NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
474428 |
2klz   |
16405 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2klz
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 313
_Distance_constraint_stats_list.Viol_count 240
_Distance_constraint_stats_list.Viol_total 423.868
_Distance_constraint_stats_list.Viol_max 0.758
_Distance_constraint_stats_list.Viol_rms 0.0724
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0135
_Distance_constraint_stats_list.Viol_average_violations_only 0.1766
_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 SER 0.420 0.306 8 0 "[ . 1]"
1 3 LEU 2.898 0.610 6 1 "[ .+ 1]"
1 4 ASP 2.500 0.346 10 0 "[ . 1]"
1 5 GLU 1.908 0.515 10 2 "[ . - +]"
1 6 ASP 2.157 0.515 10 3 "[ - * +]"
1 7 GLU 1.090 0.227 5 0 "[ . 1]"
1 8 GLU 5.284 0.755 8 4 "[* . *+ -]"
1 9 ASP 2.418 0.272 10 0 "[ . 1]"
1 10 LEU 1.312 0.658 6 2 "[ .+- 1]"
1 11 GLN 0.339 0.166 7 0 "[ . 1]"
1 12 ARG 0.000 0.000 . 0 "[ . 1]"
1 13 ALA 0.099 0.099 6 0 "[ . 1]"
1 14 LEU 0.789 0.647 6 1 "[ .+ 1]"
1 15 ALA 0.460 0.210 3 0 "[ . 1]"
1 16 LEU 0.652 0.460 3 0 "[ . 1]"
1 17 SER 0.283 0.283 9 0 "[ . 1]"
1 18 ARG 2.114 0.318 4 0 "[ . 1]"
1 19 GLN 0.862 0.460 3 0 "[ . 1]"
1 20 GLU 1.596 0.172 7 0 "[ . 1]"
1 21 ILE 5.489 0.680 3 4 "[* + .* - 1]"
1 22 ASP 0.294 0.091 6 0 "[ . 1]"
1 23 MET 1.982 0.487 5 0 "[ . 1]"
1 25 ASP 0.377 0.152 4 0 "[ . 1]"
1 26 GLU 1.146 0.487 10 0 "[ . 1]"
1 27 GLU 1.454 0.708 2 2 "[ + . - 1]"
1 28 ALA 1.461 0.708 2 2 "[ + . - 1]"
1 29 ASP 0.645 0.487 10 0 "[ . 1]"
1 30 LEU 0.000 0.000 . 0 "[ . 1]"
1 31 ARG 3.755 0.486 9 0 "[ . 1]"
1 32 ARG 2.138 0.758 8 2 "[ -. + 1]"
1 33 ALA 0.000 0.000 . 0 "[ . 1]"
1 34 ILE 0.844 0.099 8 0 "[ . 1]"
1 35 GLN 2.928 0.758 8 2 "[ -. + 1]"
1 36 LEU 0.256 0.082 10 0 "[ . 1]"
1 37 SER 0.126 0.025 8 0 "[ . 1]"
1 38 MET 1.612 0.309 4 0 "[ . 1]"
1 39 GLN 3.550 0.649 5 4 "[ +- * *]"
1 40 GLY 0.044 0.044 7 0 "[ . 1]"
1 41 SER 0.457 0.230 5 0 "[ . 1]"
1 42 SER 0.000 0.000 . 0 "[ . 1]"
1 43 ARG 0.000 0.000 . 0 "[ . 1]"
1 44 ASN 0.000 0.000 . 0 "[ . 1]"
1 45 LEU 1.084 0.590 10 1 "[ . +]"
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 SER HA 1 3 LEU H 2.848 . 3.862 2.911 2.152 3.568 . 0 0 "[ . 1]" 1
2 1 2 SER HB3 1 3 LEU H 3.318 . 4.694 3.634 1.895 4.508 0.047 5 0 "[ . 1]" 1
3 1 2 SER HB3 1 4 ASP H 3.615 . 5.249 4.831 3.910 5.555 0.306 8 0 "[ . 1]" 1
4 1 3 LEU H 1 3 LEU HB3 2.626 . 3.488 3.432 2.698 4.098 0.610 6 1 "[ .+ 1]" 1
5 1 3 LEU H 1 3 LEU MD2 3.521 . 5.071 3.710 1.572 4.638 0.399 9 0 "[ . 1]" 1
6 1 3 LEU HA 1 3 LEU HB3 2.779 . 3.744 2.536 2.341 3.026 . 0 0 "[ . 1]" 1
7 1 3 LEU HA 1 3 LEU MD2 3.005 . 4.134 3.209 2.034 4.035 . 0 0 "[ . 1]" 1
8 1 3 LEU HA 1 3 LEU HG 2.651 . 3.529 2.943 2.187 3.678 0.149 9 0 "[ . 1]" 1
9 1 3 LEU HA 1 4 ASP H 2.828 . 3.828 3.311 2.849 3.518 . 0 0 "[ . 1]" 1
10 1 3 LEU HB3 1 3 LEU MD2 2.779 . 3.744 2.262 2.155 2.380 . 0 0 "[ . 1]" 1
11 1 3 LEU MD2 1 3 LEU HG 2.775 . 3.738 2.126 2.121 2.130 . 0 0 "[ . 1]" 1
12 1 3 LEU HG 1 4 ASP H 3.132 . 4.358 4.235 3.187 4.704 0.346 10 0 "[ . 1]" 1
13 1 4 ASP H 1 4 ASP HA 2.223 . 2.841 2.808 2.758 2.901 0.060 5 0 "[ . 1]" 1
14 1 4 ASP H 1 4 ASP HB2 2.155 . 2.735 2.651 2.523 2.831 0.096 5 0 "[ . 1]" 1
15 1 4 ASP HA 1 4 ASP HB2 2.666 . 3.554 3.024 3.007 3.030 . 0 0 "[ . 1]" 1
16 1 4 ASP HA 1 5 GLU H 2.760 . 3.713 3.511 3.473 3.561 . 0 0 "[ . 1]" 1
