data_16550 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16550 _Entry.Title ; Specific motifs of the V-ATPase a2-subunit isoform interact with catalytic and regulatory domains of ARNO ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-10-11 _Entry.Accession_date 2009-10-11 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _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.Entry_ID 1 Maria Merkulova . . . 16550 2 Anastasia Bakulina . . . 16550 3 Youg Thaker . R. . 16550 4 Gerhard Gruber . . . 16550 5 Vladimir Marshansky . . . 16550 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'not applicable' 'not applicable' . 16550 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Peptide . 16550 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16550 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 156 16550 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 2 . . 2010-08-12 2009-10-11 update BMRB 'Complete entry citation' 16550 1 . . 2010-02-18 2009-10-11 original author 'original release' 16550 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 16551 'ARNO-(375-400) phosphorylated at Ser392' 16550 PDB 2KPA 'BMRB Entry Tracking System' 16550 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16550 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20153292 _Citation.Full_citation . _Citation.Title 'Specific motifs of the V-ATPase a2-subunit isoform interact with catalytic and regulatory domains of ARNO.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Biochim. Biophys. Acta' _Citation.Journal_name_full 'Biochimica et biophysica acta' _Citation.Journal_volume 1797 _Citation.Journal_issue 8 _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 1398 _Citation.Page_last 1409 _Citation.Year 2010 _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 Maria Merkulova . . . 16550 1 2 Anastasia Bakulina . . . 16550 1 3 'Youg Raj' Thaker . . . 16550 1 4 Gerhard Gruber . . . 16550 1 5 Vladimir Marshansky . . . 16550 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16550 _Assembly.ID 1 _Assembly.Name ARNO(375-400) _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 3076 _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 'PB domain' 1 $ARNO(375-400) A . yes native no no . . . 16550 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Arf6 GTP/GDP exchanger' 16550 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ARNO(375-400) _Entity.Sf_category entity _Entity.Sf_framecode ARNO(375-400) _Entity.Entry_ID 16550 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ARNO(375-400) _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 ; VSVDPFYEMLAARKKRISVK KKQEQP ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq '1VSVDPFYEMLAARKKRIS VKKKQEQP26' _Entity.Polymer_author_seq_details 'Residues from 375-400 represents PB (Polybasic)of ARNO protein.