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 52013
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Clovibactin_assigned_chem_shift_list
_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
6 '2D 1H-15N HSQC' . . . 52013 1
7 '2D 1H-13C HSQC' . . . 52013 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 . . 52013 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 PHE H H 1 8.21 0.00 . 1 . . . . . 1 PHE HT1 . 52013 1
2 . 1 . 1 1 1 PHE HA H 1 4.11 0.00 . 1 . . . . . 1 PHE HA . 52013 1
3 . 1 . 1 1 1 PHE HB2 H 1 3.01 0.00 . 1 . . . . . 1 PHE HB1 . 52013 1
4 . 1 . 1 1 1 PHE HB3 H 1 3.01 0.00 . 1 . . . . . 1 PHE HB2 . 52013 1
5 . 1 . 1 1 1 PHE HD1 H 1 7.27 0.00 . 1 . . . . . 1 PHE HD1 . 52013 1
6 . 1 . 1 1 1 PHE HD2 H 1 7.27 0.00 . 1 . . . . . 1 PHE HD2 . 52013 1
7 . 1 . 1 1 1 PHE HE1 H 1 7.33 0.00 . 1 . . . . . 1 PHE HE1 . 52013 1
8 . 1 . 1 1 1 PHE HE2 H 1 7.33 0.00 . 1 . . . . . 1 PHE HE2 . 52013 1
9 . 1 . 1 1 1 PHE HZ H 1 7.28 0.00 . 1 . . . . . 1 PHE HZ . 52013 1
10 . 1 . 1 1 1 PHE CA C 13 53.63 0.00 . 1 . . . . . 1 PHE CA . 52013 1
11 . 1 . 1 1 1 PHE CB C 13 37.52 0.00 . 1 . . . . . 1 PHE CB . 52013 1
12 . 1 . 1 1 1 PHE CG C 13 135.32 0.00 . 1 . . . . . 1 PHE CG . 52013 1
13 . 1 . 1 1 1 PHE CD1 C 13 129.94 0.00 . 1 . . . . . 1 PHE CD1 . 52013 1
14 . 1 . 1 1 1 PHE CD2 C 13 129.94 0.00 . 1 . . . . . 1 PHE CD2 . 52013 1
15 . 1 . 1 1 1 PHE CE1 C 13 128.98 0.00 . 1 . . . . . 1 PHE CE1 . 52013 1
16 . 1 . 1 1 1 PHE CE2 C 13 128.98 0.00 . 1 . . . . . 1 PHE CE2 . 52013 1
17 . 1 . 1 1 1 PHE CZ C 13 127.63 0.00 . 1 . . . . . 1 PHE CZ . 52013 1
18 . 1 . 1 1 1 PHE N N 15 39.20 0.00 . 1 . . . . . 1 PHE N . 52013 1
19 . 1 . 1 2 2 DLE HA H 1 4.30 0.00 . 1 . . . . . 2 DLE HA . 52013 1
20 . 1 . 1 2 2 DLE HB2 H 1 1.34 0.00 . 1 . . . . . 2 DLE HB1 . 52013 1
21 . 1 . 1 2 2 DLE HB3 H 1 1.52 0.00 . 1 . . . . . 2 DLE HB2 . 52013 1
22 . 1 . 1 2 2 DLE HG H 1 1.21 0.00 . 1 . . . . . 2 DLE HG . 52013 1
23 . 1 . 1 2 2 DLE HD11 H 1 0.75 0.00 . 1 . . . . . 2 DLE HD11 . 52013 1
24 . 1 . 1 2 2 DLE HD12 H 1 0.75 0.00 . 1 . . . . . 2 DLE HD12 . 52013 1
25 . 1 . 1 2 2 DLE HD13 H 1 0.75 0.00 . 1 . . . . . 2 DLE HD13 . 52013 1
26 . 1 . 1 2 2 DLE HD21 H 1 0.79 0.00 . 1 . . . . . 2 DLE HD21 . 52013 1
27 . 1 . 1 2 2 DLE HD22 H 1 0.79 0.00 . 1 . . . . . 2 DLE HD22 . 52013 1
28 . 1 . 1 2 2 DLE HD23 H 1 0.79 0.00 . 1 . . . . . 2 DLE HD23 . 52013 1
