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 34162
_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 $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' . . . 34162 1
2 '2D 1H-1H TOCSY' . . . 34162 1
3 '2D DQF-COSY' . . . 34162 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 THM H1' H 1 6.47 0.00 . 1 . . . . A 1 THM H1' . 34162 1
2 . 1 1 1 1 THM H2'1 H 1 2.35 0.01 . . . . . . A 1 THM H2'1 . 34162 1
3 . 1 1 1 1 THM H2'2 H 1 2.53 0.00 . . . . . . A 1 THM H2'2 . 34162 1
4 . 1 1 1 1 THM H6 H 1 7.84 0.00 . 1 . . . . A 1 THM H6 . 34162 1
5 . 1 1 1 1 THM HM51 H 1 1.93 0.00 . 1 . . . . A 1 THM HM51 . 34162 1
6 . 1 1 1 1 THM HM52 H 1 1.93 0.00 . 1 . . . . A 1 THM HM52 . 34162 1
7 . 1 1 1 1 THM HM53 H 1 1.93 0.00 . 1 . . . . A 1 THM HM53 . 34162 1
8 . 1 1 1 1 THM HN3 H 1 11.40 0.00 . 1 . . . . A 1 THM HN3 . 34162 1
9 . 1 1 2 2 DNR H1' H 1 6.32 0.00 . 1 . . . . A 2 DNR H1' . 34162 1
10 . 1 1 2 2 DNR H2' H 1 1.06 0.00 . . . . . . A 2 DNR H2' . 34162 1
11 . 1 1 2 2 DNR H2'' H 1 2.26 0.00 . . . . . . A 2 DNR H2'' . 34162 1
12 . 1 1 2 2 DNR H5 H 1 6.11 0.01 . 1 . . . . A 2 DNR H5 . 34162 1
13 . 1 1 2 2 DNR H6 H 1 7.44 0.00 . 1 . . . . A 2 DNR H6 . 34162 1
14 . 1 1 2 2 DNR H41 H 1 7.28 0.00 . . . . . . A 2 DNR H41 . 34162 1
15 . 1 1 2 2 DNR H42 H 1 8.62 0.00 . . . . . . A 2 DNR H42 . 34162 1
16 . 1 1 3 3 DG H1 H 1 10.26 0.01 . 1 . . . . A 3 DG H1 . 34162 1
17 . 1 1 3 3 DG H1' H 1 5.94 0.01 . 1 . . . . A 3 DG H1' . 34162 1
18 . 1 1 3 3 DG H2' H 1 2.93 0.00 . . . . . . A 3 DG H2' . 34162 1
19 . 1 1 3 3 DG H2'' H 1 2.66 0.01 . . . . . . A 3 DG H2'' . 34162 1
20 . 1 1 3 3 DG H8 H 1 8.31 0.00 . 1 . . . . A 3 DG H8 . 34162 1
21 . 1 1 3 3 DG H21 H 1 5.84 0.00 . . . . . . A 3 DG H21 . 34162 1
22 . 1 1 3 3 DG H22 H 1 8.60 0.00 . . . . . . A 3 DG H22 . 34162 1
23 . 1 1 4 4 DT H1' H 1 6.13 0.00 . 1 . . . . A 4 DT H1' . 34162 1
24 . 1 1 4 4 DT H6 H 1 7.62 0.00 . 1 . . . . A 4 DT H6 . 34162 1
25 . 1 1 4 4 DT H71 H 1 1.75 0.01 . 1 . . . . A 4 DT H71 . 34162 1
26 . 1 1 4 4 DT H72 H 1 1.75 0.01 . 1 . . . . A 4 DT H72 . 34162 1
