data_25813
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 25813
_Entry.PDB_ID 2N7N
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 25813
_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 4.098 4.098 4.561 -0.463 25813
2 1 1 . 1 1 10 10 TRP HA H 10 5.187 5.187 4.981 0.206 25813
3 1 1 . 1 1 10 10 TRP H H 10 9.085 9.085 8.521 0.564 25813
4 1 2 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.605 -0.507 25813
5 1 2 . 1 1 10 10 TRP HA H 10 5.187 5.187 4.909 0.278 25813
6 1 2 . 1 1 10 10 TRP H H 10 9.085 9.085 8.541 0.544 25813
7 1 3 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.612 -0.514 25813
8 1 3 . 1 1 10 10 TRP HA H 10 5.187 5.187 4.957 0.230 25813
9 1 3 . 1 1 10 10 TRP H H 10 9.085 9.085 8.564 0.521 25813
10 1 4 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.765 -0.667 25813
11 1 4 . 1 1 10 10 TRP HA H 10 5.187 5.187 4.988 0.199 25813
12 1 4 . 1 1 10 10 TRP H H 10 9.085 9.085 8.585 0.500 25813
13 1 5 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.902 -0.804 25813
14 1 5 . 1 1 10 10 TRP HA H 10 5.187 5.187 5.004 0.183 25813
15 1 5 . 1 1 10 10 TRP H H 10 9.085 9.085 8.504 0.581 25813
16 1 6 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.780 -0.682 25813
17 1 6 . 1 1 10 10 TRP HA H 10 5.187 5.187 4.878 0.309 25813
18 1 6 . 1 1 10 10 TRP H H 10 9.085 9.085 8.538 0.547 25813
19 1 7 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.741 -0.643 25813
20 1 7 . 1 1 10 10 TRP HA H 10 5.187 5.187 4.882 0.305 25813
21 1 7 . 1 1 10 10 TRP H H 10 9.085 9.085 8.485 0.600 25813
22 1 8 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.779 -0.681 25813
23 1 8 . 1 1 10 10 TRP HA H 10 5.187 5.187 4.837 0.350 25813
24 1 8 . 1 1 10 10 TRP H H 10 9.085 9.085 8.455 0.630 25813
25 1 9 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.854 -0.756 25813
26 1 9 . 1 1 10 10 TRP HA H 10 5.187 5.187 5.011 0.176 25813
27 1 9 . 1 1 10 10 TRP H H 10 9.085 9.085 8.616 0.469 25813
28 1 10 . 1 1 6 6 PRO HA H 6 4.098 4.098 4.677 -0.579 25813
29 1 10 . 1 1 10 10 TRP HA H 10 5.187 5.187 5.045 0.142 25813
30 1 10 . 1 1 10 10 TRP H H 10 9.085 9.085 8.475 0.610 25813
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 25813
2 1 1 "Average Difference" HA 2 0.358 0.129 0.473 25813
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 25813
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 25813
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 25813
6 1 1 "Average Difference" HN 1 0.564 -0.564 0.000 25813
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 25813
8 1 2 "Average Difference" HA 2 0.409 0.114 0.555 25813
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 25813
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 25813
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 25813
12 1 2 "Average Difference" HN 1 0.544 -0.544 0.000 25813
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 25813
14 1 3 "Average Difference" HA 2 0.398 0.142 0.526 25813
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 25813
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 25813
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 25813
18 1 3 "Average Difference" HN 1 0.521 -0.521 0.000 25813
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 25813
20 1 4 "Average Difference" HA 2 0.492 0.234 0.612 25813
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 25813
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 25813
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 25813
24 1 4 "Average Difference" HN 1 0.500 -0.500 0.000 25813
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 25813
26 1 5 "Average Difference" HA 2 0.583 0.310 0.698 25813
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 25813
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 25813
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 25813
30 1 5 "Average Difference" HN 1 0.581 -0.581 0.000 25813
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 25813
32 1 6 "Average Difference" HA 2 0.530 0.187 0.701 25813
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 25813
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 25813
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 25813
36 1 6 "Average Difference" HN 1 0.547 -0.547 0.000 25813
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 25813
38 1 7 "Average Difference" HA 2 0.503 0.169 0.670 25813
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 25813
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 25813
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 25813
42 1 7 "Average Difference" HN 1 0.600 -0.600 0.000 25813
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 25813
44 1 8 "Average Difference" HA 2 0.541 0.166 0.729 25813
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 25813
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 25813
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 25813
48 1 8 "Average Difference" HN 1 0.630 -0.630 0.000 25813
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 25813
50 1 9 "Average Difference" HA 2 0.549 0.290 0.659 25813
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 25813
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 25813
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 25813
54 1 9 "Average Difference" HN 1 0.469 -0.469 0.000 25813
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 25813
56 1 10 "Average Difference" HA 2 0.422 0.219 0.510 25813
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 25813
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 25813
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 25813
60 1 10 "Average Difference" HN 1 0.610 -0.610 0.000 25813
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 25813
_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 4.098 4.098 4.728 -0.630 25813
2 1 . 1 1 10 10 TRP HA H 10 5.187 5.187 4.949 0.238 25813
3 1 . 1 1 10 10 TRP H H 10 9.085 9.085 8.528 0.557 25813
stop_
save_