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 4361
_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 . 4361 1
2 COSY 1 $sample_1 . 4361 1
3 TOCSY 1 $sample_1 . 4361 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 7.07 0.017 . 1 . . . . . . . . . 4361 1
2 . 1 1 1 1 DT H71 H 1 0.78 0.021 . 1 . . . . . . . . . 4361 1
3 . 1 1 1 1 DT H72 H 1 0.78 0.021 . 1 . . . . . . . . . 4361 1
4 . 1 1 1 1 DT H73 H 1 0.78 0.021 . 1 . . . . . . . . . 4361 1
5 . 1 1 1 1 DT C6 C 13 139.03 0.089 . 1 . . . . . . . . . 4361 1
6 . 1 1 1 1 DT C7 C 13 13.52 0.066 . 1 . . . . . . . . . 4361 1
7 . 1 1 1 1 DT H1' H 1 5.76 0.020 . 1 . . . . . . . . . 4361 1
8 . 1 1 1 1 DT H2' H 1 1.87 0.035 . 1 . . . . . . . . . 4361 1
9 . 1 1 1 1 DT H2'' H 1 2.31 0.032 . 1 . . . . . . . . . 4361 1
10 . 1 1 1 1 DT H3' H 1 4.39 0.020 . 1 . . . . . . . . . 4361 1
11 . 1 1 1 1 DT H4' H 1 3.91 0.014 . 1 . . . . . . . . . 4361 1
12 . 1 1 1 1 DT H5' H 1 3.46 0.033 . 1 . . . . . . . . . 4361 1
13 . 1 1 1 1 DT H5'' H 1 3.46 0.033 . 1 . . . . . . . . . 4361 1
14 . 1 1 1 1 DT C1' C 13 87.38 0.094 . 1 . . . . . . . . . 4361 1
15 . 1 1 1 1 DT C2' C 13 40.05 0.351 . 1 . . . . . . . . . 4361 1
16 . 1 1 1 1 DT C3' C 13 77.31 0.104 . 1 . . . . . . . . . 4361 1
17 . 1 1 1 1 DT C4' C 13 88.25 0.081 . 1 . . . . . . . . . 4361 1
18 . 1 1 1 1 DT C5' C 13 63.16 0.124 . 1 . . . . . . . . . 4361 1
19 . 1 1 2 2 DT H6 H 1 7.22 0.023 . 1 . . . . . . . . . 4361 1
20 . 1 1 2 2 DT H71 H 1 0.72 0.025 . 1 . . . . . . . . . 4361 1
21 . 1 1 2 2 DT H72 H 1 0.72 0.025 . 1 . . . . . . . . . 4361 1
22 . 1 1 2 2 DT H73 H 1 0.72 0.025 . 1 . . . . . . . . . 4361 1
23 . 1 1 2 2 DT C6 C 13 139.13 0.110 . 1 . . . . . . . . . 4361 1
24 . 1 1 2 2 DT C7 C 13 13.52 0.066 . 1 . . . . . . . . . 4361 1
25 . 1 1 2 2 DT H1' H 1 6.31 0.023 . 1 . . . . . . . . . 4361 1
26 . 1 1 2 2 DT H2' H 1 2.53 0.026 . 1 . . . . . . . . . 4361 1
27 . 1 1 2 2 DT H2'' H 1 2.80 0.032 . 1 . . . . . . . . . 4361 1
28 . 1 1 2 2 DT H3' H 1 4.99 0.024 . 1 . . . . . . . . . 4361 1
29 . 1 1 2 2 DT H4' H 1 4.50 0.017 . 1 . . . . . . . . . 4361 1
30 . 1 1 2 2 DT H5' H 1 4.15 0.029 . 1 . . . . . . . . . 4361 1
31 . 1 1 2 2 DT H5'' H 1 4.15 0.029 . 1 . . . . . . . . . 4361 1
