Content for NMR-STAR saveframe, "shift4"
save_shift4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift4
_Assigned_chem_shift_list.Entry_ID 5333
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditon
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 .
_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 . 5333 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 . 4 2 1 1 HEM HHA H 1 9.17 0.02 . 1 . . . . . . . . 5333 4
2 . 4 2 1 1 HEM HHB H 1 10.15 0.02 . 1 . . . . . . . . 5333 4
3 . 4 2 1 1 HEM HHC H 1 9.99 0.02 . 1 . . . . . . . . 5333 4
4 . 4 2 1 1 HEM HHD H 1 9.75 0.02 . 1 . . . . . . . . 5333 4
5 . 4 2 1 1 HEM HMA H 1 3.65 0.02 . 1 . . . . . . . . 5333 4
6 . 4 2 1 1 HEM HMB H 1 4.68 0.02 . 1 . . . . . . . . 5333 4
7 . 4 2 1 1 HEM HMC H 1 3.99 0.02 . 1 . . . . . . . . 5333 4
8 . 4 2 1 1 HEM HMD H 1 3.49 0.02 . 1 . . . . . . . . 5333 4
9 . 4 2 1 1 HEM HAB H 1 6.84 0.02 . 1 . . . . . . . . 5333 4
10 . 4 2 1 1 HEM HAC H 1 6.65 0.02 . 1 . . . . . . . . 5333 4
11 . 4 2 1 1 HEM HBB H 1 3.00 0.02 . 1 . . . . . . . . 5333 4
12 . 4 2 1 1 HEM HBC H 1 2.88 0.02 . 1 . . . . . . . . 5333 4
13 . 4 2 1 1 HEM HAD H 1 3.87 0.02 . 2 . . . . . . . . 5333 4
14 . 4 2 1 1 HEM HADA H 1 3.95 0.02 . 2 . . . . . . . . 5333 4
15 . 4 2 1 1 HEM HBD H 1 3.09 0.02 . 2 . . . . . . . . 5333 4
16 . 4 2 1 1 HEM HBDA H 1 2.95 0.02 . 2 . . . . . . . . 5333 4
17 . 4 2 1 1 HEM HAA H 1 4.39 0.02 . 2 . . . . . . . . 5333 4
18 . 4 2 1 1 HEM HAAA H 1 3.87 0.02 . 2 . . . . . . . . 5333 4
19 . 4 2 1 1 HEM HBA H 1 3.19 0.02 . 2 . . . . . . . . 5333 4
20 . 4 2 1 1 HEM HBAA H 1 3.15 0.02 . 2 . . . . . . . . 5333 4
stop_
save_