data_19619
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19619
_Entry.PDB_ID 2MH5
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 19619
_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 11 11 CYS HA H 11 4.021 4.021 4.732 -0.711 19619
2 1 1 . 1 1 11 11 CYS CB C 11 38.733 38.733 27.292 11.441 19619
3 1 1 . 1 1 16 16 GLY CA C 16 44.938 44.938 44.207 0.731 19619
4 1 2 . 1 1 11 11 CYS HA H 11 4.021 4.021 4.532 -0.511 19619
5 1 2 . 1 1 11 11 CYS CB C 11 38.733 38.733 24.093 14.640 19619
6 1 2 . 1 1 16 16 GLY CA C 16 44.938 44.938 45.350 -0.412 19619
7 1 3 . 1 1 11 11 CYS HA H 11 4.021 4.021 4.592 -0.571 19619
8 1 3 . 1 1 11 11 CYS CB C 11 38.733 38.733 26.312 12.421 19619
9 1 3 . 1 1 16 16 GLY CA C 16 44.938 44.938 45.036 -0.098 19619
10 1 4 . 1 1 11 11 CYS HA H 11 4.021 4.021 5.015 -0.994 19619
11 1 4 . 1 1 11 11 CYS CB C 11 38.733 38.733 27.760 10.973 19619
12 1 4 . 1 1 16 16 GLY CA C 16 44.938 44.938 44.878 0.060 19619
13 1 5 . 1 1 11 11 CYS HA H 11 4.021 4.021 4.806 -0.785 19619
14 1 5 . 1 1 11 11 CYS CB C 11 38.733 38.733 27.246 11.487 19619
15 1 5 . 1 1 16 16 GLY CA C 16 44.938 44.938 45.329 -0.391 19619
16 1 6 . 1 1 11 11 CYS HA H 11 4.021 4.021 4.555 -0.534 19619
17 1 6 . 1 1 11 11 CYS CB C 11 38.733 38.733 26.895 11.838 19619
18 1 6 . 1 1 16 16 GLY CA C 16 44.938 44.938 44.222 0.716 19619
19 1 7 . 1 1 11 11 CYS HA H 11 4.021 4.021 4.937 -0.916 19619
20 1 7 . 1 1 11 11 CYS CB C 11 38.733 38.733 27.861 10.872 19619
21 1 7 . 1 1 16 16 GLY CA C 16 44.938 44.938 45.887 -0.949 19619
22 1 8 . 1 1 11 11 CYS HA H 11 4.021 4.021 4.951 -0.930 19619
23 1 8 . 1 1 11 11 CYS CB C 11 38.733 38.733 29.907 8.826 19619
24 1 8 . 1 1 16 16 GLY CA C 16 44.938 44.938 45.617 -0.680 19619
25 1 9 . 1 1 11 11 CYS HA H 11 4.021 4.021 4.935 -0.914 19619
26 1 9 . 1 1 11 11 CYS CB C 11 38.733 38.733 27.622 11.111 19619
27 1 9 . 1 1 16 16 GLY CA C 16 44.938 44.938 45.277 -0.339 19619
28 1 10 . 1 1 11 11 CYS HA H 11 4.021 4.021 4.819 -0.798 19619
29 1 10 . 1 1 11 11 CYS CB C 11 38.733 38.733 27.531 11.202 19619
30 1 10 . 1 1 16 16 GLY CA C 16 44.938 44.938 44.881 0.057 19619
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 19619
2 1 1 "Average Difference" HA 5 0.509 -0.042 0.568 19619
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19619
4 1 1 "Average Difference" CA 1 0.731 -0.731 0.000 19619
5 1 1 "Average Difference" CB 1 11.441 -11.441 0.000 19619
6 1 1 "Average Difference" HN 0 0.000 0.000 0.000 19619
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19619
8 1 2 "Average Difference" HA 5 0.441 0.243 0.412 19619
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19619
10 1 2 "Average Difference" CA 1 0.412 0.412 0.000 19619
11 1 2 "Average Difference" CB 1 14.640 -14.640 0.000 19619
12 1 2 "Average Difference" HN 0 0.000 0.000 0.000 19619
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19619
14 1 3 "Average Difference" HA 5 0.476 0.053 0.529 19619
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19619
16 1 3 "Average Difference" CA 1 0.098 0.098 0.000 19619
17 1 3 "Average Difference" CB 1 12.421 -12.421 0.000 19619
18 1 3 "Average Difference" HN 0 0.000 0.000 0.000 19619
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19619
20 1 4 "Average Difference" HA 5 0.576 0.199 0.605 19619
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19619
22 1 4 "Average Difference" CA 1 0.060 -0.060 0.000 19619
23 1 4 "Average Difference" CB 1 10.973 -10.973 0.000 19619
24 1 4 "Average Difference" HN 0 0.000 0.000 0.000 19619
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19619
26 1 5 "Average Difference" HA 5 0.510 0.220 0.514 19619
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19619
28 1 5 "Average Difference" CA 1 0.391 0.391 0.000 19619
29 1 5 "Average Difference" CB 1 11.487 -11.487 0.000 19619
30 1 5 "Average Difference" HN 0 0.000 0.000 0.000 19619
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19619
32 1 6 "Average Difference" HA 5 0.451 -0.048 0.501 19619
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19619
34 1 6 "Average Difference" CA 1 0.716 -0.716 0.000 19619
35 1 6 "Average Difference" CB 1 11.838 -11.838 0.000 19619
36 1 6 "Average Difference" HN 0 0.000 0.000 0.000 19619
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19619
38 1 7 "Average Difference" HA 5 0.541 0.136 0.585 19619
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19619
40 1 7 "Average Difference" CA 1 0.949 0.949 0.000 19619
41 1 7 "Average Difference" CB 1 10.872 -10.872 0.000 19619
42 1 7 "Average Difference" HN 0 0.000 0.000 0.000 19619
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19619
44 1 8 "Average Difference" HA 5 0.551 0.141 0.596 19619
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19619
46 1 8 "Average Difference" CA 1 0.680 0.680 0.000 19619
47 1 8 "Average Difference" CB 1 8.826 -8.826 0.000 19619
48 1 8 "Average Difference" HN 0 0.000 0.000 0.000 19619
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19619
50 1 9 "Average Difference" HA 5 0.569 0.032 0.635 19619
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19619
52 1 9 "Average Difference" CA 1 0.339 0.339 0.000 19619
53 1 9 "Average Difference" CB 1 11.111 -11.111 0.000 19619
54 1 9 "Average Difference" HN 0 0.000 0.000 0.000 19619
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19619
56 1 10 "Average Difference" HA 5 0.515 0.123 0.559 19619
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19619
58 1 10 "Average Difference" CA 1 0.057 -0.057 0.000 19619
59 1 10 "Average Difference" CB 1 11.202 -11.202 0.000 19619
60 1 10 "Average Difference" HN 0 0.000 0.000 0.000 19619
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 19619
_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 11 11 CYS HA H 11 4.021 4.021 4.787 -0.766 19619
2 1 . 1 1 11 11 CYS CB C 11 38.733 38.733 27.252 11.481 19619
3 1 . 1 1 16 16 GLY CA C 16 44.938 44.938 45.068 -0.131 19619
stop_
save_