data_16484 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16484 _Entry.Title ; NMR structure of CIP75 UBA domain ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-09-08 _Entry.Accession_date 2009-09-08 _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 Fabien Kieken . . . 16484 2 Gaelle Spagnol . . . 16484 3 Vivian Su . . . 16484 4 Alan Lau . F. . 16484 5 Paul Sorgen . L. . 16484 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' . 16484 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID . . 'Lau group, Cancer Research Center of Hawaii' . 16484 1 . 'Sorgen group, University of Nebraska Medical Center' . 16484 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Protein . 16484 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16484 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 162 16484 '15N chemical shifts' 58 16484 '1H chemical shifts' 379 16484 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 3 . . 2010-06-03 2009-09-08 update BMRB 'edit assembly name' 16484 2 . . 2010-03-19 2009-09-08 update BMRB 'completed entry citation' 16484 1 . . 2010-02-04 2009-09-08 original author 'original release' 16484 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KNZ 'BMRB Entry Tracking System' 16484 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16484 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20127391 _Citation.Full_citation . _Citation.Title 'NMR structure note: UBA domain of CIP75.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full 'Journal of biomolecular NMR' _Citation.Journal_volume 46 _Citation.Journal_issue 3 _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 245 _Citation.Page_last 250 _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 Fabien Kieken . . . 16484 1 2 Gaelle Spagnol . . . 16484 1 3 Vivian Su . . . 16484 1 4 Alan Lau . F. . 16484 1 5 Paul Sorgen . L. . 16484 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID CIP75 16484 1 Cx43 16484 1 'UBA domain' 16484 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16484 _Assembly.ID 1 _Assembly.Name CIP75_UBA _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 5698.4 _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 CIP75_UBA 1 $CIP75_UBA A . yes native no no . . . 16484 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'proteasomal degradation' 16484 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_CIP75_UBA _Entity.Sf_category entity _Entity.Sf_framecode CIP75_UBA _Entity.Entry_ID 16484 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name CIP75_UBA _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 ; GPLGSMPEVRFQQQLEQLNS MGFINREANLQALIATGGDI NAAIERLLGSQLS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-5 represent a non-native cloning sequence.' _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 53 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment 'UBA domain' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 5698.4 _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 2KNZ . "Nmr Structure Of Cip75 Uba Domain" . . . . . 100.00 53 100.00 100.00 2.28e-27 . . . . 16484 1 2 no DBJ BAB40326 . "UBIN [Mus musculus]" . . . . . 90.57 596 100.00 100.00 9.56e-22 . . . . 16484 1 3 no DBJ BAC36837 . "unnamed protein product [Mus musculus]" . . . . . 90.57 48 100.00 100.00 1.27e-23 . . . . 16484 1 4 no DBJ BAD92803 . "ataxin-1 ubiquitin-like interacting protein variant [Homo sapiens]" . . . . . 88.68 600 100.00 100.00 4.14e-21 . . . . 16484 1 5 no DBJ BAG37034 . "unnamed protein product [Homo sapiens]" . . . . . 88.68 601 100.00 100.00 4.03e-21 . . . . 16484 1 6 no DBJ BAG64068 . "unnamed protein product [Homo sapiens]" . . . . . 88.68 581 100.00 100.00 4.36e-21 . . . . 16484 1 7 no GB AAF19084 . "HRIHFB2157-like protein [Homo sapiens]" . . . . . 88.68 444 100.00 100.00 3.49e-21 . . . . 16484 1 8 no GB AAF80171 . "A1U [Homo sapiens]" . . . . . 88.68 601 100.00 100.00 4.77e-21 . . . . 16484 1 9 no GB AAH06410 . "UBQLN4 protein [Homo sapiens]" . . . . . 88.68 62 100.00 100.00 8.09e-23 . . . . 16484 1 10 no GB AAH17686 . "Ubiquilin 4 [Mus musculus]" . . . . . 90.57 596 100.00 100.00 9.56e-22 . . . . 16484 1 11 no GB AAH18403 . "Ubiquilin 4 [Homo sapiens]" . . . . . 88.68 601 100.00 100.00 3.99e-21 . . . . 16484 1 12 no REF NP_001291271 . "ubiquilin-4 isoform 2 [Homo sapiens]" . . . . . 88.68 581 100.00 100.00 4.36e-21 . . . . 16484 1 13 no REF NP_064516 . "ubiquilin-4 isoform 1 [Homo sapiens]" . . . . . 88.68 601 100.00 100.00 3.99e-21 . . . . 16484 1 14 no REF NP_277068 . "ubiquilin-4 [Mus musculus]" . . . . . 90.57 596 100.00 100.00 9.56e-22 . . . . 16484 1 15 no REF XP_001117405 . "PREDICTED: ubiquilin-4-like [Macaca mulatta]" . . . . . 88.68 141 100.00 100.00 1.11e-22 . . . . 16484 1 16 no REF XP_001163250 . "PREDICTED: ubiquilin-4 isoform X1 [Pan troglodytes]" . . . . . 88.68 601 100.00 100.00 4.03e-21 . . . . 16484 1 17 no SP Q99NB8 . "RecName: Full=Ubiquilin-4; AltName: Full=Ataxin-1 interacting ubiquitin-like protein; Short=A1Up; AltName: Full=Ataxin-1 ubiqui" . . . . . 90.57 596 100.00 100.00 9.56e-22 . . . . 16484 1 18 no SP Q9NRR5 . "RecName: Full=Ubiquilin-4; AltName: Full=Ataxin-1 interacting ubiquitin-like protein; Short=A1Up; AltName: Full=Ataxin-1 ubiqui" . . . . . 88.68 601 100.00 100.00 3.99e-21 . . . . 16484 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'proteasomal degradation' 16484 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 . GLY . 16484 1 2 . PRO . 16484 1 3 . LEU . 16484 1 4 . GLY . 16484 1 5 . SER . 16484 1 6 . MET . 16484 1 7 . PRO . 16484 1 8 . GLU . 16484 1 9 . VAL . 16484 1 10 . ARG . 16484 1 11 . PHE . 16484 1 12 . GLN . 16484 1 13 . GLN . 16484 1 14 . GLN . 16484 1 15 . LEU . 16484 1 16 . GLU . 16484 1 17 . GLN . 16484 1 18 . LEU . 16484 1 19 . ASN . 16484 1 20 . SER . 16484 1 21 . MET . 16484 1 22 . GLY . 16484 1 23 . PHE . 16484 1 24 . ILE . 16484 1 25 . ASN . 16484 1 26 . ARG . 16484 1 27 . GLU . 16484 1 28 . ALA . 16484 1 29 . ASN . 16484 1 30 . LEU . 16484 1 31 . GLN . 16484 1 32 . ALA . 16484 1 33 . LEU . 16484 1 34 . ILE . 16484 1 35 . ALA . 16484 1 36 . THR . 16484 1 37 . GLY . 16484 1 38 . GLY . 16484 1 39 . ASP . 16484 1 40 . ILE . 16484 1 41 . ASN . 16484 1 42 . ALA . 16484 1 43 . ALA . 16484 1 44 . ILE . 16484 1 45 . GLU . 16484 1 46 . ARG . 16484 1 47 . LEU . 16484 1 48 . LEU . 16484 1 49 . GLY . 16484 1 50 . SER . 16484 1 51 . GLN . 16484 1 52 . LEU . 16484 1 53 . SER . 