Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 27694
_Assigned_chem_shift_list.ID 1
_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 $chemical_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 1H-13C HSQC aromatic' . . . 27694 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.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 15 15 PHE HD1 H 1 7.04 0.01 . 3 . . . . . 15 F HD* . 27694 1
2 . 1 1 15 15 PHE HD2 H 1 7.04 0.01 . 3 . . . . . 15 F HD* . 27694 1
3 . 1 1 15 15 PHE HE1 H 1 7.109 0.01 . 3 . . . . . 15 F HE* . 27694 1
4 . 1 1 15 15 PHE HE2 H 1 7.109 0.01 . 3 . . . . . 15 F HE* . 27694 1
5 . 1 1 15 15 PHE CD1 C 13 133.45 0.015 . 3 . . . . . 15 F CD* . 27694 1
6 . 1 1 15 15 PHE CD2 C 13 133.45 0.015 . 3 . . . . . 15 F CD* . 27694 1
7 . 1 1 15 15 PHE CE1 C 13 131.529 0.015 . 3 . . . . . 15 F CE* . 27694 1
8 . 1 1 15 15 PHE CE2 C 13 131.529 0.015 . 3 . . . . . 15 F CE* . 27694 1
9 . 1 1 25 25 HIS HD2 H 1 6.988 0.01 . 4 . . . . . 25 H HD2 . 27694 1
10 . 1 1 25 25 HIS HE1 H 1 7.106 0.01 . 4 . . . . . 25 H HE1 . 27694 1
11 . 1 1 25 25 HIS CD2 C 13 118.251 0.015 . 4 . . . . . 25 H CD2 . 27694 1
12 . 1 1 25 25 HIS CE1 C 13 137.859 0.015 . 4 . . . . . 25 H CE1 . 27694 1
13 . 1 1 26 26 TYR HD1 H 1 6.83 0.01 . 3 . . . . . 26 Y HD* . 27694 1
14 . 1 1 26 26 TYR HD2 H 1 6.83 0.01 . 3 . . . . . 26 Y HD* . 27694 1
15 . 1 1 26 26 TYR HE1 H 1 6.52 0.01 . 3 . . . . . 26 Y HE* . 27694 1
16 . 1 1 26 26 TYR HE2 H 1 6.52 0.01 . 3 . . . . . 26 Y HE* . 27694 1
17 . 1 1 26 26 TYR CD1 C 13 133.36 0.015 . 3 . . . . . 26 Y CD* . 27694 1
18 . 1 1 26 26 TYR CD2 C 13 133.36 0.015 . 3 . . . . . 26 Y CD* . 27694 1
19 . 1 1 26 26 TYR CE1 C 13 118.711 0.015 . 3 . . . . . 26 Y CE* . 27694 1
20 . 1 1 26 26 TYR CE2 C 13 118.711 0.015 . 3 . . . . . 26 Y CE* . 27694 1
21 . 1 1 36 36 PHE HD1 H 1 6.732 0.01 . 3 . . . . . 36 F HD* . 27694 1
22 . 1 1 36 36 PHE HD2 H 1 6.732 0.01 . 3 . . . . . 36 F HD* . 27694 1
23 . 1 1 36 36 PHE HE1 H 1 6.756 0.01 . 3 . . . . . 36 F HE* . 27694 1
24 . 1 1 36 36 PHE HE2 H 1 6.756 0.01 . 3 . . . . . 36 F HE* . 27694 1
25 . 1 1 36 36 PHE CD1 C 13 133.513 0.015 . 3 . . . . . 36 F CD* . 27694 1
