NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
446286 |
2klu   |
16853 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2klu
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 479
_Distance_constraint_stats_list.Viol_count 888
_Distance_constraint_stats_list.Viol_total 1997.476
_Distance_constraint_stats_list.Viol_max 0.966
_Distance_constraint_stats_list.Viol_rms 0.0647
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0104
_Distance_constraint_stats_list.Viol_average_violations_only 0.1125
_Distance_constraint_stats_list.Cutoff_violation_report 0.500
_Distance_constraint_stats_list.Details
;
Description of the tags in this list:
* 1 * Administrative tag
* 2 * Administrative tag
* 3 * Administrative tag
* 4 * ID of the restraint list.
* 5 * Number of restraints in list.
* 6 * Number of violated restraints (each model violation is used).
* 7 * Sum of violations in Angstrom.
* 8 * Maximum violation of a restraint without averaging in any way.
* 9 * Rms of violations over all restraints.
* 10 * Average violation over all restraints.
* 11 * Average violation over violated restraints.
This violation is averaged over only those models in which the restraint is violated.
These definitions are from: Doreleijers, et al., J. Mol. Biol. 281, 149-164 (1998).
* 12 * Threshold for reporting violations (in Angstrom) in the last columns of the next table.
* 13 * This tag
Description of the tags in the per residue table below:
* 1 * Chain identifier (can be absent if none defined)
* 2 * Residue number
* 3 * Residue name
* 4 * Maximum violation in ensemble of models (without any averaging)
* 5 * Model number with the maximum violation
* 6 * Number of models with a violation above cutoff
* 7 * List of models (1 character per model) with a violation above cutoff.
An '*' marks a violation above the cutoff. A '+' indicates the largest
violation above the cutoff and a '-' marks the smallest violation over cutoff.
For models 5, 15, 25,... a ' ' is replaced by a '.'.
For models 10, 20, 30,... a ' ' is replaced by a digit starting at 1.
* 8 * Administrative tag
* 9 * Administrative tag
Description of the tags in the per restraint table below:
* 1 * Restraint ID within restraint list.
First node, FIRST member, first atom's:
* 2 * Chain identifier (can be absent if none defined)
* 3 * Residue number
* 4 * Residue name
* 5 * Name of (pseudo-)atom
First node, SECOND member, first atom's:
* 6 * Chain identifier (can be absent if none defined)
* 7 * Residue number
* 8 * Residue name
* 9 * Name of (pseudo-)atom
FIRST node's:
* 10 * Target distance value (Angstrom)
* 11 * Lower bound distance (Angstrom)
* 12 * Upper bound distance (Angstrom)
* 13 * Average distance in ensemble of models
* 14 * Minimum distance in ensemble of models
* 15 * Maximum distance in ensemble of models
* 16 * Maximum violation (without any averaging)
* 17 * Model number with the maximum violation
* 18 * Number of models with a violation above cutoff
* 19 * List of models with a violation above cutoff. See description above.
* 20 * Administrative tag
* 21 * Administrative tag
;
loop_
_Distance_constraint_stats_per_res.Atom_entity_assembly_ID
_Distance_constraint_stats_per_res.Atom_comp_index_ID
_Distance_constraint_stats_per_res.Atom_comp_ID
_Distance_constraint_stats_per_res.Total_violation
_Distance_constraint_stats_per_res.Max_violation
_Distance_constraint_stats_per_res.Max_violation_model_number
_Distance_constraint_stats_per_res.Over_cutoff_viol_count
_Distance_constraint_stats_per_res.Over_cutoff_viol_per_model
1 2 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 3 LEU 1.142 0.083 19 0 "[ . 1 . 2]"
1 4 VAL 7.498 0.366 10 0 "[ . 1 . 2]"
1 5 PRO 5.839 0.366 10 0 "[ . 1 . 2]"
1 6 ARG 13.765 0.781 9 7 "[ - . +* * * * *2]"
1 7 GLY 2.649 0.425 20 0 "[ . 1 . 2]"
1 8 SER 0.096 0.046 9 0 "[ . 1 . 2]"
1 9 MET 3.472 0.461 18 0 "[ . 1 . 2]"
1 10 ALA 0.906 0.233 18 0 "[ . 1 . 2]"
1 11 LEU 1.263 0.186 18 0 "[ . 1 . 2]"
1 12 ILE 3.295 0.461 18 0 "[ . 1 . 2]"
1 13 VAL 0.058 0.009 8 0 "[ . 1 . 2]"
1 14 LEU 1.462 0.246 14 0 "[ . 1 . 2]"
1 15 GLY 3.222 0.246 14 0 "[ . 1 . 2]"
1 16 GLY 1.304 0.623 14 2 "[ . 1 +. - 2]"
1 17 VAL 9.265 0.862 16 10 "[ * ** 1* **+-**2]"
1 18 ALA 2.170 0.140 6 0 "[ . 1 . 2]"
1 19 GLY 0.021 0.009 5 0 "[ . 1 . 2]"
1 20 LEU 12.652 0.862 16 10 "[ * ** 1* **+*-*2]"
1 21 LEU 0.477 0.033 5 0 "[ . 1 . 2]"
1 22 LEU 0.085 0.058 3 0 "[ . 1 . 2]"
1 23 PHE 0.073 0.058 3 0 "[ . 1 . 2]"
1 24 ILE 5.230 0.398 12 0 "[ . 1 . 2]"
1 25 GLY 5.074 0.398 12 0 "[ . 1 . 2]"
1 26 LEU 0.410 0.234 17 0 "[ . 1 . 2]"
1 27 GLY 0.004 0.003 15 0 "[ . 1 . 2]"
1 28 ILE 0.154 0.067 17 0 "[ . 1 . 2]"
1 29 PHE 2.371 0.704 17 1 "[ . 1 . + 2]"
1 30 PHE 0.000 0.000 . 0 "[ . 1 . 2]"
1 31 SER 0.923 0.830 10 1 "[ . + . 2]"
1 32 VAL 1.303 0.830 10 1 "[ . + . 2]"
1 33 ARG 2.069 0.704 17 1 "[ . 1 . + 2]"
1 34 SER 0.864 0.315 4 0 "[ . 1 . 2]"
1 35 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 36 HIS 0.069 0.069 18 0 "[ . 1 . 2]"
1 37 ARG 1.573 0.338 3 0 "[ . 1 . 2]"
1 38 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 39 ARG 0.135 0.135 20 0 "[ . 1 . 2]"
1 40 GLN 0.233 0.135 20 0 "[ . 1 . 2]"
1 41 ALA 0.099 0.098 16 0 "[ . 1 . 2]"
1 42 GLU 0.637 0.338 3 0 "[ . 1 . 2]"
1 43 ARG 0.067 0.018 5 0 "[ . 1 . 2]"
1 44 MET 0.484 0.162 17 0 "[ . 1 . 2]"
1 45 SER 0.272 0.145 19 0 "[ . 1 . 2]"
1 46 GLN 0.000 0.000 . 0 "[ . 1 . 2]"
1 47 ILE 2.417 0.165 18 0 "[ . 1 . 2]"
1 48 LYS 3.613 0.462 9 0 "[ . 1 . 2]"
