Content for NMR-STAR saveframe, "shift_set_2"
save_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_2
_Assigned_chem_shift_list.Entry_ID 5809
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1
_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 $sample1 . 5809 2
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 3 1 1 HEM_ox 1HMB H 1 16.35 0.2 . 1 . . . . . . . . 5809 2
2 . 4 3 1 1 HEM_ox 2HMB H 1 16.35 0.2 . 1 . . . . . . . . 5809 2
3 . 4 3 1 1 HEM_ox 3HMB H 1 16.35 0.2 . 1 . . . . . . . . 5809 2
4 . 4 3 1 1 HEM_ox 1HMC H 1 8.12 0.2 . 1 . . . . . . . . 5809 2
5 . 4 3 1 1 HEM_ox 2HMC H 1 8.12 0.2 . 1 . . . . . . . . 5809 2
6 . 4 3 1 1 HEM_ox 3HMC H 1 8.12 0.2 . 1 . . . . . . . . 5809 2
7 . 4 3 1 1 HEM_ox 1HMD H 1 22.01 0.2 . 1 . . . . . . . . 5809 2
8 . 4 3 1 1 HEM_ox 2HMD H 1 22.01 0.2 . 1 . . . . . . . . 5809 2
9 . 4 3 1 1 HEM_ox 3HMD H 1 22.01 0.2 . 1 . . . . . . . . 5809 2
10 . 4 3 1 1 HEM_ox 1HMA H 1 8.99 0.2 . 1 . . . . . . . . 5809 2
11 . 4 3 1 1 HEM_ox 2HMA H 1 8.99 0.2 . 1 . . . . . . . . 5809 2
12 . 4 3 1 1 HEM_ox 3HMA H 1 8.99 0.2 . 1 . . . . . . . . 5809 2
13 . 4 3 1 1 HEM_ox HAB H 1 14.26 0.2 . 1 . . . . . . . . 5809 2
14 . 4 3 1 1 HEM_ox 1HBB H 1 -3.04 0.2 . 1 . . . . . . . . 5809 2
15 . 4 3 1 1 HEM_ox 2HBB H 1 -2.87 0.2 . 1 . . . . . . . . 5809 2
16 . 4 3 1 1 HEM_ox HAC H 1 7.29 0.2 . 1 . . . . . . . . 5809 2
17 . 4 3 1 1 HEM_ox 1HBC H 1 -0.29 0.2 . 1 . . . . . . . . 5809 2
18 . 4 3 1 1 HEM_ox 2HBC H 1 0.71 0.2 . 1 . . . . . . . . 5809 2
19 . 4 3 1 1 HEM_ox 1HAD H 1 14.73 0.2 . 1 . . . . . . . . 5809 2
20 . 4 3 1 1 HEM_ox 2HAD H 1 9.55 0.2 . 1 . . . . . . . . 5809 2
21 . 4 3 1 1 HEM_ox 1HBD H 1 0.08 0.2 . 1 . . . . . . . . 5809 2
22 . 4 3 1 1 HEM_ox 2HBD H 1 -1.67 0.2 . 1 . . . . . . . . 5809 2
23 . 4 3 1 1 HEM_ox 1HAA H 1 1.53 0.2 . 1 . . . . . . . . 5809 2
24 . 4 3 1 1 HEM_ox 2HAA H 1 3.02 0.2 . 1 . . . . . . . . 5809 2
25 . 4 3 1 1 HEM_ox 1HBA H 1 -0.76 0.2 . 1 . . . . . . . . 5809 2
26 . 4 3 1 1 HEM_ox 2HBA H 1 -0.87 0.2 . 1 . . . . . . . . 5809 2
27 . 4 3 1 1 HEM_ox HHC H 1 1.56 0.4 . 1 . . . . . . . . 5809 2
28 . 4 3 1 1 HEM_ox HHD H 1 3.46 0.4 . 1 . . . . . . . . 5809 2
29 . 4 3 1 1 HEM_ox HHA H 1 3.5 0.4 . 1 . . . . . . . . 5809 2
30 . 4 3 1 1 HEM_ox HHB H 1 1.85 0.4 . 1 . . . . . . . . 5809 2
stop_
save_