Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
574841 | 2mgw RC | 19606 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2mgw
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 1033
_Distance_constraint_stats_list.Viol_count 1026
_Distance_constraint_stats_list.Viol_total 536.938
_Distance_constraint_stats_list.Viol_max 0.238
_Distance_constraint_stats_list.Viol_rms 0.0093
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0013
_Distance_constraint_stats_list.Viol_average_violations_only 0.0262
_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 3 LEU 0.028 0.028 17 0 "[ . 1 . 2]"
1 6 SER 0.010 0.010 7 0 "[ . 1 . 2]"
1 7 GLU 0.049 0.013 11 0 "[ . 1 . 2]"
1 8 ASP 0.038 0.013 11 0 "[ . 1 . 2]"
1 9 GLN 0.278 0.041 6 0 "[ . 1 . 2]"
1 10 THR 0.283 0.041 6 0 "[ . 1 . 2]"
1 11 ALA 0.804 0.183 12 0 "[ . 1 . 2]"
1 12 ALA 0.014 0.006 7 0 "[ . 1 . 2]"
1 13 LEU 0.454 0.021 16 0 "[ . 1 . 2]"
1 14 MET 1.487 0.183 12 0 "[ . 1 . 2]"
1 15 ALA 0.612 0.156 16 0 "[ . 1 . 2]"
1 16 HIS 0.553 0.060 12 0 "[ . 1 . 2]"
1 17 LEU 1.369 0.082 10 0 "[ . 1 . 2]"
1 18 PHE 1.025 0.082 10 0 "[ . 1 . 2]"
1 19 GLU 1.231 0.145 18 0 "[ . 1 . 2]"
1 20 MET 0.523 0.145 18 0 "[ . 1 . 2]"
1 21 GLY 0.073 0.025 18 0 "[ . 1 . 2]"
1 22 PHE 0.714 0.061 8 0 "[ . 1 . 2]"
1 23 CYS 0.248 0.081 15 0 "[ . 1 . 2]"
1 24 ASP 0.464 0.081 15 0 "[ . 1 . 2]"
1 25 ARG 0.047 0.041 3 0 "[ . 1 . 2]"
1 26 GLN 3.634 0.180 3 0 "[ . 1 . 2]"
1 27 LEU 5.857 0.169 19 0 "[ . 1 . 2]"
1 28 ASN 1.362 0.143 10 0 "[ . 1 . 2]"
1 29 LEU 1.492 0.238 20 0 "[ . 1 . 2]"
1 30 ARG 1.376 0.076 19 0 "[ . 1 . 2]"
1 31 LEU 2.952 0.078 6 0 "[ . 1 . 2]"
1 32 LEU 2.316 0.105 1 0 "[ . 1 . 2]"
1 33 LYS 0.912 0.070 9 0 "[ . 1 . 2]"
1 34 LYS 1.422 0.078 6 0 "[ . 1 . 2]"
1 35 HIS 0.863 0.070 19 0 "[ . 1 . 2]"
1 36 ASN 0.639 0.070 19 0 "[ . 1 . 2]"
1 37 TYR 2.518 0.105 1 0 "[ . 1 . 2]"
1 38 ASN 0.777 0.046 17 0 "[ . 1 . 2]"
1 39 ILE 1.083 0.062 15 0 "[ . 1 . 2]"
1 40 LEU 0.276 0.026 18 0 "[ . 1 . 2]"
1 41 GLN 0.238 0.026 18 0 "[ . 1 . 2]"
1 42 VAL 1.470 0.054 18 0 "[ . 1 . 2]"
1 43 VAL 1.822 0.062 15 0 "[ . 1 . 2]"
1 44 THR 0.499 0.043 11 0 "[ . 1 . 2]"
1 45 GLU 0.810 0.058 20 0 "[ . 1 . 2]"
1 46 LEU 2.756 0.061 8 0 "[ . 1 . 2]"
1 47 LEU 0.278 0.056 11 0 "[ . 1 . 2]"
1 48 GLN 0.767 0.172 11 0 "[ . 1 . 2]"
1 49 LEU 0.564 0.043 11 0 "[ . 1 . 2]"
1 50 ASN 0.305 0.221 5 0 "[ . 1 . 2]"
1 51 ASN 0.057 0.056 5 0 "[ . 1 . 2]"
1 52 ASN 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 3 LEU H 1 3 LEU HG . . 4.460 4.006 1.979 4.488 0.028 17 0 "[ . 1 . 2]" 1
2 1 6 SER HA 1 6 SER QB . . 2.640 2.347 2.174 2.490 . 0 0 "[ . 1 . 2]" 1
3 1 6 SER HA 1 7 GLU HA . . 4.560 4.365 4.302 4.570 0.010 7 0 "[ . 1 . 2]" 1
4 1 6 SER HA 1 7 GLU HB3 . . 4.950 4.754 4.550 4.919 . 0 0 "[ . 1 . 2]" 1
5 1 6 SER HA 1 8 ASP H . . 4.360 3.825 3.207 4.173 . 0 0 "[ . 1 . 2]" 1
6 1 7 GLU H 1 7 GLU HB2 . . 4.010 2.540 2.391 2.778 . 0 0 "[ . 1 . 2]" 1
7 1 7 GLU H 1 7 GLU HB3 . . 3.960 2.549 2.364 2.689 . 0 0 "[ . 1 . 2]" 1
8 1 7 GLU H 1 7 GLU QG . . 4.400 3.978 3.928 4.049 . 0 0 "[ . 1 . 2]" 1
9 1 7 GLU H 1 8 ASP H . . 4.630 2.531 2.395 2.759 . 0 0 "[ . 1 . 2]" 1
10 1 7 GLU HA 1 7 GLU QG . . 3.500 2.464 2.232 2.884 . 0 0 "[ . 1 . 2]" 1
11 1 7 GLU HA 1 10 THR H . . 3.940 3.516 3.270 3.738 . 0 0 "[ . 1 . 2]" 1
12 1 7 GLU HA 1 10 THR HB . . 4.490 3.957 2.716 4.493 0.003 11 0 "[ . 1 . 2]" 1
13 1 7 GLU HA 1 37 TYR QE . . 4.450 3.930 3.299 4.447 . 0 0 "[ . 1 . 2]" 1
14 1 7 GLU HB3 1 7 GLU QG . . 2.720 2.264 2.130 2.515 . 0 0 "[ . 1 . 2]" 1
15 1 7 GLU HB3 1 8 ASP HA . . 4.550 4.214 4.014 4.408 . 0 0 "[ . 1 . 2]" 1
16 1 7 GLU QG 1 8 ASP H . . 5.200 3.923 3.601 4.050 . 0 0 "[ . 1 . 2]" 1
17 1 7 GLU QG 1 8 ASP HA . . 4.130 3.956 3.611 4.143 0.013 11 0 "[ . 1 . 2]" 1
18 1 7 GLU QG 1 11 ALA H . . 4.810 4.351 3.826 4.800 . 0 0 "[ . 1 . 2]" 1
19 1 7 GLU QG 1 37 TYR QE . . 5.500 5.190 4.172 5.506 0.006 6 0 "[ . 1 . 2]" 1
20 1 8 ASP H 1 8 ASP QB . . 3.570 2.302 2.147 2.612 . 0 0 "[ . 1 . 2]" 1
21 1 8 ASP H 1 11 ALA MB . . 5.410 5.017 4.719 5.415 0.005 16 0 "[ . 1 . 2]" 1
22 1 8 ASP HA 1 10 THR H . . 4.840 4.399 3.943 4.643 . 0 0 "[ . 1 . 2]" 1
23 1 8 ASP HA 1 11 ALA H . . 3.870 3.423 3.307 3.612 . 0 0 "[ . 1 . 2]" 1
24 1 8 ASP HA 1 11 ALA MB . . 3.390 2.736 2.425 3.053 . 0 0 "[ . 1 . 2]" 1
25 1 8 ASP HA 1 12 ALA H . . 5.320 4.980 4.704 5.326 0.006 7 0 "[ . 1 . 2]" 1
26 1 9 GLN H 1 9 GLN QB . . 3.290 2.262 2.056 2.521 . 0 0 "[ . 1 . 2]" 1
27 1 9 GLN H 1 9 GLN HG2 . . 4.740 4.025 2.030 4.604 . 0 0 "[ . 1 . 2]" 1
28 1 9 GLN H 1 9 GLN QG . . 4.130 3.624 2.014 4.062 . 0 0 "[ . 1 . 2]" 1
29 1 9 GLN H 1 9 GLN HG3 . . 4.740 4.295 3.336 4.557 . 0 0 "[ . 1 . 2]" 1
30 1 9 GLN HA 1 9 GLN HG2 . . 3.950 3.610 2.673 3.787 . 0 0 "[ . 1 . 2]" 1
31 1 9 GLN HA 1 9 GLN HG3 . . 3.950 3.117 2.550 3.845 . 0 0 "[ . 1 . 2]" 1
32 1 9 GLN HA 1 12 ALA H . . 3.870 3.527 3.443 3.672 . 0 0 "[ . 1 . 2]" 1
33 1 9 GLN HA 1 12 ALA MB . . 3.270 2.999 2.753 3.119 . 0 0 "[ . 1 . 2]" 1
34 1 9 GLN HA 1 13 LEU H . . 4.860 4.699 4.513 4.868 0.008 12 0 "[ . 1 . 2]" 1
35 1 9 GLN HA 1 13 LEU MD1 . . 5.080 5.048 4.910 5.101 0.021 16 0 "[ . 1 . 2]" 1
36 1 9 GLN HA 1 13 LEU MD2 . . 4.720 4.565 4.386 4.728 0.008 7 0 "[ . 1 . 2]" 1
37 1 9 GLN HA 1 13 LEU HG . . 4.610 4.497 4.282 4.627 0.017 16 0 "[ . 1 . 2]" 1
38 1 9 GLN HB2 1 10 THR H . . 3.870 3.727 2.927 3.877 0.007 7 0 "[ . 1 . 2]" 1
39 1 9 GLN HB3 1 10 THR H . . 3.870 2.726 2.307 3.911 0.041 6 0 "[ . 1 . 2]" 1
40 1 9 GLN QG 1 13 LEU MD1 . . 4.290 2.773 2.411 4.294 0.004 4 0 "[ . 1 . 2]" 1
41 1 9 GLN HG2 1 37 TYR QD . . 5.500 4.140 3.354 5.510 0.010 4 0 "[ . 1 . 2]" 1
42 1 9 GLN HG2 1 37 TYR QE . . 5.500 4.364 2.983 5.343 . 0 0 "[ . 1 . 2]" 1
43 1 9 GLN HG3 1 37 TYR QD . . 5.500 4.366 3.105 5.089 . 0 0 "[ . 1 . 2]" 1
44 1 9 GLN HG3 1 37 TYR QE . . 5.500 4.779 3.081 5.504 0.004 19 0 "[ . 1 . 2]" 1
45 1 10 THR H 1 10 THR HB . . 3.140 2.575 2.550 2.605 . 0 0 "[ . 1 . 2]" 1
46 1 10 THR H 1 10 THR MG . . 3.980 3.766 3.765 3.767 . 0 0 "[ . 1 . 2]" 1
47 1 10 THR H 1 11 ALA MB . . 4.490 4.362 4.264 4.427 . 0 0 "[ . 1 . 2]" 1
48 1 10 THR H 1 13 LEU MD1 . . 4.670 4.204 3.961 4.389 . 0 0 "[ . 1 . 2]" 1
49 1 10 THR H 1 13 LEU HG . . 4.640 4.311 4.169 4.474 . 0 0 "[ . 1 . 2]" 1
50 1 10 THR H 1 32 LEU QD . . 5.440 4.794 4.453 4.985 . 0 0 "[ . 1 . 2]" 1
51 1 10 THR H 1 37 TYR QE . . 4.950 4.034 3.437 4.343 . 0 0 "[ . 1 . 2]" 1
52 1 10 THR HA 1 10 THR MG . . 3.260 2.345 2.302 2.419 . 0 0 "[ . 1 . 2]" 1
53 1 10 THR HA 1 12 ALA MB . . 4.880 4.750 4.594 4.862 . 0 0 "[ . 1 . 2]" 1
54 1 10 THR HA 1 13 LEU H . . 4.090 3.222 3.119 3.321 . 0 0 "[ . 1 . 2]" 1
55 1 10 THR HA 1 13 LEU HB3 . . 4.710 4.394 4.245 4.592 . 0 0 "[ . 1 . 2]" 1
56 1 10 THR HA 1 13 LEU MD1 . . 3.940 2.480 2.293 2.685 . 0 0 "[ . 1 . 2]" 1
57 1 10 THR HA 1 13 LEU MD2 . . 4.250 4.022 3.810 4.242 . 0 0 "[ . 1 . 2]" 1
58 1 10 THR HA 1 13 LEU HG . . 4.220 2.399 2.152 2.638 . 0 0 "[ . 1 . 2]" 1
59 1 10 THR HA 1 14 MET H . . 4.480 4.099 3.877 4.444 . 0 0 "[ . 1 . 2]" 1
60 1 10 THR HA 1 32 LEU MD1 . . 4.400 3.141 2.783 3.311 . 0 0 "[ . 1 . 2]" 1
61 1 10 THR HA 1 32 LEU MD2 . . 4.400 3.926 3.591 4.076 . 0 0 "[ . 1 . 2]" 1
62 1 10 THR HA 1 37 TYR QD . . 5.390 5.084 4.880 5.373 . 0 0 "[ . 1 . 2]" 1
63 1 10 THR HA 1 37 TYR QE . . 5.500 4.891 4.627 5.107 . 0 0 "[ . 1 . 2]" 1
64 1 10 THR HB 1 11 ALA H . . 3.130 2.660 2.527 2.783 . 0 0 "[ . 1 . 2]" 1
65 1 10 THR HB 1 11 ALA HA . . 5.030 4.232 4.188 4.278 . 0 0 "[ . 1 . 2]" 1
66 1 10 THR HB 1 11 ALA MB . . 4.800 4.049 3.989 4.114 . 0 0 "[ . 1 . 2]" 1
67 1 10 THR MG 1 11 ALA H . . 3.630 3.522 3.331 3.629 . 0 0 "[ . 1 . 2]" 1
68 1 10 THR MG 1 11 ALA HA . . 3.850 3.604 3.362 3.708 . 0 0 "[ . 1 . 2]" 1
69 1 10 THR MG 1 11 ALA MB . . 4.370 4.268 4.151 4.341 . 0 0 "[ . 1 . 2]" 1
70 1 10 THR MG 1 12 ALA H . . 4.880 4.780 4.599 4.884 0.004 4 0 "[ . 1 . 2]" 1
71 1 10 THR MG 1 13 LEU H . . 4.360 4.241 4.133 4.362 0.002 3 0 "[ . 1 . 2]" 1
72 1 10 THR MG 1 13 LEU HB2 . . 4.530 3.253 3.037 3.479 . 0 0 "[ . 1 . 2]" 1
73 1 10 THR MG 1 14 MET H . . 4.090 3.589 3.293 3.991 . 0 0 "[ . 1 . 2]" 1
74 1 10 THR MG 1 14 MET QB . . 5.040 3.927 3.058 4.569 . 0 0 "[ . 1 . 2]" 1
75 1 10 THR MG 1 14 MET HG2 . . 4.170 3.010 2.406 3.599 . 0 0 "[ . 1 . 2]" 1
76 1 10 THR MG 1 14 MET QG . . 3.650 2.430 2.171 2.761 . 0 0 "[ . 1 . 2]" 1
77 1 10 THR MG 1 14 MET HG3 . . 4.170 2.826 2.228 4.210 0.040 12 0 "[ . 1 . 2]" 1
78 1 10 THR MG 1 29 LEU QB . . 5.180 4.948 4.605 5.193 0.013 12 0 "[ . 1 . 2]" 1
79 1 10 THR MG 1 29 LEU QD . . 3.360 2.925 2.542 3.344 . 0 0 "[ . 1 . 2]" 1
80 1 10 THR MG 1 32 LEU QD . . 3.460 1.824 1.720 1.939 . 0 0 "[ . 1 . 2]" 1
81 1 10 THR MG 1 32 LEU HG . . 5.370 4.197 4.121 4.427 . 0 0 "[ . 1 . 2]" 1
82 1 10 THR MG 1 37 TYR QE . . 4.610 4.492 4.131 4.623 0.013 12 0 "[ . 1 . 2]" 1
83 1 11 ALA H 1 11 ALA MB . . 2.620 2.084 2.025 2.184 . 0 0 "[ . 1 . 2]" 1
84 1 11 ALA H 1 12 ALA H . . 3.130 2.730 2.626 2.780 . 0 0 "[ . 1 . 2]" 1
85 1 11 ALA H 1 13 LEU H . . 4.460 4.241 4.142 4.332 . 0 0 "[ . 1 . 2]" 1
86 1 11 ALA H 1 13 LEU MD1 . . 5.500 5.365 5.196 5.480 . 0 0 "[ . 1 . 2]" 1
87 1 11 ALA H 1 13 LEU HG . . 4.870 4.834 4.595 4.882 0.012 4 0 "[ . 1 . 2]" 1
88 1 11 ALA H 1 32 LEU QD . . 5.440 5.303 5.139 5.459 0.019 13 0 "[ . 1 . 2]" 1
89 1 11 ALA HA 1 13 LEU H . . 4.790 4.498 4.351 4.683 . 0 0 "[ . 1 . 2]" 1
90 1 11 ALA HA 1 14 MET H . . 3.750 3.692 3.550 3.810 0.060 16 0 "[ . 1 . 2]" 1
91 1 11 ALA HA 1 14 MET QB . . 3.710 3.146 2.708 3.893 0.183 12 0 "[ . 1 . 2]" 1
92 1 11 ALA HA 1 14 MET HG2 . . 4.890 4.104 1.971 4.894 0.004 4 0 "[ . 1 . 2]" 1
93 1 11 ALA HA 1 14 MET QG . . 4.040 2.730 1.925 3.235 . 0 0 "[ . 1 . 2]" 1
94 1 11 ALA HA 1 14 MET HG3 . . 4.890 2.876 2.257 3.283 . 0 0 "[ . 1 . 2]" 1
95 1 12 ALA H 1 12 ALA MB . . 2.530 2.124 2.048 2.262 . 0 0 "[ . 1 . 2]" 1
96 1 12 ALA H 1 13 LEU MD1 . . 5.500 5.097 4.966 5.201 . 0 0 "[ . 1 . 2]" 1
97 1 12 ALA H 1 13 LEU MD2 . . 4.630 4.400 4.132 4.540 . 0 0 "[ . 1 . 2]" 1
98 1 12 ALA H 1 13 LEU HG . . 4.000 3.796 3.675 3.907 . 0 0 "[ . 1 . 2]" 1
99 1 12 ALA H 1 14 MET H . . 4.330 4.049 3.919 4.228 . 0 0 "[ . 1 . 2]" 1
100 1 12 ALA HA 1 13 LEU MD2 . . 5.170 4.899 4.636 5.111 . 0 0 "[ . 1 . 2]" 1
101 1 12 ALA MB 1 13 LEU H . . 3.110 2.676 2.480 2.804 . 0 0 "[ . 1 . 2]" 1
102 1 12 ALA MB 1 13 LEU MD2 . . 3.740 2.872 2.607 3.009 . 0 0 "[ . 1 . 2]" 1
103 1 12 ALA MB 1 13 LEU HG . . 3.730 3.510 3.327 3.659 . 0 0 "[ . 1 . 2]" 1
