Content for NMR-STAR saveframe, "assigned_chemical_shifts_one"
save_assigned_chemical_shifts_one
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_one
_Assigned_chem_shift_list.Entry_ID 4135
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Sample_condition_list_ID 1
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_one
_Assigned_chem_shift_list.Chem_shift_reference_ID 1
_Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_one
_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 'Assignment of non-exchangeable proton resonances at 30 degrees C'
_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_one . 4135 1
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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 H5 H 1 5.92 0.02 . 1 . . . . . . . . 4135 1
2 . 1 1 1 1 C H6 H 1 7.95 0.02 . 1 . . . . . . . . 4135 1
3 . 1 1 1 1 C H1' H 1 5.53 0.02 . 1 . . . . . . . . 4135 1
4 . 1 1 1 1 C H2' H 1 4.48 0.02 . 1 . . . . . . . . 4135 1
5 . 1 1 1 1 C H3' H 1 4.49 0.02 . 1 . . . . . . . . 4135 1
6 . 1 1 1 1 C H4' H 1 4.25 0.02 . 1 . . . . . . . . 4135 1
7 . 1 1 1 1 C H5' H 1 3.86 0.02 . 2 . . . . . . . . 4135 1
8 . 1 1 1 1 C H5'' H 1 3.96 0.02 . 2 . . . . . . . . 4135 1
9 . 1 1 2 2 G H8 H 1 7.73 0.02 . 1 . . . . . . . . 4135 1
10 . 1 1 2 2 G H1' H 1 5.69 0.02 . 1 . . . . . . . . 4135 1
11 . 1 1 2 2 G H2' H 1 4.64 0.02 . 1 . . . . . . . . 4135 1
12 . 1 1 2 2 G H3' H 1 4.68 0.02 . 1 . . . . . . . . 4135 1
13 . 1 1 2 2 G H4' H 1 4.47 0.02 . 1 . . . . . . . . 4135 1
14 . 1 1 2 2 G H5' H 1 4.15 0.02 . 2 . . . . . . . . 4135 1
15 . 1 1 2 2 G P P 31 -3.64 0.08 . 1 . . . . . . . . 4135 1
16 . 1 1 3 3 A H2 H 1 7.73 0.02 . 1 . . . . . . . . 4135 1
17 . 1 1 3 3 A H8 H 1 7.87 0.02 . 1 . . . . . . . . 4135 1
18 . 1 1 3 3 A H1' H 1 5.92 0.02 . 1 . . . . . . . . 4135 1
19 . 1 1 3 3 A H2' H 1 4.50 0.02 . 1 . . . . . . . . 4135 1
20 . 1 1 3 3 A H3' H 1 4.56 0.02 . 1 . . . . . . . . 4135 1
21 . 1 1 3 3 A H4' H 1 4.47 0.02 . 1 . . . . . . . . 4135 1
22 . 1 1 3 3 A H5' H 1 4.13 0.02 . 2 . . . . . . . . 4135 1
23 . 1 1 3 3 A P P 31 -3.99 0.08 . 1 . . . . . . . . 4135 1
24 . 1 1 4 4 C H5 H 1 5.15 0.02 . 1 . . . . . . . . 4135 1
25 . 1 1 4 4 C H6 H 1 7.27 0.02 . 1 . . . . . . . . 4135 1
26 . 1 1 4 4 C H1' H 1 5.33 0.02 . 1 . . . . . . . . 4135 1
27 . 1 1 4 4 C H2' H 1 4.03 0.02 . 1 . . . . . . . . 4135 1
28 . 1 1 4 4 C H3' H 1 4.27 0.02 . 1 . . . . . . . . 4135 1
29 . 1 1 4 4 C H4' H 1 4.31 0.02 . 1 . . . . . . . . 4135 1
30 . 1 1 4 4 C H5' H 1 3.98 0.02 . 2 . . . . . . . . 4135 1
31 . 1 1 4 4 C H5'' H 1 4.42 0.02 . 2 . . . . . . . . 4135 1