16484 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 . GLY 1 1 16484 1 . PRO 2 2 16484 1 . LEU 3 3 16484 1 . GLY 4 4 16484 1 . SER 5 5 16484 1 . MET 6 6 16484 1 . PRO 7 7 16484 1 . GLU 8 8 16484 1 . VAL 9 9 16484 1 . ARG 10 10 16484 1 . PHE 11 11 16484 1 . GLN 12 12 16484 1 . GLN 13 13 16484 1 . GLN 14 14 16484 1 . LEU 15 15 16484 1 . GLU 16 16 16484 1 . GLN 17 17 16484 1 . LEU 18 18 16484 1 . ASN 19 19 16484 1 . SER 20 20 16484 1 . MET 21 21 16484 1 . GLY 22 22 16484 1 . PHE 23 23 16484 1 . ILE 24 24 16484 1 . ASN 25 25 16484 1 . ARG 26 26 16484 1 . GLU 27 27 16484 1 . ALA 28 28 16484 1 . ASN 29 29 16484 1 . LEU 30 30 16484 1 . GLN 31 31 16484 1 . ALA 32 32 16484 1 . LEU 33 33 16484 1 . ILE 34 34 16484 1 . ALA 35 35 16484 1 . THR 36 36 16484 1 . GLY 37 37 16484 1 . GLY 38 38 16484 1 . ASP 39 39 16484 1 . ILE 40 40 16484 1 . ASN 41 41 16484 1 . ALA 42 42 16484 1 . ALA 43 43 16484 1 . ILE 44 44 16484 1 . GLU 45 45 16484 1 . ARG 46 46 16484 1 . LEU 47 47 16484 1 . LEU 48 48 16484 1 . GLY 49 49 16484 1 . SER 50 50 16484 1 . GLN 51 51 16484 1 . LEU 52 52 16484 1 . SER 53 53 16484 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 16484 _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 $CIP75_UBA . 10090 organism . 'Mus musculus' Mouse . . Eukaryota Metazoa Mus musculus . . . . . . . . . . . . . . . . . . . . . 16484 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 16484 _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 $CIP75_UBA . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pGEX-6P-2 . . . . . . 16484 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16484 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'pH 5.8' _Sample.Aggregate_sample_number . _Sample.Solvent_system '93% H2O/7% 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 'CIP75 UBA' '[U-13C; U-15N]' . . 1 $CIP75_UBA . . 1.5-2.0 . . mM . . . . 16484 1 2 D2O 'natural abundance' . . . . . . 7 . . % . . . . 16484 1 3 H2O 'natural abundance' . . . . . . 93 . . % . . . . 16484 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 16484 _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 pH 5.8 . pH 16484 1 pressure 1 . atm 16484 1 'temperature controller setting' 280 . K 16484 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16484 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 16484 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16484 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 16484 _Software.ID 2 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 16484 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16484 2 'data analysis' 16484 2 'peak picking' 16484 2 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 16484 _Software.ID 3 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 16484 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 16484 3 refinement 16484 3 'structure solution' 16484 3 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 16484 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _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 16484 _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 Varian INOVA . 600 . . . 16484 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 16484 _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-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 3 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 6 '3D HN(CO)CA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 7 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 9 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 10 '3D C(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 11 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 12 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 1 14 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16484 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 16484 _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 water protons . . . . ppm 4.958 internal direct 1.0 . . . . . . . . . 16484 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 16484 _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 0.05 _Assigned_chem_shift_list.Chem_shift_13C_err 0.5 _Assigned_chem_shift_list.Chem_shift_15N_err 0.5 _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-15N HSQC' . . . 16484 1 2 '2D 1H-13C HSQC' . . . 16484 1 3 '3D HNCACB' . . . 16484 1 4 '3D CBCA(CO)NH' . . . 16484 1 5 '3D HNCO' . . . 16484 1 6 '3D HN(CO)CA' . . . 16484 1 7 '3D HNHA' . . . 16484 1 8 '3D HCCH-TOCSY' . . . 16484 1 9 '3D 1H-15N TOCSY' . . . 16484 1 10 '3D C(CO)NH' . . . 16484 1 11 '3D HBHA(CO)NH' . . . 16484 1 12 '2D 1H-1H TOCSY' . . . 16484 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 2 $NMRView . . 16484 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 GLY HA2 H 1 3.940 0.05 . 2 . . . . 1 G HA2 . 16484 1 2 . 1 1 2 2 PRO HA H 1 4.430 0.05 . 1 . . . . 2 P HA . 16484 1 3 . 1 1 2 2 PRO HB2 H 1 1.915 0.05 . 2 . . . . 2 P HB1 . 16484 1 4 . 1 1 2 2 PRO HB3 H 1 2.284 0.05 . 2 . . . . 2 P HB2 . 16484 1 5 . 1 1 2 2 PRO HD2 H 1 3.536 0.05 . 2 . . . . 2 P HD1 . 16484 1 6 . 1 1 2 2 PRO HD3 H 1 3.536 0.05 . 2 . . . . 2 P HD2 . 16484 1 7 . 1 1 2 2 PRO HG2 H 1 1.973 0.05 . 2 . . . . 2 P HG1 . 16484 1 8 . 1 1 2 2 PRO HG3 H 1 1.973 0.05 . 2 . . . . 2 P HG2 . 16484 1 9 . 1 1 2 2 PRO CA C 13 61.800 0.5 . 1 . . . . 2 P CA . 16484 1 10 . 1 1 2 2 PRO CB C 13 30.600 0.5 . 1 . . . . 2 P CB . 16484 1 11 . 1 1 2 2 PRO CD C 13 47.800 0.5 . 1 . . . . 2 P CD . 16484 1 12 . 1 1 2 2 PRO CG C 13 25.500 0.5 . 1 . . . . 2 P CG . 16484 1 13 . 1 1 3 3 LEU H H 1 8.670 0.05 . 1 . . . . 3 L HN . 16484 1 14 . 1 1 3 3 LEU HA H 1 4.277 0.05 . 1 . . . . 3 L HA . 16484 1 15 . 1 1 3 3 LEU HB2 H 1 1.550 0.05 . 2 . . . . 3 L HB1 . 16484 1 16 . 1 1 3 3 LEU HB3 H 1 1.651 0.05 . 2 . . . . 3 L HB2 . 16484 1 17 . 1 1 3 3 LEU HD11 H 1 0.908 0.05 . 2 . . . . 3 L HD11 . 16484 1 18 . 1 1 3 3 LEU HD12 H 1 0.908 0.05 . 2 . . . . 3 L HD11 . 16484 1 19 . 1 1 3 3 LEU HD13 H 1 0.908 0.05 . 2 . . . . 3 L HD11 . 16484 1 20 . 1 1 3 3 LEU HD21 H 1 0.852 0.05 . 2 . . . . 3 L HD21 . 16484 1 21 . 1 1 3 3 LEU HD22 H 1 0.852 0.05 . 2 . . . . 3 L HD21 . 16484 1 22 . 1 1 3 3 LEU HD23 H 1 0.852 0.05 . 2 . . . . 3 L HD21 . 16484 1 23 . 1 1 3 3 LEU HG H 1 1.642 0.05 . 1 . . . . 3 L HG . 16484 1 24 . 1 1 3 3 LEU CA C 13 54.130 0.5 . 1 . . . . 3 L CA . 16484 1 25 . 1 1 3 3 LEU CB C 13 40.374 0.5 . 1 . . . . 3 L CB . 16484 1 26 . 1 1 3 3 LEU CD1 C 13 23.400 0.5 . 1 . . . . 3 L CD1 . 16484 1 27 . 1 1 3 3 LEU CD2 C 13 22.300 0.5 . 1 . . . . 3 L CD2 . 16484 1 28 . 1 1 3 3 LEU CG C 13 25.300 0.5 . 1 . . . . 3 L CG . 16484 1 29 . 1 1 3 3 LEU N N 15 124.500 0.5 . 1 . . . . 3 L N . 16484 1 30 . 1 1 4 4 GLY H H 1 8.460 0.05 . 1 . . . . 4 G HN . 16484 1 31 . 