NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
615800 |
5nbb   |
34111 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_5nbb
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 790
_Distance_constraint_stats_list.Viol_count 4555
_Distance_constraint_stats_list.Viol_total 12807.732
_Distance_constraint_stats_list.Viol_max 0.870
_Distance_constraint_stats_list.Viol_rms 0.0909
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0405
_Distance_constraint_stats_list.Viol_average_violations_only 0.1406
_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 VAL 3.026 0.665 11 2 "[ . - 1+ . 2]"
1 2 SER 5.685 0.384 13 0 "[ . 1 . 2]"
1 3 ASP 9.268 0.462 5 0 "[ . 1 . 2]"
1 4 ILE 25.144 0.555 14 5 "[ . * *+.* -]"
1 5 SER 24.392 0.870 1 5 "[+ . 1- *.** 2]"
1 6 ALA 19.204 0.462 5 0 "[ . 1 . 2]"
1 7 LEU 45.686 0.860 14 5 "[* . 1- +.** 2]"
1 8 THR 36.909 0.303 1 0 "[ . 1 . 2]"
1 9 VAL 25.721 0.375 7 0 "[ . 1 . 2]"
1 10 GLY 7.645 0.215 17 0 "[ . 1 . 2]"
1 11 GLN 37.075 0.438 8 0 "[ . 1 . 2]"
1 12 ALA 13.792 0.285 10 0 "[ . 1 . 2]"
1 13 LEU 30.355 0.475 11 0 "[ . 1 . 2]"
1 14 LYS 11.925 0.426 12 0 "[ . 1 . 2]"
1 15 VAL 26.758 0.319 11 0 "[ . 1 . 2]"
1 16 LYS 26.892 0.536 13 6 "[ ** . 1 +** -]"
1 17 ALA 14.924 0.536 13 6 "[ ** . 1 +** -]"
1 18 GLY 0.263 0.079 17 0 "[ . 1 . 2]"
1 19 GLN 7.677 0.353 15 0 "[ . 1 . 2]"
1 20 ASN 0.815 0.088 9 0 "[ . 1 . 2]"
1 21 ALA 12.345 0.336 11 0 "[ . 1 . 2]"
1 22 MET 17.064 0.481 17 0 "[ . 1 . 2]"
1 23 ASP 16.007 0.758 7 4 "[- *. + 1 * 2]"
1 24 ALA 29.008 0.605 7 2 "[ -. + 1 . 2]"
1 25 THR 30.371 0.758 14 1 "[ . 1 +. 2]"
1 26 VAL 30.519 0.438 8 0 "[ . 1 . 2]"
1 27 LEU 14.292 0.424 14 0 "[ . 1 . 2]"
1 28 GLU 16.277 0.285 7 0 "[ . 1 . 2]"
1 29 ILE 69.137 0.555 14 5 "[ . * *+.* -]"
1 30 THR 28.426 0.395 1 0 "[ . 1 . 2]"
1 31 LYS 11.737 0.816 7 5 "[ . + 1* *.* * 2]"
1 32 ASP 29.701 0.816 7 6 "[ . + 1* *.*-* 2]"
1 33 GLY 27.614 0.641 11 3 "[ . - 1+ .* 2]"
1 34 VAL 36.578 0.399 12 0 "[ . 1 . 2]"
1 35 ARG 14.873 0.407 12 0 "[ . 1 . 2]"
1 36 VAL 23.179 0.363 15 0 "[ . 1 . 2]"
1 37 GLN 27.068 0.795 7 4 "[ . +* 1 *. - 2]"
1 38 LEU 25.112 0.290 2 0 "[ . 1 . 2]"
1 39 ASN 14.411 0.758 7 4 "[- *. + 1 * 2]"
1 40 SER 6.671 0.245 13 0 "[ . 1 . 2]"
1 41 GLY 7.628 0.303 1 0 "[ . 1 . 2]"
1 42 MET 14.933 0.290 2 0 "[ . 1 . 2]"
1 43 SER 13.303 0.334 18 0 "[ . 1 . 2]"
1 44 LEU 18.679 0.795 7 3 "[ . +* 1 . - 2]"
1 45 ILE 54.818 0.663 12 1 "[ . 1 + . 2]"
1 46 VAL 38.242 0.663 12 1 "[ . 1 + . 2]"
1 47 ARG 30.968 0.828 13 6 "[ *. * 1 *+ . - *2]"
1 48 ALA 15.608 0.828 13 4 "[ -. 1 *+ . *2]"
1 49 GLU 13.844 0.328 18 0 "[ . 1 . 2]"
1 50 HIS 24.818 0.864 10 2 "[ . + . -]"
1 51 LEU 36.644 0.582 20 2 "[ . 1 - . +]"
1 52 VAL 15.362 0.550 3 1 "[ + . 1 . 2]"
1 53 PHE 17.302 0.518 12 1 "[ . 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 VAL HA 1 1 VAL MG1 2.034 . 2.551 2.419 2.228 3.216 0.665 11 2 "[ . - 1+ . 2]" 1
2 1 1 VAL HA 1 2 SER H 2.367 . 2.529 2.239 2.078 2.570 0.041 14 0 "[ . 1 . 2]" 1
3 1 1 VAL HA 1 3 ASP H 2.450 . 3.117 3.181 2.977 3.243 0.126 20 0 "[ . 1 . 2]" 1
4 1 1 VAL MG1 1 2 SER H 3.026 . 4.069 3.500 2.340 4.248 0.179 8 0 "[ . 1 . 2]" 1
5 1 1 VAL MG1 1 3 ASP H 3.546 . 4.990 3.778 2.188 4.996 0.006 16 0 "[ . 1 . 2]" 1
6 1 2 SER H 1 2 SER HA 2.849 . 3.771 2.694 2.252 2.948 . 0 0 "[ . 1 . 2]" 1
7 1 2 SER H 1 2 SER HB3 2.846 . 3.533 3.259 2.568 3.706 0.173 7 0 "[ . 1 . 2]" 1
8 1 2 SER H 1 3 ASP H 3.124 . 4.238 2.433 1.889 2.776 0.015 20 0 "[ . 1 . 2]" 1
9 1 2 SER HA 1 2 SER HB3 2.298 . 2.650 2.733 2.376 3.034 0.384 13 0 "[ . 1 . 2]" 1
10 1 2 SER HA 1 3 ASP H 2.757 . 3.012 2.975 2.765 3.082 0.070 15 0 "[ . 1 . 2]" 1
11 1 2 SER HB3 1 3 ASP H 3.355 . 4.645 4.220 3.818 4.618 . 0 0 "[ . 1 . 2]" 1
12 1 3 ASP H 1 3 ASP HB2 3.223 . 4.410 3.230 2.446 3.976 . 0 0 "[ . 1 . 2]" 1
13 1 3 ASP H 1 3 ASP HB3 3.001 . 4.027 3.807 2.717 4.116 0.089 20 0 "[ . 1 . 2]" 1
14 1 3 ASP H 1 4 ILE H 3.498 . 4.122 4.276 4.021 4.487 0.365 11 0 "[ . 1 . 2]" 1
15 1 3 ASP H 1 4 ILE HA 3.898 . 5.650 5.094 4.687 5.687 0.037 5 0 "[ . 1 . 2]" 1
16 1 3 ASP HB2 1 4 ILE H 2.880 . 3.822 3.413 2.573 3.900 0.078 18 0 "[ . 1 . 2]" 1
17 1 3 ASP HB2 1 5 SER H 3.410 . 4.743 4.230 3.056 4.786 0.043 20 0 "[ . 1 . 2]" 1
18 1 3 ASP HB2 1 6 ALA H 3.537 . 4.973 4.745 3.611 5.106 0.133 18 0 "[ . 1 . 2]" 1
19 1 3 ASP HB3 1 4 ILE H 3.079 . 4.160 2.647 1.834 3.928 0.060 7 0 "[ . 1 . 2]" 1
20 1 3 ASP HB3 1 5 SER H 3.302 . 4.549 3.758 3.055 4.812 0.263 12 0 "[ . 1 . 2]" 1
21 1 3 ASP HB3 1 6 ALA H 3.328 . 4.596 4.370 3.830 5.058 0.462 5 0 "[ . 1 . 2]" 1
22 1 4 ILE H 1 4 ILE HB 2.063 . 2.536 2.477 2.367 2.553 0.017 4 0 "[ . 1 . 2]" 1
23 1 4 ILE H 1 4 ILE HG12 2.516 . 3.228 3.254 2.282 3.336 0.108 13 0 "[ . 1 . 2]" 1
24 1 4 ILE H 1 4 ILE HG13 2.410 . 3.061 2.304 2.050 3.321 0.260 2 0 "[ . 1 . 2]" 1
25 1 4 ILE H 1 4 ILE MG 2.350 . 3.040 3.501 3.408 3.595 0.555 14 5 "[ . * *+.* -]" 1
26 1 4 ILE H 1 5 SER H 2.686 . 3.503 2.664 2.410 3.032 . 0 0 "[ . 1 . 2]" 1
27 1 4 ILE H 1 6 ALA H 3.456 . 4.826 4.753 4.545 4.875 0.049 20 0 "[ . 1 . 2]" 1
28 1 4 ILE H 1 7 LEU H 3.814 . 5.490 3.483 3.335 3.660 . 0 0 "[ . 1 . 2]" 1
29 1 4 ILE H 1 8 THR H 2.924 . 3.993 4.157 4.090 4.242 0.249 13 0 "[ . 1 . 2]" 1
30 1 4 ILE H 1 29 ILE MD 3.093 . 4.184 3.289 2.983 3.638 . 0 0 "[ . 1 . 2]" 1
31 1 4 ILE HA 1 4 ILE HB 2.305 . 2.892 3.000 2.996 3.004 0.112 17 0 "[ . 1 . 2]" 1
32 1 4 ILE HB 1 4 ILE MD 2.403 . 3.044 2.531 2.438 3.169 0.125 2 0 "[ . 1 . 2]" 1
33 1 4 ILE HB 1 4 ILE HG12 2.387 . 3.020 2.991 2.603 3.020 0.000 4 0 "[ . 1 . 2]" 1
34 1 4 ILE HB 1 4 ILE MG 2.054 . 2.516 2.114 2.108 2.117 . 0 0 "[ . 1 . 2]" 1
35 1 4 ILE HB 1 5 SER H 2.936 . 3.916 2.045 1.825 2.357 0.034 14 0 "[ . 1 . 2]" 1
36 1 4 ILE HB 1 6 ALA H 3.569 . 5.033 4.543 4.226 4.783 . 0 0 "[ . 1 . 2]" 1
37 1 4 ILE HB 1 7 LEU H 3.469 . 4.849 4.001 3.672 4.261 . 0 0 "[ . 1 . 2]" 1
38 1 4 ILE HB 1 29 ILE MG 2.354 . 2.967 2.624 2.358 2.802 . 0 0 "[ . 1 . 2]" 1
39 1 4 ILE MD 1 4 ILE HG12 2.081 . 2.421 2.121 2.110 2.124 . 0 0 "[ . 1 . 2]" 1
40 1 4 ILE MD 1 4 ILE HG13 2.315 . 2.593 2.119 2.113 2.121 . 0 0 "[ . 1 . 2]" 1
41 1 4 ILE MD 1 9 VAL MG2 2.223 . 2.767 1.890 1.736 2.778 0.011 2 0 "[ . 1 . 2]" 1
42 1 4 ILE MD 1 29 ILE H 2.512 . 3.300 3.479 3.328 3.671 0.371 2 0 "[ . 1 . 2]" 1
43 1 4 ILE MD 1 29 ILE H 2.520 . 3.314 3.244 3.168 3.344 0.030 2 0 "[ . 1 . 2]" 1
44 1 4 ILE HG12 1 4 ILE MG 2.473 . 3.152 2.513 2.394 3.168 0.016 2 0 "[ . 1 . 2]" 1
45 1 4 ILE HG13 1 4 ILE MG 2.624 . 3.393 3.162 2.634 3.197 . 0 0 "[ . 1 . 2]" 1
46 1 4 ILE HG13 1 5 SER H 3.046 . 4.104 3.984 3.842 4.428 0.324 2 0 "[ . 1 . 2]" 1
47 1 4 ILE HG13 1 8 THR HA 2.099 . 2.583 2.180 2.010 2.667 0.084 2 0 "[ . 1 . 2]" 1
48 1 4 ILE MG 1 5 SER H 2.714 . 3.548 2.948 2.568 3.213 . 0 0 "[ . 1 . 2]" 1
49 1 4 ILE MG 1 5 SER HA 2.683 . 3.488 3.491 3.259 3.613 0.125 6 0 "[ . 1 . 2]" 1
50 1 5 SER H 1 5 SER HA 2.376 . 3.009 2.882 2.848 2.909 . 0 0 "[ . 1 . 2]" 1
51 1 5 SER H 1 5 SER HB2 2.552 . 3.278 3.066 2.327 3.557 0.279 9 0 "[ . 1 . 2]" 1
52 1 5 SER H 1 5 SER HB3 2.170 . 2.695 2.856 2.465 3.565 0.870 1 5 "[+ . 1* -.** 2]" 1
53 1 5 SER H 1 6 ALA H 2.451 . 3.122 2.714 2.570 2.869 . 0 0 "[ . 1 . 2]" 1
54 1 5 SER H 1 6 ALA HA 3.711 . 5.296 4.702 4.566 4.814 . 0 0 "[ . 1 . 2]" 1
55 1 5 SER H 1 7 LEU H 3.213 . 4.392 2.397 2.274 2.580 . 0 0 "[ . 1 . 2]" 1
56 1 5 SER H 1 29 ILE MD 3.546 . 4.990 2.892 2.787 2.992 . 0 0 "[ . 1 . 2]" 1
57 1 5 SER HA 1 5 SER HB2 2.183 . 2.708 2.563 2.371 2.949 0.241 14 0 "[ . 1 . 2]" 1
58 1 5 SER HA 1 5 SER HB3 2.023 . 2.535 2.617 2.366 2.957 0.422 5 0 "[ . 1 . 2]" 1
59 1 5 SER HA 1 6 ALA H 2.629 . 3.409 3.470 3.398 3.507 0.098 7 0 "[ . 1 . 2]" 1
60 1 5 SER HA 1 7 LEU H 2.916 . 3.979 4.208 4.140 4.283 0.304 14 0 "[ . 1 . 2]" 1
61 1 5 SER HB3 1 6 ALA H 2.652 . 3.446 2.669 1.765 3.222 0.008 13 0 "[ . 1 . 2]" 1
62 1 5 SER HB3 1 7 LEU H 2.790 . 3.673 3.826 3.086 4.533 0.860 14 5 "[* . 1- +.** 2]" 1
63 1 6 ALA H 1 6 ALA HA 2.482 . 3.175 2.939 2.926 2.951 . 0 0 "[ . 1 . 2]" 1
64 1 6 ALA H 1 6 ALA MB 2.077 . 2.446 2.348 2.313 2.412 . 0 0 "[ . 1 . 2]" 1
65 1 6 ALA H 1 7 LEU H 2.304 . 2.856 1.696 1.568 1.834 0.073 20 0 "[ . 1 . 2]" 1
66 1 6 ALA H 1 7 LEU HB2 3.394 . 4.834 5.022 4.957 5.088 0.254 6 0 "[ . 1 . 2]" 1
67 1 6 ALA H 1 7 LEU HB3 3.183 . 4.340 4.237 4.119 4.346 0.006 17 0 "[ . 1 . 2]" 1
68 1 6 ALA H 1 7 LEU MD1 3.169 . 4.315 4.418 4.366 4.451 0.136 11 0 "[ . 1 . 2]" 1
69 1 6 ALA H 1 7 LEU MD2 3.663 . 5.206 2.484 2.350 2.617 . 0 0 "[ . 1 . 2]" 1
70 1 6 ALA H 1 7 LEU HG 3.123 . 4.236 3.003 2.871 3.081 . 0 0 "[ . 1 . 2]" 1
