NMR Restraints Grid
| |
NMR Restraints Grid |
|
Result table
| image | mrblock_id | pdb_id | bmrb_id | cing | stage | program | type | subtype | subsubtype |
|
|
448821 |
2obu   |
6681 | cing | 4-filtered-FRED | Wattos | check | violation | distance |
data_2obu
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 460
_Distance_constraint_stats_list.Viol_count 2199
_Distance_constraint_stats_list.Viol_total 12241.934
_Distance_constraint_stats_list.Viol_max 2.527
_Distance_constraint_stats_list.Viol_rms 0.1768
_Distance_constraint_stats_list.Viol_average_all_restraints 0.0665
_Distance_constraint_stats_list.Viol_average_violations_only 0.2784
_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 TYR 6.408 0.367 3 0 "[ . 1 . 2]"
1 2 ALA 5.505 0.367 3 0 "[ . 1 . 2]"
1 3 GLU 29.009 1.150 18 16 "[******** ****** + -]"
1 4 GLY 13.625 0.673 2 6 "[*+* * * - . 2]"
1 5 THR 35.226 0.848 5 20 [****+*-*************]
1 6 PHE 42.645 1.150 18 20 [*********-*******+**]
1 7 ILE 25.088 0.848 5 17 "[****+***-**** *** *]"
1 8 SER 35.412 0.579 5 10 "[ ** + -**1 *.* * *]"
1 9 ASP 36.012 1.113 17 13 "[ ***.***** *-.*+ *]"
1 10 TYR 16.146 0.508 17 1 "[ . 1 . + 2]"
1 11 SER 39.685 0.641 8 12 "[ ***.* +** *-.** *]"
1 12 ILE 34.369 1.113 17 7 "[ * . *- * . + **]"
1 13 ALA 7.736 0.642 17 2 "[ . - 1 . + 2]"
1 14 MET 26.801 0.699 9 12 "[ -** *+1 **** ***2]"
1 15 ASP 2.396 0.365 4 0 "[ . 1 . 2]"
1 16 LYS 16.495 0.927 12 8 "[ * . * * + -. ** *]"
1 17 ILE 19.301 0.876 13 2 "[ . 1 + - 2]"
1 18 HIS 59.414 0.947 17 19 [***-**********.*+***]
1 19 GLN 55.162 0.947 17 17 "[****** * ****-.*+***]"
1 20 GLN 18.967 0.771 17 7 "[ ***. 1** . + -]"
1 21 ASP 6.339 0.526 19 1 "[ . 1 . +2]"
1 22 PHE 29.844 0.776 1 20 [+********-**********]
1 23 VAL 18.691 0.510 10 1 "[ . + . 2]"
1 24 ASN 13.323 0.771 17 7 "[ * *. 1** . + -*]"
1 25 TRP 48.396 1.799 13 20 [*****-******+*******]
1 26 LEU 39.410 0.998 17 17 "[** **** ** *-***+***]"
1 27 LEU 16.830 1.166 13 5 "[ * *1 +-.* 2]"
1 28 ALA 5.384 0.524 19 2 "[ . 1 - +2]"
1 29 GLN 64.268 1.799 13 20 [********-***+*******]
1 30 LYS 41.187 1.629 11 17 "[** *** ***+*-**** **]"
1 31 GLY 13.589 1.016 8 8 "[ * .* +** - **]"
1 32 LYS 52.293 2.527 7 19 "[** ***+***********-*]"
1 33 LYS 47.140 1.293 12 13 "[ * .******+* - * **]"
1 34 ASN 18.675 0.893 19 10 "[ .**-** ** * * +2]"
1 35 ASP 16.338 0.947 1 8 "[+* . * *1 -** *2]"
1 36 TRP 45.275 1.405 16 19 "[*** **********-+****]"
1 37 LYS 51.369 2.527 7 18 "[*** **+*** ***-*****]"
1 38 HIS 14.059 1.438 19 4 "[ - . 1 * * +2]"
1 39 ASN 27.066 1.438 19 16 "[*** **** 1* -*****+*]"
1 40 ILE 12.309 0.968 17 4 "[ . * *- + 2]"
1 41 THR 0.346 0.176 17 0 "[ . 1 . 2]"
1 42 GLN 1.864 0.316 20 0 "[ . 1 . 2]"
stop_
loop_
_Distance_constraint_stats.Restraint_ID
_Distance_constraint_stats.Atom_1_entity_assembly_ID
_Distance_constraint_stats.Atom_1_comp_index_ID
_Distance_constraint_stats.Atom_1_comp_ID
_Distance_constraint_stats.Atom_1_ID
_Distance_constraint_stats.Atom_2_entity_assembly_ID
_Distance_constraint_stats.Atom_2_comp_index_ID
_Distance_constraint_stats.Atom_2_comp_ID
_Distance_constraint_stats.Atom_2_ID
_Distance_constraint_stats.Node_1_distance_val
_Distance_constraint_stats.Node_1_distance_lower_bound_val
_Distance_constraint_stats.Node_1_distance_upper_bound_val
_Distance_constraint_stats.Distance_average
_Distance_constraint_stats.Distance_minimum
_Distance_constraint_stats.Distance_maximum
_Distance_constraint_stats.Max_violation
_Distance_constraint_stats.Max_violation_model_number
_Distance_constraint_stats.Over_cutoff_violation_count
_Distance_constraint_stats.Over_cutoff_viol_per_model
_Distance_constraint_stats.Distance_constraint_stats_ID
1 1 1 TYR HA 1 1 TYR HB2 . . 2.460 2.491 2.454 2.575 0.115 18 0 "[ . 1 . 2]" 1
2 1 1 TYR HA 1 1 TYR HB3 . . 2.520 2.542 2.448 2.590 0.070 1 0 "[ . 1 . 2]" 1
3 1 1 TYR HA 1 2 ALA H . . 2.900 2.575 2.402 2.712 . 0 0 "[ . 1 . 2]" 1
4 1 1 TYR HB2 1 2 ALA H . . 3.580 2.538 2.401 2.894 . 0 0 "[ . 1 . 2]" 1
5 1 1 TYR HB3 1 2 ALA H . . 3.670 3.932 3.851 4.037 0.367 3 0 "[ . 1 . 2]" 1
6 1 2 ALA HA 1 3 GLU H . . 2.800 2.448 2.353 2.551 . 0 0 "[ . 1 . 2]" 1
7 1 2 ALA MB 1 3 GLU H . . 4.570 2.856 2.389 3.814 . 0 0 "[ . 1 . 2]" 1
8 1 2 ALA MB 1 5 THR H . . 5.970 3.644 2.741 6.241 0.271 20 0 "[ . 1 . 2]" 1
9 1 3 GLU H 1 3 GLU HA . . 2.860 2.841 2.325 2.998 0.138 14 0 "[ . 1 . 2]" 1
10 1 3 GLU H 1 3 GLU HB2 . . 2.800 2.638 2.361 3.741 0.941 18 1 "[ . 1 . + 2]" 1
11 1 3 GLU H 1 3 GLU HB3 . . 2.990 2.713 2.512 3.691 0.701 14 2 "[ . 1 +. -]" 1
12 1 3 GLU HA 1 3 GLU HB2 . . 2.620 2.538 2.411 3.065 0.445 14 0 "[ . 1 . 2]" 1
13 1 3 GLU HA 1 3 GLU HB3 . . 3.020 3.019 2.422 3.088 0.068 15 0 "[ . 1 . 2]" 1
14 1 3 GLU HA 1 4 GLY H . . 3.240 3.274 2.409 3.666 0.426 7 0 "[ . 1 . 2]" 1
15 1 3 GLU HA 1 5 THR H . . 4.660 3.574 2.971 3.824 . 0 0 "[ . 1 . 2]" 1
16 1 3 GLU HA 1 6 PHE H . . 4.100 4.255 3.848 4.511 0.411 1 0 "[ . 1 . 2]" 1
17 1 3 GLU HA 1 6 PHE QB . . 4.520 5.294 4.824 5.670 1.150 18 16 "[******** ****** + -]" 1
