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 5269
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $ex-cond_3
_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
;
The chemical shifts in this section were published in:
Lecomte, J.T.J., Scott, N.L., Vu, B.C., and Falzone, C.J.,
"Binding of Ferric Heme by the Recombinant Globin From the
Cyanobacterium Synechocystis sp. PCC 6803."
Biochemistry 40, 6541-6552, (2001)
;
_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 2QF-COSY . . . 5269 2
2 TOCSY . . . 5269 2
3 NOESY . . . 5269 2
4 1H-15N-NOESY . . . 5269 2
5 1H-15N-TOCSY . . . 5269 2
6 HNCA . . . 5269 2
7 HN(CA)CO . . . 5269 2
8 HNCO . . . 5269 2
9 HCCH-TOCSY . . . 5269 2
10 HCCH-COSY . . . 5269 2
11 CBCA(CO)NH . . . 5269 2
12 CBCANH . . . 5269 2
13 '1H-13C HSQC-NOESY' . . . 5269 2
14 HCC(CO)NH . . . 5269 2
15 '1H-15N HMQC' . . . 5269 2
16 '1H-13C HMQC' . . . 5269 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 . 2 2 1 1 HEM HAB H 1 15.54 0.05 . 1 . . . . . . . . 5269 2
2 . 2 2 1 1 HEM HAC H 1 6.84 0.05 . 1 . . . . . . . . 5269 2
3 . 2 2 1 1 HEM HBB H 1 -4.54 0.05 . 1 . . . . . . . . 5269 2
4 . 2 2 1 1 HEM HBBA H 1 -5.15 0.05 . 1 . . . . . . . . 5269 2
5 . 2 2 1 1 HEM HBC H 1 -1.67 0.05 . 1 . . . . . . . . 5269 2
6 . 2 2 1 1 HEM HBCA H 1 -2.14 0.05 . 1 . . . . . . . . 5269 2
7 . 2 2 1 1 HEM HMA H 1 10.37 0.05 . 1 . . . . . . . . 5269 2
8 . 2 2 1 1 HEM HMB H 1 15.07 0.05 . 1 . . . . . . . . 5269 2
9 . 2 2 1 1 HEM HMC H 1 9.98 0.05 . 1 . . . . . . . . 5269 2
10 . 2 2 1 1 HEM HMD H 1 21.27 0.05 . 1 . . . . . . . . 5269 2
stop_
save_