29 . 1 . 1 2 2 DLE HN H 1 8.62 0.00 . 1 . . . . . 2 DLE HN . 52013 1
30 . 1 . 1 2 2 DLE CA C 13 51.26 0.00 . 1 . . . . . 2 DLE CA . 52013 1
31 . 1 . 1 2 2 DLE CB C 13 41.43 0.00 . 1 . . . . . 2 DLE CB . 52013 1
32 . 1 . 1 2 2 DLE CG C 13 23.98 0.00 . 1 . . . . . 2 DLE CG . 52013 1
33 . 1 . 1 2 2 DLE CD1 C 13 21.78 0.00 . 1 . . . . . 2 DLE CD1 . 52013 1
34 . 1 . 1 2 2 DLE CD2 C 13 23.51 0.00 . 1 . . . . . 2 DLE CD2 . 52013 1
35 . 1 . 1 2 2 DLE N N 15 123.10 0.00 . 1 . . . . . 2 DLE N . 52013 1
36 . 1 . 1 3 3 DLY HA H 1 4.33 0.00 . 1 . . . . . 3 DLY HA . 52013 1
37 . 1 . 1 3 3 DLY HB2 H 1 1.53 0.00 . 1 . . . . . 3 DLY HB1 . 52013 1
38 . 1 . 1 3 3 DLY HB3 H 1 1.68 0.00 . 1 . . . . . 3 DLY HB2 . 52013 1
39 . 1 . 1 3 3 DLY HG2 H 1 1.28 0.00 . 1 . . . . . 3 DLY HG1 . 52013 1
40 . 1 . 1 3 3 DLY HG3 H 1 1.33 0.00 . 1 . . . . . 3 DLY HG2 . 52013 1
41 . 1 . 1 3 3 DLY HD2 H 1 1.52 0.00 . 1 . . . . . 3 DLY HD1 . 52013 1
42 . 1 . 1 3 3 DLY HD3 H 1 1.52 0.00 . 1 . . . . . 3 DLY HD2 . 52013 1
43 . 1 . 1 3 3 DLY HE2 H 1 2.74 0.00 . 1 . . . . . 3 DLY HE1 . 52013 1
44 . 1 . 1 3 3 DLY HE3 H 1 2.74 0.00 . 1 . . . . . 3 DLY HE2 . 52013 1
45 . 1 . 1 3 3 DLY HZ1 H 1 7.78 0.00 . 1 . . . . . 3 DLY HZ1 . 52013 1
46 . 1 . 1 3 3 DLY HZ2 H 1 7.78 0.00 . 1 . . . . . 3 DLY HZ2 . 52013 1
47 . 1 . 1 3 3 DLY HZ3 H 1 7.78 0.00 . 1 . . . . . 3 DLY HZ3 . 52013 1
48 . 1 . 1 3 3 DLY HN H 1 8.22 0.00 . 1 . . . . . 3 DLY HN . 52013 1
49 . 1 . 1 3 3 DLY CA C 13 52.54 0.00 . 1 . . . . . 3 DLY CA . 52013 1
50 . 1 . 1 3 3 DLY CB C 13 31.45 0.00 . 1 . . . . . 3 DLY CB . 52013 1
51 . 1 . 1 3 3 DLY CG C 13 22.57 0.00 . 1 . . . . . 3 DLY CG . 52013 1
52 . 1 . 1 3 3 DLY CD C 13 26.77 0.00 . 1 . . . . . 3 DLY CD . 52013 1
53 . 1 . 1 3 3 DLY CE C 13 38.97 0.00 . 1 . . . . . 3 DLY CE . 52013 1
54 . 1 . 1 3 3 DLY N N 15 118.0 0.00 . 1 . . . . . 3 DLY N . 52013 1
55 . 1 . 1 3 3 DLY NZ N 15 33.30 0.00 . 1 . . . . . 3 DLY NZ . 52013 1
56 . 1 . 1 4 4 SER HA H 1 4.41 0.00 . 1 . . . . . 4 SER HA . 52013 1
57 . 1 . 1 4 4 SER HB2 H 1 3.41 0.00 . 1 . . . . . 4 SER HB1 . 52013 1
58 . 1 . 1 4 4 SER HB3 H 1 3.59 0.00 . 1 . . . . . 4 SER HB2 . 52013 1
59 . 1 . 1 4 4 SER HN H 1 7.91 0.00 . 1 . . . . . 4 SER HN . 52013 1
60 . 1 . 1 4 4 SER CA C 13 56.14 0.00 . 1 . . . . . 4 SER CA . 52013 1
61 . 1 . 1 4 4 SER CB C 13 61.71 0.00 . 1 . . . . . 4 SER CB . 52013 1
