data_5735 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5735 _Entry.Title ; The Solution Structure of Rat Ab-(1-28) and its Interaction with Zinc: Insights into the Scarity of Amyloid Deposition in Aged Rat Brain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2003-03-13 _Entry.Accession_date 2003-03-14 _Entry.Last_release_date 2004-10-18 _Entry.Original_release_date 2004-10-18 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _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.Entry_ID 1 J. Huang . . . 5735 2 Y. Yao . . . 5735 3 W. Tang . . . 5735 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5735 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 182 5735 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 . . 2004-10-18 2003-03-13 original author . 5735 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5735 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15160315 _Citation.Full_citation . _Citation.Title ; The Solution Structure of Rat Abeta-(1-28) and its Interaction with Zinc ion: Insights into the Scarity of Amyloid Deposition in Aged Rat Brain ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biol. Inorg. Chem.' _Citation.Journal_name_full . _Citation.Journal_volume 9 _Citation.Journal_issue 5 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _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 627 _Citation.Page_last 635 _Citation.Year 2004 _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.Entry_ID _Citation_author.Citation_ID 1 J. Huang . . . 5735 1 2 Y. Yao . . . 5735 1 3 J. Lin . . . 5735 1 4 Y. Ye . H. . 5735 1 5 W. Sun . Y. . 5735 1 6 W. Tang . . . 5735 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID Glycoprotein 5735 1 Amyloid 5735 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_rat_amyloid_beta-peptide_1-28 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_rat_amyloid_beta-peptide_1-28 _Assembly.Entry_ID 5735 _Assembly.ID 1 _Assembly.Name 'rat amyloid beta-peptide 1-28' _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 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5735 1 stop_ 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 'rat amyloid beta-peptide (1-28)' 1 $Ab_(1-28) . . . native . . . . . 5735 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1NMJ . . . . . . 5735 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'rat amyloid beta-peptide 1-28' system 5735 1 'rat amyloid beta-peptide 1-28' abbreviation 5735 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Ab_(1-28) _Entity.Sf_category entity _Entity.Sf_framecode Ab_(1-28) _Entity.Entry_ID 5735 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'rat amyloid beta-peptide (1-28)' _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; DAEFGHDSGFEVRHQKLVFF AEDVGSNK ; _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 . