532 1 26 PHE H 1 26 PHE QD . . 4.240 3.132 2.724 3.419 . 0 0 "[ . 1 . 2]" 1
533 1 26 PHE H 1 27 ARG H . . 4.860 4.378 4.352 4.424 . 0 0 "[ . 1 . 2]" 1
534 1 26 PHE H 1 27 ARG QG . . 4.870 4.489 4.207 4.796 . 0 0 "[ . 1 . 2]" 1
535 1 26 PHE HA 1 26 PHE QD . . 4.030 3.716 3.689 3.728 . 0 0 "[ . 1 . 2]" 1
536 1 26 PHE HA 1 27 ARG H . . 2.980 2.479 2.383 2.584 . 0 0 "[ . 1 . 2]" 1
537 1 26 PHE HA 1 27 ARG HB2 . . 5.220 4.570 4.392 4.726 . 0 0 "[ . 1 . 2]" 1
538 1 26 PHE HA 1 27 ARG QG . . 4.290 3.538 3.290 3.799 . 0 0 "[ . 1 . 2]" 1
539 1 26 PHE HA 1 32 LEU MD1 . . 5.430 4.308 4.081 4.496 . 0 0 "[ . 1 . 2]" 1
540 1 26 PHE HA 1 47 HIS HE1 . . 3.780 2.851 2.599 3.175 . 0 0 "[ . 1 . 2]" 1
541 1 26 PHE QB 1 27 ARG H . . 3.090 2.250 2.067 2.445 . 0 0 "[ . 1 . 2]" 1
542 1 26 PHE QB 1 30 ASP QB . . 3.460 2.365 2.105 2.944 . 0 0 "[ . 1 . 2]" 1
543 1 26 PHE QB 1 32 LEU MD2 . . 3.620 2.735 2.454 3.031 . 0 0 "[ . 1 . 2]" 1
544 1 26 PHE HB2 1 27 ARG H . . 3.770 2.272 2.081 2.478 . 0 0 "[ . 1 . 2]" 1
545 1 26 PHE HB2 1 30 ASP HB2 . . 4.780 2.691 2.224 3.810 . 0 0 "[ . 1 . 2]" 1
546 1 26 PHE HB2 1 30 ASP HB3 . . 4.780 2.941 2.440 3.391 . 0 0 "[ . 1 . 2]" 1
547 1 26 PHE HB2 1 32 LEU MD1 . . 4.510 2.510 2.117 2.791 . 0 0 "[ . 1 . 2]" 1
548 1 26 PHE HB2 1 32 LEU MD2 . . 4.250 3.589 3.134 3.943 . 0 0 "[ . 1 . 2]" 1
549 1 26 PHE HB2 1 47 HIS HE1 . . 4.030 3.794 3.453 4.028 . 0 0 "[ . 1 . 2]" 1
550 1 26 PHE HB3 1 27 ARG H . . 3.770 3.636 3.550 3.761 . 0 0 "[ . 1 . 2]" 1
551 1 26 PHE HB3 1 30 ASP HB2 . . 4.780 4.178 3.811 4.772 . 0 0 "[ . 1 . 2]" 1
552 1 26 PHE HB3 1 30 ASP HB3 . . 4.780 3.982 3.616 4.633 . 0 0 "[ . 1 . 2]" 1
553 1 26 PHE HB3 1 32 LEU MD1 . . 4.510 2.357 2.043 2.620 . 0 0 "[ . 1 . 2]" 1
554 1 26 PHE HB3 1 32 LEU MD2 . . 4.250 2.840 2.545 3.191 . 0 0 "[ . 1 . 2]" 1
555 1 26 PHE HB3 1 47 HIS HE1 . . 4.030 3.177 2.807 3.452 . 0 0 "[ . 1 . 2]" 1
556 1 26 PHE QD 1 27 ARG H . . 3.910 3.258 2.834 3.496 . 0 0 "[ . 1 . 2]" 1
557 1 26 PHE QD 1 27 ARG HA . . 4.640 3.703 3.332 3.993 . 0 0 "[ . 1 . 2]" 1
558 1 26 PHE QD 1 28 ALA HA . . 4.750 4.319 4.152 4.514 . 0 0 "[ . 1 . 2]" 1
559 1 26 PHE QD 1 30 ASP H . . 4.930 4.554 4.125 4.785 . 0 0 "[ . 1 . 2]" 1
560 1 26 PHE QD 1 30 ASP QB . . 4.500 3.430 3.057 4.006 . 0 0 "[ . 1 . 2]" 1
561 1 26 PHE QD 1 32 LEU MD1 . . 4.160 2.847 2.686 3.022 . 0 0 "[ . 1 . 2]" 1
562 1 26 PHE QD 1 32 LEU MD2 . . 4.160 3.850 3.527 4.139 . 0 0 "[ . 1 . 2]" 1
563 1 26 PHE QD 1 47 HIS HE1 . . 5.350 4.985 4.663 5.248 . 0 0 "[ . 1 . 2]" 1
564 1 26 PHE QD 1 63 ILE HB . . 4.730 3.776 3.605 4.231 . 0 0 "[ . 1 . 2]" 1
565 1 26 PHE QD 1 63 ILE MG . . 3.570 2.496 2.204 2.798 . 0 0 "[ . 1 . 2]" 1
566 1 26 PHE QE 1 32 LEU MD1 . . 4.680 3.726 3.445 4.055 . 0 0 "[ . 1 . 2]" 1
567 1 26 PHE QE 1 63 ILE HA . . 3.930 3.341 3.011 3.919 . 0 0 "[ . 1 . 2]" 1
568 1 26 PHE QE 1 63 ILE HB . . 3.300 2.123 2.000 2.451 . 0 0 "[ . 1 . 2]" 1
569 1 26 PHE QE 1 63 ILE MD . . 4.220 3.374 3.139 3.606 . 0 0 "[ . 1 . 2]" 1
570 1 26 PHE QE 1 63 ILE HG13 . . 5.370 4.621 4.486 4.915 . 0 0 "[ . 1 . 2]" 1
571 1 26 PHE QE 1 63 ILE MG . . 3.180 2.286 1.984 2.646 . 0 0 "[ . 1 . 2]" 1
572 1 26 PHE QE 1 64 PRO QD . . 3.380 2.237 2.020 2.887 . 0 0 "[ . 1 . 2]" 1
573 1 26 PHE QE 1 64 PRO QG . . 4.450 3.484 3.288 3.982 . 0 0 "[ . 1 . 2]" 1
574 1 26 PHE QE 1 67 TYR HB2 . . 4.180 3.688 3.512 3.848 . 0 0 "[ . 1 . 2]" 1
575 1 26 PHE QE 1 67 TYR HB3 . . 3.810 2.521 2.266 2.738 . 0 0 "[ . 1 . 2]" 1
576 1 26 PHE QE 1 67 TYR QD . . 3.730 3.033 2.497 3.380 . 0 0 "[ . 1 . 2]" 1
577 1 26 PHE QE 1 67 TYR QE . . 5.410 5.009 4.581 5.287 . 0 0 "[ . 1 . 2]" 1
578 1 26 PHE QE 1 68 VAL MG1 . . 4.320 3.042 2.746 3.435 . 0 0 "[ . 1 . 2]" 1
579 1 26 PHE HZ 1 63 ILE HB . . 4.230 3.467 3.101 3.771 . 0 0 "[ . 1 . 2]" 1
580 1 26 PHE HZ 1 63 ILE MG . . 4.540 4.332 4.035 4.511 . 0 0 "[ . 1 . 2]" 1
581 1 26 PHE HZ 1 64 PRO QD . . 3.500 2.807 2.424 3.294 . 0 0 "[ . 1 . 2]" 1
582 1 26 PHE HZ 1 64 PRO QG . . 4.280 2.508 2.100 3.181 . 0 0 "[ . 1 . 2]" 1
583 1 26 PHE HZ 1 67 TYR H . . 4.940 4.812 4.626 4.936 . 0 0 "[ . 1 . 2]" 1
584 1 26 PHE HZ 1 67 TYR HB2 . . 3.670 2.613 2.368 2.799 . 0 0 "[ . 1 . 2]" 1
585 1 26 PHE HZ 1 67 TYR HB3 . . 3.670 2.503 2.180 2.793 . 0 0 "[ . 1 . 2]" 1
586 1 26 PHE HZ 1 67 TYR QD . . 4.030 3.145 2.691 3.456 . 0 0 "[ . 1 . 2]" 1
587 1 26 PHE HZ 1 68 VAL MG1 . . 4.320 3.325 3.108 3.587 . 0 0 "[ . 1 . 2]" 1
588 1 27 ARG H 1 27 ARG HB2 . . 3.400 2.630 2.517 2.789 . 0 0 "[ . 1 . 2]" 1
589 1 27 ARG H 1 27 ARG HB3 . . 3.960 3.766 3.705 3.856 . 0 0 "[ . 1 . 2]" 1
590 1 27 ARG H 1 27 ARG HG2 . . 4.240 3.473 2.710 3.943 . 0 0 "[ . 1 . 2]" 1
591 1 27 ARG H 1 27 ARG HG3 . . 4.240 3.498 3.014 4.235 . 0 0 "[ . 1 . 2]" 1
592 1 27 ARG H 1 28 ALA H . . 4.760 4.471 4.442 4.499 . 0 0 "[ . 1 . 2]" 1
593 1 27 ARG H 1 30 ASP H . . 4.570 4.225 3.632 4.570 0.000 13 0 "[ . 1 . 2]" 1
594 1 27 ARG H 1 30 ASP HB2 . . 4.430 2.568 2.117 3.541 . 0 0 "[ . 1 . 2]" 1
595 1 27 ARG H 1 30 ASP QB . . 3.770 2.446 2.085 2.762 . 0 0 "[ . 1 . 2]" 1
596 1 27 ARG H 1 30 ASP HB3 . . 4.430 3.312 2.485 3.651 . 0 0 "[ . 1 . 2]" 1
597 1 27 ARG H 1 47 HIS HE1 . . 4.530 4.272 4.046 4.523 . 0 0 "[ . 1 . 2]" 1
598 1 27 ARG HA 1 27 ARG QD . . 3.760 3.194 2.084 3.760 . 0 0 "[ . 1 . 2]" 1
599 1 27 ARG HA 1 27 ARG HG2 . . 4.210 2.558 2.268 3.220 . 0 0 "[ . 1 . 2]" 1
600 1 27 ARG HA 1 27 ARG QG . . 3.450 2.496 2.229 3.040 . 0 0 "[ . 1 . 2]" 1
601 1 27 ARG HA 1 27 ARG HG3 . . 4.210 3.513 3.280 3.834 . 0 0 "[ . 1 . 2]" 1
602 1 27 ARG HA 1 28 ALA H . . 2.800 2.428 2.330 2.506 . 0 0 "[ . 1 . 2]" 1
603 1 27 ARG HA 1 28 ALA MB . . 4.310 4.145 4.073 4.205 . 0 0 "[ . 1 . 2]" 1
604 1 27 ARG HB2 1 27 ARG QD . . 3.920 3.042 2.558 3.421 . 0 0 "[ . 1 . 2]" 1
605 1 27 ARG HB2 1 28 ALA H . . 3.750 3.582 3.378 3.718 . 0 0 "[ . 1 . 2]" 1
606 1 27 ARG HB2 1 28 ALA MB . . 4.970 4.858 4.693 4.967 . 0 0 "[ . 1 . 2]" 1
607 1 27 ARG HB3 1 27 ARG QD . . 3.570 2.239 2.071 2.513 . 0 0 "[ . 1 . 2]" 1
608 1 27 ARG HB3 1 28 ALA H . . 3.340 2.382 2.222 2.619 . 0 0 "[ . 1 . 2]" 1
609 1 27 ARG HB3 1 28 ALA MB . . 4.590 3.846 3.706 4.011 . 0 0 "[ . 1 . 2]" 1
610 1 27 ARG QD 1 28 ALA H . . 4.410 3.807 3.091 4.333 . 0 0 "[ . 1 . 2]" 1
611 1 27 ARG QG 1 28 ALA H . . 5.060 4.028 3.700 4.397 . 0 0 "[ . 1 . 2]" 1
612 1 28 ALA H 1 28 ALA MB . . 2.940 2.127 2.024 2.251 . 0 0 "[ . 1 . 2]" 1
613 1 28 ALA HA 1 29 GLY H . . 2.730 2.154 2.145 2.172 . 0 0 "[ . 1 . 2]" 1
614 1 28 ALA HA 1 30 ASP H . . 4.030 3.834 3.495 4.030 . 5 0 "[ . 1 . 2]" 1
615 1 28 ALA MB 1 29 GLY H . . 3.520 3.351 3.262 3.428 . 0 0 "[ . 1 . 2]" 1
616 1 28 ALA MB 1 29 GLY HA2 . . 4.950 4.499 4.353 4.569 . 0 0 "[ . 1 . 2]" 1
617 1 28 ALA MB 1 29 GLY HA3 . . 4.830 4.034 3.967 4.103 . 0 0 "[ . 1 . 2]" 1
618 1 29 GLY H 1 30 ASP H . . 3.350 2.353 2.046 2.962 . 0 0 "[ . 1 . 2]" 1
619 1 30 ASP H 1 30 ASP HB2 . . 3.710 2.439 2.184 3.674 . 0 0 "[ . 1 . 2]" 1
620 1 30 ASP H 1 30 ASP QB . . 3.090 2.319 2.138 2.473 . 0 0 "[ . 1 . 2]" 1
621 1 30 ASP H 1 30 ASP HB3 . . 3.710 3.373 2.503 3.686 . 0 0 "[ . 1 . 2]" 1
622 1 30 ASP HA 1 31 LYS H . . 2.880 2.175 2.138 2.421 . 0 0 "[ . 1 . 2]" 1
623 1 30 ASP QB 1 31 LYS H . . 3.560 3.403 2.577 3.560 . 0 0 "[ . 1 . 2]" 1
624 1 30 ASP QB 1 32 LEU MD1 . . 4.040 2.959 2.654 3.876 . 0 0 "[ . 1 . 2]" 1
625 1 30 ASP QB 1 32 LEU MD2 . . 3.930 3.319 3.050 3.670 . 0 0 "[ . 1 . 2]" 1
626 1 30 ASP QB 1 32 LEU HG . . 4.370 2.992 2.744 3.776 . 0 0 "[ . 1 . 2]" 1
627 1 30 ASP QB 1 47 HIS HE1 . . 4.090 3.725 3.315 4.088 . 0 0 "[ . 1 . 2]" 1
