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 30112
_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' . . . 30112 1
6 '2D 1H-31P CORR' . . . 30112 1
7 '2D NOESY 150 ms' . . . 30112 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 . . 30112 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 0.005 36 . . . . A 1 DT H1' . 30112 1
2 . 1 1 1 1 DT H2' H 1 2.147 0.004 32 . . . . A 1 DT H2' . 30112 1
3 . 1 1 1 1 DT H2'' H 1 2.518 0.004 32 . . . . A 1 DT H2'' . 30112 1
4 . 1 1 1 1 DT H3' H 1 4.727 0.004 34 . . . . A 1 DT H3' . 30112 1
5 . 1 1 1 1 DT H4' H 1 4.116 0.003 21 . . . . A 1 DT H4' . 30112 1
6 . 1 1 1 1 DT H6 H 1 7.551 0.001 28 . . . . A 1 DT H6 . 30112 1
7 . 1 1 1 1 DT H71 H 1 1.706 0.003 20 . . . . A 1 DT H71 . 30112 1
8 . 1 1 1 1 DT H72 H 1 1.706 0.003 20 . . . . A 1 DT H71 . 30112 1
9 . 1 1 1 1 DT H73 H 1 1.706 0.003 20 . . . . A 1 DT H71 . 30112 1
10 . 1 1 2 2 DT H1' H 1 5.702 0.002 36 . . . . A 2 DT H1' . 30112 1
11 . 1 1 2 2 DT H2' H 1 2.167 0.002 28 . . . . A 2 DT H2' . 30112 1
12 . 1 1 2 2 DT H2'' H 1 2.433 0.005 28 . . . . A 2 DT H2'' . 30112 1
13 . 1 1 2 2 DT H3' H 1 4.878 0.001 30 . . . . A 2 DT H3' . 30112 1
14 . 1 1 2 2 DT H4' H 1 4.170 0.004 22 . . . . A 2 DT H4' . 30112 1
15 . 1 1 2 2 DT H6 H 1 7.548 0.004 44 . . . . A 2 DT H6 . 30112 1
16 . 1 1 2 2 DT H71 H 1 1.818 0.003 40 . . . . A 2 DT H71 . 30112 1
17 . 1 1 2 2 DT H72 H 1 1.818 0.003 40 . . . . A 2 DT H71 . 30112 1
18 . 1 1 2 2 DT H73 H 1 1.818 0.003 40 . . . . A 2 DT H71 . 30112 1
19 . 1 1 2 2 DT P P 31 -0.72 . . . . . . A 2 DT P . 30112 1
20 . 1 1 3 3 DA H1' H 1 6.010 0.003 32 . . . . A 3 DA H1' . 30112 1
21 . 1 1 3 3 DA H2 H 1 7.598 0.001 16 . . . . A 3 DA H2 . 30112 1
22 . 1 1 3 3 DA H2' H 1 2.765 0.002 24 . . . . A 3 DA H2' . 30112 1
23 . 1 1 3 3 DA H2'' H 1 2.896 0.004 24 . . . . A 3 DA H2'' . 30112 1
24 . 1 1 3 3 DA H3' H 1 5.058 0.002 26 . . . . A 3 DA H3' . 30112 1
25 . 1 1 3 3 DA H4' H 1 4.417 0.002 21 . . . . A 3 DA H4' . 30112 1
26 . 1 1 3 3 DA H8 H 1 8.266 0.002 44 . . . . A 3 DA H8 . 30112 1
27 . 1 1 3 3 DA P P 31 -0.48 . . . . . . A 3 DA P . 30112 1
28 . 1 1 4 4 DG H1' H 1 5.611 0.006 28 . . . . A 4 DG H1' . 30112 1
29 . 1 1 4 4 DG H2' H 1 2.581 0.001 24 . . . . A 4 DG H2' . 30112 1
30 . 1 1 4 4 DG H2'' H 1 2.661 0.001 24 . . . . A 4 DG H2'' . 30112 1
31 . 1 1 4 4 DG H3' H 1 4.984 0.001 26 . . . . A 4 DG H3' . 30112 1
32 . 1 1 4 4 DG H4' H 1 4.396 0.003 21 . . . . A 4 DG H4' . 30112 1
33 . 1 1 4 4 DG H8 H 1 7.678 0.007 40 . . . . A 4 DG H8 . 30112 1