17 1 4 ASP HA 1 7 GLU HB2 1.540 . 1.836 1.934 1.867 2.063 0.227 5 0 "[ . 1]" 1
18 1 4 ASP HB2 1 5 GLU H 2.080 . 2.621 2.627 2.377 2.708 0.087 4 0 "[ . 1]" 1
19 1 5 GLU HA 1 5 GLU QG 2.382 . 3.091 2.703 2.352 3.103 0.012 3 0 "[ . 1]" 1
20 1 5 GLU HA 1 6 ASP H 2.649 . 3.526 3.537 3.514 3.559 0.033 1 0 "[ . 1]" 1
21 1 5 GLU HB3 1 6 ASP H 2.492 . 3.268 2.794 2.194 3.783 0.515 10 2 "[ . - +]" 1
22 1 5 GLU QG 1 6 ASP H 2.986 . 4.100 3.703 3.390 3.951 . 0 0 "[ . 1]" 1
23 1 6 ASP H 1 6 ASP HA 2.870 . 3.900 2.866 2.839 2.899 . 0 0 "[ . 1]" 1
24 1 6 ASP H 1 6 ASP HB2 2.356 . 3.050 2.612 2.354 3.550 0.500 5 1 "[ + 1]" 1
25 1 6 ASP H 1 7 GLU H 1.985 . 2.478 2.430 2.282 2.532 0.054 9 0 "[ . 1]" 1
26 1 6 ASP HA 1 7 GLU H 3.022 . 4.163 3.496 3.446 3.522 . 0 0 "[ . 1]" 1
27 1 6 ASP HB2 1 7 GLU H 2.944 . 4.028 3.190 2.485 3.920 . 0 0 "[ . 1]" 1
28 1 7 GLU H 1 7 GLU HB2 2.442 . 3.187 2.265 2.056 2.425 . 0 0 "[ . 1]" 1
29 1 7 GLU H 1 7 GLU QG 2.916 . 3.979 2.801 2.363 3.685 . 0 0 "[ . 1]" 1
30 1 7 GLU HA 1 7 GLU QG 1.944 . 2.416 2.297 2.214 2.422 0.006 7 0 "[ . 1]" 1
31 1 7 GLU HA 1 8 GLU H 2.972 . 4.076 3.544 3.510 3.571 . 0 0 "[ . 1]" 1
32 1 7 GLU QG 1 11 GLN H 3.864 . 5.730 5.328 4.734 5.486 . 0 0 "[ . 1]" 1
33 1 8 GLU H 1 8 GLU HB2 2.014 . 2.521 2.453 2.387 2.566 0.045 3 0 "[ . 1]" 1
34 1 8 GLU H 1 8 GLU HG3 2.330 . 3.009 2.846 1.936 3.764 0.755 8 4 "[* . *+ -]" 1
35 1 8 GLU HA 1 8 GLU HB2 2.763 . 3.717 3.017 3.012 3.022 . 0 0 "[ . 1]" 1
36 1 8 GLU HA 1 8 GLU HG3 2.419 . 3.151 3.329 2.931 3.757 0.606 10 4 "[* . *- +]" 1
37 1 8 GLU HA 1 9 ASP H 3.417 . 4.876 3.533 3.498 3.564 . 0 0 "[ . 1]" 1
38 1 8 GLU HA 1 11 GLN HG3 2.904 . 3.958 3.601 2.917 4.081 0.123 7 0 "[ . 1]" 1
39 1 8 GLU HB2 1 9 ASP H 2.716 . 3.638 2.655 2.470 2.833 . 0 0 "[ . 1]" 1
40 1 8 GLU HB2 1 9 ASP HA 3.320 . 4.698 4.407 4.173 4.528 . 0 0 "[ . 1]" 1
41 1 9 ASP H 1 9 ASP HB2 3.285 . 4.634 2.586 2.292 2.701 . 0 0 "[ . 1]" 1
42 1 9 ASP H 1 9 ASP HB3 2.917 . 3.980 2.618 2.408 3.568 . 0 0 "[ . 1]" 1
43 1 9 ASP H 1 10 LEU H 3.492 . 5.016 2.544 2.437 2.666 . 0 0 "[ . 1]" 1
44 1 9 ASP HA 1 9 ASP HB2 2.551 . 3.365 2.512 2.398 2.992 . 0 0 "[ . 1]" 1
45 1 9 ASP HA 1 9 ASP HB3 2.169 . 2.757 2.987 2.635 3.029 0.272 10 0 "[ . 1]" 1
46 1 9 ASP HA 1 10 LEU H 3.662 . 5.338 3.516 3.474 3.544 . 0 0 "[ . 1]" 1
47 1 9 ASP HA 1 12 ARG HB3 2.382 . 3.091 2.328 2.023 2.730 . 0 0 "[ . 1]" 1
48 1 9 ASP HA 1 13 ALA H 4.386 . 6.791 3.953 3.777 4.263 . 0 0 "[ . 1]" 1
49 1 9 ASP HB2 1 10 LEU H 3.336 . 4.727 3.822 2.886 4.055 . 0 0 "[ . 1]" 1
50 1 9 ASP HB3 1 10 LEU H 3.166 . 4.419 2.768 2.483 3.476 . 0 0 "[ . 1]" 1
51 1 10 LEU H 1 10 LEU HA 2.917 . 3.980 2.822 2.810 2.842 . 0 0 "[ . 1]" 1
52 1 10 LEU H 1 10 LEU HB3 2.759 . 3.711 2.860 2.619 3.592 . 0 0 "[ . 1]" 1
53 1 10 LEU H 1 10 LEU MD1 3.597 . 5.215 4.157 3.720 4.283 . 0 0 "[ . 1]" 1
54 1 10 LEU H 1 11 GLN H 3.250 . 4.570 2.724 2.646 2.809 . 0 0 "[ . 1]" 1
55 1 10 LEU HA 1 10 LEU HB2 2.865 . 3.891 2.645 2.517 3.009 . 0 0 "[ . 1]" 1
56 1 10 LEU HA 1 10 LEU HB3 2.371 . 3.074 2.907 2.459 3.021 . 0 0 "[ . 1]" 1
57 1 10 LEU HA 1 10 LEU MD1 2.957 . 4.050 3.122 2.534 3.757 . 0 0 "[ . 1]" 1
58 1 10 LEU HA 1 10 LEU MD2 2.181 . 2.775 1.948 1.899 1.995 . 0 0 "[ . 1]" 1
59 1 10 LEU HA 1 10 LEU HG 2.947 . 4.033 3.591 3.109 3.737 . 0 0 "[ . 1]" 1
