Content for NMR-STAR saveframe, assigned_chemical_shifts_6
save_assigned_chemical_shifts_6
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_6
_Assigned_chem_shift_list.Entry_ID 52581
_Assigned_chem_shift_list.ID 6
_Assigned_chem_shift_list.Name 'Assigned chemical shifts for HBpep GY23 at pH 6.7'
_Assigned_chem_shift_list.Sample_condition_list_ID 6
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_6
_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
6 '2D 1H-1H NOESY' . . . 52581 6
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 6
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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 8.523 0.020 . 1 . . . . . 3 GLY H . 52581 6
2 . 1 . 1 3 3 GLY HA2 H 1 3.872 0.020 . 1 . . . . . 3 GLY HA2 . 52581 6
3 . 1 . 1 3 3 GLY HA3 H 1 3.872 0.020 . 1 . . . . . 3 GLY HA3 . 52581 6
4 . 1 . 1 4 4 LEU H H 1 8.214 0.020 . 1 . . . . . 4 LEU H . 52581 6
5 . 1 . 1 4 4 LEU HA H 1 4.202 0.020 . 1 . . . . . 4 LEU HA . 52581 6
6 . 1 . 1 4 4 LEU HB2 H 1 1.380 0.020 . 1 . . . . . 4 LEU HB2 . 52581 6
7 . 1 . 1 4 4 LEU HB3 H 1 1.380 0.020 . 1 . . . . . 4 LEU HB3 . 52581 6
8 . 1 . 1 4 4 LEU HG H 1 1.288 0.020 . 1 . . . . . 4 LEU HG . 52581 6
9 . 1 . 1 4 4 LEU HD11 H 1 0.784 0.020 . 1 . . . . . 4 LEU HD1 . 52581 6
10 . 1 . 1 4 4 LEU HD12 H 1 0.784 0.020 . 1 . . . . . 4 LEU HD1 . 52581 6
11 . 1 . 1 4 4 LEU HD13 H 1 0.784 0.020 . 1 . . . . . 4 LEU HD1 . 52581 6
12 . 1 . 1 4 4 LEU HD21 H 1 0.784 0.020 . 1 . . . . . 4 LEU HD2 . 52581 6
13 . 1 . 1 4 4 LEU HD22 H 1 0.784 0.020 . 1 . . . . . 4 LEU HD2 . 52581 6
14 . 1 . 1 4 4 LEU HD23 H 1 0.784 0.020 . 1 . . . . . 4 LEU HD2 . 52581 6
15 . 1 . 1 5 5 TYR H H 1 8.217 0.020 . 1 . . . . . 5 TYR H . 52581 6
16 . 1 . 1 5 5 TYR HA H 1 4.527 0.020 . 1 . . . . . 5 TYR HA . 52581 6
17 . 1 . 1 5 5 TYR HB2 H 1 2.854 0.020 . 2 . . . . . 5 TYR HB2 . 52581 6
18 . 1 . 1 5 5 TYR HB3 H 1 3.043 0.020 . 2 . . . . . 5 TYR HB3 . 52581 6
19 . 1 . 1 5 5 TYR HD1 H 1 7.019 0.020 . 3 . . . . . 5 TYR HD1 . 52581 6
20 . 1 . 1 5 5 TYR HD2 H 1 7.009 0.020 . 3 . . . . . 5 TYR HD2 . 52581 6
21 . 1 . 1 5 5 TYR HE1 H 1 6.770 0.020 . 1 . . . . . 5 TYR HE1 . 52581 6
22 . 1 . 1 5 5 TYR HE2 H 1 6.770 0.020 . 1 . . . . . 5 TYR HE2 . 52581 6
23 . 1 . 1 6 6 GLY H H 1 8.211 0.020 . 1 . . . . . 6 GLY H . 52581 6
24 . 1 . 1 6 6 GLY HA2 H 1 3.816 0.020 . 1 . . . . . 6 GLY HA2 . 52581 6
