Content for NMR-STAR saveframe, assigned_chemical_shifts_1
save_assigned_chemical_shifts_1
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_1
_Assigned_chem_shift_list.Entry_ID 34991
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name .
_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 $chem_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 'Assignment of exchangeable protons at low temperature'
_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 NH2 only' . . . 34991 1
2 BEST-TROSY . . . 34991 1
3 '1H-15N CPMG-NOESY' . . . 34991 1
4 HNN-COSY . . . 34991 1
5 '2D NOESY' . . . 34991 1
6 '3D 1H-13C NOESY' . . . 34991 1
7 '2D 1H-13C HSQC aliphatic' . . . 34991 1
8 '2D 1H-13C HSQC aromatic' . . . 34991 1
9 BEST-TROSY . . . 34991 1
10 CNC . . . 34991 1
11 '1H-15N CPMG-NOESY' . . . 34991 1
12 '2D 1H-1H TOCSY' . . . 34991 1
13 HCCNH . . . 34991 1
14 '3D HCN' . . . 34991 1
15 '2D NOESY' . . . 34991 1
16 fw-HCCH-TOCSY . . . 34991 1
17 '2D NOESY' . . . 34991 1
stop_
loop_
_Atom_chem_shift.ID
_Atom_chem_shift.Assembly_atom_ID
_Atom_chem_shift.Entity_assembly_ID
_Atom_chem_shift.Entity_assembly_asym_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 . 1 . 1 1 1 G H1 H 1 12.899 0.00 . 1 . . . . A 1 G H1 . 34991 1
2 . 1 . 1 1 1 G N1 N 15 147.245 0.03 . 1 . . . . A 1 G N1 . 34991 1
3 . 1 . 1 2 2 G H1 H 1 13.457 0.00 . 1 . . . . A 2 G H1 . 34991 1
4 . 1 . 1 2 2 G N1 N 15 148.326 0.02 . 1 . . . . A 2 G N1 . 34991 1
5 . 1 . 1 3 3 U H3 H 1 14.423 0.01 . 1 . . . . A 3 U H3 . 34991 1
6 . 1 . 1 3 3 U N3 N 15 162.597 0.06 . 1 . . . . A 3 U N3 . 34991 1
7 . 1 . 1 4 4 U H3 H 1 13.848 0.00 . 1 . . . . A 4 U H3 . 34991 1
8 . 1 . 1 4 4 U N3 N 15 163.041 0.07 . 1 . . . . A 4 U N3 . 34991 1
9 . 1 . 1 5 5 C H6 H 1 7.913 0.00 . 1 . . . . A 5 C H6 . 34991 1
10 . 1 . 1 5 5 C H41 H 1 8.430 0.00 . . . . . . A 5 C H41 . 34991 1
11 . 1 . 1 5 5 C H42 H 1 7.044 0.00 . . . . . . A 5 C H42 . 34991 1
12 . 1 . 1 5 5 C N3 N 15 197.190 0.00 . 1 . . . . A 5 C N3 . 34991 1
13 . 1 . 1 5 5 C N4 N 15 97.774 0.01 . 1 . . . . A 5 C N4 . 34991 1
14 . 1 . 1 6 6 A H2 H 1 7.318 0.00 . 1 . . . . A 6 A H2 . 34991 1
15 . 1 . 1 6 6 A H62 H 1 6.358 0.00 . . . . . . A 6 A H62 . 34991 1
16 . 1 . 1 6 6 A N1 N 15 221.258 0.00 . 1 . . . . A 6 A N1 . 34991 1
17 . 1 . 1 6 6 A N6 N 15 84.173 0.00 . 1 . . . . A 6 A N6 . 34991 1