60 1 10 LEU HA 1 11 GLN H 3.227 . 4.528 3.569 3.539 3.597 . 0 0 "[ . 1]" 1
61 1 10 LEU HA 1 13 ALA H 4.081 . 6.163 3.398 3.254 3.549 . 0 0 "[ . 1]" 1
62 1 10 LEU HA 1 13 ALA MB 2.274 . 2.920 2.719 2.487 2.809 . 0 0 "[ . 1]" 1
63 1 10 LEU HB2 1 10 LEU MD1 2.831 . 3.833 3.019 2.251 3.210 . 0 0 "[ . 1]" 1
64 1 10 LEU HB2 1 10 LEU MD2 2.022 . 2.533 2.591 2.354 3.191 0.658 6 2 "[ .+- 1]" 1
65 1 10 LEU HB2 1 11 GLN H 3.068 . 4.244 3.394 2.381 3.727 . 0 0 "[ . 1]" 1
66 1 10 LEU HB3 1 10 LEU MD1 2.257 . 2.893 2.290 2.200 2.437 . 0 0 "[ . 1]" 1
67 1 10 LEU HB3 1 10 LEU MD2 2.732 . 3.665 3.029 2.417 3.188 . 0 0 "[ . 1]" 1
68 1 10 LEU HB3 1 11 GLN H 3.454 . 4.946 2.602 2.293 3.470 . 0 0 "[ . 1]" 1
69 1 10 LEU HB3 1 13 ALA H 3.809 . 5.622 5.414 5.195 5.599 . 0 0 "[ . 1]" 1
70 1 10 LEU MD1 1 11 GLN H 3.597 . 5.215 3.546 3.139 4.447 . 0 0 "[ . 1]" 1
71 1 10 LEU MD2 1 10 LEU HG 2.336 . 3.018 2.121 2.102 2.132 . 0 0 "[ . 1]" 1
72 1 10 LEU MD2 1 13 ALA MB 3.174 . 4.433 2.996 2.492 3.475 . 0 0 "[ . 1]" 1
73 1 11 GLN H 1 11 GLN HB3 2.808 . 3.794 3.049 2.248 3.608 . 0 0 "[ . 1]" 1
74 1 11 GLN H 1 11 GLN HG3 2.966 . 4.066 3.174 2.183 4.232 0.166 7 0 "[ . 1]" 1
75 1 11 GLN HA 1 11 GLN HB3 2.501 . 3.283 2.532 2.443 3.012 . 0 0 "[ . 1]" 1
76 1 11 GLN HA 1 11 GLN HG3 2.788 . 3.760 3.515 3.089 3.771 0.011 3 0 "[ . 1]" 1
77 1 11 GLN HB3 1 11 GLN HG3 2.598 . 3.442 2.848 2.424 3.010 . 0 0 "[ . 1]" 1
78 1 12 ARG H 1 12 ARG HB3 2.431 . 3.170 2.494 2.378 2.571 . 0 0 "[ . 1]" 1
79 1 12 ARG H 1 12 ARG QD 4.842 . 7.773 4.333 4.128 4.610 . 0 0 "[ . 1]" 1
80 1 12 ARG H 1 12 ARG QG 3.346 . 4.746 4.025 3.974 4.068 . 0 0 "[ . 1]" 1
81 1 12 ARG H 1 13 ALA MB 3.863 . 5.728 4.349 4.287 4.459 . 0 0 "[ . 1]" 1
82 1 12 ARG HA 1 12 ARG HB3 2.817 . 3.809 3.023 3.009 3.032 . 0 0 "[ . 1]" 1
83 1 12 ARG HA 1 12 ARG QD 2.589 . 3.427 2.438 1.944 3.384 . 0 0 "[ . 1]" 1
84 1 12 ARG HA 1 12 ARG QG 2.561 . 3.381 2.862 2.412 3.105 . 0 0 "[ . 1]" 1
85 1 12 ARG HA 1 15 ALA MB 2.567 . 3.391 2.796 2.598 2.993 . 0 0 "[ . 1]" 1
86 1 12 ARG HB3 1 13 ALA H 2.787 . 3.758 2.460 2.320 2.576 . 0 0 "[ . 1]" 1
87 1 12 ARG QD 1 12 ARG QG 2.759 . 3.711 2.046 1.982 2.092 . 0 0 "[ . 1]" 1
88 1 12 ARG QD 1 16 LEU HA 3.326 . 4.709 4.501 4.284 4.614 . 0 0 "[ . 1]" 1
89 1 12 ARG QG 1 15 ALA H 3.833 . 5.670 5.252 5.089 5.359 . 0 0 "[ . 1]" 1
90 1 13 ALA H 1 13 ALA HA 2.762 . 3.715 2.783 2.762 2.801 . 0 0 "[ . 1]" 1
91 1 13 ALA H 1 13 ALA MB 2.771 . 3.731 2.229 2.218 2.236 . 0 0 "[ . 1]" 1
92 1 13 ALA H 1 14 LEU H 3.790 . 5.585 2.753 2.699 2.798 . 0 0 "[ . 1]" 1
93 1 13 ALA H 1 16 LEU MD1 3.429 . 4.899 4.578 4.420 4.711 . 0 0 "[ . 1]" 1
94 1 13 ALA HA 1 13 ALA MB 2.759 . 3.711 2.128 2.124 2.130 . 0 0 "[ . 1]" 1
95 1 13 ALA HA 1 14 LEU H 3.069 . 4.246 3.529 3.510 3.551 . 0 0 "[ . 1]" 1
96 1 13 ALA MB 1 14 LEU HA 4.815 . 7.713 3.897 3.851 3.927 . 0 0 "[ . 1]" 1
97 1 13 ALA MB 1 14 LEU MD2 3.318 . 4.694 3.782 3.359 4.793 0.099 6 0 "[ . 1]" 1
98 1 14 LEU H 1 14 LEU HB2 2.358 . 3.053 2.456 2.163 2.529 . 0 0 "[ . 1]" 1
99 1 14 LEU H 1 14 LEU HB3 2.844 . 3.855 3.584 3.473 3.606 . 0 0 "[ . 1]" 1
100 1 14 LEU H 1 14 LEU MD1 3.411 . 4.865 3.488 2.363 3.739 . 0 0 "[ . 1]" 1
101 1 14 LEU H 1 14 LEU MD2 3.429 . 4.899 3.351 3.099 3.654 . 0 0 "[ . 1]" 1
102 1 14 LEU H 1 14 LEU HG 3.125 . 4.346 2.478 2.252 4.171 . 0 0 "[ . 1]" 1