628 1 30 ASP HB2 1 32 LEU MD1 . . 4.630 3.550 2.871 4.575 . 0 0 "[ . 1 . 2]" 1
629 1 30 ASP HB2 1 32 LEU MD2 . . 4.640 4.373 3.849 4.630 . 0 0 "[ . 1 . 2]" 1
630 1 30 ASP HB3 1 32 LEU MD1 . . 4.630 3.294 2.971 4.327 . 0 0 "[ . 1 . 2]" 1
631 1 30 ASP HB3 1 32 LEU MD2 . . 4.640 3.476 3.130 4.628 . 0 0 "[ . 1 . 2]" 1
632 1 31 LYS H 1 31 LYS QB . . 3.020 2.434 2.245 2.555 . 0 0 "[ . 1 . 2]" 1
633 1 31 LYS H 1 31 LYS HD2 . . 5.070 4.722 3.777 5.056 . 0 0 "[ . 1 . 2]" 1
634 1 31 LYS H 1 31 LYS HD3 . . 5.070 4.153 3.616 4.575 . 0 0 "[ . 1 . 2]" 1
635 1 31 LYS H 1 31 LYS HG2 . . 3.780 2.350 1.961 2.725 . 0 0 "[ . 1 . 2]" 1
636 1 31 LYS H 1 31 LYS QG . . 3.230 2.314 1.948 2.645 . 0 0 "[ . 1 . 2]" 1
637 1 31 LYS H 1 31 LYS HG3 . . 3.780 3.519 3.304 3.726 . 0 0 "[ . 1 . 2]" 1
638 1 31 LYS H 1 32 LEU H . . 4.550 4.430 4.255 4.553 0.003 13 0 "[ . 1 . 2]" 1
639 1 31 LYS HA 1 31 LYS HD2 . . 4.670 3.243 2.018 3.657 . 0 0 "[ . 1 . 2]" 1
640 1 31 LYS HA 1 31 LYS HD3 . . 4.060 2.503 2.149 3.610 . 0 0 "[ . 1 . 2]" 1
641 1 31 LYS HA 1 31 LYS HG2 . . 3.840 2.836 2.525 3.030 . 0 0 "[ . 1 . 2]" 1
642 1 31 LYS HA 1 31 LYS HG3 . . 3.840 3.785 3.669 3.841 0.001 13 0 "[ . 1 . 2]" 1
643 1 31 LYS HA 1 32 LEU H . . 2.670 2.148 2.141 2.170 . 0 0 "[ . 1 . 2]" 1
644 1 31 LYS HA 1 32 LEU HG . . 4.510 3.946 3.739 4.185 . 0 0 "[ . 1 . 2]" 1
645 1 31 LYS QB 1 31 LYS HD2 . . 3.630 2.391 2.122 2.670 . 0 0 "[ . 1 . 2]" 1
646 1 31 LYS QB 1 31 LYS HD3 . . 3.630 2.833 2.555 3.479 . 0 0 "[ . 1 . 2]" 1
647 1 31 LYS QB 1 31 LYS QE . . 4.370 3.514 2.277 3.798 . 0 0 "[ . 1 . 2]" 1
648 1 31 LYS QB 1 32 LEU H . . 3.650 3.379 3.125 3.569 . 0 0 "[ . 1 . 2]" 1
649 1 31 LYS QB 1 48 LEU H . . 4.580 3.986 3.617 4.457 . 0 0 "[ . 1 . 2]" 1
650 1 31 LYS QB 1 48 LEU HB2 . . 3.770 2.508 2.023 3.007 . 0 0 "[ . 1 . 2]" 1
651 1 31 LYS QB 1 48 LEU MD1 . . 3.370 2.125 1.879 2.365 . 0 0 "[ . 1 . 2]" 1
652 1 31 LYS QB 1 49 GLU QG . . 4.490 2.889 2.289 4.222 . 0 0 "[ . 1 . 2]" 1
653 1 31 LYS HD2 1 48 LEU MD1 . . 4.270 3.787 2.957 4.269 . 0 0 "[ . 1 . 2]" 1
654 1 31 LYS QG 1 49 GLU QG . . 5.180 3.502 2.781 5.098 . 0 0 "[ . 1 . 2]" 1
655 1 32 LEU H 1 32 LEU HB2 . . 3.290 2.704 2.572 2.818 . 0 0 "[ . 1 . 2]" 1
656 1 32 LEU H 1 32 LEU HB3 . . 4.030 3.809 3.737 3.869 . 0 0 "[ . 1 . 2]" 1
657 1 32 LEU H 1 32 LEU MD1 . . 4.160 3.792 3.535 3.972 . 0 0 "[ . 1 . 2]" 1
658 1 32 LEU H 1 32 LEU MD2 . . 4.630 4.132 3.870 4.280 . 0 0 "[ . 1 . 2]" 1
659 1 32 LEU H 1 32 LEU HG . . 3.990 3.046 2.793 3.278 . 0 0 "[ . 1 . 2]" 1
660 1 32 LEU H 1 48 LEU MD1 . . 4.290 3.192 2.625 3.523 . 0 0 "[ . 1 . 2]" 1
661 1 32 LEU HA 1 32 LEU MD1 . . 4.420 3.934 3.908 3.960 . 0 0 "[ . 1 . 2]" 1
662 1 32 LEU HA 1 32 LEU MD2 . . 3.290 2.371 2.156 2.576 . 0 0 "[ . 1 . 2]" 1
663 1 32 LEU HA 1 32 LEU HG . . 4.130 2.915 2.787 3.096 . 0 0 "[ . 1 . 2]" 1
664 1 32 LEU HA 1 33 GLN H . . 2.840 2.173 2.148 2.210 . 0 0 "[ . 1 . 2]" 1
665 1 32 LEU HA 1 45 ALA MB . . 4.880 3.876 3.770 4.028 . 0 0 "[ . 1 . 2]" 1
666 1 32 LEU HA 1 46 ARG H . . 4.480 4.403 4.290 4.477 . 0 0 "[ . 1 . 2]" 1
667 1 32 LEU HA 1 47 HIS HA . . 3.820 3.503 3.229 3.705 . 0 0 "[ . 1 . 2]" 1
668 1 32 LEU HA 1 48 LEU H . . 3.560 3.302 3.023 3.510 . 0 0 "[ . 1 . 2]" 1
669 1 32 LEU HA 1 48 LEU HB2 . . 4.780 3.991 3.649 4.390 . 0 0 "[ . 1 . 2]" 1
670 1 32 LEU HA 1 48 LEU MD1 . . 4.140 2.789 2.315 3.366 . 0 0 "[ . 1 . 2]" 1
671 1 32 LEU HA 1 48 LEU HG . . 3.920 2.674 2.379 2.907 . 0 0 "[ . 1 . 2]" 1
672 1 32 LEU HB2 1 32 LEU MD1 . . 3.030 2.147 2.015 2.262 . 0 0 "[ . 1 . 2]" 1
673 1 32 LEU HB2 1 68 VAL MG1 . . 3.990 3.618 3.287 3.915 . 0 0 "[ . 1 . 2]" 1
674 1 32 LEU HB3 1 32 LEU MD1 . . 3.320 2.578 2.482 2.673 . 0 0 "[ . 1 . 2]" 1
675 1 32 LEU HB3 1 32 LEU MD2 . . 3.160 2.184 2.040 2.308 . 0 0 "[ . 1 . 2]" 1
676 1 32 LEU HB3 1 33 GLN H . . 3.510 3.142 2.971 3.309 . 0 0 "[ . 1 . 2]" 1
677 1 32 LEU HB3 1 34 VAL MG2 . . 4.720 4.553 4.389 4.704 . 0 0 "[ . 1 . 2]" 1
678 1 32 LEU HB3 1 46 ARG H . . 4.270 4.019 3.815 4.229 . 0 0 "[ . 1 . 2]" 1
679 1 32 LEU HB3 1 63 ILE MD . . 4.540 3.096 2.803 3.413 . 0 0 "[ . 1 . 2]" 1
680 1 32 LEU MD1 1 63 ILE HB . . 4.610 4.048 3.742 4.408 . 0 0 "[ . 1 . 2]" 1
681 1 32 LEU MD1 1 63 ILE MD . . 3.240 2.195 1.956 2.562 . 0 0 "[ . 1 . 2]" 1
682 1 32 LEU MD1 1 63 ILE MG . . 3.670 3.225 3.003 3.544 . 0 0 "[ . 1 . 2]" 1
683 1 32 LEU MD1 1 68 VAL MG1 . . 2.970 2.556 2.227 2.835 . 0 0 "[ . 1 . 2]" 1
684 1 32 LEU MD1 1 68 VAL MG2 . . 4.690 4.170 3.894 4.491 . 0 0 "[ . 1 . 2]" 1
685 1 32 LEU MD2 1 33 GLN H . . 4.150 3.665 3.442 3.789 . 0 0 "[ . 1 . 2]" 1
686 1 32 LEU MD2 1 45 ALA MB . . 3.690 3.098 2.713 3.554 . 0 0 "[ . 1 . 2]" 1
687 1 32 LEU MD2 1 46 ARG H . . 4.630 4.120 3.860 4.429 . 0 0 "[ . 1 . 2]" 1
688 1 32 LEU MD2 1 46 ARG HA . . 4.680 4.107 3.820 4.462 . 0 0 "[ . 1 . 2]" 1
689 1 32 LEU MD2 1 47 HIS H . . 4.630 3.821 3.600 4.066 . 0 0 "[ . 1 . 2]" 1
690 1 32 LEU MD2 1 47 HIS HA . . 3.180 2.191 1.985 2.505 . 0 0 "[ . 1 . 2]" 1
691 1 32 LEU MD2 1 47 HIS HB2 . . 4.890 4.359 4.184 4.619 . 0 0 "[ . 1 . 2]" 1
692 1 32 LEU MD2 1 47 HIS HD2 . . 4.670 4.242 3.849 4.540 . 0 0 "[ . 1 . 2]" 1
693 1 32 LEU MD2 1 47 HIS HE1 . . 4.290 3.105 2.792 3.436 . 0 0 "[ . 1 . 2]" 1
694 1 32 LEU MD2 1 48 LEU H . . 4.140 3.240 2.890 3.560 . 0 0 "[ . 1 . 2]" 1
695 1 32 LEU MD2 1 48 LEU MD1 . . 5.270 4.396 4.055 4.708 . 0 0 "[ . 1 . 2]" 1
696 1 32 LEU MD2 1 48 LEU HG . . 4.260 4.077 3.619 4.249 . 0 0 "[ . 1 . 2]" 1
697 1 32 LEU MD2 1 63 ILE MG . . 3.990 3.679 3.350 3.977 . 0 0 "[ . 1 . 2]" 1
698 1 32 LEU HG 1 47 HIS HA . . 4.710 4.391 4.012 4.689 . 0 0 "[ . 1 . 2]" 1
699 1 33 GLN H 1 33 GLN HB2 . . 3.430 2.845 2.673 3.055 . 0 0 "[ . 1 . 2]" 1
700 1 33 GLN H 1 33 GLN HB3 . . 3.320 2.499 2.378 2.664 . 0 0 "[ . 1 . 2]" 1
701 1 33 GLN H 1 45 ALA HA . . 5.370 4.686 4.498 4.946 . 0 0 "[ . 1 . 2]" 1
702 1 33 GLN H 1 45 ALA MB . . 3.630 3.167 2.870 3.529 . 0 0 "[ . 1 . 2]" 1
703 1 33 GLN H 1 46 ARG H . . 3.440 2.950 2.751 3.217 . 0 0 "[ . 1 . 2]" 1
704 1 33 GLN H 1 46 ARG HA . . 5.500 5.144 4.922 5.381 . 0 0 "[ . 1 . 2]" 1
705 1 33 GLN H 1 46 ARG HG3 . . 4.410 4.024 3.382 4.348 . 0 0 "[ . 1 . 2]" 1
706 1 33 GLN H 1 47 HIS HA . . 4.670 4.527 4.300 4.658 . 0 0 "[ . 1 . 2]" 1
707 1 33 GLN H 1 48 LEU H . . 4.570 4.417 4.179 4.570 0.000 6 0 "[ . 1 . 2]" 1
708 1 33 GLN H 1 48 LEU MD1 . . 4.060 2.790 2.418 3.540 . 0 0 "[ . 1 . 2]" 1
709 1 33 GLN H 1 48 LEU MD2 . . 4.630 3.176 2.711 3.499 . 0 0 "[ . 1 . 2]" 1
710 1 33 GLN H 1 48 LEU HG . . 4.000 2.574 2.325 2.957 . 0 0 "[ . 1 . 2]" 1
711 1 33 GLN HA 1 33 GLN QG . . 3.630 2.493 2.296 2.639 . 0 0 "[ . 1 . 2]" 1
712 1 33 GLN HA 1 34 VAL H . . 2.900 2.142 2.139 2.180 . 0 0 "[ . 1 . 2]" 1
713 1 33 GLN HA 1 34 VAL HB . . 4.840 4.578 4.499 4.647 . 0 0 "[ . 1 . 2]" 1
714 1 33 GLN HA 1 34 VAL MG2 . . 4.450 3.780 3.566 3.971 . 0 0 "[ . 1 . 2]" 1
715 1 33 GLN HA 1 48 LEU MD1 . . 4.250 3.204 2.861 3.658 . 0 0 "[ . 1 . 2]" 1
716 1 33 GLN HA 1 48 LEU MD2 . . 4.870 4.151 3.878 4.487 . 0 0 "[ . 1 . 2]" 1
717 1 33 GLN HA 1 48 LEU HG . . 5.500 4.680 4.278 5.021 . 0 0 "[ . 1 . 2]" 1
718 1 33 GLN HB2 1 48 LEU MD1 . . 3.700 2.216 2.013 2.617 . 0 0 "[ . 1 . 2]" 1
719 1 33 GLN HB2 1 48 LEU MD2 . . 3.300 2.133 1.955 2.521 . 0 0 "[ . 1 . 2]" 1
720 1 33 GLN HB3 1 33 GLN QE . . 4.170 3.345 1.973 4.067 . 0 0 "[ . 1 . 2]" 1
721 1 33 GLN HB3 1 35 LEU MD2 . . 4.130 3.403 2.918 3.760 . 0 0 "[ . 1 . 2]" 1
722 1 33 GLN HB3 1 46 ARG H . . 4.080 3.373 3.165 3.626 . 0 0 "[ . 1 . 2]" 1
723 1 33 GLN HB3 1 46 ARG QD . . 4.240 3.898 3.382 4.230 . 0 0 "[ . 1 . 2]" 1
