Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 51703
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'melittin monomer'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_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
3 '3D HNCA' . . . 51703 2
4 '3D HNCO' . . . 51703 2
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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 2
2 $software_2 . . 51703 2
3 $software_3 . . 51703 2
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 GLY C C 13 170.51 0.050 . 1 . . . . . 1 GLY C . 51703 2
2 . 1 . 1 1 1 GLY CA C 13 43.23 0.050 . 1 . . . . . 1 GLY CA . 51703 2
3 . 1 . 1 2 2 ILE H H 1 8.523 0.005 . 1 . . . . . 2 ILE H . 51703 2
4 . 1 . 1 2 2 ILE C C 13 176.83 0.050 . 1 . . . . . 2 ILE C . 51703 2
5 . 1 . 1 2 2 ILE CA C 13 61.50 0.050 . 1 . . . . . 2 ILE CA . 51703 2
6 . 1 . 1 2 2 ILE N N 15 119.81 0.050 . 1 . . . . . 2 ILE N . 51703 2
7 . 1 . 1 3 3 GLY H H 1 8.578 0.005 . 1 . . . . . 3 GLY H . 51703 2
8 . 1 . 1 3 3 GLY C C 13 173.60 0.050 . 1 . . . . . 3 GLY C . 51703 2
9 . 1 . 1 3 3 GLY CA C 13 45.02 0.050 . 1 . . . . . 3 GLY CA . 51703 2
10 . 1 . 1 3 3 GLY N N 15 112.75 0.050 . 1 . . . . . 3 GLY N . 51703 2
11 . 1 . 1 4 4 ALA H H 1 8.188 0.005 . 1 . . . . . 4 ALA H . 51703 2
12 . 1 . 1 4 4 ALA C C 13 177.73 0.050 . 1 . . . . . 4 ALA C . 51703 2
13 . 1 . 1 4 4 ALA CA C 13 52.34 0.050 . 1 . . . . . 4 ALA CA . 51703 2
14 . 1 . 1 4 4 ALA N N 15 124.36 0.050 . 1 . . . . . 4 ALA N . 51703 2
15 . 1 . 1 5 5 VAL H H 1 8.219 0.005 . 1 . . . . . 5 VAL H . 51703 2
16 . 1 . 1 5 5 VAL C C 13 176.11 0.050 . 1 . . . . . 5 VAL C . 51703 2
17 . 1 . 1 5 5 VAL CA C 13 62.29 0.050 . 1 . . . . . 5 VAL CA . 51703 2
18 . 1 . 1 5 5 VAL N N 15 120.67 0.050 . 1 . . . . . 5 VAL N . 51703 2
19 . 1 . 1 6 6 LEU H H 1 8.380 0.005 . 1 . . . . . 6 LEU H . 51703 2
20 . 1 . 1 6 6 LEU C C 13 176.98 0.050 . 1 . . . . . 6 LEU C . 51703 2
21 . 1 . 1 6 6 LEU CA C 13 55.03 0.050 . 1 . . . . . 6 LEU CA . 51703 2
22 . 1 . 1 6 6 LEU N N 15 126.99 0.050 . 1 . . . . . 6 LEU N . 51703 2
23 . 1 . 1 7 7 LYS H H 1 8.378 0.005 . 1 . . . . . 7 LYS H . 51703 2
24 . 1 . 1 7 7 LYS C C 13 176.16 0.050 . 1 . . . . . 7 LYS C . 51703 2
25 . 1 . 1 7 7 LYS CA C 13 56.14 0.050 . 1 . . . . . 7 LYS CA . 51703 2
26 . 1 . 1 7 7 LYS N N 15 123.87 0.050 . 1 . . . . . 7 LYS N . 51703 2
27 . 1 . 1 8 8 VAL H H 1 8.236 0.005 . 1 . . . . . 8 VAL H . 51703 2
28 . 1 . 1 8 8 VAL C C 13 175.95 0.050 . 1 . . . . . 8 VAL C . 51703 2
29 . 1 . 1 8 8 VAL CA C 13 62.23 0.050 . 1 . . . . . 8 VAL CA . 51703 2
