NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
566999 |
2lz3   |
18649 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2lz3
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 538
_Distance_constraint_stats_list.Viol_count 826
_Distance_constraint_stats_list.Viol_total 1868.598
_Distance_constraint_stats_list.Viol_max 0.499
_Distance_constraint_stats_list.Viol_rms 0.0368
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0079
_Distance_constraint_stats_list.Viol_average_violations_only 0.1077
_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 0.623 0.247 1 0 "[ . 1 . 2 ]"
1 3 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 4 ILE 0.925 0.086 21 0 "[ . 1 . 2 ]"
1 5 ILE 0.976 0.247 1 0 "[ . 1 . 2 ]"
1 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
1 7 LEU 0.590 0.086 21 0 "[ . 1 . 2 ]"
1 8 MET 1.111 0.128 14 0 "[ . 1 . 2 ]"
1 9 VAL 1.114 0.128 14 0 "[ . 1 . 2 ]"
1 10 GLY 0.304 0.096 19 0 "[ . 1 . 2 ]"
1 11 GLY 0.197 0.048 17 0 "[ . 1 . 2 ]"
1 12 VAL 8.145 0.345 10 0 "[ . 1 . 2 ]"
1 13 VAL 1.564 0.154 7 0 "[ . 1 . 2 ]"
1 14 ILE 7.189 0.324 13 0 "[ . 1 . 2 ]"
1 15 ALA 1.273 0.121 18 0 "[ . 1 . 2 ]"
1 16 THR 11.774 0.489 11 0 "[ . 1 . 2 ]"
1 17 VAL 4.313 0.292 20 0 "[ . 1 . 2 ]"
1 18 ILE 11.992 0.499 11 0 "[ . 1 . 2 ]"
1 19 VAL 0.659 0.121 18 0 "[ . 1 . 2 ]"
1 20 ILE 3.873 0.388 7 0 "[ . 1 . 2 ]"
1 21 THR 5.492 0.388 7 0 "[ . 1 . 2 ]"
1 22 LEU 5.498 0.248 17 0 "[ . 1 . 2 ]"
1 23 VAL 2.132 0.336 1 0 "[ . 1 . 2 ]"
1 24 MET 3.314 0.208 1 0 "[ . 1 . 2 ]"
1 25 LEU 1.933 0.199 3 0 "[ . 1 . 2 ]"
1 26 LYS 5.736 0.336 1 0 "[ . 1 . 2 ]"
1 27 LYS 2.423 0.330 11 0 "[ . 1 . 2 ]"
1 28 LYS 3.135 0.330 11 0 "[ . 1 . 2 ]"
2 1 LYS 0.623 0.246 1 0 "[ . 1 . 2 ]"
2 3 ALA 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 4 ILE 0.945 0.081 20 0 "[ . 1 . 2 ]"
2 5 ILE 0.972 0.246 1 0 "[ . 1 . 2 ]"
2 6 GLY 0.000 0.000 . 0 "[ . 1 . 2 ]"
2 7 LEU 0.651 0.081 18 0 "[ . 1 . 2 ]"
2 8 MET 1.058 0.131 14 0 "[ . 1 . 2 ]"
2 9 VAL 1.080 0.131 14 0 "[ . 1 . 2 ]"
2 10 GLY 0.295 0.095 19 0 "[ . 1 . 2 ]"
2 11 GLY 0.181 0.061 20 0 "[ . 1 . 2 ]"
2 12 VAL 8.157 0.345 10 0 "[ . 1 . 2 ]"
2 13 VAL 1.554 0.155 7 0 "[ . 1 . 2 ]"
2 14 ILE 7.258 0.323 13 0 "[ . 1 . 2 ]"
2 15 ALA 1.305 0.125 18 0 "[ . 1 . 2 ]"
2 16 THR 11.966 0.499 11 0 "[ . 1 . 2 ]"
2 17 VAL 4.315 0.296 20 0 "[ . 1 . 2 ]"
2 18 ILE 11.803 0.489 11 0 "[ . 1 . 2 ]"
2 19 VAL 0.642 0.125 18 0 "[ . 1 . 2 ]"
2 20 ILE 3.864 0.389 7 0 "[ . 1 . 2 ]"
2 21 THR 5.444 0.389 7 0 "[ . 1 . 2 ]"
2 22 LEU 5.393 0.240 17 0 "[ . 1 . 2 ]"
2 23 VAL 2.122 0.336 1 0 "[ . 1 . 2 ]"
2 24 MET 3.311 0.208 1 0 "[ . 1 . 2 ]"
2 25 LEU 1.910 0.189 3 0 "[ . 1 . 2 ]"
2 26 LYS 5.686 0.336 1 0 "[ . 1 . 2 ]"
2 27 LYS 2.442 0.330 11 0 "[ . 1 . 2 ]"
2 28 LYS 3.136 0.330 11 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 HB 4.610 . 4.610 3.081 2.336 3.534 . 0 0 "[ . 1 . 2 ]" 1
2 1 1 LYS HA 1 4 ILE MD 4.530 . 4.530 2.395 2.222 3.024 . 0 0 "[ . 1 . 2 ]" 1
3 1 1 LYS HA 1 5 ILE H 4.640 . 4.640 4.444 3.755 4.887 0.247 1 0 "[ . 1 . 2 ]" 1
4 1 3 ALA MB 1 4 ILE H 3.910 . 3.910 2.617 2.186 2.817 . 0 0 "[ . 1 . 2 ]" 1
5 1 3 ALA MB 1 4 ILE MD 4.650 . 4.650 4.405 4.161 4.531 . 0 0 "[ . 1 . 2 ]" 1
6 1 3 ALA MB 1 4 ILE HG13 3.520 . 3.520 3.213 2.994 3.365 . 0 0 "[ . 1 . 2 ]" 1
7 1 4 ILE H 1 4 ILE HB 3.640 . 3.640 2.443 2.391 2.617 . 0 0 "[ . 1 . 2 ]" 1
8 1 4 ILE H 1 4 ILE MD 4.470 . 4.470 3.441 3.394 3.501 . 0 0 "[ . 1 . 2 ]" 1
9 1 4 ILE H 1 4 ILE HG12 4.170 . 4.170 3.550 3.277 3.673 . 0 0 "[ . 1 . 2 ]" 1
10 1 4 ILE H 1 4 ILE HG13 4.030 . 4.030 2.203 1.975 2.331 . 0 0 "[ . 1 . 2 ]" 1
11 1 4 ILE H 1 5 ILE H 4.060 . 4.060 2.660 2.565 3.105 . 0 0 "[ . 1 . 2 ]" 1
12 1 4 ILE HA 1 4 ILE MD 4.550 . 4.550 3.811 3.798 3.852 . 0 0 "[ . 1 . 2 ]" 1
13 1 4 ILE HA 1 7 LEU H 4.540 . 4.540 4.001 3.858 4.124 . 0 0 "[ . 1 . 2 ]" 1
14 1 4 ILE HA 1 7 LEU QB 4.660 . 4.660 4.196 3.581 4.511 . 0 0 "[ . 1 . 2 ]" 1
15 1 4 ILE HA 1 7 LEU MD1 4.360 . 4.360 2.691 2.315 2.984 . 0 0 "[ . 1 . 2 ]" 1
16 1 4 ILE HB 1 4 ILE MD 3.710 . 3.710 2.270 2.241 2.357 . 0 0 "[ . 1 . 2 ]" 1
17 1 4 ILE HG12 1 7 LEU MD1 3.930 . 3.930 3.888 3.630 4.016 0.086 21 0 "[ . 1 . 2 ]" 1
18 1 4 ILE MG 1 5 ILE H 4.300 . 4.300 3.299 3.050 3.524 . 0 0 "[ . 1 . 2 ]" 1
19 1 4 ILE MG 2 5 ILE MG 5.500 . 5.500 4.591 2.703 5.577 0.077 2 0 "[ . 1 . 2 ]" 1
20 1 5 ILE H 1 5 ILE HB 3.800 . 3.800 3.017 2.431 3.597 . 0 0 "[ . 1 . 2 ]" 1
21 1 5 ILE H 1 5 ILE MD 3.800 . 3.800 3.285 2.740 3.731 . 0 0 "[ . 1 . 2 ]" 1
22 1 5 ILE H 1 5 ILE HG12 4.110 . 4.110 2.362 1.816 3.592 . 0 0 "[ . 1 . 2 ]" 1
23 1 5 ILE H 1 5 ILE QG 3.530 . 3.530 1.959 1.717 2.211 . 0 0 "[ . 1 . 2 ]" 1
24 1 5 ILE H 1 5 ILE HG13 4.110 . 4.110 2.864 1.751 3.526 . 0 0 "[ . 1 . 2 ]" 1
25 1 5 ILE H 1 6 GLY H 4.190 . 4.190 2.696 2.587 2.811 . 0 0 "[ . 1 . 2 ]" 1
26 1 5 ILE HA 1 5 ILE MD 4.760 . 4.760 3.336 2.068 4.133 . 0 0 "[ . 1 . 2 ]" 1
27 1 5 ILE HA 1 8 MET H 4.430 . 4.430 3.203 2.945 3.711 . 0 0 "[ . 1 . 2 ]" 1
28 1 5 ILE HA 1 8 MET QB 5.030 . 5.030 3.125 2.823 3.683 . 0 0 "[ . 1 . 2 ]" 1
29 1 5 ILE HB 1 5 ILE MD 3.580 . 3.580 2.601 2.210 3.222 . 0 0 "[ . 1 . 2 ]" 1
30 1 5 ILE MD 1 6 GLY H 5.200 . 5.200 4.076 2.438 4.530 . 0 0 "[ . 1 . 2 ]" 1
31 1 5 ILE MG 1 6 GLY H 4.610 . 4.610 3.695 3.303 4.006 . 0 0 "[ . 1 . 2 ]" 1
32 1 5 ILE MG 2 4 ILE MG 5.500 . 5.500 4.602 2.708 5.581 0.081 20 0 "[ . 1 . 2 ]" 1
33 1 6 GLY H 1 7 LEU H 4.450 . 4.450 2.892 2.723 3.183 . 0 0 "[ . 1 . 2 ]" 1
34 1 6 GLY QA 1 7 LEU MD2 4.840 . 4.840 3.892 3.754 4.360 . 0 0 "[ . 1 . 2 ]" 1
35 1 6 GLY QA 1 9 VAL H 4.650 . 4.650 3.861 3.632 4.051 . 0 0 "[ . 1 . 2 ]" 1
36 1 7 LEU H 1 7 LEU QB 3.590 . 3.590 2.539 2.487 2.685 . 0 0 "[ . 1 . 2 ]" 1
37 1 7 LEU H 1 7 LEU MD2 4.460 . 4.460 3.094 2.695 3.273 . 0 0 "[ . 1 . 2 ]" 1
38 1 7 LEU H 1 7 LEU HG 4.140 . 4.140 2.003 1.754 2.128 . 0 0 "[ . 1 . 2 ]" 1
39 1 7 LEU H 1 8 MET H 4.160 . 4.160 2.498 2.328 2.932 . 0 0 "[ . 1 . 2 ]" 1
