Content for NMR-STAR saveframe, "chemical_shift_assignment_data_set_one"
save_chemical_shift_assignment_data_set_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode 'chemical_shift_assignment_data_set_one'
_Assigned_chem_shift_list.Entry_ID 1697
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_condition_set_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_reference_par_set_one
_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 $sample_one . 1697 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_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.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 1 1 PCA H H 1 7.84 . . 1 . . . . . . . . 1697 1
2 . 1 1 1 1 PCA HA H 1 4.33 . . 1 . . . . . . . . 1697 1
3 . 1 1 1 1 PCA HB3 H 1 2.5 . . 2 . . . . . . . . 1697 1
4 . 1 1 1 1 PCA HB2 H 1 1.89 . . 2 . . . . . . . . 1697 1
5 . 1 1 1 1 PCA HG3 H 1 2.41 . . 1 . . . . . . . . 1697 1
6 . 1 1 1 1 PCA HG2 H 1 2.41 . . 1 . . . . . . . . 1697 1
7 . 1 1 2 2 LEU H H 1 8.28 . . 1 . . . . . . . . 1697 1
8 . 1 1 2 2 LEU HA H 1 4.3 . . 1 . . . . . . . . 1697 1
9 . 1 1 2 2 LEU HB2 H 1 1.6 . . 2 . . . . . . . . 1697 1
10 . 1 1 2 2 LEU HB3 H 1 1.53 . . 2 . . . . . . . . 1697 1
11 . 1 1 2 2 LEU HG H 1 1.42 . . 1 . . . . . . . . 1697 1
12 . 1 1 2 2 LEU HD11 H 1 .83 . . 2 . . . . . . . . 1697 1
13 . 1 1 2 2 LEU HD12 H 1 .83 . . 2 . . . . . . . . 1697 1
14 . 1 1 2 2 LEU HD13 H 1 .83 . . 2 . . . . . . . . 1697 1
15 . 1 1 2 2 LEU HD21 H 1 .88 . . 2 . . . . . . . . 1697 1
16 . 1 1 2 2 LEU HD22 H 1 .88 . . 2 . . . . . . . . 1697 1
17 . 1 1 2 2 LEU HD23 H 1 .88 . . 2 . . . . . . . . 1697 1
18 . 1 1 3 3 TYR H H 1 8.24 . . 1 . . . . . . . . 1697 1
19 . 1 1 3 3 TYR HA H 1 4.58 . . 1 . . . . . . . . 1697 1
20 . 1 1 3 3 TYR HB2 H 1 2.97 . . 2 . . . . . . . . 1697 1
21 . 1 1 3 3 TYR HB3 H 1 3.06 . . 2 . . . . . . . . 1697 1
22 . 1 1 3 3 TYR HD1 H 1 7.13 . . 1 . . . . . . . . 1697 1
23 . 1 1 3 3 TYR HD2 H 1 7.13 . . 1 . . . . . . . . 1697 1
24 . 1 1 3 3 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 1697 1
25 . 1 1 3 3 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 1697 1
26 . 1 1 4 4 GLU H H 1 8.22 . . 1 . . . . . . . . 1697 1
27 . 1 1 4 4 GLU HA H 1 4.3 . . 1 . . . . . . . . 1697 1
28 . 1 1 4 4 GLU HB2 H 1 1.9 . . 2 . . . . . . . . 1697 1
29 . 1 1 4 4 GLU HB3 H 1 2.05 . . 2 . . . . . . . . 1697 1
