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 53443
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name '7SK Site1 RNA SL1-dI 10 degree Celsius'
_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
;
Imino proton assignments (exchangeable-proton, here H1 for Gua and H3 for Ura)
and nonexchangeable proton assignments (here H2/H8 for Ade, H8 for Gua,
H5/H6 for Cyt/Ura, and H1' for all nucleotides).
;
_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' . . . 53443 1
2 '2D 1H-1H NOESY' . . . 53443 1
3 '2D 1H-1H TOCSY' . . . 53443 1
4 '2D 1H-13C HSQC' . . . 53443 1
5 '2D 1H-13C HSQC aromatic' . . . 53443 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 $software_3 . . 53443 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 G H1' H 1 5.739 0.01 . . . . . . . 35 G H1' . 53443 1
2 . 1 . 1 1 1 G H2' H 1 4.865 0.00 . . . . . . . 35 G H2' . 53443 1
3 . 1 . 1 1 1 G H8 H 1 8.102 0.01 . . . . . . . 35 G H8 . 53443 1
4 . 1 . 1 1 1 G C8 C 13 139.561 0.00 . . . . . . . 35 G C8 . 53443 1
5 . 1 . 1 2 2 G H1 H 1 13.422 0.00 . . . . . . . 36 G H1 . 53443 1
6 . 1 . 1 2 2 G H1' H 1 5.875 0.00 . . . . . . . 36 G H1' . 53443 1
7 . 1 . 1 2 2 G H8 H 1 7.633 0.00 . . . . . . . 36 G H8 . 53443 1
8 . 1 . 1 2 2 G C8 C 13 137.247 0.00 . . . . . . . 36 G C8 . 53443 1
9 . 1 . 1 3 3 C H5 H 1 5.200 0.01 . . . . . . . 37 C H5 . 53443 1
10 . 1 . 1 3 3 C H6 H 1 7.681 0.01 . . . . . . . 37 C H6 . 53443 1
11 . 1 . 1 3 3 C H41 H 1 8.614 0.00 . . . . . . . 37 C H41 . 53443 1
12 . 1 . 1 3 3 C H42 H 1 6.902 0.00 . . . . . . . 37 C H42 . 53443 1
13 . 1 . 1 3 3 C C5 C 13 97.404 0.00 . . . . . . . 37 C C5 . 53443 1
14 . 1 . 1 3 3 C C6 C 13 141.257 0.00 . . . . . . . 37 C C6 . 53443 1
15 . 1 . 1 4 4 C H5 H 1 5.514 0.02 . . . . . . . 38 C H5 . 53443 1
16 . 1 . 1 4 4 C H6 H 1 7.625 0.01 . . . . . . . 38 C H6 . 53443 1
17 . 1 . 1 4 4 C H41 H 1 8.244 0.00 . . . . . . . 38 C H41 . 53443 1
18 . 1 . 1 4 4 C H42 H 1 6.892 0.00 . . . . . . . 38 C H42 . 53443 1
19 . 1 . 1 4 4 C C5 C 13 98.806 0.00 . . . . . . . 38 C C5 . 53443 1
20 . 1 . 1 4 4 C C6 C 13 141.585 0.00 . . . . . . . 38 C C6 . 53443 1
21 . 1 . 1 5 5 A H2 H 1 6.904 0.00 . . . . . . . 39 A H2 . 53443 1
22 . 1 . 1 5 5 A H8 H 1 7.850 0.00 . . . . . . . 39 A H8 . 53443 1
23 . 1 . 1 5 5 A C2 C 13 153.936 0.00 . . . . . . . 39 A C2 . 53443 1
24 . 1 . 1 5 5 A C8 C 13 140.503 0.00 . . . . . . . 39 A C8 . 53443 1
25 . 1 . 1 6 6 U H1' H 1 5.662 0.00 . . . . . . . 40 U H1' . 53443 1
