Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1975
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_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 . 1975 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 12 12 MET CE C 13 16.71 0.03 . 1 . . . . . . . . 1975 1
2 . 1 1 15 15 HIS CG C 13 130.45 0.03 . 1 . . . . . . . . 1975 1
3 . 1 1 17 17 LEU CD2 C 13 19.72 0.03 . 1 . . . . . . . . 1975 1
4 . 1 1 23 23 TYR CG C 13 130.66 0.03 . 1 . . . . . . . . 1975 1
5 . 1 1 23 23 TYR CZ C 13 154.25 0.03 . 1 . . . . . . . . 1975 1
6 . 1 1 28 28 TRP CG C 13 108.57 0.03 . 1 . . . . . . . . 1975 1
7 . 1 1 55 55 ILE CG2 C 13 13.26 0.03 . 1 . . . . . . . . 1975 1
8 . 1 1 55 55 ILE CD1 C 13 13.26 0.03 . 1 . . . . . . . . 1975 1
9 . 1 1 56 56 LEU CD1 C 13 18.63 0.03 . 1 . . . . . . . . 1975 1
10 . 1 1 62 62 TRP CG C 13 110.14 0.03 . 1 . . . . . . . . 1975 1
11 . 1 1 62 62 TRP CD2 C 13 126.82 0.03 . 1 . . . . . . . . 1975 1
12 . 1 1 63 63 TRP CG C 13 110.53 0.03 . 1 . . . . . . . . 1975 1
13 . 1 1 63 63 TRP CD2 C 13 127.59 0.03 . 1 . . . . . . . . 1975 1
14 . 1 1 63 63 TRP CE2 C 13 138.75 0.03 . 1 . . . . . . . . 1975 1
15 . 1 1 75 75 LEU CD1 C 13 16.99 0.03 . 1 . . . . . . . . 1975 1
16 . 1 1 75 75 LEU CD2 C 13 16.99 0.03 . 1 . . . . . . . . 1975 1
17 . 1 1 78 78 ILE CG2 C 13 13.06 0.03 . 1 . . . . . . . . 1975 1
18 . 1 1 88 88 ILE CG2 C 13 15.42 0.03 . 1 . . . . . . . . 1975 1
19 . 1 1 88 88 ILE CD1 C 13 13.71 0.03 . 1 . . . . . . . . 1975 1
20 . 1 1 95 95 ALA CB C 13 16.99 0.03 . 1 . . . . . . . . 1975 1
21 . 1 1 98 98 ILE CG2 C 13 12.4 0.03 . 1 . . . . . . . . 1975 1
22 . 1 1 98 98 ILE CD1 C 13 14.26 0.03 . 1 . . . . . . . . 1975 1
23 . 1 1 99 99 VAL CG1 C 13 20.59 0.03 . 1 . . . . . . . . 1975 1
24 . 1 1 105 105 MET CE C 13 14.26 0.03 . 1 . . . . . . . . 1975 1
25 . 1 1 108 108 TRP CG C 13 112.59 0.03 . 1 . . . . . . . . 1975 1
26 . 1 1 108 108 TRP CE2 C 13 136.26 0.03 . 1 . . . . . . . . 1975 1
27 . 1 1 109 109 VAL CG1 C 13 19.2 0.03 . 1 . . . . . . . . 1975 1
28 . 1 1 110 110 ALA CB C 13 17.69 0.03 . 1 . . . . . . . . 1975 1
29 . 1 1 111 111 TRP CG C 13 108.57 0.03 . 1 . . . . . . . . 1975 1
30 . 1 1 111 111 TRP CD2 C 13 128.3 0.03 . 1 . . . . . . . . 1975 1
31 . 1 1 123 123 TRP CG C 13 111.71 0.03 . 1 . . . . . . . . 1975 1
32 . 1 1 123 123 TRP CD2 C 13 126.49 0.03 . 1 . . . . . . . . 1975 1
33 . 1 1 123 123 TRP CE2 C 13 137.86 0.03 . 1 . . . . . . . . 1975 1
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save_