Content for NMR-STAR saveframe, "assigned_chem_shift_list_2"
save_assigned_chem_shift_list_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_2
_Assigned_chem_shift_list.Entry_ID 25800
_Assigned_chem_shift_list.ID 2
_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 1H-15N HSQC' . . . 25800 2
4 '3D HNCACB' . . . 25800 2
5 '2D 1H-1H NOESY' . . . 25800 2
6 '2D 1H-1H TOCSY' . . . 25800 2
10 '2D 1H-1H TOCSY' . . . 25800 2
11 '2D 1H-1H NOESY' . . . 25800 2
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
2 $CARA . . 25800 2
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.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 . 2 2 1 1 A H1' H 1 5.918 0.02 . 1 . . . . . 101 A H1' . 25800 2
2 . 2 2 1 1 A H2 H 1 7.627 0.02 . 1 . . . . . 101 A H2 . 25800 2
3 . 2 2 1 1 A H2' H 1 4.384 0.02 . 1 . . . . . 101 A H2' . 25800 2
4 . 2 2 1 1 A H3' H 1 4.319 0.02 . 1 . . . . . 101 A H3' . 25800 2
5 . 2 2 1 1 A H4' H 1 4.022 0.02 . 1 . . . . . 101 A H4' . 25800 2
6 . 2 2 1 1 A H5' H 1 3.571 0.02 . 1 . . . . . 101 A H5' . 25800 2
7 . 2 2 1 1 A H5'' H 1 3.457 0.02 . 1 . . . . . 101 A H5'' . 25800 2
8 . 2 2 1 1 A H8 H 1 8.188 0.02 . 1 . . . . . 101 A H8 . 25800 2
9 . 2 2 1 1 A C1' C 13 88.56 0.3 . 1 . . . . . 101 A C1' . 25800 2
10 . 2 2 1 1 A C2 C 13 151.438 0.3 . 1 . . . . . 101 A C2 . 25800 2
11 . 2 2 1 1 A C2' C 13 72.432 0.3 . 1 . . . . . 101 A C2' . 25800 2
12 . 2 2 1 1 A C3' C 13 73.406 0.3 . 1 . . . . . 101 A C3' . 25800 2
13 . 2 2 1 1 A C4' C 13 83.691 0.3 . 1 . . . . . 101 A C4' . 25800 2
14 . 2 2 1 1 A C5' C 13 60.267 0.3 . 1 . . . . . 101 A C5' . 25800 2
15 . 2 2 1 1 A C8 C 13 139.58 0.3 . 1 . . . . . 101 A C8 . 25800 2
16 . 2 2 2 2 C H1' H 1 5.789 0.02 . 1 . . . . . 102 C H1' . 25800 2
17 . 2 2 2 2 C H2' H 1 3.938 0.02 . 1 . . . . . 102 C H2' . 25800 2
18 . 2 2 2 2 C H3' H 1 4.238 0.02 . 1 . . . . . 102 C H3' . 25800 2
19 . 2 2 2 2 C H4' H 1 4.046 0.02 . 1 . . . . . 102 C H4' . 25800 2
20 . 2 2 2 2 C H5 H 1 5.677 0.02 . 1 . . . . . 102 C H5 . 25800 2
21 . 2 2 2 2 C H5' H 1 3.917 0.02 . 1 . . . . . 102 C H5' . 25800 2
22 . 2 2 2 2 C H5'' H 1 3.754 0.02 . 1 . . . . . 102 C H5'' . 25800 2
23 . 2 2 2 2 C H6 H 1 7.692 0.02 . 1 . . . . . 102 C H6 . 25800 2
24 . 2 2 2 2 C C1' C 13 88.853 0.3 . 1 . . . . . 102 C C1' . 25800 2
