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 5777
_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 . 5777 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 . 2 2 1 1 5PC H6 H 1 8.30 . . 1 . . . . . . . . 5777 1
2 . 2 2 1 1 5PC H1' H 1 5.90 . . 1 . . . . . . . . 5777 1
3 . 2 2 1 1 5PC H2' H 1 2.77 . . 1 . . . . . . . . 5777 1
4 . 2 2 1 1 5PC H3' H 1 4.77 . . 1 . . . . . . . . 5777 1
5 . 2 2 1 1 5PC H4' H 1 4.27 . . 1 . . . . . . . . 5777 1
6 . 2 2 1 1 5PC H5' H 1 4.10 . . 1 . . . . . . . . 5777 1
7 . 2 2 1 1 5PC H5'' H 1 3.94 . . 1 . . . . . . . . 5777 1
8 . 2 2 1 1 5PC H2'' H 1 2.77 . . 1 . . . . . . . . 5777 1
9 . 2 2 1 1 5PC H91 H 1 2.14 . . 1 . . . . . . . . 5777 1
10 . 2 2 1 1 5PC H92 H 1 2.14 . . 1 . . . . . . . . 5777 1
11 . 2 2 1 1 5PC H93 H 1 2.14 . . 1 . . . . . . . . 5777 1
12 . 2 2 2 2 5PC H6 H 1 7.91 . . 1 . . . . . . . . 5777 1
13 . 2 2 2 2 5PC H1' H 1 5.99 . . 1 . . . . . . . . 5777 1
14 . 2 2 2 2 5PC H2' H 1 2.52 . . 1 . . . . . . . . 5777 1
15 . 2 2 2 2 5PC H3' H 1 4.84 . . 1 . . . . . . . . 5777 1
16 . 2 2 2 2 5PC H4' H 1 4.33 . . 1 . . . . . . . . 5777 1
17 . 2 2 2 2 5PC H5' H 1 4.29 . . 1 . . . . . . . . 5777 1
18 . 2 2 2 2 5PC H5'' H 1 4.19 . . 1 . . . . . . . . 5777 1
19 . 2 2 2 2 5PC H2'' H 1 2.73 . . 1 . . . . . . . . 5777 1
20 . 2 2 2 2 5PC H91 H 1 2.07 . . 1 . . . . . . . . 5777 1
21 . 2 2 2 2 5PC H92 H 1 2.07 . . 1 . . . . . . . . 5777 1
22 . 2 2 2 2 5PC H93 H 1 2.07 . . 1 . . . . . . . . 5777 1
23 . 2 2 3 3 PDU H6 H 1 7.91 . . 1 . . . . . . . . 5777 1
24 . 2 2 3 3 PDU H1' H 1 6.12 . . 1 . . . . . . . . 5777 1
25 . 2 2 3 3 PDU H2' H 1 2.46 . . 1 . . . . . . . . 5777 1
26 . 2 2 3 3 PDU H3' H 1 4.91 . . 1 . . . . . . . . 5777 1
27 . 2 2 3 3 PDU H4' H 1 4.37 . . 1 . . . . . . . . 5777 1
28 . 2 2 3 3 PDU H5' H 1 4.27 . . 1 . . . . . . . . 5777 1
29 . 2 2 3 3 PDU H5'' H 1 4.19 . . 1 . . . . . . . . 5777 1
30 . 2 2 3 3 PDU H2'' H 1 2.79 . . 1 . . . . . . . . 5777 1
31 . 2 2 3 3 PDU H71 H 1 2.05 . . 1 . . . . . . . . 5777 1
32 . 2 2 3 3 PDU H72 H 1 2.05 . . 1 . . . . . . . . 5777 1
33 . 2 2 3 3 PDU H73 H 1 2.05 . . 1 . . . . . . . . 5777 1
34 . 2 2 4 4 5PC H6 H 1 7.79 . . 1 . . . . . . . . 5777 1
35 . 2 2 4 4 5PC H1' H 1 6.06 . . 1 . . . . . . . . 5777 1
36 . 2 2 4 4 5PC H2' H 1 2.44 . . 1 . . . . . . . . 5777 1
37 . 2 2 4 4 5PC H3' H 1 4.81 . . 1 . . . . . . . . 5777 1
