Content for NMR-STAR saveframe, "shift_set_1"
save_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shift_set_1
_Assigned_chem_shift_list.Entry_ID 4362
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference
_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 NOESY 1 $sample_1 . 4362 1
2 COSY 1 $sample_1 . 4362 1
3 TOCSY 1 $sample_1 . 4362 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.Ambiguity_set_ID
_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 H6 H 1 7.68 0.011 . 1 . . . . . . . . . 4362 1
2 . 1 1 1 1 DT H71 H 1 1.75 0.010 . 1 . . . . . . . . . 4362 1
3 . 1 1 1 1 DT H72 H 1 1.75 0.010 . 1 . . . . . . . . . 4362 1
4 . 1 1 1 1 DT H73 H 1 1.75 0.010 . 1 . . . . . . . . . 4362 1
5 . 1 1 1 1 DT C6 C 13 139.66 0.067 . 1 . . . . . . . . . 4362 1
6 . 1 1 1 1 DT C7 C 13 14.38 0.077 . 1 . . . . . . . . . 4362 1
7 . 1 1 1 1 DT H1' H 1 6.03 0.014 . 1 . . . . . . . . . 4362 1
8 . 1 1 1 1 DT H2' H 1 2.33 0.023 . 1 . . . . . . . . . 4362 1
9 . 1 1 1 1 DT H2'' H 1 2.62 0.027 . 1 . . . . . . . . . 4362 1
10 . 1 1 1 1 DT H3' H 1 4.74 0.015 . 1 . . . . . . . . . 4362 1
11 . 1 1 1 1 DT H4' H 1 4.14 0.012 . 1 . . . . . . . . . 4362 1
12 . 1 1 1 1 DT H5' H 1 3.81 0.026 . 1 . . . . . . . . . 4362 1
13 . 1 1 1 1 DT H5'' H 1 3.81 0.026 . 1 . . . . . . . . . 4362 1
14 . 1 1 1 1 DT C1' C 13 87.81 0.092 . 1 . . . . . . . . . 4362 1
15 . 1 1 1 1 DT C2' C 13 40.54 0.181 . 1 . . . . . . . . . 4362 1
16 . 1 1 1 1 DT C3' C 13 77.20 0.114 . 1 . . . . . . . . . 4362 1
17 . 1 1 1 1 DT C4' C 13 88.49 0.098 . 1 . . . . . . . . . 4362 1
18 . 1 1 1 1 DT C5' C 13 63.32 0.131 . 1 . . . . . . . . . 4362 1
19 . 1 1 2 2 DT H6 H 1 7.70 0.012 . 1 . . . . . . . . . 4362 1
20 . 1 1 2 2 DT H71 H 1 1.80 0.014 . 1 . . . . . . . . . 4362 1
21 . 1 1 2 2 DT H72 H 1 1.80 0.014 . 1 . . . . . . . . . 4362 1
22 . 1 1 2 2 DT H73 H 1 1.80 0.014 . 1 . . . . . . . . . 4362 1
23 . 1 1 2 2 DT C6 C 13 139.67 0.076 . 1 . . . . . . . . . 4362 1
24 . 1 1 2 2 DT C7 C 13 14.57 0.089 . 1 . . . . . . . . . 4362 1
25 . 1 1 2 2 DT H1' H 1 6.04 0.019 . 1 . . . . . . . . . 4362 1
26 . 1 1 2 2 DT H2' H 1 2.63 0.023 . 1 . . . . . . . . . 4362 1
27 . 1 1 2 2 DT H2'' H 1 2.58 0.024 . 1 . . . . . . . . . 4362 1
28 . 1 1 2 2 DT H3' H 1 4.96 0.015 . 1 . . . . . . . . . 4362 1
29 . 1 1 2 2 DT H4' H 1 4.32 0.013 . 1 . . . . . . . . . 4362 1
30 . 1 1 2 2 DT H5' H 1 4.19 0.015 . 1 . . . . . . . . . 4362 1
31 . 1 1 2 2 DT H5'' H 1 4.19 0.015 . 1 . . . . . . . . . 4362 1
