data_30022 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 30022 _Entry.Title ; Solution structure of porcine lactoferricin ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2016-02-24 _Entry.Accession_date 2016-02-24 _Entry.Last_release_date 2016-03-02 _Entry.Original_release_date 2016-03-02 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1.2.6 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.ORCID _Entry_author.Entry_ID 1 M. Chan M. S. . . 30022 2 M. Tse M. K. . . 30022 3 K. Lo K. C. . . 30022 4 K. Sze K. H. . . 30022 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID lactoferricin . 30022 porcine . 30022 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 30022 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 183 30022 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2017-02-27 . original BMRB . 30022 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 30013 'porcinelactoferricin in TFE' 30022 PDB 5ID5 'BMRB Entry Tracking System' 30022 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 30022 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of porcine lactoferricin ; _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev . _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD 0353 _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Chan M. S. . . 30022 1 2 M. Tse M. K. . . 30022 1 3 K. Lo K. C. . . 30022 1 4 K. Sze K. H. . . 30022 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 30022 _Assembly.ID 1 _Assembly.Name Lactoferrin _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 entity_1 1 $entity_1 A A yes . . . . . . 30022 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity_1 _Entity.Sf_category entity _Entity.Sf_framecode entity_1 _Entity.Entry_ID 30022 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name Lactoferrin _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; SKCRQWQSKIRRTNPIFCIR RASPT ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer no _Entity.Nstd_chirality . _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 25 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state . _Entity.Src_method syn _Entity.Parent_entity_ID 1 _Entity.Fragment 'UNP residues 36-60' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3040.595 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 1 SER . 30022 1 2 2 LYS . 30022 1 3 3 CYS . 30022 1 4 4 ARG . 30022 1 5 5 GLN . 30022 1 6 6 TRP . 30022 1 7 7 GLN . 30022 1 8 8 SER . 30022 1 9 9 LYS . 30022 1 10 10 ILE . 30022 1 11 11 ARG . 30022 1 12 12 ARG . 