NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
566981 |
2lz4   |
18648 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lz4
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 615
_Distance_constraint_stats_list.Viol_count 1541
_Distance_constraint_stats_list.Viol_total 4783.301
_Distance_constraint_stats_list.Viol_max 0.494
_Distance_constraint_stats_list.Viol_rms 0.0613
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0176
_Distance_constraint_stats_list.Viol_average_violations_only 0.1478
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 1 LYS 0.746 0.114 3 0 "[ . 1 . 2 ]"
1 2 GLY 2.114 0.201 10 0 "[ . 1 . 2 ]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 ILE 3.937 0.210 9 0 "[ . 1 . 2 ]"
1 5 ILE 5.300 0.316 13 0 "[ . 1 . 2 ]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 LEU 5.670 0.391 21 0 "[ . 1 . 2 ]"
1 8 MET 35.426 0.494 14 0 "[ . 1 . 2 ]"
1 9 VAL 5.418 0.284 6 0 "[ . 1 . 2 ]"
1 10 GLY 0.714 0.132 13 0 "[ . 1 . 2 ]"
1 11 GLY 11.972 0.437 21 0 "[ . 1 . 2 ]"
1 12 VAL 3.340 0.124 1 0 "[ . 1 . 2 ]"
1 13 VAL 8.768 0.487 12 0 "[ . 1 . 2 ]"
1 14 ILE 1.939 0.394 21 0 "[ . 1 . 2 ]"
1 15 ALA 3.462 0.293 12 0 "[ . 1 . 2 ]"
1 16 THR 19.839 0.487 12 0 "[ . 1 . 2 ]"
1 17 MET 10.281 0.386 15 0 "[ . 1 . 2 ]"
1 18 ILE 4.062 0.382 12 0 "[ . 1 . 2 ]"
1 19 VAL 13.487 0.449 14 0 "[ . 1 . 2 ]"
1 20 ILE 20.675 0.431 4 0 "[ . 1 . 2 ]"
1 21 THR 8.132 0.382 12 0 "[ . 1 . 2 ]"
1 22 LEU 19.894 0.385 15 0 "[ . 1 . 2 ]"
1 23 VAL 4.910 0.280 15 0 "[ . 1 . 2 ]"
1 24 MET 2.805 0.258 8 0 "[ . 1 . 2 ]"
1 25 LEU 2.159 0.306 18 0 "[ . 1 . 2 ]"
1 26 LYS 4.065 0.328 18 0 "[ . 1 . 2 ]"
1 27 LYS 3.311 0.280 18 0 "[ . 1 . 2 ]"
1 28 LYS 3.564 0.280 18 0 "[ . 1 . 2 ]"
2 1 LYS 0.759 0.115 4 0 "[ . 1 . 2 ]"
2 2 GLY 2.115 0.207 10 0 "[ . 1 . 2 ]"
2 3 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 4 ILE 3.932 0.210 9 0 "[ . 1 . 2 ]"
2 5 ILE 5.275 0.315 13 0 "[ . 1 . 2 ]"
2 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 7 LEU 5.731 0.387 21 0 "[ . 1 . 2 ]"
2 8 MET 35.300 0.493 14 0 "[ . 1 . 2 ]"
2 9 VAL 5.413 0.287 6 0 "[ . 1 . 2 ]"
2 10 GLY 0.715 0.131 13 0 "[ . 1 . 2 ]"
2 11 GLY 11.987 0.435 21 0 "[ . 1 . 2 ]"
2 12 VAL 3.297 0.124 1 0 "[ . 1 . 2 ]"
2 13 VAL 8.798 0.486 12 0 "[ . 1 . 2 ]"
2 14 ILE 1.952 0.392 21 0 "[ . 1 . 2 ]"
2 15 ALA 3.487 0.295 12 0 "[ . 1 . 2 ]"
2 16 THR 19.913 0.486 12 0 "[ . 1 . 2 ]"
2 17 MET 10.242 0.385 15 0 "[ . 1 . 2 ]"
2 18 ILE 4.055 0.381 12 0 "[ . 1 . 2 ]"
2 19 VAL 13.448 0.450 14 0 "[ . 1 . 2 ]"
2 20 ILE 20.635 0.431 4 0 "[ . 1 . 2 ]"
2 21 THR 8.085 0.381 12 0 "[ . 1 . 2 ]"
2 22 LEU 19.931 0.388 21 0 "[ . 1 . 2 ]"
2 23 VAL 4.904 0.280 15 0 "[ . 1 . 2 ]"
2 24 MET 2.809 0.260 8 0 "[ . 1 . 2 ]"
2 25 LEU 2.171 0.305 18 0 "[ . 1 . 2 ]"
2 26 LYS 4.072 0.330 18 0 "[ . 1 . 2 ]"
2 27 LYS 3.308 0.279 18 0 "[ . 1 . 2 ]"
2 28 LYS 3.573 0.279 18 0 "[ . 1 . 2 ]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 LYS HA 1 4 ILE H 4.470 . 4.470 3.845 3.146 4.584 0.114 3 0 "[ . 1 . 2 ]" 1
2 1 1 LYS HA 1 4 ILE MD 4.780 . 4.780 3.316 2.253 4.379 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 LYS QD 1 4 ILE MD 4.100 . 4.100 3.092 2.164 4.184 0.084 5 0 "[ . 1 . 2 ]" 1
4 1 1 LYS QD 1 4 ILE QG 4.110 . 4.110 3.496 2.763 4.005 . 0 0 "[ . 1 . 2 ]" 1
5 1 1 LYS QG 1 4 ILE MD 3.860 . 3.860 3.527 2.809 3.953 0.093 3 0 "[ . 1 . 2 ]" 1
6 1 2 GLY HA2 1 4 ILE H 3.900 . 3.900 3.863 3.386 4.101 0.201 10 0 "[ . 1 . 2 ]" 1
7 1 2 GLY HA2 1 5 ILE H 3.760 . 3.760 3.526 3.382 3.800 0.040 5 0 "[ . 1 . 2 ]" 1
8 1 2 GLY HA2 1 5 ILE QG 5.540 . 5.540 5.306 5.029 5.663 0.123 12 0 "[ . 1 . 2 ]" 1
9 1 2 GLY HA2 1 5 ILE MG 3.800 . 3.800 2.917 2.226 3.868 0.068 13 0 "[ . 1 . 2 ]" 1
10 1 2 GLY HA3 1 5 ILE MG 4.350 . 4.350 3.791 3.380 4.266 . 0 0 "[ . 1 . 2 ]" 1
11 1 3 ALA MB 1 4 ILE H 3.760 . 3.760 2.784 2.617 2.947 . 0 0 "[ . 1 . 2 ]" 1
12 1 3 ALA MB 1 4 ILE MD 4.890 . 4.890 3.739 2.207 4.749 . 0 0 "[ . 1 . 2 ]" 1
13 1 3 ALA MB 1 5 ILE MG 5.200 . 5.200 5.010 4.749 5.165 . 0 0 "[ . 1 . 2 ]" 1
14 1 4 ILE H 1 4 ILE HB 3.600 . 3.600 2.425 2.268 2.610 . 0 0 "[ . 1 . 2 ]" 1
15 1 4 ILE H 1 4 ILE MD 4.540 . 4.540 2.870 1.698 3.504 . 0 0 "[ . 1 . 2 ]" 1
16 1 4 ILE H 1 4 ILE HG12 4.180 . 4.180 3.427 1.966 3.917 . 0 0 "[ . 1 . 2 ]" 1
17 1 4 ILE H 1 4 ILE QG 3.530 . 3.530 2.492 1.956 3.358 . 0 0 "[ . 1 . 2 ]" 1
18 1 4 ILE H 1 4 ILE HG13 4.180 . 4.180 2.813 2.162 3.805 . 0 0 "[ . 1 . 2 ]" 1
19 1 4 ILE H 1 4 ILE MG 4.170 . 4.170 3.739 3.691 3.758 . 0 0 "[ . 1 . 2 ]" 1
20 1 4 ILE H 1 5 ILE H 3.930 . 3.930 2.750 2.643 2.841 . 0 0 "[ . 1 . 2 ]" 1
21 1 4 ILE HA 1 4 ILE MD 4.550 . 4.550 3.226 2.088 3.827 . 0 0 "[ . 1 . 2 ]" 1
22 1 4 ILE HA 1 7 LEU H 4.530 . 4.530 3.975 3.117 4.374 . 0 0 "[ . 1 . 2 ]" 1
23 1 4 ILE HB 1 4 ILE MD 3.660 . 3.660 2.418 2.234 3.219 . 0 0 "[ . 1 . 2 ]" 1
24 1 4 ILE HB 1 5 ILE H 3.830 . 3.830 2.474 2.209 2.718 . 0 0 "[ . 1 . 2 ]" 1
25 1 4 ILE MG 1 8 MET HG2 5.460 . 5.460 5.026 3.896 5.559 0.099 19 0 "[ . 1 . 2 ]" 1
26 1 4 ILE MG 1 8 MET HG3 4.990 . 4.990 4.788 3.945 5.200 0.210 9 0 "[ . 1 . 2 ]" 1
27 1 4 ILE MG 2 5 ILE MD 5.500 . 5.500 4.940 2.201 5.637 0.137 2 0 "[ . 1 . 2 ]" 1
28 1 5 ILE H 1 5 ILE HB 3.510 . 3.510 2.367 2.189 2.492 . 0 0 "[ . 1 . 2 ]" 1
29 1 5 ILE H 1 5 ILE MD 3.910 . 3.910 3.875 3.542 4.162 0.252 20 0 "[ . 1 . 2 ]" 1
30 1 5 ILE H 1 5 ILE HG12 4.830 . 4.830 4.641 4.078 4.710 . 0 0 "[ . 1 . 2 ]" 1
31 1 5 ILE H 1 5 ILE QG 4.230 . 4.230 4.054 3.813 4.079 . 0 0 "[ . 1 . 2 ]" 1
32 1 5 ILE H 1 5 ILE HG13 4.830 . 4.830 4.480 4.449 4.583 . 0 0 "[ . 1 . 2 ]" 1
33 1 5 ILE H 1 6 GLY H 4.290 . 4.290 2.577 2.326 2.701 . 0 0 "[ . 1 . 2 ]" 1
34 1 5 ILE HA 1 5 ILE MD 3.900 . 3.900 2.211 2.139 2.270 . 0 0 "[ . 1 . 2 ]" 1
35 1 5 ILE HA 1 8 MET H 4.320 . 4.320 3.136 2.879 3.642 . 0 0 "[ . 1 . 2 ]" 1
36 1 5 ILE HA 1 9 VAL H 4.520 . 4.520 3.844 3.554 4.410 . 0 0 "[ . 1 . 2 ]" 1
37 1 5 ILE HB 1 6 GLY H 4.590 . 4.590 3.736 3.571 3.926 . 0 0 "[ . 1 . 2 ]" 1
38 1 5 ILE MD 1 8 MET HB2 4.110 . 4.110 3.337 2.900 4.111 0.001 16 0 "[ . 1 . 2 ]" 1
39 1 5 ILE MD 1 8 MET HG3 4.620 . 4.620 3.061 2.541 4.226 . 0 0 "[ . 1 . 2 ]" 1
40 1 5 ILE MD 2 4 ILE MG 5.500 . 5.500 4.942 2.202 5.636 0.136 2 0 "[ . 1 . 2 ]" 1
41 1 5 ILE MG 1 6 GLY H 4.810 . 4.810 1.911 1.766 2.211 . 0 0 "[ . 1 . 2 ]" 1
42 1 5 ILE MG 1 8 MET HB3 4.840 . 4.840 4.407 4.180 4.567 . 0 0 "[ . 1 . 2 ]" 1
43 1 5 ILE MG 1 8 MET HG3 5.790 . 5.790 5.934 5.733 6.106 0.316 13 0 "[ . 1 . 2 ]" 1
44 1 6 GLY H 1 7 LEU H 4.500 . 4.500 3.004 2.740 3.221 . 0 0 "[ . 1 . 2 ]" 1
45 1 6 GLY QA 1 9 VAL H 4.610 . 4.610 4.107 3.911 4.429 . 0 0 "[ . 1 . 2 ]" 1
46 1 7 LEU H 1 7 LEU QB 3.600 . 3.600 2.275 2.161 2.670 . 0 0 "[ . 1 . 2 ]" 1
47 1 7 LEU H 1 7 LEU QD 4.600 . 4.600 3.011 1.807 3.739 . 0 0 "[ . 1 . 2 ]" 1
