Content for NMR-STAR saveframe, "chemical_shift_assignment_set_seven"
save_chemical_shift_assignment_set_seven
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_seven
_Assigned_chem_shift_list.Entry_ID 4001
_Assigned_chem_shift_list.ID 7
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one
_Assigned_chem_shift_list.Chem_shift_1H_err .
_Assigned_chem_shift_list.Chem_shift_13C_err .
_Assigned_chem_shift_list.Chem_shift_15N_err .
_Assigned_chem_shift_list.Chem_shift_31P_err .
_Assigned_chem_shift_list.Chem_shift_2H_err .
_Assigned_chem_shift_list.Chem_shift_19F_err .
_Assigned_chem_shift_list.Error_derivation_method .
_Assigned_chem_shift_list.Details
;
This save frame contains one set of peak assignments reported for residues
in the protein segment from residues 41 to 46. Multiple resonances were not
reported for all residues in this segment.
;
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
loop_
_Chem_shift_experiment.Experiment_ID
_Chem_shift_experiment.Experiment_name
_Chem_shift_experiment.Sample_ID
_Chem_shift_experiment.Sample_label
_Chem_shift_experiment.Sample_state
_Chem_shift_experiment.Entry_ID
_Chem_shift_experiment.Assigned_chem_shift_list_ID
. . 1 $sample_one . 4001 7
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_ID
_Atom_chem_shift.Comp_index_ID
_Atom_chem_shift.Seq_ID
_Atom_chem_shift.Comp_ID
_Atom_chem_shift.Atom_ID
_Atom_chem_shift.Atom_type
_Atom_chem_shift.Atom_isotope_number
_Atom_chem_shift.Val
_Atom_chem_shift.Val_err
_Atom_chem_shift.Assign_fig_of_merit
_Atom_chem_shift.Ambiguity_code
_Atom_chem_shift.Occupancy
_Atom_chem_shift.Resonance_ID
_Atom_chem_shift.Auth_entity_assembly_ID
_Atom_chem_shift.Auth_asym_ID
_Atom_chem_shift.Auth_seq_ID
_Atom_chem_shift.Auth_comp_ID
_Atom_chem_shift.Auth_atom_ID
_Atom_chem_shift.Details
_Atom_chem_shift.Entry_ID
_Atom_chem_shift.Assigned_chem_shift_list_ID
1 . 1 1 42 42 SER HA H 1 4.04 . . 1 . . . . . . . . 4001 7
2 . 1 1 42 42 SER HB2 H 1 3.88 . . 1 . . . . . . . . 4001 7
3 . 1 1 42 42 SER HB3 H 1 3.88 . . 1 . . . . . . . . 4001 7
4 . 1 1 42 42 SER H H 1 6.78 . . 1 . . . . . . . . 4001 7
5 . 1 1 42 42 SER C C 13 176.4 . . 1 . . . . . . . . 4001 7
6 . 1 1 42 42 SER CA C 13 62.68 . . 1 . . . . . . . . 4001 7
7 . 1 1 42 42 SER CB C 13 61.9 . . 1 . . . . . . . . 4001 7
8 . 1 1 42 42 SER N N 15 112.75 . . 1 . . . . . . . . 4001 7
9 . 1 1 43 43 HIS HA H 1 4.69 . . 1 . . . . . . . . 4001 7
10 . 1 1 43 43 HIS HB2 H 1 3.49 . . 2 . . . . . . . . 4001 7
11 . 1 1 43 43 HIS HB3 H 1 3.33 . . 2 . . . . . . . . 4001 7
12 . 1 1 43 43 HIS H H 1 9.46 . . 1 . . . . . . . . 4001 7
13 . 1 1 43 43 HIS C C 13 179.31 . . 1 . . . . . . . . 4001 7