18 1 4 GLY H 1 4 GLY QA . . 2.710 2.241 2.206 2.344 . 0 0 "[ . 1 . 2]" 1
19 1 4 GLY H 1 5 THR H . . 3.210 2.978 2.423 3.195 . 0 0 "[ . 1 . 2]" 1
20 1 4 GLY H 1 6 PHE H . . 4.540 4.606 2.966 5.213 0.673 2 6 "[*+* * * - . 2]" 1
21 1 4 GLY QA 1 5 THR H . . 3.210 3.006 2.900 3.097 . 0 0 "[ . 1 . 2]" 1
22 1 4 GLY QA 1 5 THR MG . . 6.160 4.932 4.185 5.431 . 0 0 "[ . 1 . 2]" 1
23 1 4 GLY QA 1 7 ILE H . . 3.580 2.919 2.674 3.158 . 0 0 "[ . 1 . 2]" 1
24 1 4 GLY QA 1 7 ILE HB . . 2.590 2.616 2.411 2.876 0.286 1 0 "[ . 1 . 2]" 1
25 1 5 THR H 1 5 THR HA . . 2.710 2.756 2.674 2.903 0.193 14 0 "[ . 1 . 2]" 1
26 1 5 THR H 1 6 PHE H . . 3.110 3.045 2.608 3.268 0.158 5 0 "[ . 1 . 2]" 1
27 1 5 THR H 1 7 ILE H . . 3.700 4.354 3.911 4.548 0.848 5 17 "[****+***-**** *** *]" 1
28 1 5 THR HA 1 5 THR MG . . 3.430 2.697 2.354 3.316 . 0 0 "[ . 1 . 2]" 1
29 1 5 THR HA 1 6 PHE QB . . 4.980 5.533 5.480 5.570 0.590 10 19 [*******-*+*********2] 1
30 1 5 THR HA 1 8 SER HB2 . . 3.300 3.746 3.523 3.879 0.579 5 9 "[ ** + -**1 *.* * 2]" 1
31 1 5 THR HA 1 8 SER HB3 . . 3.390 2.874 2.746 3.013 . 0 0 "[ . 1 . 2]" 1
32 1 5 THR HA 1 9 ASP H . . 4.200 3.963 3.802 4.082 . 0 0 "[ . 1 . 2]" 1
33 1 5 THR MG 1 6 PHE H . . 5.100 3.269 2.283 4.288 . 0 0 "[ . 1 . 2]" 1
34 1 6 PHE H 1 6 PHE HA . . 2.990 2.870 2.838 2.896 . 0 0 "[ . 1 . 2]" 1
35 1 6 PHE H 1 6 PHE QB . . 3.870 2.453 2.397 2.496 . 0 0 "[ . 1 . 2]" 1
36 1 6 PHE HA 1 7 ILE H . . 3.610 3.643 3.631 3.654 0.044 16 0 "[ . 1 . 2]" 1
37 1 6 PHE HA 1 9 ASP H . . 3.890 3.244 3.125 3.318 . 0 0 "[ . 1 . 2]" 1
38 1 6 PHE HA 1 9 ASP HB2 . . 3.420 3.410 3.271 3.499 0.079 12 0 "[ . 1 . 2]" 1
39 1 6 PHE HA 1 10 TYR H . . 3.950 3.910 3.839 3.986 0.036 4 0 "[ . 1 . 2]" 1
40 1 6 PHE QB 1 7 ILE H . . 4.420 3.591 3.560 3.649 . 0 0 "[ . 1 . 2]" 1
41 1 6 PHE QB 1 7 ILE HA . . 5.140 4.619 4.554 4.752 . 0 0 "[ . 1 . 2]" 1
42 1 6 PHE HZ 1 7 ILE HA . . 4.660 4.819 4.592 4.932 0.272 18 0 "[ . 1 . 2]" 1
43 1 6 PHE HZ 1 7 ILE MD . . 6.530 2.896 2.430 3.478 . 0 0 "[ . 1 . 2]" 1
44 1 6 PHE HZ 1 7 ILE MG . . 6.530 5.151 4.886 5.374 . 0 0 "[ . 1 . 2]" 1
45 1 7 ILE H 1 7 ILE HA . . 3.050 2.857 2.839 2.882 . 0 0 "[ . 1 . 2]" 1
46 1 7 ILE H 1 7 ILE HB . . 2.860 2.562 2.520 2.620 . 0 0 "[ . 1 . 2]" 1
47 1 7 ILE H 1 7 ILE HG12 . . 3.550 3.031 2.372 3.591 0.041 14 0 "[ . 1 . 2]" 1
48 1 7 ILE H 1 7 ILE HG13 . . 3.830 2.934 2.301 3.714 . 0 0 "[ . 1 . 2]" 1
49 1 7 ILE HA 1 7 ILE HB . . 3.080 3.073 3.070 3.078 . 0 0 "[ . 1 . 2]" 1
50 1 7 ILE HA 1 7 ILE HG12 . . 3.760 2.763 2.542 3.081 . 0 0 "[ . 1 . 2]" 1
51 1 7 ILE HA 1 7 ILE HG13 . . 3.890 3.399 3.000 3.873 . 0 0 "[ . 1 . 2]" 1
52 1 7 ILE HA 1 9 ASP H . . 4.540 4.608 4.545 4.671 0.131 18 0 "[ . 1 . 2]" 1
53 1 7 ILE HA 1 10 TYR H . . 4.040 3.280 3.193 3.356 . 0 0 "[ . 1 . 2]" 1
54 1 7 ILE HA 1 10 TYR HB2 . . 3.110 3.381 3.189 3.474 0.364 6 0 "[ . 1 . 2]" 1
55 1 7 ILE HA 1 10 TYR HB3 . . 2.930 2.678 2.595 2.774 . 0 0 "[ . 1 . 2]" 1
56 1 7 ILE HA 1 11 SER H . . 4.070 3.850 3.687 3.979 . 0 0 "[ . 1 . 2]" 1
57 1 7 ILE HB 1 8 SER H . . 2.740 2.572 2.519 2.627 . 0 0 "[ . 1 . 2]" 1
58 1 7 ILE MG 1 8 SER H . . 4.920 3.318 3.241 3.390 . 0 0 "[ . 1 . 2]" 1
59 1 7 ILE MG 1 8 SER HA . . 5.600 3.237 3.131 3.347 . 0 0 "[ . 1 . 2]" 1
60 1 7 ILE MG 1 10 TYR H . . 6.060 4.508 4.444 4.567 . 0 0 "[ . 1 . 2]" 1
61 1 7 ILE MG 1 11 SER H . . 6.530 3.631 3.537 3.735 . 0 0 "[ . 1 . 2]" 1
62 1 7 ILE MG 1 11 SER HA . . 6.120 4.975 4.872 5.092 . 0 0 "[ . 1 . 2]" 1
63 1 8 SER H 1 8 SER HA . . 3.110 2.819 2.801 2.842 . 0 0 "[ . 1 . 2]" 1
64 1 8 SER H 1 8 SER HB2 . . 2.990 2.582 2.549 2.639 . 0 0 "[ . 1 . 2]" 1
65 1 8 SER H 1 8 SER HB3 . . 3.170 2.619 2.591 2.654 . 0 0 "[ . 1 . 2]" 1
66 1 8 SER H 1 9 ASP H . . 3.270 2.871 2.793 2.924 . 0 0 "[ . 1 . 2]" 1
67 1 8 SER HA 1 8 SER HB2 . . 2.800 2.499 2.486 2.518 . 0 0 "[ . 1 . 2]" 1
68 1 8 SER HA 1 8 SER HB3 . . 2.800 3.084 3.078 3.090 0.290 3 0 "[ . 1 . 2]" 1
69 1 8 SER HA 1 9 ASP H . . 3.360 3.678 3.666 3.688 0.328 20 0 "[ . 1 . 2]" 1
70 1 8 SER HA 1 11 SER H . . 3.950 3.512 3.324 3.626 . 0 0 "[ . 1 . 2]" 1
71 1 8 SER HA 1 11 SER HB2 . . 3.670 4.057 3.668 4.215 0.545 16 3 "[ . - 1 .+ *]" 1
72 1 8 SER HA 1 11 SER HB3 . . 3.270 2.980 2.796 3.087 . 0 0 "[ . 1 . 2]" 1
73 1 8 SER HB2 1 9 ASP H . . 3.610 3.945 3.917 3.958 0.348 9 0 "[ . 1 . 2]" 1
74 1 8 SER HB3 1 9 ASP H . . 3.450 2.579 2.542 2.622 . 0 0 "[ . 1 . 2]" 1
75 1 9 ASP H 1 9 ASP HA . . 2.900 2.836 2.823 2.847 . 0 0 "[ . 1 . 2]" 1
76 1 9 ASP H 1 9 ASP HB2 . . 2.960 2.589 2.563 2.617 . 0 0 "[ . 1 . 2]" 1
77 1 9 ASP H 1 9 ASP HB3 . . 3.170 2.606 2.570 2.638 . 0 0 "[ . 1 . 2]" 1
78 1 9 ASP H 1 10 TYR H . . 3.080 2.787 2.757 2.834 . 0 0 "[ . 1 . 2]" 1
79 1 9 ASP H 1 11 SER H . . 3.950 4.440 4.230 4.591 0.641 8 11 "[ ***.* +** *-.* *]" 1
80 1 9 ASP HA 1 9 ASP HB2 . . 3.050 2.503 2.488 2.517 . 0 0 "[ . 1 . 2]" 1
81 1 9 ASP HA 1 9 ASP HB3 . . 2.740 3.080 3.073 3.084 0.344 6 0 "[ . 1 . 2]" 1
82 1 9 ASP HA 1 12 ILE H . . 3.640 3.701 3.513 3.817 0.177 20 0 "[ . 1 . 2]" 1
83 1 9 ASP HA 1 12 ILE HB . . 3.110 2.917 2.563 4.223 1.113 17 2 "[ . - 1 . + 2]" 1
