data_19414
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19414
_Entry.PDB_ID 2MBT
save_
save_delta_chem_shifts
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts
_Entity_delta_chem_shifts.Model_type single
_Entity_delta_chem_shifts.Entry_ID 19414
_Entity_delta_chem_shifts.ID 1
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Conformer_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 1 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.711 -1.583 19414
2 1 1 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.715 -0.899 19414
3 1 1 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.267 -0.316 19414
4 1 1 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.551 0.541 19414
5 1 2 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.713 -1.585 19414
6 1 2 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.766 -0.950 19414
7 1 2 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.142 -0.191 19414
8 1 2 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.505 0.587 19414
9 1 3 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.712 -1.584 19414
10 1 3 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.740 -0.924 19414
11 1 3 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.152 -0.201 19414
12 1 3 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.502 0.590 19414
13 1 4 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.709 -1.581 19414
14 1 4 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.654 -0.838 19414
15 1 4 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.448 -0.497 19414
16 1 4 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.582 0.510 19414
17 1 5 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.712 -1.585 19414
18 1 5 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.738 -0.922 19414
19 1 5 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.155 -0.204 19414
20 1 5 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.509 0.583 19414
21 1 6 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.709 -1.581 19414
22 1 6 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.695 -0.879 19414
23 1 6 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.266 -0.315 19414
24 1 6 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.555 0.537 19414
25 1 7 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.713 -1.585 19414
26 1 7 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.769 -0.953 19414
27 1 7 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.163 -0.212 19414
28 1 7 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.537 0.555 19414
29 1 8 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.712 -1.584 19414
30 1 8 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.702 -0.886 19414
31 1 8 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.164 -0.213 19414
32 1 8 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.507 0.585 19414
33 1 9 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.710 -1.582 19414
34 1 9 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.686 -0.870 19414
35 1 9 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.266 -0.315 19414
36 1 9 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.587 0.504 19414
37 1 10 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.711 -1.583 19414
38 1 10 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.735 -0.919 19414
39 1 10 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.160 -0.209 19414
40 1 10 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.523 0.569 19414
stop_
loop_
_SPARTA_output.Data_ID
_SPARTA_output.Entity_delta_chem_shifts_ID
_SPARTA_output.Conformer_ID
_SPARTA_output.Data_type
_SPARTA_output.Data_atom
_SPARTA_output.Data_num_shifts
_SPARTA_output.Data_value
_SPARTA_output.Data_low_range
_SPARTA_output.Data_high_range
_SPARTA_output.Entry_ID
1 1 1 "Average Difference" N 0 0.000 0.000 0.000 19414
2 1 1 "Average Difference" HA 0 0.000 0.000 0.000 19414
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19414
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19414
5 1 1 "Average Difference" CB 4 0.962 0.564 0.900 19414
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19414
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19414
8 1 2 "Average Difference" HA 0 0.000 0.000 0.000 19414
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19414
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19414
11 1 2 "Average Difference" CB 4 0.974 0.535 0.940 19414
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19414
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19414
14 1 3 "Average Difference" HA 0 0.000 0.000 0.000 19414
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19414
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19414
17 1 3 "Average Difference" CB 4 0.968 0.530 0.936 19414
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19414
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19414
20 1 4 "Average Difference" HA 0 0.000 0.000 0.000 19414
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19414
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19414
23 1 4 "Average Difference" CB 4 0.963 0.602 0.868 19414
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19414
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19414
26 1 5 "Average Difference" HA 0 0.000 0.000 0.000 19414
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19414
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19414
29 1 5 "Average Difference" CB 4 0.967 0.532 0.933 19414
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19414
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19414
32 1 6 "Average Difference" HA 0 0.000 0.000 0.000 19414
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19414
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19414
35 1 6 "Average Difference" CB 4 0.957 0.559 0.896 19414
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19414
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19414
38 1 7 "Average Difference" HA 0 0.000 0.000 0.000 19414
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19414
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19414
41 1 7 "Average Difference" CB 4 0.971 0.549 0.925 19414
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19414
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19414
44 1 8 "Average Difference" HA 0 0.000 0.000 0.000 19414
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19414
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19414
47 1 8 "Average Difference" CB 4 0.960 0.525 0.928 19414
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19414
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19414
50 1 9 "Average Difference" HA 0 0.000 0.000 0.000 19414
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19414
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19414
53 1 9 "Average Difference" CB 4 0.950 0.566 0.882 19414
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19414
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19414
56 1 10 "Average Difference" HA 0 0.000 0.000 0.000 19414
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19414
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19414
59 1 10 "Average Difference" CB 4 0.964 0.535 0.926 19414
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19414
stop_
save_
save_delta_chem_shifts_average
_Entity_delta_chem_shifts.Sf_category delta_chem_shifts
_Entity_delta_chem_shifts.Sf_framecode delta_chem_shifts_average
_Entity_delta_chem_shifts.Model_type average
_Entity_delta_chem_shifts.Entry_ID 19414
_Entity_delta_chem_shifts.ID 2
_Entity_delta_chem_shifts.Details
;
This saveframe contains the averaged SPARTA chemical shift over all the models used.
;
loop_
_Delta_CS.Atom_chem_shift_ID
_Delta_CS.Entity_delta_chem_shifts_ID
_Delta_CS.Assembly_atom_ID
_Delta_CS.Entity_assembly_ID
_Delta_CS.Entity_ID
_Delta_CS.Comp_index_ID
_Delta_CS.Seq_ID
_Delta_CS.Comp_ID
_Delta_CS.Atom_ID
_Delta_CS.Atom_type
_Delta_CS.Auth_seq_ID
_Delta_CS.Original_CS_value
_Delta_CS.Corrected_CS_value
_Delta_CS.Sparta_CS_value
_Delta_CS.Delta_CS_value
_Delta_CS.Entry_ID
1 1 . 1 1 8 8 ALA CB C 8 17.128 17.128 18.711 -1.583 19414
2 1 . 1 1 65 65 ALA CB C 65 18.816 18.816 19.720 -0.904 19414
3 1 . 1 1 147 147 ALA CB C 147 17.951 17.951 18.218 -0.267 19414
4 1 . 1 1 169 169 ALA CB C 169 20.092 20.092 19.536 0.556 19414
stop_
save_