30 . 1 . 1 8 8 VAL N N 15 123.00 0.050 . 1 . . . . . 8 VAL N . 51703 2
31 . 1 . 1 9 9 LEU H H 1 8.486 0.005 . 1 . . . . . 9 LEU H . 51703 2
32 . 1 . 1 9 9 LEU C C 13 177.56 0.050 . 1 . . . . . 9 LEU C . 51703 2
33 . 1 . 1 9 9 LEU CA C 13 55.05 0.050 . 1 . . . . . 9 LEU CA . 51703 2
34 . 1 . 1 9 9 LEU N N 15 126.82 0.050 . 1 . . . . . 9 LEU N . 51703 2
35 . 1 . 1 10 10 THR H H 1 8.285 0.005 . 1 . . . . . 10 THR H . 51703 2
36 . 1 . 1 10 10 THR C C 13 174.60 0.050 . 1 . . . . . 10 THR C . 51703 2
37 . 1 . 1 10 10 THR CA C 13 61.78 0.050 . 1 . . . . . 10 THR CA . 51703 2
38 . 1 . 1 10 10 THR N N 15 115.72 0.050 . 1 . . . . . 10 THR N . 51703 2
39 . 1 . 1 11 11 THR H H 1 8.117 0.005 . 1 . . . . . 11 THR H . 51703 2
40 . 1 . 1 11 11 THR C C 13 174.89 0.050 . 1 . . . . . 11 THR C . 51703 2
41 . 1 . 1 11 11 THR CA C 13 61.77 0.050 . 1 . . . . . 11 THR CA . 51703 2
42 . 1 . 1 11 11 THR N N 15 115.71 0.050 . 1 . . . . . 11 THR N . 51703 2
43 . 1 . 1 12 12 GLY H H 1 8.409 0.005 . 1 . . . . . 12 GLY H . 51703 2
44 . 1 . 1 12 12 GLY C C 13 173.67 0.050 . 1 . . . . . 12 GLY C . 51703 2
45 . 1 . 1 12 12 GLY CA C 13 45.06 0.050 . 1 . . . . . 12 GLY CA . 51703 2
46 . 1 . 1 12 12 GLY N N 15 110.82 0.050 . 1 . . . . . 12 GLY N . 51703 2
47 . 1 . 1 13 13 LEU H H 1 8.161 0.005 . 1 . . . . . 13 LEU H . 51703 2
48 . 1 . 1 13 13 LEU CA C 13 53.57 0.050 . 1 . . . . . 13 LEU CA . 51703 2
49 . 1 . 1 13 13 LEU N N 15 123.14 0.050 . 1 . . . . . 13 LEU N . 51703 2
50 . 1 . 1 14 14 PRO C C 13 176.86 0.050 . 1 . . . . . 14 PRO C . 51703 2
51 . 1 . 1 14 14 PRO CA C 13 63.32 0.050 . 1 . . . . . 14 PRO CA . 51703 2
52 . 1 . 1 15 15 ALA H H 1 8.328 0.005 . 1 . . . . . 15 ALA H . 51703 2
53 . 1 . 1 15 15 ALA C C 13 177.93 0.050 . 1 . . . . . 15 ALA C . 51703 2
54 . 1 . 1 15 15 ALA CA C 13 52.61 0.050 . 1 . . . . . 15 ALA CA . 51703 2
55 . 1 . 1 15 15 ALA N N 15 123.76 0.050 . 1 . . . . . 15 ALA N . 51703 2
56 . 1 . 1 16 16 LEU H H 1 8.169 0.005 . 1 . . . . . 16 LEU H . 51703 2
57 . 1 . 1 16 16 LEU C C 13 177.49 0.050 . 1 . . . . . 16 LEU C . 51703 2
58 . 1 . 1 16 16 LEU CA C 13 55.44 0.050 . 1 . . . . . 16 LEU CA . 51703 2
59 . 1 . 1 16 16 LEU N N 15 121.74 0.050 . 1 . . . . . 16 LEU N . 51703 2
60 . 1 . 1 17 17 ILE H H 1 8.139 0.005 . 1 . . . . . 17 ILE H . 51703 2
61 . 1 . 1 17 17 ILE C C 13 176.54 0.050 . 1 . . . . . 17 ILE C . 51703 2
62 . 1 . 1 17 17 ILE CA C 13 61.37 0.050 . 1 . . . . . 17 ILE CA . 51703 2
63 . 1 . 1 17 17 ILE N N 15 122.04 0.050 . 1 . . . . . 17 ILE N . 51703 2
64 . 1 . 1 18 18 SER H H 1 8.275 0.005 . 1 . . . . . 18 SER H . 51703 2
