Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27756
_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_ACS-I-020A
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_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 .
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_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 TOCSY' . . . 27756 1
2 '2D 1H-1H COSY' . . . 27756 1
3 '2D 1H-1H ROESY' . . . 27756 1
4 '1D 1H acquisition' . . . 27756 1
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_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
1 $Mestrenova . . 27756 1
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_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 TYR HA H 1 4.82 0.01 . 1 . . . . . 1 TYR HA . 27756 1
2 . 1 1 1 1 TYR HB2 H 1 2.57 0.01 . 1 . . . . . 1 TYR HB2 . 27756 1
3 . 1 1 1 1 TYR HB3 H 1 2.70 0.01 . 1 . . . . . 1 TYR HB3 . 27756 1
4 . 1 1 1 1 TYR HD1 H 1 7.06 0.01 . 3 . . . . . 1 TYR HD1 . 27756 1
5 . 1 1 1 1 TYR HD2 H 1 7.06 0.01 . 3 . . . . . 1 TYR HD2 . 27756 1
6 . 1 1 1 1 TYR HE1 H 1 6.82 0.01 . 3 . . . . . 1 TYR HE1 . 27756 1
7 . 1 1 1 1 TYR HE2 H 1 6.82 0.01 . 3 . . . . . 1 TYR HE2 . 27756 1
8 . 1 1 2 2 PRO HA H 1 4.41 0.01 . 1 . . . . . 2 PRO HA . 27756 1
9 . 1 1 2 2 PRO HB2 H 1 1.71 0.01 . 1 . . . . . 2 PRO HB2 . 27756 1
10 . 1 1 2 2 PRO HB3 H 1 2.13 0.01 . 1 . . . . . 2 PRO HB3 . 27756 1
11 . 1 1 2 2 PRO HG2 H 1 1.86 0.01 . 1 . . . . . 2 PRO HG2 . 27756 1
12 . 1 1 2 2 PRO HG3 H 1 1.91 0.01 . 1 . . . . . 2 PRO HG3 . 27756 1
13 . 1 1 2 2 PRO HD2 H 1 3.18 0.01 . 1 . . . . . 2 PRO HD2 . 27756 1
14 . 1 1 2 2 PRO HD3 H 1 3.62 0.01 . 1 . . . . . 2 PRO HD3 . 27756 1
15 . 1 1 3 3 TRP H H 1 7.72 0.01 . 1 . . . . . 3 TRP H . 27756 1
16 . 1 1 3 3 TRP HA H 1 4.54 0.01 . 1 . . . . . 3 TRP HA . 27756 1
17 . 1 1 3 3 TRP HB2 H 1 3.23 0.01 . 2 . . . . . 3 TRP HB2 . 27756 1
18 . 1 1 3 3 TRP HB3 H 1 3.23 0.01 . 2 . . . . . 3 TRP HB3 . 27756 1
19 . 1 1 3 3 TRP HD1 H 1 7.14 0.01 . 1 . . . . . 3 TRP HD1 . 27756 1
20 . 1 1 3 3 TRP HE1 H 1 10.13 0.01 . 1 . . . . . 3 TRP HE1 . 27756 1
21 . 1 1 3 3 TRP HE3 H 1 7.63 0.01 . 1 . . . . . 3 TRP HE3 . 27756 1
22 . 1 1 3 3 TRP HZ2 H 1 7.37 0.01 . 1 . . . . . 3 TRP HZ2 . 27756 1
23 . 1 1 3 3 TRP HZ3 H 1 7.20 0.01 . 1 . . . . . 3 TRP HZ3 . 27756 1
24 . 1 1 3 3 TRP HH2 H 1 7.16 0.01 . 1 . . . . . 3 TRP HH2 . 27756 1
25 . 1 1 4 4 PHE H H 1 7.73 0.01 . 1 . . . . . 4 PHE H . 27756 1
26 . 1 1 4 4 PHE HA H 1 4.50 0.01 . 1 . . . . . 4 PHE HA . 27756 1
27 . 1 1 4 4 PHE HB2 H 1 2.85 0.01 . 1 . . . . . 4 PHE HB2 . 27756 1
28 . 1 1 4 4 PHE HB3 H 1 2.95 0.01 . 1 . . . . . 4 PHE HB3 . 27756 1
29 . 1 1 4 4 PHE HD1 H 1 7.27 0.01 . 4 . . . . . 4 PHE HD1 . 27756 1
30 . 1 1 4 4 PHE HD2 H 1 7.27 0.01 . 4 . . . . . 4 PHE HD2 . 27756 1
31 . 1 1 4 4 PHE HE1 H 1 7.27 0.01 . 4 . . . . . 4 PHE HE1 . 27756 1
32 . 1 1 4 4 PHE HE2 H 1 7.27 0.01 . 4 . . . . . 4 PHE HE2 . 27756 1
33 . 1 1 4 4 PHE HZ H 1 7.27 0.01 . 4 . . . . . 4 PHE HZ . 27756 1
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