Content for NMR-STAR saveframe, "shifts2"
save_shifts2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode shifts2
_Assigned_chem_shift_list.Entry_ID 25041
_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
4 '2D 1H-1H NOESY' . . . 25041 2
5 '2D 1H-1H TOCSY' . . . 25041 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 $SPARKY . . 25041 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.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 C H1' H 1 5.788 0.000 . . . . . B 1 C H1' . 25041 2
2 . 2 2 1 1 C H2' H 1 4.564 0.000 . . . . . B 1 C H2' . 25041 2
3 . 2 2 1 1 C H3' H 1 4.444 0.000 . . . . . B 1 C H3' . 25041 2
4 . 2 2 1 1 C H4' H 1 4.321 0.000 . . . . . B 1 C H4' . 25041 2
5 . 2 2 1 1 C H5 H 1 5.836 0.000 . . . . . B 1 C H5 . 25041 2
6 . 2 2 1 1 C H5' H 1 3.977 0.000 . . . . . B 1 C H5' . 25041 2
7 . 2 2 1 1 C H5'' H 1 3.892 0.000 . . . . . B 1 C H5'' . 25041 2
8 . 2 2 1 1 C H6 H 1 7.759 0.000 . . . . . B 1 C H6 . 25041 2
9 . 2 2 1 1 C C1' C 13 93.157 0.000 . . . . . B 1 C C1' . 25041 2
10 . 2 2 1 1 C C2' C 13 75.537 0.000 . . . . . B 1 C C2' . 25041 2
11 . 2 2 1 1 C C3' C 13 76.123 0.000 . . . . . B 1 C C3' . 25041 2
12 . 2 2 1 1 C C4' C 13 85.669 0.000 . . . . . B 1 C C4' . 25041 2
13 . 2 2 1 1 C C5 C 13 98.605 0.000 . . . . . B 1 C C5 . 25041 2
14 . 2 2 1 1 C C5' C 13 63.133 0.005 . . . . . B 1 C C5' . 25041 2
15 . 2 2 1 1 C C6 C 13 143.858 0.000 . . . . . B 1 C C6 . 25041 2
16 . 2 2 2 2 A H1' H 1 5.919 0.000 . . . . . B 2 A H1' . 25041 2
17 . 2 2 2 2 A H2 H 1 8.103 0.000 . . . . . B 2 A H2 . 25041 2
18 . 2 2 2 2 A H2' H 1 4.924 0.000 . . . . . B 2 A H2' . 25041 2
19 . 2 2 2 2 A H3' H 1 4.810 0.000 . . . . . B 2 A H3' . 25041 2
20 . 2 2 2 2 A H4' H 1 4.598 0.000 . . . . . B 2 A H4' . 25041 2
21 . 2 2 2 2 A H5' H 1 4.384 0.000 . . . . . B 2 A H5' . 25041 2
22 . 2 2 2 2 A H5'' H 1 4.307 0.000 . . . . . B 2 A H5'' . 25041 2
23 . 2 2 2 2 A H8 H 1 8.235 0.000 . . . . . B 2 A H8 . 25041 2
24 . 2 2 2 2 A C1' C 13 91.100 0.000 . . . . . B 2 A C1' . 25041 2
25 . 2 2 2 2 A C2 C 13 155.361 0.000 . . . . . B 2 A C2 . 25041 2
26 . 2 2 2 2 A C2' C 13 75.492 0.000 . . . . . B 2 A C2' . 25041 2
27 . 2 2 2 2 A C3' C 13 75.957 0.000 . . . . . B 2 A C3' . 25041 2
28 . 2 2 2 2 A C4' C 13 85.011 0.000 . . . . . B 2 A C4' . 25041 2
29 . 2 2 2 2 A C5' C 13 67.314 0.003 . . . . . B 2 A C5' . 25041 2
30 . 2 2 2 2 A C8 C 13 142.289 0.000 . . . . . B 2 A C8 . 25041 2
31 . 2 2 3 3 C H1' H 1 5.840 0.000 . . . . . B 3 C H1' . 25041 2
32 . 2 2 3 3 C H2' H 1 4.385 0.000 . . . . . B 3 C H2' . 25041 2
33 . 2 2 3 3 C H3' H 1 4.742 0.000 . . . . . B 3 C H3' . 25041 2
34 . 2 2 3 3 C H4' H 1 4.441 0.000 . . . . . B 3 C H4' . 25041 2
35 . 2 2 3 3 C H5 H 1 5.781 0.000 . . . . . B 3 C H5 . 25041 2
36 . 2 2 3 3 C H5' H 1 4.348 0.000 . . . . . B 3 C H5' . 25041 2
37 . 2 2 3 3 C H5'' H 1 4.236 0.000 . . . . . B 3 C H5'' . 25041 2
38 . 2 2 3 3 C H6 H 1 7.673 0.000 . . . . . B 3 C H6 . 25041 2
39 . 2 2 3 3 C C1' C 13 91.859 0.000 . . . . . B 3 C C1' . 25041 2
40 . 2 2 3 3 C C2' C 13 76.457 0.000 . . . . . B 3 C C2' . 25041 2
41 . 2 2 3 3 C C3' C 13 74.879 0.000 . . . . . B 3 C C3' . 25041 2
42 . 2 2 3 3 C C4' C 13 84.758 0.000 . . . . . B 3 C C4' . 25041 2
