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 19912
_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 .
_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 . 19912 1
2 '2D 1H-1H COSY' 1 $sample_1 . 19912 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
1 $TOPSPIN . . 19912 1
2 $SPARKY . . 19912 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.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 5.743 0.01 . 1 . . . . 1 DC H1' . 19912 1
2 . 1 1 1 1 DC H2' H 1 1.846 0.01 . 1 . . . . 1 DC H2' . 19912 1
3 . 1 1 1 1 DC H2'' H 1 2.346 0.01 . 1 . . . . 1 DC H2'' . 19912 1
4 . 1 1 1 1 DC H3' H 1 4.689 0.01 . 1 . . . . 1 DC H3' . 19912 1
5 . 1 1 1 1 DC H5 H 1 5.902 0.01 . 1 . . . . 1 DC H5 . 19912 1
6 . 1 1 1 1 DC H6 H 1 7.591 0.01 . 1 . . . . 1 DC H6 . 19912 1
7 . 1 1 2 2 DG H1' H 1 5.447 0.01 . 1 . . . . 2 DG H1' . 19912 1
8 . 1 1 2 2 DG H2' H 1 2.740 0.01 . 1 . . . . 2 DG H2' . 19912 1
9 . 1 1 2 2 DG H2'' H 1 2.696 0.01 . 1 . . . . 2 DG H2'' . 19912 1
10 . 1 1 2 2 DG H3' H 1 4.980 0.01 . 1 . . . . 2 DG H3' . 19912 1
11 . 1 1 2 2 DG H8 H 1 7.917 0.01 . 1 . . . . 2 DG H8 . 19912 1
12 . 1 1 3 3 DG H1' H 1 5.699 0.01 . 1 . . . . 3 DG H1' . 19912 1
13 . 1 1 3 3 DG H2' H 1 2.686 0.01 . 1 . . . . 3 DG H2' . 19912 1
14 . 1 1 3 3 DG H2'' H 1 2.819 0.01 . 1 . . . . 3 DG H2'' . 19912 1
15 . 1 1 3 3 DG H3' H 1 5.057 0.01 . 1 . . . . 3 DG H3' . 19912 1
16 . 1 1 3 3 DG H8 H 1 7.824 0.01 . 1 . . . . 3 DG H8 . 19912 1
17 . 1 1 4 4 DA H1' H 1 6.205 0.01 . 1 . . . . 4 DA H1' . 19912 1
18 . 1 1 4 4 DA H2 H 1 7.797 0.01 . 1 . . . . 4 DA H2 . 19912 1
19 . 1 1 4 4 DA H2' H 1 2.632 0.01 . 1 . . . . 4 DA H2' . 19912 1
20 . 1 1 4 4 DA H2'' H 1 2.919 0.01 . 1 . . . . 4 DA H2'' . 19912 1
21 . 1 1 4 4 DA H3' H 1 5.052 0.01 . 1 . . . . 4 DA H3' . 19912 1
22 . 1 1 4 4 DA H8 H 1 8.151 0.01 . 1 . . . . 4 DA H8 . 19912 1
23 . 1 1 5 5 DC H1' H 1 5.512 0.01 . 1 . . . . 5 DC H1' . 19912 1
24 . 1 1 5 5 DC H2' H 1 1.855 0.01 . 1 . . . . 5 DC H2' . 19912 1
25 . 1 1 5 5 DC H2'' H 1 2.306 0.01 . 1 . . . . 5 DC H2'' . 19912 1
26 . 1 1 5 5 DC H3' H 1 4.810 0.01 . 1 . . . . 5 DC H3' . 19912 1
27 . 1 1 5 5 DC H5 H 1 5.168 0.01 . 1 . . . . 5 DC H5 . 19912 1
28 . 1 1 5 5 DC H6 H 1 7.153 0.01 . 1 . . . . 5 DC H6 . 19912 1
29 . 1 1 6 6 6HB H1' H 1 5.589 0.01 . 1 . . . . 6 6HB H1' . 19912 1
30 . 1 1 6 6 6HB H2 H 1 6.945 0.01 . 1 . . . . 6 6HB H2 . 19912 1
31 . 1 1 6 6 6HB H2' H 1 2.640 0.01 . 1 . . . . 6 6HB H2' . 19912 1
32 . 1 1 6 6 6HB H2'' H 1 2.687 0.01 . 1 . . . . 6 6HB H2'' . 19912 1
