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 53032
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assignments for TS-B1AR-carvedilol'
_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-15N TROSY' . . . 53032 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 . . 53032 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 21 21 VAL H H 1 8.193 . . . . . . . . 51 VAL H . 53032 1
2 . 1 . 1 21 21 VAL N N 15 120.356 . . . . . . . . 51 VAL N . 53032 1
3 . 1 . 1 22 22 VAL H H 1 8.126 . . . . . . . . 52 VAL H . 53032 1
4 . 1 . 1 22 22 VAL N N 15 119.699 . . . . . . . . 52 VAL N . 53032 1
5 . 1 . 1 26 26 VAL H H 1 9.001 . . . . . . . . 56 VAL H . 53032 1
6 . 1 . 1 26 26 VAL N N 15 120.089 . . . . . . . . 56 VAL N . 53032 1
7 . 1 . 1 30 30 VAL H H 1 8.617 . . . . . . . . 60 VAL H . 53032 1
8 . 1 . 1 30 30 VAL N N 15 121.23 . . . . . . . . 60 VAL N . 53032 1
9 . 1 . 1 32 32 VAL H H 1 7.788 . . . . . . . . 62 VAL H . 53032 1
10 . 1 . 1 32 32 VAL N N 15 118.979 . . . . . . . . 62 VAL N . 53032 1
11 . 1 . 1 59 59 VAL H H 1 8.229 . . . . . . . . 89 VAL H . 53032 1
12 . 1 . 1 59 59 VAL N N 15 120.043 . . . . . . . . 89 VAL N . 53032 1
13 . 1 . 1 60 60 VAL H H 1 8.086 . . . . . . . . 90 VAL H . 53032 1
14 . 1 . 1 60 60 VAL N N 15 123.172 . . . . . . . . 90 VAL N . 53032 1
15 . 1 . 1 64 64 VAL H H 1 7.665 . . . . . . . . 94 VAL H . 53032 1
16 . 1 . 1 64 64 VAL N N 15 119.104 . . . . . . . . 94 VAL N . 53032 1
17 . 1 . 1 65 65 VAL H H 1 9.595 . . . . . . . . 95 VAL H . 53032 1
18 . 1 . 1 65 65 VAL N N 15 121.551 . . . . . . . . 95 VAL N . 53032 1
19 . 1 . 1 72 72 VAL H H 1 7.902 . . . . . . . . 102 VAL H . 53032 1
20 . 1 . 1 72 72 VAL N N 15 119.855 . . . . . . . . 102 VAL N . 53032 1
21 . 1 . 1 73 73 VAL H H 1 8.312 . . . . . . . . 103 VAL H . 53032 1
22 . 1 . 1 73 73 VAL N N 15 116.186 . . . . . . . . 103 VAL N . 53032 1
23 . 1 . 1 92 92 VAL H H 1 7.538 . . . . . . . . 122 VAL H . 53032 1
24 . 1 . 1 92 92 VAL N N 15 119.309 . . . . . . . . 122 VAL N . 53032 1
25 . 1 . 1 95 95 VAL H H 1 7.536 . . . . . . . . 125 VAL H . 53032 1
26 . 1 . 1 95 95 VAL N N 15 122.044 . . . . . . . . 125 VAL N . 53032 1
27 . 1 . 1 99 99 VAL H H 1 7.962 . . . . . . . . 129 VAL H . 53032 1
28 . 1 . 1 99 99 VAL N N 15 122.171 . . . . . . . . 129 VAL N . 53032 1
29 . 1 . 1 104 104 VAL H H 1 7.691 . . . . . . . . 134 VAL H . 53032 1
30 . 1 . 1 104 104 VAL N N 15 119.428 . . . . . . . . 134 VAL N . 53032 1
31 . 1 . 1 130 130 VAL H H 1 7.736 . . . . . . . . 160 VAL H . 53032 1
32 . 1 . 1 130 130 VAL N N 15 120.828 . . . . . . . . 160 VAL N . 53032 1
33 . 1 . 1 135 135 VAL H H 1 8.553 . . . . . . . . 165 VAL H . 53032 1
34 . 1 . 1 135 135 VAL N N 15 122.895 . . . . . . . . 165 VAL N . 53032 1
35 . 1 . 1 142 142 VAL H H 1 8.218 . . . . . . . . 172 VAL H . 53032 1
36 . 1 . 1 142 142 VAL N N 15 108.119 . . . . . . . . 172 VAL N . 53032 1
37 . 1 . 1 172 172 VAL H H 1 7.91 . . . . . . . . 202 VAL H . 53032 1
38 . 1 . 1 172 172 VAL N N 15 125.61 . . . . . . . . 202 VAL N . 53032 1
39 . 1 . 1 196 196 VAL H H 1 8.929 . . . . . . . . 226 VAL H . 53032 1
40 . 1 . 1 196 196 VAL N N 15 119.151 . . . . . . . . 226 VAL N . 53032 1
41 . 1 . 1 200 200 VAL H H 1 8.793 . . . . . . . . 230 VAL H . 53032 1
42 . 1 . 1 200 200 VAL N N 15 122.543 . . . . . . . . 230 VAL N . 53032 1
43 . 1 . 1 222 222 VAL H H 1 7.882 . . . . . . . . 280 VAL H . 53032 1
44 . 1 . 1 222 222 VAL N N 15 119.261 . . . . . . . . 280 VAL N . 53032 1
45 . 1 . 1 240 240 VAL H H 1 9.298 . . . . . . . . 298 VAL H . 53032 1
46 . 1 . 1 240 240 VAL N N 15 122.845 . . . . . . . . 298 VAL N . 53032 1
47 . 1 . 1 251 251 VAL H H 1 8.335 . . . . . . . . 309 VAL H . 53032 1
48 . 1 . 1 251 251 VAL N N 15 118.181 . . . . . . . . 309 VAL N . 53032 1
49 . 1 . 1 254 254 VAL H H 1 8.08 . . . . . . . . 312 VAL H . 53032 1
50 . 1 . 1 254 254 VAL N N 15 121.921 . . . . . . . . 312 VAL N . 53032 1
51 . 1 . 1 256 256 VAL H H 1 7.261 . . . . . . . . 314 VAL H . 53032 1
52 . 1 . 1 256 256 VAL N N 15 115.959 . . . . . . . . 314 VAL N . 53032 1
53 . 1 . 1 262 262 VAL H H 1 8.613 . . . . . . . . 320 VAL H . 53032 1
54 . 1 . 1 262 262 VAL N N 15 118.866 . . . . . . . . 320 VAL N . 53032 1
55 . 1 . 1 268 268 VAL H H 1 8.086 . . . . . . . . 326 VAL H . 53032 1
56 . 1 . 1 268 268 VAL N N 15 118.535 . . . . . . . . 326 VAL N . 53032 1
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