Content for NMR-STAR saveframe, "assigned_chem_shift_list_1"
save_assigned_chem_shift_list_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1
_Assigned_chem_shift_list.Entry_ID 25528
_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_1
_Assigned_chem_shift_list.Chem_shift_1H_err 0.01
_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 '2D 1H-1H NOESY' 1 $sample_1 isotropic 25528 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 25528 1
3 '2D 1H-1H COSY' 1 $sample_1 isotropic 25528 1
4 '2D 1H-1H NOESY' 2 $sample_2 isotropic 25528 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 H1' H 1 5.76356 0.01 . . . . 0 A 1 DC H1' 0 25528 1
2 . 1 1 1 1 DC H2' H 1 1.96319 0.01 . . . . 0 A 1 DC H2' 0 25528 1
3 . 1 1 1 1 DC H2'' H 1 2.4086 0.01 . . . . 0 A 1 DC H2'' 0 25528 1
4 . 1 1 1 1 DC H3' H 1 4.70401 0.01 . . . . 0 A 1 DC H3' 0 25528 1
5 . 1 1 1 1 DC H4' H 1 4.06546 0.01 . . . . 0 A 1 DC H4' 0 25528 1
6 . 1 1 1 1 DC H5 H 1 5.91705 0.01 . . . . 0 A 1 DC H5 0 25528 1
7 . 1 1 1 1 DC H6 H 1 7.63229 0.01 . . . . 0 A 1 DC H6 0 25528 1
8 . 1 1 2 2 DG H1' H 1 5.87625 0.01 . . . . 0 A 2 DG H1' 0 25528 1
9 . 1 1 2 2 DG H2' H 1 2.67017 0.01 . . . . 0 A 2 DG H2' 0 25528 1
10 . 1 1 2 2 DG H2'' H 1 2.70574 0.01 . . . . 0 A 2 DG H2'' 0 25528 1
11 . 1 1 2 2 DG H3' H 1 4.96994 0.01 . . . . 0 A 2 DG H3' 0 25528 1
12 . 1 1 2 2 DG H8 H 1 7.96354 0.01 . . . . 0 A 2 DG H8 0 25528 1
13 . 1 1 3 3 DC H1' H 1 6.00873 0.01 . . . . 0 A 3 DC H1' 0 25528 1
14 . 1 1 3 3 DC H2' H 1 1.84538 0.01 . . . . 0 A 3 DC H2' 0 25528 1
15 . 1 1 3 3 DC H2'' H 1 2.55374 0.01 . . . . 0 A 3 DC H2'' 0 25528 1
16 . 1 1 3 3 DC H3' H 1 4.85588 0.01 . . . . 0 A 3 DC H3' 0 25528 1
17 . 1 1 3 3 DC H4' H 1 4.23675 0.01 . . . . 0 A 3 DC H4' 0 25528 1
18 . 1 1 3 3 DC H5 H 1 5.38593 0.01 . . . . 0 A 3 DC H5 0 25528 1
19 . 1 1 3 3 DC H6 H 1 7.39014 0.01 . . . . 0 A 3 DC H6 0 25528 1
20 . 1 1 4 4 8OG H1' H 1 5.15807 0.01 . . . . 0 A 4 8OG H1' 0 25528 1
21 . 1 1 4 4 8OG H2' H 1 3.35263 0.01 . . . . 0 A 4 8OG H2' 0 25528 1
22 . 1 1 4 4 8OG H2'' H 1 2.41274 0.01 . . . . 0 A 4 8OG H2'' 0 25528 1
23 . 1 1 4 4 8OG H3' H 1 4.84911 0.01 . . . . 0 A 4 8OG H3' 0 25528 1
24 . 1 1 5 5 DA H1' H 1 6.00023 0.01 . . . . 0 A 5 DA H1' 0 25528 1
25 . 1 1 5 5 DA H2 H 1 7.22441 0.01 . . . . 0 A 5 DA H2 0 25528 1
26 . 1 1 5 5 DA H2' H 1 2.71147 0.01 . . . . 0 A 5 DA H2' 0 25528 1
27 . 1 1 5 5 DA H2'' H 1 2.93296 0.01 . . . . 0 A 5 DA H2'' 0 25528 1
28 . 1 1 5 5 DA H3' H 1 5.05892 0.01 . . . . 0 A 5 DA H3' 0 25528 1
29 . 1 1 5 5 DA H4' H 1 4.43796 0.01 . . . . 0 A 5 DA H4' 0 25528 1
30 . 1 1 5 5 DA H8 H 1 8.19533 0.01 . . . . 0 A 5 DA H8 0 25528 1
31 . 1 1 6 6 DA H1' H 1 6.15762 0.01 . . . . 0 A 6 DA H1' 0 25528 1
32 . 1 1 6 6 DA H2 H 1 7.63345 0.01 . . . . 0 A 6 DA H2 0 25528 1
33 . 1 1 6 6 DA H2' H 1 2.56474 0.01 . . . . 0 A 6 DA H2' 0 25528 1
34 . 1 1 6 6 DA H2'' H 1 2.93421 0.01 . . . . 0 A 6 DA H2'' 0 25528 1
35 . 1 1 6 6 DA H3' H 1 4.99886 0.01 . . . . 0 A 6 DA H3' 0 25528 1
36 . 1 1 6 6 DA H4' H 1 4.45649 0.01 . . . . 0 A 6 DA H4' 0 25528 1
37 . 1 1 6 6 DA H8 H 1 8.11901 0.01 . . . . 0 A 6 DA H8 0 25528 1
