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 51703
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'melittin tetramer'
_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 0.005
_Assigned_chem_shift_list.Chem_shift_13C_err 0.050
_Assigned_chem_shift_list.Chem_shift_15N_err 0.050
_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 '3D HNCA' . . . 51703 1
2 '3D HNCO' . . . 51703 1
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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 . . 51703 1
2 $software_2 . . 51703 1
3 $software_3 . . 51703 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 4 4 ALA C C 13 180.73 0.050 . 1 . . . . . 4 ALA C . 51703 1
2 . 1 . 1 4 4 ALA CA C 13 54.45 0.050 . 1 . . . . . 4 ALA CA . 51703 1
3 . 1 . 1 5 5 VAL H H 1 7.613 0.005 . 1 . . . . . 5 VAL H . 51703 1
4 . 1 . 1 5 5 VAL C C 13 177.72 0.050 . 1 . . . . . 5 VAL C . 51703 1
5 . 1 . 1 5 5 VAL CA C 13 65.03 0.050 . 1 . . . . . 5 VAL CA . 51703 1
6 . 1 . 1 5 5 VAL N N 15 118.96 0.050 . 1 . . . . . 5 VAL N . 51703 1
7 . 1 . 1 6 6 LEU H H 1 8.327 0.005 . 1 . . . . . 6 LEU H . 51703 1
8 . 1 . 1 6 6 LEU C C 13 179.55 0.050 . 1 . . . . . 6 LEU C . 51703 1
9 . 1 . 1 6 6 LEU CA C 13 57.52 0.050 . 1 . . . . . 6 LEU CA . 51703 1
10 . 1 . 1 6 6 LEU N N 15 119.19 0.050 . 1 . . . . . 6 LEU N . 51703 1
11 . 1 . 1 7 7 LYS H H 1 7.811 0.005 . 1 . . . . . 7 LYS H . 51703 1
12 . 1 . 1 7 7 LYS C C 13 179.25 0.050 . 1 . . . . . 7 LYS C . 51703 1
13 . 1 . 1 7 7 LYS CA C 13 58.22 0.050 . 1 . . . . . 7 LYS CA . 51703 1
14 . 1 . 1 7 7 LYS N N 15 119.44 0.050 . 1 . . . . . 7 LYS N . 51703 1
15 . 1 . 1 8 8 VAL H H 1 7.610 0.005 . 1 . . . . . 8 VAL H . 51703 1
16 . 1 . 1 8 8 VAL C C 13 178.45 0.050 . 1 . . . . . 8 VAL C . 51703 1
17 . 1 . 1 8 8 VAL CA C 13 65.69 0.050 . 1 . . . . . 8 VAL CA . 51703 1
18 . 1 . 1 8 8 VAL N N 15 119.19 0.050 . 1 . . . . . 8 VAL N . 51703 1
19 . 1 . 1 9 9 LEU H H 1 8.131 0.005 . 1 . . . . . 9 LEU H . 51703 1
20 . 1 . 1 9 9 LEU C C 13 177.46 0.050 . 1 . . . . . 9 LEU C . 51703 1
21 . 1 . 1 9 9 LEU CA C 13 57.23 0.050 . 1 . . . . . 9 LEU CA . 51703 1
22 . 1 . 1 9 9 LEU N N 15 118.03 0.050 . 1 . . . . . 9 LEU N . 51703 1
23 . 1 . 1 10 10 THR H H 1 8.184 0.005 . 1 . . . . . 10 THR H . 51703 1
24 . 1 . 1 10 10 THR C C 13 176.69 0.050 . 1 . . . . . 10 THR C . 51703 1
