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 34222
_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 .
_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 '1D 1H' . . . 34222 1
2 '2D 1H-1H TOCSY' . . . 34222 1
3 '2D 1H-1H NOESY' . . . 34222 1
4 '2D DQF-COSY' . . . 34222 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.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 AC5 H1 H 1 8.463 0.000 . . . . . . A 5 AC5 H1 . 34222 1
2 . 1 1 1 1 AC5 HB11 H 1 1.707 0.000 . . . . . . A 5 AC5 HB11 . 34222 1
3 . 1 1 1 1 AC5 HB21 H 1 2.127 0.000 . . . . . . A 5 AC5 HB21 . 34222 1
4 . 1 1 1 1 AC5 HB22 H 1 1.827 0.000 . . . . . . A 5 AC5 HB22 . 34222 1
5 . 1 1 1 1 AC5 HG21 H 1 1.647 0.000 . . . . . . A 5 AC5 HG21 . 34222 1
6 . 1 1 1 1 AC5 HG22 H 1 1.532 0.000 . . . . . . A 5 AC5 HG22 . 34222 1
7 . 1 1 2 2 HIS H H 1 8.000 0.000 . . . . . . A 6 HIS H . 34222 1
8 . 1 1 2 2 HIS HA H 1 4.988 0.000 . . . . . . A 6 HIS HA . 34222 1
9 . 1 1 2 2 HIS HB2 H 1 3.096 0.000 . . . . . . A 6 HIS HB2 . 34222 1
10 . 1 1 2 2 HIS HB3 H 1 3.167 0.000 . . . . . . A 6 HIS HB3 . 34222 1
11 . 1 1 2 2 HIS HD2 H 1 7.268 0.000 . . . . . . A 6 HIS HD2 . 34222 1
12 . 1 1 2 2 HIS HE1 H 1 8.663 0.000 . . . . . . A 6 HIS HE1 . 34222 1
13 . 1 1 3 3 DPN H H 1 9.190 0.000 . . . . . . A 7 DPN H . 34222 1
14 . 1 1 3 3 DPN HA H 1 4.120 0.000 . . . . . . A 7 DPN HA . 34222 1
15 . 1 1 3 3 DPN HB2 H 1 3.062 0.000 . . . . . . A 7 DPN HB2 . 34222 1
16 . 1 1 3 3 DPN HB3 H 1 2.960 0.000 . . . . . . A 7 DPN HB3 . 34222 1
17 . 1 1 3 3 DPN HD1 H 1 7.197 0.002 . . . . . . A 7 DPN HD1 . 34222 1
18 . 1 1 3 3 DPN HD2 H 1 7.197 0.002 . . . . . . A 7 DPN HD2 . 34222 1
19 . 1 1 3 3 DPN HE1 H 1 7.291 0.000 . . . . . . A 7 DPN HE1 . 34222 1
20 . 1 1 3 3 DPN HE2 H 1 7.291 0.000 . . . . . . A 7 DPN HE2 . 34222 1
21 . 1 1 4 4 ARG H H 1 6.760 0.000 . . . . . . A 8 ARG H . 34222 1
22 . 1 1 4 4 ARG HA H 1 4.108 0.000 . . . . . . A 8 ARG HA . 34222 1
23 . 1 1 4 4 ARG HB2 H 1 0.770 0.001 . . . . . . A 8 ARG HB2 . 34222 1
24 . 1 1 4 4 ARG HB3 H 1 1.270 0.000 . . . . . . A 8 ARG HB3 . 34222 1
25 . 1 1 4 4 ARG HG2 H 1 0.466 0.000 . . . . . . A 8 ARG HG2 . 34222 1
26 . 1 1 4 4 ARG HG3 H 1 0.487 0.000 . . . . . . A 8 ARG HG3 . 34222 1
27 . 1 1 4 4 ARG HD2 H 1 2.760 0.000 . . . . . . A 8 ARG HD2 . 34222 1
28 . 1 1 4 4 ARG HD3 H 1 2.760 0.000 . . . . . . A 8 ARG HD3 . 34222 1
29 . 1 1 4 4 ARG HE H 1 7.297 0.001 . . . . . . A 8 ARG HE . 34222 1
30 . 1 1 5 5 TRP H H 1 8.005 0.000 . . . . . . A 9 TRP H . 34222 1
31 . 1 1 5 5 TRP HA H 1 4.707 0.000 . . . . . . A 9 TRP HA . 34222 1
32 . 1 1 5 5 TRP HB2 H 1 3.236 0.000 . . . . . . A 9 TRP HB2 . 34222 1
33 . 1 1 5 5 TRP HB3 H 1 3.416 0.000 . . . . . . A 9 TRP HB3 . 34222 1
34 . 1 1 5 5 TRP HD1 H 1 7.282 0.000 . . . . . . A 9 TRP HD1 . 34222 1
35 . 1 1 5 5 TRP HE1 H 1 10.704 0.000 . . . . . . A 9 TRP HE1 . 34222 1
36 . 1 1 5 5 TRP HE3 H 1 7.643 0.000 . . . . . . A 9 TRP HE3 . 34222 1
37 . 1 1 5 5 TRP HZ2 H 1 7.437 0.000 . . . . . . A 9 TRP HZ2 . 34222 1
38 . 1 1 5 5 TRP HZ3 H 1 7.014 0.001 . . . . . . A 9 TRP HZ3 . 34222 1
39 . 1 1 5 5 TRP HH2 H 1 7.075 0.000 . . . . . . A 9 TRP HH2 . 34222 1
40 . 1 1 6 6 ASP H H 1 7.965 0.000 . . . . . . A 10 ASP H . 34222 1
41 . 1 1 6 6 ASP HA H 1 4.716 0.000 . . . . . . A 10 ASP HA . 34222 1
42 . 1 1 6 6 ASP HB2 H 1 2.783 0.000 . . . . . . A 10 ASP HB2 . 34222 1
43 . 1 1 6 6 ASP HB3 H 1 2.783 0.000 . . . . . . A 10 ASP HB3 . 34222 1
44 . 1 1 7 7 NH2 HN1 H 1 7.538 0.000 . . . . . . A 11 NH2 HN1 . 34222 1
45 . 1 1 7 7 NH2 HN2 H 1 7.214 0.002 . . . . . . A 11 NH2 HN2 . 34222 1
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save_