data_5539 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5539 _Entry.Title ; Solution Structure and Stability of the Full-Length Excisionase (Xis) from Bacteriophage HK022 ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2002-09-25 _Entry.Accession_date 2002-09-25 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Vladimir Rogov . . . 5539 2 C. Luecke . . . 5539 3 Lucia Muresanu . . . 5539 4 Hans Wienk . . . 5539 5 Ioana Kleinhaus . . . 5539 6 Karla Werner . . . 5539 7 Frank Loehr . . . 5539 8 Primoz Pristovsek . . . 5539 9 Heinz Rueterjans . . . 5539 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5539 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 541 5539 '13C chemical shifts' 309 5539 '15N chemical shifts' 72 5539 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-07-08 . update author 'update the chemical shift table' 5539 2 . . 2004-02-14 . original author 'original release' 5539 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5539 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 14653811 _Citation.Full_citation . _Citation.Title ; Solution Structure and Stability of the Full-Length Excisionase from Bacteriophage HK022 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Eur. J. Biochem.' _Citation.Journal_name_full . _Citation.Journal_volume 270 _Citation.Journal_issue 24 _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 4846 _Citation.Page_last 4858 _Citation.Year 2003 _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 Vladimir Rogov . V . 5539 1 2 C. Luecke . . . 5539 1 3 Lucia Muresanu . . . 5539 1 4 Hans Wienk . . . 5539 1 5 Ioana Kleinhaus . . . 5539 1 6 Karla Werner . . . 5539 1 7 Frank Loehr . . . 5539 1 8 Primoz Pristovsek . . . 5539 1 9 Heinz Rueterjans . . . 5539 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Xis _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Xis _Assembly.Entry_ID 5539 _Assembly.ID 1 _Assembly.Name 'Xis C28S' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5539 1 stop_ loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'xis monomer' 1 $xis_monomer . . . native . . . . . 5539 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 isoaspartyl-glycine single . 1 . . ASN 66 66 ND2 . 1 . 1 GLY 67 67 C . . . . . . . . . . 5539 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Xis C28S' system 5539 1 Xis abbreviation 5539 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID excisionase 5539 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_xis_monomer _Entity.Sf_category entity _Entity.Sf_framecode xis_monomer _Entity.Entry_ID 5539 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name excisionase _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MYLTLQEWNARQRRPRSLET VRRWVRESRIFPPPVKDGRE YLFHESAVKVDLNRPVTGSL LKRIRNGKKAKS ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _Entity.Ambiguous_conformational_states . _Entity.Ambiguous_chem_comp_sites . _Entity.Nstd_monomer . _Entity.Nstd_chirality . _Entity.Nstd_linkage . _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 72 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 8640 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'Unusual isoaspartyl-glycine linkage at position Asn66-Gly67.' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1LX8 . "Regulation Of Directionality In Bacteriophage Lambda Site- Specific Recombination: Structure Of The Xis Protein" . . . . . 76.39 55 100.00 100.00 2.69e-31 . . . . 5539 1 2 no PDB 1PM6 . "Solution Structure Of Full-Length Excisionase (Xis) From Bacteriophage Hk022" . . . . . 100.00 72 100.00 100.00 1.21e-43 . . . . 5539 1 3 no PDB 1RH6 . "Bacteriophage Lambda Excisionase (Xis)-Dna Complex" . . . . . 76.39 55 100.00 100.00 2.69e-31 . . . . 5539 1 4 no PDB 2IEF . "Structure Of The Cooperative Excisionase (Xis)-Dna Complex Reveals A Micronucleoprotein Filament" . . . . . 76.39 55 100.00 100.00 2.69e-31 . . . . 5539 1 5 no PDB 2OG0 . "Crystal Structure Of The Lambda Xis-Dna Complex" . . . . . 72.22 52 100.00 100.00 6.84e-29 . . . . 5539 1 6 no DBJ BAB34224 . "excisionase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 7 no DBJ BAI24153 . "putative excisionase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 8 no DBJ BAI26429 . "excisionase [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 72 97.22 97.22 3.28e-42 . . . . 5539 1 9 no DBJ BAI36808 . "predicted excisionase [Escherichia coli O111:H- str. 11128]" . . . . . 100.00 72 97.22 97.22 3.28e-42 . . . . 5539 1 10 no EMBL CAA36222 . "unnamed protein product [Enterobacteria phage HK022]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 11 no EMBL CAB38714 . "excisionase-like protein [Enterobacteria phage H19J]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 12 no EMBL CAP75450 . "excisionase [Escherichia coli LF82]" . . . . . 100.00 72 97.22 97.22 3.07e-42 . . . . 5539 1 13 no EMBL CAS08199 . "predicted excisionase [Escherichia coli O127:H6 str. E2348/69]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 14 no EMBL CAS08528 . "predicted excisionase [Escherichia coli O127:H6 str. E2348/69]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 15 no GB AAA67901 . "excisionase [Phage 434]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 16 no GB AAA96563 . "xis (excision;72) [Enterobacteria phage lambda]" . . . . . 100.00 72 97.22 97.22 2.03e-42 . . . . 5539 1 17 no GB AAF30378 . "excisionase [Enterobacteria phage HK022]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 18 no GB AAF31117 . "excisionase [Enterobacteria phage HK97]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 19 no GB AAL09848 . "excisionase [CRIM helper plasmid pAH57]" . . . . . 100.00 72 97.22 97.22 2.03e-42 . . . . 5539 1 20 no REF NP_037687 . "excisionase [Enterobacteria phage HK022]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 21 no REF NP_037721 . "excisionase [Enterobacteria phage HK97]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 22 no REF NP_040610 . "Excisionase [Enterobacteria phage lambda]" . . . . . 100.00 72 97.22 97.22 2.03e-42 . . . . 5539 1 23 no REF NP_308828 . "excisionase [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 24 no REF WP_001303849 . "MULTISPECIES: excisionase [Enterobacteriaceae]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 25 no SP P03699 . "RecName: Full=Excisionase [Enterobacteria phage lambda]" . . . . . 100.00 72 97.22 97.22 2.03e-42 . . . . 5539 1 26 no SP P68926 . "RecName: Full=Excisionase [Phage 434]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 27 no SP P68927 . "RecName: Full=Excisionase [Enterobacteria phage HK022]" . . . . . 100.00 72 98.61 98.61 4.24e-43 . . . . 5539 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID excisionase common 5539 1 xis abbreviation 5539 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 . MET . 5539 1 2 . TYR . 5539 1 3 . LEU . 5539 1 4 . THR . 5539 1 5 . LEU . 5539 1 6 . GLN . 5539 1 7 . GLU . 5539 1 8 . TRP . 5539 1 9 . ASN . 5539 1 10 . ALA . 5539 1 11 . ARG . 5539 1 12 . GLN . 5539 1 13 . ARG . 5539 1 14 . ARG . 5539 1 15 . PRO . 5539 1 16 . ARG . 5539 1 17 . SER . 5539 1 18 . LEU . 5539 1 19 . GLU . 5539 1 20 . THR . 5539 1 21 . VAL . 5539 1 22 . ARG . 5539 1 23 . ARG . 5539 1 24 . TRP . 5539 1 25 . VAL . 5539 1 26 . ARG . 5539 1 27 . GLU . 5539 1 28 . SER . 5539 1 29 . ARG . 5539 1 30 . ILE . 5539 1 31 . PHE . 5539 1 32 . PRO . 5539 1 33 . PRO . 5539 1 34 . PRO . 5539 1 35 . VAL . 5539 1 36 . LYS . 5539 1 37 . ASP . 5539 1 38 . GLY . 5539 1 39 . ARG . 5539 1 40 . GLU . 5539 1 41 . TYR . 5539 1 42 . LEU . 5539 1 43 . PHE . 5539 1 44 . HIS . 5539 1 45 . GLU . 5539 1 46 . SER . 5539 1 47 . ALA . 5539 1 48 . VAL . 5539 1 49 . LYS . 5539 1 50 . VAL . 5539 1 51 . ASP . 5539 1 52 . LEU . 5539 1 53 . ASN . 5539 1 54 . ARG . 5539 1 55 . PRO . 5539 1 56 . VAL . 5539 1 57 . THR . 5539 1 58 . GLY . 5539 1 59 . SER . 5539 1 60 . LEU . 5539 1 61 . LEU . 5539 1 62 . LYS . 5539 1 63 . ARG . 5539 1 64 . ILE . 5539 1 65 . ARG . 5539 1 66 . ASN . 5539 1 67 . GLY . 5539 1 68 . LYS . 5539 1 69 . LYS . 5539 1 70 . ALA . 5539 1 71 . LYS . 5539 1 72 . SER . 5539 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 . MET 1 1 5539 1 . TYR 2 2 5539 1 . LEU 3 3 5539 1 . THR 4 4 5539 1 . LEU 5 5 5539 1 . GLN 6 6 5539 1 . GLU 7 7 5539 1 . TRP 8 8 5539 1 . ASN 9 9 5539 1 . ALA 10 10 5539 1 . ARG 11 11 5539 1 . GLN 12 12 5539 1 . ARG 13 13 5539 1 . ARG 14 14 5539 1 . PRO 15 15 5539 1 . ARG 16 16 5539 1 . SER 17 17 5539 1 . LEU 18 18 5539 1 . GLU 19 19 5539 1 . THR 20 20 5539 1 . VAL 21 21 5539 1 . ARG 22 22 5539 1 . ARG 23 23 5539 1 . TRP 24 24 5539 1 . VAL 25 25 5539 1 . ARG 26 26 5539 1 . GLU 27 27 5539 1 . SER 28 28 5539 1 . ARG 29 29 5539 1 . ILE 30 30 5539 1 . PHE 31 31 5539 1 . PRO 32 32 5539 1 . PRO 33 33 5539 1 . PRO 34 34 5539 1 . VAL 35 35 5539 1 . LYS 36 36 5539 1 . ASP 37 37 5539 1 . GLY 38 38 5539 1 . ARG 39 39 5539 1 . GLU 40 40 5539 1 . TYR 41 41 5539 1 . LEU 42 42 5539 1 . PHE 43 43 5539 1 . HIS 44 44 5539 1 . GLU 45 45 5539 1 . SER 46 46 5539 1 . ALA 47 47 5539 1 . VAL 48 48 5539 1 . LYS 49 49 5539 1 . VAL 50 50 5539 1 . ASP 51 51 5539 1 . LEU 52 52 5539 1 . ASN 53 53 5539 1 . ARG 54 54 5539 1 . PRO 55 55 5539 1 . VAL 56 56 5539 1 . THR 57 57 5539 1 . GLY 58 58 5539 1 . SER 59 59 5539 1 . LEU 60 60 5539 1 . LEU 61 61 5539 1 . LYS 62 62 5539 1 . ARG 63 63 5539 1 . ILE 64 64 5539 1 . ARG 65 65 5539 1 . ASN 66 66 5539 1 . GLY 67 67 5539 1 . LYS 68 68 5539 1 . LYS 69 69 5539 1 . ALA 70 70 5539 1 . LYS 71 71 5539 1 . SER 72 72 5539 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 5539 _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 $xis_monomer . 