38 . 1 1 7 7 DT H1' H 1 5.91002 0.01 . . . . 0 A 7 DT H1' 0 25528 1
39 . 1 1 7 7 DT H2' H 1 1.98029 0.01 . . . . 0 A 7 DT H2' 0 25528 1
40 . 1 1 7 7 DT H2'' H 1 2.56445 0.01 . . . . 0 A 7 DT H2'' 0 25528 1
41 . 1 1 7 7 DT H3' H 1 4.8167 0.01 . . . . 0 A 7 DT H3' 0 25528 1
42 . 1 1 7 7 DT H4' H 1 4.21143 0.01 . . . . 0 A 7 DT H4' 0 25528 1
43 . 1 1 7 7 DT H6 H 1 7.11222 0.01 . . . . 0 A 7 DT H6 0 25528 1
44 . 1 1 7 7 DT H71 H 1 1.27232 0.01 . . . . 0 A 7 DT H71 0 25528 1
45 . 1 1 7 7 DT H72 H 1 1.27232 0.01 . . . . 0 A 7 DT H72 0 25528 1
46 . 1 1 7 7 DT H73 H 1 1.27232 0.01 . . . . 0 A 7 DT H73 0 25528 1
47 . 1 1 8 8 DT H1' H 1 6.09451 0.01 . . . . 0 A 8 DT H1' 0 25528 1
48 . 1 1 8 8 DT H2' H 1 2.16406 0.01 . . . . 0 A 8 DT H2' 0 25528 1
49 . 1 1 8 8 DT H2'' H 1 2.55118 0.01 . . . . 0 A 8 DT H2'' 0 25528 1
50 . 1 1 8 8 DT H3' H 1 4.89308 0.01 . . . . 0 A 8 DT H3' 0 25528 1
51 . 1 1 8 8 DT H4' H 1 4.20213 0.01 . . . . 0 A 8 DT H4' 0 25528 1
52 . 1 1 8 8 DT H6 H 1 7.36211 0.01 . . . . 0 A 8 DT H6 0 25528 1
53 . 1 1 8 8 DT H71 H 1 1.51388 0.01 . . . . 0 A 8 DT H71 0 25528 1
54 . 1 1 8 8 DT H72 H 1 1.51388 0.01 . . . . 0 A 8 DT H72 0 25528 1
55 . 1 1 8 8 DT H73 H 1 1.51388 0.01 . . . . 0 A 8 DT H73 0 25528 1
56 . 1 1 9 9 DC H1' H 1 5.67649 0.01 . . . . 0 A 9 DC H1' 0 25528 1
57 . 1 1 9 9 DC H2' H 1 2.04057 0.01 . . . . 0 A 9 DC H2' 0 25528 1
58 . 1 1 9 9 DC H2'' H 1 2.39034 0.01 . . . . 0 A 9 DC H2'' 0 25528 1
59 . 1 1 9 9 DC H3' H 1 4.86605 0.01 . . . . 0 A 9 DC H3' 0 25528 1
60 . 1 1 9 9 DC H4' H 1 4.12752 0.01 . . . . 0 A 9 DC H4' 0 25528 1
61 . 1 1 9 9 DC H5 H 1 5.62503 0.01 . . . . 0 A 9 DC H5 0 25528 1
62 . 1 1 9 9 DC H6 H 1 7.46242 0.01 . . . . 0 A 9 DC H6 0 25528 1
63 . 1 1 10 10 DG H1' H 1 5.86349 0.01 . . . . 0 A 10 DG H1' 0 25528 1
64 . 1 1 10 10 DG H2' H 1 2.62111 0.01 . . . . 0 A 10 DG H2' 0 25528 1
65 . 1 1 10 10 DG H2'' H 1 2.69728 0.01 . . . . 0 A 10 DG H2'' 0 25528 1
66 . 1 1 10 10 DG H3' H 1 4.97984 0.01 . . . . 0 A 10 DG H3' 0 25528 1
67 . 1 1 10 10 DG H4' H 1 4.36372 0.01 . . . . 0 A 10 DG H4' 0 25528 1
68 . 1 1 10 10 DG H8 H 1 7.88674 0.01 . . . . 0 A 10 DG H8 0 25528 1
69 . 1 1 11 11 DC H1' H 1 5.74921 0.01 . . . . 0 A 11 DC H1' 0 25528 1
70 . 1 1 11 11 DC H2' H 1 1.87875 0.01 . . . . 0 A 11 DC H2' 0 25528 1
71 . 1 1 11 11 DC H2'' H 1 2.32385 0.01 . . . . 0 A 11 DC H2'' 0 25528 1
72 . 1 1 11 11 DC H3' H 1 4.81341 0.01 . . . . 0 A 11 DC H3' 0 25528 1
73 . 1 1 11 11 DC H4' H 1 4.1352 0.01 . . . . 0 A 11 DC H4' 0 25528 1
74 . 1 1 11 11 DC H5 H 1 5.44661 0.01 . . . . 0 A 11 DC H5 0 25528 1
75 . 1 1 11 11 DC H6 H 1 7.31511 0.01 . . . . 0 A 11 DC H6 0 25528 1
76 . 1 1 12 12 DG H1' H 1 6.16397 0.01 . . . . 0 A 12 DG H1' 0 25528 1
77 . 1 1 12 12 DG H2' H 1 2.61262 0.01 . . . . 0 A 12 DG H2' 0 25528 1
78 . 1 1 12 12 DG H2'' H 1 2.37063 0.01 . . . . 0 A 12 DG H2'' 0 25528 1
79 . 1 1 12 12 DG H3' H 1 4.67263 0.01 . . . . 0 A 12 DG H3' 0 25528 1
80 . 1 1 12 12 DG H4' H 1 4.17258 0.01 . . . . 0 A 12 DG H4' 0 25528 1
81 . 1 1 12 12 DG H8 H 1 7.94141 0.01 . . . . 0 A 12 DG H8 0 25528 1
stop_
save_