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 21068
_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 21068 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21068 1
3 '2D DQF-COSY' 1 $sample_1 isotropic 21068 1
4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21068 1
6 '2D 1H-13C HMBC' 1 $sample_1 isotropic 21068 1
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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 CA C 13 63.198 0.009 . . . . . . . 1 Y Ca . 21068 1
2 . 1 1 1 1 UVR CB C 13 46.676 0.009 . . . . . . . 1 Y Cb . 21068 1
3 . 1 1 1 1 UVR CD C 13 58.893 0.009 . . . . . . . 1 Y Cd . 21068 1
4 . 1 1 1 1 UVR CG C 13 32.552 0.009 . . . . . . . 1 Y Cg . 21068 1
5 . 1 1 1 1 UVR H21 H 1 7.413 0.004 . 3 . . . . . 1 Y H2* . 21068 1
6 . 1 1 1 1 UVR H22 H 1 7.413 0.004 . 3 . . . . . 1 Y H2* . 21068 1
7 . 1 1 1 1 UVR H31 H 1 7.049 0.004 . 3 . . . . . 1 Y H3* . 21068 1
8 . 1 1 1 1 UVR H32 H 1 7.049 0.004 . 3 . . . . . 1 Y H3* . 21068 1
9 . 1 1 1 1 UVR HA H 1 4.750 0.004 . . . . . . . 1 Y Ha . 21068 1
10 . 1 1 1 1 UVR HB H 1 2.978 0.004 . . . . . . . 1 Y Hb . 21068 1
11 . 1 1 1 1 UVR HD H 1 3.633 0.004 . . . . . . . 1 Y Hd . 21068 1
12 . 1 1 1 1 UVR HG1 H 1 1.719 0.004 . . . . . . . 1 Y Hg1 . 21068 1
13 . 1 1 1 1 UVR HG2 H 1 2.089 0.004 . . . . . . . 1 Y Hg2 . 21068 1
14 . 1 1 1 1 UVR HZ1 H 1 3.822 0.004 . 1 . . . . . 1 Y Hz* . 21068 1
15 . 1 1 1 1 UVR HZ2 H 1 3.822 0.004 . 1 . . . . . 1 Y Hz* . 21068 1
16 . 1 1 1 1 UVR HZ3 H 1 3.822 0.004 . 1 . . . . . 1 Y Hz* . 21068 1
17 . 1 1 2 2 UVR CA C 13 60.754 0.009 . . . . . . . 2 X Ca . 21068 1
18 . 1 1 2 2 UVR CB C 13 46.821 0.009 . . . . . . . 2 X Cb . 21068 1
19 . 1 1 2 2 UVR CD C 13 57.936 0.009 . . . . . . . 2 X Cd . 21068 1
20 . 1 1 2 2 UVR CG C 13 28.346 0.009 . . . . . . . 2 X Cg . 21068 1
21 . 1 1 2 2 UVR H21 H 1 7.329 0.004 . 3 . . . . . 2 X H2* . 21068 1
22 . 1 1 2 2 UVR H22 H 1 7.329 0.004 . 3 . . . . . 2 X H2* . 21068 1
23 . 1 1 2 2 UVR HA H 1 5.172 0.004 . . . . . . . 2 X Ha . 21068 1
24 . 1 1 2 2 UVR HB H 1 2.638 0.004 . . . . . . . 2 X Hb . 21068 1
25 . 1 1 2 2 UVR HD H 1 2.981 0.004 . . . . . . . 2 X Hd . 21068 1
26 . 1 1 2 2 UVR HG1 H 1 1.670 0.004 . . . . . . . 2 X Hg1 . 21068 1
27 . 1 1 2 2 UVR HG2 H 1 2.083 0.004 . . . . . . . 2 X Hg2 . 21068 1
28 . 1 1 3 3 UVR CA C 13 62.010 0.009 . . . . . . . 3 Y Ca . 21068 1
29 . 1 1 3 3 UVR CB C 13 47.040 0.009 . . . . . . . 3 Y Cb . 21068 1
30 . 1 1 3 3 UVR CD C 13 58.395 0.009 . . . . . . . 3 Y Cd . 21068 1
31 . 1 1 3 3 UVR CG C 13 29.507 0.009 . . . . . . . 3 Y Cg . 21068 1
32 . 1 1 3 3 UVR H21 H 1 7.652 0.004 . 3 . . . . . 3 Y H2* . 21068 1
33 . 1 1 3 3 UVR H22 H 1 7.652 0.004 . 3 . . . . . 3 Y H2* . 21068 1
34 . 1 1 3 3 UVR H31 H 1 6.955 0.004 . 3 . . . . . 3 Y H3* . 21068 1
35 . 1 1 3 3 UVR H32 H 1 6.955 0.004 . 3 . . . . . 3 Y H3* . 21068 1
36 . 1 1 3 3 UVR HA H 1 5.662 0.004 . . . . . . . 3 Y Ha . 21068 1
37 . 1 1 3 3 UVR HB H 1 3.644 0.004 . . . . . . . 3 Y Hb . 21068 1
