Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5681
_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
_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 . 5681 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 7.30 . . 1 . . . . . . . . 5681 1
2 . 1 1 1 1 DC H42 H 1 6.77 . . 1 . . . . . . . . 5681 1
3 . 1 1 1 1 DC H6 H 1 7.98 . . 1 . . . . . . . . 5681 1
4 . 1 1 1 1 DC H5 H 1 6.11 . . 1 . . . . . . . . 5681 1
5 . 1 1 1 1 DC H1' H 1 6.49 . . 1 . . . . . . . . 5681 1
6 . 1 1 1 1 DC H2' H 1 2.26 . . 1 . . . . . . . . 5681 1
7 . 1 1 1 1 DC H2'' H 1 2.58 . . 1 . . . . . . . . 5681 1
8 . 1 1 1 1 DC H3' H 1 4.57 . . 1 . . . . . . . . 5681 1
9 . 1 1 1 1 DC H4' H 1 4.65 . . 1 . . . . . . . . 5681 1
10 . 1 1 1 1 DC H5' H 1 4.01 . . 2 . . . . . . . . 5681 1
11 . 1 1 1 1 DC H5'' H 1 4.05 . . 2 . . . . . . . . 5681 1
12 . 1 1 1 1 DC P P 31 -4.21 . . 1 . . . . . . . . 5681 1
13 . 1 1 2 2 DG H1 H 1 13.33 . . 1 . . . . . . . . 5681 1
14 . 1 1 2 2 DG H21 H 1 8.98 . . 1 . . . . . . . . 5681 1
15 . 1 1 2 2 DG H22 H 1 6.47 . . 1 . . . . . . . . 5681 1
16 . 1 1 2 2 DG H8 H 1 8.16 . . 1 . . . . . . . . 5681 1
17 . 1 1 2 2 DG H1' H 1 6.20 . . 1 . . . . . . . . 5681 1
18 . 1 1 2 2 DG H2' H 1 2.83 . . 1 . . . . . . . . 5681 1
19 . 1 1 2 2 DG H2'' H 1 2.96 . . 1 . . . . . . . . 5681 1
20 . 1 1 2 2 DG H3' H 1 5.04 . . 1 . . . . . . . . 5681 1
21 . 1 1 2 2 DG H4' H 1 4.65 . . 1 . . . . . . . . 5681 1
22 . 1 1 2 2 DG H5' H 1 4.07 . . 2 . . . . . . . . 5681 1
23 . 1 1 2 2 DG H5'' H 1 4.23 . . 2 . . . . . . . . 5681 1
24 . 1 1 2 2 DG P P 31 -4.09 . . 1 . . . . . . . . 5681 1
25 . 1 1 3 3 DC H41 H 1 8.67 . . 1 . . . . . . . . 5681 1
26 . 1 1 3 3 DC H42 H 1 6.83 . . 1 . . . . . . . . 5681 1
27 . 1 1 3 3 DC H6 H 1 7.65 . . 1 . . . . . . . . 5681 1
28 . 1 1 3 3 DC H5 H 1 5.60 . . 1 . . . . . . . . 5681 1
29 . 1 1 3 3 DC H1' H 1 6.48 . . 1 . . . . . . . . 5681 1
30 . 1 1 3 3 DC H2' H 1 2.53 . . 1 . . . . . . . . 5681 1
31 . 1 1 3 3 DC H2'' H 1 2.41 . . 1 . . . . . . . . 5681 1
32 . 1 1 3 3 DC H3' H 1 5.11 . . 1 . . . . . . . . 5681 1
33 . 1 1 3 3 DC H4' H 1 4.54 . . 1 . . . . . . . . 5681 1
34 . 1 1 3 3 DC H5' H 1 4.30 . . 2 . . . . . . . . 5681 1
35 . 1 1 3 3 DC H5'' H 1 4.37 . . 2 . . . . . . . . 5681 1
36 . 1 1 3 3 DC P P 31 -3.93 . . 1 . . . . . . . . 5681 1
37 . 1 1 4 4 DT H3 H 1 10.76 . . 1 . . . . . . . . 5681 1
38 . 1 1 4 4 DT H6 H 1 7.09 . . 1 . . . . . . . . 5681 1
39 . 1 1 4 4 DT H71 H 1 1.73 . . 1 . . . . . . . . 5681 1
40 . 1 1 4 4 DT H72 H 1 1.73 . . 1 . . . . . . . . 5681 1
41 . 1 1 4 4 DT H73 H 1 1.73 . . 1 . . . . . . . . 5681 1
42 . 1 1 4 4 DT H1' H 1 5.84 . . 1 . . . . . . . . 5681 1
43 . 1 1 4 4 DT H2' H 1 1.84 . . 1 . . . . . . . . 5681 1
44 . 1 1 4 4 DT H2'' H 1 2.37 . . 1 . . . . . . . . 5681 1
45 . 1 1 4 4 DT H3' H 1 4.60 . . 1 . . . . . . . . 5681 1
46 . 1 1 4 4 DT H4' H 1 3.36 . . 1 . . . . . . . . 5681 1
47 . 1 1 4 4 DT H5' H 1 3.36 . . 2 . . . . . . . . 5681 1
48 . 1 1 4 4 DT H5'' H 1 3.72 . . 2 . . . . . . . . 5681 1
