data_6359 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6359 _Entry.Title ; Assigned chemical shift for YGGX ; _Entry.Type . _Entry.Version_type original _Entry.Submission_date 2004-10-18 _Entry.Accession_date 2004-10-18 _Entry.Last_release_date 2007-01-29 _Entry.Original_release_date 2007-01-29 _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 Qiu Cui . . Sr. 6359 2 William Westler . M. . 6359 3 John Markley . L. . 6359 4 Michael Thorgersen . P. . 6359 5 Diana Downs . M. . 6359 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6359 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 550 6359 '13C chemical shifts' 352 6359 '15N chemical shifts' 99 6359 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 . . 2007-01-29 2004-10-18 original author . 6359 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6359 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16329120 _Citation.Full_citation . _Citation.Title ; Solution structure of YggX: A prokaryotic protein involved in Fe(II) trafficking. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Proteins _Citation.Journal_name_full . _Citation.Journal_volume 62 _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 578 _Citation.Page_last 586 _Citation.Year 2005 _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 Qiu Cui . . . 6359 1 2 Michael Thorgersen . P. . 6359 1 3 William Westler . M. . 6359 1 4 John Markley . L. . 6359 1 5 Diana Downs . M. . 6359 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_molecular_system_YGGX _Assembly.Sf_category assembly _Assembly.Sf_framecode molecular_system_YGGX _Assembly.Entry_ID 6359 _Assembly.ID 1 _Assembly.Name YGGX _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 'all free' _Assembly.Molecular_mass 10898 _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 6359 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 YGGX 1 $YGGX . . . native . . . . . 6359 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID YGGX system 6359 1 YGGX abbreviation 6359 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_YGGX _Entity.Sf_category entity _Entity.Sf_framecode YGGX _Entity.Entry_ID 6359 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name YGGX _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 ; MSRTIFCTYLQRDAEGQDFQ LYPGELGKRIYNEISKDAWA QWQHKQTMLINEKKLNMMNA EHRKLLEQEMVSFLFEGKDV HIEGYTPEDKK ; _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 91 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10898 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1XS8 . "Solution Structure Of Yggx Protein Of Salmonella Enterica" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 2 no DBJ BAJ38107 . "hypothetical protein STMDT12_C31640 [Salmonella enterica subsp. enterica serovar Typhimurium str. T000240]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 3 no DBJ BAP09026 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhimurium str. L-3553]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 4 no EMBL CAD02936 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 5 no EMBL CAR34531 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Enteritidis str. P125109]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 6 no EMBL CAR38810 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Gallinarum str. 287/91]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 7 no EMBL CAR61014 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. AKU_12601]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 8 no EMBL CAX67914 . "putative Fe(2+)-trafficking protein [Salmonella bongori]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 9 no GB AAL21986 . "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 10 no GB AAO70576 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 11 no GB AAV78812 . "conserved hypothetical protein [Salmonella enterica subsp. enterica serovar Paratyphi A str. ATCC 9150]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 12 no GB AAX66958 . "putative cytoplasmic protein [Salmonella enterica subsp. enterica serovar Choleraesuis str. SC-B67]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 13 no GB ABX24308 . "hypothetical protein SARI_04535 [Salmonella enterica subsp. arizonae serovar 62:z4,z23:-]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 14 no PIR AH0879 . "conserved hypothetical protein STY3266 [imported] - Salmonella enterica subsp. enterica serovar Typhi (strain CT18)" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 15 no REF NP_457504 . "oxidative damage protection protein [Salmonella enterica subsp. enterica serovar Typhi str. CT18]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 16 no REF NP_462027 . "Fe(2+)-trafficking protein [Salmonella enterica subsp. enterica serovar Typhimurium str. LT2]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 17 no REF NP_806716 . "hypothetical protein t3024 [Salmonella enterica subsp. enterica serovar Typhi str. Ty2]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 18 no REF WP_000091705 . "oxidative damage protection protein [Salmonella enterica]" . . . . . 