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 25724
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $D2O_conditions
_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-31P CORR' . . . 25724 1
2 '2D 1H-1H NOESY 250 ms' . . . 25724 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 $SPARKY . . 25724 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 6.218 . . 1 . . . . 1 DA H1' . 25724 1
2 . 1 1 1 1 DA H2 H 1 7.992 . . 1 . . . . 1 DA H2 . 25724 1
3 . 1 1 1 1 DA H2' H 1 2.655 . . 1 . . . . 1 DA H2' . 25724 1
4 . 1 1 1 1 DA H2'' H 1 2.809 . . 1 . . . . 1 DA H2'' . 25724 1
5 . 1 1 1 1 DA H3' H 1 4.874 . . 1 . . . . 1 DA H3' . 25724 1
6 . 1 1 1 1 DA H4' H 1 4.270 . . 1 . . . . 1 DA H4' . 25724 1
7 . 1 1 1 1 DA H5' H 1 3.781 . . 1 . . . . 1 DA H5' . 25724 1
8 . 1 1 1 1 DA H5'' H 1 3.781 . . 1 . . . . 1 DA H5'' . 25724 1
9 . 1 1 1 1 DA H8 H 1 8.170 . . 1 . . . . 1 DA H8 . 25724 1
10 . 1 1 2 2 DT H1' H 1 5.611 . . 1 . . . . 2 DT H1' . 25724 1
11 . 1 1 2 2 DT H2' H 1 2.098 . . 1 . . . . 2 DT H2' . 25724 1
12 . 1 1 2 2 DT H2'' H 1 2.366 . . 1 . . . . 2 DT H2'' . 25724 1
13 . 1 1 2 2 DT H3' H 1 4.853 . . 1 . . . . 2 DT H3' . 25724 1
14 . 1 1 2 2 DT H4' H 1 4.163 . . 1 . . . . 2 DT H4' . 25724 1
15 . 1 1 2 2 DT H6 H 1 7.321 . . 1 . . . . 2 DT H6 . 25724 1
16 . 1 1 2 2 DT H71 H 1 1.429 . . 1 . . . . 2 DT H71 . 25724 1
17 . 1 1 2 2 DT H72 H 1 1.429 . . 1 . . . . 2 DT H72 . 25724 1
18 . 1 1 2 2 DT H73 H 1 1.429 . . 1 . . . . 2 DT H73 . 25724 1
19 . 1 1 2 2 DT P P 31 -0.678 . . 1 . . . . 2 DT P . 25724 1
20 . 1 1 3 3 DG H1' H 1 5.583 . . 1 . . . . 3 DG H1' . 25724 1
21 . 1 1 3 3 DG H2' H 1 2.647 . . 1 . . . . 3 DG H2' . 25724 1
22 . 1 1 3 3 DG H2'' H 1 2.728 . . 1 . . . . 3 DG H2'' . 25724 1
23 . 1 1 3 3 DG H3' H 1 4.984 . . 1 . . . . 3 DG H3' . 25724 1
24 . 1 1 3 3 DG H4' H 1 4.337 . . 1 . . . . 3 DG H4' . 25724 1
25 . 1 1 3 3 DG H8 H 1 7.834 . . 1 . . . . 3 DG H8 . 25724 1
26 . 1 1 3 3 DG P P 31 -0.236 . . 1 . . . . 3 DG P . 25724 1
27 . 1 1 4 4 DG H1' H 1 5.555 . . 1 . . . . 4 DG H1' . 25724 1
28 . 1 1 4 4 DG H2' H 1 2.608 . . 1 . . . . 4 DG H2' . 25724 1
29 . 1 1 4 4 DG H2'' H 1 2.745 . . 1 . . . . 4 DG H2'' . 25724 1
30 . 1 1 4 4 DG H3' H 1 5.014 . . 1 . . . . 4 DG H3' . 25724 1
31 . 1 1 4 4 DG H4' H 1 4.375 . . 1 . . . . 4 DG H4' . 25724 1
32 . 1 1 4 4 DG H8 H 1 7.762 . . 1 . . . . 4 DG H8 . 25724 1
33 . 1 1 4 4 DG P P 31 -0.319 . . 1 . . . . 4 DG P . 25724 1
34 . 1 1 5 5 DA H1' H 1 6.079 . . 1 . . . . 5 DA H1' . 25724 1