104 1 12 ALA MB 1 14 MET H . . 4.810 4.551 4.374 4.808 . 0 0 "[ . 1 . 2]" 1
105 1 12 ALA MB 1 16 HIS HD2 . . 5.370 4.996 4.463 5.228 . 0 0 "[ . 1 . 2]" 1
106 1 13 LEU H 1 13 LEU HB2 . . 4.180 2.710 2.659 2.767 . 0 0 "[ . 1 . 2]" 1
107 1 13 LEU H 1 13 LEU MD1 . . 3.660 3.605 3.572 3.666 0.006 4 0 "[ . 1 . 2]" 1
108 1 13 LEU H 1 13 LEU MD2 . . 3.600 2.761 2.598 2.938 . 0 0 "[ . 1 . 2]" 1
109 1 13 LEU H 1 13 LEU HG . . 2.950 1.975 1.947 2.061 . 0 0 "[ . 1 . 2]" 1
110 1 13 LEU H 1 14 MET H . . 3.150 2.635 2.516 2.739 . 0 0 "[ . 1 . 2]" 1
111 1 13 LEU H 1 15 ALA H . . 4.600 4.121 3.913 4.242 . 0 0 "[ . 1 . 2]" 1
112 1 13 LEU H 1 16 HIS HD2 . . 5.360 5.188 4.930 5.351 . 0 0 "[ . 1 . 2]" 1
113 1 13 LEU HA 1 13 LEU MD1 . . 4.090 3.894 3.854 3.931 . 0 0 "[ . 1 . 2]" 1
114 1 13 LEU HA 1 13 LEU MD2 . . 2.980 2.218 2.051 2.365 . 0 0 "[ . 1 . 2]" 1
115 1 13 LEU HA 1 13 LEU HG . . 3.900 3.379 3.332 3.456 . 0 0 "[ . 1 . 2]" 1
116 1 13 LEU HA 1 16 HIS H . . 3.600 3.345 3.154 3.578 . 0 0 "[ . 1 . 2]" 1
117 1 13 LEU HA 1 16 HIS QB . . 3.600 3.187 2.922 3.511 . 0 0 "[ . 1 . 2]" 1
118 1 13 LEU HA 1 16 HIS HD2 . . 3.430 2.533 2.272 2.686 . 0 0 "[ . 1 . 2]" 1
119 1 13 LEU HA 1 39 ILE MD . . 3.590 3.426 3.153 3.593 0.003 19 0 "[ . 1 . 2]" 1
120 1 13 LEU HA 1 39 ILE MG . . 4.300 3.920 3.780 4.109 . 0 0 "[ . 1 . 2]" 1
121 1 13 LEU HB2 1 13 LEU MD1 . . 3.100 2.281 2.221 2.341 . 0 0 "[ . 1 . 2]" 1
122 1 13 LEU HB2 1 14 MET H . . 3.410 2.619 2.333 2.788 . 0 0 "[ . 1 . 2]" 1
123 1 13 LEU HB2 1 32 LEU MD1 . . 4.440 3.049 2.829 3.218 . 0 0 "[ . 1 . 2]" 1
124 1 13 LEU HB2 1 32 LEU QD . . 3.610 2.815 2.658 2.953 . 0 0 "[ . 1 . 2]" 1
125 1 13 LEU HB2 1 32 LEU MD2 . . 4.440 3.310 3.166 3.477 . 0 0 "[ . 1 . 2]" 1
126 1 13 LEU HB2 1 39 ILE MD . . 4.120 3.265 3.037 3.411 . 0 0 "[ . 1 . 2]" 1
127 1 13 LEU HB3 1 13 LEU MD1 . . 3.410 2.388 2.361 2.440 . 0 0 "[ . 1 . 2]" 1
128 1 13 LEU HB3 1 13 LEU MD2 . . 3.290 2.352 2.285 2.450 . 0 0 "[ . 1 . 2]" 1
129 1 13 LEU HB3 1 14 MET H . . 4.650 3.859 3.671 4.017 . 0 0 "[ . 1 . 2]" 1
130 1 13 LEU HB3 1 32 LEU QD . . 4.640 3.137 2.892 3.339 . 0 0 "[ . 1 . 2]" 1
131 1 13 LEU HB3 1 39 ILE H . . 4.720 4.347 4.233 4.438 . 0 0 "[ . 1 . 2]" 1
132 1 13 LEU HB3 1 39 ILE HB . . 3.720 2.023 1.992 2.223 . 0 0 "[ . 1 . 2]" 1
133 1 13 LEU HB3 1 39 ILE MD . . 3.610 2.283 2.063 2.417 . 0 0 "[ . 1 . 2]" 1
134 1 13 LEU MD1 1 14 MET H . . 4.760 4.451 4.140 4.589 . 0 0 "[ . 1 . 2]" 1
135 1 13 LEU MD1 1 32 LEU HA . . 5.470 5.086 4.879 5.243 . 0 0 "[ . 1 . 2]" 1
136 1 13 LEU MD1 1 32 LEU MD1 . . 3.460 2.620 2.221 2.871 . 0 0 "[ . 1 . 2]" 1
137 1 13 LEU MD1 1 32 LEU QD . . 2.920 1.961 1.808 2.081 . 0 0 "[ . 1 . 2]" 1
138 1 13 LEU MD1 1 32 LEU MD2 . . 3.460 2.032 1.904 2.162 . 0 0 "[ . 1 . 2]" 1
139 1 13 LEU MD1 1 37 TYR H . . 5.500 5.468 5.256 5.518 0.018 11 0 "[ . 1 . 2]" 1
140 1 13 LEU MD1 1 37 TYR HA . . 4.570 3.615 3.406 3.674 . 0 0 "[ . 1 . 2]" 1
141 1 13 LEU MD1 1 37 TYR HB2 . . 5.090 5.023 4.829 5.106 0.016 18 0 "[ . 1 . 2]" 1
142 1 13 LEU MD1 1 37 TYR HB3 . . 3.980 3.668 3.490 3.760 . 0 0 "[ . 1 . 2]" 1
143 1 13 LEU MD1 1 37 TYR QD . . 3.800 3.525 3.260 3.794 . 0 0 "[ . 1 . 2]" 1
144 1 13 LEU MD1 1 38 ASN H . . 5.040 4.700 4.492 4.846 . 0 0 "[ . 1 . 2]" 1
145 1 13 LEU MD1 1 39 ILE H . . 4.900 3.008 2.679 3.253 . 0 0 "[ . 1 . 2]" 1
146 1 13 LEU MD1 1 39 ILE HB . . 4.340 2.501 2.172 2.756 . 0 0 "[ . 1 . 2]" 1
147 1 13 LEU MD1 1 40 LEU H . . 5.500 5.187 4.870 5.460 . 0 0 "[ . 1 . 2]" 1
148 1 13 LEU MD2 1 14 MET H . . 4.560 4.487 4.394 4.558 . 0 0 "[ . 1 . 2]" 1
149 1 13 LEU MD2 1 15 ALA H . . 5.500 5.467 5.390 5.509 0.009 6 0 "[ . 1 . 2]" 1
150 1 13 LEU MD2 1 16 HIS QB . . 4.590 4.321 4.156 4.552 . 0 0 "[ . 1 . 2]" 1
151 1 13 LEU MD2 1 37 TYR QD . . 5.500 5.370 4.999 5.505 0.005 6 0 "[ . 1 . 2]" 1
152 1 13 LEU MD2 1 39 ILE H . . 4.600 4.002 3.499 4.244 . 0 0 "[ . 1 . 2]" 1
153 1 13 LEU MD2 1 39 ILE HB . . 3.530 2.670 2.236 3.017 . 0 0 "[ . 1 . 2]" 1
154 1 13 LEU HG 1 32 LEU QD . . 4.440 3.831 3.718 3.976 . 0 0 "[ . 1 . 2]" 1
155 1 14 MET H 1 14 MET HB2 . . 3.770 2.619 2.299 3.585 . 0 0 "[ . 1 . 2]" 1
156 1 14 MET H 1 14 MET QB . . 3.250 2.434 2.272 2.633 . 0 0 "[ . 1 . 2]" 1
157 1 14 MET H 1 14 MET HB3 . . 3.770 3.436 2.656 3.589 . 0 0 "[ . 1 . 2]" 1
158 1 14 MET H 1 14 MET HG2 . . 3.630 2.850 2.117 3.402 . 0 0 "[ . 1 . 2]" 1
159 1 14 MET H 1 14 MET HG3 . . 3.630 2.641 2.354 3.028 . 0 0 "[ . 1 . 2]" 1
160 1 14 MET H 1 15 ALA H . . 3.200 2.699 2.594 2.769 . 0 0 "[ . 1 . 2]" 1
161 1 14 MET H 1 15 ALA MB . . 5.110 4.335 4.235 4.439 . 0 0 "[ . 1 . 2]" 1
162 1 14 MET H 1 16 HIS H . . 4.550 4.115 4.044 4.179 . 0 0 "[ . 1 . 2]" 1
163 1 14 MET H 1 32 LEU QD . . 4.510 4.086 3.779 4.440 . 0 0 "[ . 1 . 2]" 1
164 1 14 MET H 1 39 ILE MD . . 5.190 4.431 4.188 4.731 . 0 0 "[ . 1 . 2]" 1
165 1 14 MET HA 1 14 MET HG2 . . 3.940 2.609 2.206 3.901 . 0 0 "[ . 1 . 2]" 1
166 1 14 MET HA 1 14 MET QG . . 3.290 2.487 2.177 3.325 0.035 16 0 "[ . 1 . 2]" 1
167 1 14 MET HA 1 14 MET HG3 . . 3.940 3.445 3.207 3.801 . 0 0 "[ . 1 . 2]" 1
168 1 14 MET HA 1 16 HIS H . . 4.440 4.040 3.855 4.305 . 0 0 "[ . 1 . 2]" 1
169 1 14 MET HA 1 17 LEU H . . 3.750 3.545 3.393 3.714 . 0 0 "[ . 1 . 2]" 1
170 1 14 MET HA 1 17 LEU MD1 . . 3.240 1.900 1.886 1.914 . 0 0 "[ . 1 . 2]" 1
171 1 14 MET HA 1 18 PHE H . . 4.910 4.485 4.331 4.632 . 0 0 "[ . 1 . 2]" 1
172 1 14 MET QB 1 15 ALA H . . 3.280 2.823 2.628 3.436 0.156 16 0 "[ . 1 . 2]" 1
173 1 14 MET QB 1 17 LEU MD1 . . 4.100 3.522 3.266 3.685 . 0 0 "[ . 1 . 2]" 1
174 1 14 MET HB2 1 15 ALA H . . 4.050 2.930 2.680 3.698 . 0 0 "[ . 1 . 2]" 1
175 1 14 MET HB3 1 15 ALA H . . 4.050 3.761 3.557 4.083 0.033 12 0 "[ . 1 . 2]" 1
176 1 14 MET QG 1 15 ALA H . . 4.290 3.806 1.930 4.293 0.003 2 0 "[ . 1 . 2]" 1
177 1 14 MET QG 1 32 LEU QD . . 5.000 3.153 2.753 4.336 . 0 0 "[ . 1 . 2]" 1
178 1 14 MET HG2 1 15 ALA H . . 4.970 4.566 3.454 4.970 . 0 0 "[ . 1 . 2]" 1
179 1 14 MET HG3 1 15 ALA H . . 4.970 4.167 1.939 4.722 . 0 0 "[ . 1 . 2]" 1
180 1 15 ALA H 1 15 ALA MB . . 2.680 2.146 2.027 2.241 . 0 0 "[ . 1 . 2]" 1
181 1 15 ALA H 1 16 HIS H . . 3.150 2.571 2.507 2.653 . 0 0 "[ . 1 . 2]" 1
182 1 15 ALA H 1 16 HIS HA . . 5.250 5.166 5.101 5.235 . 0 0 "[ . 1 . 2]" 1
183 1 15 ALA H 1 16 HIS QB . . 4.870 4.642 4.551 4.727 . 0 0 "[ . 1 . 2]" 1
184 1 15 ALA H 1 17 LEU H . . 4.980 4.248 4.169 4.335 . 0 0 "[ . 1 . 2]" 1
185 1 15 ALA H 1 18 PHE H . . 5.130 4.921 4.851 4.947 . 0 0 "[ . 1 . 2]" 1
186 1 15 ALA H 1 39 ILE MD . . 5.500 5.252 4.990 5.433 . 0 0 "[ . 1 . 2]" 1
187 1 15 ALA HA 1 16 HIS HA . . 5.200 4.805 4.786 4.850 . 0 0 "[ . 1 . 2]" 1
188 1 15 ALA HA 1 18 PHE H . . 3.640 3.329 3.227 3.412 . 0 0 "[ . 1 . 2]" 1
189 1 15 ALA HA 1 18 PHE HB2 . . 3.600 2.669 2.578 2.766 . 0 0 "[ . 1 . 2]" 1
190 1 15 ALA HA 1 18 PHE HB3 . . 4.340 4.257 4.169 4.344 0.004 12 0 "[ . 1 . 2]" 1
191 1 15 ALA HA 1 19 GLU H . . 4.440 4.230 4.135 4.334 . 0 0 "[ . 1 . 2]" 1
192 1 15 ALA MB 1 16 HIS H . . 3.050 2.837 2.699 2.923 . 0 0 "[ . 1 . 2]" 1
193 1 15 ALA MB 1 16 HIS HA . . 4.200 3.810 3.732 3.893 . 0 0 "[ . 1 . 2]" 1
194 1 15 ALA MB 1 16 HIS QB . . 4.780 4.526 4.462 4.574 . 0 0 "[ . 1 . 2]" 1
195 1 15 ALA MB 1 18 PHE H . . 4.770 4.618 4.516 4.697 . 0 0 "[ . 1 . 2]" 1
196 1 15 ALA MB 1 18 PHE HB2 . . 4.350 3.921 3.767 4.009 . 0 0 "[ . 1 . 2]" 1
197 1 15 ALA MB 1 18 PHE HB3 . . 5.350 5.266 5.111 5.354 0.004 14 0 "[ . 1 . 2]" 1
198 1 15 ALA MB 1 18 PHE QD . . 4.900 3.345 3.258 3.441 . 0 0 "[ . 1 . 2]" 1
199 1 15 ALA MB 1 19 GLU H . . 5.500 4.704 4.604 4.798 . 0 0 "[ . 1 . 2]" 1
200 1 16 HIS H 1 16 HIS QB . . 2.900 2.442 2.337 2.481 . 0 0 "[ . 1 . 2]" 1
201 1 16 HIS H 1 16 HIS HD2 . . 4.430 4.280 3.887 4.422 . 0 0 "[ . 1 . 2]" 1
202 1 16 HIS H 1 17 LEU H . . 3.170 2.624 2.586 2.727 . 0 0 "[ . 1 . 2]" 1
203 1 16 HIS H 1 17 LEU HB2 . . 5.380 4.923 4.857 5.073 . 0 0 "[ . 1 . 2]" 1
204 1 16 HIS H 1 17 LEU MD1 . . 4.320 3.625 3.528 3.730 . 0 0 "[ . 1 . 2]" 1
205 1 16 HIS H 1 17 LEU HG . . 4.910 4.760 4.654 4.866 . 0 0 "[ . 1 . 2]" 1
206 1 16 HIS H 1 18 PHE H . . 4.410 4.205 4.167 4.287 . 0 0 "[ . 1 . 2]" 1
207 1 16 HIS H 1 19 GLU H . . 4.960 4.888 4.829 4.957 . 0 0 "[ . 1 . 2]" 1
208 1 16 HIS H 1 39 ILE MD . . 4.170 4.026 3.769 4.167 . 0 0 "[ . 1 . 2]" 1
209 1 16 HIS H 1 39 ILE QG . . 4.520 4.531 4.521 4.544 0.024 11 0 "[ . 1 . 2]" 1
210 1 16 HIS HA 1 16 HIS HD2 . . 5.040 4.819 4.735 4.839 . 0 0 "[ . 1 . 2]" 1
211 1 16 HIS HA 1 17 LEU HA . . 5.500 4.709 4.704 4.712 . 0 0 "[ . 1 . 2]" 1
212 1 16 HIS HA 1 17 LEU MD1 . . 5.290 5.166 5.055 5.251 . 0 0 "[ . 1 . 2]" 1
213 1 16 HIS HA 1 17 LEU HG . . 5.330 5.331 5.249 5.390 0.060 12 0 "[ . 1 . 2]" 1
214 1 16 HIS HA 1 18 PHE H . . 5.010 4.720 4.689 4.780 . 0 0 "[ . 1 . 2]" 1
215 1 16 HIS HA 1 19 GLU H . . 3.920 3.791 3.743 3.835 . 0 0 "[ . 1 . 2]" 1
216 1 16 HIS HA 1 19 GLU QB . . 3.630 3.033 2.884 3.164 . 0 0 "[ . 1 . 2]" 1
217 1 16 HIS HA 1 19 GLU QG . . 3.940 3.387 2.862 3.928 . 0 0 "[ . 1 . 2]" 1
218 1 16 HIS HA 1 20 MET H . . 5.500 5.442 5.279 5.516 0.016 8 0 "[ . 1 . 2]" 1
219 1 16 HIS QB 1 16 HIS HD2 . . 3.480 2.695 2.641 2.712 . 0 0 "[ . 1 . 2]" 1
220 1 16 HIS QB 1 17 LEU H . . 3.400 2.692 2.659 2.747 . 0 0 "[ . 1 . 2]" 1
221 1 16 HIS QB 1 17 LEU HG . . 4.680 3.272 3.199 3.365 . 0 0 "[ . 1 . 2]" 1
222 1 16 HIS QB 1 39 ILE MD . . 3.950 2.362 2.241 2.452 . 0 0 "[ . 1 . 2]" 1
223 1 16 HIS HD2 1 39 ILE MD . . 4.200 3.623 3.213 3.808 . 0 0 "[ . 1 . 2]" 1
224 1 16 HIS HD2 1 39 ILE QG . . 3.730 2.104 1.985 2.220 . 0 0 "[ . 1 . 2]" 1
225 1 16 HIS HD2 1 39 ILE MG . . 3.250 2.721 2.426 3.030 . 0 0 "[ . 1 . 2]" 1
226 1 17 LEU H 1 17 LEU HB2 . . 3.710 2.519 2.479 2.593 . 0 0 "[ . 1 . 2]" 1
227 1 17 LEU H 1 17 LEU HB3 . . 3.690 3.607 3.604 3.610 . 0 0 "[ . 1 . 2]" 1
228 1 17 LEU H 1 17 LEU MD1 . . 3.310 2.294 2.121 2.474 . 0 0 "[ . 1 . 2]" 1
229 1 17 LEU H 1 17 LEU MD2 . . 4.170 4.025 3.958 4.065 . 0 0 "[ . 1 . 2]" 1
230 1 17 LEU H 1 17 LEU HG . . 3.230 2.670 2.549 2.748 . 0 0 "[ . 1 . 2]" 1
231 1 17 LEU H 1 18 PHE H . . 3.360 2.506 2.502 2.511 . 0 0 "[ . 1 . 2]" 1
232 1 17 LEU H 1 18 PHE QD . . 4.870 4.768 4.742 4.780 . 0 0 "[ . 1 . 2]" 1
233 1 17 LEU H 1 18 PHE QE . . 5.500 5.527 5.514 5.582 0.082 10 0 "[ . 1 . 2]" 1
234 1 17 LEU H 1 39 ILE MD . . 4.300 3.294 3.216 3.357 . 0 0 "[ . 1 . 2]" 1
235 1 17 LEU H 1 43 VAL QG . . 3.930 3.713 3.528 3.943 0.013 8 0 "[ . 1 . 2]" 1
236 1 17 LEU HA 1 17 LEU MD2 . . 3.380 3.141 3.081 3.303 . 0 0 "[ . 1 . 2]" 1
237 1 17 LEU HA 1 17 LEU HG . . 3.240 2.587 2.549 2.648 . 0 0 "[ . 1 . 2]" 1
