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 1669
_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 . 1669 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 2 2 VAL HA H 1 5.02 . . 1 . . . . . . . . 1669 1
2 . 1 1 2 2 VAL HB H 1 1.9 . . 1 . . . . . . . . 1669 1
3 . 1 1 2 2 VAL HG11 H 1 .88 . . 2 . . . . . . . . 1669 1
4 . 1 1 2 2 VAL HG12 H 1 .88 . . 2 . . . . . . . . 1669 1
5 . 1 1 2 2 VAL HG13 H 1 .88 . . 2 . . . . . . . . 1669 1
6 . 1 1 2 2 VAL HG21 H 1 .97 . . 2 . . . . . . . . 1669 1
7 . 1 1 2 2 VAL HG22 H 1 .97 . . 2 . . . . . . . . 1669 1
8 . 1 1 2 2 VAL HG23 H 1 .97 . . 2 . . . . . . . . 1669 1
9 . 1 1 28 28 TRP HA H 1 3.89 . . 1 . . . . . . . . 1669 1
10 . 1 1 28 28 TRP HB2 H 1 2.99 . . 2 . . . . . . . . 1669 1
11 . 1 1 28 28 TRP HB3 H 1 3.3 . . 2 . . . . . . . . 1669 1
12 . 1 1 28 28 TRP HD1 H 1 7.25 . . 1 . . . . . . . . 1669 1
13 . 1 1 28 28 TRP HE1 H 1 9.6 . . 1 . . . . . . . . 1669 1
14 . 1 1 28 28 TRP HE3 H 1 6.66 . . 1 . . . . . . . . 1669 1
15 . 1 1 28 28 TRP HZ2 H 1 7.5 . . 1 . . . . . . . . 1669 1
16 . 1 1 28 28 TRP HZ3 H 1 6 . . 1 . . . . . . . . 1669 1
17 . 1 1 28 28 TRP HH2 H 1 6.68 . . 1 . . . . . . . . 1669 1
18 . 1 1 39 39 ASN H H 1 7.25 . . 1 . . . . . . . . 1669 1
19 . 1 1 39 39 ASN HA H 1 5.43 . . 1 . . . . . . . . 1669 1
20 . 1 1 39 39 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 1669 1
21 . 1 1 39 39 ASN HB3 H 1 3.4 . . 2 . . . . . . . . 1669 1
22 . 1 1 40 40 THR H H 1 9.3 . . 1 . . . . . . . . 1669 1
23 . 1 1 108 108 TRP HD1 H 1 7.14 . . 1 . . . . . . . . 1669 1
24 . 1 1 108 108 TRP HE1 H 1 10.69 . . 1 . . . . . . . . 1669 1
25 . 1 1 108 108 TRP HE3 H 1 7.49 . . 1 . . . . . . . . 1669 1
26 . 1 1 108 108 TRP HZ2 H 1 6.82 . . 1 . . . . . . . . 1669 1
27 . 1 1 108 108 TRP HZ3 H 1 6.3 . . 1 . . . . . . . . 1669 1
28 . 1 1 108 108 TRP HH2 H 1 7.23 . . 1 . . . . . . . . 1669 1
stop_
save_