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 21086
_Assigned_chem_shift_list.ID 1
_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 $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
1 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21086 1
2 '2D DQF-COSY' 1 $sample_1 isotropic 21086 1
3 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21086 1
4 '2D 1H-13C HSQC' 1 $sample_1 isotropic 21086 1
5 '2D 1H-13C HMBC' 1 $sample_1 isotropic 21086 1
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 UVR C1 C 13 138.138 0.000 . . . . . . . 1 X C1 . 21086 1
2 . 1 . 1 1 1 UVR C3 C 13 126.063 0.000 . . . . . . . 1 X C3 . 21086 1
3 . 1 . 1 1 1 UVR C4 C 13 128.638 0.000 . . . . . . . 1 X C4 . 21086 1
4 . 1 . 1 1 1 UVR C6 C 13 129.755 0.000 . . . . . . . 1 X C6 . 21086 1
5 . 1 . 1 1 1 UVR CA C 13 60.930 0.009 . . . . . . . 1 X Ca . 21086 1
6 . 1 . 1 1 1 UVR CB C 13 46.825 0.000 . . . . . . . 1 X Cb . 21086 1
7 . 1 . 1 1 1 UVR CD C 13 58.840 0.000 . . . . . . . 1 X Cd . 21086 1
8 . 1 . 1 1 1 UVR CG C 13 34.396 0.005 . . . . . . . 1 X Cg . 21086 1
9 . 1 . 1 1 1 UVR H3 H 1 7.844 0.003 . . . . . . . 1 X H3 . 21086 1
10 . 1 . 1 1 1 UVR H4 H 1 7.517 0.001 . . . . . . . 1 X H4 . 21086 1
11 . 1 . 1 1 1 UVR H5 H 1 7.801 0.002 . . . . . . . 1 X H5 . 21086 1
12 . 1 . 1 1 1 UVR H6 H 1 7.693 0.002 . . . . . . . 1 X H6 . 21086 1
13 . 1 . 1 1 1 UVR HN H 1 3.128 0.003 . . . . . . . 1 X HN . 21086 1
14 . 1 . 1 1 1 UVR HA H 1 4.433 0.002 . . . . . . . 1 X Ha . 21086 1
15 . 1 . 1 1 1 UVR HB H 1 2.632 0.004 . . . . . . . 1 X Hb . 21086 1
16 . 1 . 1 1 1 UVR HD H 1 3.746 0.003 . . . . . . . 1 X Hd . 21086 1
17 . 1 . 1 1 1 UVR HG1 H 1 1.919 0.003 . . . . . . . 1 X Hg1 . 21086 1
18 . 1 . 1 1 1 UVR HG2 H 1 1.972 0.004 . . . . . . . 1 X Hg2 . 21086 1
19 . 1 . 1 2 2 UVR C1 C 13 137.131 0.000 . . . . . . . 2 Y C1 . 21086 1
20 . 1 . 1 2 2 UVR C4 C 13 128.777 0.000 . . . . . . . 2 Y C4 . 21086 1
21 . 1 . 1 2 2 UVR C5 C 13 127.103 0.000 . . . . . . . 2 Y C5 . 21086 1
22 . 1 . 1 2 2 UVR C6 C 13 129.913 0.020 . . . . . . . 2 Y C6 . 21086 1
23 . 1 . 1 2 2 UVR CA C 13 59.072 0.008 . . . . . . . 2 Y Ca . 21086 1
