Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 34580
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name .
_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 $chem_shift_reference_1
_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 '2D 1H-1H NOESY' . . . 34580 2
2 '2D 1H-1H NOESY' . . . 34580 2
3 '2D 1H-1H TOCSY' . . . 34580 2
4 '2D 31P-1H HETCOR' . . . 34580 2
5 '2D 1H-13C HSQC' . . . 34580 2
6 '2D 1H-13C HMBC' . . . 34580 2
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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.Ambiguity_set_ID
_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 5.613 0.001 . 1 . . . . A 1 DC H1' . 34580 2
2 . 1 . 1 1 1 DC H2' H 1 1.958 0.004 . 1 . . . . A 1 DC H2' . 34580 2
3 . 1 . 1 1 1 DC H2'' H 1 2.393 0.004 . 1 . . . . A 1 DC H2'' . 34580 2
4 . 1 . 1 1 1 DC H3' H 1 4.719 0.002 . 1 . . . . A 1 DC H3' . 34580 2
5 . 1 . 1 1 1 DC H4' H 1 4.064 0.000 . 1 . . . . A 1 DC H4' . 34580 2
6 . 1 . 1 1 1 DC H5 H 1 5.961 0.001 . 1 . . . . A 1 DC H5 . 34580 2
7 . 1 . 1 1 1 DC H5' H 1 3.727 0.000 . 1 . . . . A 1 DC H5' . 34580 2
8 . 1 . 1 1 1 DC H5'' H 1 3.727 0.000 . 1 . . . . A 1 DC H5'' . 34580 2
9 . 1 . 1 1 1 DC H6 H 1 7.703 0.001 . 1 . . . . A 1 DC H6 . 34580 2
10 . 1 . 1 1 1 DC H41 H 1 8.171 0.001 . 1 . . . . A 1 DC H41 . 34580 2
11 . 1 . 1 1 1 DC H42 H 1 7.075 0.001 . 1 . . . . A 1 DC H42 . 34580 2
12 . 1 . 1 2 2 DA H1' H 1 6.207 0.002 . 1 . . . . A 2 DA H1' . 34580 2
13 . 1 . 1 2 2 DA H2 H 1 7.953 0.001 . 1 . . . . A 2 DA H2 . 34580 2
14 . 1 . 1 2 2 DA H2' H 1 2.785 0.000 . 1 . . . . A 2 DA H2' . 34580 2
15 . 1 . 1 2 2 DA H2'' H 1 2.872 0.000 . 1 . . . . A 2 DA H2'' . 34580 2
16 . 1 . 1 2 2 DA H3' H 1 5.024 0.004 . 1 . . . . A 2 DA H3' . 34580 2
17 . 1 . 1 2 2 DA H4' H 1 4.412 0.000 . 1 . . . . A 2 DA H4' . 34580 2
18 . 1 . 1 2 2 DA H5' H 1 3.990 0.000 . 2 . . . . A 2 DA H5' . 34580 2
19 . 1 . 1 2 2 DA H5'' H 1 4.138 0.000 . 2 . . . . A 2 DA H5'' . 34580 2
20 . 1 . 1 2 2 DA H8 H 1 8.381 0.001 . 1 . . . . A 2 DA H8 . 34580 2
21 . 1 . 1 3 3 DC H1' H 1 5.575 0.000 . 1 . . . . A 3 DC H1' . 34580 2
22 . 1 . 1 3 3 DC H3' H 1 4.839 0.000 . 1 . . . . A 3 DC H3' . 34580 2
23 . 1 . 1 3 3 DC H5 H 1 5.336 0.001 . 1 . . . . A 3 DC H5 . 34580 2
24 . 1 . 1 3 3 DC H6 H 1 7.314 0.001 . 1 . . . . A 3 DC H6 . 34580 2
