Content for NMR-STAR saveframe, assigned_chemical_shifts_7
save_assigned_chemical_shifts_7
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_7
_Assigned_chem_shift_list.Entry_ID 52581
_Assigned_chem_shift_list.ID 7
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for HBpep GY23 at pH 7.0'
_Assigned_chem_shift_list.Sample_condition_list_ID 7
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_7
_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
7 '2D 1H-1H NOESY' . . . 52581 7
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 7
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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 HB3 H 1 3.016 0.020 . 1 . . . . . 2 HIS HB3 . 52581 7
2 . 1 . 1 3 3 GLY H H 1 8.496 0.020 . 1 . . . . . 3 GLY H . 52581 7
3 . 1 . 1 3 3 GLY HA2 H 1 3.864 0.020 . 1 . . . . . 3 GLY HA2 . 52581 7
4 . 1 . 1 3 3 GLY HA3 H 1 3.864 0.020 . 1 . . . . . 3 GLY HA3 . 52581 7
5 . 1 . 1 4 4 LEU H H 1 8.230 0.020 . 1 . . . . . 4 LEU H . 52581 7
6 . 1 . 1 4 4 LEU HA H 1 4.204 0.020 . 1 . . . . . 4 LEU HA . 52581 7
7 . 1 . 1 4 4 LEU HB2 H 1 1.390 0.020 . 1 . . . . . 4 LEU HB2 . 52581 7
8 . 1 . 1 4 4 LEU HB3 H 1 1.390 0.020 . 1 . . . . . 4 LEU HB3 . 52581 7
9 . 1 . 1 4 4 LEU HG H 1 1.284 0.020 . 1 . . . . . 4 LEU HG . 52581 7
10 . 1 . 1 4 4 LEU HD11 H 1 0.781 0.020 . 1 . . . . . 4 LEU HD1 . 52581 7
11 . 1 . 1 4 4 LEU HD12 H 1 0.781 0.020 . 1 . . . . . 4 LEU HD1 . 52581 7
12 . 1 . 1 4 4 LEU HD13 H 1 0.781 0.020 . 1 . . . . . 4 LEU HD1 . 52581 7
13 . 1 . 1 4 4 LEU HD21 H 1 0.781 0.020 . 1 . . . . . 4 LEU HD2 . 52581 7
14 . 1 . 1 4 4 LEU HD22 H 1 0.781 0.020 . 1 . . . . . 4 LEU HD2 . 52581 7
15 . 1 . 1 4 4 LEU HD23 H 1 0.781 0.020 . 1 . . . . . 4 LEU HD2 . 52581 7
16 . 1 . 1 5 5 TYR H H 1 8.203 0.020 . 1 . . . . . 5 TYR H . 52581 7
17 . 1 . 1 5 5 TYR HA H 1 4.525 0.020 . 1 . . . . . 5 TYR HA . 52581 7
18 . 1 . 1 5 5 TYR HB2 H 1 2.858 0.020 . 2 . . . . . 5 TYR HB2 . 52581 7
19 . 1 . 1 5 5 TYR HB3 H 1 3.039 0.020 . 2 . . . . . 5 TYR HB3 . 52581 7
20 . 1 . 1 5 5 TYR HD1 H 1 7.020 0.020 . 3 . . . . . 5 TYR HD1 . 52581 7
21 . 1 . 1 5 5 TYR HD2 H 1 7.011 0.020 . 3 . . . . . 5 TYR HD2 . 52581 7
22 . 1 . 1 6 6 GLY H H 1 8.215 0.020 . 1 . . . . . 6 GLY H . 52581 7
23 . 1 . 1 6 6 GLY HA2 H 1 3.825 0.020 . 1 . . . . . 6 GLY HA2 . 52581 7