32 . 1 1 2 2 DT C1' C 13 86.62 0.108 . 1 . . . . . . . . . 4361 1
33 . 1 1 2 2 DT C2' C 13 40.37 0.191 . 1 . . . . . . . . . 4361 1
34 . 1 1 2 2 DT C3' C 13 77.29 0.104 . 1 . . . . . . . . . 4361 1
35 . 1 1 2 2 DT C4' C 13 86.86 0.133 . 1 . . . . . . . . . 4361 1
36 . 1 1 2 2 DT C5' C 13 68.13 0.183 . 1 . . . . . . . . . 4361 1
37 . 1 1 2 2 DT P P 31 -3.99 0.025 . 1 . . . . . . . . . 4361 1
38 . 1 1 3 3 DG H1 H 1 12.11 0.027 . 1 . . . . . . . . . 4361 1
39 . 1 1 3 3 DG H21 H 1 15.06 0.090 . 1 . . . . . . . . . 4361 1
40 . 1 1 3 3 DG H22 H 1 13.09 0.096 . 1 . . . . . . . . . 4361 1
41 . 1 1 3 3 DG H8 H 1 8.05 0.023 . 1 . . . . . . . . . 4361 1
42 . 1 1 3 3 DG C8 C 13 137.39 0.199 . 1 . . . . . . . . . 4361 1
43 . 1 1 3 3 DG H1' H 1 8.41 0.026 . 1 . . . . . . . . . 4361 1
44 . 1 1 3 3 DG H2' H 1 4.48 0.037 . 1 . . . . . . . . . 4361 1
45 . 1 1 3 3 DG H2'' H 1 4.97 0.041 . 1 . . . . . . . . . 4361 1
46 . 1 1 3 3 DG H3' H 1 5.86 0.032 . 1 . . . . . . . . . 4361 1
47 . 1 1 3 3 DG H4' H 1 5.76 0.020 . 1 . . . . . . . . . 4361 1
48 . 1 1 3 3 DG H5' H 1 5.03 0.025 . 1 . . . . . . . . . 4361 1
49 . 1 1 3 3 DG H5'' H 1 5.11 0.046 . 1 . . . . . . . . . 4361 1
50 . 1 1 3 3 DG C1' C 13 87.73 0.133 . 1 . . . . . . . . . 4361 1
51 . 1 1 3 3 DG C2' C 13 43.60 0.285 . 1 . . . . . . . . . 4361 1
52 . 1 1 3 3 DG C3' C 13 76.09 0.130 . 1 . . . . . . . . . 4361 1
53 . 1 1 3 3 DG C4' C 13 86.86 0.133 . 1 . . . . . . . . . 4361 1
54 . 1 1 3 3 DG C5' C 13 68.13 0.183 . 1 . . . . . . . . . 4361 1
55 . 1 1 3 3 DG P P 31 -2.94 0.030 . 1 . . . . . . . . . 4361 1
56 . 1 1 4 4 DG H1 H 1 -2.91 0.045 . 1 . . . . . . . . . 4361 1
57 . 1 1 4 4 DG H22 H 1 -26.86 0.325 . 1 . . . . . . . . . 4361 1
58 . 1 1 4 4 DG H21 H 1 18.44 0.073 . 1 . . . . . . . . . 4361 1
59 . 1 1 4 4 DG H8 H 1 7.54 0.026 . 1 . . . . . . . . . 4361 1
60 . 1 1 4 4 DG C8 C 13 136.27 0.192 . 1 . . . . . . . . . 4361 1
61 . 1 1 4 4 DG H1' H 1 11.89 0.033 . 1 . . . . . . . . . 4361 1
62 . 1 1 4 4 DG H2' H 1 8.23 0.063 . 1 . . . . . . . . . 4361 1
63 . 1 1 4 4 DG H2'' H 1 11.50 0.052 . 1 . . . . . . . . . 4361 1
64 . 1 1 4 4 DG H3' H 1 6.23 0.030 . 1 . . . . . . . . . 4361 1
65 . 1 1 4 4 DG H4' H 1 8.53 0.030 . 1 . . . . . . . . . 4361 1
66 . 1 1 4 4 DG H5' H 1 5.79 0.030 . 1 . . . . . . . . . 4361 1
