data_25820
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25820
_Entry.PDB_ID 2N7T
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 25820
_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 TRP HA H 6 3.959 3.959 4.769 -0.810 25820
2 1 1 . 1 1 6 6 TRP H H 6 7.928 7.928 8.508 -0.580 25820
3 1 1 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.866 0.305 25820
4 1 1 . 1 1 10 10 TRP H H 10 9.085 9.085 8.590 0.495 25820
5 1 2 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.609 -0.650 25820
6 1 2 . 1 1 6 6 TRP H H 6 7.928 7.928 8.457 -0.529 25820
7 1 2 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.814 0.356 25820
8 1 2 . 1 1 10 10 TRP H H 10 9.085 9.085 8.507 0.578 25820
9 1 3 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.684 -0.725 25820
10 1 3 . 1 1 6 6 TRP H H 6 7.928 7.928 8.426 -0.498 25820
11 1 3 . 1 1 10 10 TRP HA H 10 5.171 5.171 5.069 0.102 25820
12 1 3 . 1 1 10 10 TRP H H 10 9.085 9.085 8.574 0.511 25820
13 1 4 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.680 -0.721 25820
14 1 4 . 1 1 6 6 TRP H H 6 7.928 7.928 8.408 -0.480 25820
15 1 4 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.875 0.296 25820
16 1 4 . 1 1 10 10 TRP H H 10 9.085 9.085 8.464 0.621 25820
17 1 5 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.664 -0.705 25820
18 1 5 . 1 1 6 6 TRP H H 6 7.928 7.928 8.425 -0.497 25820
19 1 5 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.931 0.240 25820
20 1 5 . 1 1 10 10 TRP H H 10 9.085 9.085 8.667 0.418 25820
21 1 6 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.764 -0.805 25820
22 1 6 . 1 1 6 6 TRP H H 6 7.928 7.928 8.417 -0.489 25820
23 1 6 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.927 0.244 25820
24 1 6 . 1 1 10 10 TRP H H 10 9.085 9.085 8.587 0.498 25820
25 1 7 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.602 -0.643 25820
26 1 7 . 1 1 6 6 TRP H H 6 7.928 7.928 8.462 -0.534 25820
27 1 7 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.787 0.384 25820
28 1 7 . 1 1 10 10 TRP H H 10 9.085 9.085 8.430 0.655 25820
29 1 8 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.666 -0.707 25820
30 1 8 . 1 1 6 6 TRP H H 6 7.928 7.928 8.422 -0.494 25820
31 1 8 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.935 0.236 25820
32 1 8 . 1 1 10 10 TRP H H 10 9.085 9.085 8.666 0.419 25820
33 1 9 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.673 -0.714 25820
34 1 9 . 1 1 6 6 TRP H H 6 7.928 7.928 8.375 -0.447 25820
35 1 9 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.929 0.242 25820
36 1 9 . 1 1 10 10 TRP H H 10 9.085 9.085 8.541 0.544 25820
37 1 10 . 1 1 6 6 TRP HA H 6 3.959 3.959 4.677 -0.718 25820
38 1 10 . 1 1 6 6 TRP H H 6 7.928 7.928 8.406 -0.478 25820
39 1 10 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.950 0.221 25820
40 1 10 . 1 1 10 10 TRP H H 10 9.085 9.085 8.492 0.593 25820
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 25820
2 1 1 "Average Difference" HA 2 0.612 0.253 0.789 25820
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25820
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25820
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25820
6 1 1 "Average Difference" HN 2 0.539 0.042 0.760 25820
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25820
8 1 2 "Average Difference" HA 2 0.524 0.147 0.712 25820
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25820
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25820
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25820
12 1 2 "Average Difference" HN 2 0.554 -0.024 0.783 25820
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25820
14 1 3 "Average Difference" HA 2 0.518 0.312 0.584 25820
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25820
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25820
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25820
18 1 3 "Average Difference" HN 2 0.505 -0.006 0.714 25820
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25820
20 1 4 "Average Difference" HA 2 0.551 0.212 0.719 25820
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25820
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25820
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25820
24 1 4 "Average Difference" HN 2 0.555 -0.071 0.779 25820
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25820
26 1 5 "Average Difference" HA 2 0.527 0.233 0.668 25820
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25820
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25820
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25820
30 1 5 "Average Difference" HN 2 0.459 0.039 0.646 25820
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25820
32 1 6 "Average Difference" HA 2 0.595 0.280 0.742 25820
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25820
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25820
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25820
36 1 6 "Average Difference" HN 2 0.494 -0.005 0.698 25820
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25820
38 1 7 "Average Difference" HA 2 0.529 0.129 0.726 25820
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25820
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25820
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25820
42 1 7 "Average Difference" HN 2 0.598 -0.060 0.841 25820
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25820
44 1 8 "Average Difference" HA 2 0.527 0.235 0.667 25820
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25820
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25820
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25820
48 1 8 "Average Difference" HN 2 0.458 0.038 0.645 25820
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25820
50 1 9 "Average Difference" HA 2 0.533 0.236 0.676 25820
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25820
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25820
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25820
54 1 9 "Average Difference" HN 2 0.498 -0.048 0.700 25820
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25820
56 1 10 "Average Difference" HA 2 0.531 0.248 0.664 25820
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25820
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25820
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25820
60 1 10 "Average Difference" HN 2 0.539 -0.058 0.757 25820
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 25820
_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 TRP HA H 6 3.959 3.959 4.679 -0.720 25820
2 1 . 1 1 6 6 TRP H H 6 7.928 7.928 8.431 -0.503 25820
3 1 . 1 1 10 10 TRP HA H 10 5.171 5.171 4.908 0.263 25820
4 1 . 1 1 10 10 TRP H H 10 9.085 9.085 8.552 0.533 25820
stop_
save_