Content for NMR-STAR saveframe, "assigned_chemical_shifts_one"
save_assigned_chemical_shifts_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one
_Assigned_chem_shift_list.Entry_ID 4187
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_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 . 4187 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 DG H1 H 1 12.89 0.003 . 1 . . . . . . . . 4187 1
2 . 1 1 1 1 DG H8 H 1 7.96 0.003 . 1 . . . . . . . . 4187 1
3 . 1 1 1 1 DG H1' H 1 5.99 0.003 . 1 . . . . . . . . 4187 1
4 . 1 1 1 1 DG H2' H 1 2.63 0.003 . 1 . . . . . . . . 4187 1
5 . 1 1 1 1 DG H2'' H 1 2.80 0.003 . 1 . . . . . . . . 4187 1
6 . 1 1 1 1 DG H3' H 1 4.86 0.003 . 1 . . . . . . . . 4187 1
7 . 1 1 1 1 DG H4' H 1 4.25 0.003 . 1 . . . . . . . . 4187 1
8 . 1 1 1 1 DG H5' H 1 3.73 0.003 . 1 . . . . . . . . 4187 1
9 . 1 1 1 1 DG H5'' H 1 3.73 0.003 . 1 . . . . . . . . 4187 1
10 . 1 1 2 2 DC H41 H 1 8.26 0.003 . 1 . . . . . . . . 4187 1
11 . 1 1 2 2 DC H42 H 1 6.41 0.003 . 1 . . . . . . . . 4187 1
12 . 1 1 2 2 DC H6 H 1 7.48 0.003 . 1 . . . . . . . . 4187 1
13 . 1 1 2 2 DC H5 H 1 5.44 0.003 . 1 . . . . . . . . 4187 1
14 . 1 1 2 2 DC H1' H 1 5.70 0.003 . 1 . . . . . . . . 4187 1
15 . 1 1 2 2 DC H2' H 1 2.19 0.003 . 1 . . . . . . . . 4187 1
16 . 1 1 2 2 DC H2'' H 1 2.51 0.003 . 1 . . . . . . . . 4187 1
17 . 1 1 2 2 DC H3' H 1 4.91 0.003 . 1 . . . . . . . . 4187 1
18 . 1 1 3 3 DA H2 H 1 7.66 0.003 . 1 . . . . . . . . 4187 1
19 . 1 1 3 3 DA H62 H 1 6.16 0.003 . 1 . . . . . . . . 4187 1
20 . 1 1 3 3 DA H8 H 1 8.36 0.003 . 1 . . . . . . . . 4187 1
21 . 1 1 3 3 DA H1' H 1 6.31 0.003 . 1 . . . . . . . . 4187 1
22 . 1 1 3 3 DA H2' H 1 2.74 0.003 . 1 . . . . . . . . 4187 1
23 . 1 1 3 3 DA H2'' H 1 3.00 0.003 . 1 . . . . . . . . 4187 1
24 . 1 1 3 3 DA H3' H 1 5.06 0.003 . 1 . . . . . . . . 4187 1
25 . 1 1 3 3 DA H4' H 1 4.47 0.003 . 1 . . . . . . . . 4187 1
26 . 1 1 3 3 DA H5' H 1 4.23 0.003 . 1 . . . . . . . . 4187 1
27 . 1 1 3 3 DA H5'' H 1 4.14 0.003 . 1 . . . . . . . . 4187 1
28 . 1 1 4 4 DT H3 H 1 13.08 0.003 . 1 . . . . . . . . 4187 1
29 . 1 1 4 4 DT H6 H 1 7.19 0.003 . 1 . . . . . . . . 4187 1
30 . 1 1 4 4 DT H71 H 1 1.51 0.003 . 1 . . . . . . . . 4187 1
