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 25669
_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 $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 DQF-COSY' . . . 25669 1
2 '2D 1H-1H TOCSY' . . . 25669 1
3 '2D 1H-1H NOESY' . . . 25669 1
4 '2D 1H-13C HSQC aliphatic' . . . 25669 1
5 '2D 1H-13C HSQC aromatic' . . . 25669 1
6 '2D 1H-13C HMBC aromatic' . . . 25669 1
7 '2D 1H-1H NOESY' . . . 25669 1
8 '2D 1H-31P COSY' . . . 25669 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
3 $CARA . . 25669 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 8XG C1' C 13 92.397 0.3 . 1 . . . A 1 8XG C1' . 25669 1
2 . 1 1 1 1 8XG C2' C 13 79.271 0.3 . 1 . . . A 1 8XG C2' . 25669 1
3 . 1 1 1 1 8XG C3' C 13 79.855 0.3 . 1 . . . A 1 8XG C3' . 25669 1
4 . 1 1 1 1 8XG C4 C 13 152.073 0.3 . 1 . . . A 1 8XG C4 . 25669 1
5 . 1 1 1 1 8XG C4' C 13 85.605 0.3 . 1 . . . A 1 8XG C4' . 25669 1
6 . 1 1 1 1 8XG C5 C 13 117.46 0.3 . 1 . . . A 1 8XG C5 . 25669 1
7 . 1 1 1 1 8XG C5' C 13 60.987 0.3 . 1 . . . A 1 8XG C5' . 25669 1
8 . 1 1 1 1 8XG C8 C 13 138.2 0.3 . 1 . . . A 1 8XG C8 . 25669 1
9 . 1 1 1 1 8XG H1 H 1 13.368 0.02 . 1 . . . A 1 8XG H1 . 25669 1
10 . 1 1 1 1 8XG H1' H 1 6.023 0.02 . 1 . . . A 1 8XG H1' . 25669 1
11 . 1 1 1 1 8XG H2' H 1 4.623 0.02 . 1 . . . A 1 8XG H2' . 25669 1
12 . 1 1 1 1 8XG H3' H 1 4.69 0.02 . 1 . . . A 1 8XG H3' . 25669 1
13 . 1 1 1 1 8XG H4' H 1 4.685 0.02 . 1 . . . A 1 8XG H4' . 25669 1
14 . 1 1 1 1 8XG H5' H 1 4.12 0.02 . 1 . . . A 1 8XG H5' . 25669 1
15 . 1 1 1 1 8XG H5'' H 1 4.114 0.02 . 1 . . . A 1 8XG H5'' . 25669 1
16 . 1 1 1 1 8XG H8 H 1 7.944 0.02 . 1 . . . A 1 8XG H8 . 25669 1
17 . 1 1 2 2 8XU C1' C 13 93.449 0.3 . 1 . . . A 2 8XU C1' . 25669 1
18 . 1 1 2 2 8XU C2 C 13 152.146 0.3 . 1 . . . A 2 8XU C2 . 25669 1
19 . 1 1 2 2 8XU C2' C 13 78.612 0.3 . 1 . . . A 2 8XU C2' . 25669 1
20 . 1 1 2 2 8XU C3' C 13 79.161 0.3 . 1 . . . A 2 8XU C3' . 25669 1
21 . 1 1 2 2 8XU C4 C 13 169.208 0.3 . 1 . . . A 2 8XU C4 . 25669 1
22 . 1 1 2 2 8XU C4' C 13 83.537 0.3 . 1 . . . A 2 8XU C4' . 25669 1
23 . 1 1 2 2 8XU C5 C 13 102.116 0.3 . 1 . . . A 2 8XU C5 . 25669 1
24 . 1 1 2 2 8XU C5' C 13 62.107 0.3 . 1 . . . A 2 8XU C5' . 25669 1