62 . 1 . 1 4 4 SER N N 15 113.30 0.00 . 1 . . . . . 4 SER N . 52013 1
63 . 1 . 1 5 5 AHB HA H 1 5.03 0.00 . 1 . . . . . 5 AHB HA . 52013 1
64 . 1 . 1 5 5 AHB HB H 1 5.28 0.00 . 1 . . . . . 5 AHB HB1 . 52013 1
65 . 1 . 1 5 5 AHB HD21 H 1 7.4 0.00 . 1 . . . . . 5 AHB HD21 . 52013 1
66 . 1 . 1 5 5 AHB HD22 H 1 7.88 0.00 . 1 . . . . . 5 AHB HD22 . 52013 1
67 . 1 . 1 5 5 AHB HN H 1 8.1 0.00 . 1 . . . . . 5 AHB HN . 52013 1
68 . 1 . 1 5 5 AHB CA C 13 53.46 0.00 . 1 . . . . . 5 AHB CA . 52013 1
69 . 1 . 1 5 5 AHB CB C 13 73.74 0.00 . 1 . . . . . 5 AHB CB . 52013 1
70 . 1 . 1 5 5 AHB N N 15 109.6 0.00 . 1 . . . . . 5 AHB N . 52013 1
71 . 1 . 1 5 5 AHB ND2 N 15 106.1 0.00 . 1 . . . . . 5 AHB ND2 . 52013 1
72 . 1 . 1 6 6 ALA HA H 1 3.99 0.00 . 1 . . . . . 6 ALA HA . 52013 1
73 . 1 . 1 6 6 ALA HB1 H 1 1.34 0.00 . 1 . . . . . 6 ALA HB1 . 52013 1
74 . 1 . 1 6 6 ALA HB2 H 1 1.34 0.00 . 1 . . . . . 6 ALA HB2 . 52013 1
75 . 1 . 1 6 6 ALA HB3 H 1 1.34 0.00 . 1 . . . . . 6 ALA HB3 . 52013 1
76 . 1 . 1 6 6 ALA HN H 1 8.32 0.00 . 1 . . . . . 6 ALA HN . 52013 1
77 . 1 . 1 6 6 ALA CA C 13 52.31 0.00 . 1 . . . . . 6 ALA CA . 52013 1
78 . 1 . 1 6 6 ALA CB C 13 17.06 0.00 . 1 . . . . . 6 ALA CB . 52013 1
79 . 1 . 1 6 6 ALA N N 15 123.0 0.00 . 1 . . . . . 6 ALA N . 52013 1
80 . 1 . 1 7 7 LEU HA H 1 4.37 0.00 . 1 . . . . . 7 LEU HA . 52013 1
81 . 1 . 1 7 7 LEU HB2 H 1 1.51 0.00 . 1 . . . . . 7 LEU HB1 . 52013 1
82 . 1 . 1 7 7 LEU HB3 H 1 1.51 0.00 . 1 . . . . . 7 LEU HB2 . 52013 1
83 . 1 . 1 7 7 LEU HN H 1 7.62 0.00 . 1 . . . . . 7 LEU HN . 52013 1
84 . 1 . 1 7 7 LEU CA C 13 52.72 0.00 . 1 . . . . . 7 LEU CA . 52013 1
85 . 1 . 1 7 7 LEU CB C 13 41.89 0.00 . 1 . . . . . 7 LEU CB . 52013 1
86 . 1 . 1 7 7 LEU N N 15 110.0 0.00 . 1 . . . . . 7 LEU N . 52013 1
87 . 1 . 1 8 8 LEU HA H 1 4.35 0.00 . 1 . . . . . 8 LEU HA . 52013 1
88 . 1 . 1 8 8 LEU HB2 H 1 1.51 0.00 . 1 . . . . . 8 LEU HB1 . 52013 1
89 . 1 . 1 8 8 LEU HB3 H 1 1.66 0.00 . 1 . . . . . 8 LEU HB2 . 52013 1
90 . 1 . 1 8 8 LEU HN H 1 7.76 0.00 . 1 . . . . . 8 LEU HN . 52013 1
91 . 1 . 1 8 8 LEU CA C 13 50.96 0.00 . 1 . . . . . 8 LEU CA . 52013 1
92 . 1 . 1 8 8 LEU CB C 13 40.32 0.00 . 1 . . . . . 8 LEU CB . 52013 1
93 . 1 . 1 8 8 LEU N N 15 113.6 0.00 . 1 . . . . . 8 LEU N . 52013 1
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