48 1 7 LEU H 1 7 LEU HG 4.140 . 4.140 3.682 1.873 4.454 0.314 1 0 "[ . 1 . 2 ]" 1
49 1 7 LEU HA 1 7 LEU QD 3.890 . 3.890 2.189 1.957 3.423 . 0 0 "[ . 1 . 2 ]" 1
50 1 7 LEU HA 1 10 GLY H 5.040 . 5.040 3.394 3.180 3.584 . 0 0 "[ . 1 . 2 ]" 1
51 1 7 LEU QB 1 8 MET H 3.720 . 3.720 2.880 2.595 3.586 . 0 0 "[ . 1 . 2 ]" 1
52 1 7 LEU QB 1 8 MET HA 5.390 . 5.390 4.077 3.889 4.573 . 0 0 "[ . 1 . 2 ]" 1
53 1 7 LEU QB 1 8 MET HB2 5.110 . 5.110 4.426 4.113 5.236 0.126 8 0 "[ . 1 . 2 ]" 1
54 1 7 LEU HB2 1 8 MET H 4.420 . 4.420 3.514 2.780 4.136 . 0 0 "[ . 1 . 2 ]" 1
55 1 7 LEU HB3 1 8 MET H 4.420 . 4.420 3.323 2.632 4.034 . 0 0 "[ . 1 . 2 ]" 1
56 1 7 LEU QD 2 8 MET ME . . 3.980 3.749 2.481 4.371 0.391 21 0 "[ . 1 . 2 ]" 1
57 1 7 LEU MD1 1 8 MET H 4.650 . 4.650 4.431 2.621 4.786 0.136 17 0 "[ . 1 . 2 ]" 1
58 1 7 LEU MD2 1 8 MET H 4.650 . 4.650 4.375 3.726 4.833 0.183 19 0 "[ . 1 . 2 ]" 1
59 1 8 MET H 1 8 MET HB2 4.050 . 4.050 2.303 2.156 2.535 . 0 0 "[ . 1 . 2 ]" 1
60 1 8 MET H 1 8 MET HB3 3.760 . 3.760 2.557 2.245 2.738 . 0 0 "[ . 1 . 2 ]" 1
61 1 8 MET H 1 8 MET HG2 3.950 . 3.950 4.266 4.139 4.444 0.494 14 0 "[ . 1 . 2 ]" 1
62 1 8 MET H 1 8 MET HG3 4.070 . 4.070 4.403 4.259 4.537 0.467 20 0 "[ . 1 . 2 ]" 1
63 1 8 MET H 1 9 VAL H 3.900 . 3.900 2.948 2.864 3.076 . 0 0 "[ . 1 . 2 ]" 1
64 1 8 MET HA 1 8 MET ME 4.140 . 4.140 3.011 2.458 3.685 . 0 0 "[ . 1 . 2 ]" 1
65 1 8 MET HA 1 8 MET HG2 4.110 . 4.110 2.649 2.258 3.792 . 0 0 "[ . 1 . 2 ]" 1
66 1 8 MET HA 1 11 GLY H 4.560 . 4.560 3.832 3.363 4.491 . 0 0 "[ . 1 . 2 ]" 1
67 1 8 MET HB2 1 9 VAL H 4.390 . 4.390 3.518 3.322 3.735 . 0 0 "[ . 1 . 2 ]" 1
68 1 8 MET ME 1 9 VAL MG1 3.640 . 3.640 3.756 2.816 3.924 0.284 6 0 "[ . 1 . 2 ]" 1
69 1 8 MET ME 1 11 GLY H 4.540 . 4.540 4.676 4.312 4.977 0.437 21 0 "[ . 1 . 2 ]" 1
70 1 8 MET ME 2 7 LEU QD . . 3.980 3.750 2.518 4.367 0.387 21 0 "[ . 1 . 2 ]" 1
71 1 8 MET ME 2 11 GLY H 3.000 . 3.000 3.309 3.057 3.421 0.421 16 0 "[ . 1 . 2 ]" 1
72 1 8 MET HG3 1 9 VAL MG1 5.160 . 5.160 3.941 2.736 4.846 . 0 0 "[ . 1 . 2 ]" 1
73 1 8 MET SD 2 8 MET SD 4.000 4.000 8.000 6.063 3.809 7.015 0.191 9 0 "[ . 1 . 2 ]" 1
74 1 9 VAL H 1 9 VAL HB 3.660 . 3.660 3.587 3.566 3.621 . 0 0 "[ . 1 . 2 ]" 1
75 1 9 VAL H 1 9 VAL MG1 4.090 . 4.090 2.114 1.877 2.246 . 0 0 "[ . 1 . 2 ]" 1
76 1 9 VAL H 1 9 VAL MG2 3.490 . 3.490 1.943 1.804 2.232 . 0 0 "[ . 1 . 2 ]" 1
77 1 9 VAL H 1 10 GLY H 3.960 . 3.960 2.639 2.555 2.746 . 0 0 "[ . 1 . 2 ]" 1
78 1 9 VAL HA 1 9 VAL MG1 3.500 . 3.500 2.315 2.225 2.398 . 0 0 "[ . 1 . 2 ]" 1
79 1 9 VAL HA 1 12 VAL H 4.070 . 4.070 3.949 3.760 4.051 . 0 0 "[ . 1 . 2 ]" 1
80 1 9 VAL HA 1 12 VAL MG2 4.030 . 4.030 2.377 2.128 3.662 . 0 0 "[ . 1 . 2 ]" 1
81 1 9 VAL HB 1 10 GLY H 4.030 . 4.030 4.003 3.447 4.162 0.132 13 0 "[ . 1 . 2 ]" 1
82 1 9 VAL MG1 1 10 GLY H 4.240 . 4.240 4.011 3.692 4.151 . 0 0 "[ . 1 . 2 ]" 1
83 1 9 VAL MG1 1 11 GLY H 5.570 . 5.570 5.568 5.393 5.682 0.112 4 0 "[ . 1 . 2 ]" 1
84 1 9 VAL MG2 1 10 GLY H 4.600 . 4.600 2.349 1.723 2.543 . 0 0 "[ . 1 . 2 ]" 1
85 1 9 VAL MG2 1 11 GLY H 5.480 . 5.480 4.496 4.285 4.622 . 0 0 "[ . 1 . 2 ]" 1
86 1 10 GLY QA 1 13 VAL H 4.050 . 4.050 3.505 3.348 3.587 . 0 0 "[ . 1 . 2 ]" 1
87 1 10 GLY QA 1 13 VAL MG2 4.080 . 4.080 3.026 2.782 3.217 . 0 0 "[ . 1 . 2 ]" 1
88 1 11 GLY H 1 12 VAL H 3.950 . 3.950 2.895 2.789 3.033 . 0 0 "[ . 1 . 2 ]" 1
89 1 11 GLY H 1 12 VAL MG2 5.720 . 5.720 3.637 3.468 4.107 . 0 0 "[ . 1 . 2 ]" 1
90 1 11 GLY H 2 8 MET ME 3.000 . 3.000 3.308 3.062 3.426 0.426 16 0 "[ . 1 . 2 ]" 1
91 1 11 GLY HA2 1 14 ILE H 3.790 . 3.790 3.435 3.225 3.692 . 0 0 "[ . 1 . 2 ]" 1
92 1 11 GLY HA2 1 14 ILE HB 4.990 . 4.990 2.847 2.594 3.808 . 0 0 "[ . 1 . 2 ]" 1
93 1 11 GLY HA2 1 14 ILE QG 4.890 . 4.890 3.302 2.604 4.089 . 0 0 "[ . 1 . 2 ]" 1
94 1 11 GLY HA3 1 14 ILE H 4.540 . 4.540 4.616 4.486 4.934 0.394 21 0 "[ . 1 . 2 ]" 1
95 1 12 VAL H 1 12 VAL HB 3.520 . 3.520 3.617 3.585 3.641 0.121 1 0 "[ . 1 . 2 ]" 1
96 1 12 VAL H 1 12 VAL MG1 3.780 . 3.780 2.259 2.122 2.461 . 0 0 "[ . 1 . 2 ]" 1
97 1 12 VAL H 1 12 VAL MG2 3.420 . 3.420 1.852 1.757 1.985 . 0 0 "[ . 1 . 2 ]" 1
98 1 12 VAL H 1 13 VAL H 3.840 . 3.840 2.925 2.437 3.105 . 0 0 "[ . 1 . 2 ]" 1
99 1 12 VAL HA 1 12 VAL MG1 3.510 . 3.510 2.291 2.213 2.407 . 0 0 "[ . 1 . 2 ]" 1
100 1 12 VAL HA 1 15 ALA H 3.980 . 3.980 3.642 3.277 4.097 0.117 19 0 "[ . 1 . 2 ]" 1
101 1 12 VAL HA 1 15 ALA MB 3.920 . 3.920 2.684 2.463 3.199 . 0 0 "[ . 1 . 2 ]" 1
102 1 12 VAL MG1 2 13 VAL H 5.000 . 5.000 4.769 4.497 5.089 0.089 20 0 "[ . 1 . 2 ]" 1
103 1 12 VAL MG1 2 15 ALA MB 5.500 . 5.500 2.285 2.026 2.707 . 0 0 "[ . 1 . 2 ]" 1
104 1 12 VAL MG1 2 16 THR H 5.000 . 5.000 4.998 4.604 5.124 0.124 1 0 "[ . 1 . 2 ]" 1
105 1 13 VAL H 1 13 VAL HB 3.420 . 3.420 2.505 2.364 2.635 . 0 0 "[ . 1 . 2 ]" 1
106 1 13 VAL H 1 13 VAL MG1 3.810 . 3.810 3.748 3.730 3.790 . 0 0 "[ . 1 . 2 ]" 1
107 1 13 VAL H 1 13 VAL MG2 3.450 . 3.450 2.172 1.895 2.575 . 0 0 "[ . 1 . 2 ]" 1
108 1 13 VAL H 2 12 VAL MG1 5.000 . 5.000 4.767 4.483 5.092 0.092 21 0 "[ . 1 . 2 ]" 1
109 1 13 VAL HA 1 13 VAL MG1 3.740 . 3.740 2.330 2.271 2.430 . 0 0 "[ . 1 . 2 ]" 1
110 1 13 VAL HA 1 13 VAL MG2 3.570 . 3.570 2.274 2.238 2.370 . 0 0 "[ . 1 . 2 ]" 1
111 1 13 VAL HA 1 16 THR H 4.280 . 4.280 3.565 3.411 3.943 . 0 0 "[ . 1 . 2 ]" 1
112 1 13 VAL HA 1 16 THR HB 4.830 . 4.830 4.415 3.340 4.817 . 0 0 "[ . 1 . 2 ]" 1
113 1 13 VAL HA 1 17 MET H 4.910 . 4.910 4.605 4.288 4.796 . 0 0 "[ . 1 . 2 ]" 1
114 1 13 VAL HB 1 14 ILE H 3.790 . 3.790 2.538 2.467 2.644 . 0 0 "[ . 1 . 2 ]" 1
115 1 13 VAL HB 1 14 ILE MG 5.830 . 5.830 5.460 5.342 5.577 . 0 0 "[ . 1 . 2 ]" 1
116 1 13 VAL HB 1 15 ALA H 4.940 . 4.940 5.051 4.974 5.233 0.293 12 0 "[ . 1 . 2 ]" 1
117 1 13 VAL HB 1 16 THR MG 4.980 . 4.980 4.826 4.322 5.040 0.060 1 0 "[ . 1 . 2 ]" 1
118 1 13 VAL MG1 1 14 ILE H 4.000 . 4.000 3.312 3.098 3.500 . 0 0 "[ . 1 . 2 ]" 1
119 1 13 VAL MG1 1 14 ILE HA 3.980 . 3.980 3.336 3.168 3.458 . 0 0 "[ . 1 . 2 ]" 1
120 1 13 VAL MG1 1 16 THR H 4.470 . 4.470 4.646 4.500 4.957 0.487 12 0 "[ . 1 . 2 ]" 1
121 1 13 VAL MG1 1 16 THR MG 3.770 . 3.770 3.701 3.014 4.036 0.266 1 0 "[ . 1 . 2 ]" 1
122 1 13 VAL MG1 1 17 MET H 4.830 . 4.830 4.450 4.288 4.554 . 0 0 "[ . 1 . 2 ]" 1
123 1 13 VAL MG1 1 17 MET ME 4.180 . 4.180 3.431 3.049 4.049 . 0 0 "[ . 1 . 2 ]" 1
124 1 13 VAL MG2 1 14 ILE H 4.500 . 4.500 3.847 3.758 3.956 . 0 0 "[ . 1 . 2 ]" 1
125 1 14 ILE H 1 14 ILE HB 3.560 . 3.560 2.534 2.438 2.666 . 0 0 "[ . 1 . 2 ]" 1
126 1 14 ILE H 1 14 ILE MD 4.290 . 4.290 3.255 2.822 3.756 . 0 0 "[ . 1 . 2 ]" 1
127 1 14 ILE H 1 14 ILE HG12 4.050 . 4.050 2.950 2.011 3.673 . 0 0 "[ . 1 . 2 ]" 1
128 1 14 ILE H 1 14 ILE HG13 4.050 . 4.050 2.817 2.189 3.642 . 0 0 "[ . 1 . 2 ]" 1
129 1 14 ILE H 1 14 ILE MG 4.460 . 4.460 3.777 3.756 3.800 . 0 0 "[ . 1 . 2 ]" 1
