Content for NMR-STAR saveframe, "chem_shift_set_1"
save_chem_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chem_shift_set_1
_Assigned_chem_shift_list.Entry_ID 4488
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_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_1 . 4488 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 DC H41 H 1 8.27 0.01 . 1 . . . . . . . . 4488 1
2 . 1 1 1 1 DC H42 H 1 7.14 0.01 . 1 . . . . . . . . 4488 1
3 . 1 1 1 1 DC H5 H 1 5.89 0.005 . 1 . . . . . . . . 4488 1
4 . 1 1 1 1 DC H6 H 1 7.67 0.005 . 1 . . . . . . . . 4488 1
5 . 1 1 1 1 DC H1' H 1 5.79 0.005 . 1 . . . . . . . . 4488 1
6 . 1 1 1 1 DC H2' H 1 2.03 0.005 . 1 . . . . . . . . 4488 1
7 . 1 1 1 1 DC H2'' H 1 2.46 0.005 . 1 . . . . . . . . 4488 1
8 . 1 1 1 1 DC H3' H 1 4.75 0.005 . 1 . . . . . . . . 4488 1
9 . 1 1 1 1 DC H4' H 1 4.11 0.005 . 1 . . . . . . . . 4488 1
10 . 1 1 2 2 DG H1 H 1 13.14 0.01 . 1 . . . . . . . . 4488 1
11 . 1 1 2 2 DG H8 H 1 8.01 0.005 . 1 . . . . . . . . 4488 1
12 . 1 1 2 2 DG H1' H 1 5.92 0.005 . 1 . . . . . . . . 4488 1
13 . 1 1 2 2 DG H2' H 1 2.70 0.005 . 1 . . . . . . . . 4488 1
14 . 1 1 2 2 DG H2'' H 1 2.76 0.005 . 1 . . . . . . . . 4488 1
15 . 1 1 2 2 DG H3' H 1 5.02 0.005 . 1 . . . . . . . . 4488 1
16 . 1 1 2 2 DG H4' H 1 4.41 0.005 . 1 . . . . . . . . 4488 1
17 . 1 1 3 3 DC H41 H 1 8.42 0.01 . 1 . . . . . . . . 4488 1
18 . 1 1 3 3 DC H42 H 1 6.68 0.01 . 1 . . . . . . . . 4488 1
19 . 1 1 3 3 DC H5 H 1 5.44 0.005 . 1 . . . . . . . . 4488 1
20 . 1 1 3 3 DC H6 H 1 7.35 0.005 . 1 . . . . . . . . 4488 1
21 . 1 1 3 3 DC H1' H 1 5.77 0.005 . 1 . . . . . . . . 4488 1
22 . 1 1 3 3 DC H2' H 1 2.14 0.005 . 1 . . . . . . . . 4488 1
23 . 1 1 3 3 DC H2'' H 1 2.47 0.005 . 1 . . . . . . . . 4488 1
24 . 1 1 3 3 DC H3' H 1 4.85 0.005 . 1 . . . . . . . . 4488 1
25 . 1 1 3 3 DC H4' H 1 4.27 0.005 . 1 . . . . . . . . 4488 1
26 . 1 1 4 4 DA H2 H 1 7.77 0.005 . 1 . . . . . . . . 4488 1
27 . 1 1 4 4 DA H8 H 1 8.29 0.005 . 1 . . . . . . . . 4488 1
28 . 1 1 4 4 DA H1' H 1 6.40 0.005 . 1 . . . . . . . . 4488 1
29 . 1 1 4 4 DA H2' H 1 2.83 0.005 . 1 . . . . . . . . 4488 1
30 . 1 1 4 4 DA H2'' H 1 2.83 0.005 . 1 . . . . . . . . 4488 1
31 . 1 1 4 4 DA H3' H 1 4.97 0.005 . 1 . . . . . . . . 4488 1
32 . 1 1 4 4 DA H4' H 1 4.43 0.005 . 1 . . . . . . . . 4488 1
33 . 1 1 5 5 64T H3 H 1 13.14 0.01 . 1 . . . . . . . . 4488 1
34 . 1 1 5 5 64T H61 H 1 4.75 0.005 . 1 . . . . . . . . 4488 1
35 . 1 1 5 5 64T H62 H 1 4.75 0.005 . 1 . . . . . . . . 4488 1
36 . 1 1 5 5 64T H71 H 1 1.26 0.005 . 2 . . . . . . . . 4488 1
37 . 1 1 5 5 64T H72 H 1 1.26 0.005 . 2 . . . . . . . . 4488 1
38 . 1 1 5 5 64T H73 H 1 1.26 0.005 . 2 . . . . . . . . 4488 1
39 . 1 1 5 5 64T H1' H 1 5.54 0.005 . 1 . . . . . . . . 4488 1
40 . 1 1 5 5 64T H2' H 1 0.94 0.005 . 1 . . . . . . . . 4488 1
