Content for NMR-STAR saveframe, assigned_chemical_shifts_8
save_assigned_chemical_shifts_8
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_8
_Assigned_chem_shift_list.Entry_ID 52581
_Assigned_chem_shift_list.ID 8
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for HBpep GY23 at pH 7.5'
_Assigned_chem_shift_list.Sample_condition_list_ID 8
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_8
_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
8 '2D 1H-1H NOESY' . . . 52581 8
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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 . . 52581 8
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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 5 5 TYR H H 1 8.186 0.020 . 1 . . . . . 5 TYR H . 52581 8
2 . 1 . 1 5 5 TYR HA H 1 4.526 0.020 . 1 . . . . . 5 TYR HA . 52581 8
3 . 1 . 1 5 5 TYR HB2 H 1 2.853 0.020 . 2 . . . . . 5 TYR HB2 . 52581 8
4 . 1 . 1 5 5 TYR HB3 H 1 3.053 0.020 . 2 . . . . . 5 TYR HB3 . 52581 8
5 . 1 . 1 5 5 TYR HD1 H 1 7.019 0.020 . 3 . . . . . 5 TYR HD1 . 52581 8
6 . 1 . 1 5 5 TYR HD2 H 1 7.010 0.020 . 3 . . . . . 5 TYR HD2 . 52581 8
7 . 1 . 1 6 6 GLY H H 1 8.197 0.020 . 1 . . . . . 6 GLY H . 52581 8
8 . 1 . 1 6 6 GLY HA2 H 1 3.831 0.020 . 1 . . . . . 6 GLY HA2 . 52581 8
9 . 1 . 1 6 6 GLY HA3 H 1 3.831 0.020 . 1 . . . . . 6 GLY HA3 . 52581 8
10 . 1 . 1 7 7 ALA H H 1 8.185 0.020 . 1 . . . . . 7 ALA H . 52581 8
11 . 1 . 1 7 7 ALA HA H 1 4.202 0.020 . 1 . . . . . 7 ALA HA . 52581 8
12 . 1 . 1 7 7 ALA HB1 H 1 1.352 0.020 . 1 . . . . . 7 ALA HB . 52581 8
13 . 1 . 1 7 7 ALA HB2 H 1 1.352 0.020 . 1 . . . . . 7 ALA HB . 52581 8
14 . 1 . 1 7 7 ALA HB3 H 1 1.352 0.020 . 1 . . . . . 7 ALA HB . 52581 8
15 . 1 . 1 8 8 GLY H H 1 8.364 0.020 . 1 . . . . . 8 GLY H . 52581 8
16 . 1 . 1 8 8 GLY HA2 H 1 3.822 0.020 . 1 . . . . . 8 GLY HA2 . 52581 8
17 . 1 . 1 8 8 GLY HA3 H 1 3.822 0.020 . 1 . . . . . 8 GLY HA3 . 52581 8
18 . 1 . 1 9 9 PHE H H 1 8.135 0.020 . 1 . . . . . 9 PHE H . 52581 8
19 . 1 . 1 9 9 PHE HA H 1 4.549 0.020 . 1 . . . . . 9 PHE HA . 52581 8
20 . 1 . 1 9 9 PHE HB2 H 1 3.055 0.020 . 2 . . . . . 9 PHE HB2 . 52581 8
21 . 1 . 1 9 9 PHE HB3 H 1 2.986 0.020 . 2 . . . . . 9 PHE HB3 . 52581 8
22 . 1 . 1 9 9 PHE HD1 H 1 7.156 0.020 . 1 . . . . . 9 PHE HD1 . 52581 8
23 . 1 . 1 9 9 PHE HD2 H 1 7.156 0.020 . 1 . . . . . 9 PHE HD2 . 52581 8
24 . 1 . 1 9 9 PHE HE1 H 1 7.249 0.020 . 1 . . . . . 9 PHE HE1 . 52581 8
25 . 1 . 1 9 9 PHE HE2 H 1 7.249 0.020 . 1 . . . . . 9 PHE HE2 . 52581 8
26 . 1 . 1 11 11 GLY H H 1 7.616 0.020 . 1 . . . . . 11 GLY H . 52581 8
27 . 1 . 1 11 11 GLY HA2 H 1 3.809 0.020 . 1 . . . . . 11 GLY HA2 . 52581 8
28 . 1 . 1 11 11 GLY HA3 H 1 3.809 0.020 . 1 . . . . . 11 GLY HA3 . 52581 8
29 . 1 . 1 12 12 HIS HA H 1 4.575 0.020 . 1 . . . . . 12 HIS HA . 52581 8
30 . 1 . 1 12 12 HIS HB2 H 1 3.124 0.020 . 2 . . . . . 12 HIS HB2 . 52581 8
31 . 1 . 1 12 12 HIS HB3 H 1 3.033 0.020 . 2 . . . . . 12 HIS HB3 . 52581 8
32 . 1 . 1 12 12 HIS HD2 H 1 6.988 0.020 . 1 . . . . . 12 HIS HD2 . 52581 8
33 . 1 . 1 13 13 GLY H H 1 8.357 0.020 . 1 . . . . . 13 GLY H . 52581 8
34 . 1 . 1 13 13 GLY HA2 H 1 3.873 0.020 . 1 . . . . . 13 GLY HA2 . 52581 8