130 1 14 ILE H 1 15 ALA H 3.740 . 3.740 2.658 2.579 2.725 . 0 0 "[ . 1 . 2 ]" 1
131 1 14 ILE H 1 15 ALA HA 5.510 . 5.510 5.285 5.203 5.339 . 0 0 "[ . 1 . 2 ]" 1
132 1 14 ILE H 1 15 ALA MB 4.860 . 4.860 4.280 4.188 4.342 . 0 0 "[ . 1 . 2 ]" 1
133 1 14 ILE H 1 16 THR H 4.730 . 4.730 4.073 3.977 4.311 . 0 0 "[ . 1 . 2 ]" 1
134 1 14 ILE H 1 17 MET H 5.330 . 5.330 4.808 4.662 4.914 . 0 0 "[ . 1 . 2 ]" 1
135 1 14 ILE HA 1 14 ILE MD 3.900 . 3.900 3.077 2.078 3.822 . 0 0 "[ . 1 . 2 ]" 1
136 1 14 ILE HA 1 17 MET H 3.790 . 3.790 3.408 3.267 3.626 . 0 0 "[ . 1 . 2 ]" 1
137 1 14 ILE HB 1 15 ALA H 3.790 . 3.790 2.388 2.315 2.523 . 0 0 "[ . 1 . 2 ]" 1
138 1 14 ILE MG 1 15 ALA H 3.920 . 3.920 3.260 3.101 3.418 . 0 0 "[ . 1 . 2 ]" 1
139 1 14 ILE MG 1 15 ALA HA 4.690 . 4.690 3.397 3.216 3.601 . 0 0 "[ . 1 . 2 ]" 1
140 1 14 ILE MG 1 17 MET H 5.260 . 5.260 4.290 4.146 4.572 . 0 0 "[ . 1 . 2 ]" 1
141 1 14 ILE MG 1 18 ILE H 4.140 . 4.140 4.035 3.705 4.212 0.072 11 0 "[ . 1 . 2 ]" 1
142 1 14 ILE MG 1 18 ILE HG13 4.110 . 4.110 2.952 2.540 3.120 . 0 0 "[ . 1 . 2 ]" 1
143 1 15 ALA H 1 15 ALA MB 3.210 . 3.210 2.218 2.142 2.253 . 0 0 "[ . 1 . 2 ]" 1
144 1 15 ALA H 1 16 THR H 3.850 . 3.850 2.810 2.766 2.918 . 0 0 "[ . 1 . 2 ]" 1
145 1 15 ALA H 1 16 THR MG 4.980 . 4.980 4.077 3.543 4.808 . 0 0 "[ . 1 . 2 ]" 1
146 1 15 ALA H 1 18 ILE H 5.150 . 5.150 4.908 4.781 5.014 . 0 0 "[ . 1 . 2 ]" 1
147 1 15 ALA H 2 15 ALA MB 5.000 . 5.000 4.948 4.665 5.078 0.078 15 0 "[ . 1 . 2 ]" 1
148 1 15 ALA HA 1 18 ILE H 4.390 . 4.390 3.430 3.360 3.629 . 0 0 "[ . 1 . 2 ]" 1
149 1 15 ALA HA 1 18 ILE HB 4.700 . 4.700 3.175 3.001 3.334 . 0 0 "[ . 1 . 2 ]" 1
150 1 15 ALA HA 1 18 ILE MD 3.970 . 3.970 2.547 2.285 3.040 . 0 0 "[ . 1 . 2 ]" 1
151 1 15 ALA HA 1 18 ILE MG 5.120 . 5.120 4.516 4.422 4.687 . 0 0 "[ . 1 . 2 ]" 1
152 1 15 ALA HA 1 19 VAL H 4.730 . 4.730 4.396 3.876 4.781 0.051 15 0 "[ . 1 . 2 ]" 1
153 1 15 ALA MB 1 16 THR H 3.720 . 3.720 2.569 2.290 2.688 . 0 0 "[ . 1 . 2 ]" 1
154 1 15 ALA MB 1 16 THR MG 4.420 . 4.420 3.163 2.805 4.561 0.141 2 0 "[ . 1 . 2 ]" 1
155 1 15 ALA MB 1 18 ILE MD 4.380 . 4.380 3.776 3.392 4.297 . 0 0 "[ . 1 . 2 ]" 1
156 1 15 ALA MB 2 12 VAL MG1 5.500 . 5.500 2.280 2.023 2.690 . 0 0 "[ . 1 . 2 ]" 1
157 1 15 ALA MB 2 15 ALA H 5.000 . 5.000 4.945 4.661 5.081 0.081 15 0 "[ . 1 . 2 ]" 1
158 1 16 THR H 1 16 THR HB 3.690 . 3.690 3.325 2.200 3.619 . 0 0 "[ . 1 . 2 ]" 1
159 1 16 THR H 1 16 THR MG 3.940 . 3.940 2.091 1.626 2.748 . 0 0 "[ . 1 . 2 ]" 1
160 1 16 THR H 1 18 ILE H 5.140 . 5.140 4.234 4.056 4.387 . 0 0 "[ . 1 . 2 ]" 1
161 1 16 THR H 2 12 VAL MG1 5.000 . 5.000 4.995 4.601 5.124 0.124 1 0 "[ . 1 . 2 ]" 1
162 1 16 THR HA 1 19 VAL H 4.300 . 4.300 3.775 3.510 4.148 . 0 0 "[ . 1 . 2 ]" 1
163 1 16 THR HA 1 19 VAL HB 4.710 . 4.710 4.957 4.603 5.159 0.449 14 0 "[ . 1 . 2 ]" 1
164 1 16 THR HA 1 19 VAL MG2 3.230 . 3.230 2.205 2.066 2.336 . 0 0 "[ . 1 . 2 ]" 1
165 1 16 THR HA 1 20 ILE H 4.330 . 4.330 4.477 4.093 4.710 0.380 18 0 "[ . 1 . 2 ]" 1
166 1 16 THR HB 1 17 MET H 4.210 . 4.210 4.126 3.817 4.444 0.234 20 0 "[ . 1 . 2 ]" 1
167 1 16 THR HB 1 20 ILE H 6.000 . 6.000 5.864 5.391 6.426 0.426 2 0 "[ . 1 . 2 ]" 1
168 1 16 THR MG 1 17 MET H 4.230 . 4.230 3.482 2.315 3.962 . 0 0 "[ . 1 . 2 ]" 1
169 1 16 THR MG 1 17 MET ME 4.040 . 4.040 3.792 2.369 4.263 0.223 13 0 "[ . 1 . 2 ]" 1
170 1 17 MET H 1 17 MET QG 3.640 . 3.640 3.073 2.429 3.853 0.213 12 0 "[ . 1 . 2 ]" 1
171 1 17 MET H 1 18 ILE H 3.820 . 3.820 2.437 2.317 2.605 . 0 0 "[ . 1 . 2 ]" 1
172 1 17 MET H 1 18 ILE HB 4.620 . 4.620 4.568 4.458 4.688 0.068 7 0 "[ . 1 . 2 ]" 1
173 1 17 MET H 1 18 ILE HG13 4.280 . 4.280 4.105 3.930 4.333 0.053 8 0 "[ . 1 . 2 ]" 1
174 1 17 MET H 1 19 VAL MG2 4.420 . 4.420 4.001 3.828 4.094 . 0 0 "[ . 1 . 2 ]" 1
175 1 17 MET H 1 20 ILE H 4.870 . 4.870 4.882 4.656 5.088 0.218 10 0 "[ . 1 . 2 ]" 1
176 1 17 MET HA 1 19 VAL H 4.810 . 4.810 4.619 4.469 4.817 0.007 10 0 "[ . 1 . 2 ]" 1
177 1 17 MET HA 1 20 ILE H 4.360 . 4.360 3.603 3.305 4.006 . 0 0 "[ . 1 . 2 ]" 1
178 1 17 MET HA 1 20 ILE MD 4.140 . 4.140 3.549 2.878 3.975 . 0 0 "[ . 1 . 2 ]" 1
179 1 17 MET HA 1 20 ILE MG 5.240 . 5.240 3.896 2.981 4.736 . 0 0 "[ . 1 . 2 ]" 1
180 1 17 MET HA 1 21 THR H 5.230 . 5.230 5.281 4.977 5.560 0.330 12 0 "[ . 1 . 2 ]" 1
181 1 17 MET QB 1 18 ILE H 4.150 . 4.150 2.824 2.699 2.971 . 0 0 "[ . 1 . 2 ]" 1
182 1 17 MET QB 1 19 VAL H 4.880 . 4.880 4.946 4.854 5.024 0.144 13 0 "[ . 1 . 2 ]" 1
183 1 17 MET ME 1 19 VAL MG2 4.720 . 4.720 4.559 4.314 4.859 0.139 12 0 "[ . 1 . 2 ]" 1
184 1 17 MET ME 2 22 LEU MD1 5.500 . 5.500 5.494 4.634 5.886 0.386 15 0 "[ . 1 . 2 ]" 1
185 1 18 ILE H 1 18 ILE HB 3.620 . 3.620 2.393 2.344 2.441 . 0 0 "[ . 1 . 2 ]" 1
186 1 18 ILE H 1 18 ILE HG12 4.000 . 4.000 3.591 3.534 3.758 . 0 0 "[ . 1 . 2 ]" 1
187 1 18 ILE H 1 18 ILE HG13 4.400 . 4.400 2.232 2.163 2.440 . 0 0 "[ . 1 . 2 ]" 1
188 1 18 ILE H 1 18 ILE MG 4.430 . 4.430 3.720 3.702 3.747 . 0 0 "[ . 1 . 2 ]" 1
189 1 18 ILE H 1 19 VAL H 3.710 . 3.710 2.688 2.344 2.752 . 0 0 "[ . 1 . 2 ]" 1
190 1 18 ILE H 1 20 ILE H 5.440 . 5.440 4.086 3.948 4.255 . 0 0 "[ . 1 . 2 ]" 1
191 1 18 ILE HA 1 18 ILE MD 4.160 . 4.160 3.816 3.800 3.827 . 0 0 "[ . 1 . 2 ]" 1
192 1 18 ILE HA 1 18 ILE HG13 4.090 . 4.090 2.808 2.766 2.846 . 0 0 "[ . 1 . 2 ]" 1
193 1 18 ILE HA 1 18 ILE MG 3.630 . 3.630 2.372 2.339 2.398 . 0 0 "[ . 1 . 2 ]" 1
194 1 18 ILE HA 1 21 THR H 4.150 . 4.150 3.811 3.539 4.149 . 0 0 "[ . 1 . 2 ]" 1
195 1 18 ILE HB 1 19 VAL H 3.890 . 3.890 2.528 2.449 2.656 . 0 0 "[ . 1 . 2 ]" 1
196 1 18 ILE HG13 1 19 VAL H 5.300 . 5.300 4.344 4.302 4.401 . 0 0 "[ . 1 . 2 ]" 1
197 1 18 ILE MG 1 19 VAL H 4.080 . 4.080 3.241 3.177 3.403 . 0 0 "[ . 1 . 2 ]" 1
198 1 18 ILE MG 1 19 VAL HB 6.000 . 6.000 5.202 5.042 5.326 . 0 0 "[ . 1 . 2 ]" 1
199 1 18 ILE MG 1 21 THR MG 3.610 . 3.610 3.385 2.937 3.992 0.382 12 0 "[ . 1 . 2 ]" 1
200 1 18 ILE MG 1 22 LEU H 4.540 . 4.540 4.290 3.731 4.865 0.325 15 0 "[ . 1 . 2 ]" 1
201 1 19 VAL H 1 19 VAL HB 3.730 . 3.730 3.585 3.534 3.630 . 0 0 "[ . 1 . 2 ]" 1
202 1 19 VAL H 1 19 VAL MG1 3.920 . 3.920 2.114 1.839 2.400 . 0 0 "[ . 1 . 2 ]" 1
203 1 19 VAL H 1 19 VAL MG2 3.390 . 3.390 2.018 1.796 2.216 . 0 0 "[ . 1 . 2 ]" 1
204 1 19 VAL H 1 20 ILE H 3.720 . 3.720 2.721 2.594 2.858 . 0 0 "[ . 1 . 2 ]" 1
205 1 19 VAL H 2 19 VAL MG2 5.000 . 5.000 4.717 4.443 4.993 . 0 0 "[ . 1 . 2 ]" 1
206 1 19 VAL HA 1 19 VAL MG1 3.390 . 3.390 2.332 2.209 2.473 . 0 0 "[ . 1 . 2 ]" 1
207 1 19 VAL HA 1 19 VAL MG2 3.320 . 3.320 3.191 3.174 3.203 . 0 0 "[ . 1 . 2 ]" 1
208 1 19 VAL HA 1 22 LEU H 4.000 . 4.000 2.952 2.778 3.170 . 0 0 "[ . 1 . 2 ]" 1
209 1 19 VAL HA 1 22 LEU HB2 4.340 . 4.340 3.155 2.744 3.750 . 0 0 "[ . 1 . 2 ]" 1
210 1 19 VAL HB 1 20 ILE H 3.800 . 3.800 3.763 3.644 3.854 0.054 8 0 "[ . 1 . 2 ]" 1