25 . 1 . 1 3 3 DC H41 H 1 8.226 0.002 . 1 . . . . A 3 DC H41 . 34580 2
26 . 1 . 1 3 3 DC H42 H 1 6.659 0.002 . 1 . . . . A 3 DC H42 . 34580 2
27 . 1 . 1 4 4 DG H1 H 1 12.98 0.003 . 1 . . . . A 4 DG H1 . 34580 2
28 . 1 . 1 4 4 DG H1' H 1 5.887 0.000 . 1 . . . . A 4 DG H1' . 34580 2
29 . 1 . 1 4 4 DG H8 H 1 7.891 0.002 . 1 . . . . A 4 DG H8 . 34580 2
30 . 1 . 1 5 5 DC H1' H 1 5.943 0.000 . 1 . . . . A 5 DC H1' . 34580 2
31 . 1 . 1 5 5 DC H5 H 1 5.318 0.001 . 1 . . . . A 5 DC H5 . 34580 2
32 . 1 . 1 5 5 DC H6 H 1 7.346 0.003 . 1 . . . . A 5 DC H6 . 34580 2
33 . 1 . 1 5 5 DC H41 H 1 8.186 0.002 . 1 . . . . A 5 DC H41 . 34580 2
34 . 1 . 1 5 5 DC H42 H 1 6.409 0.001 . 1 . . . . A 5 DC H42 . 34580 2
35 . 1 . 1 6 6 DC H1' H 1 5.943 0.000 . 1 . . . . A 6 DC H1' . 34580 2
36 . 1 . 1 6 6 DC H5 H 1 5.552 0.001 . 1 . . . . A 6 DC H5 . 34580 2
37 . 1 . 1 6 6 DC H6 H 1 7.429 0.001 . 1 . . . . A 6 DC H6 . 34580 2
38 . 1 . 1 6 6 DC H41 H 1 8.560 0.001 . 1 . . . . A 6 DC H41 . 34580 2
39 . 1 . 1 6 6 DC H42 H 1 6.851 0.001 . 1 . . . . A 6 DC H42 . 34580 2
40 . 1 . 1 7 7 DG H1 H 1 13.00 0.001 . 1 . . . . A 7 DG H1 . 34580 2
41 . 1 . 1 7 7 DG H1' H 1 5.934 0.002 . 1 . . . . A 7 DG H1' . 34580 2
42 . 1 . 1 7 7 DG H8 H 1 7.932 0.000 . 1 . . . . A 7 DG H8 . 34580 2
43 . 1 . 1 8 8 DC H5 H 1 5.384 0.002 . 1 . . . . A 8 DC H5 . 34580 2
44 . 1 . 1 8 8 DC H6 H 1 7.427 0.001 . 1 . . . . A 8 DC H6 . 34580 2
45 . 1 . 1 8 8 DC H41 H 1 8.277 0.001 . 1 . . . . A 8 DC H41 . 34580 2
46 . 1 . 1 8 8 DC H42 H 1 6.686 0.001 . 1 . . . . A 8 DC H42 . 34580 2
47 . 1 . 1 9 9 DT H3 H 1 14.23 0.003 . 1 . . . . A 9 DT H3 . 34580 2
48 . 2 . 2 1 1 DC H1' H 1 5.558 0.000 . 1 . . . . B 11 DC H1' . 34580 2
49 . 2 . 2 1 1 DC H2' H 1 1.907 0.000 . 1 . . . . B 11 DC H2' . 34580 2
50 . 2 . 2 1 1 DC H2'' H 1 2.349 0.000 . 1 . . . . B 11 DC H2'' . 34580 2
51 . 2 . 2 1 1 DC H3' H 1 4.704 0.000 . 1 . . . . B 11 DC H3' . 34580 2
52 . 2 . 2 1 1 DC H5 H 1 5.950 0.002 . 1 . . . . B 11 DC H5 . 34580 2
53 . 2 . 2 1 1 DC H6 H 1 7.673 0.003 . 1 . . . . B 11 DC H6 . 34580 2
54 . 2 . 2 1 1 DC H41 H 1 8.239 0.000 . 1 . . . . B 11 DC H41 . 34580 2
55 . 2 . 2 1 1 DC H42 H 1 7.083 0.000 . 1 . . . . B 11 DC H42 . 34580 2
56 . 2 . 2 2 2 DA H1' H 1 5.963 0.002 . 1 . . . . B 12 DA H1' . 34580 2
57 . 2 . 2 2 2 DA H2 H 1 7.819 0.001 . 1 . . . . B 12 DA H2 . 34580 2
58 . 2 . 2 2 2 DA H2' H 1 2.812 0.000 . 1 . . . . B 12 DA H2' . 34580 2
