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 34623
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 1H-1H NOESY' . . . 34623 1
2 '2D DQF-COSY' . . . 34623 1
3 '2D 1H-1H TOCSY' . . . 34623 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 DC H2' H 1 1.991 0.004 . . . . . . A 1 DC H2' . 34623 1
2 . 1 . 1 1 1 DC H2'' H 1 2.429 0.004 . . . . . . A 1 DC H2'' . 34623 1
3 . 1 . 1 1 1 DC H3' H 1 4.713 0.003 . . . . . . A 1 DC H3' . 34623 1
4 . 1 . 1 1 1 DC H4' H 1 4.074 0.003 . . . . . . A 1 DC H4' . 34623 1
5 . 1 . 1 1 1 DC H5 H 1 5.916 0.003 . . . . . . A 1 DC H5 . 34623 1
6 . 1 . 1 1 1 DC H6 H 1 7.644 0.003 . . . . . . A 1 DC H6 . 34623 1
7 . 1 . 1 1 1 DC H41 H 1 7.167 0.014 . . . . . . A 1 DC H41 . 34623 1
8 . 1 . 1 1 1 DC H42 H 1 8.201 0.009 . . . . . . A 1 DC H42 . 34623 1
9 . 1 . 1 2 2 DG H1 H 1 13.09 0.083 . . . . . . A 2 DG H1 . 34623 1
10 . 1 . 1 2 2 DG H1' H 1 5.918 0.004 . . . . . . A 2 DG H1' . 34623 1
11 . 1 . 1 2 2 DG H2' H 1 2.687 0.006 . . . . . . A 2 DG H2' . 34623 1
12 . 1 . 1 2 2 DG H2'' H 1 2.760 0.007 . . . . . . A 2 DG H2'' . 34623 1
13 . 1 . 1 2 2 DG H3' H 1 4.985 0.003 . . . . . . A 2 DG H3' . 34623 1
14 . 1 . 1 2 2 DG H4' H 1 4.371 0.127 . . . . . . A 2 DG H4' . 34623 1
15 . 1 . 1 2 2 DG H5' H 1 4.099 0.000 . . . . . . A 2 DG H5' . 34623 1
16 . 1 . 1 2 2 DG H5'' H 1 4.026 0.052 . . . . . . A 2 DG H5'' . 34623 1
17 . 1 . 1 2 2 DG H8 H 1 7.968 0.003 . . . . . . A 2 DG H8 . 34623 1
18 . 1 . 1 3 3 DC H1' H 1 5.714 0.003 . . . . . . A 3 DC H1' . 34623 1
19 . 1 . 1 3 3 DC H2' H 1 2.101 0.002 . . . . . . A 3 DC H2' . 34623 1
20 . 1 . 1 3 3 DC H2'' H 1 2.440 0.002 . . . . . . A 3 DC H2'' . 34623 1
21 . 1 . 1 3 3 DC H3' H 1 4.861 0.001 . . . . . . A 3 DC H3' . 34623 1
22 . 1 . 1 3 3 DC H4' H 1 4.208 0.002 . . . . . . A 3 DC H4' . 34623 1
23 . 1 . 1 3 3 DC H5 H 1 5.395 0.005 . . . . . . A 3 DC H5 . 34623 1
24 . 1 . 1 3 3 DC H5' H 1 4.144 0.008 . . . . . . A 3 DC H5' . 34623 1
25 . 1 . 1 3 3 DC H5'' H 1 4.082 0.004 . . . . . . A 3 DC H5'' . 34623 1
26 . 1 . 1 3 3 DC H6 H 1 7.354 0.003 . . . . . . A 3 DC H6 . 34623 1
27 . 1 . 1 3 3 DC H41 H 1 6.548 0.004 . . . . . . A 3 DC H41 . 34623 1
28 . 1 . 1 3 3 DC H42 H 1 8.366 0.004 . . . . . . A 3 DC H42 . 34623 1
29 . 1 . 1 4 4 DG H1 H 1 12.90 0.003 . . . . . . A 4 DG H1 . 34623 1
30 . 1 . 1 4 4 DG H1' H 1 5.989 0.003 . . . . . . A 4 DG H1' . 34623 1
31 . 1 . 1 4 4 DG H2' H 1 2.656 0.009 . . . . . . A 4 DG H2' . 34623 1
32 . 1 . 1 4 4 DG H2'' H 1 2.793 0.004 . . . . . . A 4 DG H2'' . 34623 1
33 . 1 . 1 4 4 DG H3' H 1 4.985 0.004 . . . . . . A 4 DG H3' . 34623 1