71 1 6 ALA H 1 30 THR H 3.811 . 5.627 5.329 5.218 5.474 . 0 0 "[ . 1 . 2]" 1
72 1 6 ALA H 1 29 ILE MG 3.188 . 4.349 3.224 3.007 3.493 . 0 0 "[ . 1 . 2]" 1
73 1 6 ALA H 1 32 ASP HA 2.725 . 3.638 3.637 3.445 3.746 0.108 18 0 "[ . 1 . 2]" 1
74 1 6 ALA H 1 53 PHE QD 3.854 . 5.685 5.704 5.469 5.781 0.096 3 0 "[ . 1 . 2]" 1
75 1 6 ALA HA 1 6 ALA MB 1.768 . 2.104 2.140 2.135 2.149 0.045 9 0 "[ . 1 . 2]" 1
76 1 6 ALA HA 1 7 LEU H 2.476 . 3.165 3.183 3.134 3.242 0.077 12 0 "[ . 1 . 2]" 1
77 1 6 ALA MB 1 7 LEU H 2.569 . 3.106 3.219 3.177 3.255 0.149 7 0 "[ . 1 . 2]" 1
78 1 6 ALA MB 1 7 LEU MD2 2.077 . 2.550 1.924 1.825 2.138 . 0 0 "[ . 1 . 2]" 1
79 1 6 ALA MB 1 33 GLY H 3.387 . 4.702 4.898 4.844 4.968 0.266 8 0 "[ . 1 . 2]" 1
80 1 7 LEU H 1 7 LEU HA 2.439 . 3.107 2.856 2.827 2.899 . 0 0 "[ . 1 . 2]" 1
81 1 7 LEU H 1 7 LEU MD1 2.429 . 3.154 3.270 3.228 3.297 0.143 14 0 "[ . 1 . 2]" 1
82 1 7 LEU H 1 7 LEU MD2 2.602 . 3.433 2.694 2.537 2.801 . 0 0 "[ . 1 . 2]" 1
83 1 7 LEU H 1 7 LEU HG 2.209 . 2.754 2.452 2.226 2.566 . 0 0 "[ . 1 . 2]" 1
84 1 7 LEU H 1 8 THR H 3.016 . 4.053 4.250 4.225 4.274 0.221 12 0 "[ . 1 . 2]" 1
85 1 7 LEU H 1 29 ILE MG 3.004 . 4.031 3.481 3.399 3.606 . 0 0 "[ . 1 . 2]" 1
86 1 7 LEU H 1 53 PHE QD 3.609 . 5.214 5.277 5.208 5.339 0.125 20 0 "[ . 1 . 2]" 1
87 1 7 LEU HA 1 7 LEU MD2 2.458 . 3.213 3.578 3.548 3.629 0.416 12 0 "[ . 1 . 2]" 1
88 1 7 LEU HA 1 8 THR H 2.267 . 2.325 2.531 2.468 2.565 0.240 16 0 "[ . 1 . 2]" 1
89 1 7 LEU HA 1 11 GLN QE 3.511 . 4.543 3.999 3.892 4.174 . 0 0 "[ . 1 . 2]" 1
90 1 7 LEU HB2 1 7 LEU MD1 2.255 . 2.524 2.044 1.974 2.065 . 0 0 "[ . 1 . 2]" 1
91 1 7 LEU HB2 1 7 LEU MD2 2.311 . 2.902 2.996 2.956 3.011 0.109 20 0 "[ . 1 . 2]" 1
92 1 7 LEU HB2 1 8 THR H 2.257 . 2.825 2.040 1.959 2.139 . 0 0 "[ . 1 . 2]" 1
93 1 7 LEU HB2 1 11 GLN QE 3.568 . 5.031 2.087 1.903 2.471 0.074 4 0 "[ . 1 . 2]" 1
94 1 7 LEU HB3 1 7 LEU MD1 2.331 . 2.891 2.741 2.702 2.817 . 0 0 "[ . 1 . 2]" 1
95 1 7 LEU HB3 1 7 LEU MD2 2.152 . 2.662 2.082 2.046 2.096 . 0 0 "[ . 1 . 2]" 1
96 1 7 LEU HB3 1 8 THR H 2.687 . 3.504 3.514 3.460 3.557 0.053 8 0 "[ . 1 . 2]" 1
97 1 7 LEU HB3 1 11 GLN QE 3.693 . 5.262 2.657 2.397 2.802 . 0 0 "[ . 1 . 2]" 1
98 1 7 LEU MD1 1 7 LEU MD2 1.872 . 2.182 2.072 2.053 2.092 . 0 0 "[ . 1 . 2]" 1
99 1 7 LEU MD1 1 7 LEU HG 2.222 . 2.766 2.101 2.095 2.105 . 0 0 "[ . 1 . 2]" 1
100 1 7 LEU MD1 1 8 THR H 2.606 . 3.442 2.725 2.645 2.811 . 0 0 "[ . 1 . 2]" 1
101 1 7 LEU MD1 1 11 GLN HB3 2.507 . 3.205 2.897 2.813 2.990 . 0 0 "[ . 1 . 2]" 1
102 1 7 LEU MD1 1 29 ILE MG 2.046 . 2.504 2.614 2.581 2.653 0.149 19 0 "[ . 1 . 2]" 1
103 1 7 LEU MD1 1 53 PHE QD 2.365 . 2.985 3.086 3.036 3.165 0.180 8 0 "[ . 1 . 2]" 1
104 1 7 LEU MD2 1 7 LEU HG 2.310 . 2.900 2.108 2.104 2.114 . 0 0 "[ . 1 . 2]" 1
105 1 7 LEU HG 1 8 THR H 3.066 . 4.137 3.586 3.516 3.714 . 0 0 "[ . 1 . 2]" 1
106 1 8 THR H 1 8 THR HB 2.557 . 3.294 2.820 2.791 2.857 . 0 0 "[ . 1 . 2]" 1
107 1 8 THR H 1 9 VAL H 3.379 . 4.251 4.396 4.384 4.415 0.164 5 0 "[ . 1 . 2]" 1
108 1 8 THR H 1 11 GLN H 3.274 . 4.500 4.544 4.337 4.599 0.099 16 0 "[ . 1 . 2]" 1
109 1 8 THR H 1 11 GLN HA 3.743 . 5.356 4.628 4.398 4.742 . 0 0 "[ . 1 . 2]" 1
110 1 8 THR H 1 11 GLN HB3 2.779 . 3.655 3.373 2.753 3.578 . 0 0 "[ . 1 . 2]" 1
111 1 8 THR H 1 11 GLN QE 3.585 . 5.061 3.294 2.983 3.675 . 0 0 "[ . 1 . 2]" 1
112 1 8 THR H 1 11 GLN HG3 3.221 . 4.407 2.936 2.397 3.410 . 0 0 "[ . 1 . 2]" 1
113 1 8 THR H 1 26 VAL MG2 2.942 . 3.927 3.951 3.835 4.005 0.078 6 0 "[ . 1 . 2]" 1
114 1 8 THR HA 1 8 THR HB 2.414 . 3.060 2.991 2.983 2.996 . 0 0 "[ . 1 . 2]" 1
115 1 8 THR HA 1 8 THR MG 2.245 . 2.802 2.149 2.032 2.181 . 0 0 "[ . 1 . 2]" 1
116 1 8 THR HA 1 9 VAL H 1.943 . 2.360 2.397 2.374 2.432 0.072 8 0 "[ . 1 . 2]" 1
117 1 8 THR HA 1 11 GLN H 3.406 . 4.835 5.037 4.968 5.058 0.223 10 0 "[ . 1 . 2]" 1
118 1 8 THR HA 1 29 ILE H 3.835 . 5.673 5.674 5.614 5.717 0.044 5 0 "[ . 1 . 2]" 1
119 1 8 THR HB 1 8 THR MG 2.105 . 2.590 2.101 2.091 2.105 . 0 0 "[ . 1 . 2]" 1
120 1 8 THR HB 1 9 VAL H 2.353 . 2.974 3.114 3.063 3.140 0.166 14 0 "[ . 1 . 2]" 1
121 1 8 THR HB 1 11 GLN H 3.149 . 4.280 4.240 3.953 4.327 0.047 17 0 "[ . 1 . 2]" 1
122 1 8 THR MG 1 9 VAL H 2.404 . 3.053 1.640 1.625 1.686 0.057 16 0 "[ . 1 . 2]" 1
123 1 8 THR MG 1 9 VAL MG2 2.290 . 2.870 2.999 2.982 3.028 0.158 5 0 "[ . 1 . 2]" 1
124 1 8 THR MG 1 11 GLN H 3.140 . 4.264 4.453 4.418 4.477 0.213 6 0 "[ . 1 . 2]" 1
125 1 8 THR MG 1 29 ILE MD 2.363 . 3.061 3.333 3.268 3.364 0.303 1 0 "[ . 1 . 2]" 1
126 1 9 VAL H 1 9 VAL HA 2.482 . 3.175 2.859 2.849 2.871 . 0 0 "[ . 1 . 2]" 1
127 1 9 VAL H 1 9 VAL HB 2.003 . 2.495 2.508 2.487 2.534 0.039 8 0 "[ . 1 . 2]" 1
128 1 9 VAL H 1 9 VAL MG2 1.966 . 2.439 2.177 2.138 2.198 . 0 0 "[ . 1 . 2]" 1
129 1 9 VAL H 1 10 GLY H 3.115 . 4.222 4.426 4.414 4.437 0.215 17 0 "[ . 1 . 2]" 1
130 1 9 VAL H 1 11 GLN H 3.515 . 4.932 4.374 4.308 4.416 . 0 0 "[ . 1 . 2]" 1
131 1 9 VAL H 1 26 VAL HB 3.449 . 4.814 4.627 4.573 4.668 . 0 0 "[ . 1 . 2]" 1
132 1 9 VAL H 1 29 ILE MD 2.623 . 3.400 2.809 2.728 2.868 . 0 0 "[ . 1 . 2]" 1
133 1 9 VAL HA 1 9 VAL MG1 2.161 . 2.674 2.379 2.357 2.394 . 0 0 "[ . 1 . 2]" 1
134 1 9 VAL HA 1 9 VAL MG2 2.115 . 2.606 2.465 2.443 2.481 . 0 0 "[ . 1 . 2]" 1
135 1 9 VAL HA 1 10 GLY H 2.121 . 2.622 2.090 2.074 2.114 . 0 0 "[ . 1 . 2]" 1
136 1 9 VAL HA 1 11 GLN H 2.544 . 3.273 2.934 2.897 2.957 . 0 0 "[ . 1 . 2]" 1
137 1 9 VAL HA 1 26 VAL H 3.228 . 4.419 4.545 4.517 4.560 0.141 17 0 "[ . 1 . 2]" 1
138 1 9 VAL HA 1 26 VAL MG1 2.317 . 2.911 1.637 1.621 1.656 0.025 12 0 "[ . 1 . 2]" 1
139 1 9 VAL HA 1 28 GLU H 3.511 . 4.925 4.840 4.757 4.914 . 0 0 "[ . 1 . 2]" 1
140 1 9 VAL HA 1 29 ILE MD 2.434 . 3.091 3.015 2.917 3.092 0.001 16 0 "[ . 1 . 2]" 1
141 1 9 VAL HB 1 9 VAL MG1 1.864 . 2.240 2.123 2.119 2.128 . 0 0 "[ . 1 . 2]" 1
142 1 9 VAL HB 1 9 VAL MG2 1.921 . 2.322 2.129 2.126 2.131 . 0 0 "[ . 1 . 2]" 1
143 1 9 VAL HB 1 10 GLY H 2.910 . 3.872 3.923 3.890 3.948 0.076 6 0 "[ . 1 . 2]" 1
144 1 9 VAL MG1 1 10 GLY H 2.245 . 2.807 2.397 2.324 2.447 . 0 0 "[ . 1 . 2]" 1
145 1 9 VAL MG1 1 27 LEU H 2.808 . 3.702 3.752 3.719 3.811 0.109 14 0 "[ . 1 . 2]" 1
146 1 9 VAL MG1 1 28 GLU H 2.828 . 3.736 3.609 3.529 3.736 0.000 7 0 "[ . 1 . 2]" 1
147 1 9 VAL MG2 1 26 VAL MG1 1.843 . 2.211 2.228 2.183 2.258 0.047 8 0 "[ . 1 . 2]" 1
148 1 9 VAL MG2 1 28 GLU HA 2.379 . 2.917 2.493 2.366 2.622 . 0 0 "[ . 1 . 2]" 1
149 1 9 VAL MG2 1 29 ILE H 2.274 . 2.920 3.238 3.177 3.295 0.375 7 0 "[ . 1 . 2]" 1
150 1 9 VAL MG2 1 29 ILE MD 2.192 . 2.676 2.536 2.430 2.615 . 0 0 "[ . 1 . 2]" 1
151 1 10 GLY H 1 10 GLY HA2 2.346 . 2.963 2.303 2.294 2.309 . 0 0 "[ . 1 . 2]" 1
152 1 10 GLY H 1 10 GLY HA3 2.438 . 3.106 2.854 2.840 2.868 . 0 0 "[ . 1 . 2]" 1
153 1 10 GLY H 1 11 GLN H 2.377 . 3.010 2.435 2.400 2.466 . 0 0 "[ . 1 . 2]" 1
154 1 10 GLY H 1 11 GLN HA 3.590 . 5.071 5.100 5.075 5.121 0.050 17 0 "[ . 1 . 2]" 1
155 1 10 GLY H 1 12 ALA MB 3.827 . 5.515 5.225 5.189 5.279 . 0 0 "[ . 1 . 2]" 1
156 1 10 GLY H 1 25 THR HA 3.957 . 5.764 5.351 5.230 5.420 . 0 0 "[ . 1 . 2]" 1
157 1 10 GLY H 1 25 THR MG 3.012 . 4.046 3.507 3.407 3.555 . 0 0 "[ . 1 . 2]" 1
158 1 10 GLY H 1 26 VAL H 3.076 . 4.064 3.388 3.353 3.450 . 0 0 "[ . 1 . 2]" 1
159 1 10 GLY H 1 26 VAL HA 3.611 . 5.241 4.019 3.969 4.074 . 0 0 "[ . 1 . 2]" 1
160 1 10 GLY H 1 26 VAL HB 2.443 . 3.113 1.920 1.837 2.030 . 0 0 "[ . 1 . 2]" 1
161 1 10 GLY H 1 26 VAL MG1 2.580 . 3.330 2.672 2.616 2.727 . 0 0 "[ . 1 . 2]" 1
162 1 10 GLY H 1 27 LEU HA 3.187 . 4.348 3.983 3.889 4.072 . 0 0 "[ . 1 . 2]" 1
163 1 10 GLY HA2 1 11 GLN H 2.691 . 3.510 3.105 3.076 3.142 . 0 0 "[ . 1 . 2]" 1
164 1 10 GLY HA2 1 25 THR MG 2.330 . 2.930 2.432 2.275 2.509 . 0 0 "[ . 1 . 2]" 1
165 1 10 GLY HA2 1 26 VAL H 3.850 . 5.560 3.554 3.518 3.613 . 0 0 "[ . 1 . 2]" 1
166 1 10 GLY HA3 1 11 GLN H 2.644 . 3.435 3.419 3.406 3.436 0.001 14 0 "[ . 1 . 2]" 1
167 1 10 GLY HA3 1 25 THR H 3.843 . 5.689 5.699 5.605 5.752 0.063 17 0 "[ . 1 . 2]" 1
168 1 10 GLY HA3 1 26 VAL H 3.545 . 4.988 5.066 5.036 5.119 0.131 16 0 "[ . 1 . 2]" 1
169 1 11 GLN H 1 11 GLN HA 2.352 . 2.972 2.885 2.872 2.896 . 0 0 "[ . 1 . 2]" 1
170 1 11 GLN H 1 11 GLN HB3 2.217 . 2.765 2.560 2.473 2.665 . 0 0 "[ . 1 . 2]" 1
171 1 11 GLN H 1 12 ALA H 2.950 . 3.473 2.486 2.413 2.569 . 0 0 "[ . 1 . 2]" 1
172 1 11 GLN H 1 12 ALA MB 2.988 . 4.104 4.335 4.276 4.389 0.285 10 0 "[ . 1 . 2]" 1
173 1 11 GLN H 1 13 LEU MD1 3.645 . 5.173 5.188 5.080 5.304 0.131 14 0 "[ . 1 . 2]" 1
174 1 11 GLN H 1 25 THR HA 3.593 . 5.076 5.112 5.066 5.173 0.097 17 0 "[ . 1 . 2]" 1
175 1 11 GLN H 1 25 THR MG 2.912 . 3.956 4.036 4.000 4.065 0.109 15 0 "[ . 1 . 2]" 1