34 . 1 1 4 4 DG P P 31 -0.51 . . . . . . A 4 DG P . 30112 1
35 . 1 1 5 5 DG H1' H 1 5.912 0.003 28 . . . . A 5 DG H1' . 30112 1
36 . 1 1 5 5 DG H2' H 1 2.562 0.003 28 . . . . A 5 DG H2' . 30112 1
37 . 1 1 5 5 DG H2'' H 1 2.694 0.005 28 . . . . A 5 DG H2'' . 30112 1
38 . 1 1 5 5 DG H3' H 1 4.944 0.005 26 . . . . A 5 DG H3' . 30112 1
39 . 1 1 5 5 DG H4' H 1 4.412 0.001 22 . . . . A 5 DG H4' . 30112 1
40 . 1 1 5 5 DG H8 H 1 7.690 0.004 44 . . . . A 5 DG H8 . 30112 1
41 . 1 1 5 5 DG P P 31 -0.39 . . . . . . A 5 DG P . 30112 1
42 . 1 1 6 6 DC H1' H 1 5.943 0.008 23 . . . . A 6 DC H1' . 30112 1
43 . 1 1 6 6 DC H2' H 1 2.161 0.004 32 . . . . A 6 DC H2' . 30112 1
44 . 1 1 6 6 DC H2'' H 1 2.490 0.005 32 . . . . A 6 DC H2'' . 30112 1
45 . 1 1 6 6 DC H3' H 1 4.801 0.004 30 . . . . A 6 DC H3' . 30112 1
46 . 1 1 6 6 DC H4' H 1 4.144 0.004 25 . . . . A 6 DC H4' . 30112 1
47 . 1 1 6 6 DC H5 H 1 5.235 0.004 32 . . . . A 6 DC H5 . 30112 1
48 . 1 1 6 6 DC H6 H 1 7.369 0.004 52 . . . . A 6 DC H6 . 30112 1
49 . 1 1 6 6 DC P P 31 -0.55 . . . . . . A 6 DC P . 30112 1
50 . 1 1 7 7 DC H1' H 1 5.932 0.006 28 . . . . A 7 DC H1' . 30112 1
51 . 1 1 7 7 DC H2' H 1 2.088 0.004 32 . . . . A 7 DC H2' . 30112 1
52 . 1 1 7 7 DC H2'' H 1 2.453 0.004 32 . . . . A 7 DC H2'' . 30112 1
53 . 1 1 7 7 DC H3' H 1 4.980 0.009 31 . . . . A 7 DC H3' . 30112 1
54 . 1 1 7 7 DC H4' H 1 4.152 0.003 21 . . . . A 7 DC H4' . 30112 1
55 . 1 1 7 7 DC H5 H 1 5.571 0.002 32 . . . . A 7 DC H5 . 30112 1
56 . 1 1 7 7 DC H6 H 1 7.556 0.002 48 . . . . A 7 DC H6 . 30112 1
57 . 1 1 7 7 DC P P 31 -0.64 . . . . . . A 7 DC P . 30112 1
58 . 1 1 8 8 DT H1' H 1 5.861 0.002 32 . . . . A 8 DT H1' . 30112 1
59 . 1 1 8 8 DT H2' H 1 1.992 0.003 28 . . . . A 8 DT H2' . 30112 1
60 . 1 1 8 8 DT H2'' H 1 2.375 0.005 28 . . . . A 8 DT H2'' . 30112 1
61 . 1 1 8 8 DT H3' H 1 4.871 0.002 30 . . . . A 8 DT H3' . 30112 1
62 . 1 1 8 8 DT H4' H 1 4.156 0.007 22 . . . . A 8 DT H4' . 30112 1
63 . 1 1 8 8 DT H6 H 1 7.380 0.006 48 . . . . A 8 DT H6 . 30112 1
64 . 1 1 8 8 DT H71 H 1 1.728 0.002 44 . . . . A 8 DT H71 . 30112 1
65 . 1 1 8 8 DT H72 H 1 1.728 0.002 44 . . . . A 8 DT H71 . 30112 1
66 . 1 1 8 8 DT H73 H 1 1.728 0.002 44 . . . . A 8 DT H71 . 30112 1
67 . 1 1 8 8 DT P P 31 -0.70 . . . . . . A 8 DT P . 30112 1
68 . 1 1 9 9 DG H1' H 1 6.187 0.003 24 . . . . A 9 DG H1' . 30112 1
69 . 1 1 9 9 DG H2' H 1 2.390 0.003 20 . . . . A 9 DG H2' . 30112 1
70 . 1 1 9 9 DG H2'' H 1 2.655 0.003 20 . . . . A 9 DG H2'' . 30112 1
71 . 1 1 9 9 DG H3' H 1 4.713 0.003 21 . . . . A 9 DG H3' . 30112 1