1 49 ARG 4.765 0.952 8 2 "[ . + 1 . -2]"
1 50 LEU 16.264 0.942 8 7 "[ ** .* + * . *-2]"
1 51 LEU 8.048 0.942 8 3 "[ . + 1 . *-2]"
1 52 SER 0.783 0.087 12 0 "[ . 1 . 2]"
1 53 GLU 2.245 0.397 6 0 "[ . 1 . 2]"
1 54 LYS 2.219 0.645 8 1 "[ . + 1 . 2]"
1 55 LYS 2.905 0.932 10 3 "[ -. *+ . 2]"
1 56 THR 2.490 0.932 10 3 "[ -. *+ . 2]"
1 58 GLN 0.345 0.345 8 0 "[ . 1 . 2]"
1 59 SER 0.000 0.000 . 0 "[ . 1 . 2]"
1 60 PRO 0.000 0.000 . 0 "[ . 1 . 2]"
1 62 ARG 0.000 0.000 . 0 "[ . 1 . 2]"
1 63 PHE 0.172 0.111 8 0 "[ . 1 . 2]"
1 64 GLN 0.555 0.240 1 0 "[ . 1 . 2]"
1 65 LYS 1.691 0.479 5 0 "[ . 1 . 2]"
1 67 HIS 1.187 0.166 17 0 "[ . 1 . 2]"
1 68 SER 3.929 0.819 16 5 "[ . - * .+* *2]"
1 69 PRO 7.124 0.966 19 6 "[ . - * *.** +2]"
1 70 ILE 3.460 0.966 19 4 "[ . 1 * *. - +2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 2 PRO HA 1 3 LEU H . . 3.020 2.451 2.385 2.599 . 0 0 "[ . 1 . 2]" 1
2 1 2 PRO HA 1 3 LEU QB . . 4.540 4.007 3.928 4.097 . 0 0 "[ . 1 . 2]" 1
3 1 2 PRO HA 1 4 VAL H . . 4.750 3.811 3.706 3.984 . 0 0 "[ . 1 . 2]" 1
4 1 2 PRO HG2 1 3 LEU H . . 4.830 4.694 4.392 4.829 . 0 0 "[ . 1 . 2]" 1
5 1 2 PRO HG2 1 4 VAL H . . 4.200 3.605 3.229 4.147 . 0 0 "[ . 1 . 2]" 1
6 1 3 LEU H 1 3 LEU QB . . 3.290 2.128 2.027 2.273 . 0 0 "[ . 1 . 2]" 1
7 1 3 LEU H 1 3 LEU MD1 . . 5.090 3.800 3.399 4.019 . 0 0 "[ . 1 . 2]" 1
8 1 3 LEU H 1 3 LEU HG . . 4.060 4.031 3.916 4.062 0.002 14 0 "[ . 1 . 2]" 1
9 1 3 LEU H 1 4 VAL H . . 3.530 2.335 2.019 2.544 . 0 0 "[ . 1 . 2]" 1
10 1 3 LEU HA 1 3 LEU MD1 . . 3.620 3.542 3.265 3.640 0.020 16 0 "[ . 1 . 2]" 1
11 1 3 LEU HA 1 3 LEU MD2 . . 3.640 2.851 2.623 3.244 . 0 0 "[ . 1 . 2]" 1
12 1 3 LEU HA 1 4 VAL H . . 3.280 3.333 3.325 3.363 0.083 19 0 "[ . 1 . 2]" 1
13 1 3 LEU QB 1 4 VAL H . . 3.830 3.458 3.411 3.470 . 0 0 "[ . 1 . 2]" 1
14 1 3 LEU QB 1 4 VAL QG . . 3.970 3.254 3.134 3.483 . 0 0 "[ . 1 . 2]" 1
15 1 4 VAL H 1 4 VAL HB . . 3.460 3.487 3.420 3.548 0.088 6 0 "[ . 1 . 2]" 1
16 1 4 VAL H 1 4 VAL QG . . 3.330 1.917 1.792 2.332 . 0 0 "[ . 1 . 2]" 1
17 1 4 VAL HA 1 4 VAL QG . . 3.340 2.208 1.948 2.487 . 0 0 "[ . 1 . 2]" 1
18 1 4 VAL HA 1 5 PRO HD2 . . 2.910 2.687 2.446 2.814 . 0 0 "[ . 1 . 2]" 1
19 1 4 VAL HA 1 5 PRO HD3 . . 3.060 1.991 1.914 2.054 . 0 0 "[ . 1 . 2]" 1
20 1 4 VAL HA 1 5 PRO HG2 . . 4.350 4.622 4.454 4.716 0.366 10 0 "[ . 1 . 2]" 1
21 1 4 VAL HB 1 5 PRO HD2 . . 3.960 2.566 2.002 3.624 . 0 0 "[ . 1 . 2]" 1
22 1 4 VAL HB 1 5 PRO HD3 . . 3.860 3.415 2.921 3.966 0.106 15 0 "[ . 1 . 2]" 1
23 1 4 VAL QG 1 5 PRO HD2 . . 4.720 2.487 1.788 3.050 . 0 0 "[ . 1 . 2]" 1
24 1 4 VAL QG 1 5 PRO HD3 . . 3.980 3.011 2.746 3.490 . 0 0 "[ . 1 . 2]" 1
25 1 5 PRO HA 1 6 ARG H . . 2.890 2.389 2.150 2.720 . 0 0 "[ . 1 . 2]" 1
26 1 6 ARG H 1 6 ARG HB2 . . 3.740 2.542 2.060 3.611 . 0 0 "[ . 1 . 2]" 1
27 1 6 ARG H 1 6 ARG HB3 . . 3.550 3.547 3.211 3.828 0.278 17 0 "[ . 1 . 2]" 1
28 1 6 ARG H 1 6 ARG HG3 . . 4.020 4.070 3.354 4.801 0.781 9 5 "[ . +- * * *2]" 1
29 1 6 ARG HA 1 6 ARG HD2 . . 4.230 3.669 2.516 4.582 0.352 20 0 "[ . 1 . 2]" 1
30 1 6 ARG HA 1 6 ARG HG3 . . 3.140 3.000 2.003 3.902 0.762 17 2 "[ - . 1 . + 2]" 1
31 1 6 ARG HA 1 7 GLY H . . 3.630 2.470 2.230 3.631 0.001 2 0 "[ . 1 . 2]" 1
32 1 6 ARG HB2 1 7 GLY H . . 4.310 4.183 2.727 4.735 0.425 20 0 "[ . 1 . 2]" 1
33 1 6 ARG HB3 1 6 ARG HG3 . . 2.850 2.807 2.586 2.993 0.143 20 0 "[ . 1 . 2]" 1
34 1 6 ARG HB3 1 7 GLY H . . 4.760 3.271 2.056 4.329 . 0 0 "[ . 1 . 2]" 1
35 1 7 GLY H 1 8 SER H . . 4.610 3.922 2.748 4.656 0.046 9 0 "[ . 1 . 2]" 1
36 1 8 SER HA 1 11 LEU HB3 . . 4.570 3.072 2.231 4.490 . 0 0 "[ . 1 . 2]" 1
37 1 8 SER HA 1 11 LEU MD1 . . 4.580 4.398 3.926 4.583 0.003 18 0 "[ . 1 . 2]" 1
38 1 8 SER HA 1 11 LEU HG . . 4.700 3.473 2.814 4.703 0.003 17 0 "[ . 1 . 2]" 1
39 1 9 MET H 1 9 MET HB2 . . 3.610 3.055 2.169 3.399 . 0 0 "[ . 1 . 2]" 1
40 1 9 MET H 1 9 MET HB3 . . 3.830 3.195 2.616 3.847 0.017 17 0 "[ . 1 . 2]" 1
41 1 9 MET H 1 9 MET QG . . 4.280 4.020 3.796 4.157 . 0 0 "[ . 1 . 2]" 1
42 1 9 MET H 1 10 ALA H . . 3.860 2.817 1.894 3.919 0.059 18 0 "[ . 1 . 2]" 1
43 1 9 MET H 1 10 ALA MB . . 5.500 4.387 3.615 5.072 . 0 0 "[ . 1 . 2]" 1
44 1 9 MET HA 1 9 MET QG . . 3.730 2.354 2.172 2.630 . 0 0 "[ . 1 . 2]" 1
45 1 9 MET HA 1 10 ALA HA . . 4.740 4.662 4.395 4.696 . 0 0 "[ . 1 . 2]" 1
46 1 9 MET HA 1 12 ILE H . . 3.910 3.866 3.603 3.921 0.011 16 0 "[ . 1 . 2]" 1
47 1 9 MET HA 1 12 ILE HB . . 3.510 3.652 3.414 3.971 0.461 18 0 "[ . 1 . 2]" 1
48 1 9 MET HA 1 12 ILE MD . . 3.650 2.136 1.922 2.396 . 0 0 "[ . 1 . 2]" 1
49 1 9 MET HA 1 13 VAL H . . 4.680 4.648 4.459 4.689 0.009 8 0 "[ . 1 . 2]" 1
50 1 9 MET HB2 1 10 ALA H . . 4.200 3.809 3.460 4.433 0.233 18 0 "[ . 1 . 2]" 1
51 1 9 MET HB3 1 10 ALA H . . 4.010 2.662 2.268 4.114 0.104 18 0 "[ . 1 . 2]" 1
52 1 9 MET HB3 1 10 ALA MB . . 4.450 3.607 3.376 3.932 . 0 0 "[ . 1 . 2]" 1
53 1 9 MET ME 1 9 MET QG . . 3.130 2.145 1.943 2.436 . 0 0 "[ . 1 . 2]" 1
54 1 9 MET QG 1 10 ALA H . . 4.610 3.821 2.619 4.372 . 0 0 "[ . 1 . 2]" 1
55 1 9 MET QG 1 12 ILE MD . . 4.180 3.773 3.335 4.008 . 0 0 "[ . 1 . 2]" 1
56 1 9 MET QG 1 13 VAL QG . . 3.660 3.285 2.932 3.554 . 0 0 "[ . 1 . 2]" 1
57 1 10 ALA H 1 10 ALA MB . . 2.960 2.085 1.981 3.031 0.071 18 0 "[ . 1 . 2]" 1
58 1 10 ALA H 1 11 LEU H . . 3.580 2.357 2.259 2.788 . 0 0 "[ . 1 . 2]" 1
59 1 10 ALA H 1 11 LEU HA . . 4.890 4.905 4.848 5.047 0.157 18 0 "[ . 1 . 2]" 1
60 1 10 ALA H 1 12 ILE H . . 4.680 4.004 3.066 4.341 . 0 0 "[ . 1 . 2]" 1
61 1 10 ALA HA 1 12 ILE MD . . 4.670 4.634 4.490 4.707 0.037 18 0 "[ . 1 . 2]" 1
