Content for NMR-STAR saveframe, "assigned_chemical_shifts_5"
save_assigned_chemical_shifts_5
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5
_Assigned_chem_shift_list.Entry_ID 51880
_Assigned_chem_shift_list.ID 5
_Assigned_chem_shift_list.Name 'Plectasin in complex with Lipid II in DOPC membranes with calcium'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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
3 '2D (H)NH' . . . 51880 5
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
2 $software_2 . . 51880 5
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 2 2 PHE H H 1 7.739 0.00 . 1 . . . . . 2 PHE H . 51880 5
2 . 1 . 1 2 2 PHE N N 15 122.695 0.00 . 1 . . . . . 2 PHE N . 51880 5
3 . 1 . 1 3 3 GLY H H 1 8.396 0.00 . 1 . . . . . 3 GLY H . 51880 5
4 . 1 . 1 3 3 GLY N N 15 101.561 0.00 . 1 . . . . . 3 GLY N . 51880 5
5 . 1 . 1 4 4 CYS H H 1 8.115 0.00 . 1 . . . . . 4 CYS H . 51880 5
6 . 1 . 1 4 4 CYS N N 15 124.162 0.00 . 1 . . . . . 4 CYS N . 51880 5
7 . 1 . 1 5 5 ASN H H 1 8.083 0.00 . 1 . . . . . 5 ASN H . 51880 5
8 . 1 . 1 5 5 ASN N N 15 123.759 0.00 . 1 . . . . . 5 ASN N . 51880 5
9 . 1 . 1 6 6 GLY H H 1 6.990 0.00 . 1 . . . . . 6 GLY H . 51880 5
10 . 1 . 1 6 6 GLY N N 15 107.069 0.00 . 1 . . . . . 6 GLY N . 51880 5
11 . 1 . 1 8 8 TRP H H 1 6.236 0.00 . 1 . . . . . 8 TRP H . 51880 5
12 . 1 . 1 8 8 TRP HE1 H 1 10.935 0.00 . 1 . . . . . 8 TRP HE1 . 51880 5
13 . 1 . 1 8 8 TRP N N 15 112.470 0.00 . 1 . . . . . 8 TRP N . 51880 5
14 . 1 . 1 8 8 TRP NE1 N 15 135.5 0.00 . 1 . . . . . 8 TRP NE1 . 51880 5
15 . 1 . 1 9 9 ASP H H 1 7.599 0.00 . 1 . . . . . 9 ASP H . 51880 5
16 . 1 . 1 9 9 ASP N N 15 124.768 0.00 . 1 . . . . . 9 ASP N . 51880 5
17 . 1 . 1 10 10 GLU H H 1 8.573 0.00 . 1 . . . . . 10 GLU H . 51880 5
18 . 1 . 1 10 10 GLU N N 15 124.340 0.00 . 1 . . . . . 10 GLU N . 51880 5
19 . 1 . 1 11 11 ASP H H 1 8.448 0.00 . 1 . . . . . 11 ASP H . 51880 5
20 . 1 . 1 11 11 ASP N N 15 128.267 0.00 . 1 . . . . . 11 ASP N . 51880 5
21 . 1 . 1 12 12 ASP H H 1 7.149 0.00 . 1 . . . . . 12 ASP H . 51880 5
22 . 1 . 1 12 12 ASP N N 15 119.563 0.00 . 1 . . . . . 12 ASP N . 51880 5
23 . 1 . 1 13 13 MET H H 1 8.458 0.00 . 1 . . . . . 13 MET H . 51880 5
24 . 1 . 1 13 13 MET N N 15 117.461 0.00 . 1 . . . . . 13 MET N . 51880 5
25 . 1 . 1 14 14 GLN H H 1 7.805 0.00 . 1 . . . . . 14 GLN H . 51880 5
26 . 1 . 1 14 14 GLN N N 15 123.264 0.00 . 1 . . . . . 14 GLN N . 51880 5
27 . 1 . 1 15 15 CYS H H 1 7.291 0.00 . 1 . . . . . 15 CYS H . 51880 5
28 . 1 . 1 15 15 CYS N N 15 121.742 0.00 . 1 . . . . . 15 CYS N . 51880 5
29 . 1 . 1 16 16 HIS H H 1 9.562 0.00 . 1 . . . . . 16 HIS H . 51880 5
30 . 1 . 1 16 16 HIS HE2 H 1 12.173 0.00 . 1 . . . . . 16 HIS HE2 . 51880 5
31 . 1 . 1 16 16 HIS N N 15 123.303 0.00 . 1 . . . . . 16 HIS N . 51880 5
32 . 1 . 1 16 16 HIS NE2 N 15 164.254 0.00 . 1 . . . . . 16 HIS NE2 . 51880 5
33 . 1 . 1 17 17 ASN H H 1 8.876 0.00 . 1 . . . . . 17 ASN H . 51880 5
34 . 1 . 1 17 17 ASN N N 15 116.343 0.00 . 1 . . . . . 17 ASN N . 51880 5
35 . 1 . 1 18 18 HIS H H 1 8.072 0.00 . 1 . . . . . 18 HIS H . 51880 5
36 . 1 . 1 18 18 HIS HE2 H 1 10.661 0.00 . 1 . . . . . 18 HIS HE2 . 51880 5
