Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 25043
_Assigned_chem_shift_list.ID 2
_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 .
_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
4 '2D 1H-1H NOESY' . . . 25043 2
5 '2D 1H-1H TOCSY' . . . 25043 2
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $SPARKY . . 25043 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 A H1' H 1 5.927 0.003 . . . . . B 1 A H1' . 25043 2
2 . 2 2 1 1 A H2 H 1 8.041 0.009 . . . . . B 1 A H2 . 25043 2
3 . 2 2 1 1 A H2' H 1 4.865 0.000 . . . . . B 1 A H2' . 25043 2
4 . 2 2 1 1 A H3' H 1 4.710 0.000 . . . . . B 1 A H3' . 25043 2
5 . 2 2 1 1 A H4' H 1 4.421 0.000 . . . . . B 1 A H4' . 25043 2
6 . 2 2 1 1 A H5' H 1 3.896 0.004 . . . . . B 1 A H5' . 25043 2
7 . 2 2 1 1 A H5'' H 1 3.844 0.004 . . . . . B 1 A H5'' . 25043 2
8 . 2 2 1 1 A H8 H 1 8.130 0.015 . . . . . B 1 A H8 . 25043 2
9 . 2 2 1 1 A C1' C 13 91.148 0.000 . . . . . B 1 A C1' . 25043 2
10 . 2 2 1 1 A C2 C 13 154.823 0.000 . . . . . B 1 A C2 . 25043 2
11 . 2 2 1 1 A C2' C 13 75.556 0.000 . . . . . B 1 A C2' . 25043 2
12 . 2 2 1 1 A C3' C 13 77.767 0.000 . . . . . B 1 A C3' . 25043 2
13 . 2 2 1 1 A C4' C 13 88.318 0.000 . . . . . B 1 A C4' . 25043 2
14 . 2 2 1 1 A C8 C 13 142.845 0.000 . . . . . B 1 A C8 . 25043 2
15 . 2 2 2 2 C H1' H 1 5.923 0.000 . . . . . B 2 C H1' . 25043 2
16 . 2 2 2 2 C H2' H 1 4.385 0.000 . . . . . B 2 C H2' . 25043 2
17 . 2 2 2 2 C H3' H 1 4.755 0.000 . . . . . B 2 C H3' . 25043 2
18 . 2 2 2 2 C H4' H 1 4.368 0.000 . . . . . B 2 C H4' . 25043 2
19 . 2 2 2 2 C H5 H 1 6.017 0.000 . . . . . B 2 C H5 . 25043 2
20 . 2 2 2 2 C H5' H 1 4.279 0.000 . . . . . B 2 C H5' . 25043 2
21 . 2 2 2 2 C H5'' H 1 4.203 0.000 . . . . . B 2 C H5'' . 25043 2
22 . 2 2 2 2 C H6 H 1 7.924 0.000 . . . . . B 2 C H6 . 25043 2
23 . 2 2 2 2 C C1' C 13 91.512 0.000 . . . . . B 2 C C1' . 25043 2
24 . 2 2 2 2 C C2' C 13 77.133 0.000 . . . . . B 2 C C2' . 25043 2
25 . 2 2 2 2 C C3' C 13 77.516 0.000 . . . . . B 2 C C3' . 25043 2
26 . 2 2 2 2 C C4' C 13 86.398 0.000 . . . . . B 2 C C4' . 25043 2
27 . 2 2 2 2 C C5 C 13 98.897 0.000 . . . . . B 2 C C5 . 25043 2
28 . 2 2 2 2 C C5' C 13 64.487 0.036 . . . . . B 2 C C5' . 25043 2
29 . 2 2 2 2 C C6 C 13 143.849 0.000 . . . . . B 2 C C6 . 25043 2
30 . 2 2 3 3 A H1' H 1 5.980 0.000 . . . . . B 3 A H1' . 25043 2
31 . 2 2 3 3 A H2 H 1 8.111 0.000 . . . . . B 3 A H2 . 25043 2
32 . 2 2 3 3 A H2' H 1 4.799 0.000 . . . . . B 3 A H2' . 25043 2
33 . 2 2 3 3 A H3' H 1 4.528 0.000 . . . . . B 3 A H3' . 25043 2
34 . 2 2 3 3 A H4' H 1 4.560 0.000 . . . . . B 3 A H4' . 25043 2