62 1 10 ALA HA 1 13 VAL H . . 4.210 3.065 2.821 3.606 . 0 0 "[ . 1 . 2]" 1
63 1 10 ALA HA 1 13 VAL HB . . 3.630 2.385 2.071 3.062 . 0 0 "[ . 1 . 2]" 1
64 1 10 ALA HA 1 13 VAL QG . . 3.890 2.480 1.979 2.930 . 0 0 "[ . 1 . 2]" 1
65 1 10 ALA HA 1 14 LEU QD . . 3.860 3.549 2.990 3.800 . 0 0 "[ . 1 . 2]" 1
66 1 10 ALA MB 1 11 LEU H . . 3.630 2.839 2.579 3.079 . 0 0 "[ . 1 . 2]" 1
67 1 10 ALA MB 1 11 LEU HA . . 4.720 3.789 3.706 3.932 . 0 0 "[ . 1 . 2]" 1
68 1 10 ALA MB 1 13 VAL H . . 4.910 4.390 4.130 4.835 . 0 0 "[ . 1 . 2]" 1
69 1 10 ALA MB 1 13 VAL HB . . 4.640 3.649 3.328 4.540 . 0 0 "[ . 1 . 2]" 1
70 1 10 ALA MB 1 13 VAL QG . . 4.310 3.565 3.267 3.900 . 0 0 "[ . 1 . 2]" 1
71 1 10 ALA MB 1 14 LEU QD . . 3.710 2.358 1.945 3.052 . 0 0 "[ . 1 . 2]" 1
72 1 11 LEU H 1 11 LEU HB2 . . 3.390 3.412 3.363 3.576 0.186 18 0 "[ . 1 . 2]" 1
73 1 11 LEU H 1 11 LEU HB3 . . 3.640 2.103 2.051 2.366 . 0 0 "[ . 1 . 2]" 1
74 1 11 LEU H 1 11 LEU MD2 . . 4.070 3.321 2.044 3.640 . 0 0 "[ . 1 . 2]" 1
75 1 11 LEU H 1 11 LEU HG . . 3.720 3.078 2.805 3.508 . 0 0 "[ . 1 . 2]" 1
76 1 11 LEU HA 1 11 LEU MD1 . . 4.060 3.311 3.094 4.006 . 0 0 "[ . 1 . 2]" 1
77 1 11 LEU HA 1 11 LEU MD2 . . 4.560 4.097 3.717 4.133 . 0 0 "[ . 1 . 2]" 1
78 1 11 LEU HA 1 11 LEU HG . . 4.030 3.674 3.596 3.767 . 0 0 "[ . 1 . 2]" 1
79 1 11 LEU HA 1 13 VAL H . . 4.610 4.561 4.231 4.617 0.007 17 0 "[ . 1 . 2]" 1
80 1 11 LEU HA 1 14 LEU H . . 3.800 3.720 3.609 3.801 0.001 12 0 "[ . 1 . 2]" 1
81 1 11 LEU HA 1 14 LEU QD . . 3.280 3.078 2.736 3.252 . 0 0 "[ . 1 . 2]" 1
82 1 11 LEU HA 1 15 GLY H . . 4.400 4.082 3.476 4.404 0.004 20 0 "[ . 1 . 2]" 1
83 1 11 LEU HB2 1 11 LEU MD2 . . 3.020 2.667 2.472 3.153 0.133 17 0 "[ . 1 . 2]" 1
84 1 11 LEU HB2 1 12 ILE H . . 4.290 4.148 4.045 4.316 0.026 18 0 "[ . 1 . 2]" 1
85 1 11 LEU HB2 1 12 ILE HA . . 5.100 5.099 4.913 5.151 0.051 18 0 "[ . 1 . 2]" 1
86 1 11 LEU HB3 1 11 LEU MD2 . . 3.070 2.066 1.960 2.275 . 0 0 "[ . 1 . 2]" 1
87 1 11 LEU HB3 1 12 ILE H . . 3.830 3.657 3.513 3.846 0.016 17 0 "[ . 1 . 2]" 1
88 1 11 LEU MD2 1 12 ILE H . . 4.770 3.575 2.261 3.777 . 0 0 "[ . 1 . 2]" 1
89 1 11 LEU HG 1 12 ILE H . . 4.300 2.079 1.949 2.391 . 0 0 "[ . 1 . 2]" 1
90 1 11 LEU HG 1 12 ILE HA . . 3.860 3.441 3.140 3.580 . 0 0 "[ . 1 . 2]" 1
91 1 11 LEU HG 1 12 ILE MD . . 3.030 2.195 1.949 3.033 0.003 17 0 "[ . 1 . 2]" 1
92 1 11 LEU HG 1 12 ILE HG13 . . 2.940 2.230 1.991 2.489 . 0 0 "[ . 1 . 2]" 1
93 1 12 ILE H 1 12 ILE HB . . 3.420 2.451 2.384 2.600 . 0 0 "[ . 1 . 2]" 1
94 1 12 ILE H 1 12 ILE MD . . 4.020 2.019 1.878 2.327 . 0 0 "[ . 1 . 2]" 1
95 1 12 ILE H 1 12 ILE HG13 . . 4.310 2.604 2.347 2.840 . 0 0 "[ . 1 . 2]" 1
96 1 12 ILE H 1 12 ILE MG . . 3.940 3.716 3.700 3.730 . 0 0 "[ . 1 . 2]" 1
97 1 12 ILE H 1 13 VAL H . . 3.820 2.589 2.390 2.829 . 0 0 "[ . 1 . 2]" 1
98 1 12 ILE H 1 13 VAL QG . . 4.620 3.954 3.563 4.248 . 0 0 "[ . 1 . 2]" 1
99 1 12 ILE HA 1 12 ILE MD . . 4.130 3.598 3.490 3.741 . 0 0 "[ . 1 . 2]" 1
100 1 12 ILE HA 1 12 ILE HG13 . . 4.070 2.404 2.303 2.538 . 0 0 "[ . 1 . 2]" 1
101 1 12 ILE HA 1 12 ILE MG . . 3.030 2.391 2.203 2.497 . 0 0 "[ . 1 . 2]" 1
102 1 12 ILE HA 1 15 GLY H . . 4.800 3.686 3.435 3.941 . 0 0 "[ . 1 . 2]" 1
103 1 12 ILE HA 1 16 GLY H . . 5.000 4.298 3.942 4.959 . 0 0 "[ . 1 . 2]" 1
104 1 12 ILE HB 1 12 ILE MD . . 2.920 2.006 1.963 2.074 . 0 0 "[ . 1 . 2]" 1
105 1 12 ILE HB 1 13 VAL H . . 3.760 2.663 2.522 2.983 . 0 0 "[ . 1 . 2]" 1
106 1 12 ILE HB 1 13 VAL QG . . 3.310 3.223 2.998 3.290 . 0 0 "[ . 1 . 2]" 1
107 1 12 ILE MD 1 13 VAL H . . 5.230 3.533 3.154 3.691 . 0 0 "[ . 1 . 2]" 1
108 1 12 ILE MG 1 13 VAL H . . 3.920 3.558 3.333 3.828 . 0 0 "[ . 1 . 2]" 1
109 1 12 ILE MG 1 13 VAL HA . . 4.030 3.643 3.467 3.911 . 0 0 "[ . 1 . 2]" 1
110 1 13 VAL H 1 13 VAL HB . . 3.330 2.390 2.264 2.645 . 0 0 "[ . 1 . 2]" 1
111 1 13 VAL H 1 13 VAL QG . . 3.270 2.121 1.910 2.300 . 0 0 "[ . 1 . 2]" 1
112 1 13 VAL H 1 14 LEU H . . 3.880 2.853 2.712 3.072 . 0 0 "[ . 1 . 2]" 1
113 1 13 VAL HA 1 13 VAL QG . . 2.970 2.122 2.059 2.183 . 0 0 "[ . 1 . 2]" 1
114 1 13 VAL HA 1 16 GLY H . . 3.800 3.297 3.130 3.684 . 0 0 "[ . 1 . 2]" 1
115 1 13 VAL HA 1 17 VAL H . . 4.400 4.358 3.939 4.406 0.006 6 0 "[ . 1 . 2]" 1
116 1 13 VAL HB 1 14 LEU H . . 3.620 2.373 2.248 2.502 . 0 0 "[ . 1 . 2]" 1
117 1 13 VAL QG 1 14 LEU H . . 3.940 3.017 2.882 3.172 . 0 0 "[ . 1 . 2]" 1
118 1 14 LEU H 1 14 LEU HB2 . . 3.260 2.277 2.236 2.306 . 0 0 "[ . 1 . 2]" 1
119 1 14 LEU H 1 14 LEU HB3 . . 3.560 3.506 3.488 3.517 . 0 0 "[ . 1 . 2]" 1
120 1 14 LEU H 1 14 LEU QD . . 3.940 2.447 1.868 3.168 . 0 0 "[ . 1 . 2]" 1
121 1 14 LEU H 1 14 LEU HG . . 3.650 3.166 2.510 3.664 0.014 8 0 "[ . 1 . 2]" 1
122 1 14 LEU H 1 15 GLY H . . 3.780 3.044 2.769 3.146 . 0 0 "[ . 1 . 2]" 1
123 1 14 LEU HA 1 14 LEU QD . . 3.210 2.123 1.958 2.461 . 0 0 "[ . 1 . 2]" 1
124 1 14 LEU HA 1 14 LEU HG . . 3.970 3.194 2.481 3.697 . 0 0 "[ . 1 . 2]" 1
125 1 14 LEU HA 1 17 VAL H . . 3.670 3.253 3.160 3.515 . 0 0 "[ . 1 . 2]" 1
126 1 14 LEU HA 1 17 VAL HA . . 5.160 5.151 5.112 5.174 0.014 6 0 "[ . 1 . 2]" 1
127 1 14 LEU HA 1 17 VAL HB . . 3.440 2.301 2.199 2.350 . 0 0 "[ . 1 . 2]" 1
128 1 14 LEU HA 1 17 VAL MG2 . . 3.850 3.049 2.850 3.531 . 0 0 "[ . 1 . 2]" 1
129 1 14 LEU HB2 1 14 LEU QD . . 3.160 2.323 2.119 2.481 . 0 0 "[ . 1 . 2]" 1
130 1 14 LEU HB2 1 15 GLY H . . 3.840 2.572 2.462 2.873 . 0 0 "[ . 1 . 2]" 1
131 1 14 LEU HB2 1 15 GLY HA3 . . 4.630 4.699 4.628 4.876 0.246 14 0 "[ . 1 . 2]" 1
132 1 14 LEU HB3 1 15 GLY H . . 3.960 3.152 2.996 3.597 . 0 0 "[ . 1 . 2]" 1