238 1 17 LEU HA 1 19 GLU H . . 4.690 3.937 3.913 3.993 . 0 0 "[ . 1 . 2]" 1
239 1 17 LEU HA 1 20 MET H . . 4.190 3.568 3.430 3.684 . 0 0 "[ . 1 . 2]" 1
240 1 17 LEU HA 1 20 MET QG . . 4.450 3.001 2.537 3.773 . 0 0 "[ . 1 . 2]" 1
241 1 17 LEU HA 1 46 LEU QD . . 4.620 4.534 4.214 4.626 0.006 12 0 "[ . 1 . 2]" 1
242 1 17 LEU HB2 1 17 LEU MD2 . . 3.670 2.919 2.823 2.946 . 0 0 "[ . 1 . 2]" 1
243 1 17 LEU HB2 1 18 PHE H . . 4.000 2.491 2.462 2.501 . 0 0 "[ . 1 . 2]" 1
244 1 17 LEU HB2 1 18 PHE HB2 . . 5.030 4.986 4.931 5.009 . 0 0 "[ . 1 . 2]" 1
245 1 17 LEU HB2 1 22 PHE H . . 5.500 5.446 5.160 5.523 0.023 17 0 "[ . 1 . 2]" 1
246 1 17 LEU HB3 1 18 PHE H . . 3.840 3.639 3.604 3.708 . 0 0 "[ . 1 . 2]" 1
247 1 17 LEU HB3 1 22 PHE H . . 5.430 4.624 4.452 4.802 . 0 0 "[ . 1 . 2]" 1
248 1 17 LEU MD1 1 18 PHE H . . 3.910 3.645 3.354 3.733 . 0 0 "[ . 1 . 2]" 1
249 1 17 LEU MD1 1 19 GLU H . . 5.500 5.490 5.324 5.537 0.037 10 0 "[ . 1 . 2]" 1
250 1 17 LEU MD1 1 25 ARG HA . . 5.260 4.986 4.707 5.074 . 0 0 "[ . 1 . 2]" 1
251 1 17 LEU MD1 1 28 ASN HB2 . . 4.210 3.209 3.038 3.288 . 0 0 "[ . 1 . 2]" 1
252 1 17 LEU MD1 1 28 ASN HB3 . . 3.830 2.005 1.929 2.115 . 0 0 "[ . 1 . 2]" 1
253 1 17 LEU MD1 1 39 ILE MD . . 3.230 1.973 1.911 2.066 . 0 0 "[ . 1 . 2]" 1
254 1 17 LEU MD1 1 39 ILE QG . . 4.470 3.692 3.622 3.801 . 0 0 "[ . 1 . 2]" 1
255 1 17 LEU MD1 1 42 VAL HB . . 4.590 3.757 3.529 4.394 . 0 0 "[ . 1 . 2]" 1
256 1 17 LEU MD1 1 46 LEU QD . . 3.850 3.418 3.130 3.733 . 0 0 "[ . 1 . 2]" 1
257 1 17 LEU MD2 1 18 PHE H . . 5.070 4.848 4.816 4.857 . 0 0 "[ . 1 . 2]" 1
258 1 17 LEU MD2 1 22 PHE HB2 . . 4.530 4.108 3.775 4.369 . 0 0 "[ . 1 . 2]" 1
259 1 17 LEU MD2 1 22 PHE HB3 . . 4.980 4.437 4.065 4.780 . 0 0 "[ . 1 . 2]" 1
260 1 17 LEU MD2 1 22 PHE QE . . 4.260 3.202 3.012 3.808 . 0 0 "[ . 1 . 2]" 1
261 1 17 LEU MD2 1 28 ASN H . . 5.010 4.361 4.011 4.471 . 0 0 "[ . 1 . 2]" 1
262 1 17 LEU MD2 1 28 ASN HB3 . . 4.400 3.094 2.252 3.448 . 0 0 "[ . 1 . 2]" 1
263 1 17 LEU MD2 1 39 ILE QG . . 4.190 4.180 4.121 4.219 0.029 10 0 "[ . 1 . 2]" 1
264 1 17 LEU MD2 1 43 VAL H . . 3.560 2.935 2.843 3.416 . 0 0 "[ . 1 . 2]" 1
265 1 17 LEU MD2 1 43 VAL HA . . 4.350 2.081 1.877 2.560 . 0 0 "[ . 1 . 2]" 1
266 1 17 LEU MD2 1 43 VAL QG . . 2.980 1.890 1.822 2.075 . 0 0 "[ . 1 . 2]" 1
267 1 17 LEU MD2 1 44 THR H . . 5.460 4.749 4.524 5.323 . 0 0 "[ . 1 . 2]" 1
268 1 17 LEU MD2 1 46 LEU QD . . 2.990 1.785 1.693 1.868 . 0 0 "[ . 1 . 2]" 1
269 1 17 LEU HG 1 18 PHE H . . 4.620 4.509 4.435 4.555 . 0 0 "[ . 1 . 2]" 1
270 1 17 LEU HG 1 39 ILE MD . . 3.520 2.018 1.931 2.281 . 0 0 "[ . 1 . 2]" 1
271 1 17 LEU HG 1 39 ILE QG . . 4.780 3.798 3.675 3.925 . 0 0 "[ . 1 . 2]" 1
272 1 17 LEU HG 1 43 VAL QG . . 2.930 1.914 1.876 2.171 . 0 0 "[ . 1 . 2]" 1
273 1 17 LEU HG 1 46 LEU QD . . 4.280 4.123 3.926 4.203 . 0 0 "[ . 1 . 2]" 1
274 1 18 PHE H 1 18 PHE HB2 . . 3.270 2.594 2.567 2.604 . 0 0 "[ . 1 . 2]" 1
275 1 18 PHE H 1 18 PHE HB3 . . 3.690 3.589 3.588 3.590 . 0 0 "[ . 1 . 2]" 1
276 1 18 PHE H 1 18 PHE QD . . 3.590 3.044 2.995 3.106 . 0 0 "[ . 1 . 2]" 1
277 1 18 PHE H 1 18 PHE QE . . 4.490 4.316 4.287 4.374 . 0 0 "[ . 1 . 2]" 1
278 1 18 PHE H 1 19 GLU H . . 3.260 2.689 2.652 2.703 . 0 0 "[ . 1 . 2]" 1
279 1 18 PHE H 1 19 GLU HA . . 5.500 5.263 5.235 5.285 . 0 0 "[ . 1 . 2]" 1
280 1 18 PHE H 1 19 GLU QG . . 5.090 4.717 4.514 4.942 . 0 0 "[ . 1 . 2]" 1
281 1 18 PHE H 1 20 MET H . . 4.500 4.214 4.151 4.345 . 0 0 "[ . 1 . 2]" 1
282 1 18 PHE H 1 21 GLY H . . 5.180 5.046 4.965 5.126 . 0 0 "[ . 1 . 2]" 1
283 1 18 PHE H 1 22 PHE H . . 5.500 5.201 4.992 5.356 . 0 0 "[ . 1 . 2]" 1
284 1 18 PHE H 1 22 PHE HB2 . . 5.240 4.698 4.617 4.859 . 0 0 "[ . 1 . 2]" 1
285 1 18 PHE H 1 28 ASN HD21 . . 5.500 5.439 5.320 5.577 0.077 10 0 "[ . 1 . 2]" 1
286 1 18 PHE H 1 28 ASN HD22 . . 5.200 4.756 4.631 4.987 . 0 0 "[ . 1 . 2]" 1
287 1 18 PHE H 1 43 VAL QG . . 5.280 5.078 5.001 5.225 . 0 0 "[ . 1 . 2]" 1
288 1 18 PHE HA 1 18 PHE QD . . 3.430 2.044 2.013 2.090 . 0 0 "[ . 1 . 2]" 1
289 1 18 PHE HA 1 18 PHE QE . . 4.520 4.369 4.357 4.386 . 0 0 "[ . 1 . 2]" 1
290 1 18 PHE HA 1 21 GLY H . . 3.870 3.165 3.047 3.329 . 0 0 "[ . 1 . 2]" 1
291 1 18 PHE HA 1 22 PHE H . . 3.550 3.156 2.920 3.459 . 0 0 "[ . 1 . 2]" 1
292 1 18 PHE HA 1 22 PHE HB2 . . 4.320 3.483 3.332 3.709 . 0 0 "[ . 1 . 2]" 1
293 1 18 PHE HA 1 23 CYS H . . 3.580 2.643 2.349 2.723 . 0 0 "[ . 1 . 2]" 1
294 1 18 PHE HA 1 23 CYS HA . . 3.880 3.816 3.489 3.894 0.014 20 0 "[ . 1 . 2]" 1
295 1 18 PHE HB2 1 19 GLU H . . 3.490 2.925 2.922 2.928 . 0 0 "[ . 1 . 2]" 1
296 1 18 PHE HB3 1 19 GLU H . . 4.100 3.961 3.937 3.971 . 0 0 "[ . 1 . 2]" 1
297 1 18 PHE HB3 1 19 GLU HA . . 4.700 4.620 4.573 4.644 . 0 0 "[ . 1 . 2]" 1
298 1 18 PHE HB3 1 23 CYS H . . 4.670 4.402 4.112 4.571 . 0 0 "[ . 1 . 2]" 1
299 1 18 PHE QD 1 22 PHE H . . 4.500 4.258 3.961 4.514 0.014 15 0 "[ . 1 . 2]" 1
300 1 18 PHE QD 1 23 CYS H . . 4.830 2.249 2.069 2.355 . 0 0 "[ . 1 . 2]" 1
301 1 18 PHE QD 1 23 CYS HA . . 3.820 2.470 2.019 2.655 . 0 0 "[ . 1 . 2]" 1
302 1 18 PHE QD 1 24 ASP H . . 5.290 3.163 2.737 3.745 . 0 0 "[ . 1 . 2]" 1
303 1 18 PHE QE 1 22 PHE HB2 . . 5.160 4.687 4.556 4.863 . 0 0 "[ . 1 . 2]" 1
304 1 18 PHE QE 1 22 PHE HB3 . . 5.160 5.150 4.994 5.193 0.033 8 0 "[ . 1 . 2]" 1
305 1 18 PHE QE 1 23 CYS H . . 3.830 3.793 3.532 3.849 0.019 16 0 "[ . 1 . 2]" 1
306 1 18 PHE QE 1 23 CYS HA . . 4.090 3.075 2.377 3.254 . 0 0 "[ . 1 . 2]" 1
307 1 18 PHE QE 1 23 CYS QB . . 5.340 4.924 4.315 5.185 . 0 0 "[ . 1 . 2]" 1
308 1 18 PHE QE 1 24 ASP H . . 4.910 2.482 2.090 3.287 . 0 0 "[ . 1 . 2]" 1
309 1 19 GLU H 1 19 GLU HB2 . . 3.580 2.439 2.183 3.491 . 0 0 "[ . 1 . 2]" 1
310 1 19 GLU H 1 19 GLU QB . . 2.960 2.219 2.143 2.283 . 0 0 "[ . 1 . 2]" 1
311 1 19 GLU H 1 19 GLU HB3 . . 3.580 3.328 2.163 3.556 . 0 0 "[ . 1 . 2]" 1
312 1 19 GLU H 1 19 GLU QG . . 3.190 2.710 2.540 2.911 . 0 0 "[ . 1 . 2]" 1
313 1 19 GLU H 1 20 MET H . . 3.160 2.603 2.523 2.695 . 0 0 "[ . 1 . 2]" 1
314 1 19 GLU H 1 21 GLY H . . 4.260 4.235 4.162 4.271 0.011 4 0 "[ . 1 . 2]" 1
315 1 19 GLU H 1 22 PHE H . . 5.450 5.331 5.179 5.438 . 0 0 "[ . 1 . 2]" 1
316 1 19 GLU H 1 43 VAL QG . . 5.440 5.374 5.259 5.455 0.015 2 0 "[ . 1 . 2]" 1
317 1 19 GLU HA 1 19 GLU QG . . 3.120 2.605 2.246 3.261 0.141 17 0 "[ . 1 . 2]" 1
318 1 19 GLU HA 1 21 GLY H . . 4.810 4.492 4.348 4.623 . 0 0 "[ . 1 . 2]" 1
319 1 19 GLU QB 1 20 MET H . . 3.300 3.055 2.954 3.445 0.145 18 0 "[ . 1 . 2]" 1
320 1 19 GLU QG 1 20 MET H . . 4.710 4.103 2.144 4.533 . 0 0 "[ . 1 . 2]" 1
321 1 20 MET H 1 20 MET QB . . 3.270 2.398 2.213 2.584 . 0 0 "[ . 1 . 2]" 1
322 1 20 MET H 1 20 MET QG . . 3.350 2.456 2.116 2.828 . 0 0 "[ . 1 . 2]" 1
323 1 20 MET H 1 21 GLY H . . 3.200 2.399 2.326 2.481 . 0 0 "[ . 1 . 2]" 1
324 1 20 MET H 1 21 GLY HA2 . . 5.110 4.692 4.607 4.781 . 0 0 "[ . 1 . 2]" 1
325 1 20 MET H 1 21 GLY QA . . 4.400 4.324 4.255 4.397 . 0 0 "[ . 1 . 2]" 1
326 1 20 MET H 1 21 GLY HA3 . . 5.110 5.065 5.002 5.135 0.025 18 0 "[ . 1 . 2]" 1
327 1 20 MET H 1 22 PHE H . . 3.860 3.783 3.670 3.868 0.008 1 0 "[ . 1 . 2]" 1
328 1 20 MET H 1 43 VAL QG . . 5.410 4.795 4.702 4.952 . 0 0 "[ . 1 . 2]" 1
329 1 20 MET HA 1 20 MET QG . . 3.350 2.671 2.202 3.071 . 0 0 "[ . 1 . 2]" 1
330 1 20 MET QB 1 22 PHE H . . 5.340 3.070 2.754 3.347 . 0 0 "[ . 1 . 2]" 1
331 1 20 MET HB2 1 21 GLY H . . 4.350 2.692 2.625 2.843 . 0 0 "[ . 1 . 2]" 1
332 1 20 MET HB3 1 21 GLY H . . 4.350 3.673 3.441 3.882 . 0 0 "[ . 1 . 2]" 1
333 1 20 MET QG 1 21 GLY H . . 4.670 4.061 3.786 4.324 . 0 0 "[ . 1 . 2]" 1
334 1 21 GLY H 1 22 PHE H . . 2.990 1.893 1.885 1.907 . 0 0 "[ . 1 . 2]" 1
335 1 21 GLY H 1 22 PHE HB2 . . 4.730 3.944 3.882 4.023 . 0 0 "[ . 1 . 2]" 1
336 1 21 GLY H 1 23 CYS H . . 4.210 4.062 3.949 4.139 . 0 0 "[ . 1 . 2]" 1
337 1 22 PHE H 1 22 PHE HB2 . . 3.460 2.371 2.283 2.459 . 0 0 "[ . 1 . 2]" 1
338 1 22 PHE H 1 46 LEU QD . . 5.040 5.050 4.992 5.101 0.061 8 0 "[ . 1 . 2]" 1
339 1 22 PHE HA 1 24 ASP H . . 5.040 4.841 4.051 5.046 0.006 13 0 "[ . 1 . 2]" 1
340 1 22 PHE HB2 1 23 CYS H . . 3.410 2.307 2.171 2.420 . 0 0 "[ . 1 . 2]" 1
341 1 22 PHE HB2 1 24 ASP H . . 4.490 3.423 3.138 3.587 . 0 0 "[ . 1 . 2]" 1
342 1 22 PHE HB2 1 46 LEU QD . . 4.560 3.342 3.210 3.534 . 0 0 "[ . 1 . 2]" 1
343 1 22 PHE HB3 1 23 CYS H . . 4.040 3.148 3.041 3.275 . 0 0 "[ . 1 . 2]" 1
344 1 22 PHE HB3 1 24 ASP H . . 4.420 3.177 2.456 3.457 . 0 0 "[ . 1 . 2]" 1
345 1 22 PHE HB3 1 46 LEU QD . . 5.180 2.793 2.637 3.021 . 0 0 "[ . 1 . 2]" 1
346 1 22 PHE QD 1 43 VAL QG . . 4.100 3.580 3.336 3.964 . 0 0 "[ . 1 . 2]" 1
347 1 22 PHE QD 1 47 LEU H . . 5.500 5.443 5.216 5.512 0.012 6 0 "[ . 1 . 2]" 1
348 1 22 PHE QD 1 47 LEU QD . . 4.290 4.265 4.103 4.298 0.008 11 0 "[ . 1 . 2]" 1
349 1 22 PHE QE 1 43 VAL HA . . 4.670 3.364 3.057 3.606 . 0 0 "[ . 1 . 2]" 1
350 1 22 PHE QE 1 43 VAL MG1 . . 3.940 2.138 1.899 2.645 . 0 0 "[ . 1 . 2]" 1
351 1 22 PHE QE 1 43 VAL MG2 . . 3.940 3.523 2.973 3.948 0.008 10 0 "[ . 1 . 2]" 1
352 1 22 PHE QE 1 47 LEU QD . . 3.620 2.658 2.342 2.864 . 0 0 "[ . 1 . 2]" 1
353 1 23 CYS H 1 23 CYS QB . . 3.490 3.194 2.955 3.413 . 0 0 "[ . 1 . 2]" 1
354 1 23 CYS H 1 24 ASP H . . 3.180 2.740 2.616 2.843 . 0 0 "[ . 1 . 2]" 1
355 1 23 CYS H 1 24 ASP QB . . 4.910 4.741 4.619 4.991 0.081 15 0 "[ . 1 . 2]" 1
356 1 23 CYS H 1 28 ASN HD22 . . 5.050 4.374 4.151 4.637 . 0 0 "[ . 1 . 2]" 1
357 1 24 ASP H 1 24 ASP HB2 . . 3.970 2.813 2.490 3.765 . 0 0 "[ . 1 . 2]" 1
358 1 24 ASP H 1 24 ASP QB . . 3.140 2.726 2.452 3.144 0.004 15 0 "[ . 1 . 2]" 1
359 1 24 ASP H 1 24 ASP HB3 . . 3.970 3.818 3.369 3.908 . 0 0 "[ . 1 . 2]" 1
360 1 24 ASP H 1 25 ARG H . . 4.110 3.493 3.386 3.784 . 0 0 "[ . 1 . 2]" 1
361 1 24 ASP H 1 25 ARG HA . . 4.780 4.394 4.275 4.775 . 0 0 "[ . 1 . 2]" 1
362 1 24 ASP H 1 27 LEU H . . 5.300 5.258 5.088 5.344 0.044 8 0 "[ . 1 . 2]" 1
363 1 24 ASP H 1 27 LEU HB2 . . 4.980 4.806 4.549 4.908 . 0 0 "[ . 1 . 2]" 1
364 1 24 ASP H 1 27 LEU QD . . 5.130 4.793 4.533 4.904 . 0 0 "[ . 1 . 2]" 1
365 1 24 ASP H 1 28 ASN HD21 . . 4.980 4.218 4.048 4.996 0.016 10 0 "[ . 1 . 2]" 1
366 1 24 ASP H 1 28 ASN HD22 . . 4.340 2.750 2.576 3.323 . 0 0 "[ . 1 . 2]" 1
367 1 24 ASP HA 1 25 ARG H . . 3.020 2.347 2.342 2.350 . 0 0 "[ . 1 . 2]" 1
368 1 24 ASP HA 1 25 ARG HA . . 4.580 4.557 4.550 4.565 . 0 0 "[ . 1 . 2]" 1
369 1 24 ASP HA 1 26 GLN H . . 4.280 3.272 3.247 3.307 . 0 0 "[ . 1 . 2]" 1
370 1 24 ASP HA 1 27 LEU H . . 5.180 3.931 3.861 3.989 . 0 0 "[ . 1 . 2]" 1