10742 . . 'Lambda-like viruses Enterobacteria phage HK022' 'Enterobacteria phage HK022' . . Viruses . 'Lambda-like viruses' 'Enterobacteria phage HK022' . . . . . . . . . . . . . . . . . . . . . 5539 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 5539 _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 $xis_monomer . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3)* . . . . . . . . . . . . . . . pET14 . . . . . . 5539 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 5539 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 excisionase '[U-99% 13C; U-99% 15N]' . . 1 $xis_monomer . . . 0.8 1.2 mM . . . . 5539 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 5539 _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 6.5 0.3 pH 5539 1 temperature 303 0.1 K 5539 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 5539 _Software.ID 1 _Software.Name FELIX _Software.Version 97.0 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 5539 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 5539 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5539 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer_1 Bruker DRX . 600 . . . 5539 1 2 NMR_spectrometer_2 Bruker DMX . 500 . . . 5539 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 5539 _Experiment_list.ID 1 _Experiment_list.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 5539 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 5539 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5539 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5539 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_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode set_1 _Assigned_chem_shift_list.Entry_ID 5539 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 5539 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 MET HA H 1 4.37 0.01 . 1 . . . . . . . . 5539 1 2 . 1 1 1 1 MET HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5539 1 3 . 1 1 1 1 MET HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5539 1 4 . 1 1 1 1 MET HG2 H 1 2.32 0.01 . 1 . . . . . . . . 5539 1 5 . 1 1 1 1 MET HG3 H 1 2.32 0.01 . 1 . . . . . . . . 5539 1 6 . 1 1 1 1 MET C C 13 174.6 0.1 . 1 . . . . . . . . 5539 1 7 . 1 1 1 1 MET CA C 13 55.9 0.1 . 1 . . . . . . . . 5539 1 8 . 1 1 1 1 MET CB C 13 33.3 0.1 . 1 . . . . . . . . 5539 1 9 . 1 1 1 1 MET CG C 13 31.7 0.1 . 1 . . . . . . . . 5539 1 10 . 1 1 2 2 TYR H H 1 8.17 0.01 . 1 . . . . . . . . 5539 1 11 . 1 1 2 2 TYR HA H 1 4.99 0.01 . 1 . . . . . . . . 5539 1 12 . 1 1 2 2 TYR HB2 H 1 2.83 0.01 . 2 . . . . . . . . 5539 1 13 . 1 1 2 2 TYR HB3 H 1 2.78 0.01 . 2 . . . . . . . . 5539 1 14 . 1 1 2 2 TYR HD1 H 1 6.88 0.01 . 1 . . . . . . . . 5539 1 15 . 1 1 2 2 TYR HD2 H 1 6.88 0.01 . 1 . . . . . . . . 5539 1 16 . 1 1 2 2 TYR HE1 H 1 6.69 0.01 . 1 . . . . . . . . 5539 1 17 . 1 1 2 2 TYR HE2 H 1 6.69 0.01 . 1 . . . . . . . . 5539 1 18 . 1 1 2 2 TYR C C 13 175.3 0.1 . 1 . . . . . . . . 5539 1 19 . 1 1 2 2 TYR CA C 13 57.2 0.1 . 1 . . . . . . . . 5539 1 20 . 1 1 2 2 TYR CB C 13 41.3 0.1 . 1 . . . . . . . . 5539 1 21 . 1 1 2 2 TYR N N 15 119.1 0.1 . 1 . . . . . . . . 5539 1 22 . 1 1 3 3 LEU H H 1 9.66 0.01 . 1 . . . . . . . . 5539 1 23 . 1 1 3 3 LEU HA H 1 4.97 0.01 . 1 . . . . . . . . 5539 1 24 . 1 1 3 3 LEU HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5539 1 25 . 1 1 3 3 LEU HB3 H 1 1.90 0.01 . 1 . . . . . . . . 5539 1 26 . 1 1 3 3 LEU HG H 1 1.68 0.01 . 1 . . . . . . . . 5539 1 27 . 1 1 3 3 LEU HD11 H 1 0.87 0.01 . 1 . . . . . . . . 5539 1 28 . 1 1 3 3 LEU HD12 H 1 0.87 0.01 . 1 . . . . . . . . 5539 1 29 . 1 1 3 3 LEU HD13 H 1 0.87 0.01 . 1 . . . . . . . . 5539 1 30 . 1 1 3 3 LEU HD21 H 1 0.97 0.01 . 1 . . . . . . . . 5539 1 31 . 1 1 3 3 LEU HD22 H 1 0.97 0.01 . 1 . . . . . . . . 5539 1 32 . 1 1 3 3 LEU HD23 H 1 0.97 0.01 . 1 . . . . . . . . 5539 1 33 . 1 1 3 3 LEU C C 13 177.4 0.1 . 1 . . . . . . . . 5539 1 34 . 1 1 3 3 LEU CA C 13 53.3 0.1 . 1 . . . . . . . . 5539 1 35 . 1 1 3 3 LEU CB C 13 45.7 0.1 . 1 . . . . . . . . 5539 1 36 . 1 1 3 3 LEU CG C 13 26.9 0.1 . 1 . . . . . . . . 5539 1 37 . 1 1 3 3 LEU CD1 C 13 23.0 0.1 . 1 . . . . . . . . 5539 1 38 . 1 1 3 3 LEU CD2 C 13 26.5 0.1 . 1 . . . . . . . . 5539 1 39 . 1 1 3 3 LEU N N 15 122.3 0.1 . 1 . . . . . . . . 5539 1 40 . 1 1 4 4 THR H H 1 8.85 0.01 . 1 . . . . . . . . 5539 1 41 . 1 1 4 4 THR HA H 1 4.82 0.01 . 1 . . . . . . . . 5539 1 42 . 1 1 4 4 THR HB H 1 4.91 0.01 . 1 . . . . . . . . 5539 1 43 . 1 1 4 4 THR HG21 H 1 1.43 0.01 . 1 . . . . . . . . 5539 1 44 . 1 1 4 4 THR HG22 H 1 1.43 0.01 . 1 . . . . . . . . 5539 1 45 . 1 1 4 4 THR HG23 H 1 1.43 0.01 . 1 . . . . . . . . 5539 1 46 . 1 1 4 4 THR C C 13 174.9 0.1 . 1 . . . . . . . . 5539 1 47 . 1 1 4 4 THR CA C 13 61.9 0.1 . 1 . . . . . . . . 5539 1 48 . 1 1 4 4 THR CB C 13 71.2 0.1 . 1 . . . . . . . . 5539 1 49 . 1 1 4 4 THR CG2 C 13 22.2 0.1 . 1 . . . . . . . . 5539 1 50 . 1 1 4 4 THR N N 15 111.7 0.1 . 1 . . . . . . . . 5539 1 51 . 1 1 5 5 LEU H H 1 8.67 0.01 . 1 . . . . . . . . 5539 1 52 . 1 1 5 5 LEU HA H 1 3.54 0.01 . 1 . . . . . . . . 5539 1 53 . 1 1 5 5 LEU HB2 H 1 2.03 0.01 . 1 . . . . . . . . 5539 1 54 . 1 1 5 5 LEU HB3 H 1 1.94 0.01 . 1 . . . . . . . . 5539 1 55 . 1 1 5 5 LEU HG H 1 1.61 0.01 . 1 . . . . . . . . 5539 1 56 . 1 1 5 5 LEU HD11 H 1 1.03 0.01 . 1 . . . . . . . . 5539 1 57 . 1 1 5 5 LEU HD12 H 1 1.03 0.01 . 1 . . . . . . . . 5539 1 58 . 1 1 5 5 LEU HD13 H 1 1.03 0.01 . 1 . . . . . . . . 5539 1 59 . 1 1 5 5 LEU HD21 H 1 0.91 0.01 . 1 . . . . . . . . 5539 1 60 . 1 1 5 5 LEU HD22 H 1 0.91 0.01 . 1 . . . . . . . . 5539 1 61 . 1 1 5 5 LEU HD23 H 1 0.91 0.01 . 1 . . . . . . . . 5539 1 62 . 1 1 5 5 LEU C C 13 179.0 0.1 . 1 . . . . . . . . 5539 1 63 . 1 1 5 5 LEU CA C 13 60.4 0.1 . 1 . . . . . . . . 5539 1 64 . 1 1 5 5 LEU CB C 13 42.9 0.1 . 1 . . . . . . . . 5539 1 65 . 1 1 5 5 LEU CG C 13 27.3 0.1 . 1 . . . . . . . . 5539 1 66 . 1 1 5 5 LEU CD1 C 13 27.2 0.1 . 1 . . . . . . . . 5539 1 67 . 1 1 5 5 LEU CD2 C 13 25.6 0.1 . 1 . . . . . . . . 5539 1 68 . 1 1 5 5 LEU N N 15 122.5 0.1 . 1 . . . . . . . . 5539 1 69 . 1 1 6 6 GLN H H 1 9.02 0.01 . 1 . . . . . . . . 5539 1 70 . 1 1 6 6 GLN HA H 1 3.99 0.01 . 1 . . . . . . . . 5539 1 71 . 1 1 6 6 GLN HB2 H 1 2.15 0.01 . 2 . . . . . . . . 5539 1 72 . 1 1 6 6 GLN HB3 H 1 2.10 0.01 . 2 . . . . . . . . 5539 1 73 . 1 1 6 6 GLN HG2 H 1 2.62 0.01 . 2 . . . . . . . . 5539 1 74 . 1 1 6 6 GLN HG3 H 1 2.49 0.01 . 2 . . . . . . . . 5539 1 75 . 1 1 6 6 GLN HE21 H 1 7.53 0.01 . 2 . . . . . . . . 5539 1 76 . 1 1 6 6 GLN HE22 H 1 6.99 0.01 . 2 . . . . . . . . 5539 1 77 . 1 1 6 6 GLN C C 13 179.2 0.1 . 1 . . . . . . . . 5539 1 78 . 1 1 6 6 GLN CA C 13 60.0 0.1 . 1 . . . . . . . . 5539 1 79 . 1 1 6 6 GLN CB C 13 28.3 0.1 . 1 . . . . . . . . 5539 1 80 . 1 1 6 6 GLN CG C 13 34.4 0.1 . 1 . . . . . . . . 5539 1 81 . 1 1 6 6 GLN N N 15 117.0 0.1 . 1 . . . . . . . . 5539 1 82 . 1 1 6 6 GLN NE2 N 15 111.7 0.1 . 1 . . . . . . . . 5539 1 83 . 1 1 7 7 GLU H H 1 7.86 0.01 . 1 . . . . . . . . 5539 1 84 . 1 1 7 7 GLU HA H 1 4.03 0.01 . 1 . . . . . . . . 5539 1 85 . 1 1 7 7 GLU HB2 H 1 2.40 0.01 . 2 . . . . . . . . 5539 1 86 . 1 1 7 7 GLU HB3 H 1 1.99 0.01 . 2 . . . . . . . . 5539 1 87 . 1 1 7 7 GLU HG2 H 1 2.40 0.01 . 1 . . . . . . . . 5539 1 88 . 1 1 7 7 GLU HG3 H 1 2.31 0.01 . 1 . . . . . . . . 5539 1 89 . 1 1 7 7 GLU C C 13 178.9 0.1 . 1 . . . . . . . . 5539 1 90 . 1 1 7 7 GLU CA C 13 58.9 0.1 . 1 . . . . . . . . 5539 1 91 . 1 1 7 7 GLU CB C 13 31.1 0.1 . 1 . . . . . . . . 5539 1 92 . 1 1 7 7 GLU CG C 13 37.2 0.1 . 1 . . . . . . . . 5539 1 93 . 1 1 7 7 GLU N N 15 121.4 0.1 . 1 . . . . . . . . 5539 1 94 . 1 1 8 8 TRP H H 1 9.05 0.01 . 1 . . . . . . . . 5539 1 95 . 1 1 8 8 TRP HA H 1 3.76 0.01 . 1 . . . . . . . . 5539 1 96 . 1 1 8 8 TRP HB2 H 1 2.80 0.01 . 1 . . . . . . . . 5539 1 97 . 1 1 8 8 TRP HB3 H 1 2.74 0.01 . 1 . . . . . . . . 5539 1 98 . 1 1 8 8 TRP HD1 H 1 7.09 0.01 . 1 . . . . . . . . 5539 1 99 . 1 1 8 8 TRP HE1 H 1 9.97 0.01 . 1 . . . . . . . . 5539 1 100 . 1 1 8 8 TRP HE3 H 1 6.94 0.01 . 1 . . . . . . . . 5539 1 101 . 1 1 8 8 TRP HZ2 H 1 7.19 0.01 . 1 . . . . . . . . 5539 1 102 . 1 1 8 8 TRP HZ3 H 1 7.14 0.01 . 1 . . . . . . . . 5539 1 103 . 