211 1 19 VAL HB 1 21 THR H 6.000 . 6.000 5.163 4.770 5.631 . 0 0 "[ . 1 . 2 ]" 1
212 1 19 VAL HB 1 22 LEU H 5.380 . 5.380 4.645 4.293 5.097 . 0 0 "[ . 1 . 2 ]" 1
213 1 19 VAL HB 1 22 LEU MD1 3.880 . 3.880 4.011 3.739 4.211 0.331 15 0 "[ . 1 . 2 ]" 1
214 1 19 VAL MG1 1 20 ILE H 4.170 . 4.170 3.907 3.738 4.084 . 0 0 "[ . 1 . 2 ]" 1
215 1 19 VAL MG1 1 22 LEU HB2 4.860 . 4.860 4.420 4.080 4.682 . 0 0 "[ . 1 . 2 ]" 1
216 1 19 VAL MG2 1 20 ILE H 3.660 . 3.660 1.986 1.725 2.291 . 0 0 "[ . 1 . 2 ]" 1
217 1 19 VAL MG2 1 20 ILE HA 3.900 . 3.900 3.189 2.923 3.516 . 0 0 "[ . 1 . 2 ]" 1
218 1 19 VAL MG2 1 20 ILE HB 5.190 . 5.190 3.714 3.249 4.326 . 0 0 "[ . 1 . 2 ]" 1
219 1 19 VAL MG2 1 20 ILE QG 5.120 . 5.120 3.633 2.435 4.425 . 0 0 "[ . 1 . 2 ]" 1
220 1 19 VAL MG2 2 19 VAL H 5.000 . 5.000 4.717 4.444 4.994 . 0 0 "[ . 1 . 2 ]" 1
221 1 19 VAL MG2 2 22 LEU MD1 5.500 . 5.500 5.657 5.346 5.888 0.388 21 0 "[ . 1 . 2 ]" 1
222 1 20 ILE H 1 20 ILE HB 3.440 . 3.440 2.324 2.057 2.821 . 0 0 "[ . 1 . 2 ]" 1
223 1 20 ILE H 1 20 ILE MD 4.360 . 4.360 2.532 1.870 3.013 . 0 0 "[ . 1 . 2 ]" 1
224 1 20 ILE H 1 20 ILE MG 4.410 . 4.410 3.513 3.067 3.791 . 0 0 "[ . 1 . 2 ]" 1
225 1 20 ILE H 1 21 THR H 4.010 . 4.010 2.811 2.618 3.002 . 0 0 "[ . 1 . 2 ]" 1
226 1 20 ILE H 1 21 THR HB 6.000 . 6.000 4.862 4.565 5.899 . 0 0 "[ . 1 . 2 ]" 1
227 1 20 ILE H 1 22 LEU H 5.540 . 5.540 4.401 4.113 4.483 . 0 0 "[ . 1 . 2 ]" 1
228 1 20 ILE H 2 20 ILE MD 5.000 . 5.000 5.272 5.022 5.431 0.431 4 0 "[ . 1 . 2 ]" 1
229 1 20 ILE HA 1 20 ILE MD 4.080 . 4.080 2.165 2.090 2.305 . 0 0 "[ . 1 . 2 ]" 1
230 1 20 ILE HA 1 23 VAL H 3.980 . 3.980 3.657 3.491 3.902 . 0 0 "[ . 1 . 2 ]" 1
231 1 20 ILE HA 1 23 VAL HB 4.390 . 4.390 3.395 2.828 4.026 . 0 0 "[ . 1 . 2 ]" 1
232 1 20 ILE HB 1 21 THR H 3.930 . 3.930 3.063 2.297 3.691 . 0 0 "[ . 1 . 2 ]" 1
233 1 20 ILE MD 1 21 THR H 4.350 . 4.350 4.434 4.131 4.683 0.333 20 0 "[ . 1 . 2 ]" 1
234 1 20 ILE MD 2 20 ILE H 5.000 . 5.000 5.273 5.021 5.413 0.413 19 0 "[ . 1 . 2 ]" 1
235 1 20 ILE MG 1 21 THR H 4.140 . 4.140 3.016 2.080 3.676 . 0 0 "[ . 1 . 2 ]" 1
236 1 21 THR H 1 21 THR HB 3.240 . 3.240 2.354 2.194 2.952 . 0 0 "[ . 1 . 2 ]" 1
237 1 21 THR H 1 21 THR MG 4.560 . 4.560 3.056 1.837 3.736 . 0 0 "[ . 1 . 2 ]" 1
238 1 21 THR H 1 22 LEU H 3.910 . 3.910 2.619 2.369 2.799 . 0 0 "[ . 1 . 2 ]" 1
239 1 21 THR H 1 22 LEU HA 5.790 . 5.790 5.224 5.009 5.400 . 0 0 "[ . 1 . 2 ]" 1
240 1 21 THR H 1 22 LEU HB3 4.540 . 4.540 4.485 4.246 4.829 0.289 12 0 "[ . 1 . 2 ]" 1
241 1 21 THR H 1 23 VAL HB 6.000 . 6.000 5.275 4.893 5.487 . 0 0 "[ . 1 . 2 ]" 1
242 1 21 THR HA 1 24 MET H 4.200 . 4.200 3.416 3.099 3.905 . 0 0 "[ . 1 . 2 ]" 1
243 1 21 THR HA 1 25 LEU H 4.770 . 4.770 4.244 3.701 4.697 . 0 0 "[ . 1 . 2 ]" 1
244 1 21 THR HB 1 22 LEU H 3.810 . 3.810 3.198 2.453 3.955 0.145 8 0 "[ . 1 . 2 ]" 1
245 1 21 THR MG 1 25 LEU MD1 3.210 . 3.210 2.169 1.890 2.674 . 0 0 "[ . 1 . 2 ]" 1
246 1 21 THR MG 1 25 LEU HG 3.970 . 3.970 2.941 2.284 4.020 0.050 8 0 "[ . 1 . 2 ]" 1
247 1 22 LEU H 1 22 LEU HB3 3.920 . 3.920 2.346 2.091 2.534 . 0 0 "[ . 1 . 2 ]" 1
248 1 22 LEU H 1 22 LEU MD2 4.820 . 4.820 4.063 3.999 4.194 . 0 0 "[ . 1 . 2 ]" 1
249 1 22 LEU H 1 23 VAL HB 5.820 . 5.820 5.072 4.891 5.293 . 0 0 "[ . 1 . 2 ]" 1
250 1 22 LEU H 1 23 VAL MG2 4.450 . 4.450 4.086 3.640 4.425 . 0 0 "[ . 1 . 2 ]" 1
251 1 22 LEU HA 1 22 LEU MD2 3.460 . 3.460 2.163 2.061 2.277 . 0 0 "[ . 1 . 2 ]" 1
252 1 22 LEU HA 1 25 LEU H 4.400 . 4.400 3.390 2.988 3.702 . 0 0 "[ . 1 . 2 ]" 1
253 1 22 LEU HA 1 25 LEU QB 5.390 . 5.390 2.444 2.277 2.674 . 0 0 "[ . 1 . 2 ]" 1
254 1 22 LEU HA 1 25 LEU MD1 4.180 . 4.180 2.431 2.238 3.126 . 0 0 "[ . 1 . 2 ]" 1
255 1 22 LEU HB2 1 23 VAL MG2 4.930 . 4.930 4.784 4.668 4.955 0.025 2 0 "[ . 1 . 2 ]" 1
256 1 22 LEU HB3 1 23 VAL H 4.610 . 4.610 2.765 2.491 3.160 . 0 0 "[ . 1 . 2 ]" 1
257 1 22 LEU HB3 1 23 VAL MG2 3.810 . 3.810 3.307 3.120 3.646 . 0 0 "[ . 1 . 2 ]" 1
258 1 22 LEU MD1 1 23 VAL HA 4.410 . 4.410 2.551 2.391 2.663 . 0 0 "[ . 1 . 2 ]" 1
259 1 22 LEU MD1 1 23 VAL HB 4.300 . 4.300 4.289 4.118 4.493 0.193 15 0 "[ . 1 . 2 ]" 1
260 1 22 LEU MD1 1 23 VAL MG2 3.100 . 3.100 2.415 2.248 2.641 . 0 0 "[ . 1 . 2 ]" 1
261 1 22 LEU MD1 1 26 LYS H 4.770 . 4.770 4.149 3.322 4.661 . 0 0 "[ . 1 . 2 ]" 1
262 1 22 LEU MD1 1 26 LYS QD 3.860 . 3.860 3.372 2.164 3.954 0.094 18 0 "[ . 1 . 2 ]" 1
263 1 22 LEU MD1 1 26 LYS QE 4.300 . 4.300 3.254 1.975 4.439 0.139 2 0 "[ . 1 . 2 ]" 1
264 1 22 LEU MD1 1 26 LYS QG 4.460 . 4.460 2.900 2.284 3.871 . 0 0 "[ . 1 . 2 ]" 1
265 1 22 LEU MD1 2 17 MET ME 5.500 . 5.500 5.487 4.635 5.885 0.385 15 0 "[ . 1 . 2 ]" 1
266 1 22 LEU MD1 2 19 VAL MG2 5.500 . 5.500 5.655 5.349 5.882 0.382 21 0 "[ . 1 . 2 ]" 1
267 1 22 LEU MD2 1 26 LYS HA 4.320 . 4.320 4.216 3.149 4.648 0.328 18 0 "[ . 1 . 2 ]" 1
268 1 22 LEU MD2 1 26 LYS QG 3.680 . 3.680 3.383 2.399 3.760 0.080 15 0 "[ . 1 . 2 ]" 1
269 1 22 LEU HG 1 23 VAL H 4.630 . 4.630 4.803 4.602 4.910 0.280 15 0 "[ . 1 . 2 ]" 1
270 1 23 VAL H 1 23 VAL HB 3.520 . 3.520 2.546 2.417 2.686 . 0 0 "[ . 1 . 2 ]" 1
271 1 23 VAL H 1 23 VAL MG1 3.850 . 3.850 3.759 3.740 3.796 . 0 0 "[ . 1 . 2 ]" 1
272 1 23 VAL H 1 23 VAL MG2 3.470 . 3.470 2.035 1.814 2.270 . 0 0 "[ . 1 . 2 ]" 1
273 1 23 VAL H 1 26 LYS H 5.140 . 5.140 4.892 4.667 5.150 0.010 9 0 "[ . 1 . 2 ]" 1
274 1 23 VAL HA 1 23 VAL MG1 3.440 . 3.440 2.298 2.218 2.405 . 0 0 "[ . 1 . 2 ]" 1
275 1 23 VAL HA 1 26 LYS H 4.540 . 4.540 3.561 3.327 4.001 . 0 0 "[ . 1 . 2 ]" 1
276 1 23 VAL HB 1 24 MET H 3.880 . 3.880 2.320 1.950 2.813 . 0 0 "[ . 1 . 2 ]" 1
277 1 23 VAL MG1 1 24 MET H 4.610 . 4.610 3.270 2.615 3.824 . 0 0 "[ . 1 . 2 ]" 1
278 1 23 VAL MG1 1 24 MET QB 5.810 . 5.810 4.630 3.711 5.046 . 0 0 "[ . 1 . 2 ]" 1
279 1 23 VAL MG1 1 24 MET QG 3.880 . 3.880 3.603 3.117 4.052 0.172 7 0 "[ . 1 . 2 ]" 1
280 1 23 VAL MG2 1 24 MET H 4.150 . 4.150 3.638 3.416 3.795 . 0 0 "[ . 1 . 2 ]" 1
281 1 24 MET H 1 24 MET QB 3.520 . 3.520 2.436 2.286 2.628 . 0 0 "[ . 1 . 2 ]" 1
282 1 24 MET H 1 24 MET QG 3.550 . 3.550 2.246 1.823 2.571 . 0 0 "[ . 1 . 2 ]" 1
283 1 24 MET H 1 25 LEU H 3.650 . 3.650 2.664 2.402 2.889 . 0 0 "[ . 1 . 2 ]" 1
284 1 24 MET H 1 26 LYS H 4.600 . 4.600 4.096 3.773 4.450 . 0 0 "[ . 1 . 2 ]" 1
285 1 24 MET HA 1 27 LYS H 4.120 . 4.120 4.234 4.023 4.378 0.258 8 0 "[ . 1 . 2 ]" 1
286 1 24 MET QB 1 25 LEU H 4.170 . 4.170 2.910 2.686 3.672 . 0 0 "[ . 1 . 2 ]" 1
287 1 24 MET QB 1 25 LEU MD2 5.810 . 5.810 4.011 3.304 5.639 . 0 0 "[ . 1 . 2 ]" 1
288 1 24 MET QB 1 26 LYS H 5.080 . 5.080 4.608 4.287 5.144 0.064 12 0 "[ . 1 . 2 ]" 1
289 1 25 LEU H 1 25 LEU HB2 3.910 . 3.910 2.362 2.212 2.521 . 0 0 "[ . 1 . 2 ]" 1
290 1 25 LEU H 1 25 LEU QB 3.330 . 3.330 2.327 2.155 2.477 . 0 0 "[ . 1 . 2 ]" 1
291 1 25 LEU H 1 25 LEU HB3 3.910 . 3.910 3.547 2.792 3.633 . 0 0 "[ . 1 . 2 ]" 1
