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 52504
_Assigned_chem_shift_list.ID 1
_Assigned_chem_shift_list.Name 1
_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 'trabs conformer'
_Assigned_chem_shift_list.Text_data_format .
_Assigned_chem_shift_list.Text_data .
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_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-13C HSQC' . . . 52504 1
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_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
1 $software_1 . . 52504 1
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_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 2 2 ZTR H H 1 7.36 0.05 . 1 . . . . . 2 ZTR H . 52504 1
2 . 1 . 1 2 2 ZTR H5 H 1 7.07 0.20 . 5 . . . . . 2 ZTR H5 . 52504 1
3 . 1 . 1 2 2 ZTR H6 H 1 7.07 0.20 . 5 . . . . . 2 ZTR H6 . 52504 1
4 . 1 . 1 2 2 ZTR H7 H 1 7.07 0.20 . 5 . . . . . 2 ZTR H7 . 52504 1
5 . 1 . 1 2 2 ZTR H8 H 1 7.07 0.20 . 5 . . . . . 2 ZTR H8 . 52504 1
6 . 1 . 1 2 2 ZTR H21 H 1 3.93 0.02 . 2 . . . . . 2 ZTR H21 . 52504 1
7 . 1 . 1 2 2 ZTR H22 H 1 4.54 0.02 . 2 . . . . . 2 ZTR H22 . 52504 1
8 . 1 . 1 2 2 ZTR H91 H 1 3.04 0.02 . 2 . . . . . 2 ZTR H91 . 52504 1
9 . 1 . 1 2 2 ZTR H92 H 1 3.18 0.02 . 2 . . . . . 2 ZTR H92 . 52504 1
10 . 1 . 1 2 2 ZTR C2 C 13 41.58 0.10 . 1 . . . . . 2 ZTR C2 . 52504 1
11 . 1 . 1 2 2 ZTR C9 C 13 38.2 0.50 . 5 . . . . . 2 ZTR C9 . 52504 1
12 . 1 . 1 3 3 PRO HA H 1 4.24 0.13 . 5 . . . . . 3 PRO HA . 52504 1
13 . 1 . 1 3 3 PRO HB2 H 1 1.87 0.12 . 5 . . . . . 3 PRO HB2 . 52504 1
14 . 1 . 1 3 3 PRO HB3 H 1 2.17 0.10 . 5 . . . . . 3 PRO HB3 . 52504 1
15 . 1 . 1 3 3 PRO HG2 H 1 1.91 0.10 . 5 . . . . . 3 PRO HG2 . 52504 1
16 . 1 . 1 3 3 PRO HG3 H 1 1.91 0.10 . 5 . . . . . 3 PRO HG3 . 52504 1
17 . 1 . 1 3 3 PRO HD2 H 1 3.40 0.12 . 5 . . . . . 3 PRO HD2 . 52504 1
18 . 1 . 1 3 3 PRO HD3 H 1 3.61 0.13 . 5 . . . . . 3 PRO HD3 . 52504 1
19 . 1 . 1 3 3 PRO CA C 13 60.7 0.60 . 5 . . . . . 3 PRO CA . 52504 1
20 . 1 . 1 3 3 PRO CB C 13 29.7 0.50 . 5 . . . . . 3 PRO CB . 52504 1
21 . 1 . 1 3 3 PRO CG C 13 24.10 0.80 . 5 . . . . . 3 PRO CG . 52504 1
22 . 1 . 1 3 3 PRO CD C 13 47.70 0.40 . 5 . . . . . 3 PRO CD . 52504 1
23 . 1 . 1 4 4 ZTR H H 1 8.20 0.30 . 5 . . . . . 4 ZTR H . 52504 1
24 . 1 . 1 4 4 ZTR H5 H 1 7.07 0.30 . 5 . . . . . 4 ZTR H5 . 52504 1
25 . 1 . 1 4 4 ZTR H6 H 1 7.07 0.30 . 5 . . . . . 4 ZTR H6 . 52504 1
26 . 1 . 1 4 4 ZTR H7 H 1 7.07 0.30 . 5 . . . . . 4 ZTR H7 . 52504 1
27 . 1 . 1 4 4 ZTR H8 H 1 7.07 0.30 . 5 . . . . . 4 ZTR H8 . 52504 1
28 . 1 . 1 4 4 ZTR H21 H 1 2.79 0.36 . 5 . . . . . 4 ZTR H21 . 52504 1
29 . 1 . 1 4 4 ZTR H22 H 1 3.74 0.24 . 5 . . . . . 4 ZTR H22 . 52504 1
30 . 1 . 1 4 4 ZTR H91 H 1 3.21 0.20 . 5 . . . . . 4 ZTR H91 . 52504 1
31 . 1 . 1 4 4 ZTR H92 H 1 3.65 0.22 . 5 . . . . . 4 ZTR H92 . 52504 1
32 . 1 . 1 4 4 ZTR C2 C 13 40.90 0.70 . 5 . . . . . 4 ZTR C2 . 52504 1
33 . 1 . 1 4 4 ZTR C9 C 13 38.2 0.50 . 5 . . . . . 4 ZTR C9 . 52504 1
34 . 1 . 1 4 4 ZTR N N 15 115.80 1.00 . 5 . . . . . 4 ZTR N . 52504 1
35 . 1 . 1 5 5 PRO HA H 1 4.24 0.13 . 5 . . . . . 5 PRO HA . 52504 1
36 . 1 . 1 5 5 PRO HB2 H 1 1.87 0.12 . 5 . . . . . 5 PRO HB2 . 52504 1
37 . 1 . 1 5 5 PRO HB3 H 1 2.17 0.10 . 5 . . . . . 5 PRO HB3 . 52504 1
38 . 1 . 1 5 5 PRO HG2 H 1 1.91 0.10 . 5 . . . . . 5 PRO HG2 . 52504 1
39 . 1 . 1 5 5 PRO HG3 H 1 1.91 0.10 . 5 . . . . . 5 PRO HG3 . 52504 1
40 . 1 . 1 5 5 PRO HD2 H 1 3.40 0.12 . 5 . . . . . 5 PRO HD2 . 52504 1
41 . 1 . 1 5 5 PRO HD3 H 1 3.61 0.13 . 5 . . . . . 5 PRO HD3 . 52504 1
42 . 1 . 1 5 5 PRO CA C 13 60.7 0.60 . 5 . . . . . 5 PRO CA . 52504 1
43 . 1 . 1 5 5 PRO CB C 13 29.7 0.50 . 5 . . . . . 5 PRO CB . 52504 1
44 . 1 . 1 5 5 PRO CG C 13 24.10 0.80 . 5 . . . . . 5 PRO CG . 52504 1
45 . 1 . 1 5 5 PRO CD C 13 47.70 0.40 . 5 . . . . . 5 PRO CD . 52504 1
46 . 1 . 1 22 22 NME N2 N 15 104.5 0.3 . 2 . . . . . 22 NME N2 . 52504 1
47 . 1 . 1 22 22 NME NH21 N 15 6.65 0.03 . 2 . . . . . 22 NME NH21 . 52504 1
48 . 1 . 1 22 22 NME NH22 N 15 7.60 0.03 . 2 . . . . . 22 NME NH22 . 52504 1
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