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 19620
_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 .
_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
;
The enthane group of EDI has the following assignment:
EHN H1 H 1 3.36 0.01 2
EHN H2 H 1 3.72 0.01 2
EHN H4 H 1 2.85 0.01 2
EHN H5 H 1 3.72 0.01 2
;
_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' . . . 19620 1
2 '2D 1H-1H TOCSY' . . . 19620 1
3 '2D DQF-COSY' . . . 19620 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 DC H1' H 1 5.53 0.01 . 1 . . . . A 1 DC H1' . 19620 1
2 . 1 1 1 1 DC H2' H 1 1.70 0.01 . 1 . . . . A 1 DC H2' . 19620 1
3 . 1 1 1 1 DC H2'' H 1 2.22 0.01 . 1 . . . . A 1 DC H2'' . 19620 1
4 . 1 1 1 1 DC H3' H 1 4.59 0.01 . 1 . . . . A 1 DC H3' . 19620 1
5 . 1 1 1 1 DC H4' H 1 3.95 0.01 . 1 . . . . A 1 DC H4' . 19620 1
6 . 1 1 1 1 DC H5 H 1 5.85 0.01 . 1 . . . . A 1 DC H5 . 19620 1
7 . 1 1 1 1 DC H6 H 1 7.56 0.01 . 1 . . . . A 1 DC H6 . 19620 1
8 . 1 1 2 2 DA H1' H 1 5.93 0.01 . 1 . . . . A 2 DA H1' . 19620 1
9 . 1 1 2 2 DA H2 H 1 7.70 0.01 . 1 . . . . A 2 DA H2 . 19620 1
10 . 1 1 2 2 DA H2' H 1 2.70 0.01 . 1 . . . . A 2 DA H2' . 19620 1
11 . 1 1 2 2 DA H2'' H 1 2.78 0.01 . 1 . . . . A 2 DA H2'' . 19620 1
12 . 1 1 2 2 DA H3' H 1 4.94 0.01 . 1 . . . . A 2 DA H3' . 19620 1
13 . 1 1 2 2 DA H4' H 1 4.29 0.01 . 1 . . . . A 2 DA H4' . 19620 1
14 . 1 1 2 2 DA H8 H 1 8.18 0.01 . 1 . . . . A 2 DA H8 . 19620 1
15 . 1 1 3 3 DG H1' H 1 5.79 0.01 . 1 . . . . A 3 DG H1' . 19620 1
16 . 1 1 3 3 DG H2' H 1 2.34 0.01 . 1 . . . . A 3 DG H2' . 19620 1
17 . 1 1 3 3 DG H2'' H 1 2.58 0.01 . 1 . . . . A 3 DG H2'' . 19620 1
18 . 1 1 3 3 DG H3' H 1 4.79 0.01 . 1 . . . . A 3 DG H3' . 19620 1
19 . 1 1 3 3 DG H4' H 1 4.28 0.01 . 1 . . . . A 3 DG H4' . 19620 1
20 . 1 1 3 3 DG H8 H 1 7.59 0.01 . 1 . . . . A 3 DG H8 . 19620 1
21 . 1 1 4 4 DT H1' H 1 5.97 0.01 . 1 . . . . A 4 DT H1' . 19620 1
22 . 1 1 4 4 DT H2' H 1 1.95 0.01 . 1 . . . . A 4 DT H2' . 19620 1
23 . 1 1 4 4 DT H2'' H 1 2.42 0.01 . 1 . . . . A 4 DT H2'' . 19620 1
24 . 1 1 4 4 DT H3' H 1 4.69 0.01 . 1 . . . . A 4 DT H3' . 19620 1