43 . 2 2 3 3 C C5 C 13 98.724 0.000 . . . . . B 3 C C5 . 25041 2
44 . 2 2 3 3 C C5' C 13 67.403 0.010 . . . . . B 3 C C5' . 25041 2
45 . 2 2 3 3 C C6 C 13 142.921 0.000 . . . . . B 3 C C6 . 25041 2
46 . 2 2 4 4 A H1' H 1 5.931 0.000 . . . . . B 4 A H1' . 25041 2
47 . 2 2 4 4 A H2 H 1 8.156 0.000 . . . . . B 4 A H2 . 25041 2
48 . 2 2 4 4 A H2' H 1 4.795 0.000 . . . . . B 4 A H2' . 25041 2
49 . 2 2 4 4 A H3' H 1 4.756 0.000 . . . . . B 4 A H3' . 25041 2
50 . 2 2 4 4 A H4' H 1 4.566 0.000 . . . . . B 4 A H4' . 25041 2
51 . 2 2 4 4 A H5' H 1 4.408 0.000 . . . . . B 4 A H5' . 25041 2
52 . 2 2 4 4 A H5'' H 1 4.253 0.000 . . . . . B 4 A H5'' . 25041 2
53 . 2 2 4 4 A H8 H 1 8.314 0.000 . . . . . B 4 A H8 . 25041 2
54 . 2 2 4 4 A C1' C 13 92.206 0.000 . . . . . B 4 A C1' . 25041 2
55 . 2 2 4 4 A C2 C 13 155.259 0.000 . . . . . B 4 A C2 . 25041 2
56 . 2 2 4 4 A C2' C 13 76.001 0.000 . . . . . B 4 A C2' . 25041 2
57 . 2 2 4 4 A C3' C 13 77.466 0.000 . . . . . B 4 A C3' . 25041 2
58 . 2 2 4 4 A C4' C 13 84.263 0.000 . . . . . B 4 A C4' . 25041 2
59 . 2 2 4 4 A C5' C 13 66.555 0.004 . . . . . B 4 A C5' . 25041 2
60 . 2 2 4 4 A C8 C 13 141.521 0.000 . . . . . B 4 A C8 . 25041 2
61 . 2 2 5 5 C H1' H 1 5.675 0.000 . . . . . B 5 C H1' . 25041 2
62 . 2 2 5 5 C H2' H 1 4.255 0.000 . . . . . B 5 C H2' . 25041 2
63 . 2 2 5 5 C H3' H 1 4.556 0.000 . . . . . B 5 C H3' . 25041 2
64 . 2 2 5 5 C H4' H 1 4.377 0.000 . . . . . B 5 C H4' . 25041 2
65 . 2 2 5 5 C H5 H 1 5.603 0.000 . . . . . B 5 C H5 . 25041 2
66 . 2 2 5 5 C H5' H 1 4.424 0.000 . . . . . B 5 C H5' . 25041 2
67 . 2 2 5 5 C H5'' H 1 4.175 0.000 . . . . . B 5 C H5'' . 25041 2
68 . 2 2 5 5 C H6 H 1 7.584 0.000 . . . . . B 5 C H6 . 25041 2
69 . 2 2 5 5 C C1' C 13 92.428 0.000 . . . . . B 5 C C1' . 25041 2
70 . 2 2 5 5 C C2' C 13 76.359 0.000 . . . . . B 5 C C2' . 25041 2
71 . 2 2 5 5 C C3' C 13 74.686 0.000 . . . . . B 5 C C3' . 25041 2
72 . 2 2 5 5 C C4' C 13 83.517 0.000 . . . . . B 5 C C4' . 25041 2
73 . 2 2 5 5 C C5 C 13 98.139 0.000 . . . . . B 5 C C5 . 25041 2
74 . 2 2 5 5 C C5' C 13 66.123 0.001 . . . . . B 5 C C5' . 25041 2
75 . 2 2 5 5 C C6 C 13 141.906 0.000 . . . . . B 5 C C6 . 25041 2
76 . 2 2 6 6 A H1' H 1 6.111 0.000 . . . . . B 6 A H1' . 25041 2
77 . 2 2 6 6 A H2 H 1 8.243 0.000 . . . . . B 6 A H2 . 25041 2
78 . 2 2 6 6 A H2' H 1 4.570 0.000 . . . . . B 6 A H2' . 25041 2
79 . 2 2 6 6 A H3' H 1 4.511 0.000 . . . . . B 6 A H3' . 25041 2
80 . 2 2 6 6 A H4' H 1 4.400 0.000 . . . . . B 6 A H4' . 25041 2
81 . 2 2 6 6 A H5' H 1 4.286 0.000 . . . . . B 6 A H5' . 25041 2
82 . 2 2 6 6 A H5'' H 1 4.184 0.000 . . . . . B 6 A H5'' . 25041 2
83 . 2 2 6 6 A H8 H 1 8.428 0.000 . . . . . B 6 A H8 . 25041 2
84 . 2 2 6 6 A C1' C 13 90.160 0.000 . . . . . B 6 A C1' . 25041 2
85 . 2 2 6 6 A C2 C 13 155.621 0.000 . . . . . B 6 A C2 . 25041 2
86 . 2 2 6 6 A C2' C 13 77.849 0.000 . . . . . B 6 A C2' . 25041 2
87 . 2 2 6 6 A C3' C 13 72.862 0.000 . . . . . B 6 A C3' . 25041 2
88 . 2 2 6 6 A C4' C 13 86.332 0.000 . . . . . B 6 A C4' . 25041 2
89 . 2 2 6 6 A C5' C 13 67.409 0.001 . . . . . B 6 A C5' . 25041 2
90 . 2 2 6 6 A C8 C 13 142.021 0.000 . . . . . B 6 A C8 . 25041 2
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save_