31 . 1 1 4 4 DT H72 H 1 1.51 0.003 . 1 . . . . . . . . 4187 1
32 . 1 1 4 4 DT H73 H 1 1.51 0.003 . 1 . . . . . . . . 4187 1
33 . 1 1 4 4 DT H1' H 1 5.70 0.003 . 1 . . . . . . . . 4187 1
34 . 1 1 4 4 DT H2' H 1 2.11 0.003 . 1 . . . . . . . . 4187 1
35 . 1 1 4 4 DT H2'' H 1 2.50 0.003 . 1 . . . . . . . . 4187 1
36 . 1 1 4 4 DT H3' H 1 4.90 0.003 . 1 . . . . . . . . 4187 1
37 . 1 1 5 5 DA H2 H 1 7.16 0.003 . 1 . . . . . . . . 4187 1
38 . 1 1 5 5 DA H8 H 1 8.25 0.003 . 1 . . . . . . . . 4187 1
39 . 1 1 5 5 DA H1' H 1 6.21 0.003 . 1 . . . . . . . . 4187 1
40 . 1 1 5 5 DA H2' H 1 2.61 0.003 . 1 . . . . . . . . 4187 1
41 . 1 1 5 5 DA H2'' H 1 2.91 0.003 . 1 . . . . . . . . 4187 1
42 . 1 1 5 5 DA H3' H 1 5.02 0.003 . 1 . . . . . . . . 4187 1
43 . 1 1 5 5 DA H4' H 1 4.43 0.003 . 1 . . . . . . . . 4187 1
44 . 1 1 6 6 DT H3 H 1 13.24 0.003 . 1 . . . . . . . . 4187 1
45 . 1 1 6 6 DT H6 H 1 7.06 0.003 . 1 . . . . . . . . 4187 1
46 . 1 1 6 6 DT H71 H 1 1.35 0.003 . 1 . . . . . . . . 4187 1
47 . 1 1 6 6 DT H72 H 1 1.35 0.003 . 1 . . . . . . . . 4187 1
48 . 1 1 6 6 DT H73 H 1 1.35 0.003 . 1 . . . . . . . . 4187 1
49 . 1 1 6 6 DT H1' H 1 5.70 0.003 . 1 . . . . . . . . 4187 1
50 . 1 1 6 6 DT H2' H 1 1.95 0.003 . 1 . . . . . . . . 4187 1
51 . 1 1 6 6 DT H2'' H 1 2.38 0.003 . 1 . . . . . . . . 4187 1
52 . 1 1 6 6 DT H3' H 1 4.87 0.003 . 1 . . . . . . . . 4187 1
53 . 1 1 7 7 DG H1 H 1 12.09 0.003 . 1 . . . . . . . . 4187 1
54 . 1 1 7 7 DG H21 H 1 7.05 0.003 . 1 . . . . . . . . 4187 1
55 . 1 1 7 7 DG H8 H 1 7.82 0.003 . 1 . . . . . . . . 4187 1
56 . 1 1 7 7 DG H1' H 1 5.60 0.003 . 1 . . . . . . . . 4187 1
57 . 1 1 7 7 DG H2' H 1 2.65 0.003 . 1 . . . . . . . . 4187 1
58 . 1 1 7 7 DG H2'' H 1 2.76 0.003 . 1 . . . . . . . . 4187 1
59 . 1 1 7 7 DG H3' H 1 5.01 0.003 . 1 . . . . . . . . 4187 1
60 . 1 1 7 7 DG H4' H 1 4.35 0.003 . 1 . . . . . . . . 4187 1
61 . 1 1 7 7 DG H5' H 1 4.14 0.003 . 1 . . . . . . . . 4187 1
62 . 1 1 7 7 DG H5'' H 1 4.07 0.003 . 1 . . . . . . . . 4187 1
63 . 1 1 8 8 DA H2 H 1 7.70 0.003 . 1 . . . . . . . . 4187 1
64 . 1 1 8 8 DA H62 H 1 5.79 0.003 . 1 . . . . . . . . 4187 1
65 . 1 1 8 8 DA H8 H 1 8.17 0.003 . 1 . . . . . . . . 4187 1