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 28 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID 1 _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no BMRB 17884 . rat_beta_amyloid . . . . . 57.14 18 100.00 100.00 1.77e-01 . . . . 5735 1 2 no PDB 1NMJ . "The Solution Structure Of Rat Ab-(1-28) And Its Interaction With Zinc: Insights Into The Scarity Of Amyloid Deposition In Aged " . . . . . 92.86 28 100.00 100.00 1.58e-08 . . . . 5735 1 3 no PDB 2LI9 . "Metal Binding Domain Of Rat Beta-Amyloid" . . . . . 57.14 18 100.00 100.00 1.77e-01 . . . . 5735 1 4 no DBJ BAC34997 . "unnamed protein product [Mus musculus]" . . . . . 100.00 218 100.00 100.00 2.66e-10 . . . . 5735 1 5 no DBJ BAC36369 . "unnamed protein product [Mus musculus]" . . . . . 100.00 384 100.00 100.00 9.49e-10 . . . . 5735 1 6 no DBJ BAE27986 . "unnamed protein product [Mus musculus]" . . . . . 100.00 695 100.00 100.00 2.17e-09 . . . . 5735 1 7 no DBJ BAE34927 . "unnamed protein product [Mus musculus]" . . . . . 100.00 752 100.00 100.00 1.33e-09 . . . . 5735 1 8 no DBJ BAE35313 . "unnamed protein product [Mus musculus]" . . . . . 100.00 752 100.00 100.00 1.72e-09 . . . . 5735 1 9 no EMBL CAA30488 . "unnamed protein product [Rattus rattus]" . . . . . 100.00 695 100.00 100.00 1.99e-09 . . . . 5735 1 10 no GB AAA37139 . "beta-amyloid protein [Mus musculus]" . . . . . 100.00 695 100.00 100.00 2.07e-09 . . . . 5735 1 11 no GB AAB40919 . "amyloid precursor protein [Mus musculus]" . . . . . 100.00 82 100.00 100.00 9.27e-11 . . . . 5735 1 12 no GB AAB41502 . "hippocampal amyloid precursor protein [Mus musculus]" . . . . . 100.00 695 100.00 100.00 2.17e-09 . . . . 5735 1 13 no GB AAB86608 . "Alzheimer's amyloid beta protein precursor [Cricetulus griseus]" . . . . . 100.00 79 100.00 100.00 6.88e-11 . . . . 5735 1 14 no GB AAH05490 . "App protein, partial [Mus musculus]" . . . . . 100.00 607 100.00 100.00 7.03e-09 . . . . 5735 1 15 no REF NP_001185752 . "amyloid beta A4 protein isoform 1 precursor [Mus musculus]" . . . . . 100.00 770 100.00 100.00 1.39e-09 . . . . 5735 1 16 no REF NP_001185753 . "amyloid beta A4 protein isoform 3 precursor [Mus musculus]" . . . . . 100.00 751 100.00 100.00 1.85e-09 . . . . 5735 1 17 no REF NP_001185754 . "amyloid beta A4 protein isoform 5 precursor [Mus musculus]" . . . . . 100.00 733 100.00 100.00 2.26e-09 . . . . 5735 1 18 no REF NP_001185755 . "amyloid beta A4 protein isoform 6 precursor [Mus musculus]" . . . . . 100.00 752 100.00 100.00 1.72e-09 . . . . 5735 1 19 no REF NP_031497 . "amyloid beta A4 protein isoform 2 precursor [Mus musculus]" . . . . . 100.00 695 100.00 100.00 2.17e-09 . . . . 5735 1 20 no SP P08592 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 100.00 100.00 1.39e-09 . . . . 5735 1 21 no SP P12023 . "RecName: Full=Amyloid beta A4 protein; AltName: Full=ABPP; Short=APP; AltName: Full=Alzheimer disease amyloid A4 protein homolo" . . . . . 100.00 770 100.00 100.00 1.39e-09 . . . . 