25 . 1 1 2 2 8XU C6 C 13 142.774 0.3 . 1 . . . A 2 8XU C6 . 25669 1
26 . 1 1 2 2 8XU H1' H 1 5.825 0.02 . 1 . . . A 2 8XU H1' . 25669 1
27 . 1 1 2 2 8XU H2' H 1 4.654 0.02 . 1 . . . A 2 8XU H2' . 25669 1
28 . 1 1 2 2 8XU H3 H 1 14.011 0.02 . 1 . . . A 2 8XU H3 . 25669 1
29 . 1 1 2 2 8XU H3' H 1 4.539 0.02 . 1 . . . A 2 8XU H3' . 25669 1
30 . 1 1 2 2 8XU H4' H 1 4.332 0.02 . 1 . . . A 2 8XU H4' . 25669 1
31 . 1 1 2 2 8XU H5 H 1 5.866 0.02 . 1 . . . A 2 8XU H5 . 25669 1
32 . 1 1 2 2 8XU H5' H 1 4.021 0.02 . 1 . . . A 2 8XU H5' . 25669 1
33 . 1 1 2 2 8XU H5'' H 1 2.94 0.02 . 1 . . . A 2 8XU H5'' . 25669 1
34 . 1 1 2 2 8XU H6 H 1 7.523 0.02 . 1 . . . A 2 8XU H6 . 25669 1
35 . 1 1 2 2 8XU P P 31 -0.705 0.03 . 1 . . . A 2 8XU P . 25669 1
36 . 1 1 3 3 8XG C1' C 13 92.51 0.3 . 1 . . . A 3 8XG C1' . 25669 1
37 . 1 1 3 3 8XG C2' C 13 79.182 0.3 . 1 . . . A 3 8XG C2' . 25669 1
38 . 1 1 3 3 8XG C3' C 13 79.385 0.3 . 1 . . . A 3 8XG C3' . 25669 1
39 . 1 1 3 3 8XG C4 C 13 150.645 0.3 . 1 . . . A 3 8XG C4 . 25669 1
40 . 1 1 3 3 8XG C4' C 13 85.246 0.3 . 1 . . . A 3 8XG C4' . 25669 1
41 . 1 1 3 3 8XG C5 C 13 116.961 0.3 . 1 . . . A 3 8XG C5 . 25669 1
42 . 1 1 3 3 8XG C5' C 13 64.378 0.3 . 1 . . . A 3 8XG C5' . 25669 1
43 . 1 1 3 3 8XG C8 C 13 137.351 0.3 . 1 . . . A 3 8XG C8 . 25669 1
44 . 1 1 3 3 8XG H1 H 1 13.128 0.02 . 1 . . . A 3 8XG H1 . 25669 1
45 . 1 1 3 3 8XG H1' H 1 5.713 0.02 . 1 . . . A 3 8XG H1' . 25669 1
46 . 1 1 3 3 8XG H2' H 1 4.277 0.02 . 1 . . . A 3 8XG H2' . 25669 1
47 . 1 1 3 3 8XG H21 H 1 8.802 0.02 . 1 . . . A 3 8XG H21 . 25669 1
48 . 1 1 3 3 8XG H22 H 1 8.812 0.02 . 1 . . . A 3 8XG H22 . 25669 1
49 . 1 1 3 3 8XG H3' H 1 4.583 0.02 . 1 . . . A 3 8XG H3' . 25669 1
50 . 1 1 3 3 8XG H4' H 1 4.621 0.02 . 1 . . . A 3 8XG H4' . 25669 1
51 . 1 1 3 3 8XG H5' H 1 4.269 0.02 . 1 . . . A 3 8XG H5' . 25669 1
52 . 1 1 3 3 8XG H5'' H 1 4.01 0.02 . 1 . . . A 3 8XG H5'' . 25669 1
53 . 1 1 3 3 8XG H8 H 1 7.623 0.02 . 1 . . . A 3 8XG H8 . 25669 1
54 . 1 1 3 3 8XG P P 31 0.23 0.03 . 1 . . . A 3 8XG P . 25669 1
55 . 1 1 4 4 8XU C1' C 13 93.336 0.3 . 1 . . . A 4 8XU C1' . 25669 1
56 . 1 1 4 4 8XU C2 C 13 151.887 0.3 . 1 . . . A 4 8XU C2 . 25669 1
57 . 1 1 4 4 8XU C2' C 13 79.258 0.3 . 1 . . . A 4 8XU C2' . 25669 1
