Content for NMR-STAR saveframe, "assigned_chemical_shifts"
save_assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts
_Assigned_chem_shift_list.Entry_ID 4243
_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_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 . 4243 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 DT H6 H 1 7.58 . . 1 . . . . . . . . 4243 1
2 . 1 1 1 1 DT H71 H 1 1.72 . . 1 . . . . . . . . 4243 1
3 . 1 1 1 1 DT H72 H 1 1.72 . . 1 . . . . . . . . 4243 1
4 . 1 1 1 1 DT H73 H 1 1.72 . . 1 . . . . . . . . 4243 1
5 . 1 1 1 1 DT H1' H 1 6.17 . . 1 . . . . . . . . 4243 1
6 . 1 1 1 1 DT H2' H 1 2.32 . . 1 . . . . . . . . 4243 1
7 . 1 1 1 1 DT H2'' H 1 2.48 . . 1 . . . . . . . . 4243 1
8 . 1 1 1 1 DT H3' H 1 4.75 . . 1 . . . . . . . . 4243 1
9 . 1 1 1 1 DT H4' H 1 4.15 . . 1 . . . . . . . . 4243 1
10 . 1 1 2 2 DC H5 H 1 5.91 . . 1 . . . . . . . . 4243 1
11 . 1 1 2 2 DC H6 H 1 7.71 . . 1 . . . . . . . . 4243 1
12 . 1 1 2 2 DC H1' H 1 5.72 . . 1 . . . . . . . . 4243 1
13 . 1 1 2 2 DC H2' H 1 1.87 . . 1 . . . . . . . . 4243 1
14 . 1 1 2 2 DC H2'' H 1 2.33 . . 1 . . . . . . . . 4243 1
15 . 1 1 2 2 DC H3' H 1 4.79 . . 1 . . . . . . . . 4243 1
16 . 1 1 2 2 DC H4' H 1 4.14 . . 1 . . . . . . . . 4243 1
17 . 1 1 2 2 DC P P 31 -4.02 . . 1 . . . . . . . . 4243 1
18 . 1 1 3 3 DC H5 H 1 5.86 . . 1 . . . . . . . . 4243 1
19 . 1 1 3 3 DC H6 H 1 7.7 . . 1 . . . . . . . . 4243 1
20 . 1 1 3 3 DC H1' H 1 6.33 . . 1 . . . . . . . . 4243 1
21 . 1 1 3 3 DC H2' H 1 2.07 . . 1 . . . . . . . . 4243 1
22 . 1 1 3 3 DC H2'' H 1 2.51 . . 1 . . . . . . . . 4243 1
23 . 1 1 3 3 DC H3' H 1 4.65 . . 1 . . . . . . . . 4243 1
24 . 1 1 3 3 DC H4' H 1 4.06 . . 1 . . . . . . . . 4243 1
25 . 1 1 3 3 DC P P 31 -4.07 . . 1 . . . . . . . . 4243 1
26 . 1 1 4 4 DC H5 H 1 5.88 . . 1 . . . . . . . . 4243 1
27 . 1 1 4 4 DC H6 H 1 7.48 . . 1 . . . . . . . . 4243 1
28 . 1 1 4 4 DC H1' H 1 6.16 . . 1 . . . . . . . . 4243 1
29 . 1 1 4 4 DC H2' H 1 1.07 . . 1 . . . . . . . . 4243 1
30 . 1 1 4 4 DC H2'' H 1 2.07 . . 1 . . . . . . . . 4243 1
31 . 1 1 4 4 DC H3' H 1 4.51 . . 1 . . . . . . . . 4243 1
32 . 1 1 4 4 DC H4' H 1 4.2 . . 1 . . . . . . . . 4243 1
33 . 1 1 4 4 DC P P 31 -3.42 . . 1 . . . . . . . . 4243 1
34 . 1 1 5 5 DG H8 H 1 8.25 . . 1 . . . . . . . . 4243 1
35 . 1 1 5 5 DG H1' H 1 5.94 . . 1 . . . . . . . . 4243 1
36 . 1 1 5 5 DG H2' H 1 2.94 . . 1 . . . . . . . . 4243 1
37 . 1 1 5 5 DG H2'' H 1 2.65 . . 1 . . . . . . . . 4243 1
38 . 1 1 5 5 DG H3' H 1 5.09 . . 1 . . . . . . . . 4243 1
39 . 1 1 5 5 DG H4' H 1 4.33 . . 1 . . . . . . . . 4243 1
40 . 1 1 5 5 DG P P 31 -5.2 . . 1 . . . . . . . . 4243 1
41 . 1 1 6 6 DT H6 H 1 7.62 . . 1 . . . . . . . . 4243 1
42 . 1 1 6 6 DT H71 H 1 1.73 . . 1 . . . . . . . . 4243 1
43 . 1 1 6 6 DT H72 H 1 1.73 . . 1 . . . . . . . . 4243 1
44 . 1 1 6 6 DT H73 H 1 1.73 . . 1 . . . . . . . . 4243 1
45 . 1 1 6 6 DT H1' H 1 6.06 . . 1 . . . . . . . . 4243 1
