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 21065
_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 21065 1
2 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 21065 1
3 '2D DQF-COSY' 1 $sample_1 isotropic 21065 1
4 '2D 1H-1H NOESY' 1 $sample_1 isotropic 21065 1
6 '2D 1H-13C HMBC' 1 $sample_1 isotropic 21065 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 33.238 0.009 . . . . . . . 1 X C . 21065 1
2 . 1 1 1 1 UVR C1 C 13 139.751 0.009 . . . . . . . 1 X C1 . 21065 1
3 . 1 1 1 1 UVR C21 C 13 126.663 0.009 . 3 . . . . . 1 X C2# . 21065 1
4 . 1 1 1 1 UVR C22 C 13 126.663 0.009 . 3 . . . . . 1 X C2# . 21065 1
5 . 1 1 1 1 UVR CA C 13 64.159 0.009 . . . . . . . 1 X Ca . 21065 1
6 . 1 1 1 1 UVR CB C 13 46.432 0.009 . . . . . . . 1 X Cb . 21065 1
7 . 1 1 1 1 UVR CD C 13 58.777 0.009 . . . . . . . 1 X Cd . 21065 1
8 . 1 1 1 1 UVR CE C 13 173.041 0.009 . . . . . . . 1 X Ce . 21065 1
9 . 1 1 1 1 UVR CG C 13 33.238 0.009 . . . . . . . 1 X Cg . 21065 1
10 . 1 1 1 1 UVR H21 H 1 7.366 0.004 . 3 . . . . . 1 X H2# . 21065 1
11 . 1 1 1 1 UVR H22 H 1 7.366 0.004 . 3 . . . . . 1 X H2# . 21065 1
12 . 1 1 1 1 UVR H31 H 1 7.327 0.004 . 3 . . . . . 1 X H3# . 21065 1
13 . 1 1 1 1 UVR H32 H 1 7.327 0.004 . 3 . . . . . 1 X H3# . 21065 1
14 . 1 1 1 1 UVR HA H 1 4.513 0.004 . . . . . . . 1 X Ha . 21065 1
15 . 1 1 1 1 UVR HB H 1 3.016 0.004 . . . . . . . 1 X Hb . 21065 1
16 . 1 1 1 1 UVR HD H 1 3.720 0.004 . . . . . . . 1 X Hd . 21065 1
17 . 1 1 1 1 UVR HG1 H 1 1.788 0.004 . . . . . . . 1 X Hg1 . 21065 1
18 . 1 1 1 1 UVR HG2 H 1 1.962 0.004 . . . . . . . 1 X Hg2 . 21065 1
19 . 1 1 1 1 UVR HZ1 H 1 3.645 0.004 . 1 . . . . . 1 X Hz# . 21065 1
20 . 1 1 1 1 UVR HZ2 H 1 3.645 0.004 . 1 . . . . . 1 X Hz# . 21065 1
21 . 1 1 1 1 UVR HZ3 H 1 3.645 0.004 . 1 . . . . . 1 X Hz# . 21065 1
22 . 1 1 2 2 UVR C C 13 166.792 0.009 . . . . . . . 2 Y C . 21065 1
23 . 1 1 2 2 UVR C1 C 13 138.765 0.009 . . . . . . . 2 Y C1 . 21065 1
24 . 1 1 2 2 UVR C21 C 13 126.301 0.009 . 3 . . . . . 2 Y C2# . 21065 1
25 . 1 1 2 2 UVR C22 C 13 126.301 0.009 . 3 . . . . . 2 Y C2# . 21065 1
26 . 1 1 2 2 UVR CA C 13 60.918 0.009 . . . . . . . 2 Y Ca . 21065 1
27 . 1 1 2 2 UVR CB C 13 46.508 0.009 . . . . . . . 2 Y Cb . 21065 1
28 . 1 1 2 2 UVR CD C 13 58.175 0.009 . . . . . . . 2 Y Cd . 21065 1
29 . 1 1 2 2 UVR CE C 13 171.239 0.009 . . . . . . . 2 Y Ce . 21065 1