27 . 1 1 4 4 DT H73 H 1 1.75 0.01 . 1 . . . . A 4 DT H73 . 34162 1
28 . 1 1 6 6 DC H1' H 1 6.30 0.01 . 1 . . . . A 6 DC H1' . 34162 1
29 . 1 1 6 6 DC H2' H 1 2.44 0.00 . . . . . . A 6 DC H2' . 34162 1
30 . 1 1 6 6 DC H2'' H 1 2.44 0.00 . . . . . . A 6 DC H2'' . 34162 1
31 . 1 1 6 6 DC H5 H 1 6.13 0.00 . 1 . . . . A 6 DC H5 . 34162 1
32 . 1 1 6 6 DC H6 H 1 7.93 0.01 . 1 . . . . A 6 DC H6 . 34162 1
33 . 1 1 6 6 DC H41 H 1 7.46 0.01 . . . . . . A 6 DC H41 . 34162 1
34 . 1 1 6 6 DC H42 H 1 8.59 0.01 . . . . . . A 6 DC H42 . 34162 1
35 . 1 1 7 7 DNR H1' H 1 6.27 0.01 . 1 . . . . A 7 DNR H1' . 34162 1
36 . 1 1 7 7 DNR H2' H 1 0.78 0.01 . . . . . . A 7 DNR H2' . 34162 1
37 . 1 1 7 7 DNR H2'' H 1 2.09 0.00 . . . . . . A 7 DNR H2'' . 34162 1
38 . 1 1 7 7 DNR H5 H 1 5.95 0.01 . 1 . . . . A 7 DNR H5 . 34162 1
39 . 1 1 7 7 DNR H6 H 1 7.45 0.00 . 1 . . . . A 7 DNR H6 . 34162 1
40 . 1 1 7 7 DNR H41 H 1 8.19 0.00 . . . . . . A 7 DNR H41 . 34162 1
41 . 1 1 7 7 DNR H42 H 1 10.66 0.00 . . . . . . A 7 DNR H42 . 34162 1
42 . 1 1 8 8 DG H1 H 1 13.94 0.00 . 1 . . . . A 8 DG H1 . 34162 1
43 . 1 1 8 8 DG H1' H 1 6.03 0.01 . 1 . . . . A 8 DG H1' . 34162 1
44 . 1 1 8 8 DG H2' H 1 3.06 0.00 . . . . . . A 8 DG H2' . 34162 1
45 . 1 1 8 8 DG H2'' H 1 2.69 0.01 . . . . . . A 8 DG H2'' . 34162 1
46 . 1 1 8 8 DG H8 H 1 8.32 0.00 . 1 . . . . A 8 DG H8 . 34162 1
47 . 1 1 8 8 DG H21 H 1 7.63 0.01 . . . . . . A 8 DG H21 . 34162 1
48 . 1 1 8 8 DG H22 H 1 8.20 0.00 . . . . . . A 8 DG H22 . 34162 1
49 . 1 1 9 9 DT H1' H 1 5.93 0.00 . 1 . . . . A 9 DT H1' . 34162 1
50 . 1 1 9 9 DT H6 H 1 7.63 0.00 . 1 . . . . A 9 DT H6 . 34162 1
51 . 1 1 9 9 DT H71 H 1 1.69 0.00 . 1 . . . . A 9 DT H71 . 34162 1
52 . 1 1 9 9 DT H72 H 1 1.69 0.00 . 1 . . . . A 9 DT H72 . 34162 1
53 . 1 1 9 9 DT H73 H 1 1.69 0.00 . 1 . . . . A 9 DT H73 . 34162 1
54 . 1 1 10 10 DT H1' H 1 5.54 0.00 . 1 . . . . A 10 DT H1' . 34162 1
55 . 1 1 10 10 DT H6 H 1 7.76 0.00 . 1 . . . . A 10 DT H6 . 34162 1
56 . 1 1 11 11 DT H71 H 1 1.99 0.00 . 1 . . . . A 11 DT H71 . 34162 1
57 . 1 1 11 11 DT H72 H 1 1.99 0.00 . 1 . . . . A 11 DT H72 . 34162 1
