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 25
_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 . 25 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 14 14 TRP HD1 H 1 7.31 . . 1 . . . . . . . . 25 1
2 . 1 1 14 14 TRP HE1 H 1 10.4 . . 1 . . . . . . . . 25 1
3 . 1 1 14 14 TRP HE3 H 1 7.28 . . 1 . . . . . . . . 25 1
4 . 1 1 14 14 TRP HZ2 H 1 7.54 . . 1 . . . . . . . . 25 1
5 . 1 1 14 14 TRP HZ3 H 1 6.95 . . 1 . . . . . . . . 25 1
6 . 1 1 14 14 TRP HH2 H 1 7 . . 1 . . . . . . . . 25 1
7 . 1 1 29 29 LEU HG H 1 .94 . . 1 . . . . . . . . 25 1
8 . 1 1 29 29 LEU HD11 H 1 .74 . . 2 . . . . . . . . 25 1
9 . 1 1 29 29 LEU HD12 H 1 .74 . . 2 . . . . . . . . 25 1
10 . 1 1 29 29 LEU HD13 H 1 .74 . . 2 . . . . . . . . 25 1
11 . 1 1 29 29 LEU HD21 H 1 .25 . . 2 . . . . . . . . 25 1
12 . 1 1 29 29 LEU HD22 H 1 .25 . . 2 . . . . . . . . 25 1
13 . 1 1 29 29 LEU HD23 H 1 .25 . . 2 . . . . . . . . 25 1
14 . 1 1 32 32 MET HE1 H 1 1.28 . . 1 . . . . . . . . 25 1
15 . 1 1 32 32 MET HE2 H 1 1.28 . . 1 . . . . . . . . 25 1
16 . 1 1 32 32 MET HE3 H 1 1.28 . . 1 . . . . . . . . 25 1
17 . 1 1 33 33 PHE HD1 H 1 7.03 . . 1 . . . . . . . . 25 1
18 . 1 1 33 33 PHE HD2 H 1 7.03 . . 1 . . . . . . . . 25 1
19 . 1 1 33 33 PHE HE1 H 1 6.4 . . 1 . . . . . . . . 25 1
20 . 1 1 33 33 PHE HE2 H 1 6.4 . . 1 . . . . . . . . 25 1
21 . 1 1 33 33 PHE HZ H 1 4.75 . . 1 . . . . . . . . 25 1
22 . 1 1 42 42 TYR HD1 H 1 7.78 . . 1 . . . . . . . . 25 1
23 . 1 1 42 42 TYR HD2 H 1 7.78 . . 1 . . . . . . . . 25 1
24 . 1 1 42 42 TYR HE1 H 1 7.19 . . 1 . . . . . . . . 25 1
25 . 1 1 42 42 TYR HE2 H 1 7.19 . . 1 . . . . . . . . 25 1
26 . 1 1 43 43 PHE HD1 H 1 6.24 . . 1 . . . . . . . . 25 1
27 . 1 1 43 43 PHE HD2 H 1 6.24 . . 1 . . . . . . . . 25 1
28 . 1 1 43 43 PHE HE1 H 1 6.01 . . 1 . . . . . . . . 25 1
29 . 1 1 43 43 PHE HE2 H 1 6.01 . . 1 . . . . . . . . 25 1
30 . 1 1 43 43 PHE HZ H 1 4.59 . . 1 . . . . . . . . 25 1
31 . 1 1 46 46 PHE HD1 H 1 6.82 . . 1 . . . . . . . . 25 1
32 . 1 1 46 46 PHE HD2 H 1 6.82 . . 1 . . . . . . . . 25 1
33 . 1 1 46 46 PHE HE1 H 1 6.93 . . 1 . . . . . . . . 25 1
34 . 1 1 46 46 PHE HE2 H 1 6.93 . . 1 . . . . . . . . 25 1