100.00 91 98.90 98.90 1.65e-60 . . . . 6359 1 19 no REF WP_000091706 . "MULTISPECIES: oxidative damage protection protein [Salmonella]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 20 no SP A9MQR4 . "RecName: Full=Probable Fe(2+)-trafficking protein [Salmonella enterica subsp. arizonae serovar 62:z4,z23:-]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 21 no SP A9N4Q8 . "RecName: Full=Probable Fe(2+)-trafficking protein [Salmonella enterica subsp. enterica serovar Paratyphi B str. SPB7]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 22 no SP B4T5L9 . "RecName: Full=Probable Fe(2+)-trafficking protein [Salmonella enterica subsp. enterica serovar Newport str. SL254]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 23 no SP B4THJ7 . "RecName: Full=Probable Fe(2+)-trafficking protein [Salmonella enterica subsp. enterica serovar Heidelberg str. SL476]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 24 no SP B4TV80 . "RecName: Full=Probable Fe(2+)-trafficking protein [Salmonella enterica subsp. enterica serovar Schwarzengrund str. CVM19633]" . . . . . 100.00 91 100.00 100.00 4.19e-61 . . . . 6359 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Fe(II) traffick and minimize the DNA damage caused by hydroxyl radicals' 6359 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID YGGX common 6359 1 yggx variant 6359 1 yggx abbreviation 6359 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 . 6359 1 2 . SER . 6359 1 3 . ARG . 6359 1 4 . THR . 6359 1 5 . ILE . 6359 1 6 . PHE . 6359 1 7 . CYS . 6359 1 8 . THR . 6359 1 9 . TYR . 6359 1 10 . LEU . 6359 1 11 . GLN . 6359 1 12 . ARG . 6359 1 13 . ASP . 6359 1 14 . ALA . 6359 1 15 . GLU . 6359 1 16 . GLY . 6359 1 17 . GLN . 6359 1 18 . ASP . 6359 1 19 . PHE . 6359 1 20 . GLN . 6359 1 21 . LEU . 6359 1 22 . TYR . 6359 1 23 . PRO . 6359 1 24 . GLY . 6359 1 25 . GLU . 6359 1 26 . LEU . 6359 1 27 . GLY . 6359 1 28 . LYS . 6359 1 29 . ARG . 6359 1 30 . ILE . 6359 1 31 . TYR . 6359 1 32 . ASN . 6359 1 33 . GLU . 6359 1 34 . ILE . 6359 1 35 . SER . 6359 1 36 . LYS . 6359 1 37 . ASP . 6359 1 38 . ALA . 6359 1 39 . TRP . 6359 1 40 . ALA . 6359 1 41 . GLN . 6359 1 42 . TRP . 6359 1 43 . GLN . 6359 1 44 . HIS . 6359 1 45 . LYS . 6359 1 46 . GLN . 6359 1 47 . THR . 6359 1 48 . MET . 6359 1 49 . LEU . 6359 1 50 . ILE . 6359 1 51 . ASN . 6359 1 52 . GLU . 6359 1 53 . LYS . 6359 1 54 . LYS . 6359 1 55 . LEU . 6359 1 56 . ASN . 6359 1 57 . MET . 6359 1 58 . MET . 6359 1 59 . ASN . 6359 1 60 . ALA . 6359 1 61 . GLU . 6359 1 62 . HIS . 6359 1 63 . ARG . 6359 1 64 . LYS . 6359 1 65 . LEU . 6359 1 66 . LEU . 6359 1 67 . GLU . 6359 1 68 . GLN . 6359 1 69 . GLU . 6359 1 70 . MET . 6359 1 71 . VAL . 6359 1 72 . SER . 6359 1 73 . PHE . 6359 1 74 . LEU . 6359 1 75 . PHE . 6359 1 76 . GLU . 6359 1 77 . GLY . 6359 1 78 . LYS . 6359 1 79 . ASP . 6359 1 80 . VAL . 6359 1 81 . HIS . 6359 1 82 . ILE . 6359 1 83 . GLU . 6359 1 84 . GLY . 6359 1 85 . TYR . 6359 1 86 . THR . 6359 1 87 . PRO . 6359 1 88 . GLU . 6359 1 89 . ASP . 6359 1 90 . LYS . 6359 1 91 . LYS . 6359 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 6359 1 . SER 2 2 6359 1 . ARG 3 3 6359 1 . THR 4 4 6359 1 . ILE 5 5 6359 1 . PHE 6 6 6359 1 . CYS 7 7 6359 1 . THR 8 8 6359 1 . TYR 9 9 6359 1 . LEU 10 10 6359 1 . GLN 11 11 6359 1 . ARG 12 12 6359 1 . ASP 13 13 6359 1 . ALA 14 14 6359 1 . GLU 15 15 6359 1 . GLY 16 16 6359 1 . GLN 17 17 6359 1 . ASP 18 18 6359 1 . PHE 19 19 6359 1 . GLN 20 20 6359 1 . LEU 21 21 6359 1 . TYR 22 22 6359 1 . PRO 23 23 6359 1 . GLY 24 24 6359 1 . GLU 25 25 6359 1 . LEU 26 26 6359 1 . GLY 27 27 6359 1 . LYS 28 28 6359 1 . ARG 29 29 6359 1 . ILE 30 30 6359 1 . TYR 31 31 6359 1 . ASN 32 32 6359 1 . GLU 33 33 6359 1 . ILE 34 34 6359 1 . SER 35 35 6359 1 . LYS 36 36 6359 1 . ASP 37 37 6359 1 . ALA 38 38 6359 1 . TRP 39 39 6359 1 . ALA 40 40 6359 1 . GLN 41 41 6359 1 . TRP 42 42 6359 1 . GLN 43 43 6359 1 . HIS 44 44 6359 1 . LYS 45 45 6359 1 . GLN 46 46 6359 1 . THR 47 47 6359 1 . MET 48 48 6359 1 . LEU 49 49 6359 1 . ILE 50 50 6359 1 . ASN 51 51 6359 1 . GLU 52 52 6359 1 . LYS 53 53 6359 1 . LYS 54 54 6359 1 . LEU 55 