103 1 14 LEU H 1 15 ALA H 3.344 . 4.742 2.755 2.675 2.825 . 0 0 "[ . 1]" 1
104 1 14 LEU HA 1 14 LEU MD2 2.432 . 3.171 2.202 1.973 3.818 0.647 6 1 "[ .+ 1]" 1
105 1 14 LEU HA 1 15 ALA H 4.070 . 6.141 3.567 3.562 3.573 . 0 0 "[ . 1]" 1
106 1 14 LEU HA 1 34 ILE HA 3.569 . 5.161 4.865 4.626 5.154 . 0 0 "[ . 1]" 1
107 1 14 LEU HB2 1 14 LEU MD2 2.823 . 3.819 3.102 2.242 3.202 . 0 0 "[ . 1]" 1
108 1 14 LEU HB2 1 15 ALA H 3.086 . 4.277 2.381 2.291 2.612 . 0 0 "[ . 1]" 1
109 1 14 LEU HB3 1 14 LEU MD2 2.707 . 3.623 2.374 2.303 2.442 . 0 0 "[ . 1]" 1
110 1 14 LEU HB3 1 34 ILE HG12 3.500 . 5.032 4.444 4.030 5.075 0.043 4 0 "[ . 1]" 1
111 1 14 LEU HB3 1 34 ILE HG13 3.239 . 4.550 3.811 3.301 4.546 . 0 0 "[ . 1]" 1
112 1 14 LEU MD1 1 15 ALA H 3.648 . 5.311 4.290 4.159 4.388 . 0 0 "[ . 1]" 1
113 1 14 LEU MD2 1 14 LEU HG 1.990 . 2.485 2.129 2.123 2.131 . 0 0 "[ . 1]" 1
114 1 14 LEU MD2 1 15 ALA H 3.620 . 5.258 4.574 4.374 4.638 . 0 0 "[ . 1]" 1
115 1 14 LEU MD2 1 34 ILE HA 3.043 . 4.200 2.855 2.404 3.451 . 0 0 "[ . 1]" 1
116 1 15 ALA H 1 15 ALA HA 2.768 . 3.726 2.825 2.803 2.851 . 0 0 "[ . 1]" 1
117 1 15 ALA H 1 15 ALA MB 2.617 . 3.473 2.227 2.115 2.258 . 0 0 "[ . 1]" 1
118 1 15 ALA H 1 16 LEU H 2.828 . 3.828 2.577 2.511 2.666 . 0 0 "[ . 1]" 1
119 1 15 ALA HA 1 16 LEU H 2.845 . 3.857 3.489 3.454 3.515 . 0 0 "[ . 1]" 1
120 1 15 ALA HA 1 18 ARG QB 2.118 . 2.679 2.394 1.976 2.711 0.032 6 0 "[ . 1]" 1
121 1 15 ALA HA 1 18 ARG HD3 3.122 . 4.340 2.477 1.694 4.397 0.210 3 0 "[ . 1]" 1
122 1 15 ALA HA 1 34 ILE MG 3.759 . 5.525 4.004 3.504 4.682 . 0 0 "[ . 1]" 1
123 1 15 ALA MB 1 16 LEU H 2.553 . 3.368 2.623 2.475 2.843 . 0 0 "[ . 1]" 1
124 1 16 LEU H 1 16 LEU HB3 2.588 . 3.425 2.604 2.487 2.689 . 0 0 "[ . 1]" 1
125 1 16 LEU H 1 16 LEU MD1 3.171 . 4.428 4.053 4.010 4.079 . 0 0 "[ . 1]" 1
126 1 16 LEU HA 1 16 LEU HB2 2.910 . 3.969 2.527 2.469 2.581 . 0 0 "[ . 1]" 1
127 1 16 LEU HA 1 16 LEU HB3 2.947 . 4.033 3.018 3.010 3.024 . 0 0 "[ . 1]" 1
128 1 16 LEU HA 1 16 LEU MD2 2.790 . 3.763 3.130 2.979 3.261 . 0 0 "[ . 1]" 1
129 1 16 LEU HA 1 19 GLN HB3 3.777 . 5.561 4.509 4.171 4.978 . 0 0 "[ . 1]" 1
130 1 16 LEU HA 1 19 GLN HG3 3.061 . 4.232 3.179 2.634 3.620 . 0 0 "[ . 1]" 1
131 1 16 LEU HB2 1 16 LEU HG 2.290 . 2.945 2.589 2.552 2.634 . 0 0 "[ . 1]" 1
132 1 16 LEU HB2 1 17 SER H 3.420 . 4.882 3.601 3.458 3.724 . 0 0 "[ . 1]" 1
133 1 16 LEU HB3 1 17 SER H 3.438 . 4.916 2.279 2.184 2.423 . 0 0 "[ . 1]" 1
134 1 16 LEU MD2 1 16 LEU HG 2.237 . 2.862 2.133 2.128 2.138 . 0 0 "[ . 1]" 1
135 1 16 LEU MD2 1 17 SER H 2.561 . 3.381 3.117 2.964 3.216 . 0 0 "[ . 1]" 1
136 1 16 LEU HG 1 19 GLN HG3 3.127 . 4.350 4.276 3.947 4.810 0.460 3 0 "[ . 1]" 1
137 1 17 SER H 1 17 SER HA 2.940 . 4.021 2.810 2.778 2.843 . 0 0 "[ . 1]" 1
138 1 17 SER H 1 17 SER HB2 2.502 . 3.284 2.623 2.397 3.567 0.283 9 0 "[ . 1]" 1
139 1 17 SER H 1 17 SER HB3 2.779 . 3.744 3.210 2.575 3.595 . 0 0 "[ . 1]" 1
140 1 17 SER H 1 18 ARG H 2.757 . 3.707 2.636 2.556 2.736 . 0 0 "[ . 1]" 1
141 1 18 ARG H 1 18 ARG QB 2.663 . 3.550 2.334 2.082 2.446 . 0 0 "[ . 1]" 1
142 1 18 ARG H 1 18 ARG HG2 2.672 . 3.564 3.454 2.333 3.882 0.318 4 0 "[ . 1]" 1
143 1 18 ARG H 1 20 GLU HB2 3.265 . 4.597 4.669 4.591 4.726 0.129 6 0 "[ . 1]" 1
144 1 18 ARG HA 1 19 GLN H 2.687 . 3.589 3.543 3.488 3.568 . 0 0 "[ . 1]" 1