25 . 1 . 1 6 6 GLY HA3 H 1 3.816 0.020 . 1 . . . . . 6 GLY HA3 . 52581 6
26 . 1 . 1 7 7 ALA H H 1 8.186 0.020 . 1 . . . . . 7 ALA H . 52581 6
27 . 1 . 1 7 7 ALA HA H 1 4.248 0.020 . 1 . . . . . 7 ALA HA . 52581 6
28 . 1 . 1 7 7 ALA HB1 H 1 1.341 0.020 . 1 . . . . . 7 ALA HB . 52581 6
29 . 1 . 1 7 7 ALA HB2 H 1 1.341 0.020 . 1 . . . . . 7 ALA HB . 52581 6
30 . 1 . 1 7 7 ALA HB3 H 1 1.341 0.020 . 1 . . . . . 7 ALA HB . 52581 6
31 . 1 . 1 8 8 GLY H H 1 8.385 0.020 . 1 . . . . . 8 GLY H . 52581 6
32 . 1 . 1 8 8 GLY HA2 H 1 3.813 0.020 . 1 . . . . . 8 GLY HA2 . 52581 6
33 . 1 . 1 8 8 GLY HA3 H 1 3.813 0.020 . 1 . . . . . 8 GLY HA3 . 52581 6
34 . 1 . 1 9 9 PHE H H 1 8.015 0.020 . 1 . . . . . 9 PHE H . 52581 6
35 . 1 . 1 9 9 PHE HA H 1 4.538 0.020 . 1 . . . . . 9 PHE HA . 52581 6
36 . 1 . 1 9 9 PHE HB2 H 1 2.974 0.020 . 2 . . . . . 9 PHE HB2 . 52581 6
37 . 1 . 1 9 9 PHE HB3 H 1 3.056 0.020 . 2 . . . . . 9 PHE HB3 . 52581 6
38 . 1 . 1 9 9 PHE HD1 H 1 7.159 0.020 . 1 . . . . . 9 PHE HD1 . 52581 6
39 . 1 . 1 9 9 PHE HD2 H 1 7.159 0.020 . 1 . . . . . 9 PHE HD2 . 52581 6
40 . 1 . 1 9 9 PHE HE1 H 1 7.250 0.020 . 1 . . . . . 9 PHE HE1 . 52581 6
41 . 1 . 1 9 9 PHE HE2 H 1 7.250 0.020 . 1 . . . . . 9 PHE HE2 . 52581 6
42 . 1 . 1 10 10 ALA H H 1 8.294 0.020 . 1 . . . . . 10 ALA H . 52581 6
43 . 1 . 1 10 10 ALA HA H 1 4.229 0.020 . 1 . . . . . 10 ALA HA . 52581 6
44 . 1 . 1 10 10 ALA HB1 H 1 1.278 0.020 . 1 . . . . . 10 ALA HB . 52581 6
45 . 1 . 1 10 10 ALA HB2 H 1 1.278 0.020 . 1 . . . . . 10 ALA HB . 52581 6
46 . 1 . 1 10 10 ALA HB3 H 1 1.278 0.020 . 1 . . . . . 10 ALA HB . 52581 6
47 . 1 . 1 11 11 GLY H H 1 7.689 0.020 . 1 . . . . . 11 GLY H . 52581 6
48 . 1 . 1 11 11 GLY HA2 H 1 3.812 0.020 . 1 . . . . . 11 GLY HA2 . 52581 6
49 . 1 . 1 11 11 GLY HA3 H 1 3.812 0.020 . 1 . . . . . 11 GLY HA3 . 52581 6
50 . 1 . 1 12 12 HIS H H 1 8.165 0.020 . 1 . . . . . 12 HIS H . 52581 6
51 . 1 . 1 12 12 HIS HA H 1 4.607 0.020 . 1 . . . . . 12 HIS HA . 52581 6
52 . 1 . 1 12 12 HIS HB2 H 1 3.054 0.020 . 2 . . . . . 12 HIS HB2 . 52581 6
53 . 1 . 1 12 12 HIS HB3 H 1 3.163 0.020 . 2 . . . . . 12 HIS HB3 . 52581 6
54 . 1 . 1 12 12 HIS HD2 H 1 7.059 0.020 . 1 . . . . . 12 HIS HD2 . 52581 6
55 . 1 . 1 13 13 GLY H H 1 8.466 0.020 . 1 . . . . . 13 GLY H . 52581 6
56 . 1 . 1 13 13 GLY HA2 H 1 3.871 0.020 . 1 . . . . . 13 GLY HA2 . 52581 6
57 . 1 . 1 13 13 GLY HA3 H 1 3.871 0.020 . 1 . . . . . 13 GLY HA3 . 52581 6
