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 34245
_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 34245 1
2 '2D 1H-1H COSY' 1 $sample_1 isotropic 34245 1
3 '2D 1H-1H TOCSY' 1 $sample_1 isotropic 34245 1
4 '2D 1H-13C HSQC aliphatic' 1 $sample_1 isotropic 34245 1
5 '2D 1H-13C HSQC aromatic' 1 $sample_1 isotropic 34245 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 5.814 0.002 . . . . . . A 1 DC H1' . 34245 1
2 . 1 1 1 1 DC H2' H 1 2.053 0.002 . . . . . . A 1 DC H2' . 34245 1
3 . 1 1 1 1 DC H2'' H 1 2.462 0.001 . . . . . . A 1 DC H2'' . 34245 1
4 . 1 1 1 1 DC H5 H 1 5.933 0.001 . . . . . . A 1 DC H5 . 34245 1
5 . 1 1 1 1 DC H6 H 1 7.678 0.002 . . . . . . A 1 DC H6 . 34245 1
6 . 1 1 2 2 DG H1' H 1 6.094 0.002 . . . . . . A 2 DG H1' . 34245 1
7 . 1 1 2 2 DG H2' H 1 2.718 0.002 . . . . . . A 2 DG H2' . 34245 1
8 . 1 1 2 2 DG H2'' H 1 2.873 0.001 . . . . . . A 2 DG H2'' . 34245 1
9 . 1 1 2 2 DG H8 H 1 8.017 0.002 . . . . . . A 2 DG H8 . 34245 1
10 . 1 1 3 3 DT H1' H 1 5.997 0.003 . . . . . . A 3 DT H1' . 34245 1
11 . 1 1 3 3 DT H2' H 1 2.179 0.002 . . . . . . A 3 DT H2' . 34245 1
12 . 1 1 3 3 DT H2'' H 1 2.554 0.003 . . . . . . A 3 DT H2'' . 34245 1
13 . 1 1 3 3 DT H6 H 1 7.302 0.002 . . . . . . A 3 DT H6 . 34245 1
14 . 1 1 3 3 DT H71 H 1 1.533 0.002 . . . . . . A 3 DT H71 . 34245 1
15 . 1 1 3 3 DT H72 H 1 1.533 0.002 . . . . . . A 3 DT H72 . 34245 1
16 . 1 1 3 3 DT H73 H 1 1.533 0.002 . . . . . . A 3 DT H73 . 34245 1
17 . 1 1 4 4 DC H1' H 1 6.147 0.003 . . . . . . A 4 DC H1' . 34245 1
18 . 1 1 4 4 DC H2' H 1 2.145 0.003 . . . . . . A 4 DC H2' . 34245 1
19 . 1 1 4 4 DC H2'' H 1 2.610 0.002 . . . . . . A 4 DC H2'' . 34245 1
20 . 1 1 4 4 DC H5 H 1 5.554 0.001 . . . . . . A 4 DC H5 . 34245 1
21 . 1 1 4 4 DC H6 H 1 7.530 0.002 . . . . . . A 4 DC H6 . 34245 1
22 . 1 1 5 5 DT H1' H 1 5.930 0.002 . . . . . . A 5 DT H1' . 34245 1
23 . 1 1 5 5 DT H2' H 1 2.125 0.002 . . . . . . A 5 DT H2' . 34245 1
24 . 1 1 5 5 DT H2'' H 1 2.473 0.002 . . . . . . A 5 DT H2'' . 34245 1
25 . 1 1 5 5 DT H6 H 1 7.395 0.001 . . . . . . A 5 DT H6 . 34245 1
26 . 1 1 5 5 DT H71 H 1 1.709 0.002 . . . . . . A 5 DT H71 . 34245 1
27 . 1 1 5 5 DT H72 H 1 1.709 0.002 . . . . . . A 5 DT H72 . 34245 1
