Content for NMR-STAR saveframe, "chem_shift_list_1"
save_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 6792
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_Assigned_chem_shift_list.Chem_shift_1H_err 0.1
_Assigned_chem_shift_list.Chem_shift_13C_err 1.0
_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 'List of all 1H and 13C chemical shifts found in this study (for AST8)'
_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
3 NOESY 1 $AST8 isotropic 6792 1
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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 1 1 GLY HA2 H 1 3.948 0.01 . . . . . . 1 GLY HA1 . 6792 1
2 . 1 1 1 1 GLY HA3 H 1 3.924 0.01 . . . . . . 1 GLY HA2 . 6792 1
3 . 1 1 1 1 GLY CA C 13 43.391 1 . . . . . . 1 GLY CA . 6792 1
4 . 1 1 2 2 GLY H H 1 8.462 0.01 . . . . . . 2 GLY HN . 6792 1
5 . 1 1 2 2 GLY HA2 H 1 4.082 0.01 . . . . . . 2 GLY HA1 . 6792 1
6 . 1 1 2 2 GLY HA3 H 1 4.075 0.01 . . . . . . 2 GLY HA2 . 6792 1
7 . 1 1 2 2 GLY CA C 13 45.493 1 . . . . . . 2 GLY CA . 6792 1
8 . 1 1 3 3 SER H H 1 8.215 0.01 . . . . . . 3 SER HN . 6792 1
9 . 1 1 3 3 SER HA H 1 4.469 0.01 . . . . . . 3 SER HA . 6792 1
10 . 1 1 3 3 SER HB2 H 1 3.884 0.01 . . . . . . 3 SER HB2 . 6792 1
11 . 1 1 3 3 SER HB3 H 1 3.884 0.01 . . . . . . 3 SER HB3 . 6792 1
12 . 1 1 3 3 SER CA C 13 58.866 1 . . . . . . 3 SER CA . 6792 1
13 . 1 1 3 3 SER CB C 13 63.933 1 . . . . . . 3 SER CB . 6792 1
14 . 1 1 4 4 LEU H H 1 8.239 0.01 . . . . . . 4 LEU HN . 6792 1
15 . 1 1 4 4 LEU HA H 1 4.201 0.01 . . . . . . 4 LEU HA . 6792 1
16 . 1 1 4 4 LEU HB2 H 1 1.617 0.01 . . . . . . 4 LEU HB2 . 6792 1
17 . 1 1 4 4 LEU HB3 H 1 1.624 0.01 . . . . . . 4 LEU HB3 . 6792 1
18 . 1 1 4 4 LEU HG H 1 1.449 0.01 . . . . . . 4 LEU HG . 6792 1
19 . 1 1 4 4 LEU HD11 H 1 0.904 0.01 . . . . . . 4 LEU HD11 . 6792 1
20 . 1 1 4 4 LEU HD12 H 1 0.904 0.01 . . . . . . 4 LEU HD11 . 6792 1
21 . 1 1 4 4 LEU HD13 H 1 0.904 0.01 . . . . . . 4 LEU HD11 . 6792 1
22 . 1 1 4 4 LEU HD21 H 1 0.839 0.01 . . . . . . 4 LEU HD21 . 6792 1
23 . 1 1 4 4 LEU HD22 H 1 0.839 0.01 . . . . . . 4 LEU HD21 . 6792 1
24 . 1 1 4 4 LEU HD23 H 1 0.839 0.01 . . . . . . 4 LEU HD21 . 6792 1
25 . 1 1 4 4 LEU CA C 13 56.621 1 . . . . . . 4 LEU CA . 6792 1
26 . 1 1 4 4 LEU CB C 13 42.210 1 . . . . . . 4 LEU CB . 6792 1
27 . 1 1 4 4 LEU CG C 13 27.225 1 . . . . . . 4 LEU CG . 6792 1
28 . 1 1 4 4 LEU CD1 C 13 25.082 1 . . . . . . 4 LEU CD1 . 6792 1
29 . 1 1 4 4 LEU CD2 C 13 24.066 1 . . . . . . 4 LEU CD2 . 6792 1
30 . 1 1 5 5 TYR H H 1 7.706 0.01 . . . . . . 5 TYR HN . 6792 1
31 . 1 1 5 5 TYR HA H 1 4.427 0.01 . . . . . . 5 TYR HA . 6792 1
32 . 1 1 5 5 TYR HB2 H 1 2.888 0.01 . . . . . . 5 TYR HB2 . 6792 1
33 . 1 1 5 5 TYR HB3 H 1 2.889 0.01 . . . . . . 5 TYR HB3 . 6792 1
34 . 1 1 5 5 TYR HD1 H 1 6.996 0.01 . . . . . . 5 TYR HD1 . 6792 1
35 . 1 1 5 5 TYR HD2 H 1 6.996 0.01 . . . . . . 5 TYR HD2 . 6792 1
36 . 1 1 5 5 TYR HE1 H 1 6.766 0.01 . . . . . . 5 TYR HE1 . 6792 1
37 . 1 1 5 5 TYR HE2 H 1 6.767 0.01 . . . . . . 5 TYR HE2 . 6792 1