25 . 1 . 1 10 10 THR CA C 13 64.86 0.050 . 1 . . . . . 10 THR CA . 51703 1
26 . 1 . 1 10 10 THR N N 15 109.66 0.050 . 1 . . . . . 10 THR N . 51703 1
27 . 1 . 1 11 11 THR H H 1 7.950 0.005 . 1 . . . . . 11 THR H . 51703 1
28 . 1 . 1 11 11 THR C C 13 176.57 0.050 . 1 . . . . . 11 THR C . 51703 1
29 . 1 . 1 11 11 THR CA C 13 63.56 0.050 . 1 . . . . . 11 THR CA . 51703 1
30 . 1 . 1 11 11 THR N N 15 112.69 0.050 . 1 . . . . . 11 THR N . 51703 1
31 . 1 . 1 12 12 GLY H H 1 8.343 0.005 . 1 . . . . . 12 GLY H . 51703 1
32 . 1 . 1 12 12 GLY C C 13 174.41 0.050 . 1 . . . . . 12 GLY C . 51703 1
33 . 1 . 1 12 12 GLY CA C 13 46.09 0.050 . 1 . . . . . 12 GLY CA . 51703 1
34 . 1 . 1 12 12 GLY N N 15 110.68 0.050 . 1 . . . . . 12 GLY N . 51703 1
35 . 1 . 1 13 13 LEU H H 1 8.188 0.005 . 1 . . . . . 13 LEU H . 51703 1
36 . 1 . 1 13 13 LEU CA C 13 58.89 0.050 . 1 . . . . . 13 LEU CA . 51703 1
37 . 1 . 1 13 13 LEU N N 15 121.22 0.050 . 1 . . . . . 13 LEU N . 51703 1
38 . 1 . 1 14 14 PRO C C 13 179.35 0.050 . 1 . . . . . 14 PRO C . 51703 1
39 . 1 . 1 14 14 PRO CA C 13 66.02 0.050 . 1 . . . . . 14 PRO CA . 51703 1
40 . 1 . 1 15 15 ALA H H 1 7.389 0.005 . 1 . . . . . 15 ALA H . 51703 1
41 . 1 . 1 15 15 ALA C C 13 180.68 0.050 . 1 . . . . . 15 ALA C . 51703 1
42 . 1 . 1 15 15 ALA CA C 13 54.40 0.050 . 1 . . . . . 15 ALA CA . 51703 1
43 . 1 . 1 15 15 ALA N N 15 119.06 0.050 . 1 . . . . . 15 ALA N . 51703 1
44 . 1 . 1 16 16 LEU H H 1 8.087 0.005 . 1 . . . . . 16 LEU H . 51703 1
45 . 1 . 1 16 16 LEU C C 13 178.06 0.050 . 1 . . . . . 16 LEU C . 51703 1
46 . 1 . 1 16 16 LEU CA C 13 57.75 0.050 . 1 . . . . . 16 LEU CA . 51703 1
47 . 1 . 1 16 16 LEU N N 15 121.12 0.050 . 1 . . . . . 16 LEU N . 51703 1
48 . 1 . 1 17 17 ILE H H 1 8.522 0.005 . 1 . . . . . 17 ILE H . 51703 1
49 . 1 . 1 17 17 ILE C C 13 178.09 0.050 . 1 . . . . . 17 ILE C . 51703 1
50 . 1 . 1 17 17 ILE CA C 13 64.97 0.050 . 1 . . . . . 17 ILE CA . 51703 1
51 . 1 . 1 17 17 ILE N N 15 118.88 0.050 . 1 . . . . . 17 ILE N . 51703 1
52 . 1 . 1 18 18 SER H H 1 8.213 0.005 . 1 . . . . . 18 SER H . 51703 1
53 . 1 . 1 18 18 SER C C 13 176.53 0.050 . 1 . . . . . 18 SER C . 51703 1
54 . 1 . 1 18 18 SER CA C 13 61.36 0.005 . 1 . . . . . 18 SER CA . 51703 1
55 . 1 . 1 18 18 SER N N 15 113.70 0.050 . 1 . . . . . 18 SER N . 51703 1
