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 6791
_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 AST5)'
_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 NOESY 1 $AST5 isotropic 6791 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 1 1 ASP HA H 1 4.429 0.1 . . . . . . 1 ASP HA . 6791 1
2 . 1 1 1 1 ASP HB2 H 1 3.105 0.1 . . . . . . 1 ASP HB2 . 6791 1
3 . 1 1 1 1 ASP HB3 H 1 3.105 0.1 . . . . . . 1 ASP HB3 . 6791 1
4 . 1 1 1 1 ASP CA C 13 52.590 1 . . . . . . 1 ASP CA . 6791 1
5 . 1 1 1 1 ASP CB C 13 37.627 1 . . . . . . 1 ASP CB . 6791 1
6 . 1 1 2 2 ARG H H 1 8.574 0.1 . . . . . . 2 ARG HN . 6791 1
7 . 1 1 2 2 ARG HA H 1 4.335 0.1 . . . . . . 2 ARG HA . 6791 1
8 . 1 1 2 2 ARG HB2 H 1 1.754 0.1 . . . . . . 2 ARG HB2 . 6791 1
9 . 1 1 2 2 ARG HB3 H 1 1.889 0.1 . . . . . . 2 ARG HB3 . 6791 1
10 . 1 1 2 2 ARG HG2 H 1 1.708 0.1 . . . . . . 2 ARG HG2 . 6791 1
11 . 1 1 2 2 ARG HG3 H 1 1.699 0.1 . . . . . . 2 ARG HG3 . 6791 1
12 . 1 1 2 2 ARG HD2 H 1 3.209 0.1 . . . . . . 2 ARG HD2 . 6791 1
13 . 1 1 2 2 ARG HD3 H 1 3.209 0.1 . . . . . . 2 ARG HD3 . 6791 1
14 . 1 1 2 2 ARG HE H 1 7.120 0.1 . . . . . . 2 ARG HE . 6791 1
15 . 1 1 2 2 ARG CA C 13 57.018 1 . . . . . . 2 ARG CA . 6791 1
16 . 1 1 2 2 ARG CB C 13 31.003 1 . . . . . . 2 ARG CB . 6791 1
17 . 1 1 2 2 ARG CD C 13 43.492 1 . . . . . . 2 ARG CD . 6791 1
18 . 1 1 3 3 LEU H H 1 8.030 0.1 . . . . . . 3 LEU HN . 6791 1
19 . 1 1 3 3 LEU HA H 1 4.179 0.1 . . . . . . 3 LEU HA . 6791 1
20 . 1 1 3 3 LEU HB2 H 1 1.662 0.1 . . . . . . 3 LEU HB2 . 6791 1
21 . 1 1 3 3 LEU HB3 H 1 1.546 0.1 . . . . . . 3 LEU HB3 . 6791 1
22 . 1 1 3 3 LEU HG H 1 1.458 0.1 . . . . . . 3 LEU HG . 6791 1
23 . 1 1 3 3 LEU HD11 H 1 0.916 0.1 . . . . . . 3 LEU HD11 . 6791 1
24 . 1 1 3 3 LEU HD12 H 1 0.916 0.1 . . . . . . 3 LEU HD11 . 6791 1
25 . 1 1 3 3 LEU HD13 H 1 0.916 0.1 . . . . . . 3 LEU HD11 . 6791 1
26 . 1 1 3 3 LEU HD21 H 1 0.835 0.1 . . . . . . 3 LEU HD21 . 6791 1
27 . 1 1 3 3 LEU HD22 H 1 0.835 0.1 . . . . . . 3 LEU HD21 . 6791 1
28 . 1 1 3 3 LEU HD23 H 1 0.835 0.1 . . . . . . 3 LEU HD21 . 6791 1
