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 4777
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond_set_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 $sample_1 . 4777 2
. . 2 $sample_2 . 4777 2
. . 3 $sample_3 . 4777 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 HEC HHA H 1 7.57 0.01 . 1 . . . . . . . . 4777 2
2 . 2 2 1 1 HEC HHB H 1 -0.68 0.01 . 9 . . . . . . . . 4777 2
3 . 2 2 1 1 HEC HHC H 1 3.26 0.01 . 1 . . . . . . . . 4777 2
4 . 2 2 1 1 HEC HHD H 1 0.05 0.01 . 1 . . . . . . . . 4777 2
5 . 2 2 1 1 HEC CAA C 13 -21.7 0.1 . 1 . . . . . . . . 4777 2
6 . 2 2 1 1 HEC HAA1 H 1 9.63 0.01 . 1 . . . . . . . . 4777 2
7 . 2 2 1 1 HEC HAA2 H 1 14.32 0.01 . 1 . . . . . . . . 4777 2
8 . 2 2 1 1 HEC CBA C 13 111.8 0.1 . 1 . . . . . . . . 4777 2
9 . 2 2 1 1 HEC HBA1 H 1 -1.15 0.01 . 1 . . . . . . . . 4777 2
10 . 2 2 1 1 HEC HBA2 H 1 0.45 0.01 . 1 . . . . . . . . 4777 2
11 . 2 2 1 1 HEC CAB C 13 5.3 0.1 . 1 . . . . . . . . 4777 2
12 . 2 2 1 1 HEC HAB H 1 -1.07 0.01 . 1 . . . . . . . . 4777 2
13 . 2 2 1 1 HEC HAC H 1 1.42 0.01 . 1 . . . . . . . . 4777 2
14 . 2 2 1 1 HEC CAD C 13 -4.0 0.1 . 1 . . . . . . . . 4777 2
15 . 2 2 1 1 HEC HAD1 H 1 5.30 0.01 . 1 . . . . . . . . 4777 2
16 . 2 2 1 1 HEC HAD2 H 1 -0.73 0.01 . 1 . . . . . . . . 4777 2
17 . 2 2 1 1 HEC CBD C 13 82.0 0.1 . 1 . . . . . . . . 4777 2
18 . 2 2 1 1 HEC HBD1 H 1 2.21 0.01 . 1 . . . . . . . . 4777 2
19 . 2 2 1 1 HEC HBD2 H 1 1.01 0.01 . 1 . . . . . . . . 4777 2
20 . 2 2 1 1 HEC HMA H 1 32.43 0.01 . 1 . . . . . . . . 4777 2
21 . 2 2 1 1 HEC CMB C 13 -29.6 0.1 . 1 . . . . . . . . 4777 2
22 . 2 2 1 1 HEC HMB H 1 13.12 0.01 . 1 . . . . . . . . 4777 2
23 . 2 2 1 1 HEC HMC H 1 32.27 0.01 . 1 . . . . . . . . 4777 2
24 . 2 2 1 1 HEC CMD C 13 -32.8 0.1 . 1 . . . . . . . . 4777 2
25 . 2 2 1 1 HEC HMD H 1 16.57 0.01 . 1 . . . . . . . . 4777 2
26 . 2 2 1 1 HEC CBB C 13 41.2 0.1 . 1 . . . . . . . . 4777 2
27 . 2 2 1 1 HEC HBB H 1 -1.38 0.01 . 1 . . . . . . . . 4777 2
28 . 2 2 1 1 HEC CBC C 13 90.1 0.1 . 1 . . . . . . . . 4777 2
29 . 2 2 1 1 HEC HBC H 1 2.19 0.01 . 1 . . . . . . . . 4777 2
stop_
save_