Content for NMR-STAR saveframe, "chemical_shift_set_1"
save_chemical_shift_set_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1
_Assigned_chem_shift_list.Entry_ID 5530
_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 $sample_1 . 5530 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 C H41 H 1 7.49 . . 1 . . . . . . . . 5530 1
2 . 1 1 1 1 C H42 H 1 8.29 . . 1 . . . . . . . . 5530 1
3 . 1 1 1 1 C H5 H 1 6.071 . . 1 . . . . . . . . 5530 1
4 . 1 1 1 1 C H6 H 1 8.172 . . 1 . . . . . . . . 5530 1
5 . 1 1 1 1 C H1' H 1 5.624 . . 1 . . . . . . . . 5530 1
6 . 1 1 1 1 C H3' H 1 4.521 . . 1 . . . . . . . . 5530 1
7 . 1 1 1 1 C H4' H 1 4.360 . . 1 . . . . . . . . 5530 1
8 . 1 1 1 1 C H5' H 1 4.105 . . 2 . . . . . . . . 5530 1
9 . 1 1 1 1 C H5'' H 1 3.953 . . 2 . . . . . . . . 5530 1
10 . 1 1 1 1 C H2' H 1 4.494 . . 1 . . . . . . . . 5530 1
11 . 1 1 2 2 C H41 H 1 7.100 . . 1 . . . . . . . . 5530 1
12 . 1 1 2 2 C H42 H 1 8.457 . . 1 . . . . . . . . 5530 1
13 . 1 1 2 2 C H5 H 1 5.711 . . 1 . . . . . . . . 5530 1
14 . 1 1 2 2 C H6 H 1 7.980 . . 1 . . . . . . . . 5530 1
15 . 1 1 2 2 C H1' H 1 5.588 . . 1 . . . . . . . . 5530 1
16 . 1 1 2 2 C H3' H 1 4.695 . . 1 . . . . . . . . 5530 1
17 . 1 1 2 2 C H2' H 1 4.599 . . 1 . . . . . . . . 5530 1
18 . 1 1 2 2 C H4' H 1 4.457 . . 1 . . . . . . . . 5530 1
19 . 1 1 3 3 A H61 H 1 7.710 . . 1 . . . . . . . . 5530 1
20 . 1 1 3 3 A H62 H 1 6.293 . . 1 . . . . . . . . 5530 1
21 . 1 1 3 3 A H1' H 1 5.934 . . 1 . . . . . . . . 5530 1
22 . 1 1 3 3 A H8 H 1 8.049 . . 1 . . . . . . . . 5530 1
23 . 1 1 3 3 A H2 H 1 7.024 . . 1 . . . . . . . . 5530 1
24 . 1 1 3 3 A H3' H 1 4.777 . . 1 . . . . . . . . 5530 1
25 . 1 1 3 3 A H2' H 1 4.727 . . 1 . . . . . . . . 5530 1
26 . 1 1 3 3 A H4' H 1 4.539 . . 1 . . . . . . . . 5530 1
27 . 1 1 3 3 A H5' H 1 4.219 . . 2 . . . . . . . . 5530 1
28 . 1 1 4 4 G H1 H 1 12.59 . . 1 . . . . . . . . 5530 1
29 . 1 1 4 4 G H21 H 1 6.165 . . 1 . . . . . . . . 5530 1
30 . 1 1 4 4 G H22 H 1 8.24 . . 1 . . . . . . . . 5530 1
31 . 1 1 4 4 G H1' H 1 5.567 . . 1 . . . . . . . . 5530 1
32 . 1 1 4 4 G H8 H 1 7.209 . . 1 . . . . . . . . 5530 1
33 . 1 1 4 4 G H2' H 1 4.598 . . 1 . . . . . . . . 5530 1
34 . 1 1 4 4 G H4' H 1 4.467 . . 1 . . . . . . . . 5530 1
35 . 1 1 4 4 G H3' H 1 4.447 . . 1 . . . . . . . . 5530 1
36 . 1 1 5 5 A H61 H 1 7.707 . . 1 . . . . . . . . 5530 1
37 . 1 1 5 5 A H62 H 1 6.779 . . 1 . . . . . . . . 5530 1
38 . 1 1 5 5 A H2 H 1 7.840 . . 1 . . . . . . . . 5530 1
39 . 1 1 5 5 A H8 H 1 7.516 . . 1 . . . . . . . . 5530 1