371 1 24 ASP QB 1 26 GLN H . . 5.320 3.555 3.463 3.677 . 0 0 "[ . 1 . 2]" 1
372 1 24 ASP QB 1 27 LEU H . . 3.580 2.493 2.396 2.644 . 0 0 "[ . 1 . 2]" 1
373 1 24 ASP QB 1 27 LEU HA . . 4.500 4.308 4.210 4.399 . 0 0 "[ . 1 . 2]" 1
374 1 24 ASP QB 1 27 LEU HB2 . . 4.260 1.951 1.904 2.038 . 0 0 "[ . 1 . 2]" 1
375 1 24 ASP QB 1 27 LEU HB3 . . 4.270 3.277 3.187 3.570 . 0 0 "[ . 1 . 2]" 1
376 1 24 ASP QB 1 27 LEU QD . . 3.600 2.148 2.022 2.243 . 0 0 "[ . 1 . 2]" 1
377 1 24 ASP QB 1 28 ASN H . . 4.190 3.430 3.320 3.744 . 0 0 "[ . 1 . 2]" 1
378 1 24 ASP HB2 1 25 ARG H . . 4.730 4.461 4.167 4.512 . 0 0 "[ . 1 . 2]" 1
379 1 24 ASP HB2 1 27 LEU H . . 4.090 3.460 2.422 3.670 . 0 0 "[ . 1 . 2]" 1
380 1 24 ASP HB2 1 27 LEU HB2 . . 4.870 2.291 1.943 2.491 . 0 0 "[ . 1 . 2]" 1
381 1 24 ASP HB2 1 27 LEU HB3 . . 4.860 3.549 3.405 3.716 . 0 0 "[ . 1 . 2]" 1
382 1 24 ASP HB2 1 27 LEU HG . . 5.500 4.937 4.371 5.120 . 0 0 "[ . 1 . 2]" 1
383 1 24 ASP HB3 1 25 ARG H . . 4.730 4.199 4.171 4.559 . 0 0 "[ . 1 . 2]" 1
384 1 24 ASP HB3 1 27 LEU H . . 4.090 2.639 2.446 4.155 0.065 15 0 "[ . 1 . 2]" 1
385 1 24 ASP HB3 1 27 LEU HB2 . . 4.870 2.180 2.002 3.409 . 0 0 "[ . 1 . 2]" 1
386 1 24 ASP HB3 1 27 LEU HB3 . . 4.860 3.879 3.714 4.918 0.058 15 0 "[ . 1 . 2]" 1
387 1 24 ASP HB3 1 27 LEU HG . . 5.500 4.604 4.431 5.526 0.026 15 0 "[ . 1 . 2]" 1
388 1 25 ARG H 1 25 ARG HB2 . . 3.740 3.573 3.560 3.589 . 0 0 "[ . 1 . 2]" 1
389 1 25 ARG H 1 25 ARG QB . . 3.030 2.397 2.301 2.614 . 0 0 "[ . 1 . 2]" 1
390 1 25 ARG H 1 25 ARG HB3 . . 3.740 2.438 2.330 2.686 . 0 0 "[ . 1 . 2]" 1
391 1 25 ARG H 1 25 ARG QD . . 4.910 3.111 1.877 4.129 . 0 0 "[ . 1 . 2]" 1
392 1 25 ARG H 1 25 ARG HG2 . . 4.490 3.215 2.381 3.568 . 0 0 "[ . 1 . 2]" 1
393 1 25 ARG H 1 25 ARG QG . . 3.650 2.732 2.146 3.302 . 0 0 "[ . 1 . 2]" 1
394 1 25 ARG H 1 25 ARG HG3 . . 4.490 3.090 2.210 3.902 . 0 0 "[ . 1 . 2]" 1
395 1 25 ARG H 1 26 GLN QB . . 4.850 4.731 4.595 4.891 0.041 3 0 "[ . 1 . 2]" 1
396 1 25 ARG H 1 27 LEU H . . 4.540 4.367 4.177 4.525 . 0 0 "[ . 1 . 2]" 1
397 1 25 ARG HA 1 25 ARG QD . . 4.190 3.808 3.599 4.190 0.000 20 0 "[ . 1 . 2]" 1
398 1 25 ARG HA 1 28 ASN H . . 3.800 3.707 3.599 3.806 0.006 9 0 "[ . 1 . 2]" 1
399 1 25 ARG HA 1 28 ASN HB2 . . 3.610 3.123 3.061 3.303 . 0 0 "[ . 1 . 2]" 1
400 1 25 ARG QB 1 26 GLN H . . 3.750 3.566 3.520 3.589 . 0 0 "[ . 1 . 2]" 1
401 1 25 ARG HB2 1 26 GLN H . . 4.270 4.020 3.811 4.116 . 0 0 "[ . 1 . 2]" 1
402 1 25 ARG HB3 1 26 GLN H . . 4.270 3.999 3.915 4.138 . 0 0 "[ . 1 . 2]" 1
403 1 25 ARG QD 1 26 GLN H . . 4.640 2.678 1.927 3.948 . 0 0 "[ . 1 . 2]" 1
404 1 25 ARG QD 1 26 GLN HA . . 4.690 3.543 2.513 4.142 . 0 0 "[ . 1 . 2]" 1
405 1 25 ARG QD 1 26 GLN QB . . 4.220 3.603 2.931 4.103 . 0 0 "[ . 1 . 2]" 1
406 1 25 ARG QG 1 26 GLN H . . 3.640 2.366 2.058 2.670 . 0 0 "[ . 1 . 2]" 1
407 1 25 ARG QG 1 26 GLN QG . . 4.820 3.116 2.478 4.481 . 0 0 "[ . 1 . 2]" 1
408 1 26 GLN H 1 26 GLN QB . . 2.930 2.427 2.347 2.658 . 0 0 "[ . 1 . 2]" 1
409 1 26 GLN H 1 26 GLN HG2 . . 3.770 2.739 1.942 3.091 . 0 0 "[ . 1 . 2]" 1
410 1 26 GLN H 1 26 GLN QG . . 3.230 2.368 1.912 2.579 . 0 0 "[ . 1 . 2]" 1
411 1 26 GLN H 1 26 GLN HG3 . . 3.770 2.947 2.257 3.773 0.003 7 0 "[ . 1 . 2]" 1
412 1 26 GLN H 1 27 LEU H . . 2.920 2.566 2.511 2.623 . 0 0 "[ . 1 . 2]" 1
413 1 26 GLN H 1 27 LEU MD1 . . 5.500 4.119 3.988 4.353 . 0 0 "[ . 1 . 2]" 1
414 1 26 GLN H 1 27 LEU MD2 . . 5.500 5.553 5.528 5.573 0.073 6 0 "[ . 1 . 2]" 1
415 1 26 GLN H 1 28 ASN H . . 4.310 4.273 4.226 4.333 0.023 18 0 "[ . 1 . 2]" 1
416 1 26 GLN HA 1 26 GLN HG2 . . 3.630 2.880 2.346 3.739 0.109 3 0 "[ . 1 . 2]" 1
417 1 26 GLN HA 1 26 GLN QG . . 3.150 2.709 2.316 3.330 0.180 3 0 "[ . 1 . 2]" 1
418 1 26 GLN HA 1 26 GLN HG3 . . 3.630 3.571 3.367 3.737 0.107 3 0 "[ . 1 . 2]" 1
419 1 26 GLN QB 1 27 LEU H . . 3.770 2.823 2.382 3.499 . 0 0 "[ . 1 . 2]" 1
420 1 26 GLN QG 1 27 LEU H . . 4.070 3.317 2.061 4.073 0.003 17 0 "[ . 1 . 2]" 1
421 1 26 GLN HG2 1 27 LEU H . . 4.770 3.851 2.173 4.760 . 0 0 "[ . 1 . 2]" 1
422 1 26 GLN HG3 1 27 LEU H . . 4.770 3.767 2.106 4.551 . 0 0 "[ . 1 . 2]" 1
423 1 27 LEU H 1 27 LEU HB2 . . 3.160 2.111 2.090 2.130 . 0 0 "[ . 1 . 2]" 1
424 1 27 LEU H 1 27 LEU HB3 . . 3.770 3.426 3.409 3.437 . 0 0 "[ . 1 . 2]" 1
425 1 27 LEU H 1 27 LEU QD . . 3.530 2.342 2.243 2.526 . 0 0 "[ . 1 . 2]" 1
426 1 27 LEU H 1 27 LEU HG . . 4.130 4.240 4.200 4.299 0.169 19 0 "[ . 1 . 2]" 1
427 1 27 LEU H 1 28 ASN H . . 2.940 2.708 2.596 2.814 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU H 1 28 ASN HB2 . . 5.230 5.082 4.927 5.219 . 0 0 "[ . 1 . 2]" 1
429 1 27 LEU H 1 30 ARG QB . . 5.500 5.504 5.350 5.533 0.033 7 0 "[ . 1 . 2]" 1
430 1 27 LEU H 1 31 LEU MD2 . . 5.370 5.196 5.091 5.322 . 0 0 "[ . 1 . 2]" 1
431 1 27 LEU H 1 46 LEU QD . . 5.070 4.374 4.275 4.460 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU HA 1 27 LEU MD1 . . 3.920 2.262 2.143 2.338 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU HA 1 27 LEU QD . . 2.610 2.245 2.132 2.318 . 0 0 "[ . 1 . 2]" 1
434 1 27 LEU HA 1 27 LEU MD2 . . 3.920 3.798 3.790 3.801 . 0 0 "[ . 1 . 2]" 1
435 1 27 LEU HA 1 27 LEU HG . . 3.590 2.601 2.564 2.656 . 0 0 "[ . 1 . 2]" 1
436 1 27 LEU HA 1 30 ARG QD . . 4.130 3.963 3.868 4.051 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU HA 1 30 ARG QG . . 3.390 2.303 2.079 2.370 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU HA 1 31 LEU MD2 . . 3.260 3.162 3.084 3.276 0.016 4 0 "[ . 1 . 2]" 1
439 1 27 LEU HA 1 46 LEU QD . . 4.290 3.937 3.812 4.026 . 0 0 "[ . 1 . 2]" 1
440 1 27 LEU HB2 1 28 ASN H . . 3.200 2.694 2.654 2.750 . 0 0 "[ . 1 . 2]" 1
441 1 27 LEU HB3 1 27 LEU QD . . 3.110 2.373 2.289 2.412 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU HB3 1 28 ASN H . . 3.490 2.893 2.826 2.949 . 0 0 "[ . 1 . 2]" 1
443 1 27 LEU HB3 1 29 LEU H . . 5.210 4.874 4.841 4.893 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU HB3 1 31 LEU H . . 5.500 4.807 4.773 4.864 . 0 0 "[ . 1 . 2]" 1
445 1 27 LEU HB3 1 31 LEU MD2 . . 4.290 2.850 2.651 3.135 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU HB3 1 46 LEU QD . . 3.570 2.061 1.910 2.218 . 0 0 "[ . 1 . 2]" 1
447 1 27 LEU QD 1 28 ASN H . . 4.690 3.864 3.848 3.894 . 0 0 "[ . 1 . 2]" 1
448 1 27 LEU QD 1 30 ARG QD . . 4.180 4.219 4.198 4.256 0.076 19 0 "[ . 1 . 2]" 1
449 1 27 LEU QD 1 46 LEU HA . . 3.580 3.596 3.571 3.620 0.040 9 0 "[ . 1 . 2]" 1
450 1 27 LEU QD 1 46 LEU QD . . 2.860 2.313 1.896 2.582 . 0 0 "[ . 1 . 2]" 1
451 1 27 LEU HG 1 28 ASN H . . 5.040 4.925 4.895 4.954 . 0 0 "[ . 1 . 2]" 1
452 1 27 LEU HG 1 31 LEU H . . 5.500 5.542 5.501 5.557 0.057 5 0 "[ . 1 . 2]" 1
453 1 27 LEU HG 1 31 LEU MD2 . . 4.950 2.907 2.687 3.036 . 0 0 "[ . 1 . 2]" 1
454 1 27 LEU HG 1 46 LEU QD . . 4.690 3.137 2.882 3.372 . 0 0 "[ . 1 . 2]" 1
455 1 28 ASN H 1 28 ASN HB2 . . 3.360 2.814 2.786 2.917 . 0 0 "[ . 1 . 2]" 1
456 1 28 ASN H 1 28 ASN HB3 . . 3.620 3.553 3.519 3.561 . 0 0 "[ . 1 . 2]" 1
457 1 28 ASN H 1 28 ASN HD21 . . 4.260 3.425 2.896 3.641 . 0 0 "[ . 1 . 2]" 1
458 1 28 ASN H 1 28 ASN HD22 . . 4.440 3.552 3.148 3.649 . 0 0 "[ . 1 . 2]" 1
459 1 28 ASN H 1 29 LEU H . . 3.240 2.736 2.721 2.748 . 0 0 "[ . 1 . 2]" 1
460 1 28 ASN H 1 31 LEU MD2 . . 5.500 4.536 4.439 4.660 . 0 0 "[ . 1 . 2]" 1
461 1 28 ASN H 1 42 VAL MG1 . . 5.500 4.508 4.414 4.632 . 0 0 "[ . 1 . 2]" 1
462 1 28 ASN H 1 46 LEU MD1 . . 5.140 3.910 3.431 4.224 . 0 0 "[ . 1 . 2]" 1
463 1 28 ASN H 1 46 LEU QD . . 4.200 3.227 3.147 3.342 . 0 0 "[ . 1 . 2]" 1
464 1 28 ASN H 1 46 LEU MD2 . . 5.140 3.559 3.266 4.056 . 0 0 "[ . 1 . 2]" 1
465 1 28 ASN HA 1 31 LEU HB2 . . 4.400 2.535 2.482 2.657 . 0 0 "[ . 1 . 2]" 1
466 1 28 ASN HA 1 31 LEU QB . . 3.660 2.486 2.437 2.601 . 0 0 "[ . 1 . 2]" 1
467 1 28 ASN HA 1 31 LEU HB3 . . 4.400 3.596 3.528 3.710 . 0 0 "[ . 1 . 2]" 1
468 1 28 ASN HA 1 31 LEU HG . . 4.980 4.090 4.026 4.204 . 0 0 "[ . 1 . 2]" 1
469 1 28 ASN HA 1 32 LEU H . . 4.360 3.761 3.700 3.845 . 0 0 "[ . 1 . 2]" 1
470 1 28 ASN HA 1 46 LEU MD1 . . 4.960 3.322 2.960 3.567 . 0 0 "[ . 1 . 2]" 1
471 1 28 ASN HA 1 46 LEU QD . . 4.190 2.985 2.855 3.093 . 0 0 "[ . 1 . 2]" 1
472 1 28 ASN HA 1 46 LEU MD2 . . 4.960 3.458 3.099 3.755 . 0 0 "[ . 1 . 2]" 1
473 1 28 ASN HB2 1 29 LEU H . . 3.540 2.917 2.905 2.934 . 0 0 "[ . 1 . 2]" 1
474 1 28 ASN HB2 1 29 LEU HA . . 4.490 4.134 4.077 4.158 . 0 0 "[ . 1 . 2]" 1
475 1 28 ASN HB2 1 29 LEU QB . . 4.790 4.026 3.989 4.048 . 0 0 "[ . 1 . 2]" 1
476 1 28 ASN HB3 1 29 LEU H . . 4.360 4.082 4.061 4.133 . 0 0 "[ . 1 . 2]" 1
477 1 28 ASN HD21 1 29 LEU H . . 5.080 4.589 4.493 4.971 . 0 0 "[ . 1 . 2]" 1
478 1 28 ASN HD22 1 29 LEU H . . 5.500 5.558 5.529 5.643 0.143 10 0 "[ . 1 . 2]" 1
479 1 29 LEU H 1 29 LEU HA . . 2.930 2.863 2.857 2.871 . 0 0 "[ . 1 . 2]" 1
480 1 29 LEU H 1 29 LEU QB . . 2.710 2.201 2.184 2.253 . 0 0 "[ . 1 . 2]" 1
481 1 29 LEU H 1 29 LEU MD1 . . 4.320 4.226 4.073 4.252 . 0 0 "[ . 1 . 2]" 1
482 1 29 LEU H 1 29 LEU MD2 . . 4.320 3.755 3.679 4.292 . 0 0 "[ . 1 . 2]" 1
483 1 29 LEU H 1 30 ARG H . . 3.030 2.604 2.578 2.624 . 0 0 "[ . 1 . 2]" 1
484 1 29 LEU H 1 30 ARG QB . . 4.700 4.620 4.556 4.653 . 0 0 "[ . 1 . 2]" 1
485 1 29 LEU H 1 31 LEU H . . 4.610 3.690 3.664 3.703 . 0 0 "[ . 1 . 2]" 1
486 1 29 LEU H 1 31 LEU MD2 . . 5.500 4.984 4.909 5.092 . 0 0 "[ . 1 . 2]" 1
487 1 29 LEU H 1 32 LEU H . . 4.890 4.610 4.577 4.640 . 0 0 "[ . 1 . 2]" 1
488 1 29 LEU H 1 42 VAL MG1 . . 5.500 5.039 4.945 5.128 . 0 0 "[ . 1 . 2]" 1
489 1 29 LEU HA 1 29 LEU QB . . 2.670 2.446 2.324 2.462 . 0 0 "[ . 1 . 2]" 1
490 1 29 LEU HA 1 29 LEU MD1 . . 3.410 2.658 1.929 3.171 . 0 0 "[ . 1 . 2]" 1
491 1 29 LEU HA 1 29 LEU QD . . 2.590 1.967 1.919 2.051 . 0 0 "[ . 1 . 2]" 1
492 1 29 LEU HA 1 29 LEU MD2 . . 3.410 2.108 1.935 3.648 0.238 20 0 "[ . 1 . 2]" 1
493 1 29 LEU HA 1 32 LEU H . . 3.720 3.690 3.632 3.723 0.003 5 0 "[ . 1 . 2]" 1
494 1 29 LEU HA 1 32 LEU HB2 . . 4.560 2.947 2.858 2.997 . 0 0 "[ . 1 . 2]" 1
495 1 29 LEU HA 1 32 LEU HB3 . . 4.870 4.528 4.441 4.597 . 0 0 "[ . 1 . 2]" 1
496 1 29 LEU HA 1 32 LEU QD . . 3.470 2.860 2.640 2.983 . 0 0 "[ . 1 . 2]" 1
497 1 29 LEU HA 1 33 LYS H . . 4.530 4.390 4.272 4.461 . 0 0 "[ . 1 . 2]" 1
498 1 29 LEU QB 1 29 LEU MD1 . . 2.960 2.215 2.087 2.458 . 0 0 "[ . 1 . 2]" 1
499 1 29 LEU QB 1 29 LEU MD2 . . 2.960 2.259 2.051 2.360 . 0 0 "[ . 1 . 2]" 1
500 1 29 LEU QB 1 30 ARG H . . 2.890 2.308 2.296 2.328 . 0 0 "[ . 1 . 2]" 1
501 1 29 LEU QD 1 30 ARG H . . 3.630 3.299 2.803 3.672 0.042 20 0 "[ . 1 . 2]" 1