145 1 18 ARG QB 1 19 GLN H 3.445 . 4.928 2.639 2.280 3.543 . 0 0 "[ . 1]" 1
146 1 19 GLN H 1 19 GLN HB3 2.762 . 3.715 2.797 2.590 3.576 . 0 0 "[ . 1]" 1
147 1 19 GLN H 1 19 GLN HG3 2.965 . 4.064 3.063 1.853 3.390 0.013 1 0 "[ . 1]" 1
148 1 19 GLN H 1 20 GLU H 2.973 . 4.078 2.444 2.169 2.602 . 0 0 "[ . 1]" 1
149 1 19 GLN H 1 21 ILE H 3.239 . 4.550 4.293 3.858 4.657 0.107 7 0 "[ . 1]" 1
150 1 19 GLN HA 1 19 GLN HB3 2.110 . 2.667 2.429 2.369 2.470 . 0 0 "[ . 1]" 1
151 1 19 GLN HA 1 20 GLU H 2.807 . 3.792 3.424 3.333 3.505 . 0 0 "[ . 1]" 1
152 1 19 GLN HB3 1 19 GLN HG3 2.346 . 3.034 2.925 2.490 3.010 . 0 0 "[ . 1]" 1
153 1 19 GLN HG3 1 21 ILE H 4.402 . 6.824 5.435 5.044 6.858 0.034 9 0 "[ . 1]" 1
154 1 20 GLU H 1 20 GLU HB2 2.708 . 3.624 2.338 2.264 2.411 . 0 0 "[ . 1]" 1
155 1 20 GLU H 1 20 GLU HG3 2.817 . 3.809 3.473 2.508 3.940 0.131 8 0 "[ . 1]" 1
156 1 20 GLU H 1 21 ILE H 2.999 . 4.123 2.657 2.263 3.099 . 0 0 "[ . 1]" 1
157 1 20 GLU HA 1 20 GLU HB2 2.820 . 3.814 3.011 2.998 3.017 . 0 0 "[ . 1]" 1
158 1 20 GLU HA 1 20 GLU HG3 2.788 . 3.760 3.494 3.028 3.697 . 0 0 "[ . 1]" 1
159 1 20 GLU HB2 1 21 ILE H 2.829 . 3.830 2.666 2.189 3.193 . 0 0 "[ . 1]" 1
160 1 20 GLU HG3 1 21 ILE HA 4.324 . 6.661 6.662 6.518 6.833 0.172 7 0 "[ . 1]" 1
161 1 21 ILE H 1 21 ILE HA 2.781 . 3.748 2.840 2.251 2.945 . 0 0 "[ . 1]" 1
162 1 21 ILE H 1 21 ILE HB 2.796 . 3.773 2.663 2.335 3.526 . 0 0 "[ . 1]" 1
163 1 21 ILE H 1 21 ILE HG12 3.211 . 4.500 3.288 2.235 4.448 . 0 0 "[ . 1]" 1
164 1 21 ILE H 1 21 ILE HG13 3.157 . 4.403 3.916 3.457 4.382 . 0 0 "[ . 1]" 1
165 1 21 ILE H 1 21 ILE MG 3.544 . 5.114 3.829 3.702 4.062 . 0 0 "[ . 1]" 1
166 1 21 ILE H 1 22 ASP H 3.039 . 4.193 3.328 2.627 4.200 0.007 8 0 "[ . 1]" 1
167 1 21 ILE HA 1 21 ILE MD 2.249 . 2.881 2.349 1.972 2.841 . 0 0 "[ . 1]" 1
168 1 21 ILE HA 1 21 ILE HG12 2.313 . 2.982 3.261 2.952 3.662 0.680 3 4 "[* + .* - 1]" 1
169 1 21 ILE HA 1 21 ILE HG13 3.547 . 5.119 3.190 2.325 3.815 . 0 0 "[ . 1]" 1
170 1 21 ILE HA 1 21 ILE MG 3.044 . 4.202 2.459 2.349 2.574 . 0 0 "[ . 1]" 1
171 1 21 ILE HA 1 22 ASP H 2.676 . 3.571 2.873 2.126 3.554 . 0 0 "[ . 1]" 1
172 1 21 ILE HA 1 22 ASP HB3 4.428 . 6.878 4.978 4.490 5.764 . 0 0 "[ . 1]" 1
173 1 21 ILE HA 1 23 MET HB2 3.886 . 5.773 4.260 3.554 4.667 . 0 0 "[ . 1]" 1
174 1 21 ILE HA 1 23 MET HB3 3.473 . 4.981 4.897 4.515 5.468 0.487 5 0 "[ . 1]" 1
175 1 21 ILE HA 1 31 ARG QD 4.146 . 6.295 5.467 4.359 6.096 . 0 0 "[ . 1]" 1
176 1 21 ILE HB 1 21 ILE MD 2.700 . 3.611 2.892 2.375 3.226 . 0 0 "[ . 1]" 1
177 1 21 ILE HB 1 21 ILE HG12 2.704 . 3.618 2.493 2.447 2.535 . 0 0 "[ . 1]" 1
178 1 21 ILE HB 1 21 ILE HG13 2.931 . 4.005 2.667 2.401 3.030 . 0 0 "[ . 1]" 1
179 1 21 ILE HB 1 21 ILE MG 2.416 . 3.146 2.125 2.105 2.137 . 0 0 "[ . 1]" 1
180 1 21 ILE HB 1 22 ASP H 3.301 . 4.663 3.235 1.872 4.521 0.067 10 0 "[ . 1]" 1
181 1 21 ILE HG13 1 22 ASP H 4.687 . 7.433 4.714 4.263 5.832 . 0 0 "[ . 1]" 1
182 1 21 ILE MG 1 22 ASP H 3.180 . 4.444 2.979 2.327 3.635 . 0 0 "[ . 1]" 1
183 1 21 ILE MG 1 22 ASP HA 3.286 . 4.635 3.688 3.031 4.279 . 0 0 "[ . 1]" 1
184 1 21 ILE MG 1 23 MET HB2 2.118 . 2.679 2.619 2.089 3.014 0.335 4 0 "[ . 1]" 1
185 1 21 ILE MG 1 23 MET HB3 2.320 . 2.993 2.405 1.955 2.630 . 0 0 "[ . 1]" 1
186 1 22 ASP H 1 22 ASP HB2 3.620 . 5.258 2.989 2.478 3.696 . 0 0 "[ . 1]" 1
