Content for NMR-STAR saveframe, "assigned_chemical_shifts_3"
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 51066
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name 'Assignment of S100A9 in Calprotectin in Calprotectin in the Presence of Excess Ca(II) Ions'
_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 .
_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
10 '2D 1H-15N HSQC' . . . 51066 3
11 '2D 1H-15N HSQC' . . . 51066 3
12 '2D 1H-15N HSQC' . . . 51066 3
13 '2D 1H-15N HSQC' . . . 51066 3
14 '2D 1H-15N HSQC' . . . 51066 3
15 '2D 1H-15N TROSY' . . . 51066 3
16 '3D HNCACB' . . . 51066 3
17 '3D HNCO' . . . 51066 3
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
1 $software_1 . . 51066 3
2 $software_2 . . 51066 3
4 $software_4 . . 51066 3
5 $software_5 . . 51066 3
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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 . 2 . 2 107 107 PRO C C 13 174.018 . . . . . . . . 107 P C . 51066 3
2 . 2 . 2 108 108 GLY H H 1 8.649 . . . . . . . . 108 G H . 51066 3
3 . 2 . 2 108 108 GLY C C 13 171.191 . . . . . . . . 108 G C . 51066 3
4 . 2 . 2 108 108 GLY CA C 13 43.454 . . . . . . . . 108 G CA . 51066 3
5 . 2 . 2 108 108 GLY N N 15 109.617 . . . . . . . . 108 G N . 51066 3
6 . 2 . 2 109 109 LEU H H 1 8.41 . . . . . . . . 109 L H . 51066 3
7 . 2 . 2 109 109 LEU CA C 13 53.6 . . . . . . . . 109 L CA . 51066 3
8 . 2 . 2 109 109 LEU CB C 13 39.854 . . . . . . . . 109 L CB . 51066 3
9 . 2 . 2 109 109 LEU N N 15 121.26 . . . . . . . . 109 L N . 51066 3
10 . 2 . 2 112 112 GLY H H 1 8.534 . . . . . . . . 112 G H . 51066 3
11 . 2 . 2 112 112 GLY C C 13 170.231 . . . . . . . . 112 G C . 51066 3
12 . 2 . 2 112 112 GLY CA C 13 43.52 . . . . . . . . 112 G CA . 51066 3
13 . 2 . 2 112 112 GLY N N 15 109.623 . . . . . . . . 112 G N . 51066 3
14 . 2 . 2 113 113 THR H H 1 7.807 . . . . . . . . 113 T H . 51066 3
15 . 2 . 2 113 113 THR CA C 13 56.974 . . . . . . . . 113 T CA . 51066 3
16 . 2 . 2 113 113 THR CB C 13 68.575 . . . . . . . . 113 T CB . 51066 3
17 . 2 . 2 113 113 THR N N 15 113.231 . . . . . . . . 113 T N . 51066 3
stop_
save_