66 . 1 1 8 8 DA H1' H 1 6.20 0.003 . 1 . . . . . . . . 4187 1
67 . 1 1 8 8 DA H2' H 1 2.60 0.003 . 1 . . . . . . . . 4187 1
68 . 1 1 8 8 DA H2'' H 1 2.89 0.003 . 1 . . . . . . . . 4187 1
69 . 1 1 8 8 DA H3' H 1 5.00 0.003 . 1 . . . . . . . . 4187 1
70 . 1 1 8 8 DA H4' H 1 4.46 0.003 . 1 . . . . . . . . 4187 1
71 . 1 1 9 9 DT H3 H 1 13.32 0.003 . 1 . . . . . . . . 4187 1
72 . 1 1 9 9 DT H6 H 1 7.14 0.003 . 1 . . . . . . . . 4187 1
73 . 1 1 9 9 DT H71 H 1 1.41 0.003 . 1 . . . . . . . . 4187 1
74 . 1 1 9 9 DT H72 H 1 1.41 0.003 . 1 . . . . . . . . 4187 1
75 . 1 1 9 9 DT H73 H 1 1.41 0.003 . 1 . . . . . . . . 4187 1
76 . 1 1 9 9 DT H1' H 1 5.58 0.003 . 1 . . . . . . . . 4187 1
77 . 1 1 9 9 DT H2' H 1 1.93 0.003 . 1 . . . . . . . . 4187 1
78 . 1 1 9 9 DT H2'' H 1 2.29 0.003 . 1 . . . . . . . . 4187 1
79 . 1 1 9 9 DT H4' H 1 4.12 0.003 . 1 . . . . . . . . 4187 1
80 . 1 1 10 10 DA H2 H 1 7.44 0.003 . 1 . . . . . . . . 4187 1
81 . 1 1 10 10 DA H61 H 1 7.69 0.003 . 1 . . . . . . . . 4187 1
82 . 1 1 10 10 DA H62 H 1 6.26 0.003 . 1 . . . . . . . . 4187 1
83 . 1 1 10 10 DA H8 H 1 8.16 0.003 . 1 . . . . . . . . 4187 1
84 . 1 1 10 10 DA H1' H 1 6.07 0.003 . 1 . . . . . . . . 4187 1
85 . 1 1 10 10 DA H2' H 1 2.67 0.003 . 1 . . . . . . . . 4187 1
86 . 1 1 10 10 DA H2'' H 1 2.86 0.003 . 1 . . . . . . . . 4187 1
87 . 1 1 10 10 DA H3' H 1 5.03 0.003 . 1 . . . . . . . . 4187 1
88 . 1 1 10 10 DA H4' H 1 4.40 0.003 . 1 . . . . . . . . 4187 1
89 . 1 1 10 10 DA H5' H 1 4.14 0.003 . 1 . . . . . . . . 4187 1
90 . 1 1 10 10 DA H5'' H 1 4.07 0.003 . 1 . . . . . . . . 4187 1
91 . 1 1 11 11 DG H1 H 1 12.99 0.003 . 1 . . . . . . . . 4187 1
92 . 1 1 11 11 DG H8 H 1 7.69 0.003 . 1 . . . . . . . . 4187 1
93 . 1 1 11 11 DG H1' H 1 6.02 0.003 . 1 . . . . . . . . 4187 1
94 . 1 1 11 11 DG H2' H 1 2.43 0.003 . 1 . . . . . . . . 4187 1
95 . 1 1 11 11 DG H2'' H 1 2.28 0.003 . 1 . . . . . . . . 4187 1
96 . 1 1 11 11 DG H3' H 1 4.64 0.003 . 1 . . . . . . . . 4187 1
97 . 1 1 11 11 DG H4' H 1 4.19 0.003 . 1 . . . . . . . . 4187 1
98 . 1 1 11 11 DG H5' H 1 4.14 0.003 . 1 . . . . . . . . 4187 1
99 . 1 1 11 11 DG H5'' H 1 4.27 0.003 . 1 . . . . . . . . 4187 1
stop_
save_