33 . 1 1 6 6 6HB H3' H 1 5.014 0.01 . 1 . . . . 6 6HB H3' . 19912 1
34 . 1 1 6 6 6HB H8 H 1 8.195 0.01 . 1 . . . . 6 6HB H8 . 19912 1
35 . 1 1 6 6 6HB Ha1 H 1 3.962 0.01 . 1 . . . . 6 6HB Ha1 . 19912 1
36 . 1 1 6 6 6HB Ha2 H 1 2.857 0.01 . 1 . . . . 6 6HB Ha2 . 19912 1
37 . 1 1 6 6 6HB Hb H 1 4.292 0.01 . 1 . . . . 6 6HB Hb . 19912 1
38 . 1 1 6 6 6HB Hc H 1 5.891 0.01 . 1 . . . . 6 6HB Hc . 19912 1
39 . 1 1 6 6 6HB Hd1 H 1 5.305 0.01 . 1 . . . . 6 6HB Hd1 . 19912 1
40 . 1 1 6 6 6HB Hd2 H 1 5.407 0.01 . 1 . . . . 6 6HB Hd2 . 19912 1
41 . 1 1 7 7 DA H1' H 1 6.098 0.01 . 1 . . . . 7 DA H1' . 19912 1
42 . 1 1 7 7 DA H2 H 1 7.594 0.01 . 1 . . . . 7 DA H2 . 19912 1
43 . 1 1 7 7 DA H2' H 1 2.642 0.01 . 1 . . . . 7 DA H2' . 19912 1
44 . 1 1 7 7 DA H2'' H 1 2.897 0.01 . 1 . . . . 7 DA H2'' . 19912 1
45 . 1 1 7 7 DA H3' H 1 5.066 0.01 . 1 . . . . 7 DA H3' . 19912 1
46 . 1 1 7 7 DA H8 H 1 8.116 0.01 . 1 . . . . 7 DA H8 . 19912 1
47 . 1 1 8 8 DG H1' H 1 5.238 0.01 . 1 . . . . 8 DG H1' . 19912 1
48 . 1 1 8 8 DG H2' H 1 2.491 0.01 . 1 . . . . 8 DG H2' . 19912 1
49 . 1 1 8 8 DG H2'' H 1 2.600 0.01 . 1 . . . . 8 DG H2'' . 19912 1
50 . 1 1 8 8 DG H3' H 1 4.973 0.01 . 1 . . . . 8 DG H3' . 19912 1
51 . 1 1 8 8 DG H8 H 1 7.623 0.01 . 1 . . . . 8 DG H8 . 19912 1
52 . 1 1 9 9 DA H1' H 1 5.921 0.01 . 1 . . . . 9 DA H1' . 19912 1
53 . 1 1 9 9 DA H2 H 1 7.684 0.01 . 1 . . . . 9 DA H2 . 19912 1
54 . 1 1 9 9 DA H2' H 1 2.583 0.01 . 1 . . . . 9 DA H2' . 19912 1
55 . 1 1 9 9 DA H2'' H 1 2.853 0.01 . 1 . . . . 9 DA H2'' . 19912 1
56 . 1 1 9 9 DA H3' H 1 5.024 0.01 . 1 . . . . 9 DA H3' . 19912 1
57 . 1 1 9 9 DA H8 H 1 8.042 0.01 . 1 . . . . 9 DA H8 . 19912 1
58 . 1 1 10 10 DA H1' H 1 6.026 0.01 . 1 . . . . 10 DA H1' . 19912 1
59 . 1 1 10 10 DA H2 H 1 7.327 0.01 . 1 . . . . 10 DA H2 . 19912 1
60 . 1 1 10 10 DA H2' H 1 2.855 0.01 . 1 . . . . 10 DA H2' . 19912 1
61 . 1 1 10 10 DA H2'' H 1 2.560 0.01 . 1 . . . . 10 DA H2'' . 19912 1
62 . 1 1 10 10 DA H3' H 1 5.013 0.01 . 1 . . . . 10 DA H3' . 19912 1
63 . 1 1 10 10 DA H8 H 1 8.020 0.01 . 1 . . . . 10 DA H8 . 19912 1
64 . 1 1 11 11 DG H1' H 1 5.998 0.01 . 1 . . . . 11 DG H1' . 19912 1
65 . 1 1 11 11 DG H2' H 1 2.256 0.01 . 1 . . . . 11 DG H2' . 19912 1
66 . 1 1 11 11 DG H2'' H 1 2.349 0.01 . 1 . . . . 11 DG H2'' . 19912 1
67 . 1 1 11 11 DG H3' H 1 4.604 0.01 . 1 . . . . 11 DG H3' . 19912 1
68 . 1 1 11 11 DG H8 H 1 7.573 0.01 . 1 . . . . 11 DG H8 . 19912 1
69 . 2 2 1 1 DC H1' H 1 5.912 0.01 . 1 . . . B 12 DC H1' . 19912 1
