Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 28123
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 'Methionine sulfoxide, has a chiral center at the sulfor, therefore we see 2 signal sets for MHO4 CA/HA.'
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
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_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-13C HSQC' . . . 28123 1
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loop_
_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 1 1 ACE H1 H 1 2.071 0.000 . 1 . . . . . 1 ACE H . 28123 1
2 . 1 . 1 1 1 ACE H2 H 1 2.071 0.000 . 1 . . . . . 1 ACE H . 28123 1
3 . 1 . 1 1 1 ACE H3 H 1 2.071 0.000 . 1 . . . . . 1 ACE H . 28123 1
4 . 1 . 1 2 2 GLY HA2 H 1 3.967 0.000 . 2 . . . . . 2 GLY HA . 28123 1
5 . 1 . 1 2 2 GLY HA3 H 1 3.967 0.000 . 2 . . . . . 2 GLY HA . 28123 1
6 . 1 . 1 2 2 GLY CA C 13 45.424 0.000 . 1 . . . . . 2 GLY CA . 28123 1
7 . 1 . 1 3 3 GLY HA2 H 1 4.011 0.000 . 2 . . . . . 3 GLY HA . 28123 1
8 . 1 . 1 3 3 GLY HA3 H 1 4.011 0.000 . 2 . . . . . 3 GLY HA . 28123 1
9 . 1 . 1 3 3 GLY CA C 13 45.345 0.000 . 1 . . . . . 3 GLY CA . 28123 1
10 . 1 . 1 4 4 MHO HA H 1 4.556 0.000 . 1 . . . . . 4 MHO HA . 28123 1
11 . 1 . 1 4 4 MHO HB2 H 1 2.333 0.004 . 2 . . . . . 4 MHO HB2 . 28123 1
12 . 1 . 1 4 4 MHO HB3 H 1 2.182 0.004 . 2 . . . . . 4 MHO HB3 . 28123 1
13 . 1 . 1 4 4 MHO HG2 H 1 2.958 0.006 . 2 . . . . . 4 MHO HG2 . 28123 1
14 . 1 . 1 4 4 MHO HG3 H 1 2.919 0.002 . 2 . . . . . 4 MHO HG3 . 28123 1
15 . 1 . 1 4 4 MHO HE H 1 2.717 0.000 . 1 . . . . . 4 MHO HE . 28123 1
16 . 1 . 1 4 4 MHO CA C 13 55.494 0.000 . 1 . . . . . 4 MHO CA . 28123 1
17 . 1 . 1 4 4 MHO CB C 13 27.059 0.003 . 1 . . . . . 4 MHO CB . 28123 1
18 . 1 . 1 4 4 MHO CG C 13 51.618 0.001 . 1 . . . . . 4 MHO CG . 28123 1
19 . 1 . 1 4 4 MHO CE C 13 39.462 0.000 . 1 . . . . . 4 MHO CE . 28123 1
20 . 1 . 1 5 5 GLY HA2 H 1 4.011 0.000 . 2 . . . . . 5 GLY HA . 28123 1
21 . 1 . 1 5 5 GLY HA3 H 1 4.011 0.000 . 2 . . . . . 5 GLY HA . 28123 1
22 . 1 . 1 5 5 GLY CA C 13 45.344 0.000 . 1 . . . . . 5 GLY CA . 28123 1
23 . 1 . 1 6 6 GLY HA2 H 1 3.939 0.000 . 2 . . . . . 6 GLY HA . 28123 1
24 . 1 . 1 6 6 GLY HA3 H 1 3.939 0.000 . 2 . . . . . 6 GLY HA . 28123 1
25 . 1 . 1 6 6 GLY CA C 13 44.874 0.000 . 1 . . . . . 6 GLY CA . 28123 1
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save_