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 4328
_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_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
;
The chemical shifts in this saveframe are values
for the minor conformation (Two sets of peaks were
observed for a certain region)
;
_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_1 . 4328 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 21 21 GLY CA C 13 44.17500 0.05 . 1 . . . . . . . . 4328 2
2 . 1 1 21 21 GLY N N 15 128.45 0.05 . 1 . . . . . . . . 4328 2
3 . 1 1 21 21 GLY H H 1 8.074 0.02 . 1 . . . . . . . . 4328 2
4 . 1 1 21 21 GLY HA2 H 1 3.657 0.02 . 2 . . . . . . . . 4328 2
5 . 1 1 21 21 GLY HA3 H 1 4.074 0.02 . 2 . . . . . . . . 4328 2
6 . 1 1 23 23 GLN N N 15 127.13 0.05 . 1 . . . . . . . . 4328 2
7 . 1 1 23 23 GLN H H 1 10.678 0.02 . 1 . . . . . . . . 4328 2
8 . 1 1 23 23 GLN HA H 1 4.855 0.02 . 1 . . . . . . . . 4328 2
9 . 1 1 23 23 GLN HB2 H 1 1.994 0.02 . 2 . . . . . . . . 4328 2
10 . 1 1 49 49 VAL N N 15 123.00 0.05 . 1 . . . . . . . . 4328 2
11 . 1 1 49 49 VAL H H 1 8.911 0.02 . 1 . . . . . . . . 4328 2
12 . 1 1 49 49 VAL HA H 1 3.341 0.02 . 1 . . . . . . . . 4328 2
13 . 1 1 49 49 VAL HB H 1 1.800 0.02 . 1 . . . . . . . . 4328 2
14 . 1 1 49 49 VAL HG11 H 1 0.836 0.02 . 2 . . . . . . . . 4328 2
15 . 1 1 49 49 VAL HG12 H 1 0.836 0.02 . 2 . . . . . . . . 4328 2
16 . 1 1 49 49 VAL HG13 H 1 0.836 0.02 . 2 . . . . . . . . 4328 2
17 . 1 1 50 50 GLU CA C 13 62.13 0.05 . 1 . . . . . . . . 4328 2
18 . 1 1 50 50 GLU N N 15 123.16 0.05 . 1 . . . . . . . . 4328 2
19 . 1 1 50 50 GLU H H 1 10.407 0.02 . 1 . . . . . . . . 4328 2
20 . 1 1 50 50 GLU HA H 1 3.552 0.02 . 1 . . . . . . . . 4328 2
21 . 1 1 50 50 GLU HB2 H 1 1.811 0.02 . 2 . . . . . . . . 4328 2
22 . 1 1 50 50 GLU HB3 H 1 2.128 0.02 . 2 . . . . . . . . 4328 2
23 . 1 1 51 51 ALA N N 15 120.07 0.05 . 1 . . . . . . . . 4328 2
24 . 1 1 51 51 ALA H H 1 7.892 0.02 . 1 . . . . . . . . 4328 2
25 . 1 1 51 51 ALA HA H 1 4.160 0.02 . 1 . . . . . . . . 4328 2
26 . 1 1 51 51 ALA HB1 H 1 1.706 0.02 . 1 . . . . . . . . 4328 2
27 . 1 1 51 51 ALA HB2 H 1 1.706 0.02 . 1 . . . . . . . . 4328 2
28 . 1 1 51 51 ALA HB3 H 1 1.706 0.02 . 1 . . . . . . . . 4328 2
stop_
save_