176 1 11 GLN H 1 26 VAL H 2.905 . 3.864 3.270 3.223 3.314 . 0 0 "[ . 1 . 2]" 1
177 1 11 GLN H 1 26 VAL HA 3.136 . 4.365 4.785 4.751 4.803 0.438 8 0 "[ . 1 . 2]" 1
178 1 11 GLN H 1 26 VAL HB 1.987 . 2.481 1.909 1.872 1.949 . 0 0 "[ . 1 . 2]" 1
179 1 11 GLN H 1 26 VAL MG1 2.650 . 3.443 3.356 3.305 3.405 . 0 0 "[ . 1 . 2]" 1
180 1 11 GLN H 1 26 VAL MG2 2.456 . 3.135 2.855 2.797 2.920 . 0 0 "[ . 1 . 2]" 1
181 1 11 GLN HA 1 11 GLN HB3 2.346 . 2.955 2.991 2.974 2.996 0.041 3 0 "[ . 1 . 2]" 1
182 1 11 GLN HA 1 11 GLN QE 3.516 . 5.039 4.265 3.817 4.320 . 0 0 "[ . 1 . 2]" 1
183 1 11 GLN HA 1 11 GLN HG2 2.159 . 2.742 2.535 2.272 2.860 0.118 14 0 "[ . 1 . 2]" 1
184 1 11 GLN HA 1 11 GLN HG3 2.278 . 2.927 2.958 2.736 3.177 0.250 4 0 "[ . 1 . 2]" 1
185 1 11 GLN HA 1 26 VAL H 3.851 . 5.560 5.292 5.250 5.337 . 0 0 "[ . 1 . 2]" 1
186 1 11 GLN HB2 1 11 GLN QE 3.384 . 4.696 2.877 2.638 3.254 . 0 0 "[ . 1 . 2]" 1
187 1 11 GLN HB3 1 11 GLN QE 3.526 . 4.521 1.736 1.687 1.800 0.285 9 0 "[ . 1 . 2]" 1
188 1 11 GLN HB3 1 12 ALA H 2.804 . 3.697 2.225 2.082 2.434 . 0 0 "[ . 1 . 2]" 1
189 1 11 GLN HB3 1 26 VAL H 3.082 . 4.165 4.074 3.940 4.281 0.116 8 0 "[ . 1 . 2]" 1
190 1 11 GLN QE 1 11 GLN HG3 2.454 . 3.131 3.055 2.791 3.304 0.173 12 0 "[ . 1 . 2]" 1
191 1 11 GLN QE 1 12 ALA H 3.361 . 4.655 3.226 2.710 3.461 . 0 0 "[ . 1 . 2]" 1
192 1 11 GLN QE 1 12 ALA MB 3.714 . 5.300 4.839 4.117 5.025 . 0 0 "[ . 1 . 2]" 1
193 1 11 GLN QE 1 13 LEU MD1 2.839 . 3.574 3.265 3.090 3.381 . 0 0 "[ . 1 . 2]" 1
194 1 11 GLN QE 1 13 LEU MD2 3.006 . 4.035 1.874 1.819 1.967 0.093 20 0 "[ . 1 . 2]" 1
195 1 11 GLN QE 1 13 LEU HG 3.615 . 5.226 2.068 1.896 2.208 0.086 12 0 "[ . 1 . 2]" 1
196 1 11 GLN QE 1 26 VAL MG2 3.549 . 4.995 2.406 2.218 2.795 . 0 0 "[ . 1 . 2]" 1
197 1 11 GLN QE 1 53 PHE HB2 3.775 . 5.417 3.325 2.738 3.745 . 0 0 "[ . 1 . 2]" 1
198 1 11 GLN QE 1 53 PHE QD 3.645 . 4.856 2.181 1.867 3.048 0.117 7 0 "[ . 1 . 2]" 1
199 1 11 GLN QE 1 53 PHE QE 3.632 . 5.281 4.225 3.905 5.108 . 0 0 "[ . 1 . 2]" 1
200 1 12 ALA H 1 12 ALA HA 2.475 . 3.164 2.229 2.217 2.237 . 0 0 "[ . 1 . 2]" 1
201 1 12 ALA H 1 13 LEU H 2.879 . 3.821 3.851 3.756 3.912 0.091 8 0 "[ . 1 . 2]" 1
202 1 12 ALA H 1 13 LEU HA 3.785 . 5.435 5.471 5.438 5.517 0.082 7 0 "[ . 1 . 2]" 1
203 1 12 ALA H 1 13 LEU MD2 3.427 . 4.773 4.591 4.455 4.730 . 0 0 "[ . 1 . 2]" 1
204 1 12 ALA H 1 25 THR HA 3.365 . 4.663 3.316 3.204 3.396 . 0 0 "[ . 1 . 2]" 1
205 1 12 ALA H 1 25 THR MG 3.092 . 4.268 3.543 3.438 3.593 . 0 0 "[ . 1 . 2]" 1
206 1 12 ALA H 1 26 VAL HB 2.481 . 3.174 2.902 2.776 2.989 . 0 0 "[ . 1 . 2]" 1
207 1 12 ALA H 1 26 VAL MG2 3.555 . 5.007 1.970 1.912 2.133 0.063 10 0 "[ . 1 . 2]" 1
208 1 12 ALA HA 1 12 ALA MB 2.121 . 2.615 2.098 2.093 2.105 . 0 0 "[ . 1 . 2]" 1
209 1 12 ALA HA 1 13 LEU H 1.981 . 2.415 2.049 1.992 2.077 . 0 0 "[ . 1 . 2]" 1
210 1 12 ALA HA 1 25 THR HA 2.542 . 3.262 1.782 1.762 1.813 . 0 0 "[ . 1 . 2]" 1
211 1 12 ALA HA 1 25 THR MG 2.417 . 3.147 3.302 3.258 3.351 0.204 12 0 "[ . 1 . 2]" 1
212 1 12 ALA HA 1 26 VAL H 2.760 . 3.623 2.525 2.431 2.602 . 0 0 "[ . 1 . 2]" 1
213 1 12 ALA MB 1 13 LEU H 2.488 . 2.791 2.937 2.876 3.003 0.212 14 0 "[ . 1 . 2]" 1
214 1 12 ALA MB 1 24 ALA H 3.141 . 4.266 4.320 4.204 4.386 0.120 17 0 "[ . 1 . 2]" 1
215 1 12 ALA MB 1 25 THR H 3.368 . 4.667 4.646 4.517 4.708 0.041 15 0 "[ . 1 . 2]" 1
216 1 12 ALA MB 1 25 THR MG 2.159 . 2.671 2.410 2.305 2.490 . 0 0 "[ . 1 . 2]" 1
217 1 12 ALA MB 1 26 VAL H 3.050 . 4.111 3.336 3.218 3.424 . 0 0 "[ . 1 . 2]" 1
218 1 12 ALA MB 1 37 GLN QE 3.786 . 5.578 5.232 4.699 5.483 . 0 0 "[ . 1 . 2]" 1
219 1 13 LEU H 1 13 LEU HA 2.330 . 2.939 2.882 2.835 2.904 . 0 0 "[ . 1 . 2]" 1
220 1 13 LEU H 1 13 LEU HB2 2.873 . 3.810 3.622 3.531 3.816 0.006 7 0 "[ . 1 . 2]" 1
221 1 13 LEU H 1 13 LEU HB3 2.688 . 3.506 3.815 3.673 3.874 0.368 10 0 "[ . 1 . 2]" 1
222 1 13 LEU H 1 13 LEU MD1 2.499 . 3.202 1.725 1.692 1.806 0.026 14 0 "[ . 1 . 2]" 1
223 1 13 LEU H 1 14 LYS H 3.091 . 4.180 4.094 4.035 4.211 0.031 9 0 "[ . 1 . 2]" 1
224 1 13 LEU H 1 24 ALA H 2.734 . 3.366 3.034 2.860 3.128 . 0 0 "[ . 1 . 2]" 1
225 1 13 LEU H 1 24 ALA MB 2.764 . 3.630 3.655 3.498 3.721 0.091 17 0 "[ . 1 . 2]" 1
226 1 13 LEU H 1 25 THR HA 2.601 . 3.365 3.119 3.041 3.232 . 0 0 "[ . 1 . 2]" 1
227 1 13 LEU H 1 25 THR HB 3.541 . 5.109 5.216 5.184 5.258 0.149 1 0 "[ . 1 . 2]" 1
228 1 13 LEU H 1 26 VAL H 3.382 . 4.692 4.235 4.183 4.295 . 0 0 "[ . 1 . 2]" 1
229 1 13 LEU H 1 26 VAL MG2 3.256 . 4.468 3.806 3.682 3.911 . 0 0 "[ . 1 . 2]" 1
230 1 13 LEU HA 1 14 LYS H 2.278 . 2.927 2.955 2.889 3.039 0.112 1 0 "[ . 1 . 2]" 1
231 1 13 LEU HB2 1 13 LEU MD2 2.526 . 3.237 2.318 2.251 2.361 . 0 0 "[ . 1 . 2]" 1
232 1 13 LEU HB2 1 14 LYS H 2.105 . 2.648 1.484 1.429 1.581 0.122 10 0 "[ . 1 . 2]" 1
233 1 13 LEU HB3 1 13 LEU MD2 2.491 . 3.181 2.397 2.300 2.538 . 0 0 "[ . 1 . 2]" 1
234 1 13 LEU HB3 1 24 ALA H 3.962 . 5.773 5.853 5.792 5.966 0.193 4 0 "[ . 1 . 2]" 1
235 1 13 LEU MD1 1 14 LYS H 2.731 . 3.576 3.114 2.833 3.248 . 0 0 "[ . 1 . 2]" 1
236 1 13 LEU MD1 1 15 VAL H 3.366 . 4.760 4.820 4.703 4.885 0.125 10 0 "[ . 1 . 2]" 1
237 1 13 LEU MD1 1 24 ALA H 2.955 . 4.029 3.601 3.442 3.770 . 0 0 "[ . 1 . 2]" 1
238 1 13 LEU MD1 1 24 ALA MB 2.326 . 2.925 2.728 2.515 2.971 0.046 10 0 "[ . 1 . 2]" 1
239 1 13 LEU MD1 1 25 THR H 3.612 . 5.112 4.431 4.300 4.590 . 0 0 "[ . 1 . 2]" 1
240 1 13 LEU MD1 1 26 VAL H 3.219 . 4.404 3.561 3.444 3.697 . 0 0 "[ . 1 . 2]" 1
241 1 13 LEU MD2 1 14 LYS H 2.595 . 3.437 2.844 2.736 2.952 . 0 0 "[ . 1 . 2]" 1
242 1 13 LEU MD2 1 26 VAL MG2 2.221 . 2.763 2.864 2.799 2.905 0.142 14 0 "[ . 1 . 2]" 1
243 1 13 LEU MD2 1 32 ASP H 3.817 . 5.638 6.037 5.993 6.113 0.475 11 0 "[ . 1 . 2]" 1
244 1 13 LEU MD2 1 53 PHE H 2.603 . 3.435 3.082 2.938 3.324 . 0 0 "[ . 1 . 2]" 1
245 1 13 LEU HG 1 24 ALA H 3.222 . 4.520 4.453 4.269 4.615 0.095 4 0 "[ . 1 . 2]" 1
246 1 13 LEU HG 1 53 PHE H 3.429 . 4.899 4.667 4.172 4.788 . 0 0 "[ . 1 . 2]" 1
247 1 14 LYS H 1 14 LYS HA 2.698 . 3.521 2.918 2.908 2.932 . 0 0 "[ . 1 . 2]" 1
248 1 14 LYS H 1 15 VAL H 3.141 . 4.267 4.345 4.294 4.383 0.116 7 0 "[ . 1 . 2]" 1
249 1 14 LYS H 1 24 ALA MB 3.121 . 4.339 4.587 4.456 4.765 0.426 12 0 "[ . 1 . 2]" 1
250 1 14 LYS H 1 51 LEU HA 3.992 . 5.831 5.104 3.667 5.785 . 0 0 "[ . 1 . 2]" 1
251 1 14 LYS H 1 52 VAL H 2.693 . 3.584 3.343 2.696 3.686 0.102 20 0 "[ . 1 . 2]" 1
252 1 14 LYS H 1 52 VAL HA 3.817 . 5.613 5.198 4.831 5.586 . 0 0 "[ . 1 . 2]" 1
253 1 14 LYS H 1 52 VAL MG2 2.586 . 3.422 3.293 3.050 3.648 0.226 9 0 "[ . 1 . 2]" 1
254 1 14 LYS H 1 53 PHE HA 3.148 . 4.280 3.407 2.824 4.112 . 0 0 "[ . 1 . 2]" 1
255 1 14 LYS H 1 53 PHE HB3 3.380 . 4.689 4.483 3.498 4.844 0.155 4 0 "[ . 1 . 2]" 1
256 1 14 LYS HA 1 14 LYS QG 2.363 . 2.982 2.366 2.181 2.733 . 0 0 "[ . 1 . 2]" 1
257 1 14 LYS HA 1 15 VAL H 2.140 . 2.650 2.184 2.084 2.346 . 0 0 "[ . 1 . 2]" 1
258 1 14 LYS HA 1 22 MET H 2.965 . 3.965 3.909 3.672 4.035 0.070 13 0 "[ . 1 . 2]" 1
259 1 14 LYS HA 1 23 ASP H 3.424 . 4.767 3.194 2.786 3.484 . 0 0 "[ . 1 . 2]" 1
260 1 14 LYS HA 1 24 ALA H 2.549 . 3.281 2.813 2.541 3.225 . 0 0 "[ . 1 . 2]" 1
261 1 14 LYS QB 1 15 VAL H 2.797 . 3.683 3.106 2.471 3.522 . 0 0 "[ . 1 . 2]" 1
262 1 14 LYS QB 1 21 ALA MB 2.333 . 2.935 2.506 1.901 3.106 0.171 9 0 "[ . 1 . 2]" 1
263 1 14 LYS QB 1 23 ASP H 3.313 . 4.570 4.417 4.100 4.487 . 0 0 "[ . 1 . 2]" 1
264 1 14 LYS QB 1 52 VAL H 2.958 . 4.034 3.286 2.381 3.793 . 0 0 "[ . 1 . 2]" 1
265 1 14 LYS QB 1 52 VAL MG2 2.230 . 2.851 1.836 1.677 1.964 . 0 0 "[ . 1 . 2]" 1
266 1 14 LYS QB 1 53 PHE H 3.789 . 5.558 5.094 4.291 5.316 . 0 0 "[ . 1 . 2]" 1
267 1 14 LYS HE3 1 15 VAL H 3.715 . 5.440 4.707 3.592 5.046 . 0 0 "[ . 1 . 2]" 1
268 1 14 LYS QG 1 15 VAL H 2.301 . 2.894 2.720 1.973 2.975 0.081 16 0 "[ . 1 . 2]" 1
269 1 14 LYS QG 1 21 ALA MB 2.167 . 2.683 2.270 1.626 2.743 0.060 16 0 "[ . 1 . 2]" 1
270 1 14 LYS QG 1 22 MET H 2.758 . 3.620 2.607 2.089 2.933 . 0 0 "[ . 1 . 2]" 1
271 1 14 LYS QG 1 23 ASP H 2.740 . 3.590 3.171 2.788 3.604 0.014 12 0 "[ . 1 . 2]" 1
272 1 15 VAL H 1 15 VAL HA 2.887 . 3.833 2.908 2.896 2.920 . 0 0 "[ . 1 . 2]" 1
273 1 15 VAL H 1 15 VAL HB 2.427 . 3.089 3.044 2.785 3.197 0.108 1 0 "[ . 1 . 2]" 1
274 1 15 VAL H 1 15 VAL MG1 2.331 . 2.998 2.081 1.787 2.385 . 0 0 "[ . 1 . 2]" 1
275 1 15 VAL H 1 15 VAL MG2 2.611 . 3.463 3.535 3.433 3.645 0.182 14 0 "[ . 1 . 2]" 1
276 1 15 VAL H 1 15 VAL MG2 2.603 . 3.450 3.624 3.502 3.736 0.286 20 0 "[ . 1 . 2]" 1
277 1 15 VAL H 1 16 LYS HA 3.979 . 5.806 4.480 3.772 5.066 . 0 0 "[ . 1 . 2]" 1