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 26 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Polybasic domain (PB)' _Entity.Mutation . _Entity.EC_number Hydrolase _Entity.Calc_isoelectric_point . _Entity.Formula_weight 3076 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 PDB 2KPA . "Specific Motifs Of The V-Atpase A2-Subunit Isoform Interact With Catalytic And Regulatory Domains Of Arno" . . . . . 100.00 26 100.00 100.00 4.92e-08 . . . . 16550 1 2 no PDB 2KPB . "Specific Motifs Of The V-Atpase A2-Subunit Isoform Interact With Catalytic And Regulatory Domains Of Arno" . . . . . 100.00 26 100.00 100.00 4.92e-08 . . . . 16550 1 3 no DBJ BAA33429 . "cytohesin 2 [Mus musculus]" . . . . . 100.00 400 100.00 100.00 4.44e-06 . . . . 16550 1 4 no DBJ BAA33430 . "cytohesin 2 [Mus musculus]" . . . . . 100.00 384 100.00 100.00 3.17e-06 . . . . 16550 1 5 no DBJ BAA33431 . "cytohesin 2 [Mus musculus]" . . . . . 100.00 384 100.00 100.00 3.17e-06 . . . . 16550 1 6 no DBJ BAA33432 . "cytohesin 2 [Mus musculus]" . . . . . 100.00 344 100.00 100.00 1.45e-06 . . . . 16550 1 7 no DBJ BAA87927 . "cytohesin-2 [Chlorocebus aethiops]" . . . . . 100.00 399 100.00 100.00 5.55e-06 . . . . 16550 1 8 no EMBL CAA68084 . "Arno protein (ARF exchange factor) [Homo sapiens]" . . . . . 100.00 399 100.00 100.00 5.55e-06 . . . . 16550 1 9 no GB AAB09591 . "cytohesin-2 [Homo sapiens]" . . . . . 100.00 400 100.00 100.00 4.85e-06 . . . . 16550 1 10 no GB AAB41444 . "sec7B [Rattus norvegicus]" . . . . . 100.00 400 100.00 100.00 4.44e-06 . . . . 16550 1 11 no GB AAC77924 . "cytohesin-2 [Mus musculus]" . . . . . 100.00 400 100.00 100.00 4.44e-06 . . . . 16550 1 12 no GB AAH04361 . "Cytohesin 2 [Homo sapiens]" . . . . . 100.00 400 100.00 100.00 4.85e-06 . . . . 16550 1 13 no GB AAH04662 . "Cytohesin 2 [Mus musculus]" . . . . . 100.00 399 100.00 100.00 5.23e-06 . . . . 16550 1 14 no REF NP_001070562 . "cytohesin-2 [Bos taurus]" . . . . . 100.00 410 100.00 100.00 7.35e-06 . . . . 16550 1 15 no REF NP_001106171 . "cytohesin-2 isoform 2 [Mus musculus]" . . . . . 100.00 399 100.00 100.00 5.23e-06 . . . . 16550 1 16 no REF NP_001135984 . "cytohesin-2 [Ovis aries]" . . . . . 100.00 399 100.00 100.00 5.55e-06 . . . . 16550 1 17 no REF NP_001137592 . "cytohesin-2 [Sus scrofa]" . . . . . 100.00 399 100.00 100.00 5.83e-06 . . . . 