Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50766
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'ORF1 1-53'
_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 $chem_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
;
These are the degenerate peaks most likely due to proline cis/trans isomerization.
The assignments in this saveframe are for the minor population.
;
_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' . . . 50766 2
2 '3D HNCA' . . . 50766 2
3 '3D HNCACB' . . . 50766 2
4 '3D HNCO' . . . 50766 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 50766 2
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_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 16 16 SER C C 13 174.093 0.00 . . . . . . . 16 SER C . 50766 2
2 . 1 . 1 16 16 SER CA C 13 58.267 0.00 . . . . . . . 16 SER CA . 50766 2
3 . 1 . 1 16 16 SER CB C 13 64.178 0.00 . . . . . . . 16 SER CB . 50766 2
4 . 1 . 1 17 17 ALA H H 1 8.340 0.00 . . . . . . . 17 ALA H . 50766 2
5 . 1 . 1 17 17 ALA C C 13 176.461 0.00 . . . . . . . 17 ALA C . 50766 2
6 . 1 . 1 17 17 ALA CA C 13 52.510 0.03 . . . . . . . 17 ALA CA . 50766 2
7 . 1 . 1 17 17 ALA CB C 13 19.662 0.01 . . . . . . . 17 ALA CB . 50766 2
8 . 1 . 1 17 17 ALA N N 15 126.198 0.02 . . . . . . . 17 ALA N . 50766 2
9 . 1 . 1 18 18 SER H H 1 8.059 0.00 . . . . . . . 18 SER H . 50766 2
10 . 1 . 1 18 18 SER CA C 13 55.090 0.01 . . . . . . . 18 SER CA . 50766 2
11 . 1 . 1 18 18 SER CB C 13 64.591 0.00 . . . . . . . 18 SER CB . 50766 2
12 . 1 . 1 18 18 SER N N 15 114.865 0.01 . . . . . . . 18 SER N . 50766 2
13 . 1 . 1 28 28 PRO C C 13 176.072 0.00 . . . . . . . 28 PRO C . 50766 2
14 . 1 . 1 28 28 PRO CA C 13 62.917 0.00 . . . . . . . 28 PRO CA . 50766 2
15 . 1 . 1 28 28 PRO CB C 13 34.422 0.00 . . . . . . . 28 PRO CB . 50766 2
16 . 1 . 1 29 29 ALA H H 1 8.669 0.00 . . . . . . . 29 ALA H . 50766 2
17 . 1 . 1 29 29 ALA C C 13 178.025 0.00 . . . . . . . 29 ALA C . 50766 2
18 . 1 . 1 29 29 ALA CA C 13 52.895 0.02 . . . . . . . 29 ALA CA . 50766 2
19 . 1 . 1 29 29 ALA CB C 13 19.184 0.00 . . . . . . . 29 ALA CB . 50766 2
20 . 1 . 1 29 29 ALA N N 15 125.487 0.02 . . . . . . . 29 ALA N . 50766 2
21 . 1 . 1 30 30 THR H H 1 8.177 0.00 . . . . . . . 30 THR H . 50766 2
22 . 1 . 1 30 30 THR CA C 13 61.745 0.00 . . . . . . . 30 THR CA . 50766 2
23 . 1 . 1 30 30 THR CB C 13 70.125 0.00 . . . . . . . 30 THR CB . 50766 2
24 . 1 . 1 30 30 THR N N 15 113.376 0.01 . . . . . . . 30 THR N . 50766 2
stop_
save_