1 1 8 8 TRP HH2 H 1 7.14 0.01 . 1 . . . . . . . . 5539 1 104 . 1 1 8 8 TRP C C 13 179.4 0.1 . 1 . . . . . . . . 5539 1 105 . 1 1 8 8 TRP CA C 13 63.0 0.1 . 1 . . . . . . . . 5539 1 106 . 1 1 8 8 TRP CB C 13 28.1 0.1 . 1 . . . . . . . . 5539 1 107 . 1 1 8 8 TRP N N 15 120.4 0.1 . 1 . . . . . . . . 5539 1 108 . 1 1 8 8 TRP NE1 N 15 130.2 0.1 . 1 . . . . . . . . 5539 1 109 . 1 1 9 9 ASN H H 1 8.66 0.01 . 1 . . . . . . . . 5539 1 110 . 1 1 9 9 ASN HA H 1 3.98 0.01 . 1 . . . . . . . . 5539 1 111 . 1 1 9 9 ASN HB2 H 1 2.93 0.01 . 2 . . . . . . . . 5539 1 112 . 1 1 9 9 ASN HB3 H 1 2.72 0.01 . 2 . . . . . . . . 5539 1 113 . 1 1 9 9 ASN HD21 H 1 7.68 0.01 . 1 . . . . . . . . 5539 1 114 . 1 1 9 9 ASN HD22 H 1 8.10 0.01 . 1 . . . . . . . . 5539 1 115 . 1 1 9 9 ASN C C 13 176.5 0.1 . 1 . . . . . . . . 5539 1 116 . 1 1 9 9 ASN CA C 13 56.3 0.1 . 1 . . . . . . . . 5539 1 117 . 1 1 9 9 ASN CB C 13 39.9 0.1 . 1 . . . . . . . . 5539 1 118 . 1 1 9 9 ASN N N 15 117.7 0.1 . 1 . . . . . . . . 5539 1 119 . 1 1 9 9 ASN ND2 N 15 114.9 0.1 . 1 . . . . . . . . 5539 1 120 . 1 1 10 10 ALA H H 1 7.60 0.01 . 1 . . . . . . . . 5539 1 121 . 1 1 10 10 ALA HA H 1 4.01 0.01 . 1 . . . . . . . . 5539 1 122 . 1 1 10 10 ALA HB1 H 1 1.50 0.01 . 1 . . . . . . . . 5539 1 123 . 1 1 10 10 ALA HB2 H 1 1.50 0.01 . 1 . . . . . . . . 5539 1 124 . 1 1 10 10 ALA HB3 H 1 1.50 0.01 . 1 . . . . . . . . 5539 1 125 . 1 1 10 10 ALA C C 13 178.5 0.1 . 1 . . . . . . . . 5539 1 126 . 1 1 10 10 ALA CA C 13 54.1 0.1 . 1 . . . . . . . . 5539 1 127 . 1 1 10 10 ALA CB C 13 18.6 0.1 . 1 . . . . . . . . 5539 1 128 . 1 1 10 10 ALA N N 15 116.6 0.1 . 1 . . . . . . . . 5539 1 129 . 1 1 11 11 ARG H H 1 7.09 0.01 . 1 . . . . . . . . 5539 1 130 . 1 1 11 11 ARG HA H 1 4.25 0.01 . 1 . . . . . . . . 5539 1 131 . 1 1 11 11 ARG HB2 H 1 1.64 0.01 . 1 . . . . . . . . 5539 1 132 . 1 1 11 11 ARG HB3 H 1 1.88 0.01 . 1 . . . . . . . . 5539 1 133 . 1 1 11 11 ARG HG2 H 1 1.75 0.01 . 2 . . . . . . . . 5539 1 134 . 1 1 11 11 ARG HG3 H 1 1.66 0.01 . 2 . . . . . . . . 5539 1 135 . 1 1 11 11 ARG HD2 H 1 3.11 0.01 . 1 . . . . . . . . 5539 1 136 . 1 1 11 11 ARG HD3 H 1 3.08 0.01 . 1 . . . . . . . . 5539 1 137 . 1 1 11 11 ARG C C 13 176.8 0.1 . 1 . . . . . . . . 5539 1 138 . 1 1 11 11 ARG CA C 13 55.9 0.1 . 1 . . . . . . . . 5539 1 139 . 1 1 11 11 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5539 1 140 . 1 1 11 11 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 5539 1 141 . 1 1 11 11 ARG CD C 13 44.2 0.1 . 1 . . . . . . . . 5539 1 142 . 1 1 11 11 ARG N N 15 114.4 0.1 . 1 . . . . . . . . 5539 1 143 . 1 1 12 12 GLN H H 1 7.13 0.01 . 1 . . . . . . . . 5539 1 144 . 1 1 12 12 GLN HA H 1 3.85 0.01 . 1 . . . . . . . . 5539 1 145 . 1 1 12 12 GLN HB2 H 1 1.62 0.01 . 1 . . . . . . . . 5539 1 146 . 1 1 12 12 GLN HB3 H 1 1.94 0.01 . 1 . . . . . . . . 5539 1 147 . 1 1 12 12 GLN HG2 H 1 1.85 0.01 . 1 . . . . . . . . 5539 1 148 . 1 1 12 12 GLN HG3 H 1 1.58 0.01 . 1 . . . . . . . . 5539 1 149 . 1 1 12 12 GLN HE21 H 1 6.31 0.01 . 1 . . . . . . . . 5539 1 150 . 1 1 12 12 GLN HE22 H 1 6.31 0.01 . 1 . . . . . . . . 5539 1 151 . 1 1 12 12 GLN C C 13 175.5 0.1 . 1 . . . . . . . . 5539 1 152 . 1 1 12 12 GLN CA C 13 54.6 0.1 . 1 . . . . . . . . 5539 1 153 . 1 1 12 12 GLN CB C 13 29.1 0.1 . 1 . . . . . . . . 5539 1 154 . 1 1 12 12 GLN CG C 13 33.1 0.1 . 1 . . . . . . . . 5539 1 155 . 1 1 12 12 GLN N N 15 118.7 0.1 . 1 . . . . . . . . 5539 1 156 . 1 1 12 12 GLN NE2 N 15 115.4 0.1 . 1 . . . . . . . . 5539 1 157 . 1 1 13 13 ARG H H 1 8.45 0.01 . 1 . . . . . . . . 5539 1 158 . 1 1 13 13 ARG HA H 1 3.97 0.01 . 1 . . . . . . . . 5539 1 159 . 1 1 13 13 ARG HB2 H 1 1.83 0.01 . 1 . . . . . . . . 5539 1 160 . 1 1 13 13 ARG HB3 H 1 1.83 0.01 . 1 . . . . . . . . 5539 1 161 . 1 1 13 13 ARG HG2 H 1 1.66 0.01 . 1 . . . . . . . . 5539 1 162 . 1 1 13 13 ARG HG3 H 1 1.74 0.01 . 1 . . . . . . . . 5539 1 163 . 1 1 13 13 ARG HD2 H 1 3.27 0.01 . 1 . . . . . . . . 5539 1 164 . 1 1 13 13 ARG HD3 H 1 3.27 0.01 . 1 . . . . . . . . 5539 1 165 . 1 1 13 13 ARG C C 13 177.6 0.1 . 1 . . . . . . . . 5539 1 166 . 1 1 13 13 ARG CA C 13 59.1 0.1 . 1 . . . . . . . . 5539 1 167 . 1 1 13 13 ARG CB C 13 29.7 0.1 . 1 . . . . . . . . 5539 1 168 . 1 1 13 13 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5539 1 169 . 1 1 13 13 ARG CD C 13 43.2 0.1 . 1 . . . . . . . . 5539 1 170 . 1 1 13 13 ARG N N 15 121.2 0.1 . 1 . . . . . . . . 5539 1 171 . 1 1 14 14 ARG H H 1 7.99 0.01 . 1 . . . . . . . . 5539 1 172 . 1 1 14 14 ARG HA H 1 4.70 0.01 . 1 . . . . . . . . 5539 1 173 . 1 1 14 14 ARG HB2 H 1 1.67 0.01 . 2 . . . . . . . . 5539 1 174 . 1 1 14 14 ARG HB3 H 1 1.49 0.01 . 2 . . . . . . . . 5539 1 175 . 1 1 14 14 ARG HG2 H 1 1.48 0.01 . 1 . . . . . . . . 5539 1 176 . 1 1 14 14 ARG HG3 H 1 1.48 0.01 . 1 . . . . . . . . 5539 1 177 . 1 1 14 14 ARG HD2 H 1 3.16 0.01 . 1 . . . . . . . . 5539 1 178 . 1 1 14 14 ARG HD3 H 1 3.16 0.01 . 1 . . . . . . . . 5539 1 179 . 1 1 14 14 ARG C C 13 177.6 0.1 . 1 . . . . . . . . 5539 1 180 . 1 1 14 14 ARG CA C 13 52.6 0.1 . 1 . . . . . . . . 5539 1 181 . 1 1 14 14 ARG CB C 13 31.1 0.1 . 1 . . . . . . . . 5539 1 182 . 1 1 14 14 ARG N N 15 116.5 0.1 . 1 . . . . . . . . 5539 1 183 . 1 1 15 15 PRO HA H 1 4.17 0.01 . 1 . . . . . . . . 5539 1 184 . 1 1 15 15 PRO HB2 H 1 1.69 0.01 . 1 . . . . . . . . 5539 1 185 . 1 1 15 15 PRO HB3 H 1 2.16 0.01 . 1 . . . . . . . . 5539 1 186 . 1 1 15 15 PRO HG2 H 1 1.99 0.01 . 1 . . . . . . . . 5539 1 187 . 1 1 15 15 PRO HG3 H 1 1.99 0.01 . 1 . . . . . . . . 5539 1 188 . 1 1 15 15 PRO HD2 H 1 3.47 0.01 . 1 . . . . . . . . 5539 1 189 . 1 1 15 15 PRO HD3 H 1 3.57 0.01 . 1 . . . . . . . . 5539 1 190 . 1 1 15 15 PRO C C 13 176.8 0.1 . 1 . . . . . . . . 5539 1 191 . 1 1 15 15 PRO CA C 13 63.5 0.1 . 1 . . . . . . . . 5539 1 192 . 1 1 15 15 PRO CB C 13 32.7 0.1 . 1 . . . . . . . . 5539 1 193 . 1 1 15 15 PRO CG C 13 27.7 0.1 . 1 . . . . . . . . 5539 1 194 . 1 1 15 15 PRO CD C 13 51.0 0.1 . 1 . . . . . . . . 5539 1 195 . 1 1 16 16 ARG H H 1 8.90 0.01 . 1 . . . . . . . . 5539 1 196 . 1 1 16 16 ARG HA H 1 4.98 0.01 . 1 . . . . . . . . 5539 1 197 . 1 1 16 16 ARG HB2 H 1 2.01 0.01 . 1 . . . . . . . . 5539 1 198 . 1 1 16 16 ARG HB3 H 1 1.35 0.01 . 1 . . . . . . . . 5539 1 199 . 1 1 16 16 ARG HG2 H 1 1.96 0.01 . 1 . . . . . . . . 5539 1 200 . 1 1 16 16 ARG HG3 H 1 1.96 0.01 . 1 . . . . . . . . 5539 1 201 . 1 1 16 16 ARG HD2 H 1 3.34 0.01 . 2 . . . . . . . . 5539 1 202 . 1 1 16 16 ARG HD3 H 1 3.25 0.01 . 2 . . . . . . . . 5539 1 203 . 1 1 16 16 ARG C C 13 176.8 0.1 . 1 . . . . . . . . 5539 1 204 . 1 1 16 16 ARG CA C 13 51.6 0.1 . 1 . . . . . . . . 5539 1 205 . 1 1 16 16 ARG CB C 13 32.6 0.1 . 1 . . . . . . . . 5539 1 206 . 1 1 16 16 ARG CG C 13 27.0 0.1 . 1 . . . . . . . . 5539 1 207 . 1 1 16 16 ARG CD C 13 40.8 0.1 . 1 . . . . . . . . 5539 1 208 . 1 1 16 16 ARG N N 15 123.7 0.1 . 1 . . . . . . . . 5539 1 209 . 1 1 17 17 SER H H 1 9.14 0.01 . 1 . . . . . . . . 5539 1 210 . 1 1 17 17 SER HA H 1 4.40 0.01 . 1 . . . . . . . . 5539 1 211 . 1 1 17 17 SER HB2 H 1 4.12 0.01 . 1 . . . . . . . . 5539 1 212 . 1 1 17 17 SER HB3 H 1 4.26 0.01 . 1 . . . . . . . . 5539 1 213 . 1 1 17 17 SER C C 13 175.3 0.1 . 1 . . . . . . . . 5539 1 214 . 1 1 17 17 SER CA C 13 58.7 0.1 . 1 . . . . . . . . 5539 1 215 . 1 1 17 17 SER CB C 13 63.9 0.1 . 1 . . . . . . . . 5539 1 216 . 1 1 17 17 SER N N 15 116.9 0.1 . 1 . . . . . . . . 5539 1 217 . 1 1 18 18 LEU H H 1 8.71 0.01 . 1 . . . . . . . . 5539 1 218 . 1 1 18 18 LEU HA H 1 3.83 0.01 . 1 . . . . . . . . 5539 1 219 . 1 1 18 18 LEU HB2 H 1 1.80 0.01 . 2 . . . . . . . . 5539 1 220 . 1 1 18 18 LEU HB3 H 1 1.46 0.01 . 2 . . . . . . . . 5539 1 221 . 1 1 18 18 LEU HG H 1 1.81 0.01 . 1 . . . . . . . . 5539 1 222 . 1 1 18 18 LEU HD11 H 1 0.86 0.01 . 1 . . . . . . . . 5539 1 223 . 1 1 18 18 LEU HD12 H 1 0.86 0.01 . 1 . . . . . . . . 5539 1 224 . 1 1 18 18 LEU HD13 H 1 0.86 0.01 . 1 . . . . . . . . 5539 1 225 . 1 1 18 18 LEU HD21 H 1 1.01 0.01 . 1 . . . . . . . . 5539 1 226 . 1 1 18 18 LEU HD22 H 1 1.01 0.01 . 1 . . . . . . . . 5539 1 227 . 1 1 18 18 LEU HD23 H 1 1.01 0.01 . 1 . . . . . . . . 5539 1 228 . 1 1 18 18 LEU C C 13 179.3 0.1 . 1 . . . . . . . . 5539 1 229 . 1 1 18 18 LEU CA C 13 58.5 0.1 . 1 . . . . . . . . 5539 1 230 . 1 1 18 18 LEU CB C 13 40.4 0.1 . 1 . . . . . . . . 5539 1 231 . 1 1 18 18 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . 5539 1 232 . 1 1 18 18 LEU CD1 C 13 22.8 0.1 . 1 . . . . . . . . 5539 1 233 . 1 1 18 18 LEU CD2 C 13 25.4 0.1 . 1 . . . . . . . . 5539 1 234 . 1 1 18 18 LEU N N 15 121.8 0.1 . 1 . . . . . . . . 5539 1 235 . 1 1 19 19 GLU H H 1 8.48 0.01 . 1 . . . . . . . . 5539 1 236 . 1 1 19 19 GLU HA H 1 3.93 0.01 . 1 . . . . . . . . 5539 1 237 . 1 1 19 19 GLU HB2 H 1 2.04 0.01 . 2 . . . . . . . . 5539 1 238 . 1 1 19 19 GLU HB3 H 1 1.90 0.01 . 2 . . . . . . . . 5539 1 239 . 1 1 19 19 GLU HG2 H 1 2.36 0.01 . 2 . . . . . . . . 5539 1 240 . 