Content for NMR-STAR saveframe, "assigned_chemical_shifts"
save_assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts
_Assigned_chem_shift_list.Entry_ID 16190
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_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 '3D-{1H,12C}-filtered-{1H,13C}-edited NOESY' . . . 16190 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 4 4 ILE HD11 H 1 0.7260 0.01 . 1 . . . . 4 ILE HD11 . 16190 1
2 . 1 1 4 4 ILE HD12 H 1 0.7260 0.01 . 1 . . . . 4 ILE HD11 . 16190 1
3 . 1 1 4 4 ILE HD13 H 1 0.7260 0.01 . 1 . . . . 4 ILE HD11 . 16190 1
4 . 1 1 4 4 ILE CD1 C 13 13.3360 0.2 . 1 . . . . 4 ILE CD1 . 16190 1
5 . 1 1 7 7 ALA HB1 H 1 1.4280 0.01 . 1 . . . . 7 ALA HB1 . 16190 1
6 . 1 1 7 7 ALA HB2 H 1 1.4280 0.01 . 1 . . . . 7 ALA HB1 . 16190 1
7 . 1 1 7 7 ALA HB3 H 1 1.4280 0.01 . 1 . . . . 7 ALA HB1 . 16190 1
8 . 1 1 7 7 ALA CB C 13 18.1470 0.2 . 1 . . . . 7 ALA CB . 16190 1
9 . 1 1 12 12 LEU HD21 H 1 0.9230 0.01 . 2 . . . . 12 LEU HD21 . 16190 1
10 . 1 1 12 12 LEU HD22 H 1 0.9230 0.01 . 2 . . . . 12 LEU HD21 . 16190 1
11 . 1 1 12 12 LEU HD23 H 1 0.9230 0.01 . 2 . . . . 12 LEU HD21 . 16190 1
12 . 1 1 12 12 LEU CD2 C 13 23.2140 0.2 . 2 . . . . 12 LEU CD2 . 16190 1
13 . 1 1 13 13 THR HG21 H 1 1.4200 0.01 . 1 . . . . 13 THR HG21 . 16190 1
14 . 1 1 13 13 THR HG22 H 1 1.4200 0.01 . 1 . . . . 13 THR HG21 . 16190 1
15 . 1 1 13 13 THR HG23 H 1 1.4200 0.01 . 1 . . . . 13 THR HG21 . 16190 1
16 . 1 1 13 13 THR CG2 C 13 21.7770 0.2 . 1 . . . . 13 THR CG2 . 16190 1
17 . 1 1 22 22 ALA HB1 H 1 1.5460 0.01 . 1 . . . . 22 ALA HB1 . 16190 1
18 . 1 1 22 22 ALA HB2 H 1 1.5460 0.01 . 1 . . . . 22 ALA HB1 . 16190 1
19 . 1 1 22 22 ALA HB3 H 1 1.5460 0.01 . 1 . . . . 22 ALA HB1 . 16190 1
20 . 1 1 22 22 ALA CB C 13 18.0690 0.2 . 1 . . . . 22 ALA CB . 16190 1
21 . 1 1 23 23 ALA HB1 H 1 1.7620 0.01 . 1 . . . . 23 ALA HB1 . 16190 1
22 . 1 1 23 23 ALA HB2 H 1 1.7620 0.01 . 1 . . . . 23 ALA HB1 . 16190 1
23 . 1 1 23 23 ALA HB3 H 1 1.7620 0.01 . 1 . . . . 23 ALA HB1 . 16190 1
24 . 1 1 23 23 ALA CB C 13 18.5760 0.2 . 1 . . . . 23 ALA CB . 16190 1
25 . 1 1 26 26 ILE HD11 H 1 0.8090 0.01 . 1 . . . . 26 ILE HD11 . 16190 1