40 . 1 1 5 5 A H1' H 1 5.831 . . 1 . . . . . . . . 5530 1
41 . 1 1 5 5 A H3' H 1 4.386 . . 1 . . . . . . . . 5530 1
42 . 1 1 5 5 A H4' H 1 4.469 . . 1 . . . . . . . . 5530 1
43 . 1 1 5 5 A H2' H 1 4.628 . . 1 . . . . . . . . 5530 1
44 . 1 1 5 5 A H5' H 1 4.076 . . 2 . . . . . . . . 5530 1
45 . 1 1 6 6 OMC HN41 H 1 6.89 . . 1 . . . . . . . . 5530 1
46 . 1 1 6 6 OMC HN42 H 1 7.28 . . 1 . . . . . . . . 5530 1
47 . 1 1 6 6 OMC H5 H 1 5.326 . . 1 . . . . . . . . 5530 1
48 . 1 1 6 6 OMC H6 H 1 7.555 . . 1 . . . . . . . . 5530 1
49 . 1 1 6 6 OMC H1' H 1 5.538 . . 1 . . . . . . . . 5530 1
50 . 1 1 6 6 OMC HM21 H 1 3.647 . . 2 . . . . . . . . 5530 1
51 . 1 1 6 6 OMC H3' H 1 4.389 . . 1 . . . . . . . . 5530 1
52 . 1 1 6 6 OMC H2' H 1 4.285 . . 1 . . . . . . . . 5530 1
53 . 1 1 6 6 OMC H4' H 1 3.842 . . 1 . . . . . . . . 5530 1
54 . 1 1 7 7 U H1' H 1 5.606 . . 1 . . . . . . . . 5530 1
55 . 1 1 7 7 U H5 H 1 5.430 . . 1 . . . . . . . . 5530 1
56 . 1 1 7 7 U H6 H 1 7.581 . . 1 . . . . . . . . 5530 1
57 . 1 1 7 7 U H2' H 1 4.229 . . 1 . . . . . . . . 5530 1
58 . 1 1 7 7 U H3' H 1 4.451 . . 1 . . . . . . . . 5530 1
59 . 1 1 7 7 U H4' H 1 4.367 . . 1 . . . . . . . . 5530 1
60 . 1 1 8 8 OMG H1' H 1 5.652 . . 1 . . . . . . . . 5530 1
61 . 1 1 8 8 OMG H8 H 1 8.191 . . 1 . . . . . . . . 5530 1
62 . 1 1 8 8 OMG H3' H 1 4.712 . . 1 . . . . . . . . 5530 1
63 . 1 1 8 8 OMG H2' H 1 4.472 . . 1 . . . . . . . . 5530 1
64 . 1 1 8 8 OMG HM21 H 1 3.356 . . 2 . . . . . . . . 5530 1
65 . 1 1 8 8 OMG H4' H 1 4.011 . . 1 . . . . . . . . 5530 1
66 . 1 1 8 8 OMG H5' H 1 3.892 . . 2 . . . . . . . . 5530 1
67 . 1 1 8 8 OMG H5'' H 1 3.750 . . 2 . . . . . . . . 5530 1
68 . 1 1 9 9 A H1' H 1 5.557 . . 1 . . . . . . . . 5530 1
69 . 1 1 9 9 A H8 H 1 7.938 . . 1 . . . . . . . . 5530 1
70 . 1 1 9 9 A H2 H 1 8.01 . . 1 . . . . . . . . 5530 1
71 . 1 1 9 9 A H3' H 1 4.792 . . 1 . . . . . . . . 5530 1
72 . 1 1 9 9 A H2' H 1 4.496 . . 1 . . . . . . . . 5530 1
73 . 1 1 9 9 A H4' H 1 4.323 . . 1 . . . . . . . . 5530 1
74 . 1 1 10 10 A H1' H 1 5.891 . . 1 . . . . . . . . 5530 1
75 . 1 1 10 10 A H8 H 1 8.069 . . 1 . . . . . . . . 5530 1
76 . 1 1 10 10 A H3' H 1 4.924 . . 1 . . . . . . . . 5530 1
77 . 1 1 10 10 A H2' H 1 4.792 . . 1 . . . . . . . . 5530 1
78 . 1 1 10 10 A H4' H 1 4.457 . . 1 . . . . . . . . 5530 1
79 . 1 1 10 10 A H5' H 1 4.065 . . 2 . . . . . . . . 5530 1
80 . 1 1 10 10 A H2 H 1 8.12 . . 1 . . . . . . . . 5530 1
81 . 1 1 11 11 G H8 H 1 7.994 . . 1 . . . . . . . . 5530 1
82 . 1 1 11 11 G H1' H 1 5.848 . . 1 . . . . . . . . 5530 1