84 1 9 ASP HA 1 12 ILE MD . . 5.440 4.047 2.917 5.686 0.246 17 0 "[ . 1 . 2]" 1
85 1 9 ASP HA 1 12 ILE MG . . 5.500 3.568 2.338 4.073 . 0 0 "[ . 1 . 2]" 1
86 1 9 ASP HA 1 13 ALA H . . 3.830 3.719 3.637 3.846 0.016 8 0 "[ . 1 . 2]" 1
87 1 9 ASP HB3 1 10 TYR H . . 3.520 2.761 2.651 2.841 . 0 0 "[ . 1 . 2]" 1
88 1 10 TYR H 1 10 TYR HB2 . . 2.960 2.531 2.466 2.591 . 0 0 "[ . 1 . 2]" 1
89 1 10 TYR H 1 10 TYR HB3 . . 2.740 2.611 2.561 2.676 . 0 0 "[ . 1 . 2]" 1
90 1 10 TYR H 1 11 SER H . . 3.480 2.698 2.658 2.734 . 0 0 "[ . 1 . 2]" 1
91 1 10 TYR H 1 12 ILE H . . 5.310 4.171 4.052 4.507 . 0 0 "[ . 1 . 2]" 1
92 1 10 TYR H 1 13 ALA H . . 4.540 4.508 4.360 4.612 0.072 17 0 "[ . 1 . 2]" 1
93 1 10 TYR HA 1 10 TYR HB2 . . 2.740 2.530 2.505 2.561 . 0 0 "[ . 1 . 2]" 1
94 1 10 TYR HA 1 10 TYR HB3 . . 3.020 3.083 3.080 3.085 0.065 11 0 "[ . 1 . 2]" 1
95 1 10 TYR HA 1 11 SER H . . 3.760 3.665 3.653 3.680 . 0 0 "[ . 1 . 2]" 1
96 1 10 TYR HA 1 13 ALA H . . 3.790 3.488 3.252 3.618 . 0 0 "[ . 1 . 2]" 1
97 1 10 TYR HA 1 13 ALA MB . . 3.860 2.566 2.472 2.657 . 0 0 "[ . 1 . 2]" 1
98 1 10 TYR HB2 1 11 SER H . . 3.480 3.906 3.835 3.988 0.508 17 1 "[ . 1 . + 2]" 1
99 1 10 TYR HB3 1 11 SER H . . 3.450 2.621 2.543 2.744 . 0 0 "[ . 1 . 2]" 1
100 1 10 TYR HB3 1 11 SER HA . . 4.230 4.253 4.178 4.307 0.077 3 0 "[ . 1 . 2]" 1
101 1 11 SER H 1 11 SER HA . . 2.990 2.873 2.862 2.885 . 0 0 "[ . 1 . 2]" 1
102 1 11 SER H 1 11 SER HB2 . . 3.170 2.624 2.578 2.655 . 0 0 "[ . 1 . 2]" 1
103 1 11 SER H 1 11 SER HB3 . . 3.240 2.556 2.531 2.590 . 0 0 "[ . 1 . 2]" 1
104 1 11 SER H 1 12 ILE H . . 3.420 2.697 2.656 2.761 . 0 0 "[ . 1 . 2]" 1
105 1 11 SER HA 1 11 SER HB2 . . 2.590 2.496 2.483 2.504 . 0 0 "[ . 1 . 2]" 1
106 1 11 SER HA 1 11 SER HB3 . . 2.930 3.084 3.081 3.094 0.164 13 0 "[ . 1 . 2]" 1
107 1 11 SER HA 1 12 ILE H . . 3.550 3.666 3.655 3.687 0.137 17 0 "[ . 1 . 2]" 1
108 1 11 SER HA 1 12 ILE MD . . 6.530 6.474 5.995 6.760 0.230 18 0 "[ . 1 . 2]" 1
109 1 11 SER HA 1 14 MET H . . 3.240 3.240 3.123 3.363 0.123 2 0 "[ . 1 . 2]" 1
110 1 11 SER HA 1 14 MET QB . . 2.990 2.723 2.549 2.973 . 0 0 "[ . 1 . 2]" 1
111 1 11 SER HA 1 14 MET ME . . 5.190 4.510 3.908 5.340 0.150 13 0 "[ . 1 . 2]" 1
112 1 11 SER HA 1 14 MET QG . . 5.690 4.631 4.215 5.181 . 0 0 "[ . 1 . 2]" 1
113 1 11 SER HB2 1 12 ILE H . . 3.670 3.944 3.898 3.990 0.320 12 0 "[ . 1 . 2]" 1
114 1 11 SER HB3 1 12 ILE H . . 3.240 2.596 2.528 2.640 . 0 0 "[ . 1 . 2]" 1
115 1 12 ILE H 1 12 ILE HB . . 3.020 2.445 2.305 2.499 . 0 0 "[ . 1 . 2]" 1
116 1 12 ILE H 1 12 ILE MD . . 5.290 3.859 3.556 4.491 . 0 0 "[ . 1 . 2]" 1
117 1 12 ILE H 1 12 ILE HG12 . . 3.830 3.598 2.432 4.292 0.462 17 0 "[ . 1 . 2]" 1
118 1 12 ILE H 1 12 ILE HG13 . . 4.230 3.247 2.415 4.710 0.480 17 0 "[ . 1 . 2]" 1
119 1 12 ILE H 1 14 MET H . . 3.950 4.239 4.061 4.475 0.525 8 1 "[ . + 1 . 2]" 1
120 1 12 ILE HA 1 12 ILE HB . . 2.990 2.980 2.631 3.070 0.080 10 0 "[ . 1 . 2]" 1
121 1 12 ILE HA 1 12 ILE HG12 . . 3.390 2.623 2.414 2.961 . 0 0 "[ . 1 . 2]" 1
122 1 12 ILE HA 1 12 ILE HG13 . . 3.270 3.229 2.789 3.837 0.567 10 4 "[ * . * + . -]" 1
123 1 12 ILE HA 1 13 ALA H . . 3.640 3.667 3.633 3.679 0.039 6 0 "[ . 1 . 2]" 1
124 1 12 ILE HA 1 15 ASP H . . 3.450 3.364 3.056 3.590 0.140 2 0 "[ . 1 . 2]" 1
125 1 12 ILE HA 1 15 ASP QB . . 2.900 2.639 2.487 2.947 0.047 10 0 "[ . 1 . 2]" 1
126 1 12 ILE HA 1 16 LYS H . . 4.380 3.886 3.627 4.018 . 0 0 "[ . 1 . 2]" 1
127 1 12 ILE HB 1 13 ALA H . . 3.270 2.943 2.584 3.912 0.642 17 2 "[ . - 1 . + 2]" 1
128 1 12 ILE HB 1 14 MET H . . 5.410 5.388 5.095 5.980 0.570 19 2 "[ . 1 . - +2]" 1
129 1 12 ILE MG 1 13 ALA H . . 5.320 3.030 2.325 3.379 . 0 0 "[ . 1 . 2]" 1
130 1 12 ILE MG 1 13 ALA HA . . 4.790 3.130 3.051 3.235 . 0 0 "[ . 1 . 2]" 1
131 1 13 ALA H 1 13 ALA HA . . 3.020 2.819 2.791 2.857 . 0 0 "[ . 1 . 2]" 1
132 1 13 ALA H 1 14 MET H . . 3.360 2.869 2.717 2.969 . 0 0 "[ . 1 . 2]" 1
133 1 13 ALA HA 1 14 MET H . . 3.610 3.687 3.662 3.710 0.100 19 0 "[ . 1 . 2]" 1
134 1 13 ALA HA 1 15 ASP H . . 4.850 4.674 4.541 4.832 . 0 0 "[ . 1 . 2]" 1
135 1 13 ALA HA 1 16 LYS H . . 3.520 3.323 3.143 3.580 0.060 8 0 "[ . 1 . 2]" 1
136 1 13 ALA HA 1 16 LYS QB . . 3.050 2.733 2.520 2.904 . 0 0 "[ . 1 . 2]" 1
137 1 13 ALA HA 1 17 ILE H . . 3.950 3.744 3.309 4.096 0.146 13 0 "[ . 1 . 2]" 1
138 1 13 ALA HA 1 17 ILE HG13 . . 5.500 3.621 3.356 5.431 . 0 0 "[ . 1 . 2]" 1
139 1 13 ALA HA 1 17 ILE MG . . 5.940 6.061 5.919 6.433 0.493 13 0 "[ . 1 . 2]" 1
140 1 13 ALA MB 1 14 MET H . . 4.540 2.576 2.463 2.671 . 0 0 "[ . 1 . 2]" 1
141 1 13 ALA MB 1 15 ASP H . . 6.530 4.733 4.685 4.791 . 0 0 "[ . 1 . 2]" 1
142 1 13 ALA MB 1 16 LYS H . . 5.720 4.526 4.361 4.707 . 0 0 "[ . 1 . 2]" 1
143 1 14 MET H 1 14 MET QB . . 3.210 2.293 2.256 2.329 . 0 0 "[ . 1 . 2]" 1
144 1 14 MET H 1 14 MET ME . . 4.790 4.082 2.866 4.893 0.103 19 0 "[ . 1 . 2]" 1
145 1 14 MET H 1 14 MET QG . . 5.010 4.111 4.043 4.168 . 0 0 "[ . 1 . 2]" 1
146 1 14 MET H 1 15 ASP H . . 3.210 2.875 2.768 2.959 . 0 0 "[ . 1 . 2]" 1
147 1 14 MET HA 1 14 MET QB . . 2.460 2.448 2.352 2.592 0.132 15 0 "[ . 1 . 2]" 1
