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 51880
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Plectasin in complex with Lipid II in DOPC membranes'
_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 PARIS CC' . . . 51880 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
2 $software_2 . . 51880 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 2 2 PHE C C 13 172.968 0.00 . 1 . . . . . 2 PHE C . 51880 1
2 . 1 . 1 2 2 PHE CA C 13 59.485 0.11 . 1 . . . . . 2 PHE CA . 51880 1
3 . 1 . 1 2 2 PHE CB C 13 36.424 0.12 . 1 . . . . . 2 PHE CB . 51880 1
4 . 1 . 1 3 3 GLY C C 13 175.605 0.00 . 1 . . . . . 3 GLY C . 51880 1
5 . 1 . 1 3 3 GLY CA C 13 44.400 0.00 . 1 . . . . . 3 GLY CA . 51880 1
6 . 1 . 1 4 4 CYS C C 13 173.677 0.01 . 1 . . . . . 4 CYS C . 51880 1
7 . 1 . 1 4 4 CYS CA C 13 52.565 0.06 . 1 . . . . . 4 CYS CA . 51880 1
8 . 1 . 1 4 4 CYS CB C 13 33.450 0.13 . 1 . . . . . 4 CYS CB . 51880 1
9 . 1 . 1 5 5 ASN C C 13 173.072 0.22 . 1 . . . . . 5 ASN C . 51880 1
10 . 1 . 1 5 5 ASN CA C 13 51.682 0.06 . 1 . . . . . 5 ASN CA . 51880 1
11 . 1 . 1 5 5 ASN CB C 13 39.577 0.14 . 1 . . . . . 5 ASN CB . 51880 1
12 . 1 . 1 5 5 ASN CG C 13 178.292 0.00 . 1 . . . . . 5 ASN CG . 51880 1
13 . 1 . 1 6 6 GLY C C 13 172.633 0.00 . 1 . . . . . 6 GLY C . 51880 1
14 . 1 . 1 6 6 GLY CA C 13 41.446 0.00 . 1 . . . . . 6 GLY CA . 51880 1
15 . 1 . 1 7 7 PRO C C 13 176.438 0.05 . 1 . . . . . 7 PRO C . 51880 1
16 . 1 . 1 7 7 PRO CA C 13 64.729 0.08 . 1 . . . . . 7 PRO CA . 51880 1
17 . 1 . 1 7 7 PRO CB C 13 31.164 0.13 . 1 . . . . . 7 PRO CB . 51880 1
18 . 1 . 1 7 7 PRO CG C 13 27.692 0.13 . 1 . . . . . 7 PRO CG . 51880 1
19 . 1 . 1 7 7 PRO CD C 13 48.109 0.15 . 1 . . . . . 7 PRO CD . 51880 1
20 . 1 . 1 8 8 TRP C C 13 174.729 0.00 . 1 . . . . . 8 TRP C . 51880 1
21 . 1 . 1 8 8 TRP CA C 13 56.486 0.06 . 1 . . . . . 8 TRP CA . 51880 1
22 . 1 . 1 8 8 TRP CB C 13 28.043 0.02 . 1 . . . . . 8 TRP CB . 51880 1
23 . 1 . 1 8 8 TRP CG C 13 108.148 0.00 . 1 . . . . . 8 TRP CG . 51880 1
24 . 1 . 1 9 9 ASP C C 13 171.523 0.03 . 1 . . . . . 9 ASP C . 51880 1
25 . 1 . 1 9 9 ASP CA C 13 53.985 0.07 . 1 . . . . . 9 ASP CA . 51880 1
26 . 1 . 1 9 9 ASP CB C 13 40.298 0.15 . 1 . . . . . 9 ASP CB . 51880 1
27 . 1 . 1 9 9 ASP CG C 13 181.483 0.00 . 1 . . . . . 9 ASP CG . 51880 1
28 . 1 . 1 10 10 GLU CA C 13 54.996 0.00 . 1 . . . . . 10 GLU CA . 51880 1