30022 1 13 13 THR . 30022 1 14 14 ASN . 30022 1 15 15 PRO . 30022 1 16 16 ILE . 30022 1 17 17 PHE . 30022 1 18 18 CYS . 30022 1 19 19 ILE . 30022 1 20 20 ARG . 30022 1 21 21 ARG . 30022 1 22 22 ALA . 30022 1 23 23 SER . 30022 1 24 24 PRO . 30022 1 25 25 THR . 30022 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . SER 1 1 30022 1 . LYS 2 2 30022 1 . CYS 3 3 30022 1 . ARG 4 4 30022 1 . GLN 5 5 30022 1 . TRP 6 6 30022 1 . GLN 7 7 30022 1 . SER 8 8 30022 1 . LYS 9 9 30022 1 . ILE 10 10 30022 1 . ARG 11 11 30022 1 . ARG 12 12 30022 1 . THR 13 13 30022 1 . ASN 14 14 30022 1 . PRO 15 15 30022 1 . ILE 16 16 30022 1 . PHE 17 17 30022 1 . CYS 18 18 30022 1 . ILE 19 19 30022 1 . ARG 20 20 30022 1 . ARG 21 21 30022 1 . ALA 22 22 30022 1 . SER 23 23 30022 1 . PRO 24 24 30022 1 . THR 25 25 30022 1 stop_ save_ #################### # Natural source # #################### save_natural_source _Entity_natural_src_list.Sf_category natural_source _Entity_natural_src_list.Sf_framecode natural_source _Entity_natural_src_list.Entry_ID 30022 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity_1 . 9823 organism . 'Sus scrofa' Pig . . Eukaryota Metazoa Sus scrofa . . . . . . . . . . . . . 30022 1 stop_ save_ ######################### # Experimental source # ######################### save_experimental_source _Entity_experimental_src_list.Sf_category experimental_source _Entity_experimental_src_list.Sf_framecode experimental_source _Entity_experimental_src_list.Entry_ID 30022 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity_1 . 'chemical synthesis' . . . . . . . . . . . . . . . . 30022 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 30022 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM 1H porcine lactoferricin, trifluoroethanol/water' _Sample.Aggregate_sample_number . _Sample.Solvent_system trifluoroethanol/water _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'porcine lactoferricin' 'natural abundance' . . 1 $entity_1 . . 1 . . mM . . . . 30022 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 30022 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0 . mM 30022 1 pH 7.2 . pH 30022 1 pressure 1 . atm 30022 1 temperature 298 . K 30022 1 stop_ save_ ############################ # Computer software used # ############################ save_software_1 _Software.Sf_category software _Software.Sf_framecode software_1 _Software.Entry_ID 30022 _Software.ID 1 _Software.Name AMBER _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Case, Darden, Cheatham III, Simmerling, Wang, Duke, Luo, ... and Kollman' . . 