148 1 14 MET HA 1 14 MET ME . . 3.890 3.359 2.158 4.589 0.699 9 5 "[ . *+1 -. **2]" 1
149 1 14 MET HA 1 15 ASP H . . 3.730 3.661 3.640 3.677 . 0 0 "[ . 1 . 2]" 1
150 1 14 MET HA 1 17 ILE H . . 3.700 3.520 3.217 3.858 0.158 12 0 "[ . 1 . 2]" 1
151 1 14 MET HA 1 17 ILE HB . . 2.680 2.849 2.610 3.205 0.525 15 1 "[ . 1 + 2]" 1
152 1 14 MET HA 1 17 ILE MD . . 5.720 2.660 2.451 4.480 . 0 0 "[ . 1 . 2]" 1
153 1 14 MET HA 1 17 ILE MG . . 4.820 4.226 4.006 4.601 . 0 0 "[ . 1 . 2]" 1
154 1 14 MET HA 1 18 HIS H . . 4.040 4.401 4.145 4.664 0.624 13 5 "[ -** 1 *+ . 2]" 1
155 1 14 MET HA 1 18 HIS HD2 . . 5.500 5.139 4.846 5.765 0.265 13 0 "[ . 1 . 2]" 1
156 1 14 MET QB 1 15 ASP H . . 3.360 2.494 2.411 2.607 . 0 0 "[ . 1 . 2]" 1
157 1 14 MET ME 1 15 ASP H . . 5.320 4.690 2.741 5.634 0.314 17 0 "[ . 1 . 2]" 1
158 1 14 MET QG 1 18 HIS HD2 . . 6.380 3.852 3.104 4.732 . 0 0 "[ . 1 . 2]" 1
159 1 15 ASP H 1 15 ASP HA . . 3.080 2.828 2.796 2.855 . 0 0 "[ . 1 . 2]" 1
160 1 15 ASP H 1 15 ASP QB . . 2.990 2.299 2.283 2.318 . 0 0 "[ . 1 . 2]" 1
161 1 15 ASP H 1 16 LYS H . . 3.300 2.793 2.715 2.876 . 0 0 "[ . 1 . 2]" 1
162 1 15 ASP HA 1 17 ILE H . . 4.720 4.545 4.158 5.085 0.365 4 0 "[ . 1 . 2]" 1
163 1 15 ASP QB 1 16 LYS H . . 3.170 2.643 2.520 2.930 . 0 0 "[ . 1 . 2]" 1
164 1 16 LYS H 1 16 LYS HA . . 2.860 2.904 2.858 2.950 0.090 15 0 "[ . 1 . 2]" 1
165 1 16 LYS H 1 16 LYS QB . . 2.960 2.269 2.222 2.314 . 0 0 "[ . 1 . 2]" 1
166 1 16 LYS H 1 16 LYS QD . . 5.480 4.032 2.470 4.550 . 0 0 "[ . 1 . 2]" 1
167 1 16 LYS HA 1 16 LYS QB . . 2.770 2.524 2.378 2.614 . 0 0 "[ . 1 . 2]" 1
168 1 16 LYS HA 1 16 LYS QD . . 4.420 3.095 2.261 4.064 . 0 0 "[ . 1 . 2]" 1
169 1 16 LYS HA 1 17 ILE H . . 3.520 3.600 3.509 3.654 0.134 3 0 "[ . 1 . 2]" 1
170 1 16 LYS HA 1 18 HIS H . . 4.420 4.616 4.372 4.870 0.450 9 0 "[ . 1 . 2]" 1
171 1 16 LYS HA 1 19 GLN HB2 . . 3.050 3.491 3.030 3.977 0.927 12 8 "[ * . * * + -. ** *]" 1
172 1 16 LYS HA 1 19 GLN HB3 . . 2.860 2.588 2.399 2.833 . 0 0 "[ . 1 . 2]" 1
173 1 16 LYS HA 1 19 GLN HG2 . . 5.500 4.801 4.270 5.203 . 0 0 "[ . 1 . 2]" 1
174 1 16 LYS HA 1 19 GLN HG3 . . 5.500 5.389 4.875 5.852 0.352 12 0 "[ . 1 . 2]" 1
175 1 16 LYS HA 1 20 GLN H . . 4.290 3.678 3.061 3.918 . 0 0 "[ . 1 . 2]" 1
176 1 16 LYS QB 1 17 ILE H . . 3.360 3.013 2.523 3.412 0.052 5 0 "[ . 1 . 2]" 1
177 1 17 ILE H 1 17 ILE HB . . 3.050 2.421 2.364 2.521 . 0 0 "[ . 1 . 2]" 1
178 1 17 ILE H 1 17 ILE MD . . 5.160 3.546 3.451 3.921 . 0 0 "[ . 1 . 2]" 1
179 1 17 ILE H 1 17 ILE HG12 . . 3.890 3.874 2.616 4.074 0.184 7 0 "[ . 1 . 2]" 1
180 1 17 ILE H 1 17 ILE HG13 . . 3.640 2.667 2.358 3.785 0.145 13 0 "[ . 1 . 2]" 1
181 1 17 ILE HA 1 17 ILE HB . . 3.080 3.050 3.044 3.054 . 0 0 "[ . 1 . 2]" 1
182 1 17 ILE HA 1 17 ILE MD . . 4.730 3.799 2.276 3.892 . 0 0 "[ . 1 . 2]" 1
183 1 17 ILE HA 1 17 ILE HG12 . . 3.140 2.620 2.557 2.847 . 0 0 "[ . 1 . 2]" 1
184 1 17 ILE HA 1 17 ILE HG13 . . 3.170 2.691 2.593 3.786 0.616 13 1 "[ . 1 + . 2]" 1
185 1 17 ILE HA 1 18 HIS H . . 3.700 3.714 3.701 3.727 0.027 9 0 "[ . 1 . 2]" 1
186 1 17 ILE HA 1 19 GLN H . . 4.630 4.472 4.328 4.727 0.097 3 0 "[ . 1 . 2]" 1
187 1 17 ILE HA 1 20 GLN H . . 3.860 3.397 3.027 4.097 0.237 3 0 "[ . 1 . 2]" 1
188 1 17 ILE HA 1 20 GLN QB . . 3.170 2.670 2.517 2.939 . 0 0 "[ . 1 . 2]" 1
189 1 17 ILE HA 1 21 ASP H . . 3.670 3.540 3.243 3.725 0.055 1 0 "[ . 1 . 2]" 1
190 1 17 ILE HB 1 18 HIS H . . 3.210 2.761 2.620 2.881 . 0 0 "[ . 1 . 2]" 1
191 1 17 ILE HB 1 18 HIS HD2 . . 5.500 5.063 4.710 5.258 . 0 0 "[ . 1 . 2]" 1
192 1 17 ILE MD 1 18 HIS H . . 6.530 4.725 4.559 5.037 . 0 0 "[ . 1 . 2]" 1
193 1 17 ILE MD 1 18 HIS HD2 . . 6.530 6.425 6.036 7.406 0.876 13 1 "[ . 1 + . 2]" 1
194 1 17 ILE HG13 1 18 HIS H . . 4.510 4.788 4.674 5.106 0.596 13 1 "[ . 1 + . 2]" 1
195 1 17 ILE MG 1 18 HIS H . . 5.070 3.060 2.930 3.172 . 0 0 "[ . 1 . 2]" 1
196 1 17 ILE MG 1 18 HIS HD2 . . 5.660 5.336 5.159 5.497 . 0 0 "[ . 1 . 2]" 1
197 1 18 HIS H 1 18 HIS HA . . 2.930 2.835 2.809 2.869 . 0 0 "[ . 1 . 2]" 1
198 1 18 HIS H 1 18 HIS HB2 . . 3.360 3.716 3.695 3.730 0.370 13 0 "[ . 1 . 2]" 1
199 1 18 HIS H 1 18 HIS HB3 . . 2.990 2.585 2.490 2.643 . 0 0 "[ . 1 . 2]" 1
200 1 18 HIS H 1 18 HIS HD2 . . 5.500 2.972 2.599 3.068 . 0 0 "[ . 1 . 2]" 1
201 1 18 HIS HA 1 18 HIS HB2 . . 2.900 2.423 2.396 2.452 . 0 0 "[ . 1 . 2]" 1
202 1 18 HIS HA 1 18 HIS HB3 . . 3.140 2.504 2.457 2.578 . 0 0 "[ . 1 . 2]" 1
203 1 18 HIS HA 1 18 HIS HD2 . . 4.040 4.702 4.539 4.732 0.692 20 19 [*********-****.****+] 1
204 1 18 HIS HA 1 19 GLN H . . 3.610 3.656 3.643 3.681 0.071 3 0 "[ . 1 . 2]" 1
205 1 18 HIS HA 1 20 GLN H . . 4.720 4.707 4.413 5.267 0.547 3 1 "[ + . 1 . 2]" 1
206 1 18 HIS HA 1 21 ASP H . . 3.550 3.618 3.437 3.861 0.311 13 0 "[ . 1 . 2]" 1
207 1 18 HIS HA 1 21 ASP QB . . 2.800 2.659 2.430 2.778 . 0 0 "[ . 1 . 2]" 1
208 1 18 HIS HB2 1 19 GLN H . . 3.860 3.989 3.939 4.097 0.237 15 0 "[ . 1 . 2]" 1
209 1 18 HIS HB3 1 19 GLN H . . 3.950 4.033 3.956 4.112 0.162 17 0 "[ . 1 . 2]" 1
