Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1516
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 unknown 1 $sample_one . 1516 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 7 7 TRP H H 1 8.33 . . 1 . . . . . . . . 1516 1
2 . 1 1 7 7 TRP HA H 1 4.45 . . 1 . . . . . . . . 1516 1
3 . 1 1 7 7 TRP HB2 H 1 3.19 . . 2 . . . . . . . . 1516 1
4 . 1 1 7 7 TRP HB3 H 1 3.18 . . 2 . . . . . . . . 1516 1
5 . 1 1 14 14 GLU H H 1 7.2 . . 1 . . . . . . . . 1516 1
6 . 1 1 14 14 GLU HA H 1 3.25 . . 1 . . . . . . . . 1516 1
7 . 1 1 14 14 GLU HB2 H 1 .5 . . 1 . . . . . . . . 1516 1
8 . 1 1 14 14 GLU HB3 H 1 .5 . . 1 . . . . . . . . 1516 1
9 . 1 1 16 16 MET H H 1 7.99 . . 1 . . . . . . . . 1516 1
10 . 1 1 16 16 MET HA H 1 3.77 . . 1 . . . . . . . . 1516 1
11 . 1 1 16 16 MET HB2 H 1 2.57 . . 1 . . . . . . . . 1516 1
12 . 1 1 16 16 MET HB3 H 1 2.57 . . 1 . . . . . . . . 1516 1
13 . 1 1 16 16 MET HG2 H 1 3.02 . . 1 . . . . . . . . 1516 1
14 . 1 1 16 16 MET HG3 H 1 3.02 . . 1 . . . . . . . . 1516 1
15 . 1 1 16 16 MET HE1 H 1 2.13 . . 1 . . . . . . . . 1516 1
16 . 1 1 16 16 MET HE2 H 1 2.13 . . 1 . . . . . . . . 1516 1
17 . 1 1 16 16 MET HE3 H 1 2.13 . . 1 . . . . . . . . 1516 1
18 . 1 1 17 17 ALA H H 1 8.21 . . 1 . . . . . . . . 1516 1
19 . 1 1 17 17 ALA HA H 1 3.27 . . 1 . . . . . . . . 1516 1
20 . 1 1 17 17 ALA HB1 H 1 .91 . . 1 . . . . . . . . 1516 1
21 . 1 1 17 17 ALA HB2 H 1 .91 . . 1 . . . . . . . . 1516 1
22 . 1 1 17 17 ALA HB3 H 1 .91 . . 1 . . . . . . . . 1516 1
23 . 1 1 25 25 LYS H H 1 8.23 . . 1 . . . . . . . . 1516 1
24 . 1 1 25 25 LYS HA H 1 4.26 . . 1 . . . . . . . . 1516 1
25 . 1 1 25 25 LYS HB2 H 1 1.81 . . 1 . . . . . . . . 1516 1
26 . 1 1 25 25 LYS HB3 H 1 1.81 . . 1 . . . . . . . . 1516 1
27 . 1 1 25 25 LYS HG2 H 1 1.73 . . 2 . . . . . . . . 1516 1
28 . 1 1 25 25 LYS HG3 H 1 1.63 . . 2 . . . . . . . . 1516 1
29 . 1 1 25 25 LYS HE2 H 1 2.94 . . 2 . . . . . . . . 1516 1
30 . 1 1 25 25 LYS HE3 H 1 2.3 . . 2 . . . . . . . . 1516 1
31 . 1 1 35 35 ARG H H 1 8.18 . . 1 . . . . . . . . 1516 1
32 . 1 1 35 35 ARG HA H 1 4.41 . . 1 . . . . . . . . 1516 1
33 . 1 1 35 35 ARG HB2 H 1 1.45 . . 1 . . . . . . . . 1516 1
34 . 1 1 35 35 ARG HB3 H 1 1.45 . . 1 . . . . . . . . 1516 1
35 . 1 1 36 36 PHE H H 1 7.6 . . 1 . . . . . . . . 1516 1
36 . 1 1 36 36 PHE HA H 1 3.22 . . 1 . . . . . . . . 1516 1
37 . 1 1 36 36 PHE HB2 H 1 2.51 . . 2 . . . . . . . . 1516 1
38 . 1 1 36 36 PHE HB3 H 1 2.41 . . 2 . . . . . . . . 1516 1
39 . 1 1 36 36 PHE HD1 H 1 6.12 . . 1 . . . . . . . . 1516 1
40 . 1 1 36 36 PHE HD2 H 1 6.12 . . 1 . . . . . . . . 1516 1
41 . 1 1 36 36 PHE HE1 H 1 7.38 . . 1 . . . . . . . . 1516 1
42 . 1 1 36 36 PHE HE2 H 1 7.38 . . 1 . . . . . . . . 1516 1
43 . 1 1 36 36 PHE HZ H 1 7.13 . . 1 . . . . . . . . 1516 1
44 . 1 1 37 37 GLU H H 1 10.21 . . 1 . . . . . . . . 1516 1
45 . 1 1 37 37 GLU HA H 1 4.12 . . 1 . . . . . . . . 1516 1