5735 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'rat amyloid beta-peptide (1-28)' common 5735 1 'Ab (1-28)' abbreviation 5735 1 stop_ 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 . ASP . 5735 1 2 . ALA . 5735 1 3 . GLU . 5735 1 4 . PHE . 5735 1 5 . GLY . 5735 1 6 . HIS . 5735 1 7 . ASP . 5735 1 8 . SER . 5735 1 9 . GLY . 5735 1 10 . PHE . 5735 1 11 . GLU . 5735 1 12 . VAL . 5735 1 13 . ARG . 5735 1 14 . HIS . 5735 1 15 . GLN . 5735 1 16 . LYS . 5735 1 17 . LEU . 5735 1 18 . VAL . 5735 1 19 . PHE . 5735 1 20 . PHE . 5735 1 21 . ALA . 5735 1 22 . GLU . 5735 1 23 . ASP . 5735 1 24 . VAL . 5735 1 25 . GLY . 5735 1 26 . SER . 5735 1 27 . ASN . 5735 1 28 . LYS . 5735 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 . ASP 1 1 5735 1 . ALA 2 2 5735 1 . GLU 3 3 5735 1 . PHE 4 4 5735 1 . GLY 5 5 5735 1 . HIS 6 6 5735 1 . ASP 7 7 5735 1 . SER 8 8 5735 1 . GLY 9 9 5735 1 . PHE 10 10 5735 1 . GLU 11 11 5735 1 . VAL 12 12 5735 1 . ARG 13 13 5735 1 . HIS 14 14 5735 1 . GLN 15 15 5735 1 . LYS 16 16 5735 1 . LEU 17 17 5735 1 . VAL 18 18 5735 1 . PHE 19 19 5735 1 . PHE 20 20 5735 1 . ALA 21 21 5735 1 . GLU 22 22 5735 1 . ASP 23 23 5735 1 . VAL 24 24 5735 1 . GLY 25 25 5735 1 . SER 26 26 5735 1 . ASN 27 27 5735 1 . LYS 28 28 5735 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 5735 _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.Subvariant _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.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $Ab_(1-28) . 10116 organism . 'Rattus norvegicus' Rat . . Eukaryota Metazoa Rattus norvegicus . . . brain . . . . . . . . . . . . . . . . . 5735 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 5735 _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_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _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.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $Ab_(1-28) . vendor . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5735 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5735 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _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 'rat amyloid beta-peptide (1-28)' . . . 1 $Ab_(1-28) . . 2 . . mM . . . . 5735 1 2 DMSO . . . . . . . . 2.0 . mM . . . . 5735 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5735 _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 pD 6.8 0.3 n/a 5735 1 temperature 298 0.5 K 5735 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 5735 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5735 _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 spectrometer_1 Bruker DRX . 500 . . . 5735 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 5735 _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 '2D TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5735 1 2 DQF-COSY . . . . . . . . . . . 1 $sample_1 . . . 