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 30336
_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 100MS' . . . 30336 1
2 '2D 1H-1H NOESY 100MS' . . . 30336 1
3 '2D 1H-1H NOESY 50MS' . . . 30336 1
4 '2D 1H-1H NOESY 50MS' . . . 30336 1
5 '2D 1H-1H NOESY 300MS' . . . 30336 1
6 '2D 1H-1H TOCSY' . . . 30336 1
7 '2D 1H-1H NOESY 150MS' . . . 30336 1
8 '1D 31P' . . . 30336 1
9 '1H, 31P-correlated 2D' . . . 30336 1
10 '2D 1H-1H ROESY' . . . 30336 1
11 '2D 1H-13C HSQC' . . . 30336 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 H1' H 1 5.948 0.005 12 1 . . . . A 1 DC H1' . 30336 1
2 . 1 . 1 1 1 DC H2' H 1 1.939 0.006 10 2 . . . . A 1 DC H2' . 30336 1
3 . 1 . 1 1 1 DC H2'' H 1 2.451 0.008 10 2 . . . . A 1 DC H2'' . 30336 1
4 . 1 . 1 1 1 DC H3' H 1 4.626 0.004 10 1 . . . . A 1 DC H3' . 30336 1
5 . 1 . 1 1 1 DC H4' H 1 4.080 0.002 2 1 . . . . A 1 DC H4' . 30336 1
6 . 1 . 1 1 1 DC H5 H 1 5.921 0.000 2 1 . . . . A 1 DC H5 . 30336 1
7 . 1 . 1 1 1 DC H6 H 1 7.693 0.002 12 1 . . . . A 1 DC H6 . 30336 1
8 . 1 . 1 2 2 DC H1' H 1 5.702 0.002 10 1 . . . . A 2 DC H1' . 30336 1
9 . 1 . 1 2 2 DC H2' H 1 2.014 0.008 8 2 . . . . A 2 DC H2' . 30336 1
10 . 1 . 1 2 2 DC H2'' H 1 2.157 0.008 8 2 . . . . A 2 DC H2'' . 30336 1
11 . 1 . 1 2 2 DC H3' H 1 4.780 0.013 4 1 . . . . A 2 DC H3' . 30336 1
12 . 1 . 1 2 2 DC H4' H 1 4.079 0.003 4 1 . . . . A 2 DC H4' . 30336 1
13 . 1 . 1 2 2 DC H5 H 1 5.714 0.010 8 1 . . . . A 2 DC H5 . 30336 1
14 . 1 . 1 2 2 DC H6 H 1 7.536 0.004 20 1 . . . . A 2 DC H6 . 30336 1
15 . 1 . 1 3 3 DA H1' H 1 5.791 0.009 14 1 . . . . A 3 DA H1' . 30336 1
16 . 1 . 1 3 3 DA H2 H 1 7.613 0.003 6 1 . . . . A 3 DA H2 . 30336 1
17 . 1 . 1 3 3 DA H2' H 1 2.816 0.004 8 2 . . . . A 3 DA H2' . 30336 1
18 . 1 . 1 3 3 DA H2'' H 1 2.889 0.004 8 2 . . . . A 3 DA H2'' . 30336 1
19 . 1 . 1 3 3 DA H3' H 1 5.062 0.007 8 1 . . . . A 3 DA H3' . 30336 1
20 . 1 . 1 3 3 DA H4' H 1 4.412 0.002 4 1 . . . . A 3 DA H4' . 30336 1
21 . 1 . 1 3 3 DA H8 H 1 8.230 0.008 14 1 . . . . A 3 DA H8 . 30336 1
22 . 1 . 1 4 4 DA H1' H 1 6.106 0.007 18 1 . . . . A 4 DA H1' . 30336 1
23 . 1 . 1 4 4 DA H2 H 1 7.709 0.006 8 1 . . . . A 4 DA H2 . 30336 1
