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 52581
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for HBpep GY23 at pH 3.5'
_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-1H NOESY' . . . 52581 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 . . 52581 1
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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 2 2 HIS H H 1 8.793 0.020 . 1 . . . . . 2 HIS H . 52581 1
2 . 1 . 1 2 2 HIS HA H 1 4.783 0.020 . 1 . . . . . 2 HIS HA . 52581 1
3 . 1 . 1 2 2 HIS HB2 H 1 3.288 0.020 . 2 . . . . . 2 HIS HB2 . 52581 1
4 . 1 . 1 2 2 HIS HB3 H 1 3.172 0.020 . 2 . . . . . 2 HIS HB3 . 52581 1
5 . 1 . 1 2 2 HIS HD2 H 1 7.299 0.020 . 1 . . . . . 2 HIS HD2 . 52581 1
6 . 1 . 1 3 3 GLY H H 1 8.549 0.020 . 1 . . . . . 3 GLY H . 52581 1
7 . 1 . 1 3 3 GLY HA2 H 1 3.885 0.020 . 1 . . . . . 3 GLY HA2 . 52581 1
8 . 1 . 1 3 3 GLY HA3 H 1 3.885 0.020 . 1 . . . . . 3 GLY HA3 . 52581 1
9 . 1 . 1 4 4 LEU H H 1 8.229 0.020 . 1 . . . . . 4 LEU H . 52581 1
10 . 1 . 1 4 4 LEU HA H 1 4.235 0.020 . 1 . . . . . 4 LEU HA . 52581 1
11 . 1 . 1 4 4 LEU HB2 H 1 1.426 0.020 . 1 . . . . . 4 LEU HB2 . 52581 1
12 . 1 . 1 4 4 LEU HB3 H 1 1.426 0.020 . 1 . . . . . 4 LEU HB3 . 52581 1
13 . 1 . 1 4 4 LEU HG H 1 1.336 0.020 . 1 . . . . . 4 LEU HG . 52581 1
14 . 1 . 1 4 4 LEU HD11 H 1 0.846 0.020 . 2 . . . . . 4 LEU HD1 . 52581 1
15 . 1 . 1 4 4 LEU HD12 H 1 0.846 0.020 . 2 . . . . . 4 LEU HD1 . 52581 1
16 . 1 . 1 4 4 LEU HD13 H 1 0.846 0.020 . 2 . . . . . 4 LEU HD1 . 52581 1
17 . 1 . 1 4 4 LEU HD21 H 1 0.796 0.020 . 2 . . . . . 4 LEU HD2 . 52581 1
18 . 1 . 1 4 4 LEU HD22 H 1 0.796 0.020 . 2 . . . . . 4 LEU HD2 . 52581 1
19 . 1 . 1 4 4 LEU HD23 H 1 0.796 0.020 . 2 . . . . . 4 LEU HD2 . 52581 1
20 . 1 . 1 5 5 TYR H H 1 8.260 0.020 . 1 . . . . . 5 TYR H . 52581 1
21 . 1 . 1 5 5 TYR HA H 1 4.544 0.020 . 1 . . . . . 5 TYR HA . 52581 1
22 . 1 . 1 5 5 TYR HB2 H 1 3.039 0.020 . 2 . . . . . 5 TYR HB2 . 52581 1
23 . 1 . 1 5 5 TYR HB3 H 1 2.890 0.020 . 2 . . . . . 5 TYR HB3 . 52581 1
24 . 1 . 1 5 5 TYR HD1 H 1 7.043 0.020 . 3 . . . . . 5 TYR HD1 . 52581 1
25 . 1 . 1 5 5 TYR HD2 H 1 7.033 0.020 . 3 . . . . . 5 TYR HD2 . 52581 1
26 . 1 . 1 5 5 TYR HE1 H 1 6.769 0.020 . 1 . . . . . 5 TYR HE1 . 52581 1
27 . 1 . 1 5 5 TYR HE2 H 1 6.769 0.020 . 1 . . . . . 5 TYR HE2 . 52581 1
28 . 1 . 1 6 6 GLY H H 1 8.262 0.020 . 1 . . . . . 6 GLY H . 52581 1