30022 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 30022 1 stop_ save_ save_software_2 _Software.Sf_category software _Software.Sf_framecode software_2 _Software.Entry_ID 30022 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 30022 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure calculation' 30022 2 stop_ save_ save_software_3 _Software.Sf_category software _Software.Sf_framecode software_3 _Software.Entry_ID 30022 _Software.ID 3 _Software.Name SPARKY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 30022 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 30022 3 stop_ save_ save_software_4 _Software.Sf_category software _Software.Sf_framecode software_4 _Software.Entry_ID 30022 _Software.ID 4 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 30022 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 30022 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 30022 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 30022 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker Avance . 600 . . . 30022 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 30022 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 'Proton 1D' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30022 1 2 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30022 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30022 1 4 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $NMR_spectrometer_1 . . . . . . . . . . . . . . . . 30022 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_reference_1 _Chem_shift_reference.Entry_ID 30022 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 TSP 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . 30022 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### 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 30022 _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_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 . 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 'Proton 1D' . . . 30022 1 stop_ loop_ _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 4 $software_4 . . 30022 1 stop_ 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 SER HA H 1 4.025 0.000 . . . . 1 A 1 SER HA . 30022 1 2 . 1 1 1 1 SER HB2 H 1 3.856 0.000 . . . . 1 A 1 SER HB2 . 30022 1 3 . 1 1 1 1 SER HB3 H 1 3.856 0.000 . . . . 1 A 1 SER HB3 . 30022 1 4 . 1 1 2 2 LYS H H 1 8.483 0.001 . . . . 1 A 2 LYS H . 30022 1 5 . 1 1 2 2 LYS HA H 1 4.036 0.002 . . . . 1 A 2 LYS HA . 30022 1 6 . 