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 4416
_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_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 . 4416 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 H8 H 1 7.92 . . 1 . . . . . . . . 4416 1
2 . 1 1 1 1 DG H1' H 1 5.95 . . 1 . . . . . . . . 4416 1
3 . 1 1 1 1 DG H2' H 1 2.74 . . 5 . . . . . . . . 4416 1
4 . 1 1 1 1 DG H2'' H 1 2.62 . . 5 . . . . . . . . 4416 1
5 . 1 1 1 1 DG H3' H 1 5.06 . . 1 . . . . . . . . 4416 1
6 . 1 1 1 1 DG H4' H 1 4.13 . . 5 . . . . . . . . 4416 1
7 . 1 1 1 1 DG P P 31 -4.17 . . 1 . . . . . . . . 4416 1
8 . 1 1 2 2 DC H41 H 1 6.55 . . 1 . . . . . . . . 4416 1
9 . 1 1 2 2 DC H42 H 1 8.44 . . 1 . . . . . . . . 4416 1
10 . 1 1 2 2 DC H5 H 1 5.45 . . 5 . . . . . . . . 4416 1
11 . 1 1 2 2 DC H6 H 1 7.52 . . 1 . . . . . . . . 4416 1
12 . 1 1 2 2 DC H1' H 1 5.66 . . 1 . . . . . . . . 4416 1
13 . 1 1 2 2 DC H2' H 1 2.62 . . 5 . . . . . . . . 4416 1
14 . 1 1 2 2 DC H2'' H 1 2.82 . . 5 . . . . . . . . 4416 1
15 . 1 1 2 2 DC H3' H 1 4.91 . . 1 . . . . . . . . 4416 1
16 . 1 1 2 2 DC H4' H 1 4.22 . . 5 . . . . . . . . 4416 1
17 . 1 1 2 2 DC P P 31 -3.88 . . 1 . . . . . . . . 4416 1
18 . 1 1 3 3 DA H2 H 1 7.79 . . 1 . . . . . . . . 4416 1
19 . 1 1 3 3 DA H8 H 1 8.32 . . 1 . . . . . . . . 4416 1
20 . 1 1 3 3 DA H1' H 1 6.24 . . 1 . . . . . . . . 4416 1
21 . 1 1 3 3 DA H2' H 1 2.73 . . 1 . . . . . . . . 4416 1
22 . 1 1 3 3 DA H2'' H 1 2.89 . . 1 . . . . . . . . 4416 1
23 . 1 1 3 3 DA H3' H 1 4.82 . . 5 . . . . . . . . 4416 1
24 . 1 1 3 3 DA H4' H 1 4.12 . . 5 . . . . . . . . 4416 1
25 . 1 1 3 3 DA P P 31 -4.20 . . 1 . . . . . . . . 4416 1
26 . 1 1 4 4 DC H41 H 1 6.57 . . 1 . . . . . . . . 4416 1
27 . 1 1 4 4 DC H42 H 1 8.21 . . 1 . . . . . . . . 4416 1
28 . 1 1 4 4 DC H5 H 1 5.28 . . 1 . . . . . . . . 4416 1
29 . 1 1 4 4 DC H6 H 1 7.22 . . 5 . . . . . . . . 4416 1
30 . 1 1 4 4 DC H1' H 1 5.39 . . 1 . . . . . . . . 4416 1
31 . 1 1 4 4 DC H2' H 1 1.83 . . 1 . . . . . . . . 4416 1
32 . 1 1 4 4 DC H2'' H 1 2.21 . . 1 . . . . . . . . 4416 1
33 . 1 1 4 4 DC H3' H 1 4.82 . . 5 . . . . . . . . 4416 1
34 . 1 1 4 4 DC H4' H 1 4.11 . . 1 . . . . . . . . 4416 1
35 . 1 1 4 4 DC P P 31 -3.89 . . 1 . . . . . . . . 4416 1
36 . 1 1 5 5 DG H1 H 1 12.55 . . 1 . . . . . . . . 4416 1
37 . 1 1 5 5 DG H8 H 1 7.85 . . 1 . . . . . . . . 4416 1
38 . 1 1 5 5 DG H1' H 1 5.45 . . 1 . . . . . . . . 4416 1
39 . 1 1 5 5 DG H2' H 1 2.67 . . 1 . . . . . . . . 4416 1
40 . 1 1 5 5 DG H2'' H 1 2.79 . . 1 . . . . . . . . 4416 1
41 . 1 1 5 5 DG H3' H 1 4.88 . . 5 . . . . . . . . 4416 1
42 . 1 1 5 5 DG H4' H 1 4.34 . . 1 . . . . . . . . 4416 1
43 . 1 1 5 5 DG P P 31 -4.12 . . 1 . . . . . . . . 4416 1
44 . 1 1 6 6 DA H2 H 1 7.16 . . 1 . . . . . . . . 4416 1
45 . 1 1 6 6 DA H8 H 1 8.14 . . 1 . . . . . . . . 4416 1
46 . 1 1 6 6 DA H1' H 1 6.03 . . 1 . . . . . . . . 4416 1
47 . 1 1 6 6 DA H2' H 1 2.72 . . 1 . . . . . . . . 4416 1
48 . 1 1 6 6 DA H2'' H 1 2.98 . . 5 . . . . . . . . 4416 1
49 . 1 1 6 6 DA H3' H 1 4.49 . . 1 . . . . . . . . 4416 1
50 . 1 1 6 6 DA H4' H 1 4.26 . . 1 . . . . . . . . 4416 1