70 . 2 2 1 1 DC H2' H 1 2.635 0.01 . 1 . . . B 12 DC H2' . 19912 1
71 . 2 2 1 1 DC H2'' H 1 2.326 0.01 . 1 . . . B 12 DC H2'' . 19912 1
72 . 2 2 1 1 DC H3' H 1 4.684 0.01 . 1 . . . B 12 DC H3' . 19912 1
73 . 2 2 1 1 DC H5 H 1 5.985 0.01 . 1 . . . B 12 DC H5 . 19912 1
74 . 2 2 1 1 DC H6 H 1 7.935 0.01 . 1 . . . B 12 DC H6 . 19912 1
75 . 2 2 2 2 DT H1' H 1 6.224 0.01 . 1 . . . B 13 DT H1' . 19912 1
76 . 2 2 2 2 DT H2' H 1 2.668 0.01 . 1 . . . B 13 DT H2' . 19912 1
77 . 2 2 2 2 DT H2'' H 1 2.291 0.01 . 1 . . . B 13 DT H2'' . 19912 1
78 . 2 2 2 2 DT H3' H 1 4.931 0.01 . 1 . . . B 13 DT H3' . 19912 1
79 . 2 2 2 2 DT H6 H 1 7.692 0.01 . 1 . . . B 13 DT H6 . 19912 1
80 . 2 2 2 2 DT H71 H 1 1.713 0.01 . 1 . . . B 13 DT H7 . 19912 1
81 . 2 2 2 2 DT H72 H 1 1.713 0.01 . 1 . . . B 13 DT H7 . 19912 1
82 . 2 2 2 2 DT H73 H 1 1.713 0.01 . 1 . . . B 13 DT H7 . 19912 1
83 . 2 2 3 3 DT H1' H 1 6.174 0.01 . 1 . . . B 14 DT H1' . 19912 1
84 . 2 2 3 3 DT H2' H 1 2.631 0.01 . 1 . . . B 14 DT H2' . 19912 1
85 . 2 2 3 3 DT H2'' H 1 2.291 0.01 . 1 . . . B 14 DT H2'' . 19912 1
86 . 2 2 3 3 DT H3' H 1 4.941 0.01 . 1 . . . B 14 DT H3' . 19912 1
87 . 2 2 3 3 DT H6 H 1 7.508 0.01 . 1 . . . B 14 DT H6 . 19912 1
88 . 2 2 3 3 DT H71 H 1 1.673 0.01 . 1 . . . B 14 DT H7 . 19912 1
89 . 2 2 3 3 DT H72 H 1 1.673 0.01 . 1 . . . B 14 DT H7 . 19912 1
90 . 2 2 3 3 DT H73 H 1 1.673 0.01 . 1 . . . B 14 DT H7 . 19912 1
91 . 2 2 4 4 DC H1' H 1 5.996 0.01 . 1 . . . B 15 DC H1' . 19912 1
92 . 2 2 4 4 DC H2' H 1 2.143 0.01 . 1 . . . B 15 DC H2' . 19912 1
93 . 2 2 4 4 DC H2'' H 1 2.547 0.01 . 1 . . . B 15 DC H2'' . 19912 1
94 . 2 2 4 4 DC H3' H 1 4.834 0.01 . 1 . . . B 15 DC H3' . 19912 1
95 . 2 2 4 4 DC H5 H 1 5.677 0.01 . 1 . . . B 15 DC H5 . 19912 1
96 . 2 2 4 4 DC H6 H 1 7.654 0.01 . 1 . . . B 15 DC H6 . 19912 1
97 . 2 2 5 5 DT H1' H 1 6.109 0.01 . 1 . . . B 16 DT H1' . 19912 1
98 . 2 2 5 5 DT H2' H 1 2.684 0.01 . 1 . . . B 16 DT H2' . 19912 1
99 . 2 2 5 5 DT H2'' H 1 2.128 0.01 . 1 . . . B 16 DT H2'' . 19912 1
100 . 2 2 5 5 DT H3' H 1 4.905 0.01 . 1 . . . B 16 DT H3' . 19912 1
101 . 2 2 5 5 DT H6 H 1 7.500 0.01 . 1 . . . B 16 DT H6 . 19912 1
102 . 2 2 5 5 DT H71 H 1 1.633 0.01 . 1 . . . B 16 DT H7 . 19912 1
103 . 2 2 5 5 DT H72 H 1 1.633 0.01 . 1 . . . B 16 DT H7 . 19912 1
104 . 2 2 5 5 DT H73 H 1 1.633 0.01 . 1 . . . B 16 DT H7 . 19912 1
105 . 2 2 6 6 DT H1' H 1 5.716 0.01 . 1 . . . B 17 DT H1' . 19912 1
106 . 2 2 6 6 DT H2' H 1 2.184 0.01 . 1 . . . B 17 DT H2' . 19912 1