32 . 1 1 4 4 C P P 31 -4.09 0.08 . 1 . . . . . . . . 4135 1
33 . 1 1 5 5 U H5 H 1 5.28 0.02 . 1 . . . . . . . . 4135 1
34 . 1 1 5 5 U H6 H 1 7.54 0.02 . 1 . . . . . . . . 4135 1
35 . 1 1 5 5 U H1' H 1 5.49 0.02 . 1 . . . . . . . . 4135 1
36 . 1 1 5 5 U H2' H 1 4.47 0.02 . 1 . . . . . . . . 4135 1
37 . 1 1 5 5 U H3' H 1 4.21 0.02 . 1 . . . . . . . . 4135 1
38 . 1 1 5 5 U H4' H 1 4.34 0.02 . 1 . . . . . . . . 4135 1
39 . 1 1 5 5 U H5' H 1 3.99 0.02 . 2 . . . . . . . . 4135 1
40 . 1 1 5 5 U H5'' H 1 4.41 0.02 . 2 . . . . . . . . 4135 1
41 . 1 1 5 5 U P P 31 -4.26 0.08 . 5 . . . . . . . . 4135 1
42 . 1 1 6 6 C H5 H 1 5.75 0.02 . 1 . . . . . . . . 4135 1
43 . 1 1 6 6 C H6 H 1 7.90 0.02 . 1 . . . . . . . . 4135 1
44 . 1 1 6 6 C H1' H 1 5.47 0.02 . 1 . . . . . . . . 4135 1
45 . 1 1 6 6 C H2' H 1 4.39 0.02 . 1 . . . . . . . . 4135 1
46 . 1 1 6 6 C H3' H 1 4.57 0.02 . 1 . . . . . . . . 4135 1
47 . 1 1 6 6 C H4' H 1 4.41 0.02 . 1 . . . . . . . . 4135 1
48 . 1 1 6 6 C H5' H 1 4.06 0.02 . 2 . . . . . . . . 4135 1
49 . 1 1 6 6 C H5'' H 1 4.34 0.02 . 2 . . . . . . . . 4135 1
50 . 1 1 6 6 C P P 31 -4.36 0.08 . 1 . . . . . . . . 4135 1
51 . 1 1 7 7 A H2 H 1 7.03 0.02 . 1 . . . . . . . . 4135 1
52 . 1 1 7 7 A H8 H 1 8.05 0.02 . 1 . . . . . . . . 4135 1
53 . 1 1 7 7 A H1' H 1 5.86 0.02 . 1 . . . . . . . . 4135 1
54 . 1 1 7 7 A H2' H 1 4.65 0.02 . 1 . . . . . . . . 4135 1
55 . 1 1 7 7 A H3' H 1 4.73 0.02 . 1 . . . . . . . . 4135 1
56 . 1 1 7 7 A H4' H 1 4.40 0.02 . 1 . . . . . . . . 4135 1
57 . 1 1 7 7 A H5' H 1 4.10 0.02 . 2 . . . . . . . . 4135 1
58 . 1 1 7 7 A H5'' H 1 4.51 0.02 . 2 . . . . . . . . 4135 1
59 . 1 1 7 7 A P P 31 -3.99 0.08 . 1 . . . . . . . . 4135 1
60 . 1 1 8 8 G H8 H 1 6.99 0.02 . 1 . . . . . . . . 4135 1
61 . 1 1 8 8 G H1' H 1 5.42 0.02 . 1 . . . . . . . . 4135 1
62 . 1 1 8 8 G H2' H 1 4.33 0.02 . 1 . . . . . . . . 4135 1
63 . 1 1 8 8 G H3' H 1 4.28 0.02 . 1 . . . . . . . . 4135 1
64 . 1 1 8 8 G H4' H 1 4.36 0.02 . 1 . . . . . . . . 4135 1
65 . 1 1 8 8 G H5' H 1 3.97 0.02 . 2 . . . . . . . . 4135 1
66 . 1 1 8 8 G P P 31 -3.72 0.08 . 1 . . . . . . . . 4135 1
67 . 1 1 9 9 G H8 H 1 7.16 0.02 . 1 . . . . . . . . 4135 1
68 . 1 1 9 9 G H1' H 1 5.74 0.02 . 1 . . . . . . . . 4135 1
69 . 1 1 9 9 G H2' H 1 3.96 0.02 . 1 . . . . . . . . 4135 1
70 . 1 1 9 9 G H3' H 1 4.12 0.02 . 1 . . . . . . . . 4135 1
71 . 1 1 9 9 G H4' H 1 4.34 0.02 . 1 . . . . . . . . 4135 1
72 . 1 1 9 9 G H5' H 1 3.93 0.02 . 2 . . . . . . . . 4135 1
73 . 1 1 9 9 G H5'' H 1 4.38 0.02 . 2 . . . . . . . . 4135 1
74 . 1 1 9 9 G P P 31 -4.06 0.08 . 1 . . . . . . . . 4135 1
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