38 . 2 2 4 4 5PC H4' H 1 4.37 . . 1 . . . . . . . . 5777 1
39 . 2 2 4 4 5PC H5' H 1 4.32 . . 1 . . . . . . . . 5777 1
40 . 2 2 4 4 5PC H5'' H 1 4.20 . . 1 . . . . . . . . 5777 1
41 . 2 2 4 4 5PC H2'' H 1 2.75 . . 1 . . . . . . . . 5777 1
42 . 2 2 4 4 5PC H9 H 1 2.10 . . 1 . . . . . . . . 5777 1
43 . 2 2 5 5 5PC H6 H 1 7.65 . . 1 . . . . . . . . 5777 1
44 . 2 2 5 5 5PC H1' H 1 5.97 . . 1 . . . . . . . . 5777 1
45 . 2 2 5 5 5PC H2' H 1 2.42 . . 1 . . . . . . . . 5777 1
46 . 2 2 5 5 5PC H3' H 1 4.82 . . 1 . . . . . . . . 5777 1
47 . 2 2 5 5 5PC H4' H 1 4.31 . . 1 . . . . . . . . 5777 1
48 . 2 2 5 5 5PC H5' H 1 4.28 . . 1 . . . . . . . . 5777 1
49 . 2 2 5 5 5PC H5'' H 1 4.18 . . 1 . . . . . . . . 5777 1
50 . 2 2 5 5 5PC H2'' H 1 2.72 . . 1 . . . . . . . . 5777 1
51 . 2 2 5 5 5PC H91 H 1 2.06 . . 1 . . . . . . . . 5777 1
52 . 2 2 5 5 5PC H92 H 1 2.06 . . 1 . . . . . . . . 5777 1
53 . 2 2 5 5 5PC H93 H 1 2.06 . . 1 . . . . . . . . 5777 1
54 . 2 2 6 6 PDU H6 H 1 7.77 . . 1 . . . . . . . . 5777 1
55 . 2 2 6 6 PDU H1' H 1 6.10 . . 1 . . . . . . . . 5777 1
56 . 2 2 6 6 PDU H2' H 1 2.36 . . 1 . . . . . . . . 5777 1
57 . 2 2 6 6 PDU H3' H 1 4.93 . . 1 . . . . . . . . 5777 1
58 . 2 2 6 6 PDU H4' H 1 4.31 . . 1 . . . . . . . . 5777 1
59 . 2 2 6 6 PDU H5' H 1 4.20 . . 1 . . . . . . . . 5777 1
60 . 2 2 6 6 PDU H5'' H 1 4.17 . . 1 . . . . . . . . 5777 1
61 . 2 2 6 6 PDU H2'' H 1 2.72 . . 1 . . . . . . . . 5777 1
62 . 2 2 6 6 PDU H71 H 1 2.04 . . 1 . . . . . . . . 5777 1
63 . 2 2 6 6 PDU H72 H 1 2.04 . . 1 . . . . . . . . 5777 1
64 . 2 2 6 6 PDU H73 H 1 2.04 . . 1 . . . . . . . . 5777 1
65 . 2 2 7 7 PDU H6 H 1 7.97 . . 1 . . . . . . . . 5777 1
66 . 2 2 7 7 PDU H1' H 1 6.37 . . 1 . . . . . . . . 5777 1
67 . 2 2 7 7 PDU H2' H 1 2.38 . . 1 . . . . . . . . 5777 1
68 . 2 2 7 7 PDU H3' H 1 4.63 . . 1 . . . . . . . . 5777 1
69 . 2 2 7 7 PDU H4' H 1 4.16 . . 1 . . . . . . . . 5777 1
70 . 2 2 7 7 PDU H5' H 1 4.26 . . 1 . . . . . . . . 5777 1
71 . 2 2 7 7 PDU H5'' H 1 4.24 . . 1 . . . . . . . . 5777 1
72 . 2 2 7 7 PDU H2'' H 1 2.38 . . 1 . . . . . . . . 5777 1
73 . 2 2 7 7 PDU H71 H 1 2.06 . . 1 . . . . . . . . 5777 1
74 . 2 2 7 7 PDU H72 H 1 2.06 . . 1 . . . . . . . . 5777 1
75 . 2 2 7 7 PDU H73 H 1 2.06 . . 1 . . . . . . . . 5777 1
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