Content for NMR-STAR saveframe, "chemshifts"
save_chemshifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemshifts
_Assigned_chem_shift_list.Entry_ID 6778
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $conditions_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing
_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 .
_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 unknown 1 $sample_1 isotropic 6778 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_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.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 17 17 SER N N 15 113.07 0.02 . . . . . . 17 SER N . 6778 1
2 . 1 1 20 20 ASP N N 15 117.38 0.02 . . . . . . 20 ASP N . 6778 1
3 . 1 1 27 27 ILE H H 1 9.87 0.01 . . . . . . 27 ILE H . 6778 1
4 . 1 1 27 27 ILE N N 15 127.28 0.02 . . . . . . 27 ILE N . 6778 1
5 . 1 1 36 36 MET H H 1 8.37 0.01 . . . . . . 36 MET H . 6778 1
6 . 1 1 53 53 ASN H H 1 8.64 0.01 . . . . . . 53 ASN H . 6778 1
7 . 1 1 55 55 VAL N N 15 110.56 0.02 . . . . . . 55 VAL N . 6778 1
8 . 1 1 57 57 ALA H H 1 8.31 0.01 . . . . . . 57 ALA H . 6778 1
9 . 1 1 69 69 LEU H H 1 8.60 0.01 . . . . . . 69 LEU H . 6778 1
10 . 1 1 69 69 LEU N N 15 119.38 0.02 . . . . . . 69 LEU N . 6778 1
11 . 1 1 71 71 MET H H 1 7.44 0.01 . . . . . . 71 MET H . 6778 1
12 . 1 1 72 72 MET N N 15 117.74 0.02 . . . . . . 72 MET N . 6778 1
13 . 1 1 74 74 ARG H H 1 7.14 0.01 . . . . . . 74 ARG H . 6778 1
14 . 1 1 74 74 ARG N N 15 115.48 0.02 . . . . . . 74 ARG N . 6778 1
15 . 1 1 88 88 ALA H H 1 7.43 0.01 . . . . . . 88 ALA H . 6778 1
16 . 1 1 88 88 ALA N N 15 120.28 0.02 . . . . . . 88 ALA N . 6778 1
17 . 1 1 90 90 ARG H H 1 7.78 0.01 . . . . . . 90 ARG H . 6778 1
18 . 1 1 92 92 PHE H H 1 7.50 0.01 . . . . . . 92 PHE H . 6778 1
19 . 1 1 121 121 VAL H H 1 7.98 0.01 . . . . . . 121 VAL H . 6778 1
20 . 1 1 124 124 MET N N 15 120.15 0.02 . . . . . . 124 MET N . 6778 1
21 . 1 1 125 125 ILE H H 1 8.21 0.01 . . . . . . 125 ILE H . 6778 1
22 . 1 1 127 127 GLU N N 15 116.92 0.02 . . . . . . 127 GLU N . 6778 1
23 . 1 1 129 129 ASN H H 1 8.01 0.01 . . . . . . 129 ASN H . 6778 1
24 . 1 1 140 140 GLU N N 15 120.59 0.01 . . . . . . 140 GLU N . 6778 1
25 . 1 1 142 142 VAL H H 1 8.71 0.01 . . . . . . 142 VAL H . 6778 1
26 . 1 1 143 143 THR N N 15 117.87 0.02 . . . . . . 143 THR N . 6778 1
27 . 1 1 145 145 MET N N 15 115.64 0.01 . . . . . . 145 MET N . 6778 1
28 . 1 1 146 146 THR N N 15 109.30 0.022 . . . . . . 146 THR N . 6778 1
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save_