55 6359 1 . ASN 56 56 6359 1 . MET 57 57 6359 1 . MET 58 58 6359 1 . ASN 59 59 6359 1 . ALA 60 60 6359 1 . GLU 61 61 6359 1 . HIS 62 62 6359 1 . ARG 63 63 6359 1 . LYS 64 64 6359 1 . LEU 65 65 6359 1 . LEU 66 66 6359 1 . GLU 67 67 6359 1 . GLN 68 68 6359 1 . GLU 69 69 6359 1 . MET 70 70 6359 1 . VAL 71 71 6359 1 . SER 72 72 6359 1 . PHE 73 73 6359 1 . LEU 74 74 6359 1 . PHE 75 75 6359 1 . GLU 76 76 6359 1 . GLY 77 77 6359 1 . LYS 78 78 6359 1 . ASP 79 79 6359 1 . VAL 80 80 6359 1 . HIS 81 81 6359 1 . ILE 82 82 6359 1 . GLU 83 83 6359 1 . GLY 84 84 6359 1 . TYR 85 85 6359 1 . THR 86 86 6359 1 . PRO 87 87 6359 1 . GLU 88 88 6359 1 . ASP 89 89 6359 1 . LYS 90 90 6359 1 . LYS 91 91 6359 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 6359 _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 $YGGX . 28901 organism . 'Salmonella enterica' 'Salmonella enterica' . . Bacteria . Salmonella enteritidis . . . . . . . . . . . . . . . . . . . . . 6359 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 6359 _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 $YGGX . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21 . . . . . . . . . . . . . . . . . . . . . . 6359 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6359 _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 YGGX '[U-13C; U-15N]' . . 1 $YGGX . . 19.3 . . mg/mL . . . . 6359 1 2 Tris [U-2H] . . . . . . 10 . . mM . . . . 6359 1 3 D2O . . . . . . . 10 . . % . . . . 6359 1 4 H2O . . . . . . . 90 . . % . . . . 6359 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions _Sample_condition_list.Entry_ID 6359 _Sample_condition_list.ID 1 _Sample_condition_list.Details ; The double labeled protein sample was 19.3 mg/mL YggX in 10 mM deuterated Tris pH7.8. 10% D2O/H2O. ; loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 7.8 0.1 pH 6359 1 temperature 283 0.1 K 6359 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_1 _NMR_spectrometer.Entry_ID 6359 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer_2 _NMR_spectrometer.Entry_ID 6359 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer VARIAN _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6359 _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 VARIAN Inova . 800 . . . 6359 1 2 NMR_spectrometer_2 VARIAN Inova . 600 . . . 6359 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 6359 _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 6359 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0 internal direct 1.0 . . . . . . . . . 6359 1 C 13 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.251449530 . . . . . . . . . 6359 1 N 15 DSS 'methyl protons' . . . . ppm 0 internal indirect 0.101329118 . . . . . . . . . 6359 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chemical_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chemical_shifts _Assigned_chem_shift_list.Entry_ID 6359 _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 _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 . 6359 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 2 2 SER C C 13 176.200 0.12 . 1 . . . . . . . . 6359 1 2 . 1 1 3 3 ARG N N 15 122.510 0.01 . 1 . . . . . . . . 6359 1 3 . 1 1 3 3 ARG CA C 13 55.236 0.24 . 1 . . . . . . . . 6359 1 4 . 1 1 3 3 ARG C C 13 175.101 0.12 . 1 . . . . . . . . 6359 1 5 . 1 1 3 3 ARG CB C 13 32.269 0.27 . 1 . . . . . . . . 6359 1 6 . 1 1 3 3 ARG CG C 13 27.432 0.28 . 1 . . . . . . . . 6359 1 7 . 1 1 3 3 ARG CD C 13 43.580 0.28 . 1 . . . . . . . . 6359 1 8 . 1 1 3 3 ARG H H 1 8.928 0.01 . 1 . . . . . . . . 6359 1 9 . 1 1 3 3 ARG HA H 1 4.673 0.02 . 1 . . . . . . . . 6359 1 10 . 1 1 3 3 ARG HB2 H 1 1.803 0.02 . 2 . . . . . . . . 6359 1 11 . 1 1 3 3 ARG HB3 H 1 1.737 0.02 . 2 . . . . . . . . 6359 1 12 . 1 1 3 3 ARG HG3 H 1 1.468 0.02 . 2 . . . . . . . . 6359 1 13 . 1 1 3 3 ARG HD2 H 1 3.241 0.02 . 2 . . . . . . . . 6359 1 14 . 1 1 3 3 ARG HE H 1 7.150 0.02 . 1 . . . . . . . . 6359 1 15 . 1 1 4 4 THR N N 15 122.917 0.01 . 1 . . . . . . . . 6359 1 16 . 1 1 4 4 THR CA C 13 62.701 0.24 . 1 . . . . . . . . 6359 1 17 . 1 1 4 4 THR C C 13 173.965 0.12 . 1 . . . . . . . . 6359 1 18 . 1 1 4 4 THR CB C 13 69.894 0.27 . 1 . . . . . . . . 6359 1 19 . 1 1 4 4 THR CG2 C 13 21.760 0.28 . 1 . . . . . . . . 6359 1 20 . 1 1 4 4 THR H H 1 8.913 0.01 . 1 . . . . . . . . 6359 1 21 . 1 1 4 4 THR HA H 1 4.772 0.02 . 1 . . . . . . . . 6359 1 22 . 1 1 4 4 THR HB H 1 3.971 0.02 . 1 . . . . . . . . 6359 1 23 . 1 1 4 4 THR HG21 H 1 1.192 0.02 . 1 . . . . . . . . 6359 1 24 . 1 1 4 4 THR HG22 H 1 1.192 0.02 . 1 . . . . . . . . 6359 1 25 . 1 1 4 4 THR HG23 H 1 1.192 0.02 . 