16550 1 18 no REF NP_001247820 . "cytohesin-2 [Macaca mulatta]" . . . . . 100.00 400 100.00 100.00 4.85e-06 . . . . 16550 1 19 no SP P63034 . "RecName: Full=Cytohesin-2; AltName: Full=ARF nucleotide-binding site opener; Short=Protein ARNO; AltName: Full=PH, SEC7 and coi" . . . . . 100.00 400 100.00 100.00 5.25e-06 . . . . 16550 1 20 no SP P63035 . "RecName: Full=Cytohesin-2; AltName: Full=ARF nucleotide-binding site opener; Short=Protein ARNO; AltName: Full=PH, SEC7 and coi" . . . . . 100.00 400 100.00 100.00 4.44e-06 . . . . 16550 1 21 no SP Q2KI41 . "RecName: Full=Cytohesin-2; AltName: Full=PH, SEC7 and coiled-coil domain-containing protein 2" . . . . . 100.00 410 100.00 100.00 7.35e-06 . . . . 16550 1 22 no SP Q76MY7 . "RecName: Full=Cytohesin-2; AltName: Full=PH, SEC7 and coiled-coil domain-containing protein 2" . . . . . 100.00 399 100.00 100.00 5.55e-06 . . . . 16550 1 23 no SP Q99418 . "RecName: Full=Cytohesin-2; AltName: Full=ARF exchange factor; AltName: Full=ARF nucleotide-binding site opener; Short=Protein A" . . . . . 100.00 400 100.00 100.00 4.85e-06 . . . . 16550 1 24 no TPG DAA19658 . "TPA: cytohesin-2 [Bos taurus]" . . . . . 100.00 410 100.00 100.00 7.35e-06 . . . . 16550 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Small GTPase, Arf6 guanine nucleotide exchanger factor (GEF)' 16550 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 . VAL . 16550 1 2 . SER . 16550 1 3 . VAL . 16550 1 4 . ASP . 16550 1 5 . PRO . 16550 1 6 . PHE . 16550 1 7 . TYR . 16550 1 8 . GLU . 16550 1 9 . MET . 16550 1 10 . LEU . 16550 1 11 . ALA . 16550 1 12 . ALA . 16550 1 13 . ARG . 16550 1 14 . LYS . 16550 1 15 . LYS . 16550 1 16 . ARG . 16550 1 17 . ILE . 16550 1 18 . SER . 16550 1 19 . VAL . 16550 1 20 . LYS . 16550 1 21 . LYS . 16550 1 22 . LYS . 16550 1 23 . GLN . 16550 1 24 . GLU . 16550 1 25 . GLN . 16550 1 26 . PRO . 16550 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 . VAL 1 1 16550 1 . SER 2 2 16550 1 . VAL 3 3 16550 1 . ASP 4 4 16550 1 . PRO 5 5 16550 1 . PHE 6 6 16550 1 . TYR 7 7 16550 1 . GLU 8 8 16550 1 . MET 9 9 16550 1 . LEU 10 10 16550 1 . ALA 11 11 16550 1 . ALA 12 12 16550 1 . ARG 13 13 16550 1 . LYS 14 14 16550 1 . LYS 15 15 16550 1 . ARG 16 16 16550 1 . ILE 17 17 16550 1 . SER 18 18 16550 1 . VAL 19 19 16550 1 . LYS 20 20 16550 1 . LYS 21 21 16550 1 . LYS 22 22 16550 1 . GLN 23 23 16550 1 . GLU 24 24 16550 1 . GLN 25 25 16550 1 . PRO 26 26 16550 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 16550 _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 $ARNO(375-400) . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16550 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 16550 _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 $ARNO(375-400) . 'chemical synthesis' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 16550 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16550 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1 mM' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 ARNO(375-400) '[U-100% 15N]' . . 1 $ARNO(375-400) . . 1-2 . . mM . . . . 16550 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 16550 _Sample_condition_list.ID 1 _Sample_condition_list.Details 'All experiments done at 298K' 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 pH 7.0 . pH 16550 1 temperature 298 . K 16550 1 stop_ save_ ############################ # Computer software used # ############################ save_SPARKY _Software.Sf_category software _Software.Sf_framecode SPARKY _Software.Entry_ID 16550 _Software.ID 1 _Software.Name SPARKY _Software.Version 2.6.9 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Goddard . . 16550 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16550 1 'chemical shift calculation' 16550 1 'data analysis' 16550 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 16550 _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 16550 _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 Avance . 600 . . . 16550 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 16550 _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 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16550 1 2 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16550 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 16550 _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 internal direct 1 . . . . . . . . . 16550 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_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 16550 _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 $chemical_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 '2D 1H-1H TOCSY' . . . 16550 1 2 '2D 1H-1H NOESY' . . . 16550 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 1 $SPARKY . . 16550 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 VAL HB H 1 2.267 0.002 . 1 . . . . 1 V HB . 16550 1 2 . 1 1 1 1 VAL HG11 H 1 1.081 0.002 . 2 . . . . 1 V HG1 . 16550 1 3 . 1 1 1 1 VAL HG12 H 1 1.081 0.002 . 2 . . . . 1 V HG1 . 16550 1 4 . 1 1 1 1 VAL HG13 H 1 1.081 0.002 . 2 . . . . 1 V HG1 . 16550 1 5 . 1 1 1 1 VAL HG21 H 1 0.976 0.002 . 2 . . . . 1 V HG2 . 16550 1 6 . 1 1 1 1 VAL HG22 H 1 0.976 0.002 . 