58 . 1 1 4 4 8XU C3' C 13 78.562 0.3 . 1 . . . A 4 8XU C3' . 25669 1
59 . 1 1 4 4 8XU C4 C 13 169.24 0.3 . 1 . . . A 4 8XU C4 . 25669 1
60 . 1 1 4 4 8XU C4' C 13 83.073 0.3 . 1 . . . A 4 8XU C4' . 25669 1
61 . 1 1 4 4 8XU C5 C 13 101.921 0.3 . 1 . . . A 4 8XU C5 . 25669 1
62 . 1 1 4 4 8XU C5' C 13 60.763 0.3 . 1 . . . A 4 8XU C5' . 25669 1
63 . 1 1 4 4 8XU C6 C 13 142.602 0.3 . 1 . . . A 4 8XU C6 . 25669 1
64 . 1 1 4 4 8XU H1' H 1 5.568 0.02 . 1 . . . A 4 8XU H1' . 25669 1
65 . 1 1 4 4 8XU H2' H 1 4.633 0.02 . 1 . . . A 4 8XU H2' . 25669 1
66 . 1 1 4 4 8XU H3 H 1 14.163 0.02 . 1 . . . A 4 8XU H3 . 25669 1
67 . 1 1 4 4 8XU H3' H 1 4.442 0.02 . 1 . . . A 4 8XU H3' . 25669 1
68 . 1 1 4 4 8XU H4' H 1 4.136 0.02 . 1 . . . A 4 8XU H4' . 25669 1
69 . 1 1 4 4 8XU H5 H 1 5.795 0.02 . 1 . . . A 4 8XU H5 . 25669 1
70 . 1 1 4 4 8XU H5' H 1 3.763 0.02 . 1 . . . A 4 8XU H5' . 25669 1
71 . 1 1 4 4 8XU H5'' H 1 2.276 0.02 . 1 . . . A 4 8XU H5'' . 25669 1
72 . 1 1 4 4 8XU H6 H 1 7.277 0.02 . 1 . . . A 4 8XU H6 . 25669 1
73 . 1 1 4 4 8XU P P 31 -1.332 0.03 . 1 . . . A 4 8XU P . 25669 1
74 . 1 1 5 5 8XA C1' C 13 92.753 0.3 . 1 . . . A 5 8XA C1' . 25669 1
75 . 1 1 5 5 8XA C2 C 13 151.619 0.3 . 1 . . . A 5 8XA C2 . 25669 1
76 . 1 1 5 5 8XA C2' C 13 79.179 0.3 . 1 . . . A 5 8XA C2' . 25669 1
77 . 1 1 5 5 8XA C3' C 13 79.624 0.3 . 1 . . . A 5 8XA C3' . 25669 1
78 . 1 1 5 5 8XA C4 C 13 147.55 0.3 . 1 . . . A 5 8XA C4 . 25669 1
79 . 1 1 5 5 8XA C4' C 13 85.26 0.3 . 1 . . . A 5 8XA C4' . 25669 1
80 . 1 1 5 5 8XA C5 C 13 119.665 0.3 . 1 . . . A 5 8XA C5 . 25669 1
81 . 1 1 5 5 8XA C5' C 13 64.415 0.3 . 1 . . . A 5 8XA C5' . 25669 1
82 . 1 1 5 5 8XA C6 C 13 156.247 0.3 . 1 . . . A 5 8XA C6 . 25669 1
83 . 1 1 5 5 8XA C8 C 13 139.987 0.3 . 1 . . . A 5 8XA C8 . 25669 1
84 . 1 1 5 5 8XA H1' H 1 5.953 0.02 . 1 . . . A 5 8XA H1' . 25669 1
85 . 1 1 5 5 8XA H2 H 1 7.953 0.02 . 1 . . . A 5 8XA H2 . 25669 1
86 . 1 1 5 5 8XA H2' H 1 4.358 0.02 . 1 . . . A 5 8XA H2' . 25669 1
87 . 1 1 5 5 8XA H3' H 1 4.591 0.02 . 1 . . . A 5 8XA H3' . 25669 1
88 . 1 1 5 5 8XA H4' H 1 4.668 0.02 . 1 . . . A 5 8XA H4' . 25669 1
89 . 1 1 5 5 8XA H5' H 1 4.249 0.02 . 1 . . . A 5 8XA H5' . 25669 1
