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 30615
_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 "These are anisotropic (solid-state NMR) chemical shifts that don't follow the trends of isotropic chemical shifts."
_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 '15N_1H solid-state de-HETCOR' . . . 30615 1
2 '15N_1H solid-state de-HETCOR' . . . 30615 1
3 '15N_1H solid-state de-HETCOR' . . . 30615 1
4 '15N_1H solid-state de-HETCOR' . . . 30615 1
5 '15N_1H solid-state de-HETCOR' . . . 30615 1
6 '15N_1H solid-state de-HETCOR' . . . 30615 1
7 '15N_1H solid-state de-HETCOR' . . . 30615 1
8 '15N_1H solid-state de-HETCOR' . . . 30615 1
9 '15N_1H solid-state de-HETCOR' . . . 30615 1
10 '15N_1H solid-state de-HETCOR' . . . 30615 1
11 '15N_1H solid-state de-HETCOR' . . . 30615 1
12 '15N_1H solid-state de-HETCOR' . . . 30615 1
13 '15N_1H solid-state de-HETCOR' . . . 30615 1
14 '15N_1H solid-state de-HETCOR' . . . 30615 1
stop_
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 3 3 HIS N N 15 49.40 2 . 1 . . . . A 3 HIS N . 30615 1
2 . 1 . 1 4 4 HIS N N 15 63.90 2 . 1 . . . . A 4 HIS N . 30615 1
3 . 1 . 1 5 5 ILE N N 15 46.70 2 . 1 . . . . A 5 ILE N . 30615 1
4 . 1 . 1 6 6 PHE N N 15 59.80 2 . 1 . . . . A 6 PHE N . 30615 1
5 . 1 . 1 7 7 ARG N N 15 49.86 2 . 1 . . . . A 7 ARG N . 30615 1
6 . 1 . 1 8 8 GLY N N 15 51.90 2 . 1 . . . . A 8 GLY N . 30615 1
7 . 1 . 1 9 9 ILE N N 15 46.70 2 . 1 . . . . A 9 ILE N . 30615 1
8 . 1 . 1 10 10 VAL N N 15 56.70 2 . 1 . . . . A 10 VAL N . 30615 1
9 . 1 . 1 11 11 HIS N N 15 63.60 2 . 1 . . . . A 11 HIS N . 30615 1
10 . 1 . 1 12 12 ALA N N 15 49.10 2 . 1 . . . . A 12 ALA N . 30615 1
11 . 1 . 1 13 13 GLY N N 15 37.50 2 . 1 . . . . A 13 GLY N . 30615 1
12 . 1 . 1 14 14 ARG N N 15 52.42 2 . 1 . . . . A 14 ARG N . 30615 1
13 . 1 . 1 15 15 SER N N 15 62.50 2 . 1 . . . . A 15 SER N . 30615 1
14 . 1 . 1 16 16 ILE N N 15 44.20 2 . 1 . . . . A 16 ILE N . 30615 1
15 . 1 . 1 17 17 GLY N N 15 43.70 2 . 1 . . . . A 17 GLY N . 30615 1
16 . 1 . 1 18 18 ARG N N 15 62.90 2 . 1 . . . . A 18 ARG N . 30615 1
17 . 1 . 1 19 19 PHE N N 15 62.60 2 . 1 . . . . A 19 PHE N . 30615 1
18 . 1 . 1 20 20 LEU N N 15 47.13 2 . 1 . . . . A 20 LEU N . 30615 1
19 . 1 . 1 21 21 THR N N 15 43.60 2 . 1 . . . . A 21 THR N . 30615 1
20 . 1 . 1 22 22 GLY N N 15 42.10 2 . 1 . . . . A 22 GLY N . 30615 1
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