2 . . . . 1 V HG2 . 16550 1 7 . 1 1 1 1 VAL HG23 H 1 0.976 0.002 . 2 . . . . 1 V HG2 . 16550 1 8 . 1 1 2 2 SER H H 1 8.533 0.002 . 1 . . . . 2 S H . 16550 1 9 . 1 1 2 2 SER HA H 1 4.708 0.002 . 1 . . . . 2 S HA . 16550 1 10 . 1 1 2 2 SER HB3 H 1 3.883 0.002 . 2 . . . . 2 S HB3 . 16550 1 11 . 1 1 3 3 VAL H H 1 8.126 0.011 . 1 . . . . 3 V H . 16550 1 12 . 1 1 3 3 VAL HA H 1 4.266 0.011 . 1 . . . . 3 V HA . 16550 1 13 . 1 1 3 3 VAL HB H 1 2.133 0.001 . 1 . . . . 3 V HB . 16550 1 14 . 1 1 3 3 VAL HG11 H 1 0.98 0.001 . 2 . . . . 3 V HG1 . 16550 1 15 . 1 1 3 3 VAL HG12 H 1 0.98 0.001 . 2 . . . . 3 V HG1 . 16550 1 16 . 1 1 3 3 VAL HG13 H 1 0.98 0.001 . 2 . . . . 3 V HG1 . 16550 1 17 . 1 1 4 4 ASP H H 1 8.289 0.003 . 1 . . . . 4 D H . 16550 1 18 . 1 1 4 4 ASP HA H 1 5.056 0.004 . 1 . . . . 4 D HA . 16550 1 19 . 1 1 4 4 ASP HB2 H 1 2.918 0.005 . 2 . . . . 4 D HB2 . 16550 1 20 . 1 1 4 4 ASP HB3 H 1 3.088 0.001 . 2 . . . . 4 D HB3 . 16550 1 21 . 1 1 5 5 PRO HB2 H 1 2.342 0.004 . 2 . . . . 5 P HB2 . 16550 1 22 . 1 1 5 5 PRO HB3 H 1 2.223 0.006 . 2 . . . . 5 P HB3 . 16550 1 23 . 1 1 5 5 PRO HD2 H 1 3.968 0.002 . 2 . . . . 5 P HD2 . 16550 1 24 . 1 1 5 5 PRO HD3 H 1 3.862 0.004 . 2 . . . . 5 P HD3 . 16550 1 25 . 1 1 5 5 PRO HG2 H 1 1.98 0.005 . 2 . . . . 5 P HG2 . 16550 1 26 . 1 1 5 5 PRO HG3 H 1 1.862 0.006 . 2 . . . . 5 P HG3 . 16550 1 27 . 1 1 6 6 PHE H H 1 7.789 0.013 . 1 . . . . 6 F H . 16550 1 28 . 1 1 6 6 PHE HA H 1 4.373 0.011 . 1 . . . . 6 F HA . 16550 1 29 . 1 1 6 6 PHE HB2 H 1 3.18 0.011 . 2 . . . . 6 F HB2 . 16550 1 30 . 1 1 6 6 PHE HB3 H 1 3.059 0.004 . 2 . . . . 6 F HB3 . 16550 1 31 . 1 1 6 6 PHE HD1 H 1 7.325 0.002 . 1 . . . . 6 F HD1 . 16550 1 32 . 1 1 6 6 PHE HE1 H 1 7.165 0.011 . 1 . . . . 6 F HE1 . 16550 1 33 . 1 1 6 6 PHE HZ H 1 6.944 0.002 . 1 . . . . 6 F HZ . 16550 1 34 . 1 1 7 7 TYR H H 1 7.568 0.016 . 1 . . . . 7 Y H . 16550 1 35 . 1 1 7 7 TYR HA H 1 4.2 0.012 . 1 . . . . 7 Y HA . 16550 1 36 . 1 1 7 7 TYR HB2 H 1 3.19 0.008 . 2 . . . . 7 Y HB2 . 16550 1 37 . 1 1 7 7 TYR HB3 H 1 3.139 0.003 . 2 . . . . 7 Y HB3 . 16550 1 38 . 1 1 7 7 TYR HD1 H 1 7.189 0.013 . 1 . . . . 7 Y HD1 . 16550 1 39 . 1 1 7 7 TYR HE1 H 1 6.94 0.003 . 1 . . . . 7 Y HE1 . 16550 1 40 . 1 1 8 8 GLU H H 1 7.979 0.015 . 1 . . . . 8 E H . 16550 1 41 . 1 1 8 8 GLU HA H 1 4.085 0.016 . 1 . . . . 8 E HA . 16550 1 42 . 1 1 8 8 GLU HB2 H 1 2.23 0.002 . 2 . . . . 8 E HB2 . 16550 1 43 . 1 1 8 8 GLU HG2 H 1 2.558 0.001 . 2 . . . . 8 E HG2 . 16550 1 44 . 1 1 9 9 MET H H 1 8.09 0.002 . 1 . . . . 9 M H . 16550 1 45 . 1 1 9 9 MET HA H 1 4.184 0.011 . 1 . . . . 9 M HA . 