502 1 29 LEU QD 1 31 LEU H . . 5.440 4.526 4.300 4.709 . 0 0 "[ . 1 . 2]" 1
503 1 29 LEU QD 1 32 LEU H . . 5.050 4.386 4.346 4.438 . 0 0 "[ . 1 . 2]" 1
504 1 29 LEU QD 1 33 LYS QD . . 4.270 3.466 3.101 3.754 . 0 0 "[ . 1 . 2]" 1
505 1 29 LEU QD 1 33 LYS QE . . 3.690 2.941 2.013 3.659 . 0 0 "[ . 1 . 2]" 1
506 1 29 LEU QD 1 37 TYR QE . . 5.210 4.831 4.585 4.945 . 0 0 "[ . 1 . 2]" 1
507 1 29 LEU MD1 1 30 ARG H . . 4.810 3.392 2.839 3.933 . 0 0 "[ . 1 . 2]" 1
508 1 29 LEU MD1 1 33 LYS QD . . 5.160 3.574 3.159 3.855 . 0 0 "[ . 1 . 2]" 1
509 1 29 LEU MD1 1 33 LYS QE . . 4.490 3.052 2.033 3.877 . 0 0 "[ . 1 . 2]" 1
510 1 29 LEU MD2 1 30 ARG H . . 4.810 4.552 4.322 4.590 . 0 0 "[ . 1 . 2]" 1
511 1 29 LEU MD2 1 33 LYS QD . . 5.160 4.812 3.494 5.178 0.018 20 0 "[ . 1 . 2]" 1
512 1 29 LEU MD2 1 33 LYS QE . . 4.490 3.947 3.243 4.496 0.006 18 0 "[ . 1 . 2]" 1
513 1 30 ARG H 1 30 ARG QB . . 2.730 2.286 2.254 2.340 . 0 0 "[ . 1 . 2]" 1
514 1 30 ARG H 1 30 ARG QD . . 4.390 4.260 4.225 4.295 . 0 0 "[ . 1 . 2]" 1
515 1 30 ARG H 1 30 ARG HG2 . . 4.000 3.413 3.176 3.465 . 0 0 "[ . 1 . 2]" 1
516 1 30 ARG H 1 30 ARG QG . . 3.490 2.611 2.544 2.667 . 0 0 "[ . 1 . 2]" 1
517 1 30 ARG H 1 30 ARG HG3 . . 4.000 2.711 2.666 2.773 . 0 0 "[ . 1 . 2]" 1
518 1 30 ARG H 1 31 LEU H . . 3.050 2.560 2.544 2.600 . 0 0 "[ . 1 . 2]" 1
519 1 30 ARG H 1 31 LEU MD2 . . 4.470 4.138 4.064 4.240 . 0 0 "[ . 1 . 2]" 1
520 1 30 ARG H 1 32 LEU H . . 4.440 4.366 4.284 4.418 . 0 0 "[ . 1 . 2]" 1
521 1 30 ARG HA 1 30 ARG QD . . 4.050 3.686 3.627 3.727 . 0 0 "[ . 1 . 2]" 1
522 1 30 ARG HA 1 30 ARG QG . . 3.670 3.416 3.385 3.419 . 0 0 "[ . 1 . 2]" 1
523 1 30 ARG HA 1 32 LEU H . . 4.890 4.672 4.565 4.748 . 0 0 "[ . 1 . 2]" 1
524 1 30 ARG HA 1 33 LYS H . . 4.120 3.870 3.762 3.970 . 0 0 "[ . 1 . 2]" 1
525 1 30 ARG HA 1 33 LYS QB . . 3.700 3.315 3.098 3.462 . 0 0 "[ . 1 . 2]" 1
526 1 30 ARG HA 1 33 LYS QD . . 5.290 5.175 4.643 5.352 0.062 13 0 "[ . 1 . 2]" 1
527 1 30 ARG HA 1 33 LYS HG2 . . 4.860 4.405 3.551 4.809 . 0 0 "[ . 1 . 2]" 1
528 1 30 ARG HA 1 33 LYS HG3 . . 4.310 3.518 3.211 4.150 . 0 0 "[ . 1 . 2]" 1
529 1 30 ARG HA 1 34 LYS H . . 4.780 4.583 4.514 4.661 . 0 0 "[ . 1 . 2]" 1
530 1 30 ARG QB 1 30 ARG QD . . 3.380 2.472 1.929 2.535 . 0 0 "[ . 1 . 2]" 1
531 1 30 ARG QB 1 31 LEU H . . 3.710 3.532 3.517 3.561 . 0 0 "[ . 1 . 2]" 1
532 1 30 ARG QD 1 31 LEU H . . 4.660 3.322 3.289 3.474 . 0 0 "[ . 1 . 2]" 1
533 1 30 ARG QD 1 31 LEU MD2 . . 4.670 1.966 1.886 2.007 . 0 0 "[ . 1 . 2]" 1
534 1 30 ARG QD 1 31 LEU HG . . 4.530 4.523 4.490 4.553 0.023 19 0 "[ . 1 . 2]" 1
535 1 30 ARG QD 1 32 LEU H . . 5.500 5.150 5.083 5.425 . 0 0 "[ . 1 . 2]" 1
536 1 30 ARG QG 1 31 LEU H . . 3.650 2.094 2.060 2.102 . 0 0 "[ . 1 . 2]" 1
537 1 30 ARG QG 1 31 LEU MD2 . . 3.580 1.954 1.936 2.035 . 0 0 "[ . 1 . 2]" 1
538 1 30 ARG QG 1 32 LEU H . . 4.570 4.557 4.517 4.578 0.008 18 0 "[ . 1 . 2]" 1
539 1 30 ARG HG2 1 31 LEU H . . 4.340 3.808 3.727 3.819 . 0 0 "[ . 1 . 2]" 1
540 1 30 ARG HG3 1 31 LEU H . . 4.340 2.103 2.070 2.112 . 0 0 "[ . 1 . 2]" 1
541 1 31 LEU H 1 31 LEU HB2 . . 3.950 2.085 2.080 2.089 . 0 0 "[ . 1 . 2]" 1
542 1 31 LEU H 1 31 LEU QB . . 3.360 2.066 2.061 2.070 . 0 0 "[ . 1 . 2]" 1
543 1 31 LEU H 1 31 LEU HB3 . . 3.950 3.366 3.348 3.374 . 0 0 "[ . 1 . 2]" 1
544 1 31 LEU H 1 31 LEU MD1 . . 4.140 4.054 4.031 4.093 . 0 0 "[ . 1 . 2]" 1
545 1 31 LEU H 1 31 LEU MD2 . . 3.060 2.548 2.491 2.609 . 0 0 "[ . 1 . 2]" 1
546 1 31 LEU H 1 31 LEU HG . . 4.520 4.268 4.230 4.291 . 0 0 "[ . 1 . 2]" 1
547 1 31 LEU H 1 32 LEU H . . 3.300 2.588 2.552 2.604 . 0 0 "[ . 1 . 2]" 1
548 1 31 LEU H 1 33 LYS H . . 4.440 4.262 4.157 4.371 . 0 0 "[ . 1 . 2]" 1
549 1 31 LEU H 1 34 LYS H . . 4.760 4.666 4.644 4.709 . 0 0 "[ . 1 . 2]" 1
550 1 31 LEU H 1 46 LEU QD . . 4.550 4.394 4.294 4.493 . 0 0 "[ . 1 . 2]" 1
551 1 31 LEU HA 1 31 LEU MD1 . . 2.910 2.009 1.960 2.031 . 0 0 "[ . 1 . 2]" 1
552 1 31 LEU HA 1 31 LEU MD2 . . 3.710 2.466 2.389 2.539 . 0 0 "[ . 1 . 2]" 1
553 1 31 LEU HA 1 32 LEU HA . . 5.120 4.858 4.836 4.866 . 0 0 "[ . 1 . 2]" 1
554 1 31 LEU HA 1 34 LYS H . . 3.440 3.329 3.280 3.361 . 0 0 "[ . 1 . 2]" 1
555 1 31 LEU HA 1 34 LYS HB2 . . 4.620 2.950 2.742 3.490 . 0 0 "[ . 1 . 2]" 1
556 1 31 LEU HA 1 34 LYS QB . . 4.020 2.395 2.282 2.491 . 0 0 "[ . 1 . 2]" 1
557 1 31 LEU HA 1 34 LYS HB3 . . 4.620 2.555 2.314 2.649 . 0 0 "[ . 1 . 2]" 1
558 1 31 LEU HA 1 35 HIS H . . 4.210 4.174 4.038 4.231 0.021 9 0 "[ . 1 . 2]" 1
559 1 31 LEU HA 1 35 HIS HD2 . . 3.870 3.621 3.346 3.757 . 0 0 "[ . 1 . 2]" 1
560 1 31 LEU HA 1 42 VAL HA . . 4.750 4.768 4.707 4.804 0.054 18 0 "[ . 1 . 2]" 1
561 1 31 LEU QB 1 32 LEU H . . 3.930 2.568 2.529 2.632 . 0 0 "[ . 1 . 2]" 1
562 1 31 LEU QB 1 34 LYS H . . 5.250 4.565 4.537 4.612 . 0 0 "[ . 1 . 2]" 1
563 1 31 LEU QB 1 35 HIS HD2 . . 3.740 2.764 2.584 2.870 . 0 0 "[ . 1 . 2]" 1
564 1 31 LEU QB 1 42 VAL HA . . 3.640 2.674 2.621 2.722 . 0 0 "[ . 1 . 2]" 1
565 1 31 LEU QB 1 42 VAL MG1 . . 3.480 1.896 1.850 1.924 . 0 0 "[ . 1 . 2]" 1
566 1 31 LEU HB2 1 42 VAL HA . . 4.260 4.189 4.101 4.250 . 0 0 "[ . 1 . 2]" 1
567 1 31 LEU HB2 1 42 VAL MG1 . . 4.150 2.410 2.363 2.506 . 0 0 "[ . 1 . 2]" 1
568 1 31 LEU HB2 1 42 VAL MG2 . . 4.190 3.292 3.231 3.435 . 0 0 "[ . 1 . 2]" 1
569 1 31 LEU HB3 1 42 VAL HA . . 4.260 2.705 2.652 2.756 . 0 0 "[ . 1 . 2]" 1
570 1 31 LEU HB3 1 42 VAL MG1 . . 4.150 1.984 1.924 2.003 . 0 0 "[ . 1 . 2]" 1
571 1 31 LEU HB3 1 42 VAL MG2 . . 4.190 1.993 1.958 2.112 . 0 0 "[ . 1 . 2]" 1
572 1 31 LEU MD1 1 32 LEU H . . 4.630 4.376 4.343 4.422 . 0 0 "[ . 1 . 2]" 1
573 1 31 LEU MD1 1 32 LEU HA . . 5.150 4.852 4.810 4.890 . 0 0 "[ . 1 . 2]" 1
574 1 31 LEU MD1 1 34 LYS H . . 4.280 4.325 4.277 4.358 0.078 6 0 "[ . 1 . 2]" 1
575 1 31 LEU MD1 1 34 LYS QB . . 3.900 2.672 2.626 2.807 . 0 0 "[ . 1 . 2]" 1
576 1 31 LEU MD1 1 34 LYS HD2 . . 4.100 2.921 2.578 3.428 . 0 0 "[ . 1 . 2]" 1
577 1 31 LEU MD1 1 34 LYS QD . . 3.500 2.581 2.121 3.027 . 0 0 "[ . 1 . 2]" 1
578 1 31 LEU MD1 1 34 LYS HD3 . . 4.100 3.249 2.147 4.137 0.037 6 0 "[ . 1 . 2]" 1
579 1 31 LEU MD1 1 34 LYS HE2 . . 4.940 4.162 1.902 4.953 0.013 5 0 "[ . 1 . 2]" 1
580 1 31 LEU MD1 1 34 LYS QE . . 4.350 3.770 1.861 4.209 . 0 0 "[ . 1 . 2]" 1
581 1 31 LEU MD1 1 34 LYS HE3 . . 4.940 4.497 2.645 4.952 0.012 2 0 "[ . 1 . 2]" 1
582 1 31 LEU MD1 1 35 HIS H . . 4.170 4.026 3.879 4.153 . 0 0 "[ . 1 . 2]" 1
583 1 31 LEU MD1 1 35 HIS HA . . 5.460 5.422 5.149 5.488 0.028 18 0 "[ . 1 . 2]" 1
584 1 31 LEU MD1 1 35 HIS HB3 . . 5.500 5.336 5.107 5.410 . 0 0 "[ . 1 . 2]" 1
585 1 31 LEU MD1 1 35 HIS HD2 . . 3.210 2.283 2.073 2.446 . 0 0 "[ . 1 . 2]" 1
586 1 31 LEU MD1 1 42 VAL HA . . 3.280 2.485 2.268 2.602 . 0 0 "[ . 1 . 2]" 1
587 1 31 LEU MD1 1 45 GLU H . . 4.240 3.986 3.705 4.176 . 0 0 "[ . 1 . 2]" 1
588 1 31 LEU MD1 1 45 GLU QB . . 3.290 2.000 1.896 2.056 . 0 0 "[ . 1 . 2]" 1
589 1 31 LEU MD1 1 45 GLU QG . . 4.050 2.065 1.888 2.525 . 0 0 "[ . 1 . 2]" 1
590 1 31 LEU MD2 1 45 GLU QG . . 4.660 3.185 2.909 3.604 . 0 0 "[ . 1 . 2]" 1
591 1 31 LEU MD2 1 46 LEU H . . 4.490 4.484 4.308 4.532 0.042 11 0 "[ . 1 . 2]" 1
592 1 31 LEU MD2 1 46 LEU HA . . 4.420 4.400 4.276 4.452 0.032 18 0 "[ . 1 . 2]" 1
593 1 31 LEU MD2 1 46 LEU HG . . 4.320 3.928 3.819 4.048 . 0 0 "[ . 1 . 2]" 1
594 1 31 LEU HG 1 46 LEU H . . 4.090 3.748 3.606 3.821 . 0 0 "[ . 1 . 2]" 1
595 1 32 LEU H 1 32 LEU HB2 . . 3.180 2.235 2.209 2.258 . 0 0 "[ . 1 . 2]" 1
596 1 32 LEU H 1 32 LEU HB3 . . 3.560 3.524 3.510 3.535 . 0 0 "[ . 1 . 2]" 1
597 1 32 LEU H 1 32 LEU MD1 . . 4.200 3.580 3.387 3.673 . 0 0 "[ . 1 . 2]" 1
598 1 32 LEU H 1 32 LEU MD2 . . 4.200 3.904 3.847 4.004 . 0 0 "[ . 1 . 2]" 1
599 1 32 LEU H 1 32 LEU HG . . 3.210 2.789 2.728 2.832 . 0 0 "[ . 1 . 2]" 1
600 1 32 LEU H 1 33 LYS H . . 3.280 2.913 2.820 2.973 . 0 0 "[ . 1 . 2]" 1
601 1 32 LEU H 1 33 LYS HA . . 5.500 5.464 5.400 5.503 0.003 9 0 "[ . 1 . 2]" 1
602 1 32 LEU H 1 33 LYS HG2 . . 5.140 4.699 4.360 4.970 . 0 0 "[ . 1 . 2]" 1
603 1 32 LEU H 1 34 LYS H . . 4.410 3.921 3.895 3.990 . 0 0 "[ . 1 . 2]" 1
604 1 32 LEU H 1 35 HIS HD2 . . 5.000 4.584 4.467 4.697 . 0 0 "[ . 1 . 2]" 1
605 1 32 LEU H 1 37 TYR H . . 5.500 5.588 5.557 5.605 0.105 1 0 "[ . 1 . 2]" 1
606 1 32 LEU H 1 42 VAL HA . . 5.500 5.374 5.288 5.449 . 0 0 "[ . 1 . 2]" 1
607 1 32 LEU H 1 42 VAL HB . . 5.500 5.492 5.366 5.520 0.020 13 0 "[ . 1 . 2]" 1
608 1 32 LEU H 1 42 VAL MG1 . . 3.140 3.139 3.031 3.159 0.019 9 0 "[ . 1 . 2]" 1
609 1 32 LEU H 1 42 VAL MG2 . . 3.240 2.815 2.710 2.859 . 0 0 "[ . 1 . 2]" 1
610 1 32 LEU H 1 46 LEU QD . . 5.440 5.212 5.107 5.319 . 0 0 "[ . 1 . 2]" 1
611 1 32 LEU HA 1 32 LEU MD1 . . 4.420 3.823 3.814 3.831 . 0 0 "[ . 1 . 2]" 1
612 1 32 LEU HA 1 32 LEU QD . . 2.930 2.072 1.978 2.299 . 0 0 "[ . 1 . 2]" 1
613 1 32 LEU HA 1 32 LEU MD2 . . 4.420 2.081 1.984 2.318 . 0 0 "[ . 1 . 2]" 1
614 1 32 LEU HA 1 32 LEU HG . . 3.730 2.665 2.557 2.717 . 0 0 "[ . 1 . 2]" 1
615 1 32 LEU HA 1 34 LYS H . . 4.930 4.031 4.004 4.104 . 0 0 "[ . 1 . 2]" 1
616 1 32 LEU HA 1 35 HIS H . . 4.480 3.506 3.440 3.586 . 0 0 "[ . 1 . 2]" 1
617 1 32 LEU HA 1 35 HIS HB2 . . 4.690 3.439 3.104 3.536 . 0 0 "[ . 1 . 2]" 1
618 1 32 LEU HA 1 37 TYR H . . 4.060 3.360 3.333 3.395 . 0 0 "[ . 1 . 2]" 1
619 1 32 LEU HA 1 38 ASN H . . 5.140 2.905 2.843 2.985 . 0 0 "[ . 1 . 2]" 1
620 1 32 LEU HA 1 39 ILE HA . . 5.010 4.756 4.714 4.833 . 0 0 "[ . 1 . 2]" 1
621 1 32 LEU HA 1 42 VAL HA . . 5.230 5.121 4.971 5.216 . 0 0 "[ . 1 . 2]" 1
622 1 32 LEU HA 1 42 VAL HB . . 4.880 4.780 4.712 4.836 . 0 0 "[ . 1 . 2]" 1
623 1 32 LEU HA 1 42 VAL MG2 . . 3.020 2.163 2.080 2.195 . 0 0 "[ . 1 . 2]" 1
624 1 32 LEU HB2 1 33 LYS H . . 3.540 2.587 2.498 2.680 . 0 0 "[ . 1 . 2]" 1
625 1 32 LEU HB2 1 34 LYS H . . 5.500 4.731 4.651 4.807 . 0 0 "[ . 1 . 2]" 1
626 1 32 LEU HB2 1 37 TYR H . . 5.170 4.735 4.671 4.821 . 0 0 "[ . 1 . 2]" 1
627 1 32 LEU HB2 1 37 TYR QD . . 5.500 5.047 4.664 5.135 . 0 0 "[ . 1 . 2]" 1
628 1 32 LEU HB2 1 37 TYR QE . . 5.500 5.258 4.850 5.364 . 0 0 "[ . 1 . 2]" 1
629 1 32 LEU HB3 1 33 LYS H . . 3.570 3.060 2.949 3.186 . 0 0 "[ . 1 . 2]" 1
630 1 32 LEU HB3 1 34 LYS H . . 5.370 4.957 4.890 5.033 . 0 0 "[ . 1 . 2]" 1
631 1 32 LEU HB3 1 37 TYR H . . 4.480 3.244 3.183 3.348 . 0 0 "[ . 1 . 2]" 1
632 1 32 LEU HB3 1 37 TYR QD . . 3.530 3.463 3.069 3.535 0.005 20 0 "[ . 1 . 2]" 1
633 1 32 LEU HB3 1 37 TYR QE . . 5.500 4.095 3.767 4.221 . 0 0 "[ . 1 . 2]" 1