1 1 19 19 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5539 1 241 . 1 1 19 19 GLU C C 13 179.4 0.1 . 1 . . . . . . . . 5539 1 242 . 1 1 19 19 GLU CA C 13 59.8 0.1 . 1 . . . . . . . . 5539 1 243 . 1 1 19 19 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5539 1 244 . 1 1 19 19 GLU CG C 13 36.6 0.1 . 1 . . . . . . . . 5539 1 245 . 1 1 19 19 GLU N N 15 116.7 0.1 . 1 . . . . . . . . 5539 1 246 . 1 1 20 20 THR H H 1 7.62 0.01 . 1 . . . . . . . . 5539 1 247 . 1 1 20 20 THR HA H 1 3.53 0.01 . 1 . . . . . . . . 5539 1 248 . 1 1 20 20 THR HB H 1 4.04 0.01 . 1 . . . . . . . . 5539 1 249 . 1 1 20 20 THR HG21 H 1 0.29 0.01 . 1 . . . . . . . . 5539 1 250 . 1 1 20 20 THR HG22 H 1 0.29 0.01 . 1 . . . . . . . . 5539 1 251 . 1 1 20 20 THR HG23 H 1 0.29 0.01 . 1 . . . . . . . . 5539 1 252 . 1 1 20 20 THR C C 13 174.1 0.1 . 1 . . . . . . . . 5539 1 253 . 1 1 20 20 THR CA C 13 66.6 0.1 . 1 . . . . . . . . 5539 1 254 . 1 1 20 20 THR CB C 13 67.5 0.1 . 1 . . . . . . . . 5539 1 255 . 1 1 20 20 THR CG2 C 13 21.6 0.1 . 1 . . . . . . . . 5539 1 256 . 1 1 20 20 THR N N 15 120.0 0.1 . 1 . . . . . . . . 5539 1 257 . 1 1 21 21 VAL H H 1 7.23 0.01 . 1 . . . . . . . . 5539 1 258 . 1 1 21 21 VAL HA H 1 3.10 0.01 . 1 . . . . . . . . 5539 1 259 . 1 1 21 21 VAL HB H 1 1.96 0.01 . 1 . . . . . . . . 5539 1 260 . 1 1 21 21 VAL HG11 H 1 1.07 0.01 . 1 . . . . . . . . 5539 1 261 . 1 1 21 21 VAL HG12 H 1 1.07 0.01 . 1 . . . . . . . . 5539 1 262 . 1 1 21 21 VAL HG13 H 1 1.07 0.01 . 1 . . . . . . . . 5539 1 263 . 1 1 21 21 VAL HG21 H 1 0.81 0.01 . 1 . . . . . . . . 5539 1 264 . 1 1 21 21 VAL HG22 H 1 0.81 0.01 . 1 . . . . . . . . 5539 1 265 . 1 1 21 21 VAL HG23 H 1 0.81 0.01 . 1 . . . . . . . . 5539 1 266 . 1 1 21 21 VAL C C 13 178.2 0.1 . 1 . . . . . . . . 5539 1 267 . 1 1 21 21 VAL CA C 13 66.5 0.1 . 1 . . . . . . . . 5539 1 268 . 1 1 21 21 VAL CB C 13 31.3 0.1 . 1 . . . . . . . . 5539 1 269 . 1 1 21 21 VAL CG1 C 13 23.2 0.1 . 1 . . . . . . . . 5539 1 270 . 1 1 21 21 VAL CG2 C 13 22.2 0.1 . 1 . . . . . . . . 5539 1 271 . 1 1 21 21 VAL N N 15 119.5 0.1 . 1 . . . . . . . . 5539 1 272 . 1 1 22 22 ARG H H 1 8.42 0.01 . 1 . . . . . . . . 5539 1 273 . 1 1 22 22 ARG HA H 1 3.71 0.01 . 1 . . . . . . . . 5539 1 274 . 1 1 22 22 ARG HB2 H 1 1.90 0.01 . 2 . . . . . . . . 5539 1 275 . 1 1 22 22 ARG HB3 H 1 1.82 0.01 . 2 . . . . . . . . 5539 1 276 . 1 1 22 22 ARG HG2 H 1 1.85 0.01 . 2 . . . . . . . . 5539 1 277 . 1 1 22 22 ARG HG3 H 1 1.53 0.01 . 2 . . . . . . . . 5539 1 278 . 1 1 22 22 ARG HD2 H 1 3.27 0.01 . 2 . . . . . . . . 5539 1 279 . 1 1 22 22 ARG HD3 H 1 3.19 0.01 . 2 . . . . . . . . 5539 1 280 . 1 1 22 22 ARG C C 13 179.2 0.1 . 1 . . . . . . . . 5539 1 281 . 1 1 22 22 ARG CA C 13 60.6 0.1 . 1 . . . . . . . . 5539 1 282 . 1 1 22 22 ARG CB C 13 30.2 0.1 . 1 . . . . . . . . 5539 1 283 . 1 1 22 22 ARG CG C 13 30.0 0.1 . 1 . . . . . . . . 5539 1 284 . 1 1 22 22 ARG CD C 13 43.6 0.1 . 1 . . . . . . . . 5539 1 285 . 1 1 22 22 ARG N N 15 117.0 0.1 . 1 . . . . . . . . 5539 1 286 . 1 1 23 23 ARG H H 1 7.68 0.01 . 1 . . . . . . . . 5539 1 287 . 1 1 23 23 ARG HA H 1 3.98 0.01 . 1 . . . . . . . . 5539 1 288 . 1 1 23 23 ARG HB2 H 1 2.20 0.01 . 2 . . . . . . . . 5539 1 289 . 1 1 23 23 ARG HB3 H 1 1.77 0.01 . 2 . . . . . . . . 5539 1 290 . 1 1 23 23 ARG HG2 H 1 1.59 0.01 . 1 . . . . . . . . 5539 1 291 . 1 1 23 23 ARG HG3 H 1 1.59 0.01 . 1 . . . . . . . . 5539 1 292 . 1 1 23 23 ARG HD2 H 1 3.42 0.01 . 2 . . . . . . . . 5539 1 293 . 1 1 23 23 ARG HD3 H 1 3.19 0.01 . 2 . . . . . . . . 5539 1 294 . 1 1 23 23 ARG C C 13 177.8 0.1 . 1 . . . . . . . . 5539 1 295 . 1 1 23 23 ARG CA C 13 60.2 0.1 . 1 . . . . . . . . 5539 1 296 . 1 1 23 23 ARG CB C 13 28.7 0.1 . 1 . . . . . . . . 5539 1 297 . 1 1 23 23 ARG CG C 13 27.7 0.1 . 1 . . . . . . . . 5539 1 298 . 1 1 23 23 ARG CD C 13 43.6 0.1 . 1 . . . . . . . . 5539 1 299 . 1 1 23 23 ARG N N 15 122.3 0.1 . 1 . . . . . . . . 5539 1 300 . 1 1 24 24 TRP H H 1 8.28 0.01 . 1 . . . . . . . . 5539 1 301 . 1 1 24 24 TRP HA H 1 4.56 0.01 . 1 . . . . . . . . 5539 1 302 . 1 1 24 24 TRP HB2 H 1 2.88 0.01 . 1 . . . . . . . . 5539 1 303 . 1 1 24 24 TRP HB3 H 1 3.93 0.01 . 1 . . . . . . . . 5539 1 304 . 1 1 24 24 TRP HD1 H 1 7.05 0.01 . 1 . . . . . . . . 5539 1 305 . 1 1 24 24 TRP HE1 H 1 10.71 0.01 . 1 . . . . . . . . 5539 1 306 . 1 1 24 24 TRP HE3 H 1 7.59 0.01 . 1 . . . . . . . . 5539 1 307 . 1 1 24 24 TRP HZ2 H 1 7.52 0.01 . 1 . . . . . . . . 5539 1 308 . 1 1 24 24 TRP HZ3 H 1 7.46 0.01 . 1 . . . . . . . . 5539 1 309 . 1 1 24 24 TRP HH2 H 1 7.36 0.01 . 1 . . . . . . . . 5539 1 310 . 1 1 24 24 TRP C C 13 179.3 0.1 . 1 . . . . . . . . 5539 1 311 . 1 1 24 24 TRP CA C 13 58.5 0.1 . 1 . . . . . . . . 5539 1 312 . 1 1 24 24 TRP CB C 13 28.9 0.1 . 1 . . . . . . . . 5539 1 313 . 1 1 24 24 TRP N N 15 120.2 0.1 . 1 . . . . . . . . 5539 1 314 . 1 1 24 24 TRP NE1 N 15 130.2 0.1 . 1 . . . . . . . . 5539 1 315 . 1 1 25 25 VAL H H 1 8.09 0.01 . 1 . . . . . . . . 5539 1 316 . 1 1 25 25 VAL HA H 1 3.52 0.01 . 1 . . . . . . . . 5539 1 317 . 1 1 25 25 VAL HB H 1 2.08 0.01 . 1 . . . . . . . . 5539 1 318 . 1 1 25 25 VAL HG11 H 1 0.26 0.01 . 1 . . . . . . . . 5539 1 319 . 1 1 25 25 VAL HG12 H 1 0.26 0.01 . 1 . . . . . . . . 5539 1 320 . 1 1 25 25 VAL HG13 H 1 0.26 0.01 . 1 . . . . . . . . 5539 1 321 . 1 1 25 25 VAL HG21 H 1 0.79 0.01 . 1 . . . . . . . . 5539 1 322 . 1 1 25 25 VAL HG22 H 1 0.79 0.01 . 1 . . . . . . . . 5539 1 323 . 1 1 25 25 VAL HG23 H 1 0.79 0.01 . 1 . . . . . . . . 5539 1 324 . 1 1 25 25 VAL C C 13 180.4 0.1 . 1 . . . . . . . . 5539 1 325 . 1 1 25 25 VAL CA C 13 66.7 0.1 . 1 . . . . . . . . 5539 1 326 . 1 1 25 25 VAL CB C 13 31.3 0.1 . 1 . . . . . . . . 5539 1 327 . 1 1 25 25 VAL CG1 C 13 20.6 0.1 . 1 . . . . . . . . 5539 1 328 . 1 1 25 25 VAL CG2 C 13 23.6 0.1 . 1 . . . . . . . . 5539 1 329 . 1 1 25 25 VAL N N 15 118.0 0.1 . 1 . . . . . . . . 5539 1 330 . 1 1 26 26 ARG H H 1 8.06 0.01 . 1 . . . . . . . . 5539 1 331 . 1 1 26 26 ARG HA H 1 4.14 0.01 . 1 . . . . . . . . 5539 1 332 . 1 1 26 26 ARG HB2 H 1 2.09 0.01 . 1 . . . . . . . . 5539 1 333 . 1 1 26 26 ARG HB3 H 1 2.09 0.01 . 1 . . . . . . . . 5539 1 334 . 1 1 26 26 ARG HG2 H 1 1.87 0.01 . 2 . . . . . . . . 5539 1 335 . 1 1 26 26 ARG HG3 H 1 1.75 0.01 . 2 . . . . . . . . 5539 1 336 . 1 1 26 26 ARG HD2 H 1 3.35 0.01 . 2 . . . . . . . . 5539 1 337 . 1 1 26 26 ARG HD3 H 1 3.29 0.01 . 2 . . . . . . . . 5539 1 338 . 1 1 26 26 ARG C C 13 178.5 0.1 . 1 . . . . . . . . 5539 1 339 . 1 1 26 26 ARG CA C 13 59.6 0.1 . 1 . . . . . . . . 5539 1 340 . 1 1 26 26 ARG CB C 13 30.2 0.1 . 1 . . . . . . . . 5539 1 341 . 1 1 26 26 ARG CG C 13 28.1 0.1 . 1 . . . . . . . . 5539 1 342 . 1 1 26 26 ARG CD C 13 43.8 0.1 . 1 . . . . . . . . 5539 1 343 . 1 1 26 26 ARG N N 15 122.8 0.1 . 1 . . . . . . . . 5539 1 344 . 1 1 27 27 GLU H H 1 8.35 0.01 . 1 . . . . . . . . 5539 1 345 . 1 1 27 27 GLU HA H 1 4.31 0.01 . 1 . . . . . . . . 5539 1 346 . 1 1 27 27 GLU HB2 H 1 2.33 0.01 . 2 . . . . . . . . 5539 1 347 . 1 1 27 27 GLU HB3 H 1 2.08 0.01 . 2 . . . . . . . . 5539 1 348 . 1 1 27 27 GLU HG2 H 1 2.65 0.01 . 2 . . . . . . . . 5539 1 349 . 1 1 27 27 GLU HG3 H 1 2.28 0.01 . 2 . . . . . . . . 5539 1 350 . 1 1 27 27 GLU C C 13 175.2 0.1 . 1 . . . . . . . . 5539 1 351 . 1 1 27 27 GLU CA C 13 56.3 0.1 . 1 . . . . . . . . 5539 1 352 . 1 1 27 27 GLU CB C 13 30.2 0.1 . 1 . . . . . . . . 5539 1 353 . 1 1 27 27 GLU CG C 13 36.9 0.1 . 1 . . . . . . . . 5539 1 354 . 1 1 27 27 GLU N N 15 117.5 0.1 . 1 . . . . . . . . 5539 1 355 . 1 1 28 28 SER H H 1 7.96 0.01 . 1 . . . . . . . . 5539 1 356 . 1 1 28 28 SER HA H 1 4.32 0.01 . 1 . . . . . . . . 5539 1 357 . 1 1 28 28 SER HB2 H 1 4.20 0.01 . 2 . . . . . . . . 5539 1 358 . 1 1 28 28 SER HB3 H 1 4.14 0.01 . 2 . . . . . . . . 5539 1 359 . 1 1 28 28 SER C C 13 175.3 0.1 . 1 . . . . . . . . 5539 1 360 . 1 1 28 28 SER CA C 13 59.1 0.1 . 1 . . . . . . . . 5539 1 361 . 1 1 28 28 SER CB C 13 60.9 0.1 . 1 . . . . . . . . 5539 1 362 . 1 1 28 28 SER N N 15 111.9 0.1 . 1 . . . . . . . . 5539 1 363 . 1 1 29 29 ARG H H 1 8.33 0.01 . 1 . . . . . . . . 5539 1 364 . 1 1 29 29 ARG HA H 1 4.40 0.01 . 1 . . . . . . . . 5539 1 365 . 1 1 29 29 ARG HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5539 1 366 . 1 1 29 29 ARG HB3 H 1 2.26 0.01 . 1 . . . . . . . . 5539 1 367 . 1 1 29 29 ARG HG2 H 1 1.79 0.01 . 2 . . . . . . . . 5539 1 368 . 1 1 29 29 ARG HG3 H 1 1.57 0.01 . 2 . . . . . . . . 5539 1 369 . 1 1 29 29 ARG HD2 H 1 3.27 0.01 . 2 . . . . . . . . 5539 1 370 . 1 1 29 29 ARG HD3 H 1 3.16 0.01 . 2 . . . . . . . . 5539 1 371 . 1 1 29 29 ARG C C 13 174.2 0.1 . 1 . . . . . . . . 5539 1 372 . 1 1 29 29 ARG CA C 13 55.2 0.1 . 1 . . . . . . . . 5539 1 373 . 1 1 29 29 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5539 1 374 . 1 1 29 29 ARG CG C 13 27.4 0.1 . 1 . . . . . . . . 5539 1 375 . 1 1 29 29 ARG CD C 13 43.8 0.1 . 1 . . . . . . . . 5539 1 376 . 1 1 29 29 ARG N N 15 114.5 0.1 . 1 . . . . . . . . 5539 1 377 . 