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 30105
_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 NOESY 250 ms' . . . 30105 1
7 '2D 1H-31P CORR' . . . 30105 1
8 '2D NOESY 150 ms' . . . 30105 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
4 $software_4 . . 30105 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 DA H1' H 1 6.215 0.001 . . . . . A 1 DA H1' . 30105 1
2 . 1 1 1 1 DA H2 H 1 7.982 0.001 . . . . . A 1 DA H2 . 30105 1
3 . 1 1 1 1 DA H2' H 1 2.656 0.002 . . . . . A 1 DA H2' . 30105 1
4 . 1 1 1 1 DA H2'' H 1 2.811 0.004 . . . . . A 1 DA H2'' . 30105 1
5 . 1 1 1 1 DA H3' H 1 4.876 0.002 . . . . . A 1 DA H3' . 30105 1
6 . 1 1 1 1 DA H4' H 1 4.274 0.002 . . . . . A 1 DA H4' . 30105 1
7 . 1 1 1 1 DA H8 H 1 8.178 0.002 . . . . . A 1 DA H8 . 30105 1
8 . 1 1 2 2 DT H1' H 1 5.587 0.002 . . . . . A 2 DT H1' . 30105 1
9 . 1 1 2 2 DT H2' H 1 2.095 0.002 . . . . . A 2 DT H2' . 30105 1
10 . 1 1 2 2 DT H2'' H 1 2.356 0.001 . . . . . A 2 DT H2'' . 30105 1
11 . 1 1 2 2 DT H3' H 1 4.845 0.000 . . . . . A 2 DT H3' . 30105 1
12 . 1 1 2 2 DT H4' H 1 4.161 0.002 . . . . . A 2 DT H4' . 30105 1
13 . 1 1 2 2 DT H6 H 1 7.317 0.002 . . . . . A 2 DT H6 . 30105 1
14 . 1 1 2 2 DT H71 H 1 1.407 0.001 . . . . . A 2 DT H71 . 30105 1
15 . 1 1 2 2 DT H72 H 1 1.407 0.001 . . . . . A 2 DT H71 . 30105 1
16 . 1 1 2 2 DT H73 H 1 1.407 0.001 . . . . . A 2 DT H71 . 30105 1
17 . 1 1 2 2 DT P P 31 -0.68 . . . . . . A 2 DT P . 30105 1
18 . 1 1 3 3 DG H1' H 1 5.578 0.003 . . . . . A 3 DG H1' . 30105 1
19 . 1 1 3 3 DG H2' H 1 2.646 0.004 . . . . . A 3 DG H2' . 30105 1
20 . 1 1 3 3 DG H2'' H 1 2.724 0.003 . . . . . A 3 DG H2'' . 30105 1
21 . 1 1 3 3 DG H3' H 1 4.986 0.003 . . . . . A 3 DG H3' . 30105 1
22 . 1 1 3 3 DG H4' H 1 4.337 0.003 . . . . . A 3 DG H4' . 30105 1
23 . 1 1 3 3 DG H8 H 1 7.821 0.017 . . . . . A 3 DG H8 . 30105 1
24 . 1 1 3 3 DG P P 31 -0.19 . . . . . . A 3 DG P . 30105 1
25 . 1 1 4 4 DG H1' H 1 5.589 0.003 . . . . . A 4 DG H1' . 30105 1
26 . 1 1 4 4 DG H2' H 1 2.613 0.002 . . . . . A 4 DG H2' . 30105 1
27 . 1 1 4 4 DG H2'' H 1 2.733 0.002 . . . . . A 4 DG H2'' . 30105 1
28 . 1 1 4 4 DG H3' H 1 5.018 0.002 . . . . . A 4 DG H3' . 30105 1
29 . 1 1 4 4 DG H4' H 1 4.382 0.002 . . . . . A 4 DG H4' . 30105 1
30 . 1 1 4 4 DG H8 H 1 7.743 0.001 . . . . . A 4 DG H8 . 30105 1
31 . 1 1 4 4 DG P P 31 -0.31 . . . . . . A 4 DG P . 30105 1
32 . 1 1 5 5 DA H1' H 1 6.080 0.002 . . . . . A 5 DA H1' . 30105 1
33 . 1 1 5 5 DA H2 H 1 7.671 0.001 . . . . . A 5 DA H2 . 30105 1