1 . . . . . . . . 6359 1 26 . 1 1 5 5 ILE N N 15 121.161 0.01 . 1 . . . . . . . . 6359 1 27 . 1 1 5 5 ILE CA C 13 59.013 0.24 . 1 . . . . . . . . 6359 1 28 . 1 1 5 5 ILE C C 13 173.624 0.12 . 1 . . . . . . . . 6359 1 29 . 1 1 5 5 ILE CB C 13 42.609 0.27 . 1 . . . . . . . . 6359 1 30 . 1 1 5 5 ILE CG1 C 13 25.250 0.28 . 1 . . . . . . . . 6359 1 31 . 1 1 5 5 ILE CG2 C 13 18.199 0.28 . 1 . . . . . . . . 6359 1 32 . 1 1 5 5 ILE CD1 C 13 14.664 0.28 . 1 . . . . . . . . 6359 1 33 . 1 1 5 5 ILE H H 1 9.105 0.01 . 1 . . . . . . . . 6359 1 34 . 1 1 5 5 ILE HA H 1 4.798 0.02 . 1 . . . . . . . . 6359 1 35 . 1 1 5 5 ILE HB H 1 1.899 0.02 . 1 . . . . . . . . 6359 1 36 . 1 1 5 5 ILE HG12 H 1 0.712 0.02 . 2 . . . . . . . . 6359 1 37 . 1 1 5 5 ILE HG13 H 1 1.122 0.02 . 2 . . . . . . . . 6359 1 38 . 1 1 5 5 ILE HG21 H 1 0.815 0.02 . 1 . . . . . . . . 6359 1 39 . 1 1 5 5 ILE HG22 H 1 0.815 0.02 . 1 . . . . . . . . 6359 1 40 . 1 1 5 5 ILE HG23 H 1 0.815 0.02 . 1 . . . . . . . . 6359 1 41 . 1 1 5 5 ILE HD11 H 1 0.638 0.02 . 1 . . . . . . . . 6359 1 42 . 1 1 5 5 ILE HD12 H 1 0.638 0.02 . 1 . . . . . . . . 6359 1 43 . 1 1 5 5 ILE HD13 H 1 0.638 0.02 . 1 . . . . . . . . 6359 1 44 . 1 1 6 6 PHE N N 15 121.410 0.01 . 1 . . . . . . . . 6359 1 45 . 1 1 6 6 PHE CA C 13 58.572 0.24 . 1 . . . . . . . . 6359 1 46 . 1 1 6 6 PHE C C 13 173.719 0.12 . 1 . . . . . . . . 6359 1 47 . 1 1 6 6 PHE CB C 13 38.755 0.27 . 1 . . . . . . . . 6359 1 48 . 1 1 6 6 PHE H H 1 8.446 0.01 . 1 . . . . . . . . 6359 1 49 . 1 1 6 6 PHE HA H 1 4.660 0.02 . 1 . . . . . . . . 6359 1 50 . 1 1 6 6 PHE HB2 H 1 2.978 0.02 . 2 . . . . . . . . 6359 1 51 . 1 1 6 6 PHE HD1 H 1 7.197 0.02 . 3 . . . . . . . . 6359 1 52 . 1 1 6 6 PHE HE1 H 1 6.790 0.02 . 3 . . . . . . . . 6359 1 53 . 1 1 7 7 CYS N N 15 133.330 0.01 . 1 . . . . . . . . 6359 1 54 . 1 1 7 7 CYS CA C 13 59.231 0.24 . 1 . . . . . . . . 6359 1 55 . 1 1 7 7 CYS C C 13 178.095 0.12 . 1 . . . . . . . . 6359 1 56 . 1 1 7 7 CYS CB C 13 31.500 0.27 . 1 . . . . . . . . 6359 1 57 . 1 1 7 7 CYS H H 1 7.970 0.01 . 1 . . . . . . . . 6359 1 58 . 1 1 7 7 CYS HA H 1 4.686 0.02 . 1 . . . . . . . . 6359 1 59 . 1 1 7 7 CYS HB2 H 1 3.160 0.02 . 2 . . . . . . . . 6359 1 60 . 1 1 7 7 CYS HB3 H 1 2.741 0.02 . 2 . . . . . . . . 6359 1 61 . 1 1 8 8 THR N N 15 125.126 0.01 . 1 . . . . . . . . 6359 1 62 . 1 1 8 8 THR CA C 13 64.679 0.24 . 1 . . . . . . . . 6359 1 63 . 1 1 8 8 THR C C 13 175.281 0.12 . 1 . . . . . . . . 6359 1 64 . 1 1 8 8 THR CB C 13 69.439 0.27 . 1 . . . . . . . . 6359 1 65 . 1 1 8 8 THR CG2 C 13 23.030 0.28 . 1 . . . . . . . . 6359 1 66 . 1 1 8 8 THR H H 1 9.836 0.01 . 1 . . . . . . . . 6359 1 67 . 1 1 8 8 THR HA H 1 4.066 0.02 . 1 . . . . . . . . 6359 1 68 . 1 1 8 8 THR HB H 1 4.400 0.02 . 1 . . . . . . . . 6359 1 69 . 1 1 8 8 THR HG21 H 1 1.621 0.02 . 1 . . . . . . . . 6359 1 70 . 1 1 8 8 THR HG22 H 1 1.621 0.02 . 1 . . . . . . . . 6359 1 71 . 1 1 8 8 THR HG23 H 1 1.621 0.02 . 1 . . . . . . . . 6359 1 72 . 1 1 9 9 TYR N N 15 126.196 0.01 . 1 . . . . . . . . 6359 1 73 . 1 1 9 9 TYR CA C 13 61.584 0.24 . 1 . . . . . . . . 6359 1 74 . 1 1 9 9 TYR C C 13 177.744 0.12 . 1 . . . . . . . . 6359 1 75 . 1 1 9 9 TYR CB C 13 39.460 0.27 . 1 . . . . . . . . 6359 1 76 . 1 1 9 9 TYR H H 1 9.226 0.01 . 1 . . . . . . . . 6359 1 77 . 1 1 9 9 TYR HA H 1 4.400 0.02 . 1 . . . . . . . . 6359 1 78 . 1 1 9 9 TYR HB2 H 1 3.079 0.02 . 2 . . . . . . . . 6359 1 79 . 1 1 9 9 TYR HD1 H 1 7.054 0.02 . 3 . . . . . . . . 6359 1 80 . 1 1 10 10 LEU N N 15 123.461 0.01 . 1 . . . . . . . . 6359 1 81 . 1 1 10 10 LEU CA C 13 55.796 0.24 . 1 . . . . . . . . 6359 1 82 . 1 1 10 10 LEU C C 13 177.203 0.12 . 1 . . . . . . . . 6359 1 83 . 1 1 10 10 LEU CB C 13 43.055 0.27 . 1 . . . . . . . . 6359 1 84 . 1 1 10 10 LEU CG C 13 29.350 0.28 . 1 . . . . . . . . 6359 1 85 . 1 1 10 10 LEU CD1 C 13 26.630 0.28 . 1 . . . . . . . . 6359 1 86 . 1 1 10 10 LEU H H 1 10.315 0.01 . 1 . . . . . . . . 6359 1 87 . 1 1 10 10 LEU HA H 1 3.982 0.02 . 1 . . . . . . . . 6359 1 88 . 1 1 10 10 LEU HB2 H 1 1.440 0.02 . 2 . . . . . . . . 6359 1 89 . 1 1 10 10 LEU HB3 H 1 1.730 0.02 . 2 . . . . . . . . 6359 1 90 . 1 1 10 10 LEU HG H 1 1.780 0.02 . 1 . . . . . . . . 6359 1 91 . 1 1 10 10 LEU HD21 H 1 1.019 0.02 . 2 . . . . . . . . 6359 1 92 . 1 1 10 10 LEU HD22 H 1 1.019 0.02 . 2 . . . . . . . . 6359 1 93 . 1 1 10 10 LEU HD23 H 1 1.019 0.02 . 2 . . . . . . . . 6359 1 94 . 1 1 11 11 GLN N N 15 114.563 0.01 . 1 . . . . . . . . 6359 1 95 . 1 1 11 11 GLN NE2 N 15 116.450 0.01 . 1 . . . . . . . . 6359 1 96 . 1 1 11 11 GLN CA C 13 56.342 0.24 . 1 . . . . . . . . 6359 1 97 . 1 1 11 11 GLN C C 13 174.635 0.12 . 