Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34620
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_shift_reference_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_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 'STD all peaks of same ID'
_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 COSY' . . . 34620 1
2 '2D 1H-1H TOCSY' . . . 34620 1
3 '2D 1H-1H ROESY' . . . 34620 1
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loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 1 1 CYS H H 1 8.41 0.0002 . 1 . . . . A 1 CYS H1 . 34620 1
2 . 1 . 1 1 1 CYS HA H 1 4.70 0.0002 . 1 . . . . A 1 CYS HA . 34620 1
3 . 1 . 1 1 1 CYS HB2 H 1 2.86 0 . 1 . . . . A 1 CYS HB2 . 34620 1
4 . 1 . 1 1 1 CYS HB3 H 1 2.86 0 . 1 . . . . A 1 CYS HB3 . 34620 1
5 . 1 . 1 1 1 CYS HG H 1 4.8 0 . 9 . . . . A 1 CYS HG . 34620 1
6 . 1 . 1 2 2 TYR H H 1 8.25 0.0016 . 1 . . . . A 2 TYR H . 34620 1
7 . 1 . 1 2 2 TYR HA H 1 4.86 0.0049 . 1 . . . . A 2 TYR HA . 34620 1
8 . 1 . 1 2 2 TYR HB2 H 1 3.27 0.0027 . 2 . . . . A 2 TYR HB2 . 34620 1
9 . 1 . 1 2 2 TYR HB3 H 1 3.00 0.0086 . 2 . . . . A 2 TYR HB3 . 34620 1
10 . 1 . 1 2 2 TYR HD1 H 1 7.25 0.0005 . 3 . . . . A 2 TYR HD1 . 34620 1
11 . 1 . 1 2 2 TYR HD2 H 1 7.25 0.0005 . 3 . . . . A 2 TYR HD2 . 34620 1
12 . 1 . 1 2 2 TYR HE1 H 1 6.91 0.0000 . 3 . . . . A 2 TYR HE1 . 34620 1
13 . 1 . 1 2 2 TYR HE2 H 1 6.91 0.0000 . 3 . . . . A 2 TYR HE2 . 34620 1
14 . 1 . 1 2 2 TYR HH H 1 4.8 0 . 9 . . . . A 2 TYR HH . 34620 1
15 . 1 . 1 3 3 ILE H H 1 7.85 0.0016 . 1 . . . . A 3 ILE H . 34620 1
16 . 1 . 1 3 3 ILE HA H 1 4.22 0.0002 . 1 . . . . A 3 ILE HA . 34620 1
17 . 1 . 1 3 3 ILE HB H 1 2.00 0.0002 . 1 . . . . A 3 ILE HB . 34620 1
18 . 1 . 1 3 3 ILE HG12 H 1 1.09 0.0000 . 2 . . . . A 3 ILE HG12 . 34620 1
19 . 1 . 1 3 3 ILE HG13 H 1 1.30 0.0019 . 2 . . . . A 3 ILE HG13 . 34620 1
20 . 1 . 1 3 3 ILE HG21 H 1 0.94 0.0037 . 4 . . . . A 3 ILE HG21 . 34620 1
21 . 1 . 1 3 3 ILE HG22 H 1 0.94 0.0037 . 4 . . . . A 3 ILE HG22 . 34620 1
22 . 1 . 1 3 3 ILE HG23 H 1 0.94 0.0037 . 4 . . . . A 3 ILE HG23 . 34620 1
23 . 1 . 1 3 3 ILE HD11 H 1 0.94 0.0037 . 4 . . . . A 3 ILE HD11 . 34620 1
24 . 1 . 1 3 3 ILE HD12 H 1 0.94 0.0037 . 4 . . . . A 3 ILE HD12 . 34620 1
25 . 1 . 1 3 3 ILE HD13 H 1 0.94 0.0037 . 4 . . . . A 3 ILE HD13 . 34620 1
26 . 1 . 1 4 4 GLN H H 1 8.22 0.0014 . 1 . . . . A 4 GLN H . 34620 1
27 . 1 . 1 4 4 GLN HA H 1 4.16 0.0037 . 1 . . . . A 4 GLN HA . 34620 1
28 . 1 . 1 4 4 GLN HB2 H 1 2.11 0.002 . 1 . . . . A 4 GLN HB2 . 34620 1
29 . 1 . 1 4 4 GLN HB3 H 1 2.11 0.002 . 1 . . . . A 4 GLN HB3 . 34620 1
