Content for NMR-STAR saveframe, "assigned_chem_shift_list"
save_assigned_chem_shift_list
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list
_Assigned_chem_shift_list.Entry_ID 11550
_Assigned_chem_shift_list.ID 1
_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 $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
;
_Systematic_chem_shift_offset: SAIL isotope labeling:
all ASN CA: 0.04
all ASN CB: 0.27
all GLU CA: 0.07
all GLU CB: 0.40
all GLU CG: 0.35
;
_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 DARR 1 $sample_1 solid 11550 1
2 "Cai+1-(C'Ca) correlation" 1 $sample_1 solid 11550 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.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 23 23 ASN C C 13 178.2 0.3 . 1 . . . . 23 ASN C . 11550 1
2 . 1 1 23 23 ASN CA C 13 55.3 0.3 . 1 . . . . 23 ASN CA . 11550 1
3 . 1 1 23 23 ASN CB C 13 36.9 0.4 . 1 . . . . 23 ASN CB . 11550 1
4 . 1 1 23 23 ASN CG C 13 170.7 0.5 . 1 . . . . 23 ASN CG . 11550 1
5 . 1 1 32 32 GLU C C 13 178.9 0.3 . 1 . . . . 32 GLU C . 11550 1
6 . 1 1 32 32 GLU CA C 13 58.4 0.3 . 1 . . . . 32 GLU CA . 11550 1
7 . 1 1 32 32 GLU CB C 13 30.0 0.5 . 1 . . . . 32 GLU CB . 11550 1
8 . 1 1 32 32 GLU CD C 13 183.1 0.5 . 1 . . . . 32 GLU CD . 11550 1
9 . 1 1 32 32 GLU CG C 13 34.5 0.3 . 1 . . . . 32 GLU CG . 11550 1
10 . 1 1 39 39 GLU C C 13 177.8 0.4 . 1 . . . . 39 GLU C . 11550 1
11 . 1 1 39 39 GLU CA C 13 57.8 0.2 . 1 . . . . 39 GLU CA . 11550 1
12 . 1 1 39 39 GLU CB C 13 30.7 0.6 . 1 . . . . 39 GLU CB . 11550 1
13 . 1 1 39 39 GLU CD C 13 182.6 0.3 . 1 . . . . 39 GLU CD . 11550 1
14 . 1 1 39 39 GLU CG C 13 35.8 0.2 . 1 . . . . 39 GLU CG . 11550 1
15 . 1 1 56 56 GLU C C 13 177.6 0.4 . 1 . . . . 56 GLU C . 11550 1
16 . 1 1 56 56 GLU CA C 13 57.3 0.4 . 1 . . . . 56 GLU CA . 11550 1
17 . 1 1 56 56 GLU CB C 13 27.4 0.6 . 1 . . . . 56 GLU CB . 11550 1
18 . 1 1 56 56 GLU CD C 13 174.5 0.7 . 1 . . . . 56 GLU CD . 11550 1
19 . 1 1 56 56 GLU CG C 13 31.0 1.1 . 1 . . . . 56 GLU CG . 11550 1
stop_
save_