Content for NMR-STAR saveframe, "chemical_shifts_2"
save_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 4733
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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_1 . 4733 2
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 . 2 2 1 1 DG H8 H 1 7.85 0.01 . 1 . . . . . . . . 4733 2
2 . 2 2 1 1 DG H1' H 1 5.71 0.01 . 1 . . . . . . . . 4733 2
3 . 2 2 1 1 DG H2' H 1 2.53 0.01 . 1 . . . . . . . . 4733 2
4 . 2 2 1 1 DG H2'' H 1 2.71 0.01 . 1 . . . . . . . . 4733 2
5 . 2 2 1 1 DG H3' H 1 4.83 0.01 . 1 . . . . . . . . 4733 2
6 . 2 2 1 1 DG H4' H 1 4.19 0.01 . 1 . . . . . . . . 4733 2
7 . 2 2 2 2 DG H1 H 1 13.00 0.01 . 1 . . . . . . . . 4733 2
8 . 2 2 2 2 DG H8 H 1 7.84 0.01 . 1 . . . . . . . . 4733 2
9 . 2 2 2 2 DG H1' H 1 5.95 0.01 . 1 . . . . . . . . 4733 2
10 . 2 2 2 2 DG H2' H 1 2.73 0.01 . 1 . . . . . . . . 4733 2
11 . 2 2 2 2 DG H2'' H 1 2.73 0.01 . 1 . . . . . . . . 4733 2
12 . 2 2 2 2 DG H3' H 1 5.00 0.01 . 1 . . . . . . . . 4733 2
13 . 2 2 2 2 DG H4' H 1 4.43 0.01 . 1 . . . . . . . . 4733 2
14 . 2 2 3 3 DC H41 H 1 6.41 0.01 . 1 . . . . . . . . 4733 2
15 . 2 2 3 3 DC H42 H 1 8.09 0.01 . 1 . . . . . . . . 4733 2
16 . 2 2 3 3 DC H5 H 1 5.30 0.01 . 1 . . . . . . . . 4733 2
17 . 2 2 3 3 DC H6 H 1 7.42 0.01 . 1 . . . . . . . . 4733 2
18 . 2 2 3 3 DC H1' H 1 6.00 0.01 . 1 . . . . . . . . 4733 2
19 . 2 2 3 3 DC H2' H 1 2.08 0.01 . 1 . . . . . . . . 4733 2
20 . 2 2 3 3 DC H2'' H 1 2.51 0.01 . 1 . . . . . . . . 4733 2
21 . 2 2 3 3 DC H3' H 1 4.95 0.01 . 1 . . . . . . . . 4733 2
22 . 2 2 3 3 DC H4' H 1 4.26 0.01 . 1 . . . . . . . . 4733 2
23 . 2 2 4 4 DT H3 H 1 13.80 0.01 . 1 . . . . . . . . 4733 2
24 . 2 2 4 4 DT H6 H 1 7.39 0.01 . 1 . . . . . . . . 4733 2
25 . 2 2 4 4 DT H71 H 1 1.54 0.01 . 2 . . . . . . . . 4733 2
26 . 2 2 4 4 DT H72 H 1 1.54 0.01 . 2 . . . . . . . . 4733 2
27 . 2 2 4 4 DT H73 H 1 1.54 0.01 . 2 . . . . . . . . 4733 2
28 . 2 2 4 4 DT H1' H 1 6.05 0.01 . 1 . . . . . . . . 4733 2
29 . 2 2 4 4 DT H2' H 1 2.10 0.01 . 1 . . . . . . . . 4733 2
30 . 2 2 4 4 DT H2'' H 1 2.49 0.01 . 1 . . . . . . . . 4733 2