1 1 2 2 LYS HB2 H 1 1.582 0.005 . . . . 1 A 2 LYS HB2 . 30022 1 7 . 1 1 2 2 LYS HB3 H 1 1.582 0.005 . . . . 1 A 2 LYS HB3 . 30022 1 8 . 1 1 2 2 LYS HG2 H 1 1.284 0.002 . . . . 1 A 2 LYS HG2 . 30022 1 9 . 1 1 2 2 LYS HG3 H 1 1.206 0.003 . . . . 1 A 2 LYS HG3 . 30022 1 10 . 1 1 2 2 LYS HD2 H 1 1.454 0.004 . . . . 1 A 2 LYS HD2 . 30022 1 11 . 1 1 2 2 LYS HD3 H 1 1.454 0.004 . . . . 1 A 2 LYS HD3 . 30022 1 12 . 1 1 2 2 LYS HE2 H 1 2.715 0.002 . . . . 1 A 2 LYS HE2 . 30022 1 13 . 1 1 2 2 LYS HE3 H 1 2.715 0.002 . . . . 1 A 2 LYS HE3 . 30022 1 14 . 1 1 2 2 LYS HZ1 H 1 7.125 0.002 . . . . 1 A 2 LYS HZ1 . 30022 1 15 . 1 1 2 2 LYS HZ2 H 1 7.125 0.002 . . . . 1 A 2 LYS HZ2 . 30022 1 16 . 1 1 2 2 LYS HZ3 H 1 7.125 0.002 . . . . 1 A 2 LYS HZ3 . 30022 1 17 . 1 1 3 3 CYS H H 1 7.692 0.000 . . . . 1 A 3 CYS H . 30022 1 18 . 1 1 3 3 CYS HA H 1 4.067 0.003 . . . . 1 A 3 CYS HA . 30022 1 19 . 1 1 3 3 CYS HB2 H 1 2.737 0.001 . . . . 1 A 3 CYS HB2 . 30022 1 20 . 1 1 3 3 CYS HB3 H 1 1.708 0.001 . . . . 1 A 3 CYS HB3 . 30022 1 21 . 1 1 4 4 ARG H H 1 7.607 0.000 . . . . 1 A 4 ARG H . 30022 1 22 . 1 1 4 4 ARG HA H 1 3.895 0.000 . . . . 1 A 4 ARG HA . 30022 1 23 . 1 1 4 4 ARG HB2 H 1 1.646 0.004 . . . . 1 A 4 ARG HB2 . 30022 1 24 . 1 1 4 4 ARG HB3 H 1 1.646 0.004 . . . . 1 A 4 ARG HB3 . 30022 1 25 . 1 1 4 4 ARG HG2 H 1 1.502 0.003 . . . . 1 A 4 ARG HG2 . 30022 1 26 . 1 1 4 4 ARG HG3 H 1 1.457 0.005 . . . . 1 A 4 ARG HG3 . 30022 1 27 . 1 1 4 4 ARG HD2 H 1 2.975 0.002 . . . . 1 A 4 ARG HD2 . 30022 1 28 . 1 1 4 4 ARG HD3 H 1 2.975 0.002 . . . . 1 A 4 ARG HD3 . 30022 1 29 . 1 1 4 4 ARG HE H 1 6.825 0.000 . . . . 1 A 4 ARG HE . 30022 1 30 . 1 1 5 5 GLN H H 1 7.924 0.001 . . . . 1 A 5 GLN H . 30022 1 31 . 1 1 5 5 GLN HA H 1 3.811 0.002 . . . . 1 A 5 GLN HA . 30022 1 32 . 1 1 5 5 GLN HB2 H 1 2.000 0.002 . . . . 1 A 5 GLN HB2 . 30022 1 33 . 1 1 5 5 GLN HB3 H 1 1.946 0.004 . . . . 1 A 5 GLN HB3 . 30022 1 34 . 1 1 5 5 GLN HG2 H 1 2.200 0.004 . . . . 1 A 5 GLN HG2 . 30022 1 35 . 1 1 5 5 GLN HG3 H 1 2.200 0.004 . . . . 1 A 5 GLN HG3 . 30022 1 36 . 1 1 5 5 GLN HE21 H 1 6.802 0.000 . . . . 1 A 5 GLN HE21 . 30022 1 37 . 1 1 5 5 GLN HE22 H 1 5.951 0.000 . . . . 1 A 5 GLN HE22 . 30022 1 38 . 1 1 6 6 TRP H H 1 7.907 0.000 . . . . 1 A 6 TRP H . 30022 1 39 . 1 1 6 6 TRP HA H 1 4.234 0.002 . . . . 1 A 6 TRP HA . 30022 1 40 . 1 1 6 6 TRP HB2 H 1 3.165 0.000 . . . . 1 A 6 TRP HB2 . 30022 1 41 . 1 1 6 6 TRP HB3 H 1 3.165 0.000 . . . . 1 A 6 TRP HB3 . 30022 1 42 . 1 1 6 6 TRP HD1 H 1 6.910 0.000 . . . . 1 A 6 TRP HD1 . 30022 1 43 . 