1 . . . . . . . . 6359 1 98 . 1 1 11 11 GLN CB C 13 25.205 0.27 . 1 . . . . . . . . 6359 1 99 . 1 1 11 11 GLN CG C 13 33.835 0.28 . 1 . . . . . . . . 6359 1 100 . 1 1 11 11 GLN H H 1 8.534 0.01 . 1 . . . . . . . . 6359 1 101 . 1 1 11 11 GLN HA H 1 3.381 0.02 . 1 . . . . . . . . 6359 1 102 . 1 1 11 11 GLN HB2 H 1 2.406 0.02 . 2 . . . . . . . . 6359 1 103 . 1 1 11 11 GLN HB3 H 1 2.226 0.02 . 2 . . . . . . . . 6359 1 104 . 1 1 11 11 GLN HG2 H 1 2.145 0.02 . 2 . . . . . . . . 6359 1 105 . 1 1 11 11 GLN HG3 H 1 2.276 0.02 . 2 . . . . . . . . 6359 1 106 . 1 1 11 11 GLN HE21 H 1 8.429 0.02 . 1 . . . . . . . . 6359 1 107 . 1 1 11 11 GLN HE22 H 1 7.438 0.02 . 1 . . . . . . . . 6359 1 108 . 1 1 12 12 ARG N N 15 111.545 0.01 . 1 . . . . . . . . 6359 1 109 . 1 1 12 12 ARG CA C 13 54.560 0.24 . 1 . . . . . . . . 6359 1 110 . 1 1 12 12 ARG C C 13 174.040 0.12 . 1 . . . . . . . . 6359 1 111 . 1 1 12 12 ARG CB C 13 32.160 0.27 . 1 . . . . . . . . 6359 1 112 . 1 1 12 12 ARG CG C 13 26.000 0.28 . 1 . . . . . . . . 6359 1 113 . 1 1 12 12 ARG CD C 13 43.800 0.28 . 1 . . . . . . . . 6359 1 114 . 1 1 12 12 ARG H H 1 6.781 0.01 . 1 . . . . . . . . 6359 1 115 . 1 1 12 12 ARG HA H 1 4.514 0.02 . 1 . . . . . . . . 6359 1 116 . 1 1 12 12 ARG HB2 H 1 2.116 0.02 . 2 . . . . . . . . 6359 1 117 . 1 1 12 12 ARG HB3 H 1 1.724 0.02 . 2 . . . . . . . . 6359 1 118 . 1 1 12 12 ARG HG2 H 1 1.286 0.02 . 2 . . . . . . . . 6359 1 119 . 1 1 12 12 ARG HG3 H 1 1.380 0.02 . 2 . . . . . . . . 6359 1 120 . 1 1 12 12 ARG HD2 H 1 3.215 0.02 . 2 . . . . . . . . 6359 1 121 . 1 1 12 12 ARG HE H 1 7.447 0.02 . 1 . . . . . . . . 6359 1 122 . 1 1 13 13 ASP N N 15 121.330 0.01 . 1 . . . . . . . . 6359 1 123 . 1 1 13 13 ASP CA C 13 54.644 0.24 . 1 . . . . . . . . 6359 1 124 . 1 1 13 13 ASP C C 13 177.218 0.12 . 1 . . . . . . . . 6359 1 125 . 1 1 13 13 ASP CB C 13 40.669 0.27 . 1 . . . . . . . . 6359 1 126 . 1 1 13 13 ASP H H 1 8.561 0.01 . 1 . . . . . . . . 6359 1 127 . 1 1 13 13 ASP HA H 1 5.610 0.02 . 1 . . . . . . . . 6359 1 128 . 1 1 13 13 ASP HB2 H 1 2.406 0.02 . 2 . . . . . . . . 6359 1 129 . 1 1 13 13 ASP HB3 H 1 2.573 0.02 . 2 . . . . . . . . 6359 1 130 . 1 1 14 14 ALA N N 15 126.144 0.01 . 1 . . . . . . . . 6359 1 131 . 1 1 14 14 ALA CA C 13 51.810 0.24 . 1 . . . . . . . . 6359 1 132 . 1 1 14 14 ALA C C 13 175.178 0.12 . 1 . . . . . . . . 6359 1 133 . 1 1 14 14 ALA CB C 13 24.063 0.27 . 1 . . . . . . . . 6359 1 134 . 1 1 14 14 ALA H H 1 9.785 0.01 . 1 . . . . . . . . 6359 1 135 . 1 1 14 14 ALA HA H 1 4.688 0.02 . 1 . . . . . . . . 6359 1 136 . 1 1 14 14 ALA HB1 H 1 1.521 0.02 . 1 . . . . . . . . 6359 1 137 . 1 1 14 14 ALA HB2 H 1 1.521 0.02 . 1 . . . . . . . . 6359 1 138 . 1 1 14 14 ALA HB3 H 1 1.521 0.02 . 1 . . . . . . . . 6359 1 139 . 1 1 15 15 GLU N N 15 119.316 0.01 . 1 . . . . . . . . 6359 1 140 . 1 1 15 15 GLU CA C 13 57.619 0.24 . 1 . . . . . . . . 6359 1 141 . 1 1 15 15 GLU C C 13 178.272 0.12 . 1 . . . . . . . . 6359 1 142 . 1 1 15 15 GLU CB C 13 30.647 0.27 . 1 . . . . . . . . 6359 1 143 . 1 1 15 15 GLU CG C 13 36.902 0.28 . 1 . . . . . . . . 6359 1 144 . 1 1 15 15 GLU H H 1 8.529 0.01 . 1 . . . . . . . . 6359 1 145 . 1 1 15 15 GLU HA H 1 4.636 0.02 . 1 . . . . . . . . 6359 1 146 . 1 1 15 15 GLU HB2 H 1 2.079 0.02 . 2 . . . . . . . . 6359 1 147 . 1 1 15 15 GLU HB3 H 1 2.126 0.02 . 2 . . . . . . . . 6359 1 148 . 1 1 15 15 GLU HG2 H 1 2.579 0.02 . 2 . . . . . . . . 6359 1 149 . 1 1 16 16 GLY N N 15 113.629 0.01 . 1 . . . . . . . . 6359 1 150 . 1 1 16 16 GLY CA C 13 44.967 0.24 . 1 . . . . . . . . 6359 1 151 . 1 1 16 16 GLY C C 13 172.905 0.12 . 1 . . . . . . . . 6359 1 152 . 1 1 16 16 GLY H H 1 9.326 0.01 . 1 . . . . . . . . 6359 1 153 . 1 1 16 16 GLY HA2 H 1 4.167 0.02 . 2 . . . . . . . . 6359 1 154 . 1 1 16 16 GLY HA3 H 1 3.370 0.02 . 2 . . . . . . . . 6359 1 155 . 1 1 17 17 GLN N N 15 119.292 0.01 . 1 . . . . . . . . 6359 1 156 . 1 1 17 17 GLN NE2 N 15 109.210 0.01 . 1 . . . . . . . . 6359 1 157 . 1 1 17 17 GLN CA C 13 56.970 0.24 . 1 . . . . . . . . 6359 1 158 . 1 1 17 17 GLN C C 13 176.521 0.12 . 1 . . . . . . . . 6359 1 159 . 1 1 17 17 GLN CB C 13 30.662 0.27 . 1 . . . . . . . . 6359 1 160 . 1 1 17 17 GLN CG C 13 34.428 0.28 . 1 . . . . . . . . 6359 1 161 . 1 1 17 17 GLN H H 1 9.975 0.01 . 1 . . . . . . . . 6359 1 162 . 1 1 17 17 GLN HA H 1 4.094 0.02 . 1 . . . . . . . . 6359 1 163 . 1 1 17 17 GLN HB2 H 1 2.328 0.02 . 2 . . . . . . . . 6359 1 164 . 1 1 17 17 GLN HB3 H 1 1.867 0.02 . 2 . . . . . . . . 6359 1 165 . 1 1 17 17 GLN HG2 H 1 2.229 0.02 . 2 . . . . . . . . 6359 1 166 . 1 1 17 17 GLN HG3 H 1 2.615 0.02 . 2 . . . . . . . . 6359 1 167 . 