133 1 14 LEU HB3 1 18 ALA H . . 4.520 4.492 4.420 4.523 0.003 17 0 "[ . 1 . 2]" 1
134 1 14 LEU HB3 1 18 ALA MB . . 5.160 4.217 3.930 4.322 . 0 0 "[ . 1 . 2]" 1
135 1 14 LEU QD 1 15 GLY H . . 4.840 3.949 3.847 4.222 . 0 0 "[ . 1 . 2]" 1
136 1 14 LEU QD 1 18 ALA H . . 4.410 4.255 4.037 4.332 . 0 0 "[ . 1 . 2]" 1
137 1 14 LEU HG 1 15 GLY H . . 4.820 4.770 4.694 4.826 0.006 17 0 "[ . 1 . 2]" 1
138 1 15 GLY H 1 16 GLY H . . 3.600 2.836 2.604 3.174 . 0 0 "[ . 1 . 2]" 1
139 1 15 GLY HA2 1 18 ALA MB . . 4.010 2.505 2.378 2.750 . 0 0 "[ . 1 . 2]" 1
140 1 15 GLY HA3 1 18 ALA MB . . 3.890 3.981 3.884 4.030 0.140 6 0 "[ . 1 . 2]" 1
141 1 16 GLY H 1 17 VAL HB . . 4.710 4.495 4.297 4.693 . 0 0 "[ . 1 . 2]" 1
142 1 16 GLY HA2 1 17 VAL MG2 . . 4.660 4.724 4.656 5.283 0.623 14 2 "[ . 1 +. - 2]" 1
143 1 16 GLY HA2 1 19 GLY H . . 4.400 4.233 3.389 4.409 0.009 5 0 "[ . 1 . 2]" 1
144 1 17 VAL H 1 17 VAL HB . . 3.000 2.325 2.238 2.340 . 0 0 "[ . 1 . 2]" 1
145 1 17 VAL H 1 17 VAL MG2 . . 3.080 2.592 2.300 2.822 . 0 0 "[ . 1 . 2]" 1
146 1 17 VAL HA 1 17 VAL MG1 . . 3.260 2.481 2.409 2.630 . 0 0 "[ . 1 . 2]" 1
147 1 17 VAL HA 1 17 VAL MG2 . . 2.990 2.345 2.166 2.397 . 0 0 "[ . 1 . 2]" 1
148 1 17 VAL HA 1 18 ALA HA . . 5.080 4.937 4.865 4.961 . 0 0 "[ . 1 . 2]" 1
149 1 17 VAL HA 1 20 LEU H . . 3.740 3.219 2.843 3.381 . 0 0 "[ . 1 . 2]" 1
150 1 17 VAL HA 1 20 LEU HB2 . . 3.500 2.434 2.281 2.745 . 0 0 "[ . 1 . 2]" 1
151 1 17 VAL HA 1 20 LEU HB3 . . 3.490 3.453 2.667 4.330 0.840 6 3 "[ .+ 1 *. - 2]" 1
152 1 17 VAL HA 1 20 LEU MD2 . . 4.220 4.028 3.298 5.082 0.862 16 7 "[ - * 1* *+ **2]" 1
153 1 17 VAL HA 1 20 LEU HG . . 4.200 4.125 3.081 4.229 0.029 6 0 "[ . 1 . 2]" 1
154 1 17 VAL HA 1 21 LEU H . . 4.520 3.768 3.585 3.995 . 0 0 "[ . 1 . 2]" 1
155 1 17 VAL HB 1 18 ALA MB . . 4.300 4.274 4.204 4.381 0.081 6 0 "[ . 1 . 2]" 1
156 1 17 VAL HB 1 21 LEU MD1 . . 4.400 3.783 3.490 4.185 . 0 0 "[ . 1 . 2]" 1
157 1 17 VAL HB 1 21 LEU HG . . 4.390 4.393 4.383 4.402 0.012 14 0 "[ . 1 . 2]" 1
158 1 17 VAL MG1 1 18 ALA H . . 3.390 3.371 3.158 3.400 0.010 5 0 "[ . 1 . 2]" 1
159 1 17 VAL MG1 1 18 ALA HA . . 4.070 3.421 3.125 3.566 . 0 0 "[ . 1 . 2]" 1
160 1 17 VAL MG1 1 20 LEU HB3 . . 4.840 3.648 3.044 4.627 . 0 0 "[ . 1 . 2]" 1
161 1 17 VAL MG1 1 21 LEU H . . 4.460 3.253 2.953 3.464 . 0 0 "[ . 1 . 2]" 1
162 1 17 VAL MG1 1 21 LEU MD2 . . 3.060 2.932 2.723 3.028 . 0 0 "[ . 1 . 2]" 1
163 1 17 VAL MG1 1 21 LEU HG . . 3.870 1.926 1.820 2.022 . 0 0 "[ . 1 . 2]" 1
164 1 17 VAL MG2 1 20 LEU HB2 . . 4.380 4.105 3.640 4.394 0.014 5 0 "[ . 1 . 2]" 1
165 1 17 VAL MG2 1 20 LEU HB3 . . 4.750 4.611 4.145 4.778 0.028 14 0 "[ . 1 . 2]" 1
166 1 18 ALA H 1 18 ALA MB . . 2.990 2.019 1.938 2.077 . 0 0 "[ . 1 . 2]" 1
167 1 18 ALA H 1 19 GLY H . . 3.200 3.105 2.765 3.200 0.000 4 0 "[ . 1 . 2]" 1
168 1 18 ALA H 1 21 LEU MD1 . . 4.670 4.020 3.648 4.300 . 0 0 "[ . 1 . 2]" 1
169 1 18 ALA HA 1 21 LEU H . . 3.800 3.573 3.441 3.693 . 0 0 "[ . 1 . 2]" 1
170 1 18 ALA HA 1 21 LEU HB2 . . 3.870 2.568 2.516 2.605 . 0 0 "[ . 1 . 2]" 1
171 1 18 ALA HA 1 21 LEU HB3 . . 4.090 4.098 4.085 4.122 0.032 5 0 "[ . 1 . 2]" 1
172 1 18 ALA HA 1 21 LEU MD1 . . 3.730 2.552 2.176 2.717 . 0 0 "[ . 1 . 2]" 1
173 1 18 ALA MB 1 19 GLY H . . 3.370 2.455 2.331 2.840 . 0 0 "[ . 1 . 2]" 1
174 1 18 ALA MB 1 21 LEU MD1 . . 3.920 3.838 3.559 3.926 0.006 14 0 "[ . 1 . 2]" 1
175 1 18 ALA MB 1 22 LEU H . . 4.950 4.776 4.513 4.955 0.005 14 0 "[ . 1 . 2]" 1
176 1 18 ALA MB 1 22 LEU QD . . 4.410 4.232 4.157 4.337 . 0 0 "[ . 1 . 2]" 1
177 1 19 GLY H 1 20 LEU H . . 3.980 2.889 2.650 3.003 . 0 0 "[ . 1 . 2]" 1
178 1 19 GLY QA 1 22 LEU H . . 4.410 3.250 3.165 3.313 . 0 0 "[ . 1 . 2]" 1
179 1 19 GLY QA 1 22 LEU QD . . 4.800 3.181 3.028 3.657 . 0 0 "[ . 1 . 2]" 1
180 1 20 LEU H 1 20 LEU HB2 . . 3.140 2.078 2.003 2.349 . 0 0 "[ . 1 . 2]" 1
181 1 20 LEU H 1 20 LEU MD1 . . 3.820 3.888 2.168 4.322 0.502 5 4 "[ * + 1 * - 2]" 1
182 1 20 LEU H 1 20 LEU MD2 . . 4.480 2.961 1.919 4.085 . 0 0 "[ . 1 . 2]" 1
183 1 20 LEU H 1 20 LEU HG . . 4.380 3.948 2.646 4.375 . 0 0 "[ . 1 . 2]" 1
184 1 20 LEU H 1 21 LEU H . . 3.600 2.781 2.700 2.890 . 0 0 "[ . 1 . 2]" 1
185 1 20 LEU HA 1 20 LEU MD1 . . 3.550 2.556 1.901 3.723 0.173 16 0 "[ . 1 . 2]" 1
186 1 20 LEU HA 1 20 LEU MD2 . . 3.470 2.401 1.876 3.134 . 0 0 "[ . 1 . 2]" 1
187 1 20 LEU HA 1 23 PHE H . . 3.880 3.489 3.362 3.735 . 0 0 "[ . 1 . 2]" 1
188 1 20 LEU HA 1 24 ILE H . . 4.710 4.182 3.900 4.371 . 0 0 "[ . 1 . 2]" 1
189 1 20 LEU HB2 1 20 LEU MD1 . . 3.110 3.012 2.162 3.202 0.092 17 0 "[ . 1 . 2]" 1
190 1 20 LEU HB2 1 20 LEU MD2 . . 3.260 2.473 2.106 3.192 . 0 0 "[ . 1 . 2]" 1
191 1 20 LEU HB2 1 21 LEU H . . 3.610 3.110 2.700 3.643 0.033 5 0 "[ . 1 . 2]" 1
192 1 20 LEU HB3 1 20 LEU MD1 . . 3.390 2.395 2.148 3.019 . 0 0 "[ . 1 . 2]" 1
193 1 20 LEU HB3 1 20 LEU MD2 . . 3.220 3.015 2.098 3.212 . 0 0 "[ . 1 . 2]" 1
194 1 20 LEU HB3 1 21 LEU H . . 3.590 3.074 2.700 3.620 0.030 14 0 "[ . 1 . 2]" 1
195 1 21 LEU H 1 21 LEU HB2 . . 3.370 2.244 2.191 2.292 . 0 0 "[ . 1 . 2]" 1
196 1 21 LEU H 1 21 LEU HB3 . . 3.580 3.490 3.470 3.510 . 0 0 "[ . 1 . 2]" 1
197 1 21 LEU H 1 21 LEU MD1 . . 3.950 3.614 3.420 3.764 . 0 0 "[ . 1 . 2]" 1
198 1 21 LEU H 1 21 LEU MD2 . . 3.730 3.608 3.349 3.726 . 0 0 "[ . 1 . 2]" 1
199 1 21 LEU H 1 21 LEU HG . . 3.540 2.565 2.460 2.678 . 0 0 "[ . 1 . 2]" 1
200 1 21 LEU H 1 24 ILE H . . 4.680 4.681 4.643 4.692 0.012 15 0 "[ . 1 . 2]" 1
201 1 21 LEU H 1 24 ILE MD . . 4.960 3.504 3.271 3.764 . 0 0 "[ . 1 . 2]" 1
