Content for NMR-STAR saveframe, "assigned_chemical_shifts_three"
save_assigned_chemical_shifts_three
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_three
_Assigned_chem_shift_list.Entry_ID 4165
_Assigned_chem_shift_list.ID 3
_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 . 4165 3
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 . 3 3 1 1 DG H8 H 1 7.80 . . 1 . . . . . . . . 4165 3
2 . 3 3 1 1 DG H1' H 1 5.50 . . 1 . . . . . . . . 4165 3
3 . 3 3 1 1 DG H2' H 1 2.40 . . 1 . . . . . . . . 4165 3
4 . 3 3 1 1 DG H2'' H 1 2.64 . . 1 . . . . . . . . 4165 3
5 . 3 3 1 1 DG H3' H 1 4.77 . . 1 . . . . . . . . 4165 3
6 . 3 3 1 1 DG H4' H 1 4.12 . . 1 . . . . . . . . 4165 3
7 . 3 3 2 2 DA H2 H 1 7.42 . . 1 . . . . . . . . 4165 3
8 . 3 3 2 2 DA H8 H 1 8.13 . . 1 . . . . . . . . 4165 3
9 . 3 3 2 2 DA H1' H 1 5.89 . . 1 . . . . . . . . 4165 3
10 . 3 3 2 2 DA H3' H 1 5.04 . . 1 . . . . . . . . 4165 3
11 . 3 3 2 2 DA H4' H 1 4.39 . . 1 . . . . . . . . 4165 3
12 . 3 3 3 3 DA H2 H 1 7.61 . . 1 . . . . . . . . 4165 3
13 . 3 3 3 3 DA H8 H 1 8.12 . . 1 . . . . . . . . 4165 3
14 . 3 3 3 3 DA H1' H 1 6.20 . . 1 . . . . . . . . 4165 3
15 . 3 3 3 3 DA H2' H 1 2.59 . . 1 . . . . . . . . 4165 3
16 . 3 3 3 3 DA H2'' H 1 2.96 . . 1 . . . . . . . . 4165 3
17 . 3 3 3 3 DA H3' H 1 5.02 . . 1 . . . . . . . . 4165 3
18 . 3 3 3 3 DA H4' H 1 4.48 . . 1 . . . . . . . . 4165 3
19 . 3 3 4 4 DT H3 H 1 13.96 . . 1 . . . . . . . . 4165 3
20 . 3 3 4 4 DT H6 H 1 7.18 . . 1 . . . . . . . . 4165 3
21 . 3 3 4 4 DT H71 H 1 1.16 . . 1 . . . . . . . . 4165 3
22 . 3 3 4 4 DT H72 H 1 1.16 . . 1 . . . . . . . . 4165 3
23 . 3 3 4 4 DT H73 H 1 1.16 . . 1 . . . . . . . . 4165 3
24 . 3 3 4 4 DT H1' H 1 5.91 . . 1 . . . . . . . . 4165 3
25 . 3 3 4 4 DT H2' H 1 2.16 . . 1 . . . . . . . . 4165 3
26 . 3 3 4 4 DT H2'' H 1 2.52 . . 1 . . . . . . . . 4165 3
27 . 3 3 4 4 DT H3' H 1 4.93 . . 1 . . . . . . . . 4165 3
28 . 3 3 4 4 DT H4' H 1 4.28 . . 1 . . . . . . . . 4165 3
29 . 3 3 5 5 DT H3 H 1 13.94 . . 1 . . . . . . . . 4165 3
30 . 3 3 5 5 DT H6 H 1 6.71 . . 1 . . . . . . . . 4165 3
31 . 3 3 5 5 DT H71 H 1 1.38 . . 1 . . . . . . . . 4165 3
32 . 3 3 5 5 DT H72 H 1 1.38 . . 1 . . . . . . . . 4165 3
33 . 3 3 5 5 DT H73 H 1 1.38 . . 1 . . . . . . . . 4165 3
34 . 3 3 5 5 DT H1' H 1 6.15 . . 1 . . . . . . . . 4165 3
35 . 3 3 5 5 DT H3' H 1 4.89 . . 1 . . . . . . . . 4165 3
36 . 3 3 5 5 DT H4' H 1 4.22 . . 1 . . . . . . . . 4165 3
37 . 3 3 6 6 DT H3 H 1 13.55 . . 1 . . . . . . . . 4165 3
38 . 3 3 6 6 DT H6 H 1 6.57 . . 1 . . . . . . . . 4165 3
39 . 3 3 6 6 DT H71 H 1 0.42 . . 1 . . . . . . . . 4165 3
40 . 3 3 6 6 DT H72 H 1 0.42 . . 1 . . . . . . . . 4165 3
41 . 3 3 6 6 DT H73 H 1 0.42 . . 1 . . . . . . . . 4165 3
42 . 3 3 6 6 DT H1' H 1 5.90 . . 1 . . . . . . . . 4165 3
43 . 3 3 6 6 DT H2' H 1 1.92 . . 1 . . . . . . . . 4165 3
44 . 3 3 6 6 DT H2'' H 1 2.68 . . 1 . . . . . . . . 4165 3
45 . 3 3 6 6 DT H3' H 1 5.10 . . 1 . . . . . . . . 4165 3
46 . 3 3 6 6 DT H4' H 1 4.21 . . 1 . . . . . . . . 4165 3