210 1 18 HIS HD2 1 19 GLN HA . . 5.500 6.128 5.387 6.447 0.947 17 16 "[****** * **** .*+*-*]" 1
211 1 19 GLN H 1 19 GLN HA . . 2.990 2.859 2.842 2.876 . 0 0 "[ . 1 . 2]" 1
212 1 19 GLN H 1 19 GLN HB2 . . 3.050 2.589 2.425 2.729 . 0 0 "[ . 1 . 2]" 1
213 1 19 GLN H 1 19 GLN HB3 . . 2.990 2.583 2.523 2.759 . 0 0 "[ . 1 . 2]" 1
214 1 19 GLN H 1 19 GLN HG2 . . 4.380 4.564 4.484 4.709 0.329 15 0 "[ . 1 . 2]" 1
215 1 19 GLN H 1 19 GLN HG3 . . 4.140 4.568 4.507 4.605 0.465 3 0 "[ . 1 . 2]" 1
216 1 19 GLN H 1 20 GLN H . . 3.080 2.782 2.678 2.945 . 0 0 "[ . 1 . 2]" 1
217 1 19 GLN H 1 21 ASP H . . 4.200 4.279 4.145 4.481 0.281 13 0 "[ . 1 . 2]" 1
218 1 19 GLN HA 1 19 GLN HB2 . . 3.050 2.500 2.431 2.637 . 0 0 "[ . 1 . 2]" 1
219 1 19 GLN HA 1 19 GLN HB3 . . 2.960 3.081 3.070 3.087 0.127 14 0 "[ . 1 . 2]" 1
220 1 19 GLN HA 1 19 GLN HG2 . . 3.790 3.339 3.110 3.794 0.004 9 0 "[ . 1 . 2]" 1
221 1 19 GLN HA 1 19 GLN HG3 . . 3.300 2.701 2.510 3.092 . 0 0 "[ . 1 . 2]" 1
222 1 19 GLN HA 1 20 GLN H . . 3.670 3.663 3.629 3.700 0.030 19 0 "[ . 1 . 2]" 1
223 1 19 GLN HA 1 22 PHE H . . 3.640 3.403 3.276 3.689 0.049 13 0 "[ . 1 . 2]" 1
224 1 19 GLN HA 1 22 PHE HB2 . . 3.170 3.436 3.149 3.886 0.716 13 2 "[ . - + . 2]" 1
225 1 19 GLN HA 1 22 PHE HB3 . . 3.240 2.936 2.784 3.037 . 0 0 "[ . 1 . 2]" 1
226 1 19 GLN HA 1 23 VAL H . . 4.540 4.021 3.918 4.132 . 0 0 "[ . 1 . 2]" 1
227 1 19 GLN HA 1 23 VAL QG . . 6.530 3.850 3.696 4.122 . 0 0 "[ . 1 . 2]" 1
228 1 19 GLN HB2 1 20 GLN H . . 3.610 3.883 3.768 3.967 0.357 18 0 "[ . 1 . 2]" 1
229 1 19 GLN HE21 1 23 VAL QG . . 6.530 3.578 2.499 5.312 . 0 0 "[ . 1 . 2]" 1
230 1 20 GLN H 1 20 GLN HA . . 3.080 2.820 2.729 2.868 . 0 0 "[ . 1 . 2]" 1
231 1 20 GLN H 1 20 GLN QB . . 2.800 2.277 2.217 2.372 . 0 0 "[ . 1 . 2]" 1
232 1 20 GLN H 1 20 GLN HG2 . . 4.790 4.631 4.076 4.734 . 0 0 "[ . 1 . 2]" 1
233 1 20 GLN H 1 20 GLN HG3 . . 5.410 4.530 4.087 4.617 . 0 0 "[ . 1 . 2]" 1
234 1 20 GLN H 1 21 ASP H . . 3.360 2.804 2.594 3.095 . 0 0 "[ . 1 . 2]" 1
235 1 20 GLN HA 1 20 GLN QB . . 2.550 2.474 2.383 2.632 0.082 20 0 "[ . 1 . 2]" 1
236 1 20 GLN HA 1 20 GLN HE21 . . 5.220 4.161 2.405 5.107 . 0 0 "[ . 1 . 2]" 1
237 1 20 GLN HA 1 20 GLN HG2 . . 4.010 3.639 3.140 3.822 . 0 0 "[ . 1 . 2]" 1
238 1 20 GLN HA 1 20 GLN HG3 . . 3.700 2.764 2.482 3.091 . 0 0 "[ . 1 . 2]" 1
239 1 20 GLN HA 1 21 ASP H . . 3.760 3.655 3.635 3.686 . 0 0 "[ . 1 . 2]" 1
240 1 20 GLN HA 1 23 VAL H . . 3.670 3.284 3.130 3.522 . 0 0 "[ . 1 . 2]" 1
241 1 20 GLN HA 1 23 VAL HA . . 5.310 5.408 5.250 5.639 0.329 4 0 "[ . 1 . 2]" 1
242 1 20 GLN HA 1 23 VAL QG . . 4.570 3.245 3.126 3.401 . 0 0 "[ . 1 . 2]" 1
243 1 20 GLN HA 1 24 ASN H . . 3.480 3.645 3.087 3.880 0.400 12 0 "[ . 1 . 2]" 1
244 1 20 GLN QB 1 21 ASP H . . 3.170 2.538 2.460 2.621 . 0 0 "[ . 1 . 2]" 1
245 1 20 GLN HE21 1 23 VAL QG . . 6.530 4.765 3.044 5.716 . 0 0 "[ . 1 . 2]" 1
246 1 20 GLN HE22 1 23 VAL QG . . 6.530 4.822 2.954 6.851 0.321 18 0 "[ . 1 . 2]" 1
247 1 20 GLN HG2 1 24 ASN HD21 . . 5.100 4.377 2.730 5.343 0.243 19 0 "[ . 1 . 2]" 1
248 1 20 GLN HG2 1 24 ASN HD22 . . 4.760 4.178 2.559 5.531 0.771 17 6 "[ * *. 1** . + -]" 1
249 1 20 GLN HG3 1 24 ASN HD22 . . 5.500 3.759 2.520 5.099 . 0 0 "[ . 1 . 2]" 1
250 1 21 ASP H 1 21 ASP HA . . 3.050 2.818 2.758 2.854 . 0 0 "[ . 1 . 2]" 1
251 1 21 ASP H 1 21 ASP QB . . 3.020 2.346 2.287 2.585 . 0 0 "[ . 1 . 2]" 1
252 1 21 ASP H 1 22 PHE H . . 3.420 2.816 2.714 3.008 . 0 0 "[ . 1 . 2]" 1
253 1 21 ASP H 1 23 VAL H . . 4.910 4.264 4.121 4.503 . 0 0 "[ . 1 . 2]" 1
254 1 21 ASP HA 1 22 PHE H . . 3.700 3.668 3.662 3.677 . 0 0 "[ . 1 . 2]" 1
255 1 21 ASP HA 1 24 ASN H . . 3.640 3.757 3.486 4.166 0.526 19 1 "[ . 1 . +2]" 1
256 1 21 ASP HA 1 24 ASN HD21 . . 4.480 3.703 3.446 4.086 . 0 0 "[ . 1 . 2]" 1
257 1 21 ASP HA 1 24 ASN HD22 . . 5.040 3.406 2.535 4.793 . 0 0 "[ . 1 . 2]" 1
258 1 21 ASP HA 1 25 TRP H . . 5.040 3.867 3.758 3.957 . 0 0 "[ . 1 . 2]" 1
259 1 21 ASP QB 1 22 PHE H . . 3.580 2.615 2.583 2.688 . 0 0 "[ . 1 . 2]" 1
260 1 22 PHE H 1 22 PHE HA . . 3.140 2.851 2.830 2.873 . 0 0 "[ . 1 . 2]" 1
261 1 22 PHE H 1 22 PHE HB2 . . 3.140 2.473 2.400 2.579 . 0 0 "[ . 1 . 2]" 1
262 1 22 PHE H 1 22 PHE HB3 . . 2.900 2.769 2.631 2.895 . 0 0 "[ . 1 . 2]" 1
263 1 22 PHE H 1 23 VAL H . . 3.210 2.707 2.673 2.744 . 0 0 "[ . 1 . 2]" 1
264 1 22 PHE HA 1 22 PHE HB2 . . 2.900 2.580 2.512 2.645 . 0 0 "[ . 1 . 2]" 1
265 1 22 PHE HA 1 23 VAL H . . 3.830 3.649 3.631 3.670 . 0 0 "[ . 1 . 2]" 1
266 1 22 PHE HA 1 25 TRP H . . 3.520 3.427 3.228 3.589 0.069 16 0 "[ . 1 . 2]" 1
267 1 22 PHE HA 1 25 TRP QB . . 3.420 2.417 2.357 2.481 . 0 0 "[ . 1 . 2]" 1
268 1 22 PHE HA 1 25 TRP HD1 . . 5.410 6.062 5.944 6.186 0.776 1 20 [+******-************] 1
269 1 22 PHE HA 1 26 LEU H . . 3.920 4.062 3.961 4.167 0.247 14 0 "[ . 1 . 2]" 1
270 1 22 PHE HB2 1 23 VAL H . . 3.520 3.939 3.854 4.030 0.510 10 1 "[ . + . 2]" 1
271 1 22 PHE HB2 1 23 VAL QG . . 6.530 4.803 4.661 4.926 . 0 0 "[ . 1 . 2]" 1
272 1 22 PHE HB3 1 23 VAL H . . 3.360 2.812 2.709 2.873 . 0 0 "[ . 1 . 2]" 1