1 1 4 4 GLY HA2 H 1 3.904 0.05 . 2 . . . . 4 G HA1 . 16484 1 32 . 1 1 4 4 GLY HA3 H 1 3.904 0.05 . 2 . . . . 4 G HA2 . 16484 1 33 . 1 1 4 4 GLY CA C 13 43.500 0.5 . 1 . . . . 4 G CA . 16484 1 34 . 1 1 4 4 GLY N N 15 110.700 0.5 . 1 . . . . 4 G N . 16484 1 35 . 1 1 5 5 SER H H 1 8.120 0.05 . 1 . . . . 5 S HN . 16484 1 36 . 1 1 5 5 SER HA H 1 4.400 0.05 . 1 . . . . 5 S HA . 16484 1 37 . 1 1 5 5 SER HB2 H 1 3.813 0.05 . 2 . . . . 5 S HB1 . 16484 1 38 . 1 1 5 5 SER HB3 H 1 3.813 0.05 . 2 . . . . 5 S HB2 . 16484 1 39 . 1 1 5 5 SER CA C 13 56.600 0.5 . 1 . . . . 5 S CA . 16484 1 40 . 1 1 5 5 SER CB C 13 62.500 0.5 . 1 . . . . 5 S CB . 16484 1 41 . 1 1 5 5 SER N N 15 116.300 0.5 . 1 . . . . 5 S N . 16484 1 42 . 1 1 6 6 MET H H 1 8.520 0.05 . 1 . . . . 6 M HN . 16484 1 43 . 1 1 6 6 MET HA H 1 4.700 0.05 . 1 . . . . 6 M HA . 16484 1 44 . 1 1 6 6 MET HB2 H 1 1.975 0.05 . 2 . . . . 6 M HB1 . 16484 1 45 . 1 1 6 6 MET HB3 H 1 2.185 0.05 . 2 . . . . 6 M HB2 . 16484 1 46 . 1 1 6 6 MET HE1 H 1 2.060 0.05 . 1 . . . . 6 M HE1 . 16484 1 47 . 1 1 6 6 MET HE2 H 1 2.060 0.05 . 1 . . . . 6 M HE1 . 16484 1 48 . 1 1 6 6 MET HE3 H 1 2.060 0.05 . 1 . . . . 6 M HE1 . 16484 1 49 . 1 1 6 6 MET HG2 H 1 2.554 0.05 . 2 . . . . 6 M HG1 . 16484 1 50 . 1 1 6 6 MET HG3 H 1 2.685 0.05 . 2 . . . . 6 M HG2 . 16484 1 51 . 1 1 6 6 MET CA C 13 52.800 0.5 . 1 . . . . 6 M CA . 16484 1 52 . 1 1 6 6 MET CB C 13 29.330 0.5 . 1 . . . . 6 M CB . 16484 1 53 . 1 1 6 6 MET CE C 13 15.300 0.5 . 1 . . . . 6 M CE . 16484 1 54 . 1 1 6 6 MET CG C 13 30.500 0.5 . 1 . . . . 6 M CG . 16484 1 55 . 1 1 6 6 MET N N 15 124.300 0.5 . 1 . . . . 6 M N . 16484 1 56 . 1 1 7 7 PRO HA H 1 3.910 0.05 . 1 . . . . 7 P HA . 16484 1 57 . 1 1 7 7 PRO HB2 H 1 1.920 0.05 . 2 . . . . 7 P HB1 . 16484 1 58 . 1 1 7 7 PRO HB3 H 1 2.265 0.05 . 2 . . . . 7 P HB2 . 16484 1 59 . 1 1 7 7 PRO HD2 H 1 3.820 0.05 . 2 . . . . 7 P HD1 . 16484 1 60 . 1 1 7 7 PRO HD3 H 1 3.820 0.05 . 2 . . . . 7 P HD2 . 16484 1 61 . 1 1 7 7 PRO HG2 H 1 2.050 0.05 . 2 . . . . 7 P HG1 . 16484 1 62 . 1 1 7 7 PRO HG3 H 1 2.100 0.05 . 2 . . . . 7 P HG2 . 16484 1 63 . 1 1 7 7 PRO CA C 13 63.300 0.5 . 1 . . . . 7 P CA . 16484 1 64 . 1 1 7 7 PRO CB C 13 30.600 0.5 . 1 . . . . 7 P CB . 16484 1 65 . 1 1 7 7 PRO CD C 13 48.500 0.5 . 1 . . . . 7 P CD . 16484 1 66 . 1 1 7 7 PRO CG C 13 25.400 0.5 . 1 . . . . 7 P CG . 16484 1 67 . 1 1 8 8 GLU H H 1 9.240 0.05 . 1 . . . . 8 E HN . 16484 1 68 . 1 1 8 8 GLU HA H 1 3.900 0.05 . 1 . . . . 8 E HA . 16484 1 69 . 1 1 8 8 GLU HB2 H 1 1.910 0.05 . 2 . . . . 8 E HB1 . 16484 1 70 . 1 1 8 8 GLU HB3 H 1 1.910 0.05 . 2 . . . . 8 E HB2 . 16484 1 71 . 1 1 8 8 GLU HG2 H 1 2.180 0.05 . 2 . . . . 8 E HG1 . 16484 1 72 . 1 1 8 8 GLU HG3 H 1 2.180 0.05 . 2 . . . . 8 E HG2 . 16484 1 73 . 1 1 8 8 GLU CA C 13 56.800 0.5 . 1 . . . . 8 E CA . 16484 1 74 . 1 1 8 8 GLU CB C 13 27.300 0.5 . 1 . . . . 8 E CB . 16484 1 75 . 1 1 8 8 GLU CG C 13 35.000 0.5 . 1 . . . . 8 E CG . 16484 1 76 . 1 1 9 9 VAL H H 1 7.550 0.05 . 1 . . . . 9 V HN . 16484 1 77 . 1 1 9 9 VAL HA H 1 3.900 0.05 . 1 . . . . 9 V HA . 16484 1 78 . 1 1 9 9 VAL HB H 1 2.088 0.05 . 1 . . . . 9 V HB . 16484 1 79 . 1 1 9 9 VAL HG11 H 1 0.902 0.05 . 2 . . . . 9 V HG11 . 16484 1 80 . 1 1 9 9 VAL HG12 H 1 0.902 0.05 . 2 . . . . 9 V HG11 . 16484 1 81 . 1 1 9 9 VAL HG13 H 1 0.902 0.05 . 2 . . . . 9 V HG11 . 16484 1 82 . 1 1 9 9 VAL HG21 H 1 0.900 0.05 . 2 . . . . 9 V HG21 . 16484 1 83 . 1 1 9 9 VAL HG22 H 1 0.900 0.05 . 2 . . . . 9 V HG21 . 16484 1 84 . 1 1 9 9 VAL HG23 H 1 0.900 0.05 . 2 . . . . 9 V HG21 . 16484 1 85 . 1 1 9 9 VAL CA C 13 62.200 0.5 . 1 . . . . 9 V CA . 16484 1 86 . 1 1 9 9 VAL CB C 13 30.640 0.5 . 1 . . . . 9 V CB . 16484 1 87 . 1 1 9 9 VAL CG1 C 13 18.740 0.5 . 1 . . . . 9 V CG1 . 16484 1 88 . 1 1 9 9 VAL CG2 C 13 20.000 0.5 . 1 . . . . 9 V CG2 . 16484 1 89 . 1 1 10 10 ARG H H 1 8.150 0.05 . 1 . . . . 10 R HN . 16484 1 90 . 1 1 10 10 ARG HA H 1 3.890 0.05 . 1 . . . . 10 R HA . 16484 1 91 . 1 1 10 10 ARG HB2 H 1 1.065 0.05 . 2 . . . . 10 R HB1 . 16484 1 92 . 1 1 10 10 ARG HB3 H 1 1.345 0.05 . 2 . . . . 10 R HB2 . 16484 1 93 . 1 1 10 10 ARG HD2 H 1 2.671 0.05 . 2 . . . . 10 R HD1 . 16484 1 94 . 1 1 10 10 ARG HD3 H 1 2.809 0.05 . 2 . . . . 10 R HD2 . 16484 1 95 . 1 1 10 10 ARG HG2 H 1 0.900 0.05 . 2 . . . . 10 R HG1 . 16484 1 96 . 1 1 10 10 ARG HG3 H 1 1.180 0.05 . 2 . . . . 10 R HG2 . 16484 1 97 . 1 1 10 10 ARG CA C 13 57.012 0.5 . 1 . . . . 10 R CA . 16484 1 98 . 1 1 10 10 ARG CB C 13 29.120 0.5 . 1 . . . . 10 R CB . 16484 1 99 . 1 1 10 10 ARG CD C 13 42.200 0.5 . 1 . . . . 10 R CD . 16484 1 100 . 1 1 10 10 ARG CG C 13 24.800 0.5 . 1 . . . . 10 R CG . 16484 1 101 . 1 1 10 10 ARG N N 15 124.160 0.5 . 1 . . . . 10 R N . 16484 1 102 . 1 1 11 11 PHE H H 1 8.220 0.05 . 1 . . . . 11 F HN . 16484 1 103 . 1 1 11 11 PHE HA H 1 5.420 0.05 . 1 . . . . 11 F HA . 16484 1 104 . 1 1 11 11 PHE HB2 H 1 2.750 0.05 . 2 . . . . 11 F HB1 . 16484 1 105 . 1 1 11 11 PHE HB3 H 1 3.430 0.05 . 2 . . . . 11 F HB2 . 16484 1 106 . 1 1 11 11 PHE HD1 H 1 7.030 0.05 . 3 . . . . 11 F HD1 . 16484 1 107 . 1 1 11 11 PHE HD2 H 1 7.030 0.05 . 3 . . . . 11 F HD2 . 16484 1 108 . 1 1 11 11 PHE HE1 H 1 6.980 0.05 . 3 . . . . 11 F HE1 . 16484 1 109 . 1 1 11 11 PHE HE2 H 1 6.980 0.05 . 3 . . . . 11 F HE2 . 16484 1 110 . 1 1 11 11 PHE HZ H 1 7.190 0.05 . 1 . . . . 11 F HZ . 16484 1 111 . 1 1 11 11 PHE CA C 13 53.500 0.5 . 1 . . . . 11 F CA . 16484 1 112 . 1 1 11 11 PHE CB C 13 36.500 0.5 . 1 . . . . 11 F CB . 16484 1 113 . 1 1 11 11 PHE N N 15 116.100 0.5 . 1 . . . . 11 F N . 16484 1 114 . 1 1 12 12 GLN H H 1 7.410 0.05 . 1 . . . . 12 Q HN . 16484 1 115 . 1 1 12 12 GLN HA H 1 3.920 0.05 . 1 . . . . 12 Q HA . 16484 1 116 . 1 1 12 12 GLN HB2 H 1 2.110 0.05 . 2 . . . . 12 Q HB1 . 16484 1 117 . 1 1 12 12 GLN HB3 H 1 2.384 0.05 . 2 . . . . 12 Q HB2 . 16484 1 118 . 1 1 12 12 GLN HE21 H 1 7.700 0.05 . 2 . . . . 12 Q HE21 . 16484 1 119 . 1 1 12 12 GLN HE22 H 1 6.920 0.05 . 2 . . . . 12 Q HE22 . 16484 1 120 . 1 1 12 12 GLN HG2 H 1 2.414 0.05 . 2 . . . . 12 Q HG1 . 16484 1 121 . 1 1 12 12 GLN HG3 H 1 2.414 0.05 . 2 . . . . 12 Q HG2 . 16484 1 122 . 1 1 12 12 GLN CA C 13 59.125 0.5 . 1 . . . . 12 Q CA . 16484 1 123 . 1 1 12 12 GLN CB C 13 27.250 0.5 . 1 . . . . 12 Q CB . 16484 1 124 . 1 1 12 12 GLN CG C 13 31.590 0.5 . 1 . . . . 12 Q CG . 16484 1 125 . 1 1 12 12 GLN N N 15 121.500 0.5 . 1 . . . . 12 Q N . 16484 1 126 . 1 1 12 12 GLN NE2 N 15 113.800 0.5 . 1 . . . . 12 Q NE2 . 16484 1 127 . 1 1 13 13 GLN H H 1 9.070 0.05 . 1 . . . . 13 Q HN . 16484 1 128 . 1 1 13 13 GLN HA H 1 4.090 0.05 . 1 . . . . 13 Q HA . 16484 1 129 . 