724 1 33 GLN HB3 1 46 ARG HG2 . . 3.920 2.672 2.442 2.991 . 0 0 "[ . 1 . 2]" 1
725 1 33 GLN HB3 1 46 ARG HG3 . . 3.900 3.555 3.044 3.886 . 0 0 "[ . 1 . 2]" 1
726 1 33 GLN HB3 1 48 LEU MD1 . . 4.280 3.424 3.011 3.962 . 0 0 "[ . 1 . 2]" 1
727 1 33 GLN HB3 1 48 LEU MD2 . . 3.930 2.441 2.076 3.075 . 0 0 "[ . 1 . 2]" 1
728 1 33 GLN HE21 1 35 LEU MD2 . . 4.330 3.070 1.822 4.214 . 0 0 "[ . 1 . 2]" 1
729 1 33 GLN HE22 1 35 LEU MD2 . . 4.330 3.399 2.418 4.189 . 0 0 "[ . 1 . 2]" 1
730 1 33 GLN QG 1 34 VAL H . . 3.550 2.922 2.776 2.994 . 0 0 "[ . 1 . 2]" 1
731 1 33 GLN QG 1 35 LEU MD2 . . 3.380 2.852 2.480 3.381 0.001 20 0 "[ . 1 . 2]" 1
732 1 33 GLN HG2 1 34 VAL H . . 4.360 3.171 2.883 3.536 . 0 0 "[ . 1 . 2]" 1
733 1 33 GLN HG2 1 48 LEU MD1 . . 5.340 4.731 3.872 5.160 . 0 0 "[ . 1 . 2]" 1
734 1 33 GLN HG2 1 48 LEU MD2 . . 5.500 4.285 3.993 4.706 . 0 0 "[ . 1 . 2]" 1
735 1 33 GLN HG3 1 34 VAL H . . 4.360 3.532 3.204 4.289 . 0 0 "[ . 1 . 2]" 1
736 1 33 GLN HG3 1 48 LEU MD1 . . 5.340 4.002 3.336 4.368 . 0 0 "[ . 1 . 2]" 1
737 1 33 GLN HG3 1 48 LEU MD2 . . 5.500 3.907 3.213 4.155 . 0 0 "[ . 1 . 2]" 1
738 1 34 VAL H 1 34 VAL HB . . 3.090 2.459 2.382 2.528 . 0 0 "[ . 1 . 2]" 1
739 1 34 VAL H 1 34 VAL MG1 . . 4.330 3.758 3.732 3.786 . 0 0 "[ . 1 . 2]" 1
740 1 34 VAL H 1 34 VAL MG2 . . 3.420 2.354 2.156 2.533 . 0 0 "[ . 1 . 2]" 1
741 1 34 VAL H 1 45 ALA MB . . 4.530 3.639 3.423 3.963 . 0 0 "[ . 1 . 2]" 1
742 1 34 VAL HA 1 34 VAL MG1 . . 3.310 2.390 2.285 2.477 . 0 0 "[ . 1 . 2]" 1
743 1 34 VAL HA 1 34 VAL MG2 . . 3.240 2.301 2.181 2.439 . 0 0 "[ . 1 . 2]" 1
744 1 34 VAL HA 1 35 LEU H . . 2.840 2.145 2.140 2.160 . 0 0 "[ . 1 . 2]" 1
745 1 34 VAL HA 1 35 LEU MD1 . . 5.410 4.739 4.578 4.998 . 0 0 "[ . 1 . 2]" 1
746 1 34 VAL HA 1 35 LEU MD2 . . 5.500 4.605 4.315 4.915 . 0 0 "[ . 1 . 2]" 1
747 1 34 VAL HA 1 35 LEU HG . . 4.350 3.597 3.400 3.871 . 0 0 "[ . 1 . 2]" 1
748 1 34 VAL HA 1 36 ASP H . . 4.280 4.220 4.085 4.280 . 0 0 "[ . 1 . 2]" 1
749 1 34 VAL HA 1 37 THR MG . . 4.720 4.557 4.379 4.693 . 0 0 "[ . 1 . 2]" 1
750 1 34 VAL HA 1 45 ALA HA . . 3.070 2.657 2.486 2.824 . 0 0 "[ . 1 . 2]" 1
751 1 34 VAL HA 1 45 ALA MB . . 3.400 2.181 2.027 2.390 . 0 0 "[ . 1 . 2]" 1
752 1 34 VAL HA 1 46 ARG H . . 4.510 4.320 4.128 4.493 . 0 0 "[ . 1 . 2]" 1
753 1 34 VAL HB 1 35 LEU H . . 4.550 4.287 4.179 4.393 . 0 0 "[ . 1 . 2]" 1
754 1 34 VAL HB 1 37 THR MG . . 4.360 3.568 3.316 3.719 . 0 0 "[ . 1 . 2]" 1
755 1 34 VAL HB 1 43 TRP HE3 . . 5.200 4.627 4.488 4.801 . 0 0 "[ . 1 . 2]" 1
756 1 34 VAL HB 1 43 TRP HZ3 . . 5.500 5.436 5.295 5.500 . 0 0 "[ . 1 . 2]" 1
757 1 34 VAL MG1 1 35 LEU H . . 3.590 2.693 2.436 3.120 . 0 0 "[ . 1 . 2]" 1
758 1 34 VAL MG1 1 36 ASP H . . 3.540 3.226 2.948 3.477 . 0 0 "[ . 1 . 2]" 1
759 1 34 VAL MG1 1 37 THR HA . . 4.440 3.568 3.456 3.686 . 0 0 "[ . 1 . 2]" 1
760 1 34 VAL MG1 1 37 THR HB . . 4.620 3.982 3.843 4.064 . 0 0 "[ . 1 . 2]" 1
761 1 34 VAL MG1 1 37 THR MG . . 2.800 1.746 1.692 1.808 . 0 0 "[ . 1 . 2]" 1
762 1 34 VAL MG1 1 43 TRP HA . . 4.350 4.107 3.949 4.263 . 0 0 "[ . 1 . 2]" 1
763 1 34 VAL MG1 1 43 TRP HB2 . . 3.490 3.301 2.977 3.486 . 0 0 "[ . 1 . 2]" 1
764 1 34 VAL MG1 1 43 TRP HB3 . . 3.410 2.161 1.976 2.394 . 0 0 "[ . 1 . 2]" 1
765 1 34 VAL MG1 1 43 TRP HD1 . . 5.220 4.443 4.187 4.632 . 0 0 "[ . 1 . 2]" 1
766 1 34 VAL MG1 1 43 TRP HE3 . . 3.230 2.927 2.631 3.190 . 0 0 "[ . 1 . 2]" 1
767 1 34 VAL MG1 1 43 TRP HH2 . . 5.500 5.225 4.925 5.413 . 0 0 "[ . 1 . 2]" 1
768 1 34 VAL MG1 1 43 TRP HZ3 . . 4.370 4.206 4.018 4.365 . 0 0 "[ . 1 . 2]" 1
769 1 34 VAL MG1 1 44 LEU H . . 4.270 3.583 3.375 3.786 . 0 0 "[ . 1 . 2]" 1
770 1 34 VAL MG1 1 45 ALA HA . . 4.990 4.229 3.979 4.480 . 0 0 "[ . 1 . 2]" 1
771 1 34 VAL MG2 1 35 LEU H . . 4.150 4.007 3.835 4.151 0.001 20 0 "[ . 1 . 2]" 1
772 1 34 VAL MG2 1 37 THR MG . . 3.990 3.458 3.258 3.563 . 0 0 "[ . 1 . 2]" 1
773 1 34 VAL MG2 1 43 TRP HB2 . . 4.730 3.357 3.067 3.687 . 0 0 "[ . 1 . 2]" 1
774 1 34 VAL MG2 1 43 TRP HB3 . . 4.360 3.240 2.885 3.490 . 0 0 "[ . 1 . 2]" 1
775 1 34 VAL MG2 1 43 TRP HE3 . . 3.220 2.132 1.966 2.407 . 0 0 "[ . 1 . 2]" 1
776 1 34 VAL MG2 1 43 TRP HZ3 . . 3.980 3.170 2.948 3.373 . 0 0 "[ . 1 . 2]" 1
777 1 34 VAL MG2 1 45 ALA HA . . 4.560 4.282 4.070 4.412 . 0 0 "[ . 1 . 2]" 1
778 1 34 VAL MG2 1 45 ALA MB . . 3.230 2.614 2.350 2.827 . 0 0 "[ . 1 . 2]" 1
779 1 34 VAL MG2 1 63 ILE HG12 . . 5.460 4.627 4.372 4.837 . 0 0 "[ . 1 . 2]" 1
780 1 35 LEU H 1 35 LEU HB2 . . 3.950 2.665 2.554 2.806 . 0 0 "[ . 1 . 2]" 1
781 1 35 LEU H 1 35 LEU QB . . 3.460 2.606 2.505 2.725 . 0 0 "[ . 1 . 2]" 1
782 1 35 LEU H 1 35 LEU HB3 . . 3.950 3.682 3.621 3.713 . 0 0 "[ . 1 . 2]" 1
783 1 35 LEU H 1 35 LEU MD1 . . 4.020 3.426 3.263 3.681 . 0 0 "[ . 1 . 2]" 1
784 1 35 LEU H 1 35 LEU MD2 . . 4.100 3.634 3.349 3.841 . 0 0 "[ . 1 . 2]" 1
785 1 35 LEU H 1 35 LEU HG . . 3.370 2.311 2.084 2.513 . 0 0 "[ . 1 . 2]" 1
786 1 35 LEU H 1 36 ASP H . . 3.030 2.390 2.295 2.630 . 0 0 "[ . 1 . 2]" 1
787 1 35 LEU H 1 44 LEU HB3 . . 4.820 4.109 3.956 4.360 . 0 0 "[ . 1 . 2]" 1
788 1 35 LEU H 1 45 ALA HA . . 3.340 2.439 2.267 2.512 . 0 0 "[ . 1 . 2]" 1
789 1 35 LEU H 1 45 ALA MB . . 3.440 3.370 3.260 3.435 . 0 0 "[ . 1 . 2]" 1
790 1 35 LEU H 1 46 ARG H . . 4.610 4.568 4.430 4.610 . 0 0 "[ . 1 . 2]" 1
791 1 35 LEU HA 1 35 LEU MD1 . . 4.510 3.986 3.938 4.033 . 0 0 "[ . 1 . 2]" 1
792 1 35 LEU HA 1 35 LEU MD2 . . 2.860 2.464 2.062 2.693 . 0 0 "[ . 1 . 2]" 1
793 1 35 LEU HA 1 35 LEU HG . . 4.030 3.098 3.008 3.234 . 0 0 "[ . 1 . 2]" 1
794 1 35 LEU QB 1 35 LEU MD1 . . 2.830 2.036 1.940 2.100 . 0 0 "[ . 1 . 2]" 1
795 1 35 LEU QB 1 35 LEU MD2 . . 3.050 2.117 2.000 2.299 . 0 0 "[ . 1 . 2]" 1
796 1 35 LEU QB 1 36 ASP H . . 3.490 2.203 2.112 2.317 . 0 0 "[ . 1 . 2]" 1
797 1 35 LEU QB 1 44 LEU MD2 . . 3.680 2.842 2.509 3.144 . 0 0 "[ . 1 . 2]" 1
798 1 35 LEU QB 1 44 LEU HG . . 4.090 2.960 2.734 3.326 . 0 0 "[ . 1 . 2]" 1
799 1 35 LEU QB 1 45 ALA HA . . 4.840 3.735 3.592 3.955 . 0 0 "[ . 1 . 2]" 1
800 1 35 LEU HB2 1 35 LEU MD1 . . 3.410 2.134 1.995 2.274 . 0 0 "[ . 1 . 2]" 1
801 1 35 LEU HB2 1 35 LEU MD2 . . 3.520 3.148 3.120 3.183 . 0 0 "[ . 1 . 2]" 1
802 1 35 LEU HB2 1 36 ASP H . . 4.320 2.226 2.135 2.345 . 0 0 "[ . 1 . 2]" 1
803 1 35 LEU HB3 1 35 LEU MD1 . . 3.410 2.589 2.469 2.671 . 0 0 "[ . 1 . 2]" 1
804 1 35 LEU HB3 1 35 LEU MD2 . . 3.520 2.152 2.024 2.358 . 0 0 "[ . 1 . 2]" 1
805 1 35 LEU HB3 1 36 ASP H . . 4.320 3.539 3.362 3.696 . 0 0 "[ . 1 . 2]" 1
806 1 35 LEU MD1 1 36 ASP H . . 4.280 3.792 3.557 4.033 . 0 0 "[ . 1 . 2]" 1
807 1 35 LEU MD1 1 36 ASP HB2 . . 4.890 4.586 4.364 4.835 . 0 0 "[ . 1 . 2]" 1
808 1 35 LEU MD1 1 44 LEU HB3 . . 4.250 3.853 3.655 4.092 . 0 0 "[ . 1 . 2]" 1
809 1 35 LEU MD1 1 44 LEU HG . . 3.490 2.156 1.980 2.431 . 0 0 "[ . 1 . 2]" 1
810 1 35 LEU MD1 1 45 ALA HA . . 3.940 2.914 2.533 3.257 . 0 0 "[ . 1 . 2]" 1
811 1 35 LEU MD1 1 46 ARG H . . 4.190 3.305 2.992 3.563 . 0 0 "[ . 1 . 2]" 1
812 1 35 LEU MD1 1 46 ARG HB2 . . 3.810 3.685 3.534 3.812 0.002 18 0 "[ . 1 . 2]" 1
813 1 35 LEU MD1 1 46 ARG QB . . 3.340 2.105 1.966 2.317 . 0 0 "[ . 1 . 2]" 1
814 1 35 LEU MD1 1 46 ARG HB3 . . 3.810 2.117 1.975 2.337 . 0 0 "[ . 1 . 2]" 1
815 1 35 LEU MD1 1 46 ARG QD . . 3.610 2.786 2.386 3.610 . 0 0 "[ . 1 . 2]" 1
816 1 35 LEU MD1 1 46 ARG HG2 . . 3.690 3.097 2.560 3.552 . 0 0 "[ . 1 . 2]" 1
817 1 35 LEU MD1 1 46 ARG HG3 . . 4.900 4.271 3.942 4.479 . 0 0 "[ . 1 . 2]" 1
818 1 35 LEU MD1 1 60 GLN HB2 . . 4.740 3.550 2.580 4.730 . 0 0 "[ . 1 . 2]" 1