31 . 2 2 4 4 DT H3' H 1 4.87 0.01 . 1 . . . . . . . . 4733 2
32 . 2 2 4 4 DT H4' H 1 4.19 0.01 . 1 . . . . . . . . 4733 2
33 . 2 2 5 5 DC H41 H 1 6.80 0.01 . 1 . . . . . . . . 4733 2
34 . 2 2 5 5 DC H42 H 1 8.00 0.01 . 1 . . . . . . . . 4733 2
35 . 2 2 5 5 DC H5 H 1 5.63 0.01 . 1 . . . . . . . . 4733 2
36 . 2 2 5 5 DC H6 H 1 7.50 0.01 . 1 . . . . . . . . 4733 2
37 . 2 2 5 5 DC H1' H 1 6.18 0.01 . 1 . . . . . . . . 4733 2
38 . 2 2 5 5 DC H2' H 1 2.04 0.01 . 1 . . . . . . . . 4733 2
39 . 2 2 5 5 DC H2'' H 1 2.04 0.01 . 1 . . . . . . . . 4733 2
40 . 2 2 5 5 DC H3' H 1 4.95 0.01 . 1 . . . . . . . . 4733 2
41 . 2 2 5 5 DC H4' H 1 4.29 0.01 . 1 . . . . . . . . 4733 2
42 . 2 2 6 6 DA H2 H 1 7.26 0.01 . 1 . . . . . . . . 4733 2
43 . 2 2 6 6 DA H8 H 1 8.45 0.01 . 1 . . . . . . . . 4733 2
44 . 2 2 6 6 DA H1' H 1 6.05 0.01 . 1 . . . . . . . . 4733 2
45 . 2 2 6 6 DA H2' H 1 2.88 0.01 . 1 . . . . . . . . 4733 2
46 . 2 2 6 6 DA H2'' H 1 2.99 0.01 . 1 . . . . . . . . 4733 2
47 . 2 2 6 6 DA H3' H 1 5.07 0.01 . 1 . . . . . . . . 4733 2
48 . 2 2 6 6 DA H4' H 1 4.46 0.01 . 1 . . . . . . . . 4733 2
49 . 2 2 7 7 DA H2 H 1 7.75 0.01 . 1 . . . . . . . . 4733 2
50 . 2 2 7 7 DA H8 H 1 8.21 0.01 . 1 . . . . . . . . 4733 2
51 . 2 2 7 7 DA H1' H 1 6.16 0.01 . 1 . . . . . . . . 4733 2
52 . 2 2 7 7 DA H2' H 1 2.64 0.01 . 1 . . . . . . . . 4733 2
53 . 2 2 7 7 DA H2'' H 1 2.90 0.01 . 1 . . . . . . . . 4733 2
54 . 2 2 7 7 DA H3' H 1 5.01 0.01 . 1 . . . . . . . . 4733 2
55 . 2 2 7 7 DA H4' H 1 4.43 0.01 . 1 . . . . . . . . 4733 2
56 . 2 2 8 8 DT H3 H 1 13.13 0.01 . 1 . . . . . . . . 4733 2
57 . 2 2 8 8 DT H6 H 1 7.15 0.01 . 1 . . . . . . . . 4733 2
58 . 2 2 8 8 DT H71 H 1 1.39 0.01 . 2 . . . . . . . . 4733 2
59 . 2 2 8 8 DT H72 H 1 1.39 0.01 . 2 . . . . . . . . 4733 2
60 . 2 2 8 8 DT H73 H 1 1.39 0.01 . 2 . . . . . . . . 4733 2
61 . 2 2 8 8 DT H1' H 1 5.66 0.01 . 1 . . . . . . . . 4733 2
62 . 2 2 8 8 DT H2' H 1 2.12 0.01 . 1 . . . . . . . . 4733 2
63 . 2 2 8 8 DT H2'' H 1 2.49 0.01 . 1 . . . . . . . . 4733 2
64 . 2 2 8 8 DT H3' H 1 4.86 0.01 . 1 . . . . . . . . 4733 2
