Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 6170
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 '2D NOESY' 1 $sample_1 . 6170 1
2 '2D TOCSY' 1 $sample_1 . 6170 1
3 DQF-COSY 1 $sample_1 . 6170 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 ARG HA H 1 4.047 0.002 . 1 . . . . . 1 . . . 6170 1
2 . 1 1 1 1 ARG HB2 H 1 1.836 0.006 . 1 . . . . . 1 . . . 6170 1
3 . 1 1 1 1 ARG HB3 H 1 1.938 0.005 . 1 . . . . . 1 . . . 6170 1
4 . 1 1 1 1 ARG HD2 H 1 3.179 0.004 . 1 . . . . . 1 . . . 6170 1
5 . 1 1 1 1 ARG HD3 H 1 3.179 0.004 . 1 . . . . . 1 . . . 6170 1
6 . 1 1 1 1 ARG HE H 1 7.529 0.002 . 1 . . . . . 1 . . . 6170 1
7 . 1 1 1 1 ARG HG2 H 1 1.514 0.003 . 1 . . . . . 1 . . . 6170 1
8 . 1 1 1 1 ARG HG3 H 1 1.514 0.003 . 1 . . . . . 1 . . . 6170 1
9 . 1 1 1 1 ARG H H 1 8.669 0.001 . 1 . . . . . 1 . . . 6170 1
10 . 1 1 2 2 ARG HA H 1 4.092 0.003 . 1 . . . . . 2 . . . 6170 1
11 . 1 1 2 2 ARG HB2 H 1 1.670 0.009 . 1 . . . . . 2 . . . 6170 1
12 . 1 1 2 2 ARG HB3 H 1 1.670 0.009 . 1 . . . . . 2 . . . 6170 1
13 . 1 1 2 2 ARG HD2 H 1 3.102 0.001 . 1 . . . . . 2 . . . 6170 1
14 . 1 1 2 2 ARG HD3 H 1 3.102 0.001 . 1 . . . . . 2 . . . 6170 1
15 . 1 1 2 2 ARG HE H 1 7.341 0.002 . 1 . . . . . 2 . . . 6170 1
16 . 1 1 2 2 ARG HG2 H 1 1.355 0.004 . 2 . . . . . 2 . . . 6170 1
17 . 1 1 2 2 ARG HG3 H 1 1.288 0.003 . 2 . . . . . 2 . . . 6170 1
18 . 1 1 2 2 ARG H H 1 8.230 0.002 . 1 . . . . . 2 . . . 6170 1
19 . 1 1 3 3 TYR HA H 1 4.533 0.000 . 1 . . . . . 3 . . . 6170 1
20 . 1 1 3 3 TYR HB2 H 1 3.047 0.004 . 2 . . . . . 3 . . . 6170 1
21 . 1 1 3 3 TYR HB3 H 1 2.981 0.003 . 2 . . . . . 3 . . . 6170 1
22 . 1 1 3 3 TYR HD1 H 1 7.083 0.005 . 1 . . . . . 3 . . . 6170 1
23 . 1 1 3 3 TYR HD2 H 1 7.083 0.005 . 1 . . . . . 3 . . . 6170 1
24 . 1 1 3 3 TYR HE1 H 1 6.821 0.004 . 1 . . . . . 3 . . . 6170 1
25 . 1 1 3 3 TYR HE2 H 1 6.821 0.004 . 1 . . . . . 3 . . . 6170 1
26 . 1 1 3 3 TYR H H 1 7.835 0.002 . 1 . . . . . 3 . . . 6170 1
27 . 1 1 4 4 TYR HA H 1 4.353 0.006 . 1 . . . . . 4 . . . 6170 1
28 . 1 1 4 4 TYR HB2 H 1 3.141 0.001 . 1 . . . . . 4 . . . 6170 1
29 . 1 1 4 4 TYR HB3 H 1 3.064 0.003 . 1 . . . . . 4 . . . 6170 1
30 . 1 1 4 4 TYR HD1 H 1 7.089 0.004 . 1 . . . . . 4 . . . 6170 1
31 . 1 1 4 4 TYR HD2 H 1 7.089 0.004 . 1 . . . . . 4 . . . 6170 1
32 . 1 1 4 4 TYR HE1 H 1 6.863 0.006 . 1 . . . . . 4 . . . 6170 1
33 . 1 1 4 4 TYR HE2 H 1 6.863 0.006 . 1 . . . . . 4 . . . 6170 1
34 . 1 1 4 4 TYR H H 1 8.361 0.001 . 1 . . . . . 4 . . . 6170 1
35 . 1 1 5 5 ARG HA H 1 3.979 0.003 . 1 . . . . . 5 . . . 6170 1
36 . 1 1 5 5 ARG HB2 H 1 1.423 0.005 . 1 . . . . . 5 . . . 6170 1
37 . 1 1 5 5 ARG HB3 H 1 1.670 0.003 . 1 . . . . . 5 . . . 6170 1
38 . 1 1 5 5 ARG HD2 H 1 2.971 0.002 . 1 . . . . . 5 . . . 6170 1
39 . 1 1 5 5 ARG HD3 H 1 2.971 0.002 . 1 . . . . . 5 . . . 6170 1
40 . 1 1 5 5 ARG HE H 1 7.371 0.004 . 1 . . . . . 5 . . . 6170 1
41 . 1 1 5 5 ARG HG2 H 1 1.039 0.004 . 2 . . . . . 5 . . . 6170 1
42 . 1 1 5 5 ARG HG3 H 1 0.943 0.003 . 2 . . . . . 5 . . . 6170 1
43 . 1 1 5 5 ARG H H 1 7.493 0.002 . 1 . . . . . 5 . . . 6170 1
44 . 1 1 6 6 PHE HA H 1 4.732 0.002 . 1 . . . . . 6 . . . 6170 1
45 . 1 1 6 6 PHE HB2 H 1 3.164 0.003 . 1 . . . . . 6 . . . 6170 1
46 . 1 1 6 6 PHE HB3 H 1 3.416 0.004 . 1 . . . . . 6 . . . 6170 1
47 . 1 1 6 6 PHE HD1 H 1 7.355 0.003 . 1 . . . . . 6 . . . 6170 1
48 . 1 1 6 6 PHE HD2 H 1 7.355 0.003 . 1 . . . . . 6 . . . 6170 1
49 . 1 1 6 6 PHE HE1 H 1 7.240 0.003 . 1 . . . . . 6 . . . 6170 1
50 . 1 1 6 6 PHE HE2 H 1 7.240 0.003 . 1 . . . . . 6 . . . 6170 1
51 . 1 1 6 6 PHE H H 1 8.126 0.001 . 1 . . . . . 6 . . . 6170 1
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