14 . 1 1 43 43 HIS CA C 13 59.4 . . 1 . . . . . . . . 4001 7
15 . 1 1 43 43 HIS CB C 13 27.2 . . 1 . . . . . . . . 4001 7
16 . 1 1 43 43 HIS N N 15 121.37 . . 1 . . . . . . . . 4001 7
17 . 1 1 45 45 LEU HA H 1 4.07 . . 1 . . . . . . . . 4001 7
18 . 1 1 45 45 LEU HB2 H 1 1.75 . . 1 . . . . . . . . 4001 7
19 . 1 1 45 45 LEU HB3 H 1 1.75 . . 1 . . . . . . . . 4001 7
20 . 1 1 45 45 LEU HG H 1 1.62 . . 1 . . . . . . . . 4001 7
21 . 1 1 45 45 LEU HD11 H 1 0.78 . . 1 . . . . . . . . 4001 7
22 . 1 1 45 45 LEU HD12 H 1 0.78 . . 1 . . . . . . . . 4001 7
23 . 1 1 45 45 LEU HD13 H 1 0.78 . . 1 . . . . . . . . 4001 7
24 . 1 1 45 45 LEU HD21 H 1 0.78 . . 1 . . . . . . . . 4001 7
25 . 1 1 45 45 LEU HD22 H 1 0.78 . . 1 . . . . . . . . 4001 7
26 . 1 1 45 45 LEU HD23 H 1 0.78 . . 1 . . . . . . . . 4001 7
27 . 1 1 45 45 LEU H H 1 8.15 . . 1 . . . . . . . . 4001 7
28 . 1 1 45 45 LEU C C 13 177.62 . . 1 . . . . . . . . 4001 7
29 . 1 1 45 45 LEU CA C 13 56.4 . . 1 . . . . . . . . 4001 7
30 . 1 1 45 45 LEU CB C 13 41.47 . . 1 . . . . . . . . 4001 7
31 . 1 1 45 45 LEU CG C 13 26.4 . . 1 . . . . . . . . 4001 7
32 . 1 1 45 45 LEU CD1 C 13 23.27 . . 1 . . . . . . . . 4001 7
33 . 1 1 45 45 LEU CD2 C 13 23.27 . . 1 . . . . . . . . 4001 7
34 . 1 1 45 45 LEU N N 15 115.33 . . 1 . . . . . . . . 4001 7
35 . 1 1 46 46 GLU HA H 1 4.23 . . 1 . . . . . . . . 4001 7
36 . 1 1 46 46 GLU HB2 H 1 2.24 . . 1 . . . . . . . . 4001 7
37 . 1 1 46 46 GLU HB3 H 1 2.24 . . 1 . . . . . . . . 4001 7
38 . 1 1 46 46 GLU HG2 H 1 2.79 . . 2 . . . . . . . . 4001 7
39 . 1 1 46 46 GLU HG3 H 1 2.35 . . 2 . . . . . . . . 4001 7
40 . 1 1 46 46 GLU H H 1 7.32 . . 1 . . . . . . . . 4001 7
41 . 1 1 46 46 GLU C C 13 177.25 . . 1 . . . . . . . . 4001 7
42 . 1 1 46 46 GLU CA C 13 57.84 . . 1 . . . . . . . . 4001 7
43 . 1 1 46 46 GLU CB C 13 30.42 . . 1 . . . . . . . . 4001 7
44 . 1 1 46 46 GLU CG C 13 36.83 . . 1 . . . . . . . . 4001 7
45 . 1 1 46 46 GLU N N 15 118.63 . . 1 . . . . . . . . 4001 7
46 . 1 1 47 47 GLU HA H 1 4.64 . . 1 . . . . . . . . 4001 7
47 . 1 1 47 47 GLU HB2 H 1 1.97 . . 1 . . . . . . . . 4001 7
48 . 1 1 47 47 GLU HB3 H 1 1.97 . . 1 . . . . . . . . 4001 7
49 . 1 1 47 47 GLU HG2 H 1 2.22 . . 1 . . . . . . . . 4001 7
50 . 1 1 47 47 GLU HG3 H 1 2.22 . . 1 . . . . . . . . 4001 7
51 . 1 1 47 47 GLU H H 1 7.63 . . 1 . . . . . . . . 4001 7
52 . 1 1 47 47 GLU C C 13 174.58 . . 1 . . . . . . . . 4001 7
53 . 1 1 47 47 GLU CA C 13 54.31 . . 1 . . . . . . . . 4001 7
54 . 1 1 47 47 GLU CB C 13 29.96 . . 1 . . . . . . . . 4001 7
55 . 1 1 47 47 GLU CG C 13 35.27 . . 1 . . . . . . . . 4001 7
56 . 1 1 47 47 GLU N N 15 119.52 . . 1 . . . . . . . . 4001 7
stop_
save_