37 . 1 . 1 18 18 HIS N N 15 123.168 0.00 . 1 . . . . . 18 HIS N . 51880 5
38 . 1 . 1 18 18 HIS NE2 N 15 167.864 0.00 . 1 . . . . . 18 HIS NE2 . 51880 5
39 . 1 . 1 19 19 CYS H H 1 8.961 0.00 . 1 . . . . . 19 CYS H . 51880 5
40 . 1 . 1 19 19 CYS N N 15 122.190 0.00 . 1 . . . . . 19 CYS N . 51880 5
41 . 1 . 1 20 20 LYS H H 1 8.323 0.00 . 1 . . . . . 20 LYS H . 51880 5
42 . 1 . 1 20 20 LYS N N 15 115.194 0.00 . 1 . . . . . 20 LYS N . 51880 5
43 . 1 . 1 21 21 SER H H 1 7.636 0.00 . 1 . . . . . 21 SER H . 51880 5
44 . 1 . 1 21 21 SER N N 15 117.510 0.00 . 1 . . . . . 21 SER N . 51880 5
45 . 1 . 1 22 22 ILE H H 1 7.919 0.00 . 1 . . . . . 22 ILE H . 51880 5
46 . 1 . 1 22 22 ILE N N 15 128.523 0.00 . 1 . . . . . 22 ILE N . 51880 5
47 . 1 . 1 23 23 LYS H H 1 8.842 0.00 . 1 . . . . . 23 LYS H . 51880 5
48 . 1 . 1 23 23 LYS N N 15 131.112 0.00 . 1 . . . . . 23 LYS N . 51880 5
49 . 1 . 1 24 24 GLY H H 1 8.934 0.00 . 1 . . . . . 24 GLY H . 51880 5
50 . 1 . 1 24 24 GLY N N 15 116.327 0.00 . 1 . . . . . 24 GLY N . 51880 5
51 . 1 . 1 25 25 TYR H H 1 8.452 0.00 . 1 . . . . . 25 TYR H . 51880 5
52 . 1 . 1 25 25 TYR N N 15 121.419 0.00 . 1 . . . . . 25 TYR N . 51880 5
53 . 1 . 1 26 26 LYS H H 1 11.178 0.00 . 1 . . . . . 26 LYS H . 51880 5
54 . 1 . 1 26 26 LYS N N 15 120.452 0.00 . 1 . . . . . 26 LYS N . 51880 5
55 . 1 . 1 27 27 GLY H H 1 7.695 0.00 . 1 . . . . . 27 GLY H . 51880 5
56 . 1 . 1 27 27 GLY N N 15 109.982 0.00 . 1 . . . . . 27 GLY N . 51880 5
57 . 1 . 1 28 28 GLY H H 1 9.890 0.00 . 1 . . . . . 28 GLY H . 51880 5
58 . 1 . 1 28 28 GLY N N 15 109.682 0.00 . 1 . . . . . 28 GLY N . 51880 5
59 . 1 . 1 29 29 TYR H H 1 8.557 0.00 . 1 . . . . . 29 TYR H . 51880 5
60 . 1 . 1 29 29 TYR N N 15 112.879 0.00 . 1 . . . . . 29 TYR N . 51880 5
61 . 1 . 1 30 30 CYS H H 1 9.336 0.00 . 1 . . . . . 30 CYS H . 51880 5
62 . 1 . 1 30 30 CYS N N 15 117.172 0.00 . 1 . . . . . 30 CYS N . 51880 5
63 . 1 . 1 32 32 LYS H H 1 9.523 0.00 . 1 . . . . . 32 LYS H . 51880 5
64 . 1 . 1 32 32 LYS N N 15 119.423 0.00 . 1 . . . . . 32 LYS N . 51880 5
65 . 1 . 1 33 33 GLY H H 1 8.909 0.00 . 1 . . . . . 33 GLY H . 51880 5
66 . 1 . 1 33 33 GLY N N 15 106.664 0.00 . 1 . . . . . 33 GLY N . 51880 5
67 . 1 . 1 34 34 GLY H H 1 7.220 0.00 . 1 . . . . . 34 GLY H . 51880 5
68 . 1 . 1 34 34 GLY N N 15 101.658 0.00 . 1 . . . . . 34 GLY N . 51880 5
69 . 1 . 1 35 35 PHE H H 1 7.370 0.00 . 1 . . . . . 35 PHE H . 51880 5
70 . 1 . 1 35 35 PHE N N 15 119.073 0.00 . 1 . . . . . 35 PHE N . 51880 5
71 . 1 . 1 36 36 VAL H H 1 7.998 0.00 . 1 . . . . . 36 VAL H . 51880 5
72 . 1 . 1 36 36 VAL N N 15 117.871 0.00 . 1 . . . . . 36 VAL N . 51880 5
73 . 1 . 1 37 37 CYS H H 1 10.255 0.00 . 1 . . . . . 37 CYS H . 51880 5
74 . 1 . 1 37 37 CYS N N 15 130.469 0.00 . 1 . . . . . 37 CYS N . 51880 5
75 . 1 . 1 38 38 LYS H H 1 8.883 0.00 . 1 . . . . . 38 LYS H . 51880 5
76 . 1 . 1 38 38 LYS N N 15 136.267 0.00 . 1 . . . . . 38 LYS N . 51880 5
77 . 1 . 1 39 39 CYS H H 1 7.780 0.00 . 1 . . . . . 39 CYS H . 51880 5
78 . 1 . 1 39 39 CYS N N 15 122.879 0.00 . 1 . . . . . 39 CYS N . 51880 5
79 . 1 . 1 40 40 TYR H H 1 9.018 0.00 . 1 . . . . . 40 TYR H . 51880 5
80 . 1 . 1 40 40 TYR N N 15 128.695 0.00 . 1 . . . . . 40 TYR N . 51880 5
stop_
save_