634 1 32 LEU HB3 1 38 ASN H . . 4.590 4.341 4.227 4.440 . 0 0 "[ . 1 . 2]" 1
635 1 32 LEU QD 1 33 LYS HA . . 5.260 4.823 4.770 4.872 . 0 0 "[ . 1 . 2]" 1
636 1 32 LEU QD 1 35 HIS H . . 5.240 4.812 4.713 4.953 . 0 0 "[ . 1 . 2]" 1
637 1 32 LEU QD 1 35 HIS HB3 . . 5.440 5.394 5.020 5.453 0.013 4 0 "[ . 1 . 2]" 1
638 1 32 LEU QD 1 36 ASN H . . 5.440 5.005 4.907 5.081 . 0 0 "[ . 1 . 2]" 1
639 1 32 LEU QD 1 37 TYR H . . 3.730 3.209 3.140 3.277 . 0 0 "[ . 1 . 2]" 1
640 1 32 LEU QD 1 37 TYR HB2 . . 4.450 4.267 4.229 4.331 . 0 0 "[ . 1 . 2]" 1
641 1 32 LEU QD 1 37 TYR HB3 . . 3.930 3.594 3.528 3.660 . 0 0 "[ . 1 . 2]" 1
642 1 32 LEU QD 1 37 TYR QD . . 3.550 3.459 3.322 3.529 . 0 0 "[ . 1 . 2]" 1
643 1 32 LEU QD 1 37 TYR QE . . 5.440 4.011 3.842 4.117 . 0 0 "[ . 1 . 2]" 1
644 1 32 LEU QD 1 38 ASN H . . 4.040 2.444 2.370 2.533 . 0 0 "[ . 1 . 2]" 1
645 1 32 LEU QD 1 39 ILE H . . 4.310 3.144 3.068 3.247 . 0 0 "[ . 1 . 2]" 1
646 1 32 LEU QD 1 39 ILE HA . . 4.520 2.969 2.859 3.099 . 0 0 "[ . 1 . 2]" 1
647 1 32 LEU QD 1 39 ILE HB . . 3.990 3.077 2.986 3.181 . 0 0 "[ . 1 . 2]" 1
648 1 32 LEU MD1 1 33 LYS H . . 4.890 4.331 4.248 4.435 . 0 0 "[ . 1 . 2]" 1
649 1 32 LEU MD2 1 33 LYS H . . 4.890 4.577 4.505 4.648 . 0 0 "[ . 1 . 2]" 1
650 1 32 LEU HG 1 37 TYR H . . 5.500 5.364 5.281 5.409 . 0 0 "[ . 1 . 2]" 1
651 1 32 LEU HG 1 38 ASN H . . 4.980 4.758 4.583 4.839 . 0 0 "[ . 1 . 2]" 1
652 1 32 LEU HG 1 39 ILE H . . 5.500 5.472 5.297 5.516 0.016 12 0 "[ . 1 . 2]" 1
653 1 33 LYS H 1 33 LYS QB . . 2.870 2.538 2.442 2.618 . 0 0 "[ . 1 . 2]" 1
654 1 33 LYS H 1 33 LYS QD . . 4.300 3.901 2.811 4.193 . 0 0 "[ . 1 . 2]" 1
655 1 33 LYS H 1 33 LYS HG2 . . 3.780 2.162 1.934 2.367 . 0 0 "[ . 1 . 2]" 1
656 1 33 LYS H 1 33 LYS HG3 . . 3.750 3.056 2.507 3.508 . 0 0 "[ . 1 . 2]" 1
657 1 33 LYS H 1 34 LYS H . . 3.110 2.605 2.550 2.647 . 0 0 "[ . 1 . 2]" 1
658 1 33 LYS H 1 34 LYS HA . . 5.420 5.204 5.156 5.254 . 0 0 "[ . 1 . 2]" 1
659 1 33 LYS H 1 35 HIS H . . 4.360 4.355 4.271 4.382 0.022 11 0 "[ . 1 . 2]" 1
660 1 33 LYS H 1 36 ASN H . . 4.700 4.720 4.664 4.770 0.070 9 0 "[ . 1 . 2]" 1
661 1 33 LYS H 1 42 VAL MG2 . . 5.370 4.688 4.615 4.745 . 0 0 "[ . 1 . 2]" 1
662 1 33 LYS HA 1 33 LYS QD . . 4.240 2.795 1.983 3.453 . 0 0 "[ . 1 . 2]" 1
663 1 33 LYS HA 1 33 LYS HG2 . . 3.400 2.748 2.574 3.322 . 0 0 "[ . 1 . 2]" 1
664 1 33 LYS HA 1 33 LYS HG3 . . 3.990 3.794 3.704 3.844 . 0 0 "[ . 1 . 2]" 1
665 1 33 LYS HA 1 34 LYS HA . . 4.890 4.735 4.726 4.740 . 0 0 "[ . 1 . 2]" 1
666 1 33 LYS HA 1 35 HIS H . . 4.650 4.485 4.314 4.595 . 0 0 "[ . 1 . 2]" 1
667 1 33 LYS HA 1 36 ASN H . . 3.850 3.365 3.282 3.480 . 0 0 "[ . 1 . 2]" 1
668 1 33 LYS HA 1 36 ASN HA . . 4.130 3.253 3.213 3.425 . 0 0 "[ . 1 . 2]" 1
669 1 33 LYS HA 1 37 TYR H . . 4.200 3.338 3.235 3.463 . 0 0 "[ . 1 . 2]" 1
670 1 33 LYS HA 1 37 TYR QD . . 4.080 3.521 3.301 3.729 . 0 0 "[ . 1 . 2]" 1
671 1 33 LYS QB 1 33 LYS QD . . 3.220 2.120 1.948 2.406 . 0 0 "[ . 1 . 2]" 1
672 1 33 LYS QB 1 33 LYS QE . . 4.020 3.436 2.577 3.713 . 0 0 "[ . 1 . 2]" 1
673 1 33 LYS QB 1 34 LYS H . . 3.240 2.921 2.826 2.944 . 0 0 "[ . 1 . 2]" 1
674 1 33 LYS QB 1 36 ASN H . . 4.740 4.687 4.639 4.732 . 0 0 "[ . 1 . 2]" 1
675 1 33 LYS QB 1 37 TYR H . . 5.500 5.230 5.125 5.344 . 0 0 "[ . 1 . 2]" 1
676 1 33 LYS QD 1 37 TYR QD . . 5.500 4.503 3.072 5.340 . 0 0 "[ . 1 . 2]" 1
677 1 33 LYS QD 1 37 TYR QE . . 5.500 3.478 2.183 4.324 . 0 0 "[ . 1 . 2]" 1
678 1 33 LYS HG2 1 37 TYR QE . . 4.490 4.042 3.589 4.510 0.020 13 0 "[ . 1 . 2]" 1
679 1 34 LYS H 1 34 LYS HB2 . . 3.430 2.552 2.428 2.948 . 0 0 "[ . 1 . 2]" 1
680 1 34 LYS H 1 34 LYS QB . . 2.900 2.257 2.157 2.271 . 0 0 "[ . 1 . 2]" 1
681 1 34 LYS H 1 34 LYS HB3 . . 3.430 2.548 2.218 2.668 . 0 0 "[ . 1 . 2]" 1
682 1 34 LYS H 1 34 LYS QD . . 4.850 4.306 4.150 4.408 . 0 0 "[ . 1 . 2]" 1
683 1 34 LYS H 1 34 LYS HG2 . . 4.780 4.401 4.121 4.443 . 0 0 "[ . 1 . 2]" 1
684 1 34 LYS H 1 34 LYS QG . . 4.090 3.987 3.829 4.039 . 0 0 "[ . 1 . 2]" 1
685 1 34 LYS H 1 34 LYS HG3 . . 4.780 4.562 4.464 4.642 . 0 0 "[ . 1 . 2]" 1
686 1 34 LYS H 1 35 HIS H . . 3.190 2.520 2.485 2.544 . 0 0 "[ . 1 . 2]" 1
687 1 34 LYS H 1 35 HIS HB2 . . 5.010 4.857 4.688 4.895 . 0 0 "[ . 1 . 2]" 1
688 1 34 LYS H 1 35 HIS HD2 . . 5.160 4.577 4.338 4.988 . 0 0 "[ . 1 . 2]" 1
689 1 34 LYS H 1 42 VAL MG2 . . 4.850 4.603 4.547 4.689 . 0 0 "[ . 1 . 2]" 1
690 1 34 LYS HA 1 34 LYS QD . . 4.150 3.801 3.502 4.073 . 0 0 "[ . 1 . 2]" 1
691 1 34 LYS HA 1 34 LYS QE . . 4.890 4.588 4.212 4.876 . 0 0 "[ . 1 . 2]" 1
692 1 34 LYS HA 1 34 LYS QG . . 3.420 2.364 2.295 2.697 . 0 0 "[ . 1 . 2]" 1
693 1 34 LYS HA 1 36 ASN H . . 4.370 3.910 3.832 3.950 . 0 0 "[ . 1 . 2]" 1
694 1 34 LYS QB 1 35 HIS H . . 3.430 2.532 2.451 2.640 . 0 0 "[ . 1 . 2]" 1
695 1 34 LYS QB 1 35 HIS HD2 . . 4.490 3.369 3.140 3.781 . 0 0 "[ . 1 . 2]" 1
696 1 34 LYS QB 1 36 ASN H . . 4.940 4.332 4.285 4.401 . 0 0 "[ . 1 . 2]" 1
697 1 34 LYS HB2 1 35 HIS H . . 4.260 3.812 3.738 4.003 . 0 0 "[ . 1 . 2]" 1
698 1 34 LYS HB3 1 35 HIS H . . 4.260 2.571 2.482 2.686 . 0 0 "[ . 1 . 2]" 1
699 1 34 LYS QD 1 35 HIS H . . 4.400 3.563 2.939 4.249 . 0 0 "[ . 1 . 2]" 1
700 1 34 LYS QD 1 35 HIS HD2 . . 3.540 3.547 3.532 3.570 0.030 4 0 "[ . 1 . 2]" 1
701 1 34 LYS QE 1 34 LYS QG . . 3.300 2.245 2.010 2.525 . 0 0 "[ . 1 . 2]" 1
702 1 34 LYS HE2 1 35 HIS HA . . 5.500 5.150 4.275 5.557 0.057 19 0 "[ . 1 . 2]" 1
703 1 34 LYS HE3 1 35 HIS HA . . 5.500 5.240 4.699 5.521 0.021 4 0 "[ . 1 . 2]" 1
704 1 34 LYS QG 1 35 HIS H . . 4.220 4.005 2.951 4.224 0.004 1 0 "[ . 1 . 2]" 1
705 1 34 LYS QG 1 36 ASN H . . 5.340 5.123 4.525 5.308 . 0 0 "[ . 1 . 2]" 1
706 1 35 HIS H 1 35 HIS HB2 . . 3.320 2.521 2.399 2.549 . 0 0 "[ . 1 . 2]" 1
707 1 35 HIS H 1 35 HIS HB3 . . 3.770 3.661 3.619 3.681 . 0 0 "[ . 1 . 2]" 1
708 1 35 HIS H 1 35 HIS HD2 . . 3.790 3.110 2.861 3.476 . 0 0 "[ . 1 . 2]" 1
709 1 35 HIS H 1 36 ASN H . . 3.090 2.375 2.301 2.437 . 0 0 "[ . 1 . 2]" 1
710 1 35 HIS H 1 36 ASN HA . . 4.590 4.576 4.496 4.660 0.070 19 0 "[ . 1 . 2]" 1
711 1 35 HIS H 1 37 TYR H . . 4.390 4.114 3.953 4.351 . 0 0 "[ . 1 . 2]" 1
712 1 35 HIS H 1 38 ASN H . . 4.400 4.175 4.080 4.303 . 0 0 "[ . 1 . 2]" 1
713 1 35 HIS H 1 38 ASN HB3 . . 5.500 4.901 4.804 5.220 . 0 0 "[ . 1 . 2]" 1
714 1 35 HIS H 1 42 VAL MG2 . . 3.980 3.724 3.646 3.772 . 0 0 "[ . 1 . 2]" 1
715 1 35 HIS HB2 1 35 HIS HD2 . . 3.780 2.720 2.693 2.758 . 0 0 "[ . 1 . 2]" 1
716 1 35 HIS HB2 1 38 ASN H . . 4.050 2.639 2.599 2.748 . 0 0 "[ . 1 . 2]" 1
717 1 35 HIS HB2 1 42 VAL H . . 4.720 4.126 4.022 4.160 . 0 0 "[ . 1 . 2]" 1
718 1 35 HIS HB2 1 42 VAL MG2 . . 4.590 2.662 2.357 2.727 . 0 0 "[ . 1 . 2]" 1
719 1 35 HIS HB3 1 36 ASN H . . 4.400 4.331 4.236 4.364 . 0 0 "[ . 1 . 2]" 1
720 1 35 HIS HB3 1 38 ASN H . . 3.850 3.726 3.367 3.840 . 0 0 "[ . 1 . 2]" 1
721 1 35 HIS HB3 1 38 ASN HB2 . . 4.600 2.394 2.332 2.540 . 0 0 "[ . 1 . 2]" 1
722 1 35 HIS HB3 1 41 GLN H . . 4.770 4.362 4.234 4.462 . 0 0 "[ . 1 . 2]" 1
723 1 35 HIS HB3 1 41 GLN HB2 . . 4.710 2.459 2.308 2.611 . 0 0 "[ . 1 . 2]" 1
724 1 35 HIS HB3 1 41 GLN HB3 . . 4.880 3.615 3.478 3.781 . 0 0 "[ . 1 . 2]" 1
725 1 35 HIS HB3 1 42 VAL H . . 4.640 4.566 4.194 4.651 0.011 20 0 "[ . 1 . 2]" 1
726 1 35 HIS HB3 1 42 VAL MG2 . . 4.450 3.813 3.394 3.896 . 0 0 "[ . 1 . 2]" 1
727 1 35 HIS HD2 1 41 GLN HB2 . . 4.440 3.659 3.506 3.869 . 0 0 "[ . 1 . 2]" 1
728 1 35 HIS HD2 1 41 GLN HB3 . . 4.730 4.273 4.035 4.513 . 0 0 "[ . 1 . 2]" 1
729 1 35 HIS HD2 1 42 VAL H . . 4.320 3.682 3.513 4.095 . 0 0 "[ . 1 . 2]" 1
730 1 35 HIS HD2 1 42 VAL HA . . 3.500 2.537 2.027 2.909 . 0 0 "[ . 1 . 2]" 1
731 1 36 ASN H 1 36 ASN HA . . 2.640 2.276 2.275 2.277 . 0 0 "[ . 1 . 2]" 1
732 1 36 ASN H 1 36 ASN HB2 . . 4.110 3.636 3.110 3.778 . 0 0 "[ . 1 . 2]" 1
733 1 36 ASN H 1 36 ASN QB . . 3.450 3.354 2.979 3.450 . 1 0 "[ . 1 . 2]" 1
734 1 36 ASN H 1 36 ASN HB3 . . 4.110 3.959 3.805 4.016 . 0 0 "[ . 1 . 2]" 1
735 1 36 ASN H 1 37 TYR H . . 3.100 2.872 2.770 2.978 . 0 0 "[ . 1 . 2]" 1
736 1 36 ASN H 1 37 TYR QD . . 4.860 4.625 4.484 4.733 . 0 0 "[ . 1 . 2]" 1
737 1 36 ASN H 1 38 ASN H . . 4.310 4.116 4.098 4.140 . 0 0 "[ . 1 . 2]" 1
738 1 36 ASN H 1 42 VAL MG2 . . 5.220 5.063 4.912 5.134 . 0 0 "[ . 1 . 2]" 1
739 1 36 ASN HA 1 37 TYR H . . 3.230 2.514 2.433 2.586 . 0 0 "[ . 1 . 2]" 1
740 1 36 ASN HA 1 37 TYR QD . . 3.840 3.266 3.210 3.460 . 0 0 "[ . 1 . 2]" 1
741 1 36 ASN QB 1 37 TYR H . . 4.210 3.922 3.881 3.999 . 0 0 "[ . 1 . 2]" 1
742 1 36 ASN HB2 1 37 TYR H . . 5.040 4.428 4.349 4.654 . 0 0 "[ . 1 . 2]" 1
743 1 36 ASN HB3 1 37 TYR H . . 5.040 4.383 4.317 4.439 . 0 0 "[ . 1 . 2]" 1
744 1 37 TYR H 1 37 TYR HB2 . . 3.440 3.331 3.294 3.343 . 0 0 "[ . 1 . 2]" 1
745 1 37 TYR H 1 37 TYR HB3 . . 4.170 4.089 4.070 4.093 . 0 0 "[ . 1 . 2]" 1
746 1 37 TYR H 1 37 TYR QD . . 3.750 2.272 2.208 2.300 . 0 0 "[ . 1 . 2]" 1
747 1 37 TYR H 1 38 ASN H . . 3.240 2.808 2.795 2.870 . 0 0 "[ . 1 . 2]" 1
748 1 37 TYR H 1 38 ASN HB3 . . 5.500 5.486 5.404 5.546 0.046 17 0 "[ . 1 . 2]" 1
749 1 37 TYR H 1 42 VAL MG2 . . 4.630 4.617 4.501 4.652 0.022 17 0 "[ . 1 . 2]" 1
750 1 37 TYR QD 1 38 ASN H . . 4.620 4.609 4.501 4.634 0.014 10 0 "[ . 1 . 2]" 1
751 1 38 ASN H 1 38 ASN HB2 . . 2.880 2.664 2.647 2.706 . 0 0 "[ . 1 . 2]" 1
752 1 38 ASN H 1 38 ASN HB3 . . 3.260 3.025 2.970 3.101 . 0 0 "[ . 1 . 2]" 1
753 1 38 ASN H 1 39 ILE H . . 4.050 3.686 3.629 3.738 . 0 0 "[ . 1 . 2]" 1
754 1 38 ASN H 1 39 ILE HA . . 4.980 4.585 4.560 4.609 . 0 0 "[ . 1 . 2]" 1
755 1 38 ASN H 1 40 LEU H . . 5.500 5.510 5.473 5.526 0.026 13 0 "[ . 1 . 2]" 1
756 1 38 ASN H 1 41 GLN H . . 5.450 5.327 5.269 5.372 . 0 0 "[ . 1 . 2]" 1
757 1 38 ASN H 1 41 GLN HB2 . . 5.350 4.873 4.778 4.986 . 0 0 "[ . 1 . 2]" 1
758 1 38 ASN H 1 41 GLN QG . . 5.500 5.506 5.478 5.521 0.021 10 0 "[ . 1 . 2]" 1
759 1 38 ASN H 1 42 VAL H . . 5.080 4.885 4.788 4.924 . 0 0 "[ . 1 . 2]" 1
760 1 38 ASN H 1 42 VAL MG2 . . 3.920 3.041 2.962 3.072 . 0 0 "[ . 1 . 2]" 1
761 1 38 ASN HA 1 39 ILE H . . 3.130 2.322 2.299 2.354 . 0 0 "[ . 1 . 2]" 1
762 1 38 ASN HA 1 39 ILE HA . . 4.850 4.558 4.543 4.577 . 0 0 "[ . 1 . 2]" 1
763 1 38 ASN HA 1 39 ILE HB . . 5.100 4.883 4.830 4.914 . 0 0 "[ . 1 . 2]" 1
764 1 38 ASN HA 1 40 LEU H . . 4.150 3.510 3.471 3.540 . 0 0 "[ . 1 . 2]" 1
765 1 38 ASN HB2 1 39 ILE H . . 4.870 4.672 4.665 4.674 . 0 0 "[ . 1 . 2]" 1
766 1 38 ASN HB2 1 40 LEU H . . 5.450 5.377 5.321 5.420 . 0 0 "[ . 1 . 2]" 1
767 1 38 ASN HB2 1 41 GLN H . . 4.780 4.486 4.423 4.537 . 0 0 "[ . 1 . 2]" 1