292 1 25 LEU H 1 25 LEU MD1 4.300 . 4.300 3.654 3.457 4.159 . 0 0 "[ . 1 . 2 ]" 1
293 1 25 LEU H 1 25 LEU MD2 4.650 . 4.650 3.705 3.238 4.224 . 0 0 "[ . 1 . 2 ]" 1
294 1 25 LEU H 1 25 LEU HG 3.860 . 3.860 2.630 2.106 4.166 0.306 18 0 "[ . 1 . 2 ]" 1
295 1 25 LEU H 1 26 LYS H 3.750 . 3.750 2.505 2.398 2.693 . 0 0 "[ . 1 . 2 ]" 1
296 1 25 LEU HA 1 25 LEU MD1 4.430 . 4.430 3.793 3.703 3.825 . 0 0 "[ . 1 . 2 ]" 1
297 1 25 LEU HA 1 25 LEU MD2 3.240 . 3.240 2.165 2.112 2.690 . 0 0 "[ . 1 . 2 ]" 1
298 1 25 LEU HA 1 28 LYS H 3.770 . 3.770 3.632 2.755 3.931 0.161 21 0 "[ . 1 . 2 ]" 1
299 1 25 LEU QB 1 26 LYS HA 4.450 . 4.450 4.001 3.827 4.104 . 0 0 "[ . 1 . 2 ]" 1
300 1 25 LEU MD2 1 26 LYS H 5.280 . 5.280 4.684 3.625 4.896 . 0 0 "[ . 1 . 2 ]" 1
301 1 25 LEU MD2 1 28 LYS H 4.700 . 4.700 4.543 3.978 4.856 0.156 12 0 "[ . 1 . 2 ]" 1
302 1 26 LYS H 1 26 LYS QB 3.190 . 3.190 2.394 2.204 2.633 . 0 0 "[ . 1 . 2 ]" 1
303 1 26 LYS H 1 26 LYS QG 3.930 . 3.930 2.554 1.782 3.946 0.016 15 0 "[ . 1 . 2 ]" 1
304 1 26 LYS H 1 27 LYS H 3.780 . 3.780 2.751 2.563 2.906 . 0 0 "[ . 1 . 2 ]" 1
305 1 26 LYS HA 1 26 LYS QD 4.050 . 4.050 3.817 2.265 4.375 0.325 11 0 "[ . 1 . 2 ]" 1
306 1 26 LYS HA 1 26 LYS QG 3.980 . 3.980 2.360 2.235 3.263 . 0 0 "[ . 1 . 2 ]" 1
307 1 26 LYS QB 1 26 LYS QE 4.520 . 4.520 3.184 1.996 3.782 . 0 0 "[ . 1 . 2 ]" 1
308 1 26 LYS QB 1 27 LYS H 3.880 . 3.880 3.004 2.613 3.753 . 0 0 "[ . 1 . 2 ]" 1
309 1 27 LYS H 1 27 LYS HB2 4.110 . 4.110 2.623 2.400 3.822 . 0 0 "[ . 1 . 2 ]" 1
310 1 27 LYS H 1 27 LYS QB 3.450 . 3.450 2.485 2.302 3.073 . 0 0 "[ . 1 . 2 ]" 1
311 1 27 LYS H 1 27 LYS HB3 4.110 . 4.110 3.413 2.739 3.705 . 0 0 "[ . 1 . 2 ]" 1
312 1 27 LYS H 1 27 LYS QG 4.120 . 4.120 2.976 2.077 4.256 0.136 12 0 "[ . 1 . 2 ]" 1
313 1 27 LYS H 1 28 LYS H 4.050 . 4.050 2.560 1.437 2.884 . 0 0 "[ . 1 . 2 ]" 1
314 1 27 LYS HA 1 28 LYS H 3.050 . 3.050 3.034 2.576 3.330 0.280 18 0 "[ . 1 . 2 ]" 1
315 1 27 LYS QB 1 28 LYS H 4.170 . 4.170 3.690 3.120 4.011 . 0 0 "[ . 1 . 2 ]" 1
316 1 27 LYS QG 1 28 LYS H 4.810 . 4.810 4.358 3.346 4.489 . 0 0 "[ . 1 . 2 ]" 1
317 1 28 LYS H 1 28 LYS HB2 3.770 . 3.770 2.996 2.227 3.920 0.150 9 0 "[ . 1 . 2 ]" 1
318 1 28 LYS H 1 28 LYS HB3 3.770 . 3.770 3.278 2.452 4.031 0.261 18 0 "[ . 1 . 2 ]" 1
319 1 28 LYS H 1 28 LYS QG 4.070 . 4.070 3.352 2.028 4.172 0.102 10 0 "[ . 1 . 2 ]" 1
320 2 1 LYS HA 2 4 ILE H 4.470 . 4.470 3.845 3.145 4.585 0.115 4 0 "[ . 1 . 2 ]" 1
321 2 1 LYS HA 2 4 ILE MD 4.780 . 4.780 3.316 2.252 4.379 . 0 0 "[ . 1 . 2 ]" 1
322 2 1 LYS QD 2 4 ILE MD 4.100 . 4.100 3.093 2.163 4.182 0.082 5 0 "[ . 1 . 2 ]" 1
323 2 1 LYS QD 2 4 ILE QG 4.110 . 4.110 3.497 2.771 4.008 . 0 0 "[ . 1 . 2 ]" 1
324 2 1 LYS QG 2 4 ILE MD 3.860 . 3.860 3.527 2.811 3.955 0.095 3 0 "[ . 1 . 2 ]" 1
325 2 2 GLY HA2 2 4 ILE H 3.900 . 3.900 3.863 3.392 4.107 0.207 10 0 "[ . 1 . 2 ]" 1
326 2 2 GLY HA2 2 5 ILE H 3.760 . 3.760 3.527 3.384 3.801 0.041 5 0 "[ . 1 . 2 ]" 1
327 2 2 GLY HA2 2 5 ILE QG 5.540 . 5.540 5.306 5.027 5.662 0.122 12 0 "[ . 1 . 2 ]" 1
328 2 2 GLY HA2 2 5 ILE MG 3.800 . 3.800 2.917 2.224 3.868 0.068 13 0 "[ . 1 . 2 ]" 1
329 2 2 GLY HA3 2 5 ILE MG 4.350 . 4.350 3.792 3.380 4.267 . 0 0 "[ . 1 . 2 ]" 1
330 2 3 ALA MB 2 4 ILE H 3.760 . 3.760 2.784 2.616 2.943 . 0 0 "[ . 1 . 2 ]" 1
331 2 3 ALA MB 2 4 ILE MD 4.890 . 4.890 3.739 2.205 4.749 . 0 0 "[ . 1 . 2 ]" 1
332 2 3 ALA MB 2 5 ILE MG 5.200 . 5.200 5.010 4.749 5.169 . 0 0 "[ . 1 . 2 ]" 1
333 2 4 ILE H 2 4 ILE HB 3.600 . 3.600 2.426 2.267 2.609 . 0 0 "[ . 1 . 2 ]" 1
334 2 4 ILE H 2 4 ILE MD 4.540 . 4.540 2.870 1.697 3.501 . 0 0 "[ . 1 . 2 ]" 1
335 2 4 ILE H 2 4 ILE HG12 4.180 . 4.180 3.427 1.965 3.917 . 0 0 "[ . 1 . 2 ]" 1
336 2 4 ILE H 2 4 ILE QG 3.530 . 3.530 2.492 1.955 3.359 . 0 0 "[ . 1 . 2 ]" 1
337 2 4 ILE H 2 4 ILE HG13 4.180 . 4.180 2.813 2.159 3.806 . 0 0 "[ . 1 . 2 ]" 1
338 2 4 ILE H 2 4 ILE MG 4.170 . 4.170 3.739 3.691 3.758 . 0 0 "[ . 1 . 2 ]" 1
339 2 4 ILE H 2 5 ILE H 3.930 . 3.930 2.751 2.646 2.841 . 0 0 "[ . 1 . 2 ]" 1
340 2 4 ILE HA 2 4 ILE MD 4.550 . 4.550 3.226 2.087 3.827 . 0 0 "[ . 1 . 2 ]" 1
341 2 4 ILE HA 2 7 LEU H 4.530 . 4.530 3.975 3.115 4.379 . 0 0 "[ . 1 . 2 ]" 1
342 2 4 ILE HB 2 4 ILE MD 3.660 . 3.660 2.418 2.235 3.220 . 0 0 "[ . 1 . 2 ]" 1
343 2 4 ILE HB 2 5 ILE H 3.830 . 3.830 2.473 2.206 2.717 . 0 0 "[ . 1 . 2 ]" 1
344 2 4 ILE MG 2 8 MET HG2 5.460 . 5.460 5.025 3.893 5.558 0.098 19 0 "[ . 1 . 2 ]" 1
345 2 4 ILE MG 2 8 MET HG3 4.990 . 4.990 4.788 3.946 5.200 0.210 9 0 "[ . 1 . 2 ]" 1
346 2 5 ILE H 2 5 ILE HB 3.510 . 3.510 2.366 2.188 2.486 . 0 0 "[ . 1 . 2 ]" 1
347 2 5 ILE H 2 5 ILE MD 3.910 . 3.910 3.875 3.541 4.162 0.252 20 0 "[ . 1 . 2 ]" 1
348 2 5 ILE H 2 5 ILE HG12 4.830 . 4.830 4.641 4.078 4.708 . 0 0 "[ . 1 . 2 ]" 1
349 2 5 ILE H 2 5 ILE QG 4.230 . 4.230 4.054 3.813 4.079 . 0 0 "[ . 1 . 2 ]" 1
350 2 5 ILE H 2 5 ILE HG13 4.830 . 4.830 4.480 4.449 4.581 . 0 0 "[ . 1 . 2 ]" 1
351 2 5 ILE H 2 6 GLY H 4.290 . 4.290 2.578 2.337 2.702 . 0 0 "[ . 1 . 2 ]" 1
352 2 5 ILE HA 2 5 ILE MD 3.900 . 3.900 2.211 2.138 2.271 . 0 0 "[ . 1 . 2 ]" 1
353 2 5 ILE HA 2 8 MET H 4.320 . 4.320 3.135 2.874 3.642 . 0 0 "[ . 1 . 2 ]" 1
354 2 5 ILE HA 2 9 VAL H 4.520 . 4.520 3.842 3.554 4.410 . 0 0 "[ . 1 . 2 ]" 1
355 2 5 ILE HB 2 6 GLY H 4.590 . 4.590 3.736 3.569 3.924 . 0 0 "[ . 1 . 2 ]" 1
356 2 5 ILE MD 2 8 MET HB2 4.110 . 4.110 3.336 2.903 4.108 . 0 0 "[ . 1 . 2 ]" 1
357 2 5 ILE MD 2 8 MET HG3 4.620 . 4.620 3.059 2.541 4.226 . 0 0 "[ . 1 . 2 ]" 1
358 2 5 ILE MG 2 6 GLY H 4.810 . 4.810 1.911 1.764 2.207 . 0 0 "[ . 1 . 2 ]" 1
359 2 5 ILE MG 2 8 MET HB3 4.840 . 4.840 4.406 4.178 4.564 . 0 0 "[ . 1 . 2 ]" 1
360 2 5 ILE MG 2 8 MET HG3 5.790 . 5.790 5.933 5.730 6.105 0.315 13 0 "[ . 1 . 2 ]" 1
361 2 6 GLY H 2 7 LEU H 4.500 . 4.500 3.004 2.741 3.228 . 0 0 "[ . 1 . 2 ]" 1
362 2 6 GLY QA 2 9 VAL H 4.610 . 4.610 4.108 3.912 4.430 . 0 0 "[ . 1 . 2 ]" 1
363 2 7 LEU H 2 7 LEU QB 3.600 . 3.600 2.276 2.162 2.666 . 0 0 "[ . 1 . 2 ]" 1
364 2 7 LEU H 2 7 LEU QD 4.600 . 4.600 3.012 1.807 3.737 . 0 0 "[ . 1 . 2 ]" 1
365 2 7 LEU H 2 7 LEU HG 4.140 . 4.140 3.684 1.875 4.454 0.314 1 0 "[ . 1 . 2 ]" 1
366 2 7 LEU HA 2 7 LEU QD 3.890 . 3.890 2.189 1.957 3.421 . 0 0 "[ . 1 . 2 ]" 1
367 2 7 LEU HA 2 10 GLY H 5.040 . 5.040 3.394 3.183 3.591 . 0 0 "[ . 1 . 2 ]" 1
368 2 7 LEU QB 2 8 MET H 3.720 . 3.720 2.881 2.594 3.586 . 0 0 "[ . 1 . 2 ]" 1
369 2 7 LEU QB 2 8 MET HA 5.390 . 5.390 4.077 3.887 4.573 . 0 0 "[ . 1 . 2 ]" 1
370 2 7 LEU QB 2 8 MET HB2 5.110 . 5.110 4.427 4.113 5.237 0.127 8 0 "[ . 1 . 2 ]" 1
371 2 7 LEU HB2 2 8 MET H 4.420 . 4.420 3.515 2.780 4.135 . 0 0 "[ . 1 . 2 ]" 1
372 2 7 LEU HB3 2 8 MET H 4.420 . 4.420 3.324 2.630 4.035 . 0 0 "[ . 1 . 2 ]" 1
373 2 7 LEU MD1 2 8 MET H 4.650 . 4.650 4.432 2.625 4.787 0.137 17 0 "[ . 1 . 2 ]" 1