1 1 30 30 ILE H H 1 7.47 0.01 . 1 . . . . . . . . 5539 1 378 . 1 1 30 30 ILE HA H 1 4.85 0.01 . 1 . . . . . . . . 5539 1 379 . 1 1 30 30 ILE HB H 1 1.57 0.01 . 1 . . . . . . . . 5539 1 380 . 1 1 30 30 ILE HG12 H 1 1.10 0.01 . 1 . . . . . . . . 5539 1 381 . 1 1 30 30 ILE HG13 H 1 1.10 0.01 . 1 . . . . . . . . 5539 1 382 . 1 1 30 30 ILE HG21 H 1 0.43 0.01 . 1 . . . . . . . . 5539 1 383 . 1 1 30 30 ILE HG22 H 1 0.43 0.01 . 1 . . . . . . . . 5539 1 384 . 1 1 30 30 ILE HG23 H 1 0.43 0.01 . 1 . . . . . . . . 5539 1 385 . 1 1 30 30 ILE HD11 H 1 0.71 0.01 . 1 . . . . . . . . 5539 1 386 . 1 1 30 30 ILE HD12 H 1 0.71 0.01 . 1 . . . . . . . . 5539 1 387 . 1 1 30 30 ILE HD13 H 1 0.71 0.01 . 1 . . . . . . . . 5539 1 388 . 1 1 30 30 ILE C C 13 175.1 0.1 . 1 . . . . . . . . 5539 1 389 . 1 1 30 30 ILE CA C 13 58.1 0.1 . 1 . . . . . . . . 5539 1 390 . 1 1 30 30 ILE CB C 13 38.0 0.1 . 1 . . . . . . . . 5539 1 391 . 1 1 30 30 ILE CG1 C 13 26.7 0.1 . 1 . . . . . . . . 5539 1 392 . 1 1 30 30 ILE CG2 C 13 17.2 0.1 . 1 . . . . . . . . 5539 1 393 . 1 1 30 30 ILE CD1 C 13 11.4 0.1 . 1 . . . . . . . . 5539 1 394 . 1 1 30 30 ILE N N 15 117.4 0.1 . 1 . . . . . . . . 5539 1 395 . 1 1 31 31 PHE H H 1 9.08 0.01 . 1 . . . . . . . . 5539 1 396 . 1 1 31 31 PHE HA H 1 4.52 0.01 . 1 . . . . . . . . 5539 1 397 . 1 1 31 31 PHE HB2 H 1 2.77 0.01 . 1 . . . . . . . . 5539 1 398 . 1 1 31 31 PHE HB3 H 1 2.85 0.01 . 1 . . . . . . . . 5539 1 399 . 1 1 31 31 PHE HD1 H 1 7.19 0.01 . 1 . . . . . . . . 5539 1 400 . 1 1 31 31 PHE HD2 H 1 7.19 0.01 . 1 . . . . . . . . 5539 1 401 . 1 1 31 31 PHE HE1 H 1 7.33 0.01 . 1 . . . . . . . . 5539 1 402 . 1 1 31 31 PHE HE2 H 1 7.33 0.01 . 1 . . . . . . . . 5539 1 403 . 1 1 31 31 PHE HZ H 1 7.33 0.01 . 1 . . . . . . . . 5539 1 404 . 1 1 31 31 PHE C C 13 173.7 0.1 . 1 . . . . . . . . 5539 1 405 . 1 1 31 31 PHE CA C 13 55.4 0.1 . 1 . . . . . . . . 5539 1 406 . 1 1 31 31 PHE CB C 13 43.8 0.1 . 1 . . . . . . . . 5539 1 407 . 1 1 31 31 PHE N N 15 128.0 0.1 . 1 . . . . . . . . 5539 1 408 . 1 1 32 32 PRO HA H 1 3.66 0.01 . 1 . . . . . . . . 5539 1 409 . 1 1 32 32 PRO HB2 H 1 1.58 0.01 . 1 . . . . . . . . 5539 1 410 . 1 1 32 32 PRO HB3 H 1 1.96 0.01 . 1 . . . . . . . . 5539 1 411 . 1 1 32 32 PRO HG2 H 1 1.40 0.01 . 2 . . . . . . . . 5539 1 412 . 1 1 32 32 PRO HG3 H 1 1.29 0.01 . 2 . . . . . . . . 5539 1 413 . 1 1 32 32 PRO HD2 H 1 3.06 0.01 . 1 . . . . . . . . 5539 1 414 . 1 1 32 32 PRO HD3 H 1 3.40 0.01 . 1 . . . . . . . . 5539 1 415 . 1 1 32 32 PRO CA C 13 61.5 0.1 . 1 . . . . . . . . 5539 1 416 . 1 1 32 32 PRO CB C 13 32.1 0.1 . 1 . . . . . . . . 5539 1 417 . 1 1 32 32 PRO CG C 13 25.3 0.1 . 1 . . . . . . . . 5539 1 418 . 1 1 32 32 PRO CD C 13 49.7 0.1 . 1 . . . . . . . . 5539 1 419 . 1 1 33 33 PRO HA H 1 4.34 0.01 . 1 . . . . . . . . 5539 1 420 . 1 1 33 33 PRO HB2 H 1 1.84 0.01 . 1 . . . . . . . . 5539 1 421 . 1 1 33 33 PRO HB3 H 1 2.25 0.01 . 1 . . . . . . . . 5539 1 422 . 1 1 33 33 PRO HG2 H 1 2.11 0.01 . 2 . . . . . . . . 5539 1 423 . 1 1 33 33 PRO HG3 H 1 2.08 0.01 . 2 . . . . . . . . 5539 1 424 . 1 1 33 33 PRO HD2 H 1 3.54 0.01 . 2 . . . . . . . . 5539 1 425 . 1 1 33 33 PRO HD3 H 1 3.44 0.01 . 2 . . . . . . . . 5539 1 426 . 1 1 33 33 PRO CA C 13 61.1 0.1 . 1 . . . . . . . . 5539 1 427 . 1 1 33 33 PRO CB C 13 30.7 0.1 . 1 . . . . . . . . 5539 1 428 . 1 1 33 33 PRO CG C 13 27.8 0.1 . 1 . . . . . . . . 5539 1 429 . 1 1 33 33 PRO CD C 13 50.0 0.1 . 1 . . . . . . . . 5539 1 430 . 1 1 34 34 PRO HA H 1 4.52 0.01 . 1 . . . . . . . . 5539 1 431 . 1 1 34 34 PRO HB2 H 1 1.22 0.01 . 2 . . . . . . . . 5539 1 432 . 1 1 34 34 PRO HB3 H 1 1.00 0.01 . 2 . . . . . . . . 5539 1 433 . 1 1 34 34 PRO HG2 H 1 1.15 0.01 . 2 . . . . . . . . 5539 1 434 . 1 1 34 34 PRO HG3 H 1 0.69 0.01 . 2 . . . . . . . . 5539 1 435 . 1 1 34 34 PRO HD2 H 1 3.40 0.01 . 1 . . . . . . . . 5539 1 436 . 1 1 34 34 PRO HD3 H 1 3.23 0.01 . 1 . . . . . . . . 5539 1 437 . 1 1 34 34 PRO C C 13 175.9 0.1 . 1 . . . . . . . . 5539 1 438 . 1 1 34 34 PRO CA C 13 62.3 0.1 . 1 . . . . . . . . 5539 1 439 . 1 1 34 34 PRO CB C 13 32.6 0.1 . 1 . . . . . . . . 5539 1 440 . 1 1 34 34 PRO CG C 13 27.1 0.1 . 1 . . . . . . . . 5539 1 441 . 1 1 34 34 PRO CD C 13 50.2 0.1 . 1 . . . . . . . . 5539 1 442 . 1 1 35 35 VAL H H 1 8.60 0.01 . 1 . . . . . . . . 5539 1 443 . 1 1 35 35 VAL HA H 1 4.22 0.01 . 1 . . . . . . . . 5539 1 444 . 1 1 35 35 VAL HB H 1 1.83 0.01 . 1 . . . . . . . . 5539 1 445 . 1 1 35 35 VAL HG11 H 1 0.78 0.01 . 1 . . . . . . . . 5539 1 446 . 1 1 35 35 VAL HG12 H 1 0.78 0.01 . 1 . . . . . . . . 5539 1 447 . 1 1 35 35 VAL HG13 H 1 0.78 0.01 . 1 . . . . . . . . 5539 1 448 . 1 1 35 35 VAL HG21 H 1 0.75 0.01 . 1 . . . . . . . . 5539 1 449 . 1 1 35 35 VAL HG22 H 1 0.75 0.01 . 1 . . . . . . . . 5539 1 450 . 1 1 35 35 VAL HG23 H 1 0.75 0.01 . 1 . . . . . . . . 5539 1 451 . 1 1 35 35 VAL C C 13 175.0 0.1 . 1 . . . . . . . . 5539 1 452 . 1 1 35 35 VAL CA C 13 60.8 0.1 . 1 . . . . . . . . 5539 1 453 . 1 1 35 35 VAL CB C 13 34.3 0.1 . 1 . . . . . . . . 5539 1 454 . 1 1 35 35 VAL CG1 C 13 21.0 0.1 . 1 . . . . . . . . 5539 1 455 . 1 1 35 35 VAL CG2 C 13 20.6 0.1 . 1 . . . . . . . . 5539 1 456 . 1 1 35 35 VAL N N 15 119.9 0.1 . 1 . . . . . . . . 5539 1 457 . 1 1 36 36 LYS H H 1 8.52 0.01 . 1 . . . . . . . . 5539 1 458 . 1 1 36 36 LYS HA H 1 4.33 0.01 . 1 . . . . . . . . 5539 1 459 . 1 1 36 36 LYS HB2 H 1 1.69 0.01 . 2 . . . . . . . . 5539 1 460 . 1 1 36 36 LYS HB3 H 1 1.40 0.01 . 2 . . . . . . . . 5539 1 461 . 1 1 36 36 LYS HG2 H 1 0.86 0.01 . 1 . . . . . . . . 5539 1 462 . 1 1 36 36 LYS HG3 H 1 1.02 0.01 . 1 . . . . . . . . 5539 1 463 . 1 1 36 36 LYS HD2 H 1 1.41 0.01 . 1 . . . . . . . . 5539 1 464 . 1 1 36 36 LYS HD3 H 1 1.41 0.01 . 1 . . . . . . . . 5539 1 465 . 1 1 36 36 LYS HE2 H 1 2.71 0.01 . 1 . . . . . . . . 5539 1 466 . 1 1 36 36 LYS HE3 H 1 2.79 0.01 . 1 . . . . . . . . 5539 1 467 . 1 1 36 36 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 5539 1 468 . 1 1 36 36 LYS CA C 13 56.1 0.1 . 1 . . . . . . . . 5539 1 469 . 1 1 36 36 LYS CB C 13 33.5 0.1 . 1 . . . . . . . . 5539 1 470 . 1 1 36 36 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5539 1 471 . 1 1 36 36 LYS CD C 13 29.3 0.1 . 1 . . . . . . . . 5539 1 472 . 1 1 36 36 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5539 1 473 . 1 1 36 36 LYS N N 15 126.4 0.1 . 1 . . . . . . . . 5539 1 474 . 1 1 37 37 ASP H H 1 8.48 0.01 . 1 . . . . . . . . 5539 1 475 . 1 1 37 37 ASP HA H 1 4.68 0.01 . 1 . . . . . . . . 5539 1 476 . 1 1 37 37 ASP HB2 H 1 2.19 0.01 . 1 . . . . . . . . 5539 1 477 . 1 1 37 37 ASP HB3 H 1 2.55 0.01 . 1 . . . . . . . . 5539 1 478 . 1 1 37 37 ASP C C 13 175.9 0.1 . 1 . . . . . . . . 5539 1 479 . 1 1 37 37 ASP CA C 13 53.1 0.1 . 1 . . . . . . . . 5539 1 480 . 1 1 37 37 ASP CB C 13 42.1 0.1 . 1 . . . . . . . . 5539 1 481 . 1 1 37 37 ASP N N 15 127.6 0.1 . 1 . . . . . . . . 5539 1 482 . 1 1 38 38 GLY H H 1 8.59 0.01 . 1 . . . . . . . . 5539 1 483 . 1 1 38 38 GLY HA2 H 1 3.58 0.01 . 1 . . . . . . . . 5539 1 484 . 1 1 38 38 GLY HA3 H 1 4.01 0.01 . 1 . . . . . . . . 5539 1 485 . 1 1 38 38 GLY C C 13 175.9 0.1 . 1 . . . . . . . . 5539 1 486 . 1 1 38 38 GLY CA C 13 47.0 0.1 . 1 . . . . . . . . 5539 1 487 . 1 1 38 38 GLY N N 15 114.4 0.1 . 1 . . . . . . . . 5539 1 488 . 1 1 39 39 ARG H H 1 8.95 0.01 . 1 . . . . . . . . 5539 1 489 . 1 1 39 39 ARG HA H 1 4.26 0.01 . 1 . . . . . . . . 5539 1 490 . 1 1 39 39 ARG HB2 H 1 1.99 0.01 . 2 . . . . . . . . 5539 1 491 . 1 1 39 39 ARG HB3 H 1 1.76 0.01 . 2 . . . . . . . . 5539 1 492 . 1 1 39 39 ARG HG2 H 1 1.64 0.01 . 1 . . . . . . . . 5539 1 493 . 1 1 39 39 ARG HG3 H 1 1.64 0.01 . 1 . . . . . . . . 5539 1 494 . 1 1 39 39 ARG HD2 H 1 3.24 0.01 . 1 . . . . . . . . 5539 1 495 . 1 1 39 39 ARG HD3 H 1 3.24 0.01 . 1 . . . . . . . . 5539 1 496 . 1 1 39 39 ARG C C 13 175.8 0.1 . 1 . . . . . . . . 5539 1 497 . 1 1 39 39 ARG CA C 13 56.3 0.1 . 1 . . . . . . . . 5539 1 498 . 1 1 39 39 ARG CB C 13 30.8 0.1 . 1 . . . . . . . . 5539 1 499 . 1 1 39 39 ARG CG C 13 27.2 0.1 . 1 . . . . . . . . 5539 1 500 . 1 1 39 39 ARG CD C 13 43.3 0.1 . 1 . . . . . . . . 5539 1 501 . 1 1 39 39 ARG N N 15 125.8 0.1 . 1 . . . . . . . . 5539 1 502 . 1 1 40 40 GLU H H 1 7.82 0.01 . 1 . . . . . . . . 5539 1 503 . 1 1 40 40 GLU HA H 1 4.63 0.01 . 1 . . . . . . . . 5539 1 504 . 1 1 40 40 GLU HB2 H 1 2.17 0.01 . 2 . . . . . . . . 5539 1 505 . 1 1 40 40 GLU HB3 H 1 2.02 0.01 . 2 . . . . . . . . 5539 1 506 . 1 1 40 40 GLU HG2 H 1 2.39 0.01 . 2 . . . . . . . . 5539 1 507 . 1 1 40 40 GLU HG3 H 1 2.31 0.01 . 2 . . . . . . . . 5539 1 508 . 1 1 40 40 GLU C C 13 174.9 0.1 . 1 . . . . . . . . 5539 1 509 . 1 1 40 40 GLU CA C 13 54.6 0.1 . 1 . . . . . . . . 5539 1 510 . 1 1 40 40 GLU CB C 13 32.4 0.1 . 1 . . . . . . . . 5539 1 511 . 1 1 40 40 GLU CG C 13 35.9 0.1 . 1 . . . . . . . . 5539 1 512 . 1 1 40 40 GLU N N 15 119.6 0.1 . 1 . . . . . . . . 5539 1 513 . 1 1 41 41 TYR H H 1 8.56 0.01 . 1 . . . . . . . . 5539 1 514 . 