Content for NMR-STAR saveframe, assigned_chemical_shifts_5
save_assigned_chemical_shifts_5
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_5
_Assigned_chem_shift_list.Entry_ID 52581
_Assigned_chem_shift_list.ID 5
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for HBpep GY23 at pH 6.5'
_Assigned_chem_shift_list.Sample_condition_list_ID 5
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_5
_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
5 '2D 1H-1H NOESY' . . . 52581 5
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 . . 52581 5
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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_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 3 3 GLY H H 1 8.547 0.020 . 1 . . . . . 3 GLY H . 52581 5
2 . 1 . 1 3 3 GLY HA2 H 1 3.884 0.020 . 1 . . . . . 3 GLY HA2 . 52581 5
3 . 1 . 1 3 3 GLY HA3 H 1 3.884 0.020 . 1 . . . . . 3 GLY HA3 . 52581 5
4 . 1 . 1 4 4 LEU H H 1 8.219 0.020 . 1 . . . . . 4 LEU H . 52581 5
5 . 1 . 1 4 4 LEU HA H 1 4.215 0.020 . 1 . . . . . 4 LEU HA . 52581 5
6 . 1 . 1 4 4 LEU HB2 H 1 1.391 0.020 . 1 . . . . . 4 LEU HB2 . 52581 5
7 . 1 . 1 4 4 LEU HB3 H 1 1.391 0.020 . 1 . . . . . 4 LEU HB3 . 52581 5
8 . 1 . 1 4 4 LEU HG H 1 1.297 0.020 . 1 . . . . . 4 LEU HG . 52581 5
9 . 1 . 1 4 4 LEU HD11 H 1 0.794 0.020 . 1 . . . . . 4 LEU HD1 . 52581 5
10 . 1 . 1 4 4 LEU HD12 H 1 0.794 0.020 . 1 . . . . . 4 LEU HD1 . 52581 5
11 . 1 . 1 4 4 LEU HD13 H 1 0.794 0.020 . 1 . . . . . 4 LEU HD1 . 52581 5
12 . 1 . 1 4 4 LEU HD21 H 1 0.794 0.020 . 1 . . . . . 4 LEU HD2 . 52581 5
13 . 1 . 1 4 4 LEU HD22 H 1 0.794 0.020 . 1 . . . . . 4 LEU HD2 . 52581 5
14 . 1 . 1 4 4 LEU HD23 H 1 0.794 0.020 . 1 . . . . . 4 LEU HD2 . 52581 5
15 . 1 . 1 5 5 TYR H H 1 8.220 0.020 . 1 . . . . . 5 TYR H . 52581 5
16 . 1 . 1 5 5 TYR HA H 1 4.532 0.020 . 1 . . . . . 5 TYR HA . 52581 5
17 . 1 . 1 5 5 TYR HB2 H 1 2.870 0.020 . 2 . . . . . 5 TYR HB2 . 52581 5
18 . 1 . 1 5 5 TYR HB3 H 1 3.049 0.020 . 2 . . . . . 5 TYR HB3 . 52581 5
19 . 1 . 1 5 5 TYR HD1 H 1 7.023 0.020 . 3 . . . . . 5 TYR HD1 . 52581 5
20 . 1 . 1 5 5 TYR HD2 H 1 7.014 0.020 . 3 . . . . . 5 TYR HD2 . 52581 5
21 . 1 . 1 6 6 GLY H H 1 8.229 0.020 . 1 . . . . . 6 GLY H . 52581 5
22 . 1 . 1 6 6 GLY HA2 H 1 3.826 0.020 . 1 . . . . . 6 GLY HA2 . 52581 5
23 . 1 . 1 6 6 GLY HA3 H 1 3.826 0.020 . 1 . . . . . 6 GLY HA3 . 52581 5