202 1 21 LEU HA 1 21 LEU MD2 . . 3.020 1.975 1.919 2.059 . 0 0 "[ . 1 . 2]" 1
203 1 21 LEU HA 1 24 ILE H . . 4.040 3.262 3.137 3.586 . 0 0 "[ . 1 . 2]" 1
204 1 21 LEU HA 1 24 ILE HB . . 3.770 2.091 2.017 2.213 . 0 0 "[ . 1 . 2]" 1
205 1 21 LEU HA 1 24 ILE MD . . 3.860 2.273 1.980 2.782 . 0 0 "[ . 1 . 2]" 1
206 1 21 LEU HA 1 24 ILE MG . . 4.540 3.237 3.096 3.382 . 0 0 "[ . 1 . 2]" 1
207 1 21 LEU HB2 1 21 LEU MD2 . . 3.370 3.215 3.206 3.221 . 0 0 "[ . 1 . 2]" 1
208 1 21 LEU HB2 1 21 LEU HG . . 2.590 2.481 2.410 2.546 . 0 0 "[ . 1 . 2]" 1
209 1 21 LEU HB2 1 22 LEU H . . 3.860 2.943 2.822 3.048 . 0 0 "[ . 1 . 2]" 1
210 1 21 LEU HB3 1 21 LEU MD1 . . 3.250 2.446 2.328 2.527 . 0 0 "[ . 1 . 2]" 1
211 1 21 LEU HB3 1 21 LEU MD2 . . 3.340 2.377 2.350 2.459 . 0 0 "[ . 1 . 2]" 1
212 1 21 LEU HB3 1 22 LEU H . . 3.900 3.660 3.537 3.802 . 0 0 "[ . 1 . 2]" 1
213 1 21 LEU MD2 1 24 ILE HB . . 4.430 3.036 2.837 3.348 . 0 0 "[ . 1 . 2]" 1
214 1 22 LEU H 1 22 LEU QB . . 3.100 2.056 2.030 2.092 . 0 0 "[ . 1 . 2]" 1
215 1 22 LEU H 1 22 LEU QD . . 3.630 3.410 3.346 3.447 . 0 0 "[ . 1 . 2]" 1
216 1 22 LEU H 1 23 PHE H . . 3.600 2.919 2.798 3.075 . 0 0 "[ . 1 . 2]" 1
217 1 22 LEU HA 1 22 LEU QD . . 3.200 2.423 1.912 2.585 . 0 0 "[ . 1 . 2]" 1
218 1 22 LEU HA 1 25 GLY H . . 4.160 3.576 3.432 3.839 . 0 0 "[ . 1 . 2]" 1
219 1 22 LEU HA 1 26 LEU H . . 4.440 4.053 3.920 4.247 . 0 0 "[ . 1 . 2]" 1
220 1 22 LEU QB 1 23 PHE H . . 3.480 2.302 1.952 2.436 . 0 0 "[ . 1 . 2]" 1
221 1 22 LEU QD 1 23 PHE HE1 . . 5.280 5.028 3.842 5.338 0.058 3 0 "[ . 1 . 2]" 1
222 1 22 LEU HG 1 23 PHE H . . 4.540 4.279 4.056 4.440 . 0 0 "[ . 1 . 2]" 1
223 1 22 LEU HG 1 26 LEU MD2 . . 3.930 3.905 3.783 3.934 0.004 17 0 "[ . 1 . 2]" 1
224 1 23 PHE H 1 23 PHE QB . . 2.930 2.293 2.165 2.511 . 0 0 "[ . 1 . 2]" 1
225 1 23 PHE H 1 24 ILE H . . 4.250 2.729 2.687 2.877 . 0 0 "[ . 1 . 2]" 1
226 1 23 PHE HA 1 23 PHE HD1 . . 4.190 2.945 2.526 3.998 . 0 0 "[ . 1 . 2]" 1
227 1 23 PHE HA 1 26 LEU H . . 4.520 3.203 3.061 3.545 . 0 0 "[ . 1 . 2]" 1
228 1 23 PHE HA 1 26 LEU QB . . 4.040 2.707 2.477 2.787 . 0 0 "[ . 1 . 2]" 1
229 1 23 PHE HA 1 26 LEU MD2 . . 4.190 1.991 1.906 2.492 . 0 0 "[ . 1 . 2]" 1
230 1 23 PHE HA 1 27 GLY H . . 4.600 3.600 3.346 3.863 . 0 0 "[ . 1 . 2]" 1
231 1 23 PHE QB 1 24 ILE HB . . 4.510 4.312 4.244 4.362 . 0 0 "[ . 1 . 2]" 1
232 1 23 PHE QB 1 24 ILE MD . . 3.980 3.786 3.568 3.855 . 0 0 "[ . 1 . 2]" 1
233 1 23 PHE QB 1 26 LEU MD2 . . 5.000 3.273 3.072 4.054 . 0 0 "[ . 1 . 2]" 1
234 1 23 PHE QB 1 27 GLY H . . 4.720 4.322 4.103 4.449 . 0 0 "[ . 1 . 2]" 1
235 1 24 ILE H 1 24 ILE HB . . 3.340 2.152 2.136 2.171 . 0 0 "[ . 1 . 2]" 1
236 1 24 ILE H 1 24 ILE MD . . 3.930 2.909 2.720 3.074 . 0 0 "[ . 1 . 2]" 1
237 1 24 ILE H 1 24 ILE HG13 . . 4.070 2.825 2.773 2.888 . 0 0 "[ . 1 . 2]" 1
238 1 24 ILE H 1 24 ILE MG . . 3.880 3.595 3.577 3.613 . 0 0 "[ . 1 . 2]" 1
239 1 24 ILE H 1 25 GLY H . . 4.020 2.715 2.615 2.899 . 0 0 "[ . 1 . 2]" 1
240 1 24 ILE HA 1 24 ILE MD . . 3.680 3.684 3.629 3.695 0.015 5 0 "[ . 1 . 2]" 1
241 1 24 ILE HA 1 24 ILE HG13 . . 4.220 2.255 2.195 2.272 . 0 0 "[ . 1 . 2]" 1
242 1 24 ILE HA 1 24 ILE MG . . 3.220 2.635 2.600 2.670 . 0 0 "[ . 1 . 2]" 1
243 1 24 ILE HA 1 28 ILE H . . 4.600 4.420 4.077 4.621 0.021 17 0 "[ . 1 . 2]" 1
244 1 24 ILE HB 1 24 ILE MD . . 2.960 2.090 1.959 2.181 . 0 0 "[ . 1 . 2]" 1
245 1 24 ILE HB 1 25 GLY H . . 3.810 2.801 2.491 2.990 . 0 0 "[ . 1 . 2]" 1
246 1 24 ILE HB 1 25 GLY HA2 . . 4.840 4.770 4.698 4.824 . 0 0 "[ . 1 . 2]" 1
247 1 24 ILE MD 1 25 GLY H . . 5.030 4.407 4.137 4.585 . 0 0 "[ . 1 . 2]" 1
248 1 24 ILE HG12 1 25 GLY H . . 5.000 5.248 4.971 5.398 0.398 12 0 "[ . 1 . 2]" 1
249 1 24 ILE MG 1 25 GLY H . . 4.050 2.943 2.439 3.164 . 0 0 "[ . 1 . 2]" 1
250 1 24 ILE MG 1 25 GLY HA3 . . 4.920 3.846 3.512 3.985 . 0 0 "[ . 1 . 2]" 1
251 1 25 GLY H 1 26 LEU H . . 3.800 2.534 2.387 2.828 . 0 0 "[ . 1 . 2]" 1
252 1 25 GLY H 1 26 LEU QB . . 4.700 4.277 4.126 4.474 . 0 0 "[ . 1 . 2]" 1
253 1 25 GLY HA2 1 28 ILE H . . 4.000 3.579 3.478 3.777 . 0 0 "[ . 1 . 2]" 1
254 1 25 GLY HA2 1 28 ILE HB . . 3.800 3.042 2.913 3.189 . 0 0 "[ . 1 . 2]" 1
255 1 25 GLY HA2 1 29 PHE H . . 4.900 3.765 3.524 4.412 . 0 0 "[ . 1 . 2]" 1
256 1 25 GLY HA3 1 28 ILE HB . . 4.670 4.652 4.564 4.737 0.067 17 0 "[ . 1 . 2]" 1
257 1 25 GLY HA3 1 29 PHE QB . . 4.640 4.355 4.209 4.526 . 0 0 "[ . 1 . 2]" 1
258 1 26 LEU H 1 26 LEU QB . . 3.640 2.112 2.017 2.183 . 0 0 "[ . 1 . 2]" 1
259 1 26 LEU H 1 26 LEU MD1 . . 4.000 4.000 3.921 4.234 0.234 17 0 "[ . 1 . 2]" 1
260 1 26 LEU H 1 26 LEU MD2 . . 4.260 3.683 3.596 4.072 . 0 0 "[ . 1 . 2]" 1
261 1 26 LEU H 1 26 LEU HG . . 3.750 3.024 2.856 3.877 0.127 17 0 "[ . 1 . 2]" 1
262 1 26 LEU H 1 27 GLY H . . 4.020 2.499 2.340 2.665 . 0 0 "[ . 1 . 2]" 1
263 1 26 LEU HA 1 26 LEU MD1 . . 3.310 3.000 2.503 3.105 . 0 0 "[ . 1 . 2]" 1
264 1 26 LEU HA 1 26 LEU MD2 . . 4.250 4.113 3.999 4.127 . 0 0 "[ . 1 . 2]" 1
265 1 26 LEU HA 1 29 PHE H . . 4.020 3.505 2.663 3.810 . 0 0 "[ . 1 . 2]" 1
266 1 26 LEU HA 1 29 PHE QB . . 3.860 2.285 1.866 2.595 . 0 0 "[ . 1 . 2]" 1
267 1 26 LEU QB 1 26 LEU MD1 . . 3.240 2.224 2.184 2.357 . 0 0 "[ . 1 . 2]" 1
268 1 26 LEU QB 1 27 GLY H . . 4.070 3.351 2.815 3.440 . 0 0 "[ . 1 . 2]" 1
269 1 26 LEU QB 1 29 PHE QB . . 4.600 3.855 3.367 4.036 . 0 0 "[ . 1 . 2]" 1
270 1 26 LEU QB 1 30 PHE QE . . 4.710 3.024 2.201 4.034 . 0 0 "[ . 1 . 2]" 1
271 1 26 LEU MD1 1 27 GLY H . . 4.570 3.022 2.650 3.777 . 0 0 "[ . 1 . 2]" 1
272 1 26 LEU MD1 1 27 GLY HA2 . . 4.200 2.330 2.039 3.595 . 0 0 "[ . 1 . 2]" 1
