Content for NMR-STAR saveframe, "assigned_chemical_shifts_1"
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 36378
_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 $chem_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 NOESY' 1 $sample_1 isotropic 36378 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 36378 1
3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 36378 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 MCY H1' H 1 6.05 0.02 . 1 . . . . A 1 MCY H1' . 36378 1
2 . 1 . 1 1 1 MCY H2' H 1 1.90 0.02 . 1 . . . . A 1 MCY H2' . 36378 1
3 . 1 . 1 1 1 MCY H2'' H 1 2.52 0.02 . 1 . . . . A 1 MCY H2'' . 36378 1
4 . 1 . 1 1 1 MCY H3' H 1 4.78 0.02 . 1 . . . . A 1 MCY H3' . 36378 1
5 . 1 . 1 1 1 MCY H4' H 1 4.38 0.02 . 1 . . . . A 1 MCY H4' . 36378 1
6 . 1 . 1 1 1 MCY H5A1 H 1 1.68 0.02 . 1 . . . . A 1 MCY H5A1 . 36378 1
7 . 1 . 1 1 1 MCY H5A2 H 1 1.68 0.02 . 1 . . . . A 1 MCY H5A2 . 36378 1
8 . 1 . 1 1 1 MCY H5A3 H 1 1.68 0.02 . 1 . . . . A 1 MCY H5A3 . 36378 1
9 . 1 . 1 1 1 MCY H5' H 1 3.91 0.02 . 1 . . . . A 1 MCY H5' . 36378 1
10 . 1 . 1 1 1 MCY H5'' H 1 3.91 0.02 . 1 . . . . A 1 MCY H5'' . 36378 1
11 . 1 . 1 1 1 MCY H6 H 1 7.41 0.02 . 1 . . . . A 1 MCY H6 . 36378 1
12 . 1 . 1 1 1 MCY HN41 H 1 8.68 0.02 . 1 . . . . A 1 MCY HN41 . 36378 1
13 . 1 . 1 1 1 MCY HN42 H 1 6.44 0.02 . 1 . . . . A 1 MCY HN42 . 36378 1
14 . 1 . 1 2 2 DT H1' H 1 6.54 0.02 . 1 . . . . A 2 DT H1' . 36378 1
15 . 1 . 1 2 2 DT H2' H 1 2.27 0.02 . 1 . . . . A 2 DT H2' . 36378 1
16 . 1 . 1 2 2 DT H2'' H 1 2.43 0.02 . 1 . . . . A 2 DT H2'' . 36378 1
17 . 1 . 1 2 2 DT H3 H 1 11.81 0.02 . 1 . . . . A 2 DT H3 . 36378 1
18 . 1 . 1 2 2 DT H3' H 1 4.84 0.02 . 1 . . . . A 2 DT H3' . 36378 1
19 . 1 . 1 2 2 DT H4' H 1 4.42 0.02 . 1 . . . . A 2 DT H4' . 36378 1
20 . 1 . 1 2 2 DT H5' H 1 4.24 0.02 . 1 . . . . A 2 DT H5' . 36378 1
21 . 1 . 1 2 2 DT H5'' H 1 4.15 0.02 . 1 . . . . A 2 DT H5'' . 36378 1
22 . 1 . 1 2 2 DT H6 H 1 7.96 0.02 . 1 . . . . A 2 DT H6 . 36378 1
23 . 1 . 1 2 2 DT H71 H 1 2.04 0.02 . 1 . . . . A 2 DT H71 . 36378 1
24 . 1 . 1 2 2 DT H72 H 1 2.04 0.02 . 1 . . . . A 2 DT H72 . 36378 1
25 . 1 . 1 2 2 DT H73 H 1 2.04 0.02 . 1 . . . . A 2 DT H73 . 36378 1
26 . 1 . 1 3 3 DT H1' H 1 5.59 0.02 . 1 . . . . A 3 DT H1' . 36378 1
27 . 1 . 1 3 3 DT H2' H 1 1.82 0.02 . 1 . . . . A 3 DT H2' . 36378 1
28 . 1 . 1 3 3 DT H2'' H 1 2.14 0.02 . 1 . . . . A 3 DT H2'' . 36378 1
29 . 1 . 1 3 3 DT H3 H 1 10.95 0.02 . 1 . . . . A 3 DT H3 . 36378 1
30 . 1 . 1 3 3 DT H3' H 1 4.70 0.02 . 1 . . . . A 3 DT H3' . 36378 1