1 1 17 17 GLN HE21 H 1 7.320 0.02 . 1 . . . . . . . . 6359 1 168 . 1 1 17 17 GLN HE22 H 1 4.690 0.02 . 1 . . . . . . . . 6359 1 169 . 1 1 18 18 ASP N N 15 119.536 0.01 . 1 . . . . . . . . 6359 1 170 . 1 1 18 18 ASP CA C 13 56.970 0.24 . 1 . . . . . . . . 6359 1 171 . 1 1 18 18 ASP C C 13 175.966 0.12 . 1 . . . . . . . . 6359 1 172 . 1 1 18 18 ASP CB C 13 42.078 0.27 . 1 . . . . . . . . 6359 1 173 . 1 1 18 18 ASP H H 1 8.997 0.01 . 1 . . . . . . . . 6359 1 174 . 1 1 18 18 ASP HA H 1 4.556 0.02 . 1 . . . . . . . . 6359 1 175 . 1 1 18 18 ASP HB2 H 1 2.410 0.02 . 2 . . . . . . . . 6359 1 176 . 1 1 18 18 ASP HB3 H 1 2.501 0.02 . 2 . . . . . . . . 6359 1 177 . 1 1 19 19 PHE N N 15 114.451 0.01 . 1 . . . . . . . . 6359 1 178 . 1 1 19 19 PHE CA C 13 55.808 0.24 . 1 . . . . . . . . 6359 1 179 . 1 1 19 19 PHE CB C 13 42.202 0.27 . 1 . . . . . . . . 6359 1 180 . 1 1 19 19 PHE H H 1 7.765 0.01 . 1 . . . . . . . . 6359 1 181 . 1 1 19 19 PHE HA H 1 4.810 0.02 . 1 . . . . . . . . 6359 1 182 . 1 1 19 19 PHE HB2 H 1 3.204 0.02 . 2 . . . . . . . . 6359 1 183 . 1 1 19 19 PHE HB3 H 1 2.759 0.02 . 2 . . . . . . . . 6359 1 184 . 1 1 19 19 PHE HD1 H 1 7.205 0.02 . 3 . . . . . . . . 6359 1 185 . 1 1 19 19 PHE HE1 H 1 6.850 0.02 . 3 . . . . . . . . 6359 1 186 . 1 1 20 20 GLN N N 15 118.780 0.01 . 1 . . . . . . . . 6359 1 187 . 1 1 20 20 GLN NE2 N 15 111.040 0.01 . 1 . . . . . . . . 6359 1 188 . 1 1 20 20 GLN CA C 13 56.116 0.24 . 1 . . . . . . . . 6359 1 189 . 1 1 20 20 GLN C C 13 174.708 0.12 . 1 . . . . . . . . 6359 1 190 . 1 1 20 20 GLN CB C 13 27.152 0.27 . 1 . . . . . . . . 6359 1 191 . 1 1 20 20 GLN CG C 13 33.200 0.28 . 1 . . . . . . . . 6359 1 192 . 1 1 20 20 GLN H H 1 8.010 0.01 . 1 . . . . . . . . 6359 1 193 . 1 1 20 20 GLN HA H 1 4.061 0.02 . 1 . . . . . . . . 6359 1 194 . 1 1 20 20 GLN HB2 H 1 1.380 0.02 . 2 . . . . . . . . 6359 1 195 . 1 1 20 20 GLN HB3 H 1 1.744 0.02 . 2 . . . . . . . . 6359 1 196 . 1 1 20 20 GLN HG2 H 1 2.211 0.02 . 2 . . . . . . . . 6359 1 197 . 1 1 20 20 GLN HG3 H 1 2.311 0.02 . 2 . . . . . . . . 6359 1 198 . 1 1 20 20 GLN HE21 H 1 7.971 0.02 . 1 . . . . . . . . 6359 1 199 . 1 1 20 20 GLN HE22 H 1 6.640 0.02 . 1 . . . . . . . . 6359 1 200 . 1 1 21 21 LEU N N 15 127.810 0.01 . 1 . . . . . . . . 6359 1 201 . 1 1 21 21 LEU CA C 13 55.917 0.24 . 1 . . . . . . . . 6359 1 202 . 1 1 21 21 LEU C C 13 175.807 0.12 . 1 . . . . . . . . 6359 1 203 . 1 1 21 21 LEU CB C 13 43.368 0.27 . 1 . . . . . . . . 6359 1 204 . 1 1 21 21 LEU CG C 13 27.000 0.28 . 1 . . . . . . . . 6359 1 205 . 1 1 21 21 LEU CD1 C 13 25.000 0.28 . 1 . . . . . . . . 6359 1 206 . 1 1 21 21 LEU H H 1 7.989 0.01 . 1 . . . . . . . . 6359 1 207 . 1 1 21 21 LEU HA H 1 4.320 0.02 . 1 . . . . . . . . 6359 1 208 . 1 1 21 21 LEU HB2 H 1 1.445 0.02 . 2 . . . . . . . . 6359 1 209 . 1 1 21 21 LEU HG H 1 1.519 0.02 . 1 . . . . . . . . 6359 1 210 . 1 1 21 21 LEU HD21 H 1 0.828 0.02 . 2 . . . . . . . . 6359 1 211 . 1 1 21 21 LEU HD22 H 1 0.828 0.02 . 2 . . . . . . . . 6359 1 212 . 1 1 21 21 LEU HD23 H 1 0.828 0.02 . 2 . . . . . . . . 6359 1 213 . 1 1 22 22 TYR N N 15 122.433 0.01 . 1 . . . . . . . . 6359 1 214 . 1 1 22 22 TYR CA C 13 56.040 0.24 . 1 . . . . . . . . 6359 1 215 . 1 1 22 22 TYR CB C 13 42.000 0.27 . 1 . . . . . . . . 6359 1 216 . 1 1 22 22 TYR H H 1 8.260 0.01 . 1 . . . . . . . . 6359 1 217 . 1 1 22 22 TYR HA H 1 4.716 0.02 . 1 . . . . . . . . 6359 1 218 . 1 1 22 22 TYR HB2 H 1 3.076 0.02 . 2 . . . . . . . . 6359 1 219 . 1 1 22 22 TYR HB3 H 1 3.148 0.02 . 2 . . . . . . . . 6359 1 220 . 1 1 22 22 TYR HD1 H 1 7.323 0.02 . 3 . . . . . . . . 6359 1 221 . 1 1 22 22 TYR HE1 H 1 7.067 0.02 . 3 . . . . . . . . 6359 1 222 . 1 1 23 23 PRO CA C 13 63.073 0.24 . 1 . . . . . . . . 6359 1 223 . 1 1 23 23 PRO C C 13 178.574 0.12 . 1 . . . . . . . . 6359 1 224 . 1 1 23 23 PRO CB C 13 33.328 0.27 . 1 . . . . . . . . 6359 1 225 . 1 1 23 23 PRO CG C 13 27.100 0.28 . 1 . . . . . . . . 6359 1 226 . 1 1 23 23 PRO CD C 13 50.500 0.28 . 1 . . . . . . . . 6359 1 227 . 1 1 23 23 PRO HA H 1 4.555 0.02 . 1 . . . . . . . . 6359 1 228 . 1 1 23 23 PRO HB2 H 1 2.269 0.02 . 2 . . . . . . . . 6359 1 229 . 1 1 23 23 PRO HB3 H 1 1.943 0.02 . 2 . . . . . . . . 6359 1 230 . 1 1 23 23 PRO HG2 H 1 1.800 0.02 . 2 . . . . . . . . 6359 1 231 . 1 1 23 23 PRO HG3 H 1 1.898 0.02 . 2 . . . . . . . . 6359 1 232 . 1 1 23 23 PRO HD2 H 1 2.720 0.02 . 2 . . . . . . . . 6359 1 233 . 1 1 23 23 PRO HD3 H 1 3.530 0.02 . 2 . . . . . . . . 6359 1 234 . 1 1 24 24 GLY N N 15 106.322 0.01 . 1 . . . . . . . . 6359 1 235 . 1 1 24 24 GLY CA C 13 45.275 0.24 . 1 . . . . . . . . 6359 1 236 . 1 1 24 24 GLY C C 13 174.452 0.12 . 