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 51047
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name assigned_chem_shift_list_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
2 '2D 1H-1H NOESY' . . . 51047 1
3 '2D 1H-13C HSQC aromatic' . . . 51047 1
4 '2D 1H-13C HSQC anomeric' . . . 51047 1
stop_
loop_
_Chem_shift_software.Software_ID
_Chem_shift_software.Software_label
_Chem_shift_software.Method_ID
_Chem_shift_software.Method_label
_Chem_shift_software.Entry_ID
_Chem_shift_software.Assigned_chem_shift_list_ID
2 $software_2 . . 51047 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
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2 . 1 . 1 1 1 DC H6 H 1 7.6438 0.0 . 1 . . . . . 1 DC H6 . 51047 1
3 . 1 . 1 1 1 DC C1' C 13 88.0598 0.0 . 1 . . . . . 1 DC C1' . 51047 1
4 . 1 . 1 1 1 DC C6 C 13 143.3176 0.0 . 1 . . . . . 1 DC C6 . 51047 1
5 . 1 . 1 2 2 DG H1' H 1 5.9561 0.0 . 1 . . . . . 2 DG H1' . 51047 1
6 . 1 . 1 2 2 DG H8 H 1 7.9663 0.0 . 1 . . . . . 2 DG H8 . 51047 1
7 . 1 . 1 2 2 DG C1' C 13 84.585 0.0 . 1 . . . . . 2 DG C1' . 51047 1
8 . 1 . 1 2 2 DG C8 C 13 138.4542 0.0 . 1 . . . . . 2 DG C8 . 51047 1
9 . 1 . 1 3 3 DT H1' H 1 5.6601 0.0 . 1 . . . . . 3 DT H1' . 51047 1
10 . 1 . 1 3 3 DT H6 H 1 7.2242 0.0 . 1 . . . . . 3 DT H6 . 51047 1
11 . 1 . 1 3 3 DT H71 H 1 1.4817 0.0 . 1 . . . . . 3 DT H71 . 51047 1
12 . 1 . 1 3 3 DT H72 H 1 1.4817 0.0 . 1 . . . . . 3 DT H72 . 51047 1
13 . 1 . 1 3 3 DT C1' C 13 85.3668 0.0 . 1 . . . . . 3 DT C1' . 51047 1
14 . 1 . 1 3 3 DT C6 C 13 138.5548 0.0 . 1 . . . . . 3 DT C6 . 51047 1
15 . 1 . 1 3 3 DT H73 H 1 1.4817 0.0 . 1 . . . . . 3 DT H73 . 51047 1
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21 . 1 . 1 5 5 DG H8 H 1 7.5287 0.0 . 1 . . . . . 5 DG H8 . 51047 1
22 . 1 . 1 5 5 DG C1' C 13 84.4366 0.0 . 1 . . . . . 5 DG C1' . 51047 1
23 . 1 . 1 5 5 DG C8 C 13 137.1921 0.0 . 1 . . . . . 5 DG C8 . 51047 1
24 . 1 . 1 6 6 DT H1' H 1 5.7828 0.0 . 1 . . . . . 6 DT H1' . 51047 1
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48 . 1 . 1 10 10 DT H71 H 1 1.372 0.0 . 1 . . . . . 10 DT H71 . 51047 1
49 . 1 . 1 10 10 DT H72 H 1 1.372 0.0 . 1 . . . . . 10 DT H72 . 51047 1
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55 . 1 . 1 11 11 DG C1' C 13 84.6551 0.0 . 1 . . . . . 11 DG C1' . 51047 1
56 . 1 . 1 11 11 DG C8 C 13 138.2601 0.0 . 1 . . . . . 11 DG C8 . 51047 1
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69 . 1 . 1 14 14 DA H8 H 1 8.2988 0.0 . 1 . . . . . 14 DA H8 . 51047 1
70 . 1 . 1 14 14 DA C1' C 13 84.9115 0.0 . 1 . . . . . 14 DA C1' . 51047 1
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73 . 1 . 1 15 15 DC H6 H 1 7.3371 0.0 . 1 . . . . . 15 DC H6 . 51047 1