273 1 23 VAL H 1 23 VAL HA . . 3.140 2.884 2.876 2.896 . 0 0 "[ . 1 . 2]" 1
274 1 23 VAL H 1 23 VAL HB . . 3.050 2.466 2.448 2.481 . 0 0 "[ . 1 . 2]" 1
275 1 23 VAL H 1 23 VAL QG . . 4.110 2.405 2.369 2.434 . 0 0 "[ . 1 . 2]" 1
276 1 23 VAL HA 1 23 VAL HB . . 3.140 3.072 3.066 3.077 . 0 0 "[ . 1 . 2]" 1
277 1 23 VAL HA 1 24 ASN H . . 3.730 3.691 3.661 3.711 . 0 0 "[ . 1 . 2]" 1
278 1 23 VAL HA 1 25 TRP H . . 3.890 4.258 4.187 4.342 0.452 3 0 "[ . 1 . 2]" 1
279 1 23 VAL HA 1 26 LEU QB . . 4.270 2.829 2.694 2.909 . 0 0 "[ . 1 . 2]" 1
280 1 23 VAL HB 1 24 ASN H . . 3.110 2.512 2.424 2.585 . 0 0 "[ . 1 . 2]" 1
281 1 23 VAL QG 1 24 ASN H . . 5.350 2.995 2.909 3.085 . 0 0 "[ . 1 . 2]" 1
282 1 23 VAL QG 1 24 ASN HA . . 5.600 3.139 3.030 3.303 . 0 0 "[ . 1 . 2]" 1
283 1 23 VAL QG 1 26 LEU H . . 6.530 4.226 4.149 4.283 . 0 0 "[ . 1 . 2]" 1
284 1 23 VAL QG 1 27 LEU H . . 5.660 3.652 3.537 3.766 . 0 0 "[ . 1 . 2]" 1
285 1 24 ASN H 1 24 ASN QB . . 3.170 2.553 2.513 2.616 . 0 0 "[ . 1 . 2]" 1
286 1 24 ASN H 1 24 ASN HD21 . . 5.500 4.295 4.107 4.515 . 0 0 "[ . 1 . 2]" 1
287 1 24 ASN H 1 24 ASN HD22 . . 5.500 4.464 4.353 4.570 . 0 0 "[ . 1 . 2]" 1
288 1 24 ASN H 1 25 TRP H . . 3.520 2.868 2.792 3.029 . 0 0 "[ . 1 . 2]" 1
289 1 24 ASN HA 1 24 ASN QB . . 2.680 2.277 2.169 2.412 . 0 0 "[ . 1 . 2]" 1
290 1 24 ASN HA 1 24 ASN HD22 . . 5.500 5.135 4.682 5.482 . 0 0 "[ . 1 . 2]" 1
291 1 24 ASN HA 1 25 TRP H . . 3.860 3.623 3.583 3.680 . 0 0 "[ . 1 . 2]" 1
292 1 24 ASN HA 1 26 LEU H . . 5.500 4.523 4.360 4.712 . 0 0 "[ . 1 . 2]" 1
293 1 24 ASN HA 1 27 LEU H . . 3.670 3.183 3.026 3.379 . 0 0 "[ . 1 . 2]" 1
294 1 24 ASN HA 1 27 LEU QB . . 4.330 2.511 2.424 2.636 . 0 0 "[ . 1 . 2]" 1
295 1 24 ASN HA 1 27 LEU MD1 . . 4.950 2.536 2.371 2.601 . 0 0 "[ . 1 . 2]" 1
296 1 24 ASN HA 1 27 LEU MD2 . . 6.470 4.579 4.295 4.808 . 0 0 "[ . 1 . 2]" 1
297 1 24 ASN HA 1 27 LEU HG . . 3.450 3.120 2.648 3.492 0.042 19 0 "[ . 1 . 2]" 1
298 1 24 ASN HA 1 28 ALA H . . 4.260 3.772 3.492 4.036 . 0 0 "[ . 1 . 2]" 1
299 1 24 ASN QB 1 25 TRP H . . 3.610 3.270 2.650 3.795 0.185 6 0 "[ . 1 . 2]" 1
300 1 25 TRP H 1 25 TRP HA . . 3.140 2.869 2.850 2.885 . 0 0 "[ . 1 . 2]" 1
301 1 25 TRP H 1 25 TRP QB . . 3.020 2.296 2.265 2.365 . 0 0 "[ . 1 . 2]" 1
302 1 25 TRP H 1 25 TRP HD1 . . 5.500 5.104 5.047 5.158 . 0 0 "[ . 1 . 2]" 1
303 1 25 TRP H 1 25 TRP HE3 . . 5.160 4.594 4.517 4.706 . 0 0 "[ . 1 . 2]" 1
304 1 25 TRP H 1 26 LEU H . . 3.390 2.779 2.709 2.858 . 0 0 "[ . 1 . 2]" 1
305 1 25 TRP H 1 27 LEU H . . 4.450 4.139 4.048 4.300 . 0 0 "[ . 1 . 2]" 1
306 1 25 TRP HA 1 25 TRP QB . . 2.590 2.339 2.322 2.351 . 0 0 "[ . 1 . 2]" 1
307 1 25 TRP HA 1 25 TRP HD1 . . 3.360 2.835 2.751 2.906 . 0 0 "[ . 1 . 2]" 1
308 1 25 TRP HA 1 25 TRP HE3 . . 5.500 5.012 4.961 5.082 . 0 0 "[ . 1 . 2]" 1
309 1 25 TRP HA 1 26 LEU H . . 3.730 3.695 3.681 3.706 . 0 0 "[ . 1 . 2]" 1
310 1 25 TRP HA 1 28 ALA H . . 3.730 3.302 3.061 3.603 . 0 0 "[ . 1 . 2]" 1
311 1 25 TRP QB 1 25 TRP HD1 . . 3.520 2.805 2.778 2.834 . 0 0 "[ . 1 . 2]" 1
312 1 25 TRP QB 1 25 TRP HE3 . . 3.520 2.484 2.465 2.504 . 0 0 "[ . 1 . 2]" 1
313 1 25 TRP QB 1 26 LEU H . . 3.450 2.663 2.560 2.779 . 0 0 "[ . 1 . 2]" 1
314 1 25 TRP HD1 1 26 LEU HA . . 5.500 5.759 5.620 5.926 0.426 12 0 "[ . 1 . 2]" 1
315 1 25 TRP HD1 1 26 LEU QD . . 6.530 6.041 5.893 6.142 . 0 0 "[ . 1 . 2]" 1
316 1 25 TRP HD1 1 28 ALA MB . . 5.750 3.580 3.111 3.923 . 0 0 "[ . 1 . 2]" 1
317 1 25 TRP HD1 1 29 GLN QB . . 6.380 4.758 3.755 5.674 . 0 0 "[ . 1 . 2]" 1
318 1 25 TRP HD1 1 29 GLN QE . . 4.820 4.813 3.909 5.894 1.074 10 5 "[* . - + * . *]" 1
319 1 25 TRP HE1 1 29 GLN QE . . 5.310 3.044 2.426 4.254 . 0 0 "[ . 1 . 2]" 1
320 1 25 TRP HE3 1 26 LEU H . . 4.230 3.146 3.009 3.317 . 0 0 "[ . 1 . 2]" 1
321 1 25 TRP HE3 1 26 LEU HA . . 3.890 3.784 3.631 4.010 0.120 5 0 "[ . 1 . 2]" 1
322 1 25 TRP HE3 1 26 LEU QB . . 5.660 4.406 4.328 4.495 . 0 0 "[ . 1 . 2]" 1
323 1 25 TRP HE3 1 26 LEU QD . . 3.710 2.863 2.705 3.022 . 0 0 "[ . 1 . 2]" 1
324 1 25 TRP HE3 1 26 LEU HG . . 3.300 2.575 2.453 2.827 . 0 0 "[ . 1 . 2]" 1
325 1 25 TRP HE3 1 28 ALA MB . . 6.530 6.335 6.131 6.618 0.088 16 0 "[ . 1 . 2]" 1
326 1 25 TRP HE3 1 29 GLN QB . . 6.380 5.222 4.431 5.747 . 0 0 "[ . 1 . 2]" 1
327 1 25 TRP HE3 1 29 GLN QE . . 5.500 6.233 5.375 7.299 1.799 13 14 "[** .-* ****+*.*** *]" 1
328 1 25 TRP HH2 1 29 GLN QE . . 5.500 4.400 3.474 5.427 . 0 0 "[ . 1 . 2]" 1
329 1 25 TRP HZ2 1 29 GLN QE . . 5.500 2.758 2.325 4.035 . 0 0 "[ . 1 . 2]" 1
330 1 25 TRP HZ3 1 26 LEU HA . . 4.910 4.603 4.446 4.811 . 0 0 "[ . 1 . 2]" 1
331 1 25 TRP HZ3 1 26 LEU QD . . 4.920 2.385 2.353 2.455 . 0 0 "[ . 1 . 2]" 1
332 1 25 TRP HZ3 1 26 LEU HG . . 5.130 3.656 3.370 4.010 . 0 0 "[ . 1 . 2]" 1
333 1 26 LEU H 1 26 LEU HA . . 2.960 2.853 2.818 2.886 . 0 0 "[ . 1 . 2]" 1
334 1 26 LEU H 1 26 LEU QD . . 5.190 3.267 3.232 3.305 . 0 0 "[ . 1 . 2]" 1
335 1 26 LEU H 1 26 LEU HG . . 3.170 2.479 2.416 2.545 . 0 0 "[ . 1 . 2]" 1
336 1 26 LEU H 1 28 ALA H . . 4.820 4.217 4.125 4.318 . 0 0 "[ . 1 . 2]" 1
337 1 26 LEU HA 1 26 LEU QD . . 3.770 2.238 2.219 2.250 . 0 0 "[ . 1 . 2]" 1
