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 2457
_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 . 2457 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 4.06 . . 1 . . . . . . . . 2457 1
2 . 1 1 2 2 LEU HB2 H 1 1.73 . . 1 . . . . . . . . 2457 1
3 . 1 1 2 2 LEU HB3 H 1 1.73 . . 1 . . . . . . . . 2457 1
4 . 1 1 2 2 LEU HG H 1 1.65 . . 1 . . . . . . . . 2457 1
5 . 1 1 2 2 LEU HD11 H 1 .95 . . 1 . . . . . . . . 2457 1
6 . 1 1 2 2 LEU HD12 H 1 .95 . . 1 . . . . . . . . 2457 1
7 . 1 1 2 2 LEU HD13 H 1 .95 . . 1 . . . . . . . . 2457 1
8 . 1 1 2 2 LEU HD21 H 1 .95 . . 1 . . . . . . . . 2457 1
9 . 1 1 2 2 LEU HD22 H 1 .95 . . 1 . . . . . . . . 2457 1
10 . 1 1 2 2 LEU HD23 H 1 .95 . . 1 . . . . . . . . 2457 1
11 . 1 1 3 3 PHE H H 1 8.27 . . 1 . . . . . . . . 2457 1
12 . 1 1 3 3 PHE HA H 1 4.35 . . 1 . . . . . . . . 2457 1
13 . 1 1 3 3 PHE HB2 H 1 3.19 . . 2 . . . . . . . . 2457 1
14 . 1 1 3 3 PHE HB3 H 1 3.29 . . 2 . . . . . . . . 2457 1
15 . 1 1 3 3 PHE HD1 H 1 7.39 . . 1 . . . . . . . . 2457 1
16 . 1 1 3 3 PHE HD2 H 1 7.39 . . 1 . . . . . . . . 2457 1
17 . 1 1 3 3 PHE HE1 H 1 7.385 . . 1 . . . . . . . . 2457 1
18 . 1 1 3 3 PHE HE2 H 1 7.385 . . 1 . . . . . . . . 2457 1
19 . 1 1 3 3 PHE HZ H 1 7.385 . . 1 . . . . . . . . 2457 1
20 . 1 1 4 4 GLN H H 1 8.37 . . 1 . . . . . . . . 2457 1
21 . 1 1 4 4 GLN HA H 1 4.43 . . 1 . . . . . . . . 2457 1
22 . 1 1 4 4 GLN HB2 H 1 1.96 . . 2 . . . . . . . . 2457 1
23 . 1 1 4 4 GLN HB3 H 1 2.09 . . 2 . . . . . . . . 2457 1
24 . 1 1 4 4 GLN HG2 H 1 2.36 . . 1 . . . . . . . . 2457 1
25 . 1 1 4 4 GLN HG3 H 1 2.36 . . 1 . . . . . . . . 2457 1
26 . 1 1 5 5 VAL H H 1 8.21 . . 1 . . . . . . . . 2457 1
27 . 1 1 5 5 VAL HA H 1 4.15 . . 1 . . . . . . . . 2457 1
28 . 1 1 5 5 VAL HB H 1 2.16 . . 1 . . . . . . . . 2457 1
29 . 1 1 5 5 VAL HG11 H 1 1.05 . . 1 . . . . . . . . 2457 1
30 . 1 1 5 5 VAL HG12 H 1 1.05 . . 1 . . . . . . . . 2457 1
31 . 1 1 5 5 VAL HG13 H 1 1.05 . . 1 . . . . . . . . 2457 1
32 . 1 1 5 5 VAL HG21 H 1 1.05 . . 1 . . . . . . . . 2457 1
33 . 1 1 5 5 VAL HG22 H 1 1.05 . . 1 . . . . . . . . 2457 1
34 . 1 1 5 5 VAL HG23 H 1 1.05 . . 1 . . . . . . . . 2457 1
35 . 1 1 6 6 ASP H H 1 8.63 . . 1 . . . . . . . . 2457 1
