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 50938
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Teixobactin chemical shift'
_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 CC' . . . 50938 1
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 . . 50938 1
stop_
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 DPH H H 1 8.8 . . . . . . . . 1 DPH H . 50938 1
2 . 1 . 1 1 1 DPH C C 13 170.5 . . . . . . . . 1 DPH C . 50938 1
3 . 1 . 1 1 1 DPH CA C 13 64.7 . . . . . . . . 1 DPH CA . 50938 1
4 . 1 . 1 1 1 DPH CB C 13 38.6 . . . . . . . . 1 DPH CB . 50938 1
5 . 1 . 1 1 1 DPH CG C 13 139.1 . . . . . . . . 1 DPH CG . 50938 1
6 . 1 . 1 1 1 DPH CD C 13 132.0 . . . . . . . . 1 DPH CD . 50938 1
7 . 1 . 1 1 1 DPH CE C 13 132.0 . . . . . . . . 1 DPH CE . 50938 1
8 . 1 . 1 1 1 DPH CZ C 13 132.0 . . . . . . . . 1 DPH CZ . 50938 1
9 . 1 . 1 1 1 DPH CN C 13 34.1 . . . . . . . . 1 DPH CN . 50938 1
10 . 1 . 1 1 1 DPH N N 15 40.7 . . . . . . . . 1 DPH N . 50938 1
11 . 1 . 1 2 2 ILE H H 1 8.9 . . . . . . . . 2 ILE H . 50938 1
12 . 1 . 1 2 2 ILE C C 13 174.1 . . . . . . . . 2 ILE C . 50938 1
13 . 1 . 1 2 2 ILE CA C 13 59.6 . . . . . . . . 2 ILE CA . 50938 1
14 . 1 . 1 2 2 ILE CB C 13 43.3 . . . . . . . . 2 ILE CB . 50938 1
15 . 1 . 1 2 2 ILE CG1 C 13 26.4 . . . . . . . . 2 ILE CG1 . 50938 1
16 . 1 . 1 2 2 ILE CG2 C 13 18.4 . . . . . . . . 2 ILE CG2 . 50938 1
17 . 1 . 1 2 2 ILE CD1 C 13 15.4 . . . . . . . . 2 ILE CD1 . 50938 1
18 . 1 . 1 2 2 ILE N N 15 128.9 . . . . . . . . 2 ILE N . 50938 1
19 . 1 . 1 3 3 SER H H 1 9.6 . . . . . . . . 3 SER H . 50938 1
20 . 1 . 1 3 3 SER C C 13 173.2 . . . . . . . . 3 SER C . 50938 1
21 . 1 . 1 3 3 SER CA C 13 57. . . . . . . . . 3 SER CA . 50938 1
22 . 1 . 1 3 3 SER CB C 13 67.1 . . . . . . . . 3 SER CB . 50938 1
23 . 1 . 1 3 3 SER N N 15 119.7 . . . . . . . . 3 SER N . 50938 1
24 . 1 . 1 4 4 DGN H H 1 9.0 . . . . . . . . 4 DGN H . 50938 1
25 . 1 . 1 4 4 DGN C C 13 175.1 . . . . . . . . 4 DGN C . 50938 1
26 . 1 . 1 4 4 DGN CA C 13 55.7 . . . . . . . . 4 DGN CA . 50938 1
27 . 1 . 1 4 4 DGN CB C 13 32.8 . . . . . . . . 4 DGN CB . 50938 1
28 . 1 . 1 4 4 DGN CG C 13 34.1 . . . . . . . . 4 DGN CG . 50938 1
29 . 1 . 1 4 4 DGN CD C 13 181.3 . . . . . . . . 4 DGN CD . 50938 1
30 . 1 . 1 4 4 DGN N N 15 121.0 . . . . . . . . 4 DGN N . 50938 1
31 . 1 . 1 5 5 28J H H 1 8.5 . . . . . . . . 5 28J H . 50938 1
32 . 1 . 1 5 5 28J C C 13 175.8 . . . . . . . . 5 28J C . 50938 1
33 . 1 . 1 5 5 28J CA C 13 58.0 . . . . . . . . 5 28J CA . 50938 1
34 . 1 . 1 5 5 28J CB C 13 44.8 . . . . . . . . 5 28J CB . 50938 1
35 . 1 . 1 5 5 28J CG1 C 13 30.7 . . . . . . . . 5 28J CG1 . 50938 1
36 . 1 . 1 5 5 28J CG2 C 13 17.5 . . . . . . . . 5 28J CG2 . 50938 1
37 . 1 . 1 5 5 28J CD1 C 13 15.9 . . . . . . . . 5 28J CD1 . 50938 1
