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 750
_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 . 750 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 TYR HA H 1 4.4 . . 1 . . . . . . . . 750 1
2 . 1 1 10 10 TYR HD1 H 1 7.16 . . 1 . . . . . . . . 750 1
3 . 1 1 10 10 TYR HD2 H 1 7.16 . . 1 . . . . . . . . 750 1
4 . 1 1 10 10 TYR HE1 H 1 6.82 . . 1 . . . . . . . . 750 1
5 . 1 1 10 10 TYR HE2 H 1 6.82 . . 1 . . . . . . . . 750 1
6 . 1 1 23 23 PHE HD1 H 1 6.74 . . 1 . . . . . . . . 750 1
7 . 1 1 23 23 PHE HD2 H 1 6.74 . . 1 . . . . . . . . 750 1
8 . 1 1 23 23 PHE HE1 H 1 7.1 . . 1 . . . . . . . . 750 1
9 . 1 1 23 23 PHE HE2 H 1 7.1 . . 1 . . . . . . . . 750 1
10 . 1 1 23 23 PHE HZ H 1 7.33 . . 1 . . . . . . . . 750 1
11 . 1 1 72 72 PHE HD1 H 1 6.7 . . 1 . . . . . . . . 750 1
12 . 1 1 72 72 PHE HD2 H 1 6.7 . . 1 . . . . . . . . 750 1
13 . 1 1 72 72 PHE HE1 H 1 7.11 . . 1 . . . . . . . . 750 1
14 . 1 1 72 72 PHE HE2 H 1 7.11 . . 1 . . . . . . . . 750 1
15 . 1 1 72 72 PHE HZ H 1 7.43 . . 1 . . . . . . . . 750 1
16 . 1 1 99 99 PHE HA H 1 3.36 . . 1 . . . . . . . . 750 1
17 . 1 1 99 99 PHE HB2 H 1 3.18 . . 2 . . . . . . . . 750 1
18 . 1 1 99 99 PHE HB3 H 1 2.84 . . 2 . . . . . . . . 750 1
19 . 1 1 99 99 PHE HD1 H 1 6.47 . . 1 . . . . . . . . 750 1
20 . 1 1 99 99 PHE HD2 H 1 6.47 . . 1 . . . . . . . . 750 1
21 . 1 1 99 99 PHE HE1 H 1 6.95 . . 1 . . . . . . . . 750 1
22 . 1 1 99 99 PHE HE2 H 1 6.95 . . 1 . . . . . . . . 750 1
23 . 1 1 99 99 PHE HZ H 1 7.25 . . 1 . . . . . . . . 750 1
24 . 1 1 105 105 ASN HA H 1 4.99 . . 1 . . . . . . . . 750 1
25 . 1 1 105 105 ASN HB2 H 1 3.29 . . 2 . . . . . . . . 750 1
26 . 1 1 105 105 ASN HB3 H 1 2.58 . . 2 . . . . . . . . 750 1
27 . 1 1 106 106 ALA HA H 1 4.94 . . 1 . . . . . . . . 750 1
28 . 1 1 106 106 ALA HB1 H 1 1.86 . . 1 . . . . . . . . 750 1
29 . 1 1 106 106 ALA HB2 H 1 1.86 . . 1 . . . . . . . . 750 1
30 . 1 1 106 106 ALA HB3 H 1 1.86 . . 1 . . . . . . . . 750 1
31 . 1 1 107 107 ASP HA H 1 4.49 . . 1 . . . . . . . . 750 1
32 . 1 1 107 107 ASP HB2 H 1 3.08 . . 2 . . . . . . . . 750 1
33 . 1 1 107 107 ASP HB3 H 1 2.67 . . 2 . . . . . . . . 750 1
34 . 1 1 108 108 GLY HA2 H 1 4 . . 2 . . . . . . . . 750 1
35 . 1 1 108 108 GLY HA3 H 1 3.41 . . 2 . . . . . . . . 750 1
36 . 1 1 109 109 TYR HA H 1 5.29 . . 1 . . . . . . . . 750 1
37 . 1 1 109 109 TYR HB2 H 1 3.35 . . 2 . . . . . . . . 750 1
38 . 1 1 109 109 TYR HB3 H 1 2.9 . . 2 . . . . . . . . 750 1
39 . 1 1 109 109 TYR HD1 H 1 6.76 . . 1 . . . . . . . . 750 1
40 . 1 1 109 109 TYR HD2 H 1 6.76 . . 1 . . . . . . . . 750 1
41 . 1 1 109 109 TYR HE1 H 1 6.86 . . 1 . . . . . . . . 750 1
