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 52500
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 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 $chem_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 .
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_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-ARO' . . . 52500 1
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_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 . . 52500 1
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_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 2 2 TYR H H 1 8.06 0.04 . 3 . . . . . 2 TYR H . 52500 1
2 . 1 . 1 2 2 TYR HA H 1 4.78 0.04 . 1 . . . . . 2 TYR HA . 52500 1
3 . 1 . 1 2 2 TYR HB2 H 1 2.84 0.04 . 1 . . . . . 2 TYR HB2 . 52500 1
4 . 1 . 1 2 2 TYR HB3 H 1 2.91 0.04 . 2 . . . . . 2 TYR HB3 . 52500 1
5 . 1 . 1 2 2 TYR HD1 H 1 7.02 0.04 . 3 . . . . . 2 TYR HD1 . 52500 1
6 . 1 . 1 2 2 TYR HD2 H 1 7.02 0.04 . 3 . . . . . 2 TYR HD2 . 52500 1
7 . 1 . 1 2 2 TYR HE1 H 1 6.73 0.04 . 3 . . . . . 2 TYR HE1 . 52500 1
8 . 1 . 1 2 2 TYR HE2 H 1 6.73 0.04 . 3 . . . . . 2 TYR HE2 . 52500 1
9 . 1 . 1 3 3 CPI HA H 1 5.11 0.04 . 5 . . . . . 3 CPI HA . 52500 1
10 . 1 . 1 3 3 CPI HB2 H 1 1.07 0.04 . 5 . . . . . 3 CPI HB2 . 52500 1
11 . 1 . 1 3 3 CPI HB3 H 1 2.11 0.04 . 5 . . . . . 3 CPI HB3 . 52500 1
12 . 1 . 1 3 3 CPI HG2 H 1 1.28 0.04 . 5 . . . . . 3 CPI HG2 . 52500 1
13 . 1 . 1 3 3 CPI HG3 H 1 1.08 0.04 . 5 . . . . . 3 CPI HG3 . 52500 1
14 . 1 . 1 3 3 CPI HD2 H 1 0.30 0.04 . 5 . . . . . 3 CPI HD2 . 52500 1
15 . 1 . 1 3 3 CPI HD3 H 1 1.34 0.04 . 5 . . . . . 3 CPI HD3 . 52500 1
16 . 1 . 1 3 3 CPI HE2 H 1 3.68 0.04 . 5 . . . . . 3 CPI HE2 . 52500 1
17 . 1 . 1 3 3 CPI HE3 H 1 3.11 0.04 . 5 . . . . . 3 CPI HE3 . 52500 1
18 . 1 . 1 4 4 TYR H H 1 7.79 0.04 . 5 . . . . . 4 TYR H . 52500 1
19 . 1 . 1 4 4 TYR HA H 1 4.76 0.04 . 5 . . . . . 4 TYR HA . 52500 1
20 . 1 . 1 4 4 TYR HB2 H 1 2.89 0.04 . 5 . . . . . 4 TYR HB2 . 52500 1
21 . 1 . 1 4 4 TYR HB3 H 1 3.01 0.04 . 5 . . . . . 4 TYR HB3 . 52500 1
22 . 1 . 1 4 4 TYR HD1 H 1 7.00 0.04 . 5 . . . . . 4 TYR HD1 . 52500 1
23 . 1 . 1 4 4 TYR HD2 H 1 7.00 0.04 . 5 . . . . . 4 TYR HD2 . 52500 1
24 . 1 . 1 4 4 TYR HE1 H 1 6.74 0.04 . 5 . . . . . 4 TYR HE1 . 52500 1
