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 30117
_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' . . . 30117 1
9 '2D NOESY 150 ms' . . . 30117 1
10 '2D 1H-31P CORR' . . . 30117 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 . . 30117 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 DT H1' H 1 6.021 0.004 37 . . . . A 1 DT H1' . 30117 1
2 . 1 1 1 1 DT H2' H 1 2.141 0.002 32 . . . . A 1 DT H2' . 30117 1
3 . 1 1 1 1 DT H2'' H 1 2.519 0.003 32 . . . . A 1 DT H2'' . 30117 1
4 . 1 1 1 1 DT H3' H 1 4.726 0.002 35 . . . . A 1 DT H3' . 30117 1
5 . 1 1 1 1 DT H4' H 1 4.122 0.002 22 . . . . A 1 DT H4' . 30117 1
6 . 1 1 1 1 DT H6 H 1 7.555 0.001 29 . . . . A 1 DT H6 . 30117 1
7 . 1 1 1 1 DT H71 H 1 1.707 0.002 20 . . . . A 1 DT H71 . 30117 1
8 . 1 1 1 1 DT H72 H 1 1.707 0.002 20 . . . . A 1 DT H71 . 30117 1
9 . 1 1 1 1 DT H73 H 1 1.707 0.002 20 . . . . A 1 DT H71 . 30117 1
10 . 1 1 2 2 DT H1' H 1 5.672 0.002 37 . . . . A 2 DT H1' . 30117 1
11 . 1 1 2 2 DT H2' H 1 2.170 0.006 28 . . . . A 2 DT H2' . 30117 1
12 . 1 1 2 2 DT H2'' H 1 2.425 0.004 28 . . . . A 2 DT H2'' . 30117 1
13 . 1 1 2 2 DT H3' H 1 4.878 0.003 31 . . . . A 2 DT H3' . 30117 1
14 . 1 1 2 2 DT H4' H 1 4.164 0.002 23 . . . . A 2 DT H4' . 30117 1
15 . 1 1 2 2 DT H6 H 1 7.544 0.002 45 . . . . A 2 DT H6 . 30117 1
16 . 1 1 2 2 DT H71 H 1 1.809 0.002 40 . . . . A 2 DT H71 . 30117 1
17 . 1 1 2 2 DT H72 H 1 1.809 0.002 40 . . . . A 2 DT H71 . 30117 1
18 . 1 1 2 2 DT H73 H 1 1.809 0.002 40 . . . . A 2 DT H71 . 30117 1
19 . 1 1 2 2 DT P P 31 -0.79 . . . . . . A 2 DT P . 30117 1
20 . 1 1 3 3 DA H1' H 1 6.067 0.002 33 . . . . A 3 DA H1' . 30117 1
21 . 1 1 3 3 DA H2 H 1 7.604 0.002 25 . . . . A 3 DA H2 . 30117 1
22 . 1 1 3 3 DA H2' H 1 2.765 0.002 25 . . . . A 3 DA H2' . 30117 1
23 . 1 1 3 3 DA H2'' H 1 2.907 0.002 25 . . . . A 3 DA H2'' . 30117 1
24 . 1 1 3 3 DA H3' H 1 5.068 0.003 27 . . . . A 3 DA H3' . 30117 1
25 . 1 1 3 3 DA H4' H 1 4.429 0.002 23 . . . . A 3 DA H4' . 30117 1
26 . 1 1 3 3 DA H8 H 1 8.239 0.002 45 . . . . A 3 DA H8 . 30117 1
27 . 1 1 3 3 DA P P 31 -0.54 . . . . . . A 3 DA P . 30117 1
28 . 1 1 4 4 DG H1' H 1 5.684 0.004 29 . . . . A 4 DG H1' . 30117 1
29 . 1 1 4 4 DG H2' H 1 2.626 0.003 32 . . . . A 4 DG H2' . 30117 1
30 . 1 1 4 4 DG H2'' H 1 2.669 0.004 32 . . . . A 4 DG H2'' . 30117 1
31 . 1 1 4 4 DG H3' H 1 4.945 0.001 26 . . . . A 4 DG H3' . 30117 1
32 . 1 1 4 4 DG H4' H 1 4.425 0.002 23 . . . . A 4 DG H4' . 30117 1
33 . 1 1 4 4 DG H8 H 1 7.640 0.001 41 . . . . A 4 DG H8 . 30117 1