24 . 1 . 1 2 2 UVR CB C 13 47.297 0.000 . . . . . . . 2 Y Cb . 21086 1
25 . 1 . 1 2 2 UVR CD C 13 58.978 0.000 . . . . . . . 2 Y Cd . 21086 1
26 . 1 . 1 2 2 UVR CE C 13 171.809 0.000 . . . . . . . 2 Y Ce . 21086 1
27 . 1 . 1 2 2 UVR CG C 13 32.081 0.000 . . . . . . . 2 Y Cg . 21086 1
28 . 1 . 1 2 2 UVR H4 H 1 7.434 0.002 . . . . . . . 2 Y H4 . 21086 1
29 . 1 . 1 2 2 UVR H5 H 1 7.546 0.005 . . . . . . . 2 Y H5 . 21086 1
30 . 1 . 1 2 2 UVR H6 H 1 8.272 0.003 . . . . . . . 2 Y H6 . 21086 1
31 . 1 . 1 2 2 UVR HA H 1 4.622 0.002 . . . . . . . 2 Y Ha . 21086 1
32 . 1 . 1 2 2 UVR HB H 1 2.471 0.002 . . . . . . . 2 Y Hb . 21086 1
33 . 1 . 1 2 2 UVR HD H 1 3.956 0.003 . . . . . . . 2 Y Hd . 21086 1
34 . 1 . 1 2 2 UVR HG1 H 1 2.166 0.002 . . . . . . . 2 Y Hg1 . 21086 1
35 . 1 . 1 2 2 UVR HG2 H 1 1.688 0.007 . . . . . . . 2 Y Hg2 . 21086 1
36 . 1 . 1 3 3 UVR C C 13 171.743 0.025 . . . . . . . 3 Z C . 21086 1
37 . 1 . 1 3 3 UVR C1 C 13 137.459 0.067 . . . . . . . 3 Z C1 . 21086 1
38 . 1 . 1 3 3 UVR C3 C 13 125.726 0.000 . . . . . . . 3 Z C3 . 21086 1
39 . 1 . 1 3 3 UVR C4 C 13 127.731 0.000 . . . . . . . 3 Z C4 . 21086 1
40 . 1 . 1 3 3 UVR C6 C 13 127.749 0.009 . . . . . . . 3 Z C6 . 21086 1
41 . 1 . 1 3 3 UVR CA C 13 61.629 0.010 . . . . . . . 3 Z Ca . 21086 1
42 . 1 . 1 3 3 UVR CB C 13 47.164 0.000 . . . . . . . 3 Z Cb . 21086 1
43 . 1 . 1 3 3 UVR CD C 13 60.561 0.023 . . . . . . . 3 Z Cd . 21086 1
44 . 1 . 1 3 3 UVR CE C 13 171.700 0.010 . . . . . . . 3 Z Ce . 21086 1
45 . 1 . 1 3 3 UVR CG C 13 32.323 0.000 . . . . . . . 3 Z Cg . 21086 1
46 . 1 . 1 3 3 UVR H3 H 1 7.499 0.001 . . . . . . . 3 Z H3 . 21086 1
47 . 1 . 1 3 3 UVR H4 H 1 7.274 0.002 . . . . . . . 3 Z H4 . 21086 1
48 . 1 . 1 3 3 UVR H5 H 1 7.389 0.001 . . . . . . . 3 Z H5 . 21086 1
49 . 1 . 1 3 3 UVR H6 H 1 7.539 0.003 . . . . . . . 3 Z H6 . 21086 1
50 . 1 . 1 3 3 UVR HA H 1 5.168 0.004 . . . . . . . 3 Z Ha . 21086 1
51 . 1 . 1 3 3 UVR HB H 1 3.444 0.001 . . . . . . . 3 Z Hb . 21086 1
52 . 1 . 1 3 3 UVR HD H 1 4.284 0.001 . . . . . . . 3 Z Hd . 21086 1
53 . 1 . 1 3 3 UVR HG1 H 1 2.547 0.003 . . . . . . . 3 Z Hg1 . 21086 1
54 . 1 . 1 3 3 UVR HG2 H 1 2.643 0.003 . . . . . . . 3 Z Hg2 . 21086 1