26 . 1 1 36 36 PHE CD2 C 13 133.513 0.015 . 3 . . . . . 36 F CD* . 27694 1
27 . 1 1 36 36 PHE CE1 C 13 130.356 0.015 . 3 . . . . . 36 F CE* . 27694 1
28 . 1 1 36 36 PHE CE2 C 13 130.356 0.015 . 3 . . . . . 36 F CE* . 27694 1
29 . 1 1 46 46 PHE HD1 H 1 7.7 0.01 . 3 . . . . . 46 F HD* . 27694 1
30 . 1 1 46 46 PHE HD2 H 1 7.7 0.01 . 3 . . . . . 46 F HD* . 27694 1
31 . 1 1 46 46 PHE HE1 H 1 7.003 0.01 . 3 . . . . . 46 F HE* . 27694 1
32 . 1 1 46 46 PHE HE2 H 1 7.003 0.01 . 3 . . . . . 46 F HE* . 27694 1
33 . 1 1 46 46 PHE CD1 C 13 132.151 0.015 . 3 . . . . . 46 F CD* . 27694 1
34 . 1 1 46 46 PHE CD2 C 13 132.151 0.015 . 3 . . . . . 46 F CD* . 27694 1
35 . 1 1 46 46 PHE CE1 C 13 132.807 0.015 . 3 . . . . . 46 F CE* . 27694 1
36 . 1 1 46 46 PHE CE2 C 13 132.807 0.015 . 3 . . . . . 46 F CE* . 27694 1
37 . 1 1 48 48 PHE HD1 H 1 6.922 0.01 . 3 . . . . . 48 F HD* . 27694 1
38 . 1 1 48 48 PHE HD2 H 1 6.922 0.01 . 3 . . . . . 48 F HD* . 27694 1
39 . 1 1 48 48 PHE HE1 H 1 7.226 0.01 . 3 . . . . . 48 F HE* . 27694 1
40 . 1 1 48 48 PHE HE2 H 1 7.226 0.01 . 3 . . . . . 48 F HE* . 27694 1
41 . 1 1 48 48 PHE CD1 C 13 133.277 0.015 . 3 . . . . . 48 F CD* . 27694 1
42 . 1 1 48 48 PHE CD2 C 13 133.277 0.015 . 3 . . . . . 48 F CD* . 27694 1
43 . 1 1 48 48 PHE CE1 C 13 131.859 0.015 . 3 . . . . . 48 F CE* . 27694 1
44 . 1 1 48 48 PHE CE2 C 13 131.859 0.015 . 3 . . . . . 48 F CE* . 27694 1
45 . 1 1 59 59 TRP HD1 H 1 6.694 0.01 . 4 . . . . . 59 W HD1 . 27694 1
46 . 1 1 59 59 TRP HE3 H 1 6.863 0.01 . 4 . . . . . 59 W HE3 . 27694 1
47 . 1 1 59 59 TRP HZ2 H 1 6.261 0.01 . 4 . . . . . 59 W HZ2 . 27694 1
48 . 1 1 59 59 TRP HZ3 H 1 6.666 0.01 . 4 . . . . . 59 W HZ3 . 27694 1
49 . 1 1 59 59 TRP CD1 C 13 122.298 0.015 . 4 . . . . . 59 W CD1 . 27694 1
50 . 1 1 59 59 TRP CE3 C 13 121.158 0.015 . 4 . . . . . 59 W CE3 . 27694 1
51 . 1 1 59 59 TRP CZ2 C 13 113.686 0.015 . 4 . . . . . 59 W CZ2 . 27694 1
52 . 1 1 59 59 TRP CZ3 C 13 122.319 0.015 . 4 . . . . . 59 W CZ3 . 27694 1
53 . 1 1 80 80 TYR HD1 H 1 6.724 0.01 . 3 . . . . . 80 Y HD* . 27694 1
54 . 1 1 80 80 TYR HD2 H 1 6.724 0.01 . 3 . . . . . 80 Y HD* . 27694 1
55 . 1 1 80 80 TYR HE1 H 1 6.847 0.01 . 3 . . . . . 80 Y HE* . 27694 1