1 $sample_cond_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 5735 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5735 _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.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . 1 $entry_citation . . 1 $entry_citation 5735 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_chemical_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 5735 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _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 $sample_1 . 5735 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 ASP HB3 H 1 2.66 . . . . . . . . . . . 5735 1 2 . 1 1 1 1 ASP HB2 H 1 2.84 . . . . . . . . . . . 5735 1 3 . 1 1 1 1 ASP HA H 1 4.1 . . . . . . . . . . . 5735 1 4 . 1 1 2 2 ALA H H 1 8.59 . . . . . . . . . . . 5735 1 5 . 1 1 2 2 ALA HA H 1 4.32 . . . . . . . . . . . 5735 1 6 . 1 1 2 2 ALA HB1 H 1 1.18 . . . . . . . . . . . 5735 1 7 . 1 1 2 2 ALA HB2 H 1 1.18 . . . . . . . . . . . 5735 1 8 . 1 1 2 2 ALA HB3 H 1 1.18 . . . . . . . . . . . 5735 1 9 . 1 1 3 3 GLU H H 1 8.05 . . . . . . . . . . . 5735 1 10 . 1 1 3 3 GLU HB3 H 1 1.67 . . . . . . . . . . . 5735 1 11 . 1 1 3 3 GLU HG2 H 1 2.17 . . . . . . . . . . . 5735 1 12 . 1 1 3 3 GLU HA H 1 4.2 . . . . . . . . . . . 5735 1 13 . 1 1 3 3 GLU HB2 H 1 1.83 . . . . . . . . . . . 5735 1 14 . 1 1 4 4 PHE H H 1 7.94 . . . . . . . . . . . 5735 1 15 . 1 1 4 4 PHE HB3 H 1 2.79 . . . . . . . . . . . 5735 1 16 . 1 1 4 4 PHE HD1 H 1 7.23 . . . . . . . . . . . 5735 1 17 . 1 1 4 4 PHE HD2 H 1 7.23 . . . . . . . . . . . 5735 1 18 . 1 1 4 4 PHE HA H 1 4.52 . . . . . . . . . . . 5735 1 19 . 1 1 4 4 PHE HB2 H 1 3.02 . . . . . . . . . . . 5735 1 20 . 1 1 5 5 GLY H H 1 8.32 . . . . . . . . . . . 5735 1 21 . 1 1 5 5 GLY HA2 H 1 3.78 . . . . . . . . . . . 5735 1 22 . 1 1 5 5 GLY HA3 H 1 3.72 . . . . . . . . . . . 5735 1 23 . 1 1 6 6 HIS H H 1 8.18 . . . . . . . . . . . 5735 1 24 . 1 1 6 6 HIS HB3 H 1 2.96 . . . . . . . . . . . 5735 1 25 . 1 1 6 6 HIS HD2 H 1 8.95 . . . . . . . . . . . 5735 1 26 . 1 1 6 6 HIS HE1 H 1 7.35 . . . . . . . . . . . 5735 1 27 . 1 1 6 6 HIS HA H 1 4.62 . . . . . . . . . . . 5735 1 28 . 1 1 6 6 HIS HB2 H 1 3.08 . . . . . . . . . . . 5735 1 29 . 1 1 7 7 ASP H H 1 8.43 . . . . . . . . . . . 5735 1 30 . 1 1 7 7 ASP HB3 H 1 2.52 . . . . . . . . . . . 5735 1 31 . 1 1 7 7 ASP HA H 1 4.63 . . . . . . . . . . . 5735 1 32 . 1 1 7 7 ASP HB2 H 1 2.78 . . . . . . . . . . . 5735 1 33 . 1 1 8 8 SER H H 1 8 . . . . . . . . . . . 5735 1 34 . 1 1 8 8 SER HB3 H 1 3.54 . . . . . . . . . . . 5735 1 35 . 1 1 8 8 SER HA H 1 4.24 . . . . . . . . . . . 5735 1 36 . 1 1 8 8 SER HB2 H 1 3.61 . . . . . . . . . . . 5735 1 37 . 1 1 9 9 GLY H H 1 8.04 . . . . . . . . . . . 5735 1 38 . 1 1 9 9 GLY HA2 H 1 3.72 . . . . . . . . . . . 5735 1 39 . 1 1 9 9 GLY HA3 H 1 3.63 . . . . . . . . . . . 5735 1 40 . 1 1 10 10 PHE H H 1 8.04 . . . . . . . . . . . 5735 1 41 . 