Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 19534
_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
;
We determined the structure of a multi-domain protein-RNA complex, which is
simultaneously present in two conformations in solution. While we observe only
one set of resonances for the atoms located on the isolated/rigid domains, some
resonances at the connections between the different domains are appearing as two
separated peaks, each belonging to one of the two conformations simultaneously
present in solution (conformations, which are in slow exchange in respect to the
NMR chemical shift timescale). However, we are not able to assign those peaks to
a specific conformation.
Because of this ambiguity, we have assigned the same chemical shift list (BMRB
entry 19534) to both conformations that have a separate pdb code (2mf0 for
conformer L and 2mf1 for conformer R).
;
_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 '2D 1H-15N HSQC' . . . 19534 2
2 '2D 1H-15N HSQC' . . . 19534 2
3 '2D 1H-15N HSQC' . . . 19534 2
4 '2D 1H-15N HSQC' . . . 19534 2
5 '2D 1H-15N HSQC' . . . 19534 2
6 '2D 1H-13C TROSY' . . . 19534 2
7 '2D 1H-13C TROSY' . . . 19534 2
8 '2D 1H-13C TROSY' . . . 19534 2
9 '2D 1H-13C TROSY' . . . 19534 2
10 '2D 1H-13C TROSY' . . . 19534 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 . 2 2 38 38 A H1' H 1 6.037 0.009 . 9 . . . G 38 A H1' . 19534 2
2 . 2 2 38 38 A H2 H 1 8.248 0.013 . 9 . . . G 38 A H2 . 19534 2
3 . 2 2 38 38 A H8 H 1 8.405 0.02 . 9 . . . G 38 A H8 . 19534 2
4 . 2 2 38 38 A C1' C 13 90.457 0.006 . 9 . . . G 38 A C1' . 19534 2
5 . 2 2 38 38 A C2 C 13 155.178 0.1 . 9 . . . G 38 A C2 . 19534 2
6 . 2 2 38 38 A C8 C 13 144.035 0.1 . 9 . . . G 38 A C8 . 19534 2
7 . 2 2 41 41 A H1' H 1 6.418 0.02 . 9 . . . G 41 A H1' . 19534 2
8 . 2 2 41 41 A H2 H 1 8.142 0.02 . 9 . . . G 41 A H2 . 19534 2
9 . 2 2 41 41 A C1' C 13 91.464 0.1 . 9 . . . G 41 A C1' . 19534 2
10 . 2 2 41 41 A C2 C 13 155.587 0.1 . 9 . . . G 41 A C2 . 19534 2
11 . 2 2 55 55 G H1 H 1 12.091 0.02 . 9 . . . G 55 G H1 . 19534 2
12 . 2 2 55 55 G N1 N 15 146.691 0.1 . 9 . . . G 55 G N1 . 19534 2
stop_
save_