31 . 1 . 1 3 3 DT H4' H 1 3.81 0.02 . 1 . . . . A 3 DT H4' . 36378 1
32 . 1 . 1 3 3 DT H5' H 1 3.95 0.02 . 1 . . . . A 3 DT H5' . 36378 1
33 . 1 . 1 3 3 DT H5'' H 1 4.10 0.02 . 1 . . . . A 3 DT H5'' . 36378 1
34 . 1 . 1 3 3 DT H6 H 1 7.75 0.02 . 1 . . . . A 3 DT H6 . 36378 1
35 . 1 . 1 3 3 DT H71 H 1 1.31 0.02 . 1 . . . . A 3 DT H71 . 36378 1
36 . 1 . 1 3 3 DT H72 H 1 1.31 0.02 . 1 . . . . A 3 DT H72 . 36378 1
37 . 1 . 1 3 3 DT H73 H 1 1.31 0.02 . 1 . . . . A 3 DT H73 . 36378 1
38 . 1 . 1 4 4 DG H1 H 1 13.28 0.02 . 1 . . . . A 4 DG H1 . 36378 1
39 . 1 . 1 4 4 DG H1' H 1 6.06 0.02 . 1 . . . . A 4 DG H1' . 36378 1
40 . 1 . 1 4 4 DG H2' H 1 2.79 0.02 . 1 . . . . A 4 DG H2' . 36378 1
41 . 1 . 1 4 4 DG H2'' H 1 2.95 0.02 . 1 . . . . A 4 DG H2'' . 36378 1
42 . 1 . 1 4 4 DG H3' H 1 5.01 0.02 . 1 . . . . A 4 DG H3' . 36378 1
43 . 1 . 1 4 4 DG H4' H 1 4.28 0.02 . 1 . . . . A 4 DG H4' . 36378 1
44 . 1 . 1 4 4 DG H5' H 1 4.06 0.02 . 1 . . . . A 4 DG H5' . 36378 1
45 . 1 . 1 4 4 DG H5'' H 1 3.59 0.02 . 1 . . . . A 4 DG H5'' . 36378 1
46 . 1 . 1 4 4 DG H8 H 1 7.86 0.02 . 1 . . . . A 4 DG H8 . 36378 1
47 . 1 . 1 4 4 DG H21 H 1 9.22 0.02 . 1 . . . . A 4 DG H21 . 36378 1
48 . 1 . 1 4 4 DG H22 H 1 5.71 0.02 . 1 . . . . A 4 DG H22 . 36378 1
49 . 1 . 1 5 5 3DR H1'1 H 1 4.08 0.02 . 1 . . . . A 5 3DR H1'1 . 36378 1
50 . 1 . 1 5 5 3DR H1'2 H 1 4.14 0.02 . 1 . . . . A 5 3DR H1'2 . 36378 1
51 . 1 . 1 5 5 3DR H2' H 1 2.33 0.02 . 1 . . . . A 5 3DR H2' . 36378 1
52 . 1 . 1 5 5 3DR H2'' H 1 2.23 0.02 . 1 . . . . A 5 3DR H2'' . 36378 1
53 . 1 . 1 5 5 3DR H3' H 1 4.62 0.02 . 1 . . . . A 5 3DR H3' . 36378 1
54 . 1 . 1 5 5 3DR H4'1 H 1 4.15 0.02 . 1 . . . . A 5 3DR H4'1 . 36378 1
55 . 1 . 1 5 5 3DR H5' H 1 4.12 0.02 . 1 . . . . A 5 3DR H5' . 36378 1
56 . 1 . 1 5 5 3DR H5'' H 1 3.93 0.02 . 1 . . . . A 5 3DR H5'' . 36378 1
57 . 1 . 1 6 6 5CM H1' H 1 6.12 0.02 . 1 . . . . A 6 5CM H1' . 36378 1
58 . 1 . 1 6 6 5CM H2' H 1 1.91 0.02 . 1 . . . . A 6 5CM H2' . 36378 1
59 . 1 . 1 6 6 5CM H2'' H 1 2.43 0.02 . 1 . . . . A 6 5CM H2'' . 36378 1
60 . 1 . 1 6 6 5CM H3' H 1 4.92 0.02 . 1 . . . . A 6 5CM H3' . 36378 1
61 . 1 . 1 6 6 5CM H4' H 1 4.55 0.02 . 1 . . . . A 6 5CM H4' . 36378 1
62 . 1 . 1 6 6 5CM H5A1 H 1 1.73 0.02 . 1 . . . . A 6 5CM H5A1 . 36378 1
63 . 1 . 1 6 6 5CM H5A2 H 1 1.73 0.02 . 1 . . . . A 6 5CM H5A2 . 36378 1
64 . 1 . 1 6 6 5CM H5A3 H 1 1.73 0.02 . 1 . . . . A 6 5CM H5A3 . 36378 1
65 . 1 . 1 6 6 5CM H5' H 1 4.15 0.02 . 1 . . . . A 6 5CM H5' . 36378 1
66 . 1 . 1 6 6 5CM H5'' H 1 4.18 0.02 . 1 . . . . A 6 5CM H5'' . 36378 1