29 . 1 . 1 10 10 GLU CB C 13 27.868 0.00 . 1 . . . . . 10 GLU CB . 51880 1
30 . 1 . 1 11 11 ASP C C 13 175.067 0.02 . 1 . . . . . 11 ASP C . 51880 1
31 . 1 . 1 11 11 ASP CA C 13 50.749 0.17 . 1 . . . . . 11 ASP CA . 51880 1
32 . 1 . 1 11 11 ASP CB C 13 39.394 0.03 . 1 . . . . . 11 ASP CB . 51880 1
33 . 1 . 1 11 11 ASP CG C 13 181.870 0.03 . 1 . . . . . 11 ASP CG . 51880 1
34 . 1 . 1 12 12 ASP C C 13 177.774 0.00 . 1 . . . . . 12 ASP C . 51880 1
35 . 1 . 1 12 12 ASP CA C 13 57.751 0.07 . 1 . . . . . 12 ASP CA . 51880 1
36 . 1 . 1 12 12 ASP CB C 13 43.365 0.09 . 1 . . . . . 12 ASP CB . 51880 1
37 . 1 . 1 13 13 MET C C 13 177.785 0.04 . 1 . . . . . 13 MET C . 51880 1
38 . 1 . 1 13 13 MET CA C 13 56.356 0.08 . 1 . . . . . 13 MET CA . 51880 1
39 . 1 . 1 13 13 MET CB C 13 30.249 0.14 . 1 . . . . . 13 MET CB . 51880 1
40 . 1 . 1 13 13 MET CG C 13 32.020 0.16 . 1 . . . . . 13 MET CG . 51880 1
41 . 1 . 1 14 14 GLN C C 13 179.237 0.03 . 1 . . . . . 14 GLN C . 51880 1
42 . 1 . 1 14 14 GLN CA C 13 58.844 0.08 . 1 . . . . . 14 GLN CA . 51880 1
43 . 1 . 1 14 14 GLN CB C 13 28.054 0.10 . 1 . . . . . 14 GLN CB . 51880 1
44 . 1 . 1 14 14 GLN CG C 13 33.785 0.12 . 1 . . . . . 14 GLN CG . 51880 1
45 . 1 . 1 14 14 GLN CD C 13 179.946 0.05 . 1 . . . . . 14 GLN CD . 51880 1
46 . 1 . 1 15 15 CYS C C 13 175.139 0.50 . 1 . . . . . 15 CYS C . 51880 1
47 . 1 . 1 15 15 CYS CA C 13 58.553 0.04 . 1 . . . . . 15 CYS CA . 51880 1
48 . 1 . 1 15 15 CYS CB C 13 36.022 0.55 . 1 . . . . . 15 CYS CB . 51880 1
49 . 1 . 1 16 16 HIS C C 13 177.500 0.01 . 1 . . . . . 16 HIS C . 51880 1
50 . 1 . 1 16 16 HIS CA C 13 60.805 0.06 . 1 . . . . . 16 HIS CA . 51880 1
51 . 1 . 1 16 16 HIS CB C 13 31.728 0.12 . 1 . . . . . 16 HIS CB . 51880 1
52 . 1 . 1 16 16 HIS CG C 13 138.739 0.01 . 1 . . . . . 16 HIS CG . 51880 1
53 . 1 . 1 16 16 HIS CD2 C 13 117.593 0.00 . 1 . . . . . 16 HIS CD2 . 51880 1
54 . 1 . 1 16 16 HIS CE1 C 13 139.874 0.00 . 1 . . . . . 16 HIS CE1 . 51880 1
55 . 1 . 1 17 17 ASN C C 13 175.468 0.02 . 1 . . . . . 17 ASN C . 51880 1
56 . 1 . 1 17 17 ASN CA C 13 55.275 0.09 . 1 . . . . . 17 ASN CA . 51880 1
57 . 1 . 1 17 17 ASN CB C 13 37.628 0.12 . 1 . . . . . 17 ASN CB . 51880 1
58 . 1 . 1 17 17 ASN CG C 13 178.868 0.01 . 1 . . . . . 17 ASN CG . 51880 1
59 . 1 . 1 18 18 HIS C C 13 177.887 0.06 . 1 . . . . . 18 HIS C . 51880 1
60 . 1 . 1 18 18 HIS CA C 13 59.130 0.20 . 1 . . . . . 18 HIS CA . 51880 1