24 . 1 . 1 6 6 GLY HA3 H 1 3.825 0.020 . 1 . . . . . 6 GLY HA3 . 52581 7
25 . 1 . 1 7 7 ALA H H 1 8.196 0.020 . 1 . . . . . 7 ALA H . 52581 7
26 . 1 . 1 7 7 ALA HA H 1 4.253 0.020 . 1 . . . . . 7 ALA HA . 52581 7
27 . 1 . 1 7 7 ALA HB1 H 1 1.341 0.020 . 1 . . . . . 7 ALA HB . 52581 7
28 . 1 . 1 7 7 ALA HB2 H 1 1.341 0.020 . 1 . . . . . 7 ALA HB . 52581 7
29 . 1 . 1 7 7 ALA HB3 H 1 1.341 0.020 . 1 . . . . . 7 ALA HB . 52581 7
30 . 1 . 1 8 8 GLY H H 1 8.385 0.020 . 1 . . . . . 8 GLY H . 52581 7
31 . 1 . 1 8 8 GLY HA2 H 1 3.813 0.020 . 1 . . . . . 8 GLY HA2 . 52581 7
32 . 1 . 1 8 8 GLY HA3 H 1 3.813 0.020 . 1 . . . . . 8 GLY HA3 . 52581 7
33 . 1 . 1 9 9 PHE H H 1 8.016 0.020 . 1 . . . . . 9 PHE H . 52581 7
34 . 1 . 1 9 9 PHE HA H 1 4.537 0.020 . 1 . . . . . 9 PHE HA . 52581 7
35 . 1 . 1 9 9 PHE HB2 H 1 3.053 0.020 . 2 . . . . . 9 PHE HB2 . 52581 7
36 . 1 . 1 9 9 PHE HB3 H 1 2.980 0.020 . 2 . . . . . 9 PHE HB3 . 52581 7
37 . 1 . 1 9 9 PHE HD1 H 1 7.160 0.020 . 1 . . . . . 9 PHE HD1 . 52581 7
38 . 1 . 1 9 9 PHE HD2 H 1 7.160 0.020 . 1 . . . . . 9 PHE HD2 . 52581 7
39 . 1 . 1 9 9 PHE HE1 H 1 7.247 0.020 . 1 . . . . . 9 PHE HE1 . 52581 7
40 . 1 . 1 9 9 PHE HE2 H 1 7.247 0.020 . 1 . . . . . 9 PHE HE2 . 52581 7
41 . 1 . 1 10 10 ALA H H 1 8.299 0.020 . 1 . . . . . 10 ALA H . 52581 7
42 . 1 . 1 10 10 ALA HA H 1 4.221 0.020 . 1 . . . . . 10 ALA HA . 52581 7
43 . 1 . 1 10 10 ALA HB1 H 1 1.282 0.020 . 1 . . . . . 10 ALA HB . 52581 7
44 . 1 . 1 10 10 ALA HB2 H 1 1.282 0.020 . 1 . . . . . 10 ALA HB . 52581 7
45 . 1 . 1 10 10 ALA HB3 H 1 1.282 0.020 . 1 . . . . . 10 ALA HB . 52581 7
46 . 1 . 1 11 11 GLY H H 1 7.668 0.020 . 1 . . . . . 11 GLY H . 52581 7
47 . 1 . 1 11 11 GLY HA2 H 1 3.745 0.020 . 1 . . . . . 11 GLY HA2 . 52581 7
48 . 1 . 1 11 11 GLY HA3 H 1 3.745 0.020 . 1 . . . . . 11 GLY HA3 . 52581 7
49 . 1 . 1 12 12 HIS H H 1 8.139 0.020 . 1 . . . . . 12 HIS H . 52581 7
50 . 1 . 1 12 12 HIS HA H 1 4.601 0.020 . 1 . . . . . 12 HIS HA . 52581 7
51 . 1 . 1 12 12 HIS HB2 H 1 3.160 0.020 . 2 . . . . . 12 HIS HB2 . 52581 7
52 . 1 . 1 12 12 HIS HB3 H 1 3.066 0.020 . 2 . . . . . 12 HIS HB3 . 52581 7
53 . 1 . 1 12 12 HIS HD2 H 1 7.050 0.020 . 1 . . . . . 12 HIS HD2 . 52581 7
54 . 1 . 1 13 13 GLY H H 1 8.397 0.020 . 1 . . . . . 13 GLY H . 52581 7
55 . 1 . 1 13 13 GLY HA2 H 1 3.875 0.020 . 1 . . . . . 13 GLY HA2 . 52581 7
