Content for NMR-STAR saveframe, "Ligand_Chemical_Shifts"
save_Ligand_Chemical_Shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode Ligand_Chemical_Shifts
_Assigned_chem_shift_list.Entry_ID 5627
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $Normal_conditions
_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 . 5627 2
. . 2 $sample_2 . 5627 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 3 1 1 TUX C1G C 13 71.67 0.2 . 1 . . . . . . . . 5627 2
2 . 2 3 1 1 TUX H1G1 H 1 4.07 0.02 . 1 . . . . . . . . 5627 2
3 . 2 3 1 1 TUX H2G2 H 1 3.30 0.02 . 1 . . . . . . . . 5627 2
4 . 2 3 1 1 TUX C2G C 13 41.14 0.2 . 1 . . . . . . . . 5627 2
5 . 2 3 1 1 TUX H2G H 1 2.16 0.02 . 1 . . . . . . . . 5627 2
6 . 2 3 1 1 TUX C3G C 13 80.20 0.2 . 1 . . . . . . . . 5627 2
7 . 2 3 1 1 TUX H3G H 1 4.84 0.02 . 1 . . . . . . . . 5627 2
8 . 2 3 1 1 TUX C4G C 13 71.48 0.2 . 1 . . . . . . . . 5627 2
9 . 2 3 1 1 TUX H4G H 1 3.25 0.02 . 1 . . . . . . . . 5627 2
10 . 2 3 1 1 TUX C5G C 13 83.75 0.2 . 1 . . . . . . . . 5627 2
11 . 2 3 1 1 TUX H5G H 1 3.40 0.02 . 1 . . . . . . . . 5627 2
12 . 2 3 1 1 TUX C6G C 13 64.90 0.2 . 1 . . . . . . . . 5627 2
13 . 2 3 1 1 TUX H6G1 H 1 4.09 0.02 . 1 . . . . . . . . 5627 2
14 . 2 3 1 1 TUX H6G2 H 1 3.44 0.02 . 1 . . . . . . . . 5627 2
15 . 2 3 1 1 TUX HZH2 H 1 2.41 0.02 . 2 . . . . . . . . 5627 2
16 . 2 3 1 1 TUX HZH3 H 1 2.76 0.02 . 2 . . . . . . . . 5627 2
17 . 2 3 1 1 TUX H2A2 H 1 2.19 0.02 . 2 . . . . . . . . 5627 2
18 . 2 3 1 1 TUX H2A3 H 1 2.19 0.02 . 2 . . . . . . . . 5627 2
19 . 2 3 1 1 TUX H3A2 H 1 1.43 0.02 . 2 . . . . . . . . 5627 2
20 . 2 3 1 1 TUX H3A3 H 1 1.43 0.02 . 2 . . . . . . . . 5627 2
21 . 2 3 1 1 TUX H42 H 1 1.30 0.02 . 2 . . . . . . . . 5627 2
22 . 2 3 1 1 TUX H4A3 H 1 1.30 0.02 . 2 . . . . . . . . 5627 2
23 . 2 3 1 1 TUX H5A2 H 1 1.18 0.02 . 2 . . . . . . . . 5627 2
24 . 2 3 1 1 TUX H5A3 H 1 1.18 0.02 . 2 . . . . . . . . 5627 2
25 . 2 3 1 1 TUX H6A2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
26 . 2 3 1 1 TUX H6A3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
27 . 2 3 1 1 TUX H7A2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
28 . 2 3 1 1 TUX H7A3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
29 . 2 3 1 1 TUX H8A2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
30 . 2 3 1 1 TUX H8A3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
31 . 2 3 1 1 TUX H9A2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
32 . 2 3 1 1 TUX H9A3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
33 . 2 3 1 1 TUX HAA2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
34 . 2 3 1 1 TUX HAA3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
35 . 2 3 1 1 TUX HBA2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
36 . 2 3 1 1 TUX HBA3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
37 . 2 3 1 1 TUX HCA2 H 1 0.88 0.02 . 2 . . . . . . . . 5627 2
38 . 2 3 1 1 TUX HCA3 H 1 0.88 0.02 . 2 . . . . . . . . 5627 2
39 . 2 3 1 1 TUX HDA2 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
40 . 2 3 1 1 TUX HDA3 H 1 1.10 0.02 . 2 . . . . . . . . 5627 2
41 . 2 3 1 1 TUX HEA1 H 1 0.64 0.02 . 2 . . . . . . . . 5627 2
42 . 2 3 1 1 TUX HEA2 H 1 0.64 0.02 . 2 . . . . . . . . 5627 2
43 . 2 3 1 1 TUX HEA3 H 1 0.64 0.02 . 2 . . . . . . . . 5627 2
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save_