47 . 3 3 7 7 DA H2 H 1 7.27 . . 1 . . . . . . . . 4165 3
48 . 3 3 7 7 DA H8 H 1 8.97 . . 1 . . . . . . . . 4165 3
49 . 3 3 7 7 DA H1' H 1 6.11 . . 1 . . . . . . . . 4165 3
50 . 3 3 7 7 DA H2' H 1 2.80 . . 1 . . . . . . . . 4165 3
51 . 3 3 7 7 DA H2'' H 1 2.96 . . 1 . . . . . . . . 4165 3
52 . 3 3 7 7 DA H3' H 1 5.15 . . 1 . . . . . . . . 4165 3
53 . 3 3 7 7 DA H4' H 1 4.52 . . 1 . . . . . . . . 4165 3
54 . 3 3 8 8 DC H5 H 1 3.42 . . 1 . . . . . . . . 4165 3
55 . 3 3 8 8 DC H6 H 1 6.39 . . 1 . . . . . . . . 4165 3
56 . 3 3 8 8 DC H1' H 1 5.54 . . 1 . . . . . . . . 4165 3
57 . 3 3 8 8 DC H2' H 1 1.87 . . 1 . . . . . . . . 4165 3
58 . 3 3 8 8 DC H2'' H 1 2.38 . . 1 . . . . . . . . 4165 3
59 . 3 3 8 8 DC H4' H 1 4.23 . . 1 . . . . . . . . 4165 3
60 . 3 3 9 9 DT H3 H 1 12.88 . . 1 . . . . . . . . 4165 3
61 . 3 3 9 9 DT H6 H 1 7.25 . . 1 . . . . . . . . 4165 3
62 . 3 3 9 9 DT H71 H 1 1.50 . . 1 . . . . . . . . 4165 3
63 . 3 3 9 9 DT H72 H 1 1.50 . . 1 . . . . . . . . 4165 3
64 . 3 3 9 9 DT H73 H 1 1.50 . . 1 . . . . . . . . 4165 3
65 . 3 3 9 9 DT H1' H 1 5.89 . . 1 . . . . . . . . 4165 3
66 . 3 3 9 9 DT H2' H 1 2.18 . . 1 . . . . . . . . 4165 3
67 . 3 3 9 9 DT H2'' H 1 2.68 . . 1 . . . . . . . . 4165 3
68 . 3 3 9 9 DT H3' H 1 4.81 . . 1 . . . . . . . . 4165 3
69 . 3 3 9 9 DT H4' H 1 4.11 . . 1 . . . . . . . . 4165 3
70 . 3 3 10 10 DA H2 H 1 6.89 . . 1 . . . . . . . . 4165 3
71 . 3 3 10 10 DA H8 H 1 8.11 . . 1 . . . . . . . . 4165 3
72 . 3 3 10 10 DA H1' H 1 5.60 . . 1 . . . . . . . . 4165 3
73 . 3 3 10 10 DA H3' H 1 4.92 . . 1 . . . . . . . . 4165 3
74 . 3 3 10 10 DA H4' H 1 4.28 . . 1 . . . . . . . . 4165 3
75 . 3 3 11 11 DC H5 H 1 5.06 . . 1 . . . . . . . . 4165 3
76 . 3 3 11 11 DC H6 H 1 7.38 . . 1 . . . . . . . . 4165 3
77 . 3 3 11 11 DC H1' H 1 5.81 . . 1 . . . . . . . . 4165 3
78 . 3 3 11 11 DC H2' H 1 1.97 . . 1 . . . . . . . . 4165 3
79 . 3 3 11 11 DC H2'' H 1 2.40 . . 1 . . . . . . . . 4165 3
80 . 3 3 11 11 DC H3' H 1 4.58 . . 1 . . . . . . . . 4165 3
81 . 3 3 11 11 DC H4' H 1 4.12 . . 1 . . . . . . . . 4165 3
82 . 3 3 12 12 DT H3 H 1 13.98 . . 1 . . . . . . . . 4165 3
83 . 3 3 12 12 DT H6 H 1 7.47 . . 1 . . . . . . . . 4165 3
84 . 3 3 12 12 DT H71 H 1 1.55 . . 1 . . . . . . . . 4165 3
85 . 3 3 12 12 DT H72 H 1 1.55 . . 1 . . . . . . . . 4165 3
86 . 3 3 12 12 DT H73 H 1 1.55 . . 1 . . . . . . . . 4165 3
87 . 3 3 12 12 DT H1' H 1 6.11 . . 1 . . . . . . . . 4165 3
88 . 3 3 12 12 DT H2' H 1 2.16 . . 1 . . . . . . . . 4165 3
89 . 3 3 12 12 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4165 3
90 . 3 3 12 12 DT H3' H 1 4.90 . . 1 . . . . . . . . 4165 3
91 . 3 3 12 12 DT H4' H 1 4.12 . . 1 . . . . . . . . 4165 3
92 . 3 3 13 13 DC H5 H 1 5.76 . . 1 . . . . . . . . 4165 3
93 . 3 3 13 13 DC H6 H 1 7.61 . . 1 . . . . . . . . 4165 3
94 . 3 3 13 13 DC H1' H 1 6.24 . . 1 . . . . . . . . 4165 3
95 . 3 3 13 13 DC H3' H 1 4.55 . . 1 . . . . . . . . 4165 3
96 . 3 3 13 13 DC H4' H 1 3.99 . . 1 . . . . . . . . 4165 3
stop_
save_