768 1 38 ASN HB2 1 41 GLN HB2 . . 5.030 3.871 3.741 4.030 . 0 0 "[ . 1 . 2]" 1
769 1 38 ASN HB2 1 41 GLN QG . . 4.480 3.777 3.680 3.870 . 0 0 "[ . 1 . 2]" 1
770 1 38 ASN HB3 1 39 ILE H . . 4.540 4.317 4.288 4.331 . 0 0 "[ . 1 . 2]" 1
771 1 38 ASN HB3 1 41 GLN H . . 4.690 2.905 2.792 2.981 . 0 0 "[ . 1 . 2]" 1
772 1 38 ASN HB3 1 41 GLN HA . . 5.170 4.915 4.821 5.020 . 0 0 "[ . 1 . 2]" 1
773 1 38 ASN HB3 1 41 GLN HB3 . . 5.210 3.976 3.875 4.117 . 0 0 "[ . 1 . 2]" 1
774 1 38 ASN HB3 1 42 VAL HB . . 5.430 5.410 5.283 5.460 0.030 10 0 "[ . 1 . 2]" 1
775 1 39 ILE H 1 39 ILE HB . . 3.140 2.561 2.513 2.580 . 0 0 "[ . 1 . 2]" 1
776 1 39 ILE H 1 39 ILE MD . . 4.480 4.086 4.059 4.100 . 0 0 "[ . 1 . 2]" 1
777 1 39 ILE H 1 39 ILE QG . . 4.390 4.065 4.061 4.072 . 0 0 "[ . 1 . 2]" 1
778 1 39 ILE H 1 39 ILE MG . . 3.030 1.991 1.961 2.074 . 0 0 "[ . 1 . 2]" 1
779 1 39 ILE H 1 40 LEU H . . 3.420 2.801 2.781 2.822 . 0 0 "[ . 1 . 2]" 1
780 1 39 ILE H 1 40 LEU HB2 . . 5.360 5.152 5.096 5.213 . 0 0 "[ . 1 . 2]" 1
781 1 39 ILE H 1 40 LEU HG . . 5.400 4.140 4.058 4.196 . 0 0 "[ . 1 . 2]" 1
782 1 39 ILE H 1 41 GLN H . . 4.690 4.593 4.578 4.631 . 0 0 "[ . 1 . 2]" 1
783 1 39 ILE H 1 42 VAL H . . 4.950 4.647 4.615 4.668 . 0 0 "[ . 1 . 2]" 1
784 1 39 ILE H 1 42 VAL HB . . 5.170 4.709 4.655 4.747 . 0 0 "[ . 1 . 2]" 1
785 1 39 ILE HA 1 39 ILE MD . . 3.040 2.093 2.022 2.192 . 0 0 "[ . 1 . 2]" 1
786 1 39 ILE HA 1 39 ILE QG . . 3.320 2.964 2.863 2.993 . 0 0 "[ . 1 . 2]" 1
787 1 39 ILE HA 1 41 GLN H . . 4.640 4.547 4.536 4.575 . 0 0 "[ . 1 . 2]" 1
788 1 39 ILE HA 1 42 VAL H . . 3.320 3.259 3.232 3.289 . 0 0 "[ . 1 . 2]" 1
789 1 39 ILE HA 1 42 VAL HA . . 4.900 4.862 4.819 4.890 . 0 0 "[ . 1 . 2]" 1
790 1 39 ILE HA 1 42 VAL HB . . 3.270 2.124 2.085 2.156 . 0 0 "[ . 1 . 2]" 1
791 1 39 ILE HA 1 43 VAL H . . 3.870 3.603 3.559 3.655 . 0 0 "[ . 1 . 2]" 1
792 1 39 ILE HA 1 43 VAL QG . . 4.000 3.644 3.556 3.701 . 0 0 "[ . 1 . 2]" 1
793 1 39 ILE HB 1 39 ILE MD . . 3.670 2.392 2.321 2.426 . 0 0 "[ . 1 . 2]" 1
794 1 39 ILE HB 1 40 LEU H . . 4.140 3.966 3.956 3.973 . 0 0 "[ . 1 . 2]" 1
795 1 39 ILE HB 1 43 VAL H . . 5.500 5.530 5.495 5.562 0.062 15 0 "[ . 1 . 2]" 1
796 1 39 ILE MD 1 42 VAL HB . . 4.090 2.268 2.202 2.438 . 0 0 "[ . 1 . 2]" 1
797 1 39 ILE QG 1 43 VAL H . . 4.440 3.693 3.515 3.807 . 0 0 "[ . 1 . 2]" 1
798 1 39 ILE QG 1 43 VAL HB . . 5.270 3.974 3.863 4.088 . 0 0 "[ . 1 . 2]" 1
799 1 39 ILE QG 1 43 VAL QG . . 3.290 2.278 2.101 2.494 . 0 0 "[ . 1 . 2]" 1
800 1 39 ILE MG 1 40 LEU H . . 3.020 2.074 2.046 2.108 . 0 0 "[ . 1 . 2]" 1
801 1 39 ILE MG 1 40 LEU HA . . 4.260 3.204 3.124 3.239 . 0 0 "[ . 1 . 2]" 1
802 1 39 ILE MG 1 40 LEU HG . . 3.990 2.642 2.550 2.744 . 0 0 "[ . 1 . 2]" 1
803 1 39 ILE MG 1 41 GLN H . . 4.550 4.458 4.431 4.486 . 0 0 "[ . 1 . 2]" 1
804 1 40 LEU H 1 40 LEU HB2 . . 3.120 2.684 2.637 2.728 . 0 0 "[ . 1 . 2]" 1
805 1 40 LEU H 1 40 LEU HB3 . . 3.640 3.575 3.569 3.581 . 0 0 "[ . 1 . 2]" 1
806 1 40 LEU H 1 40 LEU MD1 . . 3.950 3.597 3.519 3.626 . 0 0 "[ . 1 . 2]" 1
807 1 40 LEU H 1 40 LEU MD2 . . 3.620 2.825 2.641 3.093 . 0 0 "[ . 1 . 2]" 1
808 1 40 LEU H 1 40 LEU HG . . 3.820 1.988 1.952 2.018 . 0 0 "[ . 1 . 2]" 1
809 1 40 LEU H 1 41 GLN H . . 3.110 2.888 2.873 2.904 . 0 0 "[ . 1 . 2]" 1
810 1 40 LEU H 1 41 GLN QG . . 4.580 4.549 4.457 4.606 0.026 18 0 "[ . 1 . 2]" 1
811 1 40 LEU H 1 42 VAL H . . 4.020 3.937 3.921 3.976 . 0 0 "[ . 1 . 2]" 1
812 1 40 LEU H 1 43 VAL H . . 4.990 4.929 4.842 4.986 . 0 0 "[ . 1 . 2]" 1
813 1 40 LEU HA 1 40 LEU MD2 . . 3.230 2.121 1.997 2.259 . 0 0 "[ . 1 . 2]" 1
814 1 40 LEU HA 1 41 GLN HA . . 5.160 4.705 4.700 4.708 . 0 0 "[ . 1 . 2]" 1
815 1 40 LEU HA 1 42 VAL H . . 4.740 4.433 4.415 4.507 . 0 0 "[ . 1 . 2]" 1
816 1 40 LEU HA 1 43 VAL H . . 4.330 4.140 4.062 4.182 . 0 0 "[ . 1 . 2]" 1
817 1 40 LEU HA 1 43 VAL QG . . 5.080 3.743 3.611 3.879 . 0 0 "[ . 1 . 2]" 1
818 1 40 LEU HA 1 44 THR H . . 4.970 4.408 4.312 4.562 . 0 0 "[ . 1 . 2]" 1
819 1 40 LEU HB2 1 40 LEU MD1 . . 3.280 2.281 2.202 2.346 . 0 0 "[ . 1 . 2]" 1
820 1 40 LEU HB2 1 40 LEU MD2 . . 3.390 3.187 3.177 3.194 . 0 0 "[ . 1 . 2]" 1
821 1 40 LEU HB2 1 41 GLN H . . 3.600 2.320 2.299 2.333 . 0 0 "[ . 1 . 2]" 1
822 1 40 LEU HB2 1 42 VAL H . . 4.790 4.626 4.603 4.643 . 0 0 "[ . 1 . 2]" 1
823 1 40 LEU HB3 1 40 LEU MD1 . . 3.530 2.395 2.332 2.471 . 0 0 "[ . 1 . 2]" 1
824 1 40 LEU HB3 1 40 LEU MD2 . . 3.310 2.368 2.282 2.432 . 0 0 "[ . 1 . 2]" 1
825 1 40 LEU HB3 1 41 GLN H . . 3.980 3.562 3.525 3.604 . 0 0 "[ . 1 . 2]" 1
826 1 40 LEU MD1 1 41 GLN H . . 4.270 4.240 4.152 4.268 . 0 0 "[ . 1 . 2]" 1
827 1 40 LEU MD2 1 41 GLN H . . 4.660 4.509 4.445 4.576 . 0 0 "[ . 1 . 2]" 1
828 1 40 LEU HG 1 41 GLN H . . 4.080 3.992 3.907 4.075 . 0 0 "[ . 1 . 2]" 1
829 1 41 GLN H 1 41 GLN HB2 . . 3.430 2.507 2.473 2.551 . 0 0 "[ . 1 . 2]" 1
830 1 41 GLN H 1 41 GLN HB3 . . 4.160 3.602 3.599 3.605 . 0 0 "[ . 1 . 2]" 1
831 1 41 GLN H 1 41 GLN QG . . 3.180 2.255 2.109 2.406 . 0 0 "[ . 1 . 2]" 1
832 1 41 GLN H 1 42 VAL H . . 3.080 2.490 2.480 2.497 . 0 0 "[ . 1 . 2]" 1
833 1 41 GLN H 1 42 VAL HA . . 5.200 5.102 5.091 5.112 . 0 0 "[ . 1 . 2]" 1
834 1 41 GLN H 1 42 VAL MG2 . . 4.150 3.961 3.935 3.985 . 0 0 "[ . 1 . 2]" 1
835 1 41 GLN H 1 43 VAL H . . 4.670 4.582 4.440 4.631 . 0 0 "[ . 1 . 2]" 1
836 1 41 GLN HA 1 41 GLN QG . . 3.290 2.769 2.381 3.036 . 0 0 "[ . 1 . 2]" 1
837 1 41 GLN HA 1 42 VAL HA . . 5.050 4.831 4.821 4.840 . 0 0 "[ . 1 . 2]" 1
838 1 41 GLN HA 1 44 THR H . . 3.730 3.619 3.458 3.734 0.004 5 0 "[ . 1 . 2]" 1
839 1 41 GLN HA 1 44 THR HB . . 3.510 2.599 2.476 2.693 . 0 0 "[ . 1 . 2]" 1
840 1 41 GLN HA 1 44 THR MG . . 3.990 3.898 3.792 3.989 . 0 0 "[ . 1 . 2]" 1
841 1 41 GLN HA 1 45 GLU H . . 4.450 4.156 3.891 4.300 . 0 0 "[ . 1 . 2]" 1
842 1 41 GLN HB2 1 42 VAL H . . 3.740 2.821 2.764 2.834 . 0 0 "[ . 1 . 2]" 1
843 1 41 GLN HB2 1 42 VAL HA . . 4.590 4.241 4.187 4.284 . 0 0 "[ . 1 . 2]" 1
844 1 42 VAL H 1 42 VAL HB . . 3.130 2.509 2.483 2.523 . 0 0 "[ . 1 . 2]" 1
845 1 42 VAL H 1 42 VAL MG1 . . 3.840 3.760 3.756 3.762 . 0 0 "[ . 1 . 2]" 1
846 1 42 VAL H 1 42 VAL MG2 . . 2.880 2.213 2.183 2.264 . 0 0 "[ . 1 . 2]" 1
847 1 42 VAL H 1 43 VAL H . . 3.180 2.882 2.819 2.913 . 0 0 "[ . 1 . 2]" 1
848 1 42 VAL H 1 43 VAL HB . . 4.960 4.984 4.967 5.005 0.045 13 0 "[ . 1 . 2]" 1
849 1 42 VAL H 1 43 VAL QG . . 4.970 4.290 4.246 4.319 . 0 0 "[ . 1 . 2]" 1
850 1 42 VAL H 1 44 THR H . . 4.300 4.147 3.984 4.305 0.005 18 0 "[ . 1 . 2]" 1
851 1 42 VAL HA 1 42 VAL MG1 . . 3.470 2.374 2.365 2.388 . 0 0 "[ . 1 . 2]" 1
852 1 42 VAL HA 1 42 VAL MG2 . . 3.080 2.362 2.337 2.384 . 0 0 "[ . 1 . 2]" 1
853 1 42 VAL HA 1 45 GLU H . . 3.940 3.625 3.511 3.707 . 0 0 "[ . 1 . 2]" 1
854 1 42 VAL HA 1 45 GLU QB . . 4.210 2.956 2.812 3.132 . 0 0 "[ . 1 . 2]" 1
855 1 42 VAL HB 1 43 VAL H . . 3.370 2.245 2.215 2.350 . 0 0 "[ . 1 . 2]" 1
856 1 42 VAL HB 1 43 VAL QG . . 3.530 3.029 2.990 3.188 . 0 0 "[ . 1 . 2]" 1
857 1 42 VAL HB 1 44 THR H . . 5.370 4.826 4.690 4.951 . 0 0 "[ . 1 . 2]" 1
858 1 42 VAL HB 1 46 LEU QD . . 5.440 4.511 4.404 4.647 . 0 0 "[ . 1 . 2]" 1
859 1 42 VAL MG1 1 43 VAL H . . 3.940 3.089 2.994 3.225 . 0 0 "[ . 1 . 2]" 1
860 1 42 VAL MG1 1 43 VAL HB . . 5.220 4.937 4.847 5.036 . 0 0 "[ . 1 . 2]" 1
861 1 42 VAL MG1 1 44 THR H . . 5.500 4.918 4.728 5.038 . 0 0 "[ . 1 . 2]" 1
862 1 42 VAL MG1 1 46 LEU H . . 4.620 3.946 3.864 4.033 . 0 0 "[ . 1 . 2]" 1
863 1 43 VAL H 1 43 VAL HB . . 3.060 2.552 2.524 2.566 . 0 0 "[ . 1 . 2]" 1
864 1 43 VAL H 1 43 VAL MG1 . . 3.800 3.763 3.761 3.765 . 0 0 "[ . 1 . 2]" 1
865 1 43 VAL H 1 43 VAL QG . . 2.850 2.065 1.999 2.145 . 0 0 "[ . 1 . 2]" 1
866 1 43 VAL H 1 43 VAL MG2 . . 3.800 2.075 2.007 2.157 . 0 0 "[ . 1 . 2]" 1
867 1 43 VAL H 1 44 THR H . . 3.310 2.795 2.660 2.871 . 0 0 "[ . 1 . 2]" 1
868 1 43 VAL H 1 44 THR HA . . 5.500 5.371 5.270 5.427 . 0 0 "[ . 1 . 2]" 1
869 1 43 VAL H 1 45 GLU H . . 4.500 4.155 4.048 4.401 . 0 0 "[ . 1 . 2]" 1
870 1 43 VAL H 1 46 LEU HB2 . . 5.500 5.413 5.260 5.554 0.054 16 0 "[ . 1 . 2]" 1
871 1 43 VAL H 1 46 LEU QD . . 5.170 4.475 4.379 4.569 . 0 0 "[ . 1 . 2]" 1
872 1 43 VAL HA 1 43 VAL MG1 . . 3.350 2.346 2.314 2.410 . 0 0 "[ . 1 . 2]" 1
873 1 43 VAL HA 1 43 VAL QG . . 2.890 2.112 2.050 2.150 . 0 0 "[ . 1 . 2]" 1
874 1 43 VAL HA 1 43 VAL MG2 . . 3.350 2.398 2.285 2.420 . 0 0 "[ . 1 . 2]" 1
875 1 43 VAL HA 1 46 LEU H . . 3.900 3.602 3.473 3.775 . 0 0 "[ . 1 . 2]" 1
876 1 43 VAL HA 1 46 LEU HB2 . . 3.600 2.965 2.883 3.050 . 0 0 "[ . 1 . 2]" 1
877 1 43 VAL HA 1 46 LEU HB3 . . 4.610 4.537 4.404 4.616 0.006 17 0 "[ . 1 . 2]" 1
878 1 43 VAL HA 1 46 LEU MD1 . . 4.440 3.529 2.928 3.917 . 0 0 "[ . 1 . 2]" 1
879 1 43 VAL HA 1 46 LEU QD . . 3.280 3.102 2.891 3.287 0.007 10 0 "[ . 1 . 2]" 1
880 1 43 VAL HA 1 46 LEU MD2 . . 4.440 3.777 3.269 4.484 0.044 15 0 "[ . 1 . 2]" 1
881 1 43 VAL HA 1 47 LEU H . . 4.640 4.210 4.045 4.491 . 0 0 "[ . 1 . 2]" 1
882 1 43 VAL HB 1 44 THR H . . 3.400 2.523 2.363 2.715 . 0 0 "[ . 1 . 2]" 1
883 1 43 VAL QG 1 44 THR H . . 3.270 3.169 3.050 3.277 0.007 10 0 "[ . 1 . 2]" 1
884 1 43 VAL QG 1 44 THR HA . . 4.220 3.462 3.263 3.543 . 0 0 "[ . 1 . 2]" 1
885 1 43 VAL QG 1 44 THR HB . . 4.930 4.894 4.807 4.956 0.026 11 0 "[ . 1 . 2]" 1
886 1 43 VAL QG 1 45 GLU H . . 4.820 4.472 4.354 4.685 . 0 0 "[ . 1 . 2]" 1
887 1 43 VAL QG 1 46 LEU QD . . 3.710 3.507 3.293 3.658 . 0 0 "[ . 1 . 2]" 1
888 1 43 VAL QG 1 47 LEU H . . 4.470 3.881 3.586 4.145 . 0 0 "[ . 1 . 2]" 1
889 1 43 VAL MG1 1 44 THR H . . 4.020 3.386 3.220 3.529 . 0 0 "[ . 1 . 2]" 1
890 1 43 VAL MG2 1 44 THR H . . 4.020 3.819 3.766 3.901 . 0 0 "[ . 1 . 2]" 1
891 1 44 THR H 1 44 THR HB . . 3.230 2.544 2.490 2.577 . 0 0 "[ . 1 . 2]" 1
892 1 44 THR H 1 44 THR MG . . 3.910 3.765 3.761 3.767 . 0 0 "[ . 1 . 2]" 1
893 1 44 THR H 1 45 GLU H . . 3.260 2.715 2.578 2.814 . 0 0 "[ . 1 . 2]" 1
894 1 44 THR H 1 45 GLU HA . . 5.500 5.309 5.199 5.394 . 0 0 "[ . 1 . 2]" 1
895 1 44 THR H 1 45 GLU QB . . 5.340 4.454 4.353 4.542 . 0 0 "[ . 1 . 2]" 1
896 1 44 THR H 1 46 LEU H . . 4.740 4.554 4.276 4.714 . 0 0 "[ . 1 . 2]" 1
897 1 44 THR H 1 47 LEU QB . . 5.340 4.800 4.644 5.048 . 0 0 "[ . 1 . 2]" 1
898 1 44 THR HA 1 44 THR MG . . 3.280 2.365 2.336 2.433 . 0 0 "[ . 1 . 2]" 1
899 1 44 THR HA 1 47 LEU H . . 4.170 3.685 3.544 3.764 . 0 0 "[ . 1 . 2]" 1
900 1 44 THR HA 1 47 LEU HB2 . . 4.530 2.999 2.605 3.458 . 0 0 "[ . 1 . 2]" 1
901 1 44 THR HA 1 47 LEU QB . . 3.950 2.769 2.577 2.985 . 0 0 "[ . 1 . 2]" 1