1 . . . . . . . . 6359 1 237 . 1 1 24 24 GLY H H 1 8.590 0.01 . 1 . . . . . . . . 6359 1 238 . 1 1 24 24 GLY HA2 H 1 3.999 0.02 . 2 . . . . . . . . 6359 1 239 . 1 1 24 24 GLY HA3 H 1 4.201 0.02 . 2 . . . . . . . . 6359 1 240 . 1 1 25 25 GLU N N 15 120.939 0.01 . 1 . . . . . . . . 6359 1 241 . 1 1 25 25 GLU CA C 13 59.430 0.24 . 1 . . . . . . . . 6359 1 242 . 1 1 25 25 GLU C C 13 180.179 0.12 . 1 . . . . . . . . 6359 1 243 . 1 1 25 25 GLU CB C 13 29.419 0.27 . 1 . . . . . . . . 6359 1 244 . 1 1 25 25 GLU CG C 13 36.362 0.28 . 1 . . . . . . . . 6359 1 245 . 1 1 25 25 GLU H H 1 8.840 0.01 . 1 . . . . . . . . 6359 1 246 . 1 1 25 25 GLU HA H 1 4.036 0.02 . 1 . . . . . . . . 6359 1 247 . 1 1 25 25 GLU HB2 H 1 2.075 0.02 . 2 . . . . . . . . 6359 1 248 . 1 1 25 25 GLU HB3 H 1 2.105 0.02 . 2 . . . . . . . . 6359 1 249 . 1 1 25 25 GLU HG3 H 1 2.392 0.02 . 2 . . . . . . . . 6359 1 250 . 1 1 26 26 LEU N N 15 122.155 0.01 . 1 . . . . . . . . 6359 1 251 . 1 1 26 26 LEU CA C 13 57.586 0.24 . 1 . . . . . . . . 6359 1 252 . 1 1 26 26 LEU C C 13 178.689 0.12 . 1 . . . . . . . . 6359 1 253 . 1 1 26 26 LEU CB C 13 41.148 0.27 . 1 . . . . . . . . 6359 1 254 . 1 1 26 26 LEU CG C 13 27.000 0.28 . 1 . . . . . . . . 6359 1 255 . 1 1 26 26 LEU CD1 C 13 23.016 0.28 . 1 . . . . . . . . 6359 1 256 . 1 1 26 26 LEU H H 1 9.094 0.01 . 1 . . . . . . . . 6359 1 257 . 1 1 26 26 LEU HA H 1 4.280 0.02 . 1 . . . . . . . . 6359 1 258 . 1 1 26 26 LEU HB2 H 1 1.765 0.02 . 2 . . . . . . . . 6359 1 259 . 1 1 26 26 LEU HG H 1 1.514 0.02 . 1 . . . . . . . . 6359 1 260 . 1 1 26 26 LEU HD21 H 1 0.925 0.02 . 2 . . . . . . . . 6359 1 261 . 1 1 26 26 LEU HD22 H 1 0.925 0.02 . 2 . . . . . . . . 6359 1 262 . 1 1 26 26 LEU HD23 H 1 0.925 0.02 . 2 . . . . . . . . 6359 1 263 . 1 1 27 27 GLY N N 15 104.995 0.01 . 1 . . . . . . . . 6359 1 264 . 1 1 27 27 GLY CA C 13 47.598 0.24 . 1 . . . . . . . . 6359 1 265 . 1 1 27 27 GLY C C 13 178.001 0.12 . 1 . . . . . . . . 6359 1 266 . 1 1 27 27 GLY H H 1 7.451 0.01 . 1 . . . . . . . . 6359 1 267 . 1 1 27 27 GLY HA2 H 1 4.547 0.02 . 2 . . . . . . . . 6359 1 268 . 1 1 27 27 GLY HA3 H 1 3.869 0.02 . 2 . . . . . . . . 6359 1 269 . 1 1 28 28 LYS N N 15 125.591 0.01 . 1 . . . . . . . . 6359 1 270 . 1 1 28 28 LYS CA C 13 59.849 0.24 . 1 . . . . . . . . 6359 1 271 . 1 1 28 28 LYS C C 13 177.644 0.12 . 1 . . . . . . . . 6359 1 272 . 1 1 28 28 LYS CB C 13 32.420 0.27 . 1 . . . . . . . . 6359 1 273 . 1 1 28 28 LYS CG C 13 24.661 0.28 . 1 . . . . . . . . 6359 1 274 . 1 1 28 28 LYS CD C 13 29.200 0.28 . 1 . . . . . . . . 6359 1 275 . 1 1 28 28 LYS CE C 13 41.100 0.28 . 1 . . . . . . . . 6359 1 276 . 1 1 28 28 LYS H H 1 8.265 0.01 . 1 . . . . . . . . 6359 1 277 . 1 1 28 28 LYS HA H 1 4.014 0.02 . 1 . . . . . . . . 6359 1 278 . 1 1 28 28 LYS HB2 H 1 1.966 0.02 . 2 . . . . . . . . 6359 1 279 . 1 1 28 28 LYS HB3 H 1 2.043 0.02 . 2 . . . . . . . . 6359 1 280 . 1 1 28 28 LYS HG3 H 1 1.485 0.02 . 2 . . . . . . . . 6359 1 281 . 1 1 28 28 LYS HD3 H 1 1.780 0.02 . 2 . . . . . . . . 6359 1 282 . 1 1 28 28 LYS HE2 H 1 3.030 0.02 . 2 . . . . . . . . 6359 1 283 . 1 1 29 29 ARG N N 15 120.804 0.01 . 1 . . . . . . . . 6359 1 284 . 1 1 29 29 ARG CA C 13 60.246 0.24 . 1 . . . . . . . . 6359 1 285 . 1 1 29 29 ARG C C 13 179.160 0.12 . 1 . . . . . . . . 6359 1 286 . 1 1 29 29 ARG CB C 13 30.148 0.27 . 1 . . . . . . . . 6359 1 287 . 1 1 29 29 ARG CG C 13 27.000 0.28 . 1 . . . . . . . . 6359 1 288 . 1 1 29 29 ARG CD C 13 43.700 0.28 . 1 . . . . . . . . 6359 1 289 . 1 1 29 29 ARG H H 1 8.050 0.01 . 1 . . . . . . . . 6359 1 290 . 1 1 29 29 ARG HA H 1 4.240 0.02 . 1 . . . . . . . . 6359 1 291 . 1 1 29 29 ARG HB2 H 1 1.990 0.02 . 2 . . . . . . . . 6359 1 292 . 1 1 29 29 ARG HG2 H 1 1.819 0.02 . 2 . . . . . . . . 6359 1 293 . 1 1 29 29 ARG HG3 H 1 1.504 0.02 . 2 . . . . . . . . 6359 1 294 . 1 1 29 29 ARG HD2 H 1 2.870 0.02 . 2 . . . . . . . . 6359 1 295 . 1 1 29 29 ARG HD3 H 1 2.230 0.02 . 2 . . . . . . . . 6359 1 296 . 1 1 29 29 ARG HE H 1 7.150 0.02 . 1 . . . . . . . . 6359 1 297 . 1 1 30 30 ILE N N 15 118.729 0.01 . 1 . . . . . . . . 6359 1 298 . 1 1 30 30 ILE CA C 13 66.061 0.24 . 1 . . . . . . . . 6359 1 299 . 1 1 30 30 ILE C C 13 176.846 0.12 . 1 . . . . . . . . 6359 1 300 . 1 1 30 30 ILE CB C 13 44.358 0.27 . 1 . . . . . . . . 6359 1 301 . 1 1 30 30 ILE CG2 C 13 18.412 0.28 . 1 . . . . . . . . 6359 1 302 . 1 1 30 30 ILE CD1 C 13 14.400 0.28 . 1 . . . . . . . . 6359 1 303 . 1 1 30 30 ILE H H 1 8.532 0.01 . 1 . . . . . . . . 6359 1 304 . 1 1 30 30 ILE HA H 1 3.790 0.02 . 1 . . . . . . . . 6359 1 305 . 1 1 30 30 ILE HB H 1 2.030 0.02 . 1 . . . . . . . . 