273 1 26 LEU MD1 1 29 PHE QB . . 4.820 4.015 2.373 4.272 . 0 0 "[ . 1 . 2]" 1
274 1 26 LEU MD1 1 30 PHE HD1 . . 3.990 3.066 2.718 3.895 . 0 0 "[ . 1 . 2]" 1
275 1 26 LEU MD1 1 30 PHE HD2 . . 3.820 3.101 2.875 3.293 . 0 0 "[ . 1 . 2]" 1
276 1 26 LEU MD1 1 30 PHE HZ . . 4.810 3.129 2.472 3.944 . 0 0 "[ . 1 . 2]" 1
277 1 26 LEU MD2 1 30 PHE QE . . 4.480 3.844 3.133 4.015 . 0 0 "[ . 1 . 2]" 1
278 1 26 LEU HG 1 27 GLY HA2 . . 3.510 3.468 3.076 3.513 0.003 15 0 "[ . 1 . 2]" 1
279 1 28 ILE H 1 28 ILE HB . . 3.820 2.228 2.137 2.375 . 0 0 "[ . 1 . 2]" 1
280 1 28 ILE H 1 28 ILE MD . . 3.940 3.131 2.483 3.941 0.001 13 0 "[ . 1 . 2]" 1
281 1 28 ILE H 1 28 ILE HG12 . . 4.680 3.459 2.170 4.422 . 0 0 "[ . 1 . 2]" 1
282 1 28 ILE H 1 28 ILE HG13 . . 4.880 3.452 3.133 3.875 . 0 0 "[ . 1 . 2]" 1
283 1 28 ILE H 1 28 ILE MG . . 3.870 3.620 3.516 3.708 . 0 0 "[ . 1 . 2]" 1
284 1 28 ILE H 1 29 PHE H . . 4.000 2.564 2.024 2.764 . 0 0 "[ . 1 . 2]" 1
285 1 28 ILE HA 1 28 ILE MD . . 3.520 2.812 1.959 3.529 0.009 16 0 "[ . 1 . 2]" 1
286 1 28 ILE HB 1 28 ILE MD . . 3.380 2.576 2.014 3.214 . 0 0 "[ . 1 . 2]" 1
287 1 28 ILE HB 1 29 PHE H . . 3.990 2.550 2.334 3.167 . 0 0 "[ . 1 . 2]" 1
288 1 28 ILE HB 1 30 PHE H . . 5.410 5.107 4.901 5.401 . 0 0 "[ . 1 . 2]" 1
289 1 28 ILE MG 1 29 PHE H . . 4.420 2.866 2.465 3.513 . 0 0 "[ . 1 . 2]" 1
290 1 29 PHE H 1 29 PHE QB . . 3.830 2.066 1.933 2.124 . 0 0 "[ . 1 . 2]" 1
291 1 29 PHE H 1 29 PHE HD1 . . 4.850 4.337 3.734 4.544 . 0 0 "[ . 1 . 2]" 1
292 1 29 PHE H 1 30 PHE H . . 4.200 2.969 2.631 3.179 . 0 0 "[ . 1 . 2]" 1
293 1 29 PHE HA 1 32 VAL HB . . 3.990 3.057 2.304 4.097 0.107 16 0 "[ . 1 . 2]" 1
294 1 29 PHE HA 1 32 VAL MG2 . . 4.210 3.399 2.487 4.467 0.257 10 0 "[ . 1 . 2]" 1
295 1 29 PHE HD2 1 33 ARG QD . . 5.080 3.605 1.925 4.754 . 0 0 "[ . 1 . 2]" 1
296 1 29 PHE HE1 1 33 ARG QD . . 4.290 3.959 3.089 4.994 0.704 17 1 "[ . 1 . + 2]" 1
297 1 30 PHE H 1 30 PHE HB2 . . 3.890 2.136 2.049 2.354 . 0 0 "[ . 1 . 2]" 1
298 1 30 PHE H 1 31 SER H . . 3.910 2.901 2.395 3.900 . 0 0 "[ . 1 . 2]" 1
299 1 30 PHE HA 1 30 PHE HD1 . . 3.920 2.532 1.986 3.189 . 0 0 "[ . 1 . 2]" 1
300 1 30 PHE HA 1 33 ARG QG . . 4.750 3.301 1.929 4.610 . 0 0 "[ . 1 . 2]" 1
301 1 30 PHE HB2 1 31 SER H . . 4.660 2.908 2.487 4.571 . 0 0 "[ . 1 . 2]" 1
302 1 30 PHE HB3 1 31 SER H . . 4.430 3.467 2.943 4.330 . 0 0 "[ . 1 . 2]" 1
303 1 30 PHE HD1 1 33 ARG QD . . 4.690 3.892 2.473 4.519 . 0 0 "[ . 1 . 2]" 1
304 1 31 SER H 1 31 SER HB2 . . 3.600 2.409 2.035 3.533 . 0 0 "[ . 1 . 2]" 1
305 1 31 SER H 1 32 VAL H . . 4.310 2.872 2.335 4.402 0.092 16 0 "[ . 1 . 2]" 1
306 1 31 SER H 1 32 VAL HB . . 4.730 4.544 3.914 4.730 0.000 19 0 "[ . 1 . 2]" 1
307 1 31 SER H 1 32 VAL MG2 . . 4.910 4.215 3.570 5.740 0.830 10 1 "[ . + . 2]" 1
308 1 32 VAL H 1 32 VAL HB . . 3.830 2.475 2.217 3.499 . 0 0 "[ . 1 . 2]" 1
309 1 32 VAL H 1 32 VAL MG1 . . 4.590 3.660 2.381 4.039 . 0 0 "[ . 1 . 2]" 1
310 1 32 VAL H 1 32 VAL MG2 . . 3.820 2.549 1.968 3.646 . 0 0 "[ . 1 . 2]" 1
311 1 32 VAL H 1 33 ARG H . . 4.100 2.818 1.920 3.734 . 0 0 "[ . 1 . 2]" 1
312 1 32 VAL HA 1 32 VAL MG2 . . 3.480 2.250 2.072 2.348 . 0 0 "[ . 1 . 2]" 1
313 1 32 VAL HB 1 33 ARG H . . 4.000 2.509 1.959 3.762 . 0 0 "[ . 1 . 2]" 1
314 1 32 VAL MG1 1 33 ARG H . . 3.720 2.935 1.861 3.722 0.002 7 0 "[ . 1 . 2]" 1
315 1 32 VAL MG2 1 33 ARG H . . 4.150 3.876 3.638 4.153 0.003 6 0 "[ . 1 . 2]" 1
316 1 33 ARG H 1 33 ARG QB . . 3.870 2.612 2.300 3.336 . 0 0 "[ . 1 . 2]" 1
317 1 33 ARG H 1 33 ARG QD . . 4.840 3.693 2.905 4.570 . 0 0 "[ . 1 . 2]" 1
318 1 33 ARG H 1 33 ARG QG . . 3.660 2.168 1.932 2.705 . 0 0 "[ . 1 . 2]" 1
319 1 33 ARG H 1 34 SER H . . 4.200 3.370 2.744 4.212 0.012 6 0 "[ . 1 . 2]" 1
320 1 33 ARG H 1 34 SER HA . . 5.410 5.261 4.792 5.450 0.040 9 0 "[ . 1 . 2]" 1
321 1 33 ARG HA 1 33 ARG QG . . 3.710 2.543 2.182 3.349 . 0 0 "[ . 1 . 2]" 1
322 1 33 ARG QG 1 34 SER H . . 4.530 4.058 2.120 4.411 . 0 0 "[ . 1 . 2]" 1
323 1 34 SER H 1 34 SER HB3 . . 3.770 3.313 2.379 4.085 0.315 4 0 "[ . 1 . 2]" 1
324 1 34 SER HA 1 35 ARG QB . . 4.510 4.192 3.966 4.362 . 0 0 "[ . 1 . 2]" 1
325 1 36 HIS HA 1 37 ARG H . . 3.380 2.531 2.190 3.449 0.069 18 0 "[ . 1 . 2]" 1
326 1 37 ARG H 1 37 ARG QG . . 4.110 2.949 1.983 3.955 . 0 0 "[ . 1 . 2]" 1
327 1 37 ARG H 1 42 GLU QG . . 4.590 3.862 1.898 4.493 . 0 0 "[ . 1 . 2]" 1
328 1 37 ARG HA 1 37 ARG HB3 . . 2.770 2.707 2.413 3.045 0.275 5 0 "[ . 1 . 2]" 1
329 1 37 ARG HA 1 37 ARG QG . . 3.380 2.238 2.030 2.551 . 0 0 "[ . 1 . 2]" 1
330 1 37 ARG HA 1 42 GLU QG . . 3.690 2.202 1.938 3.470 . 0 0 "[ . 1 . 2]" 1
331 1 37 ARG HB3 1 42 GLU QG . . 4.350 3.048 1.914 4.297 . 0 0 "[ . 1 . 2]" 1
332 1 37 ARG HD3 1 42 GLU QG . . 4.500 3.803 2.006 4.838 0.338 3 0 "[ . 1 . 2]" 1
333 1 37 ARG QG 1 38 ARG H . . 4.940 4.118 2.900 4.692 . 0 0 "[ . 1 . 2]" 1
334 1 37 ARG QG 1 42 GLU QB . . 3.730 3.066 1.891 3.632 . 0 0 "[ . 1 . 2]" 1
335 1 37 ARG QG 1 42 GLU QG . . 4.340 2.008 1.844 2.655 . 0 0 "[ . 1 . 2]" 1
336 1 39 ARG QB 1 40 GLN QG . . 3.400 2.954 2.380 3.535 0.135 20 0 "[ . 1 . 2]" 1
337 1 40 GLN H 1 40 GLN QB . . 3.750 2.921 2.449 3.487 . 0 0 "[ . 1 . 2]" 1
338 1 40 GLN H 1 40 GLN QG . . 4.180 2.779 1.873 3.773 . 0 0 "[ . 1 . 2]" 1
339 1 40 GLN HA 1 41 ALA H . . 3.440 2.507 2.203 3.538 0.098 16 0 "[ . 1 . 2]" 1
340 1 40 GLN QB 1 41 ALA MB . . 4.990 4.122 3.184 4.546 . 0 0 "[ . 1 . 2]" 1
341 1 41 ALA H 1 41 ALA MB . . 3.600 2.839 2.426 2.997 . 0 0 "[ . 1 . 2]" 1