1 1 6 6 TRP HE1 H 1 9.045 0.000 . . . . 1 A 6 TRP HE1 . 30022 1 44 . 1 1 6 6 TRP HE3 H 1 7.321 0.001 . . . . 1 A 6 TRP HE3 . 30022 1 45 . 1 1 6 6 TRP HZ2 H 1 7.172 0.001 . . . . 1 A 6 TRP HZ2 . 30022 1 46 . 1 1 6 6 TRP HZ3 H 1 6.854 0.001 . . . . 1 A 6 TRP HZ3 . 30022 1 47 . 1 1 6 6 TRP HH2 H 1 6.948 0.001 . . . . 1 A 6 TRP HH2 . 30022 1 48 . 1 1 7 7 GLN H H 1 8.041 0.002 . . . . 1 A 7 GLN H . 30022 1 49 . 1 1 7 7 GLN HA H 1 3.595 0.002 . . . . 1 A 7 GLN HA . 30022 1 50 . 1 1 7 7 GLN HB2 H 1 1.922 0.006 . . . . 1 A 7 GLN HB2 . 30022 1 51 . 1 1 7 7 GLN HB3 H 1 1.840 0.000 . . . . 1 A 7 GLN HB3 . 30022 1 52 . 1 1 7 7 GLN HG2 H 1 2.196 0.003 . . . . 1 A 7 GLN HG2 . 30022 1 53 . 1 1 7 7 GLN HG3 H 1 2.061 0.002 . . . . 1 A 7 GLN HG3 . 30022 1 54 . 1 1 7 7 GLN HE21 H 1 6.425 0.000 . . . . 1 A 7 GLN HE21 . 30022 1 55 . 1 1 7 7 GLN HE22 H 1 5.883 0.000 . . . . 1 A 7 GLN HE22 . 30022 1 56 . 1 1 8 8 SER H H 1 7.771 0.001 . . . . 1 A 8 SER H . 30022 1 57 . 1 1 8 8 SER HA H 1 3.894 0.003 . . . . 1 A 8 SER HA . 30022 1 58 . 1 1 8 8 SER HB2 H 1 3.810 0.003 . . . . 1 A 8 SER HB2 . 30022 1 59 . 1 1 8 8 SER HB3 H 1 3.769 0.002 . . . . 1 A 8 SER HB3 . 30022 1 60 . 1 1 9 9 LYS H H 1 7.495 0.002 . . . . 1 A 9 LYS H . 30022 1 61 . 1 1 9 9 LYS HA H 1 3.764 0.003 . . . . 1 A 9 LYS HA . 30022 1 62 . 1 1 9 9 LYS HB2 H 1 1.705 0.001 . . . . 1 A 9 LYS HB2 . 30022 1 63 . 1 1 9 9 LYS HB3 H 1 1.705 0.001 . . . . 1 A 9 LYS HB3 . 30022 1 64 . 1 1 9 9 LYS HG2 H 1 1.133 0.002 . . . . 1 A 9 LYS HG2 . 30022 1 65 . 1 1 9 9 LYS HG3 H 1 1.133 0.002 . . . . 1 A 9 LYS HG3 . 30022 1 66 . 1 1 9 9 LYS HD2 H 1 1.375 0.003 . . . . 1 A 9 LYS HD2 . 30022 1 67 . 1 1 9 9 LYS HD3 H 1 1.304 0.007 . . . . 1 A 9 LYS HD3 . 30022 1 68 . 1 1 9 9 LYS HE2 H 1 2.657 0.002 . . . . 1 A 9 LYS HE2 . 30022 1 69 . 1 1 9 9 LYS HE3 H 1 2.657 0.002 . . . . 1 A 9 LYS HE3 . 30022 1 70 . 1 1 9 9 LYS HZ1 H 1 7.035 0.004 . . . . 1 A 9 LYS HZ1 . 30022 1 71 . 1 1 9 9 LYS HZ2 H 1 7.035 0.004 . . . . 1 A 9 LYS HZ2 . 30022 1 72 . 1 1 9 9 LYS HZ3 H 1 7.035 0.004 . . . . 1 A 9 LYS HZ3 . 30022 1 73 . 1 1 10 10 ILE H H 1 7.818 0.001 . . . . 1 A 10 ILE H . 30022 1 74 . 1 1 10 10 ILE HA H 1 3.459 0.001 . . . . 1 A 10 ILE HA . 30022 1 75 . 1 1 10 10 ILE HB H 1 1.573 0.004 . . . . 1 A 10 ILE HB . 30022 1 76 . 1 1 10 10 ILE HG12 H 1 1.164 0.001 . . . . 1 A 10 ILE HG12 . 30022 1 77 . 1 1 10 10 ILE HG13 H 1 0.818 0.006 . . . . 1 A 10 ILE HG13 . 30022 1 78 . 1 1 10 10 ILE HG21 H 1 0.579 0.004 . . . . 1 A 10 ILE HG21 . 30022 1 79 . 1 1 10 10 ILE HG22 H 1 0.579 0.004 . . . . 