Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 11554
_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_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_Assigned_chem_shift_list.Chem_shift_13C_err 0.1
_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 'spectral resolution'
_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 1H-1H TOCSY' 1 $sample_1 isotropic 11554 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 11554 1
4 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 11554 1
5 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 11554 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 2 2 LEU HA H 1 4.108 0.01 . . . . . A 2 LEU HA . 11554 1
2 . 1 1 2 2 LEU HB2 H 1 1.709 0.01 . . . . . A 2 LEU HB2 . 11554 1
3 . 1 1 2 2 LEU HD11 H 1 0.991 0.01 . . . . . A 2 LEU HD11 . 11554 1
4 . 1 1 2 2 LEU HD12 H 1 0.991 0.01 . . . . . A 2 LEU HD12 . 11554 1
5 . 1 1 2 2 LEU HD13 H 1 0.991 0.01 . . . . . A 2 LEU HD13 . 11554 1
6 . 1 1 2 2 LEU HD21 H 1 0.91 0.01 . . . . . A 2 LEU HD21 . 11554 1
7 . 1 1 2 2 LEU HD22 H 1 0.91 0.01 . . . . . A 2 LEU HD22 . 11554 1
8 . 1 1 2 2 LEU HD23 H 1 0.91 0.01 . . . . . A 2 LEU HD23 . 11554 1
9 . 1 1 3 3 LEU H H 1 8.935 0.01 . . . . . A 3 LEU H . 11554 1
10 . 1 1 3 3 LEU HA H 1 4.014 0.01 . . . . . A 3 LEU HA . 11554 1
11 . 1 1 3 3 LEU HB2 H 1 1.732 0.01 . . . . . A 3 LEU HB2 . 11554 1
12 . 1 1 3 3 LEU HB3 H 1 1.63 0.01 . . . . . A 3 LEU HB3 . 11554 1
13 . 1 1 3 3 LEU HD11 H 1 0.936 0.01 . . . . . A 3 LEU HD11 . 11554 1
14 . 1 1 3 3 LEU HD12 H 1 0.936 0.01 . . . . . A 3 LEU HD12 . 11554 1
15 . 1 1 3 3 LEU HD13 H 1 0.936 0.01 . . . . . A 3 LEU HD13 . 11554 1
16 . 1 1 3 3 LEU HD21 H 1 0.881 0.01 . . . . . A 3 LEU HD21 . 11554 1
17 . 1 1 3 3 LEU HD22 H 1 0.881 0.01 . . . . . A 3 LEU HD22 . 11554 1
18 . 1 1 3 3 LEU HD23 H 1 0.881 0.01 . . . . . A 3 LEU HD23 . 11554 1
19 . 1 1 4 4 LYS H H 1 7.984 0.01 . . . . . A 4 LYS H . 11554 1
20 . 1 1 4 4 LYS HA H 1 3.897 0.01 . . . . . A 4 LYS HA . 11554 1
21 . 1 1 4 4 LYS HB2 H 1 1.825 0.01 . . . . . A 4 LYS HB2 . 11554 1
22 . 1 1 4 4 LYS HB3 H 1 1.778 0.01 . . . . . A 4 LYS HB3 . 11554 1
23 . 1 1 4 4 LYS HG2 H 1 1.409 0.01 . . . . . A 4 LYS HG2 . 11554 1
24 . 1 1 4 4 LYS HG3 H 1 1.306 0.01 . . . . . A 4 LYS HG3 . 11554 1