1 1 10 10 PHE HB3 H 1 2.72 . . . . . . . . . . . 5735 1 42 . 1 1 10 10 PHE HD1 H 1 7.22 . . . . . . . . . . . 5735 1 43 . 1 1 10 10 PHE HD2 H 1 7.22 . . . . . . . . . . . 5735 1 44 . 1 1 10 10 PHE HA H 1 4.55 . . . . . . . . . . . 5735 1 45 . 1 1 10 10 PHE HB2 H 1 2.99 . . . . . . . . . . . 5735 1 46 . 1 1 11 11 GLU H H 1 8.27 . . . . . . . . . . . 5735 1 47 . 1 1 11 11 GLU HB3 H 1 1.72 . . . . . . . . . . . 5735 1 48 . 1 1 11 11 GLU HG2 H 1 2.26 . . . . . . . . . . . 5735 1 49 . 1 1 11 11 GLU HG3 H 1 2.26 . . . . . . . . . . . 5735 1 50 . 1 1 11 11 GLU HA H 1 4.33 . . . . . . . . . . . 5735 1 51 . 1 1 11 11 GLU HB2 H 1 1.89 . . . . . . . . . . . 5735 1 52 . 1 1 12 12 VAL H H 1 7.72 . . . . . . . . . . . 5735 1 53 . 1 1 12 12 VAL HG11 H 1 0.81 . . . . . . . . . . . 5735 1 54 . 1 1 12 12 VAL HG12 H 1 0.81 . . . . . . . . . . . 5735 1 55 . 1 1 12 12 VAL HG13 H 1 0.81 . . . . . . . . . . . 5735 1 56 . 1 1 12 12 VAL HG21 H 1 0.81 . . . . . . . . . . . 5735 1 57 . 1 1 12 12 VAL HG22 H 1 0.81 . . . . . . . . . . . 5735 1 58 . 1 1 12 12 VAL HG23 H 1 0.81 . . . . . . . . . . . 5735 1 59 . 1 1 12 12 VAL HA H 1 4.19 . . . . . . . . . . . 5735 1 60 . 1 1 12 12 VAL HB H 1 1.93 . . . . . . . . . . . 5735 1 61 . 1 1 13 13 ARG H H 1 8.17 . . . . . . . . . . . 5735 1 62 . 1 1 13 13 ARG HB3 H 1 1.51 . . . . . . . . . . . 5735 1 63 . 1 1 13 13 ARG HG2 H 1 1.43 . . . . . . . . . . . 5735 1 64 . 1 1 13 13 ARG HG3 H 1 1.43 . . . . . . . . . . . 5735 1 65 . 1 1 13 13 ARG HD2 H 1 3.08 . . . . . . . . . . . 5735 1 66 . 1 1 13 13 ARG HD3 H 1 3.08 . . . . . . . . . . . 5735 1 67 . 1 1 13 13 ARG HE H 1 7.55 . . . . . . . . . . . 5735 1 68 . 1 1 13 13 ARG HA H 1 4.23 . . . . . . . . . . . 5735 1 69 . 1 1 13 13 ARG HB2 H 1 1.63 . . . . . . . . . . . 5735 1 70 . 1 1 14 14 HIS H H 1 8.23 . . . . . . . . . . . 5735 1 71 . 1 1 14 14 HIS HB3 H 1 2.94 . . . . . . . . . . . 5735 1 72 . 1 1 14 14 HIS HD2 H 1 8.95 . . . . . . . . . . . 5735 1 73 . 1 1 14 14 HIS HE1 H 1 7.35 . . . . . . . . . . . 5735 1 74 . 1 1 14 14 HIS HA H 1 4.6 . . . . . . . . . . . 5735 1 75 . 1 1 14 14 HIS HB2 H 1 3.05 . . . . . . . . . . . 5735 1 76 . 1 1 15 15 GLN H H 1 8.11 . . . . . . . . . . . 5735 1 77 . 1 1 15 15 GLN HB3 H 1 1.74 . . . . . . . . . . . 5735 1 78 . 1 1 15 15 GLN HG2 H 1 2.10 . . . . . . . . . . . 5735 1 79 . 1 1 15 15 GLN HG3 H 1 2.10 . . . . . . . . . . . 5735 1 80 . 1 1 15 15 GLN HE21 H 1 7.30 . . . . . . . . . . . 5735 1 81 . 1 1 15 15 GLN HE22 H 1 6.87 . . . . . . . . . . . 5735 1 82 . 1 1 15 15 GLN HA H 1 4.23 . . . . . . . . . . . 5735 1 83 . 1 1 15 15 GLN HB2 H 1 1.86 . . . . . . . . . . . 5735 1 84 . 1 1 16 16 LYS H H 1 8.23 . . . . . . . . . . . 5735 1 85 . 1 1 16 16 LYS HB3 H 1 1.61 . . . . . . . . . . . 5735 1 86 . 1 1 16 16 LYS HG2 H 1 1.28 . . . . . . . . . . . 5735 1 87 . 1 1 16 16 LYS HG3 H 1 1.28 . . . . . . . . . . . 5735 1 88 . 1 1 16 16 LYS HD2 H 1 1.49 . . . . . . . . . . . 5735 1 89 . 