38 . 1 . 1 5 5 28J N N 15 112.6 . . . . . . . . 5 28J N . 50938 1
39 . 1 . 1 6 6 ILE H H 1 8.6 . . . . . . . . 6 ILE H . 50938 1
40 . 1 . 1 6 6 ILE C C 13 177.2 . . . . . . . . 6 ILE C . 50938 1
41 . 1 . 1 6 6 ILE CA C 13 56.8 . . . . . . . . 6 ILE CA . 50938 1
42 . 1 . 1 6 6 ILE CB C 13 38.9 . . . . . . . . 6 ILE CB . 50938 1
43 . 1 . 1 6 6 ILE CG1 C 13 27.7 . . . . . . . . 6 ILE CG1 . 50938 1
44 . 1 . 1 6 6 ILE CG2 C 13 19.1 . . . . . . . . 6 ILE CG2 . 50938 1
45 . 1 . 1 6 6 ILE CD1 C 13 12.1 . . . . . . . . 6 ILE CD1 . 50938 1
46 . 1 . 1 6 6 ILE N N 15 120.7 . . . . . . . . 6 ILE N . 50938 1
47 . 1 . 1 7 7 SER H H 1 11.2 . . . . . . . . 7 SER H . 50938 1
48 . 1 . 1 7 7 SER C C 13 178.2 . . . . . . . . 7 SER C . 50938 1
49 . 1 . 1 7 7 SER CA C 13 61.3 . . . . . . . . 7 SER CA . 50938 1
50 . 1 . 1 7 7 SER CB C 13 65.4 . . . . . . . . 7 SER CB . 50938 1
51 . 1 . 1 7 7 SER N N 15 126.2 . . . . . . . . 7 SER N . 50938 1
52 . 1 . 1 8 8 DTC H H 1 8.7 . . . . . . . . 8 DTC H . 50938 1
53 . 1 . 1 8 8 DTC C C 13 173.3 . . . . . . . . 8 DTC C . 50938 1
54 . 1 . 1 8 8 DTC CA C 13 58.8 . . . . . . . . 8 DTC CA . 50938 1
55 . 1 . 1 8 8 DTC CB C 13 72.6 . . . . . . . . 8 DTC CB . 50938 1
56 . 1 . 1 8 8 DTC CG2 C 13 18.7 . . . . . . . . 8 DTC CG2 . 50938 1
57 . 1 . 1 8 8 DTC N N 15 110.8 . . . . . . . . 8 DTC N . 50938 1
58 . 1 . 1 9 9 ALA H H 1 9.0 . . . . . . . . 9 ALA H . 50938 1
59 . 1 . 1 9 9 ALA C C 13 179.6 . . . . . . . . 9 ALA C . 50938 1
60 . 1 . 1 9 9 ALA CA C 13 56.4 . . . . . . . . 9 ALA CA . 50938 1
61 . 1 . 1 9 9 ALA CB C 13 19.5 . . . . . . . . 9 ALA CB . 50938 1
62 . 1 . 1 9 9 ALA N N 15 127.8 . . . . . . . . 9 ALA N . 50938 1
63 . 1 . 1 10 10 ENN H H 1 9.6 . . . . . . . . 10 ENN H . 50938 1
64 . 1 . 1 10 10 ENN C C 13 175.6 . . . . . . . . 10 ENN C . 50938 1
65 . 1 . 1 10 10 ENN CA C 13 54.9 . . . . . . . . 10 ENN CA . 50938 1
66 . 1 . 1 10 10 ENN CB C 13 40.5 . . . . . . . . 10 ENN CB . 50938 1
67 . 1 . 1 10 10 ENN CG C 13 55.0 . . . . . . . . 10 ENN CG . 50938 1
68 . 1 . 1 10 10 ENN CD C 13 51.7 . . . . . . . . 10 ENN CD . 50938 1
69 . 1 . 1 10 10 ENN CZ C 13 163.0 . . . . . . . . 10 ENN CZ . 50938 1
70 . 1 . 1 10 10 ENN N N 15 110.9 . . . . . . . . 10 ENN N . 50938 1
71 . 1 . 1 11 11 ILE H H 1 8.7 . . . . . . . . 11 ILE H . 50938 1
72 . 1 . 1 11 11 ILE C C 13 173.0 . . . . . . . . 11 ILE C . 50938 1
73 . 1 . 1 11 11 ILE CA C 13 61.3 . . . . . . . . 11 ILE CA . 50938 1
74 . 1 . 1 11 11 ILE CB C 13 39.4 . . . . . . . . 11 ILE CB . 50938 1
75 . 1 . 1 11 11 ILE CG1 C 13 28.2 . . . . . . . . 11 ILE CG1 . 50938 1
76 . 1 . 1 11 11 ILE CG2 C 13 18.1 . . . . . . . . 11 ILE CG2 . 50938 1
77 . 1 . 1 11 11 ILE CD1 C 13 15.6 . . . . . . . . 11 ILE CD1 . 50938 1
78 . 1 . 1 11 11 ILE N N 15 117.7 . . . . . . . . 11 ILE N . 50938 1
stop_
save_