278 1 15 VAL H 1 16 LYS QE 3.702 . 5.415 5.605 5.441 5.729 0.314 10 0 "[ . 1 . 2]" 1
279 1 15 VAL H 1 21 ALA HA 3.027 . 4.071 3.998 3.657 4.229 0.158 4 0 "[ . 1 . 2]" 1
280 1 15 VAL H 1 22 MET HB2 3.251 . 4.554 4.521 3.912 4.631 0.077 4 0 "[ . 1 . 2]" 1
281 1 15 VAL H 1 22 MET HB3 2.990 . 4.008 3.216 2.722 3.434 . 0 0 "[ . 1 . 2]" 1
282 1 15 VAL H 1 22 MET QG 3.365 . 4.760 4.528 3.939 4.769 0.009 7 0 "[ . 1 . 2]" 1
283 1 15 VAL H 1 24 ALA H 3.121 . 4.234 4.168 3.898 4.321 0.087 7 0 "[ . 1 . 2]" 1
284 1 15 VAL H 1 24 ALA MB 2.787 . 3.667 3.317 3.073 3.487 . 0 0 "[ . 1 . 2]" 1
285 1 15 VAL HA 1 16 LYS H 2.359 . 2.983 2.657 2.096 3.302 0.319 11 0 "[ . 1 . 2]" 1
286 1 15 VAL HA 1 22 MET H 2.706 . 3.606 3.776 3.667 3.884 0.278 16 0 "[ . 1 . 2]" 1
287 1 15 VAL HB 1 15 VAL MG1 1.887 . 2.274 2.130 2.121 2.141 . 0 0 "[ . 1 . 2]" 1
288 1 15 VAL HB 1 15 VAL MG2 2.213 . 2.752 2.126 2.120 2.132 . 0 0 "[ . 1 . 2]" 1
289 1 15 VAL MG1 1 16 LYS H 2.455 . 3.133 2.893 2.117 3.409 0.276 5 0 "[ . 1 . 2]" 1
290 1 15 VAL MG1 1 17 ALA H 3.373 . 4.676 3.005 1.985 3.495 . 0 0 "[ . 1 . 2]" 1
291 1 15 VAL MG1 1 17 ALA MB 2.420 . 2.524 2.365 1.795 2.673 0.149 7 0 "[ . 1 . 2]" 1
292 1 15 VAL MG2 1 16 LYS H 2.409 . 3.061 2.607 1.945 3.278 0.217 9 0 "[ . 1 . 2]" 1
293 1 15 VAL MG2 1 17 ALA H 3.009 . 4.040 3.867 3.081 4.190 0.150 19 0 "[ . 1 . 2]" 1
294 1 15 VAL MG2 1 17 ALA MB 2.407 . 3.050 3.002 2.311 3.190 0.140 8 0 "[ . 1 . 2]" 1
295 1 16 LYS H 1 16 LYS HA 2.480 . 3.173 2.611 2.217 2.904 . 0 0 "[ . 1 . 2]" 1
296 1 16 LYS H 1 16 LYS HB2 2.447 . 3.120 2.850 2.144 3.545 0.425 16 0 "[ . 1 . 2]" 1
297 1 16 LYS H 1 16 LYS HB3 2.365 . 2.993 2.970 2.484 3.374 0.381 11 0 "[ . 1 . 2]" 1
298 1 16 LYS H 1 16 LYS QE 3.857 . 5.691 3.767 2.185 4.549 . 0 0 "[ . 1 . 2]" 1
299 1 16 LYS H 1 17 ALA H 3.197 . 3.835 3.681 3.275 4.059 0.224 19 0 "[ . 1 . 2]" 1
300 1 16 LYS H 1 21 ALA HA 2.803 . 3.694 3.452 2.776 3.928 0.234 10 0 "[ . 1 . 2]" 1
301 1 16 LYS H 1 21 ALA MB 3.220 . 4.406 4.180 3.631 4.611 0.205 19 0 "[ . 1 . 2]" 1
302 1 16 LYS HA 1 16 LYS HB2 2.606 . 3.363 2.484 2.224 2.803 . 0 0 "[ . 1 . 2]" 1
303 1 16 LYS HA 1 16 LYS HB3 2.548 . 3.271 2.872 2.332 2.989 . 0 0 "[ . 1 . 2]" 1
304 1 16 LYS HA 1 16 LYS QG 2.599 . 3.353 2.574 2.003 3.294 . 0 0 "[ . 1 . 2]" 1
305 1 16 LYS HA 1 17 ALA H 2.121 . 2.297 2.153 1.967 2.503 0.206 8 0 "[ . 1 . 2]" 1
306 1 16 LYS HA 1 21 ALA HA 2.682 . 3.486 1.887 1.751 2.177 0.032 1 0 "[ . 1 . 2]" 1
307 1 16 LYS HA 1 21 ALA MB 2.571 . 3.309 3.399 3.226 3.507 0.198 4 0 "[ . 1 . 2]" 1
308 1 16 LYS HA 1 22 MET H 2.688 . 3.506 3.472 3.253 3.593 0.087 19 0 "[ . 1 . 2]" 1
309 1 16 LYS HB2 1 17 ALA H 2.981 . 4.075 4.339 3.573 4.611 0.536 13 6 "[ ** . 1 +** -]" 1
310 1 16 LYS QE 1 17 ALA H 3.764 . 5.510 4.761 3.314 5.387 . 0 0 "[ . 1 . 2]" 1
311 1 16 LYS QG 1 17 ALA H 2.831 . 3.741 3.595 3.217 4.024 0.283 5 0 "[ . 1 . 2]" 1
312 1 17 ALA H 1 17 ALA MB 2.219 . 2.768 2.420 2.264 2.737 . 0 0 "[ . 1 . 2]" 1
313 1 17 ALA H 1 20 ASN H 3.344 . 4.625 3.946 3.533 4.474 . 0 0 "[ . 1 . 2]" 1
314 1 17 ALA H 1 20 ASN QB 3.293 . 4.534 4.373 4.169 4.472 . 0 0 "[ . 1 . 2]" 1
315 1 17 ALA H 1 21 ALA HA 2.561 . 3.299 3.233 2.911 3.403 0.104 16 0 "[ . 1 . 2]" 1
316 1 17 ALA H 1 22 MET H 3.080 . 4.162 3.822 3.074 4.289 0.127 7 0 "[ . 1 . 2]" 1
317 1 17 ALA H 1 22 MET ME 3.696 . 5.269 3.657 2.821 4.692 . 0 0 "[ . 1 . 2]" 1
318 1 17 ALA H 1 22 MET QG 3.612 . 5.112 4.661 3.993 5.008 . 0 0 "[ . 1 . 2]" 1
319 1 17 ALA HA 1 17 ALA MB 2.092 . 2.541 2.128 2.122 2.135 . 0 0 "[ . 1 . 2]" 1
320 1 17 ALA HA 1 18 GLY H 3.285 . 4.520 2.207 2.120 2.376 . 0 0 "[ . 1 . 2]" 1
321 1 17 ALA MB 1 20 ASN H 3.531 . 4.962 4.819 4.294 5.050 0.088 9 0 "[ . 1 . 2]" 1
322 1 17 ALA MB 1 22 MET ME 2.350 . 2.963 2.495 1.758 3.061 0.098 17 0 "[ . 1 . 2]" 1
323 1 17 ALA MB 1 43 SER H 3.849 . 5.701 5.403 4.529 6.035 0.334 18 0 "[ . 1 . 2]" 1
324 1 18 GLY HA2 1 20 ASN H 3.352 . 4.639 4.262 4.092 4.718 0.079 17 0 "[ . 1 . 2]" 1
325 1 18 GLY HA3 1 20 ASN H 3.321 . 3.694 3.590 3.363 3.729 0.035 19 0 "[ . 1 . 2]" 1
326 1 19 GLN HA 1 19 GLN QB 1.643 . 1.981 2.281 2.246 2.334 0.353 15 0 "[ . 1 . 2]" 1
327 1 19 GLN HA 1 19 GLN QG 1.856 . 2.230 2.314 2.269 2.354 0.124 9 0 "[ . 1 . 2]" 1
328 1 19 GLN HA 1 20 ASN H 3.039 . 4.091 3.325 2.869 3.506 . 0 0 "[ . 1 . 2]" 1
329 1 19 GLN QB 1 20 ASN H 3.438 . 4.794 3.218 2.735 3.824 . 0 0 "[ . 1 . 2]" 1
330 1 19 GLN QG 1 20 ASN H 3.436 . 4.791 4.053 3.619 4.629 . 0 0 "[ . 1 . 2]" 1
331 1 19 GLN QG 1 20 ASN QD 3.910 . 5.673 3.615 2.604 5.340 . 0 0 "[ . 1 . 2]" 1
332 1 20 ASN H 1 20 ASN HA 2.741 . 3.593 2.893 2.195 2.944 . 0 0 "[ . 1 . 2]" 1
333 1 20 ASN H 1 20 ASN QB 2.497 . 3.199 2.497 2.247 2.805 . 0 0 "[ . 1 . 2]" 1
334 1 20 ASN HA 1 20 ASN QB 2.122 . 2.685 2.359 2.077 2.504 . 0 0 "[ . 1 . 2]" 1
335 1 20 ASN HA 1 20 ASN QD 3.420 . 4.760 3.179 1.906 4.005 0.060 4 0 "[ . 1 . 2]" 1
336 1 20 ASN HA 1 21 ALA H 2.474 . 2.785 2.248 2.082 2.457 . 0 0 "[ . 1 . 2]" 1
337 1 20 ASN QB 1 20 ASN QD 2.701 . 3.526 2.271 2.118 2.705 . 0 0 "[ . 1 . 2]" 1
338 1 20 ASN QB 1 21 ALA H 3.017 . 4.053 2.887 2.345 3.701 . 0 0 "[ . 1 . 2]" 1
339 1 21 ALA H 1 21 ALA MB 2.756 . 3.085 2.266 2.212 2.739 . 0 0 "[ . 1 . 2]" 1
340 1 21 ALA H 1 22 MET H 3.773 . 4.183 4.436 3.881 4.519 0.336 11 0 "[ . 1 . 2]" 1
341 1 21 ALA HA 1 21 ALA MB 2.493 . 2.763 2.118 2.094 2.135 . 0 0 "[ . 1 . 2]" 1
342 1 21 ALA HA 1 22 MET H 2.022 . 2.476 2.238 2.008 2.546 0.070 4 0 "[ . 1 . 2]" 1
343 1 21 ALA MB 1 22 MET H 2.344 . 2.960 2.608 2.025 3.106 0.146 19 0 "[ . 1 . 2]" 1
344 1 22 MET H 1 22 MET HB2 2.659 . 3.458 2.958 2.593 3.363 . 0 0 "[ . 1 . 2]" 1
345 1 22 MET H 1 22 MET HB3 2.266 . 2.840 2.588 2.273 2.854 0.014 17 0 "[ . 1 . 2]" 1
346 1 22 MET H 1 23 ASP H 3.287 . 4.022 2.545 2.060 2.998 . 0 0 "[ . 1 . 2]" 1
347 1 22 MET H 1 23 ASP HB2 3.825 . 5.510 5.075 4.544 5.991 0.481 17 0 "[ . 1 . 2]" 1
348 1 22 MET HB2 1 22 MET QG 2.508 . 2.997 2.314 2.251 2.475 . 0 0 "[ . 1 . 2]" 1
349 1 22 MET HB2 1 23 ASP H 2.500 . 3.203 3.293 3.218 3.415 0.212 9 0 "[ . 1 . 2]" 1
350 1 22 MET HB3 1 22 MET QG 2.324 . 2.922 2.177 2.131 2.358 . 0 0 "[ . 1 . 2]" 1
351 1 22 MET HB3 1 23 ASP H 2.386 . 3.025 1.748 1.626 1.943 0.048 18 0 "[ . 1 . 2]" 1
352 1 22 MET ME 1 22 MET QG 2.418 . 3.067 2.347 2.251 2.513 . 0 0 "[ . 1 . 2]" 1
353 1 22 MET QG 1 23 ASP H 2.105 . 2.659 2.735 2.143 2.965 0.306 7 0 "[ . 1 . 2]" 1
354 1 22 MET QG 1 41 GLY H 3.573 . 5.040 4.702 4.416 5.056 0.016 14 0 "[ . 1 . 2]" 1
355 1 23 ASP H 1 23 ASP HA 2.094 . 2.582 2.536 2.281 2.656 0.074 3 0 "[ . 1 . 2]" 1
356 1 23 ASP H 1 24 ALA H 3.047 . 4.105 3.874 3.426 4.105 . 0 0 "[ . 1 . 2]" 1
357 1 23 ASP H 1 24 ALA MB 3.213 . 4.392 3.476 3.023 3.760 . 0 0 "[ . 1 . 2]" 1
358 1 23 ASP H 1 39 ASN HB2 3.010 . 4.041 4.027 3.546 4.607 0.566 1 1 "[+ . 1 . 2]" 1
359 1 23 ASP HA 1 24 ALA H 2.517 . 3.231 2.253 2.041 2.391 . 0 0 "[ . 1 . 2]" 1
360 1 23 ASP HB2 1 39 ASN HD21 3.044 . 4.099 3.101 2.056 4.096 . 0 0 "[ . 1 . 2]" 1
361 1 23 ASP HB2 1 39 ASN HD22 3.088 . 4.175 4.117 2.726 4.933 0.758 7 3 "[ *. + 1 - 2]" 1
362 1 23 ASP HB3 1 24 ALA H 2.680 . 3.563 3.648 2.973 4.168 0.605 7 2 "[ -. + 1 . 2]" 1
363 1 23 ASP HB3 1 39 ASN HD21 3.111 . 4.216 2.791 1.882 3.888 0.019 19 0 "[ . 1 . 2]" 1
364 1 23 ASP HB3 1 39 ASN HD22 3.474 . 4.860 3.968 3.290 4.913 0.053 1 0 "[ . 1 . 2]" 1
365 1 24 ALA H 1 24 ALA HA 2.447 . 3.120 2.889 2.862 2.933 . 0 0 "[ . 1 . 2]" 1
366 1 24 ALA H 1 24 ALA MB 2.317 . 2.919 2.624 2.380 2.742 . 0 0 "[ . 1 . 2]" 1
367 1 24 ALA H 1 25 THR H 3.329 . 4.271 4.360 4.320 4.413 0.142 9 0 "[ . 1 . 2]" 1
368 1 24 ALA H 1 36 VAL HB 3.543 . 4.985 5.000 4.848 5.107 0.122 15 0 "[ . 1 . 2]" 1
369 1 24 ALA H 1 36 VAL QG 2.892 . 3.937 4.154 3.915 4.300 0.363 15 0 "[ . 1 . 2]" 1
370 1 24 ALA H 1 39 ASN HB2 3.867 . 5.592 4.687 4.264 5.334 . 0 0 "[ . 1 . 2]" 1
371 1 24 ALA HA 1 24 ALA MB 2.290 . 2.833 2.108 2.099 2.120 . 0 0 "[ . 1 . 2]" 1
372 1 24 ALA HA 1 25 THR H 2.055 . 2.524 2.326 2.286 2.355 . 0 0 "[ . 1 . 2]" 1
373 1 24 ALA HA 1 37 GLN H 3.037 . 4.087 4.180 4.140 4.232 0.145 14 0 "[ . 1 . 2]" 1
374 1 24 ALA HA 1 38 LEU H 3.789 . 5.444 4.697 4.520 4.941 . 0 0 "[ . 1 . 2]" 1
375 1 24 ALA MB 1 25 THR H 2.397 . 2.643 2.698 2.674 2.728 0.085 11 0 "[ . 1 . 2]" 1
376 1 24 ALA MB 1 36 VAL HB 2.144 . 2.718 2.329 2.169 2.474 . 0 0 "[ . 1 . 2]" 1
377 1 24 ALA MB 1 36 VAL QG 1.880 . 2.263 1.548 1.507 1.568 0.122 4 0 "[ . 1 . 2]" 1
378 1 24 ALA MB 1 38 LEU H 3.422 . 4.764 3.751 3.577 3.995 . 0 0 "[ . 1 . 2]" 1
379 1 24 ALA MB 1 38 LEU QD 2.039 . 2.421 2.562 2.512 2.653 0.232 6 0 "[ . 1 . 2]" 1