42 . 1 1 109 109 TYR HE2 H 1 6.86 . . 1 . . . . . . . . 750 1
43 . 1 1 110 110 ILE HA H 1 5.05 . . 1 . . . . . . . . 750 1
44 . 1 1 110 110 ILE HB H 1 1.93 . . 1 . . . . . . . . 750 1
45 . 1 1 110 110 ILE HG12 H 1 1.74 . . 2 . . . . . . . . 750 1
46 . 1 1 110 110 ILE HG13 H 1 .7 . . 2 . . . . . . . . 750 1
47 . 1 1 110 110 ILE HG21 H 1 .92 . . 1 . . . . . . . . 750 1
48 . 1 1 110 110 ILE HG22 H 1 .92 . . 1 . . . . . . . . 750 1
49 . 1 1 110 110 ILE HG23 H 1 .92 . . 1 . . . . . . . . 750 1
50 . 1 1 110 110 ILE HD11 H 1 .22 . . 1 . . . . . . . . 750 1
51 . 1 1 110 110 ILE HD12 H 1 .22 . . 1 . . . . . . . . 750 1
52 . 1 1 110 110 ILE HD13 H 1 .22 . . 1 . . . . . . . . 750 1
53 . 1 1 111 111 ASP HA H 1 4.47 . . 1 . . . . . . . . 750 1
54 . 1 1 111 111 ASP HB2 H 1 3.08 . . 2 . . . . . . . . 750 1
55 . 1 1 111 111 ASP HB3 H 1 2.75 . . 2 . . . . . . . . 750 1
56 . 1 1 125 125 HIS HA H 1 4.59 . . 1 . . . . . . . . 750 1
57 . 1 1 125 125 HIS HB2 H 1 3.02 . . 1 . . . . . . . . 750 1
58 . 1 1 125 125 HIS HB3 H 1 3.02 . . 1 . . . . . . . . 750 1
59 . 1 1 125 125 HIS HD2 H 1 7.02 . . 1 . . . . . . . . 750 1
60 . 1 1 125 125 HIS HE1 H 1 7.91 . . 1 . . . . . . . . 750 1
61 . 1 1 144 144 GLY HA2 H 1 4.06 . . 2 . . . . . . . . 750 1
62 . 1 1 144 144 GLY HA3 H 1 3.53 . . 2 . . . . . . . . 750 1
63 . 1 1 145 145 ARG HA H 1 4.72 . . 1 . . . . . . . . 750 1
64 . 1 1 145 145 ARG HB2 H 1 3.29 . . 1 . . . . . . . . 750 1
65 . 1 1 145 145 ARG HB3 H 1 3.29 . . 1 . . . . . . . . 750 1
66 . 1 1 146 146 ILE HA H 1 5.39 . . 1 . . . . . . . . 750 1
67 . 1 1 146 146 ILE HB H 1 2.57 . . 1 . . . . . . . . 750 1
68 . 1 1 146 146 ILE HG12 H 1 2.44 . . 2 . . . . . . . . 750 1
69 . 1 1 146 146 ILE HG13 H 1 1.86 . . 2 . . . . . . . . 750 1
70 . 1 1 146 146 ILE HG21 H 1 1.31 . . 1 . . . . . . . . 750 1
71 . 1 1 146 146 ILE HG22 H 1 1.31 . . 1 . . . . . . . . 750 1
72 . 1 1 146 146 ILE HG23 H 1 1.31 . . 1 . . . . . . . . 750 1
73 . 1 1 146 146 ILE HD11 H 1 .89 . . 1 . . . . . . . . 750 1
74 . 1 1 146 146 ILE HD12 H 1 .89 . . 1 . . . . . . . . 750 1
75 . 1 1 146 146 ILE HD13 H 1 .89 . . 1 . . . . . . . . 750 1
76 . 1 1 148 148 PHE HA H 1 3.6 . . 1 . . . . . . . . 750 1
77 . 1 1 148 148 PHE HB2 H 1 2.62 . . 2 . . . . . . . . 750 1
78 . 1 1 148 148 PHE HB3 H 1 2.28 . . 2 . . . . . . . . 750 1
79 . 1 1 148 148 PHE HD1 H 1 6.59 . . 1 . . . . . . . . 750 1
80 . 1 1 148 148 PHE HD2 H 1 6.59 . . 1 . . . . . . . . 750 1
81 . 1 1 148 148 PHE HE1 H 1 7.18 . . 1 . . . . . . . . 750 1
82 . 1 1 148 148 PHE HE2 H 1 7.18 . . 1 . . . . . . . . 750 1
83 . 1 1 148 148 PHE HZ H 1 7.33 . . 1 . . . . . . . . 750 1
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save_