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 791
_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 $sample_one . 791 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 3 3 PHE CG C 13 139.5 . . 1 . . . . . . . . 791 1
2 . 1 1 3 3 PHE CD1 C 13 130.2 . . 1 . . . . . . . . 791 1
3 . 1 1 3 3 PHE CD2 C 13 130.2 . . 1 . . . . . . . . 791 1
4 . 1 1 3 3 PHE CE1 C 13 130.4 . . 1 . . . . . . . . 791 1
5 . 1 1 3 3 PHE CE2 C 13 130.4 . . 1 . . . . . . . . 791 1
6 . 1 1 3 3 PHE CZ C 13 129.9 . . 1 . . . . . . . . 791 1
7 . 1 1 15 15 HIS CG C 13 130.4 . . 1 . . . . . . . . 791 1
8 . 1 1 15 15 HIS CD2 C 13 119.4 . . 1 . . . . . . . . 791 1
9 . 1 1 15 15 HIS CE1 C 13 136.6 . . 1 . . . . . . . . 791 1
10 . 1 1 20 20 TYR CG C 13 129.5 . . 1 . . . . . . . . 791 1
11 . 1 1 20 20 TYR CD1 C 13 132 . . 1 . . . . . . . . 791 1
12 . 1 1 20 20 TYR CD2 C 13 132 . . 1 . . . . . . . . 791 1
13 . 1 1 20 20 TYR CE1 C 13 117.7 . . 1 . . . . . . . . 791 1
14 . 1 1 20 20 TYR CE2 C 13 117.7 . . 1 . . . . . . . . 791 1
15 . 1 1 20 20 TYR CZ C 13 156.6 . . 1 . . . . . . . . 791 1
16 . 1 1 23 23 TYR CG C 13 131.1 . . 1 . . . . . . . . 791 1
17 . 1 1 23 23 TYR CD1 C 13 132.8 . . 1 . . . . . . . . 791 1
18 . 1 1 23 23 TYR CD2 C 13 132.8 . . 1 . . . . . . . . 791 1
19 . 1 1 23 23 TYR CE1 C 13 117.7 . . 1 . . . . . . . . 791 1
20 . 1 1 23 23 TYR CE2 C 13 117.7 . . 1 . . . . . . . . 791 1
21 . 1 1 23 23 TYR CZ C 13 154.6 . . 1 . . . . . . . . 791 1
22 . 1 1 28 28 TRP CG C 13 109.2 . . 1 . . . . . . . . 791 1
23 . 1 1 28 28 TRP CD1 C 13 127.1 . . 1 . . . . . . . . 791 1
24 . 1 1 28 28 TRP CD2 C 13 127.6 . . 1 . . . . . . . . 791 1
25 . 1 1 28 28 TRP CE2 C 13 138.3 . . 1 . . . . . . . . 791 1
26 . 1 1 28 28 TRP CE3 C 13 117.8 . . 1 . . . . . . . . 791 1
27 . 1 1 28 28 TRP CZ2 C 13 113.2 . . 1 . . . . . . . . 791 1
28 . 1 1 28 28 TRP CZ3 C 13 120.3 . . 1 . . . . . . . . 791 1
29 . 1 1 28 28 TRP CH2 C 13 122.6 . . 1 . . . . . . . . 791 1
30 . 1 1 34 34 PHE CG C 13 138.1 . . 1 . . . . . . . . 791 1
31 . 1 1 34 34 PHE CD1 C 13 131.1 . . 1 . . . . . . . . 791 1
32 . 1 1 34 34 PHE CD2 C 13 131.1 . . 1 . . . . . . . . 791 1
33 . 1 1 34 34 PHE CE1 C 13 130.6 . . 1 . . . . . . . . 791 1
34 . 1 1 34 34 PHE CE2 C 13 130.6 . . 1 . . . . . . . . 791 1
35 . 1 1 34 34 PHE CZ C 13 128.8 . . 1 . . . . . . . . 791 1
36 . 1 1 38 38 PHE CG C 13 139.2 . . 1 . . . . . . . . 791 1
37 . 1 1 38 38 PHE CD1 C 13 129.5 . . 1 . . . . . . . . 791 1
38 . 1 1 38 38 PHE CD2 C 13 129.5 . . 1 . . . . . . . . 791 1
39 . 1 1 38 38 PHE CE1 C 13 130.2 . . 1 . . . . . . . . 791 1
40 . 1 1 38 38 PHE CE2 C 13 130.2 . . 1 . . . . . . . . 791 1
41 . 1 1 38 38 PHE CZ C 13 127.1 . . 1 . . . . . . . . 791 1
42 . 1 1 53 53 TYR CG C 13 129.5 . . 1 . . . . . . . . 791 1
43 . 1 1 53 53 TYR CD1 C 13 132.5 . . 1 . . . . . . . . 791 1