30 . 1 1 4 4 GLU HG2 H 1 2.33 . . 1 . . . . . . . . 1697 1
31 . 1 1 4 4 GLU HG3 H 1 2.33 . . 1 . . . . . . . . 1697 1
32 . 1 1 4 4 GLU HE2 H 1 6.69 . . 1 . . . . . . . . 1697 1
33 . 1 1 5 5 ASN H H 1 8.42 . . 1 . . . . . . . . 1697 1
34 . 1 1 5 5 ASN HA H 1 4.63 . . 1 . . . . . . . . 1697 1
35 . 1 1 5 5 ASN HB2 H 1 2.75 . . 2 . . . . . . . . 1697 1
36 . 1 1 5 5 ASN HB3 H 1 2.82 . . 2 . . . . . . . . 1697 1
37 . 1 1 5 5 ASN HD21 H 1 6.93 . . 2 . . . . . . . . 1697 1
38 . 1 1 5 5 ASN HD22 H 1 7.6 . . 2 . . . . . . . . 1697 1
39 . 1 1 6 6 LYS H H 1 8.14 . . 1 . . . . . . . . 1697 1
40 . 1 1 6 6 LYS HA H 1 4.62 . . 1 . . . . . . . . 1697 1
41 . 1 1 6 6 LYS HB2 H 1 1.7 . . 2 . . . . . . . . 1697 1
42 . 1 1 6 6 LYS HB3 H 1 1.82 . . 2 . . . . . . . . 1697 1
43 . 1 1 6 6 LYS HG2 H 1 1.45 . . 1 . . . . . . . . 1697 1
44 . 1 1 6 6 LYS HG3 H 1 1.45 . . 1 . . . . . . . . 1697 1
45 . 1 1 6 6 LYS HD2 H 1 1.69 . . 1 . . . . . . . . 1697 1
46 . 1 1 6 6 LYS HD3 H 1 1.69 . . 1 . . . . . . . . 1697 1
47 . 1 1 6 6 LYS HE2 H 1 3 . . 1 . . . . . . . . 1697 1
48 . 1 1 6 6 LYS HE3 H 1 3 . . 1 . . . . . . . . 1697 1
49 . 1 1 6 6 LYS HZ1 H 1 7.54 . . 1 . . . . . . . . 1697 1
50 . 1 1 6 6 LYS HZ2 H 1 7.54 . . 1 . . . . . . . . 1697 1
51 . 1 1 6 6 LYS HZ3 H 1 7.54 . . 1 . . . . . . . . 1697 1
52 . 1 1 7 7 PRO HA H 1 4.38 . . 1 . . . . . . . . 1697 1
53 . 1 1 7 7 PRO HB2 H 1 1.84 . . 2 . . . . . . . . 1697 1
54 . 1 1 7 7 PRO HB3 H 1 2.23 . . 2 . . . . . . . . 1697 1
55 . 1 1 7 7 PRO HG2 H 1 1.99 . . 1 . . . . . . . . 1697 1
56 . 1 1 7 7 PRO HG3 H 1 1.99 . . 1 . . . . . . . . 1697 1
57 . 1 1 7 7 PRO HD2 H 1 3.62 . . 2 . . . . . . . . 1697 1
58 . 1 1 7 7 PRO HD3 H 1 3.78 . . 2 . . . . . . . . 1697 1
59 . 1 1 8 8 ARG H H 1 8.49 . . 1 . . . . . . . . 1697 1
60 . 1 1 8 8 ARG HA H 1 4.29 . . 1 . . . . . . . . 1697 1
61 . 1 1 8 8 ARG HB2 H 1 1.79 . . 2 . . . . . . . . 1697 1
62 . 1 1 8 8 ARG HB3 H 1 1.75 . . 2 . . . . . . . . 1697 1
63 . 1 1 8 8 ARG HG2 H 1 1.67 . . 1 . . . . . . . . 1697 1
64 . 1 1 8 8 ARG HG3 H 1 1.67 . . 1 . . . . . . . . 1697 1
65 . 1 1 8 8 ARG HD2 H 1 3.21 . . 1 . . . . . . . . 1697 1
66 . 1 1 8 8 ARG HD3 H 1 3.21 . . 1 . . . . . . . . 1697 1
67 . 1 1 8 8 ARG HE H 1 7.19 . . 1 . . . . . . . . 1697 1
68 . 1 1 9 9 ARG H H 1 8.33 . . 1 . . . . . . . . 1697 1
69 . 1 1 9 9 ARG HA H 1 4.62 . . 1 . . . . . . . . 1697 1