380 1 25 THR H 1 25 THR HA 2.550 . 3.283 2.952 2.942 2.964 . 0 0 "[ . 1 . 2]" 1
381 1 25 THR H 1 25 THR HB 2.395 . 3.039 2.552 2.524 2.575 . 0 0 "[ . 1 . 2]" 1
382 1 25 THR H 1 26 VAL H 3.151 . 4.284 4.410 4.380 4.446 0.162 16 0 "[ . 1 . 2]" 1
383 1 25 THR H 1 26 VAL MG2 3.854 . 5.566 5.125 5.056 5.190 . 0 0 "[ . 1 . 2]" 1
384 1 25 THR H 1 36 VAL HA 3.073 . 4.151 4.279 4.256 4.312 0.161 10 0 "[ . 1 . 2]" 1
385 1 25 THR H 1 36 VAL HB 2.573 . 3.319 2.613 2.513 2.714 . 0 0 "[ . 1 . 2]" 1
386 1 25 THR H 1 36 VAL QG 2.633 . 3.417 3.238 3.162 3.290 . 0 0 "[ . 1 . 2]" 1
387 1 25 THR H 1 37 GLN H 2.521 . 3.090 2.157 2.079 2.265 . 0 0 "[ . 1 . 2]" 1
388 1 25 THR H 1 37 GLN HA 3.375 . 4.681 4.083 3.992 4.190 . 0 0 "[ . 1 . 2]" 1
389 1 25 THR H 1 37 GLN HB2 2.706 . 3.534 3.691 3.379 4.292 0.758 14 1 "[ . 1 +. 2]" 1
390 1 25 THR H 1 37 GLN QG 3.481 . 4.871 4.439 3.851 4.619 . 0 0 "[ . 1 . 2]" 1
391 1 25 THR H 1 38 LEU H 3.824 . 5.508 4.584 4.475 4.714 . 0 0 "[ . 1 . 2]" 1
392 1 25 THR H 1 38 LEU HA 3.375 . 4.681 3.908 3.793 4.073 . 0 0 "[ . 1 . 2]" 1
393 1 25 THR H 1 39 ASN H 3.526 . 4.953 4.944 4.736 5.138 0.185 2 0 "[ . 1 . 2]" 1
394 1 25 THR H 1 39 ASN HA 3.830 . 5.664 5.780 5.689 5.838 0.174 17 0 "[ . 1 . 2]" 1
395 1 25 THR HA 1 25 THR HB 2.925 . 3.888 2.998 2.994 3.004 . 0 0 "[ . 1 . 2]" 1
396 1 25 THR HA 1 25 THR MG 2.248 . 2.805 2.424 2.377 2.453 . 0 0 "[ . 1 . 2]" 1
397 1 25 THR HA 1 26 VAL H 2.069 . 2.545 2.169 2.153 2.185 . 0 0 "[ . 1 . 2]" 1
398 1 25 THR HB 1 25 THR MG 2.106 . 2.530 2.123 2.117 2.125 . 0 0 "[ . 1 . 2]" 1
399 1 25 THR MG 1 26 VAL H 2.424 . 3.083 2.425 2.359 2.529 . 0 0 "[ . 1 . 2]" 1
400 1 25 THR MG 1 27 LEU H 3.635 . 5.154 4.484 4.274 4.589 . 0 0 "[ . 1 . 2]" 1
401 1 25 THR MG 1 27 LEU QD 2.389 . 3.023 2.564 2.428 2.663 . 0 0 "[ . 1 . 2]" 1
402 1 25 THR MG 1 37 GLN H 2.567 . 3.391 3.768 3.737 3.807 0.416 10 0 "[ . 1 . 2]" 1
403 1 26 VAL H 1 26 VAL HA 2.417 . 3.074 2.796 2.777 2.815 . 0 0 "[ . 1 . 2]" 1
404 1 26 VAL H 1 26 VAL HB 2.228 . 2.782 2.483 2.461 2.498 . 0 0 "[ . 1 . 2]" 1
405 1 26 VAL H 1 26 VAL MG1 2.394 . 3.111 3.060 2.881 3.124 0.013 16 0 "[ . 1 . 2]" 1
406 1 26 VAL H 1 26 VAL MG2 2.103 . 2.645 2.106 2.011 2.185 . 0 0 "[ . 1 . 2]" 1
407 1 26 VAL H 1 27 LEU H 3.425 . 4.614 4.462 4.396 4.489 . 0 0 "[ . 1 . 2]" 1
408 1 26 VAL H 1 27 LEU HA 3.994 . 5.836 5.509 5.455 5.571 . 0 0 "[ . 1 . 2]" 1
409 1 26 VAL H 1 36 VAL HB 3.507 . 4.918 3.949 3.802 4.050 . 0 0 "[ . 1 . 2]" 1
410 1 26 VAL HA 1 26 VAL MG1 2.332 . 2.933 2.353 2.333 2.376 . 0 0 "[ . 1 . 2]" 1
411 1 26 VAL HA 1 26 VAL MG2 2.153 . 2.662 2.296 2.270 2.319 . 0 0 "[ . 1 . 2]" 1
412 1 26 VAL HA 1 27 LEU H 2.219 . 2.768 2.107 2.069 2.141 . 0 0 "[ . 1 . 2]" 1
413 1 26 VAL HA 1 28 GLU H 2.670 . 3.475 3.601 3.567 3.631 0.156 7 0 "[ . 1 . 2]" 1
414 1 26 VAL HA 1 35 ARG H 3.683 . 5.244 4.484 4.337 4.569 . 0 0 "[ . 1 . 2]" 1
415 1 26 VAL HA 1 36 VAL H 3.152 . 4.394 4.262 4.180 4.375 . 0 0 "[ . 1 . 2]" 1
416 1 26 VAL HA 1 36 VAL HA 2.755 . 3.606 1.890 1.830 1.975 . 0 0 "[ . 1 . 2]" 1
417 1 26 VAL HA 1 36 VAL QG 2.395 . 3.031 2.258 2.007 2.381 . 0 0 "[ . 1 . 2]" 1
418 1 26 VAL HA 1 37 GLN H 2.709 . 3.539 3.558 3.500 3.626 0.087 6 0 "[ . 1 . 2]" 1
419 1 26 VAL HB 1 26 VAL MG1 2.221 . 2.763 2.134 2.131 2.137 . 0 0 "[ . 1 . 2]" 1
420 1 26 VAL HB 1 26 VAL MG2 2.022 . 2.469 2.138 2.132 2.143 . 0 0 "[ . 1 . 2]" 1
421 1 26 VAL HB 1 27 LEU H 3.390 . 4.707 4.280 4.242 4.351 . 0 0 "[ . 1 . 2]" 1
422 1 26 VAL HB 1 28 GLU H 3.754 . 5.377 5.175 5.115 5.255 . 0 0 "[ . 1 . 2]" 1
423 1 26 VAL MG1 1 26 VAL MG2 1.734 . 2.057 2.103 2.097 2.108 0.051 8 0 "[ . 1 . 2]" 1
424 1 26 VAL MG1 1 28 GLU H 2.334 . 2.944 2.714 2.641 2.785 . 0 0 "[ . 1 . 2]" 1
425 1 26 VAL MG2 1 34 VAL HB 2.224 . 2.842 3.131 3.051 3.193 0.351 20 0 "[ . 1 . 2]" 1
426 1 26 VAL MG2 1 34 VAL MG1 1.794 . 2.141 1.688 1.664 1.709 . 0 0 "[ . 1 . 2]" 1
427 1 26 VAL MG2 1 37 GLN H 3.760 . 5.387 4.734 4.650 4.808 . 0 0 "[ . 1 . 2]" 1
428 1 27 LEU H 1 27 LEU HA 2.832 . 3.743 2.941 2.918 2.954 . 0 0 "[ . 1 . 2]" 1
429 1 27 LEU H 1 27 LEU HB2 2.426 . 3.087 2.351 2.254 2.672 . 0 0 "[ . 1 . 2]" 1
430 1 27 LEU H 1 27 LEU QD 2.354 . 2.976 2.638 2.505 2.905 . 0 0 "[ . 1 . 2]" 1
431 1 27 LEU H 1 28 GLU H 2.426 . 2.869 2.045 1.941 2.229 . 0 0 "[ . 1 . 2]" 1
432 1 27 LEU H 1 28 GLU HA 3.691 . 5.258 4.664 4.615 4.811 . 0 0 "[ . 1 . 2]" 1
433 1 27 LEU H 1 28 GLU QB 2.777 . 3.741 3.842 3.757 3.924 0.183 19 0 "[ . 1 . 2]" 1
434 1 27 LEU H 1 29 ILE HG12 3.310 . 4.679 4.922 4.863 5.103 0.424 14 0 "[ . 1 . 2]" 1
435 1 27 LEU H 1 35 ARG H 3.534 . 4.967 4.198 4.102 4.441 . 0 0 "[ . 1 . 2]" 1
436 1 27 LEU H 1 36 VAL H 3.625 . 5.136 4.424 4.356 4.494 . 0 0 "[ . 1 . 2]" 1
437 1 27 LEU H 1 36 VAL HA 2.528 . 3.247 2.085 2.017 2.187 . 0 0 "[ . 1 . 2]" 1
438 1 27 LEU H 1 37 GLN H 3.052 . 4.113 3.812 3.533 3.923 . 0 0 "[ . 1 . 2]" 1
439 1 27 LEU H 1 37 GLN HB2 3.311 . 4.565 4.622 4.352 4.690 0.125 18 0 "[ . 1 . 2]" 1
440 1 27 LEU HA 1 27 LEU HB2 2.348 . 2.958 2.997 2.987 3.004 0.046 16 0 "[ . 1 . 2]" 1
441 1 27 LEU HA 1 28 GLU H 2.812 . 3.709 3.501 3.464 3.535 . 0 0 "[ . 1 . 2]" 1
442 1 27 LEU HB2 1 27 LEU QD 2.287 . 2.864 2.042 2.012 2.206 . 0 0 "[ . 1 . 2]" 1
443 1 27 LEU HB2 1 28 GLU H 2.308 . 2.905 2.720 2.643 2.806 . 0 0 "[ . 1 . 2]" 1
444 1 27 LEU HB3 1 27 LEU QD 2.242 . 2.797 2.524 2.080 2.566 . 0 0 "[ . 1 . 2]" 1
445 1 27 LEU QD 1 27 LEU HG 2.012 . 2.455 1.890 1.877 1.893 . 0 0 "[ . 1 . 2]" 1
446 1 27 LEU QD 1 37 GLN HB2 2.279 . 2.853 1.774 1.588 1.895 0.042 14 0 "[ . 1 . 2]" 1
447 1 27 LEU QD 1 43 SER QB 2.079 . 2.553 2.491 2.343 2.562 0.009 14 0 "[ . 1 . 2]" 1
448 1 28 GLU H 1 28 GLU HA 2.510 . 3.220 2.867 2.848 2.882 . 0 0 "[ . 1 . 2]" 1
449 1 28 GLU H 1 28 GLU QB 2.236 . 2.861 2.773 2.682 2.883 0.022 12 0 "[ . 1 . 2]" 1
450 1 28 GLU H 1 29 ILE H 3.189 . 4.008 4.174 4.155 4.198 0.190 6 0 "[ . 1 . 2]" 1
451 1 28 GLU H 1 29 ILE HG12 2.939 . 3.922 3.923 3.841 3.955 0.033 7 0 "[ . 1 . 2]" 1
452 1 28 GLU H 1 29 ILE HG13 3.236 . 4.545 4.797 4.767 4.830 0.285 7 0 "[ . 1 . 2]" 1
453 1 28 GLU H 1 34 VAL MG1 2.445 . 3.179 3.166 3.041 3.208 0.029 12 0 "[ . 1 . 2]" 1
454 1 28 GLU H 1 35 ARG H 2.803 . 3.564 3.252 3.200 3.302 . 0 0 "[ . 1 . 2]" 1
455 1 28 GLU H 1 35 ARG HA 3.591 . 5.072 4.966 4.894 5.058 . 0 0 "[ . 1 . 2]" 1
456 1 28 GLU H 1 35 ARG QB 2.391 . 3.032 3.144 3.036 3.180 0.148 14 0 "[ . 1 . 2]" 1
457 1 28 GLU H 1 36 VAL HA 3.055 . 4.118 3.681 3.615 3.724 . 0 0 "[ . 1 . 2]" 1
458 1 28 GLU H 1 37 GLN H 3.946 . 5.744 5.739 5.606 5.774 0.030 5 0 "[ . 1 . 2]" 1
459 1 28 GLU HA 1 29 ILE H 1.962 . 2.387 2.337 2.278 2.367 . 0 0 "[ . 1 . 2]" 1
460 1 28 GLU QB 1 29 ILE H 2.461 . 3.218 3.006 2.353 3.314 0.096 20 0 "[ . 1 . 2]" 1
461 1 29 ILE H 1 29 ILE HB 2.224 . 2.776 2.603 2.551 2.674 . 0 0 "[ . 1 . 2]" 1
462 1 29 ILE H 1 29 ILE HG12 2.622 . 3.399 3.156 3.076 3.221 . 0 0 "[ . 1 . 2]" 1
463 1 29 ILE H 1 29 ILE HG13 2.598 . 3.361 2.778 2.687 2.870 . 0 0 "[ . 1 . 2]" 1
464 1 29 ILE H 1 30 THR H 3.176 . 4.417 4.501 4.476 4.525 0.108 13 0 "[ . 1 . 2]" 1
465 1 29 ILE H 1 30 THR HA 3.755 . 5.379 4.961 4.852 5.030 . 0 0 "[ . 1 . 2]" 1
466 1 29 ILE H 1 35 ARG H 3.914 . 5.681 4.359 4.257 4.467 . 0 0 "[ . 1 . 2]" 1
467 1 29 ILE HA 1 29 ILE MD 2.545 . 3.266 3.356 3.340 3.370 0.104 14 0 "[ . 1 . 2]" 1
468 1 29 ILE HA 1 29 ILE MG 2.145 . 2.563 2.374 2.353 2.393 . 0 0 "[ . 1 . 2]" 1
469 1 29 ILE HA 1 30 THR H 1.967 . 2.394 2.364 2.315 2.396 0.002 14 0 "[ . 1 . 2]" 1
470 1 29 ILE HA 1 35 ARG H 2.730 . 3.574 2.438 2.353 2.546 . 0 0 "[ . 1 . 2]" 1
471 1 29 ILE HB 1 29 ILE MD 2.066 . 2.533 2.655 2.646 2.667 0.134 12 0 "[ . 1 . 2]" 1
472 1 29 ILE HB 1 29 ILE HG12 2.392 . 3.027 2.952 2.947 2.964 . 0 0 "[ . 1 . 2]" 1
473 1 29 ILE HB 1 29 ILE HG13 2.479 . 3.162 2.250 2.244 2.256 . 0 0 "[ . 1 . 2]" 1
474 1 29 ILE HB 1 29 ILE MG 2.104 . 2.490 2.108 2.101 2.115 . 0 0 "[ . 1 . 2]" 1
475 1 29 ILE HB 1 30 THR H 2.688 . 3.506 3.598 3.570 3.620 0.114 7 0 "[ . 1 . 2]" 1
476 1 29 ILE MD 1 29 ILE HG12 2.298 . 2.743 2.098 2.086 2.108 . 0 0 "[ . 1 . 2]" 1
477 1 29 ILE MD 1 29 ILE HG13 2.171 . 2.689 2.100 2.092 2.104 . 0 0 "[ . 1 . 2]" 1
478 1 29 ILE MD 1 29 ILE MG 1.821 . 2.180 1.666 1.640 1.684 . 0 0 "[ . 1 . 2]" 1
479 1 29 ILE MD 1 30 THR H 2.801 . 3.781 4.128 4.062 4.176 0.395 1 0 "[ . 1 . 2]" 1
480 1 29 ILE MD 1 34 VAL MG1 1.692 . 1.999 2.135 2.109 2.155 0.156 7 0 "[ . 1 . 2]" 1
481 1 29 ILE HG12 1 29 ILE MG 2.386 . 2.680 2.688 2.651 2.707 0.027 7 0 "[ . 1 . 2]" 1
482 1 29 ILE HG12 1 30 THR H 3.135 . 4.257 4.275 4.237 4.305 0.048 14 0 "[ . 1 . 2]" 1
