Content for NMR-STAR saveframe, "chemical_shift_assignment_CcrA_2H"
save_chemical_shift_assignment_CcrA_2H
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_assignment_CcrA_2H
_Assigned_chem_shift_list.Entry_ID 4102
_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
_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 save frame contains the set of CB resonance assignments which could
only be identified using [86% 2H; U-13C; U-15N]-labeled CcrA. Chemical
shifts have not been corrected for the deuterium-isotope effect.
;
_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
. . 3 $sample_three . 4102 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 35 35 VAL CB C 13 34.2 0.2 . 1 . . . . . . . . 4102 2
2 . 1 1 53 53 THR CB C 13 67.9 0.2 . 1 . . . . . . . . 4102 2
3 . 1 1 61 61 GLU CB C 13 27.3 0.2 . 1 . . . . . . . . 4102 2
4 . 1 1 71 71 LEU CB C 13 38.8 0.2 . 1 . . . . . . . . 4102 2
5 . 1 1 79 79 ILE CB C 13 42.8 0.2 . 1 . . . . . . . . 4102 2
6 . 1 1 82 82 HIS CB C 13 26.2 0.2 . 1 . . . . . . . . 4102 2
7 . 1 1 107 107 THR CB C 13 66.7 0.2 . 1 . . . . . . . . 4102 2
8 . 1 1 108 108 ILE CB C 13 36.5 0.2 . 1 . . . . . . . . 4102 2
9 . 1 1 116 116 LEU CB C 13 40.3 0.2 . 1 . . . . . . . . 4102 2
10 . 1 1 123 123 PHE CB C 13 41.8 0.2 . 1 . . . . . . . . 4102 2
11 . 1 1 134 134 MET CB C 13 32.3 0.2 . 1 . . . . . . . . 4102 2
12 . 1 1 141 141 LEU CB C 13 41.7 0.2 . 1 . . . . . . . . 4102 2
13 . 1 1 149 149 ASN CB C 13 39.8 0.2 . 1 . . . . . . . . 4102 2
14 . 1 1 154 154 LEU CB C 13 39.1 0.2 . 1 . . . . . . . . 4102 2
15 . 1 1 164 164 CYS CB C 13 26.6 0.2 . 1 . . . . . . . . 4102 2
16 . 1 1 171 171 ALA CB C 13 18.6 0.2 . 1 . . . . . . . . 4102 2
17 . 1 1 178 178 SER CB C 13 62.9 0.2 . 1 . . . . . . . . 4102 2
18 . 1 1 185 185 TRP CB C 13 27.3 0.2 . 1 . . . . . . . . 4102 2
19 . 1 1 188 188 THR CB C 13 67.1 0.2 . 1 . . . . . . . . 4102 2
20 . 1 1 196 196 PHE CB C 13 36.8 0.2 . 1 . . . . . . . . 4102 2
21 . 1 1 203 203 VAL CB C 13 33.00 0.2 . 1 . . . . . . . . 4102 2
22 . 1 1 214 214 LEU CB C 13 40.9 0.2 . 1 . . . . . . . . 4102 2
23 . 1 1 218 218 THR CB C 13 62.4 0.2 . 1 . . . . . . . . 4102 2
24 . 1 1 231 231 LYS CB C 13 31.3 0.2 . 1 . . . . . . . . 4102 2
stop_
save_