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 25440
_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-1H TOCSY' . . . 25440 1
2 '2D 1H-1H NOESY' . . . 25440 1
3 '2D 113Cd-113Cd COSY' . . . 25440 1
4 '2D 113Cd-1H HSQC NOESY' . . . 25440 1
6 '2D 1H-13C HSQC aliphatic (natural abundance)' . . . 25440 1
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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 1 106 106 CYS HA H 1 4.483 0.020 . 1 . . . . 104 CYS HA . 25440 1
2 . 1 1 106 106 CYS HB2 H 1 3.337 0.020 . 1 . . . . 104 CYS HB2 . 25440 1
3 . 1 1 106 106 CYS HB3 H 1 3.134 0.020 . 1 . . . . 104 CYS HB3 . 25440 1
4 . 1 1 107 107 CYS HA H 1 4.795 0.020 . 1 . . . . 105 CYS HA . 25440 1
5 . 1 1 107 107 CYS HB2 H 1 2.765 0.020 . 2 . . . . 105 CYS HB2 . 25440 1
6 . 1 1 107 107 CYS HB3 H 1 2.861 0.020 . 2 . . . . 105 CYS HB3 . 25440 1
7 . 1 1 110 110 CYS HA H 1 4.139 0.020 . 1 . . . . 108 CYS HA . 25440 1
8 . 1 1 110 110 CYS HB2 H 1 3.086 0.020 . 1 . . . . 108 CYS HB2 . 25440 1
9 . 1 1 110 110 CYS HB3 H 1 2.651 0.020 . 1 . . . . 108 CYS HB3 . 25440 1
10 . 1 1 122 122 CYS HA H 1 4.190 0.020 . 1 . . . . 120 CYS HA . 25440 1
11 . 1 1 122 122 CYS HB2 H 1 3.310 0.020 . 1 . . . . 120 CYS HB2 . 25440 1
12 . 1 1 122 122 CYS HB3 H 1 3.170 0.020 . 1 . . . . 120 CYS HB3 . 25440 1
13 . 1 1 124 124 CYS HA H 1 4.207 0.020 . 1 . . . . 122 CYS HA . 25440 1
14 . 1 1 124 124 CYS HB2 H 1 3.707 0.020 . 1 . . . . 122 CYS HB2 . 25440 1
15 . 1 1 124 124 CYS HB3 H 1 2.982 0.020 . 1 . . . . 122 CYS HB3 . 25440 1
16 . 1 1 147 147 CYS HA H 1 4.936 0.020 . 1 . . . . 145 CYS HA . 25440 1
17 . 1 1 147 147 CYS HB2 H 1 3.478 0.020 . 1 . . . . 145 CYS HB2 . 25440 1
18 . 1 1 147 147 CYS HB3 H 1 3.084 0.020 . 1 . . . . 145 CYS HB3 . 25440 1
19 . 1 1 150 150 CYS HA H 1 4.797 0.020 . 1 . . . . 148 CYS HA . 25440 1
20 . 1 1 150 150 CYS HB2 H 1 3.236 0.020 . 1 . . . . 148 CYS HB2 . 25440 1
21 . 1 1 150 150 CYS HB3 H 1 2.638 0.020 . 1 . . . . 148 CYS HB3 . 25440 1
22 . 1 1 152 152 CYS HA H 1 3.897 0.020 . 1 . . . . 150 CYS HA . 25440 1
23 . 1 1 152 152 CYS HB2 H 1 3.403 0.020 . 1 . . . . 150 CYS HB2 . 25440 1
24 . 1 1 152 152 CYS HB3 H 1 3.167 0.020 . 1 . . . . 150 CYS HB3 . 25440 1
25 . 1 1 155 155 CYS HA H 1 4.880 0.020 . 1 . . . . 153 CYS HA . 25440 1
26 . 1 1 155 155 CYS HB2 H 1 3.506 0.020 . 1 . . . . 153 CYS HB2 . 25440 1
27 . 1 1 155 155 CYS HB3 H 1 2.338 0.020 . 1 . . . . 153 CYS HB3 . 25440 1
28 . 2 2 1 1 CD Cd Cd 113 33.826 0.100 . 1 . . . . 1000 CD Cd . 25440 1
29 . 3 2 1 1 CD Cd Cd 113 41.727 0.100 . 1 . . . . 1001 CD Cd . 25440 1
30 . 4 2 1 1 CD Cd Cd 113 58.415 0.100 . 1 . . . . 1002 CD Cd . 25440 1
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save_