342 1 41 ALA H 1 42 GLU QB . . 4.140 3.621 3.293 4.011 . 0 0 "[ . 1 . 2]" 1
343 1 41 ALA H 1 42 GLU QG . . 3.990 3.243 2.740 3.720 . 0 0 "[ . 1 . 2]" 1
344 1 41 ALA HA 1 42 GLU QB . . 4.970 4.591 4.260 4.803 . 0 0 "[ . 1 . 2]" 1
345 1 41 ALA HA 1 44 MET H . . 4.000 3.751 3.321 4.001 0.001 10 0 "[ . 1 . 2]" 1
346 1 41 ALA HA 1 44 MET QB . . 4.170 3.054 1.992 4.037 . 0 0 "[ . 1 . 2]" 1
347 1 41 ALA MB 1 42 GLU QG . . 4.850 3.936 3.249 4.364 . 0 0 "[ . 1 . 2]" 1
348 1 42 GLU H 1 42 GLU QB . . 3.370 2.906 2.416 3.380 0.010 14 0 "[ . 1 . 2]" 1
349 1 42 GLU H 1 42 GLU QG . . 3.930 2.999 2.309 3.492 . 0 0 "[ . 1 . 2]" 1
350 1 42 GLU HA 1 42 GLU QG . . 3.650 2.241 2.085 2.491 . 0 0 "[ . 1 . 2]" 1
351 1 42 GLU QB 1 44 MET H . . 4.520 4.036 3.450 4.333 . 0 0 "[ . 1 . 2]" 1
352 1 42 GLU QG 1 43 ARG H . . 4.930 4.066 3.792 4.579 . 0 0 "[ . 1 . 2]" 1
353 1 43 ARG H 1 44 MET H . . 4.200 2.355 1.899 2.890 . 0 0 "[ . 1 . 2]" 1
354 1 43 ARG HA 1 46 GLN QB . . 4.060 3.454 2.559 3.992 . 0 0 "[ . 1 . 2]" 1
355 1 43 ARG HA 1 46 GLN QG . . 4.260 3.745 2.961 4.184 . 0 0 "[ . 1 . 2]" 1
356 1 43 ARG HA 1 47 ILE H . . 4.700 4.516 3.816 4.718 0.018 5 0 "[ . 1 . 2]" 1
357 1 44 MET H 1 45 SER H . . 4.470 3.077 2.318 4.615 0.145 19 0 "[ . 1 . 2]" 1
358 1 44 MET HA 1 44 MET ME . . 4.590 2.724 1.820 3.552 . 0 0 "[ . 1 . 2]" 1
359 1 44 MET HA 1 47 ILE H . . 4.720 3.294 2.917 3.954 . 0 0 "[ . 1 . 2]" 1
360 1 44 MET HA 1 47 ILE MG . . 3.890 3.221 2.152 3.897 0.007 1 0 "[ . 1 . 2]" 1
361 1 44 MET HA 1 48 LYS H . . 4.600 3.841 3.111 4.439 . 0 0 "[ . 1 . 2]" 1
362 1 44 MET QB 1 44 MET ME . . 2.850 2.384 1.856 2.792 . 0 0 "[ . 1 . 2]" 1
363 1 44 MET ME 1 45 SER HA . . 4.470 3.187 1.964 4.452 . 0 0 "[ . 1 . 2]" 1
364 1 44 MET ME 1 47 ILE MG . . 3.130 2.817 1.992 3.161 0.031 8 0 "[ . 1 . 2]" 1
365 1 44 MET ME 1 48 LYS QB . . 2.490 2.419 1.754 2.504 0.014 5 0 "[ . 1 . 2]" 1
366 1 44 MET ME 1 48 LYS QD . . 3.620 1.998 1.647 3.354 . 0 0 "[ . 1 . 2]" 1
367 1 44 MET ME 1 48 LYS HE3 . . 4.600 3.978 3.050 4.762 0.162 17 0 "[ . 1 . 2]" 1
368 1 44 MET ME 1 48 LYS HG3 . . 4.990 2.984 1.918 3.759 . 0 0 "[ . 1 . 2]" 1
369 1 45 SER H 1 45 SER HB2 . . 3.810 2.545 2.034 3.556 . 0 0 "[ . 1 . 2]" 1
370 1 45 SER H 1 45 SER HB3 . . 3.810 3.081 2.253 3.839 0.029 1 0 "[ . 1 . 2]" 1
371 1 45 SER HA 1 48 LYS H . . 4.270 3.727 3.260 4.272 0.002 19 0 "[ . 1 . 2]" 1
372 1 45 SER HA 1 48 LYS QB . . 4.150 2.682 2.077 3.292 . 0 0 "[ . 1 . 2]" 1
373 1 45 SER HA 1 48 LYS QD . . 4.220 3.087 2.126 4.050 . 0 0 "[ . 1 . 2]" 1
374 1 45 SER HB2 1 46 GLN H . . 4.360 3.530 2.667 4.356 . 0 0 "[ . 1 . 2]" 1
375 1 45 SER HB3 1 46 GLN H . . 4.280 2.975 2.119 4.266 . 0 0 "[ . 1 . 2]" 1
376 1 46 GLN H 1 46 GLN QB . . 3.740 2.273 2.053 2.627 . 0 0 "[ . 1 . 2]" 1
377 1 46 GLN H 1 46 GLN QG . . 3.900 2.792 2.051 3.649 . 0 0 "[ . 1 . 2]" 1
378 1 46 GLN H 1 47 ILE H . . 3.800 2.601 2.003 2.994 . 0 0 "[ . 1 . 2]" 1
379 1 46 GLN HA 1 46 GLN QG . . 3.540 2.510 2.040 3.291 . 0 0 "[ . 1 . 2]" 1
380 1 46 GLN QB 1 47 ILE H . . 4.030 2.763 2.270 3.444 . 0 0 "[ . 1 . 2]" 1
381 1 46 GLN QG 1 47 ILE H . . 4.980 3.491 1.871 4.622 . 0 0 "[ . 1 . 2]" 1
382 1 47 ILE H 1 47 ILE HB . . 3.420 2.128 2.000 2.389 . 0 0 "[ . 1 . 2]" 1
383 1 47 ILE H 1 47 ILE MD . . 4.020 2.755 1.853 4.146 0.126 13 0 "[ . 1 . 2]" 1
384 1 47 ILE H 1 47 ILE QG . . 3.960 3.398 2.574 3.741 . 0 0 "[ . 1 . 2]" 1
385 1 47 ILE H 1 47 ILE MG . . 3.840 3.379 2.766 3.666 . 0 0 "[ . 1 . 2]" 1
386 1 47 ILE H 1 48 LYS H . . 3.970 2.694 1.881 3.043 . 0 0 "[ . 1 . 2]" 1
387 1 47 ILE HA 1 47 ILE MD . . 3.910 2.923 1.985 3.716 . 0 0 "[ . 1 . 2]" 1
388 1 47 ILE HA 1 47 ILE QG . . 3.830 2.145 2.036 2.379 . 0 0 "[ . 1 . 2]" 1
389 1 47 ILE HA 1 47 ILE MG . . 3.360 2.800 2.605 3.148 . 0 0 "[ . 1 . 2]" 1
390 1 47 ILE HA 1 49 ARG H . . 4.660 4.450 3.577 4.795 0.135 8 0 "[ . 1 . 2]" 1
391 1 47 ILE HA 1 50 LEU H . . 4.270 3.196 2.781 3.515 . 0 0 "[ . 1 . 2]" 1
392 1 47 ILE HA 1 50 LEU HB2 . . 4.090 3.152 2.730 3.608 . 0 0 "[ . 1 . 2]" 1
393 1 47 ILE HA 1 50 LEU HB3 . . 4.220 1.984 1.945 2.014 . 0 0 "[ . 1 . 2]" 1
394 1 47 ILE HA 1 50 LEU MD1 . . 4.060 3.700 3.260 4.225 0.165 18 0 "[ . 1 . 2]" 1
395 1 47 ILE HA 1 51 LEU H . . 4.600 3.658 3.121 3.980 . 0 0 "[ . 1 . 2]" 1
396 1 47 ILE HA 1 51 LEU HG . . 3.620 3.437 2.673 3.705 0.085 13 0 "[ . 1 . 2]" 1
397 1 47 ILE HB 1 48 LYS H . . 3.540 3.175 2.670 3.582 0.042 4 0 "[ . 1 . 2]" 1
398 1 47 ILE MD 1 48 LYS H . . 4.590 4.306 4.038 4.662 0.072 20 0 "[ . 1 . 2]" 1
399 1 47 ILE QG 1 50 LEU HG . . 3.550 3.430 2.967 3.536 . 0 0 "[ . 1 . 2]" 1
400 1 47 ILE MG 1 48 LYS H . . 3.800 2.817 1.855 3.628 . 0 0 "[ . 1 . 2]" 1
401 1 48 LYS H 1 48 LYS QB . . 3.390 2.025 1.995 2.152 . 0 0 "[ . 1 . 2]" 1
402 1 48 LYS H 1 48 LYS QD . . 3.890 3.650 2.018 3.810 . 0 0 "[ . 1 . 2]" 1
403 1 48 LYS H 1 48 LYS HG3 . . 3.870 3.901 3.848 4.025 0.155 4 0 "[ . 1 . 2]" 1
404 1 48 LYS H 1 49 ARG H . . 3.710 3.029 2.630 3.258 . 0 0 "[ . 1 . 2]" 1
405 1 48 LYS HA 1 48 LYS QD . . 4.180 3.535 3.360 3.725 . 0 0 "[ . 1 . 2]" 1
406 1 48 LYS HA 1 48 LYS HG2 . . 4.260 3.102 2.926 3.492 . 0 0 "[ . 1 . 2]" 1
407 1 48 LYS HA 1 48 LYS HG3 . . 4.070 2.110 1.965 4.165 0.095 4 0 "[ . 1 . 2]" 1
408 1 48 LYS HA 1 51 LEU H . . 4.330 3.980 3.715 4.305 . 0 0 "[ . 1 . 2]" 1
409 1 48 LYS HA 1 51 LEU HB2 . . 4.090 3.771 3.473 4.102 0.012 19 0 "[ . 1 . 2]" 1
410 1 48 LYS HA 1 51 LEU MD1 . . 4.160 3.365 2.540 4.160 0.000 6 0 "[ . 1 . 2]" 1
411 1 48 LYS HE2 1 48 LYS HG2 . . 3.760 2.844 2.150 3.650 . 0 0 "[ . 1 . 2]" 1