56 . 1 . 1 13 13 GLY HA3 H 1 3.875 0.020 . 1 . . . . . 13 GLY HA3 . 52581 7
57 . 1 . 1 14 14 LEU H H 1 8.181 0.020 . 1 . . . . . 14 LEU H . 52581 7
58 . 1 . 1 14 14 LEU HA H 1 4.272 0.020 . 1 . . . . . 14 LEU HA . 52581 7
59 . 1 . 1 14 14 LEU HB2 H 1 1.496 0.020 . 1 . . . . . 14 LEU HB2 . 52581 7
60 . 1 . 1 14 14 LEU HB3 H 1 1.496 0.020 . 1 . . . . . 14 LEU HB3 . 52581 7
61 . 1 . 1 14 14 LEU HG H 1 1.430 0.020 . 1 . . . . . 14 LEU HG . 52581 7
62 . 1 . 1 14 14 LEU HD11 H 1 0.801 0.020 . 1 . . . . . 14 LEU HD1 . 52581 7
63 . 1 . 1 14 14 LEU HD12 H 1 0.801 0.020 . 1 . . . . . 14 LEU HD1 . 52581 7
64 . 1 . 1 14 14 LEU HD13 H 1 0.801 0.020 . 1 . . . . . 14 LEU HD1 . 52581 7
65 . 1 . 1 14 14 LEU HD21 H 1 0.801 0.020 . 1 . . . . . 14 LEU HD2 . 52581 7
66 . 1 . 1 14 14 LEU HD22 H 1 0.801 0.020 . 1 . . . . . 14 LEU HD2 . 52581 7
67 . 1 . 1 14 14 LEU HD23 H 1 0.801 0.020 . 1 . . . . . 14 LEU HD2 . 52581 7
68 . 1 . 1 15 15 HIS H H 1 8.338 0.020 . 1 . . . . . 15 HIS H . 52581 7
69 . 1 . 1 15 15 HIS HA H 1 4.592 0.020 . 1 . . . . . 15 HIS HA . 52581 7
70 . 1 . 1 15 15 HIS HB2 H 1 3.128 0.020 . 2 . . . . . 15 HIS HB2 . 52581 7
71 . 1 . 1 15 15 HIS HB3 H 1 3.018 0.020 . 2 . . . . . 15 HIS HB3 . 52581 7
72 . 1 . 1 15 15 HIS HD2 H 1 7.015 0.020 . 1 . . . . . 15 HIS HD2 . 52581 7
73 . 1 . 1 16 16 GLY H H 1 8.249 0.020 . 1 . . . . . 16 GLY H . 52581 7
74 . 1 . 1 16 16 GLY HA2 H 1 3.848 0.020 . 1 . . . . . 16 GLY HA2 . 52581 7
75 . 1 . 1 16 16 GLY HA3 H 1 3.848 0.020 . 1 . . . . . 16 GLY HA3 . 52581 7
76 . 1 . 1 17 17 PHE H H 1 8.151 0.020 . 1 . . . . . 17 PHE H . 52581 7
77 . 1 . 1 17 17 PHE HA H 1 4.561 0.020 . 1 . . . . . 17 PHE HA . 52581 7
78 . 1 . 1 17 17 PHE HB2 H 1 3.076 0.020 . 2 . . . . . 17 PHE HB2 . 52581 7
79 . 1 . 1 17 17 PHE HB3 H 1 2.978 0.020 . 2 . . . . . 17 PHE HB3 . 52581 7
80 . 1 . 1 17 17 PHE HD1 H 1 7.193 0.020 . 1 . . . . . 17 PHE HD1 . 52581 7
81 . 1 . 1 17 17 PHE HD2 H 1 7.193 0.020 . 1 . . . . . 17 PHE HD2 . 52581 7
82 . 1 . 1 17 17 PHE HE1 H 1 7.285 0.020 . 1 . . . . . 17 PHE HE1 . 52581 7
83 . 1 . 1 17 17 PHE HE2 H 1 7.285 0.020 . 1 . . . . . 17 PHE HE2 . 52581 7
84 . 1 . 1 18 18 ALA H H 1 8.343 0.020 . 1 . . . . . 18 ALA H . 52581 7
85 . 1 . 1 18 18 ALA HA H 1 4.243 0.020 . 1 . . . . . 18 ALA HA . 52581 7
86 . 1 . 1 18 18 ALA HB1 H 1 1.292 0.020 . 1 . . . . . 18 ALA HB . 52581 7