338 1 26 LEU HA 1 26 LEU HG . . 2.650 3.077 3.012 3.145 0.495 13 0 "[ . 1 . 2]" 1
339 1 26 LEU HA 1 27 LEU H . . 3.640 3.660 3.638 3.682 0.042 18 0 "[ . 1 . 2]" 1
340 1 26 LEU HA 1 29 GLN H . . 3.550 3.191 3.000 3.682 0.132 16 0 "[ . 1 . 2]" 1
341 1 26 LEU HA 1 29 GLN HA . . 4.660 5.291 5.000 5.658 0.998 17 16 "[** **** *1 *-***+***]" 1
342 1 26 LEU HA 1 29 GLN QB . . 4.180 2.722 2.412 3.128 . 0 0 "[ . 1 . 2]" 1
343 1 26 LEU HA 1 29 GLN QE . . 5.500 5.391 4.235 6.424 0.924 10 1 "[ . + . 2]" 1
344 1 26 LEU HA 1 29 GLN QG . . 5.140 4.079 2.597 5.006 . 0 0 "[ . 1 . 2]" 1
345 1 26 LEU HA 1 30 LYS H . . 5.500 5.421 4.971 6.219 0.719 9 3 "[ . +1 - .* 2]" 1
346 1 26 LEU QB 1 27 LEU H . . 4.800 2.564 2.458 2.670 . 0 0 "[ . 1 . 2]" 1
347 1 26 LEU QD 1 27 LEU H . . 6.530 4.168 4.093 4.242 . 0 0 "[ . 1 . 2]" 1
348 1 26 LEU HG 1 27 LEU H . . 4.380 4.554 4.475 4.650 0.270 16 0 "[ . 1 . 2]" 1
349 1 27 LEU H 1 27 LEU HA . . 3.050 2.857 2.829 2.901 . 0 0 "[ . 1 . 2]" 1
350 1 27 LEU H 1 27 LEU MD1 . . 5.230 3.752 3.667 3.855 . 0 0 "[ . 1 . 2]" 1
351 1 27 LEU H 1 27 LEU MD2 . . 4.850 3.387 3.091 3.634 . 0 0 "[ . 1 . 2]" 1
352 1 27 LEU H 1 27 LEU HG . . 3.450 2.363 2.334 2.424 . 0 0 "[ . 1 . 2]" 1
353 1 27 LEU H 1 28 ALA H . . 3.420 2.757 2.640 2.848 . 0 0 "[ . 1 . 2]" 1
354 1 27 LEU HA 1 27 LEU MD1 . . 4.570 3.947 3.900 3.972 . 0 0 "[ . 1 . 2]" 1
355 1 27 LEU HA 1 27 LEU MD2 . . 3.710 2.233 2.211 2.249 . 0 0 "[ . 1 . 2]" 1
356 1 27 LEU HA 1 27 LEU HG . . 2.860 3.207 3.062 3.339 0.479 10 0 "[ . 1 . 2]" 1
357 1 27 LEU HA 1 28 ALA H . . 3.640 3.648 3.628 3.662 0.022 20 0 "[ . 1 . 2]" 1
358 1 27 LEU HA 1 30 LYS H . . 3.830 4.047 3.441 4.996 1.166 13 5 "[ * *1 +-.* 2]" 1
359 1 27 LEU QB 1 28 ALA H . . 4.640 2.625 2.506 2.810 . 0 0 "[ . 1 . 2]" 1
360 1 27 LEU MD1 1 28 ALA H . . 6.340 4.616 4.504 4.813 . 0 0 "[ . 1 . 2]" 1
361 1 27 LEU MD2 1 28 ALA H . . 6.090 4.853 4.751 4.930 . 0 0 "[ . 1 . 2]" 1
362 1 28 ALA H 1 28 ALA HA . . 2.900 2.849 2.813 2.962 0.062 16 0 "[ . 1 . 2]" 1
363 1 28 ALA H 1 29 GLN H . . 3.270 2.761 2.650 3.085 . 0 0 "[ . 1 . 2]" 1
364 1 28 ALA HA 1 29 GLN H . . 3.580 3.617 3.144 3.682 0.102 5 0 "[ . 1 . 2]" 1
365 1 28 ALA HA 1 31 GLY H . . 4.140 4.231 3.607 4.664 0.524 19 2 "[ . 1 - +2]" 1
366 1 28 ALA HA 1 32 LYS H . . 4.760 3.935 3.102 4.461 . 0 0 "[ . 1 . 2]" 1
367 1 28 ALA MB 1 29 GLN H . . 4.540 2.785 2.438 3.763 . 0 0 "[ . 1 . 2]" 1
368 1 28 ALA MB 1 29 GLN QE . . 5.780 5.169 4.296 5.949 0.169 15 0 "[ . 1 . 2]" 1
369 1 29 GLN H 1 29 GLN HA . . 3.140 2.966 2.891 3.003 . 0 0 "[ . 1 . 2]" 1
370 1 29 GLN H 1 29 GLN QE . . 5.500 4.998 4.315 5.861 0.361 10 0 "[ . 1 . 2]" 1
371 1 29 GLN H 1 30 LYS H . . 3.210 3.133 2.607 3.679 0.469 13 0 "[ . 1 . 2]" 1
372 1 29 GLN H 1 32 LYS H . . 4.910 5.443 4.818 5.980 1.070 13 10 "[ *** -1**+*. * *]" 1
373 1 29 GLN H 1 33 LYS QG . . 5.760 5.870 4.674 6.421 0.661 15 4 "[ * . - 1 + *2]" 1
374 1 29 GLN HA 1 29 GLN QE . . 5.500 4.026 2.518 4.768 . 0 0 "[ . 1 . 2]" 1
375 1 29 GLN HA 1 30 LYS H . . 3.080 2.930 2.507 3.550 0.470 11 0 "[ . 1 . 2]" 1
376 1 29 GLN HA 1 33 LYS H . . 5.130 3.973 2.891 5.754 0.624 11 1 "[ . 1+ . 2]" 1
377 1 29 GLN QB 1 30 LYS HA . . 4.450 4.712 4.266 5.015 0.565 5 3 "[ *+ 1 -. 2]" 1
378 1 29 GLN QE 1 33 LYS QG . . 6.040 4.220 2.900 5.200 . 0 0 "[ . 1 . 2]" 1
379 1 30 LYS H 1 31 GLY H . . 3.240 2.396 2.294 2.480 . 0 0 "[ . 1 . 2]" 1
380 1 30 LYS H 1 32 LYS H . . 3.860 2.907 2.442 3.773 . 0 0 "[ . 1 . 2]" 1
381 1 30 LYS HA 1 31 GLY H . . 3.610 3.711 3.656 3.754 0.144 10 0 "[ . 1 . 2]" 1
382 1 30 LYS HA 1 32 LYS H . . 5.500 4.395 3.798 5.537 0.037 13 0 "[ . 1 . 2]" 1
383 1 30 LYS HA 1 32 LYS QD . . 5.140 5.854 5.396 6.769 1.629 11 15 "[** *.* -**+** *** **]" 1
384 1 30 LYS HA 1 33 LYS H . . 3.170 3.574 3.117 4.111 0.941 6 5 "[ .+ **- . *]" 1
385 1 31 GLY H 1 31 GLY QA . . 2.740 2.219 2.194 2.246 . 0 0 "[ . 1 . 2]" 1
386 1 31 GLY H 1 32 LYS H . . 3.270 2.983 2.704 3.377 0.107 11 0 "[ . 1 . 2]" 1
387 1 31 GLY QA 1 32 LYS H . . 3.020 2.815 2.449 3.034 0.014 8 0 "[ . 1 . 2]" 1
388 1 31 GLY QA 1 33 LYS H . . 4.010 4.394 3.828 5.026 1.016 8 8 "[ * .* +** * -*]" 1
389 1 32 LYS H 1 32 LYS HA . . 2.960 2.959 2.865 3.009 0.049 14 0 "[ . 1 . 2]" 1
390 1 32 LYS H 1 32 LYS HB3 . . 3.110 3.296 2.430 3.845 0.735 8 7 "[ .* +** * *-]" 1
391 1 32 LYS H 1 32 LYS QD . . 5.630 2.886 2.254 4.743 . 0 0 "[ . 1 . 2]" 1
392 1 32 LYS H 1 33 LYS H . . 3.170 2.521 2.264 2.773 . 0 0 "[ . 1 . 2]" 1
393 1 32 LYS H 1 37 LYS QD . . 6.380 6.918 4.946 8.907 2.527 7 10 "[ .*+*** ** . *-*]" 1
394 1 32 LYS HA 1 35 ASP H . . 3.640 3.432 2.750 3.888 0.248 18 0 "[ . 1 . 2]" 1
395 1 32 LYS HA 1 35 ASP QB . . 2.960 2.921 2.297 3.907 0.947 1 4 "[+* . 1 .*- 2]" 1
396 1 33 LYS H 1 33 LYS HA . . 2.770 2.884 2.745 2.980 0.210 5 0 "[ . 1 . 2]" 1
397 1 33 LYS H 1 33 LYS QB . . 2.650 2.262 2.190 2.326 . 0 0 "[ . 1 . 2]" 1
398 1 33 LYS H 1 34 ASN H . . 2.960 2.707 2.450 2.990 0.030 9 0 "[ . 1 . 2]" 1
399 1 33 LYS HA 1 33 LYS QB . . 2.430 2.421 2.357 2.500 0.070 18 0 "[ . 1 . 2]" 1