34 . 1 1 4 4 DG P P 31 -0.50 . . . . . . A 4 DG P . 30117 1
35 . 1 1 5 5 G H1' H 1 5.662 0.002 25 . . . . A 5 G H1' . 30117 1
36 . 1 1 5 5 G H2' H 1 4.524 0.011 17 . . . . A 5 G H2' . 30117 1
37 . 1 1 5 5 G H3' H 1 4.543 0.001 34 . . . . A 5 G H3' . 30117 1
38 . 1 1 5 5 G H4' H 1 4.504 0.003 30 . . . . A 5 G H4' . 30117 1
39 . 1 1 5 5 G H8 H 1 7.484 0.002 37 . . . . A 5 G H8 . 30117 1
40 . 1 1 5 5 G P P 31 0.02 . . . . . . A 5 G P . 30117 1
41 . 1 1 6 6 DC H1' H 1 5.849 0.004 33 . . . . A 6 DC H1' . 30117 1
42 . 1 1 6 6 DC H2' H 1 2.379 0.006 36 . . . . A 6 DC H2' . 30117 1
43 . 1 1 6 6 DC H2'' H 1 2.490 0.005 36 . . . . A 6 DC H2'' . 30117 1
44 . 1 1 6 6 DC H3' H 1 4.643 0.004 35 . . . . A 6 DC H3' . 30117 1
45 . 1 1 6 6 DC H4' H 1 4.192 0.003 21 . . . . A 6 DC H4' . 30117 1
46 . 1 1 6 6 DC H5 H 1 5.206 0.002 41 . . . . A 6 DC H5 . 30117 1
47 . 1 1 6 6 DC H6 H 1 7.570 0.002 45 . . . . A 6 DC H6 . 30117 1
48 . 1 1 6 6 DC P P 31 -0.44 . . . . . . A 6 DC P . 30117 1
49 . 1 1 7 7 DC H1' H 1 5.915 0.002 29 . . . . A 7 DC H1' . 30117 1
50 . 1 1 7 7 DC H2' H 1 2.135 0.004 32 . . . . A 7 DC H2' . 30117 1
51 . 1 1 7 7 DC H2'' H 1 2.481 0.004 32 . . . . A 7 DC H2'' . 30117 1
52 . 1 1 7 7 DC H3' H 1 4.748 0.003 35 . . . . A 7 DC H3' . 30117 1
53 . 1 1 7 7 DC H4' H 1 4.160 0.002 22 . . . . A 7 DC H4' . 30117 1
54 . 1 1 7 7 DC H5 H 1 5.580 0.003 41 . . . . A 7 DC H5 . 30117 1
55 . 1 1 7 7 DC H6 H 1 7.681 0.002 45 . . . . A 7 DC H6 . 30117 1
56 . 1 1 7 7 DC P P 31 -0.87 . . . . . . A 7 DC P . 30117 1
57 . 1 1 8 8 DT H1' H 1 5.925 0.002 33 . . . . A 8 DT H1' . 30117 1
58 . 1 1 8 8 DT H2' H 1 2.023 0.003 28 . . . . A 8 DT H2' . 30117 1
59 . 1 1 8 8 DT H2'' H 1 2.413 0.003 28 . . . . A 8 DT H2'' . 30117 1
60 . 1 1 8 8 DT H3' H 1 4.876 0.002 31 . . . . A 8 DT H3' . 30117 1
61 . 1 1 8 8 DT H4' H 1 4.178 0.004 22 . . . . A 8 DT H4' . 30117 1
62 . 1 1 8 8 DT H6 H 1 7.463 0.003 45 . . . . A 8 DT H6 . 30117 1
63 . 1 1 8 8 DT H71 H 1 1.697 0.002 44 . . . . A 8 DT H71 . 30117 1
64 . 1 1 8 8 DT H72 H 1 1.697 0.002 44 . . . . A 8 DT H71 . 30117 1
65 . 1 1 8 8 DT H73 H 1 1.697 0.002 44 . . . . A 8 DT H71 . 30117 1
66 . 1 1 8 8 DT P P 31 -1.02 . . . . . . A 8 DT P . 30117 1
67 . 1 1 9 9 DG H1' H 1 6.183 0.002 25 . . . . A 9 DG H1' . 30117 1
68 . 1 1 9 9 DG H2' H 1 2.393 0.004 20 . . . . A 9 DG H2' . 30117 1
69 . 1 1 9 9 DG H2'' H 1 2.634 0.003 20 . . . . A 9 DG H2'' . 30117 1
70 . 1 1 9 9 DG H3' H 1 4.703 0.003 22 . . . . A 9 DG H3' . 30117 1
71 . 1 1 9 9 DG H4' H 1 4.190 0.003 22 . . . . A 9 DG H4' . 30117 1