55 . 1 . 1 3 3 UVR CM1 C 13 73.804 0.000 . . . . . . . 3 Z CM1 . 21086 1
56 . 1 . 1 3 3 UVR CM10 C 13 16.785 0.016 . . . . . . . 3 Z CM10 . 21086 1
57 . 1 . 1 3 3 UVR CM2 C 13 46.538 0.000 . . . . . . . 3 Z CM2 . 21086 1
58 . 1 . 1 3 3 UVR CM3 C 13 23.323 0.000 . . . . . . . 3 Z CM3 . 21086 1
59 . 1 . 1 3 3 UVR CM4 C 13 33.834 0.005 . . . . . . . 3 Z CM4 . 21086 1
60 . 1 . 1 3 3 UVR CM5 C 13 30.698 0.000 . . . . . . . 3 Z CM5 . 21086 1
61 . 1 . 1 3 3 UVR CM6 C 13 39.185 0.015 . . . . . . . 3 Z CM6 . 21086 1
62 . 1 . 1 3 3 UVR CM7 C 13 22.019 0.000 . . . . . . . 3 Z CM7 . 21086 1
63 . 1 . 1 3 3 UVR CM8 C 13 26.255 0.000 . . . . . . . 3 Z CM8 . 21086 1
64 . 1 . 1 3 3 UVR CM9 C 13 20.874 0.001 . . . . . . . 3 Z CM9 . 21086 1
65 . 1 . 1 3 3 UVR H1 H 1 4.067 0.003 . . . . . . . 3 Z H1 . 21086 1
66 . 1 . 1 3 3 UVR H101 H 1 0.592 0.001 . 1 . . . . . 3 Z H10* . 21086 1
67 . 1 . 1 3 3 UVR H102 H 1 0.592 0.001 . 1 . . . . . 3 Z H10* . 21086 1
68 . 1 . 1 3 3 UVR H103 H 1 0.592 0.001 . 1 . . . . . 3 Z H10* . 21086 1
69 . 1 . 1 3 3 UVR H2 H 1 0.937 0.002 . . . . . . . 3 Z H2 . 21086 1
70 . 1 . 1 3 3 UVR H31 H 1 0.818 0.003 . . . . . . . 3 Z H31 . 21086 1
71 . 1 . 1 3 3 UVR H32 H 1 1.450 0.001 . . . . . . . 3 Z H32 . 21086 1
72 . 1 . 1 3 3 UVR H41 H 1 0.554 0.000 . . . . . . . 3 Z H41 . 21086 1
73 . 1 . 1 3 3 UVR H42 H 1 1.443 0.000 . . . . . . . 3 Z H42 . 21086 1
74 . 1 . 1 3 3 UVR H61 H 1 -0.250 0.005 . . . . . . . 3 Z H61 . 21086 1
75 . 1 . 1 3 3 UVR H62 H 1 0.377 0.001 . . . . . . . 3 Z H62 . 21086 1
76 . 1 . 1 3 3 UVR H71 H 1 0.605 0.006 . 1 . . . . . 3 Z H7* . 21086 1
77 . 1 . 1 3 3 UVR H72 H 1 0.605 0.006 . 1 . . . . . 3 Z H7* . 21086 1
78 . 1 . 1 3 3 UVR H73 H 1 0.605 0.006 . 1 . . . . . 3 Z H7* . 21086 1
79 . 1 . 1 3 3 UVR H8 H 1 1.598 0.002 . . . . . . . 3 Z H8 . 21086 1
80 . 1 . 1 3 3 UVR H91 H 1 0.757 0.000 . 1 . . . . . 3 Z H9* . 21086 1
81 . 1 . 1 3 3 UVR H92 H 1 0.757 0.000 . 1 . . . . . 3 Z H9* . 21086 1
82 . 1 . 1 3 3 UVR H93 H 1 0.757 0.000 . 1 . . . . . 3 Z H9* . 21086 1
83 . 1 . 1 3 3 UVR HM5 H 1 1.070 0.000 . . . . . . . 3 Z HM5 . 21086 1
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