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 4169
_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_one
_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 . 4169 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 H H 1 9.70 . . 1 . . . . . . . . 4169 1
2 . 1 1 1 1 SIN HA H 1 2.66 . . 1 . . . . . . . . 4169 1
3 . 1 1 1 1 SIN H21 H 1 2.59 . . 2 . . . . . . . . 4169 1
4 . 1 1 1 1 SIN H31 H 1 7.59 . . 4 . . . . . . . . 4169 1
5 . 1 1 1 1 SIN H32 H 1 6.82 . . 4 . . . . . . . . 4169 1
6 . 1 1 2 2 ASP H H 1 8.70 . . 1 . . . . . . . . 4169 1
7 . 1 1 2 2 ASP HA H 1 4.63 . . 1 . . . . . . . . 4169 1
8 . 1 1 2 2 ASP HB2 H 1 2.83 . . 2 . . . . . . . . 4169 1
9 . 1 1 2 2 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 4169 1
10 . 1 1 3 3 ORN H H 1 8.52 . . 1 . . . . . . . . 4169 1
11 . 1 1 3 3 ORN HA H 1 4.16 . . 1 . . . . . . . . 4169 1
12 . 1 1 3 3 ORN HB2 H 1 1.81 . . 2 . . . . . . . . 4169 1
13 . 1 1 3 3 ORN HB3 H 1 1.72 . . 2 . . . . . . . . 4169 1
14 . 1 1 3 3 ORN HG2 H 1 1.65 . . 2 . . . . . . . . 4169 1
15 . 1 1 3 3 ORN HD2 H 1 3.04 . . 2 . . . . . . . . 4169 1
16 . 1 1 3 3 ORN HD3 H 1 2.92 . . 2 . . . . . . . . 4169 1
17 . 1 1 3 3 ORN HNE2 H 1 7.66 . . . . . . . . . . . 4169 1
18 . 1 1 3 3 ORN HNE3 H 1 7.66 . . . . . . . . . . . 4169 1
19 . 1 1 4 4 BHD H H 1 9.22 . . 1 . . . . . . . . 4169 1
20 . 1 1 4 4 BHD HA H 1 5.16 . . 1 . . . . . . . . 4169 1
21 . 1 1 4 4 BHD HB2 H 1 4.78 . . 2 . . . . . . . . 4169 1
22 . 1 1 5 5 DAB H H 1 9.56 . . 1 . . . . . . . . 4169 1
23 . 1 1 5 5 DAB HA H 1 4.19 . . 1 . . . . . . . . 4169 1
24 . 1 1 5 5 DAB HB2 H 1 1.89 . . 2 . . . . . . . . 4169 1
25 . 1 1 5 5 DAB HB3 H 1 1.81 . . 2 . . . . . . . . 4169 1
26 . 1 1 5 5 DAB HG2 H 1 2.91 . . 2 . . . . . . . . 4169 1
27 . 1 1 5 5 DAB HG3 H 1 1.71 . . 2 . . . . . . . . 4169 1
28 . 1 1 5 5 DAB HD2 H 1 8.12 . . 4 . . . . . . . . 4169 1
29 . 1 1 5 5 DAB HD3 H 1 8.12 . . 4 . . . . . . . . 4169 1
30 . 1 1 6 6 GLY H H 1 10.44 . . 1 . . . . . . . . 4169 1
31 . 1 1 6 6 GLY HA2 H 1 4.63 . . 2 . . . . . . . . 4169 1
32 . 1 1 6 6 GLY HA3 H 1 4.04 . . 2 . . . . . . . . 4169 1
33 . 1 1 7 7 SER H H 1 8.30 . . 1 . . . . . . . . 4169 1
34 . 1 1 7 7 SER HA H 1 4.28 . . 1 . . . . . . . . 4169 1
35 . 1 1 7 7 SER HB2 H 1 3.79 . . 2 . . . . . . . . 4169 1
36 . 1 1 8 8 ONH H H 1 8.45 . . 1 . . . . . . . . 4169 1
37 . 1 1 8 8 ONH HA H 1 4.68 . . 1 . . . . . . . . 4169 1
38 . 1 1 8 8 ONH HB2 H 1 2.06 . . 2 . . . . . . . . 4169 1
39 . 1 1 8 8 ONH HB3 H 1 1.65 . . 2 . . . . . . . . 4169 1
40 . 1 1 8 8 ONH HG2 H 1 1.90 . . 2 . . . . . . . . 4169 1
41 . 1 1 8 8 ONH HG3 H 1 1.84 . . 2 . . . . . . . . 4169 1
42 . 1 1 8 8 ONH HD2 H 1 3.47 . . 2 . . . . . . . . 4169 1
43 . 1 1 9 9 CHR H4 H 1 7.67 . . . . . . . . . . . 4169 1
44 . 1 1 9 9 CHR HO5 H 1 6.73 . . . . . . . . . . . 4169 1
45 . 1 1 9 9 CHR H8 H 1 6.46 . . . . . . . . . . . 4169 1
46 . 1 1 9 9 CHR H11 H 1 5.58 . . . . . . . . . . . 4169 1
47 . 1 1 9 9 CHR HN21 H 1 2.61 . . 2 . . . . . . . . 4169 1
48 . 1 1 9 9 CHR HN22 H 1 2.20 . . 2 . . . . . . . . 4169 1
49 . 1 1 9 9 CHR HN31 H 1 3.51 . . 2 . . . . . . . . 4169 1
50 . 1 1 9 9 CHR HN32 H 1 3.16 . . 2 . . . . . . . . 4169 1
51 . 1 1 9 9 CHR HO6 H 1 8.03 . . . . . . . . . . . 4169 1
stop_
save_