58 . 1 1 11 11 DT H73 H 1 1.99 0.00 . 1 . . . . A 11 DT H73 . 34162 1
59 . 1 1 12 12 DT H6 H 1 7.84 0.00 . 1 . . . . A 12 DT H6 . 34162 1
60 . 1 1 12 12 DT H71 H 1 1.99 0.00 . 1 . . . . A 12 DT H71 . 34162 1
61 . 1 1 12 12 DT H72 H 1 1.99 0.00 . 1 . . . . A 12 DT H72 . 34162 1
62 . 1 1 12 12 DT H73 H 1 1.99 0.00 . 1 . . . . A 12 DT H73 . 34162 1
63 . 1 1 13 13 DT H1' H 1 6.12 0.01 . 1 . . . . A 13 DT H1' . 34162 1
64 . 1 1 13 13 DT H2' H 1 2.46 0.00 . . . . . . A 13 DT H2' . 34162 1
65 . 1 1 13 13 DT H2'' H 1 2.63 0.01 . . . . . . A 13 DT H2'' . 34162 1
66 . 1 1 13 13 DT H3 H 1 11.20 0.00 . 1 . . . . A 13 DT H3 . 34162 1
67 . 1 1 13 13 DT H6 H 1 7.74 0.00 . 1 . . . . A 13 DT H6 . 34162 1
68 . 1 1 13 13 DT H71 H 1 1.71 0.00 . 1 . . . . A 13 DT H71 . 34162 1
69 . 1 1 13 13 DT H72 H 1 1.71 0.00 . 1 . . . . A 13 DT H72 . 34162 1
70 . 1 1 13 13 DT H73 H 1 1.71 0.00 . 1 . . . . A 13 DT H73 . 34162 1
71 . 1 1 14 14 DC H1' H 1 6.41 0.00 . 1 . . . . A 14 DC H1' . 34162 1
72 . 1 1 14 14 DC H2' H 1 1.07 0.00 . . . . . . A 14 DC H2' . 34162 1
73 . 1 1 14 14 DC H2'' H 1 2.17 0.00 . . . . . . A 14 DC H2'' . 34162 1
74 . 1 1 14 14 DC H5 H 1 6.39 0.02 . 1 . . . . A 14 DC H5 . 34162 1
75 . 1 1 14 14 DC H6 H 1 7.49 0.00 . 1 . . . . A 14 DC H6 . 34162 1
76 . 1 1 14 14 DC H41 H 1 6.97 0.00 . . . . . . A 14 DC H41 . 34162 1
77 . 1 1 14 14 DC H42 H 1 8.66 0.01 . . . . . . A 14 DC H42 . 34162 1
78 . 1 1 15 15 DG H1' H 1 5.99 0.00 . 1 . . . . A 15 DG H1' . 34162 1
79 . 1 1 15 15 DG H2' H 1 2.99 0.00 . . . . . . A 15 DG H2' . 34162 1
80 . 1 1 15 15 DG H2'' H 1 2.70 0.00 . . . . . . A 15 DG H2'' . 34162 1
81 . 1 1 15 15 DG H8 H 1 8.39 0.00 . 1 . . . . A 15 DG H8 . 34162 1
82 . 1 1 15 15 DG H21 H 1 5.30 0.01 . . . . . . A 15 DG H21 . 34162 1
83 . 1 1 15 15 DG H22 H 1 9.07 0.01 . . . . . . A 15 DG H22 . 34162 1
84 . 1 1 16 16 DT H1' H 1 6.00 0.00 . 1 . . . . A 16 DT H1' . 34162 1
85 . 1 1 16 16 DT H6 H 1 7.64 0.00 . 1 . . . . A 16 DT H6 . 34162 1
86 . 1 1 16 16 DT H71 H 1 1.81 0.01 . 1 . . . . A 16 DT H71 . 34162 1
87 . 1 1 16 16 DT H72 H 1 1.81 0.01 . 1 . . . . A 16 DT H72 . 34162 1