56 . 1 1 80 80 TYR HE2 H 1 6.847 0.01 . 3 . . . . . 80 Y HE* . 27694 1
57 . 1 1 80 80 TYR CD1 C 13 131.956 0.015 . 3 . . . . . 80 Y CD* . 27694 1
58 . 1 1 80 80 TYR CD2 C 13 131.956 0.015 . 3 . . . . . 80 Y CD* . 27694 1
59 . 1 1 80 80 TYR CE1 C 13 119.384 0.015 . 3 . . . . . 80 Y CE* . 27694 1
60 . 1 1 80 80 TYR CE2 C 13 119.384 0.015 . 3 . . . . . 80 Y CE* . 27694 1
61 . 1 1 82 82 TYR HD1 H 1 7.09 0.01 . 3 . . . . . 82 Y HD* . 27694 1
62 . 1 1 82 82 TYR HD2 H 1 7.09 0.01 . 3 . . . . . 82 Y HD* . 27694 1
63 . 1 1 82 82 TYR HE1 H 1 6.59 0.01 . 3 . . . . . 82 Y HE* . 27694 1
64 . 1 1 82 82 TYR HE2 H 1 6.59 0.01 . 3 . . . . . 82 Y HE* . 27694 1
65 . 1 1 82 82 TYR CD1 C 13 133.596 0.015 . 3 . . . . . 82 Y CD* . 27694 1
66 . 1 1 82 82 TYR CD2 C 13 133.596 0.015 . 3 . . . . . 82 Y CD* . 27694 1
67 . 1 1 82 82 TYR CE1 C 13 118.88 0.015 . 3 . . . . . 82 Y CE* . 27694 1
68 . 1 1 82 82 TYR CE2 C 13 118.88 0.015 . 3 . . . . . 82 Y CE* . 27694 1
69 . 1 1 87 87 HIS HD2 H 1 6.502 0.01 . 4 . . . . . 87 H HD2 . 27694 1
70 . 1 1 87 87 HIS HE1 H 1 7.632 0.01 . 4 . . . . . 87 H HE1 . 27694 1
71 . 1 1 87 87 HIS CD2 C 13 119.139 0.015 . 4 . . . . . 87 H CD2 . 27694 1
72 . 1 1 87 87 HIS CE1 C 13 139.683 0.015 . 4 . . . . . 87 H CE1 . 27694 1
73 . 1 1 94 94 HIS HD2 H 1 6.888 0.01 . 4 . . . . . 94 H HD2 . 27694 1
74 . 1 1 94 94 HIS HE1 H 1 7.737 0.01 . 4 . . . . . 94 H HE1 . 27694 1
75 . 1 1 94 94 HIS CD2 C 13 120.627 0.015 . 4 . . . . . 94 H CD2 . 27694 1
76 . 1 1 94 94 HIS CE1 C 13 139.49 0.015 . 4 . . . . . 94 H CE1 . 27694 1
77 . 1 1 99 99 PHE HD1 H 1 6.609 0.01 . 3 . . . . . 99 F HD* . 27694 1
78 . 1 1 99 99 PHE HD2 H 1 6.609 0.01 . 3 . . . . . 99 F HD* . 27694 1
79 . 1 1 99 99 PHE HE1 H 1 6.657 0.01 . 3 . . . . . 99 F HE* . 27694 1
80 . 1 1 99 99 PHE HE2 H 1 6.657 0.01 . 3 . . . . . 99 F HE* . 27694 1
81 . 1 1 99 99 PHE CD1 C 13 130.879 0.015 . 3 . . . . . 99 F CD* . 27694 1
82 . 1 1 99 99 PHE CD2 C 13 130.879 0.015 . 3 . . . . . 99 F CD* . 27694 1
83 . 1 1 99 99 PHE CE1 C 13 132.111 0.015 . 3 . . . . . 99 F CE* . 27694 1
84 . 1 1 99 99 PHE CE2 C 13 132.111 0.015 . 3 . . . . . 99 F CE* . 27694 1
stop_
save_