Content for NMR-STAR saveframe, "chemical_shifts_3"
save_chemical_shifts_3
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_3
_Assigned_chem_shift_list.Entry_ID 5363
_Assigned_chem_shift_list.ID 3
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $cond1
_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 . 5363 3
. . 2 $Sample_2 . 5363 3
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 . 3 3 1 1 DC H4' H 1 4.040 . . 1 . . . . 14 . . . 5363 3
2 . 3 3 1 1 DC H1' H 1 5.690 . . 1 . . . . 14 . . . 5363 3
3 . 3 3 1 1 DC H6 H 1 7.670 . . 1 . . . . 14 . . . 5363 3
4 . 3 3 1 1 DC H5 H 1 5.920 . . 1 . . . . 14 . . . 5363 3
5 . 3 3 1 1 DC H3' H 1 4.690 . . 1 . . . . 14 . . . 5363 3
6 . 3 3 1 1 DC H2' H 1 2.010 . . 2 . . . . 14 . . . 5363 3
7 . 3 3 1 1 DC H2'' H 1 2.430 . . 2 . . . . 14 . . . 5363 3
8 . 3 3 2 2 DG H1' H 1 6.130 . . 1 . . . . 15 . . . 5363 3
9 . 3 3 2 2 DG H8 H 1 8.010 . . 2 . . . . 15 . . . 5363 3
10 . 3 3 2 2 DG H1 H 1 12.890 . . 2 . . . . 15 . . . 5363 3
11 . 3 3 2 2 DG H21 H 1 6.840 . . 9 . . . . 15 . . . 5363 3
12 . 3 3 2 2 DG H3' H 1 5.050 . . 1 . . . . 15 . . . 5363 3
13 . 3 3 2 2 DG H2' H 1 2.760 . . 2 . . . . 15 . . . 5363 3
14 . 3 3 2 2 DG H2'' H 1 2.790 . . 2 . . . . 15 . . . 5363 3
15 . 3 3 3 3 DT H4' H 1 4.030 . . 1 . . . . 16 . . . 5363 3
16 . 3 3 3 3 DT H1' H 1 5.880 . . 1 . . . . 16 . . . 5363 3
17 . 3 3 3 3 DT H6 H 1 6.560 . . 2 . . . . 16 . . . 5363 3
18 . 3 3 3 3 DT H71 H 1 1.130 . . 2 . . . . 16 . . . 5363 3
19 . 3 3 3 3 DT H72 H 1 1.130 . . 2 . . . . 16 . . . 5363 3
20 . 3 3 3 3 DT H73 H 1 1.130 . . 2 . . . . 16 . . . 5363 3
21 . 3 3 3 3 DT H3 H 1 14.240 . . 2 . . . . 16 . . . 5363 3
22 . 3 3 3 3 DT H3' H 1 4.760 . . 1 . . . . 16 . . . 5363 3
23 . 3 3 3 3 DT H2' H 1 1.490 . . 2 . . . . 16 . . . 5363 3
24 . 3 3 3 3 DT H2'' H 1 2.330 . . 2 . . . . 16 . . . 5363 3
25 . 3 3 4 4 DG H4' H 1 4.230 . . 1 . . . . 17 . . . 5363 3
26 . 3 3 4 4 DG H8 H 1 8.250 . . 2 . . . . 17 . . . 5363 3
27 . 3 3 4 4 DG H1 H 1 12.990 . . 2 . . . . 17 . . . 5363 3
28 . 3 3 4 4 DG H3' H 1 4.840 . . 1 . . . . 17 . . . 5363 3
29 . 3 3 4 4 DG H2' H 1 2.430 . . 2 . . . . 17 . . . 5363 3
30 . 3 3 5 5 DA H1' H 1 6.440 . . 1 . . . . 18 . . . 5363 3
31 . 3 3 5 5 DA H8 H 1 8.120 . . 2 . . . . 18 . . . 5363 3
32 . 3 3 5 5 DA H2 H 1 7.960 . . 2 . . . . 18 . . . 5363 3
33 . 3 3 5 5 DA H3' H 1 5.090 . . 1 . . . . 18 . . . 5363 3
34 . 3 3 5 5 DA H2' H 1 2.840 . . 2 . . . . 18 . . . 5363 3
35 . 3 3 5 5 DA H2'' H 1 2.950 . . 2 . . . . 18 . . . 5363 3
36 . 3 3 6 6 DC H4' H 1 4.200 . . 1 . . . . 19 . . . 5363 3
37 . 3 3 6 6 DC H1' H 1 5.790 . . 1 . . . . 19 . . . 5363 3
38 . 3 3 6 6 DC H6 H 1 7.250 . . 2 . . . . 19 . . . 5363 3
39 . 3 3 6 6 DC H5 H 1 5.050 . . 2 . . . . 19 . . . 5363 3
40 . 3 3 6 6 DC H41 H 1 7.400 . . 4 . . . . 19 . . . 5363 3
41 . 3 3 6 6 DC H42 H 1 8.130 . . 4 . . . . 19 . . . 5363 3
42 . 3 3 6 6 DC H3' H 1 4.770 . . 1 . . . . 19 . . . 5363 3
43 . 3 3 6 6 DC H2' H 1 2.110 . . 2 . . . . 19 . . . 5363 3
44 . 3 3 6 6 DC H2'' H 1 2.400 . . 2 . . . . 19 . . . 5363 3