819 1 35 LEU MD1 1 60 GLN QB . . 4.060 3.083 2.472 3.761 . 0 0 "[ . 1 . 2]" 1
820 1 35 LEU MD1 1 60 GLN HB3 . . 4.740 3.612 3.168 3.949 . 0 0 "[ . 1 . 2]" 1
821 1 35 LEU MD1 1 60 GLN HE21 . . 4.360 2.843 1.938 3.722 . 0 0 "[ . 1 . 2]" 1
822 1 35 LEU MD1 1 60 GLN QE . . 3.780 2.468 1.873 3.220 . 0 0 "[ . 1 . 2]" 1
823 1 35 LEU MD1 1 60 GLN HE22 . . 4.360 2.827 2.140 4.130 . 0 0 "[ . 1 . 2]" 1
824 1 35 LEU MD1 1 60 GLN QG . . 3.760 3.150 2.205 3.760 . 0 0 "[ . 1 . 2]" 1
825 1 35 LEU MD1 1 61 GLY H . . 5.090 4.737 4.355 5.088 . 0 0 "[ . 1 . 2]" 1
826 1 35 LEU MD2 1 45 ALA HA . . 4.680 3.913 3.695 4.252 . 0 0 "[ . 1 . 2]" 1
827 1 35 LEU MD2 1 46 ARG H . . 4.750 3.917 3.650 4.522 . 0 0 "[ . 1 . 2]" 1
828 1 35 LEU MD2 1 46 ARG QB . . 4.100 3.457 3.225 3.848 . 0 0 "[ . 1 . 2]" 1
829 1 35 LEU MD2 1 46 ARG QD . . 3.760 2.502 1.963 3.602 . 0 0 "[ . 1 . 2]" 1
830 1 35 LEU MD2 1 46 ARG HG2 . . 4.140 2.893 2.205 3.341 . 0 0 "[ . 1 . 2]" 1
831 1 35 LEU MD2 1 46 ARG HG3 . . 5.230 4.229 3.545 4.593 . 0 0 "[ . 1 . 2]" 1
832 1 35 LEU HG 1 36 ASP H . . 5.040 3.941 3.700 4.089 . 0 0 "[ . 1 . 2]" 1
833 1 35 LEU HG 1 44 LEU HG . . 4.380 4.132 3.923 4.274 . 0 0 "[ . 1 . 2]" 1
834 1 35 LEU HG 1 45 ALA HA . . 3.590 2.350 2.141 2.665 . 0 0 "[ . 1 . 2]" 1
835 1 35 LEU HG 1 46 ARG H . . 4.280 3.373 3.230 3.681 . 0 0 "[ . 1 . 2]" 1
836 1 36 ASP H 1 36 ASP HB2 . . 3.890 2.625 2.537 2.741 . 0 0 "[ . 1 . 2]" 1
837 1 36 ASP H 1 36 ASP HB3 . . 3.710 2.845 2.777 2.893 . 0 0 "[ . 1 . 2]" 1
838 1 36 ASP H 1 37 THR MG . . 4.560 4.142 3.964 4.402 . 0 0 "[ . 1 . 2]" 1
839 1 36 ASP H 1 44 LEU H . . 3.600 2.880 2.694 3.058 . 0 0 "[ . 1 . 2]" 1
840 1 36 ASP H 1 44 LEU HB3 . . 3.640 2.366 2.232 2.553 . 0 0 "[ . 1 . 2]" 1
841 1 36 ASP H 1 44 LEU MD2 . . 4.610 3.451 3.130 3.671 . 0 0 "[ . 1 . 2]" 1
842 1 36 ASP H 1 44 LEU HG . . 4.160 3.741 3.503 3.937 . 0 0 "[ . 1 . 2]" 1
843 1 36 ASP H 1 45 ALA HA . . 4.760 4.267 4.075 4.370 . 0 0 "[ . 1 . 2]" 1
844 1 36 ASP HB2 1 44 LEU H . . 5.090 3.836 3.507 4.128 . 0 0 "[ . 1 . 2]" 1
845 1 36 ASP HB2 1 44 LEU HA . . 5.500 5.280 5.001 5.469 . 0 0 "[ . 1 . 2]" 1
846 1 36 ASP HB2 1 44 LEU HB2 . . 3.790 3.584 3.292 3.718 . 0 0 "[ . 1 . 2]" 1
847 1 36 ASP HB2 1 44 LEU HB3 . . 3.570 2.284 2.003 2.471 . 0 0 "[ . 1 . 2]" 1
848 1 36 ASP HB2 1 44 LEU MD2 . . 3.900 2.325 2.094 2.533 . 0 0 "[ . 1 . 2]" 1
849 1 36 ASP HB3 1 38 SER H . . 4.920 3.700 3.499 3.868 . 0 0 "[ . 1 . 2]" 1
850 1 36 ASP HB3 1 44 LEU H . . 3.730 2.577 2.213 2.884 . 0 0 "[ . 1 . 2]" 1
851 1 36 ASP HB3 1 44 LEU HB2 . . 3.790 2.978 2.830 3.144 . 0 0 "[ . 1 . 2]" 1
852 1 36 ASP HB3 1 44 LEU HB3 . . 3.500 2.125 2.005 2.282 . 0 0 "[ . 1 . 2]" 1
853 1 36 ASP HB3 1 44 LEU MD2 . . 3.790 3.239 3.015 3.435 . 0 0 "[ . 1 . 2]" 1
854 1 37 THR HA 1 37 THR MG . . 3.100 2.286 2.074 2.436 . 0 0 "[ . 1 . 2]" 1
855 1 37 THR HA 1 43 TRP HA . . 4.040 3.352 3.086 3.498 . 0 0 "[ . 1 . 2]" 1
856 1 37 THR HA 1 43 TRP HB3 . . 4.580 3.609 3.386 3.827 . 0 0 "[ . 1 . 2]" 1
857 1 37 THR HA 1 43 TRP HD1 . . 3.530 2.463 2.188 2.759 . 0 0 "[ . 1 . 2]" 1
858 1 37 THR HA 1 43 TRP HE1 . . 4.200 3.382 3.055 3.845 . 0 0 "[ . 1 . 2]" 1
859 1 37 THR HB 1 43 TRP HD1 . . 4.530 4.257 3.916 4.476 . 0 0 "[ . 1 . 2]" 1
860 1 37 THR HB 1 43 TRP HE1 . . 3.800 3.429 2.767 3.770 . 0 0 "[ . 1 . 2]" 1
861 1 37 THR HB 1 43 TRP HZ2 . . 4.510 4.315 3.885 4.506 . 0 0 "[ . 1 . 2]" 1
862 1 37 THR MG 1 38 SER H . . 5.060 4.343 4.311 4.386 . 0 0 "[ . 1 . 2]" 1
863 1 37 THR MG 1 43 TRP HA . . 4.770 4.244 3.743 4.534 . 0 0 "[ . 1 . 2]" 1
864 1 37 THR MG 1 43 TRP HB2 . . 4.640 4.304 3.940 4.519 . 0 0 "[ . 1 . 2]" 1
865 1 37 THR MG 1 43 TRP HB3 . . 4.220 3.122 2.792 3.407 . 0 0 "[ . 1 . 2]" 1
866 1 37 THR MG 1 43 TRP HD1 . . 4.130 3.806 3.181 3.993 . 0 0 "[ . 1 . 2]" 1
867 1 37 THR MG 1 43 TRP HE1 . . 4.230 3.877 3.258 4.161 . 0 0 "[ . 1 . 2]" 1
868 1 37 THR MG 1 43 TRP HE3 . . 4.370 3.923 3.669 4.165 . 0 0 "[ . 1 . 2]" 1
869 1 37 THR MG 1 43 TRP HH2 . . 4.900 4.682 4.390 4.899 . 0 0 "[ . 1 . 2]" 1
870 1 37 THR MG 1 43 TRP HZ2 . . 4.550 4.197 3.691 4.533 . 0 0 "[ . 1 . 2]" 1
871 1 37 THR MG 1 43 TRP HZ3 . . 5.340 4.595 4.362 4.797 . 0 0 "[ . 1 . 2]" 1
872 1 37 THR MG 1 44 LEU H . . 5.000 4.314 4.115 4.601 . 0 0 "[ . 1 . 2]" 1
873 1 38 SER H 1 38 SER QB . . 3.450 2.308 2.166 2.614 . 0 0 "[ . 1 . 2]" 1
874 1 38 SER H 1 39 HIS H . . 4.360 2.805 2.350 3.251 . 0 0 "[ . 1 . 2]" 1
875 1 38 SER H 1 43 TRP HD1 . . 4.930 4.104 3.366 4.528 . 0 0 "[ . 1 . 2]" 1
876 1 39 HIS QB 1 42 TRP H . . 4.240 3.043 1.929 3.724 . 0 0 "[ . 1 . 2]" 1
877 1 39 HIS HB2 1 42 TRP HB2 . . 4.800 4.239 3.137 4.757 . 0 0 "[ . 1 . 2]" 1
878 1 39 HIS HB3 1 42 TRP HB2 . . 4.800 3.022 2.386 3.446 . 0 0 "[ . 1 . 2]" 1
879 1 39 HIS HE1 1 42 TRP HD1 . . 4.780 3.737 2.579 4.767 . 0 0 "[ . 1 . 2]" 1
880 1 40 GLU H 1 40 GLU QB . . 3.460 2.388 2.153 2.828 . 0 0 "[ . 1 . 2]" 1
881 1 40 GLU H 1 40 GLU QG . . 4.420 3.083 1.836 4.078 . 0 0 "[ . 1 . 2]" 1
882 1 40 GLU HA 1 40 GLU QG . . 3.660 2.769 2.182 3.428 . 0 0 "[ . 1 . 2]" 1
883 1 40 GLU HA 1 41 GLY H . . 3.550 2.466 2.143 3.539 . 0 0 "[ . 1 . 2]" 1
884 1 40 GLU HA 1 42 TRP H . . 4.900 4.504 3.549 4.900 . 18 0 "[ . 1 . 2]" 1
885 1 40 GLU HA 1 43 TRP HE1 . . 4.140 2.972 1.899 3.371 . 0 0 "[ . 1 . 2]" 1
886 1 40 GLU QB 1 41 GLY H . . 4.480 3.511 2.565 4.031 . 0 0 "[ . 1 . 2]" 1
887 1 41 GLY H 1 42 TRP H . . 3.910 2.986 2.063 3.500 . 0 0 "[ . 1 . 2]" 1
888 1 41 GLY QA 1 42 TRP HD1 . . 4.550 3.573 3.386 3.722 . 0 0 "[ . 1 . 2]" 1
889 1 42 TRP H 1 42 TRP HB2 . . 3.550 2.515 2.444 2.658 . 0 0 "[ . 1 . 2]" 1
890 1 42 TRP H 1 42 TRP HB3 . . 4.030 3.692 3.652 3.782 . 0 0 "[ . 1 . 2]" 1
891 1 42 TRP H 1 42 TRP HD1 . . 4.210 2.881 2.521 3.509 . 0 0 "[ . 1 . 2]" 1
892 1 42 TRP H 1 42 TRP HE3 . . 5.500 5.450 5.370 5.503 0.003 20 0 "[ . 1 . 2]" 1
893 1 42 TRP H 1 43 TRP HD1 . . 4.370 4.256 3.931 4.372 0.002 20 0 "[ . 1 . 2]" 1
894 1 42 TRP HA 1 42 TRP HD1 . . 4.990 4.188 4.122 4.285 . 0 0 "[ . 1 . 2]" 1
895 1 42 TRP HA 1 42 TRP HE3 . . 3.800 3.110 2.827 3.266 . 0 0 "[ . 1 . 2]" 1
896 1 42 TRP HA 1 43 TRP H . . 2.850 2.150 2.140 2.181 . 0 0 "[ . 1 . 2]" 1
897 1 42 TRP HA 1 62 TYR QD . . 5.500 4.879 4.336 5.045 . 0 0 "[ . 1 . 2]" 1
898 1 42 TRP HA 1 63 ILE H . . 4.590 3.804 3.468 3.961 . 0 0 "[ . 1 . 2]" 1
899 1 42 TRP HA 1 63 ILE HG13 . . 4.950 4.686 4.485 4.782 . 0 0 "[ . 1 . 2]" 1
900 1 42 TRP HA 1 64 PRO HA . . 3.780 2.888 2.728 3.121 . 0 0 "[ . 1 . 2]" 1
901 1 42 TRP HA 1 65 SER H . . 3.760 3.655 3.377 3.756 . 0 0 "[ . 1 . 2]" 1
902 1 42 TRP HB2 1 43 TRP H . . 4.680 4.270 4.114 4.442 . 0 0 "[ . 1 . 2]" 1
903 1 42 TRP HB3 1 42 TRP HE3 . . 3.690 2.589 2.531 2.704 . 0 0 "[ . 1 . 2]" 1
904 1 42 TRP HB3 1 43 TRP H . . 3.730 3.391 3.113 3.695 . 0 0 "[ . 1 . 2]" 1
905 1 42 TRP HB3 1 62 TYR QD . . 4.600 3.198 2.564 3.430 . 0 0 "[ . 1 . 2]" 1
906 1 42 TRP HB3 1 63 ILE H . . 4.040 3.723 3.446 3.929 . 0 0 "[ . 1 . 2]" 1
907 1 42 TRP HE3 1 43 TRP H . . 4.460 3.962 3.625 4.452 . 0 0 "[ . 1 . 2]" 1
908 1 42 TRP HE3 1 62 TYR HB2 . . 4.520 3.615 3.259 3.947 . 0 0 "[ . 1 . 2]" 1
909 1 42 TRP HE3 1 62 TYR HB3 . . 3.720 2.528 2.206 2.799 . 0 0 "[ . 1 . 2]" 1
910 1 42 TRP HE3 1 63 ILE H . . 4.370 3.185 2.933 3.490 . 0 0 "[ . 1 . 2]" 1
911 1 42 TRP HE3 1 64 PRO HA . . 4.060 3.925 3.714 4.060 . 0 0 "[ . 1 . 2]" 1
912 1 42 TRP HE3 1 64 PRO HB3 . . 4.840 4.614 4.345 4.812 . 0 0 "[ . 1 . 2]" 1
913 1 42 TRP HE3 1 64 PRO QD . . 4.230 3.221 2.947 3.471 . 0 0 "[ . 1 . 2]" 1
914 1 42 TRP HH2 1 64 PRO HB3 . . 5.400 4.187 3.971 4.541 . 0 0 "[ . 1 . 2]" 1