32 . 1 1 2 2 DT C1' C 13 86.74 0.097 . 1 . . . . . . . . . 4362 1
33 . 1 1 2 2 DT C2' C 13 40.56 0.182 . 1 . . . . . . . . . 4362 1
34 . 1 1 2 2 DT C3' C 13 76.88 0.103 . 1 . . . . . . . . . 4362 1
35 . 1 1 2 2 DT C4' C 13 86.07 0.102 . 1 . . . . . . . . . 4362 1
36 . 1 1 2 2 DT C5' C 13 67.33 0.101 . 1 . . . . . . . . . 4362 1
37 . 1 1 2 2 DT P P 31 -3.78 0.020 . 1 . . . . . . . . . 4362 1
38 . 1 1 3 3 DG H1 H 1 12.83 0.015 . 1 . . . . . . . . . 4362 1
39 . 1 1 3 3 DG H21 H 1 8.73 0.090 . 1 . . . . . . . . . 4362 1
40 . 1 1 3 3 DG H22 H 1 5.84 0.090 . 1 . . . . . . . . . 4362 1
41 . 1 1 3 3 DG H8 H 1 7.83 0.011 . 1 . . . . . . . . . 4362 1
42 . 1 1 3 3 DG C8 C 13 137.56 0.133 . 1 . . . . . . . . . 4362 1
43 . 1 1 3 3 DG H1' H 1 6.35 0.014 . 1 . . . . . . . . . 4362 1
44 . 1 1 3 3 DG H2' H 1 3.11 0.026 . 1 . . . . . . . . . 4362 1
45 . 1 1 3 3 DG H2'' H 1 2.39 0.026 . 1 . . . . . . . . . 4362 1
46 . 1 1 3 3 DG H3' H 1 4.86 0.020 . 1 . . . . . . . . . 4362 1
47 . 1 1 3 3 DG H4' H 1 4.33 0.018 . 1 . . . . . . . . . 4362 1
48 . 1 1 3 3 DG H5' H 1 4.38 0.013 . 1 . . . . . . . . . 4362 1
49 . 1 1 3 3 DG H5'' H 1 4.28 0.019 . 1 . . . . . . . . . 4362 1
50 . 1 1 3 3 DG C1' C 13 86.35 0.099 . 1 . . . . . . . . . 4362 1
51 . 1 1 3 3 DG C2' C 13 41.84 0.164 . 1 . . . . . . . . . 4362 1
52 . 1 1 3 3 DG C3' C 13 73.93 0.139 . 1 . . . . . . . . . 4362 1
53 . 1 1 3 3 DG C4' C 13 85.44 0.119 . 1 . . . . . . . . . 4362 1
54 . 1 1 3 3 DG C5' C 13 66.76 0.207 . 1 . . . . . . . . . 4362 1
55 . 1 1 3 3 DG P P 31 -3.28 0.030 . 1 . . . . . . . . . 4362 1
56 . 1 1 4 4 DG H1 H 1 12.76 0.017 . 1 . . . . . . . . . 4362 1
57 . 1 1 4 4 DG H21 H 1 8.21 0.022 . 1 . . . . . . . . . 4362 1
58 . 1 1 4 4 DG H22 H 1 6.37 0.027 . 1 . . . . . . . . . 4362 1
59 . 1 1 4 4 DG H8 H 1 7.21 0.017 . 1 . . . . . . . . . 4362 1
60 . 1 1 4 4 DG C8 C 13 136.82 0.133 . 1 . . . . . . . . . 4362 1
61 . 1 1 4 4 DG H1' H 1 5.67 0.020 . 1 . . . . . . . . . 4362 1
62 . 1 1 4 4 DG H2' H 1 2.77 0.024 . 1 . . . . . . . . . 4362 1
63 . 1 1 4 4 DG H2'' H 1 2.39 0.019 . 1 . . . . . . . . . 4362 1
64 . 1 1 4 4 DG H3' H 1 4.21 0.028 . 1 . . . . . . . . . 4362 1
65 . 1 1 4 4 DG H4' H 1 3.86 0.019 . 1 . . . . . . . . . 4362 1
66 . 1 1 4 4 DG H5' H 1 4.23 0.019 . 1 . . . . . . . . . 4362 1
67 . 1 1 4 4 DG H5'' H 1 4.07 0.026 . 1 . . . . . . . . . 4362 1
68 . 1 1 4 4 DG C1' C 13 87.51 0.105 . 1 . . . . . . . . . 4362 1
69 . 1 1 4 4 DG C2' C 13 44.38 0.133 . 1 . . . . . . . . . 4362 1
