Content for NMR-STAR saveframe, assigned_chemical_shifts_3
save_assigned_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 53757
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Name 'Staphylococcus aureus protein A, immunoglobulin-binding B domain, L20A in DMSO solution'
_Assigned_chem_shift_list.Sample_condition_list_ID 3
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_3
_Assigned_chem_shift_list.Chem_shift_reference_ID 3
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_3
_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
15 '2D 1H-15N HSQC' . . . 53757 3
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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 . . 53757 3
2 $software_2 . . 53757 3
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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 . 2 . 1 2 2 SER H H 1 8.654 . . 1 . . . . . 2 S H . 53757 3
2 . 2 . 1 2 2 SER N N 15 115.666 . . 1 . . . . . 2 S N . 53757 3
3 . 2 . 1 3 3 HIS H H 1 8.502 . . 1 . . . . . 3 H H . 53757 3
4 . 2 . 1 3 3 HIS N N 15 118.180 . . 1 . . . . . 3 H N . 53757 3
5 . 2 . 1 5 5 ALA H H 1 8.211 . . 1 . . . . . 5 A H . 53757 3
6 . 2 . 1 5 5 ALA N N 15 121.755 . . 1 . . . . . 5 A N . 53757 3
7 . 2 . 1 6 6 ASP H H 1 8.291 . . 1 . . . . . 6 D H . 53757 3
8 . 2 . 1 6 6 ASP N N 15 116.317 . . 1 . . . . . 6 D N . 53757 3
9 . 2 . 1 8 8 LYS H H 1 7.997 . . 1 . . . . . 8 K H . 53757 3
10 . 2 . 1 8 8 LYS N N 15 118.065 . . 1 . . . . . 8 K N . 53757 3
11 . 2 . 1 12 12 GLU H H 1 8.100 . . 1 . . . . . 12 E H . 53757 3
12 . 2 . 1 12 12 GLU N N 15 117.228 . . 1 . . . . . 12 E N . 53757 3
13 . 2 . 1 16 16 ALA H H 1 8.049 . . 1 . . . . . 16 A H . 53757 3
14 . 2 . 1 16 16 ALA N N 15 121.280 . . 1 . . . . . 16 A N . 53757 3
15 . 2 . 1 17 17 PHE H H 1 8.034 . . 1 . . . . . 17 F H . 53757 3
16 . 2 . 1 17 17 PHE N N 15 115.114 . . 1 . . . . . 17 F N . 53757 3
17 . 2 . 1 18 18 TYR H H 1 7.897 . . 1 . . . . . 18 Y H . 53757 3
18 . 2 . 1 18 18 TYR N N 15 116.294 . . 1 . . . . . 18 Y N . 53757 3
19 . 2 . 1 19 19 GLU H H 1 7.979 . . 1 . . . . . 19 E H . 53757 3
20 . 2 . 1 19 19 GLU N N 15 117.407 . . 1 . . . . . 19 E N . 53757 3
21 . 2 . 1 20 20 ILE H H 1 7.828 . . 1 . . . . . 20 I H . 53757 3
22 . 2 . 1 20 20 ILE N N 15 117.286 . . 1 . . . . . 20 I N . 53757 3
23 . 2 . 1 21 21 LEU H H 1 8.023 . . 1 . . . . . 21 L H . 53757 3
24 . 2 . 1 21 21 LEU N N 15 122.033 . . 1 . . . . . 21 L N . 53757 3
25 . 2 . 1 23 23 ALA H H 1 8.231 . . 1 . . . . . 23 A H . 53757 3
26 . 2 . 1 23 23 ALA N N 15 122.735 . . 1 . . . . . 23 A N . 53757 3
27 . 2 . 1 25 25 ASN H H 1 8.172 . . 1 . . . . . 25 N H . 53757 3
28 . 2 . 1 25 25 ASN N N 15 115.857 . . 1 . . . . . 25 N N . 53757 3
29 . 2 . 1 26 26 LEU H H 1 7.918 . . 1 . . . . . 26 L H . 53757 3