67 . 1 . 1 6 6 5CM H6 H 1 7.27 0.02 . 1 . . . . A 6 5CM H6 . 36378 1
68 . 1 . 1 6 6 5CM HN41 H 1 8.59 0.02 . 1 . . . . A 6 5CM HN41 . 36378 1
69 . 1 . 1 6 6 5CM HN42 H 1 6.47 0.02 . 1 . . . . A 6 5CM HN42 . 36378 1
70 . 1 . 1 7 7 DT H1' H 1 6.55 0.02 . 1 . . . . A 7 DT H1' . 36378 1
71 . 1 . 1 7 7 DT H2' H 1 2.19 0.02 . 1 . . . . A 7 DT H2' . 36378 1
72 . 1 . 1 7 7 DT H2'' H 1 2.39 0.02 . 1 . . . . A 7 DT H2'' . 36378 1
73 . 1 . 1 7 7 DT H3 H 1 11.74 0.02 . 1 . . . . A 7 DT H3 . 36378 1
74 . 1 . 1 7 7 DT H3' H 1 4.87 0.02 . 1 . . . . A 7 DT H3' . 36378 1
75 . 1 . 1 7 7 DT H4' H 1 4.43 0.02 . 1 . . . . A 7 DT H4' . 36378 1
76 . 1 . 1 7 7 DT H5' H 1 4.27 0.02 . 1 . . . . A 7 DT H5' . 36378 1
77 . 1 . 1 7 7 DT H5'' H 1 4.16 0.02 . 1 . . . . A 7 DT H5'' . 36378 1
78 . 1 . 1 7 7 DT H6 H 1 8.02 0.02 . 1 . . . . A 7 DT H6 . 36378 1
79 . 1 . 1 7 7 DT H71 H 1 2.08 0.02 . 1 . . . . A 7 DT H71 . 36378 1
80 . 1 . 1 7 7 DT H72 H 1 2.08 0.02 . 1 . . . . A 7 DT H72 . 36378 1
81 . 1 . 1 7 7 DT H73 H 1 2.08 0.02 . 1 . . . . A 7 DT H73 . 36378 1
82 . 1 . 1 8 8 DT H1' H 1 5.55 0.02 . 1 . . . . A 8 DT H1' . 36378 1
83 . 1 . 1 8 8 DT H2' H 1 1.82 0.02 . 1 . . . . A 8 DT H2' . 36378 1
84 . 1 . 1 8 8 DT H2'' H 1 2.12 0.02 . 1 . . . . A 8 DT H2'' . 36378 1
85 . 1 . 1 8 8 DT H3 H 1 10.90 0.02 . 1 . . . . A 8 DT H3 . 36378 1
86 . 1 . 1 8 8 DT H3' H 1 4.70 0.02 . 1 . . . . A 8 DT H3' . 36378 1
87 . 1 . 1 8 8 DT H4' H 1 3.92 0.02 . 1 . . . . A 8 DT H4' . 36378 1
88 . 1 . 1 8 8 DT H6 H 1 7.72 0.02 . 1 . . . . A 8 DT H6 . 36378 1
89 . 1 . 1 8 8 DT H71 H 1 1.27 0.02 . 1 . . . . A 8 DT H71 . 36378 1
90 . 1 . 1 8 8 DT H72 H 1 1.27 0.02 . 1 . . . . A 8 DT H72 . 36378 1
91 . 1 . 1 8 8 DT H73 H 1 1.27 0.02 . 1 . . . . A 8 DT H73 . 36378 1
92 . 1 . 1 9 9 DG H1 H 1 13.24 0.02 . 1 . . . . A 9 DG H1 . 36378 1
93 . 1 . 1 9 9 DG H1' H 1 5.99 0.02 . 1 . . . . A 9 DG H1' . 36378 1
94 . 1 . 1 9 9 DG H2' H 1 2.88 0.02 . 1 . . . . A 9 DG H2' . 36378 1
95 . 1 . 1 9 9 DG H2'' H 1 2.68 0.02 . 1 . . . . A 9 DG H2'' . 36378 1
96 . 1 . 1 9 9 DG H3' H 1 4.64 0.02 . 1 . . . . A 9 DG H3' . 36378 1
97 . 1 . 1 9 9 DG H4' H 1 4.12 0.02 . 1 . . . . A 9 DG H4' . 36378 1
98 . 1 . 1 9 9 DG H5' H 1 4.00 0.02 . 1 . . . . A 9 DG H5' . 36378 1
99 . 1 . 1 9 9 DG H5'' H 1 3.54 0.02 . 1 . . . . A 9 DG H5'' . 36378 1
100 . 1 . 1 9 9 DG H8 H 1 7.83 0.02 . 1 . . . . A 9 DG H8 . 36378 1
101 . 1 . 1 9 9 DG H21 H 1 9.24 0.02 . 1 . . . . A 9 DG H21 . 36378 1
102 . 1 . 1 9 9 DG H22 H 1 5.65 0.02 . 1 . . . . A 9 DG H22 . 36378 1
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