72 . 1 1 9 9 DG H8 H 1 7.953 0.001 41 . . . . A 9 DG H8 . 30117 1
73 . 1 1 9 9 DG P P 31 -0.54 . . . . . . A 9 DG P . 30117 1
74 . 2 2 1 1 DC H1' H 1 5.649 0.003 25 . . . . B 10 DC H1' . 30117 1
75 . 2 2 1 1 DC H2' H 1 1.915 0.004 28 . . . . B 10 DC H2' . 30117 1
76 . 2 2 1 1 DC H2'' H 1 2.365 0.004 28 . . . . B 10 DC H2'' . 30117 1
77 . 2 2 1 1 DC H3' H 1 4.700 0.002 31 . . . . B 10 DC H3' . 30117 1
78 . 2 2 1 1 DC H4' H 1 4.058 0.003 22 . . . . B 10 DC H4' . 30117 1
79 . 2 2 1 1 DC H5 H 1 5.957 0.003 17 . . . . B 10 DC H5 . 30117 1
80 . 2 2 1 1 DC H6 H 1 7.683 0.002 29 . . . . B 10 DC H6 . 30117 1
81 . 2 2 2 2 DA H1' H 1 6.034 0.004 29 . . . . B 11 DA H1' . 30117 1
82 . 2 2 2 2 DA H2 H 1 7.813 0.001 17 . . . . B 11 DA H2 . 30117 1
83 . 2 2 2 2 DA H2' H 1 2.785 0.002 25 . . . . B 11 DA H2' . 30117 1
84 . 2 2 2 2 DA H2'' H 1 2.934 0.002 25 . . . . B 11 DA H2'' . 30117 1
85 . 2 2 2 2 DA H3' H 1 5.046 0.003 27 . . . . B 11 DA H3' . 30117 1
86 . 2 2 2 2 DA H4' H 1 4.393 0.004 23 . . . . B 11 DA H4' . 30117 1
87 . 2 2 2 2 DA H8 H 1 8.264 0.002 45 . . . . B 11 DA H8 . 30117 1
88 . 2 2 2 2 DA P P 31 -0.53 . . . . . . B 11 DA P . 30117 1
89 . 2 2 3 3 DG H1' H 1 5.679 0.003 29 . . . . B 12 DG H1' . 30117 1
90 . 2 2 3 3 DG H2' H 1 2.609 0.006 24 . . . . B 12 DG H2' . 30117 1
91 . 2 2 3 3 DG H2'' H 1 2.675 0.002 24 . . . . B 12 DG H2'' . 30117 1
92 . 2 2 3 3 DG H3' H 1 4.995 0.002 27 . . . . B 12 DG H3' . 30117 1
93 . 2 2 3 3 DG H4' H 1 4.408 0.004 23 . . . . B 12 DG H4' . 30117 1
94 . 2 2 3 3 DG H8 H 1 7.667 0.002 41 . . . . B 12 DG H8 . 30117 1
95 . 2 2 3 3 DG P P 31 -0.61 . . . . . . B 12 DG P . 30117 1
96 . 2 2 4 4 DG H1' H 1 5.947 0.001 29 . . . . B 13 DG H1' . 30117 1
97 . 2 2 4 4 DG H2' H 1 2.564 0.002 28 . . . . B 13 DG H2' . 30117 1
98 . 2 2 4 4 DG H2'' H 1 2.706 0.003 25 . . . . B 13 DG H2'' . 30117 1
99 . 2 2 4 4 DG H3' H 1 4.886 0.002 27 . . . . B 13 DG H3' . 30117 1
100 . 2 2 4 4 DG H4' H 1 4.417 0.003 23 . . . . B 13 DG H4' . 30117 1
101 . 2 2 4 4 DG H8 H 1 7.608 0.001 42 . . . . B 13 DG H8 . 30117 1
102 . 2 2 4 4 DG P P 31 -0.36 . . . . . . B 13 DG P . 30117 1
103 . 2 2 5 5 DC H1' H 1 5.938 0.003 31 . . . . B 14 DC H1' . 30117 1
104 . 2 2 5 5 DC H2' H 1 2.211 0.004 32 . . . . B 14 DC H2' . 30117 1
105 . 2 2 5 5 DC H2'' H 1 2.507 0.002 32 . . . . B 14 DC H2'' . 30117 1
106 . 2 2 5 5 DC H3' H 1 4.767 0.003 31 . . . . B 14 DC H3' . 30117 1
107 . 2 2 5 5 DC H4' H 1 4.229 0.002 23 . . . . B 14 DC H4' . 30117 1
108 . 2 2 5 5 DC H5 H 1 5.174 0.003 37 . . . . B 14 DC H5 . 30117 1