35 . 1 1 5 5 DA H2 H 1 7.699 . . 1 . . . . 5 DA H2 . 25724 1
36 . 1 1 5 5 DA H2' H 1 2.647 . . 1 . . . . 5 DA H2' . 25724 1
37 . 1 1 5 5 DA H2'' H 1 2.904 . . 1 . . . . 5 DA H2'' . 25724 1
38 . 1 1 5 5 DA H3' H 1 5.051 . . 1 . . . . 5 DA H3' . 25724 1
39 . 1 1 5 5 DA H4' H 1 4.434 . . 1 . . . . 5 DA H4' . 25724 1
40 . 1 1 5 5 DA H8 H 1 8.053 . . 1 . . . . 5 DA H8 . 25724 1
41 . 1 1 5 5 DA P P 31 -0.484 . . 1 . . . . 5 DA P . 25724 1
42 . 1 1 6 6 DG H1' H 1 5.708 . . 1 . . . . 6 DG H1' . 25724 1
43 . 1 1 6 6 DG H2' H 1 2.514 . . 1 . . . . 6 DG H2' . 25724 1
44 . 1 1 6 6 DG H2'' H 1 2.592 . . 1 . . . . 6 DG H2'' . 25724 1
45 . 1 1 6 6 DG H3' H 1 4.944 . . 1 . . . . 6 DG H3' . 25724 1
46 . 1 1 6 6 DG H4' H 1 4.375 . . 1 . . . . 6 DG H4' . 25724 1
47 . 1 1 6 6 DG H8 H 1 7.607 . . 1 . . . . 6 DG H8 . 25724 1
48 . 1 1 6 6 DG P P 31 -0.638 . . 1 . . . . 6 DG P . 25724 1
49 . 1 1 7 7 DC H1' H 1 5.880 . . 1 . . . . 7 DC H1' . 25724 1
50 . 1 1 7 7 DC H2' H 1 2.094 . . 1 . . . . 7 DC H2' . 25724 1
51 . 1 1 7 7 DC H2'' H 1 2.493 . . 1 . . . . 7 DC H2'' . 25724 1
52 . 1 1 7 7 DC H3' H 1 4.661 . . 1 . . . . 7 DC H3' . 25724 1
53 . 1 1 7 7 DC H4' H 1 4.197 . . 1 . . . . 7 DC H4' . 25724 1
54 . 1 1 7 7 DC H5 H 1 5.205 . . 1 . . . . 7 DC H5 . 25724 1
55 . 1 1 7 7 DC H6 H 1 7.369 . . 1 . . . . 7 DC H6 . 25724 1
56 . 1 1 7 7 DC P P 31 -0.298 . . 1 . . . . 7 DC P . 25724 1
57 . 1 1 8 8 DT H1' H 1 6.154 . . 1 . . . . 8 DT H1' . 25724 1
58 . 1 1 8 8 DT H2' H 1 2.210 . . 1 . . . . 8 DT H2' . 25724 1
59 . 1 1 8 8 DT H2'' H 1 2.544 . . 1 . . . . 8 DT H2'' . 25724 1
60 . 1 1 8 8 DT H3' H 1 4.884 . . 1 . . . . 8 DT H3' . 25724 1
61 . 1 1 8 8 DT H4' H 1 4.193 . . 1 . . . . 8 DT H4' . 25724 1
62 . 1 1 8 8 DT H6 H 1 7.533 . . 1 . . . . 8 DT H6 . 25724 1
63 . 1 1 8 8 DT H71 H 1 1.646 . . 1 . . . . 8 DT H71 . 25724 1
64 . 1 1 8 8 DT H72 H 1 1.646 . . 1 . . . . 8 DT H72 . 25724 1
65 . 1 1 8 8 DT H73 H 1 1.646 . . 1 . . . . 8 DT H73 . 25724 1
66 . 1 1 8 8 DT P P 31 -0.831 . . 1 . . . . 8 DT P . 25724 1
67 . 1 1 9 9 DC H1' H 1 6.292 . . 1 . . . . 9 DC H1' . 25724 1
68 . 1 1 9 9 DC H2' H 1 2.285 . . 1 . . . . 9 DC H2' . 25724 1
69 . 1 1 9 9 DC H2'' H 1 2.285 . . 1 . . . . 9 DC H2'' . 25724 1
70 . 1 1 9 9 DC H3' H 1 4.587 . . 1 . . . . 9 DC H3' . 25724 1
71 . 1 1 9 9 DC H4' H 1 4.030 . . 1 . . . . 9 DC H4' . 25724 1
72 . 1 1 9 9 DC H5 H 1 5.811 . . 1 . . . . 9 DC H5 . 25724 1
73 . 1 1 9 9 DC H6 H 1 7.670 . . 1 . . . . 9 DC H6 . 25724 1