67 . 1 1 4 4 DG H5'' H 1 6.17 0.027 . 1 . . . . . . . . . 4361 1
68 . 1 1 4 4 DG C1' C 13 91.82 0.155 . 1 . . . . . . . . . 4361 1
69 . 1 1 4 4 DG C2' C 13 49.00 0.133 . 1 . . . . . . . . . 4361 1
70 . 1 1 4 4 DG C3' C 13 77.45 0.170 . 1 . . . . . . . . . 4361 1
71 . 1 1 4 4 DG C4' C 13 90.64 0.173 . 1 . . . . . . . . . 4361 1
72 . 1 1 4 4 DG C5' C 13 71.42 0.143 . 1 . . . . . . . . . 4361 1
73 . 1 1 4 4 DG P P 31 -2.02 0.030 . 1 . . . . . . . . . 4361 1
74 . 1 1 5 5 DC H41 H 1 1.07 0.030 . 1 . . . . . . . . . 4361 1
75 . 1 1 5 5 DC H42 H 1 0.25 0.029 . 1 . . . . . . . . . 4361 1
76 . 1 1 5 5 DC H5 H 1 0.34 0.033 . 1 . . . . . . . . . 4361 1
77 . 1 1 5 5 DC H6 H 1 4.66 0.056 . 1 . . . . . . . . . 4361 1
78 . 1 1 5 5 DC C5 C 13 89.65 0.193 . 1 . . . . . . . . . 4361 1
79 . 1 1 5 5 DC C6 C 13 133.73 0.199 . 1 . . . . . . . . . 4361 1
80 . 1 1 5 5 DC H2' H 1 -29.45 0.234 . 1 . . . . . . . . . 4361 1
81 . 1 1 5 5 DC H2'' H 1 -20.82 0.500 . 1 . . . . . . . . . 4361 1
82 . 1 1 5 5 DC H3' H 1 -0.48 0.053 . 1 . . . . . . . . . 4361 1
83 . 1 1 5 5 DC H4' H 1 28.54 0.224 . 1 . . . . . . . . . 4361 1
84 . 1 1 5 5 DC H5' H 1 11.19 0.040 . 1 . . . . . . . . . 4361 1
85 . 1 1 5 5 DC H5'' H 1 15.96 0.037 . 1 . . . . . . . . . 4361 1
86 . 1 1 5 5 DC C3' C 13 69.52 0.226 . 1 . . . . . . . . . 4361 1
87 . 1 1 5 5 DC C5' C 13 71.72 0.192 . 1 . . . . . . . . . 4361 1
88 . 1 1 5 5 DC P P 31 -1.71 0.045 . 1 . . . . . . . . . 4361 1
89 . 1 1 6 6 DC H42 H 1 -0.26 0.035 . 1 . . . . . . . . . 4361 1
90 . 1 1 6 6 DC H41 H 1 3.47 0.046 . 1 . . . . . . . . . 4361 1
91 . 1 1 6 6 DC H5 H 1 -6.22 0.036 . 1 . . . . . . . . . 4361 1
92 . 1 1 6 6 DC H6 H 1 -14.72 0.088 . 1 . . . . . . . . . 4361 1
93 . 1 1 6 6 DC C5 C 13 84.55 0.189 . 1 . . . . . . . . . 4361 1
94 . 1 1 6 6 DC H2' H 1 -3.58 0.215 . 1 . . . . . . . . . 4361 1
95 . 1 1 6 6 DC H3' H 1 -7.37 0.040 . 1 . . . . . . . . . 4361 1
96 . 1 1 6 6 DC H4' H 1 -38.59 0.658 . 1 . . . . . . . . . 4361 1
97 . 1 1 6 6 DC H5' H 1 -18.35 0.067 . 1 . . . . . . . . . 4361 1
98 . 1 1 6 6 DC H5'' H 1 -41.21 0.522 . 1 . . . . . . . . . 4361 1
99 . 1 1 6 6 DC C3' C 13 66.41 0.144 . 1 . . . . . . . . . 4361 1
100 . 1 1 6 6 DC P P 31 -14.20 0.045 . 1 . . . . . . . . . 4361 1