1 1 16 16 LYS HD3 H 1 1.49 . . . . . . . . . . . 5735 1 90 . 1 1 16 16 LYS HE2 H 1 2.71 . . . . . . . . . . . 5735 1 91 . 1 1 16 16 LYS HE3 H 1 2.71 . . . . . . . . . . . 5735 1 92 . 1 1 16 16 LYS HZ1 H 1 7.77 . . . . . . . . . . . 5735 1 93 . 1 1 16 16 LYS HZ2 H 1 7.77 . . . . . . . . . . . 5735 1 94 . 1 1 16 16 LYS HZ3 H 1 7.77 . . . . . . . . . . . 5735 1 95 . 1 1 16 16 LYS HA H 1 4.24 . . . . . . . . . . . 5735 1 96 . 1 1 16 16 LYS HB2 H 1 1.61 . . . . . . . . . . . 5735 1 97 . 1 1 17 17 LEU H H 1 7.99 . . . . . . . . . . . 5735 1 98 . 1 1 17 17 LEU HB3 H 1 1.42 . . . . . . . . . . . 5735 1 99 . 1 1 17 17 LEU HD11 H 1 0.84 . . . . . . . . . . . 5735 1 100 . 1 1 17 17 LEU HD12 H 1 0.84 . . . . . . . . . . . 5735 1 101 . 1 1 17 17 LEU HD13 H 1 0.84 . . . . . . . . . . . 5735 1 102 . 1 1 17 17 LEU HD21 H 1 0.78 . . . . . . . . . . . 5735 1 103 . 1 1 17 17 LEU HD22 H 1 0.78 . . . . . . . . . . . 5735 1 104 . 1 1 17 17 LEU HD23 H 1 0.78 . . . . . . . . . . . 5735 1 105 . 1 1 17 17 LEU HG H 1 1.54 . . . . . . . . . . . 5735 1 106 . 1 1 17 17 LEU HA H 1 4.32 . . . . . . . . . . . 5735 1 107 . 1 1 17 17 LEU HB2 H 1 1.34 . . . . . . . . . . . 5735 1 108 . 1 1 18 18 VAL H H 1 7.73 . . . . . . . . . . . 5735 1 109 . 1 1 18 18 VAL HG11 H 1 0.70 . . . . . . . . . . . 5735 1 110 . 1 1 18 18 VAL HG12 H 1 0.70 . . . . . . . . . . . 5735 1 111 . 1 1 18 18 VAL HG13 H 1 0.70 . . . . . . . . . . . 5735 1 112 . 1 1 18 18 VAL HG21 H 1 0.70 . . . . . . . . . . . 5735 1 113 . 1 1 18 18 VAL HG22 H 1 0.70 . . . . . . . . . . . 5735 1 114 . 1 1 18 18 VAL HG23 H 1 0.70 . . . . . . . . . . . 5735 1 115 . 1 1 18 18 VAL HA H 1 4.08 . . . . . . . . . . . 5735 1 116 . 1 1 18 18 VAL HB H 1 1.84 . . . . . . . . . . . 5735 1 117 . 1 1 19 19 PHE H H 1 7.92 . . . . . . . . . . . 5735 1 118 . 1 1 19 19 PHE HB3 H 1 2.72 . . . . . . . . . . . 5735 1 119 . 1 1 19 19 PHE HD1 H 1 7.18 . . . . . . . . . . . 5735 1 120 . 1 1 19 19 PHE HD2 H 1 7.18 . . . . . . . . . . . 5735 1 121 . 1 1 19 19 PHE HE1 H 1 7.23 . . . . . . . . . . . 5735 1 122 . 1 1 19 19 PHE HE2 H 1 7.23 . . . . . . . . . . . 5735 1 123 . 1 1 19 19 PHE HA H 1 4.52 . . . . . . . . . . . 5735 1 124 . 1 1 19 19 PHE HB2 H 1 2.94 . . . . . . . . . . . 5735 1 125 . 1 1 20 20 PHE H H 1 8.1 . . . . . . . . . . . 5735 1 126 . 1 1 20 20 PHE HB3 H 1 2.81 . . . . . . . . . . . 5735 1 127 . 1 1 20 20 PHE HD1 H 1 7.23 . . . . . . . . . . . 5735 1 128 . 1 1 20 20 PHE HD2 H 1 7.23 . . . . . . . . . . . 5735 1 129 . 1 1 20 20 PHE HE1 H 1 7.16 . . . . . . . . . . . 5735 1 130 . 1 1 20 20 PHE HE2 H 1 7.16 . . . . . . . . . . . 5735 1 131 . 1 1 20 20 PHE HA H 1 4.56 . . . . . . . . . . . 5735 1 132 . 1 1 20 20 PHE HB2 H 1 3.02 . . . . . . . . . . . 5735 1 133 . 1 1 21 21 ALA H H 1 8.18 . . . . . . . . . . . 5735 1 134 . 1 1 21 21 ALA HA H 1 4.31 . . . . . . . . . . . 5735 1 135 . 1 1 21 21 ALA HB1 H 1 1.21 . . . . . . . . . . . 5735 1 136 . 