70 . 1 1 4 4 DG C3' C 13 73.49 0.259 . 1 . . . . . . . . . 4362 1
71 . 1 1 4 4 DG C4' C 13 87.21 0.157 . 1 . . . . . . . . . 4362 1
72 . 1 1 4 4 DG C5' C 13 69.18 0.387 . 1 . . . . . . . . . 4362 1
73 . 1 1 4 4 DG P P 31 -3.48 0.030 . 1 . . . . . . . . . 4362 1
74 . 1 1 5 5 DC H42 H 1 6.81 0.027 . 1 . . . . . . . . . 4362 1
75 . 1 1 5 5 DC H41 H 1 8.29 0.028 . 1 . . . . . . . . . 4362 1
76 . 1 1 5 5 DC H5 H 1 5.28 0.018 . 1 . . . . . . . . . 4362 1
77 . 1 1 5 5 DC H6 H 1 7.15 0.017 . 1 . . . . . . . . . 4362 1
78 . 1 1 5 5 DC C5 C 13 97.36 0.118 . 1 . . . . . . . . . 4362 1
79 . 1 1 5 5 DC C6 C 13 141.57 0.131 . 1 . . . . . . . . . 4362 1
80 . 1 1 5 5 DC H1' H 1 5.68 0.014 . 1 . . . . . . . . . 4362 1
81 . 1 1 5 5 DC H2' H 1 1.71 0.031 . 1 . . . . . . . . . 4362 1
82 . 1 1 5 5 DC H2'' H 1 2.13 0.019 . 1 . . . . . . . . . 4362 1
83 . 1 1 5 5 DC H3' H 1 4.16 0.022 . 1 . . . . . . . . . 4362 1
84 . 1 1 5 5 DC H4' H 1 1.58 0.022 . 1 . . . . . . . . . 4362 1
85 . 1 1 5 5 DC H5' H 1 3.60 0.023 . 1 . . . . . . . . . 4362 1
86 . 1 1 5 5 DC H5'' H 1 3.31 0.022 . 1 . . . . . . . . . 4362 1
87 . 1 1 5 5 DC C1' C 13 88.12 0.118 . 1 . . . . . . . . . 4362 1
88 . 1 1 5 5 DC C3' C 13 72.97 0.111 . 1 . . . . . . . . . 4362 1
89 . 1 1 5 5 DC C4' C 13 83.93 0.116 . 1 . . . . . . . . . 4362 1
90 . 1 1 5 5 DC C5' C 13 63.01 0.122 . 1 . . . . . . . . . 4362 1
91 . 1 1 5 5 DC P P 31 -4.66 0.020 . 1 . . . . . . . . . 4362 1
92 . 1 1 6 6 DC H42 H 1 6.59 0.027 . 1 . . . . . . . . . 4362 1
93 . 1 1 6 6 DC H41 H 1 8.46 0.027 . 1 . . . . . . . . . 4362 1
94 . 1 1 6 6 DC H5 H 1 5.51 0.020 . 1 . . . . . . . . . 4362 1
95 . 1 1 6 6 DC H6 H 1 7.56 0.016 . 1 . . . . . . . . . 4362 1
96 . 1 1 6 6 DC C5 C 13 98.13 0.121 . 1 . . . . . . . . . 4362 1
97 . 1 1 6 6 DC C6 C 13 142.42 0.138 . 1 . . . . . . . . . 4362 1
98 . 1 1 6 6 DC H1' H 1 6.19 0.015 . 1 . . . . . . . . . 4362 1
99 . 1 1 6 6 DC H2' H 1 2.10 0.029 . 1 . . . . . . . . . 4362 1
100 . 1 1 6 6 DC H2'' H 1 2.35 0.023 . 1 . . . . . . . . . 4362 1
101 . 1 1 6 6 DC H3' H 1 4.76 0.015 . 1 . . . . . . . . . 4362 1
102 . 1 1 6 6 DC H4' H 1 4.61 0.015 . 1 . . . . . . . . . 4362 1
103 . 1 1 6 6 DC H5' H 1 3.45 0.025 . 1 . . . . . . . . . 4362 1
104 . 1 1 6 6 DC H5'' H 1 4.21 0.023 . 1 . . . . . . . . . 4362 1
105 . 1 1 6 6 DC C1' C 13 88.53 0.094 . 1 . . . . . . . . . 4362 1
106 . 1 1 6 6 DC C2' C 13 42.27 0.197 . 1 . . . . . . . . . 4362 1
107 . 1 1 6 6 DC C3' C 13 76.64 0.133 . 1 . . . . . . . . . 4362 1