1 1 13 13 GLN HB2 H 1 2.080 0.05 . 2 . . . . 13 Q HB1 . 16484 1 130 . 1 1 13 13 GLN HB3 H 1 2.080 0.05 . 2 . . . . 13 Q HB2 . 16484 1 131 . 1 1 13 13 GLN HE21 H 1 7.660 0.05 . 2 . . . . 13 Q HE21 . 16484 1 132 . 1 1 13 13 GLN HE22 H 1 6.920 0.05 . 2 . . . . 13 Q HE22 . 16484 1 133 . 1 1 13 13 GLN HG2 H 1 2.362 0.05 . 2 . . . . 13 Q HG1 . 16484 1 134 . 1 1 13 13 GLN HG3 H 1 2.476 0.05 . 2 . . . . 13 Q HG2 . 16484 1 135 . 1 1 13 13 GLN CA C 13 57.870 0.5 . 1 . . . . 13 Q CA . 16484 1 136 . 1 1 13 13 GLN CB C 13 26.620 0.5 . 1 . . . . 13 Q CB . 16484 1 137 . 1 1 13 13 GLN CG C 13 32.400 0.5 . 1 . . . . 13 Q CG . 16484 1 138 . 1 1 13 13 GLN N N 15 120.180 0.5 . 1 . . . . 13 Q N . 16484 1 139 . 1 1 13 13 GLN NE2 N 15 114.300 0.5 . 1 . . . . 13 Q NE2 . 16484 1 140 . 1 1 14 14 GLN H H 1 9.320 0.05 . 1 . . . . 14 Q HN . 16484 1 141 . 1 1 14 14 GLN HA H 1 3.993 0.05 . 1 . . . . 14 Q HA . 16484 1 142 . 1 1 14 14 GLN HB2 H 1 1.625 0.05 . 2 . . . . 14 Q HB1 . 16484 1 143 . 1 1 14 14 GLN HB3 H 1 2.119 0.05 . 2 . . . . 14 Q HB2 . 16484 1 144 . 1 1 14 14 GLN HE21 H 1 7.980 0.05 . 2 . . . . 14 Q HE21 . 16484 1 145 . 1 1 14 14 GLN HE22 H 1 7.390 0.05 . 2 . . . . 14 Q HE22 . 16484 1 146 . 1 1 14 14 GLN HG2 H 1 2.503 0.05 . 2 . . . . 14 Q HG1 . 16484 1 147 . 1 1 14 14 GLN HG3 H 1 2.668 0.05 . 2 . . . . 14 Q HG2 . 16484 1 148 . 1 1 14 14 GLN CA C 13 59.130 0.5 . 1 . . . . 14 Q CA . 16484 1 149 . 1 1 14 14 GLN CB C 13 27.890 0.5 . 1 . . . . 14 Q CB . 16484 1 150 . 1 1 14 14 GLN CG C 13 32.500 0.5 . 1 . . . . 14 Q CG . 16484 1 151 . 1 1 14 14 GLN N N 15 123.000 0.5 . 1 . . . . 14 Q N . 16484 1 152 . 1 1 14 14 GLN NE2 N 15 114.050 0.5 . 1 . . . . 14 Q NE2 . 16484 1 153 . 1 1 15 15 LEU H H 1 8.780 0.05 . 1 . . . . 15 L HN . 16484 1 154 . 1 1 15 15 LEU HA H 1 3.870 0.05 . 1 . . . . 15 L HA . 16484 1 155 . 1 1 15 15 LEU HB2 H 1 1.500 0.05 . 2 . . . . 15 L HB1 . 16484 1 156 . 1 1 15 15 LEU HB3 H 1 2.010 0.05 . 2 . . . . 15 L HB2 . 16484 1 157 . 1 1 15 15 LEU HD11 H 1 0.893 0.05 . 2 . . . . 15 L HD11 . 16484 1 158 . 1 1 15 15 LEU HD12 H 1 0.893 0.05 . 2 . . . . 15 L HD11 . 16484 1 159 . 1 1 15 15 LEU HD13 H 1 0.893 0.05 . 2 . . . . 15 L HD11 . 16484 1 160 . 1 1 15 15 LEU HD21 H 1 0.809 0.05 . 2 . . . . 15 L HD21 . 16484 1 161 . 1 1 15 15 LEU HD22 H 1 0.809 0.05 . 2 . . . . 15 L HD21 . 16484 1 162 . 1 1 15 15 LEU HD23 H 1 0.809 0.05 . 2 . . . . 15 L HD21 . 16484 1 163 . 1 1 15 15 LEU HG H 1 1.652 0.05 . 1 . . . . 15 L HG . 16484 1 164 . 1 1 15 15 LEU CA C 13 56.604 0.5 . 1 . . . . 15 L CA . 16484 1 165 . 1 1 15 15 LEU CB C 13 39.750 0.5 . 1 . . . . 15 L CB . 16484 1 166 . 1 1 15 15 LEU CD1 C 13 24.100 0.5 . 1 . . . . 15 L CD1 . 16484 1 167 . 1 1 15 15 LEU CD2 C 13 22.800 0.5 . 1 . . . . 15 L CD2 . 16484 1 168 . 1 1 15 15 LEU CG C 13 24.500 0.5 . 1 . . . . 15 L CG . 16484 1 169 . 1 1 15 15 LEU N N 15 121.520 0.5 . 1 . . . . 15 L N . 16484 1 170 . 1 1 16 16 GLU H H 1 7.880 0.05 . 1 . . . . 16 E HN . 16484 1 171 . 1 1 16 16 GLU HA H 1 4.136 0.05 . 1 . . . . 16 E HA . 16484 1 172 . 1 1 16 16 GLU HB2 H 1 2.186 0.05 . 2 . . . . 16 E HB1 . 16484 1 173 . 1 1 16 16 GLU HB3 H 1 2.186 0.05 . 2 . . . . 16 E HB2 . 16484 1 174 . 1 1 16 16 GLU HG2 H 1 2.336 0.05 . 2 . . . . 16 E HG1 . 16484 1 175 . 1 1 16 16 GLU HG3 H 1 2.461 0.05 . 2 . . . . 16 E HG2 . 16484 1 176 . 1 1 16 16 GLU CA C 13 57.260 0.5 . 1 . . . . 16 E CA . 16484 1 177 . 1 1 16 16 GLU CB C 13 27.250 0.5 . 1 . . . . 16 E CB . 16484 1 178 . 1 1 16 16 GLU CG C 13 34.200 0.5 . 1 . . . . 16 E CG . 16484 1 179 . 1 1 16 16 GLU N N 15 122.780 0.5 . 1 . . . . 16 E N . 16484 1 180 . 1 1 17 17 GLN H H 1 8.330 0.05 . 1 . . . . 17 Q HN . 16484 1 181 . 1 1 17 17 GLN HA H 1 4.060 0.05 . 1 . . . . 17 Q HA . 16484 1 182 . 1 1 17 17 GLN HB2 H 1 1.950 0.05 . 2 . . . . 17 Q HB1 . 16484 1 183 . 1 1 17 17 GLN HB3 H 1 2.180 0.05 . 2 . . . . 17 Q HB2 . 16484 1 184 . 1 1 17 17 GLN HE21 H 1 7.290 0.05 . 2 . . . . 17 Q HE21 . 16484 1 185 . 1 1 17 17 GLN HE22 H 1 6.830 0.05 . 2 . . . . 17 Q HE22 . 16484 1 186 . 1 1 17 17 GLN HG2 H 1 2.326 0.05 . 2 . . . . 17 Q HG1 . 16484 1 187 . 1 1 17 17 GLN HG3 H 1 2.476 0.05 . 2 . . . . 17 Q HG2 . 16484 1 188 . 1 1 17 17 GLN CA C 13 57.770 0.5 . 1 . . . . 17 Q CA . 16484 1 189 . 1 1 17 17 GLN CB C 13 26.200 0.5 . 1 . . . . 17 Q CB . 16484 1 190 . 1 1 17 17 GLN CG C 13 32.300 0.5 . 1 . . . . 17 Q CG . 16484 1 191 . 1 1 17 17 GLN N N 15 123.030 0.5 . 1 . . . . 17 Q N . 16484 1 192 . 1 1 17 17 GLN NE2 N 15 112.000 0.5 . 1 . . . . 17 Q NE2 . 16484 1 193 . 1 1 18 18 LEU H H 1 8.780 0.05 . 1 . . . . 18 L HN . 16484 1 194 . 1 1 18 18 LEU HA H 1 4.140 0.05 . 1 . . . . 18 L HA . 16484 1 195 . 1 1 18 18 LEU HB2 H 1 1.490 0.05 . 2 . . . . 18 L HB1 . 16484 1 196 . 1 1 18 18 LEU HB3 H 1 1.893 0.05 . 2 . . . . 18 L HB2 . 16484 1 197 . 1 1 18 18 LEU HD11 H 1 0.517 0.05 . 2 . . . . 18 L HD11 . 16484 1 198 . 1 1 18 18 LEU HD12 H 1 0.517 0.05 . 2 . . . . 18 L HD11 . 16484 1 199 . 1 1 18 18 LEU HD13 H 1 0.517 0.05 . 2 . . . . 18 L HD11 . 16484 1 200 . 1 1 18 18 LEU HD21 H 1 0.513 0.05 . 2 . . . . 18 L HD21 . 16484 1 201 . 1 1 18 18 LEU HD22 H 1 0.513 0.05 . 2 . . . . 18 L HD21 . 16484 1 202 . 1 1 18 18 LEU HD23 H 1 0.513 0.05 . 2 . . . . 18 L HD21 . 16484 1 203 . 1 1 18 18 LEU HG H 1 1.756 0.05 . 1 . . . . 18 L HG . 16484 1 204 . 1 1 18 18 LEU CA C 13 57.260 0.5 . 1 . . . . 18 L CA . 16484 1 205 . 1 1 18 18 LEU CB C 13 39.350 0.5 . 1 . . . . 18 L CB . 16484 1 206 . 1 1 18 18 LEU CD1 C 13 21.700 0.5 . 1 . . . . 18 L CD1 . 16484 1 207 . 1 1 18 18 LEU CD2 C 13 24.700 0.5 . 1 . . . . 18 L CD2 . 16484 1 208 . 1 1 18 18 LEU CG C 13 24.900 0.5 . 1 . . . . 18 L CG . 16484 1 209 . 1 1 18 18 LEU N N 15 121.520 0.5 . 1 . . . . 18 L N . 16484 1 210 . 1 1 19 19 ASN H H 1 7.950 0.05 . 1 . . . . 19 N HN . 16484 1 211 . 1 1 19 19 ASN HA H 1 4.376 0.05 . 1 . . . . 19 N HA . 16484 1 212 . 1 1 19 19 ASN HB2 H 1 2.755 0.05 . 2 . . . . 19 N HB1 . 16484 1 213 . 1 1 19 19 ASN HB3 H 1 2.907 0.05 . 2 . . . . 19 N HB2 . 16484 1 214 . 1 1 19 19 ASN HD21 H 1 7.950 0.05 . 2 . . . . 19 N HD21 . 16484 1 215 . 1 1 19 19 ASN HD22 H 1 7.040 0.05 . 2 . . . . 19 N HD22 . 16484 1 216 . 1 1 19 19 ASN CA C 13 56.009 0.5 . 1 . . . . 19 N CA . 16484 1 217 . 1 1 19 19 ASN CB C 13 37.890 0.5 . 1 . . . . 19 N CB . 16484 1 218 . 1 1 19 19 ASN N N 15 120.030 0.5 . 1 . . . . 19 N N . 16484 1 219 . 1 1 19 19 ASN ND2 N 15 115.300 0.5 . 1 . . . . 19 N ND2 . 16484 1 220 . 1 1 20 20 SER H H 1 8.340 0.05 . 1 . . . . 20 S HN . 16484 1 221 . 1 1 20 20 SER HA H 1 4.230 0.05 . 1 . . . . 20 S HA . 16484 1 222 . 1 1 20 20 SER HB2 H 1 4.056 0.05 . 2 . . . . 20 S HB1 . 16484 1 223 . 