61 . 1 . 1 18 18 HIS CB C 13 29.860 0.24 . 1 . . . . . 18 HIS CB . 51880 1
62 . 1 . 1 18 18 HIS CD2 C 13 116.260 0.00 . 1 . . . . . 18 HIS CD2 . 51880 1
63 . 1 . 1 18 18 HIS CE1 C 13 135.257 0.00 . 1 . . . . . 18 HIS CE1 . 51880 1
64 . 1 . 1 19 19 CYS C C 13 175.448 0.19 . 1 . . . . . 19 CYS C . 51880 1
65 . 1 . 1 19 19 CYS CA C 13 58.678 0.08 . 1 . . . . . 19 CYS CA . 51880 1
66 . 1 . 1 19 19 CYS CB C 13 36.181 0.35 . 1 . . . . . 19 CYS CB . 51880 1
67 . 1 . 1 20 20 LYS C C 13 176.367 0.23 . 1 . . . . . 20 LYS C . 51880 1
68 . 1 . 1 20 20 LYS CA C 13 58.307 0.09 . 1 . . . . . 20 LYS CA . 51880 1
69 . 1 . 1 20 20 LYS CB C 13 31.865 0.27 . 1 . . . . . 20 LYS CB . 51880 1
70 . 1 . 1 20 20 LYS CG C 13 24.157 0.10 . 1 . . . . . 20 LYS CG . 51880 1
71 . 1 . 1 20 20 LYS CD C 13 29.722 0.12 . 1 . . . . . 20 LYS CD . 51880 1
72 . 1 . 1 20 20 LYS CE C 13 42.133 0.16 . 1 . . . . . 20 LYS CE . 51880 1
73 . 1 . 1 21 21 SER C C 13 173.338 0.01 . 1 . . . . . 21 SER C . 51880 1
74 . 1 . 1 21 21 SER CA C 13 59.642 0.08 . 1 . . . . . 21 SER CA . 51880 1
75 . 1 . 1 21 21 SER CB C 13 64.359 0.07 . 1 . . . . . 21 SER CB . 51880 1
76 . 1 . 1 22 22 ILE C C 13 177.515 0.02 . 1 . . . . . 22 ILE C . 51880 1
77 . 1 . 1 22 22 ILE CA C 13 61.048 0.10 . 1 . . . . . 22 ILE CA . 51880 1
78 . 1 . 1 22 22 ILE CB C 13 39.623 0.12 . 1 . . . . . 22 ILE CB . 51880 1
79 . 1 . 1 22 22 ILE CG1 C 13 27.021 0.18 . 1 . . . . . 22 ILE CG1 . 51880 1
80 . 1 . 1 22 22 ILE CG2 C 13 18.040 0.20 . 1 . . . . . 22 ILE CG2 . 51880 1
81 . 1 . 1 22 22 ILE CD1 C 13 14.594 0.19 . 1 . . . . . 22 ILE CD1 . 51880 1
82 . 1 . 1 23 23 LYS C C 13 176.600 0.01 . 1 . . . . . 23 LYS C . 51880 1
83 . 1 . 1 23 23 LYS CA C 13 58.859 0.11 . 1 . . . . . 23 LYS CA . 51880 1
84 . 1 . 1 23 23 LYS CB C 13 32.397 0.13 . 1 . . . . . 23 LYS CB . 51880 1
85 . 1 . 1 23 23 LYS CG C 13 24.724 0.28 . 1 . . . . . 23 LYS CG . 51880 1
86 . 1 . 1 23 23 LYS CD C 13 29.610 0.10 . 1 . . . . . 23 LYS CD . 51880 1
87 . 1 . 1 23 23 LYS CE C 13 42.234 0.05 . 1 . . . . . 23 LYS CE . 51880 1
88 . 1 . 1 24 24 GLY C C 13 173.850 0.53 . 1 . . . . . 24 GLY C . 51880 1
89 . 1 . 1 24 24 GLY CA C 13 44.240 0.00 . 1 . . . . . 24 GLY CA . 51880 1
90 . 1 . 1 25 25 TYR C C 13 174.383 0.04 . 1 . . . . . 25 TYR C . 51880 1
91 . 1 . 1 25 25 TYR CA C 13 58.407 0.24 . 1 . . . . . 25 TYR CA . 51880 1
92 . 1 . 1 25 25 TYR CB C 13 40.668 0.19 . 1 . . . . . 25 TYR CB . 51880 1