35 . 1 1 58 58 HIS HD1 H 1 4.61 . . 1 . . . . . . . . 25 1
36 . 1 1 58 58 HIS HD2 H 1 4.61 . . 1 . . . . . . . . 25 1
37 . 1 1 58 58 HIS HE1 H 1 8.21 . . 1 . . . . . . . . 25 1
38 . 1 1 58 58 HIS HE2 H 1 8.21 . . 1 . . . . . . . . 25 1
39 . 1 1 62 62 VAL H H 1 7.75 . . 1 . . . . . . . . 25 1
40 . 1 1 62 62 VAL HA H 1 3.67 . . 1 . . . . . . . . 25 1
41 . 1 1 62 62 VAL HB H 1 1.27 . . 1 . . . . . . . . 25 1
42 . 1 1 62 62 VAL HG11 H 1 1.73 . . 2 . . . . . . . . 25 1
43 . 1 1 62 62 VAL HG12 H 1 1.73 . . 2 . . . . . . . . 25 1
44 . 1 1 62 62 VAL HG13 H 1 1.73 . . 2 . . . . . . . . 25 1
45 . 1 1 62 62 VAL HG21 H 1 .16 . . 2 . . . . . . . . 25 1
46 . 1 1 62 62 VAL HG22 H 1 .16 . . 2 . . . . . . . . 25 1
47 . 1 1 62 62 VAL HG23 H 1 .16 . . 2 . . . . . . . . 25 1
48 . 1 1 65 65 ALA H H 1 8.34 . . 1 . . . . . . . . 25 1
49 . 1 1 65 65 ALA HA H 1 4.7 . . 1 . . . . . . . . 25 1
50 . 1 1 65 65 ALA HB1 H 1 2.44 . . 1 . . . . . . . . 25 1
51 . 1 1 65 65 ALA HB2 H 1 2.44 . . 1 . . . . . . . . 25 1
52 . 1 1 65 65 ALA HB3 H 1 2.44 . . 1 . . . . . . . . 25 1
53 . 1 1 76 76 MET HE1 H 1 2.07 . . 1 . . . . . . . . 25 1
54 . 1 1 76 76 MET HE2 H 1 2.07 . . 1 . . . . . . . . 25 1
55 . 1 1 76 76 MET HE3 H 1 2.07 . . 1 . . . . . . . . 25 1
56 . 1 1 83 83 LEU HG H 1 1.46 . . 1 . . . . . . . . 25 1
57 . 1 1 83 83 LEU HD11 H 1 1.15 . . 2 . . . . . . . . 25 1
58 . 1 1 83 83 LEU HD12 H 1 1.15 . . 2 . . . . . . . . 25 1
59 . 1 1 83 83 LEU HD13 H 1 1.15 . . 2 . . . . . . . . 25 1
60 . 1 1 83 83 LEU HD21 H 1 .8 . . 2 . . . . . . . . 25 1
61 . 1 1 83 83 LEU HD22 H 1 .8 . . 2 . . . . . . . . 25 1
62 . 1 1 83 83 LEU HD23 H 1 .8 . . 2 . . . . . . . . 25 1
63 . 1 1 87 87 HIS HD1 H 1 9.33 . . 1 . . . . . . . . 25 1
64 . 1 1 87 87 HIS HD2 H 1 .98 . . 1 . . . . . . . . 25 1
65 . 1 1 87 87 HIS HE1 H 1 1.45 . . 1 . . . . . . . . 25 1
66 . 1 1 98 98 PHE HD1 H 1 7.59 . . 1 . . . . . . . . 25 1
67 . 1 1 98 98 PHE HD2 H 1 7.59 . . 1 . . . . . . . . 25 1
68 . 1 1 98 98 PHE HE1 H 1 6.26 . . 1 . . . . . . . . 25 1
69 . 1 1 98 98 PHE HE2 H 1 6.26 . . 1 . . . . . . . . 25 1
70 . 1 1 98 98 PHE HZ H 1 5.3 . . 1 . . . . . . . . 25 1
stop_
save_