915 1 42 TRP HH2 1 64 PRO QD . . 5.080 3.506 3.255 3.796 . 0 0 "[ . 1 . 2]" 1
916 1 42 TRP HH2 1 64 PRO QG . . 4.510 4.078 3.956 4.233 . 0 0 "[ . 1 . 2]" 1
917 1 42 TRP HZ2 1 64 PRO HB3 . . 5.490 4.644 4.456 4.991 . 0 0 "[ . 1 . 2]" 1
918 1 42 TRP HZ2 1 64 PRO QG . . 5.500 5.443 5.268 5.501 0.001 18 0 "[ . 1 . 2]" 1
919 1 42 TRP HZ3 1 63 ILE HA . . 4.350 2.823 2.541 3.254 . 0 0 "[ . 1 . 2]" 1
920 1 42 TRP HZ3 1 64 PRO HB3 . . 5.120 4.171 3.878 4.395 . 0 0 "[ . 1 . 2]" 1
921 1 42 TRP HZ3 1 64 PRO QD . . 3.660 2.077 1.986 2.306 . 0 0 "[ . 1 . 2]" 1
922 1 42 TRP HZ3 1 64 PRO QG . . 4.240 3.824 3.614 4.095 . 0 0 "[ . 1 . 2]" 1
923 1 43 TRP H 1 43 TRP HB2 . . 3.320 2.543 2.462 2.636 . 0 0 "[ . 1 . 2]" 1
924 1 43 TRP H 1 43 TRP HB3 . . 3.810 3.719 3.665 3.776 . 0 0 "[ . 1 . 2]" 1
925 1 43 TRP H 1 43 TRP HD1 . . 4.500 3.813 3.523 4.079 . 0 0 "[ . 1 . 2]" 1
926 1 43 TRP H 1 43 TRP HE3 . . 5.030 4.862 4.699 5.031 0.001 20 0 "[ . 1 . 2]" 1
927 1 43 TRP H 1 44 LEU H . . 5.150 4.499 4.440 4.547 . 0 0 "[ . 1 . 2]" 1
928 1 43 TRP H 1 44 LEU HA . . 5.500 4.995 4.847 5.132 . 0 0 "[ . 1 . 2]" 1
929 1 43 TRP H 1 62 TYR QD . . 4.790 4.263 3.708 4.573 . 0 0 "[ . 1 . 2]" 1
930 1 43 TRP H 1 63 ILE H . . 3.750 2.659 2.382 2.912 . 0 0 "[ . 1 . 2]" 1
931 1 43 TRP H 1 63 ILE MD . . 4.740 4.643 4.495 4.738 . 0 0 "[ . 1 . 2]" 1
932 1 43 TRP H 1 63 ILE HG12 . . 4.160 3.975 3.788 4.100 . 0 0 "[ . 1 . 2]" 1
933 1 43 TRP H 1 63 ILE HG13 . . 4.010 3.211 3.067 3.337 . 0 0 "[ . 1 . 2]" 1
934 1 43 TRP H 1 64 PRO HA . . 4.570 3.989 3.809 4.190 . 0 0 "[ . 1 . 2]" 1
935 1 43 TRP H 1 65 SER H . . 4.490 4.217 3.717 4.447 . 0 0 "[ . 1 . 2]" 1
936 1 43 TRP H 1 65 SER QB . . 5.180 4.428 4.103 4.674 . 0 0 "[ . 1 . 2]" 1
937 1 43 TRP HA 1 43 TRP HD1 . . 3.190 2.147 2.031 2.208 . 0 0 "[ . 1 . 2]" 1
938 1 43 TRP HA 1 43 TRP HE1 . . 4.940 4.660 4.543 4.721 . 0 0 "[ . 1 . 2]" 1
939 1 43 TRP HA 1 44 LEU H . . 3.050 2.285 2.220 2.320 . 0 0 "[ . 1 . 2]" 1
940 1 43 TRP HA 1 44 LEU HB2 . . 4.860 4.501 4.420 4.583 . 0 0 "[ . 1 . 2]" 1
941 1 43 TRP HA 1 44 LEU HB3 . . 4.950 4.543 4.455 4.647 . 0 0 "[ . 1 . 2]" 1
942 1 43 TRP HA 1 62 TYR QD . . 5.500 3.870 3.632 4.051 . 0 0 "[ . 1 . 2]" 1
943 1 43 TRP HB2 1 43 TRP HE3 . . 3.670 2.657 2.599 2.748 . 0 0 "[ . 1 . 2]" 1
944 1 43 TRP HB2 1 43 TRP HZ3 . . 5.500 5.023 4.977 5.096 . 0 0 "[ . 1 . 2]" 1
945 1 43 TRP HB2 1 44 LEU H . . 4.240 3.905 3.818 4.072 . 0 0 "[ . 1 . 2]" 1
946 1 43 TRP HB2 1 63 ILE H . . 4.590 4.049 3.801 4.187 . 0 0 "[ . 1 . 2]" 1
947 1 43 TRP HB2 1 63 ILE MD . . 3.920 3.734 3.574 3.881 . 0 0 "[ . 1 . 2]" 1
948 1 43 TRP HB2 1 63 ILE HG12 . . 3.930 3.722 3.623 3.833 . 0 0 "[ . 1 . 2]" 1
949 1 43 TRP HB2 1 63 ILE HG13 . . 3.700 3.059 2.784 3.162 . 0 0 "[ . 1 . 2]" 1
950 1 43 TRP HB2 1 65 SER HA . . 4.810 4.563 4.231 4.760 . 0 0 "[ . 1 . 2]" 1
951 1 43 TRP HB3 1 43 TRP HE3 . . 3.770 3.270 3.159 3.347 . 0 0 "[ . 1 . 2]" 1
952 1 43 TRP HB3 1 44 LEU H . . 3.680 2.747 2.645 2.952 . 0 0 "[ . 1 . 2]" 1
953 1 43 TRP HB3 1 44 LEU HA . . 4.970 4.681 4.588 4.764 . 0 0 "[ . 1 . 2]" 1
954 1 43 TRP HB3 1 63 ILE HG12 . . 4.910 4.708 4.501 4.910 . 0 0 "[ . 1 . 2]" 1
955 1 43 TRP HB3 1 63 ILE HG13 . . 4.670 4.563 4.146 4.671 0.001 18 0 "[ . 1 . 2]" 1
956 1 43 TRP HD1 1 44 LEU H . . 4.380 4.157 3.952 4.320 . 0 0 "[ . 1 . 2]" 1
957 1 43 TRP HE1 1 65 SER QB . . 4.480 4.165 3.877 4.400 . 0 0 "[ . 1 . 2]" 1
958 1 43 TRP HE3 1 45 ALA MB . . 5.190 4.732 4.528 4.917 . 0 0 "[ . 1 . 2]" 1
959 1 43 TRP HE3 1 63 ILE MD . . 4.290 4.069 3.786 4.174 . 0 0 "[ . 1 . 2]" 1
960 1 43 TRP HE3 1 63 ILE HG12 . . 5.500 5.454 5.326 5.499 . 0 0 "[ . 1 . 2]" 1
961 1 43 TRP HE3 1 63 ILE HG13 . . 4.970 4.485 4.315 4.624 . 0 0 "[ . 1 . 2]" 1
962 1 43 TRP HE3 1 65 SER HA . . 4.520 3.655 3.342 3.964 . 0 0 "[ . 1 . 2]" 1
963 1 43 TRP HE3 1 65 SER QB . . 5.200 3.259 2.870 3.614 . 0 0 "[ . 1 . 2]" 1
964 1 43 TRP HE3 1 68 VAL MG2 . . 3.650 3.288 2.951 3.469 . 0 0 "[ . 1 . 2]" 1
965 1 43 TRP HH2 1 65 SER HB2 . . 5.250 3.247 2.566 4.223 . 0 0 "[ . 1 . 2]" 1
966 1 43 TRP HH2 1 65 SER QB . . 4.610 3.124 2.503 4.024 . 0 0 "[ . 1 . 2]" 1
967 1 43 TRP HH2 1 65 SER HB3 . . 5.250 4.088 3.477 5.061 . 0 0 "[ . 1 . 2]" 1
968 1 43 TRP HH2 1 68 VAL MG2 . . 5.060 4.794 4.533 5.037 . 0 0 "[ . 1 . 2]" 1
969 1 43 TRP HZ2 1 65 SER QB . . 4.400 3.513 3.221 3.970 . 0 0 "[ . 1 . 2]" 1
970 1 43 TRP HZ3 1 65 SER HA . . 5.140 3.862 3.546 4.238 . 0 0 "[ . 1 . 2]" 1
971 1 43 TRP HZ3 1 65 SER QB . . 5.140 3.064 2.536 3.873 . 0 0 "[ . 1 . 2]" 1
972 1 43 TRP HZ3 1 68 VAL MG2 . . 3.260 3.117 2.784 3.251 . 0 0 "[ . 1 . 2]" 1
973 1 44 LEU H 1 44 LEU HB2 . . 3.510 2.887 2.747 2.999 . 0 0 "[ . 1 . 2]" 1
974 1 44 LEU H 1 44 LEU HB3 . . 3.370 2.401 2.338 2.462 . 0 0 "[ . 1 . 2]" 1
975 1 44 LEU H 1 44 LEU MD1 . . 4.560 4.300 4.216 4.384 . 0 0 "[ . 1 . 2]" 1
976 1 44 LEU H 1 44 LEU MD2 . . 4.630 4.239 4.148 4.327 . 0 0 "[ . 1 . 2]" 1
977 1 44 LEU H 1 44 LEU HG . . 4.630 4.359 4.278 4.428 . 0 0 "[ . 1 . 2]" 1
978 1 44 LEU H 1 62 TYR QE . . 4.750 4.482 4.101 4.732 . 0 0 "[ . 1 . 2]" 1
979 1 44 LEU HA 1 44 LEU MD1 . . 3.070 2.274 2.060 2.540 . 0 0 "[ . 1 . 2]" 1
980 1 44 LEU HA 1 44 LEU MD2 . . 4.300 3.950 3.923 3.989 . 0 0 "[ . 1 . 2]" 1
981 1 44 LEU HA 1 44 LEU HG . . 4.160 3.121 3.052 3.222 . 0 0 "[ . 1 . 2]" 1
982 1 44 LEU HA 1 45 ALA H . . 2.880 2.188 2.169 2.212 . 0 0 "[ . 1 . 2]" 1
983 1 44 LEU HA 1 61 GLY H . . 4.730 4.054 3.753 4.314 . 0 0 "[ . 1 . 2]" 1
984 1 44 LEU HA 1 62 TYR H . . 5.500 4.617 4.485 4.839 . 0 0 "[ . 1 . 2]" 1
985 1 44 LEU HA 1 62 TYR HA . . 3.240 2.723 2.597 2.870 . 0 0 "[ . 1 . 2]" 1
986 1 44 LEU HA 1 62 TYR HB3 . . 5.500 5.105 4.910 5.275 . 0 0 "[ . 1 . 2]" 1
987 1 44 LEU HA 1 62 TYR QD . . 4.400 3.367 3.072 3.683 . 0 0 "[ . 1 . 2]" 1
988 1 44 LEU HA 1 62 TYR QE . . 4.690 4.507 4.256 4.629 . 0 0 "[ . 1 . 2]" 1
989 1 44 LEU HA 1 63 ILE H . . 4.090 3.766 3.573 3.959 . 0 0 "[ . 1 . 2]" 1
990 1 44 LEU HB2 1 44 LEU MD1 . . 3.450 2.243 2.101 2.352 . 0 0 "[ . 1 . 2]" 1
991 1 44 LEU HB2 1 44 LEU MD2 . . 3.320 2.505 2.383 2.591 . 0 0 "[ . 1 . 2]" 1
992 1 44 LEU HB2 1 45 ALA H . . 4.660 4.436 4.363 4.478 . 0 0 "[ . 1 . 2]" 1
993 1 44 LEU HB2 1 62 TYR QE . . 3.850 2.874 2.452 3.055 . 0 0 "[ . 1 . 2]" 1
994 1 44 LEU HB3 1 44 LEU MD2 . . 3.240 2.193 2.094 2.330 . 0 0 "[ . 1 . 2]" 1
995 1 44 LEU HB3 1 45 ALA H . . 4.650 4.467 4.436 4.497 . 0 0 "[ . 1 . 2]" 1
996 1 44 LEU HB3 1 62 TYR QE . . 4.650 4.259 3.813 4.499 . 0 0 "[ . 1 . 2]" 1
997 1 44 LEU MD1 1 45 ALA H . . 3.620 3.303 3.036 3.527 . 0 0 "[ . 1 . 2]" 1
998 1 44 LEU MD1 1 45 ALA HA . . 5.500 4.669 4.414 4.815 . 0 0 "[ . 1 . 2]" 1
999 1 44 LEU MD1 1 60 GLN HB2 . . 4.560 3.465 2.883 4.149 . 0 0 "[ . 1 . 2]" 1
1000 1 44 LEU MD1 1 60 GLN QB . . 3.850 2.819 2.214 3.212 . 0 0 "[ . 1 . 2]" 1
1001 1 44 LEU MD1 1 60 GLN HB3 . . 4.560 3.685 2.229 4.555 . 0 0 "[ . 1 . 2]" 1
1002 1 44 LEU MD1 1 60 GLN HE21 . . 4.400 2.702 2.089 3.099 . 0 0 "[ . 1 . 2]" 1
1003 1 44 LEU MD1 1 60 GLN QE . . 3.800 2.618 1.973 3.037 . 0 0 "[ . 1 . 2]" 1
1004 1 44 LEU MD1 1 60 GLN HE22 . . 4.400 3.942 2.007 4.390 . 0 0 "[ . 1 . 2]" 1
1005 1 44 LEU MD1 1 60 GLN QG . . 3.550 2.982 2.312 3.545 . 0 0 "[ . 1 . 2]" 1
1006 1 44 LEU MD1 1 61 GLY H . . 3.650 2.852 2.247 3.384 . 0 0 "[ . 1 . 2]" 1
1007 1 44 LEU MD1 1 61 GLY HA2 . . 3.630 2.474 2.207 2.910 . 0 0 "[ . 1 . 2]" 1
1008 1 44 LEU MD1 1 61 GLY HA3 . . 4.050 3.674 3.505 4.035 . 0 0 "[ . 1 . 2]" 1
1009 1 44 LEU MD1 1 62 TYR H . . 4.290 3.728 3.487 4.036 . 0 0 "[ . 1 . 2]" 1
