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 51922
_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' . . . 51922 1
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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 . . 51922 1
2 $software_2 . . 51922 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 0.856 . . 1 . . . . . 42 ILE HD11 . 51922 1
2 . 1 . 1 12 12 ILE HD12 H 1 0.856 . . 1 . . . . . 42 ILE HD12 . 51922 1
3 . 1 . 1 12 12 ILE HD13 H 1 0.856 . . 1 . . . . . 42 ILE HD13 . 51922 1
4 . 1 . 1 12 12 ILE CD1 C 13 12.967 . . 1 . . . . . 42 ILE CD1 . 51922 1
5 . 1 . 1 16 16 ILE HD11 H 1 0.822 . . 1 . . . . . 46 ILE HD11 . 51922 1
6 . 1 . 1 16 16 ILE HD12 H 1 0.822 . . 1 . . . . . 46 ILE HD12 . 51922 1
7 . 1 . 1 16 16 ILE HD13 H 1 0.822 . . 1 . . . . . 46 ILE HD13 . 51922 1
8 . 1 . 1 16 16 ILE CD1 C 13 13.727 . . 1 . . . . . 46 ILE CD1 . 51922 1
9 . 1 . 1 26 26 ILE HD11 H 1 0.686 . . 1 . . . . . 56 ILE HD11 . 51922 1
10 . 1 . 1 26 26 ILE HD12 H 1 0.686 . . 1 . . . . . 56 ILE HD12 . 51922 1
11 . 1 . 1 26 26 ILE HD13 H 1 0.686 . . 1 . . . . . 56 ILE HD13 . 51922 1
12 . 1 . 1 26 26 ILE CD1 C 13 13.425 . . 1 . . . . . 56 ILE CD1 . 51922 1
13 . 1 . 1 30 30 ILE HD11 H 1 0.461 . . 1 . . . . . 60 ILE HD11 . 51922 1
14 . 1 . 1 30 30 ILE HD12 H 1 0.461 . . 1 . . . . . 60 ILE HD12 . 51922 1
15 . 1 . 1 30 30 ILE HD13 H 1 0.461 . . 1 . . . . . 60 ILE HD13 . 51922 1
16 . 1 . 1 30 30 ILE CD1 C 13 13.978 . . 1 . . . . . 60 ILE CD1 . 51922 1
17 . 1 . 1 37 37 ILE HD11 H 1 0.784 . . 1 . . . . . 67 ILE HD11 . 51922 1
18 . 1 . 1 37 37 ILE HD12 H 1 0.784 . . 1 . . . . . 67 ILE HD12 . 51922 1
19 . 1 . 1 37 37 ILE HD13 H 1 0.784 . . 1 . . . . . 67 ILE HD13 . 51922 1
20 . 1 . 1 37 37 ILE CD1 C 13 14.153 . . 1 . . . . . 67 ILE CD1 . 51922 1
21 . 1 . 1 103 103 ILE HD11 H 1 0.695 . . 1 . . . . . 133 ILE HD11 . 51922 1
22 . 1 . 1 103 103 ILE HD12 H 1 0.695 . . 1 . . . . . 133 ILE HD12 . 51922 1
23 . 1 . 1 103 103 ILE HD13 H 1 0.695 . . 1 . . . . . 133 ILE HD13 . 51922 1
24 . 1 . 1 103 103 ILE CD1 C 13 14.509 . . 1 . . . . . 133 ILE CD1 . 51922 1
25 . 1 . 1 111 111 ILE HD11 H 1 0.688 . . 1 . . . . . 141 ILE HD11 . 51922 1
26 . 1 . 1 111 111 ILE HD12 H 1 0.688 . . 1 . . . . . 141 ILE HD12 . 51922 1
27 . 1 . 1 111 111 ILE HD13 H 1 0.688 . . 1 . . . . . 141 ILE HD13 . 51922 1
28 . 1 . 1 111 111 ILE CD1 C 13 14.206 . . 1 . . . . . 141 ILE CD1 . 51922 1
29 . 1 . 1 115 115 ILE HD11 H 1 0.881 . . 1 . . . . . 145 ILE HD11 . 51922 1
30 . 1 . 1 115 115 ILE HD12 H 1 0.881 . . 1 . . . . . 145 ILE HD12 . 51922 1
31 . 1 . 1 115 115 ILE HD13 H 1 0.881 . . 1 . . . . . 145 ILE HD13 . 51922 1
32 . 1 . 1 115 115 ILE CD1 C 13 13.697 . . 1 . . . . . 145 ILE CD1 . 51922 1
33 . 1 . 1 133 133 ILE HD11 H 1 0.667 . . 1 . . . . . 163 ILE HD11 . 51922 1
34 . 1 . 1 133 133 ILE HD12 H 1 0.667 . . 1 . . . . . 163 ILE HD12 . 51922 1
35 . 1 . 1 133 133 ILE HD13 H 1 0.667 . . 1 . . . . . 163 ILE HD13 . 51922 1