29 . 1 . 1 6 6 GLY HA2 H 1 3.867 0.020 . 1 . . . . . 6 GLY HA2 . 52581 1
30 . 1 . 1 6 6 GLY HA3 H 1 3.867 0.020 . 1 . . . . . 6 GLY HA3 . 52581 1
31 . 1 . 1 7 7 ALA H H 1 8.180 0.020 . 1 . . . . . 7 ALA H . 52581 1
32 . 1 . 1 7 7 ALA HA H 1 4.265 0.020 . 1 . . . . . 7 ALA HA . 52581 1
33 . 1 . 1 7 7 ALA HB1 H 1 1.357 0.020 . 1 . . . . . 7 ALA HB . 52581 1
34 . 1 . 1 7 7 ALA HB2 H 1 1.357 0.020 . 1 . . . . . 7 ALA HB . 52581 1
35 . 1 . 1 7 7 ALA HB3 H 1 1.357 0.020 . 1 . . . . . 7 ALA HB . 52581 1
36 . 1 . 1 8 8 GLY H H 1 8.370 0.020 . 1 . . . . . 8 GLY H . 52581 1
37 . 1 . 1 8 8 GLY HA2 H 1 3.836 0.020 . 1 . . . . . 8 GLY HA2 . 52581 1
38 . 1 . 1 8 8 GLY HA3 H 1 3.836 0.020 . 1 . . . . . 8 GLY HA3 . 52581 1
39 . 1 . 1 9 9 PHE H H 1 8.041 0.020 . 1 . . . . . 9 PHE H . 52581 1
40 . 1 . 1 9 9 PHE HA H 1 4.544 0.020 . 1 . . . . . 9 PHE HA . 52581 1
41 . 1 . 1 9 9 PHE HB2 H 1 3.079 0.020 . 2 . . . . . 9 PHE HB2 . 52581 1
42 . 1 . 1 9 9 PHE HB3 H 1 2.980 0.020 . 2 . . . . . 9 PHE HB3 . 52581 1
43 . 1 . 1 9 9 PHE HD1 H 1 7.184 0.020 . 1 . . . . . 9 PHE HD1 . 52581 1
44 . 1 . 1 9 9 PHE HD2 H 1 7.184 0.020 . 1 . . . . . 9 PHE HD2 . 52581 1
45 . 1 . 1 9 9 PHE HE1 H 1 7.274 0.020 . 1 . . . . . 9 PHE HE1 . 52581 1
46 . 1 . 1 9 9 PHE HE2 H 1 7.274 0.020 . 1 . . . . . 9 PHE HE2 . 52581 1
47 . 1 . 1 10 10 ALA H H 1 8.290 0.020 . 1 . . . . . 10 ALA H . 52581 1
48 . 1 . 1 10 10 ALA HA H 1 4.244 0.020 . 1 . . . . . 10 ALA HA . 52581 1
49 . 1 . 1 10 10 ALA HB1 H 1 1.295 0.020 . 1 . . . . . 10 ALA HB . 52581 1
50 . 1 . 1 10 10 ALA HB2 H 1 1.295 0.020 . 1 . . . . . 10 ALA HB . 52581 1
51 . 1 . 1 10 10 ALA HB3 H 1 1.295 0.020 . 1 . . . . . 10 ALA HB . 52581 1
52 . 1 . 1 11 11 GLY H H 1 7.851 0.020 . 1 . . . . . 11 GLY H . 52581 1
53 . 1 . 1 11 11 GLY HA2 H 1 3.817 0.020 . 1 . . . . . 11 GLY HA2 . 52581 1
54 . 1 . 1 11 11 GLY HA3 H 1 3.817 0.020 . 1 . . . . . 11 GLY HA3 . 52581 1
55 . 1 . 1 12 12 HIS H H 1 8.349 0.020 . 1 . . . . . 12 HIS H . 52581 1
56 . 1 . 1 12 12 HIS HA H 1 4.703 0.020 . 1 . . . . . 12 HIS HA . 52581 1
57 . 1 . 1 12 12 HIS HB2 H 1 3.288 0.020 . 2 . . . . . 12 HIS HB2 . 52581 1
58 . 1 . 1 12 12 HIS HB3 H 1 3.119 0.020 . 2 . . . . . 12 HIS HB3 . 52581 1
59 . 1 . 1 12 12 HIS HD2 H 1 7.253 0.020 . 1 . . . . . 12 HIS HD2 . 52581 1
60 . 1 . 1 13 13 GLY H H 1 8.479 0.020 . 1 . . . . . 13 GLY H . 52581 1
61 . 1 . 1 13 13 GLY HA2 H 1 3.916 0.020 . 1 . . . . . 13 GLY HA2 . 52581 1