24 . 1 . 1 7 7 ALA H H 1 8.191 0.020 . 1 . . . . . 7 ALA H . 52581 5
25 . 1 . 1 7 7 ALA HA H 1 4.245 0.020 . 1 . . . . . 7 ALA HA . 52581 5
26 . 1 . 1 7 7 ALA HB1 H 1 1.346 0.020 . 1 . . . . . 7 ALA HB . 52581 5
27 . 1 . 1 7 7 ALA HB2 H 1 1.346 0.020 . 1 . . . . . 7 ALA HB . 52581 5
28 . 1 . 1 7 7 ALA HB3 H 1 1.346 0.020 . 1 . . . . . 7 ALA HB . 52581 5
29 . 1 . 1 8 8 GLY H H 1 8.380 0.020 . 1 . . . . . 8 GLY H . 52581 5
30 . 1 . 1 8 8 GLY HA2 H 1 3.863 0.020 . 1 . . . . . 8 GLY HA2 . 52581 5
31 . 1 . 1 8 8 GLY HA3 H 1 3.863 0.020 . 1 . . . . . 8 GLY HA3 . 52581 5
32 . 1 . 1 9 9 PHE H H 1 8.021 0.020 . 1 . . . . . 9 PHE H . 52581 5
33 . 1 . 1 9 9 PHE HA H 1 4.545 0.020 . 1 . . . . . 9 PHE HA . 52581 5
34 . 1 . 1 9 9 PHE HB2 H 1 2.982 0.020 . 2 . . . . . 9 PHE HB2 . 52581 5
35 . 1 . 1 9 9 PHE HB3 H 1 3.067 0.020 . 2 . . . . . 9 PHE HB3 . 52581 5
36 . 1 . 1 9 9 PHE HD1 H 1 7.163 0.020 . 1 . . . . . 9 PHE HD1 . 52581 5
37 . 1 . 1 9 9 PHE HD2 H 1 7.163 0.020 . 1 . . . . . 9 PHE HD2 . 52581 5
38 . 1 . 1 9 9 PHE HE1 H 1 7.257 0.020 . 1 . . . . . 9 PHE HE1 . 52581 5
39 . 1 . 1 9 9 PHE HE2 H 1 7.257 0.020 . 1 . . . . . 9 PHE HE2 . 52581 5
40 . 1 . 1 10 10 ALA H H 1 8.300 0.020 . 1 . . . . . 10 ALA H . 52581 5
41 . 1 . 1 10 10 ALA HA H 1 4.233 0.020 . 1 . . . . . 10 ALA HA . 52581 5
42 . 1 . 1 10 10 ALA HB1 H 1 1.287 0.020 . 1 . . . . . 10 ALA HB . 52581 5
43 . 1 . 1 10 10 ALA HB2 H 1 1.287 0.020 . 1 . . . . . 10 ALA HB . 52581 5
44 . 1 . 1 10 10 ALA HB3 H 1 1.287 0.020 . 1 . . . . . 10 ALA HB . 52581 5
45 . 1 . 1 11 11 GLY H H 1 7.732 0.020 . 1 . . . . . 11 GLY H . 52581 5
46 . 1 . 1 11 11 GLY HA2 H 1 3.825 0.020 . 1 . . . . . 11 GLY HA2 . 52581 5
47 . 1 . 1 11 11 GLY HA3 H 1 3.825 0.020 . 1 . . . . . 11 GLY HA3 . 52581 5
48 . 1 . 1 12 12 HIS H H 1 8.210 0.020 . 1 . . . . . 12 HIS H . 52581 5
49 . 1 . 1 12 12 HIS HA H 1 4.634 0.020 . 1 . . . . . 12 HIS HA . 52581 5
50 . 1 . 1 12 12 HIS HB2 H 1 3.080 0.020 . 2 . . . . . 12 HIS HB2 . 52581 5
51 . 1 . 1 12 12 HIS HB3 H 1 3.198 0.020 . 2 . . . . . 12 HIS HB3 . 52581 5
52 . 1 . 1 12 12 HIS HD2 H 1 7.118 0.020 . 1 . . . . . 12 HIS HD2 . 52581 5
53 . 1 . 1 13 13 GLY H H 1 8.489 0.020 . 1 . . . . . 13 GLY H . 52581 5
54 . 1 . 1 13 13 GLY HA2 H 1 3.886 0.020 . 1 . . . . . 13 GLY HA2 . 52581 5