26 . 1 1 26 26 ILE HD12 H 1 0.8090 0.01 . 1 . . . . 26 ILE HD11 . 16190 1
27 . 1 1 26 26 ILE HD13 H 1 0.8090 0.01 . 1 . . . . 26 ILE HD11 . 16190 1
28 . 1 1 26 26 ILE CD1 C 13 12.9230 0.2 . 1 . . . . 26 ILE CD1 . 16190 1
29 . 1 1 29 29 LEU HD21 H 1 0.9270 0.01 . 2 . . . . 29 LEU HD21 . 16190 1
30 . 1 1 29 29 LEU HD22 H 1 0.9270 0.01 . 2 . . . . 29 LEU HD21 . 16190 1
31 . 1 1 29 29 LEU HD23 H 1 0.9270 0.01 . 2 . . . . 29 LEU HD21 . 16190 1
32 . 1 1 29 29 LEU CD2 C 13 24.9200 0.2 . 2 . . . . 29 LEU CD2 . 16190 1
33 . 1 1 31 31 ALA HB1 H 1 1.5480 0.01 . 1 . . . . 31 ALA HB1 . 16190 1
34 . 1 1 31 31 ALA HB2 H 1 1.5480 0.01 . 1 . . . . 31 ALA HB1 . 16190 1
35 . 1 1 31 31 ALA HB3 H 1 1.5480 0.01 . 1 . . . . 31 ALA HB1 . 16190 1
36 . 1 1 31 31 ALA CB C 13 19.5280 0.2 . 1 . . . . 31 ALA CB . 16190 1
37 . 1 1 36 36 ILE HD11 H 1 0.6810 0.01 . 1 . . . . 36 ILE HD11 . 16190 1
38 . 1 1 36 36 ILE HD12 H 1 0.6810 0.01 . 1 . . . . 36 ILE HD11 . 16190 1
39 . 1 1 36 36 ILE HD13 H 1 0.6810 0.01 . 1 . . . . 36 ILE HD11 . 16190 1
40 . 1 1 36 36 ILE CD1 C 13 14.9910 0.2 . 1 . . . . 36 ILE CD1 . 16190 1
41 . 1 1 44 44 VAL HG11 H 1 0.6670 0.01 . 2 . . . . 44 VAL HG11 . 16190 1
42 . 1 1 44 44 VAL HG12 H 1 0.6670 0.01 . 2 . . . . 44 VAL HG11 . 16190 1
43 . 1 1 44 44 VAL HG13 H 1 0.6670 0.01 . 2 . . . . 44 VAL HG11 . 16190 1
44 . 1 1 44 44 VAL HG21 H 1 0.3890 0.01 . 2 . . . . 44 VAL HG21 . 16190 1
45 . 1 1 44 44 VAL HG22 H 1 0.3890 0.01 . 2 . . . . 44 VAL HG21 . 16190 1
46 . 1 1 44 44 VAL HG23 H 1 0.3890 0.01 . 2 . . . . 44 VAL HG21 . 16190 1
47 . 1 1 44 44 VAL CG1 C 13 21.2760 0.2 . 2 . . . . 44 VAL CG1 . 16190 1
48 . 1 1 44 44 VAL CG2 C 13 21.5570 0.2 . 2 . . . . 44 VAL CG2 . 16190 1
49 . 1 1 45 45 MET HE1 H 1 1.7310 0.01 . 1 . . . . 45 MET HE1 . 16190 1
50 . 1 1 45 45 MET HE2 H 1 1.7310 0.01 . 1 . . . . 45 MET HE1 . 16190 1
51 . 1 1 45 45 MET HE3 H 1 1.7310 0.01 . 1 . . . . 45 MET HE1 . 16190 1
52 . 1 1 45 45 MET CE C 13 17.8060 0.2 . 1 . . . . 45 MET CE . 16190 1
53 . 1 1 57 57 LEU HD21 H 1 0.8530 0.01 . 2 . . . . 57 LEU HD21 . 16190 1
54 . 1 1 57 57 LEU HD22 H 1 0.8530 0.01 . 2 . . . . 57 LEU HD21 . 16190 1
55 . 1 1 57 57 LEU HD23 H 1 0.8530 0.01 . 2 . . . . 57 LEU HD21 . 16190 1