1 A 10 ILE HG22 . 30022 1 80 . 1 1 10 10 ILE HG23 H 1 0.579 0.004 . . . . 1 A 10 ILE HG23 . 30022 1 81 . 1 1 10 10 ILE HD11 H 1 0.451 0.001 . . . . 1 A 10 ILE HD11 . 30022 1 82 . 1 1 10 10 ILE HD12 H 1 0.451 0.001 . . . . 1 A 10 ILE HD12 . 30022 1 83 . 1 1 10 10 ILE HD13 H 1 0.451 0.001 . . . . 1 A 10 ILE HD13 . 30022 1 84 . 1 1 11 11 ARG H H 1 7.681 0.001 . . . . 1 A 11 ARG H . 30022 1 85 . 1 1 11 11 ARG HA H 1 3.770 0.002 . . . . 1 A 11 ARG HA . 30022 1 86 . 1 1 11 11 ARG HB2 H 1 1.545 0.004 . . . . 1 A 11 ARG HB2 . 30022 1 87 . 1 1 11 11 ARG HB3 H 1 1.545 0.004 . . . . 1 A 11 ARG HB3 . 30022 1 88 . 1 1 11 11 ARG HG2 H 1 1.277 0.005 . . . . 1 A 11 ARG HG2 . 30022 1 89 . 1 1 11 11 ARG HG3 H 1 1.277 0.005 . . . . 1 A 11 ARG HG3 . 30022 1 90 . 1 1 11 11 ARG HD2 H 1 2.815 0.001 . . . . 1 A 11 ARG HD2 . 30022 1 91 . 1 1 11 11 ARG HD3 H 1 2.815 0.001 . . . . 1 A 11 ARG HD3 . 30022 1 92 . 1 1 11 11 ARG HE H 1 6.709 0.000 . . . . 1 A 11 ARG HE . 30022 1 93 . 1 1 12 12 ARG H H 1 7.436 0.003 . . . . 1 A 12 ARG H . 30022 1 94 . 1 1 12 12 ARG HA H 1 3.948 0.002 . . . . 1 A 12 ARG HA . 30022 1 95 . 1 1 12 12 ARG HB2 H 1 1.697 0.006 . . . . 1 A 12 ARG HB2 . 30022 1 96 . 1 1 12 12 ARG HB3 H 1 1.595 0.005 . . . . 1 A 12 ARG HB3 . 30022 1 97 . 1 1 12 12 ARG HG2 H 1 1.511 0.002 . . . . 1 A 12 ARG HG2 . 30022 1 98 . 1 1 12 12 ARG HG3 H 1 1.407 0.002 . . . . 1 A 12 ARG HG3 . 30022 1 99 . 1 1 12 12 ARG HD2 H 1 2.896 0.004 . . . . 1 A 12 ARG HD2 . 30022 1 100 . 1 1 12 12 ARG HD3 H 1 2.896 0.004 . . . . 1 A 12 ARG HD3 . 30022 1 101 . 1 1 12 12 ARG HE H 1 6.610 0.001 . . . . 1 A 12 ARG HE . 30022 1 102 . 1 1 13 13 THR H H 1 7.346 0.004 . . . . 1 A 13 THR H . 30022 1 103 . 1 1 13 13 THR HA H 1 4.103 0.002 . . . . 1 A 13 THR HA . 30022 1 104 . 1 1 13 13 THR HB H 1 1.011 0.002 . . . . 1 A 13 THR HB . 30022 1 105 . 1 1 14 14 ASN H H 1 7.542 0.001 . . . . 1 A 14 ASN H . 30022 1 106 . 1 1 14 14 ASN HA H 1 4.728 0.003 . . . . 1 A 14 ASN HA . 30022 1 107 . 1 1 14 14 ASN HB2 H 1 2.796 0.005 . . . . 1 A 14 ASN HB2 . 30022 1 108 . 1 1 14 14 ASN HB3 H 1 2.591 0.004 . . . . 1 A 14 ASN HB3 . 30022 1 109 . 1 1 14 14 ASN HD21 H 1 5.753 0.000 . . . . 1 A 14 ASN HD21 . 30022 1 110 . 1 1 14 14 ASN HD22 H 1 6.755 0.000 . . . . 1 A 14 ASN HD22 . 30022 1 111 . 1 1 15 15 PRO HA H 1 4.104 0.001 . . . . 1 A 15 PRO HA . 30022 1 112 . 1 1 15 15 PRO HB2 H 1 2.155 0.002 . . . . 1 A 15 PRO HB2 . 30022 1 113 . 1 1 15 15 PRO HB3 H 1 1.717 0.000 . . . . 1 A 15 PRO HB3 . 30022 1 114 . 1 1 15 15 PRO HG2 H 1 1.843 0.002 . . . . 