34 . 1 . 1 4 4 DG H4' H 1 4.391 0.001 . . . . . . A 4 DG H4' . 34623 1
35 . 1 . 1 4 4 DG H5' H 1 4.204 0.003 . . . . . . A 4 DG H5' . 34623 1
36 . 1 . 1 4 4 DG H5'' H 1 4.078 0.003 . . . . . . A 4 DG H5'' . 34623 1
37 . 1 . 1 4 4 DG H8 H 1 7.918 0.002 . . . . . . A 4 DG H8 . 34623 1
38 . 1 . 1 5 5 DT H1' H 1 5.999 0.006 . . . . . . A 5 DT H1' . 34623 1
39 . 1 . 1 5 5 DT H2' H 1 1.927 0.004 . . . . . . A 5 DT H2' . 34623 1
40 . 1 . 1 5 5 DT H2'' H 1 2.458 0.004 . . . . . . A 5 DT H2'' . 34623 1
41 . 1 . 1 5 5 DT H3 H 1 13.83 0.003 . . . . . . A 5 DT H3 . 34623 1
42 . 1 . 1 5 5 DT H3' H 1 4.846 0.003 . . . . . . A 5 DT H3' . 34623 1
43 . 1 . 1 5 5 DT H4' H 1 4.223 0.006 . . . . . . A 5 DT H4' . 34623 1
44 . 1 . 1 5 5 DT H6 H 1 7.184 0.003 . . . . . . A 5 DT H6 . 34623 1
45 . 1 . 1 5 5 DT H71 H 1 1.447 0.123 . . . . . . A 5 DT M7 . 34623 1
46 . 1 . 1 5 5 DT H72 H 1 1.447 0.123 . . . . . . A 5 DT M7 . 34623 1
47 . 1 . 1 5 5 DT H73 H 1 1.447 0.123 . . . . . . A 5 DT M7 . 34623 1
48 . 1 . 1 6 6 5HC H1' H 1 5.473 0.011 . . . . . . A 6 5HC H1' . 34623 1
49 . 1 . 1 6 6 5HC H2' H 1 2.014 0.002 . . . . . . A 6 5HC H2' . 34623 1
50 . 1 . 1 6 6 5HC H2'' H 1 2.334 0.006 . . . . . . A 6 5HC H2'' . 34623 1
51 . 1 . 1 6 6 5HC H3' H 1 4.824 0.011 . . . . . . A 6 5HC H3' . 34623 1
52 . 1 . 1 6 6 5HC H5M1 H 1 4.224 0.001 . . . . . . A 6 5HC H5M1 . 34623 1
53 . 1 . 1 6 6 5HC H5M2 H 1 4.075 0.015 . . . . . . A 6 5HC H5M2 . 34623 1
54 . 1 . 1 6 6 5HC H6 H 1 7.449 0.004 . . . . . . A 6 5HC H6 . 34623 1
55 . 1 . 1 6 6 5HC HN41 H 1 6.607 0.003 . . . . . . A 6 5HC HN41 . 34623 1
56 . 1 . 1 6 6 5HC HN42 H 1 8.817 0.007 . . . . . . A 6 5HC HN42 . 34623 1
57 . 1 . 1 7 7 DG H1 H 1 12.688 0.009 . . . . . . A 7 DG H1 . 34623 1
58 . 1 . 1 7 7 DG H1' H 1 5.501 0.003 . . . . . . A 7 DG H1' . 34623 1
59 . 1 . 1 7 7 DG H2' H 1 2.774 0.002 . . . . . . A 7 DG H2' . 34623 1
60 . 1 . 1 7 7 DG H2'' H 1 2.688 0.007 . . . . . . A 7 DG H2'' . 34623 1
61 . 1 . 1 7 7 DG H3' H 1 5.005 0.003 . . . . . . A 7 DG H3' . 34623 1
62 . 1 . 1 7 7 DG H4' H 1 4.338 0.007 . . . . . . A 7 DG H4' . 34623 1
63 . 1 . 1 7 7 DG H8 H 1 7.925 0.005 . . . . . . A 7 DG H8 . 34623 1
64 . 1 . 1 8 8 DA H1' H 1 6.181 0.004 . . . . . . A 8 DA H1' . 34623 1
65 . 1 . 1 8 8 DA H2 H 1 7.804 0.000 . . . . . . A 8 DA H2 . 34623 1
66 . 1 . 1 8 8 DA H2' H 1 2.657 0.004 . . . . . . A 8 DA H2' . 34623 1
67 . 1 . 1 8 8 DA H2'' H 1 2.882 0.004 . . . . . . A 8 DA H2'' . 34623 1
68 . 1 . 1 8 8 DA H3' H 1 5.032 0.004 . . . . . . A 8 DA H3' . 34623 1
69 . 1 . 1 8 8 DA H4' H 1 4.448 0.003 . . . . . . A 8 DA H4' . 34623 1
70 . 1 . 1 8 8 DA H5' H 1 4.207 0.010 . . . . . . A 8 DA H5' . 34623 1