35 . 2 2 3 3 A H5' H 1 4.242 0.000 . . . . . B 3 A H5' . 25043 2
36 . 2 2 3 3 A H5'' H 1 4.110 0.000 . . . . . B 3 A H5'' . 25043 2
37 . 2 2 3 3 A H8 H 1 8.279 0.000 . . . . . B 3 A H8 . 25043 2
38 . 2 2 3 3 A C1' C 13 89.690 0.000 . . . . . B 3 A C1' . 25043 2
39 . 2 2 3 3 A C2 C 13 155.084 0.000 . . . . . B 3 A C2 . 25043 2
40 . 2 2 3 3 A C2' C 13 75.759 0.000 . . . . . B 3 A C2' . 25043 2
41 . 2 2 3 3 A C3' C 13 73.056 0.000 . . . . . B 3 A C3' . 25043 2
42 . 2 2 3 3 A C4' C 13 85.666 0.000 . . . . . B 3 A C4' . 25043 2
43 . 2 2 3 3 A C5' C 13 67.428 0.006 . . . . . B 3 A C5' . 25043 2
44 . 2 2 3 3 A C8 C 13 141.881 0.000 . . . . . B 3 A C8 . 25043 2
45 . 2 2 4 4 C H1' H 1 5.723 0.002 . . . . . B 4 C H1' . 25043 2
46 . 2 2 4 4 C H2' H 1 4.144 0.000 . . . . . B 4 C H2' . 25043 2
47 . 2 2 4 4 C H3' H 1 4.477 0.000 . . . . . B 4 C H3' . 25043 2
48 . 2 2 4 4 C H4' H 1 4.324 0.000 . . . . . B 4 C H4' . 25043 2
49 . 2 2 4 4 C H5 H 1 5.837 0.000 . . . . . B 4 C H5 . 25043 2
50 . 2 2 4 4 C H5' H 1 4.062 0.000 . . . . . B 4 C H5' . 25043 2
51 . 2 2 4 4 C H5'' H 1 4.019 0.000 . . . . . B 4 C H5'' . 25043 2
52 . 2 2 4 4 C H6 H 1 7.532 0.000 . . . . . B 4 C H6 . 25043 2
53 . 2 2 4 4 C C1' C 13 91.615 0.000 . . . . . B 4 C C1' . 25043 2
54 . 2 2 4 4 C C2' C 13 77.052 0.000 . . . . . B 4 C C2' . 25043 2
55 . 2 2 4 4 C C3' C 13 77.635 0.000 . . . . . B 4 C C3' . 25043 2
56 . 2 2 4 4 C C4' C 13 84.285 0.000 . . . . . B 4 C C4' . 25043 2
57 . 2 2 4 4 C C5 C 13 98.625 0.000 . . . . . B 4 C C5 . 25043 2
58 . 2 2 4 4 C C5' C 13 66.168 0.000 . . . . . B 4 C C5' . 25043 2
59 . 2 2 4 4 C C6 C 13 142.447 0.000 . . . . . B 4 C C6 . 25043 2
60 . 2 2 5 5 A H1' H 1 6.040 0.000 . . . . . B 5 A H1' . 25043 2
61 . 2 2 5 5 A H2 H 1 8.152 0.009 . . . . . B 5 A H2 . 25043 2
62 . 2 2 5 5 A H2' H 1 4.663 0.000 . . . . . B 5 A H2' . 25043 2
63 . 2 2 5 5 A H3' H 1 4.440 0.000 . . . . . B 5 A H3' . 25043 2
64 . 2 2 5 5 A H4' H 1 4.325 0.000 . . . . . B 5 A H4' . 25043 2
65 . 2 2 5 5 A H5' H 1 4.196 0.000 . . . . . B 5 A H5' . 25043 2
66 . 2 2 5 5 A H5'' H 1 4.105 0.000 . . . . . B 5 A H5'' . 25043 2
67 . 2 2 5 5 A H8 H 1 8.307 0.000 . . . . . B 5 A H8 . 25043 2
68 . 2 2 5 5 A C1' C 13 90.101 0.000 . . . . . B 5 A C1' . 25043 2
69 . 2 2 5 5 A C2 C 13 155.503 0.000 . . . . . B 5 A C2 . 25043 2
70 . 2 2 5 5 A C2' C 13 76.824 0.000 . . . . . B 5 A C2' . 25043 2
71 . 2 2 5 5 A C3' C 13 72.748 0.000 . . . . . B 5 A C3' . 25043 2
72 . 2 2 5 5 A C4' C 13 86.085 0.000 . . . . . B 5 A C4' . 25043 2
73 . 2 2 5 5 A C5' C 13 68.055 0.003 . . . . . B 5 A C5' . 25043 2
74 . 2 2 5 5 A C8 C 13 142.160 0.000 . . . . . B 5 A C8 . 25043 2
stop_
save_