483 1 29 ILE HG12 1 35 ARG H 3.071 . 4.146 3.681 3.573 3.787 . 0 0 "[ . 1 . 2]" 1
484 1 29 ILE HG13 1 29 ILE MG 2.127 . 2.693 3.056 3.043 3.068 0.375 7 0 "[ . 1 . 2]" 1
485 1 29 ILE MG 1 30 THR H 2.112 . 2.659 1.851 1.776 1.925 . 0 0 "[ . 1 . 2]" 1
486 1 29 ILE MG 1 30 THR HA 2.841 . 3.748 3.756 3.668 3.823 0.075 6 0 "[ . 1 . 2]" 1
487 1 29 ILE MG 1 32 ASP H 3.599 . 5.087 4.115 4.023 4.178 . 0 0 "[ . 1 . 2]" 1
488 1 30 THR H 1 30 THR HA 2.406 . 3.056 2.949 2.943 2.956 . 0 0 "[ . 1 . 2]" 1
489 1 30 THR H 1 30 THR MG 2.246 . 2.810 2.637 2.567 2.730 . 0 0 "[ . 1 . 2]" 1
490 1 30 THR H 1 32 ASP H 2.980 . 3.991 3.905 3.819 4.021 0.030 11 0 "[ . 1 . 2]" 1
491 1 30 THR H 1 33 GLY H 2.840 . 3.633 3.876 3.851 3.896 0.263 12 0 "[ . 1 . 2]" 1
492 1 30 THR H 1 34 VAL H 2.990 . 4.007 4.079 4.051 4.107 0.100 20 0 "[ . 1 . 2]" 1
493 1 30 THR H 1 34 VAL HA 2.413 . 3.067 2.030 1.985 2.067 . 0 0 "[ . 1 . 2]" 1
494 1 30 THR H 1 35 ARG H 3.169 . 4.074 4.084 4.023 4.126 0.052 13 0 "[ . 1 . 2]" 1
495 1 30 THR H 1 45 ILE MG 3.442 . 4.801 4.837 4.723 4.873 0.072 13 0 "[ . 1 . 2]" 1
496 1 30 THR HA 1 30 THR HB 2.368 . 2.989 2.398 2.383 2.422 . 0 0 "[ . 1 . 2]" 1
497 1 30 THR HA 1 30 THR MG 2.287 . 2.864 2.427 2.390 2.484 . 0 0 "[ . 1 . 2]" 1
498 1 30 THR HA 1 32 ASP H 3.133 . 4.342 4.408 4.373 4.457 0.115 4 0 "[ . 1 . 2]" 1
499 1 30 THR HA 1 33 GLY H 3.478 . 4.865 4.990 4.930 5.016 0.151 2 0 "[ . 1 . 2]" 1
500 1 30 THR HB 1 30 THR MG 2.136 . 2.636 2.132 2.127 2.138 . 0 0 "[ . 1 . 2]" 1
501 1 30 THR HB 1 32 ASP H 2.673 . 3.481 3.567 3.526 3.594 0.113 11 0 "[ . 1 . 2]" 1
502 1 30 THR HB 1 33 GLY H 3.083 . 4.167 3.844 3.787 3.895 . 0 0 "[ . 1 . 2]" 1
503 1 30 THR MG 1 32 ASP H 3.141 . 4.266 4.334 4.292 4.383 0.117 16 0 "[ . 1 . 2]" 1
504 1 30 THR MG 1 33 GLY H 3.179 . 4.333 4.045 3.924 4.144 . 0 0 "[ . 1 . 2]" 1
505 1 30 THR MG 1 35 ARG H 2.923 . 3.895 3.330 3.235 3.471 . 0 0 "[ . 1 . 2]" 1
506 1 30 THR MG 1 36 VAL H 3.706 . 5.287 5.408 5.328 5.472 0.185 8 0 "[ . 1 . 2]" 1
507 1 31 LYS HA 1 31 LYS HB2 2.216 . 2.757 2.694 2.269 2.968 0.211 6 0 "[ . 1 . 2]" 1
508 1 31 LYS HA 1 31 LYS HB3 2.045 . 2.503 2.557 2.256 2.967 0.464 1 0 "[ . 1 . 2]" 1
509 1 31 LYS HA 1 32 ASP H 2.711 . 3.543 3.481 3.457 3.502 . 0 0 "[ . 1 . 2]" 1
510 1 31 LYS HB3 1 32 ASP H 2.716 . 3.550 3.685 2.593 4.366 0.816 7 5 "[ . + 1* -.* * 2]" 1
511 1 31 LYS HB3 1 33 GLY H 3.590 . 5.071 4.869 3.469 5.712 0.641 11 3 "[ . - 1+ .* 2]" 1
512 1 32 ASP H 1 32 ASP HA 2.455 . 3.132 2.867 2.823 2.905 . 0 0 "[ . 1 . 2]" 1
513 1 32 ASP H 1 32 ASP HB2 2.711 . 3.543 3.179 2.721 3.789 0.246 11 0 "[ . 1 . 2]" 1
514 1 32 ASP H 1 32 ASP HB3 2.457 . 3.136 3.302 3.094 3.695 0.559 17 1 "[ . 1 . + 2]" 1
515 1 32 ASP H 1 33 GLY H 2.124 . 2.688 1.471 1.425 1.546 0.135 20 0 "[ . 1 . 2]" 1
516 1 32 ASP H 1 33 GLY HA2 3.609 . 5.105 4.210 4.169 4.269 . 0 0 "[ . 1 . 2]" 1
517 1 32 ASP H 1 48 ALA MB 2.870 . 3.806 4.023 3.936 4.060 0.254 7 0 "[ . 1 . 2]" 1
518 1 32 ASP H 1 51 LEU QD 3.713 . 5.298 5.181 4.826 5.282 . 0 0 "[ . 1 . 2]" 1
519 1 32 ASP HA 1 33 GLY H 2.780 . 3.655 3.407 3.320 3.449 . 0 0 "[ . 1 . 2]" 1
520 1 32 ASP HA 1 48 ALA H 3.480 . 4.973 5.016 4.864 5.101 0.128 20 0 "[ . 1 . 2]" 1
521 1 32 ASP HB2 1 33 GLY H 3.157 . 4.294 3.658 2.871 3.866 . 0 0 "[ . 1 . 2]" 1
522 1 32 ASP HB3 1 33 GLY H 2.967 . 3.970 3.187 2.818 3.935 . 0 0 "[ . 1 . 2]" 1
523 1 33 GLY H 1 33 GLY HA2 2.284 . 2.867 2.912 2.905 2.919 0.052 10 0 "[ . 1 . 2]" 1
524 1 33 GLY H 1 33 GLY HA3 2.372 . 3.002 2.382 2.368 2.402 . 0 0 "[ . 1 . 2]" 1
525 1 33 GLY H 1 34 VAL H 3.108 . 4.111 4.077 4.007 4.130 0.019 1 0 "[ . 1 . 2]" 1
526 1 33 GLY HA2 1 34 VAL H 2.254 . 2.822 2.913 2.892 2.939 0.117 4 0 "[ . 1 . 2]" 1
527 1 33 GLY HA2 1 34 VAL MG2 2.552 . 3.278 2.760 2.704 2.841 . 0 0 "[ . 1 . 2]" 1
528 1 33 GLY HA2 1 46 VAL H 3.645 . 5.172 5.255 5.184 5.299 0.127 6 0 "[ . 1 . 2]" 1
529 1 33 GLY HA2 1 47 ARG HA 2.815 . 3.513 3.414 3.236 3.611 0.098 8 0 "[ . 1 . 2]" 1
530 1 33 GLY HA3 1 34 VAL H 2.218 . 2.767 2.233 2.191 2.279 . 0 0 "[ . 1 . 2]" 1
531 1 33 GLY HA3 1 45 ILE MG 2.368 . 3.069 3.449 3.410 3.486 0.417 10 0 "[ . 1 . 2]" 1
532 1 33 GLY HA3 1 46 VAL H 3.450 . 4.815 4.236 4.173 4.330 . 0 0 "[ . 1 . 2]" 1
533 1 33 GLY HA3 1 48 ALA H 3.027 . 4.155 3.115 2.912 3.318 . 0 0 "[ . 1 . 2]" 1
534 1 34 VAL H 1 34 VAL HA 2.451 . 3.126 2.865 2.858 2.872 . 0 0 "[ . 1 . 2]" 1
535 1 34 VAL H 1 34 VAL HB 2.177 . 2.770 3.116 3.082 3.169 0.399 12 0 "[ . 1 . 2]" 1
536 1 34 VAL H 1 34 VAL MG2 2.113 . 2.609 2.291 2.258 2.363 . 0 0 "[ . 1 . 2]" 1
537 1 34 VAL H 1 35 ARG H 3.447 . 4.164 4.304 4.291 4.319 0.155 19 0 "[ . 1 . 2]" 1
538 1 34 VAL H 1 45 ILE MD 2.673 . 3.481 3.534 3.504 3.576 0.095 20 0 "[ . 1 . 2]" 1
539 1 34 VAL H 1 45 ILE MG 2.535 . 3.259 1.963 1.910 2.015 . 0 0 "[ . 1 . 2]" 1
540 1 34 VAL H 1 46 VAL H 2.536 . 3.260 2.795 2.756 2.868 . 0 0 "[ . 1 . 2]" 1
541 1 34 VAL H 1 46 VAL HB 3.980 . 5.807 5.694 5.347 5.825 0.018 12 0 "[ . 1 . 2]" 1
542 1 34 VAL HA 1 34 VAL MG1 2.460 . 3.131 2.145 2.095 2.184 . 0 0 "[ . 1 . 2]" 1
543 1 34 VAL HA 1 34 VAL MG2 2.365 . 2.593 2.772 2.745 2.804 0.211 12 0 "[ . 1 . 2]" 1
544 1 34 VAL HA 1 35 ARG H 2.092 . 2.577 2.469 2.452 2.529 . 0 0 "[ . 1 . 2]" 1
545 1 34 VAL HA 1 46 VAL H 3.360 . 4.772 5.024 4.961 5.136 0.364 12 0 "[ . 1 . 2]" 1
546 1 34 VAL HB 1 34 VAL MG1 2.011 . 2.452 2.116 2.107 2.123 . 0 0 "[ . 1 . 2]" 1
547 1 34 VAL HB 1 34 VAL MG2 1.986 . 2.415 2.120 2.116 2.136 . 0 0 "[ . 1 . 2]" 1
548 1 34 VAL HB 1 35 ARG H 2.279 . 2.917 2.731 2.487 2.856 . 0 0 "[ . 1 . 2]" 1
549 1 34 VAL HB 1 46 VAL H 2.976 . 3.984 4.133 4.115 4.162 0.178 12 0 "[ . 1 . 2]" 1
550 1 34 VAL QG 1 36 VAL H 2.636 . 3.505 3.407 3.237 3.529 0.024 18 0 "[ . 1 . 2]" 1
551 1 34 VAL MG1 1 35 ARG H 2.225 . 2.831 1.729 1.669 1.795 . 0 0 "[ . 1 . 2]" 1
552 1 34 VAL MG1 1 36 VAL H 2.645 . 3.520 3.189 3.149 3.261 . 0 0 "[ . 1 . 2]" 1
553 1 34 VAL MG1 1 45 ILE HB 2.442 . 3.188 3.285 3.187 3.464 0.276 12 0 "[ . 1 . 2]" 1
554 1 34 VAL MG2 1 45 ILE MD 1.886 . 2.272 2.170 2.096 2.448 0.176 12 0 "[ . 1 . 2]" 1
555 1 35 ARG H 1 35 ARG HA 2.789 . 3.672 2.932 2.923 2.944 . 0 0 "[ . 1 . 2]" 1
556 1 35 ARG H 1 35 ARG QB 2.388 . 3.088 2.574 2.499 2.746 . 0 0 "[ . 1 . 2]" 1
557 1 35 ARG H 1 36 VAL H 3.493 . 4.893 3.621 3.455 3.733 . 0 0 "[ . 1 . 2]" 1
558 1 35 ARG H 1 36 VAL QG 2.736 . 3.583 3.487 3.375 3.563 . 0 0 "[ . 1 . 2]" 1
559 1 35 ARG H 1 46 VAL H 3.819 . 5.499 5.257 5.187 5.364 . 0 0 "[ . 1 . 2]" 1
560 1 35 ARG HA 1 35 ARG QB 2.630 . 3.402 2.327 2.289 2.370 . 0 0 "[ . 1 . 2]" 1
561 1 35 ARG HA 1 36 VAL H 2.155 . 2.673 2.131 2.080 2.260 . 0 0 "[ . 1 . 2]" 1
562 1 35 ARG HA 1 36 VAL QG 2.667 . 3.462 3.228 3.168 3.337 . 0 0 "[ . 1 . 2]" 1
563 1 35 ARG HA 1 44 LEU H 2.949 . 3.939 3.135 2.969 3.487 . 0 0 "[ . 1 . 2]" 1
564 1 35 ARG HA 1 44 LEU HA 2.872 . 3.903 3.023 2.862 3.270 . 0 0 "[ . 1 . 2]" 1
565 1 35 ARG HA 1 45 ILE H 3.303 . 4.552 3.422 3.279 3.896 . 0 0 "[ . 1 . 2]" 1
566 1 35 ARG HA 1 46 VAL H 2.599 . 3.444 3.746 3.680 3.851 0.407 12 0 "[ . 1 . 2]" 1
567 1 35 ARG QB 1 36 VAL H 2.469 . 3.231 3.393 3.203 3.567 0.336 11 0 "[ . 1 . 2]" 1
568 1 35 ARG QB 1 44 LEU H 3.030 . 4.178 4.093 3.743 4.253 0.075 16 0 "[ . 1 . 2]" 1
569 1 36 VAL H 1 36 VAL HA 2.937 . 3.918 2.904 2.887 2.925 . 0 0 "[ . 1 . 2]" 1
570 1 36 VAL H 1 36 VAL HB 2.791 . 3.675 3.591 3.584 3.618 . 0 0 "[ . 1 . 2]" 1
571 1 36 VAL H 1 36 VAL QG 2.095 . 2.583 1.737 1.708 1.769 . 0 0 "[ . 1 . 2]" 1
572 1 36 VAL H 1 37 GLN H 3.502 . 4.589 4.485 4.453 4.519 . 0 0 "[ . 1 . 2]" 1
573 1 36 VAL H 1 37 GLN HA 3.899 . 5.652 5.234 5.133 5.394 . 0 0 "[ . 1 . 2]" 1
574 1 36 VAL H 1 43 SER HA 3.380 . 4.689 4.371 4.192 4.699 0.010 12 0 "[ . 1 . 2]" 1
575 1 36 VAL H 1 44 LEU H 2.676 . 3.268 2.715 2.486 2.985 . 0 0 "[ . 1 . 2]" 1
576 1 36 VAL H 1 45 ILE H 3.820 . 5.500 2.511 2.365 2.940 . 0 0 "[ . 1 . 2]" 1
577 1 36 VAL H 1 45 ILE HA 2.709 . 3.626 3.796 3.720 3.884 0.258 13 0 "[ . 1 . 2]" 1
578 1 36 VAL H 1 45 ILE MG 3.432 . 4.783 2.836 2.732 2.992 . 0 0 "[ . 1 . 2]" 1
579 1 36 VAL H 1 46 VAL H 3.236 . 4.421 4.236 4.146 4.347 . 0 0 "[ . 1 . 2]" 1
580 1 36 VAL HA 1 36 VAL HB 2.536 . 3.252 2.402 2.385 2.416 . 0 0 "[ . 1 . 2]" 1
581 1 36 VAL HA 1 36 VAL QG 2.367 . 2.988 2.353 2.312 2.367 . 0 0 "[ . 1 . 2]" 1
582 1 36 VAL HA 1 37 GLN H 2.202 . 2.743 2.465 2.438 2.495 . 0 0 "[ . 1 . 2]" 1
583 1 36 VAL HA 1 44 LEU H 3.513 . 4.929 4.321 4.233 4.408 . 0 0 "[ . 1 . 2]" 1
584 1 36 VAL HB 1 36 VAL QG 2.209 . 2.590 1.880 1.874 1.884 . 0 0 "[ . 1 . 2]" 1
585 1 36 VAL QG 1 37 GLN H 2.303 . 2.897 2.828 2.794 2.871 . 0 0 "[ . 1 . 2]" 1