40 1 7 LEU HA 1 7 LEU MD1 4.510 . 4.510 3.828 3.810 3.850 . 0 0 "[ . 1 . 2 ]" 1
41 1 7 LEU HA 1 7 LEU MD2 4.530 . 4.530 2.135 2.112 2.158 . 0 0 "[ . 1 . 2 ]" 1
42 1 7 LEU HA 1 10 GLY H 4.610 . 4.610 3.421 2.975 3.589 . 0 0 "[ . 1 . 2 ]" 1
43 1 7 LEU QB 1 8 MET H 3.890 . 3.890 2.766 2.642 2.968 . 0 0 "[ . 1 . 2 ]" 1
44 1 7 LEU HB2 1 8 MET H 4.490 . 4.490 2.827 2.693 3.056 . 0 0 "[ . 1 . 2 ]" 1
45 1 7 LEU HB3 1 8 MET H 4.490 . 4.490 3.934 3.827 4.076 . 0 0 "[ . 1 . 2 ]" 1
46 1 7 LEU MD2 1 8 MET H 5.510 . 5.510 4.578 4.536 4.743 . 0 0 "[ . 1 . 2 ]" 1
47 1 7 LEU MD2 2 8 MET ME 5.000 . 5.000 4.533 3.721 5.015 0.015 13 0 "[ . 1 . 2 ]" 1
48 1 8 MET H 1 8 MET HB2 4.140 . 4.140 2.539 2.460 2.644 . 0 0 "[ . 1 . 2 ]" 1
49 1 8 MET H 1 8 MET QB 3.620 . 3.620 2.265 2.241 2.283 . 0 0 "[ . 1 . 2 ]" 1
50 1 8 MET H 1 8 MET HB3 4.140 . 4.140 2.553 2.452 2.648 . 0 0 "[ . 1 . 2 ]" 1
51 1 8 MET H 1 8 MET QG 4.430 . 4.430 3.979 3.942 4.054 . 0 0 "[ . 1 . 2 ]" 1
52 1 8 MET H 1 9 VAL H 4.110 . 4.110 2.951 2.860 3.094 . 0 0 "[ . 1 . 2 ]" 1
53 1 8 MET H 1 9 VAL HA 5.440 . 5.440 5.471 5.397 5.568 0.128 14 0 "[ . 1 . 2 ]" 1
54 1 8 MET H 1 9 VAL MG1 5.330 . 5.330 4.455 4.202 4.861 . 0 0 "[ . 1 . 2 ]" 1
55 1 8 MET H 1 9 VAL MG2 4.490 . 4.490 3.772 3.561 4.237 . 0 0 "[ . 1 . 2 ]" 1
56 1 8 MET HA 1 11 GLY H 4.680 . 4.680 3.933 3.802 4.130 . 0 0 "[ . 1 . 2 ]" 1
57 1 8 MET QB 1 9 VAL H 4.340 . 4.340 2.112 2.023 2.316 . 0 0 "[ . 1 . 2 ]" 1
58 1 8 MET ME 1 9 VAL MG1 3.920 . 3.920 3.432 2.858 3.974 0.054 19 0 "[ . 1 . 2 ]" 1
59 1 8 MET ME 2 7 LEU MD2 5.000 . 5.000 4.548 3.695 5.032 0.032 14 0 "[ . 1 . 2 ]" 1
60 1 8 MET ME 2 11 GLY H 4.000 . 4.000 3.603 3.008 4.061 0.061 20 0 "[ . 1 . 2 ]" 1
61 1 9 VAL H 1 9 VAL HB 3.740 . 3.740 3.588 3.581 3.593 . 0 0 "[ . 1 . 2 ]" 1
62 1 9 VAL H 1 9 VAL MG1 3.980 . 3.980 2.056 1.807 2.360 . 0 0 "[ . 1 . 2 ]" 1
63 1 9 VAL H 1 9 VAL MG2 3.550 . 3.550 1.956 1.829 2.253 . 0 0 "[ . 1 . 2 ]" 1
64 1 9 VAL H 1 10 GLY H 3.980 . 3.980 2.626 2.493 2.773 . 0 0 "[ . 1 . 2 ]" 1
65 1 9 VAL HA 1 9 VAL MG1 3.430 . 3.430 2.341 2.269 2.439 . 0 0 "[ . 1 . 2 ]" 1
66 1 9 VAL HA 1 12 VAL H 3.960 . 3.960 3.518 3.296 3.628 . 0 0 "[ . 1 . 2 ]" 1
67 1 9 VAL HA 1 12 VAL HB 4.230 . 4.230 3.168 2.768 3.594 . 0 0 "[ . 1 . 2 ]" 1
68 1 9 VAL HA 1 12 VAL MG2 3.680 . 3.680 2.119 2.059 2.332 . 0 0 "[ . 1 . 2 ]" 1
69 1 9 VAL HB 1 10 GLY H 4.030 . 4.030 4.006 3.788 4.126 0.096 19 0 "[ . 1 . 2 ]" 1
70 1 9 VAL MG1 1 10 GLY H 4.470 . 4.470 3.973 3.697 4.139 . 0 0 "[ . 1 . 2 ]" 1
71 1 9 VAL MG2 1 10 GLY H 4.580 . 4.580 2.392 1.862 2.485 . 0 0 "[ . 1 . 2 ]" 1
72 1 10 GLY QA 1 12 VAL HB 4.770 . 4.770 4.688 4.524 4.805 0.035 18 0 "[ . 1 . 2 ]" 1
73 1 10 GLY QA 1 13 VAL H 3.950 . 3.950 3.807 3.487 3.948 . 0 0 "[ . 1 . 2 ]" 1
74 1 10 GLY QA 1 13 VAL QG 4.650 . 4.650 2.904 2.162 3.645 . 0 0 "[ . 1 . 2 ]" 1
75 1 11 GLY H 1 12 VAL H 4.060 . 4.060 2.795 2.681 2.850 . 0 0 "[ . 1 . 2 ]" 1
76 1 11 GLY H 1 12 VAL HB 5.910 . 5.910 5.116 4.939 5.208 . 0 0 "[ . 1 . 2 ]" 1
77 1 11 GLY H 1 13 VAL HB 6.000 . 6.000 5.471 5.378 5.694 . 0 0 "[ . 1 . 2 ]" 1
78 1 11 GLY H 2 8 MET ME 4.000 . 4.000 3.611 3.001 4.048 0.048 17 0 "[ . 1 . 2 ]" 1
79 1 11 GLY QA 1 14 ILE H 4.150 . 4.150 3.435 3.263 3.656 . 0 0 "[ . 1 . 2 ]" 1
80 1 12 VAL H 1 12 VAL HB 3.540 . 3.540 2.689 2.552 2.777 . 0 0 "[ . 1 . 2 ]" 1
81 1 12 VAL H 1 12 VAL MG1 4.050 . 4.050 3.719 3.688 3.745 . 0 0 "[ . 1 . 2 ]" 1
82 1 12 VAL H 1 12 VAL MG2 3.420 . 3.420 1.784 1.700 1.957 . 0 0 "[ . 1 . 2 ]" 1
83 1 12 VAL H 1 13 VAL H 3.860 . 3.860 2.798 2.577 2.862 . 0 0 "[ . 1 . 2 ]" 1
84 1 12 VAL H 2 12 VAL MG1 5.000 . 5.000 5.186 5.011 5.314 0.314 10 0 "[ . 1 . 2 ]" 1
85 1 12 VAL HA 1 12 VAL MG2 3.310 . 3.310 2.419 2.367 2.461 . 0 0 "[ . 1 . 2 ]" 1
86 1 12 VAL HA 1 15 ALA H 4.290 . 4.290 3.802 3.504 3.980 . 0 0 "[ . 1 . 2 ]" 1
87 1 12 VAL HA 1 15 ALA MB 4.000 . 4.000 3.816 3.300 4.020 0.020 15 0 "[ . 1 . 2 ]" 1
88 1 12 VAL HB 1 13 VAL H 3.540 . 3.540 3.158 3.114 3.214 . 0 0 "[ . 1 . 2 ]" 1
89 1 12 VAL MG1 1 15 ALA MB 4.410 . 4.410 3.098 2.826 3.321 . 0 0 "[ . 1 . 2 ]" 1
90 1 12 VAL MG1 2 12 VAL H 5.000 . 5.000 5.197 5.005 5.345 0.345 10 0 "[ . 1 . 2 ]" 1
91 1 12 VAL MG1 2 15 ALA MB 5.000 . 5.000 4.531 4.327 4.695 . 0 0 "[ . 1 . 2 ]" 1
92 1 13 VAL H 1 13 VAL HB 3.880 . 3.880 2.441 2.386 2.530 . 0 0 "[ . 1 . 2 ]" 1
93 1 13 VAL H 1 13 VAL MG1 3.930 . 3.930 3.367 2.128 3.771 . 0 0 "[ . 1 . 2 ]" 1
94 1 13 VAL H 1 13 VAL QG 3.220 . 3.220 2.152 2.017 2.248 . 0 0 "[ . 1 . 2 ]" 1
95 1 13 VAL H 1 13 VAL MG2 3.930 . 3.930 2.539 2.026 3.745 . 0 0 "[ . 1 . 2 ]" 1
96 1 13 VAL HA 1 16 THR H 4.410 . 4.410 3.567 3.441 3.790 . 0 0 "[ . 1 . 2 ]" 1
97 1 13 VAL HA 1 16 THR HB 4.490 . 4.490 4.252 3.793 4.644 0.154 7 0 "[ . 1 . 2 ]" 1
98 1 13 VAL HB 1 14 ILE H 3.840 . 3.840 3.166 2.312 3.980 0.140 11 0 "[ . 1 . 2 ]" 1
99 1 13 VAL QG 1 14 ILE H 4.190 . 4.190 3.065 2.067 3.443 . 0 0 "[ . 1 . 2 ]" 1
100 1 14 ILE H 1 14 ILE HB 3.570 . 3.570 2.526 2.406 2.580 . 0 0 "[ . 1 . 2 ]" 1
101 1 14 ILE H 1 14 ILE MD 4.180 . 4.180 3.463 3.145 4.291 0.111 10 0 "[ . 1 . 2 ]" 1
102 1 14 ILE H 1 14 ILE HG12 4.240 . 4.240 3.297 2.083 4.564 0.324 13 0 "[ . 1 . 2 ]" 1
103 1 14 ILE H 1 14 ILE QG 3.700 . 3.700 2.307 1.912 3.990 0.290 13 0 "[ . 1 . 2 ]" 1
104 1 14 ILE H 1 14 ILE HG13 4.240 . 4.240 2.698 1.925 4.404 0.164 13 0 "[ . 1 . 2 ]" 1
105 1 14 ILE H 1 14 ILE MG 4.540 . 4.540 3.625 2.086 3.803 . 0 0 "[ . 1 . 2 ]" 1
106 1 14 ILE H 1 15 ALA H 3.740 . 3.740 2.685 2.606 2.912 . 0 0 "[ . 1 . 2 ]" 1
107 1 14 ILE H 1 16 THR H 4.870 . 4.870 4.835 4.742 4.977 0.107 18 0 "[ . 1 . 2 ]" 1
108 1 14 ILE H 1 16 THR MG 4.660 . 4.660 4.653 4.259 4.935 0.275 1 0 "[ . 1 . 2 ]" 1
109 1 14 ILE HA 1 14 ILE MD 4.070 . 4.070 3.329 2.066 3.828 . 0 0 "[ . 1 . 2 ]" 1
110 1 14 ILE HA 1 16 THR H 5.070 . 5.070 4.724 4.410 4.863 . 0 0 "[ . 1 . 2 ]" 1
111 1 14 ILE HA 1 17 VAL H 4.560 . 4.560 3.513 3.156 3.870 . 0 0 "[ . 1 . 2 ]" 1