1 1 41 41 TYR HA H 1 5.01 0.01 . 1 . . . . . . . . 5539 1 515 . 1 1 41 41 TYR HB2 H 1 2.82 0.01 . 1 . . . . . . . . 5539 1 516 . 1 1 41 41 TYR HB3 H 1 2.61 0.01 . 1 . . . . . . . . 5539 1 517 . 1 1 41 41 TYR HD1 H 1 6.88 0.01 . 1 . . . . . . . . 5539 1 518 . 1 1 41 41 TYR HD2 H 1 6.88 0.01 . 1 . . . . . . . . 5539 1 519 . 1 1 41 41 TYR HE1 H 1 6.74 0.01 . 1 . . . . . . . . 5539 1 520 . 1 1 41 41 TYR HE2 H 1 6.74 0.01 . 1 . . . . . . . . 5539 1 521 . 1 1 41 41 TYR C C 13 175.0 0.1 . 1 . . . . . . . . 5539 1 522 . 1 1 41 41 TYR CA C 13 58.1 0.1 . 1 . . . . . . . . 5539 1 523 . 1 1 41 41 TYR CB C 13 42.1 0.1 . 1 . . . . . . . . 5539 1 524 . 1 1 41 41 TYR N N 15 119.8 0.1 . 1 . . . . . . . . 5539 1 525 . 1 1 42 42 LEU H H 1 9.14 0.01 . 1 . . . . . . . . 5539 1 526 . 1 1 42 42 LEU HA H 1 5.18 0.01 . 1 . . . . . . . . 5539 1 527 . 1 1 42 42 LEU HB2 H 1 1.53 0.01 . 1 . . . . . . . . 5539 1 528 . 1 1 42 42 LEU HB3 H 1 1.17 0.01 . 1 . . . . . . . . 5539 1 529 . 1 1 42 42 LEU HG H 1 1.47 0.01 . 1 . . . . . . . . 5539 1 530 . 1 1 42 42 LEU HD11 H 1 0.76 0.01 . 1 . . . . . . . . 5539 1 531 . 1 1 42 42 LEU HD12 H 1 0.76 0.01 . 1 . . . . . . . . 5539 1 532 . 1 1 42 42 LEU HD13 H 1 0.76 0.01 . 1 . . . . . . . . 5539 1 533 . 1 1 42 42 LEU HD21 H 1 0.67 0.01 . 1 . . . . . . . . 5539 1 534 . 1 1 42 42 LEU HD22 H 1 0.67 0.01 . 1 . . . . . . . . 5539 1 535 . 1 1 42 42 LEU HD23 H 1 0.67 0.01 . 1 . . . . . . . . 5539 1 536 . 1 1 42 42 LEU C C 13 175.9 0.1 . 1 . . . . . . . . 5539 1 537 . 1 1 42 42 LEU CA C 13 53.3 0.1 . 1 . . . . . . . . 5539 1 538 . 1 1 42 42 LEU CB C 13 43.8 0.1 . 1 . . . . . . . . 5539 1 539 . 1 1 42 42 LEU CG C 13 26.8 0.1 . 1 . . . . . . . . 5539 1 540 . 1 1 42 42 LEU CD1 C 13 22.9 0.1 . 1 . . . . . . . . 5539 1 541 . 1 1 42 42 LEU CD2 C 13 25.6 0.1 . 1 . . . . . . . . 5539 1 542 . 1 1 42 42 LEU N N 15 121.8 0.1 . 1 . . . . . . . . 5539 1 543 . 1 1 43 43 PHE H H 1 10.04 0.01 . 1 . . . . . . . . 5539 1 544 . 1 1 43 43 PHE HA H 1 4.60 0.01 . 1 . . . . . . . . 5539 1 545 . 1 1 43 43 PHE HB2 H 1 2.77 0.01 . 2 . . . . . . . . 5539 1 546 . 1 1 43 43 PHE HB3 H 1 2.46 0.01 . 2 . . . . . . . . 5539 1 547 . 1 1 43 43 PHE HD1 H 1 6.28 0.01 . 1 . . . . . . . . 5539 1 548 . 1 1 43 43 PHE HD2 H 1 6.28 0.01 . 1 . . . . . . . . 5539 1 549 . 1 1 43 43 PHE HE1 H 1 6.28 0.01 . 1 . . . . . . . . 5539 1 550 . 1 1 43 43 PHE HE2 H 1 6.28 0.01 . 1 . . . . . . . . 5539 1 551 . 1 1 43 43 PHE HZ H 1 6.46 0.01 . 1 . . . . . . . . 5539 1 552 . 1 1 43 43 PHE C C 13 175.9 0.1 . 1 . . . . . . . . 5539 1 553 . 1 1 43 43 PHE CA C 13 55.8 0.1 . 1 . . . . . . . . 5539 1 554 . 1 1 43 43 PHE CB C 13 41.0 0.1 . 1 . . . . . . . . 5539 1 555 . 1 1 43 43 PHE N N 15 123.5 0.1 . 1 . . . . . . . . 5539 1 556 . 1 1 44 44 HIS H H 1 9.07 0.01 . 1 . . . . . . . . 5539 1 557 . 1 1 44 44 HIS HA H 1 4.02 0.01 . 1 . . . . . . . . 5539 1 558 . 1 1 44 44 HIS HB2 H 1 2.87 0.01 . 1 . . . . . . . . 5539 1 559 . 1 1 44 44 HIS HB3 H 1 2.73 0.01 . 1 . . . . . . . . 5539 1 560 . 1 1 44 44 HIS HD2 H 1 6.74 0.01 . 1 . . . . . . . . 5539 1 561 . 1 1 44 44 HIS HE1 H 1 7.72 0.01 . 1 . . . . . . . . 5539 1 562 . 1 1 44 44 HIS C C 13 177.6 0.1 . 1 . . . . . . . . 5539 1 563 . 1 1 44 44 HIS CA C 13 58.7 0.1 . 1 . . . . . . . . 5539 1 564 . 1 1 44 44 HIS CB C 13 31.5 0.1 . 1 . . . . . . . . 5539 1 565 . 1 1 44 44 HIS N N 15 124.4 0.1 . 1 . . . . . . . . 5539 1 566 . 1 1 45 45 GLU H H 1 8.32 0.01 . 1 . . . . . . . . 5539 1 567 . 1 1 45 45 GLU HA H 1 4.09 0.01 . 1 . . . . . . . . 5539 1 568 . 1 1 45 45 GLU HB2 H 1 2.10 0.01 . 2 . . . . . . . . 5539 1 569 . 1 1 45 45 GLU HB3 H 1 1.95 0.01 . 2 . . . . . . . . 5539 1 570 . 1 1 45 45 GLU HG2 H 1 2.21 0.01 . 2 . . . . . . . . 5539 1 571 . 1 1 45 45 GLU HG3 H 1 2.15 0.01 . 2 . . . . . . . . 5539 1 572 . 1 1 45 45 GLU C C 13 177.2 0.1 . 1 . . . . . . . . 5539 1 573 . 1 1 45 45 GLU CA C 13 59.6 0.1 . 1 . . . . . . . . 5539 1 574 . 1 1 45 45 GLU CB C 13 29.1 0.1 . 1 . . . . . . . . 5539 1 575 . 1 1 45 45 GLU CG C 13 35.4 0.1 . 1 . . . . . . . . 5539 1 576 . 1 1 45 45 GLU N N 15 124.8 0.1 . 1 . . . . . . . . 5539 1 577 . 1 1 46 46 SER H H 1 9.62 0.01 . 1 . . . . . . . . 5539 1 578 . 1 1 46 46 SER HA H 1 4.67 0.01 . 1 . . . . . . . . 5539 1 579 . 1 1 46 46 SER HB2 H 1 4.09 0.01 . 1 . . . . . . . . 5539 1 580 . 1 1 46 46 SER HB3 H 1 4.09 0.01 . 1 . . . . . . . . 5539 1 581 . 1 1 46 46 SER C C 13 175.0 0.1 . 1 . . . . . . . . 5539 1 582 . 1 1 46 46 SER CA C 13 58.2 0.1 . 1 . . . . . . . . 5539 1 583 . 1 1 46 46 SER CB C 13 64.1 0.1 . 1 . . . . . . . . 5539 1 584 . 1 1 46 46 SER N N 15 115.7 0.1 . 1 . . . . . . . . 5539 1 585 . 1 1 47 47 ALA H H 1 8.31 0.01 . 1 . . . . . . . . 5539 1 586 . 1 1 47 47 ALA HA H 1 4.92 0.01 . 1 . . . . . . . . 5539 1 587 . 1 1 47 47 ALA HB1 H 1 1.42 0.01 . 1 . . . . . . . . 5539 1 588 . 1 1 47 47 ALA HB2 H 1 1.42 0.01 . 1 . . . . . . . . 5539 1 589 . 1 1 47 47 ALA HB3 H 1 1.42 0.01 . 1 . . . . . . . . 5539 1 590 . 1 1 47 47 ALA C C 13 178.5 0.1 . 1 . . . . . . . . 5539 1 591 . 1 1 47 47 ALA CA C 13 53.1 0.1 . 1 . . . . . . . . 5539 1 592 . 1 1 47 47 ALA CB C 13 18.7 0.1 . 1 . . . . . . . . 5539 1 593 . 1 1 47 47 ALA N N 15 124.8 0.1 . 1 . . . . . . . . 5539 1 594 . 1 1 48 48 VAL H H 1 8.81 0.01 . 1 . . . . . . . . 5539 1 595 . 1 1 48 48 VAL HA H 1 5.16 0.01 . 1 . . . . . . . . 5539 1 596 . 1 1 48 48 VAL HB H 1 2.33 0.01 . 1 . . . . . . . . 5539 1 597 . 1 1 48 48 VAL HG11 H 1 1.15 0.01 . 1 . . . . . . . . 5539 1 598 . 1 1 48 48 VAL HG12 H 1 1.15 0.01 . 1 . . . . . . . . 5539 1 599 . 1 1 48 48 VAL HG13 H 1 1.15 0.01 . 1 . . . . . . . . 5539 1 600 . 1 1 48 48 VAL HG21 H 1 1.02 0.01 . 1 . . . . . . . . 5539 1 601 . 1 1 48 48 VAL HG22 H 1 1.02 0.01 . 1 . . . . . . . . 5539 1 602 . 1 1 48 48 VAL HG23 H 1 1.02 0.01 . 1 . . . . . . . . 5539 1 603 . 1 1 48 48 VAL C C 13 174.2 0.1 . 1 . . . . . . . . 5539 1 604 . 1 1 48 48 VAL CA C 13 59.3 0.1 . 1 . . . . . . . . 5539 1 605 . 1 1 48 48 VAL CB C 13 36.7 0.1 . 1 . . . . . . . . 5539 1 606 . 1 1 48 48 VAL CG1 C 13 21.7 0.1 . 1 . . . . . . . . 5539 1 607 . 1 1 48 48 VAL CG2 C 13 18.6 0.1 . 1 . . . . . . . . 5539 1 608 . 1 1 48 48 VAL N N 15 116.3 0.1 . 1 . . . . . . . . 5539 1 609 . 1 1 49 49 LYS H H 1 8.52 0.01 . 1 . . . . . . . . 5539 1 610 . 1 1 49 49 LYS HA H 1 4.90 0.01 . 1 . . . . . . . . 5539 1 611 . 1 1 49 49 LYS HB2 H 1 1.49 0.01 . 1 . . . . . . . . 5539 1 612 . 1 1 49 49 LYS HB3 H 1 1.32 0.01 . 1 . . . . . . . . 5539 1 613 . 1 1 49 49 LYS HG2 H 1 0.73 0.01 . 2 . . . . . . . . 5539 1 614 . 1 1 49 49 LYS HG3 H 1 0.28 0.01 . 2 . . . . . . . . 5539 1 615 . 1 1 49 49 LYS HD2 H 1 0.46 0.01 . 1 . . . . . . . . 5539 1 616 . 1 1 49 49 LYS HD3 H 1 0.37 0.01 . 1 . . . . . . . . 5539 1 617 . 1 1 49 49 LYS HE2 H 1 2.25 0.01 . 2 . . . . . . . . 5539 1 618 . 1 1 49 49 LYS HE3 H 1 1.90 0.01 . 2 . . . . . . . . 5539 1 619 . 1 1 49 49 LYS C C 13 176.7 0.1 . 1 . . . . . . . . 5539 1 620 . 1 1 49 49 LYS CA C 13 55.5 0.1 . 1 . . . . . . . . 5539 1 621 . 1 1 49 49 LYS CB C 13 32.6 0.1 . 1 . . . . . . . . 5539 1 622 . 1 1 49 49 LYS CG C 13 23.5 0.1 . 1 . . . . . . . . 5539 1 623 . 1 1 49 49 LYS CD C 13 28.5 0.1 . 1 . . . . . . . . 5539 1 624 . 1 1 49 49 LYS CE C 13 41.1 0.1 . 1 . . . . . . . . 5539 1 625 . 1 1 49 49 LYS N N 15 122.9 0.1 . 1 . . . . . . . . 5539 1 626 . 1 1 50 50 VAL H H 1 8.80 0.01 . 1 . . . . . . . . 5539 1 627 . 1 1 50 50 VAL HA H 1 4.27 0.01 . 1 . . . . . . . . 5539 1 628 . 1 1 50 50 VAL HB H 1 1.99 0.01 . 1 . . . . . . . . 5539 1 629 . 1 1 50 50 VAL HG11 H 1 0.79 0.01 . 1 . . . . . . . . 5539 1 630 . 1 1 50 50 VAL HG12 H 1 0.79 0.01 . 1 . . . . . . . . 5539 1 631 . 1 1 50 50 VAL HG13 H 1 0.79 0.01 . 1 . . . . . . . . 5539 1 632 . 1 1 50 50 VAL HG21 H 1 0.85 0.01 . 1 . . . . . . . . 5539 1 633 . 1 1 50 50 VAL HG22 H 1 0.85 0.01 . 1 . . . . . . . . 5539 1 634 . 1 1 50 50 VAL HG23 H 1 0.85 0.01 . 1 . . . . . . . . 5539 1 635 . 1 1 50 50 VAL C C 13 175.0 0.1 . 1 . . . . . . . . 5539 1 636 . 1 1 50 50 VAL CA C 13 60.9 0.1 . 1 . . . . . . . . 5539 1 637 . 1 1 50 50 VAL CB C 13 33.9 0.1 . 1 . . . . . . . . 5539 1 638 . 1 1 50 50 VAL CG1 C 13 20.0 0.1 . 1 . . . . . . . . 5539 1 639 . 1 1 50 50 VAL CG2 C 13 21.7 0.1 . 1 . . . . . . . . 5539 1 640 . 1 1 50 50 VAL N N 15 125.8 0.1 . 1 . . . . . . . . 5539 1 641 . 1 1 51 51 ASP H H 1 8.37 0.01 . 1 . . . . . . . . 5539 1 642 . 1 1 51 51 ASP HA H 1 4.63 0.01 . 1 . . . . . . . . 5539 1 643 . 1 1 51 51 ASP HB2 H 1 2.49 0.01 . 1 . . . . . . . . 5539 1 644 . 1 1 51 51 ASP HB3 H 1 2.70 0.01 . 1 . . . . . . . . 5539 1 645 . 1 1 51 51 ASP C C 13 176.1 0.1 . 1 . . . . . . . . 5539 1 646 . 1 1 51 51 ASP CA C 13 53.9 0.1 . 1 . . . . . . . . 5539 1 647 . 1 1 51 51 ASP CB C 13 41.9 0.1 . 1 . . . . . . . . 5539 1 648 . 1 1 51 51 ASP N N 15 123.9 0.1 . 1 . . . . . . . . 5539 1 649 . 1 1 52 52 LEU H H 1 8.33 0.01 . 1 . . . . . . . . 5539 1 650 . 1 1 52 52 LEU HA H 1 4.26 0.01 . 1 . . . . . . . . 5539 1 651 . 1 1 52 52 LEU HB2 H 1 1.58 0.01 . 1 . . . . . . . . 