41 . 1 1 5 5 64T H2'' H 1 1.86 0.005 . 1 . . . . . . . . 4488 1
42 . 1 1 5 5 64T H3' H 1 4.75 0.005 . 1 . . . . . . . . 4488 1
43 . 1 1 5 5 64T H4' H 1 3.90 0.005 . 1 . . . . . . . . 4488 1
44 . 1 1 6 6 DT H6 H 1 7.96 0.005 . 1 . . . . . . . . 4488 1
45 . 1 1 6 6 DT H71 H 1 2.28 0.005 . 2 . . . . . . . . 4488 1
46 . 1 1 6 6 DT H72 H 1 2.28 0.005 . 2 . . . . . . . . 4488 1
47 . 1 1 6 6 DT H73 H 1 2.28 0.005 . 2 . . . . . . . . 4488 1
48 . 1 1 6 6 DT H1' H 1 6.24 0.005 . 1 . . . . . . . . 4488 1
49 . 1 1 6 6 DT H2' H 1 2.64 0.005 . 1 . . . . . . . . 4488 1
50 . 1 1 6 6 DT H2'' H 1 3.03 0.005 . 1 . . . . . . . . 4488 1
51 . 1 1 6 6 DT H3' H 1 5.01 0.005 . 1 . . . . . . . . 4488 1
52 . 1 1 6 6 DT H4' H 1 3.89 0.005 . 1 . . . . . . . . 4488 1
53 . 1 1 7 7 DA H2 H 1 7.83 0.005 . 1 . . . . . . . . 4488 1
54 . 1 1 7 7 DA H8 H 1 8.45 0.005 . 1 . . . . . . . . 4488 1
55 . 1 1 7 7 DA H1' H 1 6.35 0.005 . 1 . . . . . . . . 4488 1
56 . 1 1 7 7 DA H2' H 1 2.82 0.005 . 1 . . . . . . . . 4488 1
57 . 1 1 7 7 DA H2'' H 1 3.00 0.005 . 1 . . . . . . . . 4488 1
58 . 1 1 7 7 DA H3' H 1 5.09 0.005 . 1 . . . . . . . . 4488 1
59 . 1 1 7 7 DA H4' H 1 4.48 0.005 . 1 . . . . . . . . 4488 1
60 . 1 1 8 8 DC H41 H 1 8.34 0.01 . 1 . . . . . . . . 4488 1
61 . 1 1 8 8 DC H42 H 1 6.78 0.01 . 1 . . . . . . . . 4488 1
62 . 1 1 8 8 DC H5 H 1 5.37 0.005 . 1 . . . . . . . . 4488 1
63 . 1 1 8 8 DC H6 H 1 7.33 0.005 . 1 . . . . . . . . 4488 1
64 . 1 1 8 8 DC H1' H 1 5.59 0.005 . 1 . . . . . . . . 4488 1
65 . 1 1 8 8 DC H2' H 1 2.02 0.005 . 1 . . . . . . . . 4488 1
66 . 1 1 8 8 DC H2'' H 1 2.35 0.005 . 1 . . . . . . . . 4488 1
67 . 1 1 8 8 DC H3' H 1 4.88 0.005 . 1 . . . . . . . . 4488 1
68 . 1 1 8 8 DC H4' H 1 4.16 0.005 . 1 . . . . . . . . 4488 1
69 . 1 1 9 9 DG H1 H 1 13.15 0.01 . 1 . . . . . . . . 4488 1
70 . 1 1 9 9 DG H8 H 1 7.89 0.005 . 1 . . . . . . . . 4488 1
71 . 1 1 9 9 DG H1' H 1 5.98 0.005 . 1 . . . . . . . . 4488 1
72 . 1 1 9 9 DG H2' H 1 2.61 0.005 . 1 . . . . . . . . 4488 1
73 . 1 1 9 9 DG H2'' H 1 2.75 0.005 . 1 . . . . . . . . 4488 1
74 . 1 1 9 9 DG H3' H 1 5.01 0.005 . 1 . . . . . . . . 4488 1
75 . 1 1 9 9 DG H4' H 1 4.40 0.005 . 1 . . . . . . . . 4488 1
76 . 1 1 10 10 DC H41 H 1 8.29 0.01 . 1 . . . . . . . . 4488 1
77 . 1 1 10 10 DC H42 H 1 6.65 0.01 . 1 . . . . . . . . 4488 1
78 . 1 1 10 10 DC H5 H 1 5.19 0.005 . 1 . . . . . . . . 4488 1
79 . 1 1 10 10 DC H6 H 1 7.36 0.005 . 1 . . . . . . . . 4488 1
80 . 1 1 10 10 DC H1' H 1 6.16 0.005 . 1 . . . . . . . . 4488 1
81 . 1 1 10 10 DC H2' H 1 2.26 0.005 . 1 . . . . . . . . 4488 1
82 . 1 1 10 10 DC H2'' H 1 2.30 0.005 . 1 . . . . . . . . 4488 1
83 . 1 1 10 10 DC H3' H 1 4.54 0.005 . 1 . . . . . . . . 4488 1
84 . 1 1 10 10 DC H4' H 1 4.04 0.005 . 1 . . . . . . . . 4488 1
stop_
save_