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 51925
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name Prazosin
_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 0.001
_Assigned_chem_shift_list.Chem_shift_13C_err 0.01
_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' . . . 51925 1
stop_
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 . . 51925 1
2 $software_2 . . 51925 1
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 12 12 ILE HD11 H 1 0.858 . . 1 . . . . . 42 ILE HD11 . 51925 1
2 . 1 . 1 12 12 ILE HD12 H 1 0.858 . . 1 . . . . . 42 ILE HD12 . 51925 1
3 . 1 . 1 12 12 ILE HD13 H 1 0.858 . . 1 . . . . . 42 ILE HD13 . 51925 1
4 . 1 . 1 12 12 ILE CD1 C 13 12.802 . . 1 . . . . . 42 ILE CD1 . 51925 1
5 . 1 . 1 16 16 ILE HD11 H 1 0.823 . . 1 . . . . . 46 ILE HD11 . 51925 1
6 . 1 . 1 16 16 ILE HD12 H 1 0.823 . . 1 . . . . . 46 ILE HD12 . 51925 1
7 . 1 . 1 16 16 ILE HD13 H 1 0.823 . . 1 . . . . . 46 ILE HD13 . 51925 1
8 . 1 . 1 16 16 ILE CD1 C 13 13.916 . . 1 . . . . . 46 ILE CD1 . 51925 1
9 . 1 . 1 26 26 ILE HD11 H 1 0.686 . . 1 . . . . . 56 ILE HD11 . 51925 1
10 . 1 . 1 26 26 ILE HD12 H 1 0.686 . . 1 . . . . . 56 ILE HD12 . 51925 1
11 . 1 . 1 26 26 ILE HD13 H 1 0.686 . . 1 . . . . . 56 ILE HD13 . 51925 1
12 . 1 . 1 26 26 ILE CD1 C 13 13.542 . . 1 . . . . . 56 ILE CD1 . 51925 1
13 . 1 . 1 30 30 ILE HD11 H 1 0.445 . . 1 . . . . . 60 ILE HD11 . 51925 1
14 . 1 . 1 30 30 ILE HD12 H 1 0.445 . . 1 . . . . . 60 ILE HD12 . 51925 1
15 . 1 . 1 30 30 ILE HD13 H 1 0.445 . . 1 . . . . . 60 ILE HD13 . 51925 1
16 . 1 . 1 30 30 ILE CD1 C 13 14.163 . . 1 . . . . . 60 ILE CD1 . 51925 1
17 . 1 . 1 37 37 ILE HD11 H 1 0.772 . . 1 . . . . . 67 ILE HD11 . 51925 1
18 . 1 . 1 37 37 ILE HD12 H 1 0.772 . . 1 . . . . . 67 ILE HD12 . 51925 1
19 . 1 . 1 37 37 ILE HD13 H 1 0.772 . . 1 . . . . . 67 ILE HD13 . 51925 1
20 . 1 . 1 37 37 ILE CD1 C 13 14.163 . . 1 . . . . . 67 ILE CD1 . 51925 1
21 . 1 . 1 111 111 ILE HD11 H 1 0.670 . . 1 . . . . . 141 ILE HD11 . 51925 1
22 . 1 . 1 111 111 ILE HD12 H 1 0.670 . . 1 . . . . . 141 ILE HD12 . 51925 1
23 . 1 . 1 111 111 ILE HD13 H 1 0.670 . . 1 . . . . . 141 ILE HD13 . 51925 1
24 . 1 . 1 111 111 ILE CD1 C 13 14.104 . . 1 . . . . . 141 ILE CD1 . 51925 1
25 . 1 . 1 115 115 ILE HD11 H 1 0.888 . . 1 . . . . . 145 ILE HD11 . 51925 1
26 . 1 . 1 115 115 ILE HD12 H 1 0.888 . . 1 . . . . . 145 ILE HD12 . 51925 1
27 . 1 . 1 115 115 ILE HD13 H 1 0.888 . . 1 . . . . . 145 ILE HD13 . 51925 1
28 . 1 . 1 115 115 ILE CD1 C 13 13.844 . . 1 . . . . . 145 ILE CD1 . 51925 1