374 2 7 LEU MD2 2 8 MET H 4.650 . 4.650 4.375 3.726 4.835 0.185 19 0 "[ . 1 . 2 ]" 1
375 2 8 MET H 2 8 MET HB2 4.050 . 4.050 2.303 2.156 2.536 . 0 0 "[ . 1 . 2 ]" 1
376 2 8 MET H 2 8 MET HB3 3.760 . 3.760 2.557 2.246 2.740 . 0 0 "[ . 1 . 2 ]" 1
377 2 8 MET H 2 8 MET HG2 3.950 . 3.950 4.266 4.140 4.443 0.493 14 0 "[ . 1 . 2 ]" 1
378 2 8 MET H 2 8 MET HG3 4.070 . 4.070 4.403 4.257 4.537 0.467 20 0 "[ . 1 . 2 ]" 1
379 2 8 MET H 2 9 VAL H 3.900 . 3.900 2.948 2.863 3.074 . 0 0 "[ . 1 . 2 ]" 1
380 2 8 MET HA 2 8 MET ME 4.140 . 4.140 3.011 2.458 3.684 . 0 0 "[ . 1 . 2 ]" 1
381 2 8 MET HA 2 8 MET HG2 4.110 . 4.110 2.649 2.258 3.792 . 0 0 "[ . 1 . 2 ]" 1
382 2 8 MET HA 2 11 GLY H 4.560 . 4.560 3.831 3.363 4.493 . 0 0 "[ . 1 . 2 ]" 1
383 2 8 MET HB2 2 9 VAL H 4.390 . 4.390 3.517 3.320 3.735 . 0 0 "[ . 1 . 2 ]" 1
384 2 8 MET ME 2 9 VAL MG1 3.640 . 3.640 3.756 2.823 3.927 0.287 6 0 "[ . 1 . 2 ]" 1
385 2 8 MET ME 2 11 GLY H 4.540 . 4.540 4.674 4.301 4.975 0.435 21 0 "[ . 1 . 2 ]" 1
386 2 8 MET HG3 2 9 VAL MG1 5.160 . 5.160 3.940 2.735 4.836 . 0 0 "[ . 1 . 2 ]" 1
387 2 9 VAL H 2 9 VAL HB 3.660 . 3.660 3.587 3.567 3.620 . 0 0 "[ . 1 . 2 ]" 1
388 2 9 VAL H 2 9 VAL MG1 4.090 . 4.090 2.114 1.876 2.246 . 0 0 "[ . 1 . 2 ]" 1
389 2 9 VAL H 2 9 VAL MG2 3.490 . 3.490 1.944 1.805 2.231 . 0 0 "[ . 1 . 2 ]" 1
390 2 9 VAL H 2 10 GLY H 3.960 . 3.960 2.639 2.554 2.746 . 0 0 "[ . 1 . 2 ]" 1
391 2 9 VAL HA 2 9 VAL MG1 3.500 . 3.500 2.315 2.226 2.401 . 0 0 "[ . 1 . 2 ]" 1
392 2 9 VAL HA 2 12 VAL H 4.070 . 4.070 3.949 3.758 4.051 . 0 0 "[ . 1 . 2 ]" 1
393 2 9 VAL HA 2 12 VAL MG2 4.030 . 4.030 2.377 2.129 3.660 . 0 0 "[ . 1 . 2 ]" 1
394 2 9 VAL HB 2 10 GLY H 4.030 . 4.030 4.003 3.447 4.161 0.131 13 0 "[ . 1 . 2 ]" 1
395 2 9 VAL MG1 2 10 GLY H 4.240 . 4.240 4.011 3.692 4.151 . 0 0 "[ . 1 . 2 ]" 1
396 2 9 VAL MG1 2 11 GLY H 5.570 . 5.570 5.568 5.396 5.678 0.108 4 0 "[ . 1 . 2 ]" 1
397 2 9 VAL MG2 2 10 GLY H 4.600 . 4.600 2.349 1.718 2.545 . 0 0 "[ . 1 . 2 ]" 1
398 2 9 VAL MG2 2 11 GLY H 5.480 . 5.480 4.497 4.284 4.617 . 0 0 "[ . 1 . 2 ]" 1
399 2 10 GLY QA 2 13 VAL H 4.050 . 4.050 3.506 3.345 3.587 . 0 0 "[ . 1 . 2 ]" 1
400 2 10 GLY QA 2 13 VAL MG2 4.080 . 4.080 3.028 2.782 3.225 . 0 0 "[ . 1 . 2 ]" 1
401 2 11 GLY H 2 12 VAL H 3.950 . 3.950 2.894 2.788 3.030 . 0 0 "[ . 1 . 2 ]" 1
402 2 11 GLY H 2 12 VAL MG2 5.720 . 5.720 3.636 3.468 4.105 . 0 0 "[ . 1 . 2 ]" 1
403 2 11 GLY HA2 2 14 ILE H 3.790 . 3.790 3.435 3.228 3.692 . 0 0 "[ . 1 . 2 ]" 1
404 2 11 GLY HA2 2 14 ILE HB 4.990 . 4.990 2.847 2.600 3.804 . 0 0 "[ . 1 . 2 ]" 1
405 2 11 GLY HA2 2 14 ILE QG 4.890 . 4.890 3.303 2.603 4.097 . 0 0 "[ . 1 . 2 ]" 1
406 2 11 GLY HA3 2 14 ILE H 4.540 . 4.540 4.617 4.488 4.932 0.392 21 0 "[ . 1 . 2 ]" 1
407 2 12 VAL H 2 12 VAL HB 3.520 . 3.520 3.617 3.587 3.641 0.121 1 0 "[ . 1 . 2 ]" 1
408 2 12 VAL H 2 12 VAL MG1 3.780 . 3.780 2.259 2.126 2.458 . 0 0 "[ . 1 . 2 ]" 1
409 2 12 VAL H 2 12 VAL MG2 3.420 . 3.420 1.852 1.756 1.985 . 0 0 "[ . 1 . 2 ]" 1
410 2 12 VAL H 2 13 VAL H 3.840 . 3.840 2.925 2.444 3.104 . 0 0 "[ . 1 . 2 ]" 1
411 2 12 VAL HA 2 12 VAL MG1 3.510 . 3.510 2.291 2.213 2.408 . 0 0 "[ . 1 . 2 ]" 1
412 2 12 VAL HA 2 15 ALA H 3.980 . 3.980 3.643 3.273 4.101 0.121 19 0 "[ . 1 . 2 ]" 1
413 2 12 VAL HA 2 15 ALA MB 3.920 . 3.920 2.685 2.465 3.203 . 0 0 "[ . 1 . 2 ]" 1
414 2 13 VAL H 2 13 VAL HB 3.420 . 3.420 2.505 2.355 2.640 . 0 0 "[ . 1 . 2 ]" 1
415 2 13 VAL H 2 13 VAL MG1 3.810 . 3.810 3.747 3.726 3.790 . 0 0 "[ . 1 . 2 ]" 1
416 2 13 VAL H 2 13 VAL MG2 3.450 . 3.450 2.173 1.897 2.575 . 0 0 "[ . 1 . 2 ]" 1
417 2 13 VAL HA 2 13 VAL MG1 3.740 . 3.740 2.331 2.267 2.429 . 0 0 "[ . 1 . 2 ]" 1
418 2 13 VAL HA 2 13 VAL MG2 3.570 . 3.570 2.273 2.233 2.368 . 0 0 "[ . 1 . 2 ]" 1
419 2 13 VAL HA 2 16 THR H 4.280 . 4.280 3.565 3.410 3.942 . 0 0 "[ . 1 . 2 ]" 1
420 2 13 VAL HA 2 16 THR HB 4.830 . 4.830 4.415 3.338 4.816 . 0 0 "[ . 1 . 2 ]" 1
421 2 13 VAL HA 2 17 MET H 4.910 . 4.910 4.605 4.286 4.791 . 0 0 "[ . 1 . 2 ]" 1
422 2 13 VAL HB 2 14 ILE H 3.790 . 3.790 2.538 2.467 2.647 . 0 0 "[ . 1 . 2 ]" 1
423 2 13 VAL HB 2 14 ILE MG 5.830 . 5.830 5.461 5.342 5.578 . 0 0 "[ . 1 . 2 ]" 1
424 2 13 VAL HB 2 15 ALA H 4.940 . 4.940 5.051 4.975 5.235 0.295 12 0 "[ . 1 . 2 ]" 1
425 2 13 VAL HB 2 16 THR MG 4.980 . 4.980 4.826 4.321 5.041 0.061 1 0 "[ . 1 . 2 ]" 1
426 2 13 VAL MG1 2 14 ILE H 4.000 . 4.000 3.312 3.100 3.505 . 0 0 "[ . 1 . 2 ]" 1
427 2 13 VAL MG1 2 14 ILE HA 3.980 . 3.980 3.335 3.168 3.458 . 0 0 "[ . 1 . 2 ]" 1
428 2 13 VAL MG1 2 16 THR H 4.470 . 4.470 4.647 4.500 4.956 0.486 12 0 "[ . 1 . 2 ]" 1
429 2 13 VAL MG1 2 16 THR MG 3.770 . 3.770 3.701 3.015 4.036 0.266 1 0 "[ . 1 . 2 ]" 1
430 2 13 VAL MG1 2 17 MET H 4.830 . 4.830 4.450 4.286 4.552 . 0 0 "[ . 1 . 2 ]" 1
431 2 13 VAL MG1 2 17 MET ME 4.180 . 4.180 3.431 3.042 4.046 . 0 0 "[ . 1 . 2 ]" 1
432 2 13 VAL MG2 2 14 ILE H 4.500 . 4.500 3.848 3.758 3.956 . 0 0 "[ . 1 . 2 ]" 1
433 2 14 ILE H 2 14 ILE HB 3.560 . 3.560 2.534 2.439 2.667 . 0 0 "[ . 1 . 2 ]" 1
434 2 14 ILE H 2 14 ILE MD 4.290 . 4.290 3.255 2.823 3.757 . 0 0 "[ . 1 . 2 ]" 1
435 2 14 ILE H 2 14 ILE HG12 4.050 . 4.050 2.951 2.011 3.672 . 0 0 "[ . 1 . 2 ]" 1
436 2 14 ILE H 2 14 ILE HG13 4.050 . 4.050 2.817 2.189 3.642 . 0 0 "[ . 1 . 2 ]" 1
437 2 14 ILE H 2 14 ILE MG 4.460 . 4.460 3.777 3.756 3.802 . 0 0 "[ . 1 . 2 ]" 1
438 2 14 ILE H 2 15 ALA H 3.740 . 3.740 2.658 2.579 2.728 . 0 0 "[ . 1 . 2 ]" 1
439 2 14 ILE H 2 15 ALA HA 5.510 . 5.510 5.285 5.204 5.341 . 0 0 "[ . 1 . 2 ]" 1
440 2 14 ILE H 2 15 ALA MB 4.860 . 4.860 4.281 4.192 4.345 . 0 0 "[ . 1 . 2 ]" 1
441 2 14 ILE H 2 16 THR H 4.730 . 4.730 4.072 3.977 4.313 . 0 0 "[ . 1 . 2 ]" 1
442 2 14 ILE H 2 17 MET H 5.330 . 5.330 4.808 4.660 4.913 . 0 0 "[ . 1 . 2 ]" 1
443 2 14 ILE HA 2 14 ILE MD 3.900 . 3.900 3.076 2.078 3.821 . 0 0 "[ . 1 . 2 ]" 1
444 2 14 ILE HA 2 17 MET H 3.790 . 3.790 3.408 3.267 3.628 . 0 0 "[ . 1 . 2 ]" 1
445 2 14 ILE HB 2 15 ALA H 3.790 . 3.790 2.389 2.317 2.526 . 0 0 "[ . 1 . 2 ]" 1
446 2 14 ILE MG 2 15 ALA H 3.920 . 3.920 3.260 3.101 3.418 . 0 0 "[ . 1 . 2 ]" 1
447 2 14 ILE MG 2 15 ALA HA 4.690 . 4.690 3.398 3.216 3.603 . 0 0 "[ . 1 . 2 ]" 1
448 2 14 ILE MG 2 17 MET H 5.260 . 5.260 4.290 4.146 4.575 . 0 0 "[ . 1 . 2 ]" 1
449 2 14 ILE MG 2 18 ILE H 4.140 . 4.140 4.035 3.705 4.217 0.077 11 0 "[ . 1 . 2 ]" 1
450 2 14 ILE MG 2 18 ILE HG13 4.110 . 4.110 2.952 2.541 3.123 . 0 0 "[ . 1 . 2 ]" 1
451 2 15 ALA H 2 15 ALA MB 3.210 . 3.210 2.219 2.144 2.252 . 0 0 "[ . 1 . 2 ]" 1
452 2 15 ALA H 2 16 THR H 3.850 . 3.850 2.810 2.767 2.918 . 0 0 "[ . 1 . 2 ]" 1
453 2 15 ALA H 2 16 THR MG 4.980 . 4.980 4.077 3.542 4.810 . 0 0 "[ . 1 . 2 ]" 1
454 2 15 ALA H 2 18 ILE H 5.150 . 5.150 4.908 4.780 5.013 . 0 0 "[ . 1 . 2 ]" 1