1 A 15 PRO HG2 . 30022 1 115 . 1 1 15 15 PRO HG3 H 1 1.843 0.002 . . . . 1 A 15 PRO HG3 . 30022 1 116 . 1 1 15 15 PRO HD2 H 1 3.532 0.000 . . . . 1 A 15 PRO HD2 . 30022 1 117 . 1 1 15 15 PRO HD3 H 1 3.421 0.000 . . . . 1 A 15 PRO HD3 . 30022 1 118 . 1 1 16 16 ILE H H 1 7.443 0.001 . . . . 1 A 16 ILE H . 30022 1 119 . 1 1 16 16 ILE HA H 1 3.579 0.005 . . . . 1 A 16 ILE HA . 30022 1 120 . 1 1 16 16 ILE HB H 1 1.665 0.002 . . . . 1 A 16 ILE HB . 30022 1 121 . 1 1 16 16 ILE HG12 H 1 1.017 0.008 . . . . 1 A 16 ILE HG12 . 30022 1 122 . 1 1 16 16 ILE HG13 H 1 0.620 0.003 . . . . 1 A 16 ILE HG13 . 30022 1 123 . 1 1 16 16 ILE HG21 H 1 0.553 0.000 . . . . 1 A 16 ILE HG21 . 30022 1 124 . 1 1 16 16 ILE HG22 H 1 0.553 0.000 . . . . 1 A 16 ILE HG22 . 30022 1 125 . 1 1 16 16 ILE HG23 H 1 0.553 0.000 . . . . 1 A 16 ILE HG23 . 30022 1 126 . 1 1 16 16 ILE HD11 H 1 1.254 0.006 . . . . 1 A 16 ILE HD11 . 30022 1 127 . 1 1 16 16 ILE HD12 H 1 1.254 0.006 . . . . 1 A 16 ILE HD12 . 30022 1 128 . 1 1 16 16 ILE HD13 H 1 1.254 0.006 . . . . 1 A 16 ILE HD13 . 30022 1 129 . 1 1 17 17 PHE H H 1 7.277 0.002 . . . . 1 A 17 PHE H . 30022 1 130 . 1 1 17 17 PHE HA H 1 4.059 0.001 . . . . 1 A 17 PHE HA . 30022 1 131 . 1 1 17 17 PHE HB2 H 1 2.941 0.002 . . . . 1 A 17 PHE HB2 . 30022 1 132 . 1 1 17 17 PHE HB3 H 1 3.085 0.005 . . . . 1 A 17 PHE HB3 . 30022 1 133 . 1 1 17 17 PHE HD1 H 1 7.218 0.000 . . . . 1 A 17 PHE HD1 . 30022 1 134 . 1 1 17 17 PHE HD2 H 1 7.218 0.000 . . . . 1 A 17 PHE HD2 . 30022 1 135 . 1 1 17 17 PHE HE1 H 1 7.585 0.000 . . . . 1 A 17 PHE HE1 . 30022 1 136 . 1 1 17 17 PHE HE2 H 1 7.513 0.000 . . . . 1 A 17 PHE HE2 . 30022 1 137 . 1 1 17 17 PHE HZ H 1 7.104 0.000 . . . . 1 A 17 PHE HZ . 30022 1 138 . 1 1 18 18 CYS H H 1 7.596 0.002 . . . . 1 A 18 CYS H . 30022 1 139 . 1 1 18 18 CYS HA H 1 3.873 0.004 . . . . 1 A 18 CYS HA . 30022 1 140 . 1 1 18 18 CYS HB2 H 1 2.635 0.003 . . . . 1 A 18 CYS HB2 . 30022 1 141 . 1 1 18 18 CYS HB3 H 1 2.876 0.005 . . . . 1 A 18 CYS HB3 . 30022 1 142 . 1 1 19 19 ILE H H 1 7.890 0.001 . . . . 1 A 19 ILE H . 30022 1 143 . 1 1 19 19 ILE HA H 1 3.609 0.000 . . . . 1 A 19 ILE HA . 30022 1 144 . 1 1 19 19 ILE HB H 1 1.672 0.004 . . . . 1 A 19 ILE HB . 30022 1 145 . 1 1 19 19 ILE HG12 H 1 0.929 0.004 . . . . 1 A 19 ILE HG12 . 30022 1 146 . 1 1 19 19 ILE HG13 H 1 1.481 0.003 . . . . 1 A 19 ILE HG13 . 30022 1 147 . 1 1 19 19 ILE HG21 H 1 0.678 0.003 . . . . 1 A 19 ILE HG21 . 30022 1 148 . 1 1 19 19 ILE HG22 H 1 0.678 0.003 . . . . 1 A 19 ILE HG22 . 30022 1 149 . 1 1 19 19 ILE HG23 H 1 0.678 0.003 . . . . 