Content for NMR-STAR saveframe, assigned_chemical_shifts_4
save_assigned_chemical_shifts_4
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_4
_Assigned_chem_shift_list.Entry_ID 52581
_Assigned_chem_shift_list.ID 4
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for HBpep GY23 at pH 6.0'
_Assigned_chem_shift_list.Sample_condition_list_ID 4
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_4
_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
4 '2D 1H-1H NOESY' . . . 52581 4
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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 4
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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 8.508 0.020 . 1 . . . . . 3 GLY H . 52581 4
2 . 1 . 1 3 3 GLY HA2 H 1 3.788 0.020 . 1 . . . . . 3 GLY HA2 . 52581 4
3 . 1 . 1 3 3 GLY HA3 H 1 3.788 0.020 . 1 . . . . . 3 GLY HA3 . 52581 4
4 . 1 . 1 4 4 LEU H H 1 8.119 0.020 . 1 . . . . . 4 LEU H . 52581 4
5 . 1 . 1 4 4 LEU HA H 1 4.104 0.020 . 1 . . . . . 4 LEU HA . 52581 4
6 . 1 . 1 4 4 LEU HB2 H 1 1.298 0.020 . 1 . . . . . 4 LEU HB2 . 52581 4
7 . 1 . 1 4 4 LEU HB3 H 1 1.298 0.020 . 1 . . . . . 4 LEU HB3 . 52581 4
8 . 1 . 1 4 4 LEU HG H 1 1.186 0.020 . 1 . . . . . 4 LEU HG . 52581 4
9 . 1 . 1 4 4 LEU HD11 H 1 0.717 0.020 . 1 . . . . . 4 LEU HD1 . 52581 4
10 . 1 . 1 4 4 LEU HD12 H 1 0.717 0.020 . 1 . . . . . 4 LEU HD1 . 52581 4
11 . 1 . 1 4 4 LEU HD13 H 1 0.717 0.020 . 1 . . . . . 4 LEU HD1 . 52581 4
12 . 1 . 1 4 4 LEU HD21 H 1 0.717 0.020 . 1 . . . . . 4 LEU HD2 . 52581 4
13 . 1 . 1 4 4 LEU HD22 H 1 0.717 0.020 . 1 . . . . . 4 LEU HD2 . 52581 4
14 . 1 . 1 4 4 LEU HD23 H 1 0.717 0.020 . 1 . . . . . 4 LEU HD2 . 52581 4
15 . 1 . 1 5 5 TYR H H 1 8.129 0.020 . 1 . . . . . 5 TYR H . 52581 4
16 . 1 . 1 5 5 TYR HA H 1 4.423 0.020 . 1 . . . . . 5 TYR HA . 52581 4
17 . 1 . 1 5 5 TYR HB2 H 1 2.761 0.020 . 2 . . . . . 5 TYR HB2 . 52581 4
18 . 1 . 1 5 5 TYR HB3 H 1 2.935 0.020 . 2 . . . . . 5 TYR HB3 . 52581 4
19 . 1 . 1 5 5 TYR HD1 H 1 6.923 0.020 . 3 . . . . . 5 TYR HD1 . 52581 4
20 . 1 . 1 5 5 TYR HD2 H 1 6.915 0.020 . 3 . . . . . 5 TYR HD2 . 52581 4
21 . 1 . 1 6 6 GLY H H 1 8.129 0.020 . 1 . . . . . 6 GLY H . 52581 4