55 . 1 . 1 13 13 GLY HA3 H 1 3.886 0.020 . 1 . . . . . 13 GLY HA3 . 52581 5
56 . 1 . 1 14 14 LEU H H 1 8.179 0.020 . 1 . . . . . 14 LEU H . 52581 5
57 . 1 . 1 14 14 LEU HA H 1 4.273 0.020 . 1 . . . . . 14 LEU HA . 52581 5
58 . 1 . 1 14 14 LEU HB2 H 1 1.510 0.020 . 1 . . . . . 14 LEU HB2 . 52581 5
59 . 1 . 1 14 14 LEU HB3 H 1 1.510 0.020 . 1 . . . . . 14 LEU HB3 . 52581 5
60 . 1 . 1 14 14 LEU HG H 1 1.438 0.020 . 1 . . . . . 14 LEU HG . 52581 5
61 . 1 . 1 14 14 LEU HD11 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD1 . 52581 5
62 . 1 . 1 14 14 LEU HD12 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD1 . 52581 5
63 . 1 . 1 14 14 LEU HD13 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD1 . 52581 5
64 . 1 . 1 14 14 LEU HD21 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD2 . 52581 5
65 . 1 . 1 14 14 LEU HD22 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD2 . 52581 5
66 . 1 . 1 14 14 LEU HD23 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD2 . 52581 5
67 . 1 . 1 15 15 HIS H H 1 8.430 0.020 . 1 . . . . . 15 HIS H . 52581 5
68 . 1 . 1 15 15 HIS HA H 1 4.624 0.020 . 1 . . . . . 15 HIS HA . 52581 5
69 . 1 . 1 15 15 HIS HB2 H 1 3.056 0.020 . 2 . . . . . 15 HIS HB2 . 52581 5
70 . 1 . 1 15 15 HIS HB3 H 1 3.189 0.020 . 2 . . . . . 15 HIS HB3 . 52581 5
71 . 1 . 1 15 15 HIS HD2 H 1 7.104 0.020 . 1 . . . . . 15 HIS HD2 . 52581 5
72 . 1 . 1 16 16 GLY H H 1 8.289 0.020 . 1 . . . . . 16 GLY H . 52581 5
73 . 1 . 1 16 16 GLY HA2 H 1 3.854 0.020 . 1 . . . . . 16 GLY HA2 . 52581 5
74 . 1 . 1 16 16 GLY HA3 H 1 3.854 0.020 . 1 . . . . . 16 GLY HA3 . 52581 5
75 . 1 . 1 17 17 PHE H H 1 8.160 0.020 . 1 . . . . . 17 PHE H . 52581 5
76 . 1 . 1 17 17 PHE HA H 1 4.566 0.020 . 1 . . . . . 17 PHE HA . 52581 5
77 . 1 . 1 17 17 PHE HB2 H 1 2.982 0.020 . 2 . . . . . 17 PHE HB2 . 52581 5
78 . 1 . 1 17 17 PHE HB3 H 1 3.080 0.020 . 2 . . . . . 17 PHE HB3 . 52581 5
79 . 1 . 1 17 17 PHE HD1 H 1 7.203 0.020 . 1 . . . . . 17 PHE HD1 . 52581 5
80 . 1 . 1 17 17 PHE HD2 H 1 7.203 0.020 . 1 . . . . . 17 PHE HD2 . 52581 5
81 . 1 . 1 17 17 PHE HE1 H 1 7.295 0.020 . 1 . . . . . 17 PHE HE1 . 52581 5
82 . 1 . 1 17 17 PHE HE2 H 1 7.295 0.020 . 1 . . . . . 17 PHE HE2 . 52581 5
83 . 1 . 1 18 18 ALA H H 1 8.349 0.020 . 1 . . . . . 18 ALA H . 52581 5
84 . 1 . 1 18 18 ALA HA H 1 4.250 0.020 . 1 . . . . . 18 ALA HA . 52581 5