24 . 1 . 1 4 4 DA H2' H 1 2.724 0.003 8 2 . . . . A 4 DA H2' . 30336 1
25 . 1 . 1 4 4 DA H2'' H 1 2.836 0.005 8 2 . . . . A 4 DA H2'' . 30336 1
26 . 1 . 1 4 4 DA H3' H 1 5.062 0.006 10 1 . . . . A 4 DA H3' . 30336 1
27 . 1 . 1 4 4 DA H4' H 1 4.514 0.001 10 1 . . . . A 4 DA H4' . 30336 1
28 . 1 . 1 4 4 DA H8 H 1 8.172 0.008 24 1 . . . . A 4 DA H8 . 30336 1
29 . 1 . 1 5 5 DG H1' H 1 5.170 0.007 14 1 . . . . A 5 DG H1' . 30336 1
30 . 1 . 1 5 5 DG H2' H 1 2.189 0.004 8 2 . . . . A 5 DG H2' . 30336 1
31 . 1 . 1 5 5 DG H2'' H 1 2.381 0.003 8 2 . . . . A 5 DG H2'' . 30336 1
32 . 1 . 1 5 5 DG H3' H 1 4.679 0.007 8 1 . . . . A 5 DG H3' . 30336 1
33 . 1 . 1 5 5 DG H8 H 1 7.338 0.005 17 1 . . . . A 5 DG H8 . 30336 1
34 . 1 . 1 6 6 DA H1' H 1 5.661 0.005 16 1 . . . . A 6 DA H1' . 30336 1
35 . 1 . 1 6 6 DA H2 H 1 8.328 0.003 7 1 . . . . A 6 DA H2 . 30336 1
36 . 1 . 1 6 6 DA H2' H 1 2.007 0.005 8 2 . . . . A 6 DA H2' . 30336 1
37 . 1 . 1 6 6 DA H2'' H 1 2.039 0.010 8 2 . . . . A 6 DA H2'' . 30336 1
38 . 1 . 1 6 6 DA H3' H 1 4.564 0.004 8 1 . . . . A 6 DA H3' . 30336 1
39 . 1 . 1 6 6 DA H4' H 1 3.991 0.000 2 1 . . . . A 6 DA H4' . 30336 1
40 . 1 . 1 6 6 DA H5' H 1 3.630 0.003 4 2 . . . . A 6 DA H5' . 30336 1
41 . 1 . 1 6 6 DA H5'' H 1 3.468 0.023 6 2 . . . . A 6 DA H5'' . 30336 1
42 . 1 . 1 6 6 DA H8 H 1 7.628 0.004 19 1 . . . . A 6 DA H8 . 30336 1
43 . 1 . 1 7 7 DT H1' H 1 5.660 0.007 16 1 . . . . A 7 DT H1' . 30336 1
44 . 1 . 1 7 7 DT H2' H 1 1.959 0.007 8 2 . . . . A 7 DT H2' . 30336 1
45 . 1 . 1 7 7 DT H2'' H 1 2.618 0.003 8 2 . . . . A 7 DT H2'' . 30336 1
46 . 1 . 1 7 7 DT H3' H 1 4.558 0.002 14 1 . . . . A 7 DT H3' . 30336 1
47 . 1 . 1 7 7 DT H4' H 1 3.683 0.000 2 1 . . . . A 7 DT H4' . 30336 1
48 . 1 . 1 7 7 DT H6 H 1 6.739 0.004 18 1 . . . . A 7 DT H6 . 30336 1
49 . 1 . 1 7 7 DT H71 H 1 0.919 0.003 8 1 . . . . A 7 DT H71 . 30336 1
50 . 1 . 1 7 7 DT H72 H 1 0.919 0.003 8 1 . . . . A 7 DT H72 . 30336 1
51 . 1 . 1 7 7 DT H73 H 1 0.919 0.003 8 1 . . . . A 7 DT H73 . 30336 1
52 . 1 . 1 8 8 DA H1' H 1 6.039 0.011 14 1 . . . . A 8 DA H1' . 30336 1
53 . 1 . 1 8 8 DA H2 H 1 7.565 0.000 2 1 . . . . A 8 DA H2 . 30336 1