902 1 44 THR HA 1 47 LEU HB3 . . 4.530 3.571 3.055 4.413 . 0 0 "[ . 1 . 2]" 1
903 1 44 THR HA 1 47 LEU MD1 . . 5.200 4.086 2.262 5.143 . 0 0 "[ . 1 . 2]" 1
904 1 44 THR HA 1 47 LEU QD . . 3.810 3.132 2.258 3.834 0.024 17 0 "[ . 1 . 2]" 1
905 1 44 THR HA 1 47 LEU MD2 . . 5.200 3.918 3.168 5.089 . 0 0 "[ . 1 . 2]" 1
906 1 44 THR HA 1 48 GLN H . . 4.790 3.993 3.763 4.364 . 0 0 "[ . 1 . 2]" 1
907 1 44 THR HB 1 45 GLU H . . 3.220 2.761 2.549 2.862 . 0 0 "[ . 1 . 2]" 1
908 1 44 THR MG 1 45 GLU H . . 3.750 3.581 3.285 3.673 . 0 0 "[ . 1 . 2]" 1
909 1 44 THR MG 1 45 GLU HA . . 4.080 3.615 3.282 3.696 . 0 0 "[ . 1 . 2]" 1
910 1 44 THR MG 1 45 GLU QB . . 4.530 4.383 4.151 4.483 . 0 0 "[ . 1 . 2]" 1
911 1 44 THR MG 1 47 LEU H . . 4.920 4.701 4.468 4.832 . 0 0 "[ . 1 . 2]" 1
912 1 44 THR MG 1 47 LEU QB . . 3.760 3.628 3.331 3.770 0.010 19 0 "[ . 1 . 2]" 1
913 1 44 THR MG 1 48 GLN H . . 4.480 3.708 3.550 3.917 . 0 0 "[ . 1 . 2]" 1
914 1 44 THR MG 1 48 GLN QB . . 4.390 3.678 3.317 4.237 . 0 0 "[ . 1 . 2]" 1
915 1 44 THR MG 1 48 GLN HG2 . . 4.440 3.649 2.469 4.209 . 0 0 "[ . 1 . 2]" 1
916 1 44 THR MG 1 48 GLN HG3 . . 4.440 2.808 2.112 4.457 0.017 11 0 "[ . 1 . 2]" 1
917 1 44 THR MG 1 49 LEU H . . 5.500 5.515 5.478 5.543 0.043 11 0 "[ . 1 . 2]" 1
918 1 45 GLU H 1 45 GLU HB2 . . 3.170 2.297 2.228 2.467 . 0 0 "[ . 1 . 2]" 1
919 1 45 GLU H 1 45 GLU HB3 . . 3.170 2.797 2.617 2.883 . 0 0 "[ . 1 . 2]" 1
920 1 45 GLU H 1 45 GLU QG . . 4.100 4.023 3.904 4.057 . 0 0 "[ . 1 . 2]" 1
921 1 45 GLU H 1 46 LEU H . . 3.080 2.742 2.655 2.855 . 0 0 "[ . 1 . 2]" 1
922 1 45 GLU H 1 46 LEU HB2 . . 4.930 4.671 4.431 4.981 0.051 11 0 "[ . 1 . 2]" 1
923 1 45 GLU H 1 46 LEU MD1 . . 5.500 4.526 3.931 5.550 0.050 11 0 "[ . 1 . 2]" 1
924 1 45 GLU H 1 46 LEU QD . . 4.460 4.096 3.852 4.493 0.033 11 0 "[ . 1 . 2]" 1
925 1 45 GLU H 1 46 LEU MD2 . . 5.500 5.245 4.620 5.558 0.058 20 0 "[ . 1 . 2]" 1
926 1 45 GLU H 1 47 LEU H . . 4.310 3.963 3.821 4.174 . 0 0 "[ . 1 . 2]" 1
927 1 45 GLU H 1 48 GLN H . . 5.190 4.896 4.629 5.150 . 0 0 "[ . 1 . 2]" 1
928 1 45 GLU HA 1 45 GLU QG . . 3.170 2.446 2.176 2.743 . 0 0 "[ . 1 . 2]" 1
929 1 45 GLU HA 1 46 LEU HA . . 5.500 4.818 4.805 4.830 . 0 0 "[ . 1 . 2]" 1
930 1 45 GLU HA 1 47 LEU H . . 4.510 4.265 3.998 4.517 0.007 6 0 "[ . 1 . 2]" 1
931 1 45 GLU HA 1 49 LEU H . . 4.340 3.681 3.562 3.905 . 0 0 "[ . 1 . 2]" 1
932 1 45 GLU QB 1 46 LEU H . . 3.580 2.248 2.137 2.426 . 0 0 "[ . 1 . 2]" 1
933 1 45 GLU HB2 1 46 LEU H . . 4.390 3.481 3.364 3.642 . 0 0 "[ . 1 . 2]" 1
934 1 45 GLU HB3 1 46 LEU H . . 4.390 2.277 2.158 2.467 . 0 0 "[ . 1 . 2]" 1
935 1 45 GLU QG 1 46 LEU H . . 4.490 3.831 3.559 4.163 . 0 0 "[ . 1 . 2]" 1
936 1 45 GLU QG 1 46 LEU QD . . 4.830 3.501 3.050 3.984 . 0 0 "[ . 1 . 2]" 1
937 1 45 GLU QG 1 49 LEU H . . 4.280 4.111 3.930 4.287 0.007 4 0 "[ . 1 . 2]" 1
938 1 45 GLU QG 1 49 LEU MD1 . . 5.500 4.806 3.630 5.509 0.009 9 0 "[ . 1 . 2]" 1
939 1 45 GLU QG 1 49 LEU QD . . 4.830 3.661 3.003 4.562 . 0 0 "[ . 1 . 2]" 1
940 1 45 GLU QG 1 49 LEU MD2 . . 5.500 3.872 3.146 5.330 . 0 0 "[ . 1 . 2]" 1
941 1 46 LEU H 1 46 LEU HB2 . . 3.270 2.365 2.188 2.641 . 0 0 "[ . 1 . 2]" 1
942 1 46 LEU H 1 46 LEU HB3 . . 3.750 3.542 3.499 3.584 . 0 0 "[ . 1 . 2]" 1
943 1 46 LEU H 1 46 LEU MD1 . . 3.820 2.593 1.919 3.739 . 0 0 "[ . 1 . 2]" 1
944 1 46 LEU H 1 46 LEU QD . . 3.240 2.200 1.913 2.668 . 0 0 "[ . 1 . 2]" 1
945 1 46 LEU H 1 46 LEU MD2 . . 3.820 3.326 2.614 3.739 . 0 0 "[ . 1 . 2]" 1
946 1 46 LEU H 1 46 LEU HG . . 4.040 3.344 2.129 4.050 0.010 9 0 "[ . 1 . 2]" 1
947 1 46 LEU H 1 47 LEU H . . 3.340 2.764 2.675 2.801 . 0 0 "[ . 1 . 2]" 1
948 1 46 LEU H 1 47 LEU HA . . 5.500 5.351 5.266 5.381 . 0 0 "[ . 1 . 2]" 1
949 1 46 LEU H 1 48 GLN H . . 4.850 4.721 4.547 4.858 0.008 17 0 "[ . 1 . 2]" 1
950 1 46 LEU HA 1 46 LEU MD1 . . 3.920 2.820 2.227 3.798 . 0 0 "[ . 1 . 2]" 1
951 1 46 LEU HA 1 46 LEU QD . . 2.880 2.218 2.056 2.346 . 0 0 "[ . 1 . 2]" 1
952 1 46 LEU HA 1 46 LEU MD2 . . 3.920 3.225 2.065 3.827 . 0 0 "[ . 1 . 2]" 1
953 1 46 LEU HA 1 46 LEU HG . . 3.570 2.883 2.602 3.405 . 0 0 "[ . 1 . 2]" 1
954 1 46 LEU HA 1 48 GLN H . . 5.050 5.040 4.993 5.083 0.033 11 0 "[ . 1 . 2]" 1
955 1 46 LEU HA 1 49 LEU H . . 4.010 3.913 3.717 4.020 0.010 13 0 "[ . 1 . 2]" 1
956 1 46 LEU HA 1 49 LEU HB2 . . 4.670 3.756 2.755 4.358 . 0 0 "[ . 1 . 2]" 1
957 1 46 LEU HA 1 49 LEU QB . . 3.800 2.673 2.419 2.933 . 0 0 "[ . 1 . 2]" 1
958 1 46 LEU HA 1 49 LEU HB3 . . 4.670 2.762 2.442 3.070 . 0 0 "[ . 1 . 2]" 1
959 1 46 LEU HA 1 49 LEU QD . . 4.010 3.483 2.749 4.042 0.032 8 0 "[ . 1 . 2]" 1
960 1 46 LEU HA 1 49 LEU HG . . 4.750 4.496 4.043 4.757 0.007 18 0 "[ . 1 . 2]" 1
961 1 46 LEU HA 1 50 ASN H . . 4.600 4.067 3.506 4.528 . 0 0 "[ . 1 . 2]" 1
962 1 46 LEU HB2 1 46 LEU MD1 . . 3.580 2.407 2.369 2.461 . 0 0 "[ . 1 . 2]" 1
963 1 46 LEU HB2 1 46 LEU MD2 . . 3.580 2.627 2.209 3.184 . 0 0 "[ . 1 . 2]" 1
964 1 46 LEU HB2 1 47 LEU H . . 3.780 2.794 2.484 3.020 . 0 0 "[ . 1 . 2]" 1
965 1 46 LEU HB3 1 47 LEU H . . 3.950 3.541 3.320 3.956 0.006 11 0 "[ . 1 . 2]" 1
966 1 46 LEU HB3 1 47 LEU HA . . 4.740 4.254 4.049 4.615 . 0 0 "[ . 1 . 2]" 1
967 1 46 LEU QD 1 47 LEU H . . 4.060 3.945 3.857 4.116 0.056 11 0 "[ . 1 . 2]" 1
968 1 46 LEU QD 1 49 LEU H . . 5.370 5.071 4.934 5.170 . 0 0 "[ . 1 . 2]" 1
969 1 46 LEU MD1 1 47 LEU H . . 4.840 4.314 4.117 4.826 . 0 0 "[ . 1 . 2]" 1
970 1 46 LEU MD2 1 47 LEU H . . 4.840 4.626 4.451 4.830 . 0 0 "[ . 1 . 2]" 1
971 1 47 LEU H 1 47 LEU HB2 . . 3.630 2.229 2.045 2.383 . 0 0 "[ . 1 . 2]" 1
972 1 47 LEU H 1 47 LEU QB . . 3.130 2.171 2.026 2.342 . 0 0 "[ . 1 . 2]" 1
973 1 47 LEU H 1 47 LEU HB3 . . 3.630 3.090 2.717 3.570 . 0 0 "[ . 1 . 2]" 1
974 1 47 LEU H 1 47 LEU MD1 . . 4.440 3.622 2.661 4.206 . 0 0 "[ . 1 . 2]" 1
975 1 47 LEU H 1 47 LEU QD . . 3.730 3.352 2.636 3.632 . 0 0 "[ . 1 . 2]" 1
976 1 47 LEU H 1 47 LEU MD2 . . 4.440 4.062 3.500 4.290 . 0 0 "[ . 1 . 2]" 1
977 1 47 LEU H 1 48 GLN H . . 3.170 2.835 2.613 2.956 . 0 0 "[ . 1 . 2]" 1
978 1 47 LEU H 1 49 LEU H . . 4.190 4.099 3.812 4.200 0.010 4 0 "[ . 1 . 2]" 1
979 1 47 LEU HA 1 47 LEU MD1 . . 4.020 2.602 1.963 3.887 . 0 0 "[ . 1 . 2]" 1
980 1 47 LEU HA 1 47 LEU QD . . 2.640 2.051 1.950 2.643 0.003 8 0 "[ . 1 . 2]" 1
981 1 47 LEU HA 1 47 LEU MD2 . . 4.020 3.213 1.968 3.853 . 0 0 "[ . 1 . 2]" 1
982 1 47 LEU HA 1 50 ASN H . . 3.900 3.678 3.455 3.850 . 0 0 "[ . 1 . 2]" 1
983 1 47 LEU HA 1 50 ASN QB . . 4.170 3.146 2.526 4.143 . 0 0 "[ . 1 . 2]" 1
984 1 47 LEU QB 1 47 LEU QD . . 2.790 1.915 1.852 2.015 . 0 0 "[ . 1 . 2]" 1
985 1 47 LEU QB 1 48 GLN H . . 3.190 2.153 2.027 2.270 . 0 0 "[ . 1 . 2]" 1
986 1 47 LEU QB 1 48 GLN QG . . 4.540 3.369 3.064 3.641 . 0 0 "[ . 1 . 2]" 1
987 1 47 LEU HB2 1 48 GLN H . . 3.820 2.994 2.210 3.474 . 0 0 "[ . 1 . 2]" 1
988 1 47 LEU HB3 1 48 GLN H . . 3.820 2.392 2.044 3.075 . 0 0 "[ . 1 . 2]" 1
989 1 47 LEU QD 1 48 GLN H . . 4.050 3.754 3.416 3.863 . 0 0 "[ . 1 . 2]" 1
990 1 47 LEU QD 1 50 ASN H . . 5.320 4.939 4.369 5.329 0.009 8 0 "[ . 1 . 2]" 1
991 1 47 LEU MD1 1 48 GLN H . . 4.640 4.370 3.527 4.613 . 0 0 "[ . 1 . 2]" 1
992 1 47 LEU MD2 1 48 GLN H . . 4.640 4.170 3.910 4.573 . 0 0 "[ . 1 . 2]" 1
993 1 48 GLN H 1 48 GLN HA . . 2.910 2.779 2.766 2.809 . 0 0 "[ . 1 . 2]" 1
994 1 48 GLN H 1 48 GLN QB . . 3.080 2.337 2.160 2.656 . 0 0 "[ . 1 . 2]" 1
995 1 48 GLN H 1 48 GLN HG2 . . 3.540 3.090 1.985 3.513 . 0 0 "[ . 1 . 2]" 1
996 1 48 GLN H 1 48 GLN QG . . 3.080 2.512 1.938 2.901 . 0 0 "[ . 1 . 2]" 1
997 1 48 GLN H 1 48 GLN HG3 . . 3.540 2.924 2.123 3.604 0.064 20 0 "[ . 1 . 2]" 1
998 1 48 GLN H 1 49 LEU H . . 2.950 2.820 2.683 2.881 . 0 0 "[ . 1 . 2]" 1
999 1 48 GLN H 1 50 ASN H . . 4.350 4.159 4.003 4.355 0.005 18 0 "[ . 1 . 2]" 1
1000 1 48 GLN HA 1 48 GLN HG2 . . 3.570 2.497 2.194 3.742 0.172 11 0 "[ . 1 . 2]" 1
1001 1 48 GLN HA 1 48 GLN HG3 . . 3.570 3.344 2.956 3.709 0.139 11 0 "[ . 1 . 2]" 1
1002 1 48 GLN QB 1 49 LEU H . . 3.510 2.527 2.329 3.347 . 0 0 "[ . 1 . 2]" 1
1003 1 48 GLN QG 1 49 LEU H . . 4.390 4.039 1.954 4.352 . 0 0 "[ . 1 . 2]" 1
1004 1 49 LEU H 1 49 LEU HA . . 2.940 2.776 2.756 2.806 . 0 0 "[ . 1 . 2]" 1
1005 1 49 LEU H 1 49 LEU HB2 . . 3.280 2.449 2.139 2.717 . 0 0 "[ . 1 . 2]" 1
1006 1 49 LEU H 1 49 LEU QB . . 2.750 2.192 2.092 2.230 . 0 0 "[ . 1 . 2]" 1
1007 1 49 LEU H 1 49 LEU HB3 . . 3.280 2.579 2.307 2.961 . 0 0 "[ . 1 . 2]" 1
1008 1 49 LEU H 1 49 LEU MD1 . . 4.680 4.147 3.993 4.277 . 0 0 "[ . 1 . 2]" 1
1009 1 49 LEU H 1 49 LEU QD . . 4.110 3.626 3.454 3.731 . 0 0 "[ . 1 . 2]" 1
1010 1 49 LEU H 1 49 LEU MD2 . . 4.680 4.039 3.649 4.244 . 0 0 "[ . 1 . 2]" 1
1011 1 49 LEU H 1 49 LEU HG . . 5.040 4.454 4.076 4.581 . 0 0 "[ . 1 . 2]" 1
1012 1 49 LEU H 1 50 ASN QB . . 5.060 4.556 4.385 4.669 . 0 0 "[ . 1 . 2]" 1
1013 1 49 LEU HA 1 49 LEU MD1 . . 3.940 2.550 2.061 3.814 . 0 0 "[ . 1 . 2]" 1
1014 1 49 LEU HA 1 49 LEU QD . . 2.670 2.099 1.935 2.387 . 0 0 "[ . 1 . 2]" 1
1015 1 49 LEU HA 1 49 LEU MD2 . . 3.940 3.073 1.948 3.928 . 0 0 "[ . 1 . 2]" 1
1016 1 49 LEU HA 1 49 LEU HG . . 4.170 3.416 2.579 3.692 . 0 0 "[ . 1 . 2]" 1
1017 1 49 LEU QB 1 50 ASN H . . 3.620 2.659 2.360 2.916 . 0 0 "[ . 1 . 2]" 1
1018 1 49 LEU HB2 1 50 ASN H . . 4.500 3.885 3.558 4.164 . 0 0 "[ . 1 . 2]" 1
1019 1 49 LEU HB3 1 50 ASN H . . 4.500 2.709 2.385 2.980 . 0 0 "[ . 1 . 2]" 1
1020 1 49 LEU MD1 1 50 ASN H . . 5.010 4.017 3.185 4.626 . 0 0 "[ . 1 . 2]" 1
1021 1 49 LEU MD2 1 50 ASN H . . 5.010 4.442 3.727 4.668 . 0 0 "[ . 1 . 2]" 1
1022 1 49 LEU HG 1 50 ASN H . . 5.120 4.305 3.497 5.125 0.005 9 0 "[ . 1 . 2]" 1
1023 1 50 ASN H 1 50 ASN HB2 . . 3.340 2.501 2.079 3.012 . 0 0 "[ . 1 . 2]" 1
1024 1 50 ASN H 1 50 ASN QB . . 2.850 2.313 2.058 2.859 0.009 5 0 "[ . 1 . 2]" 1
1025 1 50 ASN H 1 50 ASN HB3 . . 3.340 2.816 2.442 3.561 0.221 5 0 "[ . 1 . 2]" 1
1026 1 50 ASN H 1 51 ASN H . . 3.290 2.674 2.409 2.793 . 0 0 "[ . 1 . 2]" 1
1027 1 50 ASN QB 1 51 ASN H . . 3.770 3.266 2.503 3.826 0.056 5 0 "[ . 1 . 2]" 1
1028 1 51 ASN H 1 51 ASN QB . . 3.560 2.380 2.151 3.181 . 0 0 "[ . 1 . 2]" 1
1029 1 51 ASN H 1 52 ASN H . . 3.630 2.590 2.196 2.942 . 0 0 "[ . 1 . 2]" 1
1030 1 51 ASN QB 1 52 ASN H . . 3.870 2.843 2.035 3.790 . 0 0 "[ . 1 . 2]" 1
1031 1 51 ASN HB2 1 52 ASN H . . 4.450 3.661 2.528 4.443 . 0 0 "[ . 1 . 2]" 1
1032 1 51 ASN HB3 1 52 ASN H . . 4.450 3.120 2.054 4.356 . 0 0 "[ . 1 . 2]" 1
1033 1 52 ASN H 1 52 ASN QB . . 3.590 2.523 2.253 3.187 . 0 0 "[ . 1 . 2]" 1
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