187 1 22 ASP H 1 22 ASP HB3 2.689 . 3.593 3.241 2.544 3.684 0.091 6 0 "[ . 1]" 1
188 1 22 ASP HA 1 22 ASP HB3 2.591 . 3.430 2.852 2.385 3.029 . 0 0 "[ . 1]" 1
189 1 25 ASP HA 1 26 GLU H 2.908 . 3.965 3.092 2.199 3.584 . 0 0 "[ . 1]" 1
190 1 25 ASP HA 1 28 ALA H 3.414 . 4.871 4.528 4.145 4.902 0.031 7 0 "[ . 1]" 1
191 1 25 ASP HB3 1 26 GLU H 3.089 . 4.282 2.853 1.744 4.085 0.152 4 0 "[ . 1]" 1
192 1 26 GLU H 1 26 GLU QB 2.676 . 3.571 2.572 2.255 3.379 . 0 0 "[ . 1]" 1
193 1 26 GLU H 1 26 GLU HG3 3.205 . 4.489 3.923 3.072 4.602 0.113 1 0 "[ . 1]" 1
194 1 26 GLU HA 1 26 GLU QB 2.657 . 3.539 2.398 2.359 2.469 . 0 0 "[ . 1]" 1
195 1 26 GLU HA 1 26 GLU HG3 2.802 . 3.783 3.370 2.553 3.738 . 0 0 "[ . 1]" 1
196 1 26 GLU HA 1 29 ASP HB2 2.989 . 4.106 3.910 2.870 4.593 0.487 10 0 "[ . 1]" 1
197 1 26 GLU QB 1 27 GLU H 2.401 . 3.122 2.764 2.399 3.070 . 0 0 "[ . 1]" 1
198 1 27 GLU H 1 27 GLU HG3 2.765 . 3.721 2.679 1.785 3.657 0.024 6 0 "[ . 1]" 1
199 1 27 GLU H 1 28 ALA MB 3.813 . 5.631 4.247 3.916 4.477 . 0 0 "[ . 1]" 1
200 1 27 GLU HA 1 30 LEU H 3.140 . 4.373 3.304 2.892 3.646 . 0 0 "[ . 1]" 1
201 1 27 GLU HB3 1 28 ALA H 3.059 . 4.229 3.981 3.595 4.262 0.033 3 0 "[ . 1]" 1
202 1 27 GLU HG3 1 28 ALA H 3.171 . 4.428 4.005 2.093 5.136 0.708 2 2 "[ + . - 1]" 1
203 1 28 ALA H 1 28 ALA HA 2.985 . 4.099 2.796 2.765 2.835 . 0 0 "[ . 1]" 1
204 1 28 ALA H 1 28 ALA MB 2.596 . 3.438 2.221 2.180 2.256 . 0 0 "[ . 1]" 1
205 1 28 ALA MB 1 29 ASP H 2.902 . 3.955 2.752 2.412 2.985 . 0 0 "[ . 1]" 1
206 1 29 ASP H 1 29 ASP HA 2.737 . 3.673 2.831 2.792 2.875 . 0 0 "[ . 1]" 1
207 1 29 ASP H 1 29 ASP HB3 2.882 . 3.920 2.618 2.428 3.577 . 0 0 "[ . 1]" 1
208 1 29 ASP H 1 30 LEU MD1 3.593 . 5.207 3.703 3.371 5.173 . 0 0 "[ . 1]" 1
209 1 29 ASP HA 1 32 ARG H 3.065 . 4.239 3.282 3.099 3.508 . 0 0 "[ . 1]" 1
210 1 29 ASP HA 1 32 ARG QB 2.792 . 3.766 2.437 1.861 2.662 . 0 0 "[ . 1]" 1
211 1 29 ASP HA 1 32 ARG HD3 3.071 . 4.250 3.840 3.336 4.260 0.010 9 0 "[ . 1]" 1
212 1 29 ASP HB2 1 30 LEU MD1 3.682 . 5.377 4.027 2.830 5.300 . 0 0 "[ . 1]" 1
213 1 30 LEU H 1 30 LEU HB2 2.538 . 3.343 2.371 2.309 2.457 . 0 0 "[ . 1]" 1
214 1 30 LEU HA 1 31 ARG H 3.371 . 4.791 3.528 3.505 3.560 . 0 0 "[ . 1]" 1
215 1 30 LEU HB2 1 31 ARG H 2.498 . 3.278 2.671 2.465 2.808 . 0 0 "[ . 1]" 1
216 1 30 LEU MD1 1 33 ALA H 3.844 . 5.691 5.127 4.432 5.326 . 0 0 "[ . 1]" 1
217 1 30 LEU MD2 1 31 ARG H 3.687 . 5.387 4.598 3.771 4.830 . 0 0 "[ . 1]" 1
218 1 31 ARG H 1 31 ARG HG2 3.333 . 4.722 3.209 1.834 4.575 0.110 6 0 "[ . 1]" 1
219 1 31 ARG HA 1 31 ARG HB3 2.029 . 2.544 2.677 2.340 3.030 0.486 9 0 "[ . 1]" 1
220 1 31 ARG HA 1 31 ARG QD 3.199 . 3.967 2.449 1.916 3.704 0.004 7 0 "[ . 1]" 1
221 1 31 ARG HA 1 31 ARG HG2 3.054 . 4.219 3.512 3.200 3.894 . 0 0 "[ . 1]" 1
222 1 31 ARG HA 1 31 ARG HG3 4.686 . 7.430 3.305 2.335 3.937 . 0 0 "[ . 1]" 1
223 1 31 ARG HA 1 32 ARG H 3.540 . 5.106 3.510 3.465 3.541 . 0 0 "[ . 1]" 1
224 1 31 ARG HA 1 34 ILE HB 2.916 . 3.979 2.614 2.264 3.051 . 0 0 "[ . 1]" 1
225 1 31 ARG HA 1 34 ILE MD 3.038 . 4.192 3.075 2.547 3.786 . 0 0 "[ . 1]" 1
226 1 31 ARG HB3 1 31 ARG QD 2.284 . 2.936 2.792 2.340 3.292 0.356 3 0 "[ . 1]" 1
227 1 31 ARG QD 1 34 ILE HB 3.807 . 5.619 4.188 2.983 4.954 . 0 0 "[ . 1]" 1
228 1 32 ARG H 1 32 ARG HA 2.775 . 3.738 2.812 2.774 2.854 . 0 0 "[ . 1]" 1
229 1 32 ARG H 1 32 ARG QB 2.553 . 3.368 2.236 2.193 2.367 . 0 0 "[ . 1]" 1
