data_19128
save_entry_information
_Entry.Sf_category entry_information
_Entry.NMR_STAR_version 3.0.9.13
_Entry.Entry_ID 19128
_Entry.PDB_ID 2M6C
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 19128
_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 3.166 3.166 4.188 -1.022 19128
2 1 1 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.450 1.157 19128
3 1 1 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
4 1 1 . 1 1 7 7 TRP H H 7 8.151 8.151 8.147 0.004 19128
5 1 2 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.186 -1.020 19128
6 1 2 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.450 1.156 19128
7 1 2 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
8 1 2 . 1 1 7 7 TRP H H 7 8.151 8.151 8.147 0.004 19128
9 1 3 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.187 -1.021 19128
10 1 3 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.449 1.157 19128
11 1 3 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.535 0.168 19128
12 1 3 . 1 1 7 7 TRP H H 7 8.151 8.151 8.147 0.004 19128
13 1 4 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.190 -1.024 19128
14 1 4 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.353 1.253 19128
15 1 4 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
16 1 4 . 1 1 7 7 TRP H H 7 8.151 8.151 8.148 0.003 19128
17 1 5 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.189 -1.023 19128
18 1 5 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.451 1.155 19128
19 1 5 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
20 1 5 . 1 1 7 7 TRP H H 7 8.151 8.151 8.147 0.004 19128
21 1 6 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.187 -1.021 19128
22 1 6 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.450 1.156 19128
23 1 6 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
24 1 6 . 1 1 7 7 TRP H H 7 8.151 8.151 8.148 0.003 19128
25 1 7 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.188 -1.022 19128
26 1 7 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.450 1.156 19128
27 1 7 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
28 1 7 . 1 1 7 7 TRP H H 7 8.151 8.151 8.146 0.005 19128
29 1 8 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.181 -1.015 19128
30 1 8 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.237 1.369 19128
31 1 8 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
32 1 8 . 1 1 7 7 TRP H H 7 8.151 8.151 8.146 0.005 19128
33 1 9 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.181 -1.015 19128
34 1 9 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.237 1.369 19128
35 1 9 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
36 1 9 . 1 1 7 7 TRP H H 7 8.151 8.151 8.146 0.005 19128
37 1 10 . 1 1 6 6 PRO HA H 6 3.166 3.166 4.180 -1.014 19128
38 1 10 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.236 1.370 19128
39 1 10 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
40 1 10 . 1 1 7 7 TRP H H 7 8.151 8.151 8.146 0.005 19128
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 19128
2 1 1 "Average Difference" HA 2 0.732 0.426 0.842 19128
3 1 1 "Average Difference" C 0 0.000 0.000 0.000 19128
4 1 1 "Average Difference" CA 0 0.000 0.000 0.000 19128
5 1 1 "Average Difference" CB 1 1.156 -1.156 0.000 19128
6 1 1 "Average Difference" HN 1 0.004 -0.004 0.000 19128
7 1 2 "Average Difference" N 0 0.000 0.000 0.000 19128