34 . 1 1 5 5 DA H2' H 1 2.738 0.003 . . . . . A 5 DA H2' . 30105 1
35 . 1 1 5 5 DA H2'' H 1 2.800 0.004 . . . . . A 5 DA H2'' . 30105 1
36 . 1 1 5 5 DA H3' H 1 5.016 0.002 . . . . . A 5 DA H3' . 30105 1
37 . 1 1 5 5 DA H4' H 1 4.443 0.001 . . . . . A 5 DA H4' . 30105 1
38 . 1 1 5 5 DA H8 H 1 8.031 0.002 . . . . . A 5 DA H8 . 30105 1
39 . 1 1 5 5 DA P P 31 -0.39 . . . . . . A 5 DA P . 30105 1
40 . 1 1 6 6 G H1' H 1 5.492 0.002 . . . . . A 6 G H1' . 30105 1
41 . 1 1 6 6 G H2' H 1 4.561 0.050 . . . . . A 6 G H2' . 30105 1
42 . 1 1 6 6 G H3' H 1 4.605 0.005 . . . . . A 6 G H3' . 30105 1
43 . 1 1 6 6 G H4' H 1 4.488 0.042 . . . . . A 6 G H4' . 30105 1
44 . 1 1 6 6 G H8 H 1 7.512 0.006 . . . . . A 6 G H8 . 30105 1
45 . 1 1 6 6 G P P 31 -0.40 . . . . . . A 6 G P . 30105 1
46 . 1 1 7 7 DC H1' H 1 5.778 0.002 . . . . . A 7 DC H1' . 30105 1
47 . 1 1 7 7 DC H2' H 1 2.266 0.002 . . . . . A 7 DC H2' . 30105 1
48 . 1 1 7 7 DC H2'' H 1 2.506 0.004 . . . . . A 7 DC H2'' . 30105 1
49 . 1 1 7 7 DC H3' H 1 4.521 0.002 . . . . . A 7 DC H3' . 30105 1
50 . 1 1 7 7 DC H4' H 1 4.214 0.002 . . . . . A 7 DC H4' . 30105 1
51 . 1 1 7 7 DC H5 H 1 5.169 0.004 . . . . . A 7 DC H5 . 30105 1
52 . 1 1 7 7 DC H6 H 1 7.537 0.002 . . . . . A 7 DC H6 . 30105 1
53 . 1 1 7 7 DC P P 31 0.50 . . . . . . A 7 DC P . 30105 1
54 . 1 1 8 8 DT H1' H 1 6.152 0.003 . . . . . A 8 DT H1' . 30105 1
55 . 1 1 8 8 DT H2' H 1 2.237 0.003 . . . . . A 8 DT H2' . 30105 1
56 . 1 1 8 8 DT H2'' H 1 2.575 0.004 . . . . . A 8 DT H2'' . 30105 1
57 . 1 1 8 8 DT H3' H 1 4.877 0.003 . . . . . A 8 DT H3' . 30105 1
58 . 1 1 8 8 DT H4' H 1 4.223 0.003 . . . . . A 8 DT H4' . 30105 1
59 . 1 1 8 8 DT H6 H 1 7.698 0.002 . . . . . A 8 DT H6 . 30105 1
60 . 1 1 8 8 DT H71 H 1 1.603 0.001 . . . . . A 8 DT H71 . 30105 1
61 . 1 1 8 8 DT H72 H 1 1.603 0.001 . . . . . A 8 DT H71 . 30105 1
62 . 1 1 8 8 DT H73 H 1 1.603 0.001 . . . . . A 8 DT H71 . 30105 1
63 . 1 1 8 8 DT P P 31 -1.12 . . . . . . A 8 DT P . 30105 1
64 . 1 1 9 9 DC H1' H 1 6.288 0.002 . . . . . A 9 DC H1' . 30105 1
65 . 1 1 9 9 DC H2' H 1 2.277 0.001 . . . . . A 9 DC H2' . 30105 1
66 . 1 1 9 9 DC H2'' H 1 2.276 0.001 . . . . . A 9 DC H2'' . 30105 1
67 . 1 1 9 9 DC H3' H 1 4.584 0.003 . . . . . A 9 DC H3' . 30105 1
68 . 1 1 9 9 DC H4' H 1 4.020 0.002 . . . . . A 9 DC H4' . 30105 1
69 . 1 1 9 9 DC H5 H 1 5.772 0.002 . . . . . A 9 DC H5 . 30105 1
70 . 1 1 9 9 DC H6 H 1 7.687 0.003 . . . . . A 9 DC H6 . 30105 1
71 . 1 1 9 9 DC P P 31 -0.47 . . . . . . A 9 DC P . 30105 1