46 . 1 1 6 6 DT H2' H 1 2.06 . . 1 . . . . . . . . 4243 1
47 . 1 1 6 6 DT H2'' H 1 2.3 . . 1 . . . . . . . . 4243 1
48 . 1 1 6 6 DT H3' H 1 4.8 . . 1 . . . . . . . . 4243 1
49 . 1 1 6 6 DT H4' H 1 3.83 . . 1 . . . . . . . . 4243 1
50 . 1 1 6 6 DT P P 31 -4.67 . . 1 . . . . . . . . 4243 1
51 . 1 1 7 7 DT H6 H 1 7.79 . . 1 . . . . . . . . 4243 1
52 . 1 1 7 7 DT H71 H 1 1.89 . . 1 . . . . . . . . 4243 1
53 . 1 1 7 7 DT H72 H 1 1.89 . . 1 . . . . . . . . 4243 1
54 . 1 1 7 7 DT H73 H 1 1.89 . . 1 . . . . . . . . 4243 1
55 . 1 1 7 7 DT H1' H 1 6.43 . . 1 . . . . . . . . 4243 1
56 . 1 1 7 7 DT H2' H 1 2.22 . . 1 . . . . . . . . 4243 1
57 . 1 1 7 7 DT H2'' H 1 2.55 . . 1 . . . . . . . . 4243 1
58 . 1 1 7 7 DT H3' H 1 4.6 . . 1 . . . . . . . . 4243 1
59 . 1 1 7 7 DT H4' H 1 4.51 . . 1 . . . . . . . . 4243 1
60 . 1 1 7 7 DT P P 31 -4.21 . . 1 . . . . . . . . 4243 1
61 . 1 1 8 8 DT H6 H 1 7.91 . . 1 . . . . . . . . 4243 1
62 . 1 1 8 8 DT H71 H 1 2.02 . . 1 . . . . . . . . 4243 1
63 . 1 1 8 8 DT H72 H 1 2.02 . . 1 . . . . . . . . 4243 1
64 . 1 1 8 8 DT H73 H 1 2.02 . . 1 . . . . . . . . 4243 1
65 . 1 1 8 8 DT H1' H 1 6.43 . . 1 . . . . . . . . 4243 1
66 . 1 1 8 8 DT H2' H 1 2.51 . . 2 . . . . . . . . 4243 1
67 . 1 1 8 8 DT H2'' H 1 2.51 . . 2 . . . . . . . . 4243 1
68 . 1 1 8 8 DT H3' H 1 4.93 . . 1 . . . . . . . . 4243 1
69 . 1 1 8 8 DT H4' H 1 4.35 . . 1 . . . . . . . . 4243 1
70 . 1 1 8 8 DT P P 31 -4.3 . . 1 . . . . . . . . 4243 1
71 . 1 1 9 9 DC H5 H 1 6.02 . . 1 . . . . . . . . 4243 1
72 . 1 1 9 9 DC H6 H 1 7.85 . . 1 . . . . . . . . 4243 1
73 . 1 1 9 9 DC H1' H 1 6.45 . . 1 . . . . . . . . 4243 1
74 . 1 1 9 9 DC H2' H 1 2.04 . . 1 . . . . . . . . 4243 1
75 . 1 1 9 9 DC H2'' H 1 2.51 . . 1 . . . . . . . . 4243 1
76 . 1 1 9 9 DC H3' H 1 4.94 . . 1 . . . . . . . . 4243 1
77 . 1 1 9 9 DC H4' H 1 4.32 . . 1 . . . . . . . . 4243 1
78 . 1 1 9 9 DC P P 31 -3.3 . . 1 . . . . . . . . 4243 1
79 . 1 1 10 10 DC H5 H 1 5.85 . . 1 . . . . . . . . 4243 1
80 . 1 1 10 10 DC H6 H 1 7.59 . . 1 . . . . . . . . 4243 1
81 . 1 1 10 10 DC H1' H 1 6.23 . . 1 . . . . . . . . 4243 1
82 . 1 1 10 10 DC H2' H 1 2.06 . . 1 . . . . . . . . 4243 1
83 . 1 1 10 10 DC H2'' H 1 2.22 . . 1 . . . . . . . . 4243 1
84 . 1 1 10 10 DC H3' H 1 4.58 . . 1 . . . . . . . . 4243 1
85 . 1 1 10 10 DC H4' H 1 4.01 . . 1 . . . . . . . . 4243 1
86 . 1 1 10 10 DC P P 31 -3.37 . . 1 . . . . . . . . 4243 1
87 . 1 1 11 11 DA H2 H 1 7.89 . . 1 . . . . . . . . 4243 1
88 . 1 1 11 11 DA H8 H 1 8.26 . . 1 . . . . . . . . 4243 1
89 . 1 1 11 11 DA H1' H 1 6.35 . . 1 . . . . . . . . 4243 1
90 . 1 1 11 11 DA H2' H 1 2.65 . . 1 . . . . . . . . 4243 1
91 . 1 1 11 11 DA H2'' H 1 2.49 . . 1 . . . . . . . . 4243 1
92 . 1 1 11 11 DA H3' H 1 4.65 . . 1 . . . . . . . . 4243 1
93 . 1 1 11 11 DA H4' H 1 4.17 . . 1 . . . . . . . . 4243 1
94 . 1 1 11 11 DA P P 31 -3.65 . . 1 . . . . . . . . 4243 1
stop_
save_