230 1 32 ARG H 1 32 ARG HD3 4.378 . 6.773 5.026 4.633 5.885 . 0 0 "[ . 1]" 1
231 1 32 ARG H 1 32 ARG QG 3.260 . 4.589 3.775 2.156 3.970 . 0 0 "[ . 1]" 1
232 1 32 ARG HA 1 32 ARG QB 2.001 . 2.502 2.379 2.335 2.427 . 0 0 "[ . 1]" 1
233 1 32 ARG HA 1 32 ARG HD3 3.488 . 5.009 4.629 4.243 4.957 . 0 0 "[ . 1]" 1
234 1 32 ARG HA 1 32 ARG QG 2.583 . 3.417 2.450 2.351 2.571 . 0 0 "[ . 1]" 1
235 1 32 ARG HA 1 33 ALA H 3.276 . 4.617 3.526 3.488 3.556 . 0 0 "[ . 1]" 1
236 1 32 ARG QB 1 32 ARG QG 2.095 . 2.644 2.084 2.080 2.086 . 0 0 "[ . 1]" 1
237 1 32 ARG QB 1 33 ALA H 2.926 . 3.996 2.616 2.413 2.815 . 0 0 "[ . 1]" 1
238 1 32 ARG HD3 1 32 ARG QG . . 2.497 2.310 2.172 2.376 . 0 0 "[ . 1]" 1
239 1 32 ARG QG 1 33 ALA H 3.233 . 4.539 3.818 3.451 4.181 . 0 0 "[ . 1]" 1
240 1 32 ARG QG 1 35 GLN HB3 3.207 . 4.493 4.219 3.273 5.251 0.758 8 2 "[ -. + 1]" 1
241 1 33 ALA H 1 33 ALA HA 2.956 . 4.049 2.822 2.795 2.843 . 0 0 "[ . 1]" 1
242 1 33 ALA H 1 33 ALA MB 2.965 . 4.064 2.243 2.224 2.252 . 0 0 "[ . 1]" 1
243 1 33 ALA HA 1 34 ILE H 4.968 . 8.053 3.519 3.485 3.556 . 0 0 "[ . 1]" 1
244 1 33 ALA MB 1 34 ILE H 3.157 . 4.403 2.639 2.474 2.755 . 0 0 "[ . 1]" 1
245 1 33 ALA MB 1 34 ILE HA 5.896 . 10.241 3.914 3.829 3.993 . 0 0 "[ . 1]" 1
246 1 33 ALA MB 1 35 GLN H 4.639 . 7.329 4.510 4.401 4.581 . 0 0 "[ . 1]" 1
247 1 34 ILE H 1 34 ILE HA 2.758 . 3.709 2.838 2.827 2.844 . 0 0 "[ . 1]" 1
248 1 34 ILE H 1 34 ILE HB 2.953 . 4.043 2.213 2.161 2.290 . 0 0 "[ . 1]" 1
249 1 34 ILE H 1 34 ILE HG13 3.211 . 4.500 4.020 3.803 4.172 . 0 0 "[ . 1]" 1
250 1 34 ILE H 1 34 ILE MG 3.759 . 5.525 3.600 3.551 3.685 . 0 0 "[ . 1]" 1
251 1 34 ILE H 1 35 GLN H 1.976 . 2.464 2.544 2.513 2.563 0.099 8 0 "[ . 1]" 1
252 1 34 ILE HA 1 34 ILE HB 2.644 . 3.518 2.975 2.953 3.002 . 0 0 "[ . 1]" 1
253 1 34 ILE HA 1 34 ILE MD 2.472 . 3.236 2.378 2.081 2.663 . 0 0 "[ . 1]" 1
254 1 34 ILE HA 1 34 ILE HG12 3.221 . 4.518 3.581 3.560 3.608 . 0 0 "[ . 1]" 1
255 1 34 ILE HA 1 34 ILE HG13 3.152 . 4.394 2.377 2.288 2.486 . 0 0 "[ . 1]" 1
256 1 34 ILE HA 1 34 ILE MG 2.605 . 3.453 2.731 2.640 2.804 . 0 0 "[ . 1]" 1
257 1 34 ILE HB 1 34 ILE MD 2.555 . 3.371 2.437 2.388 2.521 . 0 0 "[ . 1]" 1
258 1 34 ILE HB 1 34 ILE HG13 2.744 . 3.685 3.020 3.004 3.026 . 0 0 "[ . 1]" 1
259 1 34 ILE HB 1 34 ILE MG 3.011 . 4.144 2.121 2.112 2.128 . 0 0 "[ . 1]" 1
260 1 34 ILE HB 1 35 GLN H 2.979 . 4.088 2.867 2.741 2.978 . 0 0 "[ . 1]" 1
261 1 34 ILE MD 1 34 ILE HG12 1.981 . 2.472 2.113 2.103 2.116 . 0 0 "[ . 1]" 1
262 1 34 ILE MD 1 34 ILE HG13 2.742 . 3.682 2.117 2.113 2.121 . 0 0 "[ . 1]" 1
263 1 34 ILE MD 1 37 SER H 4.361 . 6.738 4.999 4.641 5.283 . 0 0 "[ . 1]" 1
264 1 34 ILE HG13 1 34 ILE MG 2.497 . 3.276 2.384 2.158 2.521 . 0 0 "[ . 1]" 1
265 1 34 ILE HG13 1 35 GLN H 3.672 . 5.357 5.057 4.996 5.120 . 0 0 "[ . 1]" 1
266 1 34 ILE MG 1 35 GLN H 3.019 . 4.158 2.858 2.730 3.042 . 0 0 "[ . 1]" 1
267 1 34 ILE MG 1 38 MET H 4.730 . 7.527 4.370 3.826 4.876 . 0 0 "[ . 1]" 1
268 1 35 GLN H 1 35 GLN HB3 2.823 . 3.819 3.071 2.471 3.616 . 0 0 "[ . 1]" 1
269 1 35 GLN H 1 35 GLN HG3 3.344 . 4.742 3.511 2.174 4.506 . 0 0 "[ . 1]" 1
270 1 35 GLN HA 1 35 GLN HB3 2.482 . 3.252 2.753 2.467 3.030 . 0 0 "[ . 1]" 1
271 1 36 LEU H 1 36 LEU HA 2.818 . 3.811 2.831 2.787 2.857 . 0 0 "[ . 1]" 1