112 1 14 ILE HA 1 17 VAL HB 4.090 . 4.090 2.821 2.373 4.206 0.116 12 0 "[ . 1 . 2 ]" 1
113 1 14 ILE HA 1 18 ILE MD 4.370 . 4.370 4.469 4.296 4.535 0.165 9 0 "[ . 1 . 2 ]" 1
114 1 14 ILE HB 1 15 ALA H 3.920 . 3.920 3.178 3.009 3.950 0.030 10 0 "[ . 1 . 2 ]" 1
115 1 14 ILE MD 1 15 ALA H 4.870 . 4.870 4.775 4.627 4.930 0.060 21 0 "[ . 1 . 2 ]" 1
116 1 14 ILE QG 1 15 ALA H 4.750 . 4.750 4.182 3.851 4.281 . 0 0 "[ . 1 . 2 ]" 1
117 1 14 ILE MG 1 15 ALA H 4.240 . 4.240 3.576 2.055 3.795 . 0 0 "[ . 1 . 2 ]" 1
118 1 14 ILE MG 1 15 ALA HA 4.520 . 4.520 3.590 3.052 3.781 . 0 0 "[ . 1 . 2 ]" 1
119 1 14 ILE MG 1 15 ALA MB 4.520 . 4.520 4.293 3.132 4.550 0.030 18 0 "[ . 1 . 2 ]" 1
120 1 14 ILE MG 2 15 ALA MB 5.000 . 5.000 3.359 2.379 4.073 . 0 0 "[ . 1 . 2 ]" 1
121 1 15 ALA H 1 15 ALA MB 3.240 . 3.240 2.227 2.212 2.239 . 0 0 "[ . 1 . 2 ]" 1
122 1 15 ALA H 1 16 THR H 3.840 . 3.840 2.854 2.754 2.977 . 0 0 "[ . 1 . 2 ]" 1
123 1 15 ALA H 1 16 THR MG 4.440 . 4.440 3.974 3.401 4.345 . 0 0 "[ . 1 . 2 ]" 1
124 1 15 ALA H 1 17 VAL H 4.470 . 4.470 4.056 3.928 4.180 . 0 0 "[ . 1 . 2 ]" 1
125 1 15 ALA HA 1 18 ILE H 4.320 . 4.320 3.577 3.447 3.694 . 0 0 "[ . 1 . 2 ]" 1
126 1 15 ALA HA 1 18 ILE HB 4.700 . 4.700 2.859 2.716 3.018 . 0 0 "[ . 1 . 2 ]" 1
127 1 15 ALA HA 1 18 ILE MD 4.310 . 4.310 2.356 2.248 2.566 . 0 0 "[ . 1 . 2 ]" 1
128 1 15 ALA HA 1 18 ILE MG 5.050 . 5.050 4.187 4.056 4.324 . 0 0 "[ . 1 . 2 ]" 1
129 1 15 ALA HA 1 19 VAL H 4.430 . 4.430 4.217 4.034 4.551 0.121 18 0 "[ . 1 . 2 ]" 1
130 1 15 ALA MB 1 16 THR H 3.910 . 3.910 2.162 2.087 2.220 . 0 0 "[ . 1 . 2 ]" 1
131 1 15 ALA MB 1 16 THR MG 4.150 . 4.150 3.856 3.307 4.258 0.108 4 0 "[ . 1 . 2 ]" 1
132 1 15 ALA MB 1 18 ILE MD 4.720 . 4.720 3.697 3.523 3.861 . 0 0 "[ . 1 . 2 ]" 1
133 1 15 ALA MB 1 19 VAL MG2 3.650 . 3.650 3.519 3.300 3.713 0.063 18 0 "[ . 1 . 2 ]" 1
134 1 15 ALA MB 2 12 VAL MG1 5.000 . 5.000 4.544 4.339 4.724 . 0 0 "[ . 1 . 2 ]" 1
135 1 15 ALA MB 2 14 ILE MG 5.000 . 5.000 3.367 2.435 4.061 . 0 0 "[ . 1 . 2 ]" 1
136 1 16 THR H 1 16 THR HB 3.700 . 3.700 2.434 2.228 2.764 . 0 0 "[ . 1 . 2 ]" 1
137 1 16 THR H 1 16 THR MG 3.980 . 3.980 2.313 1.752 2.693 . 0 0 "[ . 1 . 2 ]" 1
138 1 16 THR H 1 18 ILE H 5.130 . 5.130 4.493 4.371 4.606 . 0 0 "[ . 1 . 2 ]" 1
139 1 16 THR H 2 18 ILE MG 5.000 . 5.000 5.312 5.208 5.489 0.489 11 0 "[ . 1 . 2 ]" 1
140 1 16 THR HA 1 19 VAL H 4.210 . 4.210 3.581 3.374 3.851 . 0 0 "[ . 1 . 2 ]" 1
141 1 16 THR HA 1 19 VAL HB 4.740 . 4.740 2.778 2.587 3.156 . 0 0 "[ . 1 . 2 ]" 1
142 1 16 THR HA 1 19 VAL MG1 4.650 . 4.650 4.129 3.990 4.446 . 0 0 "[ . 1 . 2 ]" 1
143 1 16 THR HA 1 19 VAL MG2 4.280 . 4.280 3.218 2.839 3.442 . 0 0 "[ . 1 . 2 ]" 1
144 1 16 THR HA 1 20 ILE H 4.160 . 4.160 3.964 3.760 4.458 0.298 7 0 "[ . 1 . 2 ]" 1
145 1 16 THR HB 1 17 VAL H 4.030 . 4.030 3.839 3.681 4.082 0.052 7 0 "[ . 1 . 2 ]" 1
146 1 16 THR MG 1 17 VAL HA 4.310 . 4.310 3.201 2.954 3.668 . 0 0 "[ . 1 . 2 ]" 1
147 1 17 VAL H 1 17 VAL HB 3.480 . 3.480 2.454 2.404 2.715 . 0 0 "[ . 1 . 2 ]" 1
148 1 17 VAL H 1 17 VAL MG1 3.830 . 3.830 3.653 1.754 3.771 . 0 0 "[ . 1 . 2 ]" 1
149 1 17 VAL H 1 17 VAL QG 3.180 . 3.180 2.186 1.751 2.260 . 0 0 "[ . 1 . 2 ]" 1
150 1 17 VAL H 1 17 VAL MG2 3.830 . 3.830 2.296 2.185 3.755 . 0 0 "[ . 1 . 2 ]" 1
151 1 17 VAL H 1 18 ILE H 3.700 . 3.700 2.732 2.677 2.774 . 0 0 "[ . 1 . 2 ]" 1
152 1 17 VAL H 1 18 ILE HG13 4.440 . 4.440 4.531 4.430 4.657 0.217 12 0 "[ . 1 . 2 ]" 1
153 1 17 VAL HA 1 20 ILE H 3.680 . 3.680 3.343 3.240 3.503 . 0 0 "[ . 1 . 2 ]" 1
154 1 17 VAL HA 1 20 ILE HB 4.510 . 4.510 2.421 2.308 3.220 . 0 0 "[ . 1 . 2 ]" 1
155 1 17 VAL HA 1 20 ILE MD 4.060 . 4.060 3.125 2.071 4.352 0.292 20 0 "[ . 1 . 2 ]" 1
156 1 17 VAL HA 1 20 ILE QG 4.980 . 4.980 3.109 2.349 3.866 . 0 0 "[ . 1 . 2 ]" 1
157 1 17 VAL HB 1 18 ILE H 4.070 . 4.070 2.440 2.283 3.908 . 0 0 "[ . 1 . 2 ]" 1
158 1 17 VAL QG 1 18 ILE H 3.910 . 3.910 2.916 1.796 3.017 . 0 0 "[ . 1 . 2 ]" 1
159 1 18 ILE H 1 18 ILE HB 3.680 . 3.680 2.467 2.407 2.502 . 0 0 "[ . 1 . 2 ]" 1
160 1 18 ILE H 1 18 ILE HG12 3.920 . 3.920 3.556 3.513 3.642 . 0 0 "[ . 1 . 2 ]" 1
161 1 18 ILE H 1 18 ILE HG13 3.800 . 3.800 2.136 2.086 2.251 . 0 0 "[ . 1 . 2 ]" 1
162 1 18 ILE H 1 18 ILE MG 4.310 . 4.310 3.755 3.738 3.771 . 0 0 "[ . 1 . 2 ]" 1
163 1 18 ILE HA 1 18 ILE MD 4.760 . 4.760 3.822 3.808 3.833 . 0 0 "[ . 1 . 2 ]" 1
164 1 18 ILE HA 1 21 THR H 3.950 . 3.950 3.937 3.846 4.103 0.153 17 0 "[ . 1 . 2 ]" 1
165 1 18 ILE HA 1 21 THR HB 4.850 . 4.850 4.682 4.271 4.869 0.019 17 0 "[ . 1 . 2 ]" 1
166 1 18 ILE HA 1 21 THR MG 4.570 . 4.570 2.430 2.299 3.413 . 0 0 "[ . 1 . 2 ]" 1
167 1 18 ILE HB 1 19 VAL H 3.850 . 3.850 2.540 2.441 2.796 . 0 0 "[ . 1 . 2 ]" 1
168 1 18 ILE MG 1 19 VAL H 4.840 . 4.840 3.227 3.072 3.494 . 0 0 "[ . 1 . 2 ]" 1
169 1 18 ILE MG 1 21 THR MG 3.260 . 3.260 3.271 3.169 3.425 0.165 15 0 "[ . 1 . 2 ]" 1
170 1 18 ILE MG 2 16 THR H 5.000 . 5.000 5.322 5.209 5.499 0.499 11 0 "[ . 1 . 2 ]" 1
171 1 18 ILE MG 2 19 VAL MG2 5.000 . 5.000 2.219 1.900 3.308 . 0 0 "[ . 1 . 2 ]" 1
172 1 19 VAL H 1 19 VAL HB 4.120 . 4.120 2.448 2.418 2.527 . 0 0 "[ . 1 . 2 ]" 1
173 1 19 VAL H 1 19 VAL MG1 3.850 . 3.850 3.734 3.721 3.758 . 0 0 "[ . 1 . 2 ]" 1
174 1 19 VAL H 1 19 VAL MG2 3.420 . 3.420 2.121 2.033 2.187 . 0 0 "[ . 1 . 2 ]" 1
175 1 19 VAL H 1 20 ILE H 3.900 . 3.900 2.670 2.564 2.710 . 0 0 "[ . 1 . 2 ]" 1
176 1 19 VAL H 2 19 VAL MG2 5.000 . 5.000 3.894 3.527 4.478 . 0 0 "[ . 1 . 2 ]" 1
177 1 19 VAL HA 1 22 LEU H 4.060 . 4.060 3.454 3.264 3.661 . 0 0 "[ . 1 . 2 ]" 1
178 1 19 VAL HA 1 22 LEU HB2 4.430 . 4.430 2.345 2.242 2.490 . 0 0 "[ . 1 . 2 ]" 1
179 1 19 VAL HB 1 20 ILE H 3.860 . 3.860 2.549 2.404 2.624 . 0 0 "[ . 1 . 2 ]" 1
180 1 19 VAL MG1 1 20 ILE H 3.850 . 3.850 3.338 3.230 3.414 . 0 0 "[ . 1 . 2 ]" 1
181 1 19 VAL MG1 1 20 ILE HA 3.450 . 3.450 3.375 3.277 3.440 . 0 0 "[ . 1 . 2 ]" 1
182 1 19 VAL MG1 1 22 LEU HB3 4.480 . 4.480 4.247 3.699 4.569 0.089 15 0 "[ . 1 . 2 ]" 1