29 . 1 1 3 3 LEU CA C 13 56.369 1 . . . . . . 3 LEU CA . 6791 1
30 . 1 1 3 3 LEU CB C 13 42.316 1 . . . . . . 3 LEU CB . 6791 1
31 . 1 1 3 3 LEU CG C 13 27.238 1 . . . . . . 3 LEU CG . 6791 1
32 . 1 1 3 3 LEU CD1 C 13 25.213 1 . . . . . . 3 LEU CD1 . 6791 1
33 . 1 1 3 3 LEU CD2 C 13 23.917 1 . . . . . . 3 LEU CD2 . 6791 1
34 . 1 1 4 4 TYR H H 1 7.576 0.1 . . . . . . 4 TYR HN . 6791 1
35 . 1 1 4 4 TYR HA H 1 4.442 0.1 . . . . . . 4 TYR HA . 6791 1
36 . 1 1 4 4 TYR HB2 H 1 2.872 0.1 . . . . . . 4 TYR HB2 . 6791 1
37 . 1 1 4 4 TYR HB3 H 1 2.872 0.1 . . . . . . 4 TYR HB3 . 6791 1
38 . 1 1 4 4 TYR HD1 H 1 6.967 0.1 . . . . . . 4 TYR HD1 . 6791 1
39 . 1 1 4 4 TYR HD2 H 1 7.007 0.1 . . . . . . 4 TYR HD2 . 6791 1
40 . 1 1 4 4 TYR HE1 H 1 6.721 0.1 . . . . . . 4 TYR HE1 . 6791 1
41 . 1 1 4 4 TYR HE2 H 1 6.730 0.1 . . . . . . 4 TYR HE2 . 6791 1
42 . 1 1 4 4 TYR CA C 13 58.431 1 . . . . . . 4 TYR CA . 6791 1
43 . 1 1 4 4 TYR CB C 13 39.334 1 . . . . . . 4 TYR CB . 6791 1
44 . 1 1 4 4 TYR CD1 C 13 133.231 1 . . . . . . 4 TYR CD1 . 6791 1
45 . 1 1 4 4 TYR CD2 C 13 129.493 1 . . . . . . 4 TYR CD2 . 6791 1
46 . 1 1 4 4 TYR CE1 C 13 118.198 1 . . . . . . 4 TYR CE1 . 6791 1
47 . 1 1 5 5 SER H H 1 7.768 0.1 . . . . . . 5 SER HN . 6791 1
48 . 1 1 5 5 SER HA H 1 4.355 0.1 . . . . . . 5 SER HA . 6791 1
49 . 1 1 5 5 SER HB2 H 1 3.719 0.1 . . . . . . 5 SER HB2 . 6791 1
50 . 1 1 5 5 SER HB3 H 1 3.663 0.1 . . . . . . 5 SER HB3 . 6791 1
51 . 1 1 5 5 SER CA C 13 58.517 1 . . . . . . 5 SER CA . 6791 1
52 . 1 1 5 5 SER CB C 13 63.813 1 . . . . . . 5 SER CB . 6791 1
53 . 1 1 6 6 PHE H H 1 7.847 0.1 . . . . . . 6 PHE HN . 6791 1
54 . 1 1 6 6 PHE HA H 1 4.549 0.1 . . . . . . 6 PHE HA . 6791 1
55 . 1 1 6 6 PHE HB2 H 1 3.254 0.1 . . . . . . 6 PHE HB2 . 6791 1
56 . 1 1 6 6 PHE HB3 H 1 3.055 0.1 . . . . . . 6 PHE HB3 . 6791 1
57 . 1 1 6 6 PHE HD1 H 1 7.285 0.1 . . . . . . 6 PHE HD1 . 6791 1
58 . 1 1 6 6 PHE HD2 H 1 7.285 0.1 . . . . . . 6 PHE HD2 . 6791 1
59 . 1 1 6 6 PHE HE1 H 1 7.261 0.1 . . . . . . 6 PHE HE1 . 6791 1
