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 30329
_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 0.01
_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' . . . 30329 1
2 '2D 1H-1H NOESY' . . . 30329 1
3 '2D 1H-1H TOCSY' . . . 30329 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 DCZ H1' H 1 5.96077 0.01 . . . . . . A 1 DCZ H1' . 30329 1
2 . 1 . 1 1 1 DCZ H2'1 H 1 2.20906 0.01 . . . . . . A 1 DCZ H2'1 . 30329 1
3 . 1 . 1 1 1 DCZ H2'2 H 1 2.61505 0.01 . . . . . . A 1 DCZ H2'2 . 30329 1
4 . 1 . 1 1 1 DCZ H3' H 1 4.90751 0.01 . . . . . . A 1 DCZ H3' . 30329 1
5 . 1 . 1 1 1 DCZ H5 H 1 6.12016 0.01 . . . . . . A 1 DCZ H5 . 30329 1
6 . 1 . 1 1 1 DCZ H6 H 1 7.85409 0.01 . . . . . . A 1 DCZ H6 . 30329 1
7 . 1 . 1 2 2 DG H1' H 1 6.19922 0.01 . . . . . . A 2 DG H1' . 30329 1
8 . 1 . 1 2 2 DG H2' H 1 2.8416 0.01 . . . . . . A 2 DG H2' . 30329 1
9 . 1 . 1 2 2 DG H2'' H 1 3.01822 0.01 . . . . . . A 2 DG H2'' . 30329 1
10 . 1 . 1 2 2 DG H3' H 1 5.1817 0.01 . . . . . . A 2 DG H3' . 30329 1
11 . 1 . 1 2 2 DG H4' H 1 4.55917 0.01 . . . . . . A 2 DG H4' . 30329 1
12 . 1 . 1 2 2 DG H8 H 1 8.17844 0.01 . . . . . . A 2 DG H8 . 30329 1
13 . 1 . 1 3 3 5CM H1' H 1 6.10758 0.01 . . . . . . A 3 5CM H1' . 30329 1
14 . 1 . 1 3 3 5CM H2' H 1 2.00076 0.01 . . . . . . A 3 5CM H2' . 30329 1
15 . 1 . 1 3 3 5CM H2'' H 1 2.67769 0.01 . . . . . . A 3 5CM H2'' . 30329 1
16 . 1 . 1 3 3 5CM H3' H 1 5.01157 0.01 . . . . . . A 3 5CM H3' . 30329 1
17 . 1 . 1 3 3 5CM H5A1 H 1 1.73599 0.01 . . . . . . A 3 5CM H5A1 . 30329 1
18 . 1 . 1 3 3 5CM H5A2 H 1 1.73599 0.01 . . . . . . A 3 5CM H5A2 . 30329 1
19 . 1 . 1 3 3 5CM H5A3 H 1 1.73599 0.01 . . . . . . A 3 5CM H5A3 . 30329 1
20 . 1 . 1 3 3 5CM H6 H 1 7.34675 0.01 . . . . . . A 3 5CM H6 . 30329 1
21 . 1 . 1 4 4 8OG H1' H 1 5.33307 0.01 . . . . . . A 4 8OG H1' . 30329 1
22 . 1 . 1 4 4 8OG H2' H 1 3.5882 0.01 . . . . . . A 4 8OG H2' . 30329 1
23 . 1 . 1 4 4 8OG H2'' H 1 2.60328 0.01 . . . . . . A 4 8OG H2'' . 30329 1
24 . 1 . 1 5 5 DA H1' H 1 6.22799 0.01 . . . . . . A 5 DA H1' . 30329 1
25 . 1 . 1 5 5 DA H2 H 1 7.41975 0.01 . . . . . . A 5 DA H2 . 30329 1
26 . 1 . 1 5 5 DA H2' H 1 2.91206 0.01 . . . . . . A 5 DA H2' . 30329 1
27 . 1 . 1 5 5 DA H2'' H 1 3.15016 0.01 . . . . . . A 5 DA H2'' . 30329 1