5539 1 652 . 1 1 52 52 LEU HB3 H 1 1.58 0.01 . 1 . . . . . . . . 5539 1 653 . 1 1 52 52 LEU HG H 1 1.58 0.01 . 1 . . . . . . . . 5539 1 654 . 1 1 52 52 LEU HD11 H 1 0.92 0.01 . 2 . . . . . . . . 5539 1 655 . 1 1 52 52 LEU HD12 H 1 0.92 0.01 . 2 . . . . . . . . 5539 1 656 . 1 1 52 52 LEU HD13 H 1 0.92 0.01 . 2 . . . . . . . . 5539 1 657 . 1 1 52 52 LEU HD21 H 1 0.84 0.01 . 2 . . . . . . . . 5539 1 658 . 1 1 52 52 LEU HD22 H 1 0.84 0.01 . 2 . . . . . . . . 5539 1 659 . 1 1 52 52 LEU HD23 H 1 0.84 0.01 . 2 . . . . . . . . 5539 1 660 . 1 1 52 52 LEU C C 13 177.1 0.1 . 1 . . . . . . . . 5539 1 661 . 1 1 52 52 LEU CA C 13 55.5 0.1 . 1 . . . . . . . . 5539 1 662 . 1 1 52 52 LEU CB C 13 42.5 0.1 . 1 . . . . . . . . 5539 1 663 . 1 1 52 52 LEU CG C 13 27.0 0.1 . 1 . . . . . . . . 5539 1 664 . 1 1 52 52 LEU CD1 C 13 24.9 0.1 . 2 . . . . . . . . 5539 1 665 . 1 1 52 52 LEU CD2 C 13 23.3 0.1 . 2 . . . . . . . . 5539 1 666 . 1 1 52 52 LEU N N 15 122.6 0.1 . 1 . . . . . . . . 5539 1 667 . 1 1 53 53 ASN H H 1 8.49 0.01 . 1 . . . . . . . . 5539 1 668 . 1 1 53 53 ASN HA H 1 4.65 0.01 . 1 . . . . . . . . 5539 1 669 . 1 1 53 53 ASN HB2 H 1 2.79 0.01 . 1 . . . . . . . . 5539 1 670 . 1 1 53 53 ASN HB3 H 1 2.79 0.01 . 1 . . . . . . . . 5539 1 671 . 1 1 53 53 ASN HD21 H 1 7.63 0.01 . 2 . . . . . . . . 5539 1 672 . 1 1 53 53 ASN HD22 H 1 6.89 0.01 . 2 . . . . . . . . 5539 1 673 . 1 1 53 53 ASN C C 13 174.7 0.1 . 1 . . . . . . . . 5539 1 674 . 1 1 53 53 ASN CA C 13 53.3 0.1 . 1 . . . . . . . . 5539 1 675 . 1 1 53 53 ASN CB C 13 38.8 0.1 . 1 . . . . . . . . 5539 1 676 . 1 1 53 53 ASN N N 15 118.5 0.1 . 1 . . . . . . . . 5539 1 677 . 1 1 53 53 ASN ND2 N 15 113.3 0.1 . 1 . . . . . . . . 5539 1 678 . 1 1 54 54 ARG H H 1 7.95 0.01 . 1 . . . . . . . . 5539 1 679 . 1 1 54 54 ARG HA H 1 4.70 0.01 . 1 . . . . . . . . 5539 1 680 . 1 1 54 54 ARG HB2 H 1 1.85 0.01 . 2 . . . . . . . . 5539 1 681 . 1 1 54 54 ARG HB3 H 1 1.69 0.01 . 2 . . . . . . . . 5539 1 682 . 1 1 54 54 ARG HG2 H 1 1.69 0.01 . 1 . . . . . . . . 5539 1 683 . 1 1 54 54 ARG HG3 H 1 1.69 0.01 . 1 . . . . . . . . 5539 1 684 . 1 1 54 54 ARG HD2 H 1 3.22 0.01 . 1 . . . . . . . . 5539 1 685 . 1 1 54 54 ARG HD3 H 1 3.22 0.01 . 1 . . . . . . . . 5539 1 686 . 1 1 54 54 ARG C C 13 173.8 0.1 . 1 . . . . . . . . 5539 1 687 . 1 1 54 54 ARG CA C 13 53.9 0.1 . 1 . . . . . . . . 5539 1 688 . 1 1 54 54 ARG CB C 13 30.4 0.1 . 1 . . . . . . . . 5539 1 689 . 1 1 54 54 ARG N N 15 121.6 0.1 . 1 . . . . . . . . 5539 1 690 . 1 1 55 55 PRO HA H 1 4.47 0.01 . 1 . . . . . . . . 5539 1 691 . 1 1 55 55 PRO HB2 H 1 2.28 0.01 . 2 . . . . . . . . 5539 1 692 . 1 1 55 55 PRO HB3 H 1 1.88 0.01 . 2 . . . . . . . . 5539 1 693 . 1 1 55 55 PRO HG2 H 1 2.00 0.01 . 1 . . . . . . . . 5539 1 694 . 1 1 55 55 PRO HG3 H 1 2.00 0.01 . 1 . . . . . . . . 5539 1 695 . 1 1 55 55 PRO HD2 H 1 3.75 0.01 . 2 . . . . . . . . 5539 1 696 . 1 1 55 55 PRO HD3 H 1 3.61 0.01 . 2 . . . . . . . . 5539 1 697 . 1 1 55 55 PRO C C 13 177.0 0.1 . 1 . . . . . . . . 5539 1 698 . 1 1 55 55 PRO CA C 13 63.2 0.1 . 1 . . . . . . . . 5539 1 699 . 1 1 55 55 PRO CB C 13 32.1 0.1 . 1 . . . . . . . . 5539 1 700 . 1 1 55 55 PRO CG C 13 27.5 0.1 . 1 . . . . . . . . 5539 1 701 . 1 1 55 55 PRO CD C 13 50.6 0.1 . 1 . . . . . . . . 5539 1 702 . 1 1 56 56 VAL H H 1 8.32 0.01 . 1 . . . . . . . . 5539 1 703 . 1 1 56 56 VAL HA H 1 4.14 0.01 . 1 . . . . . . . . 5539 1 704 . 1 1 56 56 VAL HB H 1 2.07 0.01 . 1 . . . . . . . . 5539 1 705 . 1 1 56 56 VAL HG11 H 1 0.93 0.01 . 1 . . . . . . . . 5539 1 706 . 1 1 56 56 VAL HG12 H 1 0.93 0.01 . 1 . . . . . . . . 5539 1 707 . 1 1 56 56 VAL HG13 H 1 0.93 0.01 . 1 . . . . . . . . 5539 1 708 . 1 1 56 56 VAL HG21 H 1 0.91 0.01 . 1 . . . . . . . . 5539 1 709 . 1 1 56 56 VAL HG22 H 1 0.91 0.01 . 1 . . . . . . . . 5539 1 710 . 1 1 56 56 VAL HG23 H 1 0.91 0.01 . 1 . . . . . . . . 5539 1 711 . 1 1 56 56 VAL C C 13 176.4 0.1 . 1 . . . . . . . . 5539 1 712 . 1 1 56 56 VAL CA C 13 62.6 0.1 . 1 . . . . . . . . 5539 1 713 . 1 1 56 56 VAL CB C 13 32.6 0.1 . 1 . . . . . . . . 5539 1 714 . 1 1 56 56 VAL CG1 C 13 20.6 0.1 . 1 . . . . . . . . 5539 1 715 . 1 1 56 56 VAL CG2 C 13 21.4 0.1 . 1 . . . . . . . . 5539 1 716 . 1 1 56 56 VAL N N 15 120.7 0.1 . 1 . . . . . . . . 5539 1 717 . 1 1 57 57 THR H H 1 8.05 0.01 . 1 . . . . . . . . 5539 1 718 . 1 1 57 57 THR HA H 1 4.38 0.01 . 1 . . . . . . . . 5539 1 719 . 1 1 57 57 THR HB H 1 4.26 0.01 . 1 . . . . . . . . 5539 1 720 . 1 1 57 57 THR HG21 H 1 1.22 0.01 . 1 . . . . . . . . 5539 1 721 . 1 1 57 57 THR HG22 H 1 1.22 0.01 . 1 . . . . . . . . 5539 1 722 . 1 1 57 57 THR HG23 H 1 1.22 0.01 . 1 . . . . . . . . 5539 1 723 . 1 1 57 57 THR C C 13 175.1 0.1 . 1 . . . . . . . . 5539 1 724 . 1 1 57 57 THR CA C 13 61.9 0.1 . 1 . . . . . . . . 5539 1 725 . 1 1 57 57 THR CB C 13 70.1 0.1 . 1 . . . . . . . . 5539 1 726 . 1 1 57 57 THR CG2 C 13 21.5 0.1 . 1 . . . . . . . . 5539 1 727 . 1 1 57 57 THR N N 15 117.3 0.1 . 1 . . . . . . . . 5539 1 728 . 1 1 58 58 GLY H H 1 8.47 0.01 . 1 . . . . . . . . 5539 1 729 . 1 1 58 58 GLY HA2 H 1 4.04 0.01 . 1 . . . . . . . . 5539 1 730 . 1 1 58 58 GLY HA3 H 1 4.04 0.01 . 1 . . . . . . . . 5539 1 731 . 1 1 58 58 GLY C C 13 174.7 0.1 . 1 . . . . . . . . 5539 1 732 . 1 1 58 58 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5539 1 733 . 1 1 58 58 GLY N N 15 111.1 0.1 . 1 . . . . . . . . 5539 1 734 . 1 1 59 59 SER H H 1 8.27 0.01 . 1 . . . . . . . . 5539 1 735 . 1 1 59 59 SER HA H 1 4.40 0.01 . 1 . . . . . . . . 5539 1 736 . 1 1 59 59 SER HB2 H 1 3.87 0.01 . 1 . . . . . . . . 5539 1 737 . 1 1 59 59 SER HB3 H 1 3.87 0.01 . 1 . . . . . . . . 5539 1 738 . 1 1 59 59 SER C C 13 175.2 0.1 . 1 . . . . . . . . 5539 1 739 . 1 1 59 59 SER CA C 13 59.2 0.1 . 1 . . . . . . . . 5539 1 740 . 1 1 59 59 SER CB C 13 63.8 0.1 . 1 . . . . . . . . 5539 1 741 . 1 1 59 59 SER N N 15 116.0 0.1 . 1 . . . . . . . . 5539 1 742 . 1 1 60 60 LEU H H 1 8.22 0.01 . 1 . . . . . . . . 5539 1 743 . 1 1 60 60 LEU HA H 1 4.30 0.01 . 1 . . . . . . . . 5539 1 744 . 1 1 60 60 LEU HB2 H 1 1.64 0.01 . 1 . . . . . . . . 5539 1 745 . 1 1 60 60 LEU HB3 H 1 1.64 0.01 . 1 . . . . . . . . 5539 1 746 . 1 1 60 60 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 5539 1 747 . 1 1 60 60 LEU HD11 H 1 0.93 0.01 . 2 . . . . . . . . 5539 1 748 . 1 1 60 60 LEU HD12 H 1 0.93 0.01 . 2 . . . . . . . . 5539 1 749 . 1 1 60 60 LEU HD13 H 1 0.93 0.01 . 2 . . . . . . . . 5539 1 750 . 1 1 60 60 LEU HD21 H 1 0.88 0.01 . 2 . . . . . . . . 5539 1 751 . 1 1 60 60 LEU HD22 H 1 0.88 0.01 . 2 . . . . . . . . 5539 1 752 . 1 1 60 60 LEU HD23 H 1 0.88 0.01 . 2 . . . . . . . . 5539 1 753 . 1 1 60 60 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 5539 1 754 . 1 1 60 60 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 5539 1 755 . 1 1 60 60 LEU CB C 13 42.0 0.1 . 1 . . . . . . . . 5539 1 756 . 1 1 60 60 LEU CG C 13 27.1 0.1 . 1 . . . . . . . . 5539 1 757 . 1 1 60 60 LEU CD1 C 13 24.6 0.1 . 2 . . . . . . . . 5539 1 758 . 1 1 60 60 LEU CD2 C 13 23.9 0.1 . 2 . . . . . . . . 5539 1 759 . 1 1 60 60 LEU N N 15 124.0 0.1 . 1 . . . . . . . . 5539 1 760 . 1 1 61 61 LEU H H 1 7.96 0.01 . 1 . . . . . . . . 5539 1 761 . 1 1 61 61 LEU HA H 1 4.26 0.01 . 1 . . . . . . . . 5539 1 762 . 1 1 61 61 LEU HB2 H 1 1.65 0.01 . 1 . . . . . . . . 5539 1 763 . 1 1 61 61 LEU HB3 H 1 1.65 0.01 . 1 . . . . . . . . 5539 1 764 . 1 1 61 61 LEU HG H 1 1.65 0.01 . 1 . . . . . . . . 5539 1 765 . 1 1 61 61 LEU HD11 H 1 0.91 0.01 . 2 . . . . . . . . 5539 1 766 . 1 1 61 61 LEU HD12 H 1 0.91 0.01 . 2 . . . . . . . . 5539 1 767 . 1 1 61 61 LEU HD13 H 1 0.91 0.01 . 2 . . . . . . . . 5539 1 768 . 1 1 61 61 LEU HD21 H 1 0.86 0.01 . 2 . . . . . . . . 5539 1 769 . 1 1 61 61 LEU HD22 H 1 0.86 0.01 . 2 . . . . . . . . 5539 1 770 . 1 1 61 61 LEU HD23 H 1 0.86 0.01 . 2 . . . . . . . . 5539 1 771 . 1 1 61 61 LEU C C 13 177.6 0.1 . 1 . . . . . . . . 5539 1 772 . 1 1 61 61 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 5539 1 773 . 1 1 61 61 LEU CB C 13 42.2 0.1 . 1 . . . . . . . . 5539 1 774 . 1 1 61 61 LEU CG C 13 27.2 0.1 . 1 . . . . . . . . 5539 1 775 . 1 1 61 61 LEU CD1 C 13 25.0 0.1 . 2 . . . . . . . . 5539 1 776 . 1 1 61 61 LEU CD2 C 13 23.6 0.1 . 2 . . . . . . . . 5539 1 777 . 1 1 61 61 LEU N N 15 121.2 0.1 . 1 . . . . . . . . 5539 1 778 . 1 1 62 62 LYS H H 1 8.02 0.01 . 1 . . . . . . . . 5539 1 779 . 1 1 62 62 LYS HA H 1 4.24 0.01 . 1 . . . . . . . . 5539 1 780 . 1 1 62 62 LYS HB2 H 1 1.80 0.01 . 1 . . . . . . . . 5539 1 781 . 1 1 62 62 LYS HB3 H 1 1.80 0.01 . 1 . . . . . . . . 5539 1 782 . 1 1 62 62 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 5539 1 783 . 1 1 62 62 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 5539 1 784 . 1 1 62 62 LYS HD2 H 1 1.68 0.01 . 1 . . . . . . . . 5539 1 785 . 1 1 62 62 LYS HD3 H 1 1.68 0.01 . 1 . . . . . . . . 5539 1 786 . 1 1 62 62 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5539 1 787 . 1 1 62 62 LYS HE3 H 1 3.21 0.01 . 