65 . 1 . 1 18 18 SER C C 13 174.61 0.050 . 1 . . . . . 18 SER C . 51703 2
66 . 1 . 1 18 18 SER CA C 13 58.67 0.005 . 1 . . . . . 18 SER CA . 51703 2
67 . 1 . 1 18 18 SER N N 15 119.15 0.050 . 1 . . . . . 18 SER N . 51703 2
68 . 1 . 1 19 19 TRP H H 1 8.148 0.005 . 1 . . . . . 19 TRP H . 51703 2
69 . 1 . 1 19 19 TRP C C 13 176.53 0.050 . 1 . . . . . 19 TRP C . 51703 2
70 . 1 . 1 19 19 TRP CA C 13 58.22 0.050 . 1 . . . . . 19 TRP CA . 51703 2
71 . 1 . 1 19 19 TRP N N 15 123.51 0.050 . 1 . . . . . 19 TRP N . 51703 2
72 . 1 . 1 20 20 ILE H H 1 7.892 0.005 . 1 . . . . . 20 ILE H . 51703 2
73 . 1 . 1 20 20 ILE C C 13 176.32 0.050 . 1 . . . . . 20 ILE C . 51703 2
74 . 1 . 1 20 20 ILE CA C 13 61.87 0.050 . 1 . . . . . 20 ILE CA . 51703 2
75 . 1 . 1 20 20 ILE N N 15 121.96 0.050 . 1 . . . . . 20 ILE N . 51703 2
76 . 1 . 1 21 21 LYS H H 1 8.061 0.005 . 1 . . . . . 21 LYS H . 51703 2
77 . 1 . 1 21 21 LYS C C 13 176.82 0.050 . 1 . . . . . 21 LYS C . 51703 2
78 . 1 . 1 21 21 LYS CA C 13 56.91 0.050 . 1 . . . . . 21 LYS CA . 51703 2
79 . 1 . 1 21 21 LYS N N 15 123.98 0.050 . 1 . . . . . 21 LYS N . 51703 2
80 . 1 . 1 22 22 ARG H H 1 8.121 0.005 . 1 . . . . . 22 ARG H . 51703 2
81 . 1 . 1 22 22 ARG C C 13 176.51 0.050 . 1 . . . . . 22 ARG C . 51703 2
82 . 1 . 1 22 22 ARG CA C 13 56.51 0.050 . 1 . . . . . 22 ARG CA . 51703 2
83 . 1 . 1 22 22 ARG N N 15 123.98 0.050 . 1 . . . . . 22 ARG N . 51703 2
84 . 1 . 1 23 23 LYS H H 1 8.271 0.005 . 1 . . . . . 23 LYS H . 51703 2
85 . 1 . 1 23 23 LYS C C 13 176.89 0.050 . 1 . . . . . 23 LYS C . 51703 2
86 . 1 . 1 23 23 LYS CA C 13 56.65 0.050 . 1 . . . . . 23 LYS CA . 51703 2
87 . 1 . 1 23 23 LYS N N 15 122.59 0.050 . 1 . . . . . 23 LYS N . 51703 2
88 . 1 . 1 24 24 ARG H H 1 8.330 0.005 . 1 . . . . . 24 ARG H . 51703 2
89 . 1 . 1 24 24 ARG C C 13 176.49 0.050 . 1 . . . . . 24 ARG C . 51703 2
90 . 1 . 1 24 24 ARG CA C 13 56.45 0.050 . 1 . . . . . 24 ARG CA . 51703 2
91 . 1 . 1 24 24 ARG N N 15 122.38 0.050 . 1 . . . . . 24 ARG N . 51703 2
92 . 1 . 1 25 25 GLN H H 1 8.416 0.005 . 1 . . . . . 25 GLN H . 51703 2
93 . 1 . 1 25 25 GLN C C 13 175.92 0.050 . 1 . . . . . 25 GLN C . 51703 2
94 . 1 . 1 25 25 GLN CA C 13 56.00 0.050 . 1 . . . . . 25 GLN CA . 51703 2
95 . 1 . 1 25 25 GLN N N 15 121.77 0.050 . 1 . . . . . 25 GLN N . 51703 2
96 . 1 . 1 26 26 GLN H H 1 8.416 0.005 . 1 . . . . . 26 GLN H . 51703 2
97 . 1 . 1 26 26 GLN CA C 13 55.85 0.050 . 1 . . . . . 26 GLN CA . 51703 2
98 . 1 . 1 26 26 GLN N N 15 122.19 0.050 . 1 . . . . . 26 GLN N . 51703 2
stop_
save_