93 . 1 . 1 25 25 TYR CG C 13 128.292 0.00 . 1 . . . . . 25 TYR CG . 51880 1
94 . 1 . 1 25 25 TYR CD1 C 13 132.789 0.00 . 1 . . . . . 25 TYR CD1 . 51880 1
95 . 1 . 1 25 25 TYR CD2 C 13 134.051 0.00 . 1 . . . . . 25 TYR CD2 . 51880 1
96 . 1 . 1 25 25 TYR CE1 C 13 116.869 0.00 . 1 . . . . . 25 TYR CE1 . 51880 1
97 . 1 . 1 25 25 TYR CZ C 13 156.946 0.07 . 1 . . . . . 25 TYR CZ . 51880 1
98 . 1 . 1 26 26 LYS C C 13 174.334 0.92 . 1 . . . . . 26 LYS C . 51880 1
99 . 1 . 1 26 26 LYS CA C 13 54.557 0.18 . 1 . . . . . 26 LYS CA . 51880 1
100 . 1 . 1 26 26 LYS CB C 13 35.613 0.19 . 1 . . . . . 26 LYS CB . 51880 1
101 . 1 . 1 26 26 LYS CG C 13 23.670 0.16 . 1 . . . . . 26 LYS CG . 51880 1
102 . 1 . 1 26 26 LYS CD C 13 30.718 0.12 . 1 . . . . . 26 LYS CD . 51880 1
103 . 1 . 1 26 26 LYS CE C 13 43.376 0.13 . 1 . . . . . 26 LYS CE . 51880 1
104 . 1 . 1 27 27 GLY C C 13 170.120 0.00 . 1 . . . . . 27 GLY C . 51880 1
105 . 1 . 1 27 27 GLY CA C 13 46.338 0.00 . 1 . . . . . 27 GLY CA . 51880 1
106 . 1 . 1 28 28 GLY C C 13 171.282 0.00 . 1 . . . . . 28 GLY C . 51880 1
107 . 1 . 1 28 28 GLY CA C 13 47.135 0.00 . 1 . . . . . 28 GLY CA . 51880 1
108 . 1 . 1 29 29 TYR C C 13 173.304 0.01 . 1 . . . . . 29 TYR C . 51880 1
109 . 1 . 1 29 29 TYR CA C 13 56.486 0.08 . 1 . . . . . 29 TYR CA . 51880 1
110 . 1 . 1 29 29 TYR CB C 13 40.103 0.32 . 1 . . . . . 29 TYR CB . 51880 1
111 . 1 . 1 29 29 TYR CG C 13 129.130 0.00 . 1 . . . . . 29 TYR CG . 51880 1
112 . 1 . 1 29 29 TYR CD1 C 13 135.729 0.00 . 1 . . . . . 29 TYR CD1 . 51880 1
113 . 1 . 1 29 29 TYR CD2 C 13 137.121 0.00 . 1 . . . . . 29 TYR CD2 . 51880 1
114 . 1 . 1 29 29 TYR CE1 C 13 116.869 0.00 . 1 . . . . . 29 TYR CE1 . 51880 1
115 . 1 . 1 29 29 TYR CZ C 13 157.079 0.28 . 1 . . . . . 29 TYR CZ . 51880 1
116 . 1 . 1 30 30 CYS C C 13 174.654 0.01 . 1 . . . . . 30 CYS C . 51880 1
117 . 1 . 1 30 30 CYS CA C 13 52.724 0.06 . 1 . . . . . 30 CYS CA . 51880 1
118 . 1 . 1 30 30 CYS CB C 13 36.999 0.14 . 1 . . . . . 30 CYS CB . 51880 1
119 . 1 . 1 31 31 ALA C C 13 177.142 0.00 . 1 . . . . . 31 ALA C . 51880 1
120 . 1 . 1 31 31 ALA CA C 13 50.207 0.07 . 1 . . . . . 31 ALA CA . 51880 1
121 . 1 . 1 31 31 ALA CB C 13 23.563 0.17 . 1 . . . . . 31 ALA CB . 51880 1
122 . 1 . 1 32 32 LYS C C 13 175.507 0.25 . 1 . . . . . 32 LYS C . 51880 1
123 . 1 . 1 32 32 LYS CA C 13 56.430 0.12 . 1 . . . . . 32 LYS CA . 51880 1
124 . 1 . 1 32 32 LYS CB C 13 35.284 0.55 . 1 . . . . . 32 LYS CB . 51880 1