1 1 20 20 SER HB3 H 1 4.120 0.05 . 2 . . . . 20 S HB2 . 16484 1 224 . 1 1 20 20 SER CA C 13 59.736 0.5 . 1 . . . . 20 S CA . 16484 1 225 . 1 1 20 20 SER CB C 13 61.100 0.5 . 1 . . . . 20 S CB . 16484 1 226 . 1 1 20 20 SER N N 15 118.690 0.5 . 1 . . . . 20 S N . 16484 1 227 . 1 1 21 21 MET H H 1 7.670 0.05 . 1 . . . . 21 M HN . 16484 1 228 . 1 1 21 21 MET HA H 1 4.365 0.05 . 1 . . . . 21 M HA . 16484 1 229 . 1 1 21 21 MET HB2 H 1 2.352 0.05 . 2 . . . . 21 M HB1 . 16484 1 230 . 1 1 21 21 MET HB3 H 1 2.475 0.05 . 2 . . . . 21 M HB2 . 16484 1 231 . 1 1 21 21 MET HE1 H 1 2.135 0.05 . 1 . . . . 21 M HE1 . 16484 1 232 . 1 1 21 21 MET HE2 H 1 2.135 0.05 . 1 . . . . 21 M HE1 . 16484 1 233 . 1 1 21 21 MET HE3 H 1 2.135 0.05 . 1 . . . . 21 M HE1 . 16484 1 234 . 1 1 21 21 MET HG2 H 1 2.598 0.05 . 2 . . . . 21 M HG1 . 16484 1 235 . 1 1 21 21 MET HG3 H 1 2.872 0.05 . 2 . . . . 21 M HG2 . 16484 1 236 . 1 1 21 21 MET CA C 13 54.759 0.5 . 1 . . . . 21 M CA . 16484 1 237 . 1 1 21 21 MET CB C 13 32.668 0.5 . 1 . . . . 21 M CB . 16484 1 238 . 1 1 21 21 MET CE C 13 15.800 0.5 . 1 . . . . 21 M CE . 16484 1 239 . 1 1 21 21 MET CG C 13 30.879 0.5 . 1 . . . . 21 M CG . 16484 1 240 . 1 1 21 21 MET N N 15 120.800 0.5 . 1 . . . . 21 M N . 16484 1 241 . 1 1 22 22 GLY H H 1 7.790 0.05 . 1 . . . . 22 G HN . 16484 1 242 . 1 1 22 22 GLY HA2 H 1 3.472 0.05 . 2 . . . . 22 G HA1 . 16484 1 243 . 1 1 22 22 GLY HA3 H 1 4.110 0.05 . 2 . . . . 22 G HA2 . 16484 1 244 . 1 1 22 22 GLY CA C 13 43.500 0.5 . 1 . . . . 22 G CA . 16484 1 245 . 1 1 22 22 GLY N N 15 107.100 0.5 . 1 . . . . 22 G N . 16484 1 246 . 1 1 23 23 PHE H H 1 7.895 0.05 . 1 . . . . 23 F HN . 16484 1 247 . 1 1 23 23 PHE HA H 1 4.630 0.05 . 1 . . . . 23 F HA . 16484 1 248 . 1 1 23 23 PHE HB2 H 1 2.766 0.05 . 2 . . . . 23 F HB1 . 16484 1 249 . 1 1 23 23 PHE HB3 H 1 3.476 0.05 . 2 . . . . 23 F HB2 . 16484 1 250 . 1 1 23 23 PHE HD1 H 1 7.250 0.05 . 3 . . . . 23 F HD1 . 16484 1 251 . 1 1 23 23 PHE HD2 H 1 7.250 0.05 . 3 . . . . 23 F HD2 . 16484 1 252 . 1 1 23 23 PHE HE1 H 1 6.900 0.05 . 3 . . . . 23 F HE1 . 16484 1 253 . 1 1 23 23 PHE HE2 H 1 6.900 0.05 . 3 . . . . 23 F HE2 . 16484 1 254 . 1 1 23 23 PHE HZ H 1 7.140 0.05 . 1 . . . . 23 F HZ . 16484 1 255 . 1 1 23 23 PHE CA C 13 56.014 0.5 . 1 . . . . 23 F CA . 16484 1 256 . 1 1 23 23 PHE CB C 13 35.380 0.5 . 1 . . . . 23 F CB . 16484 1 257 . 1 1 23 23 PHE N N 15 124.390 0.5 . 1 . . . . 23 F N . 16484 1 258 . 1 1 24 24 ILE H H 1 7.790 0.05 . 1 . . . . 24 I HN . 16484 1 259 . 1 1 24 24 ILE HA H 1 4.450 0.05 . 1 . . . . 24 I HA . 16484 1 260 . 1 1 24 24 ILE HB H 1 2.216 0.05 . 1 . . . . 24 I HB . 16484 1 261 . 1 1 24 24 ILE HD11 H 1 0.830 0.05 . 1 . . . . 24 I HD11 . 16484 1 262 . 1 1 24 24 ILE HD12 H 1 0.830 0.05 . 1 . . . . 24 I HD11 . 16484 1 263 . 1 1 24 24 ILE HD13 H 1 0.830 0.05 . 1 . . . . 24 I HD11 . 16484 1 264 . 1 1 24 24 ILE HG12 H 1 1.107 0.05 . 1 . . . . 24 I HG11 . 16484 1 265 . 1 1 24 24 ILE HG13 H 1 1.203 0.05 . 1 . . . . 24 I HG12 . 16484 1 266 . 1 1 24 24 ILE HG21 H 1 0.807 0.05 . 2 . . . . 24 I HG21 . 16484 1 267 . 1 1 24 24 ILE HG22 H 1 0.807 0.05 . 2 . . . . 24 I HG21 . 16484 1 268 . 1 1 24 24 ILE HG23 H 1 0.807 0.05 . 2 . . . . 24 I HG21 . 16484 1 269 . 1 1 24 24 ILE CA C 13 60.380 0.5 . 1 . . . . 24 I CA . 16484 1 270 . 1 1 24 24 ILE CB C 13 36.608 0.5 . 1 . . . . 24 I CB . 16484 1 271 . 1 1 24 24 ILE CD1 C 13 12.536 0.5 . 1 . . . . 24 I CD1 . 16484 1 272 . 1 1 24 24 ILE CG1 C 13 24.700 0.5 . 2 . . . . 24 I CG1 . 16484 1 273 . 1 1 24 24 ILE CG2 C 13 16.026 0.5 . 1 . . . . 24 I CG2 . 16484 1 274 . 1 1 24 24 ILE N N 15 117.130 0.5 . 1 . . . . 24 I N . 16484 1 275 . 1 1 25 25 ASN H H 1 9.100 0.05 . 1 . . . . 25 N HN . 16484 1 276 . 1 1 25 25 ASN HA H 1 4.770 0.05 . 1 . . . . 25 N HA . 16484 1 277 . 1 1 25 25 ASN HB2 H 1 2.609 0.05 . 2 . . . . 25 N HB1 . 16484 1 278 . 1 1 25 25 ASN HB3 H 1 3.331 0.05 . 2 . . . . 25 N HB2 . 16484 1 279 . 1 1 25 25 ASN HD21 H 1 7.790 0.05 . 2 . . . . 25 N HD21 . 16484 1 280 . 1 1 25 25 ASN HD22 H 1 7.070 0.05 . 2 . . . . 25 N HD22 . 16484 1 281 . 1 1 25 25 ASN CA C 13 50.376 0.5 . 1 . . . . 25 N CA . 16484 1 282 . 1 1 25 25 ASN CB C 13 36.018 0.5 . 1 . . . . 25 N CB . 16484 1 283 . 1 1 25 25 ASN N N 15 125.660 0.5 . 1 . . . . 25 N N . 16484 1 284 . 1 1 25 25 ASN ND2 N 15 114.300 0.5 . 1 . . . . 25 N ND2 . 16484 1 285 . 1 1 26 26 ARG H H 1 8.410 0.05 . 1 . . . . 26 R HN . 16484 1 286 . 1 1 26 26 ARG HA H 1 3.783 0.05 . 1 . . . . 26 R HA . 16484 1 287 . 1 1 26 26 ARG HB2 H 1 1.760 0.05 . 2 . . . . 26 R HB1 . 16484 1 288 . 1 1 26 26 ARG HB3 H 1 1.862 0.05 . 2 . . . . 26 R HB2 . 16484 1 289 . 1 1 26 26 ARG HD2 H 1 3.174 0.05 . 2 . . . . 26 R HD1 . 16484 1 290 . 1 1 26 26 ARG HD3 H 1 3.206 0.05 . 2 . . . . 26 R HD2 . 16484 1 291 . 1 1 26 26 ARG HG2 H 1 1.574 0.05 . 2 . . . . 26 R HG1 . 16484 1 292 . 1 1 26 26 ARG HG3 H 1 1.730 0.05 . 2 . . . . 26 R HG2 . 16484 1 293 . 1 1 26 26 ARG HH11 H 1 7.560 0.05 . 1 . . . . 26 R HH11 . 16484 1 294 . 1 1 26 26 ARG CA C 13 58.510 0.5 . 1 . . . . 26 R CA . 16484 1 295 . 1 1 26 26 ARG CB C 13 29.100 0.5 . 1 . . . . 26 R CB . 16484 1 296 . 1 1 26 26 ARG CD C 13 41.650 0.5 . 1 . . . . 26 R CD . 16484 1 297 . 1 1 26 26 ARG CG C 13 26.600 0.5 . 1 . . . . 26 R CG . 16484 1 298 . 1 1 26 26 ARG N N 15 128.480 0.5 . 1 . . . . 26 R N . 16484 1 299 . 1 1 27 27 GLU H H 1 8.320 0.05 . 1 . . . . 27 E HN . 16484 1 300 . 1 1 27 27 GLU HA H 1 3.950 0.05 . 1 . . . . 27 E HA . 16484 1 301 . 1 1 27 27 GLU HB2 H 1 2.050 0.05 . 2 . . . . 27 E HB1 . 16484 1 302 . 1 1 27 27 GLU HB3 H 1 2.080 0.05 . 2 . . . . 27 E HB2 . 16484 1 303 . 1 1 27 27 GLU HG2 H 1 2.270 0.05 . 2 . . . . 27 E HG1 . 16484 1 304 . 1 1 27 27 GLU HG3 H 1 2.300 0.05 . 2 . . . . 27 E HG2 . 16484 1 305 . 1 1 27 27 GLU CA C 13 58.503 0.5 . 1 . . . . 27 E CA . 16484 1 306 . 1 1 27 27 GLU CB C 13 27.000 0.5 . 1 . . . . 27 E CB . 16484 1 307 . 1 1 27 27 GLU CG C 13 34.740 0.5 . 1 . . . . 27 E CG . 16484 1 308 . 1 1 27 27 GLU N N 15 119.240 0.5 . 1 . . . . 27 E N . 16484 1 309 . 1 1 28 28 ALA H H 1 7.640 0.05 . 1 . . . . 28 A HN . 16484 1 310 . 1 1 28 28 ALA HA H 1 4.000 0.05 . 1 . . . . 28 A HA . 16484 1 311 . 1 1 28 28 ALA HB1 H 1 1.330 0.05 . 1 . . . . 28 A HB1 . 16484 1 312 . 1 1 28 28 ALA HB2 H 1 1.330 0.05 . 1 . . . . 28 A HB1 . 16484 1 313 . 1 1 28 28 ALA HB3 H 1 1.330 0.05 . 1 . . . . 28 A HB1 . 16484 1 314 . 1 1 28 28 ALA CA C 13 52.880 0.5 . 1 . . . . 28 A CA . 16484 1 315 . 1 1 28 28 ALA CB C 13 16.000 0.5 . 1 . . . . 28 A CB . 16484 1 316 . 1 1 28 28 ALA N N 15 124.670 0.5 . 1 . . . . 28 A N . 16484 1 317 . 1 1 29 29 ASN H H 1 8.650 0.05 . 1 . . . . 29 N HN . 