28 . 1 1 5 5 DT H73 H 1 1.709 0.002 . . . . . . A 5 DT H73 . 34245 1
29 . 1 1 6 6 DC H1' H 1 5.647 0.002 . . . . . . A 6 DC H1' . 34245 1
30 . 1 1 6 6 DC H2' H 1 2.160 0.001 . . . . . . A 6 DC H2' . 34245 1
31 . 1 1 6 6 DC H2'' H 1 2.468 0.001 . . . . . . A 6 DC H2'' . 34245 1
32 . 1 1 6 6 DC H5 H 1 5.731 0.001 . . . . . . A 6 DC H5 . 34245 1
33 . 1 1 6 6 DC H6 H 1 7.592 0.001 . . . . . . A 6 DC H6 . 34245 1
34 . 1 1 7 7 DA H1' H 1 6.214 0.002 . . . . . . A 7 DA H1' . 34245 1
35 . 1 1 7 7 DA H2 H 1 7.557 0.000 . . . . . . A 7 DA H2 . 34245 1
36 . 1 1 7 7 DA H2' H 1 2.676 0.003 . . . . . . A 7 DA H2' . 34245 1
37 . 1 1 7 7 DA H2'' H 1 2.911 0.002 . . . . . . A 7 DA H2'' . 34245 1
38 . 1 1 7 7 DA H8 H 1 8.329 0.002 . . . . . . A 7 DA H8 . 34245 1
39 . 1 1 8 8 DT H1' H 1 5.623 0.002 . . . . . . A 8 DT H1' . 34245 1
40 . 1 1 8 8 DT H2' H 1 1.913 0.001 . . . . . . A 8 DT H2' . 34245 1
41 . 1 1 8 8 DT H2'' H 1 2.303 0.003 . . . . . . A 8 DT H2'' . 34245 1
42 . 1 1 8 8 DT H6 H 1 7.079 0.003 . . . . . . A 8 DT H6 . 34245 1
43 . 1 1 8 8 DT H71 H 1 1.442 0.002 . . . . . . A 8 DT H71 . 34245 1
44 . 1 1 8 8 DT H72 H 1 1.442 0.002 . . . . . . A 8 DT H72 . 34245 1
45 . 1 1 8 8 DT H73 H 1 1.442 0.002 . . . . . . A 8 DT H73 . 34245 1
46 . 1 1 9 9 DG H1' H 1 5.534 0.002 . . . . . . A 9 DG H1' . 34245 1
47 . 1 1 9 9 DG H2' H 1 2.593 0.003 . . . . . . A 9 DG H2' . 34245 1
48 . 1 1 9 9 DG H2'' H 1 2.704 0.002 . . . . . . A 9 DG H2'' . 34245 1
49 . 1 1 9 9 DG H8 H 1 7.798 0.001 . . . . . . A 9 DG H8 . 34245 1
50 . 1 1 10 10 DA H1' H 1 6.156 0.001 . . . . . . A 10 DA H1' . 34245 1
51 . 1 1 10 10 DA H2 H 1 7.853 0.001 . . . . . . A 10 DA H2 . 34245 1
52 . 1 1 10 10 DA H2' H 1 2.557 0.003 . . . . . . A 10 DA H2' . 34245 1
53 . 1 1 10 10 DA H2'' H 1 2.822 0.002 . . . . . . A 10 DA H2'' . 34245 1
54 . 1 1 10 10 DA H8 H 1 8.122 0.003 . . . . . . A 10 DA H8 . 34245 1
55 . 1 1 11 11 DT H1' H 1 5.417 0.001 . . . . . . A 11 DT H1' . 34245 1
56 . 1 1 11 11 DT H2' H 1 1.489 0.001 . . . . . . A 11 DT H2' . 34245 1
57 . 1 1 11 11 DT H2'' H 1 2.032 0.002 . . . . . . A 11 DT H2'' . 34245 1
58 . 1 1 11 11 DT H6 H 1 6.926 0.003 . . . . . . A 11 DT H6 . 34245 1
