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 5628
_Assigned_chem_shift_list.ID 2
_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
;
This chemical shifts in this set were minor signals that could be assigned.
They probably correspond to a minor conformational species which could occur
in the context of a dimer.
;
_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 . 5628 2
. . 2 $sample_2 . 5628 2
. . 3 $sample_3 . 5628 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 63 63 SER H H 1 7.90 0.02 . 1 . . . . 338 . . . 5628 2
2 . 1 1 63 63 SER N N 15 121.1 0.05 . 1 . . . . 338 . . . 5628 2
3 . 1 1 66 66 LEU H H 1 7.73 0.02 . 1 . . . . 341 . . . 5628 2
4 . 1 1 66 66 LEU N N 15 124.0 0.05 . 1 . . . . 341 . . . 5628 2
5 . 1 1 67 67 ILE H H 1 7.32 0.02 . 1 . . . . 342 . . . 5628 2
6 . 1 1 67 67 ILE N N 15 122.4 0.05 . 1 . . . . 342 . . . 5628 2
7 . 1 1 68 68 THR H H 1 8.40 0.02 . 1 . . . . 343 . . . 5628 2
8 . 1 1 68 68 THR N N 15 112.3 0.05 . 1 . . . . 343 . . . 5628 2
9 . 1 1 70 70 MET H H 1 6.98 0.02 . 1 . . . . 345 . . . 5628 2
10 . 1 1 70 70 MET N N 15 121.3 0.05 . 1 . . . . 345 . . . 5628 2
11 . 1 1 157 157 GLN H H 1 7.32 0.02 . 1 . . . . 432 . . . 5628 2
12 . 1 1 157 157 GLN N N 15 113.3 0.05 . 1 . . . . 432 . . . 5628 2
13 . 1 1 158 158 GLY H H 1 7.78 0.02 . 1 . . . . 433 . . . 5628 2
14 . 1 1 158 158 GLY N N 15 109.2 0.05 . 1 . . . . 433 . . . 5628 2
15 . 1 1 158 158 GLY CA C 13 43.2 0.05 . 1 . . . . 433 . . . 5628 2
16 . 1 1 158 158 GLY HA2 H 1 4.38 0.02 . 2 . . . . 433 . . . 5628 2
17 . 1 1 158 158 GLY HA3 H 1 1.78 0.02 . 2 . . . . 433 . . . 5628 2
18 . 1 1 159 159 LYS H H 1 9.21 0.02 . 1 . . . . 434 . . . 5628 2
19 . 1 1 159 159 LYS N N 15 121.5 0.05 . 1 . . . . 434 . . . 5628 2
stop_
save_