Content for NMR-STAR saveframe, "chemical_shifts_2"
save_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 5363
_Assigned_chem_shift_list.ID 2
_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 2
. . 2 $Sample_2 . 5363 2
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 . 2 2 1 1 DG H4' H 1 4.210 . . 1 . . . . . . . . 5363 2
2 . 2 2 1 1 DG H1' H 1 5.990 . . 1 . . . . . . . . 5363 2
3 . 2 2 1 1 DG H8 H 1 7.940 . . 1 . . . . . . . . 5363 2
4 . 2 2 1 1 DG H3' H 1 4.810 . . 1 . . . . . . . . 5363 2
5 . 2 2 1 1 DG H2' H 1 2.610 . . 2 . . . . . . . . 5363 2
6 . 2 2 1 1 DG H2'' H 1 2.760 . . 2 . . . . . . . . 5363 2
7 . 2 2 2 2 DC H4' H 1 4.230 . . 1 . . . . . . . . 5363 2
8 . 2 2 2 2 DC H1' H 1 6.060 . . 1 . . . . . . . . 5363 2
9 . 2 2 2 2 DC H6 H 1 7.510 . . 2 . . . . . . . . 5363 2
10 . 2 2 2 2 DC H5 H 1 5.380 . . 2 . . . . . . . . 5363 2
11 . 2 2 2 2 DC H3' H 1 4.790 . . 1 . . . . . . . . 5363 2
12 . 2 2 2 2 DC H2' H 1 2.120 . . 2 . . . . . . . . 5363 2
13 . 2 2 2 2 DC H2'' H 1 2.520 . . 2 . . . . . . . . 5363 2
14 . 2 2 3 3 DT H1' H 1 6.010 . . 1 . . . . . . . . 5363 2
15 . 2 2 3 3 DT H6 H 1 7.310 . . 2 . . . . . . . . 5363 2
16 . 2 2 3 3 DT H71 H 1 1.540 . . 2 . . . . . . . . 5363 2
17 . 2 2 3 3 DT H72 H 1 1.540 . . 2 . . . . . . . . 5363 2
18 . 2 2 3 3 DT H73 H 1 1.540 . . 2 . . . . . . . . 5363 2
19 . 2 2 3 3 DT H3 H 1 13.580 . . 2 . . . . . . . . 5363 2
20 . 2 2 3 3 DT H3' H 1 4.820 . . 1 . . . . . . . . 5363 2
21 . 2 2 3 3 DT H2' H 1 1.980 . . 2 . . . . . . . . 5363 2
22 . 2 2 3 3 DT H2'' H 1 2.320 . . 2 . . . . . . . . 5363 2
23 . 2 2 4 4 DC H6 H 1 7.540 . . 2 . . . . . . . . 5363 2
24 . 2 2 4 4 DC H5 H 1 5.800 . . 2 . . . . . . . . 5363 2
25 . 2 2 4 4 DC H41 H 1 6.940 . . 4 . . . . . . . . 5363 2
26 . 2 2 4 4 DC H42 H 1 8.670 . . 4 . . . . . . . . 5363 2
27 . 2 2 4 4 DC H3' H 1 4.850 . . 1 . . . . . . . . 5363 2
28 . 2 2 4 4 DC H2' H 1 2.220 . . 2 . . . . . . . . 5363 2
29 . 2 2 4 4 DC H2'' H 1 2.250 . . 2 . . . . . . . . 5363 2
30 . 2 2 5 5 DA H1' H 1 5.750 . . 1 . . . . . . . . 5363 2
31 . 2 2 5 5 DA H8 H 1 8.690 . . 2 . . . . . . . . 5363 2
32 . 2 2 5 5 DA H2 H 1 6.950 . . 2 . . . . . . . . 5363 2
33 . 2 2 5 5 DA H3' H 1 5.270 . . 1 . . . . . . . . 5363 2
34 . 2 2 5 5 DA H2' H 1 3.160 . . 2 . . . . . . . . 5363 2
35 . 2 2 5 5 DA H2'' H 1 3.160 . . 2 . . . . . . . . 5363 2
36 . 2 2 6 6 DA H4' H 1 4.260 . . 1 . . . . . . . . 5363 2
37 . 2 2 6 6 DA H1' H 1 6.270 . . 1 . . . . . . . . 5363 2
38 . 2 2 6 6 DA H8 H 1 8.140 . . 2 . . . . . . . . 5363 2
39 . 2 2 6 6 DA H2 H 1 7.390 . . 2 . . . . . . . . 5363 2
40 . 2 2 6 6 DA H3' H 1 4.950 . . 1 . . . . . . . . 5363 2
41 . 2 2 6 6 DA H2' H 1 2.650 . . 2 . . . . . . . . 5363 2
42 . 2 2 6 6 DA H2'' H 1 2.650 . . 2 . . . . . . . . 5363 2
43 . 2 2 7 7 DG H5' H 1 3.906 . . 2 . . . . . . . . 5363 2
44 . 2 2 7 7 DG H5'' H 1 4.002 . . 2 . . . . . . . . 5363 2