59 . 2 . 2 2 2 DA H2'' H 1 2.902 0.000 . 1 . . . . B 12 DA H2'' . 34580 2
60 . 2 . 2 2 2 DA H3' H 1 5.035 0.000 . 1 . . . . B 12 DA H3' . 34580 2
61 . 2 . 2 2 2 DA H4' H 1 4.392 0.000 . 1 . . . . B 12 DA H4' . 34580 2
62 . 2 . 2 2 2 DA H5' H 1 3.976 0.000 . 2 . . . . B 12 DA H5' . 34580 2
63 . 2 . 2 2 2 DA H5'' H 1 4.110 0.000 . 2 . . . . B 12 DA H5'' . 34580 2
64 . 2 . 2 2 2 DA H8 H 1 8.303 0.000 . 1 . . . . B 12 DA H8 . 34580 2
65 . 2 . 2 3 3 DG H1 H 1 12.84 0.003 . 1 . . . . B 13 DG H1 . 34580 2
66 . 2 . 2 3 3 DG H1' H 1 5.783 0.000 . 1 . . . . B 13 DG H1' . 34580 2
67 . 2 . 2 3 3 DG H8 H 1 7.758 0.002 . 1 . . . . B 13 DG H8 . 34580 2
68 . 2 . 2 4 4 DC H1' H 1 5.673 0.000 . 1 . . . . B 14 DC H1' . 34580 2
69 . 2 . 2 4 4 DC H5 H 1 5.252 0.001 . 1 . . . . B 14 DC H5 . 34580 2
70 . 2 . 2 4 4 DC H6 H 1 7.228 0.001 . 1 . . . . B 14 DC H6 . 34580 2
71 . 2 . 2 4 4 DC H41 H 1 8.280 0.002 . 1 . . . . B 14 DC H41 . 34580 2
72 . 2 . 2 4 4 DC H42 H 1 6.409 0.002 . 1 . . . . B 14 DC H42 . 34580 2
73 . 2 . 2 5 5 DG H1 H 1 13.13 0.001 . 1 . . . . B 15 DG H1 . 34580 2
74 . 2 . 2 5 5 DG H8 H 1 7.853 0.000 . 1 . . . . B 15 DG H8 . 34580 2
75 . 2 . 2 6 6 DG H1 H 1 12.98 0.001 . 1 . . . . B 16 DG H1 . 34580 2
76 . 2 . 2 6 6 DG H1' H 1 5.881 0.000 . 1 . . . . B 16 DG H1' . 34580 2
77 . 2 . 2 6 6 DG H3' H 1 4.973 0.000 . 1 . . . . B 16 DG H3' . 34580 2
78 . 2 . 2 6 6 DG H8 H 1 7.767 0.000 . 1 . . . . B 16 DG H8 . 34580 2
79 . 2 . 2 7 7 DC H1' H 1 5.678 0.000 . 1 . . . . B 17 DC H1' . 34580 2
80 . 2 . 2 7 7 DC H3' H 1 4.855 0.000 . 1 . . . . B 17 DC H3' . 34580 2
81 . 2 . 2 7 7 DC H5 H 1 5.294 0.001 . 1 . . . . B 17 DC H5 . 34580 2
82 . 2 . 2 7 7 DC H6 H 1 7.275 0.000 . 1 . . . . B 17 DC H6 . 34580 2
83 . 2 . 2 7 7 DC H41 H 1 8.289 0.002 . 1 . . . . B 17 DC H41 . 34580 2
84 . 2 . 2 7 7 DC H42 H 1 6.430 0.004 . 1 . . . . B 17 DC H42 . 34580 2
85 . 2 . 2 8 8 DG H1 H 1 12.86 0.002 . 1 . . . . B 18 DG H1 . 34580 2
86 . 2 . 2 8 8 DG H8 H 1 7.952 0.000 . 1 . . . . B 18 DG H8 . 34580 2
87 . 2 . 2 9 9 T0Q H3 H 1 14.01 0.002 . 1 . . . . B 19 T0Q H3 . 34580 2
88 . 2 . 2 9 9 T0Q H71 H 1 1.588 0.000 . 2 . . . . B 19 T0Q H71 . 34580 2
89 . 2 . 2 9 9 T0Q H72 H 1 1.588 0.000 . 2 . . . . B 19 T0Q H72 . 34580 2
90 . 2 . 2 9 9 T0Q H73 H 1 1.588 0.000 . 2 . . . . B 19 T0Q H73 . 34580 2
stop_
save_