data_19133
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19133
_Entry.PDB_ID 2M6H
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 19133
_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 2 2 CYS HA H 2 4.922 4.922 5.084 -0.162 19133
2 1 1 . 1 1 2 2 CYS H H 2 7.918 7.918 8.251 -0.333 19133
3 1 1 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.384 -0.191 19133
4 1 1 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.787 -0.232 19133
5 1 1 . 1 1 7 7 TRP H H 7 7.022 7.022 7.895 -0.873 19133
6 1 2 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.101 -0.179 19133
7 1 2 . 1 1 2 2 CYS H H 2 7.918 7.918 8.289 -0.371 19133
8 1 2 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.480 -0.287 19133
9 1 2 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.766 -0.211 19133
10 1 2 . 1 1 7 7 TRP H H 7 7.022 7.022 8.127 -1.105 19133
11 1 3 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.120 -0.198 19133
12 1 3 . 1 1 2 2 CYS H H 2 7.918 7.918 8.160 -0.242 19133
13 1 3 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.419 -0.226 19133
14 1 3 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.783 -0.228 19133
15 1 3 . 1 1 7 7 TRP H H 7 7.022 7.022 7.897 -0.875 19133
16 1 4 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.110 -0.188 19133
17 1 4 . 1 1 2 2 CYS H H 2 7.918 7.918 8.302 -0.384 19133
18 1 4 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.482 -0.289 19133
19 1 4 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.753 -0.198 19133
20 1 4 . 1 1 7 7 TRP H H 7 7.022 7.022 8.147 -1.125 19133
21 1 5 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.091 -0.169 19133
22 1 5 . 1 1 2 2 CYS H H 2 7.918 7.918 8.342 -0.424 19133
23 1 5 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.529 -0.336 19133
24 1 5 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.763 -0.208 19133
25 1 5 . 1 1 7 7 TRP H H 7 7.022 7.022 8.046 -1.024 19133
26 1 6 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.076 -0.154 19133
27 1 6 . 1 1 2 2 CYS H H 2 7.918 7.918 8.280 -0.362 19133
28 1 6 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.422 -0.229 19133
29 1 6 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.766 -0.211 19133
30 1 6 . 1 1 7 7 TRP H H 7 7.022 7.022 7.952 -0.930 19133
31 1 7 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.092 -0.170 19133
32 1 7 . 1 1 2 2 CYS H H 2 7.918 7.918 8.320 -0.402 19133
33 1 7 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.494 -0.301 19133
34 1 7 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.760 -0.205 19133
35 1 7 . 1 1 7 7 TRP H H 7 7.022 7.022 8.114 -1.092 19133
36 1 8 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.065 -0.143 19133
37 1 8 . 1 1 2 2 CYS H H 2 7.918 7.918 8.332 -0.414 19133
38 1 8 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.318 -0.125 19133
39 1 8 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.769 -0.214 19133
40 1 8 . 1 1 7 7 TRP H H 7 7.022 7.022 7.826 -0.804 19133
41 1 9 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.101 -0.179 19133
42 1 9 . 1 1 2 2 CYS H H 2 7.918 7.918 8.286 -0.368 19133
43 1 9 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.469 -0.276 19133
44 1 9 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.762 -0.207 19133
45 1 9 . 1 1 7 7 TRP H H 7 7.022 7.022 8.152 -1.130 19133
46 1 10 . 1 1 2 2 CYS HA H 2 4.922 4.922 5.133 -0.211 19133
47 1 10 . 1 1 2 2 CYS H H 2 7.918 7.918 8.172 -0.254 19133
48 1 10 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.450 -0.257 19133
49 1 10 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.650 -0.095 19133
50 1 10 . 1 1 7 7 TRP H H 7 7.022 7.022 7.889 -0.867 19133
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 19133
2 1 1 "Average Difference" HA 3 0.197 0.195 0.035 19133
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19133
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19133
5 1 1 "Average Difference" CB 0 0.000 0.000 0.000 19133
6 1 1 "Average Difference" HN 2 0.661 0.603 0.381 19133
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19133
8 1 2 "Average Difference" HA 3 0.230 0.226 0.055 19133
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19133
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19133
11 1 2 "Average Difference" CB 0 0.000 0.000 0.000 19133
12 1 2 "Average Difference" HN 2 0.824 0.738 0.520 19133
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19133
14 1 3 "Average Difference" HA 3 0.218 0.217 0.017 19133
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19133
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19133
17 1 3 "Average Difference" CB 0 0.000 0.000 0.000 19133
18 1 3 "Average Difference" HN 2 0.642 0.559 0.448 19133
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19133
20 1 4 "Average Difference" HA 3 0.230 0.225 0.056 19133
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19133
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19133
23 1 4 "Average Difference" CB 0 0.000 0.000 0.000 19133
24 1 4 "Average Difference" HN 2 0.840 0.754 0.524 19133
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19133
26 1 5 "Average Difference" HA 3 0.248 0.238 0.087 19133
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19133
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19133
29 1 5 "Average Difference" CB 0 0.000 0.000 0.000 19133
30 1 5 "Average Difference" HN 2 0.784 0.724 0.425 19133
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19133
32 1 6 "Average Difference" HA 3 0.200 0.198 0.039 19133
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19133
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19133
35 1 6 "Average Difference" CB 0 0.000 0.000 0.000 19133
36 1 6 "Average Difference" HN 2 0.706 0.646 0.402 19133
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19133
38 1 7 "Average Difference" HA 3 0.232 0.225 0.068 19133
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19133
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19133
41 1 7 "Average Difference" CB 0 0.000 0.000 0.000 19133
42 1 7 "Average Difference" HN 2 0.823 0.747 0.488 19133
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19133
44 1 8 "Average Difference" HA 3 0.165 0.161 0.047 19133
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19133
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19133
47 1 8 "Average Difference" CB 0 0.000 0.000 0.000 19133
48 1 8 "Average Difference" HN 2 0.639 0.609 0.275 19133
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19133
50 1 9 "Average Difference" HA 3 0.224 0.221 0.050 19133
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19133
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19133
53 1 9 "Average Difference" CB 0 0.000 0.000 0.000 19133
54 1 9 "Average Difference" HN 2 0.841 0.749 0.539 19133
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19133
56 1 10 "Average Difference" HA 3 0.200 0.188 0.083 19133
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19133
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19133
59 1 10 "Average Difference" CB 0 0.000 0.000 0.000 19133
60 1 10 "Average Difference" HN 2 0.639 0.561 0.433 19133
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 19133
_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 2 2 CYS HA H 2 4.922 4.922 5.097 -0.175 19133
2 1 . 1 1 2 2 CYS H H 2 7.918 7.918 8.273 -0.355 19133
3 1 . 1 1 6 6 PRO HA H 6 4.193 4.193 4.445 -0.252 19133
4 1 . 1 1 7 7 TRP HA H 7 4.555 4.555 4.756 -0.201 19133
5 1 . 1 1 7 7 TRP H H 7 7.022 7.022 8.004 -0.982 19133
stop_
save_