44 . 1 1 53 53 TYR CD2 C 13 132.5 . . 1 . . . . . . . . 791 1
45 . 1 1 53 53 TYR CE1 C 13 117.5 . . 1 . . . . . . . . 791 1
46 . 1 1 53 53 TYR CE2 C 13 117.5 . . 1 . . . . . . . . 791 1
47 . 1 1 53 53 TYR CZ C 13 156.5 . . 1 . . . . . . . . 791 1
48 . 1 1 62 62 TRP CG C 13 113.7 . . 1 . . . . . . . . 791 1
49 . 1 1 62 62 TRP CD1 C 13 125.9 . . 1 . . . . . . . . 791 1
50 . 1 1 62 62 TRP CD2 C 13 127.4 . . 1 . . . . . . . . 791 1
51 . 1 1 62 62 TRP CE2 C 13 138 . . 1 . . . . . . . . 791 1
52 . 1 1 62 62 TRP CE3 C 13 118.9 . . 1 . . . . . . . . 791 1
53 . 1 1 62 62 TRP CZ2 C 13 113.8 . . 1 . . . . . . . . 791 1
54 . 1 1 62 62 TRP CZ3 C 13 121 . . 1 . . . . . . . . 791 1
55 . 1 1 62 62 TRP CH2 C 13 123.8 . . 1 . . . . . . . . 791 1
56 . 1 1 63 63 TRP CG C 13 110 . . 1 . . . . . . . . 791 1
57 . 1 1 63 63 TRP CD1 C 13 127.3 . . 1 . . . . . . . . 791 1
58 . 1 1 63 63 TRP CD2 C 13 128.1 . . 1 . . . . . . . . 791 1
59 . 1 1 63 63 TRP CE2 C 13 139.2 . . 1 . . . . . . . . 791 1
60 . 1 1 63 63 TRP CE3 C 13 122.2 . . 1 . . . . . . . . 791 1
61 . 1 1 63 63 TRP CZ2 C 13 113.7 . . 1 . . . . . . . . 791 1
62 . 1 1 63 63 TRP CZ3 C 13 121.5 . . 1 . . . . . . . . 791 1
63 . 1 1 63 63 TRP CH2 C 13 123.8 . . 1 . . . . . . . . 791 1
64 . 1 1 108 108 TRP CG C 13 112.9 . . 1 . . . . . . . . 791 1
65 . 1 1 108 108 TRP CD1 C 13 125.5 . . 1 . . . . . . . . 791 1
66 . 1 1 108 108 TRP CD2 C 13 130.1 . . 1 . . . . . . . . 791 1
67 . 1 1 108 108 TRP CE2 C 13 136.7 . . 1 . . . . . . . . 791 1
68 . 1 1 108 108 TRP CE3 C 13 119.6 . . 1 . . . . . . . . 791 1
69 . 1 1 108 108 TRP CZ2 C 13 111.4 . . 1 . . . . . . . . 791 1
70 . 1 1 108 108 TRP CZ3 C 13 120.5 . . 1 . . . . . . . . 791 1
71 . 1 1 108 108 TRP CH2 C 13 122.4 . . 1 . . . . . . . . 791 1
72 . 1 1 111 111 TRP CG C 13 109.2 . . 1 . . . . . . . . 791 1
73 . 1 1 111 111 TRP CD1 C 13 124.5 . . 1 . . . . . . . . 791 1
74 . 1 1 111 111 TRP CD2 C 13 128.9 . . 1 . . . . . . . . 791 1
75 . 1 1 111 111 TRP CE2 C 13 138.5 . . 1 . . . . . . . . 791 1
76 . 1 1 111 111 TRP CE3 C 13 120.5 . . 1 . . . . . . . . 791 1
77 . 1 1 111 111 TRP CZ2 C 13 113.5 . . 1 . . . . . . . . 791 1
78 . 1 1 111 111 TRP CZ3 C 13 120.3 . . 1 . . . . . . . . 791 1
79 . 1 1 111 111 TRP CH2 C 13 123.8 . . 1 . . . . . . . . 791 1
80 . 1 1 123 123 TRP CG C 13 112.2 . . 1 . . . . . . . . 791 1
81 . 1 1 123 123 TRP CD1 C 13 125.7 . . 1 . . . . . . . . 791 1
82 . 1 1 123 123 TRP CD2 C 13 127.2 . . 1 . . . . . . . . 791 1
83 . 1 1 123 123 TRP CE2 C 13 138.3 . . 1 . . . . . . . . 791 1
84 . 1 1 123 123 TRP CE3 C 13 117.9 . . 1 . . . . . . . . 791 1
85 . 1 1 123 123 TRP CZ2 C 13 114.9 . . 1 . . . . . . . . 791 1
86 . 1 1 123 123 TRP CZ3 C 13 120.5 . . 1 . . . . . . . . 791 1
87 . 1 1 123 123 TRP CH2 C 13 124.1 . . 1 . . . . . . . . 791 1
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save_