65 . 2 2 8 8 DT H4' H 1 4.19 0.01 . 1 . . . . . . . . 4733 2
66 . 2 2 9 9 DA H2 H 1 7.30 0.01 . 1 . . . . . . . . 4733 2
67 . 2 2 9 9 DA H8 H 1 8.25 0.01 . 1 . . . . . . . . 4733 2
68 . 2 2 9 9 DA H1' H 1 6.25 0.01 . 1 . . . . . . . . 4733 2
69 . 2 2 9 9 DA H2' H 1 2.64 0.01 . 1 . . . . . . . . 4733 2
70 . 2 2 9 9 DA H2'' H 1 2.92 0.01 . 1 . . . . . . . . 4733 2
71 . 2 2 9 9 DA H3' H 1 5.00 0.01 . 1 . . . . . . . . 4733 2
72 . 2 2 9 9 DA H4' H 1 4.41 0.01 . 1 . . . . . . . . 4733 2
73 . 2 2 10 10 DT H3 H 1 13.55 0.01 . 1 . . . . . . . . 4733 2
74 . 2 2 10 10 DT H6 H 1 7.20 0.01 . 1 . . . . . . . . 4733 2
75 . 2 2 10 10 DT H71 H 1 1.35 0.01 . 2 . . . . . . . . 4733 2
76 . 2 2 10 10 DT H72 H 1 1.35 0.01 . 2 . . . . . . . . 4733 2
77 . 2 2 10 10 DT H73 H 1 1.35 0.01 . 2 . . . . . . . . 4733 2
78 . 2 2 10 10 DT H1' H 1 5.94 0.01 . 1 . . . . . . . . 4733 2
79 . 2 2 10 10 DT H2' H 1 2.02 0.01 . 1 . . . . . . . . 4733 2
80 . 2 2 10 10 DT H2'' H 1 2.43 0.01 . 1 . . . . . . . . 4733 2
81 . 2 2 10 10 DT H3' H 1 4.86 0.01 . 1 . . . . . . . . 4733 2
82 . 2 2 10 10 DT H4' H 1 4.19 0.01 . 1 . . . . . . . . 4733 2
83 . 2 2 11 11 DC H41 H 1 6.93 0.01 . 1 . . . . . . . . 4733 2
84 . 2 2 11 11 DC H42 H 1 8.52 0.01 . 1 . . . . . . . . 4733 2
85 . 2 2 11 11 DC H5 H 1 5.66 0.01 . 1 . . . . . . . . 4733 2
86 . 2 2 11 11 DC H6 H 1 7.47 0.01 . 1 . . . . . . . . 4733 2
87 . 2 2 11 11 DC H1' H 1 5.73 0.01 . 1 . . . . . . . . 4733 2
88 . 2 2 11 11 DC H2' H 1 2.02 0.01 . 1 . . . . . . . . 4733 2
89 . 2 2 11 11 DC H2'' H 1 2.38 0.01 . 1 . . . . . . . . 4733 2
90 . 2 2 11 11 DC H3' H 1 4.84 0.01 . 1 . . . . . . . . 4733 2
91 . 2 2 11 11 DC H4' H 1 4.13 0.01 . 1 . . . . . . . . 4733 2
92 . 2 2 12 12 DG H8 H 1 7.94 0.01 . 1 . . . . . . . . 4733 2
93 . 2 2 12 12 DG H1' H 1 6.16 0.01 . 1 . . . . . . . . 4733 2
94 . 2 2 12 12 DG H2' H 1 2.62 0.01 . 1 . . . . . . . . 4733 2
95 . 2 2 12 12 DG H2'' H 1 2.38 0.01 . 1 . . . . . . . . 4733 2
96 . 2 2 12 12 DG H3' H 1 4.69 0.01 . 1 . . . . . . . . 4733 2
97 . 2 2 12 12 DG H4' H 1 4.19 0.01 . 1 . . . . . . . . 4733 2
stop_
save_