25 . 1 1 4 4 LYS HD2 H 1 1.621 0.01 . . . . . A 4 LYS HD2 . 11554 1
26 . 1 1 4 4 LYS HD3 H 1 1.621 0.01 . . . . . A 4 LYS HD3 . 11554 1
27 . 1 1 4 4 LYS HE2 H 1 2.878 0.01 . . . . . A 4 LYS HE2 . 11554 1
28 . 1 1 4 4 LYS HE3 H 1 2.878 0.01 . . . . . A 4 LYS HE3 . 11554 1
29 . 1 1 5 5 PHE H H 1 7.876 0.01 . . . . . A 5 PHE H . 11554 1
30 . 1 1 5 5 PHE HA H 1 4.405 0.01 . . . . . A 5 PHE HA . 11554 1
31 . 1 1 5 5 PHE HB2 H 1 3.312 0.01 . . . . . A 5 PHE HB2 . 11554 1
32 . 1 1 5 5 PHE HB3 H 1 3.248 0.01 . . . . . A 5 PHE HB3 . 11554 1
33 . 1 1 5 5 PHE HD1 H 1 7.163 0.01 . . . . . A 5 PHE HD1 . 11554 1
34 . 1 1 5 5 PHE HD2 H 1 7.163 0.01 . . . . . A 5 PHE HD2 . 11554 1
35 . 1 1 5 5 PHE HE1 H 1 7.213 0.01 . . . . . A 5 PHE HE1 . 11554 1
36 . 1 1 5 5 PHE HE2 H 1 7.213 0.01 . . . . . A 5 PHE HE2 . 11554 1
37 . 1 1 5 5 PHE HZ H 1 7.213 0.01 . . . . . A 5 PHE HZ . 11554 1
38 . 1 1 6 6 ILE H H 1 8.357 0.01 . . . . . A 6 ILE H . 11554 1
39 . 1 1 6 6 ILE HA H 1 3.577 0.01 . . . . . A 6 ILE HA . 11554 1
40 . 1 1 6 6 ILE HB H 1 2.04 0.01 . . . . . A 6 ILE HB . 11554 1
41 . 1 1 6 6 ILE HG12 H 1 1.819 0.01 . . . . . A 6 ILE HG12 . 11554 1
42 . 1 1 6 6 ILE HG13 H 1 1.313 0.01 . . . . . A 6 ILE HG13 . 11554 1
43 . 1 1 6 6 ILE HG21 H 1 0.882 0.01 . . . . . A 6 ILE HG21 . 11554 1
44 . 1 1 6 6 ILE HG22 H 1 0.882 0.01 . . . . . A 6 ILE HG22 . 11554 1
45 . 1 1 6 6 ILE HG23 H 1 0.882 0.01 . . . . . A 6 ILE HG23 . 11554 1
46 . 1 1 6 6 ILE HD11 H 1 0.833 0.01 . . . . . A 6 ILE HD11 . 11554 1
47 . 1 1 6 6 ILE HD12 H 1 0.833 0.01 . . . . . A 6 ILE HD12 . 11554 1
48 . 1 1 6 6 ILE HD13 H 1 0.833 0.01 . . . . . A 6 ILE HD13 . 11554 1
49 . 1 1 7 7 LYS H H 1 8.284 0.01 . . . . . A 7 LYS H . 11554 1
50 . 1 1 7 7 LYS HA H 1 3.795 0.01 . . . . . A 7 LYS HA . 11554 1
51 . 1 1 7 7 LYS HB2 H 1 1.893 0.01 . . . . . A 7 LYS HB2 . 11554 1
52 . 1 1 7 7 LYS HB3 H 1 1.843 0.01 . . . . . A 7 LYS HB3 . 11554 1
53 . 1 1 7 7 LYS HG2 H 1 1.351 0.01 . . . . . A 7 LYS HG2 . 11554 1
54 . 1 1 7 7 LYS HG3 H 1 1.583 0.01 . . . . . A 7 LYS HG3 . 11554 1
55 . 1 1 7 7 LYS HD2 H 1 1.632 0.01 . . . . . A 7 LYS HD2 . 11554 1
56 . 1 1 7 7 LYS HD3 H 1 1.632 0.01 . . . . . A 7 LYS HD3 . 11554 1
57 . 1 1 7 7 LYS HE2 H 1 2.86 0.01 . . . . . A 7 LYS HE2 . 11554 1
