Content for NMR-STAR saveframe, "assigned_chemical_shifts_G4R"
save_assigned_chemical_shifts_G4R
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_G4R
_Assigned_chem_shift_list.Entry_ID 4164
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one
_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_one . 4164 1
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 . 1 1 1 1 SIN HA H 1 2.68 . . 1 . . . . . . . . 4164 1
2 . 1 1 1 1 SIN H21 H 1 2.59 . . 2 . . . . . . . . 4164 1
3 . 1 1 2 2 ASP H H 1 8.85 . . 1 . . . . . . . . 4164 1
4 . 1 1 2 2 ASP HA H 1 4.38 . . 1 . . . . . . . . 4164 1
5 . 1 1 2 2 ASP HB2 H 1 2.73 . . 2 . . . . . . . . 4164 1
6 . 1 1 2 2 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4164 1
7 . 1 1 3 3 ORN H H 1 8.37 . . 1 . . . . . . . . 4164 1
8 . 1 1 3 3 ORN HA H 1 4.15 . . 1 . . . . . . . . 4164 1
9 . 1 1 3 3 ORN HB2 H 1 1.58 . . 2 . . . . . . . . 4164 1
10 . 1 1 3 3 ORN HB3 H 1 1.54 . . 2 . . . . . . . . 4164 1
11 . 1 1 3 3 ORN HG2 H 1 1.46 . . 2 . . . . . . . . 4164 1
12 . 1 1 3 3 ORN HD2 H 1 2.83 . . 2 . . . . . . . . 4164 1
13 . 1 1 4 4 BHD H H 1 8.82 . . 1 . . . . . . . . 4164 1
14 . 1 1 4 4 BHD HA H 1 5.06 . . 1 . . . . . . . . 4164 1
15 . 1 1 4 4 BHD HB H 1 4.42 . . 2 . . . . . . . . 4164 1
16 . 1 1 5 5 DAB HA H 1 4.16 . . 1 . . . . . . . . 4164 1
17 . 1 1 5 5 DAB HB2 H 1 2.03 . . 2 . . . . . . . . 4164 1
18 . 1 1 5 5 DAB HB3 H 1 1.91 . . 2 . . . . . . . . 4164 1
19 . 1 1 5 5 DAB HG2 H 1 3.36 . . 2 . . . . . . . . 4164 1
20 . 1 1 5 5 DAB HG3 H 1 3.02 . . 2 . . . . . . . . 4164 1
21 . 1 1 6 6 GLY H H 1 8.32 . . 1 . . . . . . . . 4164 1
22 . 1 1 6 6 GLY HA2 H 1 3.87 . . 2 . . . . . . . . 4164 1
23 . 1 1 7 7 SER H H 1 8.38 . . 1 . . . . . . . . 4164 1
24 . 1 1 7 7 SER HA H 1 4.32 . . 1 . . . . . . . . 4164 1
25 . 1 1 7 7 SER HB2 H 1 3.74 . . 2 . . . . . . . . 4164 1
26 . 1 1 8 8 ONH H H 1 8.45 . . 1 . . . . . . . . 4164 1
27 . 1 1 8 8 ONH HA H 1 4.32 . . 1 . . . . . . . . 4164 1
28 . 1 1 8 8 ONH HB2 H 1 1.87 . . 2 . . . . . . . . 4164 1
29 . 1 1 8 8 ONH HB3 H 1 1.66 . . 2 . . . . . . . . 4164 1
30 . 1 1 8 8 ONH HG2 H 1 1.82 . . 2 . . . . . . . . 4164 1
31 . 1 1 8 8 ONH HG3 H 1 1.77 . . 2 . . . . . . . . 4164 1
32 . 1 1 8 8 ONH HD2 H 1 3.54 . . 2 . . . . . . . . 4164 1
33 . 1 1 8 8 ONH HD3 H 1 3.48 . . 2 . . . . . . . . 4164 1
34 . 1 1 9 9 CHR H4 H 1 7.78 . . . . . . . . . . . 4164 1
35 . 1 1 9 9 CHR HO5 H 1 7.05 . . . . . . . . . . . 4164 1
36 . 1 1 9 9 CHR H8 H 1 6.77 . . . . . . . . . . . 4164 1
37 . 1 1 9 9 CHR H11 H 1 5.49 . . . . . . . . . . . 4164 1
38 . 1 1 9 9 CHR HN21 H 1 2.59 . . 2 . . . . . . . . 4164 1
39 . 1 1 9 9 CHR HN22 H 1 2.26 . . 2 . . . . . . . . 4164 1
40 . 1 1 9 9 CHR HN31 H 1 3.55 . . 2 . . . . . . . . 4164 1
41 . 1 1 9 9 CHR HN32 H 1 3.27 . . 2 . . . . . . . . 4164 1
42 . 1 1 9 9 CHR HO6 H 1 8.52 . . . . . . . . . . . 4164 1
stop_
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