25 . 1 1 4 4 DT H4' H 1 4.14 0.01 . 1 . . . . A 4 DT H4' . 19620 1
26 . 1 1 4 4 DT H6 H 1 7.22 0.01 . 1 . . . . A 4 DT H6 . 19620 1
27 . 1 1 4 4 DT H71 H 1 1.38 0.01 . 1 . . . . A 4 DT H71 . 19620 1
28 . 1 1 4 4 DT H72 H 1 1.38 0.01 . 1 . . . . A 4 DT H72 . 19620 1
29 . 1 1 4 4 DT H73 H 1 1.38 0.01 . 1 . . . . A 4 DT H73 . 19620 1
30 . 1 1 5 5 DT H1' H 1 6.02 0.01 . 1 . . . . A 5 DT H1' . 19620 1
31 . 1 1 5 5 DT H2' H 1 2.14 0.01 . 1 . . . . A 5 DT H2' . 19620 1
32 . 1 1 5 5 DT H2'' H 1 2.45 0.01 . 1 . . . . A 5 DT H2'' . 19620 1
33 . 1 1 5 5 DT H3' H 1 4.81 0.01 . 1 . . . . A 5 DT H3' . 19620 1
34 . 1 1 5 5 DT H4' H 1 4.15 0.01 . 1 . . . . A 5 DT H4' . 19620 1
35 . 1 1 5 5 DT H6 H 1 7.45 0.01 . 1 . . . . A 5 DT H6 . 19620 1
36 . 1 1 5 5 DT H71 H 1 1.52 0.01 . 1 . . . . A 5 DT H71 . 19620 1
37 . 1 1 5 5 DT H72 H 1 1.52 0.01 . 1 . . . . A 5 DT H72 . 19620 1
38 . 1 1 5 5 DT H73 H 1 1.52 0.01 . 1 . . . . A 5 DT H73 . 19620 1
39 . 1 1 6 6 DC H1' H 1 5.84 0.01 . 1 . . . . A 6 DC H1' . 19620 1
40 . 1 1 6 6 DC H2' H 1 2.01 0.01 . 1 . . . . A 6 DC H2' . 19620 1
41 . 1 1 6 6 DC H2'' H 1 2.29 0.01 . 1 . . . . A 6 DC H2'' . 19620 1
42 . 1 1 6 6 DC H3' H 1 4.72 0.01 . 1 . . . . A 6 DC H3' . 19620 1
43 . 1 1 6 6 DC H4' H 1 4.06 0.01 . 1 . . . . A 6 DC H4' . 19620 1
44 . 1 1 6 6 DC H5 H 1 5.63 0.01 . 1 . . . . A 6 DC H5 . 19620 1
45 . 1 1 6 6 DC H6 H 1 7.49 0.01 . 1 . . . . A 6 DC H6 . 19620 1
46 . 1 1 7 7 DC H1' H 1 5.71 0.01 . 1 . . . . A 7 DC H1' . 19620 1
47 . 1 1 7 7 DC H2' H 1 1.95 0.01 . 1 . . . . A 7 DC H2' . 19620 1
48 . 1 1 7 7 DC H2'' H 1 2.21 0.01 . 1 . . . . A 7 DC H2'' . 19620 1
49 . 1 1 7 7 DC H3' H 1 4.71 0.01 . 1 . . . . A 7 DC H3' . 19620 1
50 . 1 1 7 7 DC H4' H 1 3.98 0.01 . 1 . . . . A 7 DC H4' . 19620 1
51 . 1 1 7 7 DC H5 H 1 5.66 0.01 . 1 . . . . A 7 DC H5 . 19620 1
52 . 1 1 7 7 DC H6 H 1 7.41 0.01 . 1 . . . . A 7 DC H6 . 19620 1
53 . 1 1 8 8 DA H1' H 1 6.25 0.01 . 1 . . . . A 8 DA H1' . 19620 1
54 . 1 1 8 8 DA H2 H 1 7.76 0.01 . 1 . . . . A 8 DA H2 . 19620 1
55 . 1 1 8 8 DA H2' H 1 2.61 0.01 . 1 . . . . A 8 DA H2' . 19620 1