455 2 15 ALA HA 2 18 ILE H 4.390 . 4.390 3.429 3.357 3.629 . 0 0 "[ . 1 . 2 ]" 1
456 2 15 ALA HA 2 18 ILE HB 4.700 . 4.700 3.174 2.997 3.335 . 0 0 "[ . 1 . 2 ]" 1
457 2 15 ALA HA 2 18 ILE MD 3.970 . 3.970 2.546 2.286 3.038 . 0 0 "[ . 1 . 2 ]" 1
458 2 15 ALA HA 2 18 ILE MG 5.120 . 5.120 4.515 4.421 4.686 . 0 0 "[ . 1 . 2 ]" 1
459 2 15 ALA HA 2 19 VAL H 4.730 . 4.730 4.395 3.870 4.780 0.050 15 0 "[ . 1 . 2 ]" 1
460 2 15 ALA MB 2 16 THR H 3.720 . 3.720 2.568 2.290 2.687 . 0 0 "[ . 1 . 2 ]" 1
461 2 15 ALA MB 2 16 THR MG 4.420 . 4.420 3.163 2.805 4.563 0.143 2 0 "[ . 1 . 2 ]" 1
462 2 15 ALA MB 2 18 ILE MD 4.380 . 4.380 3.776 3.392 4.296 . 0 0 "[ . 1 . 2 ]" 1
463 2 16 THR H 2 16 THR HB 3.690 . 3.690 3.326 2.200 3.621 . 0 0 "[ . 1 . 2 ]" 1
464 2 16 THR H 2 16 THR MG 3.940 . 3.940 2.090 1.625 2.748 . 0 0 "[ . 1 . 2 ]" 1
465 2 16 THR H 2 18 ILE H 5.140 . 5.140 4.234 4.054 4.389 . 0 0 "[ . 1 . 2 ]" 1
466 2 16 THR HA 2 19 VAL H 4.300 . 4.300 3.775 3.506 4.150 . 0 0 "[ . 1 . 2 ]" 1
467 2 16 THR HA 2 19 VAL HB 4.710 . 4.710 4.958 4.606 5.160 0.450 14 0 "[ . 1 . 2 ]" 1
468 2 16 THR HA 2 19 VAL MG2 3.230 . 3.230 2.205 2.066 2.335 . 0 0 "[ . 1 . 2 ]" 1
469 2 16 THR HA 2 20 ILE H 4.330 . 4.330 4.477 4.088 4.714 0.384 18 0 "[ . 1 . 2 ]" 1
470 2 16 THR HB 2 17 MET H 4.210 . 4.210 4.126 3.816 4.444 0.234 20 0 "[ . 1 . 2 ]" 1
471 2 16 THR HB 2 20 ILE H 6.000 . 6.000 5.863 5.390 6.427 0.427 2 0 "[ . 1 . 2 ]" 1
472 2 16 THR MG 2 17 MET H 4.230 . 4.230 3.481 2.313 3.959 . 0 0 "[ . 1 . 2 ]" 1
473 2 16 THR MG 2 17 MET ME 4.040 . 4.040 3.792 2.371 4.263 0.223 13 0 "[ . 1 . 2 ]" 1
474 2 17 MET H 2 17 MET QG 3.640 . 3.640 3.074 2.435 3.854 0.214 12 0 "[ . 1 . 2 ]" 1
475 2 17 MET H 2 18 ILE H 3.820 . 3.820 2.437 2.317 2.602 . 0 0 "[ . 1 . 2 ]" 1
476 2 17 MET H 2 18 ILE HB 4.620 . 4.620 4.568 4.460 4.688 0.068 7 0 "[ . 1 . 2 ]" 1
477 2 17 MET H 2 18 ILE HG13 4.280 . 4.280 4.105 3.930 4.332 0.052 8 0 "[ . 1 . 2 ]" 1
478 2 17 MET H 2 19 VAL MG2 4.420 . 4.420 4.001 3.826 4.097 . 0 0 "[ . 1 . 2 ]" 1
479 2 17 MET H 2 20 ILE H 4.870 . 4.870 4.881 4.655 5.085 0.215 10 0 "[ . 1 . 2 ]" 1
480 2 17 MET HA 2 19 VAL H 4.810 . 4.810 4.619 4.471 4.817 0.007 10 0 "[ . 1 . 2 ]" 1
481 2 17 MET HA 2 20 ILE H 4.360 . 4.360 3.603 3.306 4.004 . 0 0 "[ . 1 . 2 ]" 1
482 2 17 MET HA 2 20 ILE MD 4.140 . 4.140 3.549 2.888 3.972 . 0 0 "[ . 1 . 2 ]" 1
483 2 17 MET HA 2 20 ILE MG 5.240 . 5.240 3.895 2.981 4.733 . 0 0 "[ . 1 . 2 ]" 1
484 2 17 MET HA 2 21 THR H 5.230 . 5.230 5.281 4.975 5.558 0.328 12 0 "[ . 1 . 2 ]" 1
485 2 17 MET QB 2 18 ILE H 4.150 . 4.150 2.824 2.702 2.970 . 0 0 "[ . 1 . 2 ]" 1
486 2 17 MET QB 2 19 VAL H 4.880 . 4.880 4.946 4.855 5.026 0.146 13 0 "[ . 1 . 2 ]" 1
487 2 17 MET ME 2 19 VAL MG2 4.720 . 4.720 4.560 4.312 4.862 0.142 12 0 "[ . 1 . 2 ]" 1
488 2 18 ILE H 2 18 ILE HB 3.620 . 3.620 2.392 2.342 2.442 . 0 0 "[ . 1 . 2 ]" 1
489 2 18 ILE H 2 18 ILE HG12 4.000 . 4.000 3.591 3.534 3.753 . 0 0 "[ . 1 . 2 ]" 1
490 2 18 ILE H 2 18 ILE HG13 4.400 . 4.400 2.232 2.161 2.437 . 0 0 "[ . 1 . 2 ]" 1
491 2 18 ILE H 2 18 ILE MG 4.430 . 4.430 3.720 3.700 3.746 . 0 0 "[ . 1 . 2 ]" 1
492 2 18 ILE H 2 19 VAL H 3.710 . 3.710 2.688 2.346 2.753 . 0 0 "[ . 1 . 2 ]" 1
493 2 18 ILE H 2 20 ILE H 5.440 . 5.440 4.086 3.949 4.254 . 0 0 "[ . 1 . 2 ]" 1
494 2 18 ILE HA 2 18 ILE MD 4.160 . 4.160 3.816 3.799 3.826 . 0 0 "[ . 1 . 2 ]" 1
495 2 18 ILE HA 2 18 ILE HG13 4.090 . 4.090 2.808 2.765 2.847 . 0 0 "[ . 1 . 2 ]" 1
496 2 18 ILE HA 2 18 ILE MG 3.630 . 3.630 2.371 2.339 2.399 . 0 0 "[ . 1 . 2 ]" 1
497 2 18 ILE HA 2 21 THR H 4.150 . 4.150 3.811 3.539 4.148 . 0 0 "[ . 1 . 2 ]" 1
498 2 18 ILE HB 2 19 VAL H 3.890 . 3.890 2.528 2.450 2.653 . 0 0 "[ . 1 . 2 ]" 1
499 2 18 ILE HG13 2 19 VAL H 5.300 . 5.300 4.344 4.301 4.405 . 0 0 "[ . 1 . 2 ]" 1
500 2 18 ILE MG 2 19 VAL H 4.080 . 4.080 3.241 3.178 3.401 . 0 0 "[ . 1 . 2 ]" 1
501 2 18 ILE MG 2 19 VAL HB 6.000 . 6.000 5.203 5.044 5.325 . 0 0 "[ . 1 . 2 ]" 1
502 2 18 ILE MG 2 21 THR MG 3.610 . 3.610 3.385 2.937 3.991 0.381 12 0 "[ . 1 . 2 ]" 1
503 2 18 ILE MG 2 22 LEU H 4.540 . 4.540 4.291 3.732 4.863 0.323 15 0 "[ . 1 . 2 ]" 1
504 2 19 VAL H 2 19 VAL HB 3.730 . 3.730 3.586 3.532 3.631 . 0 0 "[ . 1 . 2 ]" 1
505 2 19 VAL H 2 19 VAL MG1 3.920 . 3.920 2.114 1.837 2.400 . 0 0 "[ . 1 . 2 ]" 1
506 2 19 VAL H 2 19 VAL MG2 3.390 . 3.390 2.018 1.795 2.216 . 0 0 "[ . 1 . 2 ]" 1
507 2 19 VAL H 2 20 ILE H 3.720 . 3.720 2.721 2.593 2.858 . 0 0 "[ . 1 . 2 ]" 1
508 2 19 VAL HA 2 19 VAL MG1 3.390 . 3.390 2.332 2.209 2.474 . 0 0 "[ . 1 . 2 ]" 1
509 2 19 VAL HA 2 19 VAL MG2 3.320 . 3.320 3.191 3.174 3.203 . 0 0 "[ . 1 . 2 ]" 1
510 2 19 VAL HA 2 22 LEU H 4.000 . 4.000 2.951 2.779 3.172 . 0 0 "[ . 1 . 2 ]" 1
511 2 19 VAL HA 2 22 LEU HB2 4.340 . 4.340 3.155 2.745 3.750 . 0 0 "[ . 1 . 2 ]" 1
512 2 19 VAL HB 2 20 ILE H 3.800 . 3.800 3.763 3.648 3.851 0.051 8 0 "[ . 1 . 2 ]" 1
513 2 19 VAL HB 2 21 THR H 6.000 . 6.000 5.162 4.771 5.630 . 0 0 "[ . 1 . 2 ]" 1
514 2 19 VAL HB 2 22 LEU H 5.380 . 5.380 4.644 4.295 5.102 . 0 0 "[ . 1 . 2 ]" 1
515 2 19 VAL HB 2 22 LEU MD1 3.880 . 3.880 4.011 3.739 4.215 0.335 15 0 "[ . 1 . 2 ]" 1
516 2 19 VAL MG1 2 20 ILE H 4.170 . 4.170 3.907 3.738 4.085 . 0 0 "[ . 1 . 2 ]" 1
517 2 19 VAL MG1 2 22 LEU HB2 4.860 . 4.860 4.419 4.075 4.679 . 0 0 "[ . 1 . 2 ]" 1
518 2 19 VAL MG2 2 20 ILE H 3.660 . 3.660 1.985 1.724 2.291 . 0 0 "[ . 1 . 2 ]" 1
519 2 19 VAL MG2 2 20 ILE HA 3.900 . 3.900 3.189 2.922 3.516 . 0 0 "[ . 1 . 2 ]" 1
520 2 19 VAL MG2 2 20 ILE HB 5.190 . 5.190 3.714 3.249 4.328 . 0 0 "[ . 1 . 2 ]" 1
521 2 19 VAL MG2 2 20 ILE QG 5.120 . 5.120 3.632 2.437 4.426 . 0 0 "[ . 1 . 2 ]" 1
522 2 20 ILE H 2 20 ILE HB 3.440 . 3.440 2.324 2.057 2.821 . 0 0 "[ . 1 . 2 ]" 1
523 2 20 ILE H 2 20 ILE MD 4.360 . 4.360 2.530 1.867 3.015 . 0 0 "[ . 1 . 2 ]" 1
524 2 20 ILE H 2 20 ILE MG 4.410 . 4.410 3.513 3.065 3.792 . 0 0 "[ . 1 . 2 ]" 1
525 2 20 ILE H 2 21 THR H 4.010 . 4.010 2.811 2.617 3.003 . 0 0 "[ . 1 . 2 ]" 1
526 2 20 ILE H 2 21 THR HB 6.000 . 6.000 4.862 4.565 5.898 . 0 0 "[ . 1 . 2 ]" 1
527 2 20 ILE H 2 22 LEU H 5.540 . 5.540 4.400 4.114 4.478 . 0 0 "[ . 1 . 2 ]" 1
528 2 20 ILE HA 2 20 ILE MD 4.080 . 4.080 2.165 2.091 2.305 . 0 0 "[ . 1 . 2 ]" 1
529 2 20 ILE HA 2 23 VAL H 3.980 . 3.980 3.657 3.490 3.899 . 0 0 "[ . 1 . 2 ]" 1
530 2 20 ILE HA 2 23 VAL HB 4.390 . 4.390 3.395 2.827 4.024 . 0 0 "[ . 1 . 2 ]" 1
531 2 20 ILE HB 2 21 THR H 3.930 . 3.930 3.063 2.295 3.689 . 0 0 "[ . 1 . 2 ]" 1
532 2 20 ILE MD 2 21 THR H 4.350 . 4.350 4.433 4.127 4.683 0.333 20 0 "[ . 1 . 2 ]" 1
533 2 20 ILE MG 2 21 THR H 4.140 . 4.140 3.017 2.078 3.678 . 0 0 "[ . 1 . 2 ]" 1
534 2 21 THR H 2 21 THR HB 3.240 . 3.240 2.354 2.193 2.951 . 0 0 "[ . 1 . 2 ]" 1
535 2 21 THR H 2 21 THR MG 4.560 . 4.560 3.056 1.832 3.736 . 0 0 "[ . 1 . 2 ]" 1