586 1 36 VAL QG 1 44 LEU H 2.136 . 2.706 2.387 2.251 2.493 . 0 0 "[ . 1 . 2]" 1
587 1 36 VAL QG 1 38 LEU HG 2.311 . 2.979 3.073 2.977 3.204 0.225 9 0 "[ . 1 . 2]" 1
588 1 36 VAL QG 1 44 LEU H 2.128 . 2.694 2.708 2.550 2.782 0.088 17 0 "[ . 1 . 2]" 1
589 1 36 VAL QG 1 45 ILE H 2.312 . 2.911 1.715 1.643 1.837 0.001 10 0 "[ . 1 . 2]" 1
590 1 36 VAL QG 1 45 ILE HG13 1.764 . 2.100 1.798 1.754 1.866 . 0 0 "[ . 1 . 2]" 1
591 1 36 VAL QG 1 45 ILE MG 2.412 . 2.622 2.326 2.239 2.473 . 0 0 "[ . 1 . 2]" 1
592 1 37 GLN H 1 37 GLN HA 2.778 . 3.653 2.917 2.898 2.928 . 0 0 "[ . 1 . 2]" 1
593 1 37 GLN H 1 37 GLN HB2 2.384 . 3.021 2.527 2.348 2.816 . 0 0 "[ . 1 . 2]" 1
594 1 37 GLN H 1 37 GLN HB3 2.181 . 2.711 2.593 2.316 2.810 0.099 20 0 "[ . 1 . 2]" 1
595 1 37 GLN H 1 37 GLN QG 3.038 . 4.191 3.965 3.877 4.023 . 0 0 "[ . 1 . 2]" 1
596 1 37 GLN H 1 43 SER HA 3.716 . 5.304 4.379 4.244 4.510 . 0 0 "[ . 1 . 2]" 1
597 1 37 GLN H 1 44 LEU H 3.512 . 4.928 4.886 4.766 5.041 0.113 7 0 "[ . 1 . 2]" 1
598 1 37 GLN HA 1 37 GLN HB2 2.533 . 3.247 2.602 2.410 2.706 . 0 0 "[ . 1 . 2]" 1
599 1 37 GLN HA 1 37 GLN HB3 2.631 . 3.404 3.021 2.982 3.043 . 0 0 "[ . 1 . 2]" 1
600 1 37 GLN HA 1 38 LEU H 2.113 . 2.609 2.164 2.110 2.195 . 0 0 "[ . 1 . 2]" 1
601 1 37 GLN HA 1 38 LEU QD 2.472 . 3.151 3.144 2.954 3.267 0.116 8 0 "[ . 1 . 2]" 1
602 1 37 GLN HA 1 42 MET H 3.833 . 5.526 4.935 4.686 5.194 . 0 0 "[ . 1 . 2]" 1
603 1 37 GLN HA 1 43 SER H 3.321 . 4.583 4.190 3.298 4.762 0.179 7 0 "[ . 1 . 2]" 1
604 1 37 GLN HA 1 43 SER HA 3.016 . 3.342 2.309 2.150 2.641 . 0 0 "[ . 1 . 2]" 1
605 1 37 GLN HA 1 43 SER QB 2.724 . 3.555 2.888 2.358 3.228 . 0 0 "[ . 1 . 2]" 1
606 1 37 GLN HA 1 44 LEU H 2.659 . 3.543 3.956 3.820 4.338 0.795 7 3 "[ . +* 1 . - 2]" 1
607 1 37 GLN QE 1 37 GLN QG 2.803 . 3.694 2.490 2.099 2.693 . 0 0 "[ . 1 . 2]" 1
608 1 37 GLN QE 1 41 GLY H 3.646 . 5.174 4.567 3.927 5.054 . 0 0 "[ . 1 . 2]" 1
609 1 37 GLN QG 1 38 LEU H 2.856 . 3.783 3.337 2.962 3.759 . 0 0 "[ . 1 . 2]" 1
610 1 38 LEU H 1 38 LEU HA 2.960 . 3.956 2.838 2.804 2.858 . 0 0 "[ . 1 . 2]" 1
611 1 38 LEU H 1 38 LEU HB2 2.138 . 2.647 2.342 2.299 2.407 . 0 0 "[ . 1 . 2]" 1
612 1 38 LEU H 1 38 LEU QD 2.398 . 3.043 2.069 1.918 2.268 . 0 0 "[ . 1 . 2]" 1
613 1 38 LEU H 1 41 GLY H 3.481 . 4.435 4.175 3.830 4.426 . 0 0 "[ . 1 . 2]" 1
614 1 38 LEU H 1 41 GLY HA2 3.784 . 5.433 4.561 3.394 5.220 . 0 0 "[ . 1 . 2]" 1
615 1 38 LEU H 1 42 MET H 3.225 . 4.335 3.018 2.744 3.260 . 0 0 "[ . 1 . 2]" 1
616 1 38 LEU H 1 42 MET HA 3.435 . 4.788 4.547 4.253 4.918 0.130 8 0 "[ . 1 . 2]" 1
617 1 38 LEU H 1 43 SER H 3.716 . 5.306 3.058 1.876 3.976 0.114 10 0 "[ . 1 . 2]" 1
618 1 38 LEU H 1 43 SER HA 2.644 . 3.434 2.383 2.116 2.604 . 0 0 "[ . 1 . 2]" 1
619 1 38 LEU H 1 43 SER QB 3.132 . 4.251 3.852 3.232 4.198 . 0 0 "[ . 1 . 2]" 1
620 1 38 LEU H 1 44 LEU H 3.178 . 4.332 4.264 4.077 4.383 0.051 16 0 "[ . 1 . 2]" 1
621 1 38 LEU HA 1 38 LEU QD 2.348 . 2.958 2.536 2.383 2.603 . 0 0 "[ . 1 . 2]" 1
622 1 38 LEU HA 1 39 ASN H 2.925 . 3.898 2.095 2.014 2.241 . 0 0 "[ . 1 . 2]" 1
623 1 38 LEU HA 1 41 GLY H 2.848 . 3.862 4.045 3.955 4.101 0.239 1 0 "[ . 1 . 2]" 1
624 1 38 LEU HA 1 42 MET H 2.895 . 3.847 4.058 3.989 4.137 0.290 2 0 "[ . 1 . 2]" 1
625 1 38 LEU HB2 1 38 LEU QD 2.216 . 2.497 2.141 2.105 2.197 . 0 0 "[ . 1 . 2]" 1
626 1 38 LEU HB2 1 39 ASN H 2.847 . 3.860 4.039 3.933 4.107 0.247 17 0 "[ . 1 . 2]" 1
627 1 38 LEU HB2 1 41 GLY H 2.628 . 3.407 3.077 2.967 3.160 . 0 0 "[ . 1 . 2]" 1
628 1 38 LEU QD 1 38 LEU HG 2.207 . 2.322 1.871 1.862 1.883 . 0 0 "[ . 1 . 2]" 1
629 1 38 LEU QD 1 39 ASN H 3.120 . 4.230 3.915 3.830 4.066 . 0 0 "[ . 1 . 2]" 1
630 1 38 LEU QD 1 40 SER HB2 2.459 . 3.131 2.907 2.145 3.209 0.078 10 0 "[ . 1 . 2]" 1
631 1 38 LEU QD 1 41 GLY H 3.438 . 4.793 4.117 4.013 4.242 . 0 0 "[ . 1 . 2]" 1
632 1 38 LEU QD 1 42 MET H 2.763 . 3.628 3.080 2.886 3.177 . 0 0 "[ . 1 . 2]" 1
633 1 38 LEU QD 1 42 MET QB 1.913 . 2.310 1.770 1.620 1.896 . 0 0 "[ . 1 . 2]" 1
634 1 38 LEU QD 1 42 MET ME 2.021 . 2.467 2.175 1.797 2.571 0.104 8 0 "[ . 1 . 2]" 1
635 1 38 LEU QD 1 42 MET QG 2.370 . 2.993 2.486 1.788 2.852 . 0 0 "[ . 1 . 2]" 1
636 1 38 LEU QD 1 43 SER H 3.043 . 4.099 2.286 1.802 2.698 0.083 2 0 "[ . 1 . 2]" 1
637 1 38 LEU QD 1 43 SER HA 2.790 . 3.663 2.142 2.002 2.339 . 0 0 "[ . 1 . 2]" 1
638 1 38 LEU QD 1 44 LEU HB3 2.240 . 2.867 2.401 2.116 2.566 . 0 0 "[ . 1 . 2]" 1
639 1 38 LEU HG 1 42 MET H 3.234 . 4.430 4.539 4.466 4.601 0.171 12 0 "[ . 1 . 2]" 1
640 1 38 LEU HG 1 43 SER H 3.907 . 5.668 4.921 3.830 5.687 0.019 15 0 "[ . 1 . 2]" 1
641 1 39 ASN H 1 39 ASN HB2 2.909 . 3.870 2.407 2.160 2.665 . 0 0 "[ . 1 . 2]" 1
642 1 39 ASN HA 1 39 ASN HB2 2.194 . 2.723 2.561 2.393 2.962 0.239 17 0 "[ . 1 . 2]" 1
643 1 39 ASN HA 1 39 ASN HD21 3.777 . 5.420 3.616 2.905 4.476 . 0 0 "[ . 1 . 2]" 1
644 1 39 ASN HA 1 39 ASN HD22 4.029 . 5.904 4.208 3.801 4.750 . 0 0 "[ . 1 . 2]" 1
645 1 39 ASN HB2 1 39 ASN HD21 2.801 . 3.690 2.310 2.161 2.904 . 0 0 "[ . 1 . 2]" 1
646 1 39 ASN HB2 1 39 ASN HD22 2.678 . 3.490 3.509 3.431 3.768 0.278 20 0 "[ . 1 . 2]" 1
647 1 39 ASN HB2 1 41 GLY H 3.520 . 4.942 5.033 4.735 5.245 0.303 1 0 "[ . 1 . 2]" 1
648 1 40 SER H 1 41 GLY H 3.766 . 5.400 2.531 2.477 2.665 . 0 0 "[ . 1 . 2]" 1
649 1 40 SER HA 1 40 SER HB2 2.442 . 2.805 2.997 2.939 3.022 0.217 18 0 "[ . 1 . 2]" 1
650 1 40 SER HA 1 40 SER HB3 2.362 . 2.979 2.438 2.279 2.559 . 0 0 "[ . 1 . 2]" 1
651 1 40 SER HA 1 41 GLY H 2.855 . 3.781 3.387 3.294 3.433 . 0 0 "[ . 1 . 2]" 1
652 1 40 SER HA 1 42 MET H 3.528 . 4.958 4.950 4.767 5.038 0.080 16 0 "[ . 1 . 2]" 1
653 1 40 SER HB2 1 41 GLY H 3.377 . 4.683 3.072 2.851 3.356 . 0 0 "[ . 1 . 2]" 1
654 1 40 SER HB2 1 42 MET H 3.326 . 4.592 3.162 2.790 3.572 . 0 0 "[ . 1 . 2]" 1
655 1 40 SER HB3 1 41 GLY H 3.454 . 4.821 4.066 3.890 4.213 . 0 0 "[ . 1 . 2]" 1
656 1 40 SER HB3 1 42 MET H 3.202 . 4.374 4.482 4.416 4.619 0.245 13 0 "[ . 1 . 2]" 1
657 1 41 GLY H 1 41 GLY HA2 2.183 . 2.714 2.365 2.305 2.425 . 0 0 "[ . 1 . 2]" 1
658 1 41 GLY H 1 41 GLY HA3 2.253 . 2.821 2.917 2.861 2.940 0.119 6 0 "[ . 1 . 2]" 1
659 1 41 GLY H 1 42 MET H 2.355 . 2.966 2.244 2.070 2.610 . 0 0 "[ . 1 . 2]" 1
660 1 41 GLY HA2 1 42 MET H 2.671 . 3.548 3.001 2.852 3.131 . 0 0 "[ . 1 . 2]" 1
661 1 42 MET H 1 42 MET HA 2.261 . 2.831 2.915 2.893 2.932 0.101 6 0 "[ . 1 . 2]" 1
662 1 42 MET H 1 42 MET QB 2.311 . 2.447 2.340 2.200 2.609 0.162 2 0 "[ . 1 . 2]" 1
663 1 42 MET H 1 43 SER H 3.041 . 4.094 3.508 2.278 4.272 0.178 15 0 "[ . 1 . 2]" 1
664 1 42 MET HA 1 42 MET QB 2.269 . 2.706 2.346 2.219 2.472 . 0 0 "[ . 1 . 2]" 1
665 1 42 MET HA 1 42 MET QG 2.524 . 3.233 2.470 2.287 2.844 . 0 0 "[ . 1 . 2]" 1
666 1 42 MET QB 1 42 MET QG 2.372 . 2.922 2.055 2.003 2.082 . 0 0 "[ . 1 . 2]" 1
667 1 42 MET QB 1 43 SER H 2.325 . 2.931 2.444 1.835 2.706 . 0 0 "[ . 1 . 2]" 1
668 1 42 MET ME 1 42 MET QG 2.531 . 3.244 2.395 2.215 2.709 . 0 0 "[ . 1 . 2]" 1
669 1 42 MET QG 1 43 SER H 2.583 . 3.337 2.153 1.598 3.277 0.151 6 0 "[ . 1 . 2]" 1
670 1 43 SER H 1 43 SER HA 2.546 . 3.277 2.580 2.213 2.824 . 0 0 "[ . 1 . 2]" 1
671 1 43 SER H 1 44 LEU H 3.334 . 3.862 3.998 3.841 4.111 0.249 7 0 "[ . 1 . 2]" 1
672 1 43 SER HA 1 43 SER QB 2.440 . 2.988 2.283 2.154 2.363 . 0 0 "[ . 1 . 2]" 1
673 1 43 SER HA 1 44 LEU H 2.017 . 2.468 2.164 2.064 2.237 . 0 0 "[ . 1 . 2]" 1
674 1 43 SER QB 1 44 LEU H 2.577 . 2.838 2.988 2.924 3.065 0.227 2 0 "[ . 1 . 2]" 1
675 1 44 LEU H 1 44 LEU HA 2.447 . 3.120 2.743 2.690 2.824 . 0 0 "[ . 1 . 2]" 1
676 1 44 LEU H 1 44 LEU HB2 2.664 . 3.466 3.568 3.500 3.601 0.135 8 0 "[ . 1 . 2]" 1
677 1 44 LEU H 1 44 LEU HB3 2.595 . 3.355 3.331 3.137 3.417 0.062 9 0 "[ . 1 . 2]" 1
678 1 44 LEU H 1 45 ILE H 2.879 . 3.819 2.175 2.072 2.328 . 0 0 "[ . 1 . 2]" 1
679 1 44 LEU H 1 45 ILE MG 3.839 . 5.539 4.694 4.540 4.878 . 0 0 "[ . 1 . 2]" 1
680 1 44 LEU HB2 1 44 LEU MD2 2.205 . 2.740 2.415 2.371 2.460 . 0 0 "[ . 1 . 2]" 1
681 1 44 LEU HB3 1 44 LEU MD2 2.202 . 2.717 2.297 2.261 2.334 . 0 0 "[ . 1 . 2]" 1
682 1 44 LEU HB3 1 45 ILE H 2.127 . 2.693 2.732 2.453 2.792 0.099 17 0 "[ . 1 . 2]" 1
683 1 44 LEU HG 1 46 VAL H 3.626 . 5.246 3.978 3.810 4.187 . 0 0 "[ . 1 . 2]" 1
684 1 45 ILE H 1 45 ILE HB 2.056 . 2.585 2.718 2.681 2.791 0.206 12 0 "[ . 1 . 2]" 1
685 1 45 ILE H 1 45 ILE MG 2.600 . 3.445 3.650 3.589 3.729 0.284 12 0 "[ . 1 . 2]" 1
686 1 45 ILE H 1 46 VAL H 3.110 . 4.300 4.201 4.131 4.279 . 0 0 "[ . 1 . 2]" 1
687 1 45 ILE HB 1 45 ILE MD 2.276 . 2.848 2.706 2.649 3.132 0.284 12 0 "[ . 1 . 2]" 1
688 1 45 ILE HB 1 45 ILE HG12 2.379 . 3.086 2.928 2.406 2.970 . 0 0 "[ . 1 . 2]" 1