56 . 1 . 1 19 19 TRP H H 1 8.114 0.005 . 1 . . . . . 19 TRP H . 51703 1
57 . 1 . 1 19 19 TRP C C 13 178.34 0.050 . 1 . . . . . 19 TRP C . 51703 1
58 . 1 . 1 19 19 TRP CA C 13 62.14 0.050 . 1 . . . . . 19 TRP CA . 51703 1
59 . 1 . 1 19 19 TRP N N 15 123.30 0.050 . 1 . . . . . 19 TRP N . 51703 1
60 . 1 . 1 20 20 ILE H H 1 8.636 0.005 . 1 . . . . . 20 ILE H . 51703 1
61 . 1 . 1 20 20 ILE C C 13 177.73 0.050 . 1 . . . . . 20 ILE C . 51703 1
62 . 1 . 1 20 20 ILE CA C 13 65.51 0.050 . 1 . . . . . 20 ILE CA . 51703 1
63 . 1 . 1 20 20 ILE N N 15 118.42 0.050 . 1 . . . . . 20 ILE N . 51703 1
64 . 1 . 1 21 21 LYS H H 1 8.312 0.005 . 1 . . . . . 21 LYS H . 51703 1
65 . 1 . 1 21 21 LYS C C 13 179.35 0.050 . 1 . . . . . 21 LYS C . 51703 1
66 . 1 . 1 21 21 LYS CA C 13 59.66 0.050 . 1 . . . . . 21 LYS CA . 51703 1
67 . 1 . 1 21 21 LYS N N 15 117.64 0.050 . 1 . . . . . 21 LYS N . 51703 1
68 . 1 . 1 22 22 ARG H H 1 7.844 0.005 . 1 . . . . . 22 ARG H . 51703 1
69 . 1 . 1 22 22 ARG C C 13 178.74 0.050 . 1 . . . . . 22 ARG C . 51703 1
70 . 1 . 1 22 22 ARG CA C 13 58.33 0.050 . 1 . . . . . 22 ARG CA . 51703 1
71 . 1 . 1 22 22 ARG N N 15 118.34 0.050 . 1 . . . . . 22 ARG N . 51703 1
72 . 1 . 1 23 23 LYS H H 1 8.017 0.005 . 1 . . . . . 23 LYS H . 51703 1
73 . 1 . 1 23 23 LYS C C 13 179.12 0.050 . 1 . . . . . 23 LYS C . 51703 1
74 . 1 . 1 23 23 LYS CA C 13 56.06 0.050 . 1 . . . . . 23 LYS CA . 51703 1
75 . 1 . 1 23 23 LYS N N 15 119.02 0.050 . 1 . . . . . 23 LYS N . 51703 1
76 . 1 . 1 24 24 ARG H H 1 8.374 0.005 . 1 . . . . . 24 ARG H . 51703 1
77 . 1 . 1 24 24 ARG C C 13 177.47 0.050 . 1 . . . . . 24 ARG C . 51703 1
78 . 1 . 1 24 24 ARG CA C 13 57.63 0.050 . 1 . . . . . 24 ARG CA . 51703 1
79 . 1 . 1 24 24 ARG N N 15 119.32 0.050 . 1 . . . . . 24 ARG N . 51703 1
80 . 1 . 1 25 25 GLN H H 1 7.829 0.005 . 1 . . . . . 25 GLN H . 51703 1
81 . 1 . 1 25 25 GLN C C 13 176.51 0.050 . 1 . . . . . 25 GLN C . 51703 1
82 . 1 . 1 25 25 GLN CA C 13 56.39 0.050 . 1 . . . . . 25 GLN CA . 51703 1
83 . 1 . 1 25 25 GLN N N 15 119.02 0.050 . 1 . . . . . 25 GLN N . 51703 1
84 . 1 . 1 26 26 GLN H H 1 7.991 0.005 . 1 . . . . . 26 GLN H . 51703 1
85 . 1 . 1 26 26 GLN CA C 13 55.70 0.050 . 1 . . . . . 26 GLN CA . 51703 1
86 . 1 . 1 26 26 GLN N N 15 119.88 0.050 . 1 . . . . . 26 GLN N . 51703 1
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save_