58 . 1 1 7 7 LYS HE3 H 1 2.86 0.01 . . . . . A 7 LYS HE3 . 11554 1
59 . 1 1 8 8 TRP H H 1 7.782 0.01 . . . . . A 8 TRP H . 11554 1
60 . 1 1 8 8 TRP HA H 1 4.155 0.01 . . . . . A 8 TRP HA . 11554 1
61 . 1 1 8 8 TRP HB2 H 1 3.265 0.01 . . . . . A 8 TRP HB2 . 11554 1
62 . 1 1 8 8 TRP HB3 H 1 3.536 0.01 . . . . . A 8 TRP HB3 . 11554 1
63 . 1 1 8 8 TRP HD1 H 1 7.266 0.01 . . . . . A 8 TRP HD1 . 11554 1
64 . 1 1 8 8 TRP HE3 H 1 7.247 0.01 . . . . . A 8 TRP HE3 . 11554 1
65 . 1 1 8 8 TRP HZ2 H 1 7.479 0.01 . . . . . A 8 TRP HZ2 . 11554 1
66 . 1 1 8 8 TRP HZ3 H 1 6.837 0.01 . . . . . A 8 TRP HZ3 . 11554 1
67 . 1 1 8 8 TRP HH2 H 1 7.069 0.01 . . . . . A 8 TRP HH2 . 11554 1
68 . 1 1 9 9 LEU H H 1 8.05 0.01 . . . . . A 9 LEU H . 11554 1
69 . 1 1 9 9 LEU HA H 1 3.148 0.01 . . . . . A 9 LEU HA . 11554 1
70 . 1 1 9 9 LEU HB2 H 1 1.538 0.01 . . . . . A 9 LEU HB2 . 11554 1
71 . 1 1 9 9 LEU HB3 H 1 1.428 0.01 . . . . . A 9 LEU HB3 . 11554 1
72 . 1 1 9 9 LEU HD11 H 1 0.717 0.01 . . . . . A 9 LEU HD11 . 11554 1
73 . 1 1 9 9 LEU HD12 H 1 0.717 0.01 . . . . . A 9 LEU HD12 . 11554 1
74 . 1 1 9 9 LEU HD13 H 1 0.717 0.01 . . . . . A 9 LEU HD13 . 11554 1
75 . 1 1 9 9 LEU HD21 H 1 0.717 0.01 . . . . . A 9 LEU HD21 . 11554 1
76 . 1 1 9 9 LEU HD22 H 1 0.717 0.01 . . . . . A 9 LEU HD22 . 11554 1
77 . 1 1 9 9 LEU HD23 H 1 0.717 0.01 . . . . . A 9 LEU HD23 . 11554 1
78 . 1 1 10 10 LEU H H 1 7.559 0.01 . . . . . A 10 LEU H . 11554 1
79 . 1 1 10 10 LEU HA H 1 3.961 0.01 . . . . . A 10 LEU HA . 11554 1
80 . 1 1 10 10 LEU HB2 H 1 1.652 0.01 . . . . . A 10 LEU HB2 . 11554 1
81 . 1 1 10 10 LEU HB3 H 1 1.493 0.01 . . . . . A 10 LEU HB3 . 11554 1
82 . 1 1 10 10 LEU HG H 1 1.761 0.01 . . . . . A 10 LEU HG . 11554 1
83 . 1 1 10 10 LEU HD11 H 1 0.78 0.01 . . . . . A 10 LEU HD11 . 11554 1
84 . 1 1 10 10 LEU HD12 H 1 0.78 0.01 . . . . . A 10 LEU HD12 . 11554 1
85 . 1 1 10 10 LEU HD13 H 1 0.78 0.01 . . . . . A 10 LEU HD13 . 11554 1
86 . 1 1 10 10 LEU HD21 H 1 0.748 0.01 . . . . . A 10 LEU HD21 . 11554 1
87 . 1 1 10 10 LEU HD22 H 1 0.748 0.01 . . . . . A 10 LEU HD22 . 11554 1
88 . 1 1 10 10 LEU HD23 H 1 0.748 0.01 . . . . . A 10 LEU HD23 . 11554 1
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save_