Content for NMR-STAR saveframe, "chemical_shift_assignment_set_four"
save_chemical_shift_assignment_set_four
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_set_four
_Assigned_chem_shift_list.Entry_ID 4001
_Assigned_chem_shift_list.ID 4
_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 for the protein segment
from residues 1 to 15. 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 4
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 4 4 LEU HA H 1 4.04 . . 1 . . . . . . . . 4001 4
2 . 1 1 4 4 LEU HB2 H 1 1.89 . . 2 . . . . . . . . 4001 4
3 . 1 1 4 4 LEU HB3 H 1 1.75 . . 2 . . . . . . . . 4001 4
4 . 1 1 4 4 LEU HG H 1 1.21 . . 1 . . . . . . . . 4001 4
5 . 1 1 4 4 LEU HD11 H 1 0.99 . . 2 . . . . . . . . 4001 4
6 . 1 1 4 4 LEU HD12 H 1 0.99 . . 2 . . . . . . . . 4001 4
7 . 1 1 4 4 LEU HD13 H 1 0.99 . . 2 . . . . . . . . 4001 4
8 . 1 1 4 4 LEU HD21 H 1 0.75 . . 2 . . . . . . . . 4001 4
9 . 1 1 4 4 LEU HD22 H 1 0.75 . . 2 . . . . . . . . 4001 4
10 . 1 1 4 4 LEU HD23 H 1 0.75 . . 2 . . . . . . . . 4001 4
11 . 1 1 4 4 LEU H H 1 8.92 . . 1 . . . . . . . . 4001 4
12 . 1 1 4 4 LEU C C 13 178.46 . . 1 . . . . . . . . 4001 4
13 . 1 1 4 4 LEU CA C 13 58.62 . . 1 . . . . . . . . 4001 4
14 . 1 1 4 4 LEU CB C 13 41.93 . . 1 . . . . . . . . 4001 4
15 . 1 1 4 4 LEU CG C 13 29.00 . . 1 . . . . . . . . 4001 4
16 . 1 1 4 4 LEU CD1 C 13 26.92 . . 2 . . . . . . . . 4001 4
17 . 1 1 4 4 LEU CD2 C 13 26.4 . . 2 . . . . . . . . 4001 4
18 . 1 1 4 4 LEU N N 15 121.62 . . 1 . . . . . . . . 4001 4
19 . 1 1 6 6 LYS HA H 1 3.9 . . 1 . . . . . . . . 4001 4
20 . 1 1 6 6 LYS HB2 H 1 1.89 . . 1 . . . . . . . . 4001 4
21 . 1 1 6 6 LYS HB3 H 1 1.89 . . 1 . . . . . . . . 4001 4
22 . 1 1 6 6 LYS HG2 H 1 1.48 . . 1 . . . . . . . . 4001 4
23 . 1 1 6 6 LYS HG3 H 1 1.48 . . 1 . . . . . . . . 4001 4
24 . 1 1 6 6 LYS HD2 H 1 1.73 . . 1 . . . . . . . . 4001 4
25 . 1 1 6 6 LYS HD3 H 1 1.73 . . 1 . . . . . . . . 4001 4
26 . 1 1 6 6 LYS HE2 H 1 2.98 . . 1 . . . . . . . . 4001 4
27 . 1 1 6 6 LYS HE3 H 1 2.98 . . 1 . . . . . . . . 4001 4
28 . 1 1 6 6 LYS H H 1 8.51 . . 1 . . . . . . . . 4001 4
29 . 1 1 6 6 LYS C C 13 179.8 . . 1 . . . . . . . . 4001 4
30 . 1 1 6 6 LYS CA C 13 60.31 . . 1 . . . . . . . . 4001 4
31 . 1 1 6 6 LYS CB C 13 32.72 . . 1 . . . . . . . . 4001 4
32 . 1 1 6 6 LYS CG C 13 25.87 . . 1 . . . . . . . . 4001 4
33 . 1 1 6 6 LYS CD C 13 29.53 . . 1 . . . . . . . . 4001 4
34 . 1 1 6 6 LYS CE C 13 36.31 . . 1 . . . . . . . . 4001 4
35 . 1 1 6 6 LYS N N 15 117.59 . . 1 . . . . . . . . 4001 4
stop_
save_