62 . 1 . 1 13 13 GLY HA3 H 1 3.916 0.020 . 1 . . . . . 13 GLY HA3 . 52581 1
63 . 1 . 1 14 14 LEU H H 1 8.170 0.020 . 1 . . . . . 14 LEU H . 52581 1
64 . 1 . 1 14 14 LEU HA H 1 4.275 0.020 . 1 . . . . . 14 LEU HA . 52581 1
65 . 1 . 1 14 14 LEU HB2 H 1 1.526 0.020 . 1 . . . . . 14 LEU HB2 . 52581 1
66 . 1 . 1 14 14 LEU HB3 H 1 1.526 0.020 . 1 . . . . . 14 LEU HB3 . 52581 1
67 . 1 . 1 14 14 LEU HG H 1 1.446 0.020 . 1 . . . . . 14 LEU HG . 52581 1
68 . 1 . 1 14 14 LEU HD11 H 1 0.846 0.020 . 2 . . . . . 14 LEU HD1 . 52581 1
69 . 1 . 1 14 14 LEU HD12 H 1 0.846 0.020 . 2 . . . . . 14 LEU HD1 . 52581 1
70 . 1 . 1 14 14 LEU HD13 H 1 0.846 0.020 . 2 . . . . . 14 LEU HD1 . 52581 1
71 . 1 . 1 14 14 LEU HD21 H 1 0.809 0.020 . 2 . . . . . 14 LEU HD2 . 52581 1
72 . 1 . 1 14 14 LEU HD22 H 1 0.809 0.020 . 2 . . . . . 14 LEU HD2 . 52581 1
73 . 1 . 1 14 14 LEU HD23 H 1 0.809 0.020 . 2 . . . . . 14 LEU HD2 . 52581 1
74 . 1 . 1 15 15 HIS H H 1 8.579 0.020 . 1 . . . . . 15 HIS H . 52581 1
75 . 1 . 1 15 15 HIS HA H 1 4.683 0.020 . 1 . . . . . 15 HIS HA . 52581 1
76 . 1 . 1 15 15 HIS HB2 H 1 3.248 0.020 . 2 . . . . . 15 HIS HB2 . 52581 1
77 . 1 . 1 15 15 HIS HB3 H 1 3.108 0.020 . 2 . . . . . 15 HIS HB3 . 52581 1
78 . 1 . 1 15 15 HIS HD2 H 1 7.244 0.020 . 1 . . . . . 15 HIS HD2 . 52581 1
79 . 1 . 1 16 16 GLY H H 1 8.279 0.020 . 1 . . . . . 16 GLY H . 52581 1
80 . 1 . 1 16 16 GLY HA2 H 1 3.857 0.020 . 1 . . . . . 16 GLY HA2 . 52581 1
81 . 1 . 1 16 16 GLY HA3 H 1 3.857 0.020 . 1 . . . . . 16 GLY HA3 . 52581 1
82 . 1 . 1 17 17 PHE H H 1 8.180 0.020 . 1 . . . . . 17 PHE H . 52581 1
83 . 1 . 1 17 17 PHE HA H 1 4.584 0.020 . 1 . . . . . 17 PHE HA . 52581 1
84 . 1 . 1 17 17 PHE HB2 H 1 3.080 0.020 . 2 . . . . . 17 PHE HB2 . 52581 1
85 . 1 . 1 17 17 PHE HB3 H 1 2.979 0.020 . 2 . . . . . 17 PHE HB3 . 52581 1
86 . 1 . 1 17 17 PHE HD1 H 1 7.214 0.020 . 1 . . . . . 17 PHE HD1 . 52581 1
87 . 1 . 1 17 17 PHE HD2 H 1 7.214 0.020 . 1 . . . . . 17 PHE HD2 . 52581 1
88 . 1 . 1 17 17 PHE HE1 H 1 7.293 0.020 . 1 . . . . . 17 PHE HE1 . 52581 1
89 . 1 . 1 17 17 PHE HE2 H 1 7.293 0.020 . 1 . . . . . 17 PHE HE2 . 52581 1
90 . 1 . 1 18 18 ALA H H 1 8.380 0.020 . 1 . . . . . 18 ALA H . 52581 1
91 . 1 . 1 18 18 ALA HA H 1 4.266 0.020 . 1 . . . . . 18 ALA HA . 52581 1
92 . 1 . 1 18 18 ALA HB1 H 1 1.306 0.020 . 1 . . . . . 18 ALA HB . 52581 1
93 . 1 . 1 18 18 ALA HB2 H 1 1.306 0.020 . 1 . . . . . 18 ALA HB . 52581 1