183 1 19 VAL MG1 1 23 VAL H 4.340 . 4.340 3.699 3.416 4.081 . 0 0 "[ . 1 . 2 ]" 1
184 1 19 VAL MG2 2 18 ILE MG 5.000 . 5.000 2.228 1.905 3.310 . 0 0 "[ . 1 . 2 ]" 1
185 1 19 VAL MG2 2 19 VAL H 5.000 . 5.000 3.902 3.535 4.488 . 0 0 "[ . 1 . 2 ]" 1
186 1 20 ILE H 1 20 ILE QG 3.300 . 3.300 2.398 2.026 2.541 . 0 0 "[ . 1 . 2 ]" 1
187 1 20 ILE H 1 20 ILE MG 4.340 . 4.340 3.744 3.697 3.813 . 0 0 "[ . 1 . 2 ]" 1
188 1 20 ILE H 1 21 THR H 3.920 . 3.920 3.014 2.939 3.139 . 0 0 "[ . 1 . 2 ]" 1
189 1 20 ILE HA 1 20 ILE MG 3.670 . 3.670 2.541 2.423 2.589 . 0 0 "[ . 1 . 2 ]" 1
190 1 20 ILE HA 1 23 VAL H 3.910 . 3.910 3.649 3.476 3.969 0.059 15 0 "[ . 1 . 2 ]" 1
191 1 20 ILE HA 1 23 VAL HB 5.060 . 5.060 3.093 2.834 3.721 . 0 0 "[ . 1 . 2 ]" 1
192 1 20 ILE HA 1 23 VAL MG2 3.750 . 3.750 3.088 2.543 3.411 . 0 0 "[ . 1 . 2 ]" 1
193 1 20 ILE HB 1 20 ILE MD 3.690 . 3.690 2.670 2.231 3.182 . 0 0 "[ . 1 . 2 ]" 1
194 1 20 ILE HB 1 21 THR H 3.800 . 3.800 2.542 2.365 2.698 . 0 0 "[ . 1 . 2 ]" 1
195 1 20 ILE HB 1 21 THR MG 4.110 . 4.110 3.843 3.578 4.498 0.388 7 0 "[ . 1 . 2 ]" 1
196 1 20 ILE QG 1 20 ILE MG 2.990 . 2.990 2.360 2.236 2.492 . 0 0 "[ . 1 . 2 ]" 1
197 1 20 ILE MG 1 21 THR H 3.840 . 3.840 2.846 2.631 3.114 . 0 0 "[ . 1 . 2 ]" 1
198 1 20 ILE MG 1 21 THR HA 4.690 . 4.690 3.034 2.910 3.215 . 0 0 "[ . 1 . 2 ]" 1
199 1 20 ILE MG 1 24 MET ME 3.350 . 3.350 2.657 1.979 3.549 0.199 14 0 "[ . 1 . 2 ]" 1
200 1 20 ILE MG 1 24 MET QG 3.990 . 3.990 3.372 2.726 4.037 0.047 15 0 "[ . 1 . 2 ]" 1
201 1 21 THR H 1 21 THR MG 3.980 . 3.980 1.813 1.716 2.472 . 0 0 "[ . 1 . 2 ]" 1
202 1 21 THR H 1 22 LEU H 4.060 . 4.060 2.630 2.538 2.727 . 0 0 "[ . 1 . 2 ]" 1
203 1 21 THR H 1 22 LEU HB2 4.440 . 4.440 4.575 4.481 4.688 0.248 17 0 "[ . 1 . 2 ]" 1
204 1 21 THR HA 1 21 THR MG 3.740 . 3.740 3.186 3.176 3.196 . 0 0 "[ . 1 . 2 ]" 1
205 1 21 THR HA 1 24 MET H 4.350 . 4.350 3.549 3.280 4.000 . 0 0 "[ . 1 . 2 ]" 1
206 1 21 THR HA 1 25 LEU H 4.760 . 4.760 4.636 4.074 4.959 0.199 3 0 "[ . 1 . 2 ]" 1
207 1 21 THR HB 1 22 LEU H 4.160 . 4.160 3.977 3.766 4.068 . 0 0 "[ . 1 . 2 ]" 1
208 1 21 THR MG 1 22 LEU H 4.170 . 4.170 1.965 1.810 2.042 . 0 0 "[ . 1 . 2 ]" 1
209 1 21 THR MG 1 22 LEU HA 4.540 . 4.540 3.342 3.032 3.462 . 0 0 "[ . 1 . 2 ]" 1
210 1 21 THR MG 1 22 LEU MD2 3.890 . 3.890 3.584 3.303 3.926 0.036 8 0 "[ . 1 . 2 ]" 1
211 1 21 THR MG 1 22 LEU HG 3.910 . 3.910 2.438 2.275 2.819 . 0 0 "[ . 1 . 2 ]" 1
212 1 22 LEU H 1 22 LEU HB2 3.600 . 3.600 2.263 2.209 2.295 . 0 0 "[ . 1 . 2 ]" 1
213 1 22 LEU H 1 22 LEU HB3 3.910 . 3.910 3.545 3.515 3.571 . 0 0 "[ . 1 . 2 ]" 1
214 1 22 LEU H 1 22 LEU MD1 3.810 . 3.810 3.468 3.266 3.700 . 0 0 "[ . 1 . 2 ]" 1
215 1 22 LEU H 1 22 LEU HG 3.640 . 3.640 2.589 2.473 2.766 . 0 0 "[ . 1 . 2 ]" 1
216 1 22 LEU HA 1 22 LEU MD2 3.570 . 3.570 2.179 2.120 2.248 . 0 0 "[ . 1 . 2 ]" 1
217 1 22 LEU HA 1 25 LEU QB 5.120 . 5.120 2.781 2.270 3.180 . 0 0 "[ . 1 . 2 ]" 1
218 1 22 LEU HA 1 26 LYS H 4.530 . 4.530 4.438 3.806 4.700 0.170 10 0 "[ . 1 . 2 ]" 1
219 1 22 LEU HB2 1 23 VAL H 4.160 . 4.160 2.703 2.475 2.807 . 0 0 "[ . 1 . 2 ]" 1
220 1 22 LEU HB3 1 23 VAL H 4.520 . 4.520 3.392 3.138 3.506 . 0 0 "[ . 1 . 2 ]" 1
221 1 22 LEU MD1 1 26 LYS QE 5.030 . 5.030 4.362 3.435 5.216 0.186 15 0 "[ . 1 . 2 ]" 1
222 1 22 LEU MD2 1 26 LYS QG 4.380 . 4.380 4.104 3.465 4.603 0.223 8 0 "[ . 1 . 2 ]" 1
223 1 22 LEU HG 1 23 VAL H 5.400 . 5.400 4.608 4.503 4.710 . 0 0 "[ . 1 . 2 ]" 1
224 1 23 VAL H 1 23 VAL HB 3.560 . 3.560 2.429 2.361 2.535 . 0 0 "[ . 1 . 2 ]" 1
225 1 23 VAL H 1 23 VAL MG1 4.580 . 4.580 3.740 3.721 3.769 . 0 0 "[ . 1 . 2 ]" 1
226 1 23 VAL H 1 23 VAL MG2 3.620 . 3.620 2.195 2.004 2.319 . 0 0 "[ . 1 . 2 ]" 1
227 1 23 VAL H 1 24 MET QG 4.740 . 4.740 4.193 3.656 4.742 0.002 17 0 "[ . 1 . 2 ]" 1
228 1 23 VAL H 1 26 LYS QB 5.640 . 5.640 4.961 4.070 5.363 . 0 0 "[ . 1 . 2 ]" 1
229 1 23 VAL HA 1 26 LYS H 4.540 . 4.540 3.360 3.166 3.568 . 0 0 "[ . 1 . 2 ]" 1
230 1 23 VAL HA 1 26 LYS QB 4.770 . 4.770 2.642 2.289 2.935 . 0 0 "[ . 1 . 2 ]" 1
231 1 23 VAL HB 1 24 MET H 3.370 . 3.370 2.763 2.033 3.120 . 0 0 "[ . 1 . 2 ]" 1
232 1 23 VAL MG1 1 24 MET H 4.060 . 4.060 3.337 2.647 3.728 . 0 0 "[ . 1 . 2 ]" 1
233 1 23 VAL MG1 1 24 MET HA 4.410 . 4.410 3.358 3.061 3.611 . 0 0 "[ . 1 . 2 ]" 1
234 1 23 VAL MG1 1 26 LYS QD 4.210 . 4.210 3.472 2.801 4.240 0.030 15 0 "[ . 1 . 2 ]" 1
235 1 23 VAL MG2 1 24 MET H 4.190 . 4.190 3.972 3.681 4.122 . 0 0 "[ . 1 . 2 ]" 1
236 1 23 VAL MG2 1 26 LYS QB 4.060 . 4.060 4.123 3.868 4.396 0.336 1 0 "[ . 1 . 2 ]" 1
237 1 24 MET H 1 24 MET QB 3.530 . 3.530 2.462 2.328 2.560 . 0 0 "[ . 1 . 2 ]" 1
238 1 24 MET H 1 24 MET QG 3.670 . 3.670 2.135 1.950 2.436 . 0 0 "[ . 1 . 2 ]" 1
239 1 24 MET H 1 25 LEU H 3.750 . 3.750 2.573 2.355 2.968 . 0 0 "[ . 1 . 2 ]" 1
240 1 24 MET H 1 26 LYS H 4.640 . 4.640 3.830 3.561 4.143 . 0 0 "[ . 1 . 2 ]" 1
241 1 24 MET H 1 26 LYS QB 4.790 . 4.790 4.787 4.339 4.952 0.162 20 0 "[ . 1 . 2 ]" 1
242 1 24 MET HA 1 27 LYS H 3.720 . 3.720 3.747 3.572 3.928 0.208 1 0 "[ . 1 . 2 ]" 1
243 1 24 MET QB 1 25 LEU H 4.140 . 4.140 2.660 2.482 2.806 . 0 0 "[ . 1 . 2 ]" 1
244 1 24 MET QB 1 26 LYS H 4.680 . 4.680 4.477 4.288 4.605 . 0 0 "[ . 1 . 2 ]" 1
245 1 25 LEU H 1 25 LEU HB2 4.120 . 4.120 2.405 2.171 2.587 . 0 0 "[ . 1 . 2 ]" 1
246 1 25 LEU H 1 25 LEU QB 3.270 . 3.270 2.337 2.151 2.532 . 0 0 "[ . 1 . 2 ]" 1
247 1 25 LEU H 1 25 LEU HB3 4.120 . 4.120 3.429 2.448 3.615 . 0 0 "[ . 1 . 2 ]" 1
248 1 25 LEU H 1 25 LEU MD1 5.090 . 5.090 3.501 2.113 4.296 . 0 0 "[ . 1 . 2 ]" 1
249 1 25 LEU H 1 25 LEU QD 4.300 . 4.300 2.810 1.950 3.723 . 0 0 "[ . 1 . 2 ]" 1
250 1 25 LEU H 1 25 LEU MD2 5.090 . 5.090 3.281 1.955 4.383 . 0 0 "[ . 1 . 2 ]" 1
251 1 25 LEU H 1 26 LYS H 3.850 . 3.850 2.446 2.363 2.523 . 0 0 "[ . 1 . 2 ]" 1
252 1 25 LEU HA 1 25 LEU MD1 4.380 . 4.380 3.123 2.111 3.833 . 0 0 "[ . 1 . 2 ]" 1
253 1 25 LEU HA 1 25 LEU QD 3.310 . 3.310 2.179 1.974 3.048 . 0 0 "[ . 1 . 2 ]" 1