16550 1 46 . 1 1 9 9 MET HB2 H 1 2.246 0.009 . 2 . . . . 9 M HB2 . 16550 1 47 . 1 1 9 9 MET HB3 H 1 2.168 0.016 . 2 . . . . 9 M HB3 . 16550 1 48 . 1 1 9 9 MET HG2 H 1 2.744 0.002 . 2 . . . . 9 M HG2 . 16550 1 49 . 1 1 9 9 MET HG3 H 1 2.559 0.004 . 2 . . . . 9 M HG3 . 16550 1 50 . 1 1 10 10 LEU H H 1 8.035 0.007 . 1 . . . . 10 L H . 16550 1 51 . 1 1 10 10 LEU HA H 1 4.017 0.002 . 1 . . . . 10 L HA . 16550 1 52 . 1 1 10 10 LEU HB2 H 1 1.713 0.005 . 2 . . . . 10 L HB2 . 16550 1 53 . 1 1 10 10 LEU HD11 H 1 0.868 0.007 . 1 . . . . 10 L HD1 . 16550 1 54 . 1 1 10 10 LEU HD12 H 1 0.868 0.007 . 1 . . . . 10 L HD1 . 16550 1 55 . 1 1 10 10 LEU HD13 H 1 0.868 0.007 . 1 . . . . 10 L HD1 . 16550 1 56 . 1 1 10 10 LEU HG H 1 1.584 0.002 . 1 . . . . 10 L HG . 16550 1 57 . 1 1 11 11 ALA H H 1 8.323 0.001 . 1 . . . . 11 A H . 16550 1 58 . 1 1 11 11 ALA HA H 1 4.008 0.015 . 1 . . . . 11 A HA . 16550 1 59 . 1 1 11 11 ALA HB1 H 1 1.436 0.002 . 1 . . . . 11 A HB . 16550 1 60 . 1 1 11 11 ALA HB2 H 1 1.436 0.002 . 1 . . . . 11 A HB . 16550 1 61 . 1 1 11 11 ALA HB3 H 1 1.436 0.002 . 1 . . . . 11 A HB . 16550 1 62 . 1 1 12 12 ALA H H 1 8.149 0.002 . 1 . . . . 12 A H . 16550 1 63 . 1 1 12 12 ALA HA H 1 4.141 0.016 . 1 . . . . 12 A HA . 16550 1 64 . 1 1 12 12 ALA HB1 H 1 1.591 0.001 . 1 . . . . 12 A HB . 16550 1 65 . 1 1 12 12 ALA HB2 H 1 1.591 0.001 . 1 . . . . 12 A HB . 16550 1 66 . 1 1 12 12 ALA HB3 H 1 1.591 0.001 . 1 . . . . 12 A HB . 16550 1 67 . 1 1 13 13 ARG H H 1 8.137 0.005 . 1 . . . . 13 R H . 16550 1 68 . 1 1 13 13 ARG HA H 1 4.024 0.011 . 1 . . . . 13 R HA . 16550 1 69 . 1 1 13 13 ARG HB2 H 1 2.037 0.003 . 2 . . . . 13 R HB2 . 16550 1 70 . 1 1 13 13 ARG HB3 H 1 1.898 0.002 . 2 . . . . 13 R HB3 . 16550 1 71 . 1 1 13 13 ARG HD2 H 1 3.187 0.001 . 2 . . . . 13 R HD2 . 16550 1 72 . 1 1 13 13 ARG HG2 H 1 1.699 0.001 . 2 . . . . 13 R HG2 . 16550 1 73 . 1 1 13 13 ARG HH11 H 1 7.181 0.010 . 2 . . . . 13 R HH11 . 16550 1 74 . 1 1 14 14 LYS H H 1 8.384 0.006 . 1 . . . . 14 K H . 16550 1 75 . 1 1 14 14 LYS HA H 1 4.031 0.023 . 1 . . . . 14 K HA . 16550 1 76 . 1 1 14 14 LYS HB2 H 1 1.694 0.006 . 2 . . . . 14 K HB2 . 16550 1 77 . 1 1 14 14 LYS HD2 H 1 1.618 0.002 . 2 . . . . 14 K HD2 . 16550 1 78 . 1 1 14 14 LYS HE2 H 1 2.966 0.002 . 2 . . . . 14 K HE2 . 16550 1 79 . 1 1 14 14 LYS HG2 H 1 1.434 0.002 . 2 . . . . 14 K HG2 . 16550 1 80 . 1 1 15 15 LYS H H 1 8.248 0.008 . 1 . . . . 15 K H . 16550 1 81 . 1 1 15 15 LYS HA H 1 4.096 0.006 . 1 . . . . 15 K HA . 16550 1 82 . 1 1 15 15 LYS HB2 H 1 2.027 0.009 . 2 . . . . 15 K HB2 . 16550 1 83 . 1 1 15 15 LYS HB3 H 1 1.889 0.002 . 