56 . 1 1 57 57 LEU CD2 C 13 25.2100 0.2 . 2 . . . . 57 LEU CD2 . 16190 1
57 . 1 1 60 60 MET HE1 H 1 1.8300 0.01 . 1 . . . . 60 MET HE1 . 16190 1
58 . 1 1 60 60 MET HE2 H 1 1.8300 0.01 . 1 . . . . 60 MET HE1 . 16190 1
59 . 1 1 60 60 MET HE3 H 1 1.8300 0.01 . 1 . . . . 60 MET HE1 . 16190 1
60 . 1 1 60 60 MET CE C 13 17.2500 0.2 . 1 . . . . 60 MET CE . 16190 1
61 . 1 1 61 61 ILE HG21 H 1 0.8330 0.01 . 1 . . . . 61 ILE HG21 . 16190 1
62 . 1 1 61 61 ILE HG22 H 1 0.8330 0.01 . 1 . . . . 61 ILE HG21 . 16190 1
63 . 1 1 61 61 ILE HG23 H 1 0.8330 0.01 . 1 . . . . 61 ILE HG21 . 16190 1
64 . 1 1 61 61 ILE CG2 C 13 16.4660 0.2 . 1 . . . . 61 ILE CG2 . 16190 1
65 . 1 1 71 71 THR HG21 H 1 1.2650 0.01 . 1 . . . . 71 THR HG21 . 16190 1
66 . 1 1 71 71 THR HG22 H 1 1.2650 0.01 . 1 . . . . 71 THR HG21 . 16190 1
67 . 1 1 71 71 THR HG23 H 1 1.2650 0.01 . 1 . . . . 71 THR HG21 . 16190 1
68 . 1 1 71 71 THR CG2 C 13 22.5630 0.2 . 1 . . . . 71 THR CG2 . 16190 1
69 . 1 1 72 72 VAL HG11 H 1 0.7150 0.01 . 2 . . . . 72 VAL HG11 . 16190 1
70 . 1 1 72 72 VAL HG12 H 1 0.7150 0.01 . 2 . . . . 72 VAL HG11 . 16190 1
71 . 1 1 72 72 VAL HG13 H 1 0.7150 0.01 . 2 . . . . 72 VAL HG11 . 16190 1
72 . 1 1 72 72 VAL CG1 C 13 22.7070 0.2 . 2 . . . . 72 VAL CG1 . 16190 1
73 . 1 1 78 78 LEU HD21 H 1 0.6320 0.01 . 2 . . . . 78 LEU HD21 . 16190 1
74 . 1 1 78 78 LEU HD22 H 1 0.6320 0.01 . 2 . . . . 78 LEU HD21 . 16190 1
75 . 1 1 78 78 LEU HD23 H 1 0.6320 0.01 . 2 . . . . 78 LEU HD21 . 16190 1
76 . 1 1 78 78 LEU CD2 C 13 25.7410 0.2 . 2 . . . . 78 LEU CD2 . 16190 1
77 . 1 1 81 81 MET HE1 H 1 1.3870 0.01 . 1 . . . . 81 MET HE1 . 16190 1
78 . 1 1 81 81 MET HE2 H 1 1.3870 0.01 . 1 . . . . 81 MET HE1 . 16190 1
79 . 1 1 81 81 MET HE3 H 1 1.3870 0.01 . 1 . . . . 81 MET HE1 . 16190 1
80 . 1 1 81 81 MET CE C 13 17.3710 0.2 . 1 . . . . 81 MET CE . 16190 1
81 . 1 1 82 82 VAL HG21 H 1 1.1100 0.01 . 2 . . . . 82 VAL HG21 . 16190 1
82 . 1 1 82 82 VAL HG22 H 1 1.1100 0.01 . 2 . . . . 82 VAL HG21 . 16190 1
83 . 1 1 82 82 VAL HG23 H 1 1.1100 0.01 . 2 . . . . 82 VAL HG21 . 16190 1
84 . 1 1 82 82 VAL CG2 C 13 22.1950 0.2 . 2 . . . . 82 VAL CG2 . 16190 1
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save_