58 . 1 . 1 14 14 LEU H H 1 8.174 0.020 . 1 . . . . . 14 LEU H . 52581 6
59 . 1 . 1 14 14 LEU HA H 1 4.269 0.020 . 1 . . . . . 14 LEU HA . 52581 6
60 . 1 . 1 14 14 LEU HB2 H 1 1.499 0.020 . 1 . . . . . 14 LEU HB2 . 52581 6
61 . 1 . 1 14 14 LEU HB3 H 1 1.499 0.020 . 1 . . . . . 14 LEU HB3 . 52581 6
62 . 1 . 1 14 14 LEU HG H 1 1.429 0.020 . 1 . . . . . 14 LEU HG . 52581 6
63 . 1 . 1 14 14 LEU HD11 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD1 . 52581 6
64 . 1 . 1 14 14 LEU HD12 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD1 . 52581 6
65 . 1 . 1 14 14 LEU HD13 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD1 . 52581 6
66 . 1 . 1 14 14 LEU HD21 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD2 . 52581 6
67 . 1 . 1 14 14 LEU HD22 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD2 . 52581 6
68 . 1 . 1 14 14 LEU HD23 H 1 0.798 0.020 . 1 . . . . . 14 LEU HD2 . 52581 6
69 . 1 . 1 15 15 HIS H H 1 8.374 0.020 . 1 . . . . . 15 HIS H . 52581 6
70 . 1 . 1 15 15 HIS HA H 1 4.598 0.020 . 1 . . . . . 15 HIS HA . 52581 6
71 . 1 . 1 15 15 HIS HB2 H 1 3.032 0.020 . 2 . . . . . 15 HIS HB2 . 52581 6
72 . 1 . 1 15 15 HIS HB3 H 1 3.153 0.020 . 2 . . . . . 15 HIS HB3 . 52581 6
73 . 1 . 1 15 15 HIS HD2 H 1 7.049 0.020 . 1 . . . . . 15 HIS HD2 . 52581 6
74 . 1 . 1 16 16 GLY H H 1 8.254 0.020 . 1 . . . . . 16 GLY H . 52581 6
75 . 1 . 1 16 16 GLY HA2 H 1 3.853 0.020 . 1 . . . . . 16 GLY HA2 . 52581 6
76 . 1 . 1 16 16 GLY HA3 H 1 3.853 0.020 . 1 . . . . . 16 GLY HA3 . 52581 6
77 . 1 . 1 17 17 PHE H H 1 8.154 0.020 . 1 . . . . . 17 PHE H . 52581 6
78 . 1 . 1 17 17 PHE HA H 1 4.557 0.020 . 1 . . . . . 17 PHE HA . 52581 6
79 . 1 . 1 17 17 PHE HB2 H 1 2.976 0.020 . 2 . . . . . 17 PHE HB2 . 52581 6
80 . 1 . 1 17 17 PHE HB3 H 1 3.075 0.020 . 2 . . . . . 17 PHE HB3 . 52581 6
81 . 1 . 1 17 17 PHE HD1 H 1 7.198 0.020 . 1 . . . . . 17 PHE HD1 . 52581 6
82 . 1 . 1 17 17 PHE HD2 H 1 7.198 0.020 . 1 . . . . . 17 PHE HD2 . 52581 6
83 . 1 . 1 17 17 PHE HE1 H 1 7.287 0.020 . 1 . . . . . 17 PHE HE1 . 52581 6
84 . 1 . 1 17 17 PHE HE2 H 1 7.287 0.020 . 1 . . . . . 17 PHE HE2 . 52581 6
85 . 1 . 1 18 18 ALA H H 1 8.345 0.020 . 1 . . . . . 18 ALA H . 52581 6
86 . 1 . 1 18 18 ALA HA H 1 4.247 0.020 . 1 . . . . . 18 ALA HA . 52581 6
87 . 1 . 1 18 18 ALA HB1 H 1 1.291 0.020 . 1 . . . . . 18 ALA HB . 52581 6
88 . 1 . 1 18 18 ALA HB2 H 1 1.291 0.020 . 1 . . . . . 18 ALA HB . 52581 6