45 . 3 3 7 7 DC H1' H 1 5.770 . . 1 . . . . 20 . . . 5363 3
46 . 3 3 7 7 DC H6 H 1 7.400 . . 2 . . . . 20 . . . 5363 3
47 . 3 3 7 7 DC H5 H 1 5.330 . . 2 . . . . 20 . . . 5363 3
48 . 3 3 7 7 DC H41 H 1 6.800 . . 4 . . . . 20 . . . 5363 3
49 . 3 3 7 7 DC H42 H 1 7.910 . . 4 . . . . 20 . . . 5363 3
50 . 3 3 7 7 DC H3' H 1 4.830 . . 1 . . . . 20 . . . 5363 3
51 . 3 3 7 7 DC H2' H 1 2.050 . . 2 . . . . 20 . . . 5363 3
52 . 3 3 7 7 DC H2'' H 1 2.460 . . 2 . . . . 20 . . . 5363 3
53 . 3 3 8 8 DT H1' H 1 6.060 . . 1 . . . . 21 . . . 5363 3
54 . 3 3 8 8 DT H6 H 1 7.490 . . 2 . . . . 21 . . . 5363 3
55 . 3 3 8 8 DT H71 H 1 1.500 . . 2 . . . . 21 . . . 5363 3
56 . 3 3 8 8 DT H72 H 1 1.500 . . 2 . . . . 21 . . . 5363 3
57 . 3 3 8 8 DT H73 H 1 1.500 . . 2 . . . . 21 . . . 5363 3
58 . 3 3 8 8 DT H3 H 1 13.690 . . 2 . . . . 21 . . . 5363 3
59 . 3 3 8 8 DT H3' H 1 4.860 . . 1 . . . . 21 . . . 5363 3
60 . 3 3 8 8 DT H2' H 1 2.230 . . 2 . . . . 21 . . . 5363 3
61 . 3 3 8 8 DT H2'' H 1 2.540 . . 2 . . . . 21 . . . 5363 3
62 . 3 3 9 9 DT H4' H 1 3.720 . . 1 . . . . 22 . . . 5363 3
63 . 3 3 9 9 DT H1' H 1 5.560 . . 1 . . . . 22 . . . 5363 3
64 . 3 3 9 9 DT H6 H 1 7.090 . . 2 . . . . 22 . . . 5363 3
65 . 3 3 9 9 DT H71 H 1 1.660 . . 2 . . . . 22 . . . 5363 3
66 . 3 3 9 9 DT H72 H 1 1.660 . . 2 . . . . 22 . . . 5363 3
67 . 3 3 9 9 DT H73 H 1 1.660 . . 2 . . . . 22 . . . 5363 3
68 . 3 3 9 9 DT H3 H 1 13.470 . . 2 . . . . 22 . . . 5363 3
69 . 3 3 9 9 DT H3' H 1 4.760 . . 1 . . . . 22 . . . 5363 3
70 . 3 3 9 9 DT H2' H 1 1.650 . . 2 . . . . 22 . . . 5363 3
71 . 3 3 9 9 DT H2'' H 1 1.870 . . 2 . . . . 22 . . . 5363 3
72 . 3 3 10 10 DG H8 H 1 7.940 . . 2 . . . . 23 . . . 5363 3
73 . 3 3 10 10 DG H1 H 1 12.540 . . 2 . . . . 23 . . . 5363 3
74 . 3 3 10 10 DG H3' H 1 4.870 . . 1 . . . . 23 . . . 5363 3
75 . 3 3 10 10 DG H2' H 1 2.630 . . 2 . . . . 23 . . . 5363 3
76 . 3 3 11 11 DA H1' H 1 6.050 . . 1 . . . . 24 . . . 5363 3
77 . 3 3 11 11 DA H8 H 1 8.210 . . 2 . . . . 24 . . . 5363 3
78 . 3 3 11 11 DA H2 H 1 7.700 . . 2 . . . . 24 . . . 5363 3
79 . 3 3 11 11 DA H3' H 1 5.070 . . 1 . . . . 24 . . . 5363 3
80 . 3 3 11 11 DA H2' H 1 2.790 . . 2 . . . . 24 . . . 5363 3
81 . 3 3 11 11 DA H2'' H 1 2.920 . . 2 . . . . 24 . . . 5363 3
82 . 3 3 12 12 DG H4' H 1 4.200 . . 1 . . . . 25 . . . 5363 3
83 . 3 3 12 12 DG H1' H 1 5.740 . . 1 . . . . 25 . . . 5363 3
84 . 3 3 12 12 DG H8 H 1 7.690 . . 2 . . . . 25 . . . 5363 3
85 . 3 3 12 12 DG H3' H 1 4.910 . . 1 . . . . 25 . . . 5363 3
86 . 3 3 12 12 DG H2' H 1 2.470 . . 2 . . . . 25 . . . 5363 3
87 . 3 3 12 12 DG H2'' H 1 2.600 . . 2 . . . . 25 . . . 5363 3
88 . 3 3 13 13 DC H4' H 1 4.000 . . 1 . . . . 26 . . . 5363 3
89 . 3 3 13 13 DC H1' H 1 6.100 . . 1 . . . . 26 . . . 5363 3
90 . 3 3 13 13 DC H6 H 1 7.370 . . 1 . . . . 26 . . . 5363 3
91 . 3 3 13 13 DC H5 H 1 5.420 . . 1 . . . . 26 . . . 5363 3
92 . 3 3 13 13 DC H3' H 1 4.420 . . 1 . . . . 26 . . . 5363 3
93 . 3 3 13 13 DC H2' H 1 2.070 . . 2 . . . . 26 . . . 5363 3
94 . 3 3 13 13 DC H2'' H 1 2.160 . . 2 . . . . 26 . . . 5363 3
stop_
save_