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 5406
_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 .
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_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 . 5406 2
. . 2 $sample_2 . 5406 2
. . 3 $sample_3 . 5406 2
. . 4 $sample_4 . 5406 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 9.63 0.01 . 1 . . . . . . . . 5406 2
2 . 2 2 1 1 HEC HAA1 H 1 4.185 0.01 . 2 . . . . . . . . 5406 2
3 . 2 2 1 1 HEC HAA2 H 1 3.695 0.01 . 2 . . . . . . . . 5406 2
4 . 2 2 1 1 HEC HBA1 H 1 3.242 0.01 . 2 . . . . . . . . 5406 2
5 . 2 2 1 1 HEC HBA2 H 1 2.696 0.01 . 2 . . . . . . . . 5406 2
6 . 2 2 1 1 HEC HMA H 1 2.178 0.01 . 1 . . . . . . . . 5406 2
7 . 2 2 1 1 HEC CHA C 13 98.044 0.1 . 1 . . . . . . . . 5406 2
8 . 2 2 1 1 HEC CAA C 13 24.628 0.1 . 1 . . . . . . . . 5406 2
9 . 2 2 1 1 HEC CBA C 13 44.845 0.1 . 1 . . . . . . . . 5406 2
10 . 2 2 1 1 HEC CMA C 13 13.043 0.1 . 1 . . . . . . . . 5406 2
11 . 2 2 1 1 HEC HHB H 1 9.047 0.01 . 1 . . . . . . . . 5406 2
12 . 2 2 1 1 HEC HAB H 1 5.248 0.01 . 1 . . . . . . . . 5406 2
13 . 2 2 1 1 HEC HBB H 1 1.513 0.01 . 1 . . . . . . . . 5406 2
14 . 2 2 1 1 HEC HMB H 1 3.51 0.01 . 1 . . . . . . . . 5406 2
15 . 2 2 1 1 HEC CHB C 13 98.033 0.1 . 1 . . . . . . . . 5406 2
16 . 2 2 1 1 HEC CAB C 13 35.982 0.1 . 1 . . . . . . . . 5406 2
17 . 2 2 1 1 HEC CBB C 13 26.263 0.1 . 1 . . . . . . . . 5406 2
18 . 2 2 1 1 HEC CMB C 13 15.285 0.1 . 1 . . . . . . . . 5406 2
19 . 2 2 1 1 HEC HHC H 1 9.334 0.01 . 1 . . . . . . . . 5406 2
20 . 2 2 1 1 HEC HAC H 1 6.394 0.01 . 1 . . . . . . . . 5406 2
21 . 2 2 1 1 HEC HBC H 1 2.594 0.01 . 1 . . . . . . . . 5406 2
22 . 2 2 1 1 HEC HMC H 1 3.861 0.01 . 1 . . . . . . . . 5406 2
23 . 2 2 1 1 HEC CHC C 13 99.366 0.1 . 1 . . . . . . . . 5406 2
24 . 2 2 1 1 HEC CAC C 13 39.69 0.1 . 1 . . . . . . . . 5406 2
25 . 2 2 1 1 HEC CBC C 13 22.395 0.1 . 1 . . . . . . . . 5406 2
26 . 2 2 1 1 HEC CMC C 13 15.108 0.1 . 1 . . . . . . . . 5406 2
27 . 2 2 1 1 HEC HHD H 1 9.639 0.01 . 1 . . . . . . . . 5406 2
28 . 2 2 1 1 HEC HAD1 H 1 4.444 0.01 . 2 . . . . . . . . 5406 2
29 . 2 2 1 1 HEC HAD2 H 1 4.213 0.01 . 2 . . . . . . . . 5406 2
30 . 2 2 1 1 HEC HBD1 H 1 4.239 0.01 . 2 . . . . . . . . 5406 2
31 . 2 2 1 1 HEC HBD2 H 1 3.947 0.01 . 2 . . . . . . . . 5406 2
32 . 2 2 1 1 HEC HMD H 1 3.51 0.01 . 1 . . . . . . . . 5406 2
33 . 2 2 1 1 HEC CHD C 13 99.285 0.1 . 1 . . . . . . . . 5406 2
34 . 2 2 1 1 HEC CAD C 13 24.576 0.1 . 1 . . . . . . . . 5406 2
35 . 2 2 1 1 HEC CBD C 13 44.055 0.1 . 1 . . . . . . . . 5406 2
36 . 2 2 1 1 HEC CMD C 13 15.055 0.1 . 1 . . . . . . . . 5406 2
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save_