25 . 1 . 1 4 4 TYR HE2 H 1 6.74 0.04 . 5 . . . . . 4 TYR HE2 . 52500 1
26 . 1 . 1 5 5 CPI HA H 1 5.03 0.04 . 5 . . . . . 5 CPI HA . 52500 1
27 . 1 . 1 5 5 CPI HB2 H 1 1.02 0.04 . 5 . . . . . 5 CPI HB2 . 52500 1
28 . 1 . 1 5 5 CPI HB3 H 1 2.03 0.04 . 5 . . . . . 5 CPI HB3 . 52500 1
29 . 1 . 1 5 5 CPI HG2 H 1 1.23 0.04 . 5 . . . . . 5 CPI HG2 . 52500 1
30 . 1 . 1 5 5 CPI HG3 H 1 1.02 0.04 . 5 . . . . . 5 CPI HG3 . 52500 1
31 . 1 . 1 5 5 CPI HD2 H 1 -0.01 0.04 . 5 . . . . . 5 CPI HD2 . 52500 1
32 . 1 . 1 5 5 CPI HD3 H 1 1.17 0.04 . 5 . . . . . 5 CPI HD3 . 52500 1
33 . 1 . 1 5 5 CPI HE2 H 1 3.56 0.04 . 5 . . . . . 5 CPI HE2 . 52500 1
34 . 1 . 1 5 5 CPI HE3 H 1 2.99 0.04 . 5 . . . . . 5 CPI HE3 . 52500 1
35 . 1 . 1 6 6 TYR H H 1 7.72 0.04 . 5 . . . . . 6 TYR H . 52500 1
36 . 1 . 1 6 6 TYR HA H 1 4.75 0.04 . 5 . . . . . 6 TYR HA . 52500 1
37 . 1 . 1 6 6 TYR HB2 H 1 2.88 0.04 . 5 . . . . . 6 TYR HB2 . 52500 1
38 . 1 . 1 6 6 TYR HB3 H 1 2.96 0.04 . 5 . . . . . 6 TYR HB3 . 52500 1
39 . 1 . 1 6 6 TYR HD1 H 1 7.02 0.04 . 5 . . . . . 6 TYR HD1 . 52500 1
40 . 1 . 1 6 6 TYR HD2 H 1 7.02 0.04 . 5 . . . . . 6 TYR HD2 . 52500 1
41 . 1 . 1 6 6 TYR HE1 H 1 6.74 0.04 . 5 . . . . . 6 TYR HE1 . 52500 1
42 . 1 . 1 6 6 TYR HE2 H 1 6.74 0.04 . 5 . . . . . 6 TYR HE2 . 52500 1
43 . 1 . 1 7 7 CPI HA H 1 5.11 0.04 . 5 . . . . . 7 CPI HA . 52500 1
44 . 1 . 1 7 7 CPI HB2 H 1 1.11 0.04 . 5 . . . . . 7 CPI HB2 . 52500 1
45 . 1 . 1 7 7 CPI HB3 H 1 2.11 0.04 . 5 . . . . . 7 CPI HB3 . 52500 1
46 . 1 . 1 7 7 CPI HG2 H 1 1.11 0.04 . 5 . . . . . 7 CPI HG2 . 52500 1
47 . 1 . 1 7 7 CPI HG3 H 1 1.34 0.04 . 5 . . . . . 7 CPI HG3 . 52500 1
48 . 1 . 1 7 7 CPI HD2 H 1 0.15 0.04 . 5 . . . . . 7 CPI HD2 . 52500 1
49 . 1 . 1 7 7 CPI HD3 H 1 1.24 0.04 . 5 . . . . . 7 CPI HD3 . 52500 1
50 . 1 . 1 7 7 CPI HE2 H 1 3.66 0.04 . 5 . . . . . 7 CPI HE2 . 52500 1
51 . 1 . 1 7 7 CPI HE3 H 1 3.11 0.04 . 5 . . . . . 7 CPI HE3 . 52500 1
52 . 1 . 1 8 8 TYR H H 1 7.79 0.04 . 5 . . . . . 8 TYR H . 52500 1
53 . 1 . 1 8 8 TYR HA H 1 4.75 0.04 . 5 . . . . . 8 TYR HA . 52500 1
54 . 1 . 1 8 8 TYR HB2 H 1 2.88 0.04 . 5 . . . . . 8 TYR HB2 . 52500 1
55 . 1 . 1 8 8 TYR HB3 H 1 3.01 0.04 . 5 . . . . . 8 TYR HB3 . 52500 1