1 . . . . . . . . 5539 1 788 . 1 1 62 62 LYS C C 13 176.7 0.1 . 1 . . . . . . . . 5539 1 789 . 1 1 62 62 LYS CA C 13 57.0 0.1 . 1 . . . . . . . . 5539 1 790 . 1 1 62 62 LYS CB C 13 33.0 0.1 . 1 . . . . . . . . 5539 1 791 . 1 1 62 62 LYS CG C 13 24.9 0.1 . 1 . . . . . . . . 5539 1 792 . 1 1 62 62 LYS CD C 13 29.3 0.1 . 1 . . . . . . . . 5539 1 793 . 1 1 62 62 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 5539 1 794 . 1 1 62 62 LYS N N 15 121.1 0.1 . 1 . . . . . . . . 5539 1 795 . 1 1 63 63 ARG H H 1 8.16 0.01 . 1 . . . . . . . . 5539 1 796 . 1 1 63 63 ARG HA H 1 4.32 0.01 . 1 . . . . . . . . 5539 1 797 . 1 1 63 63 ARG HB2 H 1 1.81 0.01 . 1 . . . . . . . . 5539 1 798 . 1 1 63 63 ARG HB3 H 1 1.81 0.01 . 1 . . . . . . . . 5539 1 799 . 1 1 63 63 ARG HG2 H 1 1.63 0.01 . 1 . . . . . . . . 5539 1 800 . 1 1 63 63 ARG HG3 H 1 1.63 0.01 . 1 . . . . . . . . 5539 1 801 . 1 1 63 63 ARG HD2 H 1 3.20 0.01 . 1 . . . . . . . . 5539 1 802 . 1 1 63 63 ARG HD3 H 1 3.20 0.01 . 1 . . . . . . . . 5539 1 803 . 1 1 63 63 ARG C C 13 176.6 0.1 . 1 . . . . . . . . 5539 1 804 . 1 1 63 63 ARG CA C 13 56.7 0.1 . 1 . . . . . . . . 5539 1 805 . 1 1 63 63 ARG CB C 13 30.7 0.1 . 1 . . . . . . . . 5539 1 806 . 1 1 63 63 ARG CG C 13 27.1 0.1 . 1 . . . . . . . . 5539 1 807 . 1 1 63 63 ARG CD C 13 43.4 0.1 . 1 . . . . . . . . 5539 1 808 . 1 1 63 63 ARG N N 15 121.4 0.1 . 1 . . . . . . . . 5539 1 809 . 1 1 64 64 ILE H H 1 8.16 0.01 . 1 . . . . . . . . 5539 1 810 . 1 1 64 64 ILE HA H 1 4.18 0.01 . 1 . . . . . . . . 5539 1 811 . 1 1 64 64 ILE HB H 1 1.86 0.01 . 1 . . . . . . . . 5539 1 812 . 1 1 64 64 ILE HG12 H 1 1.47 0.01 . 2 . . . . . . . . 5539 1 813 . 1 1 64 64 ILE HG13 H 1 1.20 0.01 . 2 . . . . . . . . 5539 1 814 . 1 1 64 64 ILE HG21 H 1 0.88 0.01 . 1 . . . . . . . . 5539 1 815 . 1 1 64 64 ILE HG22 H 1 0.88 0.01 . 1 . . . . . . . . 5539 1 816 . 1 1 64 64 ILE HG23 H 1 0.88 0.01 . 1 . . . . . . . . 5539 1 817 . 1 1 64 64 ILE HD11 H 1 0.85 0.01 . 1 . . . . . . . . 5539 1 818 . 1 1 64 64 ILE HD12 H 1 0.85 0.01 . 1 . . . . . . . . 5539 1 819 . 1 1 64 64 ILE HD13 H 1 0.85 0.01 . 1 . . . . . . . . 5539 1 820 . 1 1 64 64 ILE C C 13 176.0 0.1 . 1 . . . . . . . . 5539 1 821 . 1 1 64 64 ILE CA C 13 61.1 0.1 . 1 . . . . . . . . 5539 1 822 . 1 1 64 64 ILE CB C 13 38.6 0.1 . 1 . . . . . . . . 5539 1 823 . 1 1 64 64 ILE CG1 C 13 27.3 0.1 . 1 . . . . . . . . 5539 1 824 . 1 1 64 64 ILE CG2 C 13 17.6 0.1 . 1 . . . . . . . . 5539 1 825 . 1 1 64 64 ILE CD1 C 13 12.8 0.1 . 1 . . . . . . . . 5539 1 826 . 1 1 64 64 ILE N N 15 121.8 0.1 . 1 . . . . . . . . 5539 1 827 . 1 1 65 65 ARG H H 1 8.38 0.01 . 1 . . . . . . . . 5539 1 828 . 1 1 65 65 ARG HA H 1 4.42 0.01 . 1 . . . . . . . . 5539 1 829 . 1 1 65 65 ARG HB2 H 1 1.91 0.01 . 2 . . . . . . . . 5539 1 830 . 1 1 65 65 ARG HB3 H 1 1.75 0.01 . 2 . . . . . . . . 5539 1 831 . 1 1 65 65 ARG HG2 H 1 1.64 0.01 . 1 . . . . . . . . 5539 1 832 . 1 1 65 65 ARG HG3 H 1 1.64 0.01 . 1 . . . . . . . . 5539 1 833 . 1 1 65 65 ARG HD2 H 1 3.21 0.01 . 1 . . . . . . . . 5539 1 834 . 1 1 65 65 ARG HD3 H 1 3.21 0.01 . 1 . . . . . . . . 5539 1 835 . 1 1 65 65 ARG C C 13 174.9 0.1 . 1 . . . . . . . . 5539 1 836 . 1 1 65 65 ARG CA C 13 55.9 0.1 . 1 . . . . . . . . 5539 1 837 . 1 1 65 65 ARG CB C 13 31.1 0.1 . 1 . . . . . . . . 5539 1 838 . 1 1 65 65 ARG CG C 13 27.2 0.1 . 1 . . . . . . . . 5539 1 839 . 1 1 65 65 ARG CD C 13 43.6 0.1 . 1 . . . . . . . . 5539 1 840 . 1 1 65 65 ARG N N 15 125.6 0.1 . 1 . . . . . . . . 5539 1 841 . 1 1 66 66 ASN H H 1 8.10 0.01 . 1 . . . . . . . . 5539 1 842 . 1 1 66 66 ASN HA H 1 4.51 0.01 . 1 . . . . . . . . 5539 1 843 . 1 1 66 66 ASN HB2 H 1 2.79 0.01 . 2 . . . . . . . . 5539 1 844 . 1 1 66 66 ASN HB3 H 1 2.72 0.01 . 2 . . . . . . . . 5539 1 845 . 1 1 66 66 ASN C C 13 176.4 0.1 . 1 . . . . . . . . 5539 1 846 . 1 1 66 66 ASN CA C 13 54.8 0.1 . 1 . . . . . . . . 5539 1 847 . 1 1 66 66 ASN CB C 13 41.4 0.1 . 1 . . . . . . . . 5539 1 848 . 1 1 66 66 ASN N N 15 126.1 0.1 . 1 . . . . . . . . 5539 1 849 . 1 1 67 67 GLY H H 1 8.39 0.01 . 1 . . . . . . . . 5539 1 850 . 1 1 67 67 GLY HA2 H 1 3.95 0.01 . 1 . . . . . . . . 5539 1 851 . 1 1 67 67 GLY HA3 H 1 3.95 0.01 . 1 . . . . . . . . 5539 1 852 . 1 1 67 67 GLY C C 13 174.7 0.1 . 1 . . . . . . . . 5539 1 853 . 1 1 67 67 GLY CA C 13 45.7 0.1 . 1 . . . . . . . . 5539 1 854 . 1 1 67 67 GLY N N 15 113.9 0.1 . 1 . . . . . . . . 5539 1 855 . 1 1 68 68 LYS H H 1 8.32 0.01 . 1 . . . . . . . . 5539 1 856 . 1 1 68 68 LYS HA H 1 4.34 0.01 . 1 . . . . . . . . 5539 1 857 . 1 1 68 68 LYS HB2 H 1 1.83 0.01 . 2 . . . . . . . . 5539 1 858 . 1 1 68 68 LYS HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5539 1 859 . 1 1 68 68 LYS HG2 H 1 1.42 0.01 . 1 . . . . . . . . 5539 1 860 . 1 1 68 68 LYS HG3 H 1 1.42 0.01 . 1 . . . . . . . . 5539 1 861 . 1 1 68 68 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 5539 1 862 . 1 1 68 68 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 5539 1 863 . 1 1 68 68 LYS HE2 H 1 3.00 0.01 . 1 . . . . . . . . 5539 1 864 . 1 1 68 68 LYS HE3 H 1 3.00 0.01 . 1 . . . . . . . . 5539 1 865 . 1 1 68 68 LYS C C 13 176.9 0.1 . 1 . . . . . . . . 5539 1 866 . 1 1 68 68 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5539 1 867 . 1 1 68 68 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5539 1 868 . 1 1 68 68 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5539 1 869 . 1 1 68 68 LYS CD C 13 29.1 0.1 . 1 . . . . . . . . 5539 1 870 . 1 1 68 68 LYS CE C 13 42.0 0.1 . 1 . . . . . . . . 5539 1 871 . 1 1 68 68 LYS N N 15 120.8 0.1 . 1 . . . . . . . . 5539 1 872 . 1 1 69 69 LYS H H 1 8.34 0.01 . 1 . . . . . . . . 5539 1 873 . 1 1 69 69 LYS HA H 1 4.31 0.01 . 1 . . . . . . . . 5539 1 874 . 1 1 69 69 LYS HB2 H 1 1.83 0.01 . 2 . . . . . . . . 5539 1 875 . 1 1 69 69 LYS HB3 H 1 1.73 0.01 . 2 . . . . . . . . 5539 1 876 . 1 1 69 69 LYS HG2 H 1 1.46 0.01 . 1 . . . . . . . . 5539 1 877 . 1 1 69 69 LYS HG3 H 1 1.46 0.01 . 1 . . . . . . . . 5539 1 878 . 1 1 69 69 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 5539 1 879 . 1 1 69 69 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 5539 1 880 . 1 1 69 69 LYS HE2 H 1 3.02 0.01 . 1 . . . . . . . . 5539 1 881 . 1 1 69 69 LYS HE3 H 1 3.02 0.01 . 1 . . . . . . . . 5539 1 882 . 1 1 69 69 LYS C C 13 176.3 0.1 . 1 . . . . . . . . 5539 1 883 . 1 1 69 69 LYS CA C 13 56.3 0.1 . 1 . . . . . . . . 5539 1 884 . 1 1 69 69 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5539 1 885 . 1 1 69 69 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5539 1 886 . 1 1 69 69 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5539 1 887 . 1 1 69 69 LYS CE C 13 42.1 0.1 . 1 . . . . . . . . 5539 1 888 . 1 1 69 69 LYS N N 15 122.8 0.1 . 1 . . . . . . . . 5539 1 889 . 1 1 70 70 ALA H H 1 8.33 0.01 . 1 . . . . . . . . 5539 1 890 . 1 1 70 70 ALA HA H 1 4.33 0.01 . 1 . . . . . . . . 5539 1 891 . 1 1 70 70 ALA HB1 H 1 1.41 0.01 . 1 . . . . . . . . 5539 1 892 . 1 1 70 70 ALA HB2 H 1 1.41 0.01 . 1 . . . . . . . . 5539 1 893 . 1 1 70 70 ALA HB3 H 1 1.41 0.01 . 1 . . . . . . . . 5539 1 894 . 1 1 70 70 ALA C C 13 177.6 0.1 . 1 . . . . . . . . 5539 1 895 . 1 1 70 70 ALA CA C 13 52.5 0.1 . 1 . . . . . . . . 5539 1 896 . 1 1 70 70 ALA CB C 13 19.6 0.1 . 1 . . . . . . . . 5539 1 897 . 1 1 70 70 ALA N N 15 126.0 0.1 . 1 . . . . . . . . 5539 1 898 . 1 1 71 71 LYS H H 1 8.31 0.01 . 1 . . . . . . . . 5539 1 899 . 1 1 71 71 LYS HA H 1 4.37 0.01 . 1 . . . . . . . . 5539 1 900 . 1 1 71 71 LYS HB2 H 1 1.91 0.01 . 2 . . . . . . . . 5539 1 901 . 1 1 71 71 LYS HB3 H 1 1.79 0.01 . 2 . . . . . . . . 5539 1 902 . 1 1 71 71 LYS HG2 H 1 1.48 0.01 . 1 . . . . . . . . 5539 1 903 . 1 1 71 71 LYS HG3 H 1 1.48 0.01 . 1 . . . . . . . . 5539 1 904 . 1 1 71 71 LYS HD2 H 1 1.73 0.01 . 1 . . . . . . . . 5539 1 905 . 1 1 71 71 LYS HD3 H 1 1.73 0.01 . 1 . . . . . . . . 5539 1 906 . 1 1 71 71 LYS HE2 H 1 3.03 0.01 . 1 . . . . . . . . 5539 1 907 . 1 1 71 71 LYS HE3 H 1 3.03 0.01 . 1 . . . . . . . . 5539 1 908 . 1 1 71 71 LYS C C 13 175.8 0.1 . 1 . . . . . . . . 5539 1 909 . 1 1 71 71 LYS CA C 13 56.5 0.1 . 1 . . . . . . . . 5539 1 910 . 1 1 71 71 LYS CB C 13 33.2 0.1 . 1 . . . . . . . . 5539 1 911 . 1 1 71 71 LYS CG C 13 24.8 0.1 . 1 . . . . . . . . 5539 1 912 . 1 1 71 71 LYS CD C 13 29.2 0.1 . 1 . . . . . . . . 5539 1 913 . 1 1 71 71 LYS CE C 13 42.2 0.1 . 1 . . . . . . . . 5539 1 914 . 1 1 71 71 LYS N N 15 121.2 0.1 . 1 . . . . . . . . 5539 1 915 . 1 1 72 72 SER H H 1 7.99 0.01 . 1 . . . . . . . . 5539 1 916 . 1 1 72 72 SER HA H 1 4.33 0.01 . 1 . . . . . . . . 5539 1 917 . 1 1 72 72 SER HB2 H 1 3.91 0.01 . 1 . . . . . . . . 5539 1 918 . 1 1 72 72 SER HB3 H 1 3.91 0.01 . 1 . . . . . . . . 5539 1 919 . 1 1 72 72 SER C C 13 178.7 0.1 . 1 . . . . . . . . 5539 1 920 . 1 1 72 72 SER CA C 13 60.0 0.1 . 1 . . . . . . . . 5539 1 921 . 1 1 72 72 SER CB C 13 64.9 0.1 . 1 . . . . . . . . 5539 1 922 . 1 1 72 72 SER N N 15 122.8 0.1 . 1 . . . . . . . . 5539 1 stop_ save_