51 . 1 1 6 6 DA P P 31 -4.23 . . 1 . . . . . . . . 4416 1
52 . 1 1 7 7 DA H2 H 1 7.60 . . 5 . . . . . . . . 4416 1
53 . 1 1 7 7 DA H8 H 1 8.16 . . 1 . . . . . . . . 4416 1
54 . 1 1 7 7 DA H1' H 1 6.19 . . 1 . . . . . . . . 4416 1
55 . 1 1 7 7 DA H2' H 1 2.68 . . 1 . . . . . . . . 4416 1
56 . 1 1 7 7 DA H2'' H 1 2.97 . . 5 . . . . . . . . 4416 1
57 . 1 1 7 7 DA H3' H 1 4.53 . . 5 . . . . . . . . 4416 1
58 . 1 1 7 7 DA H4' H 1 4.08 . . 5 . . . . . . . . 4416 1
59 . 1 1 7 7 DA P P 31 -4.29 . . 5 . . . . . . . . 4416 1
60 . 1 1 8 8 DT H3 H 1 13.65 . . 1 . . . . . . . . 4416 1
61 . 1 1 8 8 DT H6 H 1 7.19 . . 1 . . . . . . . . 4416 1
62 . 1 1 8 8 DT H71 H 1 1.27 . . 5 . . . . . . . . 4416 1
63 . 1 1 8 8 DT H72 H 1 1.27 . . 5 . . . . . . . . 4416 1
64 . 1 1 8 8 DT H73 H 1 1.27 . . 5 . . . . . . . . 4416 1
65 . 1 1 8 8 DT H1' H 1 5.95 . . 1 . . . . . . . . 4416 1
66 . 1 1 8 8 DT H2' H 1 2.12 . . 1 . . . . . . . . 4416 1
67 . 1 1 8 8 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4416 1
68 . 1 1 8 8 DT H3' H 1 4.87 . . 1 . . . . . . . . 4416 1
69 . 1 1 8 8 DT H4' H 1 4.22 . . 5 . . . . . . . . 4416 1
70 . 1 1 8 8 DT P P 31 -4.36 . . 5 . . . . . . . . 4416 1
71 . 1 1 9 9 DT H3 H 1 13.52 . . 1 . . . . . . . . 4416 1
72 . 1 1 9 9 DT H6 H 1 7.38 . . 1 . . . . . . . . 4416 1
73 . 1 1 9 9 DT H71 H 1 1.61 . . 1 . . . . . . . . 4416 1
74 . 1 1 9 9 DT H72 H 1 1.61 . . 1 . . . . . . . . 4416 1
75 . 1 1 9 9 DT H73 H 1 1.61 . . 1 . . . . . . . . 4416 1
76 . 1 1 9 9 DT H1' H 1 5.79 . . 5 . . . . . . . . 4416 1
77 . 1 1 9 9 DT H2' H 1 2.12 . . 1 . . . . . . . . 4416 1
78 . 1 1 9 9 DT H2'' H 1 2.50 . . 1 . . . . . . . . 4416 1
79 . 1 1 9 9 DT H3' H 1 4.88 . . 5 . . . . . . . . 4416 1
80 . 1 1 9 9 DT H4' H 1 4.22 . . 5 . . . . . . . . 4416 1
81 . 1 1 9 9 DT P P 31 -4.20 . . 1 . . . . . . . . 4416 1
82 . 1 1 10 10 DA H2 H 1 6.78 . . 1 . . . . . . . . 4416 1
83 . 1 1 10 10 DA H8 H 1 8.30 . . 1 . . . . . . . . 4416 1
84 . 1 1 10 10 DA H1' H 1 5.92 . . 1 . . . . . . . . 4416 1
85 . 1 1 10 10 DA H2' H 1 2.78 . . 1 . . . . . . . . 4416 1
86 . 1 1 10 10 DA H2'' H 1 2.94 . . 1 . . . . . . . . 4416 1
87 . 1 1 10 10 DA H3' H 1 4.66 . . 1 . . . . . . . . 4416 1
88 . 1 1 10 10 DA H4' H 1 4.45 . . 1 . . . . . . . . 4416 1
89 . 1 1 10 10 DA P P 31 -4.06 . . 5 . . . . . . . . 4416 1
90 . 1 1 11 11 DA H2 H 1 7.59 . . 1 . . . . . . . . 4416 1
91 . 1 1 11 11 DA H8 H 1 8.08 . . 1 . . . . . . . . 4416 1
92 . 1 1 11 11 DA H1' H 1 6.04 . . 1 . . . . . . . . 4416 1
93 . 1 1 11 11 DA H2' H 1 2.59 . . 5 . . . . . . . . 4416 1
94 . 1 1 11 11 DA H2'' H 1 2.88 . . 1 . . . . . . . . 4416 1
95 . 1 1 11 11 DA H3' H 1 4.64 . . 5 . . . . . . . . 4416 1
96 . 1 1 11 11 DA H4' H 1 4.30 . . 1 . . . . . . . . 4416 1
97 . 1 1 11 11 DA P P 31 -4.02 . . 1 . . . . . . . . 4416 1
98 . 1 1 12 12 DG H8 H 1 7.60 . . 1 . . . . . . . . 4416 1
99 . 1 1 12 12 DG H1' H 1 6.00 . . 1 . . . . . . . . 4416 1
100 . 1 1 12 12 DG H2' H 1 2.39 . . 1 . . . . . . . . 4416 1
101 . 1 1 12 12 DG H2'' H 1 2.26 . . 1 . . . . . . . . 4416 1
102 . 1 1 12 12 DG H3' H 1 4.64 . . 5 . . . . . . . . 4416 1
103 . 1 1 12 12 DG H4' H 1 4.22 . . 5 . . . . . . . . 4416 1
stop_
save_