56 . 1 . 1 8 8 TYR HD1 H 1 7.00 0.04 . 5 . . . . . 8 TYR HD1 . 52500 1
57 . 1 . 1 8 8 TYR HD2 H 1 7.00 0.04 . 5 . . . . . 8 TYR HD2 . 52500 1
58 . 1 . 1 8 8 TYR HE1 H 1 6.74 0.04 . 5 . . . . . 8 TYR HE1 . 52500 1
59 . 1 . 1 8 8 TYR HE2 H 1 6.74 0.04 . 5 . . . . . 8 TYR HE2 . 52500 1
60 . 1 . 1 9 9 CPI HA H 1 5.07 0.04 . 5 . . . . . 9 CPI HA . 52500 1
61 . 1 . 1 9 9 CPI HB2 H 1 1.02 0.04 . 5 . . . . . 9 CPI HB2 . 52500 1
62 . 1 . 1 9 9 CPI HB3 H 1 2.11 0.04 . 5 . . . . . 9 CPI HB3 . 52500 1
63 . 1 . 1 9 9 CPI HG2 H 1 1.28 0.04 . 5 . . . . . 9 CPI HG2 . 52500 1
64 . 1 . 1 9 9 CPI HG3 H 1 1.07 0.04 . 5 . . . . . 9 CPI HG3 . 52500 1
65 . 1 . 1 9 9 CPI HD2 H 1 0.00 0.04 . 5 . . . . . 9 CPI HD2 . 52500 1
66 . 1 . 1 9 9 CPI HD3 H 1 1.20 0.04 . 5 . . . . . 9 CPI HD3 . 52500 1
67 . 1 . 1 9 9 CPI HE2 H 1 3.60 0.04 . 5 . . . . . 9 CPI HE2 . 52500 1
68 . 1 . 1 9 9 CPI HE3 H 1 3.08 0.04 . 5 . . . . . 9 CPI HE3 . 52500 1
69 . 1 . 1 10 10 TYR H H 1 7.69 0.04 . 5 . . . . . 10 TYR H . 52500 1
70 . 1 . 1 10 10 TYR HA H 1 4.74 0.04 . 5 . . . . . 10 TYR HA . 52500 1
71 . 1 . 1 10 10 TYR HB2 H 1 2.88 0.04 . 5 . . . . . 10 TYR HB2 . 52500 1
72 . 1 . 1 10 10 TYR HB3 H 1 2.96 0.04 . 5 . . . . . 10 TYR HB3 . 52500 1
73 . 1 . 1 10 10 TYR HD1 H 1 7.02 0.04 . 5 . . . . . 10 TYR HD1 . 52500 1
74 . 1 . 1 10 10 TYR HD2 H 1 7.02 0.04 . 5 . . . . . 10 TYR HD2 . 52500 1
75 . 1 . 1 10 10 TYR HE1 H 1 6.74 0.04 . 5 . . . . . 10 TYR HE1 . 52500 1
76 . 1 . 1 10 10 TYR HE2 H 1 6.74 0.04 . 5 . . . . . 10 TYR HE2 . 52500 1
77 . 1 . 1 11 11 CPI HA H 1 4.98 0.04 . 5 . . . . . 11 CPI HA . 52500 1
78 . 1 . 1 11 11 CPI HB2 H 1 1.08 0.04 . 5 . . . . . 11 CPI HB2 . 52500 1
79 . 1 . 1 11 11 CPI HB3 H 1 2.11 0.04 . 5 . . . . . 11 CPI HB3 . 52500 1
80 . 1 . 1 11 11 CPI HG2 H 1 1.14 0.04 . 5 . . . . . 11 CPI HG2 . 52500 1
81 . 1 . 1 11 11 CPI HG3 H 1 1.08 0.04 . 5 . . . . . 11 CPI HG3 . 52500 1
82 . 1 . 1 11 11 CPI HD2 H 1 0.18 0.04 . 5 . . . . . 11 CPI HD2 . 52500 1
83 . 1 . 1 11 11 CPI HD3 H 1 1.22 0.04 . 5 . . . . . 11 CPI HD3 . 52500 1
84 . 1 . 1 11 11 CPI HE2 H 1 3.53 0.04 . 5 . . . . . 11 CPI HE2 . 52500 1
85 . 1 . 1 11 11 CPI HE3 H 1 2.85 0.04 . 5 . . . . . 11 CPI HE3 . 52500 1
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