90 . 1 1 5 5 8XA H5'' H 1 4.025 0.02 . 1 . . . A 5 8XA H5'' . 25669 1
91 . 1 1 5 5 8XA H61 H 1 7.684 0.02 . 1 . . . A 5 8XA H61 . 25669 1
92 . 1 1 5 5 8XA H62 H 1 6.71 0.02 . 1 . . . A 5 8XA H62 . 25669 1
93 . 1 1 5 5 8XA H8 H 1 7.972 0.02 . 1 . . . A 5 8XA H8 . 25669 1
94 . 1 1 5 5 8XA P P 31 0.497 0.03 . 1 . . . A 5 8XA P . 25669 1
95 . 1 1 6 6 8XC C1' C 13 93.449 0.3 . 1 . . . A 6 8XC C1' . 25669 1
96 . 1 1 6 6 8XC C2 C 13 158.232 0.3 . 1 . . . A 6 8XC C2 . 25669 1
97 . 1 1 6 6 8XC C2' C 13 78.921 0.3 . 1 . . . A 6 8XC C2' . 25669 1
98 . 1 1 6 6 8XC C3' C 13 78.562 0.3 . 1 . . . A 6 8XC C3' . 25669 1
99 . 1 1 6 6 8XC C4 C 13 167.597 0.3 . 1 . . . A 6 8XC C4 . 25669 1
100 . 1 1 6 6 8XC C4' C 13 82.721 0.3 . 1 . . . A 6 8XC C4' . 25669 1
101 . 1 1 6 6 8XC C5 C 13 96.106 0.3 . 1 . . . A 6 8XC C5 . 25669 1
102 . 1 1 6 6 8XC C5' C 13 61.212 0.3 . 1 . . . A 6 8XC C5' . 25669 1
103 . 1 1 6 6 8XC C6 C 13 142.248 0.3 . 1 . . . A 6 8XC C6 . 25669 1
104 . 1 1 6 6 8XC H1' H 1 5.224 0.02 . 1 . . . A 6 8XC H1' . 25669 1
105 . 1 1 6 6 8XC H2' H 1 4.466 0.02 . 1 . . . A 6 8XC H2' . 25669 1
106 . 1 1 6 6 8XC H3' H 1 4.323 0.02 . 1 . . . A 6 8XC H3' . 25669 1
107 . 1 1 6 6 8XC H4' H 1 3.907 0.02 . 1 . . . A 6 8XC H4' . 25669 1
108 . 1 1 6 6 8XC H41 H 1 8.302 0.02 . 1 . . . A 6 8XC H41 . 25669 1
109 . 1 1 6 6 8XC H42 H 1 7.103 0.02 . 1 . . . A 6 8XC H42 . 25669 1
110 . 1 1 6 6 8XC H5 H 1 5.881 0.02 . 1 . . . A 6 8XC H5 . 25669 1
111 . 1 1 6 6 8XC H5' H 1 3.65 0.02 . 1 . . . A 6 8XC H5' . 25669 1
112 . 1 1 6 6 8XC H5'' H 1 2.135 0.02 . 1 . . . A 6 8XC H5'' . 25669 1
113 . 1 1 6 6 8XC H6 H 1 7.107 0.02 . 1 . . . A 6 8XC H6 . 25669 1
114 . 1 1 6 6 8XC P P 31 -1.094 0.03 . 1 . . . A 6 8XC P . 25669 1
115 . 1 1 7 7 8XA C1' C 13 92.874 0.3 . 1 . . . A 7 8XA C1' . 25669 1
116 . 1 1 7 7 8XA C2 C 13 151.779 0.3 . 1 . . . A 7 8XA C2 . 25669 1
117 . 1 1 7 7 8XA C2' C 13 79.181 0.3 . 1 . . . A 7 8XA C2' . 25669 1
118 . 1 1 7 7 8XA C3' C 13 79.621 0.3 . 1 . . . A 7 8XA C3' . 25669 1
119 . 1 1 7 7 8XA C4 C 13 147.899 0.3 . 1 . . . A 7 8XA C4 . 25669 1
120 . 1 1 7 7 8XA C4' C 13 84.78 0.3 . 1 . . . A 7 8XA C4' . 25669 1
121 . 1 1 7 7 8XA C5 C 13 119.761 0.3 . 1 . . . A 7 8XA C5 . 25669 1