689 1 45 ILE HB 1 45 ILE MG 2.138 . 2.639 2.085 2.055 2.091 . 0 0 "[ . 1 . 2]" 1
690 1 45 ILE HB 1 46 VAL H 3.046 . 4.102 3.470 3.315 3.514 . 0 0 "[ . 1 . 2]" 1
691 1 45 ILE MD 1 45 ILE HG12 2.035 . 2.487 2.116 2.094 2.120 . 0 0 "[ . 1 . 2]" 1
692 1 45 ILE MD 1 45 ILE HG13 2.072 . 2.542 2.101 2.067 2.105 . 0 0 "[ . 1 . 2]" 1
693 1 45 ILE MD 1 45 ILE MG 1.946 . 2.358 1.761 1.723 1.826 . 0 0 "[ . 1 . 2]" 1
694 1 45 ILE MD 1 47 ARG H 2.826 . 3.824 3.872 3.206 4.141 0.317 7 0 "[ . 1 . 2]" 1
695 1 45 ILE HG12 1 45 ILE MG 2.415 . 3.062 2.697 2.635 3.073 0.011 12 0 "[ . 1 . 2]" 1
696 1 45 ILE HG12 1 46 VAL H 2.815 . 3.806 3.872 3.719 4.469 0.663 12 1 "[ . 1 + . 2]" 1
697 1 45 ILE HG13 1 45 ILE MG 2.088 . 2.633 3.009 2.151 3.072 0.439 14 0 "[ . 1 . 2]" 1
698 1 45 ILE MG 1 46 VAL H 2.340 . 3.025 1.551 1.410 1.573 0.245 12 0 "[ . 1 . 2]" 1
699 1 45 ILE MG 1 47 ARG H 3.891 . 5.636 4.240 4.145 4.413 . 0 0 "[ . 1 . 2]" 1
700 1 45 ILE MG 1 51 LEU H 3.650 . 5.182 5.200 4.844 5.328 0.146 4 0 "[ . 1 . 2]" 1
701 1 45 ILE MG 1 51 LEU QD 2.392 . 3.026 2.256 1.927 2.444 . 0 0 "[ . 1 . 2]" 1
702 1 46 VAL H 1 46 VAL QG 2.154 . 2.734 2.858 2.652 2.903 0.169 8 0 "[ . 1 . 2]" 1
703 1 46 VAL H 1 47 ARG H 3.128 . 4.333 4.294 4.264 4.347 0.014 7 0 "[ . 1 . 2]" 1
704 1 46 VAL HA 1 47 ARG H 2.060 . 2.591 2.808 2.635 2.880 0.289 15 0 "[ . 1 . 2]" 1
705 1 46 VAL HB 1 47 ARG H 2.344 . 3.031 3.281 1.599 3.426 0.395 12 0 "[ . 1 . 2]" 1
706 1 46 VAL QG 1 47 ARG H 2.610 . 3.461 1.622 1.530 2.662 0.229 10 0 "[ . 1 . 2]" 1
707 1 46 VAL QG 1 49 GLU H 3.209 . 4.385 4.153 4.012 4.410 0.025 7 0 "[ . 1 . 2]" 1
708 1 46 VAL QG 1 51 LEU H 3.026 . 4.069 2.823 2.654 3.040 . 0 0 "[ . 1 . 2]" 1
709 1 47 ARG H 1 47 ARG HA 2.600 . 3.363 2.932 2.898 2.951 . 0 0 "[ . 1 . 2]" 1
710 1 47 ARG H 1 47 ARG QB 2.422 . 3.080 2.381 2.155 2.611 . 0 0 "[ . 1 . 2]" 1
711 1 47 ARG H 1 48 ALA H 3.328 . 4.596 4.481 4.434 4.540 . 0 0 "[ . 1 . 2]" 1
712 1 47 ARG H 1 50 HIS H 3.506 . 4.916 4.458 4.251 4.605 . 0 0 "[ . 1 . 2]" 1
713 1 47 ARG H 1 50 HIS HA 3.689 . 5.390 5.590 5.481 5.696 0.306 6 0 "[ . 1 . 2]" 1
714 1 47 ARG H 1 50 HIS HB2 2.961 . 3.958 3.148 2.631 3.913 . 0 0 "[ . 1 . 2]" 1
715 1 47 ARG H 1 50 HIS HB3 3.368 . 4.668 3.157 2.680 3.692 . 0 0 "[ . 1 . 2]" 1
716 1 47 ARG H 1 50 HIS HD2 3.384 . 4.696 4.739 4.665 4.809 0.113 10 0 "[ . 1 . 2]" 1
717 1 47 ARG HA 1 47 ARG QB 2.474 . 3.154 2.427 2.134 2.554 . 0 0 "[ . 1 . 2]" 1
718 1 47 ARG HA 1 47 ARG HG2 2.452 . 3.120 2.864 2.196 3.878 0.758 13 6 "[ *. * 1 *+ . - *2]" 1
719 1 47 ARG HA 1 48 ALA H 2.006 . 2.499 2.431 2.322 2.515 0.016 7 0 "[ . 1 . 2]" 1
720 1 47 ARG HA 1 49 GLU H 3.041 . 4.178 4.202 4.121 4.262 0.084 13 0 "[ . 1 . 2]" 1
721 1 47 ARG QB 1 48 ALA H 2.408 . 3.058 2.822 2.306 3.083 0.025 7 0 "[ . 1 . 2]" 1
722 1 47 ARG QB 1 49 GLU H 2.701 . 3.526 2.787 2.441 3.450 . 0 0 "[ . 1 . 2]" 1
723 1 47 ARG QD 1 48 ALA H 2.761 . 3.625 3.164 1.716 3.641 0.092 2 0 "[ . 1 . 2]" 1
724 1 47 ARG QD 1 49 GLU H 3.616 . 5.120 3.434 2.800 4.841 . 0 0 "[ . 1 . 2]" 1
725 1 47 ARG HG2 1 48 ALA H 2.726 . 3.655 2.992 1.548 4.483 0.828 13 4 "[ -. 1 *+ . *2]" 1
726 1 48 ALA H 1 48 ALA HA 2.355 . 2.977 2.816 2.739 2.856 . 0 0 "[ . 1 . 2]" 1
727 1 48 ALA H 1 48 ALA MB 1.986 . 2.423 2.184 2.148 2.217 . 0 0 "[ . 1 . 2]" 1
728 1 48 ALA H 1 49 GLU H 2.503 . 3.209 2.633 2.496 2.872 . 0 0 "[ . 1 . 2]" 1
729 1 48 ALA H 1 50 HIS H 3.916 . 4.919 4.364 4.217 4.549 . 0 0 "[ . 1 . 2]" 1
730 1 48 ALA HA 1 48 ALA MB 2.094 . 2.458 2.100 2.093 2.107 . 0 0 "[ . 1 . 2]" 1
731 1 48 ALA HA 1 49 GLU H 2.879 . 3.821 3.386 3.347 3.455 . 0 0 "[ . 1 . 2]" 1
732 1 48 ALA HA 1 50 HIS H 3.037 . 4.088 3.442 3.302 3.569 . 0 0 "[ . 1 . 2]" 1
733 1 48 ALA HA 1 51 LEU H 2.843 . 3.761 3.306 3.152 3.391 . 0 0 "[ . 1 . 2]" 1
734 1 48 ALA HA 1 51 LEU HG 2.544 . 3.353 2.032 1.834 2.162 . 0 0 "[ . 1 . 2]" 1
735 1 48 ALA MB 1 49 GLU H 2.272 . 2.849 2.960 2.834 2.998 0.149 7 0 "[ . 1 . 2]" 1
736 1 48 ALA MB 1 51 LEU H 3.118 . 4.333 4.542 4.466 4.595 0.262 2 0 "[ . 1 . 2]" 1
737 1 49 GLU H 1 49 GLU HA 2.320 . 2.923 2.904 2.884 2.914 . 0 0 "[ . 1 . 2]" 1
738 1 49 GLU H 1 49 GLU QB 2.150 . 2.665 2.450 2.319 2.706 0.041 7 0 "[ . 1 . 2]" 1
739 1 49 GLU H 1 50 HIS H 2.411 . 3.064 2.572 2.399 2.657 . 0 0 "[ . 1 . 2]" 1
740 1 49 GLU H 1 50 HIS HA 3.349 . 4.751 4.878 4.836 4.954 0.203 20 0 "[ . 1 . 2]" 1
741 1 49 GLU H 1 50 HIS HB2 3.563 . 5.020 3.845 3.544 4.389 . 0 0 "[ . 1 . 2]" 1
742 1 49 GLU H 1 51 LEU H 3.377 . 4.143 3.979 3.892 4.124 . 0 0 "[ . 1 . 2]" 1
743 1 49 GLU HA 1 49 GLU QB 2.125 . 2.267 2.321 2.161 2.392 0.125 16 0 "[ . 1 . 2]" 1
744 1 49 GLU HA 1 50 HIS H 2.093 . 2.641 2.872 2.813 2.969 0.328 18 0 "[ . 1 . 2]" 1
745 1 49 GLU HA 1 51 LEU H 2.983 . 3.996 4.100 4.032 4.158 0.162 15 0 "[ . 1 . 2]" 1
746 1 50 HIS H 1 50 HIS HA 2.481 . 3.173 2.886 2.857 2.916 . 0 0 "[ . 1 . 2]" 1
747 1 50 HIS H 1 50 HIS HB2 2.244 . 2.807 2.774 2.463 3.235 0.428 11 0 "[ . 1 . 2]" 1
748 1 50 HIS H 1 50 HIS HB3 2.369 . 3.071 3.128 2.632 3.461 0.390 4 0 "[ . 1 . 2]" 1
749 1 50 HIS H 1 50 HIS HD2 3.064 . 4.237 4.466 3.994 5.101 0.864 10 2 "[ . + . -]" 1
750 1 50 HIS H 1 51 LEU H 2.218 . 2.768 1.694 1.619 1.826 . 0 0 "[ . 1 . 2]" 1
751 1 50 HIS H 1 51 LEU HA 3.673 . 5.224 4.392 4.309 4.499 . 0 0 "[ . 1 . 2]" 1
752 1 50 HIS H 1 51 LEU QD 2.518 . 3.311 3.212 3.000 3.280 . 0 0 "[ . 1 . 2]" 1
753 1 50 HIS H 1 51 LEU HG 2.241 . 2.869 2.667 2.555 2.809 . 0 0 "[ . 1 . 2]" 1
754 1 50 HIS HA 1 51 LEU H 2.842 . 3.758 3.474 3.454 3.501 . 0 0 "[ . 1 . 2]" 1
755 1 50 HIS HB2 1 51 LEU H 2.942 . 3.927 3.622 3.208 4.114 0.187 6 0 "[ . 1 . 2]" 1
756 1 50 HIS HB3 1 51 LEU H 3.072 . 4.147 3.245 2.884 3.509 . 0 0 "[ . 1 . 2]" 1
757 1 51 LEU H 1 51 LEU HA 2.591 . 3.350 2.852 2.778 2.869 . 0 0 "[ . 1 . 2]" 1
758 1 51 LEU H 1 51 LEU HB2 2.441 . 3.186 3.405 2.985 3.483 0.297 15 0 "[ . 1 . 2]" 1
759 1 51 LEU H 1 51 LEU HB3 2.296 . 2.886 3.012 2.910 3.468 0.582 20 1 "[ . 1 . +]" 1
760 1 51 LEU H 1 51 LEU QD 2.267 . 2.897 2.396 2.243 2.481 . 0 0 "[ . 1 . 2]" 1
761 1 51 LEU H 1 51 LEU HG 2.208 . 2.807 1.673 1.581 1.873 0.017 7 0 "[ . 1 . 2]" 1
762 1 51 LEU H 1 52 VAL H 2.996 . 4.118 4.486 4.444 4.566 0.448 20 0 "[ . 1 . 2]" 1
763 1 51 LEU H 1 53 PHE QE 3.564 . 5.152 5.405 5.207 5.670 0.518 12 1 "[ . 1 + . 2]" 1
764 1 51 LEU HA 1 51 LEU QD 2.270 . 2.914 3.146 2.359 3.263 0.349 7 0 "[ . 1 . 2]" 1
765 1 51 LEU HA 1 52 VAL H 2.078 . 2.607 2.328 2.179 2.481 . 0 0 "[ . 1 . 2]" 1
766 1 51 LEU HA 1 53 PHE H 3.739 . 5.348 4.933 4.124 5.341 . 0 0 "[ . 1 . 2]" 1
767 1 51 LEU HB2 1 51 LEU QD 2.327 . 2.670 2.106 2.093 2.174 . 0 0 "[ . 1 . 2]" 1
768 1 51 LEU HB2 1 52 VAL H 2.593 . 3.351 2.635 2.275 3.376 0.025 20 0 "[ . 1 . 2]" 1
769 1 51 LEU HB2 1 53 PHE H 3.287 . 4.523 3.474 2.747 3.797 . 0 0 "[ . 1 . 2]" 1
770 1 51 LEU HB3 1 51 LEU QD 2.251 . 2.810 2.257 2.125 2.295 . 0 0 "[ . 1 . 2]" 1
771 1 51 LEU HB3 1 52 VAL H 2.824 . 3.729 3.538 2.922 3.748 0.019 9 0 "[ . 1 . 2]" 1
772 1 51 LEU HB3 1 53 PHE H 3.750 . 5.369 5.061 3.173 5.495 0.126 3 0 "[ . 1 . 2]" 1
773 1 51 LEU QD 1 51 LEU HG 2.049 . 2.509 1.879 1.874 1.883 . 0 0 "[ . 1 . 2]" 1
774 1 52 VAL H 1 52 VAL HA 2.593 . 3.352 2.917 2.887 2.937 . 0 0 "[ . 1 . 2]" 1
775 1 52 VAL H 1 52 VAL MG1 2.315 . 2.915 2.975 2.156 3.075 0.160 6 0 "[ . 1 . 2]" 1
776 1 52 VAL H 1 52 VAL MG2 2.209 . 2.754 2.219 2.066 3.304 0.550 3 1 "[ + . 1 . 2]" 1
777 1 52 VAL H 1 53 PHE H 3.153 . 4.178 3.300 2.742 3.662 . 0 0 "[ . 1 . 2]" 1
778 1 52 VAL HA 1 52 VAL HB 2.584 . 3.329 2.488 2.239 2.527 . 0 0 "[ . 1 . 2]" 1
779 1 52 VAL HA 1 52 VAL MG1 2.238 . 2.790 2.314 2.240 3.023 0.233 3 0 "[ . 1 . 2]" 1
780 1 52 VAL HA 1 52 VAL MG2 2.379 . 3.005 3.154 2.844 3.190 0.185 10 0 "[ . 1 . 2]" 1
781 1 52 VAL HA 1 53 PHE H 1.963 . 2.388 2.438 2.261 2.594 0.206 9 0 "[ . 1 . 2]" 1
782 1 52 VAL HB 1 52 VAL MG1 2.094 . 2.575 2.131 2.124 2.136 . 0 0 "[ . 1 . 2]" 1
783 1 52 VAL HB 1 52 VAL MG2 2.156 . 2.668 2.123 2.108 2.128 . 0 0 "[ . 1 . 2]" 1
784 1 52 VAL MG1 1 52 VAL MG2 1.886 . 2.272 2.061 2.035 2.080 . 0 0 "[ . 1 . 2]" 1
785 1 53 PHE H 1 53 PHE HA 2.436 . 3.103 2.801 2.770 2.854 . 0 0 "[ . 1 . 2]" 1
786 1 53 PHE H 1 53 PHE HB2 2.488 . 3.186 3.438 3.379 3.610 0.424 20 0 "[ . 1 . 2]" 1
787 1 53 PHE H 1 53 PHE HB3 2.727 . 3.569 2.991 2.569 3.196 . 0 0 "[ . 1 . 2]" 1
788 1 53 PHE H 1 53 PHE QD 2.694 . 3.515 2.025 1.697 2.553 0.090 9 0 "[ . 1 . 2]" 1
789 1 53 PHE HB2 1 53 PHE QD 2.553 . 3.131 2.720 2.521 2.766 . 0 0 "[ . 1 . 2]" 1
790 1 53 PHE HB3 1 53 PHE QD 2.529 . 3.242 2.418 2.293 2.748 . 0 0 "[ . 1 . 2]" 1
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