Content for NMR-STAR saveframe, "shift_set_3"
save_shift_set_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_3
_Assigned_chem_shift_list.Entry_ID 5981
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $condition_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 $unl-DHFR-TMP-NADPH . 5981 3
. . 2 $13C-15N-DHFR-TMP-NADPH . 5981 3
. . 3 $15N-DHFR-TMP-NADPH . 5981 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 . 2 3 1 1 TOP AH1* H 1 7.15 0.014 . 1 . . . . . . . . 5981 3
2 . 2 3 1 1 TOP AH2 H 1 7.99 0.003 . 1 . . . . . . . . 5981 3
3 . 2 3 1 1 TOP AH2* H 1 4.064 0.008 . 1 . . . . . . . . 5981 3
4 . 2 3 1 1 TOP AH3* H 1 4.143 0.003 . 1 . . . . . . . . 5981 3
5 . 2 3 1 1 TOP AH4* H 1 4.577 0.007 . 1 . . . . . . . . 5981 3
6 . 2 3 1 1 TOP AH51 H 1 4.405 0.009 . 1 . . . . . . . . 5981 3
7 . 2 3 1 1 TOP AH52 H 1 4.65 0.004 . 1 . . . . . . . . 5981 3
8 . 2 3 1 1 TOP AH61 H 1 9.403 0.01 . 2 . . . . . . . . 5981 3
9 . 2 3 1 1 TOP AH8 H 1 8.302 0.006 . 1 . . . . . . . . 5981 3
10 . 2 3 1 1 TOP NH1* H 1 4.719 0.008 . 1 . . . . . . . . 5981 3
11 . 2 3 1 1 TOP NH2 H 1 7.514 0.008 . 1 . . . . . . . . 5981 3
12 . 2 3 1 1 TOP NH3* H 1 3.896 0.013 . 1 . . . . . . . . 5981 3
13 . 2 3 1 1 TOP NH4* H 1 4.082 0.008 . 1 . . . . . . . . 5981 3
14 . 2 3 1 1 TOP NH51 H 1 4.075 0.007 . 2 . . . . . . . . 5981 3
15 . 2 3 1 1 TOP NH52 H 1 3.132 0.004 . 2 . . . . . . . . 5981 3
16 . 2 3 1 1 TOP NH5 H 1 5.67 0.009 . 1 . . . . . . . . 5981 3
17 . 2 3 1 1 TOP NH6 H 1 6.468 0.007 . 1 . . . . . . . . 5981 3
18 . 2 3 1 1 TOP NH71 H 1 7.198 0.012 . 2 . . . . . . . . 5981 3
19 . 2 3 1 1 TOP NH72 H 1 8.52 0.006 . 2 . . . . . . . . 5981 3
stop_
save_