26 . 1 . 1 6 6 U H2' H 1 4.792 0.00 . . . . . . . 40 U H2' . 53443 1
27 . 1 . 1 6 6 U H3 H 1 11.717 0.00 . . . . . . . 40 U H3 . 53443 1
28 . 1 . 1 6 6 U H5 H 1 5.430 0.01 . . . . . . . 40 U H5 . 53443 1
29 . 1 . 1 6 6 U H6 H 1 7.481 0.01 . . . . . . . 40 U H6 . 53443 1
30 . 1 . 1 6 6 U C5 C 13 105.292 0.00 . . . . . . . 40 U C5 . 53443 1
31 . 1 . 1 6 6 U C6 C 13 143.137 0.00 . . . . . . . 40 U C6 . 53443 1
32 . 1 . 1 7 7 U H3 H 1 10.386 0.00 . . . . . . . 41 U H3 . 53443 1
33 . 1 . 1 7 7 U H5 H 1 5.828 0.01 . . . . . . . 41 U H5 . 53443 1
34 . 1 . 1 7 7 U H6 H 1 7.874 0.01 . . . . . . . 41 U H6 . 53443 1
35 . 1 . 1 7 7 U C5 C 13 105.443 0.00 . . . . . . . 41 U C5 . 53443 1
36 . 1 . 1 7 7 U C6 C 13 144.003 0.00 . . . . . . . 41 U C6 . 53443 1
37 . 1 . 1 8 8 G H1 H 1 12.479 0.00 . . . . . . . 42 G H1 . 53443 1
38 . 1 . 1 8 8 G H2' H 1 4.879 0.00 . . . . . . . 42 G H2' . 53443 1
39 . 1 . 1 8 8 G H8 H 1 7.779 0.00 . . . . . . . 42 G H8 . 53443 1
40 . 1 . 1 8 8 G C8 C 13 138.378 0.00 . . . . . . . 42 G C8 . 53443 1
41 . 1 . 1 9 9 A H1' H 1 5.888 0.00 . . . . . . . 43 A H1' . 53443 1
42 . 1 . 1 9 9 A H2 H 1 7.773 0.00 . . . . . . . 43 A H2 . 53443 1
43 . 1 . 1 9 9 A H8 H 1 7.936 0.01 . . . . . . . 43 A H8 . 53443 1
44 . 1 . 1 9 9 A C2 C 13 154.311 0.00 . . . . . . . 43 A C2 . 53443 1
45 . 1 . 1 9 9 A C8 C 13 140.272 0.00 . . . . . . . 43 A C8 . 53443 1
46 . 1 . 1 10 10 U H3 H 1 14.125 0.00 . . . . . . . 44 U H3 . 53443 1
47 . 1 . 1 10 10 U H5 H 1 4.965 0.02 . . . . . . . 44 U H5 . 53443 1
48 . 1 . 1 10 10 U H6 H 1 7.612 0.01 . . . . . . . 44 U H6 . 53443 1
49 . 1 . 1 10 10 U C5 C 13 102.997 0.00 . . . . . . . 44 U C5 . 53443 1
50 . 1 . 1 10 10 U C6 C 13 141.877 0.00 . . . . . . . 44 U C6 . 53443 1
51 . 1 . 1 11 11 C H1' H 1 5.545 0.00 . . . . . . . 45 C H1' . 53443 1
52 . 1 . 1 11 11 C H5 H 1 5.595 0.01 . . . . . . . 45 C H5 . 53443 1
53 . 1 . 1 11 11 C H6 H 1 7.685 0.01 . . . . . . . 45 C H6 . 53443 1
54 . 1 . 1 11 11 C H41 H 1 8.294 0.00 . . . . . . . 45 C H41 . 53443 1
55 . 1 . 1 11 11 C H42 H 1 6.809 0.00 . . . . . . . 45 C H42 . 53443 1
56 . 1 . 1 11 11 C C5 C 13 98.830 0.00 . . . . . . . 45 C C5 . 53443 1
57 . 1 . 1 11 11 C C6 C 13 140.979 0.00 . . . . . . . 45 C C6 . 53443 1
58 . 1 . 1 12 12 G H1 H 1 12.885 0.00 . . . . . . . 46 G H1 . 53443 1
59 . 1 . 1 12 12 G H1' H 1 5.599 0.00 . . . . . . . 46 G H1' . 53443 1
60 . 1 . 1 12 12 G H8 H 1 7.494 0.00 . . . . . . . 46 G H8 . 53443 1
