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 51065
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assignment of S100A8 in Calprotectin'
_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 .
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-15N HSQC' . . . 51065 1
2 '2D 1H-15N HSQC' . . . 51065 1
3 '2D 1H-15N HSQC' . . . 51065 1
4 '2D 1H-15N HSQC' . . . 51065 1
5 '2D 1H-15N TROSY' . . . 51065 1
6 '2D H(N)CACB' . . . 51065 1
7 '2D H(N)CO' . . . 51065 1
8 '2D H(N)CACB' . . . 51065 1
9 '2D H(N)CO' . . . 51065 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 . . 51065 1
2 $software_2 . . 51065 1
4 $software_4 . . 51065 1
5 $software_5 . . 51065 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 2 2 LEU C C 13 175.497 . . . . . . . . 2 L C . 51065 1
2 . 1 . 1 2 2 LEU CA C 13 51.597 . . . . . . . . 2 L CA . 51065 1
3 . 1 . 1 2 2 LEU CB C 13 39.969 . . . . . . . . 2 L CB . 51065 1
4 . 1 . 1 3 3 THR H H 1 9.924 . . . . . . . . 3 T H . 51065 1
5 . 1 . 1 3 3 THR C C 13 172.447 . . . . . . . . 3 T C . 51065 1
6 . 1 . 1 3 3 THR CA C 13 58.156 . . . . . . . . 3 T CA . 51065 1
7 . 1 . 1 3 3 THR CB C 13 67.522 . . . . . . . . 3 T CB . 51065 1
8 . 1 . 1 3 3 THR N N 15 114.646 . . . . . . . . 3 T N . 51065 1
9 . 1 . 1 4 4 GLU H H 1 8.838 . . . . . . . . 4 E H . 51065 1
10 . 1 . 1 4 4 GLU C C 13 177.102 . . . . . . . . 4 E C . 51065 1
11 . 1 . 1 4 4 GLU CA C 13 56.56 . . . . . . . . 4 E CA . 51065 1
12 . 1 . 1 4 4 GLU CB C 13 25.377 . . . . . . . . 4 E CB . 51065 1
13 . 1 . 1 4 4 GLU N N 15 119.132 . . . . . . . . 4 E N . 51065 1
14 . 1 . 1 5 5 LEU H H 1 8.482 . . . . . . . . 5 L H . 51065 1
15 . 1 . 1 5 5 LEU C C 13 175.436 . . . . . . . . 5 L C . 51065 1
16 . 1 . 1 5 5 LEU CA C 13 54.819 . . . . . . . . 5 L CA . 51065 1
17 . 1 . 1 5 5 LEU CB C 13 38.083 . . . . . . . . 5 L CB . 51065 1
18 . 1 . 1 5 5 LEU N N 15 120.885 . . . . . . . . 5 L N . 51065 1
19 . 1 . 1 6 6 GLU H H 1 7.698 . . . . . . . . 6 E H . 51065 1
20 . 1 . 1 6 6 GLU C C 13 176.816 . . . . . . . . 6 E C . 51065 1
21 . 1 . 1 6 6 GLU CA C 13 56.037 . . . . . . . . 6 E CA . 51065 1
22 . 1 . 1 6 6 GLU CB C 13 27.576 . . . . . . . . 6 E CB . 51065 1
23 . 1 . 1 6 6 GLU N N 15 119.073 . . . . . . . . 6 E N . 51065 1
24 . 1 . 1 7 7 LYS H H 1 8.768 . . . . . . . . 7 K H . 51065 1
25 . 1 . 1 7 7 LYS C C 13 177.29 . . . . . . . . 7 K C . 51065 1
26 . 1 . 1 7 7 LYS CA C 13 57.108 . . . . . . . . 7 K CA . 51065 1
27 . 1 . 1 7 7 LYS CB C 13 29.163 . . . . . . . . 7 K CB . 51065 1
28 . 1 . 1 7 7 LYS N N 15 117.76 . . . . . . . . 7 K N . 51065 1
29 . 1 . 1 8 8 ALA H H 1 7.752 . . . . . . . . 8 A H . 51065 1
30 . 1 . 1 8 8 ALA CA C 13 52.152 . . . . . . . . 8 A CA . 51065 1
31 . 1 . 1 8 8 ALA CB C 13 14.848 . . . . . . . . 8 A CB . 51065 1
32 . 1 . 1 8 8 ALA N N 15 122.083 . . . . . . . . 8 A N . 51065 1
33 . 1 . 1 90 90 SER C C 13 172.947 . . . . . . . . 90 S C . 51065 1
34 . 1 . 1 90 90 SER CA C 13 55.481 . . . . . . . . 90 S CA . 51065 1
35 . 1 . 1 90 90 SER CB C 13 60.343 . . . . . . . . 90 S CB . 51065 1
36 . 1 . 1 91 91 HIS H H 1 8.182 . . . . . . . . 91 H H . 51065 1
37 . 1 . 1 91 91 HIS C C 13 171.966 . . . . . . . . 91 H C . 51065 1
38 . 1 . 1 91 91 HIS CA C 13 53.657 . . . . . . . . 91 H CA . 51065 1
39 . 1 . 1 91 91 HIS CB C 13 26.901 . . . . . . . . 91 H CB . 51065 1
40 . 1 . 1 91 91 HIS N N 15 121.024 . . . . . . . . 91 H N . 51065 1
41 . 1 . 1 92 92 LYS H H 1 8.101 . . . . . . . . 92 K H . 51065 1
42 . 1 . 1 92 92 LYS C C 13 172.621 . . . . . . . . 92 K C . 51065 1
43 . 1 . 1 92 92 LYS CA C 13 52.88 . . . . . . . . 92 K CA . 51065 1
44 . 1 . 1 92 92 LYS CB C 13 29.614 . . . . . . . . 92 K CB . 51065 1
45 . 1 . 1 92 92 LYS N N 15 123.353 . . . . . . . . 92 K N . 51065 1
46 . 1 . 1 93 93 GLU H H 1 7.984 . . . . . . . . 93 E H . 51065 1
47 . 1 . 1 93 93 GLU CA C 13 54.837 . . . . . . . . 93 E CA . 51065 1
48 . 1 . 1 93 93 GLU CB C 13 27.522 . . . . . . . . 93 E CB . 51065 1
49 . 1 . 1 93 93 GLU N N 15 127.234 . . . . . . . . 93 E N . 51065 1
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save_