30 . 1 1 2 2 UVR CG C 13 28.783 0.009 . . . . . . . 2 Y Cg . 21065 1
31 . 1 1 2 2 UVR H21 H 1 7.428 0.004 . 3 . . . . . 2 Y H2# . 21065 1
32 . 1 1 2 2 UVR H22 H 1 7.428 0.004 . 3 . . . . . 2 Y H2# . 21065 1
33 . 1 1 2 2 UVR H31 H 1 7.269 0.004 . 3 . . . . . 2 Y H3# . 21065 1
34 . 1 1 2 2 UVR H32 H 1 7.269 0.004 . 3 . . . . . 2 Y H3# . 21065 1
35 . 1 1 2 2 UVR HA H 1 5.007 0.004 . . . . . . . 2 Y Ha . 21065 1
36 . 1 1 2 2 UVR HB H 1 2.682 0.004 . . . . . . . 2 Y Hb . 21065 1
37 . 1 1 2 2 UVR HD H 1 3.316 0.004 . . . . . . . 2 Y Hd . 21065 1
38 . 1 1 2 2 UVR HG1 H 1 1.546 0.004 . . . . . . . 2 Y Hg1 . 21065 1
39 . 1 1 2 2 UVR HG2 H 1 2.046 0.004 . . . . . . . 2 Y Hg2 . 21065 1
40 . 1 1 2 2 UVR HZ1 H 1 3.569 0.004 . 1 . . . . . 2 Y Hz# . 21065 1
41 . 1 1 2 2 UVR HZ2 H 1 3.569 0.004 . 1 . . . . . 2 Y Hz# . 21065 1
42 . 1 1 2 2 UVR HZ3 H 1 3.569 0.004 . 1 . . . . . 2 Y Hz# . 21065 1
43 . 1 1 3 3 UVR C C 13 167.321 0.009 . . . . . . . 3 X C . 21065 1
44 . 1 1 3 3 UVR C1 C 13 138.202 0.009 . . . . . . . 3 X C1 . 21065 1
45 . 1 1 3 3 UVR C21 C 13 126.644 0.009 . 3 . . . . . 3 X C2# . 21065 1
46 . 1 1 3 3 UVR C22 C 13 126.644 0.009 . 3 . . . . . 3 X C2# . 21065 1
47 . 1 1 3 3 UVR CA C 13 61.329 0.009 . . . . . . . 3 X Ca . 21065 1
48 . 1 1 3 3 UVR CB C 13 46.766 0.009 . . . . . . . 3 X Cb . 21065 1
49 . 1 1 3 3 UVR CD C 13 59.029 0.009 . . . . . . . 3 X Cd . 21065 1
50 . 1 1 3 3 UVR CG C 13 29.276 0.009 . . . . . . . 3 X Cg . 21065 1
51 . 1 1 3 3 UVR H21 H 1 7.595 0.004 . 3 . . . . . 3 X H2# . 21065 1
52 . 1 1 3 3 UVR H22 H 1 7.595 0.004 . 3 . . . . . 3 X H2# . 21065 1
53 . 1 1 3 3 UVR H31 H 1 7.466 0.004 . 3 . . . . . 3 X H3# . 21065 1
54 . 1 1 3 3 UVR H32 H 1 7.466 0.004 . 3 . . . . . 3 X H3# . 21065 1
55 . 1 1 3 3 UVR H4 H 1 7.399 0.004 . . . . . . . 3 X H4 . 21065 1
56 . 1 1 3 3 UVR HA H 1 5.525 0.004 . . . . . . . 3 X Ha . 21065 1
57 . 1 1 3 3 UVR HB H 1 3.209 0.004 . . . . . . . 3 X Hb . 21065 1
58 . 1 1 3 3 UVR HD H 1 3.357 0.004 . . . . . . . 3 X Hd . 21065 1
59 . 1 1 3 3 UVR HG1 H 1 1.996 0.004 . . . . . . . 3 X Hg1 . 21065 1
60 . 1 1 3 3 UVR HG2 H 1 1.743 0.004 . . . . . . . 3 X Hg2 . 21065 1
61 . 1 1 3 3 UVR HZ1 H 1 3.509 0.004 . 1 . . . . . 3 X Hz# . 21065 1
62 . 1 1 3 3 UVR HZ2 H 1 3.509 0.004 . 1 . . . . . 3 X Hz# . 21065 1
63 . 1 1 3 3 UVR HZ3 H 1 3.509 0.004 . 1 . . . . . 3 X Hz# . 21065 1
64 . 1 1 4 4 UVR C C 13 167.189 0.009 . . . . . . . 4 Z C . 21065 1