60 . 1 1 6 6 PHE HE2 H 1 7.261 0.1 . . . . . . 6 PHE HE2 . 6791 1
61 . 1 1 6 6 PHE HZ H 1 7.386 0.1 . . . . . . 6 PHE HZ . 6791 1
62 . 1 1 6 6 PHE CA C 13 58.419 1 . . . . . . 6 PHE CA . 6791 1
63 . 1 1 6 6 PHE CB C 13 39.647 1 . . . . . . 6 PHE CB . 6791 1
64 . 1 1 6 6 PHE CD1 C 13 130.919 1 . . . . . . 6 PHE CD1 . 6791 1
65 . 1 1 6 6 PHE CD2 C 13 130.919 1 . . . . . . 6 PHE CD2 . 6791 1
66 . 1 1 6 6 PHE CE1 C 13 131.282 1 . . . . . . 6 PHE CE1 . 6791 1
67 . 1 1 6 6 PHE CE2 C 13 131.282 1 . . . . . . 6 PHE CE2 . 6791 1
68 . 1 1 6 6 PHE CZ C 13 129.555 1 . . . . . . 6 PHE CZ . 6791 1
69 . 1 1 7 7 GLY H H 1 8.086 0.1 . . . . . . 7 GLY HN . 6791 1
70 . 1 1 7 7 GLY HA2 H 1 3.934 0.1 . . . . . . 7 GLY HA1 . 6791 1
71 . 1 1 7 7 GLY HA3 H 1 3.871 0.1 . . . . . . 7 GLY HA2 . 6791 1
72 . 1 1 7 7 GLY CA C 13 45.914 1 . . . . . . 7 GLY CA . 6791 1
73 . 1 1 8 8 LEU H H 1 7.670 0.1 . . . . . . 8 LEU HN . 6791 1
74 . 1 1 8 8 LEU HA H 1 4.292 0.1 . . . . . . 8 LEU HA . 6791 1
75 . 1 1 8 8 LEU HB2 H 1 1.557 0.1 . . . . . . 8 LEU HB2 . 6791 1
76 . 1 1 8 8 LEU HB3 H 1 1.722 0.1 . . . . . . 8 LEU HB3 . 6791 1
77 . 1 1 8 8 LEU HG H 1 1.663 0.1 . . . . . . 8 LEU HG . 6791 1
78 . 1 1 8 8 LEU HD11 H 1 0.928 0.1 . . . . . . 8 LEU HD11 . 6791 1
79 . 1 1 8 8 LEU HD12 H 1 0.928 0.1 . . . . . . 8 LEU HD11 . 6791 1
80 . 1 1 8 8 LEU HD13 H 1 0.928 0.1 . . . . . . 8 LEU HD11 . 6791 1
81 . 1 1 8 8 LEU HD21 H 1 0.898 0.1 . . . . . . 8 LEU HD21 . 6791 1
82 . 1 1 8 8 LEU HD22 H 1 0.898 0.1 . . . . . . 8 LEU HD21 . 6791 1
83 . 1 1 8 8 LEU HD23 H 1 0.898 0.1 . . . . . . 8 LEU HD21 . 6791 1
84 . 1 1 8 8 LEU CA C 13 55.084 1 . . . . . . 8 LEU CA . 6791 1
85 . 1 1 8 8 LEU CB C 13 42.845 1 . . . . . . 8 LEU CB . 6791 1
86 . 1 1 8 8 LEU CG C 13 27.329 1 . . . . . . 8 LEU CG . 6791 1
87 . 1 1 8 8 LEU CD1 C 13 25.570 1 . . . . . . 8 LEU CD1 . 6791 1
88 . 1 1 8 8 LEU CD2 C 13 23.518 1 . . . . . . 8 LEU CD2 . 6791 1
89 . 1 1 9 9 NH2 HN1 H 1 7.483 0.1 . . . . . . 9 CONH2 HN1 . 6791 1
90 . 1 1 9 9 NH2 HN2 H 1 6.888 0.1 . . . . . . 9 CONH2 HN2 . 6791 1
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