49 . 1 1 4 4 DT P P 31 -3.97 . . 1 . . . . . . . . 5681 1
50 . 1 1 5 5 DC H41 H 1 7.30 . . 1 . . . . . . . . 5681 1
51 . 1 1 5 5 DC H42 H 1 6.77 . . 1 . . . . . . . . 5681 1
52 . 1 1 5 5 DC H6 H 1 7.96 . . 1 . . . . . . . . 5681 1
53 . 1 1 5 5 DC H5 H 1 6.11 . . 1 . . . . . . . . 5681 1
54 . 1 1 5 5 DC H1' H 1 6.50 . . 1 . . . . . . . . 5681 1
55 . 1 1 5 5 DC H2' H 1 2.35 . . 1 . . . . . . . . 5681 1
56 . 1 1 5 5 DC H2'' H 1 2.59 . . 1 . . . . . . . . 5681 1
57 . 1 1 5 5 DC H3' H 1 4.63 . . 1 . . . . . . . . 5681 1
58 . 1 1 5 5 DC H4' H 1 4.63 . . 1 . . . . . . . . 5681 1
59 . 1 1 5 5 DC H5' H 1 4.12 . . 2 . . . . . . . . 5681 1
60 . 1 1 5 5 DC H5'' H 1 4.30 . . 2 . . . . . . . . 5681 1
61 . 1 1 5 5 DC P P 31 -4.18 . . 1 . . . . . . . . 5681 1
62 . 1 1 6 6 DA H61 H 1 8.02 . . 1 . . . . . . . . 5681 1
63 . 1 1 6 6 DA H62 H 1 6.93 . . 1 . . . . . . . . 5681 1
64 . 1 1 6 6 DA H8 H 1 8.65 . . 1 . . . . . . . . 5681 1
65 . 1 1 6 6 DA H2 H 1 8.53 . . 1 . . . . . . . . 5681 1
66 . 1 1 6 6 DA H1' H 1 6.50 . . 1 . . . . . . . . 5681 1
67 . 1 1 6 6 DA H2' H 1 2.92 . . 1 . . . . . . . . 5681 1
68 . 1 1 6 6 DA H2'' H 1 3.18 . . 1 . . . . . . . . 5681 1
69 . 1 1 6 6 DA H3' H 1 5.11 . . 1 . . . . . . . . 5681 1
70 . 1 1 6 6 DA H4' H 1 4.69 . . 1 . . . . . . . . 5681 1
71 . 1 1 6 6 DA H5' H 1 4.12 . . 2 . . . . . . . . 5681 1
72 . 1 1 6 6 DA H5'' H 1 4.30 . . 2 . . . . . . . . 5681 1
73 . 1 1 6 6 DA P P 31 -4.06 . . 1 . . . . . . . . 5681 1
74 . 1 1 7 7 DT H3 H 1 14.10 . . 1 . . . . . . . . 5681 1
75 . 1 1 7 7 DT H6 H 1 7.53 . . 1 . . . . . . . . 5681 1
76 . 1 1 7 7 DT H71 H 1 1.59 . . 1 . . . . . . . . 5681 1
77 . 1 1 7 7 DT H72 H 1 1.59 . . 1 . . . . . . . . 5681 1
78 . 1 1 7 7 DT H73 H 1 1.59 . . 1 . . . . . . . . 5681 1
79 . 1 1 7 7 DT H1' H 1 6.52 . . 1 . . . . . . . . 5681 1
80 . 1 1 7 7 DT H2' H 1 2.53 . . 1 . . . . . . . . 5681 1
81 . 1 1 7 7 DT H2'' H 1 2.44 . . 1 . . . . . . . . 5681 1
82 . 1 1 7 7 DT H3' H 1 5.14 . . 1 . . . . . . . . 5681 1
83 . 1 1 7 7 DT H4' H 1 4.61 . . 1 . . . . . . . . 5681 1
84 . 1 1 7 7 DT H5' H 1 4.38 . . 2 . . . . . . . . 5681 1
85 . 1 1 7 7 DT H5'' H 1 4.38 . . 2 . . . . . . . . 5681 1
86 . 1 1 7 7 DT P P 31 -4.01 . . 1 . . . . . . . . 5681 1
87 . 1 1 8 8 DT H3 H 1 10.87 . . 1 . . . . . . . . 5681 1
88 . 1 1 8 8 DT H6 H 1 7.47 . . 1 . . . . . . . . 5681 1
89 . 1 1 8 8 DT H71 H 1 1.86 . . 1 . . . . . . . . 5681 1
90 . 1 1 8 8 DT H72 H 1 1.86 . . 1 . . . . . . . . 5681 1
91 . 1 1 8 8 DT H73 H 1 1.86 . . 1 . . . . . . . . 5681 1
92 . 1 1 8 8 DT H1' H 1 5.95 . . 1 . . . . . . . . 5681 1
93 . 1 1 8 8 DT H2' H 1 1.93 . . 1 . . . . . . . . 5681 1
94 . 1 1 8 8 DT H2'' H 1 2.42 . . 1 . . . . . . . . 5681 1
95 . 1 1 8 8 DT H3' H 1 4.61 . . 1 . . . . . . . . 5681 1
96 . 1 1 8 8 DT H4' H 1 3.22 . . 1 . . . . . . . . 5681 1
97 . 1 1 8 8 DT H5' H 1 3.51 . . 2 . . . . . . . . 5681 1
98 . 1 1 8 8 DT H5'' H 1 3.69 . . 2 . . . . . . . . 5681 1
99 . 1 1 8 8 DT P P 31 -3.75 . . 1 . . . . . . . . 5681 1
stop_
save_