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 21067
_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 21067 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21067 1
3 '2D DQF-COSY' 1 $sample_1 isotropic 21067 1
4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21067 1
6 '2D 1H-13C HMBC' 1 $sample_1 isotropic 21067 1
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.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 13 170.128 0.009 . . . . . . . 1 X C . 21067 1
2 . 1 1 1 1 UVR C21 C 13 126.310 0.009 . 3 . . . . . 1 X C2* . 21067 1
3 . 1 1 1 1 UVR C22 C 13 126.310 0.009 . 3 . . . . . 1 X C2* . 21067 1
4 . 1 1 1 1 UVR CA C 13 62.759 0.009 . . . . . . . 1 X Ca . 21067 1
5 . 1 1 1 1 UVR CB C 13 46.995 0.009 . . . . . . . 1 X Cb . 21067 1
6 . 1 1 1 1 UVR CD C 13 58.785 0.009 . . . . . . . 1 X Cd . 21067 1
7 . 1 1 1 1 UVR CG C 13 32.541 0.009 . . . . . . . 1 X Cg . 21067 1
8 . 1 1 1 1 UVR H21 H 1 7.344 0.004 . 3 . . . . . 1 X H2* . 21067 1
9 . 1 1 1 1 UVR H22 H 1 7.344 0.004 . 3 . . . . . 1 X H2* . 21067 1
10 . 1 1 1 1 UVR H31 H 1 7.398 0.004 . 3 . . . . . 1 X H3* . 21067 1
11 . 1 1 1 1 UVR H32 H 1 7.398 0.004 . 3 . . . . . 1 X H3* . 21067 1
12 . 1 1 1 1 UVR HA H 1 4.815 0.004 . . . . . . . 1 X Ha . 21067 1
13 . 1 1 1 1 UVR HB H 1 2.964 0.004 . . . . . . . 1 X Hb . 21067 1
14 . 1 1 1 1 UVR HD H 1 3.649 0.004 . . . . . . . 1 X Hd . 21067 1
15 . 1 1 1 1 UVR HG1 H 1 2.101 0.004 . . . . . . . 1 X Hg1 . 21067 1
16 . 1 1 1 1 UVR HG2 H 1 1.737 0.004 . . . . . . . 1 X Hg2 . 21067 1
17 . 1 1 1 1 UVR HZ1 H 1 3.870 0.004 . 1 . . . . . 1 X Hz* . 21067 1
18 . 1 1 1 1 UVR HZ2 H 1 3.870 0.004 . 1 . . . . . 1 X Hz* . 21067 1
19 . 1 1 1 1 UVR HZ3 H 1 3.870 0.004 . 1 . . . . . 1 X Hz* . 21067 1
20 . 1 1 2 2 UVR C C 13 165.990 0.009 . . . . . . . 2 Y C . 21067 1
21 . 1 1 2 2 UVR C21 C 13 125.839 0.009 . 3 . . . . . 2 Y C2* . 21067 1
22 . 1 1 2 2 UVR C22 C 13 125.839 0.009 . 3 . . . . . 2 Y C2* . 21067 1
23 . 1 1 2 2 UVR CA C 13 60.467 0.009 . . . . . . . 2 Y Ca . 21067 1
24 . 1 1 2 2 UVR CB C 13 47.071 0.009 . . . . . . . 2 Y Cb . 21067 1
25 . 1 1 2 2 UVR CD C 13 57.840 0.009 . . . . . . . 2 Y Cd . 21067 1
26 . 1 1 2 2 UVR CG C 13 28.157 0.009 . . . . . . . 2 Y Cg . 21067 1
27 . 1 1 2 2 UVR H21 H 1 7.353 0.004 . 3 . . . . . 2 Y H2* . 21067 1
28 . 1 1 2 2 UVR H22 H 1 7.353 0.004 . 3 . . . . . 2 Y H2* . 21067 1
29 . 1 1 2 2 UVR H31 H 1 7.416 0.004 . 3 . . . . . 2 Y H3* . 21067 1
30 . 1 1 2 2 UVR H32 H 1 7.416 0.004 . 3 . . . . . 2 Y H3* . 21067 1
31 . 1 1 2 2 UVR HA H 1 5.301 0.004 . . . . . . . 2 Y Ha . 21067 1
32 . 1 1 2 2 UVR HB H 1 2.692 0.004 . . . . . . . 2 Y Hb . 21067 1
33 . 1 1 2 2 UVR HD H 1 3.041 0.004 . . . . . . . 2 Y Hd . 21067 1
34 . 1 1 2 2 UVR HG1 H 1 1.679 0.004 . . . . . . . 2 Y Hg1 . 21067 1
35 . 1 1 2 2 UVR HG2 H 1 2.019 0.004 . . . . . . . 2 Y Hg2 . 21067 1
36 . 1 1 2 2 UVR HZ1 H 1 3.557 0.004 . 1 . . . . . 2 Y Hz* . 21067 1
37 . 1 1 2 2 UVR HZ2 H 1 3.557 0.004 . 1 . . . . . 2 Y Hz* . 21067 1
38 . 1 1 2 2 UVR HZ3 H 1 3.557 0.004 . 1 . . . . . 2 Y Hz* . 21067 1
39 . 1 1 3 3 UVR C C 13 167.648 0.009 . . . . . . . 3 X C . 21067 1
40 . 1 1 3 3 UVR C21 C 13 126.827 0.009 . 3 . . . . . 3 X C2* . 21067 1
41 . 1 1 3 3 UVR C22 C 13 126.827 0.009 . 3 . . . . . 3 X C2* . 21067 1
42 . 1 1 3 3 UVR CA C 13 61.837 0.009 . . . . . . . 3 X Ca . 21067 1