74 . 1 1 9 9 DC P P 31 -0.425 . . 1 . . . . 9 DC P . 25724 1
75 . 2 2 1 1 DG H1' H 1 5.570 . . 1 . . . B 10 DG H1' . 25724 1
76 . 2 2 1 1 DG H2' H 1 2.509 . . 1 . . . B 10 DG H2' . 25724 1
77 . 2 2 1 1 DG H2'' H 1 2.704 . . 1 . . . B 10 DG H2'' . 25724 1
78 . 2 2 1 1 DG H3' H 1 4.841 . . 1 . . . B 10 DG H3' . 25724 1
79 . 2 2 1 1 DG H4' H 1 4.171 . . 1 . . . B 10 DG H4' . 25724 1
80 . 2 2 1 1 DG H5' H 1 3.675 . . 1 . . . B 10 DG H5' . 25724 1
81 . 2 2 1 1 DG H5'' H 1 3.675 . . 1 . . . B 10 DG H5'' . 25724 1
82 . 2 2 1 1 DG H8 H 1 7.885 . . 1 . . . B 10 DG H8 . 25724 1
83 . 2 2 2 2 DA H1' H 1 6.088 . . 1 . . . B 11 DA H1' . 25724 1
84 . 2 2 2 2 DA H2 H 1 7.854 . . 1 . . . B 11 DA H2 . 25724 1
85 . 2 2 2 2 DA H2' H 1 2.772 . . 1 . . . B 11 DA H2' . 25724 1
86 . 2 2 2 2 DA H2'' H 1 2.921 . . 1 . . . B 11 DA H2'' . 25724 1
87 . 2 2 2 2 DA H3' H 1 5.067 . . 1 . . . B 11 DA H3' . 25724 1
88 . 2 2 2 2 DA H4' H 1 4.438 . . 1 . . . B 11 DA H4' . 25724 1
89 . 2 2 2 2 DA H8 H 1 8.190 . . 1 . . . B 11 DA H8 . 25724 1
90 . 2 2 2 2 DA P P 31 -0.482 . . 1 . . . B 11 DA P . 25724 1
91 . 2 2 3 3 DG H1' H 1 5.794 . . 1 . . . B 12 DG H1' . 25724 1
92 . 2 2 3 3 DG H2' H 1 2.563 . . 1 . . . B 12 DG H2' . 25724 1
93 . 2 2 3 3 DG H2'' H 1 2.634 . . 1 . . . B 12 DG H2'' . 25724 1
94 . 2 2 3 3 DG H3' H 1 4.979 . . 1 . . . B 12 DG H3' . 25724 1
95 . 2 2 3 3 DG H4' H 1 4.420 . . 1 . . . B 12 DG H4' . 25724 1
96 . 2 2 3 3 DG H8 H 1 7.683 . . 1 . . . B 12 DG H8 . 25724 1
97 . 2 2 3 3 DG P P 31 -0.607 . . 1 . . . B 12 DG P . 25724 1
98 . 2 2 4 4 DC H1' H 1 5.895 . . 1 . . . B 13 DC H1' . 25724 1
99 . 2 2 4 4 DC H2' H 1 2.083 . . 1 . . . B 13 DC H2' . 25724 1
100 . 2 2 4 4 DC H2'' H 1 2.511 . . 1 . . . B 13 DC H2'' . 25724 1
101 . 2 2 4 4 DC H3' H 1 4.673 . . 1 . . . B 13 DC H3' . 25724 1
102 . 2 2 4 4 DC H4' H 1 4.236 . . 1 . . . B 13 DC H4' . 25724 1
103 . 2 2 4 4 DC H5 H 1 5.214 . . 1 . . . B 13 DC H5 . 25724 1
104 . 2 2 4 4 DC H6 H 1 7.377 . . 1 . . . B 13 DC H6 . 25724 1
105 . 2 2 4 4 DC P P 31 -0.341 . . 1 . . . B 13 DC P . 25724 1
106 . 2 2 5 5 DT H1' H 1 6.091 . . 1 . . . B 14 DT H1' . 25724 1
107 . 2 2 5 5 DT H2' H 1 2.225 . . 1 . . . B 14 DT H2' . 25724 1
108 . 2 2 5 5 DT H2'' H 1 2.570 . . 1 . . . B 14 DT H2'' . 25724 1
109 . 2 2 5 5 DT H3' H 1 4.882 . . 1 . . . B 14 DT H3' . 25724 1
110 . 2 2 5 5 DT H4' H 1 4.235 . . 1 . . . B 14 DT H4' . 25724 1
111 . 2 2 5 5 DT H6 H 1 7.480 . . 1 . . . B 14 DT H6 . 25724 1
