data_25814
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25814
_Entry.PDB_ID 2N7O
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 25814
_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 6 6 PRO HA H 6 3.816 3.816 4.677 -0.861 25814
2 1 1 . 1 1 10 10 TRP HA H 10 5.266 5.266 4.875 0.391 25814
3 1 1 . 1 1 10 10 TRP H H 10 9.149 9.149 8.542 0.607 25814
4 1 2 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.715 -0.899 25814
5 1 2 . 1 1 10 10 TRP HA H 10 5.266 5.266 4.760 0.506 25814
6 1 2 . 1 1 10 10 TRP H H 10 9.149 9.149 8.363 0.786 25814
7 1 3 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.564 -0.748 25814
8 1 3 . 1 1 10 10 TRP HA H 10 5.266 5.266 4.996 0.270 25814
9 1 3 . 1 1 10 10 TRP H H 10 9.149 9.149 8.606 0.543 25814
10 1 4 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.695 -0.879 25814
11 1 4 . 1 1 10 10 TRP HA H 10 5.266 5.266 4.983 0.283 25814
12 1 4 . 1 1 10 10 TRP H H 10 9.149 9.149 8.598 0.551 25814
13 1 5 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.489 -0.673 25814
14 1 5 . 1 1 10 10 TRP HA H 10 5.266 5.266 5.003 0.263 25814
15 1 5 . 1 1 10 10 TRP H H 10 9.149 9.149 8.595 0.554 25814
16 1 6 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.520 -0.704 25814
17 1 6 . 1 1 10 10 TRP HA H 10 5.266 5.266 4.844 0.422 25814
18 1 6 . 1 1 10 10 TRP H H 10 9.149 9.149 8.489 0.660 25814
19 1 7 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.812 -0.996 25814
20 1 7 . 1 1 10 10 TRP HA H 10 5.266 5.266 5.007 0.259 25814
21 1 7 . 1 1 10 10 TRP H H 10 9.149 9.149 8.625 0.524 25814
22 1 8 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.760 -0.944 25814
23 1 8 . 1 1 10 10 TRP HA H 10 5.266 5.266 5.029 0.237 25814
24 1 8 . 1 1 10 10 TRP H H 10 9.149 9.149 8.568 0.581 25814
25 1 9 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.580 -0.764 25814
26 1 9 . 1 1 10 10 TRP HA H 10 5.266 5.266 4.866 0.400 25814
27 1 9 . 1 1 10 10 TRP H H 10 9.149 9.149 8.368 0.781 25814
28 1 10 . 1 1 6 6 PRO HA H 6 3.816 3.816 4.685 -0.869 25814
29 1 10 . 1 1 10 10 TRP HA H 10 5.266 5.266 4.970 0.296 25814
30 1 10 . 1 1 10 10 TRP H H 10 9.149 9.149 8.569 0.580 25814
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 25814
2 1 1 "Average Difference" HA 2 0.669 0.235 0.885 25814
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25814
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25814
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25814
6 1 1 "Average Difference" HN 1 0.607 -0.607 0.000 25814
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25814
8 1 2 "Average Difference" HA 2 0.730 0.197 0.993 25814
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25814
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25814
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25814
12 1 2 "Average Difference" HN 1 0.786 -0.786 0.000 25814
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25814
14 1 3 "Average Difference" HA 2 0.562 0.239 0.720 25814
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25814
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25814
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25814
18 1 3 "Average Difference" HN 1 0.543 -0.543 0.000 25814
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25814
20 1 4 "Average Difference" HA 2 0.653 0.298 0.821 25814
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25814
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25814
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25814
24 1 4 "Average Difference" HN 1 0.551 -0.551 0.000 25814
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25814
26 1 5 "Average Difference" HA 2 0.511 0.205 0.662 25814
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25814
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25814
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25814
30 1 5 "Average Difference" HN 1 0.554 -0.554 0.000 25814
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25814
32 1 6 "Average Difference" HA 2 0.580 0.141 0.796 25814
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25814
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25814
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25814
36 1 6 "Average Difference" HN 1 0.660 -0.660 0.000 25814
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25814
38 1 7 "Average Difference" HA 2 0.728 0.369 0.887 25814
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25814
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25814
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25814
42 1 7 "Average Difference" HN 1 0.524 -0.524 0.000 25814
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25814
44 1 8 "Average Difference" HA 2 0.688 0.353 0.835 25814
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25814
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25814
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25814
48 1 8 "Average Difference" HN 1 0.581 -0.581 0.000 25814
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25814
50 1 9 "Average Difference" HA 2 0.610 0.182 0.823 25814
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25814
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25814
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25814
54 1 9 "Average Difference" HN 1 0.781 -0.781 0.000 25814
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25814
56 1 10 "Average Difference" HA 2 0.649 0.286 0.823 25814
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25814
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25814
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25814
60 1 10 "Average Difference" HN 1 0.580 -0.580 0.000 25814
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 25814
_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 6 6 PRO HA H 6 3.816 3.816 4.650 -0.834 25814
2 1 . 1 1 10 10 TRP HA H 10 5.266 5.266 4.933 0.333 25814
3 1 . 1 1 10 10 TRP H H 10 9.149 9.149 8.532 0.617 25814
stop_
save_