83 . 1 1 11 11 G H3' H 1 4.848 . . 1 . . . . . . . . 5530 1
84 . 1 1 11 11 G H2' H 1 4.829 . . 1 . . . . . . . . 5530 1
85 . 1 1 11 11 G H5' H 1 4.332 . . 2 . . . . . . . . 5530 1
86 . 1 1 11 11 G H4' H 1 4.574 . . 1 . . . . . . . . 5530 1
87 . 1 1 12 12 A H8 H 1 8.221 . . 1 . . . . . . . . 5530 1
88 . 1 1 12 12 A H1' H 1 5.700 . . 1 . . . . . . . . 5530 1
89 . 1 1 12 12 A H2 H 1 8.192 . . 1 . . . . . . . . 5530 1
90 . 1 1 12 12 A H2' H 1 4.650 . . 1 . . . . . . . . 5530 1
91 . 1 1 12 12 A H4' H 1 4.561 . . 1 . . . . . . . . 5530 1
92 . 1 1 12 12 A H3' H 1 4.442 . . 1 . . . . . . . . 5530 1
93 . 1 1 12 12 A H5' H 1 4.382 . . 2 . . . . . . . . 5530 1
94 . 1 1 13 13 U H3 H 1 14.681 . . 1 . . . . . . . . 5530 1
95 . 1 1 13 13 U H1' H 1 5.411 . . 1 . . . . . . . . 5530 1
96 . 1 1 13 13 U H5 H 1 5.311 . . 1 . . . . . . . . 5530 1
97 . 1 1 13 13 U H6 H 1 7.707 . . 1 . . . . . . . . 5530 1
98 . 1 1 13 13 U H2' H 1 4.369 . . 1 . . . . . . . . 5530 1
99 . 1 1 13 13 U H3' H 1 4.442 . . 1 . . . . . . . . 5530 1
100 . 1 1 14 14 5MC HN41 H 1 6.739 . . 1 . . . . . . . . 5530 1
101 . 1 1 14 14 5MC HN42 H 1 8.447 . . 1 . . . . . . . . 5530 1
102 . 1 1 14 14 5MC H1' H 1 5.594 . . 1 . . . . . . . . 5530 1
103 . 1 1 14 14 5MC H6 H 1 7.786 . . 1 . . . . . . . . 5530 1
104 . 1 1 14 14 5MC H2' H 1 4.279 . . 1 . . . . . . . . 5530 1
105 . 1 1 14 14 5MC H3' H 1 4.531 . . 1 . . . . . . . . 5530 1
106 . 1 1 14 14 5MC HM51 H 1 1.682 . . 2 . . . . . . . . 5530 1
107 . 1 1 15 15 U H3 H 1 13.306 . . 1 . . . . . . . . 5530 1
108 . 1 1 15 15 U H5 H 1 5.312 . . 1 . . . . . . . . 5530 1
109 . 1 1 15 15 U H6 H 1 7.788 . . 1 . . . . . . . . 5530 1
110 . 1 1 15 15 U H1' H 1 5.519 . . 1 . . . . . . . . 5530 1
111 . 1 1 15 15 U H3' H 1 4.628 . . 1 . . . . . . . . 5530 1
112 . 1 1 15 15 U H2' H 1 4.603 . . 1 . . . . . . . . 5530 1
113 . 1 1 16 16 G H1 H 1 12.395 . . 1 . . . . . . . . 5530 1
114 . 1 1 16 16 G H21 H 1 5.909 . . 1 . . . . . . . . 5530 1
115 . 1 1 16 16 G H22 H 1 7.951 . . 1 . . . . . . . . 5530 1
116 . 1 1 16 16 G H8 H 1 7.697 . . 1 . . . . . . . . 5530 1
117 . 1 1 16 16 G H1' H 1 5.744 . . 1 . . . . . . . . 5530 1
118 . 1 1 16 16 G H3' H 1 4.547 . . 1 . . . . . . . . 5530 1
119 . 1 1 16 16 G H2' H 1 4.514 . . 1 . . . . . . . . 5530 1
120 . 1 1 17 17 G H1 H 1 13.14 . . 1 . . . . . . . . 5530 1
121 . 1 1 17 17 G H1' H 1 5.774 . . 1 . . . . . . . . 5530 1
122 . 1 1 17 17 G H8 H 1 7.393 . . 1 . . . . . . . . 5530 1
123 . 1 1 17 17 G H3' H 1 4.211 . . 1 . . . . . . . . 5530 1
124 . 1 1 17 17 G H2' H 1 4.056 . . 1 . . . . . . . . 5530 1
stop_
save_