1010 1 44 LEU MD1 1 62 TYR HA . . 3.950 3.494 3.199 3.731 . 0 0 "[ . 1 . 2]" 1
1011 1 44 LEU MD1 1 62 TYR QD . . 4.300 3.653 3.427 3.866 . 0 0 "[ . 1 . 2]" 1
1012 1 44 LEU MD1 1 62 TYR QE . . 3.840 3.691 3.438 3.838 . 0 0 "[ . 1 . 2]" 1
1013 1 44 LEU MD2 1 45 ALA H . . 5.170 5.044 4.964 5.105 . 0 0 "[ . 1 . 2]" 1
1014 1 44 LEU MD2 1 60 GLN HE21 . . 4.390 2.611 2.205 3.073 . 0 0 "[ . 1 . 2]" 1
1015 1 44 LEU MD2 1 60 GLN QE . . 3.790 2.467 2.043 2.859 . 0 0 "[ . 1 . 2]" 1
1016 1 44 LEU MD2 1 60 GLN HE22 . . 4.390 3.153 2.241 3.808 . 0 0 "[ . 1 . 2]" 1
1017 1 44 LEU MD2 1 60 GLN QG . . 4.410 4.058 3.664 4.408 . 0 0 "[ . 1 . 2]" 1
1018 1 44 LEU MD2 1 62 TYR QE . . 4.550 4.013 3.632 4.321 . 0 0 "[ . 1 . 2]" 1
1019 1 44 LEU HG 1 45 ALA H . . 4.200 3.755 3.620 3.889 . 0 0 "[ . 1 . 2]" 1
1020 1 44 LEU HG 1 45 ALA HA . . 4.940 3.948 3.810 4.054 . 0 0 "[ . 1 . 2]" 1
1021 1 44 LEU HG 1 60 GLN QB . . 4.390 3.687 3.255 4.037 . 0 0 "[ . 1 . 2]" 1
1022 1 44 LEU HG 1 60 GLN QG . . 4.640 3.933 3.609 4.581 . 0 0 "[ . 1 . 2]" 1
1023 1 44 LEU HG 1 61 GLY H . . 5.000 4.471 3.972 5.000 . 0 0 "[ . 1 . 2]" 1
1024 1 45 ALA H 1 45 ALA MB . . 3.210 2.401 2.304 2.469 . 0 0 "[ . 1 . 2]" 1
1025 1 45 ALA H 1 46 ARG H . . 4.710 4.497 4.454 4.510 . 0 0 "[ . 1 . 2]" 1
1026 1 45 ALA H 1 60 GLN HA . . 4.950 4.746 4.590 4.885 . 0 0 "[ . 1 . 2]" 1
1027 1 45 ALA H 1 61 GLY H . . 3.700 3.304 3.112 3.431 . 0 0 "[ . 1 . 2]" 1
1028 1 45 ALA H 1 62 TYR HA . . 4.040 3.909 3.804 4.008 . 0 0 "[ . 1 . 2]" 1
1029 1 45 ALA HA 1 46 ARG H . . 2.990 2.444 2.369 2.569 . 0 0 "[ . 1 . 2]" 1
1030 1 45 ALA HA 1 46 ARG HG2 . . 4.700 4.194 3.827 4.383 . 0 0 "[ . 1 . 2]" 1
1031 1 45 ALA HA 1 63 ILE MD . . 5.500 4.638 4.379 5.079 . 0 0 "[ . 1 . 2]" 1
1032 1 45 ALA MB 1 46 ARG H . . 3.060 2.386 2.070 2.566 . 0 0 "[ . 1 . 2]" 1
1033 1 45 ALA MB 1 46 ARG HA . . 4.420 3.962 3.903 4.046 . 0 0 "[ . 1 . 2]" 1
1034 1 45 ALA MB 1 61 GLY H . . 5.160 4.333 4.165 4.611 . 0 0 "[ . 1 . 2]" 1
1035 1 45 ALA MB 1 63 ILE H . . 4.820 4.712 4.583 4.804 . 0 0 "[ . 1 . 2]" 1
1036 1 45 ALA MB 1 63 ILE MD . . 2.950 2.089 1.884 2.472 . 0 0 "[ . 1 . 2]" 1
1037 1 46 ARG H 1 46 ARG HB2 . . 4.100 3.836 3.792 3.897 . 0 0 "[ . 1 . 2]" 1
1038 1 46 ARG H 1 46 ARG QB . . 3.560 2.917 2.799 3.117 . 0 0 "[ . 1 . 2]" 1
1039 1 46 ARG H 1 46 ARG HB3 . . 4.100 3.024 2.880 3.280 . 0 0 "[ . 1 . 2]" 1
1040 1 46 ARG H 1 46 ARG QD . . 5.010 4.099 3.749 4.455 . 0 0 "[ . 1 . 2]" 1
1041 1 46 ARG H 1 46 ARG HG2 . . 3.710 2.396 2.214 2.635 . 0 0 "[ . 1 . 2]" 1
1042 1 46 ARG H 1 46 ARG HG3 . . 4.020 3.381 2.959 3.683 . 0 0 "[ . 1 . 2]" 1
1043 1 46 ARG HA 1 46 ARG QD . . 4.520 4.343 4.236 4.520 . 0 0 "[ . 1 . 2]" 1
1044 1 46 ARG HA 1 46 ARG HG2 . . 3.900 3.778 3.657 3.903 0.003 18 0 "[ . 1 . 2]" 1
1045 1 46 ARG HA 1 46 ARG HG3 . . 4.110 3.713 3.626 3.852 . 0 0 "[ . 1 . 2]" 1
1046 1 46 ARG HA 1 47 HIS H . . 2.880 2.276 2.173 2.374 . 0 0 "[ . 1 . 2]" 1
1047 1 46 ARG HA 1 60 GLN H . . 4.740 4.429 4.286 4.731 . 0 0 "[ . 1 . 2]" 1
1048 1 46 ARG HA 1 60 GLN HA . . 3.100 2.169 2.000 2.442 . 0 0 "[ . 1 . 2]" 1
1049 1 46 ARG HA 1 60 GLN HB2 . . 4.780 3.425 2.280 4.730 . 0 0 "[ . 1 . 2]" 1
1050 1 46 ARG HA 1 60 GLN HB3 . . 4.780 3.233 2.278 4.648 . 0 0 "[ . 1 . 2]" 1
1051 1 46 ARG HA 1 60 GLN QG . . 4.430 3.505 2.251 4.395 . 0 0 "[ . 1 . 2]" 1
1052 1 46 ARG HA 1 61 GLY H . . 4.010 3.791 3.605 4.003 . 0 0 "[ . 1 . 2]" 1
1053 1 46 ARG QB 1 47 HIS H . . 3.620 2.763 2.514 3.068 . 0 0 "[ . 1 . 2]" 1
1054 1 46 ARG QB 1 60 GLN HA . . 3.620 3.414 3.204 3.575 . 0 0 "[ . 1 . 2]" 1
1055 1 46 ARG HB2 1 46 ARG QD . . 3.340 2.549 2.221 2.905 . 0 0 "[ . 1 . 2]" 1
1056 1 46 ARG HB2 1 60 GLN HA . . 4.370 3.863 3.631 4.073 . 0 0 "[ . 1 . 2]" 1
1057 1 46 ARG HB2 1 60 GLN QG . . 4.270 3.369 2.087 4.268 . 0 0 "[ . 1 . 2]" 1
1058 1 46 ARG HB3 1 46 ARG QD . . 3.340 2.402 2.183 2.904 . 0 0 "[ . 1 . 2]" 1
1059 1 46 ARG HB3 1 60 GLN HA . . 4.370 3.814 3.491 4.019 . 0 0 "[ . 1 . 2]" 1
1060 1 46 ARG HB3 1 60 GLN QG . . 4.270 3.099 1.812 4.146 . 0 0 "[ . 1 . 2]" 1
1061 1 46 ARG QD 1 47 HIS H . . 5.500 4.893 4.186 5.455 . 0 0 "[ . 1 . 2]" 1
1062 1 46 ARG QD 1 60 GLN QG . . 5.040 4.302 3.161 5.040 . 0 0 "[ . 1 . 2]" 1
1063 1 46 ARG HG3 1 47 HIS H . . 4.310 3.734 3.435 4.242 . 0 0 "[ . 1 . 2]" 1
1064 1 46 ARG HG3 1 47 HIS HA . . 5.150 4.556 4.333 4.917 . 0 0 "[ . 1 . 2]" 1
1065 1 47 HIS H 1 47 HIS HB2 . . 3.080 2.192 2.177 2.226 . 0 0 "[ . 1 . 2]" 1
1066 1 47 HIS H 1 47 HIS HB3 . . 3.610 3.498 3.485 3.521 . 0 0 "[ . 1 . 2]" 1
1067 1 47 HIS H 1 47 HIS HD2 . . 4.150 3.433 3.157 3.700 . 0 0 "[ . 1 . 2]" 1
1068 1 47 HIS H 1 48 LEU H . . 4.820 4.540 4.441 4.586 . 0 0 "[ . 1 . 2]" 1
1069 1 47 HIS H 1 59 LEU HA . . 4.790 3.628 3.178 4.068 . 0 0 "[ . 1 . 2]" 1
1070 1 47 HIS H 1 59 LEU QB . . 3.710 3.053 2.707 3.542 . 0 0 "[ . 1 . 2]" 1
1071 1 47 HIS H 1 60 GLN HA . . 4.100 3.581 3.283 3.971 . 0 0 "[ . 1 . 2]" 1
1072 1 47 HIS HA 1 48 LEU H . . 2.830 2.156 2.141 2.177 . 0 0 "[ . 1 . 2]" 1
1073 1 47 HIS HA 1 48 LEU HB2 . . 5.500 4.584 4.468 4.725 . 0 0 "[ . 1 . 2]" 1
1074 1 47 HIS HA 1 48 LEU HG . . 4.020 3.835 3.584 3.999 . 0 0 "[ . 1 . 2]" 1
1075 1 47 HIS HB2 1 48 LEU H . . 4.620 4.393 4.321 4.512 . 0 0 "[ . 1 . 2]" 1
1076 1 47 HIS HB2 1 59 LEU HA . . 4.570 3.004 2.403 3.509 . 0 0 "[ . 1 . 2]" 1
1077 1 47 HIS HB2 1 59 LEU HB2 . . 4.470 2.842 2.612 2.999 . 0 0 "[ . 1 . 2]" 1
1078 1 47 HIS HB2 1 59 LEU HB3 . . 4.470 3.916 3.383 4.464 . 0 0 "[ . 1 . 2]" 1
1079 1 47 HIS HB2 1 59 LEU QD . . 4.460 4.019 2.951 4.327 . 0 0 "[ . 1 . 2]" 1
1080 1 47 HIS HB3 1 48 LEU H . . 3.730 3.377 3.228 3.650 . 0 0 "[ . 1 . 2]" 1
1081 1 47 HIS HB3 1 49 GLU H . . 4.050 3.764 3.583 3.991 . 0 0 "[ . 1 . 2]" 1
1082 1 47 HIS HB3 1 59 LEU QB . . 4.290 4.194 3.971 4.290 . 0 0 "[ . 1 . 2]" 1
1083 1 47 HIS HB3 1 59 LEU QD . . 5.440 5.108 4.231 5.418 . 0 0 "[ . 1 . 2]" 1
1084 1 47 HIS HD2 1 59 LEU HA . . 4.190 2.303 2.043 2.685 . 0 0 "[ . 1 . 2]" 1
1085 1 47 HIS HD2 1 59 LEU HB2 . . 4.760 4.071 3.684 4.414 . 0 0 "[ . 1 . 2]" 1
1086 1 47 HIS HD2 1 59 LEU HB3 . . 4.760 4.515 4.245 4.754 . 0 0 "[ . 1 . 2]" 1
1087 1 47 HIS HE1 1 49 GLU HB2 . . 5.500 5.463 5.368 5.501 0.001 5 0 "[ . 1 . 2]" 1
1088 1 48 LEU H 1 48 LEU HB2 . . 3.160 2.488 2.390 2.631 . 0 0 "[ . 1 . 2]" 1
1089 1 48 LEU H 1 48 LEU HB3 . . 3.720 3.651 3.612 3.717 . 0 0 "[ . 1 . 2]" 1
1090 1 48 LEU H 1 48 LEU MD1 . . 3.980 3.643 3.299 3.821 . 0 0 "[ . 1 . 2]" 1
1091 1 48 LEU H 1 48 LEU MD2 . . 4.360 3.754 3.536 3.978 . 0 0 "[ . 1 . 2]" 1
1092 1 48 LEU H 1 48 LEU HG . . 3.060 2.616 2.294 2.918 . 0 0 "[ . 1 . 2]" 1
1093 1 48 LEU H 1 49 GLU H . . 3.430 2.216 2.026 2.371 . 0 0 "[ . 1 . 2]" 1
1094 1 48 LEU HA 1 48 LEU MD1 . . 4.020 3.914 3.868 3.975 . 0 0 "[ . 1 . 2]" 1
1095 1 48 LEU HA 1 48 LEU MD2 . . 3.030 2.183 1.997 2.440 . 0 0 "[ . 1 . 2]" 1
1096 1 48 LEU HA 1 48 LEU HG . . 3.980 3.019 2.906 3.185 . 0 0 "[ . 1 . 2]" 1
1097 1 48 LEU HB2 1 48 LEU MD1 . . 3.270 2.196 2.039 2.344 . 0 0 "[ . 1 . 2]" 1
1098 1 48 LEU HB2 1 49 GLU H . . 4.670 2.660 2.544 2.823 . 0 0 "[ . 1 . 2]" 1
1099 1 48 LEU HB2 1 49 GLU QG . . 4.800 3.875 3.524 4.619 . 0 0 "[ . 1 . 2]" 1
1100 1 48 LEU HB3 1 48 LEU MD1 . . 3.630 2.472 2.306 2.658 . 0 0 "[ . 1 . 2]" 1
1101 1 48 LEU HB3 1 48 LEU MD2 . . 3.170 2.266 2.137 2.369 . 0 0 "[ . 1 . 2]" 1
1102 1 48 LEU HB3 1 49 GLU H . . 4.480 3.715 3.565 3.883 . 0 0 "[ . 1 . 2]" 1
1103 1 48 LEU HB3 1 49 GLU QG . . 5.270 4.881 4.445 5.268 . 0 0 "[ . 1 . 2]" 1
1104 1 48 LEU MD1 1 49 GLU H . . 4.560 4.408 4.123 4.561 0.001 15 0 "[ . 1 . 2]" 1