108 . 1 1 6 6 DC C4' C 13 86.15 0.119 . 1 . . . . . . . . . 4362 1
109 . 1 1 6 6 DC C5' C 13 66.39 0.133 . 1 . . . . . . . . . 4362 1
110 . 1 1 6 6 DC P P 31 -4.79 0.030 . 1 . . . . . . . . . 4362 1
111 . 1 1 7 7 DA H2 H 1 7.42 0.014 . 1 . . . . . . . . . 4362 1
112 . 1 1 7 7 DA H8 H 1 8.18 0.011 . 1 . . . . . . . . . 4362 1
113 . 1 1 7 7 DA C2 C 13 154.33 0.106 . 1 . . . . . . . . . 4362 1
114 . 1 1 7 7 DA C8 C 13 141.83 0.102 . 1 . . . . . . . . . 4362 1
115 . 1 1 7 7 DA H1' H 1 6.11 0.019 . 1 . . . . . . . . . 4362 1
116 . 1 1 7 7 DA H2' H 1 2.64 0.031 . 1 . . . . . . . . . 4362 1
117 . 1 1 7 7 DA H2'' H 1 2.86 0.028 . 1 . . . . . . . . . 4362 1
118 . 1 1 7 7 DA H3' H 1 5.02 0.013 . 1 . . . . . . . . . 4362 1
119 . 1 1 7 7 DA H4' H 1 4.26 0.013 . 1 . . . . . . . . . 4362 1
120 . 1 1 7 7 DA H5' H 1 3.83 0.023 . 1 . . . . . . . . . 4362 1
121 . 1 1 7 7 DA H5'' H 1 4.14 0.019 . 1 . . . . . . . . . 4362 1
122 . 1 1 7 7 DA C1' C 13 85.71 0.137 . 1 . . . . . . . . . 4362 1
123 . 1 1 7 7 DA C2' C 13 41.67 0.133 . 1 . . . . . . . . . 4362 1
124 . 1 1 7 7 DA C3' C 13 81.69 0.094 . 1 . . . . . . . . . 4362 1
125 . 1 1 7 7 DA C4' C 13 88.04 0.106 . 1 . . . . . . . . . 4362 1
126 . 1 1 7 7 DA C5' C 13 68.76 0.152 . 1 . . . . . . . . . 4362 1
127 . 1 1 7 7 DA P P 31 -4.66 0.020 . 1 . . . . . . . . . 4362 1
128 . 1 1 8 8 DA H2 H 1 7.78 0.014 . 1 . . . . . . . . . 4362 1
129 . 1 1 8 8 DA H8 H 1 8.09 0.010 . 1 . . . . . . . . . 4362 1
130 . 1 1 8 8 DA C2 C 13 154.92 0.089 . 1 . . . . . . . . . 4362 1
131 . 1 1 8 8 DA C8 C 13 141.80 0.082 . 1 . . . . . . . . . 4362 1
132 . 1 1 8 8 DA H1' H 1 6.22 0.017 . 1 . . . . . . . . . 4362 1
133 . 1 1 8 8 DA H2' H 1 2.62 0.023 . 1 . . . . . . . . . 4362 1
134 . 1 1 8 8 DA H2'' H 1 2.34 0.024 . 1 . . . . . . . . . 4362 1
135 . 1 1 8 8 DA H3' H 1 4.72 0.015 . 1 . . . . . . . . . 4362 1
136 . 1 1 8 8 DA H4' H 1 4.16 0.016 . 1 . . . . . . . . . 4362 1
137 . 1 1 8 8 DA H5' H 1 4.28 0.016 . 1 . . . . . . . . . 4362 1
138 . 1 1 8 8 DA H5'' H 1 4.28 0.016 . 1 . . . . . . . . . 4362 1
139 . 1 1 8 8 DA C1' C 13 84.62 0.106 . 1 . . . . . . . . . 4362 1
140 . 1 1 8 8 DA C2' C 13 42.38 0.173 . 1 . . . . . . . . . 4362 1
141 . 1 1 8 8 DA C3' C 13 72.71 0.097 . 1 . . . . . . . . . 4362 1
142 . 1 1 8 8 DA C4' C 13 87.57 0.102 . 1 . . . . . . . . . 4362 1
143 . 1 1 8 8 DA C5' C 13 67.41 0.199 . 1 . . . . . . . . . 4362 1
144 . 1 1 8 8 DA P P 31 -4.00 0.020 . 1 . . . . . . . . . 4362 1
stop_
save_