25 . 2 2 2 2 C C2' C 13 72.683 0.3 . 1 . . . . . 102 C C2' . 25800 2
26 . 2 2 2 2 C C3' C 13 72.546 0.3 . 1 . . . . . 102 C C3' . 25800 2
27 . 2 2 2 2 C C4' C 13 81.11 0.3 . 1 . . . . . 102 C C4' . 25800 2
28 . 2 2 2 2 C C5 C 13 94.886 0.3 . 1 . . . . . 102 C C5 . 25800 2
29 . 2 2 2 2 C C5' C 13 63.943 0.3 . 1 . . . . . 102 C C5' . 25800 2
30 . 2 2 2 2 C C6 C 13 139.659 0.3 . 1 . . . . . 102 C C6 . 25800 2
31 . 2 2 3 3 A H1' H 1 5.863 0.02 . 1 . . . . . 103 A H1' . 25800 2
32 . 2 2 3 3 A H2 H 1 7.602 0.02 . 1 . . . . . 103 A H2 . 25800 2
33 . 2 2 3 3 A H2' H 1 4.259 0.02 . 1 . . . . . 103 A H2' . 25800 2
34 . 2 2 3 3 A H3' H 1 4.159 0.02 . 1 . . . . . 103 A H3' . 25800 2
35 . 2 2 3 3 A H4' H 1 3.98 0.02 . 1 . . . . . 103 A H4' . 25800 2
36 . 2 2 3 3 A H5' H 1 3.776 0.02 . 1 . . . . . 103 A H5' . 25800 2
37 . 2 2 3 3 A H5'' H 1 3.712 0.02 . 1 . . . . . 103 A H5'' . 25800 2
38 . 2 2 3 3 A H8 H 1 8.18 0.02 . 1 . . . . . 103 A H8 . 25800 2
39 . 2 2 3 3 A C1' C 13 87.641 0.3 . 1 . . . . . 103 A C1' . 25800 2
40 . 2 2 3 3 A C2 C 13 151.671 0.3 . 1 . . . . . 103 A C2 . 25800 2
41 . 2 2 3 3 A C2' C 13 72.843 0.3 . 1 . . . . . 103 A C2' . 25800 2
42 . 2 2 3 3 A C3' C 13 72.37 0.3 . 1 . . . . . 103 A C3' . 25800 2
43 . 2 2 3 3 A C4' C 13 81.11 0.3 . 1 . . . . . 103 A C4' . 25800 2
44 . 2 2 3 3 A C5' C 13 63.436 0.3 . 1 . . . . . 103 A C5' . 25800 2
45 . 2 2 3 3 A C8 C 13 138.077 0.3 . 1 . . . . . 103 A C8 . 25800 2
46 . 2 2 4 4 U H1' H 1 5.757 0.02 . 1 . . . . . 104 U H1' . 25800 2
47 . 2 2 4 4 U H2' H 1 3.883 0.02 . 1 . . . . . 104 U H2' . 25800 2
48 . 2 2 4 4 U H3' H 1 4.052 0.02 . 1 . . . . . 104 U H3' . 25800 2
49 . 2 2 4 4 U H4' H 1 4.156 0.02 . 1 . . . . . 104 U H4' . 25800 2
50 . 2 2 4 4 U H5 H 1 5.626 0.02 . 1 . . . . . 104 U H5 . 25800 2
51 . 2 2 4 4 U H5' H 1 3.905 0.02 . 1 . . . . . 104 U H5' . 25800 2
52 . 2 2 4 4 U H5'' H 1 3.702 0.02 . 1 . . . . . 104 U H5'' . 25800 2
53 . 2 2 4 4 U H6 H 1 7.447 0.02 . 1 . . . . . 104 U H6 . 25800 2
54 . 2 2 4 4 U C1' C 13 88.521 0.3 . 1 . . . . . 104 U C1' . 25800 2
55 . 2 2 4 4 U C2' C 13 72.272 0.3 . 1 . . . . . 104 U C2' . 25800 2
56 . 2 2 4 4 U C3' C 13 71.803 0.3 . 1 . . . . . 104 U C3' . 25800 2
57 . 2 2 4 4 U C4' C 13 81.13 0.3 . 1 . . . . . 104 U C4' . 25800 2