16484 1 318 . 1 1 29 29 ASN HA H 1 4.080 0.05 . 1 . . . . 29 N HA . 16484 1 319 . 1 1 29 29 ASN HB2 H 1 2.265 0.05 . 2 . . . . 29 N HB1 . 16484 1 320 . 1 1 29 29 ASN HB3 H 1 2.967 0.05 . 2 . . . . 29 N HB2 . 16484 1 321 . 1 1 29 29 ASN HD21 H 1 7.390 0.05 . 2 . . . . 29 N HD21 . 16484 1 322 . 1 1 29 29 ASN HD22 H 1 6.650 0.05 . 2 . . . . 29 N HD22 . 16484 1 323 . 1 1 29 29 ASN CA C 13 54.110 0.5 . 1 . . . . 29 N CA . 16484 1 324 . 1 1 29 29 ASN CB C 13 36.630 0.5 . 1 . . . . 29 N CB . 16484 1 325 . 1 1 29 29 ASN N N 15 122.140 0.5 . 1 . . . . 29 N N . 16484 1 326 . 1 1 29 29 ASN ND2 N 15 108.100 0.5 . 1 . . . . 29 N ND2 . 16484 1 327 . 1 1 30 30 LEU H H 1 8.456 0.05 . 1 . . . . 30 L HN . 16484 1 328 . 1 1 30 30 LEU HA H 1 3.860 0.05 . 1 . . . . 30 L HA . 16484 1 329 . 1 1 30 30 LEU HB2 H 1 1.635 0.05 . 2 . . . . 30 L HB1 . 16484 1 330 . 1 1 30 30 LEU HB3 H 1 1.872 0.05 . 2 . . . . 30 L HB2 . 16484 1 331 . 1 1 30 30 LEU HD11 H 1 0.925 0.05 . 2 . . . . 30 L HD11 . 16484 1 332 . 1 1 30 30 LEU HD12 H 1 0.925 0.05 . 2 . . . . 30 L HD11 . 16484 1 333 . 1 1 30 30 LEU HD13 H 1 0.925 0.05 . 2 . . . . 30 L HD11 . 16484 1 334 . 1 1 30 30 LEU HD21 H 1 0.950 0.05 . 2 . . . . 30 L HD21 . 16484 1 335 . 1 1 30 30 LEU HD22 H 1 0.950 0.05 . 2 . . . . 30 L HD21 . 16484 1 336 . 1 1 30 30 LEU HD23 H 1 0.950 0.05 . 2 . . . . 30 L HD21 . 16484 1 337 . 1 1 30 30 LEU HG H 1 1.681 0.05 . 1 . . . . 30 L HG . 16484 1 338 . 1 1 30 30 LEU CA C 13 56.630 0.5 . 1 . . . . 30 L CA . 16484 1 339 . 1 1 30 30 LEU CB C 13 40.371 0.5 . 1 . . . . 30 L CB . 16484 1 340 . 1 1 30 30 LEU CD1 C 13 24.100 0.5 . 1 . . . . 30 L CD1 . 16484 1 341 . 1 1 30 30 LEU CD2 C 13 22.300 0.5 . 1 . . . . 30 L CD2 . 16484 1 342 . 1 1 30 30 LEU CG C 13 25.320 0.5 . 1 . . . . 30 L CG . 16484 1 343 . 1 1 30 30 LEU N N 15 122.060 0.5 . 1 . . . . 30 L N . 16484 1 344 . 1 1 31 31 GLN H H 1 7.924 0.05 . 1 . . . . 31 Q HN . 16484 1 345 . 1 1 31 31 GLN HA H 1 3.880 0.05 . 1 . . . . 31 Q HA . 16484 1 346 . 1 1 31 31 GLN HB2 H 1 2.050 0.05 . 2 . . . . 31 Q HB1 . 16484 1 347 . 1 1 31 31 GLN HB3 H 1 2.070 0.05 . 2 . . . . 31 Q HB2 . 16484 1 348 . 1 1 31 31 GLN HE21 H 1 7.670 0.05 . 2 . . . . 31 Q HE21 . 16484 1 349 . 1 1 31 31 GLN HE22 H 1 6.900 0.05 . 2 . . . . 31 Q HE22 . 16484 1 350 . 1 1 31 31 GLN HG2 H 1 2.360 0.05 . 2 . . . . 31 Q HG1 . 16484 1 351 . 1 1 31 31 GLN HG3 H 1 2.490 0.05 . 2 . . . . 31 Q HG2 . 16484 1 352 . 1 1 31 31 GLN CA C 13 57.040 0.5 . 1 . . . . 31 Q CA . 16484 1 353 . 1 1 31 31 GLN CB C 13 26.630 0.5 . 1 . . . . 31 Q CB . 16484 1 354 . 1 1 31 31 GLN CG C 13 32.200 0.5 . 1 . . . . 31 Q CG . 16484 1 355 . 1 1 31 31 GLN N N 15 117.740 0.5 . 1 . . . . 31 Q N . 16484 1 356 . 1 1 31 31 GLN NE2 N 15 114.300 0.5 . 1 . . . . 31 Q NE2 . 16484 1 357 . 1 1 32 32 ALA H H 1 8.080 0.05 . 1 . . . . 32 A HN . 16484 1 358 . 1 1 32 32 ALA HA H 1 3.980 0.05 . 1 . . . . 32 A HA . 16484 1 359 . 1 1 32 32 ALA HB1 H 1 1.350 0.05 . 1 . . . . 32 A HB1 . 16484 1 360 . 1 1 32 32 ALA HB2 H 1 1.350 0.05 . 1 . . . . 32 A HB1 . 16484 1 361 . 1 1 32 32 ALA HB3 H 1 1.350 0.05 . 1 . . . . 32 A HB1 . 16484 1 362 . 1 1 32 32 ALA CA C 13 53.800 0.5 . 1 . . . . 32 A CA . 16484 1 363 . 1 1 32 32 ALA CB C 13 16.500 0.5 . 1 . . . . 32 A CB . 16484 1 364 . 1 1 32 32 ALA N N 15 123.620 0.5 . 1 . . . . 32 A N . 16484 1 365 . 1 1 33 33 LEU H H 1 8.097 0.05 . 1 . . . . 33 L HN . 16484 1 366 . 1 1 33 33 LEU HA H 1 3.630 0.05 . 1 . . . . 33 L HA . 16484 1 367 . 1 1 33 33 LEU HB2 H 1 0.062 0.05 . 2 . . . . 33 L HB1 . 16484 1 368 . 1 1 33 33 LEU HB3 H 1 1.520 0.05 . 2 . . . . 33 L HB2 . 16484 1 369 . 1 1 33 33 LEU HD11 H 1 0.230 0.05 . 2 . . . . 33 L HD11 . 16484 1 370 . 1 1 33 33 LEU HD12 H 1 0.230 0.05 . 2 . . . . 33 L HD11 . 16484 1 371 . 1 1 33 33 LEU HD13 H 1 0.230 0.05 . 2 . . . . 33 L HD11 . 16484 1 372 . 1 1 33 33 LEU HD21 H 1 0.550 0.05 . 2 . . . . 33 L HD21 . 16484 1 373 . 1 1 33 33 LEU HD22 H 1 0.550 0.05 . 2 . . . . 33 L HD21 . 16484 1 374 . 1 1 33 33 LEU HD23 H 1 0.550 0.05 . 2 . . . . 33 L HD21 . 16484 1 375 . 1 1 33 33 LEU HG H 1 1.372 0.05 . 1 . . . . 33 L HG . 16484 1 376 . 1 1 33 33 LEU CA C 13 55.376 0.5 . 1 . . . . 33 L CA . 16484 1 377 . 1 1 33 33 LEU CB C 13 40.380 0.5 . 1 . . . . 33 L CB . 16484 1 378 . 1 1 33 33 LEU CD1 C 13 21.620 0.5 . 1 . . . . 33 L CD1 . 16484 1 379 . 1 1 33 33 LEU CD2 C 13 25.000 0.5 . 1 . . . . 33 L CD2 . 16484 1 380 . 1 1 33 33 LEU CG C 13 25.300 0.5 . 1 . . . . 33 L CG . 16484 1 381 . 1 1 33 33 LEU N N 15 119.400 0.5 . 1 . . . . 33 L N . 16484 1 382 . 1 1 34 34 ILE H H 1 8.663 0.05 . 1 . . . . 34 I HN . 16484 1 383 . 1 1 34 34 ILE HA H 1 3.659 0.05 . 1 . . . . 34 I HA . 16484 1 384 . 1 1 34 34 ILE HB H 1 1.787 0.05 . 1 . . . . 34 I HB . 16484 1 385 . 1 1 34 34 ILE HD11 H 1 0.837 0.05 . 1 . . . . 34 I HD11 . 16484 1 386 . 1 1 34 34 ILE HD12 H 1 0.837 0.05 . 1 . . . . 34 I HD11 . 16484 1 387 . 1 1 34 34 ILE HD13 H 1 0.837 0.05 . 1 . . . . 34 I HD11 . 16484 1 388 . 1 1 34 34 ILE HG12 H 1 1.046 0.05 . 1 . . . . 34 I HG11 . 16484 1 389 . 1 1 34 34 ILE HG13 H 1 1.886 0.05 . 1 . . . . 34 I HG12 . 16484 1 390 . 1 1 34 34 ILE HG21 H 1 0.880 0.05 . 2 . . . . 34 I HG21 . 16484 1 391 . 1 1 34 34 ILE HG22 H 1 0.880 0.05 . 2 . . . . 34 I HG21 . 16484 1 392 . 1 1 34 34 ILE HG23 H 1 0.880 0.05 . 2 . . . . 34 I HG21 . 16484 1 393 . 1 1 34 34 ILE CA C 13 64.172 0.5 . 1 . . . . 34 I CA . 16484 1 394 . 1 1 34 34 ILE CB C 13 37.263 0.5 . 1 . . . . 34 I CB . 16484 1 395 . 1 1 34 34 ILE CD1 C 13 12.862 0.5 . 1 . . . . 34 I CD1 . 16484 1 396 . 1 1 34 34 ILE CG1 C 13 29.134 0.5 . 2 . . . . 34 I CG1 . 16484 1 397 . 1 1 34 34 ILE CG2 C 13 15.351 0.5 . 1 . . . . 34 I CG2 . 16484 1 398 . 1 1 34 34 ILE N N 15 121.818 0.5 . 1 . . . . 34 I N . 16484 1 399 . 1 1 35 35 ALA H H 1 7.748 0.05 . 1 . . . . 35 A HN . 16484 1 400 . 1 1 35 35 ALA HA H 1 4.132 0.05 . 1 . . . . 35 A HA . 16484 1 401 . 1 1 35 35 ALA HB1 H 1 1.437 0.05 . 1 . . . . 35 A HB1 . 16484 1 402 . 1 1 35 35 ALA HB2 H 1 1.437 0.05 . 1 . . . . 35 A HB1 . 16484 1 403 . 1 1 35 35 ALA HB3 H 1 1.437 0.05 . 1 . . . . 35 A HB1 . 16484 1 404 . 1 1 35 35 ALA CA C 13 52.865 0.5 . 1 . . . . 35 A CA . 16484 1 405 . 1 1 35 35 ALA CB C 13 16.607 0.5 . 1 . . . . 35 A CB . 16484 1 406 . 1 1 35 35 ALA N N 15 122.600 0.5 . 1 . . . . 35 A N . 16484 1 407 . 1 1 36 36 THR H H 1 7.666 0.05 . 1 . . . . 36 T HN . 16484 1 408 . 1 1 36 36 THR HA H 1 4.533 0.05 . 1 . . . . 36 T HA . 16484 1 409 . 1 1 36 36 THR HB H 1 4.622 0.05 . 1 . . . . 36 T HB . 16484 1 410 . 1 1 36 36 THR HG1 H 1 3.850 0.05 . 1 . . . . 36 T HG1 . 16484 1 411 . 1 1 36 36 THR HG21 H 1 0.965 0.05 . 1 . . . . 