22 . 1 . 1 6 6 GLY HA2 H 1 3.725 0.020 . 1 . . . . . 6 GLY HA2 . 52581 4
23 . 1 . 1 6 6 GLY HA3 H 1 3.725 0.020 . 1 . . . . . 6 GLY HA3 . 52581 4
24 . 1 . 1 7 7 ALA H H 1 8.089 0.020 . 1 . . . . . 7 ALA H . 52581 4
25 . 1 . 1 7 7 ALA HA H 1 4.144 0.020 . 1 . . . . . 7 ALA HA . 52581 4
26 . 1 . 1 7 7 ALA HB1 H 1 1.245 0.020 . 1 . . . . . 7 ALA HB . 52581 4
27 . 1 . 1 7 7 ALA HB2 H 1 1.245 0.020 . 1 . . . . . 7 ALA HB . 52581 4
28 . 1 . 1 7 7 ALA HB3 H 1 1.245 0.020 . 1 . . . . . 7 ALA HB . 52581 4
29 . 1 . 1 8 8 GLY H H 1 8.279 0.020 . 1 . . . . . 8 GLY H . 52581 4
30 . 1 . 1 8 8 GLY HA2 H 1 3.748 0.020 . 1 . . . . . 8 GLY HA2 . 52581 4
31 . 1 . 1 8 8 GLY HA3 H 1 3.748 0.020 . 1 . . . . . 8 GLY HA3 . 52581 4
32 . 1 . 1 9 9 PHE H H 1 7.920 0.020 . 1 . . . . . 9 PHE H . 52581 4
33 . 1 . 1 9 9 PHE HA H 1 4.433 0.020 . 1 . . . . . 9 PHE HA . 52581 4
34 . 1 . 1 9 9 PHE HB2 H 1 2.878 0.020 . 2 . . . . . 9 PHE HB2 . 52581 4
35 . 1 . 1 9 9 PHE HB3 H 1 2.960 0.020 . 2 . . . . . 9 PHE HB3 . 52581 4
36 . 1 . 1 9 9 PHE HD1 H 1 7.063 0.020 . 1 . . . . . 9 PHE HD1 . 52581 4
37 . 1 . 1 9 9 PHE HD2 H 1 7.063 0.020 . 1 . . . . . 9 PHE HD2 . 52581 4
38 . 1 . 1 9 9 PHE HE1 H 1 7.153 0.020 . 1 . . . . . 9 PHE HE1 . 52581 4
39 . 1 . 1 9 9 PHE HE2 H 1 7.153 0.020 . 1 . . . . . 9 PHE HE2 . 52581 4
40 . 1 . 1 10 10 ALA H H 1 8.189 0.020 . 1 . . . . . 10 ALA H . 52581 4
41 . 1 . 1 10 10 ALA HA H 1 4.124 0.020 . 1 . . . . . 10 ALA HA . 52581 4
42 . 1 . 1 10 10 ALA HB1 H 1 1.176 0.020 . 1 . . . . . 10 ALA HB . 52581 4
43 . 1 . 1 10 10 ALA HB2 H 1 1.176 0.020 . 1 . . . . . 10 ALA HB . 52581 4
44 . 1 . 1 10 10 ALA HB3 H 1 1.176 0.020 . 1 . . . . . 10 ALA HB . 52581 4
45 . 1 . 1 11 11 GLY H H 1 7.690 0.020 . 1 . . . . . 11 GLY H . 52581 4
46 . 1 . 1 11 11 GLY HA2 H 1 3.724 0.020 . 1 . . . . . 11 GLY HA2 . 52581 4
47 . 1 . 1 11 11 GLY HA3 H 1 3.724 0.020 . 1 . . . . . 11 GLY HA3 . 52581 4
48 . 1 . 1 12 12 HIS H H 1 8.179 0.020 . 1 . . . . . 12 HIS H . 52581 4
49 . 1 . 1 12 12 HIS HA H 1 4.552 0.020 . 1 . . . . . 12 HIS HA . 52581 4
50 . 1 . 1 12 12 HIS HB2 H 1 2.988 0.020 . 2 . . . . . 12 HIS HB2 . 52581 4
51 . 1 . 1 12 12 HIS HB3 H 1 3.136 0.020 . 2 . . . . . 12 HIS HB3 . 52581 4