89 . 1 . 1 18 18 ALA HB3 H 1 1.291 0.020 . 1 . . . . . 18 ALA HB . 52581 6
90 . 1 . 1 19 19 GLY H H 1 7.806 0.020 . 1 . . . . . 19 GLY H . 52581 6
91 . 1 . 1 19 19 GLY HA2 H 1 3.786 0.020 . 1 . . . . . 19 GLY HA2 . 52581 6
92 . 1 . 1 19 19 GLY HA3 H 1 3.786 0.020 . 1 . . . . . 19 GLY HA3 . 52581 6
93 . 1 . 1 20 20 HIS H H 1 8.155 0.020 . 1 . . . . . 20 HIS H . 52581 6
94 . 1 . 1 20 20 HIS HA H 1 4.617 0.020 . 1 . . . . . 20 HIS HA . 52581 6
95 . 1 . 1 20 20 HIS HB2 H 1 3.063 0.020 . 2 . . . . . 20 HIS HB2 . 52581 6
96 . 1 . 1 20 20 HIS HB3 H 1 3.182 0.020 . 2 . . . . . 20 HIS HB3 . 52581 6
97 . 1 . 1 20 20 HIS HD2 H 1 7.079 0.020 . 1 . . . . . 20 HIS HD2 . 52581 6
98 . 1 . 1 21 21 GLY H H 1 8.416 0.020 . 1 . . . . . 21 GLY H . 52581 6
99 . 1 . 1 21 21 GLY HA2 H 1 3.871 0.020 . 1 . . . . . 21 GLY HA2 . 52581 6
100 . 1 . 1 21 21 GLY HA3 H 1 3.871 0.020 . 1 . . . . . 21 GLY HA3 . 52581 6
101 . 1 . 1 22 22 LEU H H 1 8.105 0.020 . 1 . . . . . 22 LEU H . 52581 6
102 . 1 . 1 22 22 LEU HA H 1 4.258 0.020 . 1 . . . . . 22 LEU HA . 52581 6
103 . 1 . 1 22 22 LEU HB2 H 1 1.449 0.020 . 1 . . . . . 22 LEU HB2 . 52581 6
104 . 1 . 1 22 22 LEU HB3 H 1 1.449 0.020 . 1 . . . . . 22 LEU HB3 . 52581 6
105 . 1 . 1 22 22 LEU HG H 1 1.438 0.020 . 1 . . . . . 22 LEU HG . 52581 6
106 . 1 . 1 22 22 LEU HD11 H 1 0.805 0.020 . 1 . . . . . 22 LEU HD1 . 52581 6
107 . 1 . 1 22 22 LEU HD12 H 1 0.805 0.020 . 1 . . . . . 22 LEU HD1 . 52581 6
108 . 1 . 1 22 22 LEU HD13 H 1 0.805 0.020 . 1 . . . . . 22 LEU HD1 . 52581 6
109 . 1 . 1 22 22 LEU HD21 H 1 0.805 0.020 . 1 . . . . . 22 LEU HD2 . 52581 6
110 . 1 . 1 22 22 LEU HD22 H 1 0.805 0.020 . 1 . . . . . 22 LEU HD2 . 52581 6
111 . 1 . 1 22 22 LEU HD23 H 1 0.805 0.020 . 1 . . . . . 22 LEU HD2 . 52581 6
112 . 1 . 1 23 23 TYR H H 1 7.595 0.020 . 1 . . . . . 23 TYR H . 52581 6
113 . 1 . 1 23 23 TYR HA H 1 4.378 0.020 . 1 . . . . . 23 TYR HA . 52581 6
114 . 1 . 1 23 23 TYR HB2 H 1 2.835 0.020 . 2 . . . . . 23 TYR HB2 . 52581 6
115 . 1 . 1 23 23 TYR HB3 H 1 3.074 0.020 . 2 . . . . . 23 TYR HB3 . 52581 6
116 . 1 . 1 23 23 TYR HD1 H 1 7.048 0.020 . 3 . . . . . 23 TYR HD1 . 52581 6
117 . 1 . 1 23 23 TYR HD2 H 1 7.039 0.020 . 3 . . . . . 23 TYR HD2 . 52581 6
118 . 1 . 1 23 23 TYR HE1 H 1 6.760 0.020 . 1 . . . . . 23 TYR HE1 . 52581 6
119 . 1 . 1 23 23 TYR HE2 H 1 6.760 0.020 . 1 . . . . . 23 TYR HE2 . 52581 6
stop_
save_