122 . 1 1 7 7 8XA C5' C 13 64.032 0.3 . 1 . . . A 7 8XA C5' . 25669 1
123 . 1 1 7 7 8XA C6 C 13 156.477 0.3 . 1 . . . A 7 8XA C6 . 25669 1
124 . 1 1 7 7 8XA C8 C 13 140.217 0.3 . 1 . . . A 7 8XA C8 . 25669 1
125 . 1 1 7 7 8XA H1' H 1 6.12 0.02 . 1 . . . A 7 8XA H1' . 25669 1
126 . 1 1 7 7 8XA H2 H 1 8.079 0.02 . 1 . . . A 7 8XA H2 . 25669 1
127 . 1 1 7 7 8XA H2' H 1 4.581 0.02 . 1 . . . A 7 8XA H2' . 25669 1
128 . 1 1 7 7 8XA H3' H 1 4.559 0.02 . 1 . . . A 7 8XA H3' . 25669 1
129 . 1 1 7 7 8XA H4' H 1 4.587 0.02 . 1 . . . A 7 8XA H4' . 25669 1
130 . 1 1 7 7 8XA H5' H 1 4.191 0.02 . 1 . . . A 7 8XA H5' . 25669 1
131 . 1 1 7 7 8XA H5'' H 1 3.807 0.02 . 1 . . . A 7 8XA H5'' . 25669 1
132 . 1 1 7 7 8XA H8 H 1 7.924 0.02 . 1 . . . A 7 8XA H8 . 25669 1
133 . 1 1 7 7 8XA P P 31 0.039 0.03 . 1 . . . A 7 8XA P . 25669 1
134 . 1 1 8 8 8XC C1' C 13 93.798 0.3 . 1 . . . A 8 8XC C1' . 25669 1
135 . 1 1 8 8 8XC C2 C 13 158.64 0.3 . 1 . . . A 8 8XC C2 . 25669 1
136 . 1 1 8 8 8XC C2' C 13 80.759 0.3 . 1 . . . A 8 8XC C2' . 25669 1
137 . 1 1 8 8 8XC C3' C 13 77.043 0.3 . 1 . . . A 8 8XC C3' . 25669 1
138 . 1 1 8 8 8XC C4 C 13 167.871 0.3 . 1 . . . A 8 8XC C4 . 25669 1
139 . 1 1 8 8 8XC C4' C 13 84.213 0.3 . 1 . . . A 8 8XC C4' . 25669 1
140 . 1 1 8 8 8XC C5 C 13 96.139 0.3 . 1 . . . A 8 8XC C5 . 25669 1
141 . 1 1 8 8 8XC C5' C 13 63.561 0.3 . 1 . . . A 8 8XC C5' . 25669 1
142 . 1 1 8 8 8XC C6 C 13 142.575 0.3 . 1 . . . A 8 8XC C6 . 25669 1
143 . 1 1 8 8 8XC H1' H 1 5.239 0.02 . 1 . . . A 8 8XC H1' . 25669 1
144 . 1 1 8 8 8XC H2' H 1 4.273 0.02 . 1 . . . A 8 8XC H2' . 25669 1
145 . 1 1 8 8 8XC H3' H 1 4.193 0.02 . 1 . . . A 8 8XC H3' . 25669 1
146 . 1 1 8 8 8XC H4' H 1 4.087 0.02 . 1 . . . A 8 8XC H4' . 25669 1
147 . 1 1 8 8 8XC H41 H 1 8.15 0.02 . 1 . . . A 8 8XC H41 . 25669 1
148 . 1 1 8 8 8XC H42 H 1 7.035 0.02 . 1 . . . A 8 8XC H42 . 25669 1
149 . 1 1 8 8 8XC H5 H 1 5.776 0.02 . 1 . . . A 8 8XC H5 . 25669 1
150 . 1 1 8 8 8XC H5' H 1 3.86 0.02 . 1 . . . A 8 8XC H5' . 25669 1
151 . 1 1 8 8 8XC H5'' H 1 2.904 0.02 . 1 . . . A 8 8XC H5'' . 25669 1
152 . 1 1 8 8 8XC H6 H 1 7.069 0.02 . 1 . . . A 8 8XC H6 . 25669 1
153 . 1 1 8 8 8XC P P 31 -0.317 0.03 . 1 . . . A 8 8XC P . 25669 1
stop_
save_