400 1 33 LYS HA 1 34 ASN H . . 3.520 3.679 3.606 3.709 0.189 11 0 "[ . 1 . 2]" 1
401 1 33 LYS HA 1 36 TRP QB . . 4.800 4.410 3.311 5.835 1.035 10 8 "[ .****+ -* . *]" 1
402 1 33 LYS HA 1 36 TRP HD1 . . 5.500 4.647 2.681 6.047 0.547 19 2 "[ . 1 - +2]" 1
403 1 33 LYS HA 1 37 LYS QD . . 4.800 5.371 4.593 6.093 1.293 12 10 "[ * . *-** + * * **]" 1
404 1 33 LYS QB 1 34 ASN H . . 2.740 2.511 2.344 2.831 0.091 7 0 "[ . 1 . 2]" 1
405 1 33 LYS QD 1 34 ASN H . . 6.220 3.797 3.115 5.138 . 0 0 "[ . 1 . 2]" 1
406 1 34 ASN H 1 34 ASN HA . . 2.930 2.842 2.742 2.958 0.028 7 0 "[ . 1 . 2]" 1
407 1 34 ASN H 1 34 ASN QB . . 2.590 2.467 2.302 2.604 0.014 3 0 "[ . 1 . 2]" 1
408 1 34 ASN H 1 34 ASN HD21 . . 5.500 4.202 2.428 4.868 . 0 0 "[ . 1 . 2]" 1
409 1 34 ASN HA 1 35 ASP H . . 3.420 3.628 3.555 3.651 0.231 4 0 "[ . 1 . 2]" 1
410 1 34 ASN HA 1 36 TRP HD1 . . 5.500 4.201 3.298 5.922 0.422 9 0 "[ . 1 . 2]" 1
411 1 34 ASN HA 1 36 TRP HE1 . . 5.500 5.686 4.773 6.393 0.893 19 9 "[ .* -** ** * * +2]" 1
412 1 34 ASN QB 1 35 ASP H . . 2.830 2.944 2.742 3.465 0.635 7 1 "[ . + 1 . 2]" 1
413 1 35 ASP H 1 35 ASP HA . . 2.800 2.866 2.689 2.967 0.167 4 0 "[ . 1 . 2]" 1
414 1 35 ASP H 1 35 ASP QB . . 3.080 2.348 2.254 2.533 . 0 0 "[ . 1 . 2]" 1
415 1 35 ASP H 1 36 TRP H . . 3.240 2.743 2.445 3.185 . 0 0 "[ . 1 . 2]" 1
416 1 35 ASP HA 1 37 LYS H . . 4.820 4.812 4.416 5.587 0.767 17 4 "[ . *1 - + *2]" 1
417 1 35 ASP QB 1 36 TRP H . . 3.420 2.637 2.344 3.044 . 0 0 "[ . 1 . 2]" 1
418 1 36 TRP H 1 36 TRP HA . . 3.050 2.552 2.280 2.999 . 0 0 "[ . 1 . 2]" 1
419 1 36 TRP H 1 36 TRP HD1 . . 4.170 3.323 2.297 4.359 0.189 9 0 "[ . 1 . 2]" 1
420 1 36 TRP H 1 37 LYS H . . 3.170 2.789 2.347 3.188 0.018 17 0 "[ . 1 . 2]" 1
421 1 36 TRP QB 1 37 LYS H . . 4.700 3.963 3.472 4.171 . 0 0 "[ . 1 . 2]" 1
422 1 36 TRP HD1 1 37 LYS H . . 5.500 4.385 2.336 5.959 0.459 17 0 "[ . 1 . 2]" 1
423 1 36 TRP HD1 1 37 LYS QG . . 6.380 6.615 5.374 7.785 1.405 16 7 "[** * 1 *.+ *-2]" 1
424 1 36 TRP HE1 1 39 ASN HA . . 4.850 5.456 4.719 6.237 1.387 13 13 "[*-* **** 1* +*.* * *]" 1
425 1 36 TRP HE3 1 37 LYS H . . 5.500 5.693 4.586 6.384 0.884 13 5 "[ .*** 1 + . -]" 1
426 1 37 LYS H 1 37 LYS HA . . 3.080 2.320 2.268 2.358 . 0 0 "[ . 1 . 2]" 1
427 1 37 LYS H 1 37 LYS QD . . 5.600 3.224 2.350 4.275 . 0 0 "[ . 1 . 2]" 1
428 1 37 LYS H 1 37 LYS QG . . 5.140 3.550 2.351 4.544 . 0 0 "[ . 1 . 2]" 1
429 1 37 LYS H 1 38 HIS H . . 3.330 3.172 2.816 3.561 0.231 12 0 "[ . 1 . 2]" 1
430 1 37 LYS HA 1 37 LYS QD . . 4.950 2.980 2.204 4.379 . 0 0 "[ . 1 . 2]" 1
431 1 37 LYS HA 1 38 HIS H . . 2.930 2.645 2.340 2.913 . 0 0 "[ . 1 . 2]" 1
432 1 37 LYS HA 1 40 ILE HB . . 4.140 4.256 3.499 4.936 0.796 10 3 "[ . + - * 2]" 1
433 1 37 LYS QB 1 38 HIS H . . 5.140 4.046 3.950 4.158 . 0 0 "[ . 1 . 2]" 1
434 1 37 LYS QD 1 38 HIS H . . 6.380 4.795 3.790 6.222 . 0 0 "[ . 1 . 2]" 1
435 1 38 HIS H 1 38 HIS HA . . 3.140 2.852 2.302 3.002 . 0 0 "[ . 1 . 2]" 1
436 1 38 HIS H 1 38 HIS HB2 . . 3.020 3.191 2.580 3.604 0.584 3 1 "[ + . 1 . 2]" 1
437 1 38 HIS H 1 38 HIS HB3 . . 3.270 3.046 2.662 3.550 0.280 15 0 "[ . 1 . 2]" 1
438 1 38 HIS H 1 38 HIS HD2 . . 5.500 5.196 4.764 5.850 0.350 3 0 "[ . 1 . 2]" 1
439 1 38 HIS H 1 39 ASN H . . 3.240 2.670 2.297 4.678 1.438 19 3 "[ . 1 - * +2]" 1
440 1 38 HIS HA 1 38 HIS HD2 . . 5.220 3.415 2.455 4.347 . 0 0 "[ . 1 . 2]" 1
441 1 38 HIS HB2 1 39 ASN H . . 3.670 3.812 3.687 3.914 0.244 5 0 "[ . 1 . 2]" 1
442 1 38 HIS HB3 1 39 ASN H . . 2.740 2.436 2.335 2.561 . 0 0 "[ . 1 . 2]" 1
443 1 39 ASN H 1 39 ASN HB2 . . 3.420 2.613 2.409 3.630 0.210 14 0 "[ . 1 . 2]" 1
444 1 39 ASN H 1 39 ASN HB3 . . 3.170 2.813 2.404 3.674 0.504 11 2 "[ . 1+ - . 2]" 1
445 1 39 ASN H 1 40 ILE H . . 3.360 2.847 2.209 3.073 . 0 0 "[ . 1 . 2]" 1
446 1 39 ASN HA 1 40 ILE H . . 3.520 3.587 2.777 3.699 0.179 15 0 "[ . 1 . 2]" 1
447 1 39 ASN HB2 1 40 ILE H . . 3.980 3.914 2.446 4.726 0.746 17 1 "[ . 1 . + 2]" 1
448 1 39 ASN HB3 1 40 ILE H . . 3.450 3.087 2.618 4.418 0.968 17 2 "[ . 1 -. + 2]" 1
449 1 40 ILE H 1 40 ILE HA . . 2.830 2.701 2.334 3.013 0.183 17 0 "[ . 1 . 2]" 1
450 1 40 ILE H 1 40 ILE HB . . 3.140 2.479 2.281 2.784 . 0 0 "[ . 1 . 2]" 1
451 1 40 ILE H 1 40 ILE QG . . 4.070 3.515 2.246 4.457 0.387 13 0 "[ . 1 . 2]" 1
452 1 40 ILE HA 1 40 ILE HB . . 3.050 2.688 2.415 3.066 0.016 10 0 "[ . 1 . 2]" 1
453 1 40 ILE HA 1 41 THR H . . 2.960 2.363 2.307 2.547 . 0 0 "[ . 1 . 2]" 1
454 1 41 THR H 1 41 THR HB . . 3.860 3.220 2.558 4.030 0.170 13 0 "[ . 1 . 2]" 1
455 1 41 THR HA 1 41 THR HB . . 2.740 2.481 2.411 2.555 . 0 0 "[ . 1 . 2]" 1
456 1 41 THR HB 1 42 GLN H . . 4.290 3.818 2.719 4.466 0.176 17 0 "[ . 1 . 2]" 1
457 1 42 GLN H 1 42 GLN HA . . 2.960 2.853 2.291 3.012 0.052 16 0 "[ . 1 . 2]" 1
458 1 42 GLN H 1 42 GLN HB2 . . 3.950 2.962 2.511 3.821 . 0 0 "[ . 1 . 2]" 1
459 1 42 GLN H 1 42 GLN HB3 . . 3.550 3.047 2.521 3.866 0.316 20 0 "[ . 1 . 2]" 1
460 1 42 GLN HA 1 42 GLN HB2 . . 2.900 2.610 2.373 3.082 0.182 20 0 "[ . 1 . 2]" 1
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