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 127
_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 . 127 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 4 4 VAL H H 1 8.39 . . 1 . . . . . . . . 127 1
2 . 1 1 4 4 VAL HA H 1 4.34 . . 1 . . . . . . . . 127 1
3 . 1 1 4 4 VAL HB H 1 2.14 . . 1 . . . . . . . . 127 1
4 . 1 1 4 4 VAL HG11 H 1 1.16 . . 2 . . . . . . . . 127 1
5 . 1 1 4 4 VAL HG12 H 1 1.16 . . 2 . . . . . . . . 127 1
6 . 1 1 4 4 VAL HG13 H 1 1.16 . . 2 . . . . . . . . 127 1
7 . 1 1 4 4 VAL HG21 H 1 1.12 . . 2 . . . . . . . . 127 1
8 . 1 1 4 4 VAL HG22 H 1 1.12 . . 2 . . . . . . . . 127 1
9 . 1 1 4 4 VAL HG23 H 1 1.12 . . 2 . . . . . . . . 127 1
10 . 1 1 5 5 THR H H 1 9.26 . . 1 . . . . . . . . 127 1
11 . 1 1 5 5 THR HA H 1 5.12 . . 1 . . . . . . . . 127 1
12 . 1 1 5 5 THR HB H 1 5.02 . . 1 . . . . . . . . 127 1
13 . 1 1 5 5 THR HG21 H 1 1.42 . . 1 . . . . . . . . 127 1
14 . 1 1 5 5 THR HG22 H 1 1.42 . . 1 . . . . . . . . 127 1
15 . 1 1 5 5 THR HG23 H 1 1.42 . . 1 . . . . . . . . 127 1
16 . 1 1 6 6 LEU H H 1 9.12 . . 1 . . . . . . . . 127 1
17 . 1 1 6 6 LEU HA H 1 3.74 . . 1 . . . . . . . . 127 1
18 . 1 1 6 6 LEU HB2 H 1 1.16 . . 2 . . . . . . . . 127 1
19 . 1 1 6 6 LEU HB3 H 1 1.8 . . 2 . . . . . . . . 127 1
20 . 1 1 6 6 LEU HG H 1 1.73 . . 1 . . . . . . . . 127 1
21 . 1 1 6 6 LEU HD11 H 1 .3 . . 2 . . . . . . . . 127 1
22 . 1 1 6 6 LEU HD12 H 1 .3 . . 2 . . . . . . . . 127 1
23 . 1 1 6 6 LEU HD13 H 1 .3 . . 2 . . . . . . . . 127 1
24 . 1 1 6 6 LEU HD21 H 1 .77 . . 2 . . . . . . . . 127 1
25 . 1 1 6 6 LEU HD22 H 1 .77 . . 2 . . . . . . . . 127 1
26 . 1 1 6 6 LEU HD23 H 1 .77 . . 2 . . . . . . . . 127 1
27 . 1 1 14 14 GLY H H 1 7.98 . . 1 . . . . . . . . 127 1
28 . 1 1 14 14 GLY HA2 H 1 3.94 . . 1 . . . . . . . . 127 1
29 . 1 1 14 14 GLY HA3 H 1 3.94 . . 1 . . . . . . . . 127 1
30 . 1 1 21 21 SER H H 1 8.24 . . 1 . . . . . . . . 127 1
31 . 1 1 21 21 SER HA H 1 3.79 . . 1 . . . . . . . . 127 1
32 . 1 1 21 21 SER HB2 H 1 3.56 . . 2 . . . . . . . . 127 1
33 . 1 1 21 21 SER HB3 H 1 3.66 . . 2 . . . . . . . . 127 1
34 . 1 1 26 26 GLN H H 1 8.13 . . 1 . . . . . . . . 127 1
35 . 1 1 26 26 GLN HA H 1 4.23 . . 1 . . . . . . . . 127 1
36 . 1 1 39 39 GLU H H 1 8.9 . . 1 . . . . . . . . 127 1
37 . 1 1 39 39 GLU HA H 1 4.14 . . 1 . . . . . . . . 127 1
38 . 1 1 40 40 ALA H H 1 8.43 . . 1 . . . . . . . . 127 1
39 . 1 1 40 40 ALA HA H 1 4.27 . . 1 . . . . . . . . 127 1
40 . 1 1 42 42 MET H H 1 8.34 . . 1 . . . . . . . . 127 1
41 . 1 1 42 42 MET HA H 1 3.75 . . 1 . . . . . . . . 127 1
42 . 1 1 44 44 GLU H H 1 8.28 . . 1 . . . . . . . . 127 1
43 . 1 1 44 44 GLU HA H 1 4.03 . . 1 . . . . . . . . 127 1
44 . 1 1 47 47 TYR H H 1 8.43 . . 1 . . . . . . . . 127 1
45 . 1 1 47 47 TYR HA H 1 4.09 . . 1 . . . . . . . . 127 1
46 . 1 1 47 47 TYR HB2 H 1 2.56 . . 2 . . . . . . . . 127 1
47 . 1 1 47 47 TYR HB3 H 1 2.66 . . 2 . . . . . . . . 127 1
48 . 1 1 47 47 TYR HD1 H 1 6.75 . . 1 . . . . . . . . 127 1
49 . 1 1 47 47 TYR HD2 H 1 6.75 . . 1 . . . . . . . . 127 1
50 . 1 1 47 47 TYR HE1 H 1 6.62 . . 1 . . . . . . . . 127 1
51 . 1 1 47 47 TYR HE2 H 1 6.62 . . 1 . . . . . . . . 127 1
52 . 1 1 51 51 ARG H H 1 7.95 . . 1 . . . . . . . . 127 1
53 . 1 1 51 51 ARG HA H 1 4.22 . . 1 . . . . . . . . 127 1
stop_
save_