61 . 1 . 1 12 12 G C8 C 13 136.488 0.00 . . . . . . . 46 G C8 . 53443 1
62 . 1 . 1 13 13 C H5 H 1 5.233 0.01 . . . . . . . 47 C H5 . 53443 1
63 . 1 . 1 13 13 C H6 H 1 7.758 0.01 . . . . . . . 47 C H6 . 53443 1
64 . 1 . 1 13 13 C H41 H 1 8.596 0.00 . . . . . . . 47 C H41 . 53443 1
65 . 1 . 1 13 13 C H42 H 1 6.916 0.00 . . . . . . . 47 C H42 . 53443 1
66 . 1 . 1 13 13 C C5 C 13 97.159 0.00 . . . . . . . 47 C C5 . 53443 1
67 . 1 . 1 13 13 C C6 C 13 141.625 0.00 . . . . . . . 47 C C6 . 53443 1
68 . 1 . 1 14 14 C H5 H 1 5.447 0.01 . . . . . . . 48 C H5 . 53443 1
69 . 1 . 1 14 14 C H6 H 1 7.622 0.01 . . . . . . . 48 C H6 . 53443 1
70 . 1 . 1 14 14 C H41 H 1 8.495 0.00 . . . . . . . 48 C H41 . 53443 1
71 . 1 . 1 14 14 C H42 H 1 6.881 0.00 . . . . . . . 48 C H42 . 53443 1
72 . 1 . 1 14 14 C C5 C 13 98.128 0.00 . . . . . . . 48 C C5 . 53443 1
73 . 1 . 1 14 14 C C6 C 13 141.207 0.00 . . . . . . . 48 C C6 . 53443 1
74 . 1 . 1 15 15 U H2' H 1 3.741 0.00 . . . . . . . 49 U H2' . 53443 1
75 . 1 . 1 15 15 U H5 H 1 5.759 0.01 . . . . . . . 49 U H5 . 53443 1
76 . 1 . 1 15 15 U H6 H 1 7.736 0.01 . . . . . . . 49 U H6 . 53443 1
77 . 1 . 1 15 15 U HO2' H 1 6.582 0.00 . . . . . . . 49 U HO2' . 53443 1
78 . 1 . 1 15 15 U C5 C 13 105.374 0.00 . . . . . . . 49 U C5 . 53443 1
79 . 1 . 1 15 15 U C6 C 13 141.010 0.00 . . . . . . . 49 U C6 . 53443 1
80 . 1 . 1 16 16 U H3 H 1 11.733 0.00 . . . . . . . 50 U H3 . 53443 1
81 . 1 . 1 16 16 U H5 H 1 5.816 0.01 . . . . . . . 50 U H5 . 53443 1
82 . 1 . 1 16 16 U H6 H 1 7.977 0.01 . . . . . . . 50 U H6 . 53443 1
83 . 1 . 1 16 16 U C5 C 13 105.832 0.00 . . . . . . . 50 U C5 . 53443 1
84 . 1 . 1 16 16 U C6 C 13 145.046 0.00 . . . . . . . 50 U C6 . 53443 1
85 . 1 . 1 17 17 C H1' H 1 5.922 0.01 . . . . . . . 51 C H1' . 53443 1
86 . 1 . 1 17 17 C H4' H 1 3.744 0.00 . . . . . . . 51 C H4' . 53443 1
87 . 1 . 1 17 17 C H5 H 1 6.085 0.01 . . . . . . . 51 C H5 . 53443 1
88 . 1 . 1 17 17 C H5' H 1 2.661 0.00 . . . . . . . 51 C H5' . 53443 1
89 . 1 . 1 17 17 C H5'' H 1 3.572 0.00 . . . . . . . 51 C H5'' . 53443 1
90 . 1 . 1 17 17 C H6 H 1 7.654 0.01 . . . . . . . 51 C H6 . 53443 1
91 . 1 . 1 17 17 C C5 C 13 98.980 0.00 . . . . . . . 51 C C5 . 53443 1
92 . 1 . 1 17 17 C C6 C 13 143.216 0.00 . . . . . . . 51 C C6 . 53443 1
93 . 1 . 1 18 18 G H1 H 1 9.826 0.00 . . . . . . . 52 G H1 . 53443 1
94 . 1 . 1 18 18 G H1' H 1 5.933 0.00 . . . . . . . 52 G H1' . 53443 1
