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 1826
_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 . 1826 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 PHE H H 1 8.98 . . 1 . . . . . . . . 1826 1
2 . 1 1 2 2 PHE HA H 1 4.89 . . 1 . . . . . . . . 1826 1
3 . 1 1 2 2 PHE HB2 H 1 3.38 . . 2 . . . . . . . . 1826 1
4 . 1 1 2 2 PHE HB3 H 1 3.15 . . 2 . . . . . . . . 1826 1
5 . 1 1 3 3 ILE H H 1 8.22 . . 1 . . . . . . . . 1826 1
6 . 1 1 3 3 ILE HA H 1 3.71 . . 1 . . . . . . . . 1826 1
7 . 1 1 3 3 ILE HB H 1 1.82 . . 1 . . . . . . . . 1826 1
8 . 1 1 3 3 ILE HG12 H 1 1.56 . . 2 . . . . . . . . 1826 1
9 . 1 1 3 3 ILE HG13 H 1 1.1 . . 2 . . . . . . . . 1826 1
10 . 1 1 3 3 ILE HG21 H 1 .86 . . 1 . . . . . . . . 1826 1
11 . 1 1 3 3 ILE HG22 H 1 .86 . . 1 . . . . . . . . 1826 1
12 . 1 1 3 3 ILE HG23 H 1 .86 . . 1 . . . . . . . . 1826 1
13 . 1 1 3 3 ILE HD11 H 1 .89 . . 1 . . . . . . . . 1826 1
14 . 1 1 3 3 ILE HD12 H 1 .89 . . 1 . . . . . . . . 1826 1
15 . 1 1 3 3 ILE HD13 H 1 .89 . . 1 . . . . . . . . 1826 1
16 . 1 1 4 4 GLY H H 1 8.28 . . 1 . . . . . . . . 1826 1
17 . 1 1 4 4 GLY HA2 H 1 4.42 . . 2 . . . . . . . . 1826 1
18 . 1 1 4 4 GLY HA3 H 1 3.33 . . 2 . . . . . . . . 1826 1
19 . 1 1 5 5 TRP H H 1 8.88 . . 1 . . . . . . . . 1826 1
20 . 1 1 5 5 TRP HA H 1 5.27 . . 1 . . . . . . . . 1826 1
21 . 1 1 5 5 TRP HB2 H 1 3.3 . . 2 . . . . . . . . 1826 1
22 . 1 1 5 5 TRP HB3 H 1 3.08 . . 2 . . . . . . . . 1826 1
23 . 1 1 6 6 GLY H H 1 7.56 . . 1 . . . . . . . . 1826 1
24 . 1 1 6 6 GLY HA2 H 1 4.31 . . 2 . . . . . . . . 1826 1
25 . 1 1 6 6 GLY HA3 H 1 3.62 . . 2 . . . . . . . . 1826 1
26 . 1 1 7 7 ASN H H 1 7.99 . . 1 . . . . . . . . 1826 1
27 . 1 1 7 7 ASN HA H 1 4.96 . . 1 . . . . . . . . 1826 1
28 . 1 1 7 7 ASN HB2 H 1 3 . . 2 . . . . . . . . 1826 1
29 . 1 1 7 7 ASN HB3 H 1 2.64 . . 2 . . . . . . . . 1826 1
30 . 1 1 9 9 ILE H H 1 8.13 . . 1 . . . . . . . . 1826 1
31 . 1 1 9 9 ILE HA H 1 3.84 . . 1 . . . . . . . . 1826 1
32 . 1 1 9 9 ILE HB H 1 1.57 . . 1 . . . . . . . . 1826 1
33 . 1 1 9 9 ILE HG12 H 1 1 . . 2 . . . . . . . . 1826 1
34 . 1 1 9 9 ILE HG13 H 1 .88 . . 2 . . . . . . . . 1826 1
35 . 1 1 9 9 ILE HG21 H 1 .37 . . 1 . . . . . . . . 1826 1
36 . 1 1 9 9 ILE HG22 H 1 .37 . . 1 . . . . . . . . 1826 1
37 . 1 1 9 9 ILE HG23 H 1 .37 . . 1 . . . . . . . . 1826 1
38 . 1 1 9 9 ILE HD11 H 1 .7 . . 1 . . . . . . . . 1826 1
39 . 1 1 9 9 ILE HD12 H 1 .7 . . 1 . . . . . . . . 1826 1
40 . 1 1 9 9 ILE HD13 H 1 .7 . . 1 . . . . . . . . 1826 1
41 . 1 1 10 10 PHE HB2 H 1 3.72 . . 2 . . . . . . . . 1826 1
42 . 1 1 10 10 PHE HB3 H 1 2.66 . . 2 . . . . . . . . 1826 1
43 . 1 1 11 11 GLY H H 1 8.785 . . 1 . . . . . . . . 1826 1
44 . 1 1 11 11 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 1826 1
45 . 1 1 11 11 GLY HA3 H 1 3.99 . . 2 . . . . . . . . 1826 1
46 . 1 1 12 12 HIS H H 1 7.55 . . 1 . . . . . . . . 1826 1
47 . 1 1 12 12 HIS HA H 1 5.33 . . 1 . . . . . . . . 1826 1
48 . 1 1 12 12 HIS HB2 H 1 4.24 . . 2 . . . . . . . . 1826 1
49 . 1 1 12 12 HIS HB3 H 1 2.5 . . 2 . . . . . . . . 1826 1
50 . 1 1 13 13 TYR H H 1 7.91 . . 1 . . . . . . . . 1826 1
51 . 1 1 13 13 TYR HA H 1 4.33 . . 1 . . . . . . . . 1826 1
52 . 1 1 13 13 TYR HB2 H 1 3.02 . . 2 . . . . . . . . 1826 1
53 . 1 1 13 13 TYR HB3 H 1 2.83 . . 2 . . . . . . . . 1826 1
54 . 1 1 14 14 SER H H 1 8.36 . . 1 . . . . . . . . 1826 1
55 . 1 1 14 14 SER HA H 1 4.51 . . 1 . . . . . . . . 1826 1
56 . 1 1 14 14 SER HB2 H 1 3.92 . . 2 . . . . . . . . 1826 1
57 . 1 1 14 14 SER HB3 H 1 3.74 . . 2 . . . . . . . . 1826 1
58 . 1 1 15 15 GLY H H 1 6.17 . . 1 . . . . . . . . 1826 1
59 . 1 1 15 15 GLY HA2 H 1 4.07 . . 2 . . . . . . . . 1826 1
60 . 1 1 15 15 GLY HA3 H 1 3.54 . . 2 . . . . . . . . 1826 1
61 . 1 1 16 16 ASP H H 1 8.11 . . 1 . . . . . . . . 1826 1
62 . 1 1 16 16 ASP HA H 1 4.65 . . 1 . . . . . . . . 1826 1
63 . 1 1 16 16 ASP HB2 H 1 2.79 . . 2 . . . . . . . . 1826 1
64 . 1 1 16 16 ASP HB3 H 1 2.62 . . 2 . . . . . . . . 1826 1
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save_