52 . 1 . 1 12 12 HIS HD2 H 1 7.073 0.020 . 1 . . . . . 12 HIS HD2 . 52581 4
53 . 1 . 1 13 13 GLY H H 1 8.417 0.020 . 1 . . . . . 13 GLY H . 52581 4
54 . 1 . 1 13 13 GLY HA2 H 1 3.787 0.020 . 1 . . . . . 13 GLY HA2 . 52581 4
55 . 1 . 1 13 13 GLY HA3 H 1 3.787 0.020 . 1 . . . . . 13 GLY HA3 . 52581 4
56 . 1 . 1 14 14 LEU H H 1 8.090 0.020 . 1 . . . . . 14 LEU H . 52581 4
57 . 1 . 1 14 14 LEU HA H 1 4.154 0.020 . 1 . . . . . 14 LEU HA . 52581 4
58 . 1 . 1 14 14 LEU HB2 H 1 1.405 0.020 . 1 . . . . . 14 LEU HB2 . 52581 4
59 . 1 . 1 14 14 LEU HB3 H 1 1.405 0.020 . 1 . . . . . 14 LEU HB3 . 52581 4
60 . 1 . 1 14 14 LEU HG H 1 1.329 0.020 . 1 . . . . . 14 LEU HG . 52581 4
61 . 1 . 1 14 14 LEU HD11 H 1 0.726 0.020 . 1 . . . . . 14 LEU HD1 . 52581 4
62 . 1 . 1 14 14 LEU HD12 H 1 0.726 0.020 . 1 . . . . . 14 LEU HD1 . 52581 4
63 . 1 . 1 14 14 LEU HD13 H 1 0.726 0.020 . 1 . . . . . 14 LEU HD1 . 52581 4
64 . 1 . 1 14 14 LEU HD21 H 1 0.726 0.020 . 1 . . . . . 14 LEU HD2 . 52581 4
65 . 1 . 1 14 14 LEU HD22 H 1 0.726 0.020 . 1 . . . . . 14 LEU HD2 . 52581 4
66 . 1 . 1 14 14 LEU HD23 H 1 0.726 0.020 . 1 . . . . . 14 LEU HD2 . 52581 4
67 . 1 . 1 15 15 HIS H H 1 8.428 0.020 . 1 . . . . . 15 HIS H . 52581 4
68 . 1 . 1 15 15 HIS HA H 1 4.553 0.020 . 1 . . . . . 15 HIS HA . 52581 4
69 . 1 . 1 15 15 HIS HB2 H 1 2.980 0.020 . 2 . . . . . 15 HIS HB2 . 52581 4
70 . 1 . 1 15 15 HIS HB3 H 1 3.110 0.020 . 2 . . . . . 15 HIS HB3 . 52581 4
71 . 1 . 1 15 15 HIS HD2 H 1 7.063 0.020 . 1 . . . . . 15 HIS HD2 . 52581 4
72 . 1 . 1 16 16 GLY H H 1 8.209 0.020 . 1 . . . . . 16 GLY H . 52581 4
73 . 1 . 1 16 16 GLY HA2 H 1 3.745 0.020 . 1 . . . . . 16 GLY HA2 . 52581 4
74 . 1 . 1 16 16 GLY HA3 H 1 3.745 0.020 . 1 . . . . . 16 GLY HA3 . 52581 4
75 . 1 . 1 17 17 PHE H H 1 8.068 0.020 . 1 . . . . . 17 PHE H . 52581 4
76 . 1 . 1 17 17 PHE HA H 1 4.463 0.020 . 1 . . . . . 17 PHE HA . 52581 4
77 . 1 . 1 17 17 PHE HB2 H 1 2.882 0.020 . 2 . . . . . 17 PHE HB2 . 52581 4
78 . 1 . 1 17 17 PHE HB3 H 1 2.976 0.020 . 2 . . . . . 17 PHE HB3 . 52581 4
79 . 1 . 1 17 17 PHE HD1 H 1 7.103 0.020 . 1 . . . . . 17 PHE HD1 . 52581 4
80 . 1 . 1 17 17 PHE HD2 H 1 7.103 0.020 . 1 . . . . . 17 PHE HD2 . 52581 4