38 . 1 1 3 3 UVR HD H 1 3.585 0.004 . . . . . . . 3 Y Hd . 21068 1
39 . 1 1 3 3 UVR HG1 H 1 1.944 0.004 . . . . . . . 3 Y Hg1 . 21068 1
40 . 1 1 3 3 UVR HG2 H 1 2.148 0.004 . . . . . . . 3 Y Hg2 . 21068 1
41 . 1 1 4 4 UVR CA C 13 64.218 0.009 . . . . . . . 4 X Ca . 21068 1
42 . 1 1 4 4 UVR CB C 13 44.745 0.009 . . . . . . . 4 X Cb . 21068 1
43 . 1 1 4 4 UVR CD C 13 60.277 0.009 . . . . . . . 4 X Cd . 21068 1
44 . 1 1 4 4 UVR CG C 13 31.652 0.009 . . . . . . . 4 X Cg . 21068 1
45 . 1 1 4 4 UVR H21 H 1 7.485 0.004 . 3 . . . . . 4 X H2* . 21068 1
46 . 1 1 4 4 UVR H22 H 1 7.485 0.004 . 3 . . . . . 4 X H2* . 21068 1
47 . 1 1 4 4 UVR H31 H 1 7.366 0.004 . 3 . . . . . 4 X H3* . 21068 1
48 . 1 1 4 4 UVR H32 H 1 7.366 0.004 . 3 . . . . . 4 X H3* . 21068 1
49 . 1 1 4 4 UVR HA H 1 5.434 0.004 . . . . . . . 4 X Ha . 21068 1
50 . 1 1 4 4 UVR HB H 1 3.155 0.004 . . . . . . . 4 X Hb . 21068 1
51 . 1 1 4 4 UVR HD H 1 5.516 0.004 . . . . . . . 4 X Hd . 21068 1
52 . 1 1 4 4 UVR HG1 H 1 2.297 0.004 . . . . . . . 4 X Hg1 . 21068 1
53 . 1 1 4 4 UVR HG2 H 1 2.520 0.004 . . . . . . . 4 X Hg2 . 21068 1
54 . 1 1 5 5 UVR CA C 13 61.683 0.009 . . . . . . . 5 Z Ca . 21068 1
55 . 1 1 5 5 UVR CB C 13 48.844 0.009 . . . . . . . 5 Z Cb . 21068 1
56 . 1 1 5 5 UVR CD C 13 58.128 0.009 . . . . . . . 5 Z Cd . 21068 1
57 . 1 1 5 5 UVR CG C 13 27.603 0.009 . . . . . . . 5 Z Cg . 21068 1
58 . 1 1 5 5 UVR H21 H 1 7.575 0.004 . 3 . . . . . 5 Z H2* . 21068 1
59 . 1 1 5 5 UVR H22 H 1 7.575 0.004 . 3 . . . . . 5 Z H2* . 21068 1
60 . 1 1 5 5 UVR H31 H 1 7.351 0.004 . 3 . . . . . 5 Z H3* . 21068 1
61 . 1 1 5 5 UVR H32 H 1 7.351 0.004 . 3 . . . . . 5 Z H3* . 21068 1
62 . 1 1 5 5 UVR HA H 1 4.794 0.004 . . . . . . . 5 Z Ha . 21068 1
63 . 1 1 5 5 UVR HB H 1 2.403 0.004 . . . . . . . 5 Z Hb . 21068 1
64 . 1 1 5 5 UVR HD H 1 3.538 0.004 . . . . . . . 5 Z Hd . 21068 1
65 . 1 1 5 5 UVR HG1 H 1 1.946 0.004 . . . . . . . 5 Z Hg1 . 21068 1
66 . 1 1 5 5 UVR HG2 H 1 2.015 0.004 . . . . . . . 5 Z Hg2 . 21068 1
67 . 1 1 5 5 UVR CT1 C 13 27.067 0.009 . 1 . . . . . 5 Z CT* . 21068 1
68 . 1 1 5 5 UVR CT2 C 13 27.067 0.009 . 1 . . . . . 5 Z CT* . 21068 1
69 . 1 1 5 5 UVR CT3 C 13 27.067 0.009 . 1 . . . . . 5 Z CT* . 21068 1
70 . 1 1 5 5 UVR HT11 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
71 . 1 1 5 5 UVR HT12 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
72 . 1 1 5 5 UVR HT13 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
73 . 1 1 5 5 UVR HT21 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
74 . 1 1 5 5 UVR HT22 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
75 . 1 1 5 5 UVR HT23 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
76 . 1 1 5 5 UVR HT31 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
77 . 1 1 5 5 UVR HT32 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
78 . 1 1 5 5 UVR HT33 H 1 1.103 0.004 . 1 . . . . . 5 Z HT* . 21068 1
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