107 . 2 2 6 6 DT H2'' H 1 2.488 0.01 . 1 . . . B 17 DT H2'' . 19912 1
108 . 2 2 6 6 DT H3' H 1 4.892 0.01 . 1 . . . B 17 DT H3' . 19912 1
109 . 2 2 6 6 DT H6 H 1 7.418 0.01 . 1 . . . B 17 DT H6 . 19912 1
110 . 2 2 6 6 DT H71 H 1 1.753 0.01 . 1 . . . B 17 DT H7 . 19912 1
111 . 2 2 6 6 DT H72 H 1 1.753 0.01 . 1 . . . B 17 DT H7 . 19912 1
112 . 2 2 6 6 DT H73 H 1 1.753 0.01 . 1 . . . B 17 DT H7 . 19912 1
113 . 2 2 7 7 DG H1' H 1 5.940 0.01 . 1 . . . B 18 DG H1' . 19912 1
114 . 2 2 7 7 DG H2' H 1 2.605 0.01 . 1 . . . B 18 DG H2' . 19912 1
115 . 2 2 7 7 DG H2'' H 1 2.755 0.01 . 1 . . . B 18 DG H2'' . 19912 1
116 . 2 2 7 7 DG H3' H 1 4.900 0.01 . 1 . . . B 18 DG H3' . 19912 1
117 . 2 2 7 7 DG H8 H 1 7.857 0.01 . 1 . . . B 18 DG H8 . 19912 1
118 . 2 2 8 8 DT H1' H 1 6.052 0.01 . 1 . . . B 19 DT H1' . 19912 1
119 . 2 2 8 8 DT H2' H 1 2.178 0.01 . 1 . . . B 19 DT H2' . 19912 1
120 . 2 2 8 8 DT H2'' H 1 2.534 0.01 . 1 . . . B 19 DT H2'' . 19912 1
121 . 2 2 8 8 DT H3' H 1 4.429 0.01 . 1 . . . B 19 DT H3' . 19912 1
122 . 2 2 8 8 DT H6 H 1 7.327 0.01 . 1 . . . B 19 DT H6 . 19912 1
123 . 2 2 8 8 DT H71 H 1 1.341 0.01 . 1 . . . B 19 DT H7 . 19912 1
124 . 2 2 8 8 DT H72 H 1 1.341 0.01 . 1 . . . B 19 DT H7 . 19912 1
125 . 2 2 8 8 DT H73 H 1 1.341 0.01 . 1 . . . B 19 DT H7 . 19912 1
126 . 2 2 9 9 DC H1' H 1 5.953 0.01 . 1 . . . B 20 DC H1' . 19912 1
127 . 2 2 9 9 DC H2' H 1 2.424 0.01 . 1 . . . B 20 DC H2' . 19912 1
128 . 2 2 9 9 DC H2'' H 1 2.134 0.01 . 1 . . . B 20 DC H2'' . 19912 1
129 . 2 2 9 9 DC H3' H 1 4.832 0.01 . 1 . . . B 20 DC H3' . 19912 1
130 . 2 2 9 9 DC H5 H 1 5.647 0.01 . 1 . . . B 20 DC H5 . 19912 1
131 . 2 2 9 9 DC H6 H 1 7.569 0.01 . 1 . . . B 20 DC H6 . 19912 1
132 . 2 2 10 10 DC H1' H 1 5.637 0.01 . 1 . . . B 21 DC H1' . 19912 1
133 . 2 2 10 10 DC H2' H 1 2.008 0.01 . 1 . . . B 21 DC H2' . 19912 1
134 . 2 2 10 10 DC H2'' H 1 2.343 0.01 . 1 . . . B 21 DC H2'' . 19912 1
135 . 2 2 10 10 DC H3' H 1 4.837 0.01 . 1 . . . B 21 DC H3' . 19912 1
136 . 2 2 10 10 DC H5 H 1 5.716 0.01 . 1 . . . B 21 DC H5 . 19912 1
137 . 2 2 10 10 DC H6 H 1 7.500 0.01 . 1 . . . B 21 DC H6 . 19912 1
138 . 2 2 11 11 DG H1' H 1 6.194 0.01 . 1 . . . B 22 DG H1' . 19912 1
139 . 2 2 11 11 DG H2' H 1 2.656 0.01 . 1 . . . B 22 DG H2' . 19912 1
140 . 2 2 11 11 DG H2'' H 1 2.390 0.01 . 1 . . . B 22 DG H2'' . 19912 1
141 . 2 2 11 11 DG H3' H 1 4.704 0.01 . 1 . . . B 22 DG H3' . 19912 1
142 . 2 2 11 11 DG H8 H 1 7.981 0.01 . 1 . . . B 22 DG H8 . 19912 1
stop_
save_