35 . 1 . 1 13 13 GLY HA3 H 1 3.873 0.020 . 1 . . . . . 13 GLY HA3 . 52581 8
36 . 1 . 1 14 14 LEU H H 1 8.186 0.020 . 1 . . . . . 14 LEU H . 52581 8
37 . 1 . 1 14 14 LEU HA H 1 4.267 0.020 . 1 . . . . . 14 LEU HA . 52581 8
38 . 1 . 1 14 14 LEU HB2 H 1 1.491 0.020 . 1 . . . . . 14 LEU HB2 . 52581 8
39 . 1 . 1 14 14 LEU HB3 H 1 1.491 0.020 . 1 . . . . . 14 LEU HB3 . 52581 8
40 . 1 . 1 14 14 LEU HG H 1 1.420 0.020 . 1 . . . . . 14 LEU HG . 52581 8
41 . 1 . 1 15 15 HIS HB2 H 1 3.092 0.020 . 2 . . . . . 15 HIS HB2 . 52581 8
42 . 1 . 1 15 15 HIS HB3 H 1 2.995 0.020 . 2 . . . . . 15 HIS HB3 . 52581 8
43 . 1 . 1 15 15 HIS HD2 H 1 6.950 0.020 . 1 . . . . . 15 HIS HD2 . 52581 8
44 . 1 . 1 16 16 GLY H H 1 8.217 0.020 . 1 . . . . . 16 GLY H . 52581 8
45 . 1 . 1 16 16 GLY HA2 H 1 3.861 0.020 . 1 . . . . . 16 GLY HA2 . 52581 8
46 . 1 . 1 16 16 GLY HA3 H 1 3.861 0.020 . 1 . . . . . 16 GLY HA3 . 52581 8
47 . 1 . 1 17 17 PHE H H 1 8.135 0.020 . 1 . . . . . 17 PHE H . 52581 8
48 . 1 . 1 17 17 PHE HA H 1 4.557 0.020 . 1 . . . . . 17 PHE HA . 52581 8
49 . 1 . 1 17 17 PHE HB2 H 1 3.072 0.020 . 2 . . . . . 17 PHE HB2 . 52581 8
50 . 1 . 1 17 17 PHE HB3 H 1 2.975 0.020 . 2 . . . . . 17 PHE HB3 . 52581 8
51 . 1 . 1 17 17 PHE HD1 H 1 7.190 0.020 . 1 . . . . . 17 PHE HD1 . 52581 8
52 . 1 . 1 17 17 PHE HD2 H 1 7.190 0.020 . 1 . . . . . 17 PHE HD2 . 52581 8
53 . 1 . 1 17 17 PHE HE1 H 1 7.276 0.020 . 1 . . . . . 17 PHE HE1 . 52581 8
54 . 1 . 1 17 17 PHE HE2 H 1 7.276 0.020 . 1 . . . . . 17 PHE HE2 . 52581 8
55 . 1 . 1 19 19 GLY H H 1 7.757 0.020 . 1 . . . . . 19 GLY H . 52581 8
56 . 1 . 1 19 19 GLY HA2 H 1 3.850 0.020 . 1 . . . . . 19 GLY HA2 . 52581 8
57 . 1 . 1 19 19 GLY HA3 H 1 3.850 0.020 . 1 . . . . . 19 GLY HA3 . 52581 8
58 . 1 . 1 20 20 HIS HA H 1 4.562 0.020 . 1 . . . . . 20 HIS HA . 52581 8
59 . 1 . 1 20 20 HIS HB2 H 1 3.107 0.020 . 2 . . . . . 20 HIS HB2 . 52581 8
60 . 1 . 1 20 20 HIS HB3 H 1 3.018 0.020 . 2 . . . . . 20 HIS HB3 . 52581 8
61 . 1 . 1 20 20 HIS HD2 H 1 6.970 0.020 . 1 . . . . . 20 HIS HD2 . 52581 8
62 . 1 . 1 21 21 GLY H H 1 8.348 0.020 . 1 . . . . . 21 GLY H . 52581 8
63 . 1 . 1 21 21 GLY HA2 H 1 3.852 0.020 . 1 . . . . . 21 GLY HA2 . 52581 8
64 . 1 . 1 21 21 GLY HA3 H 1 3.852 0.020 . 1 . . . . . 21 GLY HA3 . 52581 8
65 . 1 . 1 22 22 LEU H H 1 8.105 0.020 . 1 . . . . . 22 LEU H . 52581 8
66 . 1 . 1 22 22 LEU HA H 1 4.264 0.020 . 1 . . . . . 22 LEU HA . 52581 8
67 . 1 . 1 22 22 LEU HB2 H 1 1.443 0.020 . 1 . . . . . 22 LEU HB2 . 52581 8
68 . 1 . 1 22 22 LEU HB3 H 1 1.443 0.020 . 1 . . . . . 22 LEU HB3 . 52581 8
69 . 1 . 1 22 22 LEU HG H 1 1.402 0.020 . 1 . . . . . 22 LEU HG . 52581 8
70 . 1 . 1 23 23 TYR H H 1 7.588 0.020 . 1 . . . . . 23 TYR H . 52581 8
71 . 1 . 1 23 23 TYR HA H 1 4.378 0.020 . 1 . . . . . 23 TYR HA . 52581 8
72 . 1 . 1 23 23 TYR HB2 H 1 3.075 0.020 . 2 . . . . . 23 TYR HB2 . 52581 8
73 . 1 . 1 23 23 TYR HB3 H 1 2.837 0.020 . 2 . . . . . 23 TYR HB3 . 52581 8
74 . 1 . 1 23 23 TYR HD1 H 1 7.047 0.020 . 3 . . . . . 23 TYR HD1 . 52581 8
75 . 1 . 1 23 23 TYR HD2 H 1 7.041 0.020 . 3 . . . . . 23 TYR HD2 . 52581 8
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