95 . 1 . 1 18 18 G H2' H 1 4.837 0.00 . . . . . . . 52 G H2' . 53443 1
96 . 1 . 1 18 18 G H3' H 1 5.615 0.02 . . . . . . . 52 G H3' . 53443 1
97 . 1 . 1 18 18 G H8 H 1 7.827 0.00 . . . . . . . 52 G H8 . 53443 1
98 . 1 . 1 18 18 G C8 C 13 143.491 0.00 . . . . . . . 52 G C8 . 53443 1
99 . 1 . 1 19 19 G H1 H 1 12.886 0.00 . . . . . . . 60 G H1 . 53443 1
100 . 1 . 1 19 19 G H2' H 1 4.405 0.00 . . . . . . . 60 G H2' . 53443 1
101 . 1 . 1 19 19 G H8 H 1 8.278 0.00 . . . . . . . 60 G H8 . 53443 1
102 . 1 . 1 19 19 G C8 C 13 139.244 0.00 . . . . . . . 60 G C8 . 53443 1
103 . 1 . 1 20 20 G H1 H 1 13.159 0.00 . . . . . . . 61 G H1 . 53443 1
104 . 1 . 1 20 20 G H1' H 1 5.752 0.00 . . . . . . . 61 G H1' . 53443 1
105 . 1 . 1 20 20 G H5' H 1 3.963 0.00 . . . . . . . 61 G H5' . 53443 1
106 . 1 . 1 20 20 G H8 H 1 7.181 0.01 . . . . . . . 61 G H8 . 53443 1
107 . 1 . 1 20 20 G C8 C 13 136.553 0.00 . . . . . . . 61 G C8 . 53443 1
108 . 1 . 1 21 21 C H1' H 1 5.821 0.00 . . . . . . . 62 C H1' . 53443 1
109 . 1 . 1 21 21 C H5 H 1 5.181 0.01 . . . . . . . 62 C H5 . 53443 1
110 . 1 . 1 21 21 C H6 H 1 7.446 0.01 . . . . . . . 62 C H6 . 53443 1
111 . 1 . 1 21 21 C H41 H 1 8.587 0.00 . . . . . . . 62 C H41 . 53443 1
112 . 1 . 1 21 21 C C5 C 13 98.219 0.00 . . . . . . . 62 C C5 . 53443 1
113 . 1 . 1 21 21 C C6 C 13 141.576 0.00 . . . . . . . 62 C C6 . 53443 1
114 . 1 . 1 22 22 U H3 H 1 9.658 0.00 . . . . . . . 63 U H3 . 53443 1
115 . 1 . 1 22 22 U H5 H 1 5.786 0.01 . . . . . . . 63 U H5 . 53443 1
116 . 1 . 1 22 22 U H6 H 1 7.837 0.01 . . . . . . . 63 U H6 . 53443 1
117 . 1 . 1 22 22 U C5 C 13 105.392 0.00 . . . . . . . 63 U C5 . 53443 1
118 . 1 . 1 22 22 U C6 C 13 144.000 0.00 . . . . . . . 63 U C6 . 53443 1
119 . 1 . 1 23 23 G H1 H 1 12.298 0.00 . . . . . . . 64 G H1 . 53443 1
120 . 1 . 1 23 23 G H1' H 1 5.736 0.00 . . . . . . . 64 G H1' . 53443 1
121 . 1 . 1 23 23 G H8 H 1 7.755 0.00 . . . . . . . 64 G H8 . 53443 1
122 . 1 . 1 23 23 G C8 C 13 138.088 0.00 . . . . . . . 64 G C8 . 53443 1
123 . 1 . 1 24 24 A H1' H 1 6.005 0.00 . . . . . . . 65 A H1' . 53443 1
124 . 1 . 1 24 24 A H2 H 1 7.769 0.00 . . . . . . . 65 A H2 . 53443 1
125 . 1 . 1 24 24 A H8 H 1 7.963 0.02 . . . . . . . 65 A H8 . 53443 1
126 . 1 . 1 24 24 A C2 C 13 154.320 0.00 . . . . . . . 65 A C2 . 53443 1
127 . 1 . 1 24 24 A C8 C 13 140.237 0.00 . . . . . . . 65 A C8 . 53443 1
128 . 1 . 1 25 25 U H3 H 1 14.070 0.00 . . . . . . . 66 U H3 . 53443 1