28 . 1 . 1 5 5 DA H3' H 1 5.26954 0.01 . . . . . . A 5 DA H3' . 30329 1
29 . 1 . 1 5 5 DA H4' H 1 4.64889 0.01 . . . . . . A 5 DA H4' . 30329 1
30 . 1 . 1 5 5 DA H8 H 1 8.39964 0.01 . . . . . . A 5 DA H8 . 30329 1
31 . 1 . 1 6 6 DA H1' H 1 6.3543 0.01 . . . . . . A 6 DA H1' . 30329 1
32 . 1 . 1 6 6 DA H2 H 1 7.82708 0.01 . . . . . . A 6 DA H2 . 30329 1
33 . 1 . 1 6 6 DA H2' H 1 2.77074 0.01 . . . . . . A 6 DA H2' . 30329 1
34 . 1 . 1 6 6 DA H2'' H 1 3.13377 0.01 . . . . . . A 6 DA H2'' . 30329 1
35 . 1 . 1 6 6 DA H3' H 1 5.20989 0.01 . . . . . . A 6 DA H3' . 30329 1
36 . 1 . 1 6 6 DA H4' H 1 4.66023 0.01 . . . . . . A 6 DA H4' . 30329 1
37 . 1 . 1 6 6 DA H8 H 1 8.33132 0.01 . . . . . . A 6 DA H8 . 30329 1
38 . 1 . 1 7 7 DT H1' H 1 6.10623 0.01 . . . . . . A 7 DT H1' . 30329 1
39 . 1 . 1 7 7 DT H2' H 1 2.18522 0.01 . . . . . . A 7 DT H2' . 30329 1
40 . 1 . 1 7 7 DT H2'' H 1 2.7756 0.01 . . . . . . A 7 DT H2'' . 30329 1
41 . 1 . 1 7 7 DT H3' H 1 5.01712 0.01 . . . . . . A 7 DT H3' . 30329 1
42 . 1 . 1 7 7 DT H6 H 1 7.32094 0.01 . . . . . . A 7 DT H6 . 30329 1
43 . 1 . 1 7 7 DT H71 H 1 1.47206 0.01 . . . . . . A 7 DT H71 . 30329 1
44 . 1 . 1 7 7 DT H72 H 1 1.47206 0.01 . . . . . . A 7 DT H72 . 30329 1
45 . 1 . 1 7 7 DT H73 H 1 1.47206 0.01 . . . . . . A 7 DT H73 . 30329 1
46 . 1 . 1 8 8 DT H1' H 1 6.31386 0.01 . . . . . . A 8 DT H1' . 30329 1
47 . 1 . 1 8 8 DT H2' H 1 2.38298 0.01 . . . . . . A 8 DT H2' . 30329 1
48 . 1 . 1 8 8 DT H2'' H 1 2.77096 0.01 . . . . . . A 8 DT H2'' . 30329 1
49 . 1 . 1 8 8 DT H3' H 1 5.10441 0.01 . . . . . . A 8 DT H3' . 30329 1
50 . 1 . 1 8 8 DT H6 H 1 7.57917 0.01 . . . . . . A 8 DT H6 . 30329 1
51 . 1 . 1 8 8 DT H71 H 1 1.71617 0.01 . . . . . . A 8 DT H71 . 30329 1
52 . 1 . 1 8 8 DT H72 H 1 1.71617 0.01 . . . . . . A 8 DT H72 . 30329 1
53 . 1 . 1 8 8 DT H73 H 1 1.71617 0.01 . . . . . . A 8 DT H73 . 30329 1
54 . 1 . 1 9 9 DC H1' H 1 5.88576 0.01 . . . . . . A 9 DC H1' . 30329 1
55 . 1 . 1 9 9 DC H2' H 1 2.22869 0.01 . . . . . . A 9 DC H2' . 30329 1
56 . 1 . 1 9 9 DC H2'' H 1 2.59814 0.01 . . . . . . A 9 DC H2'' . 30329 1
57 . 1 . 1 9 9 DC H3' H 1 5.07418 0.01 . . . . . . A 9 DC H3' . 30329 1
58 . 1 . 1 9 9 DC H5 H 1 5.84824 0.01 . . . . . . A 9 DC H5 . 30329 1