59 . 1 1 11 11 DT H71 H 1 1.678 0.003 . . . . . . A 11 DT H71 . 34245 1
60 . 1 1 11 11 DT H72 H 1 1.678 0.003 . . . . . . A 11 DT H72 . 34245 1
61 . 1 1 11 11 DT H73 H 1 1.678 0.003 . . . . . . A 11 DT H73 . 34245 1
62 . 1 1 12 12 DA H1' H 1 6.118 0.002 . . . . . . A 12 DA H1' . 34245 1
63 . 1 1 12 12 DA H2 H 1 8.031 0.001 . . . . . . A 12 DA H2 . 34245 1
64 . 1 1 12 12 DA H2' H 1 2.741 0.002 . . . . . . A 12 DA H2' . 34245 1
65 . 1 1 12 12 DA H2'' H 1 2.780 0.002 . . . . . . A 12 DA H2'' . 34245 1
66 . 1 1 12 12 DA H8 H 1 8.308 0.003 . . . . . . A 12 DA H8 . 34245 1
67 . 1 1 13 13 DC H1' H 1 5.693 0.003 . . . . . . A 13 DC H1' . 34245 1
68 . 1 1 13 13 DC H2' H 1 1.885 0.003 . . . . . . A 13 DC H2' . 34245 1
69 . 1 1 13 13 DC H2'' H 1 2.308 0.001 . . . . . . A 13 DC H2'' . 34245 1
70 . 1 1 13 13 DC H5 H 1 5.400 0.002 . . . . . . A 13 DC H5 . 34245 1
71 . 1 1 13 13 DC H6 H 1 7.328 0.002 . . . . . . A 13 DC H6 . 34245 1
72 . 1 1 14 14 DG H1' H 1 6.167 0.002 . . . . . . A 14 DG H1' . 34245 1
73 . 1 1 14 14 DG H2' H 1 2.607 0.001 . . . . . . A 14 DG H2' . 34245 1
74 . 1 1 14 14 DG H2'' H 1 2.374 0.001 . . . . . . A 14 DG H2'' . 34245 1
75 . 1 1 14 14 DG H8 H 1 7.901 0.001 . . . . . . A 14 DG H8 . 34245 1
76 . 2 1 1 1 DC H1' H 1 5.814 0.002 . . . . . . B 15 DC H1' . 34245 1
77 . 2 1 1 1 DC H2' H 1 2.053 0.002 . . . . . . B 15 DC H2' . 34245 1
78 . 2 1 1 1 DC H2'' H 1 2.462 0.001 . . . . . . B 15 DC H2'' . 34245 1
79 . 2 1 1 1 DC H5 H 1 5.933 0.001 . . . . . . B 15 DC H5 . 34245 1
80 . 2 1 1 1 DC H6 H 1 7.678 0.002 . . . . . . B 15 DC H6 . 34245 1
81 . 2 1 2 2 DG H1' H 1 6.094 0.002 . . . . . . B 16 DG H1' . 34245 1
82 . 2 1 2 2 DG H2' H 1 2.718 0.002 . . . . . . B 16 DG H2' . 34245 1
83 . 2 1 2 2 DG H2'' H 1 2.873 0.001 . . . . . . B 16 DG H2'' . 34245 1
84 . 2 1 2 2 DG H8 H 1 8.017 0.002 . . . . . . B 16 DG H8 . 34245 1
85 . 2 1 3 3 DT H1' H 1 5.997 0.003 . . . . . . B 17 DT H1' . 34245 1
86 . 2 1 3 3 DT H2' H 1 2.179 0.002 . . . . . . B 17 DT H2' . 34245 1
87 . 2 1 3 3 DT H2'' H 1 2.554 0.003 . . . . . . B 17 DT H2'' . 34245 1
88 . 2 1 3 3 DT H6 H 1 7.302 0.002 . . . . . . B 17 DT H6 . 34245 1
89 . 2 1 3 3 DT H71 H 1 1.533 0.002 . . . . . . B 17 DT H71 . 34245 1