412 1 48 LYS HE2 1 48 LYS HG3 . . 3.790 3.375 2.222 4.252 0.462 9 0 "[ . 1 . 2]" 1
413 1 48 LYS HG2 1 49 ARG H . . 4.860 4.397 2.835 4.880 0.020 20 0 "[ . 1 . 2]" 1
414 1 48 LYS HG2 1 49 ARG HD3 . . 3.910 3.781 2.782 4.362 0.452 9 0 "[ . 1 . 2]" 1
415 1 49 ARG H 1 49 ARG QB . . 3.040 2.469 2.161 2.598 . 0 0 "[ . 1 . 2]" 1
416 1 49 ARG H 1 49 ARG HG2 . . 3.560 2.391 1.953 4.023 0.463 8 0 "[ . 1 . 2]" 1
417 1 49 ARG H 1 49 ARG HG3 . . 3.900 3.603 3.470 3.937 0.037 4 0 "[ . 1 . 2]" 1
418 1 49 ARG HA 1 49 ARG HD2 . . 2.980 2.280 1.999 3.932 0.952 8 2 "[ . + 1 . -2]" 1
419 1 49 ARG HA 1 49 ARG HG2 . . 3.590 3.330 2.922 3.577 . 0 0 "[ . 1 . 2]" 1
420 1 49 ARG HA 1 49 ARG HG3 . . 3.940 3.518 2.257 3.790 . 0 0 "[ . 1 . 2]" 1
421 1 49 ARG HA 1 52 SER H . . 3.800 3.482 2.835 3.806 0.006 14 0 "[ . 1 . 2]" 1
422 1 49 ARG HA 1 52 SER HA . . 4.370 3.974 3.364 4.408 0.038 20 0 "[ . 1 . 2]" 1
423 1 49 ARG HA 1 52 SER QB . . 4.180 2.777 1.817 3.839 . 0 0 "[ . 1 . 2]" 1
424 1 50 LEU H 1 50 LEU HB2 . . 3.180 2.678 2.440 3.092 . 0 0 "[ . 1 . 2]" 1
425 1 50 LEU H 1 50 LEU HB3 . . 3.340 2.273 1.990 2.448 . 0 0 "[ . 1 . 2]" 1
426 1 50 LEU H 1 50 LEU MD1 . . 3.920 4.057 3.925 4.279 0.359 8 0 "[ . 1 . 2]" 1
427 1 50 LEU H 1 50 LEU MD2 . . 5.120 3.997 3.856 4.110 . 0 0 "[ . 1 . 2]" 1
428 1 50 LEU HA 1 50 LEU MD2 . . 3.330 2.776 1.966 4.086 0.756 10 7 "[ ** .* * + . *-2]" 1
429 1 50 LEU HA 1 50 LEU HG . . 3.730 3.727 3.441 3.848 0.118 5 0 "[ . 1 . 2]" 1
430 1 50 LEU HB2 1 50 LEU MD1 . . 3.570 2.891 2.251 3.203 . 0 0 "[ . 1 . 2]" 1
431 1 50 LEU HB2 1 51 LEU H . . 3.880 4.064 3.868 4.368 0.488 8 0 "[ . 1 . 2]" 1
432 1 50 LEU HB3 1 50 LEU MD1 . . 3.480 2.567 2.165 3.212 . 0 0 "[ . 1 . 2]" 1
433 1 50 LEU MD1 1 51 LEU HG . . 2.980 2.620 1.970 3.922 0.942 8 3 "[ . + 1 . *-2]" 1
434 1 51 LEU H 1 51 LEU HB2 . . 3.800 2.597 2.481 2.803 . 0 0 "[ . 1 . 2]" 1
435 1 51 LEU H 1 51 LEU HB3 . . 3.690 3.589 3.557 3.683 . 0 0 "[ . 1 . 2]" 1
436 1 51 LEU H 1 51 LEU MD1 . . 4.070 3.432 3.246 3.655 . 0 0 "[ . 1 . 2]" 1
437 1 51 LEU H 1 51 LEU MD2 . . 3.780 3.346 3.146 3.661 . 0 0 "[ . 1 . 2]" 1
438 1 51 LEU H 1 51 LEU HG . . 3.340 2.111 1.945 2.498 . 0 0 "[ . 1 . 2]" 1
439 1 51 LEU HB2 1 52 SER H . . 3.900 2.307 1.983 2.730 . 0 0 "[ . 1 . 2]" 1
440 1 51 LEU HB3 1 51 LEU MD1 . . 3.670 2.505 2.370 2.586 . 0 0 "[ . 1 . 2]" 1
441 1 51 LEU HB3 1 51 LEU MD2 . . 3.500 2.319 2.146 2.454 . 0 0 "[ . 1 . 2]" 1
442 1 51 LEU HB3 1 52 SER H . . 3.900 3.565 3.223 3.933 0.033 20 0 "[ . 1 . 2]" 1
443 1 51 LEU MD1 1 52 SER H . . 4.280 4.020 3.717 4.307 0.027 19 0 "[ . 1 . 2]" 1
444 1 51 LEU HG 1 52 SER H . . 4.120 4.009 3.755 4.134 0.014 19 0 "[ . 1 . 2]" 1
445 1 52 SER H 1 52 SER QB . . 3.580 2.768 2.116 3.285 . 0 0 "[ . 1 . 2]" 1
446 1 52 SER H 1 53 GLU H . . 3.830 3.458 2.829 3.856 0.026 2 0 "[ . 1 . 2]" 1
447 1 52 SER HA 1 53 GLU H . . 3.560 2.768 2.215 3.647 0.087 12 0 "[ . 1 . 2]" 1
448 1 52 SER HA 1 53 GLU HA . . 4.500 4.446 4.271 4.576 0.076 10 0 "[ . 1 . 2]" 1
449 1 53 GLU H 1 53 GLU QB . . 3.160 2.482 2.009 3.120 . 0 0 "[ . 1 . 2]" 1
450 1 53 GLU H 1 53 GLU HG2 . . 4.330 4.017 2.054 4.727 0.397 6 0 "[ . 1 . 2]" 1
451 1 53 GLU HA 1 54 LYS H . . 3.490 2.820 2.211 3.608 0.118 10 0 "[ . 1 . 2]" 1
452 1 54 LYS H 1 54 LYS HB2 . . 3.300 2.876 2.018 3.945 0.645 8 1 "[ . + 1 . 2]" 1
453 1 54 LYS H 1 54 LYS HG3 . . 3.850 3.396 1.966 3.978 0.128 8 0 "[ . 1 . 2]" 1
454 1 55 LYS H 1 55 LYS HG2 . . 4.230 3.586 2.143 4.643 0.413 1 0 "[ . 1 . 2]" 1
455 1 55 LYS HA 1 55 LYS HG2 . . 4.200 3.025 2.005 4.202 0.002 15 0 "[ . 1 . 2]" 1
456 1 55 LYS QB 1 55 LYS HE3 . . 4.940 3.651 2.035 4.468 . 0 0 "[ . 1 . 2]" 1
457 1 55 LYS QD 1 56 THR MG . . 3.310 2.743 1.899 3.248 . 0 0 "[ . 1 . 2]" 1
458 1 55 LYS HE2 1 56 THR MG . . 4.710 4.329 2.469 5.642 0.932 10 3 "[ -. *+ . 2]" 1
459 1 56 THR HA 1 56 THR HB . . 2.880 2.494 2.408 2.644 . 0 0 "[ . 1 . 2]" 1
460 1 56 THR HA 1 56 THR MG . . 3.630 3.010 2.345 3.246 . 0 0 "[ . 1 . 2]" 1
461 1 58 GLN HA 1 58 GLN HG2 . . 4.180 2.859 2.015 3.861 . 0 0 "[ . 1 . 2]" 1
462 1 58 GLN HB2 1 58 GLN HG3 . . 2.710 2.546 2.264 3.055 0.345 8 0 "[ . 1 . 2]" 1
463 1 59 SER HA 1 59 SER HG . . 3.510 2.865 2.000 3.478 . 0 0 "[ . 1 . 2]" 1
464 1 59 SER HA 1 60 PRO HD3 . . 3.110 2.108 1.979 2.503 . 0 0 "[ . 1 . 2]" 1
465 1 62 ARG H 1 63 PHE H . . 5.000 3.669 2.042 4.604 . 0 0 "[ . 1 . 2]" 1
466 1 63 PHE HA 1 63 PHE HD1 . . 3.810 3.092 2.382 3.921 0.111 8 0 "[ . 1 . 2]" 1
467 1 64 GLN HA 1 64 GLN HG3 . . 3.980 2.928 2.038 4.220 0.240 1 0 "[ . 1 . 2]" 1
468 1 64 GLN QB 1 64 GLN HG2 . . 2.730 2.376 2.183 2.571 . 0 0 "[ . 1 . 2]" 1
469 1 64 GLN QB 1 65 LYS QE . . 2.850 2.516 2.035 2.771 . 0 0 "[ . 1 . 2]" 1
470 1 65 LYS HA 1 65 LYS HG3 . . 3.960 2.838 2.030 4.205 0.245 20 0 "[ . 1 . 2]" 1
471 1 65 LYS HB3 1 65 LYS QD . . 3.020 2.725 2.072 3.499 0.479 5 0 "[ . 1 . 2]" 1
472 1 67 HIS HA 1 67 HIS HB3 . . 2.860 2.780 2.344 3.026 0.166 17 0 "[ . 1 . 2]" 1
473 1 68 SER HA 1 68 SER HG . . 3.290 2.903 2.033 3.448 0.158 16 0 "[ . 1 . 2]" 1
474 1 68 SER HA 1 69 PRO HD3 . . 3.030 2.032 1.980 2.129 . 0 0 "[ . 1 . 2]" 1
475 1 68 SER HB3 1 69 PRO HD2 . . 3.510 3.229 2.181 4.329 0.819 16 5 "[ . - * .+* *2]" 1
476 1 69 PRO HD3 1 70 ILE H . . 4.480 3.821 3.668 4.243 . 0 0 "[ . 1 . 2]" 1
477 1 69 PRO QG 1 70 ILE H . . 4.820 2.447 2.193 3.428 . 0 0 "[ . 1 . 2]" 1
478 1 69 PRO QG 1 70 ILE MD . . 3.240 2.822 1.954 3.200 . 0 0 "[ . 1 . 2]" 1
479 1 69 PRO QG 1 70 ILE HG13 . . 3.680 3.520 2.681 4.646 0.966 19 4 "[ . 1 * *. - +2]" 1
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