272 1 36 LEU H 1 36 LEU HB2 3.672 . 5.357 2.655 2.535 2.900 . 0 0 "[ . 1]" 1
273 1 36 LEU H 1 36 LEU HB3 2.897 . 3.946 2.297 2.194 2.334 . 0 0 "[ . 1]" 1
274 1 36 LEU H 1 36 LEU QD 2.950 . 4.038 3.552 3.513 3.566 . 0 0 "[ . 1]" 1
275 1 36 LEU H 1 36 LEU HG 3.354 . 4.760 4.551 4.379 4.593 . 0 0 "[ . 1]" 1
276 1 36 LEU H 1 37 SER H 2.982 . 4.094 2.622 2.556 2.742 . 0 0 "[ . 1]" 1
277 1 36 LEU HA 1 36 LEU HB2 2.890 . 3.934 2.389 2.286 2.413 . 0 0 "[ . 1]" 1
278 1 36 LEU HA 1 37 SER H 3.049 . 4.211 3.550 3.524 3.562 . 0 0 "[ . 1]" 1
279 1 36 LEU HA 1 39 GLN H 2.813 . 3.802 3.559 3.147 3.848 0.046 3 0 "[ . 1]" 1
280 1 36 LEU HB2 1 36 LEU QD 2.826 . 3.824 2.409 2.098 2.451 . 0 0 "[ . 1]" 1
281 1 36 LEU HB2 1 36 LEU HG 2.099 . 2.650 2.363 2.315 2.732 0.082 10 0 "[ . 1]" 1
282 1 36 LEU HB2 1 37 SER H 3.667 . 5.348 3.906 3.850 4.098 . 0 0 "[ . 1]" 1
283 1 36 LEU QD 1 37 SER H 1.993 . 2.490 2.502 2.489 2.515 0.025 8 0 "[ . 1]" 1
284 1 36 LEU QD 1 39 GLN H 3.939 . 5.878 3.930 3.570 4.417 . 0 0 "[ . 1]" 1
285 1 37 SER H 1 37 SER HB2 3.082 . 4.269 2.734 2.398 3.564 . 0 0 "[ . 1]" 1
286 1 37 SER H 1 38 MET H 2.588 . 3.425 2.726 2.653 2.824 . 0 0 "[ . 1]" 1
287 1 37 SER HA 1 37 SER HB2 2.501 . 3.283 2.722 2.463 3.028 . 0 0 "[ . 1]" 1
288 1 37 SER HA 1 37 SER HB3 2.521 . 3.315 2.655 2.324 3.032 . 0 0 "[ . 1]" 1
289 1 37 SER HB3 1 38 MET H 3.615 . 5.249 3.671 2.713 4.407 . 0 0 "[ . 1]" 1
290 1 38 MET H 1 38 MET HB2 3.256 . 4.581 2.721 2.331 3.676 . 0 0 "[ . 1]" 1
291 1 38 MET H 1 38 MET HB3 2.578 . 3.408 2.923 2.369 3.643 0.235 10 0 "[ . 1]" 1
292 1 38 MET H 1 38 MET HG2 3.041 . 4.197 3.897 2.098 4.506 0.309 4 0 "[ . 1]" 1
293 1 38 MET H 1 39 GLN H 3.015 . 4.151 2.528 2.322 2.960 . 0 0 "[ . 1]" 1
294 1 38 MET HA 1 39 GLN H 2.756 . 3.706 3.415 2.800 3.562 . 0 0 "[ . 1]" 1
295 1 39 GLN H 1 39 GLN HA 2.836 . 3.841 2.910 2.797 2.949 . 0 0 "[ . 1]" 1
296 1 39 GLN H 1 39 GLN HB3 2.409 . 3.134 3.392 2.623 3.783 0.649 5 4 "[ +- * *]" 1
297 1 39 GLN H 1 39 GLN HG3 2.715 . 3.636 2.839 2.302 3.242 . 0 0 "[ . 1]" 1
298 1 39 GLN H 1 40 GLY H 4.374 . 6.766 3.931 2.576 4.544 . 0 0 "[ . 1]" 1
299 1 39 GLN HA 1 39 GLN HB3 2.309 . 2.975 2.455 2.398 2.520 . 0 0 "[ . 1]" 1
300 1 39 GLN HA 1 40 GLY H 3.173 . 4.432 2.511 2.150 3.583 . 0 0 "[ . 1]" 1
301 1 39 GLN HB3 1 40 GLY H 3.149 . 4.388 3.721 2.388 4.432 0.044 7 0 "[ . 1]" 1
302 1 40 GLY H 1 40 GLY HA2 2.807 . 3.792 2.682 2.298 2.929 . 0 0 "[ . 1]" 1
303 1 40 GLY HA2 1 41 SER H 3.055 . 4.222 2.950 2.139 3.546 . 0 0 "[ . 1]" 1
304 1 41 SER HA 1 41 SER HB3 2.197 . 2.800 2.527 2.292 3.030 0.230 5 0 "[ . 1]" 1
305 1 41 SER HA 1 42 SER H 4.166 . 6.336 2.580 2.117 3.529 . 0 0 "[ . 1]" 1
306 1 42 SER HA 1 42 SER HB3 2.669 . 3.560 2.504 2.402 3.031 . 0 0 "[ . 1]" 1
307 1 42 SER HA 1 43 ARG H 3.585 . 5.191 2.659 2.150 3.525 . 0 0 "[ . 1]" 1
308 1 43 ARG H 1 43 ARG HB3 2.860 . 3.883 3.068 2.605 3.603 . 0 0 "[ . 1]" 1
309 1 43 ARG HB3 1 43 ARG HG3 2.343 . 3.029 2.855 2.407 3.015 . 0 0 "[ . 1]" 1
310 1 43 ARG QD 1 43 ARG HG3 2.071 . 2.607 2.291 2.170 2.376 . 0 0 "[ . 1]" 1
311 1 43 ARG QD 1 44 ASN QB 3.747 . 5.502 4.534 4.018 4.971 . 0 0 "[ . 1]" 1
312 1 44 ASN HA 1 44 ASN QB 3.049 . 4.211 2.394 2.357 2.442 . 0 0 "[ . 1]" 1
313 1 45 LEU H 1 45 LEU HB3 2.670 . 3.561 3.358 2.607 4.151 0.590 10 1 "[ . +]" 1
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