254 1 25 LEU HA 1 25 LEU MD2 4.380 . 4.380 2.616 2.108 3.816 . 0 0 "[ . 1 . 2 ]" 1
255 1 25 LEU HA 1 28 LYS H 3.130 . 3.130 3.167 3.088 3.250 0.120 14 0 "[ . 1 . 2 ]" 1
256 1 25 LEU MD1 1 26 LYS H 5.440 . 5.440 4.731 3.974 4.970 . 0 0 "[ . 1 . 2 ]" 1
257 1 25 LEU MD2 1 26 LYS H 5.440 . 5.440 4.515 3.270 5.046 . 0 0 "[ . 1 . 2 ]" 1
258 1 26 LYS H 1 26 LYS QB 3.330 . 3.330 2.304 2.166 2.387 . 0 0 "[ . 1 . 2 ]" 1
259 1 26 LYS H 1 26 LYS QD 4.760 . 4.760 3.990 3.623 4.773 0.013 8 0 "[ . 1 . 2 ]" 1
260 1 26 LYS H 1 26 LYS QG 3.960 . 3.960 2.695 2.302 3.878 . 0 0 "[ . 1 . 2 ]" 1
261 1 26 LYS H 1 27 LYS H 4.330 . 4.330 2.581 2.318 2.712 . 0 0 "[ . 1 . 2 ]" 1
262 1 26 LYS H 1 27 LYS QG 5.150 . 5.150 3.742 3.398 3.944 . 0 0 "[ . 1 . 2 ]" 1
263 1 26 LYS HA 1 26 LYS QD 3.940 . 3.940 3.923 3.869 4.080 0.140 14 0 "[ . 1 . 2 ]" 1
264 1 26 LYS HA 1 26 LYS QG 3.890 . 3.890 2.258 2.199 2.285 . 0 0 "[ . 1 . 2 ]" 1
265 1 26 LYS QB 1 27 LYS H 4.130 . 4.130 2.722 2.483 3.251 . 0 0 "[ . 1 . 2 ]" 1
266 1 27 LYS H 1 27 LYS QD 4.990 . 4.990 3.921 3.588 4.390 . 0 0 "[ . 1 . 2 ]" 1
267 1 27 LYS H 1 27 LYS HG2 4.570 . 4.570 2.016 1.781 2.944 . 0 0 "[ . 1 . 2 ]" 1
268 1 27 LYS H 1 27 LYS QG 3.870 . 3.870 1.940 1.750 2.368 . 0 0 "[ . 1 . 2 ]" 1
269 1 27 LYS H 1 27 LYS HG3 4.570 . 4.570 2.878 2.204 3.333 . 0 0 "[ . 1 . 2 ]" 1
270 1 27 LYS H 1 28 LYS H 4.470 . 4.470 2.338 1.883 2.529 . 0 0 "[ . 1 . 2 ]" 1
271 1 27 LYS H 1 28 LYS QB 5.260 . 5.260 4.430 3.813 5.143 . 0 0 "[ . 1 . 2 ]" 1
272 1 27 LYS HA 1 28 LYS HA 4.980 . 4.980 4.718 4.419 5.135 0.155 3 0 "[ . 1 . 2 ]" 1
273 1 27 LYS QB 1 28 LYS H 4.210 . 4.210 3.885 3.316 3.992 . 0 0 "[ . 1 . 2 ]" 1
274 1 27 LYS HG2 1 28 LYS H 4.370 . 4.370 3.671 3.283 4.700 0.330 11 0 "[ . 1 . 2 ]" 1
275 1 27 LYS HG3 1 28 LYS H 4.370 . 4.370 3.471 2.999 4.282 . 0 0 "[ . 1 . 2 ]" 1
276 1 28 LYS H 1 28 LYS QB 3.570 . 3.570 2.909 2.305 3.341 . 0 0 "[ . 1 . 2 ]" 1
277 1 28 LYS H 1 28 LYS QG 4.130 . 4.130 3.533 2.584 4.205 0.075 1 0 "[ . 1 . 2 ]" 1
278 1 28 LYS HA 1 28 LYS QE 4.510 . 4.510 4.450 3.903 4.643 0.133 4 0 "[ . 1 . 2 ]" 1
279 2 1 LYS HA 2 4 ILE HB 4.610 . 4.610 3.082 2.336 3.533 . 0 0 "[ . 1 . 2 ]" 1
280 2 1 LYS HA 2 4 ILE MD 4.530 . 4.530 2.396 2.224 3.030 . 0 0 "[ . 1 . 2 ]" 1
281 2 1 LYS HA 2 5 ILE H 4.640 . 4.640 4.446 3.753 4.886 0.246 1 0 "[ . 1 . 2 ]" 1
282 2 3 ALA MB 2 4 ILE H 3.910 . 3.910 2.618 2.178 2.815 . 0 0 "[ . 1 . 2 ]" 1
283 2 3 ALA MB 2 4 ILE MD 4.650 . 4.650 4.406 4.175 4.532 . 0 0 "[ . 1 . 2 ]" 1
284 2 3 ALA MB 2 4 ILE HG13 3.520 . 3.520 3.213 3.000 3.364 . 0 0 "[ . 1 . 2 ]" 1
285 2 4 ILE H 2 4 ILE HB 3.640 . 3.640 2.443 2.394 2.614 . 0 0 "[ . 1 . 2 ]" 1
286 2 4 ILE H 2 4 ILE MD 4.470 . 4.470 3.443 3.396 3.501 . 0 0 "[ . 1 . 2 ]" 1
287 2 4 ILE H 2 4 ILE HG12 4.170 . 4.170 3.548 3.278 3.663 . 0 0 "[ . 1 . 2 ]" 1
288 2 4 ILE H 2 4 ILE HG13 4.030 . 4.030 2.202 1.965 2.329 . 0 0 "[ . 1 . 2 ]" 1
289 2 4 ILE H 2 5 ILE H 4.060 . 4.060 2.660 2.562 3.105 . 0 0 "[ . 1 . 2 ]" 1
290 2 4 ILE HA 2 4 ILE MD 4.550 . 4.550 3.811 3.800 3.852 . 0 0 "[ . 1 . 2 ]" 1
291 2 4 ILE HA 2 7 LEU H 4.540 . 4.540 4.000 3.858 4.124 . 0 0 "[ . 1 . 2 ]" 1
292 2 4 ILE HA 2 7 LEU QB 4.660 . 4.660 4.195 3.577 4.512 . 0 0 "[ . 1 . 2 ]" 1
293 2 4 ILE HA 2 7 LEU MD1 4.360 . 4.360 2.692 2.320 2.964 . 0 0 "[ . 1 . 2 ]" 1
294 2 4 ILE HB 2 4 ILE MD 3.710 . 3.710 2.271 2.234 2.358 . 0 0 "[ . 1 . 2 ]" 1
295 2 4 ILE HG12 2 7 LEU MD1 3.930 . 3.930 3.889 3.650 4.011 0.081 18 0 "[ . 1 . 2 ]" 1
296 2 4 ILE MG 2 5 ILE H 4.300 . 4.300 3.300 3.058 3.524 . 0 0 "[ . 1 . 2 ]" 1
297 2 5 ILE H 2 5 ILE HB 3.800 . 3.800 3.017 2.435 3.597 . 0 0 "[ . 1 . 2 ]" 1
298 2 5 ILE H 2 5 ILE MD 3.800 . 3.800 3.286 2.756 3.730 . 0 0 "[ . 1 . 2 ]" 1
299 2 5 ILE H 2 5 ILE HG12 4.110 . 4.110 2.361 1.815 3.591 . 0 0 "[ . 1 . 2 ]" 1
300 2 5 ILE H 2 5 ILE QG 3.530 . 3.530 1.958 1.717 2.206 . 0 0 "[ . 1 . 2 ]" 1
301 2 5 ILE H 2 5 ILE HG13 4.110 . 4.110 2.861 1.752 3.528 . 0 0 "[ . 1 . 2 ]" 1
302 2 5 ILE H 2 6 GLY H 4.190 . 4.190 2.696 2.593 2.812 . 0 0 "[ . 1 . 2 ]" 1
303 2 5 ILE HA 2 5 ILE MD 4.760 . 4.760 3.337 2.067 4.133 . 0 0 "[ . 1 . 2 ]" 1
304 2 5 ILE HA 2 8 MET H 4.430 . 4.430 3.202 2.945 3.711 . 0 0 "[ . 1 . 2 ]" 1
305 2 5 ILE HA 2 8 MET QB 5.030 . 5.030 3.125 2.821 3.682 . 0 0 "[ . 1 . 2 ]" 1
306 2 5 ILE HB 2 5 ILE MD 3.580 . 3.580 2.601 2.211 3.223 . 0 0 "[ . 1 . 2 ]" 1
307 2 5 ILE MD 2 6 GLY H 5.200 . 5.200 4.076 2.442 4.531 . 0 0 "[ . 1 . 2 ]" 1
308 2 5 ILE MG 2 6 GLY H 4.610 . 4.610 3.696 3.303 4.005 . 0 0 "[ . 1 . 2 ]" 1
309 2 6 GLY H 2 7 LEU H 4.450 . 4.450 2.892 2.732 3.183 . 0 0 "[ . 1 . 2 ]" 1
310 2 6 GLY QA 2 7 LEU MD2 4.840 . 4.840 3.889 3.742 4.351 . 0 0 "[ . 1 . 2 ]" 1
311 2 6 GLY QA 2 9 VAL H 4.650 . 4.650 3.861 3.628 4.034 . 0 0 "[ . 1 . 2 ]" 1
312 2 7 LEU H 2 7 LEU QB 3.590 . 3.590 2.539 2.486 2.685 . 0 0 "[ . 1 . 2 ]" 1
313 2 7 LEU H 2 7 LEU MD2 4.460 . 4.460 3.092 2.700 3.271 . 0 0 "[ . 1 . 2 ]" 1
314 2 7 LEU H 2 7 LEU HG 4.140 . 4.140 2.004 1.750 2.130 . 0 0 "[ . 1 . 2 ]" 1
315 2 7 LEU H 2 8 MET H 4.160 . 4.160 2.497 2.323 2.930 . 0 0 "[ . 1 . 2 ]" 1
316 2 7 LEU HA 2 7 LEU MD1 4.510 . 4.510 3.827 3.810 3.852 . 0 0 "[ . 1 . 2 ]" 1
317 2 7 LEU HA 2 7 LEU MD2 4.530 . 4.530 2.134 2.113 2.160 . 0 0 "[ . 1 . 2 ]" 1
318 2 7 LEU HA 2 10 GLY H 4.610 . 4.610 3.422 2.970 3.589 . 0 0 "[ . 1 . 2 ]" 1
319 2 7 LEU QB 2 8 MET H 3.890 . 3.890 2.766 2.643 2.972 . 0 0 "[ . 1 . 2 ]" 1
320 2 7 LEU HB2 2 8 MET H 4.490 . 4.490 2.827 2.694 3.053 . 0 0 "[ . 1 . 2 ]" 1
321 2 7 LEU HB3 2 8 MET H 4.490 . 4.490 3.933 3.827 4.080 . 0 0 "[ . 1 . 2 ]" 1
322 2 7 LEU MD2 2 8 MET H 5.510 . 5.510 4.576 4.532 4.735 . 0 0 "[ . 1 . 2 ]" 1
323 2 8 MET H 2 8 MET HB2 4.140 . 4.140 2.540 2.459 2.640 . 0 0 "[ . 1 . 2 ]" 1
324 2 8 MET H 2 8 MET QB 3.620 . 3.620 2.266 2.240 2.282 . 0 0 "[ . 1 . 2 ]" 1
325 2 8 MET H 2 8 MET HB3 4.140 . 4.140 2.554 2.451 2.659 . 0 0 "[ . 1 . 2 ]" 1
326 2 8 MET H 2 8 MET QG 4.430 . 4.430 3.979 3.942 4.053 . 0 0 "[ . 1 . 2 ]" 1