536 2 21 THR H 2 22 LEU H 3.910 . 3.910 2.618 2.374 2.802 . 0 0 "[ . 1 . 2 ]" 1
537 2 21 THR H 2 22 LEU HA 5.790 . 5.790 5.223 5.011 5.394 . 0 0 "[ . 1 . 2 ]" 1
538 2 21 THR H 2 22 LEU HB3 4.540 . 4.540 4.484 4.246 4.829 0.289 12 0 "[ . 1 . 2 ]" 1
539 2 21 THR H 2 23 VAL HB 6.000 . 6.000 5.275 4.893 5.492 . 0 0 "[ . 1 . 2 ]" 1
540 2 21 THR HA 2 24 MET H 4.200 . 4.200 3.416 3.101 3.903 . 0 0 "[ . 1 . 2 ]" 1
541 2 21 THR HA 2 25 LEU H 4.770 . 4.770 4.244 3.705 4.694 . 0 0 "[ . 1 . 2 ]" 1
542 2 21 THR HB 2 22 LEU H 3.810 . 3.810 3.199 2.455 3.956 0.146 8 0 "[ . 1 . 2 ]" 1
543 2 21 THR MG 2 25 LEU MD1 3.210 . 3.210 2.170 1.890 2.671 . 0 0 "[ . 1 . 2 ]" 1
544 2 21 THR MG 2 25 LEU HG 3.970 . 3.970 2.942 2.284 4.019 0.049 8 0 "[ . 1 . 2 ]" 1
545 2 22 LEU H 2 22 LEU HB3 3.920 . 3.920 2.345 2.090 2.529 . 0 0 "[ . 1 . 2 ]" 1
546 2 22 LEU H 2 22 LEU MD2 4.820 . 4.820 4.064 4.001 4.195 . 0 0 "[ . 1 . 2 ]" 1
547 2 22 LEU H 2 23 VAL HB 5.820 . 5.820 5.071 4.888 5.292 . 0 0 "[ . 1 . 2 ]" 1
548 2 22 LEU H 2 23 VAL MG2 4.450 . 4.450 4.085 3.638 4.420 . 0 0 "[ . 1 . 2 ]" 1
549 2 22 LEU HA 2 22 LEU MD2 3.460 . 3.460 2.163 2.062 2.278 . 0 0 "[ . 1 . 2 ]" 1
550 2 22 LEU HA 2 25 LEU H 4.400 . 4.400 3.390 2.987 3.700 . 0 0 "[ . 1 . 2 ]" 1
551 2 22 LEU HA 2 25 LEU QB 5.390 . 5.390 2.444 2.277 2.669 . 0 0 "[ . 1 . 2 ]" 1
552 2 22 LEU HA 2 25 LEU MD1 4.180 . 4.180 2.431 2.238 3.124 . 0 0 "[ . 1 . 2 ]" 1
553 2 22 LEU HB2 2 23 VAL MG2 4.930 . 4.930 4.784 4.667 4.956 0.026 2 0 "[ . 1 . 2 ]" 1
554 2 22 LEU HB3 2 23 VAL H 4.610 . 4.610 2.765 2.492 3.162 . 0 0 "[ . 1 . 2 ]" 1
555 2 22 LEU HB3 2 23 VAL MG2 3.810 . 3.810 3.307 3.120 3.647 . 0 0 "[ . 1 . 2 ]" 1
556 2 22 LEU MD1 2 23 VAL HA 4.410 . 4.410 2.551 2.393 2.661 . 0 0 "[ . 1 . 2 ]" 1
557 2 22 LEU MD1 2 23 VAL HB 4.300 . 4.300 4.289 4.114 4.491 0.191 15 0 "[ . 1 . 2 ]" 1
558 2 22 LEU MD1 2 23 VAL MG2 3.100 . 3.100 2.415 2.245 2.639 . 0 0 "[ . 1 . 2 ]" 1
559 2 22 LEU MD1 2 26 LYS H 4.770 . 4.770 4.150 3.322 4.659 . 0 0 "[ . 1 . 2 ]" 1
560 2 22 LEU MD1 2 26 LYS QD 3.860 . 3.860 3.372 2.164 3.955 0.095 18 0 "[ . 1 . 2 ]" 1
561 2 22 LEU MD1 2 26 LYS QE 4.300 . 4.300 3.254 1.977 4.439 0.139 2 0 "[ . 1 . 2 ]" 1
562 2 22 LEU MD1 2 26 LYS QG 4.460 . 4.460 2.900 2.284 3.873 . 0 0 "[ . 1 . 2 ]" 1
563 2 22 LEU MD2 2 26 LYS HA 4.320 . 4.320 4.216 3.150 4.650 0.330 18 0 "[ . 1 . 2 ]" 1
564 2 22 LEU MD2 2 26 LYS QG 3.680 . 3.680 3.384 2.399 3.760 0.080 15 0 "[ . 1 . 2 ]" 1
565 2 22 LEU HG 2 23 VAL H 4.630 . 4.630 4.802 4.602 4.910 0.280 15 0 "[ . 1 . 2 ]" 1
566 2 23 VAL H 2 23 VAL HB 3.520 . 3.520 2.547 2.417 2.688 . 0 0 "[ . 1 . 2 ]" 1
567 2 23 VAL H 2 23 VAL MG1 3.850 . 3.850 3.760 3.740 3.798 . 0 0 "[ . 1 . 2 ]" 1
568 2 23 VAL H 2 23 VAL MG2 3.470 . 3.470 2.035 1.811 2.269 . 0 0 "[ . 1 . 2 ]" 1
569 2 23 VAL H 2 26 LYS H 5.140 . 5.140 4.893 4.668 5.151 0.011 9 0 "[ . 1 . 2 ]" 1
570 2 23 VAL HA 2 23 VAL MG1 3.440 . 3.440 2.298 2.217 2.405 . 0 0 "[ . 1 . 2 ]" 1
571 2 23 VAL HA 2 26 LYS H 4.540 . 4.540 3.562 3.324 4.000 . 0 0 "[ . 1 . 2 ]" 1
572 2 23 VAL HB 2 24 MET H 3.880 . 3.880 2.320 1.952 2.815 . 0 0 "[ . 1 . 2 ]" 1
573 2 23 VAL MG1 2 24 MET H 4.610 . 4.610 3.270 2.619 3.825 . 0 0 "[ . 1 . 2 ]" 1
574 2 23 VAL MG1 2 24 MET QB 5.810 . 5.810 4.630 3.711 5.044 . 0 0 "[ . 1 . 2 ]" 1
575 2 23 VAL MG1 2 24 MET QG 3.880 . 3.880 3.603 3.118 4.053 0.173 7 0 "[ . 1 . 2 ]" 1
576 2 23 VAL MG2 2 24 MET H 4.150 . 4.150 3.638 3.417 3.802 . 0 0 "[ . 1 . 2 ]" 1
577 2 24 MET H 2 24 MET QB 3.520 . 3.520 2.435 2.288 2.629 . 0 0 "[ . 1 . 2 ]" 1
578 2 24 MET H 2 24 MET QG 3.550 . 3.550 2.245 1.823 2.572 . 0 0 "[ . 1 . 2 ]" 1
579 2 24 MET H 2 25 LEU H 3.650 . 3.650 2.665 2.404 2.887 . 0 0 "[ . 1 . 2 ]" 1
580 2 24 MET H 2 26 LYS H 4.600 . 4.600 4.097 3.772 4.449 . 0 0 "[ . 1 . 2 ]" 1
581 2 24 MET HA 2 27 LYS H 4.120 . 4.120 4.234 4.026 4.380 0.260 8 0 "[ . 1 . 2 ]" 1
582 2 24 MET QB 2 25 LEU H 4.170 . 4.170 2.910 2.688 3.671 . 0 0 "[ . 1 . 2 ]" 1
583 2 24 MET QB 2 25 LEU MD2 5.810 . 5.810 4.012 3.310 5.640 . 0 0 "[ . 1 . 2 ]" 1
584 2 24 MET QB 2 26 LYS H 5.080 . 5.080 4.608 4.287 5.143 0.063 12 0 "[ . 1 . 2 ]" 1
585 2 25 LEU H 2 25 LEU HB2 3.910 . 3.910 2.362 2.213 2.522 . 0 0 "[ . 1 . 2 ]" 1
586 2 25 LEU H 2 25 LEU QB 3.330 . 3.330 2.327 2.153 2.477 . 0 0 "[ . 1 . 2 ]" 1
587 2 25 LEU H 2 25 LEU HB3 3.910 . 3.910 3.547 2.789 3.633 . 0 0 "[ . 1 . 2 ]" 1
588 2 25 LEU H 2 25 LEU MD1 4.300 . 4.300 3.654 3.457 4.156 . 0 0 "[ . 1 . 2 ]" 1
589 2 25 LEU H 2 25 LEU MD2 4.650 . 4.650 3.705 3.244 4.221 . 0 0 "[ . 1 . 2 ]" 1
590 2 25 LEU H 2 25 LEU HG 3.860 . 3.860 2.630 2.113 4.165 0.305 18 0 "[ . 1 . 2 ]" 1
591 2 25 LEU H 2 26 LYS H 3.750 . 3.750 2.505 2.402 2.692 . 0 0 "[ . 1 . 2 ]" 1
592 2 25 LEU HA 2 25 LEU MD1 4.430 . 4.430 3.793 3.702 3.824 . 0 0 "[ . 1 . 2 ]" 1
593 2 25 LEU HA 2 25 LEU MD2 3.240 . 3.240 2.165 2.112 2.693 . 0 0 "[ . 1 . 2 ]" 1
594 2 25 LEU HA 2 28 LYS H 3.770 . 3.770 3.633 2.753 3.933 0.163 21 0 "[ . 1 . 2 ]" 1
595 2 25 LEU QB 2 26 LYS HA 4.450 . 4.450 4.001 3.827 4.103 . 0 0 "[ . 1 . 2 ]" 1
596 2 25 LEU MD2 2 26 LYS H 5.280 . 5.280 4.684 3.622 4.897 . 0 0 "[ . 1 . 2 ]" 1
597 2 25 LEU MD2 2 28 LYS H 4.700 . 4.700 4.544 3.981 4.858 0.158 12 0 "[ . 1 . 2 ]" 1
598 2 26 LYS H 2 26 LYS QB 3.190 . 3.190 2.395 2.205 2.632 . 0 0 "[ . 1 . 2 ]" 1
599 2 26 LYS H 2 26 LYS QG 3.930 . 3.930 2.554 1.781 3.947 0.017 15 0 "[ . 1 . 2 ]" 1
600 2 26 LYS H 2 27 LYS H 3.780 . 3.780 2.751 2.561 2.909 . 0 0 "[ . 1 . 2 ]" 1
601 2 26 LYS HA 2 26 LYS QD 4.050 . 4.050 3.817 2.264 4.374 0.324 11 0 "[ . 1 . 2 ]" 1
602 2 26 LYS HA 2 26 LYS QG 3.980 . 3.980 2.360 2.235 3.264 . 0 0 "[ . 1 . 2 ]" 1
603 2 26 LYS QB 2 26 LYS QE 4.520 . 4.520 3.184 1.994 3.783 . 0 0 "[ . 1 . 2 ]" 1
604 2 26 LYS QB 2 27 LYS H 3.880 . 3.880 3.004 2.615 3.749 . 0 0 "[ . 1 . 2 ]" 1
605 2 27 LYS H 2 27 LYS HB2 4.110 . 4.110 2.623 2.400 3.823 . 0 0 "[ . 1 . 2 ]" 1
606 2 27 LYS H 2 27 LYS QB 3.450 . 3.450 2.485 2.302 3.072 . 0 0 "[ . 1 . 2 ]" 1
607 2 27 LYS H 2 27 LYS HB3 4.110 . 4.110 3.413 2.738 3.705 . 0 0 "[ . 1 . 2 ]" 1
608 2 27 LYS H 2 27 LYS QG 4.120 . 4.120 2.976 2.076 4.256 0.136 12 0 "[ . 1 . 2 ]" 1
609 2 27 LYS H 2 28 LYS H 4.050 . 4.050 2.560 1.432 2.879 . 0 0 "[ . 1 . 2 ]" 1
610 2 27 LYS HA 2 28 LYS H 3.050 . 3.050 3.034 2.576 3.329 0.279 18 0 "[ . 1 . 2 ]" 1
611 2 27 LYS QB 2 28 LYS H 4.170 . 4.170 3.690 3.116 4.010 . 0 0 "[ . 1 . 2 ]" 1
612 2 27 LYS QG 2 28 LYS H 4.810 . 4.810 4.357 3.347 4.487 . 0 0 "[ . 1 . 2 ]" 1
613 2 28 LYS H 2 28 LYS HB2 3.770 . 3.770 2.997 2.231 3.919 0.149 9 0 "[ . 1 . 2 ]" 1
614 2 28 LYS H 2 28 LYS HB3 3.770 . 3.770 3.278 2.452 4.032 0.262 18 0 "[ . 1 . 2 ]" 1
615 2 28 LYS H 2 28 LYS QG 4.070 . 4.070 3.352 2.026 4.172 0.102 10 0 "[ . 1 . 2 ]" 1
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