1105 1 49 GLU H 1 49 GLU HB2 . . 3.570 2.309 2.229 2.409 . 0 0 "[ . 1 . 2]" 1
1106 1 49 GLU H 1 49 GLU HB3 . . 3.820 3.553 3.520 3.586 . 0 0 "[ . 1 . 2]" 1
1107 1 49 GLU H 1 49 GLU HG2 . . 4.480 3.319 2.420 4.093 . 0 0 "[ . 1 . 2]" 1
1108 1 49 GLU H 1 49 GLU QG . . 3.780 2.650 2.386 3.298 . 0 0 "[ . 1 . 2]" 1
1109 1 49 GLU H 1 49 GLU HG3 . . 4.480 3.090 2.513 3.739 . 0 0 "[ . 1 . 2]" 1
1110 1 49 GLU H 1 50 LYS H . . 4.810 4.327 2.768 4.646 . 0 0 "[ . 1 . 2]" 1
1111 1 49 GLU HA 1 49 GLU QG . . 3.260 2.365 2.147 2.753 . 0 0 "[ . 1 . 2]" 1
1112 1 49 GLU HB2 1 50 LYS H . . 4.740 4.124 2.573 4.556 . 0 0 "[ . 1 . 2]" 1
1113 1 49 GLU HB3 1 49 GLU QG . . 2.590 2.365 2.143 2.467 . 0 0 "[ . 1 . 2]" 1
1114 1 49 GLU HB3 1 50 LYS H . . 4.570 3.298 2.672 4.097 . 0 0 "[ . 1 . 2]" 1
1115 1 50 LYS H 1 50 LYS HB2 . . 4.160 2.885 2.244 3.824 . 0 0 "[ . 1 . 2]" 1
1116 1 50 LYS H 1 50 LYS QB . . 3.590 2.504 2.220 3.240 . 0 0 "[ . 1 . 2]" 1
1117 1 50 LYS H 1 50 LYS HB3 . . 4.160 3.028 2.430 4.051 . 0 0 "[ . 1 . 2]" 1
1118 1 50 LYS H 1 50 LYS QG . . 4.500 3.282 1.884 4.351 . 0 0 "[ . 1 . 2]" 1
1119 1 50 LYS HA 1 50 LYS QG . . 3.610 2.673 2.254 3.377 . 0 0 "[ . 1 . 2]" 1
1120 1 50 LYS QE 1 50 LYS QG . . 3.440 2.216 2.051 2.557 . 0 0 "[ . 1 . 2]" 1
1121 1 50 LYS QG 1 51 LYS H . . 4.930 3.788 2.531 4.683 . 0 0 "[ . 1 . 2]" 1
1122 1 51 LYS HA 1 51 LYS QD . . 4.200 3.145 1.987 4.206 0.006 19 0 "[ . 1 . 2]" 1
1123 1 51 LYS HA 1 51 LYS QE . . 4.380 4.008 2.010 4.381 0.001 19 0 "[ . 1 . 2]" 1
1124 1 51 LYS HA 1 51 LYS QG . . 3.530 2.557 2.154 3.440 . 0 0 "[ . 1 . 2]" 1
1125 1 51 LYS QB 1 51 LYS QE . . 4.390 2.824 1.994 3.746 . 0 0 "[ . 1 . 2]" 1
1126 1 53 THR HA 1 53 THR MG . . 3.260 2.460 2.098 3.203 . 0 0 "[ . 1 . 2]" 1
1127 1 54 GLY QA 1 55 LEU QB . . 4.180 3.943 3.640 4.163 . 0 0 "[ . 1 . 2]" 1
1128 1 55 LEU H 1 55 LEU QB . . 3.680 2.418 2.165 3.000 . 0 0 "[ . 1 . 2]" 1
1129 1 55 LEU HA 1 55 LEU MD1 . . 4.310 3.069 2.083 3.876 . 0 0 "[ . 1 . 2]" 1
1130 1 55 LEU HA 1 55 LEU QD . . 3.170 2.600 2.016 3.165 . 0 0 "[ . 1 . 2]" 1
1131 1 55 LEU HA 1 55 LEU MD2 . . 4.310 3.323 2.035 4.106 . 0 0 "[ . 1 . 2]" 1
1132 1 55 LEU HA 1 55 LEU HG . . 3.960 2.677 2.293 3.725 . 0 0 "[ . 1 . 2]" 1
1133 1 56 GLY QA 1 57 GLN QB . . 4.820 4.187 3.982 4.514 . 0 0 "[ . 1 . 2]" 1
1134 1 56 GLY QA 1 57 GLN QG . . 4.720 3.801 3.016 4.592 . 0 0 "[ . 1 . 2]" 1
1135 1 57 GLN H 1 57 GLN QB . . 3.600 2.556 2.177 2.986 . 0 0 "[ . 1 . 2]" 1
1136 1 57 GLN H 1 57 GLN QG . . 4.210 2.715 1.968 3.684 . 0 0 "[ . 1 . 2]" 1
1137 1 57 GLN HA 1 57 GLN QG . . 3.450 2.861 2.284 3.451 0.001 17 0 "[ . 1 . 2]" 1
1138 1 58 GLN HA 1 58 GLN HG2 . . 3.930 3.466 3.038 3.766 . 0 0 "[ . 1 . 2]" 1
1139 1 58 GLN HA 1 58 GLN QG . . 3.380 2.607 2.166 3.339 . 0 0 "[ . 1 . 2]" 1
1140 1 58 GLN HA 1 58 GLN HG3 . . 3.930 2.761 2.202 3.908 . 0 0 "[ . 1 . 2]" 1
1141 1 58 GLN HA 1 59 LEU H . . 3.100 2.367 2.144 2.746 . 0 0 "[ . 1 . 2]" 1
1142 1 58 GLN QB 1 59 LEU H . . 3.950 3.183 2.052 3.908 . 0 0 "[ . 1 . 2]" 1
1143 1 58 GLN HB2 1 59 LEU H . . 4.580 3.737 2.065 4.579 . 0 0 "[ . 1 . 2]" 1
1144 1 58 GLN HB3 1 59 LEU H . . 4.580 3.680 3.041 4.240 . 0 0 "[ . 1 . 2]" 1
1145 1 58 GLN QG 1 60 GLN H . . 4.030 2.498 1.888 3.457 . 0 0 "[ . 1 . 2]" 1
1146 1 58 GLN HG2 1 60 GLN H . . 4.600 3.454 1.916 4.521 . 0 0 "[ . 1 . 2]" 1
1147 1 58 GLN HG3 1 60 GLN H . . 4.600 2.825 1.926 3.909 . 0 0 "[ . 1 . 2]" 1
1148 1 59 LEU H 1 59 LEU QD . . 4.600 2.177 1.791 3.033 . 0 0 "[ . 1 . 2]" 1
1149 1 59 LEU H 1 59 LEU HG . . 3.300 2.573 1.913 3.092 . 0 0 "[ . 1 . 2]" 1
1150 1 59 LEU H 1 60 GLN H . . 3.390 2.028 1.812 2.785 . 0 0 "[ . 1 . 2]" 1
1151 1 59 LEU HA 1 59 LEU MD1 . . 4.390 3.987 3.456 4.121 . 0 0 "[ . 1 . 2]" 1
1152 1 59 LEU HA 1 59 LEU QD . . 3.510 3.336 3.255 3.422 . 0 0 "[ . 1 . 2]" 1
1153 1 59 LEU HA 1 59 LEU MD2 . . 4.390 3.632 3.409 4.097 . 0 0 "[ . 1 . 2]" 1
1154 1 59 LEU HA 1 59 LEU HG . . 4.270 3.697 3.634 3.749 . 0 0 "[ . 1 . 2]" 1
1155 1 59 LEU QB 1 59 LEU QD . . 2.840 1.815 1.755 1.873 . 0 0 "[ . 1 . 2]" 1
1156 1 59 LEU QB 1 60 GLN HA . . 5.340 4.556 4.390 4.835 . 0 0 "[ . 1 . 2]" 1
1157 1 59 LEU HB2 1 60 GLN H . . 4.230 3.853 3.688 4.229 . 0 0 "[ . 1 . 2]" 1
1158 1 59 LEU HB3 1 60 GLN H . . 4.230 4.058 3.826 4.231 0.001 20 0 "[ . 1 . 2]" 1
1159 1 59 LEU MD1 1 60 GLN H . . 4.750 3.680 2.307 4.215 . 0 0 "[ . 1 . 2]" 1
1160 1 59 LEU MD2 1 60 GLN H . . 4.750 3.085 2.105 4.165 . 0 0 "[ . 1 . 2]" 1
1161 1 59 LEU HG 1 60 GLN H . . 3.590 2.294 1.928 2.615 . 0 0 "[ . 1 . 2]" 1
1162 1 59 LEU HG 1 60 GLN HA . . 5.500 4.234 3.750 5.021 . 0 0 "[ . 1 . 2]" 1
1163 1 59 LEU HG 1 60 GLN QG . . 4.800 2.867 2.427 4.114 . 0 0 "[ . 1 . 2]" 1
1164 1 60 GLN H 1 60 GLN HB2 . . 4.100 3.296 2.368 3.938 . 0 0 "[ . 1 . 2]" 1
1165 1 60 GLN H 1 60 GLN QB . . 3.390 2.742 2.336 3.047 . 0 0 "[ . 1 . 2]" 1
1166 1 60 GLN H 1 60 GLN HB3 . . 4.100 3.288 2.997 3.607 . 0 0 "[ . 1 . 2]" 1
1167 1 60 GLN H 1 60 GLN QG . . 3.550 2.799 2.131 3.484 . 0 0 "[ . 1 . 2]" 1
1168 1 60 GLN H 1 61 GLY H . . 4.720 4.390 4.261 4.455 . 0 0 "[ . 1 . 2]" 1
1169 1 60 GLN HA 1 60 GLN QG . . 3.550 2.916 2.273 3.429 . 0 0 "[ . 1 . 2]" 1
1170 1 60 GLN HA 1 61 GLY H . . 2.880 2.212 2.162 2.473 . 0 0 "[ . 1 . 2]" 1
1171 1 60 GLN HA 1 61 GLY HA3 . . 4.920 4.326 4.310 4.343 . 0 0 "[ . 1 . 2]" 1
1172 1 60 GLN QB 1 60 GLN QE . . 4.030 2.768 2.111 3.455 . 0 0 "[ . 1 . 2]" 1
1173 1 60 GLN QB 1 61 GLY H . . 3.550 2.998 2.303 3.166 . 0 0 "[ . 1 . 2]" 1
1174 1 60 GLN HB2 1 61 GLY H . . 4.350 3.524 2.325 4.321 . 0 0 "[ . 1 . 2]" 1
1175 1 60 GLN HB3 1 61 GLY H . . 4.350 3.752 3.010 4.291 . 0 0 "[ . 1 . 2]" 1
1176 1 60 GLN QE 1 60 GLN QG . . 3.090 2.204 2.068 2.466 . 0 0 "[ . 1 . 2]" 1
1177 1 60 GLN HE22 1 60 GLN QG . . 3.760 3.293 3.217 3.400 . 0 0 "[ . 1 . 2]" 1
1178 1 60 GLN QG 1 61 GLY H . . 3.910 3.689 3.448 3.907 . 0 0 "[ . 1 . 2]" 1
1179 1 61 GLY HA2 1 62 TYR H . . 3.210 2.674 2.531 2.806 . 0 0 "[ . 1 . 2]" 1
1180 1 61 GLY HA3 1 62 TYR H . . 3.270 2.460 2.345 2.594 . 0 0 "[ . 1 . 2]" 1
1181 1 62 TYR H 1 62 TYR HB2 . . 3.380 2.386 2.311 2.464 . 0 0 "[ . 1 . 2]" 1
1182 1 62 TYR H 1 62 TYR HB3 . . 3.800 3.601 3.577 3.628 . 0 0 "[ . 1 . 2]" 1
1183 1 62 TYR H 1 62 TYR QD . . 3.730 3.150 2.801 3.389 . 0 0 "[ . 1 . 2]" 1
1184 1 62 TYR H 1 62 TYR QE . . 5.200 4.784 4.571 5.004 . 0 0 "[ . 1 . 2]" 1
1185 1 62 TYR HA 1 62 TYR QD . . 3.780 2.288 2.032 2.612 . 0 0 "[ . 1 . 2]" 1
1186 1 62 TYR HA 1 62 TYR QE . . 4.940 4.379 4.248 4.529 . 0 0 "[ . 1 . 2]" 1
1187 1 62 TYR HA 1 63 ILE H . . 2.840 2.159 2.139 2.180 . 0 0 "[ . 1 . 2]" 1
1188 1 62 TYR HA 1 63 ILE HA . . 5.500 4.409 4.394 4.422 . 0 0 "[ . 1 . 2]" 1
1189 1 62 TYR HA 1 63 ILE HG12 . . 4.670 3.988 3.882 4.198 . 0 0 "[ . 1 . 2]" 1
1190 1 62 TYR HA 1 63 ILE HG13 . . 4.960 4.854 4.598 4.954 . 0 0 "[ . 1 . 2]" 1
1191 1 62 TYR HA 1 63 ILE MG . . 4.270 3.662 3.501 3.833 . 0 0 "[ . 1 . 2]" 1
1192 1 62 TYR HB2 1 63 ILE H . . 4.410 4.233 4.096 4.345 . 0 0 "[ . 1 . 2]" 1
1193 1 62 TYR HB3 1 63 ILE H . . 3.740 3.250 3.105 3.446 . 0 0 "[ . 1 . 2]" 1
1194 1 62 TYR QD 1 63 ILE H . . 4.360 3.669 3.452 3.907 . 0 0 "[ . 1 . 2]" 1
1195 1 63 ILE H 1 63 ILE MD . . 4.380 4.055 3.971 4.127 . 0 0 "[ . 1 . 2]" 1
1196 1 63 ILE H 1 63 ILE HG12 . . 3.540 2.569 2.418 2.740 . 0 0 "[ . 1 . 2]" 1
1197 1 63 ILE H 1 63 ILE HG13 . . 3.730 2.861 2.671 2.968 . 0 0 "[ . 1 . 2]" 1
1198 1 63 ILE H 1 63 ILE MG . . 3.680 2.967 2.817 3.077 . 0 0 "[ . 1 . 2]" 1
1199 1 63 ILE H 1 64 PRO QD . . 5.010 4.293 4.271 4.324 . 0 0 "[ . 1 . 2]" 1