56 . 1 1 8 8 DA H2'' H 1 2.39 0.01 . 1 . . . . A 8 DA H2'' . 19620 1
57 . 1 1 8 8 DA H3' H 1 4.61 0.01 . 1 . . . . A 8 DA H3' . 19620 1
58 . 1 1 8 8 DA H4' H 1 4.10 0.01 . 1 . . . . A 8 DA H4' . 19620 1
59 . 1 1 8 8 DA H8 H 1 8.19 0.01 . 1 . . . . A 8 DA H8 . 19620 1
60 . 2 2 1 1 DT H1' H 1 5.74 0.01 . 1 . . . . . 9 DT H1' . 19620 1
61 . 2 2 1 1 DT H2' H 1 1.61 0.01 . 1 . . . . . 9 DT H2' . 19620 1
62 . 2 2 1 1 DT H2'' H 1 2.07 0.01 . 1 . . . . . 9 DT H2'' . 19620 1
63 . 2 2 1 1 DT H3' H 1 4.49 0.01 . 1 . . . . . 9 DT H3' . 19620 1
64 . 2 2 1 1 DT H4' H 1 3.90 0.01 . 1 . . . . . 9 DT H4' . 19620 1
65 . 2 2 1 1 DT H6 H 1 7.24 0.01 . 1 . . . . . 9 DT H6 . 19620 1
66 . 2 2 1 1 DT H71 H 1 1.50 0.01 . 1 . . . . . 9 DT H71 . 19620 1
67 . 2 2 1 1 DT H72 H 1 1.50 0.01 . 1 . . . . . 9 DT H72 . 19620 1
68 . 2 2 1 1 DT H73 H 1 1.50 0.01 . 1 . . . . . 9 DT H73 . 19620 1
69 . 2 2 2 2 DG H1' H 1 5.37 0.01 . 1 . . . . . 10 DG H1' . 19620 1
70 . 2 2 2 2 DG H2' H 1 2.62 0.01 . 1 . . . . . 10 DG H2' . 19620 1
71 . 2 2 2 2 DG H2'' H 1 2.64 0.01 . 1 . . . . . 10 DG H2'' . 19620 1
72 . 2 2 2 2 DG H3' H 1 4.85 0.01 . 1 . . . . . 10 DG H3' . 19620 1
73 . 2 2 2 2 DG H4' H 1 4.20 0.01 . 1 . . . . . 10 DG H4' . 19620 1
74 . 2 2 2 2 DG H8 H 1 7.83 0.01 . 1 . . . . . 10 DG H8 . 19620 1
75 . 2 2 3 3 DG H1' H 1 5.39 0.01 . 1 . . . . . 11 DG H1' . 19620 1
76 . 2 2 3 3 DG H2' H 1 2.49 0.01 . 1 . . . . . 11 DG H2' . 19620 1
77 . 2 2 3 3 DG H2'' H 1 2.56 0.01 . 1 . . . . . 11 DG H2'' . 19620 1
78 . 2 2 3 3 DG H3' H 1 4.90 0.01 . 1 . . . . . 11 DG H3' . 19620 1
79 . 2 2 3 3 DG H4' H 1 4.24 0.01 . 1 . . . . . 11 DG H4' . 19620 1
80 . 2 2 3 3 DG H8 H 1 7.70 0.01 . 1 . . . . . 11 DG H8 . 19620 1
81 . 2 2 4 4 DA H1' H 1 5.67 0.01 . 1 . . . . . 12 DA H1' . 19620 1
82 . 2 2 4 4 DA H2 H 1 7.58 0.01 . 1 . . . . . 12 DA H2 . 19620 1
83 . 2 2 4 4 DA H2' H 1 2.51 0.01 . 1 . . . . . 12 DA H2' . 19620 1
84 . 2 2 4 4 DA H2'' H 1 2.65 0.01 . 1 . . . . . 12 DA H2'' . 19620 1
85 . 2 2 4 4 DA H3' H 1 4.96 0.01 . 1 . . . . . 12 DA H3' . 19620 1
86 . 2 2 4 4 DA H4' H 1 4.29 0.01 . 1 . . . . . 12 DA H4' . 19620 1