129 . 1 . 1 25 25 U H5 H 1 4.969 0.02 . . . . . . . 66 U H5 . 53443 1
130 . 1 . 1 25 25 U H6 H 1 7.620 0.00 . . . . . . . 66 U H6 . 53443 1
131 . 1 . 1 25 25 U C5 C 13 103.057 0.00 . . . . . . . 66 U C5 . 53443 1
132 . 1 . 1 25 25 U C6 C 13 141.877 0.00 . . . . . . . 66 U C6 . 53443 1
133 . 1 . 1 26 26 C H5 H 1 5.500 0.01 . . . . . . . 67 C H5 . 53443 1
134 . 1 . 1 26 26 C H6 H 1 7.608 0.01 . . . . . . . 67 C H6 . 53443 1
135 . 1 . 1 26 26 C H41 H 1 8.250 0.00 . . . . . . . 67 C H41 . 53443 1
136 . 1 . 1 26 26 C H42 H 1 6.910 0.00 . . . . . . . 67 C H42 . 53443 1
137 . 1 . 1 26 26 C C5 C 13 98.613 0.00 . . . . . . . 67 C C5 . 53443 1
138 . 1 . 1 26 26 C C6 C 13 141.128 0.00 . . . . . . . 67 C C6 . 53443 1
139 . 1 . 1 27 27 U H3 H 1 11.845 0.00 . . . . . . . 68 U H3 . 53443 1
140 . 1 . 1 27 27 U H5 H 1 5.510 0.01 . . . . . . . 68 U H5 . 53443 1
141 . 1 . 1 27 27 U H6 H 1 7.799 0.01 . . . . . . . 68 U H6 . 53443 1
142 . 1 . 1 27 27 U C5 C 13 104.491 0.00 . . . . . . . 68 U C5 . 53443 1
143 . 1 . 1 27 27 U C6 C 13 141.875 0.00 . . . . . . . 68 U C6 . 53443 1
144 . 1 . 1 28 28 G H1 H 1 12.171 0.00 . . . . . . . 69 G H1 . 53443 1
145 . 1 . 1 28 28 G H1' H 1 5.708 0.00 . . . . . . . 69 G H1' . 53443 1
146 . 1 . 1 28 28 G H8 H 1 7.796 0.00 . . . . . . . 69 G H8 . 53443 1
147 . 1 . 1 28 28 G C8 C 13 137.573 0.00 . . . . . . . 69 G C8 . 53443 1
148 . 1 . 1 29 29 G H1 H 1 13.220 0.00 . . . . . . . 70 G H1 . 53443 1
149 . 1 . 1 29 29 G H1' H 1 5.701 0.00 . . . . . . . 70 G H1' . 53443 1
150 . 1 . 1 29 29 G H8 H 1 7.320 0.00 . . . . . . . 70 G H8 . 53443 1
151 . 1 . 1 29 29 G H22 H 1 8.615 0.00 . . . . . . . 70 G H22 . 53443 1
152 . 1 . 1 29 29 G C8 C 13 136.560 0.00 . . . . . . . 70 G C8 . 53443 1
153 . 1 . 1 30 30 C H5 H 1 5.160 0.01 . . . . . . . 71 C H5 . 53443 1
154 . 1 . 1 30 30 C H6 H 1 7.595 0.01 . . . . . . . 71 C H6 . 53443 1
155 . 1 . 1 30 30 C H41 H 1 8.610 0.00 . . . . . . . 71 C H41 . 53443 1
156 . 1 . 1 30 30 C H42 H 1 6.946 0.00 . . . . . . . 71 C H42 . 53443 1
157 . 1 . 1 30 30 C C5 C 13 97.419 0.00 . . . . . . . 71 C C5 . 53443 1
158 . 1 . 1 30 30 C C6 C 13 141.150 0.00 . . . . . . . 71 C C6 . 53443 1
159 . 1 . 1 31 31 C H5 H 1 5.505 0.00 . . . . . . . 72 C H5 . 53443 1
160 . 1 . 1 31 31 C H6 H 1 7.663 0.03 . . . . . . . 72 C H6 . 53443 1
161 . 1 . 1 31 31 C C5 C 13 98.333 0.00 . . . . . . . 72 C C5 . 53443 1
162 . 1 . 1 31 31 C C6 C 13 141.855 0.00 . . . . . . . 72 C C6 . 53443 1
stop_
save_