109 . 2 2 5 5 DC H6 H 1 7.346 0.001 53 . . . . B 14 DC H6 . 30117 1
110 . 2 2 5 5 DC P P 31 -0.67 . . . . . . B 14 DC P . 30117 1
111 . 2 2 6 6 DC H1' H 1 5.867 0.004 31 . . . . B 15 DC H1' . 30117 1
112 . 2 2 6 6 DC H2' H 1 2.016 0.005 32 . . . . B 15 DC H2' . 30117 1
113 . 2 2 6 6 DC H2'' H 1 2.434 0.004 32 . . . . B 15 DC H2'' . 30117 1
114 . 2 2 6 6 DC H3' H 1 4.757 0.002 35 . . . . B 15 DC H3' . 30117 1
115 . 2 2 6 6 DC H4' H 1 4.123 0.002 23 . . . . B 15 DC H4' . 30117 1
116 . 2 2 6 6 DC H5 H 1 5.486 0.002 45 . . . . B 15 DC H5 . 30117 1
117 . 2 2 6 6 DC H6 H 1 7.502 0.004 53 . . . . B 15 DC H6 . 30117 1
118 . 2 2 6 6 DC P P 31 -0.69 . . . . . . B 15 DC P . 30117 1
119 . 2 2 7 7 DT H1' H 1 5.609 0.003 29 . . . . B 16 DT H1' . 30117 1
120 . 2 2 7 7 DT H2' H 1 1.936 0.004 28 . . . . B 16 DT H2' . 30117 1
121 . 2 2 7 7 DT H2'' H 1 2.265 0.004 28 . . . . B 16 DT H2'' . 30117 1
122 . 2 2 7 7 DT H3' H 1 4.830 0.005 19 . . . . B 16 DT H3' . 30117 1
123 . 2 2 7 7 DT H4' H 1 4.109 0.002 19 . . . . B 16 DT H4' . 30117 1
124 . 2 2 7 7 DT H6 H 1 7.355 0.002 49 . . . . B 16 DT H6 . 30117 1
125 . 2 2 7 7 DT H71 H 1 1.667 0.003 44 . . . . B 16 DT H71 . 30117 1
126 . 2 2 7 7 DT H72 H 1 1.667 0.003 44 . . . . B 16 DT H71 . 30117 1
127 . 2 2 7 7 DT H73 H 1 1.667 0.003 44 . . . . B 16 DT H71 . 30117 1
128 . 2 2 7 7 DT P P 31 -0.94 . . . . . . B 16 DT P . 30117 1
129 . 2 2 8 8 DA H1' H 1 5.969 0.002 37 . . . . B 17 DA H1' . 30117 1
130 . 2 2 8 8 DA H2 H 1 7.431 0.002 29 . . . . B 17 DA H2 . 30117 1
131 . 2 2 8 8 DA H2' H 1 2.674 0.003 24 . . . . B 17 DA H2' . 30117 1
132 . 2 2 8 8 DA H2'' H 1 2.772 0.003 24 . . . . B 17 DA H2'' . 30117 1
133 . 2 2 8 8 DA H3' H 1 5.011 0.002 27 . . . . B 17 DA H3' . 30117 1
134 . 2 2 8 8 DA H4' H 1 4.348 0.001 23 . . . . B 17 DA H4' . 30117 1
135 . 2 2 8 8 DA H8 H 1 8.124 0.003 41 . . . . B 17 DA H8 . 30117 1
136 . 2 2 8 8 DA P P 31 -0.62 . . . . . . B 17 DA P . 30117 1
137 . 2 2 9 9 DA H1' H 1 6.191 0.002 29 . . . . B 18 DA H1' . 30117 1
138 . 2 2 9 9 DA H2 H 1 7.689 0.006 21 . . . . B 18 DA H2 . 30117 1
139 . 2 2 9 9 DA H2' H 1 2.581 0.004 20 . . . . B 18 DA H2' . 30117 1
140 . 2 2 9 9 DA H2'' H 1 2.369 0.003 20 . . . . B 18 DA H2'' . 30117 1
141 . 2 2 9 9 DA H3' H 1 4.691 0.002 22 . . . . B 18 DA H3' . 30117 1
142 . 2 2 9 9 DA H4' H 1 4.205 0.003 22 . . . . B 18 DA H4' . 30117 1
143 . 2 2 9 9 DA H8 H 1 8.117 0.003 41 . . . . B 18 DA H8 . 30117 1
144 . 2 2 9 9 DA P P 31 -0.60 . . . . . . B 18 DA P . 30117 1
stop_
save_