36 T HG21 . 16484 1 412 . 1 1 36 36 THR HG22 H 1 0.965 0.05 . 1 . . . . 36 T HG21 . 16484 1 413 . 1 1 36 36 THR HG23 H 1 0.965 0.05 . 1 . . . . 36 T HG21 . 16484 1 414 . 1 1 36 36 THR CA C 13 59.120 0.5 . 1 . . . . 36 T CA . 16484 1 415 . 1 1 36 36 THR CB C 13 67.875 0.5 . 1 . . . . 36 T CB . 16484 1 416 . 1 1 36 36 THR CG2 C 13 19.120 0.5 . 1 . . . . 36 T CG2 . 16484 1 417 . 1 1 36 36 THR N N 15 106.920 0.5 . 1 . . . . 36 T N . 16484 1 418 . 1 1 37 37 GLY H H 1 7.710 0.05 . 1 . . . . 37 G HN . 16484 1 419 . 1 1 37 37 GLY HA2 H 1 4.020 0.05 . 2 . . . . 37 G HA1 . 16484 1 420 . 1 1 37 37 GLY HA3 H 1 4.020 0.05 . 2 . . . . 37 G HA2 . 16484 1 421 . 1 1 37 37 GLY CA C 13 45.377 0.5 . 1 . . . . 37 G CA . 16484 1 422 . 1 1 37 37 GLY N N 15 114.180 0.5 . 1 . . . . 37 G N . 16484 1 423 . 1 1 38 38 GLY H H 1 8.870 0.05 . 1 . . . . 38 G HN . 16484 1 424 . 1 1 38 38 GLY HA2 H 1 2.495 0.05 . 2 . . . . 38 G HA1 . 16484 1 425 . 1 1 38 38 GLY HA3 H 1 3.990 0.05 . 2 . . . . 38 G HA2 . 16484 1 426 . 1 1 38 38 GLY CA C 13 44.130 0.5 . 1 . . . . 38 G CA . 16484 1 427 . 1 1 38 38 GLY N N 15 107.460 0.5 . 1 . . . . 38 G N . 16484 1 428 . 1 1 39 39 ASP H H 1 6.880 0.05 . 1 . . . . 39 D HN . 16484 1 429 . 1 1 39 39 ASP HA H 1 4.547 0.05 . 1 . . . . 39 D HA . 16484 1 430 . 1 1 39 39 ASP HB2 H 1 2.606 0.05 . 2 . . . . 39 D HB1 . 16484 1 431 . 1 1 39 39 ASP HB3 H 1 2.849 0.05 . 2 . . . . 39 D HB2 . 16484 1 432 . 1 1 39 39 ASP CA C 13 51.608 0.5 . 1 . . . . 39 D CA . 16484 1 433 . 1 1 39 39 ASP CB C 13 39.767 0.5 . 1 . . . . 39 D CB . 16484 1 434 . 1 1 39 39 ASP N N 15 121.600 0.5 . 1 . . . . 39 D N . 16484 1 435 . 1 1 40 40 ILE H H 1 8.925 0.05 . 1 . . . . 40 I HN . 16484 1 436 . 1 1 40 40 ILE HA H 1 3.546 0.05 . 1 . . . . 40 I HA . 16484 1 437 . 1 1 40 40 ILE HB H 1 1.677 0.05 . 1 . . . . 40 I HB . 16484 1 438 . 1 1 40 40 ILE HD11 H 1 0.778 0.05 . 1 . . . . 40 I HD11 . 16484 1 439 . 1 1 40 40 ILE HD12 H 1 0.778 0.05 . 1 . . . . 40 I HD11 . 16484 1 440 . 1 1 40 40 ILE HD13 H 1 0.778 0.05 . 1 . . . . 40 I HD11 . 16484 1 441 . 1 1 40 40 ILE HG12 H 1 1.178 0.05 . 1 . . . . 40 I HG11 . 16484 1 442 . 1 1 40 40 ILE HG13 H 1 1.331 0.05 . 1 . . . . 40 I HG12 . 16484 1 443 . 1 1 40 40 ILE HG21 H 1 0.850 0.05 . 2 . . . . 40 I HG21 . 16484 1 444 . 1 1 40 40 ILE HG22 H 1 0.850 0.05 . 2 . . . . 40 I HG21 . 16484 1 445 . 1 1 40 40 ILE HG23 H 1 0.850 0.05 . 2 . . . . 40 I HG21 . 16484 1 446 . 1 1 40 40 ILE CA C 13 62.876 0.5 . 1 . . . . 40 I CA . 16484 1 447 . 1 1 40 40 ILE CB C 13 37.246 0.5 . 1 . . . . 40 I CB . 16484 1 448 . 1 1 40 40 ILE CD1 C 13 12.876 0.5 . 1 . . . . 40 I CD1 . 16484 1 449 . 1 1 40 40 ILE CG1 C 13 27.844 0.5 . 2 . . . . 40 I CG1 . 16484 1 450 . 1 1 40 40 ILE CG2 C 13 14.756 0.5 . 1 . . . . 40 I CG2 . 16484 1 451 . 1 1 40 40 ILE N N 15 131.540 0.5 . 1 . . . . 40 I N . 16484 1 452 . 1 1 41 41 ASN H H 1 7.967 0.05 . 1 . . . . 41 N HN . 16484 1 453 . 1 1 41 41 ASN HA H 1 4.350 0.05 . 1 . . . . 41 N HA . 16484 1 454 . 1 1 41 41 ASN HB2 H 1 2.686 0.05 . 2 . . . . 41 N HB1 . 16484 1 455 . 1 1 41 41 ASN HB3 H 1 2.841 0.05 . 2 . . . . 41 N HB2 . 16484 1 456 . 1 1 41 41 ASN HD21 H 1 7.950 0.05 . 2 . . . . 41 N HD21 . 16484 1 457 . 1 1 41 41 ASN HD22 H 1 6.980 0.05 . 2 . . . . 41 N HD22 . 16484 1 458 . 1 1 41 41 ASN CA C 13 55.038 0.5 . 1 . . . . 41 N CA . 16484 1 459 . 1 1 41 41 ASN CB C 13 35.966 0.5 . 1 . . . . 41 N CB . 16484 1 460 . 1 1 41 41 ASN N N 15 121.956 0.5 . 1 . . . . 41 N N . 16484 1 461 . 1 1 41 41 ASN ND2 N 15 115.300 0.5 . 1 . . . . 41 N ND2 . 16484 1 462 . 1 1 42 42 ALA H H 1 8.117 0.05 . 1 . . . . 42 A HN . 16484 1 463 . 1 1 42 42 ALA HA H 1 4.150 0.05 . 1 . . . . 42 A HA . 16484 1 464 . 1 1 42 42 ALA HB1 H 1 1.390 0.05 . 1 . . . . 42 A HB1 . 16484 1 465 . 1 1 42 42 ALA HB2 H 1 1.390 0.05 . 1 . . . . 42 A HB1 . 16484 1 466 . 1 1 42 42 ALA HB3 H 1 1.390 0.05 . 1 . . . . 42 A HB1 . 16484 1 467 . 1 1 42 42 ALA CA C 13 52.873 0.5 . 1 . . . . 42 A CA . 16484 1 468 . 1 1 42 42 ALA CB C 13 16.624 0.5 . 1 . . . . 42 A CB . 16484 1 469 . 1 1 42 42 ALA N N 15 124.990 0.5 . 1 . . . . 42 A N . 16484 1 470 . 1 1 43 43 ALA H H 1 8.371 0.05 . 1 . . . . 43 A HN . 16484 1 471 . 1 1 43 43 ALA HA H 1 3.630 0.05 . 1 . . . . 43 A HA . 16484 1 472 . 1 1 43 43 ALA HB1 H 1 1.095 0.05 . 1 . . . . 43 A HB1 . 16484 1 473 . 1 1 43 43 ALA HB2 H 1 1.095 0.05 . 1 . . . . 43 A HB1 . 16484 1 474 . 1 1 43 43 ALA HB3 H 1 1.095 0.05 . 1 . . . . 43 A HB1 . 16484 1 475 . 1 1 43 43 ALA CA C 13 54.130 0.5 . 1 . . . . 43 A CA . 16484 1 476 . 1 1 43 43 ALA CB C 13 15.373 0.5 . 1 . . . . 43 A CB . 16484 1 477 . 1 1 43 43 ALA N N 15 125.050 0.5 . 1 . . . . 43 A N . 16484 1 478 . 1 1 44 44 ILE H H 1 8.280 0.05 . 1 . . . . 44 I HN . 16484 1 479 . 1 1 44 44 ILE HA H 1 2.991 0.05 . 1 . . . . 44 I HA . 16484 1 480 . 1 1 44 44 ILE HB H 1 1.760 0.05 . 1 . . . . 44 I HB . 16484 1 481 . 1 1 44 44 ILE HD11 H 1 0.768 0.05 . 1 . . . . 44 I HD11 . 16484 1 482 . 1 1 44 44 ILE HD12 H 1 0.768 0.05 . 1 . . . . 44 I HD11 . 16484 1 483 . 1 1 44 44 ILE HD13 H 1 0.768 0.05 . 1 . . . . 44 I HD11 . 16484 1 484 . 1 1 44 44 ILE HG12 H 1 0.304 0.05 . 1 . . . . 44 I HG11 . 16484 1 485 . 1 1 44 44 ILE HG13 H 1 1.579 0.05 . 1 . . . . 44 I HG12 . 16484 1 486 . 1 1 44 44 ILE HG21 H 1 0.829 0.05 . 2 . . . . 44 I HG21 . 16484 1 487 . 1 1 44 44 ILE HG22 H 1 0.829 0.05 . 2 . . . . 44 I HG21 . 16484 1 488 . 1 1 44 44 ILE HG23 H 1 0.829 0.05 . 2 . . . . 44 I HG21 . 16484 1 489 . 1 1 44 44 ILE CA C 13 64.741 0.5 . 1 . . . . 44 I CA . 16484 1 490 . 1 1 44 44 ILE CB C 13 36.621 0.5 . 1 . . . . 44 I CB . 16484 1 491 . 1 1 44 44 ILE CD1 C 13 12.879 0.5 . 1 . . . . 44 I CD1 . 16484 1 492 . 1 1 44 44 ILE CG1 C 13 29.110 0.5 . 2 . . . . 44 I CG1 . 16484 1 493 . 1 1 44 44 ILE CG2 C 13 15.330 0.5 . 1 . . . . 44 I CG2 . 16484 1 494 . 1 1 44 44 ILE N N 15 120.850 0.5 . 1 . . . . 44 I N . 16484 1 495 . 1 1 45 45 GLU H H 1 7.240 0.05 . 1 . . . . 45 E HN . 16484 1 496 . 1 1 45 45 GLU HA H 1 3.900 0.05 . 1 . . . . 45 E HA . 16484 1 497 . 1 1 45 45 GLU HB2 H 1 2.040 0.05 . 2 . . . . 45 E HB1 . 16484 1 498 . 1 1 45 45 GLU HB3 H 1 2.010 0.05 . 2 . . . . 45 E HB2 . 16484 1 499 . 1 1 45 45 GLU HG2 H 1 2.185 0.05 . 2 . . . . 45 E HG1 . 16484 1 500 . 1 1 45 45 GLU HG3 H 1 2.381 0.05 . 2 . . . . 45 E HG2 . 16484 1 501 . 1 1 45 45 GLU CA C 13 57.880 0.5 . 1 . . . . 45 E CA . 16484 1 502 . 1 1 45 45 GLU CB C 13 27.880 0.5 . 1 . . . . 45 E CB . 16484 1 503 . 1 1 45 45 GLU CG C 13 34.800 0.5 . 1 . . . . 45 E CG . 16484 1 504 . 1 1 45 45 GLU N N 15 118.250 0.5 . 1 . . . . 45 E N . 16484 1 505 . 1 1 46 46 ARG H H 1 7.497 0.05 . 1 . . . . 46 R HN . 16484 1 506 . 