38 . 1 1 5 5 TYR CA C 13 58.391 1 . . . . . . 5 TYR CA . 6792 1
39 . 1 1 5 5 TYR CB C 13 39.021 1 . . . . . . 5 TYR CB . 6792 1
40 . 1 1 5 5 TYR CD1 C 13 133.142 1 . . . . . . 5 TYR CD1 . 6792 1
41 . 1 1 5 5 TYR CD2 C 13 133.142 1 . . . . . . 5 TYR CD2 . 6792 1
42 . 1 1 6 6 SER H H 1 7.734 0.01 . . . . . . 6 SER HN . 6792 1
43 . 1 1 6 6 SER HA H 1 4.362 0.01 . . . . . . 6 SER HA . 6792 1
44 . 1 1 6 6 SER HB2 H 1 3.756 0.01 . . . . . . 6 SER HB2 . 6792 1
45 . 1 1 6 6 SER HB3 H 1 3.707 0.01 . . . . . . 6 SER HB3 . 6792 1
46 . 1 1 6 6 SER CA C 13 58.536 1 . . . . . . 6 SER CA . 6792 1
47 . 1 1 6 6 SER CB C 13 63.573 1 . . . . . . 6 SER CB . 6792 1
48 . 1 1 7 7 PHE H H 1 7.840 0.01 . . . . . . 7 PHE HN . 6792 1
49 . 1 1 7 7 PHE HA H 1 4.547 0.01 . . . . . . 7 PHE HA . 6792 1
50 . 1 1 7 7 PHE HB2 H 1 3.081 0.01 . . . . . . 7 PHE HB2 . 6792 1
51 . 1 1 7 7 PHE HB3 H 1 3.245 0.01 . . . . . . 7 PHE HB3 . 6792 1
52 . 1 1 7 7 PHE HD1 H 1 7.293 0.01 . . . . . . 7 PHE HD1 . 6792 1
53 . 1 1 7 7 PHE HD2 H 1 7.292 0.01 . . . . . . 7 PHE HD2 . 6792 1
54 . 1 1 7 7 PHE HE1 H 1 7.173 0.01 . . . . . . 7 PHE HE1 . 6792 1
55 . 1 1 7 7 PHE HE2 H 1 7.173 0.01 . . . . . . 7 PHE HE2 . 6792 1
56 . 1 1 7 7 PHE CA C 13 58.474 1 . . . . . . 7 PHE CA . 6792 1
57 . 1 1 7 7 PHE CB C 13 39.564 1 . . . . . . 7 PHE CB . 6792 1
58 . 1 1 7 7 PHE CD1 C 13 131.978 1 . . . . . . 7 PHE CD1 . 6792 1
59 . 1 1 7 7 PHE CD2 C 13 131.987 1 . . . . . . 7 PHE CD2 . 6792 1
60 . 1 1 7 7 PHE CE1 C 13 129.589 1 . . . . . . 7 PHE CE1 . 6792 1
61 . 1 1 7 7 PHE CE2 C 13 131.299 1 . . . . . . 7 PHE CE2 . 6792 1
62 . 1 1 8 8 GLY H H 1 8.076 0.01 . . . . . . 8 GLY HN . 6792 1
63 . 1 1 8 8 GLY HA2 H 1 3.903 0.01 . . . . . . 8 GLY HA1 . 6792 1
64 . 1 1 8 8 GLY HA3 H 1 3.898 0.01 . . . . . . 8 GLY HA2 . 6792 1
65 . 1 1 8 8 GLY CA C 13 45.844 1 . . . . . . 8 GLY CA . 6792 1
66 . 1 1 9 9 LEU H H 1 7.693 0.01 . . . . . . 9 LEU HN . 6792 1
67 . 1 1 9 9 LEU HA H 1 4.296 0.01 . . . . . . 9 LEU HA . 6792 1
68 . 1 1 9 9 LEU HB2 H 1 1.705 0.01 . . . . . . 9 LEU HB2 . 6792 1
69 . 1 1 9 9 LEU HB3 H 1 1.699 0.01 . . . . . . 9 LEU HB3 . 6792 1
70 . 1 1 9 9 LEU HG H 1 1.560 0.01 . . . . . . 9 LEU HG . 6792 1
71 . 1 1 9 9 LEU HD11 H 1 0.934 0.01 . . . . . . 9 LEU HD11 . 6792 1
72 . 1 1 9 9 LEU HD12 H 1 0.934 0.01 . . . . . . 9 LEU HD11 . 6792 1
73 . 1 1 9 9 LEU HD13 H 1 0.934 0.01 . . . . . . 9 LEU HD11 . 6792 1
74 . 1 1 9 9 LEU HD21 H 1 0.892 0.01 . . . . . . 9 LEU HD21 . 6792 1
75 . 1 1 9 9 LEU HD22 H 1 0.892 0.01 . . . . . . 9 LEU HD21 . 6792 1
76 . 1 1 9 9 LEU HD23 H 1 0.892 0.01 . . . . . . 9 LEU HD21 . 6792 1
77 . 1 1 9 9 LEU CA C 13 55.004 1 . . . . . . 9 LEU CA . 6792 1
78 . 1 1 9 9 LEU CB C 13 42.820 1 . . . . . . 9 LEU CB . 6792 1
79 . 1 1 9 9 LEU CG C 13 27.266 1 . . . . . . 9 LEU CG . 6792 1
80 . 1 1 9 9 LEU CD1 C 13 25.554 1 . . . . . . 9 LEU CD1 . 6792 1
81 . 1 1 9 9 LEU CD2 C 13 23.536 1 . . . . . . 9 LEU CD2 . 6792 1
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