54 . 1 . 1 8 8 DA H2' H 1 2.565 0.007 8 2 . . . . A 8 DA H2' . 30336 1
55 . 1 . 1 8 8 DA H2'' H 1 2.818 0.002 8 2 . . . . A 8 DA H2'' . 30336 1
56 . 1 . 1 8 8 DA H3' H 1 5.028 0.006 6 1 . . . . A 8 DA H3' . 30336 1
57 . 1 . 1 8 8 DA H4' H 1 4.361 0.005 4 1 . . . . A 8 DA H4' . 30336 1
58 . 1 . 1 8 8 DA H8 H 1 8.005 0.002 10 1 . . . . A 8 DA H8 . 30336 1
59 . 1 . 1 9 9 DG H1' H 1 5.862 0.006 10 1 . . . . A 9 DG H1' . 30336 1
60 . 1 . 1 9 9 DG H2' H 1 2.128 0.017 6 2 . . . . A 9 DG H2' . 30336 1
61 . 1 . 1 9 9 DG H2'' H 1 2.434 0.008 8 2 . . . . A 9 DG H2'' . 30336 1
62 . 1 . 1 9 9 DG H3' H 1 5.011 0.010 2 1 . . . . A 9 DG H3' . 30336 1
63 . 1 . 1 9 9 DG H4' H 1 4.429 0.000 2 1 . . . . A 9 DG H4' . 30336 1
64 . 1 . 1 9 9 DG H8 H 1 7.589 0.007 12 1 . . . . A 9 DG H8 . 30336 1
65 . 2 . 2 1 1 DC H1' H 1 5.844 0.006 12 1 . . . . B 10 DC H1' . 30336 1
66 . 2 . 2 1 1 DC H2' H 1 2.128 0.007 8 2 . . . . B 10 DC H2' . 30336 1
67 . 2 . 2 1 1 DC H2'' H 1 2.461 0.012 8 2 . . . . B 10 DC H2'' . 30336 1
68 . 2 . 2 1 1 DC H3' H 1 4.797 0.003 4 1 . . . . B 10 DC H3' . 30336 1
69 . 2 . 2 1 1 DC H5 H 1 5.830 0.000 2 1 . . . . B 10 DC H5 . 30336 1
70 . 2 . 2 1 1 DC H6 H 1 7.691 0.003 12 1 . . . . B 10 DC H6 . 30336 1
71 . 2 . 2 2 2 DT H1' H 1 5.629 0.005 12 1 . . . . B 11 DT H1' . 30336 1
72 . 2 . 2 2 2 DT H2' H 1 2.219 0.010 8 2 . . . . B 11 DT H2' . 30336 1
73 . 2 . 2 2 2 DT H2'' H 1 2.545 0.001 8 2 . . . . B 11 DT H2'' . 30336 1
74 . 2 . 2 2 2 DT H3' H 1 4.695 0.017 6 1 . . . . B 11 DT H3' . 30336 1
75 . 2 . 2 2 2 DT H6 H 1 7.499 0.003 14 1 . . . . B 11 DT H6 . 30336 1
76 . 2 . 2 2 2 DT H71 H 1 1.683 0.003 8 1 . . . . B 11 DT H71 . 30336 1
77 . 2 . 2 2 2 DT H72 H 1 1.683 0.003 8 1 . . . . B 11 DT H72 . 30336 1
78 . 2 . 2 2 2 DT H73 H 1 1.683 0.003 8 1 . . . . B 11 DT H73 . 30336 1
79 . 2 . 2 3 3 DA H1' H 1 6.462 0.003 14 1 . . . . B 12 DA H1' . 30336 1
80 . 2 . 2 3 3 DA H2 H 1 7.495 0.008 8 1 . . . . B 12 DA H2 . 30336 1
81 . 2 . 2 3 3 DA H2' H 1 2.795 0.001 8 2 . . . . B 12 DA H2' . 30336 1
82 . 2 . 2 3 3 DA H2'' H 1 3.075 0.000 6 2 . . . . B 12 DA H2'' . 30336 1