72 . 1 1 9 9 DG H4' H 1 4.199 0.003 21 . . . . A 9 DG H4' . 30112 1
73 . 1 1 9 9 DG H8 H 1 7.960 0.001 41 . . . . A 9 DG H8 . 30112 1
74 . 1 1 9 9 DG P P 31 -0.43 . . . . . . A 9 DG P . 30112 1
75 . 2 2 1 1 DC H1' H 1 5.600 0.004 24 . . . . B 10 DC H1' . 30112 1
76 . 2 2 1 1 DC H2' H 1 1.857 0.007 28 . . . . B 10 DC H2' . 30112 1
77 . 2 2 1 1 DC H2'' H 1 2.318 0.004 28 . . . . B 10 DC H2'' . 30112 1
78 . 2 2 1 1 DC H3' H 1 4.687 0.002 30 . . . . B 10 DC H3' . 30112 1
79 . 2 2 1 1 DC H4' H 1 4.043 0.002 21 . . . . B 10 DC H4' . 30112 1
80 . 2 2 1 1 DC H5 H 1 5.954 0.002 16 . . . . B 10 DC H5 . 30112 1
81 . 2 2 1 1 DC H6 H 1 7.665 0.005 28 . . . . B 10 DC H6 . 30112 1
82 . 2 2 2 2 DA H1' H 1 5.914 0.003 28 . . . . B 11 DA H1' . 30112 1
83 . 2 2 2 2 DA H2 H 1 7.842 0.001 16 . . . . B 11 DA H2 . 30112 1
84 . 2 2 2 2 DA H2' H 1 2.765 0.004 24 . . . . B 11 DA H2' . 30112 1
85 . 2 2 2 2 DA H2'' H 1 2.886 0.002 24 . . . . B 11 DA H2'' . 30112 1
86 . 2 2 2 2 DA H3' H 1 5.027 0.002 26 . . . . B 11 DA H3' . 30112 1
87 . 2 2 2 2 DA H4' H 1 4.364 0.003 22 . . . . B 11 DA H4' . 30112 1
88 . 2 2 2 2 DA H8 H 1 8.259 0.002 44 . . . . B 11 DA H8 . 30112 1
89 . 2 2 2 2 DA P P 31 -0.44 . . . . . . B 11 DA P . 30112 1
90 . 2 2 3 3 DG H1' H 1 5.634 0.004 24 . . . . B 12 DG H1' . 30112 1
91 . 2 2 3 3 DG H2' H 1 2.599 0.004 20 . . . . B 12 DG H2' . 30112 1
92 . 2 2 3 3 DG H2'' H 1 2.695 0.001 20 . . . . B 12 DG H2'' . 30112 1
93 . 2 2 3 3 DG H3' H 1 5.004 0.002 26 . . . . B 12 DG H3' . 30112 1
94 . 2 2 3 3 DG H4' H 1 4.402 0.001 22 . . . . B 12 DG H4' . 30112 1
95 . 2 2 3 3 DG H8 H 1 7.696 0.002 40 . . . . B 12 DG H8 . 30112 1
96 . 2 2 3 3 DG P P 31 -0.50 . . . . . . B 12 DG P . 30112 1
97 . 2 2 4 4 DG H1' H 1 5.909 0.001 24 . . . . B 13 DG H1' . 30112 1
98 . 2 2 4 4 DG H2' H 1 2.576 0.001 24 . . . . B 13 DG H2' . 30112 1
99 . 2 2 4 4 DG H2'' H 1 2.708 0.003 24 . . . . B 13 DG H2'' . 30112 1
100 . 2 2 4 4 DG H3' H 1 4.949 0.001 26 . . . . B 13 DG H3' . 30112 1
101 . 2 2 4 4 DG H4' H 1 4.424 0.002 22 . . . . B 13 DG H4' . 30112 1
102 . 2 2 4 4 DG H8 H 1 7.687 0.002 24 . . . . B 13 DG H8 . 30112 1
103 . 2 2 4 4 DG P P 31 -0.40 . . . . . . B 13 DG P . 30112 1
104 . 2 2 5 5 DC H1' H 1 5.957 0.003 28 . . . . B 14 DC H1' . 30112 1
105 . 2 2 5 5 DC H2' H 1 2.183 0.005 32 . . . . B 14 DC H2' . 30112 1
106 . 2 2 5 5 DC H2'' H 1 2.513 0.003 32 . . . . B 14 DC H2'' . 30112 1
107 . 2 2 5 5 DC H3' H 1 4.803 0.002 26 . . . . B 14 DC H3' . 30112 1
108 . 2 2 5 5 DC H4' H 1 4.234 0.002 21 . . . . B 14 DC H4' . 30112 1
