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 21073
_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 0.004
_Assigned_chem_shift_list.Chem_shift_13C_err 0.009
_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-13C HSQC' 1 $sample_1 isotropic 21073 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21073 1
3 '2D DQF-COSY' 1 $sample_1 isotropic 21073 1
6 '2D 1H-13C HMBC' 1 $sample_1 isotropic 21073 1
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_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 . . 21073 1
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_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.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 UVR C C 13 172.233 0.009 . . . . . . . 1 X C . 21073 1
2 . 1 1 1 1 UVR C1 C 13 137.572 0.009 . . . . . . . 1 X C1 . 21073 1
3 . 1 1 1 1 UVR C21 C 13 127.477 0.009 . . . . . . . 1 X C21 . 21073 1
4 . 1 1 1 1 UVR C31 C 13 125.521 0.009 . . . . . . . 1 X C31 . 21073 1
5 . 1 1 1 1 UVR C4 C 13 127.564 0.009 . . . . . . . 1 X C4 . 21073 1
6 . 1 1 1 1 UVR C32 C 13 131.536 0.009 . . . . . . . 1 X C32 . 21073 1
7 . 1 1 1 1 UVR C22 C 13 129.442 0.009 . . . . . . . 1 X C22 . 21073 1
8 . 1 1 1 1 UVR CA C 13 60.578 0.009 . . . . . . . 1 X Ca . 21073 1
9 . 1 1 1 1 UVR CB C 13 47.026 0.009 . . . . . . . 1 X Cb . 21073 1
10 . 1 1 1 1 UVR CD C 13 59.533 0.009 . . . . . . . 1 X Cd . 21073 1
11 . 1 1 1 1 UVR CE C 13 172.794 0.009 . . . . . . . 1 X Ce . 21073 1
12 . 1 1 1 1 UVR CG C 13 34.812 0.009 . . . . . . . 1 X Cg . 21073 1
13 . 1 1 1 1 UVR CZ C 13 52.079 0.009 . . . . . . . 1 X Cz . 21073 1
14 . 1 1 1 1 UVR H3 H 1 7.625 0.004 . . . . . . . 1 X H3 . 21073 1
15 . 1 1 1 1 UVR H4 H 1 7.371 0.004 . . . . . . . 1 X H4 . 21073 1
16 . 1 1 1 1 UVR H5 H 1 7.543 0.004 . . . . . . . 1 X H5 . 21073 1
17 . 1 1 1 1 UVR H6 H 1 7.785 0.004 . . . . . . . 1 X H6 . 21073 1
18 . 1 1 1 1 UVR HA H 1 4.597 0.004 . . . . . . . 1 X Ha . 21073 1
19 . 1 1 1 1 UVR HB H 1 2.936 0.004 . . . . . . . 1 X Hb . 21073 1
20 . 1 1 1 1 UVR HD H 1 3.681 0.004 . . . . . . . 1 X Hd . 21073 1
21 . 1 1 1 1 UVR HG1 H 1 2.152 0.004 . . . . . . . 1 X Hg1 . 21073 1
22 . 1 1 1 1 UVR HG2 H 1 1.755 0.004 . . . . . . . 1 X Hg2 . 21073 1
23 . 1 1 1 1 UVR HZ1 H 1 3.724 0.004 . 1 . . . . . 1 X Hz* . 21073 1
24 . 1 1 1 1 UVR HZ2 H 1 3.724 0.004 . 1 . . . . . 1 X Hz* . 21073 1
25 . 1 1 1 1 UVR HZ3 H 1 3.724 0.004 . 1 . . . . . 1 X Hz* . 21073 1
26 . 1 1 2 2 UVR C C 13 169.835 0.009 . . . . . . . 2 Y C . 21073 1
27 . 1 1 2 2 UVR C1 C 13 137.026 0.009 . . . . . . . 2 Y C1 . 21073 1
28 . 1 1 2 2 UVR C21 C 13 127.505 0.009 . . . . . . . 2 Y C21 . 21073 1
29 . 1 1 2 2 UVR C31 C 13 126.263 0.009 . . . . . . . 2 Y C31 . 21073 1
30 . 1 1 2 2 UVR C4 C 13 128.190 0.009 . . . . . . . 2 Y C4 . 21073 1
31 . 1 1 2 2 UVR C32 C 13 132.443 0.009 . . . . . . . 2 Y C32 . 21073 1
32 . 1 1 2 2 UVR C22 C 13 129.827 0.009 . . . . . . . 2 Y C22 . 21073 1
33 . 1 1 2 2 UVR CA C 13 60.070 0.009 . . . . . . . 2 Y Ca . 21073 1
34 . 1 1 2 2 UVR CB C 13 48.666 0.009 . . . . . . . 2 Y Cb . 21073 1
35 . 1 1 2 2 UVR CD C 13 59.652 0.009 . . . . . . . 2 Y Cd . 21073 1
