Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5548
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '2D NOESY' . . . 5548 1
2 E-COSY . . . 5548 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 3 3 LEU N N 15 128.6 . . . . . . . . . . . 5548 1
2 . 1 1 3 3 LEU H H 1 8.42 . . . . . . . . . . . 5548 1
3 . 1 1 4 4 GLU N N 15 130.1 . . . . . . . . . . . 5548 1
4 . 1 1 4 4 GLU H H 1 8.26 . . . . . . . . . . . 5548 1
5 . 1 1 6 6 GLU N N 15 128.8 . . . . . . . . . . . 5548 1
6 . 1 1 6 6 GLU H H 1 8.63 . . . . . . . . . . . 5548 1
7 . 1 1 7 7 TYR N N 15 123.5 . . . . . . . . . . . 5548 1
8 . 1 1 7 7 TYR H H 1 8.69 . . . . . . . . . . . 5548 1
9 . 1 1 9 9 GLY N N 15 127.5 . . . . . . . . . . . 5548 1
10 . 1 1 9 9 GLY H H 1 8.2 . . . . . . . . . . . 5548 1
11 . 1 1 10 10 ASP N N 15 124 . . . . . . . . . . . 5548 1
12 . 1 1 10 10 ASP H H 1 8.54 . . . . . . . . . . . 5548 1
13 . 1 1 11 11 ASN N N 15 121.6 . . . . . . . . . . . 5548 1
14 . 1 1 11 11 ASN H H 1 8.35 . . . . . . . . . . . 5548 1
15 . 1 1 12 12 ALA N N 15 127.9 . . . . . . . . . . . 5548 1
16 . 1 1 12 12 ALA H H 1 7 . . . . . . . . . . . 5548 1
17 . 1 1 13 13 THR N N 15 118.6 . . . . . . . . . . . 5548 1
18 . 1 1 13 13 THR H H 1 8.48 . . . . . . . . . . . 5548 1
19 . 1 1 15 15 GLU N N 15 133.3 . . . . . . . . . . . 5548 1
20 . 1 1 15 15 GLU H H 1 8.72 . . . . . . . . . . . 5548 1
21 . 1 1 16 16 GLN N N 15 126 . . . . . . . . . . . 5548 1
22 . 1 1 16 16 GLN H H 1 7.85 . . . . . . . . . . . 5548 1
23 . 1 1 17 17 MET N N 15 126.3 . . . . . . . . . . . 5548 1
24 . 1 1 17 17 MET H H 1 8.65 . . . . . . . . . . . 5548 1
25 . 1 1 18 18 ALA N N 15 128.4 . . . . . . . . . . . 5548 1
26 . 1 1 18 18 ALA H H 1 8.44 . . . . . . . . . . . 5548 1
27 . 1 1 19 19 GLN N N 15 125.3 . . . . . . . . . . . 5548 1
28 . 1 1 19 19 GLN H H 1 8.02 . . . . . . . . . . . 5548 1
29 . 1 1 20 20 TYR N N 15 127 . . . . . . . . . . . 5548 1
30 . 1 1 20 20 TYR H H 1 8.1 . . . . . . . . . . . 5548 1
31 . 1 1 21 21 ALA N N 15 126.6 . . . . . . . . . . . 5548 1
32 . 1 1 21 21 ALA H H 1 8.62 . . . . . . . . . . . 5548 1
33 . 1 1 22 22 ALA N N 15 125.1 . . . . . . . . . . . 5548 1
34 . 1 1 22 22 ALA H H 1 7.86 . . . . . . . . . . . 5548 1
35 . 1 1 23 23 GLU N N 15 125.6 . . . . . . . . . . . 5548 1
36 . 1 1 23 23 GLU H H 1 8.35 . . . . . . . . . . . 5548 1
37 . 1 1 24 24 LEU N N 15 128.8 . . . . . . . . . . . 5548 1
38 . 1 1 24 24 LEU H H 1 8.9 . . . . . . . . . . . 5548 1
39 . 1 1 25 25 ARG N N 15 125 . . . . . . . . . . . 5548 1
40 . 1 1 25 25 ARG H H 1 8.19 . . . . . . . . . . . 5548 1
41 . 1 1 26 26 ARG N N 15 124.9 . . . . . . . . . . . 5548 1
42 . 1 1 26 26 ARG H H 1 7.7 . . . . . . . . . . . 5548 1
43 . 1 1 27 27 TYR N N 15 127.6 . . . . . . . . . . . 5548 1
44 . 1 1 27 27 TYR H H 1 8.2 . . . . . . . . . . . 5548 1
45 . 1 1 28 28 ILE N N 15 124.4 . . . . . . . . . . . 5548 1
46 . 1 1 28 28 ILE H H 1 8.52 . . . . . . . . . . . 5548 1
47 . 1 1 29 29 ASN N N 15 125.1 . . . . . . . . . . . 5548 1
48 . 1 1 29 29 ASN H H 1 7.87 . . . . . . . . . . . 5548 1
49 . 1 1 30 30 MET N N 15 124.1 . . . . . . . . . . . 5548 1
50 . 1 1 30 30 MET H H 1 7.81 . . . . . . . . . . . 5548 1
51 . 1 1 31 31 LEU N N 15 124.8 . . . . . . . . . . . 5548 1
52 . 1 1 31 31 LEU H H 1 7.73 . . . . . . . . . . . 5548 1
53 . 1 1 32 32 THR N N 15 114.3 . . . . . . . . . . . 5548 1
54 . 1 1 32 32 THR H H 1 7.72 . . . . . . . . . . . 5548 1
55 . 1 1 33 33 ARG N N 15 129.7 . . . . . . . . . . . 5548 1
56 . 1 1 33 33 ARG H H 1 7.71 . . . . . . . . . . . 5548 1
57 . 1 1 35 35 ARG N N 15 126.6 . . . . . . . . . . . 5548 1
58 . 1 1 35 35 ARG H H 1 8.32 . . . . . . . . . . . 5548 1
59 . 1 1 36 36 TYR N N 15 126.4 . . . . . . . . . . . 5548 1
60 . 1 1 36 36 TYR H H 1 8.02 . . . . . . . . . . . 5548 1
stop_
save_