81 . 1 . 1 17 17 PHE HE1 H 1 7.184 0.020 . 1 . . . . . 17 PHE HE1 . 52581 4
82 . 1 . 1 17 17 PHE HE2 H 1 7.184 0.020 . 1 . . . . . 17 PHE HE2 . 52581 4
83 . 1 . 1 18 18 ALA H H 1 8.259 0.020 . 1 . . . . . 18 ALA H . 52581 4
84 . 1 . 1 18 18 ALA HA H 1 4.145 0.020 . 1 . . . . . 18 ALA HA . 52581 4
85 . 1 . 1 18 18 ALA HB1 H 1 1.195 0.020 . 1 . . . . . 18 ALA HB . 52581 4
86 . 1 . 1 18 18 ALA HB2 H 1 1.195 0.020 . 1 . . . . . 18 ALA HB . 52581 4
87 . 1 . 1 18 18 ALA HB3 H 1 1.195 0.020 . 1 . . . . . 18 ALA HB . 52581 4
88 . 1 . 1 19 19 GLY H H 1 7.771 0.020 . 1 . . . . . 19 GLY H . 52581 4
89 . 1 . 1 19 19 GLY HA2 H 1 3.697 0.020 . 1 . . . . . 19 GLY HA2 . 52581 4
90 . 1 . 1 19 19 GLY HA3 H 1 3.697 0.020 . 1 . . . . . 19 GLY HA3 . 52581 4
91 . 1 . 1 20 20 HIS H H 1 8.189 0.020 . 1 . . . . . 20 HIS H . 52581 4
92 . 1 . 1 20 20 HIS HA H 1 4.559 0.020 . 1 . . . . . 20 HIS HA . 52581 4
93 . 1 . 1 20 20 HIS HB2 H 1 2.989 0.020 . 2 . . . . . 20 HIS HB2 . 52581 4
94 . 1 . 1 20 20 HIS HB3 H 1 3.146 0.020 . 2 . . . . . 20 HIS HB3 . 52581 4
95 . 1 . 1 20 20 HIS HD2 H 1 7.093 0.020 . 1 . . . . . 20 HIS HD2 . 52581 4
96 . 1 . 1 21 21 GLY H H 1 8.359 0.020 . 1 . . . . . 21 GLY H . 52581 4
97 . 1 . 1 21 21 GLY HA2 H 1 3.787 0.020 . 1 . . . . . 21 GLY HA2 . 52581 4
98 . 1 . 1 21 21 GLY HA3 H 1 3.787 0.020 . 1 . . . . . 21 GLY HA3 . 52581 4
99 . 1 . 1 22 22 LEU H H 1 7.990 0.020 . 1 . . . . . 22 LEU H . 52581 4
100 . 1 . 1 22 22 LEU HA H 1 4.154 0.020 . 1 . . . . . 22 LEU HA . 52581 4
101 . 1 . 1 22 22 LEU HB2 H 1 1.339 0.020 . 1 . . . . . 22 LEU HB2 . 52581 4
102 . 1 . 1 22 22 LEU HB3 H 1 1.339 0.020 . 1 . . . . . 22 LEU HB3 . 52581 4
103 . 1 . 1 22 22 LEU HG H 1 1.297 0.020 . 1 . . . . . 22 LEU HG . 52581 4
104 . 1 . 1 23 23 TYR H H 1 7.510 0.020 . 1 . . . . . 23 TYR H . 52581 4
105 . 1 . 1 23 23 TYR HA H 1 4.276 0.020 . 1 . . . . . 23 TYR HA . 52581 4
106 . 1 . 1 23 23 TYR HB2 H 1 2.734 0.020 . 2 . . . . . 23 TYR HB2 . 52581 4
107 . 1 . 1 23 23 TYR HB3 H 1 2.968 0.020 . 2 . . . . . 23 TYR HB3 . 52581 4
108 . 1 . 1 23 23 TYR HD1 H 1 6.943 0.020 . 3 . . . . . 23 TYR HD1 . 52581 4
109 . 1 . 1 23 23 TYR HD2 H 1 6.933 0.020 . 3 . . . . . 23 TYR HD2 . 52581 4
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