90 . 2 1 3 3 DT H72 H 1 1.533 0.002 . . . . . . B 17 DT H72 . 34245 1
91 . 2 1 3 3 DT H73 H 1 1.533 0.002 . . . . . . B 17 DT H73 . 34245 1
92 . 2 1 4 4 DC H1' H 1 6.147 0.003 . . . . . . B 18 DC H1' . 34245 1
93 . 2 1 4 4 DC H2' H 1 2.145 0.003 . . . . . . B 18 DC H2' . 34245 1
94 . 2 1 4 4 DC H2'' H 1 2.610 0.002 . . . . . . B 18 DC H2'' . 34245 1
95 . 2 1 4 4 DC H5 H 1 5.554 0.001 . . . . . . B 18 DC H5 . 34245 1
96 . 2 1 4 4 DC H6 H 1 7.530 0.002 . . . . . . B 18 DC H6 . 34245 1
97 . 2 1 5 5 DT H1' H 1 5.930 0.002 . . . . . . B 19 DT H1' . 34245 1
98 . 2 1 5 5 DT H2' H 1 2.125 0.002 . . . . . . B 19 DT H2' . 34245 1
99 . 2 1 5 5 DT H2'' H 1 2.473 0.002 . . . . . . B 19 DT H2'' . 34245 1
100 . 2 1 5 5 DT H6 H 1 7.395 0.001 . . . . . . B 19 DT H6 . 34245 1
101 . 2 1 5 5 DT H71 H 1 1.709 0.002 . . . . . . B 19 DT H71 . 34245 1
102 . 2 1 5 5 DT H72 H 1 1.709 0.002 . . . . . . B 19 DT H72 . 34245 1
103 . 2 1 5 5 DT H73 H 1 1.709 0.002 . . . . . . B 19 DT H73 . 34245 1
104 . 2 1 6 6 DC H1' H 1 5.647 0.002 . . . . . . B 20 DC H1' . 34245 1
105 . 2 1 6 6 DC H2' H 1 2.160 0.001 . . . . . . B 20 DC H2' . 34245 1
106 . 2 1 6 6 DC H2'' H 1 2.468 0.001 . . . . . . B 20 DC H2'' . 34245 1
107 . 2 1 6 6 DC H5 H 1 5.731 0.001 . . . . . . B 20 DC H5 . 34245 1
108 . 2 1 6 6 DC H6 H 1 7.592 0.001 . . . . . . B 20 DC H6 . 34245 1
109 . 2 1 7 7 DA H1' H 1 6.214 0.002 . . . . . . B 21 DA H1' . 34245 1
110 . 2 1 7 7 DA H2 H 1 7.557 0.000 . . . . . . B 21 DA H2 . 34245 1
111 . 2 1 7 7 DA H2' H 1 2.676 0.003 . . . . . . B 21 DA H2' . 34245 1
112 . 2 1 7 7 DA H2'' H 1 2.911 0.002 . . . . . . B 21 DA H2'' . 34245 1
113 . 2 1 7 7 DA H8 H 1 8.329 0.002 . . . . . . B 21 DA H8 . 34245 1
114 . 2 1 8 8 DT H1' H 1 5.623 0.002 . . . . . . B 22 DT H1' . 34245 1
115 . 2 1 8 8 DT H2' H 1 1.913 0.001 . . . . . . B 22 DT H2' . 34245 1
116 . 2 1 8 8 DT H2'' H 1 2.303 0.003 . . . . . . B 22 DT H2'' . 34245 1
117 . 2 1 8 8 DT H6 H 1 7.079 0.003 . . . . . . B 22 DT H6 . 34245 1
118 . 2 1 8 8 DT H71 H 1 1.442 0.002 . . . . . . B 22 DT H71 . 34245 1
119 . 2 1 8 8 DT H72 H 1 1.442 0.002 . . . . . . B 22 DT H72 . 34245 1
120 . 2 1 8 8 DT H73 H 1 1.442 0.002 . . . . . . B 22 DT H73 . 34245 1
