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 50599
_Assigned_chem_shift_list.ID 2
_Assigned_chem_shift_list.Name 'reference peptide containing N-term Pro at a pH value of 7.4'
_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 .
_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' . . . 50599 2
4 '2D 1H-1H COSY' . . . 50599 2
6 '2D 1H-1H TOCSY' . . . 50599 2
7 '2D 1H-13C HMBC' . . . 50599 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 . . 50599 2
2 $software_2 . . 50599 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 PRO HA H 1 4.410 0.005 . 1 . . . . . 1 PRO HA . 50599 2
2 . 1 . 1 1 1 PRO HB2 H 1 2.470 0.005 . 2 . . . . . 1 PRO HB2 . 50599 2
3 . 1 . 1 1 1 PRO HB3 H 1 2.088 0.005 . 2 . . . . . 1 PRO HB3 . 50599 2
4 . 1 . 1 1 1 PRO HG2 H 1 2.071 0.005 . 1 . . . . . 1 PRO HG . 50599 2
5 . 1 . 1 1 1 PRO HG3 H 1 2.071 0.005 . 1 . . . . . 1 PRO HG . 50599 2
6 . 1 . 1 1 1 PRO HD2 H 1 3.410 0.005 . 2 . . . . . 1 PRO HD2 . 50599 2
7 . 1 . 1 1 1 PRO HD3 H 1 3.390 0.005 . 2 . . . . . 1 PRO HD3 . 50599 2
8 . 1 . 1 1 1 PRO C C 13 173.418 0.100 . 1 . . . . . 1 PRO C . 50599 2
9 . 1 . 1 1 1 PRO CA C 13 62.616 0.100 . 1 . . . . . 1 PRO CA . 50599 2
10 . 1 . 1 1 1 PRO CB C 13 32.371 0.101 . 1 . . . . . 1 PRO CB . 50599 2
11 . 1 . 1 1 1 PRO CG C 13 26.717 0.100 . 1 . . . . . 1 PRO CG . 50599 2
12 . 1 . 1 1 1 PRO CD C 13 49.257 0.101 . 1 . . . . . 1 PRO CD . 50599 2
13 . 1 . 1 2 2 GLY HA2 H 1 4.081 0.005 . 1 . . . . . 2 GLY HA . 50599 2
14 . 1 . 1 2 2 GLY HA3 H 1 4.081 0.005 . 1 . . . . . 2 GLY HA . 50599 2
15 . 1 . 1 2 2 GLY C C 13 174.250 0.100 . 1 . . . . . 2 GLY C . 50599 2
16 . 1 . 1 2 2 GLY CA C 13 44.250 0.100 . 1 . . . . . 2 GLY CA . 50599 2
17 . 1 . 1 3 3 GLY HA2 H 1 4.020 0.005 . 1 . . . . . 3 GLY HA . 50599 2
18 . 1 . 1 3 3 GLY HA3 H 1 4.020 0.005 . 1 . . . . . 3 GLY HA . 50599 2
19 . 1 . 1 3 3 GLY C C 13 174.562 0.100 . 1 . . . . . 3 GLY C . 50599 2
20 . 1 . 1 3 3 GLY CA C 13 45.210 0.100 . 1 . . . . . 3 GLY CA . 50599 2
21 . 1 . 1 4 4 GLY HA2 H 1 3.946 0.005 . 1 . . . . . 4 GLY HA . 50599 2
22 . 1 . 1 4 4 GLY HA3 H 1 3.946 0.005 . 1 . . . . . 4 GLY HA . 50599 2
23 . 1 . 1 4 4 GLY C C 13 176.718 0.100 . 1 . . . . . 4 GLY C . 50599 2
24 . 1 . 1 4 4 GLY CA C 13 44.754 0.100 . 1 . . . . . 4 GLY CA . 50599 2
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save_