Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1660
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 1660 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 10 10 HIS HD2 H 1 6.67 0.02 . 1 . . . . . . . . 1660 1
2 . 1 1 10 10 HIS HE1 H 1 7.7 0.02 . 1 . . . . . . . . 1660 1
3 . 1 1 11 11 PHE HD1 H 1 6.77 0.02 . 1 . . . . . . . . 1660 1
4 . 1 1 11 11 PHE HD2 H 1 6.77 0.02 . 1 . . . . . . . . 1660 1
5 . 1 1 11 11 PHE HE1 H 1 6.72 0.02 . 1 . . . . . . . . 1660 1
6 . 1 1 11 11 PHE HE2 H 1 6.72 0.02 . 1 . . . . . . . . 1660 1
7 . 1 1 11 11 PHE HZ H 1 6.85 0.02 . 1 . . . . . . . . 1660 1
8 . 1 1 20 20 THR HA H 1 4.98 0.02 . 1 . . . . . . . . 1660 1
9 . 1 1 20 20 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 1660 1
10 . 1 1 20 20 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 1660 1
11 . 1 1 20 20 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 1660 1
12 . 1 1 20 20 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 1660 1
13 . 1 1 21 21 THR HA H 1 4.98 0.02 . 1 . . . . . . . . 1660 1
14 . 1 1 21 21 THR HB H 1 3.86 0.02 . 1 . . . . . . . . 1660 1
15 . 1 1 21 21 THR HG21 H 1 1.21 0.02 . 1 . . . . . . . . 1660 1
16 . 1 1 21 21 THR HG22 H 1 1.21 0.02 . 1 . . . . . . . . 1660 1
17 . 1 1 21 21 THR HG23 H 1 1.21 0.02 . 1 . . . . . . . . 1660 1
18 . 1 1 23 23 GLY HA2 H 1 4.58 0.02 . 2 . . . . . . . . 1660 1
19 . 1 1 23 23 GLY HA3 H 1 3.58 0.02 . 2 . . . . . . . . 1660 1
20 . 1 1 25 25 ILE HA H 1 3.36 0.02 . 1 . . . . . . . . 1660 1
21 . 1 1 25 25 ILE HB H 1 1.78 0.02 . 1 . . . . . . . . 1660 1
22 . 1 1 25 25 ILE HG12 H 1 1.57 0.02 . 2 . . . . . . . . 1660 1
23 . 1 1 25 25 ILE HG13 H 1 .98 0.02 . 2 . . . . . . . . 1660 1
24 . 1 1 25 25 ILE HG21 H 1 .87 0.02 . 1 . . . . . . . . 1660 1
25 . 1 1 25 25 ILE HG22 H 1 .87 0.02 . 1 . . . . . . . . 1660 1
26 . 1 1 25 25 ILE HG23 H 1 .87 0.02 . 1 . . . . . . . . 1660 1
27 . 1 1 25 25 ILE HD11 H 1 .69 0.02 . 1 . . . . . . . . 1660 1
28 . 1 1 25 25 ILE HD12 H 1 .69 0.02 . 1 . . . . . . . . 1660 1
29 . 1 1 25 25 ILE HD13 H 1 .69 0.02 . 1 . . . . . . . . 1660 1
30 . 1 1 26 26 GLY HA2 H 1 3.58 0.02 . 2 . . . . . . . . 1660 1
31 . 1 1 26 26 GLY HA3 H 1 4.58 0.02 . 2 . . . . . . . . 1660 1
32 . 1 1 34 34 VAL HA H 1 3.8 0.02 . 1 . . . . . . . . 1660 1
33 . 1 1 34 34 VAL HB H 1 2.21 0.02 . 1 . . . . . . . . 1660 1
34 . 1 1 34 34 VAL HG11 H 1 1 0.02 . 2 . . . . . . . . 1660 1
35 . 1 1 34 34 VAL HG12 H 1 1 0.02 . 2 . . . . . . . . 1660 1
36 . 1 1 34 34 VAL HG13 H 1 1 0.02 . 2 . . . . . . . . 1660 1
37 . 1 1 34 34 VAL HG21 H 1 1.17 0.02 . 2 . . . . . . . . 1660 1
38 . 1 1 34 34 VAL HG22 H 1 1.17 0.02 . 2 . . . . . . . . 1660 1
39 . 1 1 34 34 VAL HG23 H 1 1.17 0.02 . 2 . . . . . . . . 1660 1
40 . 1 1 59 59 PHE HD1 H 1 7.56 0.02 . 1 . . . . . . . . 1660 1
41 . 1 1 59 59 PHE HD2 H 1 7.56 0.02 . 1 . . . . . . . . 1660 1
42 . 1 1 59 59 PHE HE1 H 1 7.12 0.02 . 1 . . . . . . . . 1660 1
43 . 1 1 59 59 PHE HE2 H 1 7.12 0.02 . 1 . . . . . . . . 1660 1