72 . 2 2 1 1 DG H1' H 1 5.658 0.002 . . . . . B 10 DG H1' . 30105 1
73 . 2 2 1 1 DG H2' H 1 2.580 0.054 . . . . . B 10 DG H2' . 30105 1
74 . 2 2 1 1 DG H2'' H 1 2.751 0.003 . . . . . B 10 DG H2'' . 30105 1
75 . 2 2 1 1 DG H3' H 1 4.865 0.003 . . . . . B 10 DG H3' . 30105 1
76 . 2 2 1 1 DG H4' H 1 4.202 0.003 . . . . . B 10 DG H4' . 30105 1
77 . 2 2 1 1 DG H8 H 1 7.912 0.001 . . . . . B 10 DG H8 . 30105 1
78 . 2 2 2 2 DA H1' H 1 6.138 0.004 . . . . . B 11 DA H1' . 30105 1
79 . 2 2 2 2 DA H2 H 1 7.833 0.002 . . . . . B 11 DA H2 . 30105 1
80 . 2 2 2 2 DA H2' H 1 2.766 0.030 . . . . . B 11 DA H2' . 30105 1
81 . 2 2 2 2 DA H2'' H 1 2.947 0.003 . . . . . B 11 DA H2'' . 30105 1
82 . 2 2 2 2 DA H3' H 1 5.073 0.002 . . . . . B 11 DA H3' . 30105 1
83 . 2 2 2 2 DA H4' H 1 4.460 0.001 . . . . . B 11 DA H4' . 30105 1
84 . 2 2 2 2 DA H8 H 1 8.185 0.001 . . . . . B 11 DA H8 . 30105 1
85 . 2 2 2 2 DA P P 31 -0.53 . . . . . . B 11 DA P . 30105 1
86 . 2 2 3 3 DG H1' H 1 5.830 0.001 . . . . . B 12 DG H1' . 30105 1
87 . 2 2 3 3 DG H2' H 1 2.536 0.004 . . . . . B 12 DG H2' . 30105 1
88 . 2 2 3 3 DG H2'' H 1 2.665 0.003 . . . . . B 12 DG H2'' . 30105 1
89 . 2 2 3 3 DG H3' H 1 4.955 0.002 . . . . . B 12 DG H3' . 30105 1
90 . 2 2 3 3 DG H4' H 1 4.420 0.002 . . . . . B 12 DG H4' . 30105 1
91 . 2 2 3 3 DG H8 H 1 7.617 0.002 . . . . . B 12 DG H8 . 30105 1
92 . 2 2 3 3 DG P P 31 -0.57 . . . . . . B 12 DG P . 30105 1
93 . 2 2 4 4 DC H1' H 1 5.832 0.002 . . . . . B 13 DC H1' . 30105 1
94 . 2 2 4 4 DC H2' H 1 2.033 0.002 . . . . . B 13 DC H2' . 30105 1
95 . 2 2 4 4 DC H2'' H 1 2.500 0.003 . . . . . B 13 DC H2'' . 30105 1
96 . 2 2 4 4 DC H3' H 1 4.633 0.002 . . . . . B 13 DC H3' . 30105 1
97 . 2 2 4 4 DC H4' H 1 4.216 0.001 . . . . . B 13 DC H4' . 30105 1
98 . 2 2 4 4 DC H5 H 1 5.158 0.003 . . . . . B 13 DC H5 . 30105 1
99 . 2 2 4 4 DC H6 H 1 7.288 0.003 . . . . . B 13 DC H6 . 30105 1
100 . 2 2 4 4 DC P P 31 -0.45 . . . . . . B 13 DC P . 30105 1
101 . 2 2 5 5 DT H1' H 1 6.098 0.002 . . . . . B 14 DT H1' . 30105 1
102 . 2 2 5 5 DT H2' H 1 2.220 0.001 . . . . . B 14 DT H2' . 30105 1
103 . 2 2 5 5 DT H2'' H 1 2.566 0.003 . . . . . B 14 DT H2'' . 30105 1
104 . 2 2 5 5 DT H3' H 1 4.886 0.002 . . . . . B 14 DT H3' . 30105 1
105 . 2 2 5 5 DT H4' H 1 4.242 0.001 . . . . . B 14 DT H4' . 30105 1
106 . 2 2 5 5 DT H6 H 1 7.480 0.002 . . . . . B 14 DT H6 . 30105 1
107 . 2 2 5 5 DT H71 H 1 1.538 0.002 . . . . . B 14 DT H71 . 30105 1
108 . 2 2 5 5 DT H72 H 1 1.538 0.002 . . . . . B 14 DT H71 . 30105 1