71 . 1 . 1 8 8 DA H5'' H 1 4.137 0.013 . . . . . . A 8 DA H5'' . 34623 1
72 . 1 . 1 8 8 DA H8 H 1 8.181 0.002 . . . . . . A 8 DA H8 . 34623 1
73 . 1 . 1 9 9 DC H1' H 1 5.546 0.009 . . . . . . A 9 DC H1' . 34623 1
74 . 1 . 1 9 9 DC H2' H 1 1.907 0.011 . . . . . . A 9 DC H2' . 34623 1
75 . 1 . 1 9 9 DC H2'' H 1 2.294 0.009 . . . . . . A 9 DC H2'' . 34623 1
76 . 1 . 1 9 9 DC H3' H 1 4.826 0.013 . . . . . . A 9 DC H3' . 34623 1
77 . 1 . 1 9 9 DC H5 H 1 5.214 0.003 . . . . . . A 9 DC H5 . 34623 1
78 . 1 . 1 9 9 DC H6 H 1 7.184 0.002 . . . . . . A 9 DC H6 . 34623 1
79 . 1 . 1 9 9 DC H41 H 1 6.592 0.005 . . . . . . A 9 DC H41 . 34623 1
80 . 1 . 1 9 9 DC H42 H 1 8.176 0.006 . . . . . . A 9 DC H42 . 34623 1
81 . 1 . 1 10 10 DG H1 H 1 12.96 0.001 . . . . . . A 10 DG H1 . 34623 1
82 . 1 . 1 10 10 DG H1' H 1 5.842 0.004 . . . . . . A 10 DG H1' . 34623 1
83 . 1 . 1 10 10 DG H2' H 1 2.604 0.032 . . . . . . A 10 DG H2' . 34623 1
84 . 1 . 1 10 10 DG H2'' H 1 2.686 0.004 . . . . . . A 10 DG H2'' . 34623 1
85 . 1 . 1 10 10 DG H3' H 1 4.953 0.003 . . . . . . A 10 DG H3' . 34623 1
86 . 1 . 1 10 10 DG H4' H 1 4.333 0.003 . . . . . . A 10 DG H4' . 34623 1
87 . 1 . 1 10 10 DG H5' H 1 4.110 0.032 . . . . . . A 10 DG H5' . 34623 1
88 . 1 . 1 10 10 DG H5'' H 1 4.017 0.038 . . . . . . A 10 DG H5'' . 34623 1
89 . 1 . 1 10 10 DG H8 H 1 7.842 0.003 . . . . . . A 10 DG H8 . 34623 1
90 . 1 . 1 11 11 DC H1' H 1 5.743 0.015 . . . . . . A 11 DC H1' . 34623 1
91 . 1 . 1 11 11 DC H2' H 1 1.910 0.013 . . . . . . A 11 DC H2' . 34623 1
92 . 1 . 1 11 11 DC H2'' H 1 2.337 0.006 . . . . . . A 11 DC H2'' . 34623 1
93 . 1 . 1 11 11 DC H3' H 1 4.964 0.056 . . . . . . A 11 DC H3' . 34623 1
94 . 1 . 1 11 11 DC H4' H 1 4.135 0.037 . . . . . . A 11 DC H4' . 34623 1
95 . 1 . 1 11 11 DC H5 H 1 5.420 0.006 . . . . . . A 11 DC H5 . 34623 1
96 . 1 . 1 11 11 DC H6 H 1 7.314 0.004 . . . . . . A 11 DC H6 . 34623 1
97 . 1 . 1 11 11 DC H41 H 1 6.702 0.008 . . . . . . A 11 DC H41 . 34623 1
98 . 1 . 1 11 11 DC H42 H 1 8.493 0.004 . . . . . . A 11 DC H42 . 34623 1
99 . 1 . 1 12 12 DG H1 H 1 13.11 0.000 . . . . . . A 12 DG H1 . 34623 1
100 . 1 . 1 12 12 DG H1' H 1 6.161 0.004 . . . . . . A 12 DG H1' . 34623 1
101 . 1 . 1 12 12 DG H2' H 1 2.567 0.092 . . . . . . A 12 DG H2' . 34623 1
102 . 1 . 1 12 12 DG H2'' H 1 2.320 0.104 . . . . . . A 12 DG H2'' . 34623 1
103 . 1 . 1 12 12 DG H3' H 1 4.674 0.005 . . . . . . A 12 DG H3' . 34623 1
104 . 1 . 1 12 12 DG H4' H 1 4.075 0.005 . . . . . . A 12 DG H4' . 34623 1
105 . 1 . 1 12 12 DG H8 H 1 7.935 0.005 . . . . . . A 12 DG H8 . 34623 1
stop_
save_