46 . 1 1 37 37 GLU HB2 H 1 2.18 . . 1 . . . . . . . . 1516 1
47 . 1 1 37 37 GLU HB3 H 1 2.18 . . 1 . . . . . . . . 1516 1
48 . 1 1 37 37 GLU HG2 H 1 2.55 . . 2 . . . . . . . . 1516 1
49 . 1 1 37 37 GLU HG3 H 1 1.8 . . 2 . . . . . . . . 1516 1
50 . 1 1 42 42 ASP H H 1 8.01 . . 1 . . . . . . . . 1516 1
51 . 1 1 42 42 ASP HA H 1 4.3 . . 1 . . . . . . . . 1516 1
52 . 1 1 42 42 ASP HB2 H 1 2.59 . . 2 . . . . . . . . 1516 1
53 . 1 1 42 42 ASP HB3 H 1 2.54 . . 2 . . . . . . . . 1516 1
54 . 1 1 47 47 LYS H H 1 7.54 . . 1 . . . . . . . . 1516 1
55 . 1 1 47 47 LYS HA H 1 4.52 . . 1 . . . . . . . . 1516 1
56 . 1 1 68 68 GLU H H 1 8.52 . . 1 . . . . . . . . 1516 1
57 . 1 1 68 68 GLU HA H 1 4.15 . . 1 . . . . . . . . 1516 1
58 . 1 1 68 68 GLU HB2 H 1 1.95 . . 1 . . . . . . . . 1516 1
59 . 1 1 68 68 GLU HB3 H 1 1.95 . . 1 . . . . . . . . 1516 1
60 . 1 1 68 68 GLU HG2 H 1 2.55 . . 2 . . . . . . . . 1516 1
61 . 1 1 68 68 GLU HG3 H 1 2.4 . . 2 . . . . . . . . 1516 1
62 . 1 1 81 81 LYS H H 1 8.16 . . 1 . . . . . . . . 1516 1
63 . 1 1 81 81 LYS HA H 1 4.71 . . 1 . . . . . . . . 1516 1
64 . 1 1 81 81 LYS HB2 H 1 1.95 . . 1 . . . . . . . . 1516 1
65 . 1 1 81 81 LYS HB3 H 1 1.95 . . 1 . . . . . . . . 1516 1
66 . 1 1 81 81 LYS HG2 H 1 1.39 . . 1 . . . . . . . . 1516 1
67 . 1 1 81 81 LYS HG3 H 1 1.39 . . 1 . . . . . . . . 1516 1
68 . 1 1 81 81 LYS HD2 H 1 1.66 . . 1 . . . . . . . . 1516 1
69 . 1 1 81 81 LYS HD3 H 1 1.66 . . 1 . . . . . . . . 1516 1
70 . 1 1 102 102 GLN H H 1 7.59 . . 1 . . . . . . . . 1516 1
71 . 1 1 102 102 GLN HA H 1 4.11 . . 1 . . . . . . . . 1516 1
72 . 1 1 102 102 GLN HB2 H 1 2.22 . . 2 . . . . . . . . 1516 1
73 . 1 1 102 102 GLN HB3 H 1 1.6 . . 2 . . . . . . . . 1516 1
74 . 1 1 102 102 GLN HG2 H 1 2.5 . . 1 . . . . . . . . 1516 1
75 . 1 1 102 102 GLN HG3 H 1 2.5 . . 1 . . . . . . . . 1516 1
76 . 1 1 103 103 ARG H H 1 8.21 . . 1 . . . . . . . . 1516 1
77 . 1 1 103 103 ARG HA H 1 4.24 . . 1 . . . . . . . . 1516 1
78 . 1 1 103 103 ARG HB2 H 1 1.8 . . 2 . . . . . . . . 1516 1
79 . 1 1 103 103 ARG HB3 H 1 1.73 . . 2 . . . . . . . . 1516 1
80 . 1 1 104 104 THR H H 1 8.49 . . 1 . . . . . . . . 1516 1
81 . 1 1 104 104 THR HA H 1 3.98 . . 1 . . . . . . . . 1516 1
82 . 1 1 104 104 THR HB H 1 4.06 . . 1 . . . . . . . . 1516 1
83 . 1 1 104 104 THR HG1 H 1 3.68 . . 1 . . . . . . . . 1516 1
84 . 1 1 104 104 THR HG21 H 1 .96 . . 1 . . . . . . . . 1516 1
85 . 1 1 104 104 THR HG22 H 1 .96 . . 1 . . . . . . . . 1516 1
86 . 1 1 104 104 THR HG23 H 1 .96 . . 1 . . . . . . . . 1516 1
87 . 1 1 109 109 ALA H H 1 7.54 . . 1 . . . . . . . . 1516 1
88 . 1 1 109 109 ALA HA H 1 4.71 . . 1 . . . . . . . . 1516 1
89 . 1 1 109 109 ALA HB1 H 1 1.23 . . 1 . . . . . . . . 1516 1
90 . 1 1 109 109 ALA HB2 H 1 1.23 . . 1 . . . . . . . . 1516 1
91 . 1 1 109 109 ALA HB3 H 1 1.23 . . 1 . . . . . . . . 1516 1
stop_
save_