36 . 1 . 1 133 133 ILE CD1 C 13 12.533 . . 1 . . . . . 163 ILE CD1 . 51922 1
37 . 1 . 1 146 146 ILE HD11 H 1 0.638 . . 1 . . . . . 176 ILE HD11 . 51922 1
38 . 1 . 1 146 146 ILE HD12 H 1 0.638 . . 1 . . . . . 176 ILE HD12 . 51922 1
39 . 1 . 1 146 146 ILE HD13 H 1 0.638 . . 1 . . . . . 176 ILE HD13 . 51922 1
40 . 1 . 1 146 146 ILE CD1 C 13 12.960 . . 1 . . . . . 176 ILE CD1 . 51922 1
41 . 1 . 1 148 148 ILE HD11 H 1 0.764 . . 1 . . . . . 178 ILE HD11 . 51922 1
42 . 1 . 1 148 148 ILE HD12 H 1 0.764 . . 1 . . . . . 178 ILE HD12 . 51922 1
43 . 1 . 1 148 148 ILE HD13 H 1 0.764 . . 1 . . . . . 178 ILE HD13 . 51922 1
44 . 1 . 1 148 148 ILE CD1 C 13 12.074 . . 1 . . . . . 178 ILE CD1 . 51922 1
45 . 1 . 1 184 184 ILE HD11 H 1 0.672 . . 1 . . . . . 214 ILE HD11 . 51922 1
46 . 1 . 1 184 184 ILE HD12 H 1 0.672 . . 1 . . . . . 214 ILE HD12 . 51922 1
47 . 1 . 1 184 184 ILE HD13 H 1 0.672 . . 1 . . . . . 214 ILE HD13 . 51922 1
48 . 1 . 1 184 184 ILE CD1 C 13 12.783 . . 1 . . . . . 214 ILE CD1 . 51922 1
49 . 1 . 1 189 189 ILE HD11 H 1 0.628 . . 1 . . . . . 219 ILE HD11 . 51922 1
50 . 1 . 1 189 189 ILE HD12 H 1 0.628 . . 1 . . . . . 219 ILE HD12 . 51922 1
51 . 1 . 1 189 189 ILE HD13 H 1 0.628 . . 1 . . . . . 219 ILE HD13 . 51922 1
52 . 1 . 1 189 189 ILE CD1 C 13 14.256 . . 1 . . . . . 219 ILE CD1 . 51922 1
53 . 1 . 1 198 198 ILE HD11 H 1 0.898 . . 1 . . . . . 228 ILE HD11 . 51922 1
54 . 1 . 1 198 198 ILE HD12 H 1 0.898 . . 1 . . . . . 228 ILE HD12 . 51922 1
55 . 1 . 1 198 198 ILE HD13 H 1 0.898 . . 1 . . . . . 228 ILE HD13 . 51922 1
56 . 1 . 1 198 198 ILE CD1 C 13 13.435 . . 1 . . . . . 228 ILE CD1 . 51922 1
57 . 1 . 1 223 223 ILE HD11 H 1 0.259 . . 1 . . . . . 298 ILE HD11 . 51922 1
58 . 1 . 1 223 223 ILE HD12 H 1 0.259 . . 1 . . . . . 298 ILE HD12 . 51922 1
59 . 1 . 1 223 223 ILE HD13 H 1 0.259 . . 1 . . . . . 298 ILE HD13 . 51922 1
60 . 1 . 1 223 223 ILE CD1 C 13 12.477 . . 1 . . . . . 298 ILE CD1 . 51922 1
61 . 1 . 1 229 229 ILE HD11 H 1 0.705 . . 1 . . . . . 304 ILE HD11 . 51922 1
62 . 1 . 1 229 229 ILE HD12 H 1 0.705 . . 1 . . . . . 304 ILE HD12 . 51922 1
63 . 1 . 1 229 229 ILE HD13 H 1 0.705 . . 1 . . . . . 304 ILE HD13 . 51922 1
64 . 1 . 1 229 229 ILE CD1 C 13 14.482 . . 1 . . . . . 304 ILE CD1 . 51922 1
65 . 1 . 1 237 237 ILE HD11 H 1 0.697 . . 1 . . . . . 312 ILE HD11 . 51922 1
66 . 1 . 1 237 237 ILE HD12 H 1 0.697 . . 1 . . . . . 312 ILE HD12 . 51922 1
67 . 1 . 1 237 237 ILE HD13 H 1 0.697 . . 1 . . . . . 312 ILE HD13 . 51922 1
68 . 1 . 1 237 237 ILE CD1 C 13 13.060 . . 1 . . . . . 312 ILE CD1 . 51922 1
69 . 1 . 1 271 271 ILE HD11 H 1 0.800 . . 1 . . . . . 346 ILE HD11 . 51922 1
70 . 1 . 1 271 271 ILE HD12 H 1 0.800 . . 1 . . . . . 346 ILE HD12 . 51922 1
71 . 1 . 1 271 271 ILE HD13 H 1 0.800 . . 1 . . . . . 346 ILE HD13 . 51922 1
72 . 1 . 1 271 271 ILE CD1 C 13 12.451 . . 1 . . . . . 346 ILE CD1 . 51922 1
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