1 1 21 21 ALA HB2 H 1 1.21 . . . . . . . . . . . 5735 1 137 . 1 1 21 21 ALA HB3 H 1 1.21 . . . . . . . . . . . 5735 1 138 . 1 1 22 22 GLU H H 1 8.02 . . . . . . . . . . . 5735 1 139 . 1 1 22 22 GLU HB3 H 1 1.74 . . . . . . . . . . . 5735 1 140 . 1 1 22 22 GLU HG2 H 1 2.25 . . . . . . . . . . . 5735 1 141 . 1 1 22 22 GLU HG3 H 1 2.25 . . . . . . . . . . . 5735 1 142 . 1 1 22 22 GLU HA H 1 4.3 . . . . . . . . . . . 5735 1 143 . 1 1 22 22 GLU HB2 H 1 1.89 . . . . . . . . . . . 5735 1 144 . 1 1 23 23 ASP H H 1 8.27 . . . . . . . . . . . 5735 1 145 . 1 1 23 23 ASP HB3 H 1 2.72 . . . . . . . . . . . 5735 1 146 . 1 1 23 23 ASP HA H 1 4.6 . . . . . . . . . . . 5735 1 147 . 1 1 23 23 ASP HB2 H 1 2.52 . . . . . . . . . . . 5735 1 148 . 1 1 24 24 VAL H H 1 7.66 . . . . . . . . . . . 5735 1 149 . 1 1 24 24 VAL HG11 H 1 0.85 . . . . . . . . . . . 5735 1 150 . 1 1 24 24 VAL HG12 H 1 0.85 . . . . . . . . . . . 5735 1 151 . 1 1 24 24 VAL HG13 H 1 0.85 . . . . . . . . . . . 5735 1 152 . 1 1 24 24 VAL HG21 H 1 0.81 . . . . . . . . . . . 5735 1 153 . 1 1 24 24 VAL HG22 H 1 0.81 . . . . . . . . . . . 5735 1 154 . 1 1 24 24 VAL HG23 H 1 0.81 . . . . . . . . . . . 5735 1 155 . 1 1 24 24 VAL HA H 1 4.15 . . . . . . . . . . . 5735 1 156 . 1 1 24 24 VAL HB H 1 1.98 . . . . . . . . . . . 5735 1 157 . 1 1 25 25 GLY H H 1 8.15 . . . . . . . . . . . 5735 1 158 . 1 1 25 25 GLY HA2 H 1 3.81 . . . . . . . . . . . 5735 1 159 . 1 1 25 25 GLY HA3 H 1 3.72 . . . . . . . . . . . 5735 1 160 . 1 1 26 26 SER H H 1 7.95 . . . . . . . . . . . 5735 1 161 . 1 1 26 26 SER HB3 H 1 3.52 . . . . . . . . . . . 5735 1 162 . 1 1 26 26 SER HA H 1 4.33 . . . . . . . . . . . 5735 1 163 . 1 1 26 26 SER HB2 H 1 3.59 . . . . . . . . . . . 5735 1 164 . 1 1 27 27 ASN H H 1 8.23 . . . . . . . . . . . 5735 1 165 . 1 1 27 27 ASN HB3 H 1 2.46 . . . . . . . . . . . 5735 1 166 . 1 1 27 27 ASN HD21 H 1 7.37 . . . . . . . . . . . 5735 1 167 . 1 1 27 27 ASN HD22 H 1 6.93 . . . . . . . . . . . 5735 1 168 . 1 1 27 27 ASN HA H 1 4.6 . . . . . . . . . . . 5735 1 169 . 1 1 27 27 ASN HB2 H 1 2.55 . . . . . . . . . . . 5735 1 170 . 1 1 28 28 LYS H H 1 7.92 . . . . . . . . . . . 5735 1 171 . 1 1 28 28 LYS HB3 H 1 1.58 . . . . . . . . . . . 5735 1 172 . 1 1 28 28 LYS HG2 H 1 1.33 . . . . . . . . . . . 5735 1 173 . 1 1 28 28 LYS HG3 H 1 1.33 . . . . . . . . . . . 5735 1 174 . 1 1 28 28 LYS HD2 H 1 1.51 . . . . . . . . . . . 5735 1 175 . 1 1 28 28 LYS HD3 H 1 1.51 . . . . . . . . . . . 5735 1 176 . 1 1 28 28 LYS HE2 H 1 2.76 . . . . . . . . . . . 5735 1 177 . 1 1 28 28 LYS HE3 H 1 2.76 . . . . . . . . . . . 5735 1 178 . 1 1 28 28 LYS HZ1 H 1 7.70 . . . . . . . . . . . 5735 1 179 . 1 1 28 28 LYS HZ2 H 1 7.70 . . . . . . . . . . . 5735 1 180 . 1 1 28 28 LYS HZ3 H 1 7.70 . . . . . . . . . . . 5735 1 181 . 1 1 28 28 LYS HA H 1 4.14 . . . . . . . . . . . 5735 1 182 . 1 1 28 28 LYS HB2 H 1 1.71 . . . . . . . . . . . 5735 1 stop_ save_