65 . 1 1 4 4 UVR C1 C 13 138.070 0.009 . . . . . . . 4 Z C1 . 21065 1
66 . 1 1 4 4 UVR C21 C 13 127.465 0.009 . 3 . . . . . 4 Z C2# . 21065 1
67 . 1 1 4 4 UVR C22 C 13 127.465 0.009 . 3 . . . . . 4 Z C2# . 21065 1
68 . 1 1 4 4 UVR CA C 13 62.040 0.009 . . . . . . . 4 Z Ca . 21065 1
69 . 1 1 4 4 UVR CB C 13 49.377 0.009 . . . . . . . 4 Z Cb . 21065 1
70 . 1 1 4 4 UVR CD C 13 58.501 0.009 . . . . . . . 4 Z Cd . 21065 1
71 . 1 1 4 4 UVR CE C 13 171.263 0.009 . . . . . . . 4 Z Ce . 21065 1
72 . 1 1 4 4 UVR CG C 13 28.109 0.009 . . . . . . . 4 Z Cg . 21065 1
73 . 1 1 4 4 UVR H21 H 1 7.778 0.004 . 3 . . . . . 4 Z H2# . 21065 1
74 . 1 1 4 4 UVR H22 H 1 7.778 0.004 . 3 . . . . . 4 Z H2# . 21065 1
75 . 1 1 4 4 UVR H31 H 1 7.519 0.004 . 3 . . . . . 4 Z H3# . 21065 1
76 . 1 1 4 4 UVR H32 H 1 7.519 0.004 . 3 . . . . . 4 Z H3# . 21065 1
77 . 1 1 4 4 UVR H4 H 1 7.444 0.004 . . . . . . . 4 Z H4 . 21065 1
78 . 1 1 4 4 UVR HA H 1 5.464 0.004 . . . . . . . 4 Z Ha . 21065 1
79 . 1 1 4 4 UVR HB H 1 3.514 0.004 . . . . . . . 4 Z Hb . 21065 1
80 . 1 1 4 4 UVR HD H 1 3.804 0.004 . . . . . . . 4 Z Hd . 21065 1
81 . 1 1 4 4 UVR HG1 H 1 2.288 0.004 . . . . . . . 4 Z Hg1 . 21065 1
82 . 1 1 4 4 UVR HG2 H 1 2.145 0.004 . . . . . . . 4 Z Hg2 . 21065 1
83 . 1 1 4 4 UVR HZ1 H 1 3.629 0.004 . 1 . . . . . 4 Z Hz# . 21065 1
84 . 1 1 4 4 UVR HZ2 H 1 3.629 0.004 . 1 . . . . . 4 Z Hz# . 21065 1
85 . 1 1 4 4 UVR HZ3 H 1 3.629 0.004 . 1 . . . . . 4 Z Hz# . 21065 1
86 . 1 1 4 4 UVR CT1 C 13 27.100 0.009 . 1 . . . . . 4 Z CT# . 21065 1
87 . 1 1 4 4 UVR CT2 C 13 27.100 0.009 . 1 . . . . . 4 Z CT# . 21065 1
88 . 1 1 4 4 UVR CT3 C 13 27.100 0.009 . 1 . . . . . 4 Z CT# . 21065 1
89 . 1 1 4 4 UVR HT11 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
90 . 1 1 4 4 UVR HT12 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
91 . 1 1 4 4 UVR HT13 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
92 . 1 1 4 4 UVR HT21 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
93 . 1 1 4 4 UVR HT22 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
94 . 1 1 4 4 UVR HT23 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
95 . 1 1 4 4 UVR HT31 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
96 . 1 1 4 4 UVR HT32 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
97 . 1 1 4 4 UVR HT33 H 1 1.163 0.004 . 1 . . . . . 4 Z HT# . 21065 1
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