Content for NMR-STAR saveframe, "shift_set_2"
save_shift_set_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_2
_Assigned_chem_shift_list.Entry_ID 5316
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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
;
Both the degenerated methylene protons and individual ones were assigned,
the list in this saveframe are mostly for the individual protons.
;
_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 '1H-15N HSQC' 1 $sample_1 . 5316 2
2 '1H-15N TROSY' 1 $sample_1 . 5316 2
3 '15N-edited NOESY-HSQC' 1 $sample_1 . 5316 2
4 '15N-edited TOCSY-HSQC' 1 $sample_1 . 5316 2
5 HNCA 1 $sample_1 . 5316 2
6 HN(CO)CA 1 $sample_1 . 5316 2
7 HNCO 1 $sample_1 . 5316 2
8 HNHA 1 $sample_1 . 5316 2
9 '15N,15N-edited HSQC-NOESY-HSQC' 1 $sample_1 . 5316 2
10 '15N,13C-edited HSQC-NOESY-HMQC' 1 $sample_1 . 5316 2
11 '13C,13C-edited HMQC-NOESY-HMQC' 1 $sample_1 . 5316 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.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 6 6 VAL HG21 H 1 0.730 0.02 . 1 . . . . . . . . . 5316 2
2 . 1 1 6 6 VAL HG22 H 1 0.730 0.02 . 1 . . . . . . . . . 5316 2
3 . 1 1 6 6 VAL HG23 H 1 0.730 0.02 . 1 . . . . . . . . . 5316 2
4 . 1 1 10 10 GLY HA2 H 1 3.953 0.02 . 1 . . . . . . . . . 5316 2
5 . 1 1 30 30 LEU HB2 H 1 1.819 0.02 . 1 . . . . . . . . . 5316 2
6 . 1 1 39 39 GLU HB2 H 1 1.561 0.02 . 1 . . . . . . . . . 5316 2
7 . 1 1 73 73 GLU HG2 H 1 2.454 0.02 . 1 . . . . . . . . . 5316 2
8 . 1 1 92 92 ASP HB2 H 1 2.562 0.02 . 1 . . . . . . . . . 5316 2
9 . 1 1 148 148 PRO HD2 H 1 3.985 0.02 . 1 . . . . . . . . . 5316 2
10 . 1 1 167 167 VAL HG21 H 1 1.020 0.02 . 1 . . . . . . . . . 5316 2
11 . 1 1 167 167 VAL HG22 H 1 1.020 0.02 . 1 . . . . . . . . . 5316 2
12 . 1 1 167 167 VAL HG23 H 1 1.020 0.02 . 1 . . . . . . . . . 5316 2
13 . 1 1 205 205 ASN HB2 H 1 2.819 0.02 . 1 . . . . . . . . . 5316 2
14 . 1 1 206 206 GLU HB2 H 1 2.161 0.02 . 1 . . . . . . . . . 5316 2
15 . 1 1 227 227 MET HB2 H 1 2.001 0.02 . 1 . . . . . . . . . 5316 2
16 . 1 1 228 228 ARG HG2 H 1 2.400 0.02 . 1 . . . . . . . . . 5316 2
17 . 1 1 243 243 GLN HB2 H 1 1.915 0.02 . 1 . . . . . . . . . 5316 2
18 . 1 1 259 259 GLU HG2 H 1 2.417 0.02 . 2 . . . . . . . . . 5316 2
stop_
save_