327 2 8 MET H 2 9 VAL H 4.110 . 4.110 2.951 2.868 3.097 . 0 0 "[ . 1 . 2 ]" 1
328 2 8 MET H 2 9 VAL HA 5.440 . 5.440 5.471 5.405 5.571 0.131 14 0 "[ . 1 . 2 ]" 1
329 2 8 MET H 2 9 VAL MG1 5.330 . 5.330 4.455 4.193 4.862 . 0 0 "[ . 1 . 2 ]" 1
330 2 8 MET H 2 9 VAL MG2 4.490 . 4.490 3.772 3.556 4.238 . 0 0 "[ . 1 . 2 ]" 1
331 2 8 MET HA 2 11 GLY H 4.680 . 4.680 3.933 3.803 4.136 . 0 0 "[ . 1 . 2 ]" 1
332 2 8 MET QB 2 9 VAL H 4.340 . 4.340 2.113 2.026 2.318 . 0 0 "[ . 1 . 2 ]" 1
333 2 8 MET ME 2 9 VAL MG1 3.920 . 3.920 3.433 2.854 3.969 0.049 19 0 "[ . 1 . 2 ]" 1
334 2 9 VAL H 2 9 VAL HB 3.740 . 3.740 3.588 3.579 3.593 . 0 0 "[ . 1 . 2 ]" 1
335 2 9 VAL H 2 9 VAL MG1 3.980 . 3.980 2.057 1.797 2.360 . 0 0 "[ . 1 . 2 ]" 1
336 2 9 VAL H 2 9 VAL MG2 3.550 . 3.550 1.953 1.822 2.257 . 0 0 "[ . 1 . 2 ]" 1
337 2 9 VAL H 2 10 GLY H 3.980 . 3.980 2.626 2.490 2.771 . 0 0 "[ . 1 . 2 ]" 1
338 2 9 VAL HA 2 9 VAL MG1 3.430 . 3.430 2.340 2.262 2.440 . 0 0 "[ . 1 . 2 ]" 1
339 2 9 VAL HA 2 12 VAL H 3.960 . 3.960 3.518 3.295 3.636 . 0 0 "[ . 1 . 2 ]" 1
340 2 9 VAL HA 2 12 VAL HB 4.230 . 4.230 3.168 2.748 3.598 . 0 0 "[ . 1 . 2 ]" 1
341 2 9 VAL HA 2 12 VAL MG2 3.680 . 3.680 2.120 2.060 2.333 . 0 0 "[ . 1 . 2 ]" 1
342 2 9 VAL HB 2 10 GLY H 4.030 . 4.030 4.005 3.790 4.125 0.095 19 0 "[ . 1 . 2 ]" 1
343 2 9 VAL MG1 2 10 GLY H 4.470 . 4.470 3.973 3.700 4.139 . 0 0 "[ . 1 . 2 ]" 1
344 2 9 VAL MG2 2 10 GLY H 4.580 . 4.580 2.393 1.868 2.485 . 0 0 "[ . 1 . 2 ]" 1
345 2 10 GLY QA 2 12 VAL HB 4.770 . 4.770 4.688 4.529 4.805 0.035 18 0 "[ . 1 . 2 ]" 1
346 2 10 GLY QA 2 13 VAL H 3.950 . 3.950 3.806 3.477 3.949 . 0 0 "[ . 1 . 2 ]" 1
347 2 10 GLY QA 2 13 VAL QG 4.650 . 4.650 2.902 2.154 3.652 . 0 0 "[ . 1 . 2 ]" 1
348 2 11 GLY H 2 12 VAL H 4.060 . 4.060 2.795 2.684 2.852 . 0 0 "[ . 1 . 2 ]" 1
349 2 11 GLY H 2 12 VAL HB 5.910 . 5.910 5.115 4.928 5.214 . 0 0 "[ . 1 . 2 ]" 1
350 2 11 GLY H 2 13 VAL HB 6.000 . 6.000 5.471 5.377 5.693 . 0 0 "[ . 1 . 2 ]" 1
351 2 11 GLY QA 2 14 ILE H 4.150 . 4.150 3.438 3.267 3.664 . 0 0 "[ . 1 . 2 ]" 1
352 2 12 VAL H 2 12 VAL HB 3.540 . 3.540 2.688 2.545 2.774 . 0 0 "[ . 1 . 2 ]" 1
353 2 12 VAL H 2 12 VAL MG1 4.050 . 4.050 3.719 3.687 3.744 . 0 0 "[ . 1 . 2 ]" 1
354 2 12 VAL H 2 12 VAL MG2 3.420 . 3.420 1.786 1.694 1.975 . 0 0 "[ . 1 . 2 ]" 1
355 2 12 VAL H 2 13 VAL H 3.860 . 3.860 2.798 2.571 2.860 . 0 0 "[ . 1 . 2 ]" 1
356 2 12 VAL HA 2 12 VAL MG2 3.310 . 3.310 2.419 2.367 2.471 . 0 0 "[ . 1 . 2 ]" 1
357 2 12 VAL HA 2 15 ALA H 4.290 . 4.290 3.801 3.502 3.974 . 0 0 "[ . 1 . 2 ]" 1
358 2 12 VAL HA 2 15 ALA MB 4.000 . 4.000 3.817 3.310 4.026 0.026 14 0 "[ . 1 . 2 ]" 1
359 2 12 VAL HB 2 13 VAL H 3.540 . 3.540 3.156 3.107 3.210 . 0 0 "[ . 1 . 2 ]" 1
360 2 12 VAL MG1 2 15 ALA MB 4.410 . 4.410 3.096 2.826 3.309 . 0 0 "[ . 1 . 2 ]" 1
361 2 13 VAL H 2 13 VAL HB 3.880 . 3.880 2.441 2.386 2.532 . 0 0 "[ . 1 . 2 ]" 1
362 2 13 VAL H 2 13 VAL MG1 3.930 . 3.930 3.367 2.117 3.769 . 0 0 "[ . 1 . 2 ]" 1
363 2 13 VAL H 2 13 VAL QG 3.220 . 3.220 2.152 2.019 2.249 . 0 0 "[ . 1 . 2 ]" 1
364 2 13 VAL H 2 13 VAL MG2 3.930 . 3.930 2.538 2.027 3.745 . 0 0 "[ . 1 . 2 ]" 1
365 2 13 VAL HA 2 16 THR H 4.410 . 4.410 3.568 3.440 3.786 . 0 0 "[ . 1 . 2 ]" 1
366 2 13 VAL HA 2 16 THR HB 4.490 . 4.490 4.252 3.778 4.645 0.155 7 0 "[ . 1 . 2 ]" 1
367 2 13 VAL HB 2 14 ILE H 3.840 . 3.840 3.167 2.322 3.982 0.142 11 0 "[ . 1 . 2 ]" 1
368 2 13 VAL QG 2 14 ILE H 4.190 . 4.190 3.065 2.052 3.445 . 0 0 "[ . 1 . 2 ]" 1
369 2 14 ILE H 2 14 ILE HB 3.570 . 3.570 2.525 2.407 2.585 . 0 0 "[ . 1 . 2 ]" 1
370 2 14 ILE H 2 14 ILE MD 4.180 . 4.180 3.463 3.144 4.293 0.113 10 0 "[ . 1 . 2 ]" 1
371 2 14 ILE H 2 14 ILE HG12 4.240 . 4.240 3.299 2.091 4.563 0.323 13 0 "[ . 1 . 2 ]" 1
372 2 14 ILE H 2 14 ILE QG 3.700 . 3.700 2.309 1.908 3.990 0.290 13 0 "[ . 1 . 2 ]" 1
373 2 14 ILE H 2 14 ILE HG13 4.240 . 4.240 2.701 1.920 4.405 0.165 13 0 "[ . 1 . 2 ]" 1
374 2 14 ILE H 2 14 ILE MG 4.540 . 4.540 3.625 2.087 3.807 . 0 0 "[ . 1 . 2 ]" 1
375 2 14 ILE H 2 15 ALA H 3.740 . 3.740 2.684 2.608 2.913 . 0 0 "[ . 1 . 2 ]" 1
376 2 14 ILE H 2 16 THR H 4.870 . 4.870 4.834 4.741 4.973 0.103 18 0 "[ . 1 . 2 ]" 1
377 2 14 ILE H 2 16 THR MG 4.660 . 4.660 4.653 4.261 4.934 0.274 1 0 "[ . 1 . 2 ]" 1
378 2 14 ILE HA 2 14 ILE MD 4.070 . 4.070 3.329 2.064 3.831 . 0 0 "[ . 1 . 2 ]" 1
379 2 14 ILE HA 2 16 THR H 5.070 . 5.070 4.724 4.408 4.863 . 0 0 "[ . 1 . 2 ]" 1
380 2 14 ILE HA 2 17 VAL H 4.560 . 4.560 3.513 3.158 3.870 . 0 0 "[ . 1 . 2 ]" 1
381 2 14 ILE HA 2 17 VAL HB 4.090 . 4.090 2.820 2.376 4.199 0.109 12 0 "[ . 1 . 2 ]" 1
382 2 14 ILE HA 2 18 ILE MD 4.370 . 4.370 4.472 4.306 4.543 0.173 3 0 "[ . 1 . 2 ]" 1
383 2 14 ILE HB 2 15 ALA H 3.920 . 3.920 3.178 3.013 3.953 0.033 10 0 "[ . 1 . 2 ]" 1
384 2 14 ILE MD 2 15 ALA H 4.870 . 4.870 4.775 4.625 4.930 0.060 21 0 "[ . 1 . 2 ]" 1
385 2 14 ILE QG 2 15 ALA H 4.750 . 4.750 4.183 3.854 4.284 . 0 0 "[ . 1 . 2 ]" 1
386 2 14 ILE MG 2 15 ALA H 4.240 . 4.240 3.576 2.056 3.792 . 0 0 "[ . 1 . 2 ]" 1
387 2 14 ILE MG 2 15 ALA HA 4.520 . 4.520 3.589 3.066 3.778 . 0 0 "[ . 1 . 2 ]" 1
388 2 14 ILE MG 2 15 ALA MB 4.520 . 4.520 4.292 3.137 4.550 0.030 18 0 "[ . 1 . 2 ]" 1
389 2 15 ALA H 2 15 ALA MB 3.240 . 3.240 2.227 2.214 2.240 . 0 0 "[ . 1 . 2 ]" 1
390 2 15 ALA H 2 16 THR H 3.840 . 3.840 2.854 2.757 2.977 . 0 0 "[ . 1 . 2 ]" 1
391 2 15 ALA H 2 16 THR MG 4.440 . 4.440 3.974 3.400 4.342 . 0 0 "[ . 1 . 2 ]" 1
392 2 15 ALA H 2 17 VAL H 4.470 . 4.470 4.055 3.937 4.159 . 0 0 "[ . 1 . 2 ]" 1
393 2 15 ALA HA 2 18 ILE H 4.320 . 4.320 3.575 3.455 3.693 . 0 0 "[ . 1 . 2 ]" 1
394 2 15 ALA HA 2 18 ILE HB 4.700 . 4.700 2.859 2.724 3.025 . 0 0 "[ . 1 . 2 ]" 1
395 2 15 ALA HA 2 18 ILE MD 4.310 . 4.310 2.353 2.259 2.541 . 0 0 "[ . 1 . 2 ]" 1
396 2 15 ALA HA 2 18 ILE MG 5.050 . 5.050 4.188 4.057 4.332 . 0 0 "[ . 1 . 2 ]" 1
397 2 15 ALA HA 2 19 VAL H 4.430 . 4.430 4.218 4.038 4.555 0.125 18 0 "[ . 1 . 2 ]" 1