8 1 2 "Average Difference" HA 2 0.731 0.426 0.841 19128
9 1 2 "Average Difference" C 0 0.000 0.000 0.000 19128
10 1 2 "Average Difference" CA 0 0.000 0.000 0.000 19128
11 1 2 "Average Difference" CB 1 1.156 -1.156 0.000 19128
12 1 2 "Average Difference" HN 1 0.004 -0.004 0.000 19128
13 1 3 "Average Difference" N 0 0.000 0.000 0.000 19128
14 1 3 "Average Difference" HA 2 0.731 0.426 0.841 19128
15 1 3 "Average Difference" C 0 0.000 0.000 0.000 19128
16 1 3 "Average Difference" CA 0 0.000 0.000 0.000 19128
17 1 3 "Average Difference" CB 1 1.157 -1.157 0.000 19128
18 1 3 "Average Difference" HN 1 0.004 -0.004 0.000 19128
19 1 4 "Average Difference" N 0 0.000 0.000 0.000 19128
20 1 4 "Average Difference" HA 2 0.734 0.427 0.844 19128
21 1 4 "Average Difference" C 0 0.000 0.000 0.000 19128
22 1 4 "Average Difference" CA 0 0.000 0.000 0.000 19128
23 1 4 "Average Difference" CB 1 1.253 -1.253 0.000 19128
24 1 4 "Average Difference" HN 1 0.003 -0.003 0.000 19128
25 1 5 "Average Difference" N 0 0.000 0.000 0.000 19128
26 1 5 "Average Difference" HA 2 0.733 0.427 0.843 19128
27 1 5 "Average Difference" C 0 0.000 0.000 0.000 19128
28 1 5 "Average Difference" CA 0 0.000 0.000 0.000 19128
29 1 5 "Average Difference" CB 1 1.155 -1.155 0.000 19128
30 1 5 "Average Difference" HN 1 0.004 -0.004 0.000 19128
31 1 6 "Average Difference" N 0 0.000 0.000 0.000 19128
32 1 6 "Average Difference" HA 2 0.732 0.426 0.842 19128
33 1 6 "Average Difference" C 0 0.000 0.000 0.000 19128
34 1 6 "Average Difference" CA 0 0.000 0.000 0.000 19128
35 1 6 "Average Difference" CB 1 1.156 -1.156 0.000 19128
36 1 6 "Average Difference" HN 1 0.003 -0.003 0.000 19128
37 1 7 "Average Difference" N 0 0.000 0.000 0.000 19128
38 1 7 "Average Difference" HA 2 0.732 0.426 0.842 19128
39 1 7 "Average Difference" C 0 0.000 0.000 0.000 19128
40 1 7 "Average Difference" CA 0 0.000 0.000 0.000 19128
41 1 7 "Average Difference" CB 1 1.156 -1.156 0.000 19128
42 1 7 "Average Difference" HN 1 0.005 -0.005 0.000 19128
43 1 8 "Average Difference" N 0 0.000 0.000 0.000 19128
44 1 8 "Average Difference" HA 2 0.728 0.423 0.838 19128
45 1 8 "Average Difference" C 0 0.000 0.000 0.000 19128
46 1 8 "Average Difference" CA 0 0.000 0.000 0.000 19128
47 1 8 "Average Difference" CB 1 1.369 -1.369 0.000 19128
48 1 8 "Average Difference" HN 1 0.005 -0.005 0.000 19128
49 1 9 "Average Difference" N 0 0.000 0.000 0.000 19128
50 1 9 "Average Difference" HA 2 0.728 0.423 0.838 19128
51 1 9 "Average Difference" C 0 0.000 0.000 0.000 19128
52 1 9 "Average Difference" CA 0 0.000 0.000 0.000 19128
53 1 9 "Average Difference" CB 1 1.369 -1.369 0.000 19128
54 1 9 "Average Difference" HN 1 0.005 -0.005 0.000 19128
55 1 10 "Average Difference" N 0 0.000 0.000 0.000 19128
56 1 10 "Average Difference" HA 2 0.727 0.423 0.837 19128
57 1 10 "Average Difference" C 0 0.000 0.000 0.000 19128
58 1 10 "Average Difference" CA 0 0.000 0.000 0.000 19128
59 1 10 "Average Difference" CB 1 1.370 -1.370 0.000 19128
60 1 10 "Average Difference" HN 1 0.005 -0.005 0.000 19128
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 19128
_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 3.166 3.166 4.186 -1.020 19128
2 1 . 1 1 6 6 PRO CB C 6 33.606 33.606 32.376 1.230 19128
3 1 . 1 1 7 7 TRP HA H 7 4.703 4.703 4.534 0.169 19128
4 1 . 1 1 7 7 TRP H H 7 8.151 8.151 8.147 0.004 19128
stop_
save_