2 . . . . 15 K HB3 . 16550 1 84 . 1 1 15 15 LYS HD2 H 1 1.728 0.001 . 2 . . . . 15 K HD2 . 16550 1 85 . 1 1 15 15 LYS HD3 H 1 1.591 0.002 . 2 . . . . 15 K HD3 . 16550 1 86 . 1 1 15 15 LYS HE2 H 1 2.96 0.003 . 2 . . . . 15 K HE2 . 16550 1 87 . 1 1 15 15 LYS HG2 H 1 1.488 0.002 . 2 . . . . 15 K HG2 . 16550 1 88 . 1 1 15 15 LYS HG3 H 1 1.432 0.002 . 2 . . . . 15 K HG3 . 16550 1 89 . 1 1 16 16 ARG H H 1 8.089 0.009 . 1 . . . . 16 R H . 16550 1 90 . 1 1 16 16 ARG HA H 1 4.074 0.015 . 1 . . . . 16 R HA . 16550 1 91 . 1 1 16 16 ARG HB2 H 1 2.031 0.002 . 2 . . . . 16 R HB2 . 16550 1 92 . 1 1 16 16 ARG HB3 H 1 1.892 0.005 . 2 . . . . 16 R HB3 . 16550 1 93 . 1 1 16 16 ARG HD2 H 1 3.222 0.006 . 2 . . . . 16 R HD2 . 16550 1 94 . 1 1 16 16 ARG HG2 H 1 1.794 0.005 . 2 . . . . 16 R HG2 . 16550 1 95 . 1 1 16 16 ARG HG3 H 1 1.716 0.002 . 2 . . . . 16 R HG3 . 16550 1 96 . 1 1 16 16 ARG HH11 H 1 7.305 0.001 . 2 . . . . 16 R HH11 . 16550 1 97 . 1 1 17 17 ILE H H 1 8.363 0.005 . 1 . . . . 17 I H . 16550 1 98 . 1 1 17 17 ILE HA H 1 3.868 0.014 . 1 . . . . 17 I HA . 16550 1 99 . 1 1 17 17 ILE HB H 1 2 0.013 . 1 . . . . 17 I HB . 16550 1 100 . 1 1 17 17 ILE HD11 H 1 0.892 0.002 . 1 . . . . 17 I HD1 . 16550 1 101 . 1 1 17 17 ILE HD12 H 1 0.892 0.002 . 1 . . . . 17 I HD1 . 16550 1 102 . 1 1 17 17 ILE HD13 H 1 0.892 0.002 . 1 . . . . 17 I HD1 . 16550 1 103 . 1 1 17 17 ILE HG12 H 1 1.227 0.001 . 2 . . . . 17 I HG12 . 16550 1 104 . 1 1 17 17 ILE HG21 H 1 0.985 0.002 . 1 . . . . 17 I HG2 . 16550 1 105 . 1 1 17 17 ILE HG22 H 1 0.985 0.002 . 1 . . . . 17 I HG2 . 16550 1 106 . 1 1 17 17 ILE HG23 H 1 0.985 0.002 . 1 . . . . 17 I HG2 . 16550 1 107 . 1 1 18 18 SER H H 1 7.996 0.008 . 1 . . . . 18 S H . 16550 1 108 . 1 1 18 18 SER HA H 1 4.393 0.007 . 1 . . . . 18 S HA . 16550 1 109 . 1 1 18 18 SER HB2 H 1 3.858 0.002 . 2 . . . . 18 S HB2 . 16550 1 110 . 1 1 19 19 VAL H H 1 8.001 0.002 . 1 . . . . 19 V H . 16550 1 111 . 1 1 19 19 VAL HA H 1 3.867 0.004 . 1 . . . . 19 V HA . 16550 1 112 . 1 1 19 19 VAL HB H 1 2.232 0.004 . 1 . . . . 19 V HB . 16550 1 113 . 1 1 19 19 VAL HG11 H 1 1.108 0.002 . 2 . . . . 19 V HG1 . 16550 1 114 . 1 1 19 19 VAL HG12 H 1 1.108 0.002 . 2 . . . . 19 V HG1 . 16550 1 115 . 1 1 19 19 VAL HG13 H 1 1.108 0.002 . 2 . . . . 19 V HG1 . 16550 1 116 . 1 1 19 19 VAL HG21 H 1 0.993 0.003 . 2 . . . . 19 V HG2 . 16550 1 117 . 1 1 19 19 VAL HG22 H 1 0.993 0.003 . 2 . . . . 19 V HG2 . 16550 1 118 . 1 1 19 19 VAL HG23 H 1 0.993 0.003 . 2 . . . . 19 V HG2 . 16550 1 119 . 1 1 20 20 LYS H H 1 8.407 0.001 . 1 . . . . 20 K H . 16550 1 120 . 1 1 20 20 LYS HA H 1 4.176 0.013 . 