1 1 46 46 ARG HA H 1 4.030 0.05 . 1 . . . . 46 R HA . 16484 1 507 . 1 1 46 46 ARG HB2 H 1 1.870 0.05 . 2 . . . . 46 R HB1 . 16484 1 508 . 1 1 46 46 ARG HB3 H 1 1.870 0.05 . 2 . . . . 46 R HB2 . 16484 1 509 . 1 1 46 46 ARG HD2 H 1 3.088 0.05 . 2 . . . . 46 R HD1 . 16484 1 510 . 1 1 46 46 ARG HD3 H 1 2.920 0.05 . 2 . . . . 46 R HD2 . 16484 1 511 . 1 1 46 46 ARG HG2 H 1 1.500 0.05 . 2 . . . . 46 R HG1 . 16484 1 512 . 1 1 46 46 ARG HG3 H 1 1.660 0.05 . 2 . . . . 46 R HG2 . 16484 1 513 . 1 1 46 46 ARG CA C 13 57.250 0.5 . 1 . . . . 46 R CA . 16484 1 514 . 1 1 46 46 ARG CB C 13 28.493 0.5 . 1 . . . . 46 R CB . 16484 1 515 . 1 1 46 46 ARG CD C 13 41.630 0.5 . 1 . . . . 46 R CD . 16484 1 516 . 1 1 46 46 ARG CG C 13 26.630 0.5 . 1 . . . . 46 R CG . 16484 1 517 . 1 1 46 46 ARG N N 15 119.810 0.5 . 1 . . . . 46 R N . 16484 1 518 . 1 1 47 47 LEU H H 1 8.390 0.05 . 1 . . . . 47 L HN . 16484 1 519 . 1 1 47 47 LEU HA H 1 3.950 0.05 . 1 . . . . 47 L HA . 16484 1 520 . 1 1 47 47 LEU HB2 H 1 1.207 0.05 . 2 . . . . 47 L HB1 . 16484 1 521 . 1 1 47 47 LEU HB3 H 1 1.537 0.05 . 2 . . . . 47 L HB2 . 16484 1 522 . 1 1 47 47 LEU HD11 H 1 0.764 0.05 . 2 . . . . 47 L HD11 . 16484 1 523 . 1 1 47 47 LEU HD12 H 1 0.764 0.05 . 2 . . . . 47 L HD11 . 16484 1 524 . 1 1 47 47 LEU HD13 H 1 0.764 0.05 . 2 . . . . 47 L HD11 . 16484 1 525 . 1 1 47 47 LEU HD21 H 1 0.277 0.05 . 2 . . . . 47 L HD21 . 16484 1 526 . 1 1 47 47 LEU HD22 H 1 0.277 0.05 . 2 . . . . 47 L HD21 . 16484 1 527 . 1 1 47 47 LEU HD23 H 1 0.277 0.05 . 2 . . . . 47 L HD21 . 16484 1 528 . 1 1 47 47 LEU HG H 1 1.364 0.05 . 1 . . . . 47 L HG . 16484 1 529 . 1 1 47 47 LEU CA C 13 56.000 0.5 . 1 . . . . 47 L CA . 16484 1 530 . 1 1 47 47 LEU CB C 13 41.009 0.5 . 1 . . . . 47 L CB . 16484 1 531 . 1 1 47 47 LEU CD1 C 13 21.000 0.5 . 1 . . . . 47 L CD1 . 16484 1 532 . 1 1 47 47 LEU CD2 C 13 24.100 0.5 . 1 . . . . 47 L CD2 . 16484 1 533 . 1 1 47 47 LEU CG C 13 24.900 0.5 . 1 . . . . 47 L CG . 16484 1 534 . 1 1 47 47 LEU N N 15 124.040 0.5 . 1 . . . . 47 L N . 16484 1 535 . 1 1 48 48 LEU H H 1 8.425 0.05 . 1 . . . . 48 L HN . 16484 1 536 . 1 1 48 48 LEU HA H 1 4.260 0.05 . 1 . . . . 48 L HA . 16484 1 537 . 1 1 48 48 LEU HB2 H 1 1.526 0.05 . 2 . . . . 48 L HB1 . 16484 1 538 . 1 1 48 48 LEU HB3 H 1 1.827 0.05 . 2 . . . . 48 L HB2 . 16484 1 539 . 1 1 48 48 LEU HD11 H 1 0.891 0.05 . 2 . . . . 48 L HD11 . 16484 1 540 . 1 1 48 48 LEU HD12 H 1 0.891 0.05 . 2 . . . . 48 L HD11 . 16484 1 541 . 1 1 48 48 LEU HD13 H 1 0.891 0.05 . 2 . . . . 48 L HD11 . 16484 1 542 . 1 1 48 48 LEU HD21 H 1 1.000 0.05 . 2 . . . . 48 L HD21 . 16484 1 543 . 1 1 48 48 LEU HD22 H 1 1.000 0.05 . 2 . . . . 48 L HD21 . 16484 1 544 . 1 1 48 48 LEU HD23 H 1 1.000 0.05 . 2 . . . . 48 L HD21 . 16484 1 545 . 1 1 48 48 LEU HG H 1 1.914 0.05 . 1 . . . . 48 L HG . 16484 1 546 . 1 1 48 48 LEU CA C 13 55.000 0.5 . 1 . . . . 48 L CA . 16484 1 547 . 1 1 48 48 LEU CB C 13 41.000 0.5 . 1 . . . . 48 L CB . 16484 1 548 . 1 1 48 48 LEU CD1 C 13 24.700 0.5 . 1 . . . . 48 L CD1 . 16484 1 549 . 1 1 48 48 LEU CD2 C 13 21.000 0.5 . 1 . . . . 48 L CD2 . 16484 1 550 . 1 1 48 48 LEU CG C 13 24.700 0.5 . 1 . . . . 48 L CG . 16484 1 551 . 1 1 48 48 LEU N N 15 120.710 0.5 . 1 . . . . 48 L N . 16484 1 552 . 1 1 49 49 GLY H H 1 7.803 0.05 . 1 . . . . 49 G HN . 16484 1 553 . 1 1 49 49 GLY HA2 H 1 3.928 0.05 . 2 . . . . 49 G HA1 . 16484 1 554 . 1 1 49 49 GLY HA3 H 1 4.028 0.05 . 2 . . . . 49 G HA2 . 16484 1 555 . 1 1 49 49 GLY CA C 13 44.128 0.5 . 1 . . . . 49 G CA . 16484 1 556 . 1 1 49 49 GLY N N 15 108.520 0.5 . 1 . . . . 49 G N . 16484 1 557 . 1 1 50 50 SER H H 1 8.022 0.05 . 1 . . . . 50 S HN . 16484 1 558 . 1 1 50 50 SER HA H 1 4.400 0.05 . 1 . . . . 50 S HA . 16484 1 559 . 1 1 50 50 SER HB2 H 1 3.840 0.05 . 2 . . . . 50 S HB1 . 16484 1 560 . 1 1 50 50 SER HB3 H 1 3.900 0.05 . 2 . . . . 50 S HB2 . 16484 1 561 . 1 1 50 50 SER CA C 13 57.261 0.5 . 1 . . . . 50 S CA . 16484 1 562 . 1 1 50 50 SER CB C 13 62.260 0.5 . 1 . . . . 50 S CB . 16484 1 563 . 1 1 50 50 SER N N 15 116.500 0.5 . 1 . . . . 50 S N . 16484 1 564 . 1 1 51 51 GLN H H 1 8.330 0.05 . 1 . . . . 51 Q HN . 16484 1 565 . 1 1 51 51 GLN HA H 1 4.350 0.05 . 1 . . . . 51 Q HA . 16484 1 566 . 1 1 51 51 GLN HB2 H 1 2.010 0.05 . 2 . . . . 51 Q HB1 . 16484 1 567 . 1 1 51 51 GLN HB3 H 1 2.156 0.05 . 2 . . . . 51 Q HB2 . 16484 1 568 . 1 1 51 51 GLN HE21 H 1 7.600 0.05 . 2 . . . . 51 Q HE21 . 16484 1 569 . 1 1 51 51 GLN HE22 H 1 6.900 0.05 . 2 . . . . 51 Q HE22 . 16484 1 570 . 1 1 51 51 GLN HG2 H 1 2.350 0.05 . 2 . . . . 51 Q HG1 . 16484 1 571 . 1 1 51 51 GLN HG3 H 1 2.390 0.05 . 2 . . . . 51 Q HG2 . 16484 1 572 . 1 1 51 51 GLN CA C 13 54.100 0.5 . 1 . . . . 51 Q CA . 16484 1 573 . 1 1 51 51 GLN CB C 13 27.800 0.5 . 1 . . . . 51 Q CB . 16484 1 574 . 1 1 51 51 GLN CG C 13 32.300 0.5 . 1 . . . . 51 Q CG . 16484 1 575 . 1 1 51 51 GLN N N 15 123.030 0.5 . 1 . . . . 51 Q N . 16484 1 576 . 1 1 51 51 GLN NE2 N 15 114.300 0.5 . 1 . . . . 51 Q NE2 . 16484 1 577 . 1 1 52 52 LEU H H 1 8.322 0.05 . 1 . . . . 52 L HN . 16484 1 578 . 1 1 52 52 LEU HA H 1 4.367 0.05 . 1 . . . . 52 L HA . 16484 1 579 . 1 1 52 52 LEU HB2 H 1 1.600 0.05 . 2 . . . . 52 L HB1 . 16484 1 580 . 1 1 52 52 LEU HB3 H 1 1.620 0.05 . 2 . . . . 52 L HB2 . 16484 1 581 . 1 1 52 52 LEU HD11 H 1 0.903 0.05 . 2 . . . . 52 L HD11 . 16484 1 582 . 1 1 52 52 LEU HD12 H 1 0.903 0.05 . 2 . . . . 52 L HD11 . 16484 1 583 . 1 1 52 52 LEU HD13 H 1 0.903 0.05 . 2 . . . . 52 L HD11 . 16484 1 584 . 1 1 52 52 LEU HD21 H 1 0.839 0.05 . 2 . . . . 52 L HD21 . 16484 1 585 . 1 1 52 52 LEU HD22 H 1 0.839 0.05 . 2 . . . . 52 L HD21 . 16484 1 586 . 1 1 52 52 LEU HD23 H 1 0.839 0.05 . 2 . . . . 52 L HD21 . 16484 1 587 . 1 1 52 52 LEU HG H 1 1.616 0.05 . 1 . . . . 52 L HG . 16484 1 588 . 1 1 52 52 LEU CA C 13 53.520 0.5 . 1 . . . . 52 L CA . 16484 1 589 . 1 1 52 52 LEU CB C 13 41.000 0.5 . 1 . . . . 52 L CB . 16484 1 590 . 1 1 52 52 LEU CD1 C 13 23.561 0.5 . 1 . . . . 52 L CD1 . 16484 1 591 . 1 1 52 52 LEU CD2 C 13 21.565 0.5 . 1 . . . . 52 L CD2 . 16484 1 592 . 1 1 52 52 LEU CG C 13 25.326 0.5 . 1 . . . . 52 L CG . 16484 1 593 . 1 1 52 52 LEU N N 15 125.080 0.5 . 1 . . . . 52 L N . 16484 1 594 . 1 1 53 53 SER H H 1 7.985 0.05 . 1 . . . . 53 S HN . 16484 1 595 . 1 1 53 53 SER HA H 1 4.230 0.05 . 1 . . . . 53 S HA . 16484 1 596 . 1 1 53 53 SER HB2 H 1 3.800 0.05 . 2 . . . . 53 S HB2 . 16484 1 597 . 1 1 53 53 SER CA C 13 58.476 0.5 . 1 . . . . 53 S CA . 16484 1 598 . 1 1 53 53 SER CB C 13 63.488 0.5 . 1 . . . . 53 S CB . 16484 1 599 . 1 1 53 53 SER N N 15 123.630 0.5 . 1 . . . . 53 S N . 16484 1 stop_ save_