Content for NMR-STAR saveframe, "shift3"
save_shift3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift3
_Assigned_chem_shift_list.Entry_ID 5333
_Assigned_chem_shift_list.ID 3
_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 3
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 . 3 2 1 1 HEM HHA H 1 9.26 0.02 . 1 . . . . . . . . 5333 3
2 . 3 2 1 1 HEM HHB H 1 9.60 0.02 . 1 . . . . . . . . 5333 3
3 . 3 2 1 1 HEM HHC H 1 8.70 0.02 . 1 . . . . . . . . 5333 3
4 . 3 2 1 1 HEM HHD H 1 9.15 0.02 . 1 . . . . . . . . 5333 3
5 . 3 2 1 1 HEM HMA H 1 3.15 0.02 . 1 . . . . . . . . 5333 3
6 . 3 2 1 1 HEM HMB H 1 3.78 0.02 . 1 . . . . . . . . 5333 3
7 . 3 2 1 1 HEM HMC H 1 3.18 0.02 . 1 . . . . . . . . 5333 3
8 . 3 2 1 1 HEM HMD H 1 3.36 0.02 . 1 . . . . . . . . 5333 3
9 . 3 2 1 1 HEM HAB H 1 5.06 0.02 . 1 . . . . . . . . 5333 3
10 . 3 2 1 1 HEM HAC H 1 5.90 0.02 . 1 . . . . . . . . 5333 3
11 . 3 2 1 1 HEM HBB H 1 0.38 0.02 . 1 . . . . . . . . 5333 3
12 . 3 2 1 1 HEM HBC H 1 2.00 0.02 . 1 . . . . . . . . 5333 3
13 . 3 2 1 1 HEM HAD H 1 4.31 0.02 . 2 . . . . . . . . 5333 3
14 . 3 2 1 1 HEM HADA H 1 3.81 0.02 . 2 . . . . . . . . 5333 3
15 . 3 2 1 1 HEM HBD H 1 2.92 0.02 . 1 . . . . . . . . 5333 3
16 . 3 2 1 1 HEM HBDA H 1 2.92 0.02 . 1 . . . . . . . . 5333 3
17 . 3 2 1 1 HEM HAA H 1 4.38 0.02 . 2 . . . . . . . . 5333 3
18 . 3 2 1 1 HEM HAAA H 1 3.70 0.02 . 2 . . . . . . . . 5333 3
19 . 3 2 1 1 HEM HBA H 1 3.41 0.02 . 2 . . . . . . . . 5333 3
20 . 3 2 1 1 HEM HBAA H 1 2.71 0.02 . 2 . . . . . . . . 5333 3
stop_
save_