18 . 1 . 1 7 7 C H6 H 1 7.263 0.00 . 1 . . . . A 7 C H6 . 34991 1
19 . 1 . 1 7 7 C H41 H 1 8.240 0.00 . . . . . . A 7 C H41 . 34991 1
20 . 1 . 1 7 7 C H42 H 1 7.067 0.00 . . . . . . A 7 C H42 . 34991 1
21 . 1 . 1 7 7 C N3 N 15 196.362 0.00 . 1 . . . . A 7 C N3 . 34991 1
22 . 1 . 1 7 7 C N4 N 15 99.023 0.02 . 1 . . . . A 7 C N4 . 34991 1
23 . 1 . 1 13 13 G H1 H 1 13.155 0.00 . 1 . . . . A 13 G H1 . 34991 1
24 . 1 . 1 13 13 G N1 N 15 148.537 0.02 . 1 . . . . A 13 G N1 . 34991 1
25 . 1 . 1 14 14 U H3 H 1 13.671 0.01 . 1 . . . . A 14 U H3 . 34991 1
26 . 1 . 1 14 14 U N3 N 15 162.137 0.04 . 1 . . . . A 14 U N3 . 34991 1
27 . 1 . 1 15 15 G H1 H 1 11.707 0.00 . 1 . . . . A 15 G H1 . 34991 1
28 . 1 . 1 15 15 G H21 H 1 7.320 0.00 . . . . . . A 15 G H21 . 34991 1
29 . 1 . 1 15 15 G N1 N 15 146.186 0.02 . 1 . . . . A 15 G N1 . 34991 1
30 . 1 . 1 15 15 G N2 N 15 74.392 0.01 . 1 . . . . A 15 G N2 . 34991 1
31 . 1 . 1 16 16 A H2 H 1 7.048 0.00 . 1 . . . . A 16 A H2 . 34991 1
32 . 1 . 1 16 16 A H62 H 1 6.761 0.00 . . . . . . A 16 A H62 . 34991 1
33 . 1 . 1 16 16 A N1 N 15 220.687 0.00 . 1 . . . . A 16 A N1 . 34991 1
34 . 1 . 1 16 16 A N6 N 15 84.424 0.00 . 1 . . . . A 16 A N6 . 34991 1
35 . 1 . 1 17 17 A H2 H 1 7.769 0.00 . 1 . . . . A 17 A H2 . 34991 1
36 . 1 . 1 17 17 A H61 H 1 8.295 0.00 . . . . . . A 17 A H61 . 34991 1
37 . 1 . 1 17 17 A H62 H 1 6.785 0.00 . . . . . . A 17 A H62 . 34991 1
38 . 1 . 1 17 17 A N1 N 15 222.035 0.00 . 1 . . . . A 17 A N1 . 34991 1
39 . 1 . 1 17 17 A N6 N 15 86.168 0.00 . 1 . . . . A 17 A N6 . 34991 1
40 . 1 . 1 18 18 C H6 H 1 7.420 0.00 . 1 . . . . A 18 C H6 . 34991 1
41 . 1 . 1 18 18 C H41 H 1 8.382 0.00 . . . . . . A 18 C H41 . 34991 1
42 . 1 . 1 18 18 C H42 H 1 7.078 0.01 . . . . . . A 18 C H42 . 34991 1
43 . 1 . 1 18 18 C N3 N 15 198.078 0.00 . 1 . . . . A 18 C N3 . 34991 1
44 . 1 . 1 18 18 C N4 N 15 99.013 0.03 . 1 . . . . A 18 C N4 . 34991 1
45 . 1 . 1 19 19 C H6 H 1 7.449 0.00 . 1 . . . . A 19 C H6 . 34991 1
46 . 1 . 1 19 19 C H41 H 1 8.617 0.00 . . . . . . A 19 C H41 . 34991 1
47 . 1 . 1 19 19 C H42 H 1 7.072 0.00 . . . . . . A 19 C H42 . 34991 1
48 . 1 . 1 19 19 C N3 N 15 195.993 0.00 . 1 . . . . A 19 C N3 . 34991 1
49 . 1 . 1 19 19 C N4 N 15 99.175 0.05 . 1 . . . . A 19 C N4 . 34991 1
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