1 . . . . 20 K HA . 16550 1 121 . 1 1 20 20 LYS HB2 H 1 1.946 0.01 . 2 . . . . 20 K HB2 . 16550 1 122 . 1 1 20 20 LYS HB3 H 1 1.735 0.003 . 2 . . . . 20 K HB3 . 16550 1 123 . 1 1 20 20 LYS HD2 H 1 1.621 0.002 . 2 . . . . 20 K HD2 . 16550 1 124 . 1 1 20 20 LYS HE2 H 1 3.011 0.004 . 2 . . . . 20 K HE2 . 16550 1 125 . 1 1 20 20 LYS HG2 H 1 1.537 0.003 . 2 . . . . 20 K HG2 . 16550 1 126 . 1 1 21 21 LYS H H 1 8.054 0.007 . 1 . . . . 21 K H . 16550 1 127 . 1 1 21 21 LYS HA H 1 4.244 0.011 . 1 . . . . 21 K HA . 16550 1 128 . 1 1 21 21 LYS HB2 H 1 2.019 0.004 . 2 . . . . 21 K HB2 . 16550 1 129 . 1 1 21 21 LYS HB3 H 1 1.967 0.003 . 2 . . . . 21 K HB3 . 16550 1 130 . 1 1 21 21 LYS HD2 H 1 1.785 0.002 . 2 . . . . 21 K HD2 . 16550 1 131 . 1 1 21 21 LYS HE2 H 1 3.03 0.002 . 2 . . . . 21 K HE2 . 16550 1 132 . 1 1 21 21 LYS HG2 H 1 1.559 0.002 . 2 . . . . 21 K HG2 . 16550 1 133 . 1 1 22 22 LYS H H 1 7.99 0.015 . 1 . . . . 22 K H . 16550 1 134 . 1 1 22 22 LYS HA H 1 4.282 0.014 . 1 . . . . 22 K HA . 16550 1 135 . 1 1 22 22 LYS HB2 H 1 1.978 0.003 . 2 . . . . 22 K HB2 . 16550 1 136 . 1 1 22 22 LYS HD2 H 1 1.777 0.002 . 2 . . . . 22 K HD2 . 16550 1 137 . 1 1 22 22 LYS HE2 H 1 3.067 0.011 . 2 . . . . 22 K HE2 . 16550 1 138 . 1 1 22 22 LYS HG2 H 1 1.581 0.002 . 2 . . . . 22 K HG2 . 16550 1 139 . 1 1 23 23 GLN H H 1 8.206 0.007 . 1 . . . . 23 Q H . 16550 1 140 . 1 1 23 23 GLN HA H 1 4.298 0.016 . 1 . . . . 23 Q HA . 16550 1 141 . 1 1 23 23 GLN HB2 H 1 2.226 0.002 . 2 . . . . 23 Q HB2 . 16550 1 142 . 1 1 23 23 GLN HE21 H 1 7.337 0.002 . 2 . . . . 23 Q HE21 . 16550 1 143 . 1 1 23 23 GLN HE22 H 1 6.668 0.001 . 2 . . . . 23 Q HE22 . 16550 1 144 . 1 1 23 23 GLN HG2 H 1 2.605 0.004 . 2 . . . . 23 Q HG2 . 16550 1 145 . 1 1 23 23 GLN HG3 H 1 2.454 0.003 . 2 . . . . 23 Q HG3 . 16550 1 146 . 1 1 24 24 GLU H H 1 8.008 0.002 . 1 . . . . 24 E H . 16550 1 147 . 1 1 24 24 GLU HA H 1 4.402 0.007 . 1 . . . . 24 E HA . 16550 1 148 . 1 1 24 24 GLU HB2 H 1 2.231 0.004 . 2 . . . . 24 E HB2 . 16550 1 149 . 1 1 24 24 GLU HB3 H 1 2.119 0.008 . 2 . . . . 24 E HB3 . 16550 1 150 . 1 1 24 24 GLU HG2 H 1 2.63 0.002 . 2 . . . . 24 E HG2 . 16550 1 151 . 1 1 24 24 GLU HG3 H 1 2.563 0.002 . 2 . . . . 24 E HG3 . 16550 1 152 . 1 1 25 25 GLN H H 1 8.001 0.016 . 1 . . . . 25 Q H . 16550 1 153 . 1 1 25 25 GLN HA H 1 4.727 0.002 . 1 . . . . 25 Q HA . 16550 1 154 . 1 1 25 25 GLN HB2 H 1 2.203 0.001 . 2 . . . . 25 Q HB2 . 16550 1 155 . 1 1 25 25 GLN HB3 H 1 2.085 0.002 . 2 . . . . 25 Q HB3 . 16550 1 156 . 1 1 25 25 GLN HG2 H 1 2.497 0.002 . 2 . . . . 25 Q HG2 . 16550 1 stop_ save_