44 . 1 1 59 59 PHE HZ H 1 6.95 0.02 . 1 . . . . . . . . 1660 1
45 . 1 1 62 62 HIS HD2 H 1 7.04 0.02 . 1 . . . . . . . . 1660 1
46 . 1 1 62 62 HIS HE1 H 1 7.87 0.02 . 1 . . . . . . . . 1660 1
47 . 1 1 64 64 PHE HD1 H 1 6.94 0.02 . 1 . . . . . . . . 1660 1
48 . 1 1 64 64 PHE HD2 H 1 6.94 0.02 . 1 . . . . . . . . 1660 1
49 . 1 1 64 64 PHE HE1 H 1 7.24 0.02 . 1 . . . . . . . . 1660 1
50 . 1 1 64 64 PHE HE2 H 1 7.24 0.02 . 1 . . . . . . . . 1660 1
51 . 1 1 64 64 PHE HZ H 1 7.44 0.02 . 1 . . . . . . . . 1660 1
52 . 1 1 82 82 TYR HA H 1 4.53 0.02 . 1 . . . . . . . . 1660 1
53 . 1 1 82 82 TYR HB2 H 1 3.09 0.02 . 2 . . . . . . . . 1660 1
54 . 1 1 82 82 TYR HB3 H 1 2.92 0.02 . 2 . . . . . . . . 1660 1
55 . 1 1 82 82 TYR HD1 H 1 7.13 0.02 . 1 . . . . . . . . 1660 1
56 . 1 1 82 82 TYR HD2 H 1 7.13 0.02 . 1 . . . . . . . . 1660 1
57 . 1 1 82 82 TYR HE1 H 1 6.81 0.02 . 1 . . . . . . . . 1660 1
58 . 1 1 82 82 TYR HE2 H 1 6.81 0.02 . 1 . . . . . . . . 1660 1
59 . 1 1 104 104 THR HA H 1 5.46 0.02 . 1 . . . . . . . . 1660 1
60 . 1 1 104 104 THR HB H 1 3.76 0.02 . 1 . . . . . . . . 1660 1
61 . 1 1 104 104 THR HG21 H 1 1.01 0.02 . 1 . . . . . . . . 1660 1
62 . 1 1 104 104 THR HG22 H 1 1.01 0.02 . 1 . . . . . . . . 1660 1
63 . 1 1 104 104 THR HG23 H 1 1.01 0.02 . 1 . . . . . . . . 1660 1
64 . 1 1 114 114 ALA HA H 1 4.31 0.02 . 1 . . . . . . . . 1660 1
65 . 1 1 114 114 ALA HB1 H 1 1.39 0.02 . 1 . . . . . . . . 1660 1
66 . 1 1 114 114 ALA HB2 H 1 1.39 0.02 . 1 . . . . . . . . 1660 1
67 . 1 1 114 114 ALA HB3 H 1 1.39 0.02 . 1 . . . . . . . . 1660 1
68 . 1 1 118 118 ILE HA H 1 4.2 0.02 . 1 . . . . . . . . 1660 1
69 . 1 1 118 118 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 1660 1
70 . 1 1 118 118 ILE HG12 H 1 1.19 0.02 . 2 . . . . . . . . 1660 1
71 . 1 1 118 118 ILE HG13 H 1 1.46 0.02 . 2 . . . . . . . . 1660 1
72 . 1 1 118 118 ILE HG21 H 1 .92 0.02 . 1 . . . . . . . . 1660 1
73 . 1 1 118 118 ILE HG22 H 1 .92 0.02 . 1 . . . . . . . . 1660 1
74 . 1 1 118 118 ILE HG23 H 1 .92 0.02 . 1 . . . . . . . . 1660 1
75 . 1 1 118 118 ILE HD11 H 1 .88 0.02 . 1 . . . . . . . . 1660 1
76 . 1 1 118 118 ILE HD12 H 1 .88 0.02 . 1 . . . . . . . . 1660 1
77 . 1 1 118 118 ILE HD13 H 1 .88 0.02 . 1 . . . . . . . . 1660 1
78 . 1 1 127 127 ILE HA H 1 4.2 0.02 . 1 . . . . . . . . 1660 1
79 . 1 1 127 127 ILE HB H 1 1.89 0.02 . 1 . . . . . . . . 1660 1
80 . 1 1 127 127 ILE HG12 H 1 1.19 0.02 . 2 . . . . . . . . 1660 1
81 . 1 1 127 127 ILE HG13 H 1 1.46 0.02 . 2 . . . . . . . . 1660 1
82 . 1 1 127 127 ILE HG21 H 1 .92 0.02 . 1 . . . . . . . . 1660 1
83 . 1 1 127 127 ILE HG22 H 1 .92 0.02 . 1 . . . . . . . . 1660 1
84 . 1 1 127 127 ILE HG23 H 1 .92 0.02 . 1 . . . . . . . . 1660 1
85 . 1 1 127 127 ILE HD11 H 1 .88 0.02 . 1 . . . . . . . . 1660 1
86 . 1 1 127 127 ILE HD12 H 1 .88 0.02 . 1 . . . . . . . . 1660 1
87 . 1 1 127 127 ILE HD13 H 1 .88 0.02 . 1 . . . . . . . . 1660 1
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save_