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 442
_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 . 442 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 6 6 TYR HA H 1 4.56 . . 1 . . . . . . . . 442 1
2 . 1 1 6 6 TYR HB2 H 1 3.07 . . 2 . . . . . . . . 442 1
3 . 1 1 6 6 TYR HB3 H 1 2.94 . . 2 . . . . . . . . 442 1
4 . 1 1 6 6 TYR HD1 H 1 7.12 . . 1 . . . . . . . . 442 1
5 . 1 1 6 6 TYR HD2 H 1 7.12 . . 1 . . . . . . . . 442 1
6 . 1 1 6 6 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 442 1
7 . 1 1 6 6 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 442 1
8 . 1 1 15 15 HIS HA H 1 4.62 . . 1 . . . . . . . . 442 1
9 . 1 1 15 15 HIS HB2 H 1 3.22 . . 2 . . . . . . . . 442 1
10 . 1 1 15 15 HIS HB3 H 1 3.38 . . 2 . . . . . . . . 442 1
11 . 1 1 15 15 HIS HD2 H 1 7.09 . . 1 . . . . . . . . 442 1
12 . 1 1 15 15 HIS HE1 H 1 7.88 . . 1 . . . . . . . . 442 1
13 . 1 1 18 18 TRP HA H 1 4.77 . . 1 . . . . . . . . 442 1
14 . 1 1 18 18 TRP HB2 H 1 3.46 . . 2 . . . . . . . . 442 1
15 . 1 1 18 18 TRP HB3 H 1 3.61 . . 2 . . . . . . . . 442 1
16 . 1 1 18 18 TRP HD1 H 1 7.08 . . 1 . . . . . . . . 442 1
17 . 1 1 18 18 TRP HE3 H 1 7.78 . . 1 . . . . . . . . 442 1
18 . 1 1 18 18 TRP HZ2 H 1 7.33 . . 1 . . . . . . . . 442 1
19 . 1 1 18 18 TRP HZ3 H 1 6.94 . . 1 . . . . . . . . 442 1
20 . 1 1 18 18 TRP HH2 H 1 7.06 . . 1 . . . . . . . . 442 1
21 . 1 1 21 21 PHE HA H 1 4.04 . . 1 . . . . . . . . 442 1
22 . 1 1 21 21 PHE HB2 H 1 3.15 . . 2 . . . . . . . . 442 1
23 . 1 1 21 21 PHE HB3 H 1 3.5 . . 2 . . . . . . . . 442 1
24 . 1 1 21 21 PHE HD1 H 1 7 . . 1 . . . . . . . . 442 1
25 . 1 1 21 21 PHE HD2 H 1 7 . . 1 . . . . . . . . 442 1
26 . 1 1 21 21 PHE HE1 H 1 7.14 . . 1 . . . . . . . . 442 1
27 . 1 1 21 21 PHE HE2 H 1 7.14 . . 1 . . . . . . . . 442 1
28 . 1 1 21 21 PHE HZ H 1 7.14 . . 1 . . . . . . . . 442 1
29 . 1 1 22 22 VAL HA H 1 2.9 . . 1 . . . . . . . . 442 1
30 . 1 1 29 29 TYR HA H 1 4.72 . . 1 . . . . . . . . 442 1
31 . 1 1 29 29 TYR HB2 H 1 2.67 . . 2 . . . . . . . . 442 1
32 . 1 1 29 29 TYR HB3 H 1 2.7 . . 2 . . . . . . . . 442 1
33 . 1 1 29 29 TYR HD1 H 1 6.39 . . 1 . . . . . . . . 442 1
34 . 1 1 29 29 TYR HD2 H 1 6.39 . . 1 . . . . . . . . 442 1
35 . 1 1 29 29 TYR HE1 H 1 6.28 . . 1 . . . . . . . . 442 1
36 . 1 1 29 29 TYR HE2 H 1 6.28 . . 1 . . . . . . . . 442 1
37 . 1 1 34 34 HIS HD2 H 1 6.35 . . 1 . . . . . . . . 442 1
38 . 1 1 34 34 HIS HE1 H 1 8.01 . . 1 . . . . . . . . 442 1
39 . 1 1 98 98 TRP HA H 1 4.32 . . 1 . . . . . . . . 442 1
40 . 1 1 98 98 TRP HB2 H 1 3.35 . . 2 . . . . . . . . 442 1
41 . 1 1 98 98 TRP HB3 H 1 3.45 . . 2 . . . . . . . . 442 1
42 . 1 1 98 98 TRP HD1 H 1 7.23 . . 1 . . . . . . . . 442 1
43 . 1 1 98 98 TRP HE3 H 1 7.41 . . 1 . . . . . . . . 442 1
44 . 1 1 98 98 TRP HZ2 H 1 7.04 . . 1 . . . . . . . . 442 1
45 . 1 1 98 98 TRP HZ3 H 1 6.67 . . 1 . . . . . . . . 442 1
46 . 1 1 98 98 TRP HH2 H 1 7.13 . . 1 . . . . . . . . 442 1
47 . 1 1 102 102 VAL HA H 1 3.73 . . 1 . . . . . . . . 442 1
stop_
save_