125 . 1 . 1 32 32 LYS CG C 13 25.419 0.03 . 1 . . . . . 32 LYS CG . 51880 1
126 . 1 . 1 32 32 LYS CD C 13 29.990 0.25 . 1 . . . . . 32 LYS CD . 51880 1
127 . 1 . 1 33 33 GLY C C 13 171.755 0.00 . 1 . . . . . 33 GLY C . 51880 1
128 . 1 . 1 33 33 GLY CA C 13 46.372 0.00 . 1 . . . . . 33 GLY CA . 51880 1
129 . 1 . 1 34 34 GLY CA C 13 43.749 0.00 . 1 . . . . . 34 GLY CA . 51880 1
130 . 1 . 1 35 35 PHE C C 13 175.173 0.24 . 1 . . . . . 35 PHE C . 51880 1
131 . 1 . 1 35 35 PHE CA C 13 60.701 0.42 . 1 . . . . . 35 PHE CA . 51880 1
132 . 1 . 1 35 35 PHE CB C 13 41.771 0.07 . 1 . . . . . 35 PHE CB . 51880 1
133 . 1 . 1 36 36 VAL C C 13 175.413 0.00 . 1 . . . . . 36 VAL C . 51880 1
134 . 1 . 1 36 36 VAL CA C 13 60.149 0.07 . 1 . . . . . 36 VAL CA . 51880 1
135 . 1 . 1 36 36 VAL CB C 13 35.797 0.17 . 1 . . . . . 36 VAL CB . 51880 1
136 . 1 . 1 36 36 VAL CG1 C 13 22.024 0.24 . 1 . . . . . 36 VAL CG1 . 51880 1
137 . 1 . 1 36 36 VAL CG2 C 13 20.397 0.15 . 1 . . . . . 36 VAL CG2 . 51880 1
138 . 1 . 1 37 37 CYS C C 13 171.310 0.01 . 1 . . . . . 37 CYS C . 51880 1
139 . 1 . 1 37 37 CYS CA C 13 55.482 0.09 . 1 . . . . . 37 CYS CA . 51880 1
140 . 1 . 1 37 37 CYS CB C 13 35.278 0.14 . 1 . . . . . 37 CYS CB . 51880 1
141 . 1 . 1 38 38 LYS C C 13 173.409 0.01 . 1 . . . . . 38 LYS C . 51880 1
142 . 1 . 1 38 38 LYS CA C 13 54.993 0.08 . 1 . . . . . 38 LYS CA . 51880 1
143 . 1 . 1 38 38 LYS CB C 13 35.679 0.15 . 1 . . . . . 38 LYS CB . 51880 1
144 . 1 . 1 38 38 LYS CG C 13 25.610 0.14 . 1 . . . . . 38 LYS CG . 51880 1
145 . 1 . 1 38 38 LYS CD C 13 29.935 0.17 . 1 . . . . . 38 LYS CD . 51880 1
146 . 1 . 1 38 38 LYS CE C 13 42.810 0.13 . 1 . . . . . 38 LYS CE . 51880 1
147 . 1 . 1 39 39 CYS C C 13 174.803 0.45 . 1 . . . . . 39 CYS C . 51880 1
148 . 1 . 1 39 39 CYS CA C 13 50.494 0.11 . 1 . . . . . 39 CYS CA . 51880 1
149 . 1 . 1 39 39 CYS CB C 13 35.887 0.09 . 1 . . . . . 39 CYS CB . 51880 1
150 . 1 . 1 40 40 TYR C C 13 177.974 0.03 . 1 . . . . . 40 TYR C . 51880 1
151 . 1 . 1 40 40 TYR CA C 13 58.907 0.14 . 1 . . . . . 40 TYR CA . 51880 1
152 . 1 . 1 40 40 TYR CB C 13 40.742 0.10 . 1 . . . . . 40 TYR CB . 51880 1
153 . 1 . 1 40 40 TYR CD1 C 13 132.789 0.00 . 1 . . . . . 40 TYR CD1 . 51880 1
154 . 1 . 1 40 40 TYR CD2 C 13 134.051 0.00 . 1 . . . . . 40 TYR CD2 . 51880 1
155 . 1 . 1 40 40 TYR CZ C 13 159.277 0.01 . 1 . . . . . 40 TYR CZ . 51880 1
stop_
save_