83 . 2 . 2 3 3 DA H3' H 1 5.096 0.007 10 1 . . . . B 12 DA H3' . 30336 1
84 . 2 . 2 3 3 DA H4' H 1 4.500 0.008 4 1 . . . . B 12 DA H4' . 30336 1
85 . 2 . 2 3 3 DA H8 H 1 8.521 0.001 18 1 . . . . B 12 DA H8 . 30336 1
86 . 2 . 2 4 4 DT H1' H 1 5.763 0.009 12 1 . . . . B 13 DT H1' . 30336 1
87 . 2 . 2 4 4 DT H2' H 1 2.090 0.008 8 2 . . . . B 13 DT H2' . 30336 1
88 . 2 . 2 4 4 DT H2'' H 1 2.415 0.006 10 2 . . . . B 13 DT H2'' . 30336 1
89 . 2 . 2 4 4 DT H3' H 1 4.829 0.003 4 1 . . . . B 13 DT H3' . 30336 1
90 . 2 . 2 4 4 DT H4' H 1 4.219 0.000 2 1 . . . . B 13 DT H4' . 30336 1
91 . 2 . 2 4 4 DT H6 H 1 7.147 0.004 17 1 . . . . B 13 DT H6 . 30336 1
92 . 2 . 2 4 4 DT H71 H 1 1.566 0.003 10 1 . . . . B 13 DT H71 . 30336 1
93 . 2 . 2 4 4 DT H72 H 1 1.566 0.003 10 1 . . . . B 13 DT H72 . 30336 1
94 . 2 . 2 4 4 DT H73 H 1 1.566 0.003 10 1 . . . . B 13 DT H73 . 30336 1
95 . 2 . 2 5 5 DC H1' H 1 5.301 0.006 21 1 . . . . B 14 DC H1' . 30336 1
96 . 2 . 2 5 5 DC H2' H 1 1.809 0.005 10 2 . . . . B 14 DC H2' . 30336 1
97 . 2 . 2 5 5 DC H2'' H 1 2.113 0.014 10 2 . . . . B 14 DC H2'' . 30336 1
98 . 2 . 2 5 5 DC H3' H 1 4.530 0.003 16 1 . . . . B 14 DC H3' . 30336 1
99 . 2 . 2 5 5 DC H4' H 1 2.942 0.008 3 1 . . . . B 14 DC H4' . 30336 1
100 . 2 . 2 5 5 DC H5 H 1 5.491 0.004 14 1 . . . . B 14 DC H5 . 30336 1
101 . 2 . 2 5 5 DC H5' H 1 3.569 0.003 6 2 . . . . B 14 DC H5' . 30336 1
102 . 2 . 2 5 5 DC H5'' H 1 2.942 0.009 2 2 . . . . B 14 DC H5'' . 30336 1
103 . 2 . 2 5 5 DC H6 H 1 7.447 0.005 20 1 . . . . B 14 DC H6 . 30336 1
104 . 2 . 2 6 6 DT H1' H 1 5.587 0.003 12 1 . . . . B 15 DT H1' . 30336 1
105 . 2 . 2 6 6 DT H2' H 1 1.799 0.002 8 2 . . . . B 15 DT H2' . 30336 1
106 . 2 . 2 6 6 DT H2'' H 1 2.267 0.003 8 2 . . . . B 15 DT H2'' . 30336 1
107 . 2 . 2 6 6 DT H3' H 1 4.452 0.003 12 1 . . . . B 15 DT H3' . 30336 1
108 . 2 . 2 6 6 DT H4' H 1 3.984 0.006 4 1 . . . . B 15 DT H4' . 30336 1
109 . 2 . 2 6 6 DT H6 H 1 7.060 0.003 22 1 . . . . B 15 DT H6 . 30336 1
110 . 2 . 2 6 6 DT H71 H 1 1.438 0.003 10 1 . . . . B 15 DT H71 . 30336 1
111 . 2 . 2 6 6 DT H72 H 1 1.438 0.003 10 1 . . . . B 15 DT H72 . 30336 1