87 . 2 2 4 4 DA H8 H 1 8.08 0.01 . 1 . . . . . 12 DA H8 . 19620 1
88 . 2 2 5 5 EDI H1' H 1 6.12 0.01 . 1 . . . . . 13 DI H1' . 19620 1
89 . 2 2 5 5 EDI H2 H 1 7.74 0.01 . 1 . . . . . 13 DI H2 . 19620 1
90 . 2 2 5 5 EDI H2' H 1 2.68 0.01 . 1 . . . . . 13 DI H2' . 19620 1
91 . 2 2 5 5 EDI H2'' H 1 2.81 0.01 . 1 . . . . . 13 DI H2'' . 19620 1
92 . 2 2 5 5 EDI H3' H 1 4.95 0.01 . 1 . . . . . 13 DI H3' . 19620 1
93 . 2 2 5 5 EDI H4' H 1 4.40 0.01 . 1 . . . . . 13 DI H4' . 19620 1
94 . 2 2 5 5 EDI H8 H 1 8.26 0.01 . 1 . . . . . 13 DI H8 . 19620 1
95 . 2 2 6 6 DC H1' H 1 5.68 0.01 . 1 . . . . . 14 DC H1' . 19620 1
96 . 2 2 6 6 DC H2' H 1 1.78 0.01 . 1 . . . . . 14 DC H2' . 19620 1
97 . 2 2 6 6 DC H2'' H 1 2.35 0.01 . 1 . . . . . 14 DC H2'' . 19620 1
98 . 2 2 6 6 DC H3' H 1 4.59 0.01 . 1 . . . . . 14 DC H3' . 19620 1
99 . 2 2 6 6 DC H4' H 1 4.08 0.01 . 1 . . . . . 14 DC H4' . 19620 1
100 . 2 2 6 6 DC H5 H 1 5.02 0.01 . 1 . . . . . 14 DC H5 . 19620 1
101 . 2 2 6 6 DC H6 H 1 7.07 0.01 . 1 . . . . . 14 DC H6 . 19620 1
102 . 2 2 7 7 DT H1' H 1 5.78 0.01 . 1 . . . . . 15 DT H1' . 19620 1
103 . 2 2 7 7 DT H2' H 1 1.94 0.01 . 1 . . . . . 15 DT H2' . 19620 1
104 . 2 2 7 7 DT H2'' H 1 2.30 0.01 . 1 . . . . . 15 DT H2'' . 19620 1
105 . 2 2 7 7 DT H3' H 1 4.78 0.01 . 1 . . . . . 15 DT H3' . 19620 1
106 . 2 2 7 7 DT H4' H 1 4.05 0.01 . 1 . . . . . 15 DT H4' . 19620 1
107 . 2 2 7 7 DT H6 H 1 7.28 0.01 . 1 . . . . . 15 DT H6 . 19620 1
108 . 2 2 7 7 DT H71 H 1 1.51 0.01 . 1 . . . . . 15 DT H71 . 19620 1
109 . 2 2 7 7 DT H72 H 1 1.51 0.01 . 1 . . . . . 15 DT H72 . 19620 1
110 . 2 2 7 7 DT H73 H 1 1.51 0.01 . 1 . . . . . 15 DT H73 . 19620 1
111 . 2 2 8 8 DG H1' H 1 6.08 0.01 . 1 . . . . . 16 DG H1' . 19620 1
112 . 2 2 8 8 DG H2' H 1 2.54 0.01 . 1 . . . . . 16 DG H2' . 19620 1
113 . 2 2 8 8 DG H2'' H 1 2.28 0.01 . 1 . . . . . 16 DG H2'' . 19620 1
114 . 2 2 8 8 DG H3' H 1 4.60 0.01 . 1 . . . . . 16 DG H3' . 19620 1
115 . 2 2 8 8 DG H4' H 1 4.09 0.01 . 1 . . . . . 16 DG H4' . 19620 1
116 . 2 2 8 8 DG H8 H 1 7.84 0.01 . 1 . . . . . 16 DG H8 . 19620 1
stop_
save_