74 . 1 . 1 15 15 DC C1' C 13 86.2097 0.0 . 1 . . . . . 15 DC C1' . 51047 1
75 . 1 . 1 15 15 DC C6 C 13 142.3917 0.0 . 1 . . . . . 15 DC C6 . 51047 1
76 . 1 . 1 16 16 DC H1' H 1 6.2003 0.0 . 1 . . . . . 16 DC H1' . 51047 1
77 . 1 . 1 16 16 DC H6 H 1 7.6270 0.0 . 1 . . . . . 16 DC H6 . 51047 1
78 . 1 . 1 16 16 DC C1' C 13 87.1587 0.0 . 1 . . . . . 16 DC C1' . 51047 1
79 . 1 . 1 16 16 DC C6 C 13 144.0736 0.0 . 1 . . . . . 16 DC C6 . 51047 1
80 . 2 . 2 1 1 DG H1' H 1 5.6737 0.0 . 1 . . . . . 1 DG H1' . 51047 1
81 . 2 . 2 1 1 DG H8 H 1 7.8535 0.0 . 1 . . . . . 1 DG H8 . 51047 1
82 . 2 . 2 1 1 DG C1' C 13 85.3665 0.0 . 1 . . . . . 1 DG C1' . 51047 1
83 . 2 . 2 1 1 DG C8 C 13 138.993 0.0 . 1 . . . . . 1 DG C8 . 51047 1
84 . 2 . 2 2 2 DG H1' H 1 5.9742 0.0 . 1 . . . . . 2 DG H1' . 51047 1
85 . 2 . 2 2 2 DG H8 H 1 7.8244 0.0 . 1 . . . . . 2 DG H8 . 51047 1
86 . 2 . 2 2 2 DG C1' C 13 84.7825 0.0 . 1 . . . . . 2 DG C1' . 51047 1
87 . 2 . 2 2 2 DG C8 C 13 138.0653 0.0 . 1 . . . . . 2 DG C8 . 51047 1
88 . 2 . 2 3 3 DT H1' H 1 5.5889 0.0 . 1 . . . . . 3 DT H1' . 51047 1
89 . 2 . 2 3 3 DT H6 H 1 7.2116 0.0 . 1 . . . . . 3 DT H6 . 51047 1
90 . 2 . 2 3 3 DT H71 H 1 1.4269 0.0 . 1 . . . . . 3 DT H71 . 51047 1
91 . 2 . 2 3 3 DT H72 H 1 1.4269 0.0 . 1 . . . . . 3 DT H72 . 51047 1
92 . 2 . 2 3 3 DT H73 H 1 1.4269 0.0 . 1 . . . . . 3 DT H73 . 51047 1
93 . 2 . 2 3 3 DT C1' C 13 85.2983 0.0 . 1 . . . . . 3 DT C1' . 51047 1
94 . 2 . 2 3 3 DT C6 C 13 138.552 0.0 . 1 . . . . . 3 DT C6 . 51047 1
95 . 2 . 2 4 4 DA H1' H 1 5.9122 0.0 . 1 . . . . . 4 DA H1' . 51047 1
96 . 2 . 2 4 4 DA H8 H 1 8.2117 0.0 . 1 . . . . . 4 DA H8 . 51047 1
97 . 2 . 2 4 4 DA C1' C 13 84.5757 0.0 . 1 . . . . . 4 DA C1' . 51047 1
98 . 2 . 2 4 4 DA C8 C 13 141.702 0.0 . 1 . . . . . 4 DA C8 . 51047 1
99 . 2 . 2 5 5 DA H1' H 1 6.0459 0.0 . 1 . . . . . 5 DA H1' . 51047 1
100 . 2 . 2 5 5 DA H8 H 1 8.0708 0.0 . 1 . . . . . 5 DA H8 . 51047 1
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103 . 2 . 2 6 6 DC H1' H 1 5.4634 0.0 . 1 . . . . . 6 DC H1' . 51047 1
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105 . 2 . 2 6 6 DC C1' C 13 85.9172 0.0 . 1 . . . . . 6 DC C1' . 51047 1
106 . 2 . 2 6 6 DC C6 C 13 141.8839 0.0 . 1 . . . . . 6 DC C6 . 51047 1
107 . 2 . 2 7 7 DA H1' H 1 6.124 0.0 . 1 . . . . . 7 DA H1' . 51047 1
108 . 2 . 2 7 7 DA H8 H 1 8.1142 0.0 . 1 . . . . . 7 DA H8 . 51047 1
109 . 2 . 2 7 7 DA C1' C 13 85.2767 0.0 . 1 . . . . . 7 DA C1' . 51047 1
110 . 2 . 2 7 7 DA C8 C 13 141.5382 0.0 . 1 . . . . . 7 DA C8 . 51047 1
111 . 2 . 2 8 8 DT H1' H 1 5.6009 0.0 . 1 . . . . . 8 DT H1' . 51047 1
112 . 2 . 2 8 8 DT H6 H 1 7.0887 0.0 . 1 . . . . . 8 DT H6 . 51047 1