43 . 1 1 3 3 UVR CB C 13 46.777 0.009 . . . . . . . 3 X Cb . 21067 1
44 . 1 1 3 3 UVR CD C 13 58.535 0.009 . . . . . . . 3 X Cd . 21067 1
45 . 1 1 3 3 UVR CG C 13 29.586 0.009 . . . . . . . 3 X Cg . 21067 1
46 . 1 1 3 3 UVR H21 H 1 7.348 0.004 . 3 . . . . . 3 X H2* . 21067 1
47 . 1 1 3 3 UVR H22 H 1 7.348 0.004 . 3 . . . . . 3 X H2* . 21067 1
48 . 1 1 3 3 UVR H31 H 1 7.042 0.004 . 3 . . . . . 3 X H3* . 21067 1
49 . 1 1 3 3 UVR H32 H 1 7.042 0.004 . 3 . . . . . 3 X H3* . 21067 1
50 . 1 1 3 3 UVR HA H 1 5.726 0.004 . . . . . . . 3 X Ha . 21067 1
51 . 1 1 3 3 UVR HB H 1 3.668 0.004 . . . . . . . 3 X Hb . 21067 1
52 . 1 1 3 3 UVR HD H 1 3.757 0.004 . . . . . . . 3 X Hd . 21067 1
53 . 1 1 3 3 UVR HG1 H 1 2.058 0.004 . . . . . . . 3 X Hg1 . 21067 1
54 . 1 1 3 3 UVR HG2 H 1 2.227 0.004 . . . . . . . 3 X Hg2 . 21067 1
55 . 1 1 3 3 UVR HZ1 H 1 3.683 0.004 . 1 . . . . . 3 X Hz* . 21067 1
56 . 1 1 3 3 UVR HZ2 H 1 3.683 0.004 . 1 . . . . . 3 X Hz* . 21067 1
57 . 1 1 3 3 UVR HZ3 H 1 3.683 0.004 . 1 . . . . . 3 X Hz* . 21067 1
58 . 1 1 4 4 UVR C C 13 168.373 0.009 . . . . . . . 4 Z C . 21067 1
59 . 1 1 4 4 UVR C21 C 13 128.188 0.009 . 3 . . . . . 4 Z C2* . 21067 1
60 . 1 1 4 4 UVR C22 C 13 128.188 0.009 . 3 . . . . . 4 Z C2* . 21067 1
61 . 1 1 4 4 UVR CA C 13 62.881 0.009 . . . . . . . 4 Z Ca . 21067 1
62 . 1 1 4 4 UVR CB C 13 46.559 0.009 . . . . . . . 4 Z Cb . 21067 1
63 . 1 1 4 4 UVR CD C 13 59.123 0.009 . . . . . . . 4 Z Cd . 21067 1
64 . 1 1 4 4 UVR CE C 13 173.978 0.009 . . . . . . . 4 Z Ce . 21067 1
65 . 1 1 4 4 UVR CG C 13 31.283 0.009 . . . . . . . 4 Z Cg . 21067 1
66 . 1 1 4 4 UVR H21 H 1 7.335 0.004 . 3 . . . . . 4 Z H2* . 21067 1
67 . 1 1 4 4 UVR H22 H 1 7.335 0.004 . 3 . . . . . 4 Z H2* . 21067 1
68 . 1 1 4 4 UVR H31 H 1 7.264 0.004 . 3 . . . . . 4 Z H3* . 21067 1
69 . 1 1 4 4 UVR H32 H 1 7.264 0.004 . 3 . . . . . 4 Z H3* . 21067 1
70 . 1 1 4 4 UVR HA H 1 5.369 0.004 . . . . . . . 4 Z Ha . 21067 1
71 . 1 1 4 4 UVR HB H 1 3.511 0.004 . . . . . . . 4 Z Hb . 21067 1
72 . 1 1 4 4 UVR HD H 1 5.410 0.004 . . . . . . . 4 Z Hd . 21067 1
73 . 1 1 4 4 UVR HG1 H 1 2.716 0.004 . . . . . . . 4 Z Hg1 . 21067 1
74 . 1 1 4 4 UVR HG2 H 1 2.659 0.004 . . . . . . . 4 Z Hg2 . 21067 1
75 . 1 1 4 4 UVR HZ1 H 1 3.870 0.004 . 1 . . . . . 4 Z Hz* . 21067 1
76 . 1 1 4 4 UVR HZ2 H 1 3.870 0.004 . 1 . . . . . 4 Z Hz* . 21067 1
77 . 1 1 4 4 UVR HZ3 H 1 3.870 0.004 . 1 . . . . . 4 Z Hz* . 21067 1
78 . 1 1 4 4 UVR CT1 C 13 26.924 0.009 . 1 . . . . . 4 Z CT* . 21067 1
79 . 1 1 4 4 UVR CT2 C 13 26.924 0.009 . 1 . . . . . 4 Z CT* . 21067 1
80 . 1 1 4 4 UVR CT3 C 13 26.924 0.009 . 1 . . . . . 4 Z CT* . 21067 1
81 . 1 1 4 4 UVR HT11 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
82 . 1 1 4 4 UVR HT12 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
83 . 1 1 4 4 UVR HT13 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
84 . 1 1 4 4 UVR HT21 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
85 . 1 1 4 4 UVR HT22 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
86 . 1 1 4 4 UVR HT23 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
87 . 1 1 4 4 UVR HT31 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
88 . 1 1 4 4 UVR HT32 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
89 . 1 1 4 4 UVR HT33 H 1 1.048 0.004 . 1 . . . . . 4 Z HT* . 21067 1
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