112 . 2 . 2 6 6 DT H73 H 1 1.438 0.003 10 1 . . . . B 15 DT H73 . 30336 1
113 . 2 . 2 7 7 DT H1' H 1 5.812 0.003 10 1 . . . . B 16 DT H1' . 30336 1
114 . 2 . 2 7 7 DT H2' H 1 1.795 0.007 6 2 . . . . B 16 DT H2' . 30336 1
115 . 2 . 2 7 7 DT H2'' H 1 2.260 0.011 8 2 . . . . B 16 DT H2'' . 30336 1
116 . 2 . 2 7 7 DT H3' H 1 4.615 0.005 12 1 . . . . B 16 DT H3' . 30336 1
117 . 2 . 2 7 7 DT H4' H 1 3.975 0.000 2 1 . . . . B 16 DT H4' . 30336 1
118 . 2 . 2 7 7 DT H6 H 1 6.985 0.006 16 1 . . . . B 16 DT H6 . 30336 1
119 . 2 . 2 7 7 DT H71 H 1 1.551 0.006 10 1 . . . . B 16 DT H71 . 30336 1
120 . 2 . 2 7 7 DT H72 H 1 1.551 0.006 10 1 . . . . B 16 DT H72 . 30336 1
121 . 2 . 2 7 7 DT H73 H 1 1.551 0.006 10 1 . . . . B 16 DT H73 . 30336 1
122 . 2 . 2 8 8 DG H1' H 1 5.484 0.003 8 1 . . . . B 17 DG H1' . 30336 1
123 . 2 . 2 8 8 DG H2' H 1 2.643 0.004 8 2 . . . . B 17 DG H2' . 30336 1
124 . 2 . 2 8 8 DG H2'' H 1 2.672 0.006 8 2 . . . . B 17 DG H2'' . 30336 1
125 . 2 . 2 8 8 DG H3' H 1 4.960 0.001 4 1 . . . . B 17 DG H3' . 30336 1
126 . 2 . 2 8 8 DG H8 H 1 7.866 0.007 12 1 . . . . B 17 DG H8 . 30336 1
127 . 2 . 2 9 9 DG H1' H 1 6.219 0.002 10 1 . . . . B 18 DG H1' . 30336 1
128 . 2 . 2 9 9 DG H2' H 1 2.374 0.005 6 2 . . . . B 18 DG H2' . 30336 1
129 . 2 . 2 9 9 DG H2'' H 1 2.560 0.006 6 2 . . . . B 18 DG H2'' . 30336 1
130 . 2 . 2 9 9 DG H3' H 1 4.669 0.003 8 1 . . . . B 18 DG H3' . 30336 1
131 . 2 . 2 9 9 DG H4' H 1 4.265 0.004 4 1 . . . . B 18 DG H4' . 30336 1
132 . 2 . 2 9 9 DG H8 H 1 7.858 0.006 16 1 . . . . B 18 DG H8 . 30336 1
133 . 3 . 3 1 1 BVV H1 H 1 8.206 0.003 10 1 . . . . B 101 BVV H1 . 30336 1
134 . 3 . 3 1 1 BVV H2 H 1 7.956 0.003 18 1 . . . . B 101 BVV H2 . 30336 1
135 . 3 . 3 1 1 BVV H11 H 1 7.278 0.003 8 1 . . . . B 101 BVV H11 . 30336 1
136 . 3 . 3 1 1 BVV H12 H 1 8.273 0.000 2 1 . . . . B 101 BVV H12 . 30336 1
137 . 3 . 3 1 1 BVV H15 H 1 8.411 0.016 22 1 . . . . B 101 BVV H15 . 30336 1
138 . 3 . 3 1 1 BVV H17 H 1 8.203 0.006 18 1 . . . . B 101 BVV H17 . 30336 1
139 . 3 . 3 1 1 BVV H9 H 1 5.859 0.012 6 1 . . . . B 101 BVV H9 . 30336 1
140 . 3 . 3 1 1 BVV H10 H 1 5.859 0.012 6 1 . . . . B 101 BVV H10 . 30336 1
stop_
save_