Content for NMR-STAR saveframe, "assigned_chemical_shifts_two"
save_assigned_chemical_shifts_two
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_two
_Assigned_chem_shift_list.Entry_ID 4011
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one
_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
;
This save frame contains the set of peak assignments for residues
P512 and T513 arising from the cis conformer of P512.
;
_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 $sample_one . 4011 2
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 4 4 PRO HA H 1 4.44 . . 1 . . . . . . . . 4011 2
2 . 1 1 4 4 PRO HB2 H 1 1.34 . . 1 . . . . . . . . 4011 2
3 . 1 1 4 4 PRO HB3 H 1 1.34 . . 1 . . . . . . . . 4011 2
4 . 1 1 4 4 PRO HD3 H 1 3.51 . . 1 . . . . . . . . 4011 2
5 . 1 1 4 4 PRO HD2 H 1 3.51 . . 1 . . . . . . . . 4011 2
6 . 1 1 5 5 THR H H 1 8.4 . . 1 . . . . . . . . 4011 2
7 . 1 1 5 5 THR HA H 1 4.3 . . 1 . . . . . . . . 4011 2
8 . 1 1 5 5 THR HG21 H 1 1.27 . . 1 . . . . . . . . 4011 2
9 . 1 1 5 5 THR HG22 H 1 1.27 . . 1 . . . . . . . . 4011 2
10 . 1 1 5 5 THR HG23 H 1 1.27 . . 1 . . . . . . . . 4011 2
11 . 1 1 5 5 THR N N 15 108.5 . . 1 . . . . . . . . 4011 2
stop_
save_