398 2 15 ALA MB 2 16 THR H 3.910 . 3.910 2.164 2.099 2.217 . 0 0 "[ . 1 . 2 ]" 1
399 2 15 ALA MB 2 16 THR MG 4.150 . 4.150 3.858 3.320 4.258 0.108 4 0 "[ . 1 . 2 ]" 1
400 2 15 ALA MB 2 18 ILE MD 4.720 . 4.720 3.695 3.539 3.841 . 0 0 "[ . 1 . 2 ]" 1
401 2 15 ALA MB 2 19 VAL MG2 3.650 . 3.650 3.519 3.301 3.713 0.063 7 0 "[ . 1 . 2 ]" 1
402 2 16 THR H 2 16 THR HB 3.700 . 3.700 2.434 2.228 2.760 . 0 0 "[ . 1 . 2 ]" 1
403 2 16 THR H 2 16 THR MG 3.980 . 3.980 2.314 1.766 2.692 . 0 0 "[ . 1 . 2 ]" 1
404 2 16 THR H 2 18 ILE H 5.130 . 5.130 4.492 4.378 4.599 . 0 0 "[ . 1 . 2 ]" 1
405 2 16 THR HA 2 19 VAL H 4.210 . 4.210 3.581 3.374 3.839 . 0 0 "[ . 1 . 2 ]" 1
406 2 16 THR HA 2 19 VAL HB 4.740 . 4.740 2.779 2.588 3.146 . 0 0 "[ . 1 . 2 ]" 1
407 2 16 THR HA 2 19 VAL MG1 4.650 . 4.650 4.130 3.991 4.437 . 0 0 "[ . 1 . 2 ]" 1
408 2 16 THR HA 2 19 VAL MG2 4.280 . 4.280 3.216 2.850 3.440 . 0 0 "[ . 1 . 2 ]" 1
409 2 16 THR HA 2 20 ILE H 4.160 . 4.160 3.964 3.760 4.454 0.294 7 0 "[ . 1 . 2 ]" 1
410 2 16 THR HB 2 17 VAL H 4.030 . 4.030 3.838 3.675 4.077 0.047 7 0 "[ . 1 . 2 ]" 1
411 2 16 THR MG 2 17 VAL HA 4.310 . 4.310 3.200 2.939 3.669 . 0 0 "[ . 1 . 2 ]" 1
412 2 17 VAL H 2 17 VAL HB 3.480 . 3.480 2.455 2.405 2.714 . 0 0 "[ . 1 . 2 ]" 1
413 2 17 VAL H 2 17 VAL MG1 3.830 . 3.830 3.653 1.758 3.774 . 0 0 "[ . 1 . 2 ]" 1
414 2 17 VAL H 2 17 VAL QG 3.180 . 3.180 2.184 1.755 2.257 . 0 0 "[ . 1 . 2 ]" 1
415 2 17 VAL H 2 17 VAL MG2 3.830 . 3.830 2.294 2.184 3.757 . 0 0 "[ . 1 . 2 ]" 1
416 2 17 VAL H 2 18 ILE H 3.700 . 3.700 2.732 2.675 2.778 . 0 0 "[ . 1 . 2 ]" 1
417 2 17 VAL H 2 18 ILE HG13 4.440 . 4.440 4.530 4.432 4.657 0.217 12 0 "[ . 1 . 2 ]" 1
418 2 17 VAL HA 2 20 ILE H 3.680 . 3.680 3.343 3.237 3.504 . 0 0 "[ . 1 . 2 ]" 1
419 2 17 VAL HA 2 20 ILE HB 4.510 . 4.510 2.421 2.309 3.209 . 0 0 "[ . 1 . 2 ]" 1
420 2 17 VAL HA 2 20 ILE MD 4.060 . 4.060 3.126 2.071 4.356 0.296 20 0 "[ . 1 . 2 ]" 1
421 2 17 VAL HA 2 20 ILE QG 4.980 . 4.980 3.108 2.335 3.869 . 0 0 "[ . 1 . 2 ]" 1
422 2 17 VAL HB 2 18 ILE H 4.070 . 4.070 2.441 2.282 3.909 . 0 0 "[ . 1 . 2 ]" 1
423 2 17 VAL QG 2 18 ILE H 3.910 . 3.910 2.918 1.799 3.018 . 0 0 "[ . 1 . 2 ]" 1
424 2 18 ILE H 2 18 ILE HB 3.680 . 3.680 2.466 2.402 2.503 . 0 0 "[ . 1 . 2 ]" 1
425 2 18 ILE H 2 18 ILE HG12 3.920 . 3.920 3.556 3.514 3.649 . 0 0 "[ . 1 . 2 ]" 1
426 2 18 ILE H 2 18 ILE HG13 3.800 . 3.800 2.136 2.089 2.260 . 0 0 "[ . 1 . 2 ]" 1
427 2 18 ILE H 2 18 ILE MG 4.310 . 4.310 3.754 3.738 3.773 . 0 0 "[ . 1 . 2 ]" 1
428 2 18 ILE HA 2 18 ILE MD 4.760 . 4.760 3.822 3.810 3.835 . 0 0 "[ . 1 . 2 ]" 1
429 2 18 ILE HA 2 21 THR H 3.950 . 3.950 3.936 3.844 4.094 0.144 17 0 "[ . 1 . 2 ]" 1
430 2 18 ILE HA 2 21 THR HB 4.850 . 4.850 4.682 4.269 4.869 0.019 17 0 "[ . 1 . 2 ]" 1
431 2 18 ILE HA 2 21 THR MG 4.570 . 4.570 2.430 2.293 3.418 . 0 0 "[ . 1 . 2 ]" 1
432 2 18 ILE HB 2 19 VAL H 3.850 . 3.850 2.541 2.440 2.809 . 0 0 "[ . 1 . 2 ]" 1
433 2 18 ILE MG 2 19 VAL H 4.840 . 4.840 3.227 3.069 3.507 . 0 0 "[ . 1 . 2 ]" 1
434 2 18 ILE MG 2 21 THR MG 3.260 . 3.260 3.271 3.169 3.425 0.165 15 0 "[ . 1 . 2 ]" 1
435 2 19 VAL H 2 19 VAL HB 4.120 . 4.120 2.449 2.412 2.530 . 0 0 "[ . 1 . 2 ]" 1
436 2 19 VAL H 2 19 VAL MG1 3.850 . 3.850 3.734 3.721 3.760 . 0 0 "[ . 1 . 2 ]" 1
437 2 19 VAL H 2 19 VAL MG2 3.420 . 3.420 2.121 2.034 2.192 . 0 0 "[ . 1 . 2 ]" 1
438 2 19 VAL H 2 20 ILE H 3.900 . 3.900 2.670 2.561 2.711 . 0 0 "[ . 1 . 2 ]" 1
439 2 19 VAL HA 2 22 LEU H 4.060 . 4.060 3.453 3.258 3.660 . 0 0 "[ . 1 . 2 ]" 1
440 2 19 VAL HA 2 22 LEU HB2 4.430 . 4.430 2.344 2.242 2.490 . 0 0 "[ . 1 . 2 ]" 1
441 2 19 VAL HB 2 20 ILE H 3.860 . 3.860 2.549 2.399 2.629 . 0 0 "[ . 1 . 2 ]" 1
442 2 19 VAL MG1 2 20 ILE H 3.850 . 3.850 3.339 3.231 3.413 . 0 0 "[ . 1 . 2 ]" 1
443 2 19 VAL MG1 2 20 ILE HA 3.450 . 3.450 3.377 3.280 3.448 . 0 0 "[ . 1 . 2 ]" 1
444 2 19 VAL MG1 2 22 LEU HB3 4.480 . 4.480 4.243 3.690 4.563 0.083 15 0 "[ . 1 . 2 ]" 1
445 2 19 VAL MG1 2 23 VAL H 4.340 . 4.340 3.697 3.420 4.077 . 0 0 "[ . 1 . 2 ]" 1
446 2 20 ILE H 2 20 ILE QG 3.300 . 3.300 2.398 2.025 2.542 . 0 0 "[ . 1 . 2 ]" 1
447 2 20 ILE H 2 20 ILE MG 4.340 . 4.340 3.743 3.698 3.813 . 0 0 "[ . 1 . 2 ]" 1
448 2 20 ILE H 2 21 THR H 3.920 . 3.920 3.013 2.935 3.137 . 0 0 "[ . 1 . 2 ]" 1
449 2 20 ILE HA 2 20 ILE MG 3.670 . 3.670 2.541 2.421 2.591 . 0 0 "[ . 1 . 2 ]" 1
450 2 20 ILE HA 2 23 VAL H 3.910 . 3.910 3.649 3.476 3.967 0.057 15 0 "[ . 1 . 2 ]" 1
451 2 20 ILE HA 2 23 VAL HB 5.060 . 5.060 3.094 2.834 3.723 . 0 0 "[ . 1 . 2 ]" 1
452 2 20 ILE HA 2 23 VAL MG2 3.750 . 3.750 3.089 2.543 3.411 . 0 0 "[ . 1 . 2 ]" 1
453 2 20 ILE HB 2 20 ILE MD 3.690 . 3.690 2.671 2.229 3.183 . 0 0 "[ . 1 . 2 ]" 1
454 2 20 ILE HB 2 21 THR H 3.800 . 3.800 2.542 2.369 2.698 . 0 0 "[ . 1 . 2 ]" 1
455 2 20 ILE HB 2 21 THR MG 4.110 . 4.110 3.844 3.579 4.499 0.389 7 0 "[ . 1 . 2 ]" 1
456 2 20 ILE QG 2 20 ILE MG 2.990 . 2.990 2.359 2.237 2.492 . 0 0 "[ . 1 . 2 ]" 1
457 2 20 ILE MG 2 21 THR H 3.840 . 3.840 2.846 2.616 3.111 . 0 0 "[ . 1 . 2 ]" 1
458 2 20 ILE MG 2 21 THR HA 4.690 . 4.690 3.033 2.892 3.217 . 0 0 "[ . 1 . 2 ]" 1
459 2 20 ILE MG 2 24 MET ME 3.350 . 3.350 2.657 1.985 3.547 0.197 14 0 "[ . 1 . 2 ]" 1
460 2 20 ILE MG 2 24 MET QG 3.990 . 3.990 3.371 2.728 4.037 0.047 15 0 "[ . 1 . 2 ]" 1
461 2 21 THR H 2 21 THR MG 3.980 . 3.980 1.814 1.724 2.463 . 0 0 "[ . 1 . 2 ]" 1
462 2 21 THR H 2 22 LEU H 4.060 . 4.060 2.629 2.537 2.723 . 0 0 "[ . 1 . 2 ]" 1
463 2 21 THR H 2 22 LEU HB2 4.440 . 4.440 4.574 4.484 4.680 0.240 17 0 "[ . 1 . 2 ]" 1
464 2 21 THR HA 2 21 THR MG 3.740 . 3.740 3.186 3.176 3.196 . 0 0 "[ . 1 . 2 ]" 1
465 2 21 THR HA 2 24 MET H 4.350 . 4.350 3.549 3.283 4.003 . 0 0 "[ . 1 . 2 ]" 1
466 2 21 THR HA 2 25 LEU H 4.760 . 4.760 4.637 4.078 4.949 0.189 3 0 "[ . 1 . 2 ]" 1
467 2 21 THR HB 2 22 LEU H 4.160 . 4.160 3.978 3.762 4.070 . 0 0 "[ . 1 . 2 ]" 1
468 2 21 THR MG 2 22 LEU H 4.170 . 4.170 1.966 1.806 2.041 . 0 0 "[ . 1 . 2 ]" 1