109 . 2 2 5 5 DT H73 H 1 1.538 0.002 . . . . . B 14 DT H71 . 30105 1
110 . 2 2 5 5 DT P P 31 -0.92 . . . . . . B 14 DT P . 30105 1
111 . 2 2 6 6 DC H1' H 1 5.927 0.001 . . . . . B 15 DC H1' . 30105 1
112 . 2 2 6 6 DC H2' H 1 2.148 0.003 . . . . . B 15 DC H2' . 30105 1
113 . 2 2 6 6 DC H2'' H 1 2.420 0.002 . . . . . B 15 DC H2'' . 30105 1
114 . 2 2 6 6 DC H3' H 1 4.838 0.000 . . . . . B 15 DC H3' . 30105 1
115 . 2 2 6 6 DC H4' H 1 4.168 0.002 . . . . . B 15 DC H4' . 30105 1
116 . 2 2 6 6 DC H5 H 1 5.634 0.008 . . . . . B 15 DC H5 . 30105 1
117 . 2 2 6 6 DC H6 H 1 7.546 0.002 . . . . . B 15 DC H6 . 30105 1
118 . 2 2 6 6 DC P P 31 -0.70 . . . . . . B 15 DC P . 30105 1
119 . 2 2 7 7 DC H1' H 1 5.472 0.001 . . . . . B 16 DC H1' . 30105 1
120 . 2 2 7 7 DC H2' H 1 2.010 0.003 . . . . . B 16 DC H2' . 30105 1
121 . 2 2 7 7 DC H2'' H 1 2.344 0.002 . . . . . B 16 DC H2'' . 30105 1
122 . 2 2 7 7 DC H3' H 1 4.826 0.001 . . . . . B 16 DC H3' . 30105 1
123 . 2 2 7 7 DC H4' H 1 4.114 0.002 . . . . . B 16 DC H4' . 30105 1
124 . 2 2 7 7 DC H5 H 1 5.660 0.001 . . . . . B 16 DC H5 . 30105 1
125 . 2 2 7 7 DC H6 H 1 7.474 0.002 . . . . . B 16 DC H6 . 30105 1
126 . 2 2 7 7 DC P P 31 -0.36 . . . . . . B 16 DC P . 30105 1
127 . 2 2 8 8 DA H1' H 1 6.311 0.002 . . . . . B 17 DA H1' . 30105 1
128 . 2 2 8 8 DA H2 H 1 7.886 0.003 . . . . . B 17 DA H2 . 30105 1
129 . 2 2 8 8 DA H2' H 1 2.777 0.002 . . . . . B 17 DA H2' . 30105 1
130 . 2 2 8 8 DA H2'' H 1 2.884 0.003 . . . . . B 17 DA H2'' . 30105 1
131 . 2 2 8 8 DA H3' H 1 5.018 0.002 . . . . . B 17 DA H3' . 30105 1
132 . 2 2 8 8 DA H4' H 1 4.414 0.002 . . . . . B 17 DA H4' . 30105 1
133 . 2 2 8 8 DA H8 H 1 8.337 0.002 . . . . . B 17 DA H8 . 30105 1
134 . 2 2 8 8 DA P P 31 -0.23 . . . . . . B 17 DA P . 30105 1
135 . 2 2 9 9 DT H1' H 1 6.114 0.003 . . . . . B 18 DT H1' . 30105 1
136 . 2 2 9 9 DT H2' H 1 2.161 0.001 . . . . . B 18 DT H2' . 30105 1
137 . 2 2 9 9 DT H2'' H 1 2.161 0.001 . . . . . B 18 DT H2'' . 30105 1
138 . 2 2 9 9 DT H3' H 1 4.522 0.002 . . . . . B 18 DT H3' . 30105 1
139 . 2 2 9 9 DT H4' H 1 4.022 0.001 . . . . . B 18 DT H4' . 30105 1
140 . 2 2 9 9 DT H6 H 1 7.270 0.001 . . . . . B 18 DT H6 . 30105 1
141 . 2 2 9 9 DT H71 H 1 1.547 0.002 . . . . . B 18 DT H71 . 30105 1
142 . 2 2 9 9 DT H72 H 1 1.547 0.002 . . . . . B 18 DT H71 . 30105 1
143 . 2 2 9 9 DT H73 H 1 1.547 0.002 . . . . . B 18 DT H71 . 30105 1
144 . 2 2 9 9 DT P P 31 -0.60 . . . . . . B 18 DT P . 30105 1
stop_
save_