87 . 1 . 1 18 18 ALA HB2 H 1 1.292 0.020 . 1 . . . . . 18 ALA HB . 52581 7
88 . 1 . 1 18 18 ALA HB3 H 1 1.292 0.020 . 1 . . . . . 18 ALA HB . 52581 7
89 . 1 . 1 19 19 GLY H H 1 7.787 0.020 . 1 . . . . . 19 GLY H . 52581 7
90 . 1 . 1 19 19 GLY HA2 H 1 3.775 0.020 . 1 . . . . . 19 GLY HA2 . 52581 7
91 . 1 . 1 19 19 GLY HA3 H 1 3.775 0.020 . 1 . . . . . 19 GLY HA3 . 52581 7
92 . 1 . 1 20 20 HIS H H 1 8.128 0.020 . 1 . . . . . 20 HIS H . 52581 7
93 . 1 . 1 20 20 HIS HA H 1 4.601 0.020 . 1 . . . . . 20 HIS HA . 52581 7
94 . 1 . 1 20 20 HIS HB2 H 1 3.156 0.020 . 2 . . . . . 20 HIS HB2 . 52581 7
95 . 1 . 1 20 20 HIS HB3 H 1 3.055 0.020 . 2 . . . . . 20 HIS HB3 . 52581 7
96 . 1 . 1 20 20 HIS HD2 H 1 7.030 0.020 . 1 . . . . . 20 HIS HD2 . 52581 7
97 . 1 . 1 21 21 GLY H H 1 8.371 0.020 . 1 . . . . . 21 GLY H . 52581 7
98 . 1 . 1 21 21 GLY HA2 H 1 3.865 0.020 . 1 . . . . . 21 GLY HA2 . 52581 7
99 . 1 . 1 21 21 GLY HA3 H 1 3.865 0.020 . 1 . . . . . 21 GLY HA3 . 52581 7
100 . 1 . 1 22 22 LEU H H 1 8.106 0.020 . 1 . . . . . 22 LEU H . 52581 7
101 . 1 . 1 22 22 LEU HA H 1 4.263 0.020 . 1 . . . . . 22 LEU HA . 52581 7
102 . 1 . 1 22 22 LEU HB2 H 1 1.442 0.020 . 1 . . . . . 22 LEU HB2 . 52581 7
103 . 1 . 1 22 22 LEU HB3 H 1 1.442 0.020 . 1 . . . . . 22 LEU HB3 . 52581 7
104 . 1 . 1 22 22 LEU HG H 1 1.390 0.020 . 1 . . . . . 22 LEU HG . 52581 7
105 . 1 . 1 22 22 LEU HD11 H 1 0.804 0.020 . 1 . . . . . 22 LEU HD1 . 52581 7
106 . 1 . 1 22 22 LEU HD12 H 1 0.804 0.020 . 1 . . . . . 22 LEU HD1 . 52581 7
107 . 1 . 1 22 22 LEU HD13 H 1 0.804 0.020 . 1 . . . . . 22 LEU HD1 . 52581 7
108 . 1 . 1 22 22 LEU HD21 H 1 0.804 0.020 . 1 . . . . . 22 LEU HD2 . 52581 7
109 . 1 . 1 22 22 LEU HD22 H 1 0.804 0.020 . 1 . . . . . 22 LEU HD2 . 52581 7
110 . 1 . 1 22 22 LEU HD23 H 1 0.804 0.020 . 1 . . . . . 22 LEU HD2 . 52581 7
111 . 1 . 1 23 23 TYR H H 1 7.602 0.020 . 1 . . . . . 23 TYR H . 52581 7
112 . 1 . 1 23 23 TYR HA H 1 4.378 0.020 . 1 . . . . . 23 TYR HA . 52581 7
113 . 1 . 1 23 23 TYR HB2 H 1 2.839 0.020 . 2 . . . . . 23 TYR HB2 . 52581 7
114 . 1 . 1 23 23 TYR HB3 H 1 3.077 0.020 . 2 . . . . . 23 TYR HB3 . 52581 7
115 . 1 . 1 23 23 TYR HD1 H 1 7.055 0.020 . 3 . . . . . 23 TYR HD1 . 52581 7
116 . 1 . 1 23 23 TYR HD2 H 1 7.041 0.020 . 3 . . . . . 23 TYR HD2 . 52581 7
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save_