469 2 21 THR MG 2 22 LEU HA 4.540 . 4.540 3.342 3.018 3.463 . 0 0 "[ . 1 . 2 ]" 1
470 2 21 THR MG 2 22 LEU MD2 3.890 . 3.890 3.585 3.306 3.930 0.040 8 0 "[ . 1 . 2 ]" 1
471 2 21 THR MG 2 22 LEU HG 3.910 . 3.910 2.440 2.275 2.824 . 0 0 "[ . 1 . 2 ]" 1
472 2 22 LEU H 2 22 LEU HB2 3.600 . 3.600 2.263 2.209 2.287 . 0 0 "[ . 1 . 2 ]" 1
473 2 22 LEU H 2 22 LEU HB3 3.910 . 3.910 3.545 3.514 3.574 . 0 0 "[ . 1 . 2 ]" 1
474 2 22 LEU H 2 22 LEU MD1 3.810 . 3.810 3.468 3.274 3.700 . 0 0 "[ . 1 . 2 ]" 1
475 2 22 LEU H 2 22 LEU HG 3.640 . 3.640 2.591 2.468 2.761 . 0 0 "[ . 1 . 2 ]" 1
476 2 22 LEU HA 2 22 LEU MD2 3.570 . 3.570 2.178 2.125 2.248 . 0 0 "[ . 1 . 2 ]" 1
477 2 22 LEU HA 2 25 LEU QB 5.120 . 5.120 2.781 2.271 3.178 . 0 0 "[ . 1 . 2 ]" 1
478 2 22 LEU HA 2 26 LYS H 4.530 . 4.530 4.437 3.807 4.698 0.168 10 0 "[ . 1 . 2 ]" 1
479 2 22 LEU HB2 2 23 VAL H 4.160 . 4.160 2.702 2.479 2.811 . 0 0 "[ . 1 . 2 ]" 1
480 2 22 LEU HB3 2 23 VAL H 4.520 . 4.520 3.390 3.141 3.507 . 0 0 "[ . 1 . 2 ]" 1
481 2 22 LEU MD1 2 26 LYS QE 5.030 . 5.030 4.359 3.438 5.221 0.191 15 0 "[ . 1 . 2 ]" 1
482 2 22 LEU MD2 2 26 LYS QG 4.380 . 4.380 4.101 3.464 4.605 0.225 8 0 "[ . 1 . 2 ]" 1
483 2 22 LEU HG 2 23 VAL H 5.400 . 5.400 4.608 4.511 4.710 . 0 0 "[ . 1 . 2 ]" 1
484 2 23 VAL H 2 23 VAL HB 3.560 . 3.560 2.430 2.360 2.539 . 0 0 "[ . 1 . 2 ]" 1
485 2 23 VAL H 2 23 VAL MG1 4.580 . 4.580 3.740 3.720 3.769 . 0 0 "[ . 1 . 2 ]" 1
486 2 23 VAL H 2 23 VAL MG2 3.620 . 3.620 2.194 1.998 2.318 . 0 0 "[ . 1 . 2 ]" 1
487 2 23 VAL H 2 24 MET QG 4.740 . 4.740 4.193 3.668 4.737 . 0 0 "[ . 1 . 2 ]" 1
488 2 23 VAL H 2 26 LYS QB 5.640 . 5.640 4.960 4.068 5.365 . 0 0 "[ . 1 . 2 ]" 1
489 2 23 VAL HA 2 26 LYS H 4.540 . 4.540 3.359 3.163 3.564 . 0 0 "[ . 1 . 2 ]" 1
490 2 23 VAL HA 2 26 LYS QB 4.770 . 4.770 2.640 2.285 2.938 . 0 0 "[ . 1 . 2 ]" 1
491 2 23 VAL HB 2 24 MET H 3.370 . 3.370 2.763 2.034 3.114 . 0 0 "[ . 1 . 2 ]" 1
492 2 23 VAL MG1 2 24 MET H 4.060 . 4.060 3.338 2.645 3.728 . 0 0 "[ . 1 . 2 ]" 1
493 2 23 VAL MG1 2 24 MET HA 4.410 . 4.410 3.359 3.062 3.612 . 0 0 "[ . 1 . 2 ]" 1
494 2 23 VAL MG1 2 26 LYS QD 4.210 . 4.210 3.471 2.783 4.240 0.030 15 0 "[ . 1 . 2 ]" 1
495 2 23 VAL MG2 2 24 MET H 4.190 . 4.190 3.971 3.682 4.121 . 0 0 "[ . 1 . 2 ]" 1
496 2 23 VAL MG2 2 26 LYS QB 4.060 . 4.060 4.121 3.863 4.396 0.336 1 0 "[ . 1 . 2 ]" 1
497 2 24 MET H 2 24 MET QB 3.530 . 3.530 2.463 2.327 2.560 . 0 0 "[ . 1 . 2 ]" 1
498 2 24 MET H 2 24 MET QG 3.670 . 3.670 2.135 1.940 2.436 . 0 0 "[ . 1 . 2 ]" 1
499 2 24 MET H 2 25 LEU H 3.750 . 3.750 2.573 2.357 2.972 . 0 0 "[ . 1 . 2 ]" 1
500 2 24 MET H 2 26 LYS H 4.640 . 4.640 3.830 3.559 4.145 . 0 0 "[ . 1 . 2 ]" 1
501 2 24 MET H 2 26 LYS QB 4.790 . 4.790 4.787 4.341 4.952 0.162 20 0 "[ . 1 . 2 ]" 1
502 2 24 MET HA 2 27 LYS H 3.720 . 3.720 3.749 3.577 3.928 0.208 1 0 "[ . 1 . 2 ]" 1
503 2 24 MET QB 2 25 LEU H 4.140 . 4.140 2.661 2.486 2.802 . 0 0 "[ . 1 . 2 ]" 1
504 2 24 MET QB 2 26 LYS H 4.680 . 4.680 4.478 4.289 4.604 . 0 0 "[ . 1 . 2 ]" 1
505 2 25 LEU H 2 25 LEU HB2 4.120 . 4.120 2.405 2.173 2.591 . 0 0 "[ . 1 . 2 ]" 1
506 2 25 LEU H 2 25 LEU QB 3.270 . 3.270 2.338 2.152 2.536 . 0 0 "[ . 1 . 2 ]" 1
507 2 25 LEU H 2 25 LEU HB3 4.120 . 4.120 3.430 2.445 3.617 . 0 0 "[ . 1 . 2 ]" 1
508 2 25 LEU H 2 25 LEU MD1 5.090 . 5.090 3.501 2.111 4.298 . 0 0 "[ . 1 . 2 ]" 1
509 2 25 LEU H 2 25 LEU QD 4.300 . 4.300 2.812 1.949 3.724 . 0 0 "[ . 1 . 2 ]" 1
510 2 25 LEU H 2 25 LEU MD2 5.090 . 5.090 3.283 1.954 4.380 . 0 0 "[ . 1 . 2 ]" 1
511 2 25 LEU H 2 26 LYS H 3.850 . 3.850 2.445 2.364 2.518 . 0 0 "[ . 1 . 2 ]" 1
512 2 25 LEU HA 2 25 LEU MD1 4.380 . 4.380 3.123 2.109 3.831 . 0 0 "[ . 1 . 2 ]" 1
513 2 25 LEU HA 2 25 LEU QD 3.310 . 3.310 2.179 1.973 3.049 . 0 0 "[ . 1 . 2 ]" 1
514 2 25 LEU HA 2 25 LEU MD2 4.380 . 4.380 2.616 2.108 3.816 . 0 0 "[ . 1 . 2 ]" 1
515 2 25 LEU HA 2 28 LYS H 3.130 . 3.130 3.167 3.092 3.252 0.122 14 0 "[ . 1 . 2 ]" 1
516 2 25 LEU MD1 2 26 LYS H 5.440 . 5.440 4.729 3.974 4.969 . 0 0 "[ . 1 . 2 ]" 1
517 2 25 LEU MD2 2 26 LYS H 5.440 . 5.440 4.516 3.276 5.053 . 0 0 "[ . 1 . 2 ]" 1
518 2 26 LYS H 2 26 LYS QB 3.330 . 3.330 2.304 2.167 2.387 . 0 0 "[ . 1 . 2 ]" 1
519 2 26 LYS H 2 26 LYS QD 4.760 . 4.760 3.990 3.627 4.772 0.012 8 0 "[ . 1 . 2 ]" 1
520 2 26 LYS H 2 26 LYS QG 3.960 . 3.960 2.695 2.302 3.878 . 0 0 "[ . 1 . 2 ]" 1
521 2 26 LYS H 2 27 LYS H 4.330 . 4.330 2.582 2.318 2.713 . 0 0 "[ . 1 . 2 ]" 1
522 2 26 LYS H 2 27 LYS QG 5.150 . 5.150 3.743 3.407 3.947 . 0 0 "[ . 1 . 2 ]" 1
523 2 26 LYS HA 2 26 LYS QD 3.940 . 3.940 3.924 3.872 4.080 0.140 14 0 "[ . 1 . 2 ]" 1
524 2 26 LYS HA 2 26 LYS QG 3.890 . 3.890 2.258 2.198 2.284 . 0 0 "[ . 1 . 2 ]" 1
525 2 26 LYS QB 2 27 LYS H 4.130 . 4.130 2.722 2.488 3.255 . 0 0 "[ . 1 . 2 ]" 1
526 2 27 LYS H 2 27 LYS QD 4.990 . 4.990 3.923 3.589 4.392 . 0 0 "[ . 1 . 2 ]" 1
527 2 27 LYS H 2 27 LYS HG2 4.570 . 4.570 2.018 1.779 2.957 . 0 0 "[ . 1 . 2 ]" 1
528 2 27 LYS H 2 27 LYS QG 3.870 . 3.870 1.941 1.749 2.371 . 0 0 "[ . 1 . 2 ]" 1
529 2 27 LYS H 2 27 LYS HG3 4.570 . 4.570 2.877 2.210 3.331 . 0 0 "[ . 1 . 2 ]" 1
530 2 27 LYS H 2 28 LYS H 4.470 . 4.470 2.339 1.893 2.532 . 0 0 "[ . 1 . 2 ]" 1
531 2 27 LYS H 2 28 LYS QB 5.260 . 5.260 4.430 3.817 5.150 . 0 0 "[ . 1 . 2 ]" 1
532 2 27 LYS HA 2 28 LYS HA 4.980 . 4.980 4.718 4.419 5.133 0.153 3 0 "[ . 1 . 2 ]" 1
533 2 27 LYS QB 2 28 LYS H 4.210 . 4.210 3.885 3.314 3.993 . 0 0 "[ . 1 . 2 ]" 1
534 2 27 LYS HG2 2 28 LYS H 4.370 . 4.370 3.674 3.285 4.700 0.330 11 0 "[ . 1 . 2 ]" 1
535 2 27 LYS HG3 2 28 LYS H 4.370 . 4.370 3.471 3.005 4.275 . 0 0 "[ . 1 . 2 ]" 1
536 2 28 LYS H 2 28 LYS QB 3.570 . 3.570 2.909 2.307 3.339 . 0 0 "[ . 1 . 2 ]" 1
537 2 28 LYS H 2 28 LYS QG 4.130 . 4.130 3.534 2.585 4.205 0.075 1 0 "[ . 1 . 2 ]" 1
538 2 28 LYS HA 2 28 LYS QE 4.510 . 4.510 4.451 3.903 4.644 0.134 4 0 "[ . 1 . 2 ]" 1
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