70 . 1 1 9 9 ARG HB2 H 1 1.7 . . 2 . . . . . . . . 1697 1
71 . 1 1 9 9 ARG HB3 H 1 1.8 . . 2 . . . . . . . . 1697 1
72 . 1 1 9 9 ARG HG2 H 1 1.65 . . 1 . . . . . . . . 1697 1
73 . 1 1 9 9 ARG HG3 H 1 1.65 . . 1 . . . . . . . . 1697 1
74 . 1 1 9 9 ARG HD2 H 1 3.21 . . 1 . . . . . . . . 1697 1
75 . 1 1 9 9 ARG HD3 H 1 3.21 . . 1 . . . . . . . . 1697 1
76 . 1 1 9 9 ARG HE H 1 7.19 . . 1 . . . . . . . . 1697 1
77 . 1 1 10 10 PRO HA H 1 4.42 . . 1 . . . . . . . . 1697 1
78 . 1 1 10 10 PRO HB2 H 1 1.84 . . 2 . . . . . . . . 1697 1
79 . 1 1 10 10 PRO HB3 H 1 2.28 . . 2 . . . . . . . . 1697 1
80 . 1 1 10 10 PRO HG2 H 1 1.99 . . 1 . . . . . . . . 1697 1
81 . 1 1 10 10 PRO HG3 H 1 1.99 . . 1 . . . . . . . . 1697 1
82 . 1 1 10 10 PRO HD2 H 1 3.62 . . 2 . . . . . . . . 1697 1
83 . 1 1 10 10 PRO HD3 H 1 3.8 . . 2 . . . . . . . . 1697 1
84 . 1 1 11 11 TYR H H 1 8.09 . . 1 . . . . . . . . 1697 1
85 . 1 1 11 11 TYR HA H 1 4.58 . . 1 . . . . . . . . 1697 1
86 . 1 1 11 11 TYR HB2 H 1 3.01 . . 1 . . . . . . . . 1697 1
87 . 1 1 11 11 TYR HB3 H 1 3.01 . . 1 . . . . . . . . 1697 1
88 . 1 1 11 11 TYR HD1 H 1 7.13 . . 1 . . . . . . . . 1697 1
89 . 1 1 11 11 TYR HD2 H 1 7.13 . . 1 . . . . . . . . 1697 1
90 . 1 1 11 11 TYR HE1 H 1 6.84 . . 1 . . . . . . . . 1697 1
91 . 1 1 11 11 TYR HE2 H 1 6.84 . . 1 . . . . . . . . 1697 1
92 . 1 1 12 12 ILE H H 1 7.96 . . 1 . . . . . . . . 1697 1
93 . 1 1 12 12 ILE HA H 1 4.15 . . 1 . . . . . . . . 1697 1
94 . 1 1 12 12 ILE HD11 H 1 .83 . . 1 . . . . . . . . 1697 1
95 . 1 1 12 12 ILE HD12 H 1 .83 . . 1 . . . . . . . . 1697 1
96 . 1 1 12 12 ILE HD13 H 1 .83 . . 1 . . . . . . . . 1697 1
97 . 1 1 13 13 LEU H H 1 8.07 . . 1 . . . . . . . . 1697 1
98 . 1 1 13 13 LEU HA H 1 4.26 . . 1 . . . . . . . . 1697 1
99 . 1 1 13 13 LEU HB2 H 1 1.47 . . 2 . . . . . . . . 1697 1
100 . 1 1 13 13 LEU HB3 H 1 1.62 . . 2 . . . . . . . . 1697 1
101 . 1 1 13 13 LEU HG H 1 1.38 . . 1 . . . . . . . . 1697 1
102 . 1 1 13 13 LEU HD11 H 1 .89 . . 2 . . . . . . . . 1697 1
103 . 1 1 13 13 LEU HD12 H 1 .89 . . 2 . . . . . . . . 1697 1
104 . 1 1 13 13 LEU HD13 H 1 .89 . . 2 . . . . . . . . 1697 1
105 . 1 1 13 13 LEU HD21 H 1 .93 . . 2 . . . . . . . . 1697 1
106 . 1 1 13 13 LEU HD22 H 1 .93 . . 2 . . . . . . . . 1697 1
107 . 1 1 13 13 LEU HD23 H 1 .93 . . 2 . . . . . . . . 1697 1
stop_
save_