29 . 1 . 1 133 133 ILE HD11 H 1 0.673 . . 1 . . . . . 163 ILE HD11 . 51925 1
30 . 1 . 1 133 133 ILE HD12 H 1 0.673 . . 1 . . . . . 163 ILE HD12 . 51925 1
31 . 1 . 1 133 133 ILE HD13 H 1 0.673 . . 1 . . . . . 163 ILE HD13 . 51925 1
32 . 1 . 1 133 133 ILE CD1 C 13 12.178 . . 1 . . . . . 163 ILE CD1 . 51925 1
33 . 1 . 1 146 146 ILE HD11 H 1 0.653 . . 1 . . . . . 176 ILE HD11 . 51925 1
34 . 1 . 1 146 146 ILE HD12 H 1 0.653 . . 1 . . . . . 176 ILE HD12 . 51925 1
35 . 1 . 1 146 146 ILE HD13 H 1 0.653 . . 1 . . . . . 176 ILE HD13 . 51925 1
36 . 1 . 1 146 146 ILE CD1 C 13 13.206 . . 1 . . . . . 176 ILE CD1 . 51925 1
37 . 1 . 1 148 148 ILE HD11 H 1 0.754 . . 1 . . . . . 178 ILE HD11 . 51925 1
38 . 1 . 1 148 148 ILE HD12 H 1 0.754 . . 1 . . . . . 178 ILE HD12 . 51925 1
39 . 1 . 1 148 148 ILE HD13 H 1 0.754 . . 1 . . . . . 178 ILE HD13 . 51925 1
40 . 1 . 1 148 148 ILE CD1 C 13 11.844 . . 1 . . . . . 178 ILE CD1 . 51925 1
41 . 1 . 1 184 184 ILE HD11 H 1 0.679 . . 1 . . . . . 214 ILE HD11 . 51925 1
42 . 1 . 1 184 184 ILE HD12 H 1 0.679 . . 1 . . . . . 214 ILE HD12 . 51925 1
43 . 1 . 1 184 184 ILE HD13 H 1 0.679 . . 1 . . . . . 214 ILE HD13 . 51925 1
44 . 1 . 1 184 184 ILE CD1 C 13 12.970 . . 1 . . . . . 214 ILE CD1 . 51925 1
45 . 1 . 1 189 189 ILE HD11 H 1 0.626 . . 1 . . . . . 219 ILE HD11 . 51925 1
46 . 1 . 1 189 189 ILE HD12 H 1 0.626 . . 1 . . . . . 219 ILE HD12 . 51925 1
47 . 1 . 1 189 189 ILE HD13 H 1 0.626 . . 1 . . . . . 219 ILE HD13 . 51925 1
48 . 1 . 1 189 189 ILE CD1 C 13 14.219 . . 1 . . . . . 219 ILE CD1 . 51925 1
49 . 1 . 1 198 198 ILE HD11 H 1 0.894 . . 1 . . . . . 228 ILE HD11 . 51925 1
50 . 1 . 1 198 198 ILE HD12 H 1 0.894 . . 1 . . . . . 228 ILE HD12 . 51925 1
51 . 1 . 1 198 198 ILE HD13 H 1 0.894 . . 1 . . . . . 228 ILE HD13 . 51925 1
52 . 1 . 1 198 198 ILE CD1 C 13 13.584 . . 1 . . . . . 228 ILE CD1 . 51925 1
53 . 1 . 1 223 223 ILE HD11 H 1 0.196 . . 1 . . . . . 298 ILE HD11 . 51925 1
54 . 1 . 1 223 223 ILE HD12 H 1 0.196 . . 1 . . . . . 298 ILE HD12 . 51925 1
55 . 1 . 1 223 223 ILE HD13 H 1 0.196 . . 1 . . . . . 298 ILE HD13 . 51925 1
56 . 1 . 1 223 223 ILE CD1 C 13 12.503 . . 1 . . . . . 298 ILE CD1 . 51925 1
57 . 1 . 1 237 237 ILE HD11 H 1 0.690 . . 1 . . . . . 312 ILE HD11 . 51925 1
58 . 1 . 1 237 237 ILE HD12 H 1 0.690 . . 1 . . . . . 312 ILE HD12 . 51925 1
59 . 1 . 1 237 237 ILE HD13 H 1 0.690 . . 1 . . . . . 312 ILE HD13 . 51925 1
60 . 1 . 1 237 237 ILE CD1 C 13 13.177 . . 1 . . . . . 312 ILE CD1 . 51925 1
stop_
save_