58 . 2 2 4 4 U C5 C 13 100.84 0.3 . 1 . . . . . 104 U C5 . 25800 2
59 . 2 2 4 4 U C5' C 13 63.141 0.3 . 1 . . . . . 104 U C5' . 25800 2
60 . 2 2 4 4 U C6 C 13 139.147 0.3 . 1 . . . . . 104 U C6 . 25800 2
61 . 2 2 5 5 C H1' H 1 5.708 0.02 . 1 . . . . . 105 C H1' . 25800 2
62 . 2 2 5 5 C H2' H 1 3.865 0.02 . 1 . . . . . 105 C H2' . 25800 2
63 . 2 2 5 5 C H3' H 1 4.114 0.02 . 1 . . . . . 105 C H3' . 25800 2
64 . 2 2 5 5 C H4' H 1 3.895 0.02 . 1 . . . . . 105 C H4' . 25800 2
65 . 2 2 5 5 C H5 H 1 5.559 0.02 . 1 . . . . . 105 C H5 . 25800 2
66 . 2 2 5 5 C H5' H 1 3.843 0.02 . 1 . . . . . 105 C H5' . 25800 2
67 . 2 2 5 5 C H5'' H 1 3.688 0.02 . 1 . . . . . 105 C H5'' . 25800 2
68 . 2 2 5 5 C H6 H 1 7.655 0.02 . 1 . . . . . 105 C H6 . 25800 2
69 . 2 2 5 5 C C1' C 13 89.009 0.3 . 1 . . . . . 105 C C1' . 25800 2
70 . 2 2 5 5 C C2' C 13 72.898 0.3 . 1 . . . . . 105 C C2' . 25800 2
71 . 2 2 5 5 C C3' C 13 71.647 0.3 . 1 . . . . . 105 C C3' . 25800 2
72 . 2 2 5 5 C C4' C 13 80.25 0.3 . 1 . . . . . 105 C C4' . 25800 2
73 . 2 2 5 5 C C5 C 13 94.918 0.3 . 1 . . . . . 105 C C5 . 25800 2
74 . 2 2 5 5 C C5' C 13 62.897 0.3 . 1 . . . . . 105 C C5' . 25800 2
75 . 2 2 5 5 C C6 C 13 139.358 0.3 . 1 . . . . . 105 C C6 . 25800 2
76 . 2 2 6 6 A H1' H 1 5.904 0.02 . 1 . . . . . 106 A H1' . 25800 2
77 . 2 2 6 6 A H2 H 1 7.738 0.02 . 1 . . . . . 106 A H2 . 25800 2
78 . 2 2 6 6 A H2' H 1 4.132 0.02 . 1 . . . . . 106 A H2' . 25800 2
79 . 2 2 6 6 A H3' H 1 4.067 0.02 . 1 . . . . . 106 A H3' . 25800 2
80 . 2 2 6 6 A H4' H 1 3.94 0.02 . 1 . . . . . 106 A H4' . 25800 2
81 . 2 2 6 6 A H5' H 1 3.831 0.02 . 1 . . . . . 106 A H5' . 25800 2
82 . 2 2 6 6 A H5'' H 1 3.738 0.02 . 1 . . . . . 106 A H5'' . 25800 2
83 . 2 2 6 6 A H8 H 1 8.295 0.02 . 1 . . . . . 106 A H8 . 25800 2
84 . 2 2 6 6 A C1' C 13 86.691 0.3 . 1 . . . . . 106 A C1' . 25800 2
85 . 2 2 6 6 A C2 C 13 152.025 0.3 . 1 . . . . . 106 A C2 . 25800 2
86 . 2 2 6 6 A C2' C 13 74.501 0.3 . 1 . . . . . 106 A C2' . 25800 2
87 . 2 2 6 6 A C3' C 13 69.515 0.3 . 1 . . . . . 106 A C3' . 25800 2
88 . 2 2 6 6 A C4' C 13 82.948 0.3 . 1 . . . . . 106 A C4' . 25800 2
89 . 2 2 6 6 A C5' C 13 64.021 0.3 . 1 . . . . . 106 A C5' . 25800 2
90 . 2 2 6 6 A C8 C 13 138.457 0.3 . 1 . . . . . 106 A C8 . 25800 2
stop_
save_