36 . 1 1 6 6 ASP HA H 1 4.77 . . 1 . . . . . . . . 2457 1
37 . 1 1 6 6 ASP HB2 H 1 2.68 . . 2 . . . . . . . . 2457 1
38 . 1 1 6 6 ASP HB3 H 1 2.91 . . 2 . . . . . . . . 2457 1
39 . 1 1 7 7 CYS H H 1 8.59 . . 1 . . . . . . . . 2457 1
40 . 1 1 7 7 CYS HA H 1 5.16 . . 1 . . . . . . . . 2457 1
41 . 1 1 7 7 CYS HB2 H 1 3.46 . . 2 . . . . . . . . 2457 1
42 . 1 1 7 7 CYS HB3 H 1 2.75 . . 2 . . . . . . . . 2457 1
43 . 1 1 25 25 CYS H H 1 8.25 . . 1 . . . . . . . . 2457 1
44 . 1 1 25 25 CYS HA H 1 5.19 . . 1 . . . . . . . . 2457 1
45 . 1 1 25 25 CYS HB2 H 1 1.84 . . 2 . . . . . . . . 2457 1
46 . 1 1 25 25 CYS HB3 H 1 2.57 . . 2 . . . . . . . . 2457 1
47 . 1 1 50 50 ASN H H 1 8.73 . . 1 . . . . . . . . 2457 1
48 . 1 1 50 50 ASN HA H 1 5.07 . . 1 . . . . . . . . 2457 1
49 . 1 1 50 50 ASN HB2 H 1 2.84 . . 2 . . . . . . . . 2457 1
50 . 1 1 50 50 ASN HB3 H 1 2.89 . . 2 . . . . . . . . 2457 1
51 . 1 1 51 51 LEU H H 1 8.96 . . 1 . . . . . . . . 2457 1
52 . 1 1 51 51 LEU HA H 1 4.29 . . 1 . . . . . . . . 2457 1
53 . 1 1 51 51 LEU HB2 H 1 1.21 . . 2 . . . . . . . . 2457 1
54 . 1 1 51 51 LEU HB3 H 1 2.02 . . 2 . . . . . . . . 2457 1
55 . 1 1 51 51 LEU HG H 1 .95 . . 1 . . . . . . . . 2457 1
56 . 1 1 51 51 LEU HD11 H 1 .21 . . 2 . . . . . . . . 2457 1
57 . 1 1 51 51 LEU HD12 H 1 .21 . . 2 . . . . . . . . 2457 1
58 . 1 1 51 51 LEU HD13 H 1 .21 . . 2 . . . . . . . . 2457 1
59 . 1 1 51 51 LEU HD21 H 1 .63 . . 2 . . . . . . . . 2457 1
60 . 1 1 51 51 LEU HD22 H 1 .63 . . 2 . . . . . . . . 2457 1
61 . 1 1 51 51 LEU HD23 H 1 .63 . . 2 . . . . . . . . 2457 1
62 . 1 1 53 53 HIS H H 1 7.05 . . 1 . . . . . . . . 2457 1
63 . 1 1 53 53 HIS HA H 1 4.52 . . 1 . . . . . . . . 2457 1
64 . 1 1 53 53 HIS HB2 H 1 3.21 . . 2 . . . . . . . . 2457 1
65 . 1 1 53 53 HIS HB3 H 1 3.85 . . 2 . . . . . . . . 2457 1
66 . 1 1 53 53 HIS HD2 H 1 7.11 . . 1 . . . . . . . . 2457 1
67 . 1 1 53 53 HIS HE1 H 1 8.79 . . 1 . . . . . . . . 2457 1
68 . 1 1 54 54 ARG H H 1 9.05 . . 1 . . . . . . . . 2457 1
69 . 1 1 54 54 ARG HA H 1 3.84 . . 1 . . . . . . . . 2457 1
70 . 1 1 54 54 ARG HB2 H 1 1.74 . . 1 . . . . . . . . 2457 1
71 . 1 1 54 54 ARG HB3 H 1 1.74 . . 1 . . . . . . . . 2457 1
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save_