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 2446
_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 . 2446 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 43 43 THR HA H 1 5.14 . . 1 . . . . . . . . 2446 1
2 . 1 1 43 43 THR HB H 1 3.79 . . 1 . . . . . . . . 2446 1
3 . 1 1 43 43 THR HG21 H 1 1.06 . . 1 . . . . . . . . 2446 1
4 . 1 1 43 43 THR HG22 H 1 1.06 . . 1 . . . . . . . . 2446 1
5 . 1 1 43 43 THR HG23 H 1 1.06 . . 1 . . . . . . . . 2446 1
6 . 1 1 44 44 ASN H H 1 8.16 . . 1 . . . . . . . . 2446 1
7 . 1 1 44 44 ASN HA H 1 5.04 . . 1 . . . . . . . . 2446 1
8 . 1 1 44 44 ASN HB2 H 1 2.74 . . 2 . . . . . . . . 2446 1
9 . 1 1 44 44 ASN HB3 H 1 2.99 . . 2 . . . . . . . . 2446 1
10 . 1 1 51 51 THR H H 1 9.04 . . 1 . . . . . . . . 2446 1
11 . 1 1 51 51 THR HA H 1 4.9 . . 1 . . . . . . . . 2446 1
12 . 1 1 51 51 THR HB H 1 3.75 . . 1 . . . . . . . . 2446 1
13 . 1 1 51 51 THR HG21 H 1 .33 . . 1 . . . . . . . . 2446 1
14 . 1 1 51 51 THR HG22 H 1 .33 . . 1 . . . . . . . . 2446 1
15 . 1 1 51 51 THR HG23 H 1 .33 . . 1 . . . . . . . . 2446 1
16 . 1 1 52 52 ASP H H 1 8.82 . . 1 . . . . . . . . 2446 1
17 . 1 1 52 52 ASP HA H 1 5.22 . . 1 . . . . . . . . 2446 1
18 . 1 1 52 52 ASP HB2 H 1 2.02 . . 2 . . . . . . . . 2446 1
19 . 1 1 52 52 ASP HB3 H 1 2.63 . . 2 . . . . . . . . 2446 1
20 . 1 1 53 53 TYR H H 1 9.05 . . 1 . . . . . . . . 2446 1
21 . 1 1 53 53 TYR HA H 1 4.77 . . 1 . . . . . . . . 2446 1
22 . 1 1 53 53 TYR HB2 H 1 2.95 . . 2 . . . . . . . . 2446 1
23 . 1 1 53 53 TYR HB3 H 1 2.67 . . 2 . . . . . . . . 2446 1
24 . 1 1 59 59 ASN HA H 1 5.66 . . 1 . . . . . . . . 2446 1
25 . 1 1 59 59 ASN HB2 H 1 3.03 . . 2 . . . . . . . . 2446 1
26 . 1 1 59 59 ASN HB3 H 1 3.32 . . 2 . . . . . . . . 2446 1
27 . 1 1 60 60 SER H H 1 9.2 . . 1 . . . . . . . . 2446 1
28 . 1 1 60 60 SER HA H 1 5.18 . . 1 . . . . . . . . 2446 1
29 . 1 1 60 60 SER HB2 H 1 4.4 . . 1 . . . . . . . . 2446 1
30 . 1 1 60 60 SER HB3 H 1 4.4 . . 1 . . . . . . . . 2446 1
31 . 1 1 63 63 TRP HA H 1 4.97 . . 1 . . . . . . . . 2446 1
32 . 1 1 63 63 TRP HB2 H 1 3.5 . . 1 . . . . . . . . 2446 1
33 . 1 1 63 63 TRP HB3 H 1 3.5 . . 1 . . . . . . . . 2446 1
34 . 1 1 64 64 CYS H H 1 7.62 . . 1 . . . . . . . . 2446 1
35 . 1 1 64 64 CYS HA H 1 5.82 . . 1 . . . . . . . . 2446 1
36 . 1 1 64 64 CYS HB2 H 1 3.05 . . 2 . . . . . . . . 2446 1
37 . 1 1 64 64 CYS HB3 H 1 2.53 . . 2 . . . . . . . . 2446 1
38 . 1 1 65 65 ASN H H 1 8.25 . . 1 . . . . . . . . 2446 1
39 . 1 1 65 65 ASN HA H 1 5.52 . . 1 . . . . . . . . 2446 1
40 . 1 1 65 65 ASN HB2 H 1 2.46 . . 2 . . . . . . . . 2446 1
41 . 1 1 65 65 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 2446 1
stop_
save_