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 1662
_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 . 1662 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 20 20 THR HA H 1 5 0.02 . 1 . . . . . . . . 1662 1
2 . 1 1 20 20 THR HB H 1 3.84 0.02 . 1 . . . . . . . . 1662 1
3 . 1 1 20 20 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 1662 1
4 . 1 1 20 20 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 1662 1
5 . 1 1 20 20 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 1662 1
6 . 1 1 21 21 THR HA H 1 5 0.02 . 1 . . . . . . . . 1662 1
7 . 1 1 21 21 THR HB H 1 3.84 0.02 . 1 . . . . . . . . 1662 1
8 . 1 1 21 21 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 1662 1
9 . 1 1 21 21 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 1662 1
10 . 1 1 21 21 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 1662 1
11 . 1 1 23 23 GLY HA2 H 1 3.59 0.02 . 2 . . . . . . . . 1662 1
12 . 1 1 23 23 GLY HA3 H 1 4.56 0.02 . 2 . . . . . . . . 1662 1
13 . 1 1 25 25 VAL HA H 1 3.24 0.02 . 1 . . . . . . . . 1662 1
14 . 1 1 25 25 VAL HB H 1 1.93 0.02 . 1 . . . . . . . . 1662 1
15 . 1 1 25 25 VAL HG11 H 1 .91 0.02 . 2 . . . . . . . . 1662 1
16 . 1 1 25 25 VAL HG12 H 1 .91 0.02 . 2 . . . . . . . . 1662 1
17 . 1 1 25 25 VAL HG13 H 1 .91 0.02 . 2 . . . . . . . . 1662 1
18 . 1 1 25 25 VAL HG21 H 1 .99 0.02 . 2 . . . . . . . . 1662 1
19 . 1 1 25 25 VAL HG22 H 1 .99 0.02 . 2 . . . . . . . . 1662 1
20 . 1 1 25 25 VAL HG23 H 1 .99 0.02 . 2 . . . . . . . . 1662 1
21 . 1 1 26 26 GLY HA2 H 1 3.59 0.02 . 2 . . . . . . . . 1662 1
22 . 1 1 26 26 GLY HA3 H 1 4.56 0.02 . 2 . . . . . . . . 1662 1
23 . 1 1 59 59 PHE HD1 H 1 7.54 0.02 . 1 . . . . . . . . 1662 1
24 . 1 1 59 59 PHE HD2 H 1 7.54 0.02 . 1 . . . . . . . . 1662 1
25 . 1 1 59 59 PHE HZ H 1 6.96 0.02 . 1 . . . . . . . . 1662 1
26 . 1 1 62 62 HIS HD2 H 1 7.03 0.02 . 1 . . . . . . . . 1662 1
27 . 1 1 62 62 HIS HE1 H 1 7.84 0.02 . 1 . . . . . . . . 1662 1
28 . 1 1 64 64 TYR HD1 H 1 6.67 0.02 . 1 . . . . . . . . 1662 1
29 . 1 1 64 64 TYR HD2 H 1 6.67 0.02 . 1 . . . . . . . . 1662 1
30 . 1 1 64 64 TYR HE1 H 1 6.76 0.02 . 1 . . . . . . . . 1662 1
31 . 1 1 64 64 TYR HE2 H 1 6.76 0.02 . 1 . . . . . . . . 1662 1
32 . 1 1 82 82 TYR HD1 H 1 7.13 0.02 . 1 . . . . . . . . 1662 1
33 . 1 1 82 82 TYR HD2 H 1 7.13 0.02 . 1 . . . . . . . . 1662 1
34 . 1 1 82 82 TYR HE1 H 1 6.8 0.02 . 1 . . . . . . . . 1662 1
35 . 1 1 82 82 TYR HE2 H 1 6.8 0.02 . 1 . . . . . . . . 1662 1
36 . 1 1 104 104 THR HA H 1 5.46 0.02 . 1 . . . . . . . . 1662 1
37 . 1 1 104 104 THR HB H 1 3.77 0.02 . 1 . . . . . . . . 1662 1
38 . 1 1 104 104 THR HG21 H 1 1.01 0.02 . 1 . . . . . . . . 1662 1
39 . 1 1 104 104 THR HG22 H 1 1.01 0.02 . 1 . . . . . . . . 1662 1
40 . 1 1 104 104 THR HG23 H 1 1.01 0.02 . 1 . . . . . . . . 1662 1
41 . 1 1 112 112 ALA HA H 1 4.22 0.02 . 1 . . . . . . . . 1662 1
42 . 1 1 112 112 ALA HB1 H 1 1.34 0.02 . 1 . . . . . . . . 1662 1
43 . 1 1 112 112 ALA HB2 H 1 1.34 0.02 . 1 . . . . . . . . 1662 1
44 . 1 1 112 112 ALA HB3 H 1 1.34 0.02 . 1 . . . . . . . . 1662 1
45 . 1 1 114 114 ALA HA H 1 4.3 0.02 . 1 . . . . . . . . 1662 1
46 . 1 1 114 114 ALA HB1 H 1 1.4 0.02 . 1 . . . . . . . . 1662 1
47 . 1 1 114 114 ALA HB2 H 1 1.4 0.02 . 1 . . . . . . . . 1662 1
48 . 1 1 114 114 ALA HB3 H 1 1.4 0.02 . 1 . . . . . . . . 1662 1
49 . 1 1 118 118 ILE HA H 1 4.18 0.02 . 1 . . . . . . . . 1662 1
50 . 1 1 118 118 ILE HB H 1 1.93 0.02 . 1 . . . . . . . . 1662 1
51 . 1 1 118 118 ILE HG12 H 1 1.18 0.02 . 2 . . . . . . . . 1662 1
52 . 1 1 118 118 ILE HG13 H 1 1.46 0.02 . 2 . . . . . . . . 1662 1
53 . 1 1 118 118 ILE HG21 H 1 .99 0.02 . 1 . . . . . . . . 1662 1
54 . 1 1 118 118 ILE HG22 H 1 .99 0.02 . 1 . . . . . . . . 1662 1
55 . 1 1 118 118 ILE HG23 H 1 .99 0.02 . 1 . . . . . . . . 1662 1
56 . 1 1 118 118 ILE HD11 H 1 .85 0.02 . 1 . . . . . . . . 1662 1
57 . 1 1 118 118 ILE HD12 H 1 .85 0.02 . 1 . . . . . . . . 1662 1
58 . 1 1 118 118 ILE HD13 H 1 .85 0.02 . 1 . . . . . . . . 1662 1
59 . 1 1 120 120 VAL HA H 1 4.32 0.02 . 1 . . . . . . . . 1662 1
60 . 1 1 120 120 VAL HB H 1 1.66 0.02 . 1 . . . . . . . . 1662 1
61 . 1 1 120 120 VAL HG11 H 1 .88 0.02 . 2 . . . . . . . . 1662 1
62 . 1 1 120 120 VAL HG12 H 1 .88 0.02 . 2 . . . . . . . . 1662 1
63 . 1 1 120 120 VAL HG13 H 1 .88 0.02 . 2 . . . . . . . . 1662 1
64 . 1 1 120 120 VAL HG21 H 1 .95 0.02 . 2 . . . . . . . . 1662 1
65 . 1 1 120 120 VAL HG22 H 1 .95 0.02 . 2 . . . . . . . . 1662 1
66 . 1 1 120 120 VAL HG23 H 1 .95 0.02 . 2 . . . . . . . . 1662 1
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save_