Content for NMR-STAR saveframe, "assigned_chemical_shifts_2"
save_assigned_chemical_shifts_2
_Assigned_chem_shift_list.Sf_category assigned_chemical_shifts
_Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts_2
_Assigned_chem_shift_list.Entry_ID 50600
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'reference peptide containing Asp-Pro at a pH value of 7.4'
_Assigned_chem_shift_list.Sample_condition_list_ID 2
_Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_2
_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 .
_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
2 '2D 1H-13C HSQC' . . . 50600 2
4 '2D 1H-1H COSY' . . . 50600 2
6 '2D 1H-1H TOCSY' . . . 50600 2
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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 . . 50600 2
2 $software_2 . . 50600 2
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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 1 1 ACE H H 1 2.067 0.005 . 1 . . . . . 1 ACE H . 50600 2
2 . 1 . 1 1 1 ACE CH3 C 13 24.467 0.100 . 1 . . . . . 1 ACE CH3 . 50600 2
3 . 1 . 1 1 1 ACE C C 13 177.501 0.100 . 1 . . . . . 1 ACE C . 50600 2
4 . 1 . 1 2 2 GLY HA2 H 1 3.960 0.005 . 1 . . . . . 2 GLY HA . 50600 2
5 . 1 . 1 2 2 GLY HA3 H 1 3.960 0.005 . 1 . . . . . 2 GLY HA . 50600 2
6 . 1 . 1 2 2 GLY C C 13 174.783 0.100 . 1 . . . . . 2 GLY C . 50600 2
7 . 1 . 1 2 2 GLY CA C 13 45.317 0.100 . 5 . . . . . 2 GLY CA . 50600 2
8 . 1 . 1 3 3 GLY HA2 H 1 3.962 0.005 . 1 . . . . . 3 GLY HA . 50600 2
9 . 1 . 1 3 3 GLY HA3 H 1 3.962 0.005 . 1 . . . . . 3 GLY HA . 50600 2
10 . 1 . 1 3 3 GLY C C 13 173.580 0.100 . 1 . . . . . 3 GLY C . 50600 2
11 . 1 . 1 3 3 GLY CA C 13 44.783 0.100 . 5 . . . . . 3 GLY CA . 50600 2
12 . 1 . 1 4 4 ASP HA H 1 4.889 0.005 . 1 . . . . . 4 ASP HA . 50600 2
13 . 1 . 1 4 4 ASP HB2 H 1 2.727 0.005 . 2 . . . . . 4 ASP HB2 . 50600 2
14 . 1 . 1 4 4 ASP HB3 H 1 2.559 0.005 . 2 . . . . . 4 ASP HB3 . 50600 2
15 . 1 . 1 4 4 ASP C C 13 175.123 0.100 . 1 . . . . . 4 ASP C . 50600 2
16 . 1 . 1 4 4 ASP CA C 13 52.423 0.100 . 1 . . . . . 4 ASP CA . 50600 2
17 . 1 . 1 4 4 ASP CB C 13 41.331 0.100 . 1 . . . . . 4 ASP CB . 50600 2
18 . 1 . 1 4 4 ASP CG C 13 180.074 0.100 . 1 . . . . . 4 ASP CG . 50600 2
19 . 1 . 1 5 5 PRO HA H 1 4.445 0.005 . 1 . . . . . 5 PRO HA . 50600 2
20 . 1 . 1 5 5 PRO HB2 H 1 2.296 0.005 . 2 . . . . . 5 PRO HB2 . 50600 2
21 . 1 . 1 5 5 PRO HB3 H 1 2.010 0.005 . 2 . . . . . 5 PRO HB3 . 50600 2
22 . 1 . 1 5 5 PRO HG2 H 1 2.043 0.005 . 1 . . . . . 5 PRO HG . 50600 2
23 . 1 . 1 5 5 PRO HG3 H 1 2.043 0.005 . 1 . . . . . 5 PRO HG . 50600 2
24 . 1 . 1 5 5 PRO HD2 H 1 3.886 0.005 . 2 . . . . . 5 PRO HD2 . 50600 2
25 . 1 . 1 5 5 PRO HD3 H 1 3.790 0.005 . 2 . . . . . 5 PRO HD3 . 50600 2
26 . 1 . 1 5 5 PRO C C 13 177.700 0.100 . 1 . . . . . 5 PRO C . 50600 2
27 . 1 . 1 5 5 PRO CA C 13 63.879 0.100 . 1 . . . . . 5 PRO CA . 50600 2
28 . 1 . 1 5 5 PRO CB C 13 32.069 0.100 . 1 . . . . . 5 PRO CB . 50600 2
29 . 1 . 1 5 5 PRO CG C 13 27.300 0.100 . 1 . . . . . 5 PRO CG . 50600 2
30 . 1 . 1 5 5 PRO CD C 13 50.849 0.100 . 1 . . . . . 5 PRO CD . 50600 2
31 . 1 . 1 6 6 GLY HA2 H 1 3.995 0.005 . 1 . . . . . 6 GLY HA . 50600 2
32 . 1 . 1 6 6 GLY HA3 H 1 3.995 0.005 . 1 . . . . . 6 GLY HA . 50600 2
33 . 1 . 1 6 6 GLY C C 13 174.630 0.100 . 1 . . . . . 6 GLY C . 50600 2
34 . 1 . 1 6 6 GLY CA C 13 45.355 0.100 . 1 . . . . . 6 GLY CA . 50600 2
35 . 1 . 1 7 7 GLY HA2 H 1 3.936 0.005 . 1 . . . . . 7 GLY HA . 50600 2
36 . 1 . 1 7 7 GLY HA3 H 1 3.936 0.005 . 1 . . . . . 7 GLY HA . 50600 2
37 . 1 . 1 7 7 GLY C C 13 176.798 0.100 . 1 . . . . . 7 GLY C . 50600 2
38 . 1 . 1 7 7 GLY CA C 13 44.875 0.100 . 1 . . . . . 7 GLY CA . 50600 2
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_Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID
_Ambiguous_atom_chem_shift.Atom_chem_shift_ID
_Ambiguous_atom_chem_shift.Entry_ID
_Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID
1 7 50600 2
1 11 50600 2
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