121 . 2 1 9 9 DG H1' H 1 5.534 0.002 . . . . . . B 23 DG H1' . 34245 1
122 . 2 1 9 9 DG H2' H 1 2.593 0.003 . . . . . . B 23 DG H2' . 34245 1
123 . 2 1 9 9 DG H2'' H 1 2.704 0.002 . . . . . . B 23 DG H2'' . 34245 1
124 . 2 1 9 9 DG H8 H 1 7.798 0.001 . . . . . . B 23 DG H8 . 34245 1
125 . 2 1 10 10 DA H1' H 1 6.156 0.001 . . . . . . B 24 DA H1' . 34245 1
126 . 2 1 10 10 DA H2 H 1 7.853 0.001 . . . . . . B 24 DA H2 . 34245 1
127 . 2 1 10 10 DA H2' H 1 2.557 0.003 . . . . . . B 24 DA H2' . 34245 1
128 . 2 1 10 10 DA H2'' H 1 2.822 0.002 . . . . . . B 24 DA H2'' . 34245 1
129 . 2 1 10 10 DA H8 H 1 8.122 0.003 . . . . . . B 24 DA H8 . 34245 1
130 . 2 1 11 11 DT H1' H 1 5.417 0.001 . . . . . . B 25 DT H1' . 34245 1
131 . 2 1 11 11 DT H2' H 1 1.489 0.001 . . . . . . B 25 DT H2' . 34245 1
132 . 2 1 11 11 DT H2'' H 1 2.032 0.002 . . . . . . B 25 DT H2'' . 34245 1
133 . 2 1 11 11 DT H6 H 1 6.926 0.003 . . . . . . B 25 DT H6 . 34245 1
134 . 2 1 11 11 DT H71 H 1 1.678 0.003 . . . . . . B 25 DT H71 . 34245 1
135 . 2 1 11 11 DT H72 H 1 1.678 0.003 . . . . . . B 25 DT H72 . 34245 1
136 . 2 1 11 11 DT H73 H 1 1.678 0.003 . . . . . . B 25 DT H73 . 34245 1
137 . 2 1 12 12 DA H1' H 1 6.118 0.002 . . . . . . B 26 DA H1' . 34245 1
138 . 2 1 12 12 DA H2 H 1 8.031 0.001 . . . . . . B 26 DA H2 . 34245 1
139 . 2 1 12 12 DA H2' H 1 2.741 0.002 . . . . . . B 26 DA H2' . 34245 1
140 . 2 1 12 12 DA H2'' H 1 2.780 0.002 . . . . . . B 26 DA H2'' . 34245 1
141 . 2 1 12 12 DA H8 H 1 8.308 0.003 . . . . . . B 26 DA H8 . 34245 1
142 . 2 1 13 13 DC H1' H 1 5.693 0.003 . . . . . . B 27 DC H1' . 34245 1
143 . 2 1 13 13 DC H2' H 1 1.885 0.003 . . . . . . B 27 DC H2' . 34245 1
144 . 2 1 13 13 DC H2'' H 1 2.308 0.001 . . . . . . B 27 DC H2'' . 34245 1
145 . 2 1 13 13 DC H5 H 1 5.400 0.002 . . . . . . B 27 DC H5 . 34245 1
146 . 2 1 13 13 DC H6 H 1 7.328 0.002 . . . . . . B 27 DC H6 . 34245 1
147 . 2 1 14 14 DG H1' H 1 6.167 0.002 . . . . . . B 28 DG H1' . 34245 1
148 . 2 1 14 14 DG H2' H 1 2.607 0.001 . . . . . . B 28 DG H2' . 34245 1
149 . 2 1 14 14 DG H2'' H 1 2.374 0.001 . . . . . . B 28 DG H2'' . 34245 1
150 . 2 1 14 14 DG H8 H 1 7.901 0.001 . . . . . . B 28 DG H8 . 34245 1
stop_
save_