36 . 1 1 2 2 UVR CE C 13 171.100 0.009 . . . . . . . 2 Y Ce . 21073 1
37 . 1 1 2 2 UVR CG C 13 30.937 0.009 . . . . . . . 2 Y Cg . 21073 1
38 . 1 1 2 2 UVR CZ C 13 52.181 0.009 . . . . . . . 2 Y Cz . 21073 1
39 . 1 1 2 2 UVR H3 H 1 7.614 0.004 . . . . . . . 2 Y H3 . 21073 1
40 . 1 1 2 2 UVR H4 H 1 7.393 0.004 . . . . . . . 2 Y H4 . 21073 1
41 . 1 1 2 2 UVR H5 H 1 7.564 0.004 . . . . . . . 2 Y H5 . 21073 1
42 . 1 1 2 2 UVR H6 H 1 8.362 0.004 . . . . . . . 2 Y H6 . 21073 1
43 . 1 1 2 2 UVR HA H 1 5.243 0.004 . . . . . . . 2 Y Ha . 21073 1
44 . 1 1 2 2 UVR HB H 1 3.179 0.004 . . . . . . . 2 Y Hb . 21073 1
45 . 1 1 2 2 UVR HD H 1 4.290 0.004 . . . . . . . 2 Y Hd . 21073 1
46 . 1 1 2 2 UVR HG1 H 1 2.356 0.004 . . . . . . . 2 Y Hg1 . 21073 1
47 . 1 1 2 2 UVR HG2 H 1 1.956 0.004 . . . . . . . 2 Y Hg2 . 21073 1
48 . 1 1 2 2 UVR HZ1 H 1 3.738 0.004 . 1 . . . . . 2 Y Hz* . 21073 1
49 . 1 1 2 2 UVR HZ2 H 1 3.738 0.004 . 1 . . . . . 2 Y Hz* . 21073 1
50 . 1 1 2 2 UVR HZ3 H 1 3.738 0.004 . 1 . . . . . 2 Y Hz* . 21073 1
51 . 1 1 2 2 UVR CM1 C 13 74.619 0.009 . . . . . . . 2 Y CM1 . 21073 1
52 . 1 1 2 2 UVR CM2 C 13 46.375 0.009 . . . . . . . 2 Y CM2 . 21073 1
53 . 1 1 2 2 UVR CM3 C 13 23.130 0.009 . . . . . . . 2 Y CM3 . 21073 1
54 . 1 1 2 2 UVR CM4 C 13 33.782 0.009 . . . . . . . 2 Y CM4 . 21073 1
55 . 1 1 2 2 UVR CM5 C 13 30.827 0.009 . . . . . . . 2 Y CM5 . 21073 1
56 . 1 1 2 2 UVR CM6 C 13 39.288 0.009 . . . . . . . 2 Y CM6 . 21073 1
57 . 1 1 2 2 UVR CM7 C 13 21.646 0.009 . . . . . . . 2 Y CM7 . 21073 1
58 . 1 1 2 2 UVR CM8 C 13 26.035 0.009 . . . . . . . 2 Y CM8 . 21073 1
59 . 1 1 2 2 UVR CM9 C 13 20.482 0.009 . . . . . . . 2 Y CM9 . 21073 1
60 . 1 1 2 2 UVR CM10 C 13 16.094 0.009 . . . . . . . 2 Y CM10 . 21073 1
61 . 1 1 2 2 UVR H1 H 1 4.220 0.004 . . . . . . . 2 Y H1 . 21073 1
62 . 1 1 2 2 UVR H2 H 1 1.063 0.004 . . . . . . . 2 Y H2 . 21073 1
63 . 1 1 2 2 UVR H31 H 1 1.496 0.004 . . . . . . . 2 Y H31 . 21073 1
64 . 1 1 2 2 UVR H32 H 1 0.815 0.004 . . . . . . . 2 Y H32 . 21073 1
65 . 1 1 2 2 UVR H41 H 1 1.506 0.004 . . . . . . . 2 Y H41 . 21073 1
66 . 1 1 2 2 UVR H42 H 1 0.657 0.004 . . . . . . . 2 Y H42 . 21073 1
67 . 1 1 2 2 UVR HM5 H 1 1.153 0.004 . . . . . . . 2 Y HM5 . 21073 1
68 . 1 1 2 2 UVR H61 H 1 1.015 0.004 . . . . . . . 2 Y H61 . 21073 1
69 . 1 1 2 2 UVR H62 H 1 0.168 0.004 . . . . . . . 2 Y H62 . 21073 1
70 . 1 1 2 2 UVR H71 H 1 0.698 0.004 . 1 . . . . . 2 Y H7* . 21073 1
71 . 1 1 2 2 UVR H72 H 1 0.698 0.004 . 1 . . . . . 2 Y H7* . 21073 1
72 . 1 1 2 2 UVR H73 H 1 0.698 0.004 . 1 . . . . . 2 Y H7* . 21073 1
73 . 1 1 2 2 UVR H8 H 1 1.519 0.004 . . . . . . . 2 Y H8 . 21073 1
74 . 1 1 2 2 UVR H91 H 1 0.749 0.004 . 1 . . . . . 2 Y H9* . 21073 1
75 . 1 1 2 2 UVR H92 H 1 0.749 0.004 . 1 . . . . . 2 Y H9* . 21073 1
76 . 1 1 2 2 UVR H93 H 1 0.749 0.004 . 1 . . . . . 2 Y H9* . 21073 1
77 . 1 1 2 2 UVR H101 H 1 0.543 0.004 . 1 . . . . . 2 Y H10* . 21073 1
78 . 1 1 2 2 UVR H102 H 1 0.543 0.004 . 1 . . . . . 2 Y H10* . 21073 1
79 . 1 1 2 2 UVR H103 H 1 0.543 0.004 . 1 . . . . . 2 Y H10* . 21073 1
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