88 . 1 1 16 16 DT H73 H 1 1.81 0.01 . 1 . . . . A 16 DT H73 . 34162 1
89 . 1 1 18 18 DC H1' H 1 6.30 0.00 . 1 . . . . A 18 DC H1' . 34162 1
90 . 1 1 18 18 DC H2' H 1 2.44 0.00 . . . . . . A 18 DC H2' . 34162 1
91 . 1 1 18 18 DC H2'' H 1 2.44 0.00 . . . . . . A 18 DC H2'' . 34162 1
92 . 1 1 18 18 DC H5 H 1 6.13 0.00 . 1 . . . . A 18 DC H5 . 34162 1
93 . 1 1 18 18 DC H6 H 1 7.93 0.01 . 1 . . . . A 18 DC H6 . 34162 1
94 . 1 1 18 18 DC H41 H 1 7.43 0.00 . . . . . . A 18 DC H41 . 34162 1
95 . 1 1 18 18 DC H42 H 1 8.55 0.00 . . . . . . A 18 DC H42 . 34162 1
96 . 1 1 19 19 DC H1' H 1 6.23 0.01 . 1 . . . . A 19 DC H1' . 34162 1
97 . 1 1 19 19 DC H2' H 1 0.76 0.00 . . . . . . A 19 DC H2' . 34162 1
98 . 1 1 19 19 DC H2'' H 1 2.02 0.00 . . . . . . A 19 DC H2'' . 34162 1
99 . 1 1 19 19 DC H3' H 1 4.70 0.00 . 1 . . . . A 19 DC H3' . 34162 1
100 . 1 1 19 19 DC H4' H 1 4.50 0.00 . 1 . . . . A 19 DC H4' . 34162 1
101 . 1 1 19 19 DC H5 H 1 5.95 0.01 . 1 . . . . A 19 DC H5 . 34162 1
102 . 1 1 19 19 DC H6 H 1 7.41 0.00 . 1 . . . . A 19 DC H6 . 34162 1
103 . 1 1 19 19 DC H41 H 1 8.05 0.00 . . . . . . A 19 DC H41 . 34162 1
104 . 1 1 19 19 DC H42 H 1 10.62 0.01 . . . . . . A 19 DC H42 . 34162 1
105 . 1 1 20 20 DG H1 H 1 13.65 0.00 . 1 . . . . A 20 DG H1 . 34162 1
106 . 1 1 20 20 DG H1' H 1 5.98 0.01 . 1 . . . . A 20 DG H1' . 34162 1
107 . 1 1 20 20 DG H2' H 1 3.04 0.00 . . . . . . A 20 DG H2' . 34162 1
108 . 1 1 20 20 DG H2'' H 1 2.66 0.00 . . . . . . A 20 DG H2'' . 34162 1
109 . 1 1 20 20 DG H8 H 1 8.27 0.00 . 1 . . . . A 20 DG H8 . 34162 1
110 . 1 1 20 20 DG H21 H 1 7.67 0.01 . . . . . . A 20 DG H21 . 34162 1
111 . 1 1 20 20 DG H22 H 1 7.96 0.00 . . . . . . A 20 DG H22 . 34162 1
112 . 1 1 21 21 DT H1' H 1 5.96 0.01 . 1 . . . . A 21 DT H1' . 34162 1
113 . 1 1 21 21 DT H6 H 1 7.63 0.00 . 1 . . . . A 21 DT H6 . 34162 1
114 . 1 1 21 21 DT H71 H 1 1.73 0.01 . 1 . . . . A 21 DT H71 . 34162 1
115 . 1 1 21 21 DT H72 H 1 1.73 0.01 . 1 . . . . A 21 DT H72 . 34162 1
116 . 1 1 21 21 DT H73 H 1 1.73 0.01 . 1 . . . . A 21 DT H73 . 34162 1
stop_
save_