Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 51629
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Clovibactin unbound'
_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
1 '2D 1H-15N HSQC' . . . 51629 1
2 '2D 1H-13C HSQC' . . . 51629 1
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_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 . . 51629 1
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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 1 1 PHE CA C 13 57.3 . . . . . . . . 1 PHE CA . 51629 1
2 . 1 . 1 1 1 PHE CB C 13 39.1 . . . . . . . . 1 PHE CB . 51629 1
3 . 1 . 1 2 2 DLE H H 1 8.4 . . . . . . . . 2 DLE H . 51629 1
4 . 1 . 1 2 2 DLE CA C 13 55.5 . . . . . . . . 2 DLE CA . 51629 1
5 . 1 . 1 2 2 DLE CB C 13 42.2 . . . . . . . . 2 DLE CB . 51629 1
6 . 1 . 1 2 2 DLE N N 15 127.9 . . . . . . . . 2 DLE N . 51629 1
7 . 1 . 1 3 3 DLY H H 1 8.3 . . . . . . . . 3 DLY H . 51629 1
8 . 1 . 1 3 3 DLY CA C 13 56.2 . . . . . . . . 3 DLY CA . 51629 1
9 . 1 . 1 3 3 DLY CB C 13 32.8 . . . . . . . . 3 DLY CB . 51629 1
10 . 1 . 1 3 3 DLY N N 15 121.8 . . . . . . . . 3 DLY N . 51629 1
11 . 1 . 1 4 4 SER H H 1 8.1 . . . . . . . . 4 SER H . 51629 1
12 . 1 . 1 4 4 SER CA C 13 58.8 . . . . . . . . 4 SER CA . 51629 1
13 . 1 . 1 4 4 SER CB C 13 63.9 . . . . . . . . 4 SER CB . 51629 1
14 . 1 . 1 4 4 SER N N 15 117.7 . . . . . . . . 4 SER N . 51629 1
15 . 1 . 1 5 5 HYN H H 1 8.9 . . . . . . . . 5 HYN H . 51629 1
16 . 1 . 1 5 5 HYN CA C 13 56.4 . . . . . . . . 5 HYN CA . 51629 1
17 . 1 . 1 5 5 HYN CB C 13 76.1 . . . . . . . . 5 HYN CB . 51629 1
18 . 1 . 1 5 5 HYN N N 15 112.9 . . . . . . . . 5 HYN N . 51629 1
19 . 1 . 1 5 5 HYN ND N 15 107.3 . . . . . . . . 5 HYN ND . 51629 1
20 . 1 . 1 6 6 ALA H H 1 8.1 . . . . . . . . 6 ALA H . 51629 1
21 . 1 . 1 6 6 ALA CA C 13 55.3 . . . . . . . . 6 ALA CA . 51629 1
22 . 1 . 1 6 6 ALA CB C 13 18.4 . . . . . . . . 6 ALA CB . 51629 1
23 . 1 . 1 6 6 ALA N N 15 126.1 . . . . . . . . 6 ALA N . 51629 1
24 . 1 . 1 7 7 LEU H H 1 7.8 . . . . . . . . 7 LEU H . 51629 1
25 . 1 . 1 7 7 LEU CA C 13 56.0 . . . . . . . . 7 LEU CA . 51629 1
26 . 1 . 1 7 7 LEU CB C 13 42.3 . . . . . . . . 7 LEU CB . 51629 1
27 . 1 . 1 7 7 LEU N N 15 117.0 . . . . . . . . 7 LEU N . 51629 1
28 . 1 . 1 8 8 LEU H H 1 7.9 . . . . . . . . 8 LEU H . 51629 1
29 . 1 . 1 8 8 LEU CA C 13 54.2 . . . . . . . . 8 LEU CA . 51629 1
30 . 1 . 1 8 8 LEU CB C 13 42.1 . . . . . . . . 8 LEU CB . 51629 1
31 . 1 . 1 8 8 LEU N N 15 118.6 . . . . . . . . 8 LEU N . 51629 1
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