45 . 2 2 7 7 DG H4' H 1 4.260 . . 1 . . . . . . . . 5363 2
46 . 2 2 7 7 DG H1' H 1 5.850 . . 1 . . . . . . . . 5363 2
47 . 2 2 7 7 DG H8 H 1 7.910 . . 2 . . . . . . . . 5363 2
48 . 2 2 7 7 DG H1 H 1 12.730 . . 2 . . . . . . . . 5363 2
49 . 2 2 7 7 DG H3' H 1 4.870 . . 1 . . . . . . . . 5363 2
50 . 2 2 7 7 DG H2' H 1 2.370 . . 2 . . . . . . . . 5363 2
51 . 2 2 7 7 DG H2'' H 1 2.670 . . 2 . . . . . . . . 5363 2
52 . 2 2 8 8 DG H1' H 1 5.950 . . 1 . . . . . . . . 5363 2
53 . 2 2 8 8 DG H8 H 1 7.480 . . 2 . . . . . . . . 5363 2
54 . 2 2 8 8 DG H1 H 1 12.650 . . 2 . . . . . . . . 5363 2
55 . 2 2 8 8 DG H3' H 1 4.880 . . 1 . . . . . . . . 5363 2
56 . 2 2 8 8 DG H2' H 1 2.440 . . 2 . . . . . . . . 5363 2
57 . 2 2 8 8 DG H2'' H 1 2.790 . . 2 . . . . . . . . 5363 2
58 . 2 2 9 9 DT H4' H 1 4.130 . . 1 . . . . . . . . 5363 2
59 . 2 2 9 9 DT H1' H 1 6.040 . . 1 . . . . . . . . 5363 2
60 . 2 2 9 9 DT H6 H 1 7.100 . . 2 . . . . . . . . 5363 2
61 . 2 2 9 9 DT H71 H 1 1.020 . . 2 . . . . . . . . 5363 2
62 . 2 2 9 9 DT H72 H 1 1.020 . . 2 . . . . . . . . 5363 2
63 . 2 2 9 9 DT H73 H 1 1.020 . . 2 . . . . . . . . 5363 2
64 . 2 2 9 9 DT H3 H 1 13.850 . . 2 . . . . . . . . 5363 2
65 . 2 2 9 9 DT H3' H 1 4.840 . . 1 . . . . . . . . 5363 2
66 . 2 2 9 9 DT H2' H 1 1.900 . . 2 . . . . . . . . 5363 2
67 . 2 2 9 9 DT H2'' H 1 2.280 . . 2 . . . . . . . . 5363 2
68 . 2 2 10 10 DC H6 H 1 7.660 . . 2 . . . . . . . . 5363 2
69 . 2 2 10 10 DC H5 H 1 5.750 . . 2 . . . . . . . . 5363 2
70 . 2 2 10 10 DC H41 H 1 6.860 . . 4 . . . . . . . . 5363 2
71 . 2 2 10 10 DC H42 H 1 8.410 . . 4 . . . . . . . . 5363 2
72 . 2 2 10 10 DC H3' H 1 4.820 . . 1 . . . . . . . . 5363 2
73 . 2 2 10 10 DC H2' H 1 2.300 . . 2 . . . . . . . . 5363 2
74 . 2 2 10 10 DC H2'' H 1 2.340 . . 2 . . . . . . . . 5363 2
75 . 2 2 11 11 DA H1' H 1 6.330 . . 1 . . . . . . . . 5363 2
76 . 2 2 11 11 DA H8 H 1 8.340 . . 2 . . . . . . . . 5363 2
77 . 2 2 11 11 DA H2 H 1 7.860 . . 2 . . . . . . . . 5363 2
78 . 2 2 11 11 DA H3' H 1 5.050 . . 1 . . . . . . . . 5363 2
79 . 2 2 11 11 DA H2' H 1 2.840 . . 2 . . . . . . . . 5363 2
80 . 2 2 11 11 DA H2'' H 1 2.950 . . 2 . . . . . . . . 5363 2
81 . 2 2 12 12 DC H1' H 1 5.660 . . 1 . . . . . . . . 5363 2
82 . 2 2 12 12 DC H6 H 1 7.120 . . 2 . . . . . . . . 5363 2
83 . 2 2 12 12 DC H5 H 1 5.310 . . 2 . . . . . . . . 5363 2
84 . 2 2 12 12 DC H41 H 1 6.660 . . 4 . . . . . . . . 5363 2
85 . 2 2 12 12 DC H42 H 1 8.320 . . 4 . . . . . . . . 5363 2
86 . 2 2 12 12 DC H3' H 1 4.750 . . 1 . . . . . . . . 5363 2
87 . 2 2 12 12 DC H2' H 1 1.670 . . 2 . . . . . . . . 5363 2
88 . 2 2 12 12 DC H2'' H 1 2.200 . . 2 . . . . . . . . 5363 2
89 . 2 2 13 13 DG H1' H 1 6.090 . . 1 . . . . . . . . 5363 2
90 . 2 2 13 13 DG H8 H 1 7.860 . . 1 . . . . . . . . 5363 2
91 . 2 2 13 13 DG H2' H 1 2.580 . . 2 . . . . . . . . 5363 2
92 . 2 2 13 13 DG H2'' H 1 2.320 . . 2 . . . . . . . . 5363 2
stop_
save_