59 . 1 . 1 9 9 DC H6 H 1 7.66782 0.01 . . . . . . A 9 DC H6 . 30329 1
60 . 1 . 1 10 10 DG H1' H 1 6.0589 0.01 . . . . . . A 10 DG H1' . 30329 1
61 . 1 . 1 10 10 DG H3' H 1 5.18765 0.01 . . . . . . A 10 DG H3' . 30329 1
62 . 1 . 1 10 10 DG H4' H 1 4.57502 0.01 . . . . . . A 10 DG H4' . 30329 1
63 . 1 . 1 10 10 DG H8 H 1 8.11572 0.01 . . . . . . A 10 DG H8 . 30329 1
64 . 1 . 1 11 11 DC H1' H 1 5.97603 0.01 . . . . . . A 11 DC H1' . 30329 1
65 . 1 . 1 11 11 DC H2' H 1 2.08113 0.01 . . . . . . A 11 DC H2' . 30329 1
66 . 1 . 1 11 11 DC H2'' H 1 2.53554 0.01 . . . . . . A 11 DC H2'' . 30329 1
67 . 1 . 1 11 11 DC H3' H 1 5.00586 0.01 . . . . . . A 11 DC H3' . 30329 1
68 . 1 . 1 11 11 DC H5 H 1 5.60469 0.01 . . . . . . A 11 DC H5 . 30329 1
69 . 1 . 1 11 11 DC H6 H 1 7.50952 0.01 . . . . . . A 11 DC H6 . 30329 1
70 . 1 . 1 12 12 DG H1' H 1 6.35657 0.01 . . . . . . A 12 DG H1' . 30329 1
71 . 1 . 1 12 12 DG H2' H 1 2.56472 0.01 . . . . . . A 12 DG H2' . 30329 1
72 . 1 . 1 12 12 DG H2'' H 1 2.81228 0.01 . . . . . . A 12 DG H2'' . 30329 1
73 . 1 . 1 12 12 DG H3' H 1 4.87292 0.01 . . . . . . A 12 DG H3' . 30329 1
74 . 1 . 1 12 12 DG H8 H 1 8.14176 0.01 . . . . . . A 12 DG H8 . 30329 1
75 . 2 . 1 1 1 DCZ H1' H 1 5.96077 0.01 . . . . . . B 13 DCZ H1' . 30329 1
76 . 2 . 1 1 1 DCZ H2'1 H 1 2.20906 0.01 . . . . . . B 13 DCZ H2'1 . 30329 1
77 . 2 . 1 1 1 DCZ H2'2 H 1 2.61505 0.01 . . . . . . B 13 DCZ H2'2 . 30329 1
78 . 2 . 1 1 1 DCZ H3' H 1 4.90751 0.01 . . . . . . B 13 DCZ H3' . 30329 1
79 . 2 . 1 1 1 DCZ H5 H 1 6.12016 0.01 . . . . . . B 13 DCZ H5 . 30329 1
80 . 2 . 1 1 1 DCZ H6 H 1 7.85409 0.01 . . . . . . B 13 DCZ H6 . 30329 1
81 . 2 . 1 2 2 DG H1' H 1 6.19922 0.01 . . . . . . B 14 DG H1' . 30329 1
82 . 2 . 1 2 2 DG H2' H 1 2.8416 0.01 . . . . . . B 14 DG H2' . 30329 1
83 . 2 . 1 2 2 DG H2'' H 1 3.01822 0.01 . . . . . . B 14 DG H2'' . 30329 1
84 . 2 . 1 2 2 DG H3' H 1 5.1817 0.01 . . . . . . B 14 DG H3' . 30329 1
85 . 2 . 1 2 2 DG H4' H 1 4.55917 0.01 . . . . . . B 14 DG H4' . 30329 1
86 . 2 . 1 2 2 DG H8 H 1 8.17844 0.01 . . . . . . B 14 DG H8 . 30329 1
87 . 2 . 1 3 3 5CM H1' H 1 6.10758 0.01 . . . . . . B 15 5CM H1' . 30329 1
88 . 2 . 1 3 3 5CM H2' H 1 2.00076 0.01 . . . . . . B 15 5CM H2' . 30329 1