94 . 1 . 1 18 18 ALA HB3 H 1 1.306 0.020 . 1 . . . . . 18 ALA HB . 52581 1
95 . 1 . 1 19 19 GLY H H 1 7.871 0.020 . 1 . . . . . 19 GLY H . 52581 1
96 . 1 . 1 19 19 GLY HA2 H 1 3.847 0.020 . 1 . . . . . 19 GLY HA2 . 52581 1
97 . 1 . 1 19 19 GLY HA3 H 1 3.847 0.020 . 1 . . . . . 19 GLY HA3 . 52581 1
98 . 1 . 1 20 20 HIS H H 1 8.360 0.020 . 1 . . . . . 20 HIS H . 52581 1
99 . 1 . 1 20 20 HIS HA H 1 4.693 0.020 . 1 . . . . . 20 HIS HA . 52581 1
100 . 1 . 1 20 20 HIS HB2 H 1 3.288 0.020 . 2 . . . . . 20 HIS HB2 . 52581 1
101 . 1 . 1 20 20 HIS HB3 H 1 3.130 0.020 . 2 . . . . . 20 HIS HB3 . 52581 1
102 . 1 . 1 20 20 HIS HD2 H 1 7.260 0.020 . 1 . . . . . 20 HIS HD2 . 52581 1
103 . 1 . 1 21 21 GLY H H 1 8.469 0.020 . 1 . . . . . 21 GLY H . 52581 1
104 . 1 . 1 21 21 GLY HA2 H 1 3.907 0.020 . 1 . . . . . 21 GLY HA2 . 52581 1
105 . 1 . 1 21 21 GLY HA3 H 1 3.907 0.020 . 1 . . . . . 21 GLY HA3 . 52581 1
106 . 1 . 1 22 22 LEU H H 1 8.091 0.020 . 1 . . . . . 22 LEU H . 52581 1
107 . 1 . 1 22 22 LEU HA H 1 4.265 0.020 . 1 . . . . . 22 LEU HA . 52581 1
108 . 1 . 1 22 22 LEU HB2 H 1 1.443 0.020 . 1 . . . . . 22 LEU HB2 . 52581 1
109 . 1 . 1 22 22 LEU HB3 H 1 1.443 0.020 . 1 . . . . . 22 LEU HB3 . 52581 1
110 . 1 . 1 22 22 LEU HG H 1 1.400 0.020 . 1 . . . . . 22 LEU HG . 52581 1
111 . 1 . 1 22 22 LEU HD11 H 1 0.852 0.020 . 2 . . . . . 22 LEU HD1 . 52581 1
112 . 1 . 1 22 22 LEU HD12 H 1 0.852 0.020 . 2 . . . . . 22 LEU HD1 . 52581 1
113 . 1 . 1 22 22 LEU HD13 H 1 0.852 0.020 . 2 . . . . . 22 LEU HD1 . 52581 1
114 . 1 . 1 22 22 LEU HD21 H 1 0.794 0.020 . 2 . . . . . 22 LEU HD2 . 52581 1
115 . 1 . 1 22 22 LEU HD22 H 1 0.794 0.020 . 2 . . . . . 22 LEU HD2 . 52581 1
116 . 1 . 1 22 22 LEU HD23 H 1 0.794 0.020 . 2 . . . . . 22 LEU HD2 . 52581 1
117 . 1 . 1 23 23 TYR H H 1 7.861 0.020 . 1 . . . . . 23 TYR H . 52581 1
118 . 1 . 1 23 23 TYR HA H 1 4.465 0.020 . 1 . . . . . 23 TYR HA . 52581 1
119 . 1 . 1 23 23 TYR HB2 H 1 2.868 0.020 . 2 . . . . . 23 TYR HB2 . 52581 1
120 . 1 . 1 23 23 TYR HB3 H 1 3.087 0.020 . 2 . . . . . 23 TYR HB3 . 52581 1
121 . 1 . 1 23 23 TYR HD1 H 1 7.065 0.020 . 3 . . . . . 23 TYR HD1 . 52581 1
122 . 1 . 1 23 23 TYR HD2 H 1 7.055 0.020 . 3 . . . . . 23 TYR HD2 . 52581 1
123 . 1 . 1 23 23 TYR HE1 H 1 6.766 0.020 . 1 . . . . . 23 TYR HE1 . 52581 1
124 . 1 . 1 23 23 TYR HE2 H 1 6.766 0.020 . 1 . . . . . 23 TYR HE2 . 52581 1
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save_