112 . 2 2 5 5 DT H71 H 1 1.570 . . 1 . . . B 14 DT H71 . 25724 1
113 . 2 2 5 5 DT H72 H 1 1.570 . . 1 . . . B 14 DT H72 . 25724 1
114 . 2 2 5 5 DT H73 H 1 1.570 . . 1 . . . B 14 DT H73 . 25724 1
115 . 2 2 5 5 DT P P 31 -0.863 . . 1 . . . B 14 DT P . 25724 1
116 . 2 2 6 6 DC H1' H 1 5.922 . . 1 . . . B 15 DC H1' . 25724 1
117 . 2 2 6 6 DC H2' H 1 2.146 . . 1 . . . B 15 DC H2' . 25724 1
118 . 2 2 6 6 DC H2'' H 1 2.429 . . 1 . . . B 15 DC H2'' . 25724 1
119 . 2 2 6 6 DC H3' H 1 4.835 . . 1 . . . B 15 DC H3' . 25724 1
120 . 2 2 6 6 DC H4' H 1 4.166 . . 1 . . . B 15 DC H4' . 25724 1
121 . 2 2 6 6 DC H5 H 1 5.654 . . 1 . . . B 15 DC H5 . 25724 1
122 . 2 2 6 6 DC H6 H 1 7.552 . . 1 . . . B 15 DC H6 . 25724 1
123 . 2 2 6 6 DC P P 31 -0.684 . . 1 . . . B 15 DC P . 25724 1
124 . 2 2 7 7 DC H1' H 1 5.502 . . 1 . . . B 16 DC H1' . 25724 1
125 . 2 2 7 7 DC H2' H 1 1.984 . . 1 . . . B 16 DC H2' . 25724 1
126 . 2 2 7 7 DC H2'' H 1 2.338 . . 1 . . . B 16 DC H2'' . 25724 1
127 . 2 2 7 7 DC H3' H 1 4.817 . . 1 . . . B 16 DC H3' . 25724 1
128 . 2 2 7 7 DC H4' H 1 4.104 . . 1 . . . B 16 DC H4' . 25724 1
129 . 2 2 7 7 DC H5 H 1 5.662 . . 1 . . . B 16 DC H5 . 25724 1
130 . 2 2 7 7 DC H6 H 1 7.470 . . 1 . . . B 16 DC H6 . 25724 1
131 . 2 2 7 7 DC P P 31 -0.383 . . 1 . . . B 16 DC P . 25724 1
132 . 2 2 8 8 DA H1' H 1 6.308 . . 1 . . . B 17 DA H1' . 25724 1
133 . 2 2 8 8 DA H2 H 1 7.884 . . 1 . . . B 17 DA H2 . 25724 1
134 . 2 2 8 8 DA H2' H 1 2.775 . . 1 . . . B 17 DA H2' . 25724 1
135 . 2 2 8 8 DA H2'' H 1 2.872 . . 1 . . . B 17 DA H2'' . 25724 1
136 . 2 2 8 8 DA H3' H 1 5.013 . . 1 . . . B 17 DA H3' . 25724 1
137 . 2 2 8 8 DA H4' H 1 4.406 . . 1 . . . B 17 DA H4' . 25724 1
138 . 2 2 8 8 DA H8 H 1 8.328 . . 1 . . . B 17 DA H8 . 25724 1
139 . 2 2 8 8 DA P P 31 -0.280 . . 1 . . . B 17 DA P . 25724 1
140 . 2 2 9 9 DT H1' H 1 6.116 . . 1 . . . B 18 DT H1' . 25724 1
141 . 2 2 9 9 DT H2' H 1 2.161 . . 1 . . . B 18 DT H2' . 25724 1
142 . 2 2 9 9 DT H2'' H 1 2.161 . . 1 . . . B 18 DT H2'' . 25724 1
143 . 2 2 9 9 DT H3' H 1 4.519 . . 1 . . . B 18 DT H3' . 25724 1
144 . 2 2 9 9 DT H4' H 1 4.024 . . 1 . . . B 18 DT H4' . 25724 1
145 . 2 2 9 9 DT H6 H 1 7.285 . . 1 . . . B 18 DT H6 . 25724 1
146 . 2 2 9 9 DT H71 H 1 1.561 . . 1 . . . B 18 DT H71 . 25724 1
147 . 2 2 9 9 DT H72 H 1 1.561 . . 1 . . . B 18 DT H72 . 25724 1
148 . 2 2 9 9 DT H73 H 1 1.561 . . 1 . . . B 18 DT H73 . 25724 1
149 . 2 2 9 9 DT P P 31 -0.607 . . 1 . . . B 18 DT P . 25724 1
stop_
save_