89 . 2 . 1 3 3 5CM H2'' H 1 2.67769 0.01 . . . . . . B 15 5CM H2'' . 30329 1
90 . 2 . 1 3 3 5CM H3' H 1 5.01157 0.01 . . . . . . B 15 5CM H3' . 30329 1
91 . 2 . 1 3 3 5CM H5A1 H 1 1.73599 0.01 . . . . . . B 15 5CM H5A1 . 30329 1
92 . 2 . 1 3 3 5CM H5A2 H 1 1.73599 0.01 . . . . . . B 15 5CM H5A2 . 30329 1
93 . 2 . 1 3 3 5CM H5A3 H 1 1.73599 0.01 . . . . . . B 15 5CM H5A3 . 30329 1
94 . 2 . 1 3 3 5CM H6 H 1 7.34675 0.01 . . . . . . B 15 5CM H6 . 30329 1
95 . 2 . 1 4 4 8OG H1' H 1 5.33307 0.01 . . . . . . B 16 8OG H1' . 30329 1
96 . 2 . 1 4 4 8OG H2' H 1 3.5882 0.01 . . . . . . B 16 8OG H2' . 30329 1
97 . 2 . 1 4 4 8OG H2'' H 1 2.60328 0.01 . . . . . . B 16 8OG H2'' . 30329 1
98 . 2 . 1 5 5 DA H1' H 1 6.22799 0.01 . . . . . . B 17 DA H1' . 30329 1
99 . 2 . 1 5 5 DA H2 H 1 7.41975 0.01 . . . . . . B 17 DA H2 . 30329 1
100 . 2 . 1 5 5 DA H2' H 1 2.91206 0.01 . . . . . . B 17 DA H2' . 30329 1
101 . 2 . 1 5 5 DA H2'' H 1 3.15016 0.01 . . . . . . B 17 DA H2'' . 30329 1
102 . 2 . 1 5 5 DA H3' H 1 5.26954 0.01 . . . . . . B 17 DA H3' . 30329 1
103 . 2 . 1 5 5 DA H4' H 1 4.64889 0.01 . . . . . . B 17 DA H4' . 30329 1
104 . 2 . 1 5 5 DA H8 H 1 8.39964 0.01 . . . . . . B 17 DA H8 . 30329 1
105 . 2 . 1 6 6 DA H1' H 1 6.3543 0.01 . . . . . . B 18 DA H1' . 30329 1
106 . 2 . 1 6 6 DA H2 H 1 7.82708 0.01 . . . . . . B 18 DA H2 . 30329 1
107 . 2 . 1 6 6 DA H2' H 1 2.77074 0.01 . . . . . . B 18 DA H2' . 30329 1
108 . 2 . 1 6 6 DA H2'' H 1 3.13377 0.01 . . . . . . B 18 DA H2'' . 30329 1
109 . 2 . 1 6 6 DA H3' H 1 5.20989 0.01 . . . . . . B 18 DA H3' . 30329 1
110 . 2 . 1 6 6 DA H4' H 1 4.66023 0.01 . . . . . . B 18 DA H4' . 30329 1
111 . 2 . 1 6 6 DA H8 H 1 8.33132 0.01 . . . . . . B 18 DA H8 . 30329 1
112 . 2 . 1 7 7 DT H1' H 1 6.10623 0.01 . . . . . . B 19 DT H1' . 30329 1
113 . 2 . 1 7 7 DT H2' H 1 2.18522 0.01 . . . . . . B 19 DT H2' . 30329 1
114 . 2 . 1 7 7 DT H2'' H 1 2.7756 0.01 . . . . . . B 19 DT H2'' . 30329 1
115 . 2 . 1 7 7 DT H3' H 1 5.01712 0.01 . . . . . . B 19 DT H3' . 30329 1
116 . 2 . 1 7 7 DT H6 H 1 7.32094 0.01 . . . . . . B 19 DT H6 . 30329 1
117 . 2 . 1 7 7 DT H71 H 1 1.47206 0.01 . . . . . . B 19 DT H71 . 30329 1
118 . 2 . 1 7 7 DT H72 H 1 1.47206 0.01 . . . . . . B 19 DT H72 . 30329 1