109 . 2 2 5 5 DC H5 H 1 5.234 0.002 36 . . . . B 14 DC H5 . 30112 1
110 . 2 2 5 5 DC H6 H 1 7.363 0.002 44 . . . . B 14 DC H6 . 30112 1
111 . 2 2 5 5 DC P P 31 -0.57 . . . . . . B 14 DC P . 30112 1
112 . 2 2 6 6 DC H1' H 1 5.862 0.002 28 . . . . B 15 DC H1' . 30112 1
113 . 2 2 6 6 DC H2' H 1 2.034 0.005 32 . . . . B 15 DC H2' . 30112 1
114 . 2 2 6 6 DC H2'' H 1 2.424 0.004 32 . . . . B 15 DC H2'' . 30112 1
115 . 2 2 6 6 DC H3' H 1 4.744 0.003 30 . . . . B 15 DC H3' . 30112 1
116 . 2 2 6 6 DC H4' H 1 4.121 0.012 21 . . . . B 15 DC H4' . 30112 1
117 . 2 2 6 6 DC H5 H 1 5.548 0.002 32 . . . . B 15 DC H5 . 30112 1
118 . 2 2 6 6 DC H6 H 1 7.534 0.002 48 . . . . B 15 DC H6 . 30112 1
119 . 2 2 6 6 DC P P 31 -0.56 . . . . . . B 15 DC P . 30112 1
120 . 2 2 7 7 DT H1' H 1 5.641 0.004 28 . . . . B 16 DT H1' . 30112 1
121 . 2 2 7 7 DT H2' H 1 1.893 0.004 28 . . . . B 16 DT H2' . 30112 1
122 . 2 2 7 7 DT H2'' H 1 2.251 0.005 28 . . . . B 16 DT H2'' . 30112 1
123 . 2 2 7 7 DT H3' H 1 4.811 0.002 30 . . . . B 16 DT H3' . 30112 1
124 . 2 2 7 7 DT H4' H 1 4.012 0.007 22 . . . . B 16 DT H4' . 30112 1
125 . 2 2 7 7 DT H6 H 1 7.340 0.003 48 . . . . B 16 DT H6 . 30112 1
126 . 2 2 7 7 DT H71 H 1 1.699 0.003 44 . . . . B 16 DT H71 . 30112 1
127 . 2 2 7 7 DT H72 H 1 1.699 0.003 44 . . . . B 16 DT H71 . 30112 1
128 . 2 2 7 7 DT H73 H 1 1.699 0.003 44 . . . . B 16 DT H71 . 30112 1
129 . 2 2 7 7 DT P P 31 -0.80 . . . . . . B 16 DT P . 30112 1
130 . 2 2 8 8 DA H1' H 1 5.971 0.003 36 . . . . B 17 DA H1' . 30112 1
131 . 2 2 8 8 DA H2 H 1 7.693 0.002 20 . . . . B 17 DA H2 . 30112 1
132 . 2 2 8 8 DA H2' H 1 2.664 0.003 24 . . . . B 17 DA H2' . 30112 1
133 . 2 2 8 8 DA H2'' H 1 2.768 0.001 24 . . . . B 17 DA H2'' . 30112 1
134 . 2 2 8 8 DA H3' H 1 5.000 0.002 26 . . . . B 17 DA H3' . 30112 1
135 . 2 2 8 8 DA H4' H 1 4.344 0.003 22 . . . . B 17 DA H4' . 30112 1
136 . 2 2 8 8 DA H8 H 1 8.118 0.002 40 . . . . B 17 DA H8 . 30112 1
137 . 2 2 8 8 DA P P 31 -0.62 . . . . . . B 17 DA P . 30112 1
138 . 2 2 9 9 DA H1' H 1 6.182 0.003 28 . . . . B 18 DA H1' . 30112 1
139 . 2 2 9 9 DA H2 H 1 7.432 0.003 24 . . . . B 18 DA H2 . 30112 1
140 . 2 2 9 9 DA H2' H 1 2.368 0.004 20 . . . . B 18 DA H2' . 30112 1
141 . 2 2 9 9 DA H2'' H 1 2.572 0.004 20 . . . . B 18 DA H2'' . 30112 1
142 . 2 2 9 9 DA H3' H 1 4.687 0.003 21 . . . . B 18 DA H3' . 30112 1
143 . 2 2 9 9 DA H4' H 1 4.200 0.001 21 . . . . B 18 DA H4' . 30112 1
144 . 2 2 9 9 DA H8 H 1 8.114 0.004 36 . . . . B 18 DA H8 . 30112 1
145 . 2 2 9 9 DA P P 31 -0.56 . . . . . . B 18 DA P . 30112 1
stop_
save_