1 A 19 ILE HG23 . 30022 1 150 . 1 1 19 19 ILE HD11 H 1 0.614 0.003 . . . . 1 A 19 ILE HD11 . 30022 1 151 . 1 1 19 19 ILE HD12 H 1 0.614 0.003 . . . . 1 A 19 ILE HD12 . 30022 1 152 . 1 1 19 19 ILE HD13 H 1 0.614 0.003 . . . . 1 A 19 ILE HD13 . 30022 1 153 . 1 1 20 20 ARG HB2 H 1 1.499 0.000 . . . . 1 A 20 ARG HB2 . 30022 1 154 . 1 1 20 20 ARG HB3 H 1 1.499 0.000 . . . . 1 A 20 ARG HB3 . 30022 1 155 . 1 1 20 20 ARG HG2 H 1 1.362 0.000 . . . . 1 A 20 ARG HG2 . 30022 1 156 . 1 1 20 20 ARG HG3 H 1 1.362 0.000 . . . . 1 A 20 ARG HG3 . 30022 1 157 . 1 1 20 20 ARG HD2 H 1 2.853 0.007 . . . . 1 A 20 ARG HD2 . 30022 1 158 . 1 1 20 20 ARG HD3 H 1 2.853 0.007 . . . . 1 A 20 ARG HD3 . 30022 1 159 . 1 1 21 21 ARG H H 1 7.847 0.003 . . . . 1 A 21 ARG H . 30022 1 160 . 1 1 21 21 ARG HB2 H 1 1.484 0.000 . . . . 1 A 21 ARG HB2 . 30022 1 161 . 1 1 21 21 ARG HB3 H 1 1.484 0.000 . . . . 1 A 21 ARG HB3 . 30022 1 162 . 1 1 21 21 ARG HG2 H 1 1.370 0.000 . . . . 1 A 21 ARG HG2 . 30022 1 163 . 1 1 21 21 ARG HG3 H 1 1.370 0.000 . . . . 1 A 21 ARG HG3 . 30022 1 164 . 1 1 21 21 ARG HD2 H 1 2.865 0.000 . . . . 1 A 21 ARG HD2 . 30022 1 165 . 1 1 21 21 ARG HD3 H 1 2.865 0.000 . . . . 1 A 21 ARG HD3 . 30022 1 166 . 1 1 21 21 ARG HE H 1 6.617 0.001 . . . . 1 A 21 ARG HE . 30022 1 167 . 1 1 22 22 ALA H H 1 7.405 0.003 . . . . 1 A 22 ALA H . 30022 1 168 . 1 1 22 22 ALA HA H 1 4.104 0.003 . . . . 1 A 22 ALA HA . 30022 1 169 . 1 1 22 22 ALA HB1 H 1 1.215 0.000 . . . . 1 A 22 ALA HB1 . 30022 1 170 . 1 1 22 22 ALA HB2 H 1 1.215 0.000 . . . . 1 A 22 ALA HB2 . 30022 1 171 . 1 1 22 22 ALA HB3 H 1 1.215 0.000 . . . . 1 A 22 ALA HB3 . 30022 1 172 . 1 1 23 23 SER H H 1 7.464 0.000 . . . . 1 A 23 SER H . 30022 1 173 . 1 1 23 23 SER HA H 1 4.127 0.000 . . . . 1 A 23 SER HA . 30022 1 174 . 1 1 23 23 SER HB2 H 1 3.711 0.000 . . . . 1 A 23 SER HB2 . 30022 1 175 . 1 1 23 23 SER HB3 H 1 3.711 0.000 . . . . 1 A 23 SER HB3 . 30022 1 176 . 1 1 24 24 PRO HB2 H 1 1.343 0.005 . . . . 1 A 24 PRO HB2 . 30022 1 177 . 1 1 24 24 PRO HB3 H 1 1.063 0.005 . . . . 1 A 24 PRO HB3 . 30022 1 178 . 1 1 24 24 PRO HG2 H 1 1.339 0.000 . . . . 1 A 24 PRO HG2 . 30022 1 179 . 1 1 24 24 PRO HG3 H 1 1.339 0.000 . . . . 1 A 24 PRO HG3 . 30022 1 180 . 1 1 24 24 PRO HD2 H 1 2.061 0.000 . . . . 1 A 24 PRO HD2 . 30022 1 181 . 1 1 24 24 PRO HD3 H 1 1.975 0.000 . . . . 1 A 24 PRO HD3 . 30022 1 182 . 1 1 25 25 THR HA H 1 4.327 0.000 . . . . 1 A 25 THR HA . 30022 1 183 . 1 1 25 25 THR HB H 1 2.005 0.004 . . . . 1 A 25 THR HB . 30022 1 stop_ save_