119 . 2 . 1 7 7 DT H73 H 1 1.47206 0.01 . . . . . . B 19 DT H73 . 30329 1
120 . 2 . 1 8 8 DT H1' H 1 6.31386 0.01 . . . . . . B 20 DT H1' . 30329 1
121 . 2 . 1 8 8 DT H2' H 1 2.38298 0.01 . . . . . . B 20 DT H2' . 30329 1
122 . 2 . 1 8 8 DT H2'' H 1 2.77096 0.01 . . . . . . B 20 DT H2'' . 30329 1
123 . 2 . 1 8 8 DT H3' H 1 5.10441 0.01 . . . . . . B 20 DT H3' . 30329 1
124 . 2 . 1 8 8 DT H6 H 1 7.57917 0.01 . . . . . . B 20 DT H6 . 30329 1
125 . 2 . 1 8 8 DT H71 H 1 1.71617 0.01 . . . . . . B 20 DT H71 . 30329 1
126 . 2 . 1 8 8 DT H72 H 1 1.71617 0.01 . . . . . . B 20 DT H72 . 30329 1
127 . 2 . 1 8 8 DT H73 H 1 1.71617 0.01 . . . . . . B 20 DT H73 . 30329 1
128 . 2 . 1 9 9 DC H1' H 1 5.88576 0.01 . . . . . . B 21 DC H1' . 30329 1
129 . 2 . 1 9 9 DC H2' H 1 2.22869 0.01 . . . . . . B 21 DC H2' . 30329 1
130 . 2 . 1 9 9 DC H2'' H 1 2.59814 0.01 . . . . . . B 21 DC H2'' . 30329 1
131 . 2 . 1 9 9 DC H3' H 1 5.07418 0.01 . . . . . . B 21 DC H3' . 30329 1
132 . 2 . 1 9 9 DC H5 H 1 5.84824 0.01 . . . . . . B 21 DC H5 . 30329 1
133 . 2 . 1 9 9 DC H6 H 1 7.66782 0.01 . . . . . . B 21 DC H6 . 30329 1
134 . 2 . 1 10 10 DG H1' H 1 6.0589 0.01 . . . . . . B 22 DG H1' . 30329 1
135 . 2 . 1 10 10 DG H3' H 1 5.18765 0.01 . . . . . . B 22 DG H3' . 30329 1
136 . 2 . 1 10 10 DG H4' H 1 4.57502 0.01 . . . . . . B 22 DG H4' . 30329 1
137 . 2 . 1 10 10 DG H8 H 1 8.11572 0.01 . . . . . . B 22 DG H8 . 30329 1
138 . 2 . 1 11 11 DC H1' H 1 5.97603 0.01 . . . . . . B 23 DC H1' . 30329 1
139 . 2 . 1 11 11 DC H2' H 1 2.08113 0.01 . . . . . . B 23 DC H2' . 30329 1
140 . 2 . 1 11 11 DC H2'' H 1 2.53554 0.01 . . . . . . B 23 DC H2'' . 30329 1
141 . 2 . 1 11 11 DC H3' H 1 5.00586 0.01 . . . . . . B 23 DC H3' . 30329 1
142 . 2 . 1 11 11 DC H5 H 1 5.60469 0.01 . . . . . . B 23 DC H5 . 30329 1
143 . 2 . 1 11 11 DC H6 H 1 7.50952 0.01 . . . . . . B 23 DC H6 . 30329 1
144 . 2 . 1 12 12 DG H1' H 1 6.35657 0.01 . . . . . . B 24 DG H1' . 30329 1
145 . 2 . 1 12 12 DG H2' H 1 2.56472 0.01 . . . . . . B 24 DG H2' . 30329 1
146 . 2 . 1 12 12 DG H2'' H 1 2.81228 0.01 . . . . . . B 24 DG H2'' . 30329 1
147 . 2 . 1 12 12 DG H3' H 1 4.87292 0.01 . . . . . . B 24 DG H3' . 30329 1
148 . 2 . 1 12 12 DG H8 H 1 8.14176 0.01 . . . . . . B 24 DG H8 . 30329 1
stop_
save_