1200 1 63 ILE HA 1 63 ILE MD . . 4.550 4.142 4.100 4.162 . 0 0 "[ . 1 . 2]" 1
1201 1 63 ILE HA 1 63 ILE MG . . 3.120 2.372 2.241 2.446 . 0 0 "[ . 1 . 2]" 1
1202 1 63 ILE HA 1 64 PRO QD . . 2.850 2.018 2.009 2.047 . 0 0 "[ . 1 . 2]" 1
1203 1 63 ILE HA 1 64 PRO QG . . 4.540 3.922 3.912 3.955 . 0 0 "[ . 1 . 2]" 1
1204 1 63 ILE HB 1 63 ILE MD . . 3.300 2.266 2.154 2.382 . 0 0 "[ . 1 . 2]" 1
1205 1 63 ILE HB 1 64 PRO QD . . 3.200 2.199 2.067 2.263 . 0 0 "[ . 1 . 2]" 1
1206 1 63 ILE MD 1 63 ILE MG . . 3.020 2.199 2.037 2.450 . 0 0 "[ . 1 . 2]" 1
1207 1 63 ILE MD 1 64 PRO QD . . 4.340 3.920 3.718 4.057 . 0 0 "[ . 1 . 2]" 1
1208 1 63 ILE MD 1 65 SER HA . . 4.590 4.246 3.974 4.517 . 0 0 "[ . 1 . 2]" 1
1209 1 63 ILE HG13 1 63 ILE MG . . 3.630 3.176 3.137 3.189 . 0 0 "[ . 1 . 2]" 1
1210 1 63 ILE HG13 1 65 SER H . . 5.500 4.909 4.474 5.156 . 0 0 "[ . 1 . 2]" 1
1211 1 63 ILE MG 1 64 PRO QD . . 3.630 3.115 3.013 3.184 . 0 0 "[ . 1 . 2]" 1
1212 1 64 PRO HA 1 65 SER H . . 2.870 2.162 2.150 2.183 . 0 0 "[ . 1 . 2]" 1
1213 1 64 PRO HA 1 66 ASN H . . 4.710 3.930 3.581 4.191 . 0 0 "[ . 1 . 2]" 1
1214 1 64 PRO HB2 1 66 ASN H . . 4.210 3.351 2.798 3.677 . 0 0 "[ . 1 . 2]" 1
1215 1 64 PRO HB2 1 67 TYR H . . 4.060 2.806 2.543 3.054 . 0 0 "[ . 1 . 2]" 1
1216 1 64 PRO HB2 1 67 TYR HB2 . . 4.620 3.013 2.669 3.389 . 0 0 "[ . 1 . 2]" 1
1217 1 64 PRO HB2 1 67 TYR QD . . 3.930 2.184 2.002 2.695 . 0 0 "[ . 1 . 2]" 1
1218 1 64 PRO HB2 1 67 TYR QE . . 4.680 3.628 3.347 4.027 . 0 0 "[ . 1 . 2]" 1
1219 1 64 PRO HB3 1 65 SER H . . 4.200 3.997 3.858 4.200 . 0 0 "[ . 1 . 2]" 1
1220 1 64 PRO HB3 1 66 ASN H . . 4.990 4.567 4.118 4.838 . 0 0 "[ . 1 . 2]" 1
1221 1 64 PRO HB3 1 67 TYR QD . . 5.020 3.617 3.402 4.082 . 0 0 "[ . 1 . 2]" 1
1222 1 64 PRO HB3 1 67 TYR QE . . 5.010 4.120 3.823 4.613 . 0 0 "[ . 1 . 2]" 1
1223 1 64 PRO QD 1 67 TYR HB2 . . 4.410 3.723 3.561 3.857 . 0 0 "[ . 1 . 2]" 1
1224 1 64 PRO QD 1 67 TYR HB3 . . 4.710 4.645 4.570 4.708 . 0 0 "[ . 1 . 2]" 1
1225 1 64 PRO QD 1 67 TYR QD . . 4.970 4.368 4.121 4.553 . 0 0 "[ . 1 . 2]" 1
1226 1 64 PRO QG 1 67 TYR H . . 4.340 3.451 3.230 3.655 . 0 0 "[ . 1 . 2]" 1
1227 1 64 PRO QG 1 67 TYR HB2 . . 3.970 2.006 1.989 2.077 . 0 0 "[ . 1 . 2]" 1
1228 1 64 PRO QG 1 67 TYR HB3 . . 4.470 3.190 3.062 3.365 . 0 0 "[ . 1 . 2]" 1
1229 1 64 PRO QG 1 67 TYR QD . . 4.020 2.765 2.330 3.021 . 0 0 "[ . 1 . 2]" 1
1230 1 64 PRO QG 1 67 TYR QE . . 4.430 3.461 3.091 3.744 . 0 0 "[ . 1 . 2]" 1
1231 1 65 SER H 1 65 SER HB2 . . 3.890 3.347 2.649 3.613 . 0 0 "[ . 1 . 2]" 1
1232 1 65 SER H 1 65 SER QB . . 3.250 2.441 2.174 2.631 . 0 0 "[ . 1 . 2]" 1
1233 1 65 SER H 1 65 SER HB3 . . 3.890 2.519 2.253 2.703 . 0 0 "[ . 1 . 2]" 1
1234 1 65 SER H 1 66 ASN H . . 3.660 2.580 2.427 2.760 . 0 0 "[ . 1 . 2]" 1
1235 1 65 SER H 1 67 TYR H . . 4.640 4.010 3.876 4.345 . 0 0 "[ . 1 . 2]" 1
1236 1 65 SER H 1 68 VAL H . . 5.300 5.021 4.948 5.218 . 0 0 "[ . 1 . 2]" 1
1237 1 65 SER HA 1 67 TYR H . . 4.450 3.659 3.419 4.153 . 0 0 "[ . 1 . 2]" 1
1238 1 65 SER HA 1 68 VAL H . . 4.900 3.139 3.052 3.253 . 0 0 "[ . 1 . 2]" 1
1239 1 65 SER HA 1 68 VAL MG1 . . 4.740 3.816 3.420 4.141 . 0 0 "[ . 1 . 2]" 1
1240 1 65 SER HA 1 68 VAL MG2 . . 3.560 2.008 1.950 2.076 . 0 0 "[ . 1 . 2]" 1
1241 1 65 SER QB 1 66 ASN H . . 4.210 3.171 2.471 3.635 . 0 0 "[ . 1 . 2]" 1
1242 1 65 SER QB 1 68 VAL MG2 . . 4.560 3.364 3.176 3.702 . 0 0 "[ . 1 . 2]" 1
1243 1 65 SER HB2 1 66 ASN H . . 4.830 3.820 3.490 4.125 . 0 0 "[ . 1 . 2]" 1
1244 1 65 SER HB3 1 66 ASN H . . 4.830 3.539 2.499 4.099 . 0 0 "[ . 1 . 2]" 1
1245 1 66 ASN H 1 66 ASN HB2 . . 3.830 2.496 2.216 2.764 . 0 0 "[ . 1 . 2]" 1
1246 1 66 ASN H 1 66 ASN QB . . 3.290 2.430 2.163 2.676 . 0 0 "[ . 1 . 2]" 1
1247 1 66 ASN H 1 66 ASN HB3 . . 3.830 3.449 2.605 3.596 . 0 0 "[ . 1 . 2]" 1
1248 1 66 ASN H 1 67 TYR H . . 3.300 2.727 2.562 2.853 . 0 0 "[ . 1 . 2]" 1
1249 1 66 ASN H 1 67 TYR HB2 . . 4.960 4.692 4.459 4.833 . 0 0 "[ . 1 . 2]" 1
1250 1 66 ASN H 1 67 TYR QD . . 5.110 3.931 3.618 4.250 . 0 0 "[ . 1 . 2]" 1
1251 1 66 ASN H 1 68 VAL H . . 4.480 4.239 4.135 4.320 . 0 0 "[ . 1 . 2]" 1
1252 1 66 ASN HA 1 68 VAL H . . 4.300 4.189 4.014 4.300 . 0 0 "[ . 1 . 2]" 1
1253 1 67 TYR H 1 67 TYR HB2 . . 3.060 2.247 2.194 2.298 . 0 0 "[ . 1 . 2]" 1
1254 1 67 TYR H 1 67 TYR HB3 . . 3.610 3.529 3.490 3.564 . 0 0 "[ . 1 . 2]" 1
1255 1 67 TYR H 1 67 TYR QD . . 3.850 2.448 2.059 2.652 . 0 0 "[ . 1 . 2]" 1
1256 1 67 TYR H 1 67 TYR QE . . 4.970 4.781 4.418 4.967 . 0 0 "[ . 1 . 2]" 1
1257 1 67 TYR H 1 68 VAL H . . 2.980 2.345 2.136 2.619 . 0 0 "[ . 1 . 2]" 1
1258 1 67 TYR H 1 68 VAL MG1 . . 4.730 4.086 3.830 4.454 . 0 0 "[ . 1 . 2]" 1
1259 1 67 TYR H 1 68 VAL MG2 . . 4.040 3.724 3.412 3.993 . 0 0 "[ . 1 . 2]" 1
1260 1 67 TYR HA 1 67 TYR QD . . 3.370 2.939 2.675 3.028 . 0 0 "[ . 1 . 2]" 1
1261 1 67 TYR HB2 1 68 VAL H . . 4.300 3.007 2.909 3.207 . 0 0 "[ . 1 . 2]" 1
1262 1 67 TYR HB2 1 68 VAL MG1 . . 4.330 3.238 2.986 3.519 . 0 0 "[ . 1 . 2]" 1
1263 1 67 TYR HB3 1 68 VAL H . . 4.830 3.607 3.480 3.780 . 0 0 "[ . 1 . 2]" 1
1264 1 67 TYR HB3 1 68 VAL MG1 . . 4.400 3.113 2.920 3.316 . 0 0 "[ . 1 . 2]" 1
1265 1 68 VAL H 1 68 VAL MG1 . . 3.670 2.654 2.454 2.956 . 0 0 "[ . 1 . 2]" 1
1266 1 68 VAL H 1 68 VAL MG2 . . 3.000 2.118 1.880 2.280 . 0 0 "[ . 1 . 2]" 1
1267 1 68 VAL H 1 69 ALA H . . 4.570 4.465 4.437 4.496 . 0 0 "[ . 1 . 2]" 1
1268 1 68 VAL HA 1 68 VAL MG1 . . 3.150 2.382 2.292 2.468 . 0 0 "[ . 1 . 2]" 1
1269 1 68 VAL HA 1 69 ALA H . . 2.850 2.563 2.492 2.621 . 0 0 "[ . 1 . 2]" 1
1270 1 68 VAL HA 1 69 ALA MB . . 4.430 3.768 3.697 3.854 . 0 0 "[ . 1 . 2]" 1
1271 1 68 VAL HB 1 69 ALA H . . 3.130 2.107 1.969 2.262 . 0 0 "[ . 1 . 2]" 1
1272 1 68 VAL MG1 1 69 ALA H . . 4.010 3.637 3.448 3.791 . 0 0 "[ . 1 . 2]" 1
1273 1 68 VAL MG2 1 69 ALA H . . 3.990 2.958 2.731 3.423 . 0 0 "[ . 1 . 2]" 1
1274 1 68 VAL MG2 1 69 ALA HA . . 4.370 3.322 3.090 3.872 . 0 0 "[ . 1 . 2]" 1
1275 1 69 ALA H 1 69 ALA MB . . 3.230 2.719 2.579 2.807 . 0 0 "[ . 1 . 2]" 1
1276 1 69 ALA HA 1 70 GLU H . . 2.960 2.499 2.230 2.637 . 0 0 "[ . 1 . 2]" 1
1277 1 69 ALA HA 1 70 GLU QB . . 4.490 4.268 4.106 4.484 . 0 0 "[ . 1 . 2]" 1
1278 1 69 ALA MB 1 70 GLU H . . 3.260 2.290 2.056 2.785 . 0 0 "[ . 1 . 2]" 1
1279 1 69 ALA MB 1 70 GLU QB . . 4.570 3.883 3.690 4.524 . 0 0 "[ . 1 . 2]" 1
1280 1 70 GLU H 1 70 GLU QB . . 2.920 2.236 2.161 2.376 . 0 0 "[ . 1 . 2]" 1
1281 1 70 GLU H 1 70 GLU QG . . 3.960 3.503 2.312 3.967 0.007 20 0 "[ . 1 . 2]" 1
1282 1 70 GLU H 1 71 ASP H . . 4.720 4.320 4.064 4.535 . 0 0 "[ . 1 . 2]" 1
1283 1 70 GLU HA 1 70 GLU QG . . 3.490 2.317 2.129 3.332 . 0 0 "[ . 1 . 2]" 1
1284 1 70 GLU HA 1 71 ASP H . . 2.860 2.164 2.142 2.222 . 0 0 "[ . 1 . 2]" 1
1285 1 70 GLU QB 1 71 ASP H . . 4.040 3.761 3.234 3.997 . 0 0 "[ . 1 . 2]" 1
1286 1 70 GLU QG 1 71 ASP H . . 4.050 3.649 3.160 4.023 . 0 0 "[ . 1 . 2]" 1
1287 1 71 ASP H 1 71 ASP HB2 . . 3.640 2.476 2.448 2.684 . 0 0 "[ . 1 . 2]" 1
1288 1 71 ASP H 1 71 ASP HB3 . . 3.590 2.820 2.592 2.847 . 0 0 "[ . 1 . 2]" 1
1289 1 71 ASP HB2 1 72 SER H . . 5.050 4.153 3.908 4.533 . 0 0 "[ . 1 . 2]" 1
1290 1 71 ASP HB3 1 72 SER H . . 4.790 3.546 3.092 4.202 . 0 0 "[ . 1 . 2]" 1
1291 1 72 SER H 1 72 SER HB2 . . 4.020 3.009 2.228 3.680 . 0 0 "[ . 1 . 2]" 1
1292 1 72 SER H 1 72 SER HB3 . . 4.020 2.813 2.333 3.592 . 0 0 "[ . 1 . 2]" 1
1293 1 73 GLY QA 1 74 PRO HD2 . . 2.980 2.174 1.978 2.707 . 0 0 "[ . 1 . 2]" 1
1294 1 73 GLY QA 1 74 PRO HD3 . . 2.980 2.419 2.238 2.809 . 0 0 "[ . 1 . 2]" 1
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