85 . 1 . 1 18 18 ALA HB1 H 1 1.293 0.020 . 1 . . . . . 18 ALA HB . 52581 5
86 . 1 . 1 18 18 ALA HB2 H 1 1.293 0.020 . 1 . . . . . 18 ALA HB . 52581 5
87 . 1 . 1 18 18 ALA HB3 H 1 1.293 0.020 . 1 . . . . . 18 ALA HB . 52581 5
88 . 1 . 1 19 19 GLY H H 1 7.841 0.020 . 1 . . . . . 19 GLY H . 52581 5
89 . 1 . 1 19 19 GLY HA2 H 1 3.795 0.020 . 1 . . . . . 19 GLY HA2 . 52581 5
90 . 1 . 1 19 19 GLY HA3 H 1 3.795 0.020 . 1 . . . . . 19 GLY HA3 . 52581 5
91 . 1 . 1 20 20 HIS H H 1 8.220 0.020 . 1 . . . . . 20 HIS H . 52581 5
92 . 1 . 1 20 20 HIS HA H 1 4.638 0.020 . 1 . . . . . 20 HIS HA . 52581 5
93 . 1 . 1 20 20 HIS HB2 H 1 3.088 0.020 . 2 . . . . . 20 HIS HB2 . 52581 5
94 . 1 . 1 20 20 HIS HB3 H 1 3.219 0.020 . 2 . . . . . 20 HIS HB3 . 52581 5
95 . 1 . 1 20 20 HIS HD2 H 1 7.134 0.020 . 1 . . . . . 20 HIS HD2 . 52581 5
96 . 1 . 1 21 21 GLY H H 1 8.439 0.020 . 1 . . . . . 21 GLY H . 52581 5
97 . 1 . 1 21 21 GLY HA2 H 1 3.885 0.020 . 1 . . . . . 21 GLY HA2 . 52581 5
98 . 1 . 1 21 21 GLY HA3 H 1 3.885 0.020 . 1 . . . . . 21 GLY HA3 . 52581 5
99 . 1 . 1 22 22 LEU H H 1 8.100 0.020 . 1 . . . . . 22 LEU H . 52581 5
100 . 1 . 1 22 22 LEU HA H 1 4.257 0.020 . 1 . . . . . 22 LEU HA . 52581 5
101 . 1 . 1 22 22 LEU HB2 H 1 1.445 0.020 . 1 . . . . . 22 LEU HB2 . 52581 5
102 . 1 . 1 22 22 LEU HB3 H 1 1.445 0.020 . 1 . . . . . 22 LEU HB3 . 52581 5
103 . 1 . 1 22 22 LEU HG H 1 1.402 0.020 . 1 . . . . . 22 LEU HG . 52581 5
104 . 1 . 1 22 22 LEU HD11 H 1 0.816 0.020 . 1 . . . . . 22 LEU HD1 . 52581 5
105 . 1 . 1 22 22 LEU HD12 H 1 0.816 0.020 . 1 . . . . . 22 LEU HD1 . 52581 5
106 . 1 . 1 22 22 LEU HD13 H 1 0.816 0.020 . 1 . . . . . 22 LEU HD1 . 52581 5
107 . 1 . 1 22 22 LEU HD21 H 1 0.816 0.020 . 1 . . . . . 22 LEU HD2 . 52581 5
108 . 1 . 1 22 22 LEU HD22 H 1 0.816 0.020 . 1 . . . . . 22 LEU HD2 . 52581 5
109 . 1 . 1 22 22 LEU HD23 H 1 0.816 0.020 . 1 . . . . . 22 LEU HD2 . 52581 5
110 . 1 . 1 23 23 TYR H H 1 7.602 0.020 . 1 . . . . . 23 TYR H . 52581 5
111 . 1 . 1 23 23 TYR HA H 1 4.382 0.020 . 1 . . . . . 23 TYR HA . 52581 5
112 . 1 . 1 23 23 TYR HB2 H 1 2.842 0.020 . 2 . . . . . 23 TYR HB2 . 52581 5
113 . 1 . 1 23 23 TYR HB3 H 1 3.073 0.020 . 2 . . . . . 23 TYR HB3 . 52581 5
114 . 1 . 1 23 23 TYR HD1 H 1 7.054 0.020 . 3 . . . . . 23 TYR HD1 . 52581 5
115 . 1 . 1 23 23 TYR HD2 H 1 7.044 0.020 . 3 . . . . . 23 TYR HD2 . 52581 5
stop_
save_