113 . 2 . 2 8 8 DT H71 H 1 1.3277 0.0 . 1 . . . . . 8 DT H71 . 51047 1
114 . 2 . 2 8 8 DT H72 H 1 1.3277 0.0 . 1 . . . . . 8 DT H72 . 51047 1
115 . 2 . 2 8 8 DT H73 H 1 1.3277 0.0 . 1 . . . . . 8 DT H73 . 51047 1
116 . 2 . 2 8 8 DT C1' C 13 84.7917 0.0 . 1 . . . . . 8 DT C1' . 51047 1
117 . 2 . 2 8 8 DT C6 C 13 138.3456 0.0 . 1 . . . . . 8 DT C6 . 51047 1
118 . 2 . 2 9 9 DA H1' H 1 6.1247 0.0 . 1 . . . . . 9 DA H1' . 51047 1
119 . 2 . 2 9 9 DA H8 H 1 8.161 0.0 . 1 . . . . . 9 DA H8 . 51047 1
120 . 2 . 2 9 9 DA C1' C 13 84.8465 0.0 . 1 . . . . . 9 DA C1' . 51047 1
121 . 2 . 2 9 9 DA C8 C 13 141.631 0.0 . 1 . . . . . 9 DA C8 . 51047 1
122 . 2 . 2 10 10 DC H1' H 1 5.4409 0.0 . 1 . . . . . 10 DC H1' . 51047 1
123 . 2 . 2 10 10 DC H6 H 1 7.2254 0.0 . 1 . . . . . 10 DC H6 . 51047 1
124 . 2 . 2 10 10 DC C1' C 13 85.9125 0.0 . 1 . . . . . 10 DC C1' . 51047 1
125 . 2 . 2 10 10 DC C6 C 13 142.1887 0.0 . 1 . . . . . 10 DC C6 . 51047 1
126 . 2 . 2 11 11 DA H1' H 1 6.1304 0.0 . 1 . . . . . 11 DA H1' . 51047 1
127 . 2 . 2 11 11 DA H8 H 1 8.16 0.0 . 1 . . . . . 11 DA H8 . 51047 1
128 . 2 . 2 11 11 DA C1' C 13 85.0698 0.0 . 1 . . . . . 11 DA C1' . 51047 1
129 . 2 . 2 11 11 DA C8 C 13 141.4458 0.0 . 1 . . . . . 11 DA C8 . 51047 1
130 . 2 . 2 12 12 DC H1' H 1 5.7642 0.0 . 1 . . . . . 12 DC H1' . 51047 1
131 . 2 . 2 12 12 DC H6 H 1 7.2365 0.0 . 1 . . . . . 12 DC H6 . 51047 1
132 . 2 . 2 12 12 DC C1' C 13 86.2749 0.0 . 1 . . . . . 12 DC C1' . 51047 1
133 . 2 . 2 12 12 DC C6 C 13 141.9346 0.0 . 1 . . . . . 12 DC C6 . 51047 1
134 . 2 . 2 13 13 DT H1' H 1 5.6373 0.0 . 1 . . . . . 13 DT H1' . 51047 1
135 . 2 . 2 13 13 DT H6 H 1 7.3243 0.0 . 1 . . . . . 13 DT H6 . 51047 1
136 . 2 . 2 13 13 DT C1' C 13 85.5661 0.0 . 1 . . . . . 13 DT C1' . 51047 1
137 . 2 . 2 13 13 DT C6 C 13 139.5715 0.0 . 1 . . . . . 13 DT C6 . 51047 1
138 . 2 . 2 14 14 DA H1' H 1 6.1603 0.0 . 1 . . . . . 14 DA H1' . 51047 1
139 . 2 . 2 14 14 DA H8 H 1 8.2742 0.0 . 1 . . . . . 14 DA H8 . 51047 1
140 . 2 . 2 14 14 DA C1' C 13 84.9098 0.0 . 1 . . . . . 14 DA C1' . 51047 1
141 . 2 . 2 14 14 DA C8 C 13 141.765 0.0 . 1 . . . . . 14 DA C8 . 51047 1
142 . 2 . 2 15 15 DC H1' H 1 5.6279 0.0 . 1 . . . . . 15 DC H1' . 51047 1
143 . 2 . 2 15 15 DC H6 H 1 7.2637 0.0 . 1 . . . . . 15 DC H6 . 51047 1
144 . 2 . 2 15 15 DC C1' C 13 86.0973 0.0 . 1 . . . . . 15 DC C1' . 51047 1
145 . 2 . 2 15 15 DC C6 C 13 142.4687 0.0 . 1 . . . . . 15 DC C6 . 51047 1
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147 . 2 . 2 16 16 DG H8 H 1 7.8789 0.0 . 1 . . . . . 16 DG H8 . 51047 1
148 . 2 . 2 16 16 DG C1' C 13 84.9003 0.0 . 1 . . . . . 16 DG C1' . 51047 1
149 . 2 . 2 16 16 DG C8 C 13 139.24 0.0 . 1 . . . . . 16 DG C8 . 51047 1
stop_
save_