30 . 1 . 1 4 4 GLN HG2 H 1 2.44 0.0017 . 1 . . . . A 4 GLN HG2 . 34620 1
31 . 1 . 1 4 4 GLN HG3 H 1 2.44 0.0017 . 1 . . . . A 4 GLN HG3 . 34620 1
32 . 1 . 1 4 4 GLN HE21 H 1 7.60 0 . 2 . . . . A 4 GLN HE21 . 34620 1
33 . 1 . 1 4 4 GLN HE22 H 1 6.96 0 . 2 . . . . A 4 GLN HE22 . 34620 1
34 . 1 . 1 5 5 ASN H H 1 8.34 0.0014 . 1 . . . . A 5 ASN H . 34620 1
35 . 1 . 1 5 5 ASN HA H 1 4.74 0.0012 . 1 . . . . A 5 ASN HA . 34620 1
36 . 1 . 1 5 5 ASN HB2 H 1 2.88 0.0002 . 1 . . . . A 5 ASN HB2 . 34620 1
37 . 1 . 1 5 5 ASN HB3 H 1 2.88 0.0002 . 1 . . . . A 5 ASN HB3 . 34620 1
38 . 1 . 1 5 5 ASN HD21 H 1 7.65 0 . 2 . . . . A 5 ASN HD21 . 34620 1
39 . 1 . 1 5 5 ASN HD22 H 1 6.96 0 . 2 . . . . A 5 ASN HD22 . 34620 1
40 . 1 . 1 6 6 CYS H H 1 7.92 0.0007 . 1 . . . . A 6 CYS H . 34620 1
41 . 1 . 1 6 6 CYS HA H 1 4.61 0 . 1 . . . . A 6 CYS HA . 34620 1
42 . 1 . 1 6 6 CYS HB2 H 1 3.15 0 . 2 . . . . A 6 CYS HB2 . 34620 1
43 . 1 . 1 6 6 CYS HB3 H 1 3.00 0 . 2 . . . . A 6 CYS HB3 . 34620 1
44 . 1 . 1 6 6 CYS HG H 1 4.8 0 . 9 . . . . A 6 CYS HG . 34620 1
45 . 1 . 1 7 7 PRO HA H 1 4.49 0 . 1 . . . . A 7 PRO HA . 34620 1
46 . 1 . 1 7 7 PRO HB2 H 1 1.98 0.005 . 2 . . . . A 7 PRO HB2 . 34620 1
47 . 1 . 1 7 7 PRO HB3 H 1 2.33 0.0045 . 2 . . . . A 7 PRO HB3 . 34620 1
48 . 1 . 1 7 7 PRO HG2 H 1 2.08 0.0017 . 1 . . . . A 7 PRO HG2 . 34620 1
49 . 1 . 1 7 7 PRO HG3 H 1 2.08 0.0017 . 1 . . . . A 7 PRO HG3 . 34620 1
50 . 1 . 1 7 7 PRO HD2 H 1 3.77 0.0047 . 1 . . . . A 7 PRO HD2 . 34620 1
51 . 1 . 1 7 7 PRO HD3 H 1 3.77 0.0047 . 1 . . . . A 7 PRO HD3 . 34620 1
52 . 1 . 1 8 8 LEU H H 1 8.51 0.0006 . 1 . . . . A 8 LEU H . 34620 1
53 . 1 . 1 8 8 LEU HA H 1 4.35 0.0002 . 1 . . . . A 8 LEU HA . 34620 1
54 . 1 . 1 8 8 LEU HB2 H 1 1.72 0 . 1 . . . . A 8 LEU HB2 . 34620 1
55 . 1 . 1 8 8 LEU HB3 H 1 1.72 0 . 1 . . . . A 8 LEU HB3 . 34620 1
56 . 1 . 1 8 8 LEU HG H 1 1.67 0 . 1 . . . . A 8 LEU HG . 34620 1
57 . 1 . 1 8 8 LEU HD11 H 1 0.97 0 . 1 . . . . A 8 LEU HD11 . 34620 1
58 . 1 . 1 8 8 LEU HD12 H 1 0.97 0 . 1 . . . . A 8 LEU HD12 . 34620 1
59 . 1 . 1 8 8 LEU HD13 H 1 0.97 0 . 1 . . . . A 8 LEU HD13 . 34620 1
60 . 1 . 1 8 8 LEU HD21 H 1 0.93 0 . 1 . . . . A 8 LEU HD21 . 34620 1
61 . 1 . 1 8 8 LEU HD22 H 1 0.93 0 . 1 . . . . A 8 LEU HD22 . 34620 1
62 . 1 . 1 8 8 LEU HD23 H 1 0.93 0 . 1 . . . . A 8 LEU HD23 . 34620 1
63 . 1 . 1 9 9 GLY H H 1 8.43 0.0002 . 1 . . . . A 9 GLY H . 34620 1
64 . 1 . 1 9 9 GLY HA2 H 1 3.97 0.0022 . 2 . . . . A 9 GLY HA2 . 34620 1
65 . 1 . 1 9 9 GLY HA3 H 1 3.92 0.00014 . 2 . . . . A 9 GLY HA3 . 34620 1
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