101 . 1 1 7 7 DA H2 H 1 8.04 0.031 . 1 . . . . . . . . . 4361 1
102 . 1 1 7 7 DA H8 H 1 6.32 0.032 . 1 . . . . . . . . . 4361 1
103 . 1 1 7 7 DA C2 C 13 155.14 0.089 . 1 . . . . . . . . . 4361 1
104 . 1 1 7 7 DA C8 C 13 140.57 0.133 . 1 . . . . . . . . . 4361 1
105 . 1 1 7 7 DA H1' H 1 8.50 0.031 . 1 . . . . . . . . . 4361 1
106 . 1 1 7 7 DA H2' H 1 2.48 0.027 . 1 . . . . . . . . . 4361 1
107 . 1 1 7 7 DA H2'' H 1 3.57 0.020 . 1 . . . . . . . . . 4361 1
108 . 1 1 7 7 DA H3' H 1 5.79 0.024 . 1 . . . . . . . . . 4361 1
109 . 1 1 7 7 DA H4' H 1 9.13 0.052 . 1 . . . . . . . . . 4361 1
110 . 1 1 7 7 DA H5' H 1 5.95 0.058 . 1 . . . . . . . . . 4361 1
111 . 1 1 7 7 DA H5'' H 1 8.41 0.060 . 1 . . . . . . . . . 4361 1
112 . 1 1 7 7 DA C1' C 13 87.56 0.157 . 1 . . . . . . . . . 4361 1
113 . 1 1 7 7 DA C2' C 13 42.29 0.133 . 1 . . . . . . . . . 4361 1
114 . 1 1 7 7 DA C3' C 13 83.26 0.100 . 1 . . . . . . . . . 4361 1
115 . 1 1 7 7 DA C4' C 13 91.33 0.273 . 1 . . . . . . . . . 4361 1
116 . 1 1 7 7 DA C5' C 13 70.96 0.199 . 1 . . . . . . . . . 4361 1
117 . 1 1 7 7 DA P P 31 -8.80 0.045 . 1 . . . . . . . . . 4361 1
118 . 1 1 8 8 DA H2 H 1 7.72 0.016 . 1 . . . . . . . . . 4361 1
119 . 1 1 8 8 DA H8 H 1 8.20 0.024 . 1 . . . . . . . . . 4361 1
120 . 1 1 8 8 DA C2 C 13 154.83 0.085 . 1 . . . . . . . . . 4361 1
121 . 1 1 8 8 DA C8 C 13 141.86 0.127 . 1 . . . . . . . . . 4361 1
122 . 1 1 8 8 DA H1' H 1 6.95 0.024 . 1 . . . . . . . . . 4361 1
123 . 1 1 8 8 DA H2' H 1 2.79 0.029 . 1 . . . . . . . . . 4361 1
124 . 1 1 8 8 DA H2'' H 1 3.04 0.034 . 1 . . . . . . . . . 4361 1
125 . 1 1 8 8 DA H3' H 1 5.48 0.016 . 1 . . . . . . . . . 4361 1
126 . 1 1 8 8 DA H4' H 1 5.60 0.018 . 1 . . . . . . . . . 4361 1
127 . 1 1 8 8 DA H5' H 1 5.77 0.033 . 1 . . . . . . . . . 4361 1
128 . 1 1 8 8 DA H5'' H 1 6.40 0.032 . 1 . . . . . . . . . 4361 1
129 . 1 1 8 8 DA C1' C 13 85.30 0.188 . 1 . . . . . . . . . 4361 1
130 . 1 1 8 8 DA C2' C 13 42.83 0.186 . 1 . . . . . . . . . 4361 1
131 . 1 1 8 8 DA C3' C 13 73.49 0.080 . 1 . . . . . . . . . 4361 1
132 . 1 1 8 8 DA C4' C 13 88.78 0.097 . 1 . . . . . . . . . 4361 1
133 . 1 1 8 8 DA C5' C 13 68.93 0.199 . 1 . . . . . . . . . 4361 1
134 . 1 1 8 8 DA P P 31 -2.62 0.030 . 1 . . . . . . . . . 4361 1
stop_
save_