30 . 2 . 1 26 26 LEU N N 15 118.977 . . 1 . . . . . 26 L N . 53757 3
31 . 2 . 1 29 29 GLU H H 1 7.880 . . 1 . . . . . 29 E H . 53757 3
32 . 2 . 1 29 29 GLU N N 15 116.715 . . 1 . . . . . 29 E N . 53757 3
33 . 2 . 1 33 33 GLY H H 1 8.191 . . 1 . . . . . 33 G H . 53757 3
34 . 2 . 1 33 33 GLY N N 15 106.484 . . 1 . . . . . 33 G N . 53757 3
35 . 2 . 1 36 36 GLN H H 1 8.097 . . 1 . . . . . 36 Q H . 53757 3
36 . 2 . 1 36 36 GLN N N 15 121.015 . . 1 . . . . . 36 Q N . 53757 3
37 . 2 . 1 37 37 SER H H 1 7.894 . . 1 . . . . . 37 S H . 53757 3
38 . 2 . 1 37 37 SER N N 15 113.859 . . 1 . . . . . 37 S N . 53757 3
39 . 2 . 1 38 38 LEU H H 1 7.999 . . 1 . . . . . 38 L H . 53757 3
40 . 2 . 1 38 38 LEU N N 15 120.745 . . 1 . . . . . 38 L N . 53757 3
41 . 2 . 1 39 39 LYS H H 1 7.895 . . 1 . . . . . 39 K H . 53757 3
42 . 2 . 1 39 39 LYS N N 15 117.333 . . 1 . . . . . 39 K N . 53757 3
43 . 2 . 1 43 43 SER H H 1 8.052 . . 1 . . . . . 43 S H . 53757 3
44 . 2 . 1 43 43 SER N N 15 112.957 . . 1 . . . . . 43 S N . 53757 3
45 . 2 . 1 44 44 GLN H H 1 7.951 . . 1 . . . . . 44 Q H . 53757 3
46 . 2 . 1 44 44 GLN N N 15 118.979 . . 1 . . . . . 44 Q N . 53757 3
47 . 2 . 1 45 45 SER H H 1 7.958 . . 1 . . . . . 45 S H . 53757 3
48 . 2 . 1 45 45 SER N N 15 113.839 . . 1 . . . . . 45 S N . 53757 3
49 . 2 . 1 46 46 ALA H H 1 8.112 . . 1 . . . . . 46 A H . 53757 3
50 . 2 . 1 46 46 ALA N N 15 122.556 . . 1 . . . . . 46 A N . 53757 3
51 . 2 . 1 48 48 LEU H H 1 8.053 . . 1 . . . . . 48 L H . 53757 3
52 . 2 . 1 48 48 LEU N N 15 119.915 . . 1 . . . . . 48 L N . 53757 3
53 . 2 . 1 50 50 ALA H H 1 7.807 . . 1 . . . . . 50 A H . 53757 3
54 . 2 . 1 50 50 ALA N N 15 119.772 . . 1 . . . . . 50 A N . 53757 3
55 . 2 . 1 52 52 ALA H H 1 7.919 . . 1 . . . . . 52 A H . 53757 3
56 . 2 . 1 52 52 ALA N N 15 120.397 . . 1 . . . . . 52 A N . 53757 3
57 . 2 . 1 53 53 LYS H H 1 7.869 . . 1 . . . . . 53 K H . 53757 3
58 . 2 . 1 53 53 LYS N N 15 116.294 . . 1 . . . . . 53 K N . 53757 3
59 . 2 . 1 54 54 LYS H H 1 7.805 . . 1 . . . . . 54 K H . 53757 3
60 . 2 . 1 54 54 LYS N N 15 117.429 . . 1 . . . . . 54 K N . 53757 3
61 . 2 . 1 55 55 LEU H H 1 7.847 . . 1 . . . . . 55 L H . 53757 3
62 . 2 . 1 55 55 LEU N N 15 118.113 . . 1 . . . . . 55 L N . 53757 3
63 . 2 . 1 56 56 ASN H H 1 7.963 . . 1 . . . . . 56 N H . 53757 3
64 . 2 . 1 56 56 ASN N N 15 116.122 . . 1 . . . . . 56 N N . 53757 3
65 . 2 . 1 58 58 ALA H H 1 7.868 . . 1 . . . . . 58 A H . 53757 3
66 . 2 . 1 58 58 ALA N N 15 119.562 . . 1 . . . . . 58 A N . 53757 3
67 . 2 . 1 60 60 ALA H H 1 7.927 . . 1 . . . . . 60 A H . 53757 3
68 . 2 . 1 60 60 ALA N N 15 121.532 . . 1 . . . . . 60 A N . 53757 3
69 . 2 . 1 62 62 LYS H H 1 8.128 . . 1 . . . . . 62 K H . 53757 3
70 . 2 . 1 62 62 LYS N N 15 116.803 . . 1 . . . . . 62 K N . 53757 3
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