Content for NMR-STAR saveframe, "chemicalshift"
save_chemicalshift
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemicalshift
_Assigned_chem_shift_list.Entry_ID 20005
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $bicelles
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $TSP
_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 .
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_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 1H-1H TOCSY' . . . 20005 1
4 '2D 1H-13C HSQC' . . . 20005 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $xwinnmr . . 20005 1
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_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 1 1 TYR HA H 1 4.212 0.01 . 1 . . . . 1 TYR HA . 20005 1
2 . 1 1 1 1 TYR HB2 H 1 3.11 0.01 . 1 . . . . 1 TYR HB2 . 20005 1
3 . 1 1 1 1 TYR HD1 H 1 7.137 0.01 . 3 . . . . 1 TYR HD1 . 20005 1
4 . 1 1 1 1 TYR HE1 H 1 6.851 0.01 . 3 . . . . 1 TYR HE1 . 20005 1
5 . 1 1 1 1 TYR C C 13 170.761 0.01 . 1 . . . . 1 TYR C . 20005 1
6 . 1 1 1 1 TYR CA C 13 54.83 0.01 . 1 . . . . 1 TYR CA . 20005 1
7 . 1 1 1 1 TYR CB C 13 36.11 0.01 . 1 . . . . 1 TYR CB . 20005 1
8 . 1 1 1 1 TYR CD1 C 13 130.9 0.01 . 3 . . . . 1 TYR CD1 . 20005 1
9 . 1 1 1 1 TYR CE1 C 13 115.93 0.01 . 3 . . . . 1 TYR CE1 . 20005 1
10 . 1 1 1 1 TYR CG C 13 127.124 0.01 . 1 . . . . 1 TYR CG . 20005 1
11 . 1 1 1 1 TYR CZ C 13 155.251 0.01 . 1 . . . . 1 TYR CZ . 20005 1
12 . 1 1 2 2 GLY H H 1 8.55 0.01 . 1 . . . . 2 GLY H . 20005 1
13 . 1 1 2 2 GLY HA2 H 1 3.83 0.01 . 2 . . . . 2 GLY HA2 . 20005 1
14 . 1 1 2 2 GLY HA3 H 1 3.906 0.01 . 2 . . . . 2 GLY HA3 . 20005 1
15 . 1 1 2 2 GLY C C 13 171.295 0.01 . 1 . . . . 2 GLY C . 20005 1
16 . 1 1 2 2 GLY CA C 13 42.69 0.01 . 1 . . . . 2 GLY CA . 20005 1
17 . 1 1 3 3 GLY H H 1 7.964 0.01 . 1 . . . . 3 GLY H . 20005 1
18 . 1 1 3 3 GLY HA2 H 1 3.814 0.01 . 2 . . . . 3 GLY HA2 . 20005 1
19 . 1 1 3 3 GLY HA3 H 1 3.902 0.01 . 2 . . . . 3 GLY HA3 . 20005 1
20 . 1 1 3 3 GLY C C 13 171.295 0.01 . 1 . . . . 3 GLY C . 20005 1
21 . 1 1 3 3 GLY CA C 13 42.49 0.01 . 1 . . . . 3 GLY CA . 20005 1
22 . 1 1 4 4 PHE H H 1 7.989 0.01 . 1 . . . . 4 PHE H . 20005 1
23 . 1 1 4 4 PHE HA H 1 4.642 0.01 . 1 . . . . 4 PHE HA . 20005 1
24 . 1 1 4 4 PHE HB2 H 1 3.173 0.01 . 3 . . . . 4 PHE HB2 . 20005 1
25 . 1 1 4 4 PHE HB3 H 1 2.962 0.01 . 1 . . . . 4 PHE HB3 . 20005 1
26 . 1 1 4 4 PHE HD1 H 1 7.245 0.01 . 3 . . . . 4 PHE HD1 . 20005 1
27 . 1 1 4 4 PHE HE1 H 1 7.33 0.01 . 3 . . . . 4 PHE HE1 . 20005 1
28 . 1 1 4 4 PHE HZ H 1 7.28 0.01 . 1 . . . . 4 PHE HZ . 20005 1
29 . 1 1 4 4 PHE C C 13 172.091 0.01 . 1 . . . . 4 PHE C . 20005 1
30 . 1 1 4 4 PHE CA C 13 54.95 0.01 . 1 . . . . 4 PHE CA . 20005 1
31 . 1 1 4 4 PHE CB C 13 36.982 0.01 . 1 . . . . 4 PHE CB . 20005 1
32 . 1 1 4 4 PHE CD1 C 13 129.3 0.01 . 3 . . . . 4 PHE CD1 . 20005 1
33 . 1 1 4 4 PHE CE1 C 13 128.7 0.01 . 3 . . . . 4 PHE CE1 . 20005 1
34 . 1 1 4 4 PHE CG C 13 136.585 0.01 . 1 . . . . 4 PHE CG . 20005 1
35 . 1 1 4 4 PHE CZ C 13 128.743 0.01 . 1 . . . . 4 PHE CZ . 20005 1
36 . 1 1 5 5 LEU H H 1 7.875 0.01 . 1 . . . . 5 LEU H . 20005 1
37 . 1 1 5 5 LEU HA H 1 4.157 0.01 . 1 . . . . 5 LEU HA . 20005 1
38 . 1 1 5 5 LEU HB2 H 1 1.535 0.01 . 1 . . . . 5 LEU HB . 20005 1
39 . 1 1 5 5 LEU HB3 H 1 1.535 0.01 . 1 . . . . 5 LEU HB . 20005 1
40 . 1 1 5 5 LEU HD11 H 1 0.8336 0.01 . 2 . . . . 5 LEU HD1 . 20005 1
41 . 1 1 5 5 LEU HD12 H 1 0.8336 0.01 . 2 . . . . 5 LEU HD1 . 20005 1
42 . 1 1 5 5 LEU HD13 H 1 0.8336 0.01 . 2 . . . . 5 LEU HD1 . 20005 1
43 . 1 1 5 5 LEU HD21 H 1 0.8659 0.01 . 2 . . . . 5 LEU HD2 . 20005 1
44 . 1 1 5 5 LEU HD22 H 1 0.8659 0.01 . 2 . . . . 5 LEU HD2 . 20005 1
45 . 1 1 5 5 LEU HD23 H 1 0.8659 0.01 . 2 . . . . 5 LEU HD2 . 20005 1
46 . 1 1 5 5 LEU HG H 1 1.535 0.01 . 1 . . . . 5 LEU HG . 20005 1
47 . 1 1 5 5 LEU C C 13 179.303 0.01 . 1 . . . . 5 LEU C . 20005 1
48 . 1 1 5 5 LEU CA C 13 54.04 0.01 . 1 . . . . 5 LEU CA . 20005 1
49 . 1 1 5 5 LEU CB C 13 40.93 0.01 . 1 . . . . 5 LEU CB . 20005 1
50 . 1 1 5 5 LEU CD1 C 13 21.1 0.01 . 2 . . . . 5 LEU CD1 . 20005 1
51 . 1 1 5 5 LEU CD2 C 13 22.36 0.01 . 2 . . . . 5 LEU CD2 . 20005 1
52 . 1 1 5 5 LEU CG C 13 24.55 0.01 . 1 . . . . 5 LEU CG . 20005 1
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