6359 1 306 . 1 1 30 30 ILE HG21 H 1 0.722 0.02 . 1 . . . . . . . . 6359 1 307 . 1 1 30 30 ILE HG22 H 1 0.722 0.02 . 1 . . . . . . . . 6359 1 308 . 1 1 30 30 ILE HG23 H 1 0.722 0.02 . 1 . . . . . . . . 6359 1 309 . 1 1 30 30 ILE HD11 H 1 0.880 0.02 . 1 . . . . . . . . 6359 1 310 . 1 1 30 30 ILE HD12 H 1 0.880 0.02 . 1 . . . . . . . . 6359 1 311 . 1 1 30 30 ILE HD13 H 1 0.880 0.02 . 1 . . . . . . . . 6359 1 312 . 1 1 31 31 TYR N N 15 118.579 0.01 . 1 . . . . . . . . 6359 1 313 . 1 1 31 31 TYR CA C 13 61.220 0.24 . 1 . . . . . . . . 6359 1 314 . 1 1 31 31 TYR C C 13 178.732 0.12 . 1 . . . . . . . . 6359 1 315 . 1 1 31 31 TYR CB C 13 38.988 0.27 . 1 . . . . . . . . 6359 1 316 . 1 1 31 31 TYR H H 1 8.116 0.01 . 1 . . . . . . . . 6359 1 317 . 1 1 31 31 TYR HA H 1 4.147 0.02 . 1 . . . . . . . . 6359 1 318 . 1 1 31 31 TYR HB2 H 1 2.970 0.02 . 2 . . . . . . . . 6359 1 319 . 1 1 31 31 TYR HB3 H 1 3.223 0.02 . 2 . . . . . . . . 6359 1 320 . 1 1 31 31 TYR HD1 H 1 6.861 0.02 . 3 . . . . . . . . 6359 1 321 . 1 1 31 31 TYR HE1 H 1 7.016 0.02 . 3 . . . . . . . . 6359 1 322 . 1 1 32 32 ASN N N 15 117.815 0.01 . 1 . . . . . . . . 6359 1 323 . 1 1 32 32 ASN ND2 N 15 111.571 0.01 . 1 . . . . . . . . 6359 1 324 . 1 1 32 32 ASN CA C 13 55.266 0.24 . 1 . . . . . . . . 6359 1 325 . 1 1 32 32 ASN C C 13 177.120 0.12 . 1 . . . . . . . . 6359 1 326 . 1 1 32 32 ASN CB C 13 39.642 0.27 . 1 . . . . . . . . 6359 1 327 . 1 1 32 32 ASN H H 1 8.688 0.01 . 1 . . . . . . . . 6359 1 328 . 1 1 32 32 ASN HA H 1 4.624 0.02 . 1 . . . . . . . . 6359 1 329 . 1 1 32 32 ASN HB2 H 1 2.983 0.02 . 2 . . . . . . . . 6359 1 330 . 1 1 32 32 ASN HB3 H 1 3.231 0.02 . 2 . . . . . . . . 6359 1 331 . 1 1 32 32 ASN HD21 H 1 7.722 0.02 . 1 . . . . . . . . 6359 1 332 . 1 1 32 32 ASN HD22 H 1 7.045 0.02 . 1 . . . . . . . . 6359 1 333 . 1 1 33 33 GLU N N 15 115.070 0.01 . 1 . . . . . . . . 6359 1 334 . 1 1 33 33 GLU CA C 13 58.161 0.24 . 1 . . . . . . . . 6359 1 335 . 1 1 33 33 GLU C C 13 174.109 0.12 . 1 . . . . . . . . 6359 1 336 . 1 1 33 33 GLU CB C 13 33.500 0.27 . 1 . . . . . . . . 6359 1 337 . 1 1 33 33 GLU CG C 13 37.000 0.28 . 1 . . . . . . . . 6359 1 338 . 1 1 33 33 GLU H H 1 8.383 0.01 . 1 . . . . . . . . 6359 1 339 . 1 1 33 33 GLU HA H 1 4.913 0.02 . 1 . . . . . . . . 6359 1 340 . 1 1 33 33 GLU HB2 H 1 2.400 0.02 . 2 . . . . . . . . 6359 1 341 . 1 1 33 33 GLU HB3 H 1 2.835 0.02 . 2 . . . . . . . . 6359 1 342 . 1 1 33 33 GLU HG2 H 1 2.556 0.02 . 2 . . . . . . . . 6359 1 343 . 1 1 34 34 ILE N N 15 118.115 0.01 . 1 . . . . . . . . 6359 1 344 . 1 1 34 34 ILE CA C 13 56.700 0.24 . 1 . . . . . . . . 6359 1 345 . 1 1 34 34 ILE C C 13 177.045 0.12 . 1 . . . . . . . . 6359 1 346 . 1 1 34 34 ILE CB C 13 35.660 0.27 . 1 . . . . . . . . 6359 1 347 . 1 1 34 34 ILE CG1 C 13 27.000 0.28 . 1 . . . . . . . . 6359 1 348 . 1 1 34 34 ILE CG2 C 13 18.318 0.28 . 1 . . . . . . . . 6359 1 349 . 1 1 34 34 ILE CD1 C 13 10.000 0.28 . 1 . . . . . . . . 6359 1 350 . 1 1 34 34 ILE H H 1 8.341 0.01 . 1 . . . . . . . . 6359 1 351 . 1 1 34 34 ILE HA H 1 5.489 0.02 . 1 . . . . . . . . 6359 1 352 . 1 1 34 34 ILE HB H 1 2.782 0.02 . 1 . . . . . . . . 6359 1 353 . 1 1 34 34 ILE HG12 H 1 1.837 0.02 . 2 . . . . . . . . 6359 1 354 . 1 1 34 34 ILE HG13 H 1 1.152 0.02 . 2 . . . . . . . . 6359 1 355 . 1 1 34 34 ILE HG21 H 1 1.251 0.02 . 1 . . . . . . . . 6359 1 356 . 1 1 34 34 ILE HG22 H 1 1.251 0.02 . 1 . . . . . . . . 6359 1 357 . 1 1 34 34 ILE HG23 H 1 1.251 0.02 . 1 . . . . . . . . 6359 1 358 . 1 1 34 34 ILE HD11 H 1 0.680 0.02 . 1 . . . . . . . . 6359 1 359 . 1 1 34 34 ILE HD12 H 1 0.680 0.02 . 1 . . . . . . . . 6359 1 360 . 1 1 34 34 ILE HD13 H 1 0.680 0.02 . 1 . . . . . . . . 6359 1 361 . 1 1 35 35 SER N N 15 132.660 0.01 . 1 . . . . . . . . 6359 1 362 . 1 1 35 35 SER CA C 13 59.478 0.24 . 1 . . . . . . . . 6359 1 363 . 1 1 35 35 SER C C 13 174.643 0.12 . 1 . . . . . . . . 6359 1 364 . 1 1 35 35 SER CB C 13 66.818 0.27 . 1 . . . . . . . . 6359 1 365 . 1 1 35 35 SER H H 1 10.930 0.01 . 1 . . . . . . . . 6359 1 366 . 1 1 35 35 SER HA H 1 4.680 0.02 . 1 . . . . . . . . 6359 1 367 . 1 1 35 35 SER HB2 H 1 4.059 0.02 . 2 . . . . . . . . 6359 1 368 . 1 1 35 35 SER HB3 H 1 4.621 0.02 . 2 . . . . . . . . 6359 1 369 . 1 1 36 36 LYS N N 15 118.217 0.01 . 1 . . . . . . . . 6359 1 370 . 1 1 36 36 LYS CA C 13 61.364 0.24 . 1 . . . . . . . . 6359 1 371 . 1 1 36 36 LYS C C 13 180.152 0.12 . 1 . . . . . . . . 6359 1 372 . 1 1 36 36 LYS CB C 13 33.417 0.27 . 1 . . . . . . . . 6359 1 373 . 1 1 36 36 LYS CG C 13 21.000 0.28 . 1 . . . . . . . . 6359 1 374 . 1 1 36 36 LYS CD C 13 26.826 0.28 . 1 . . . . . . . . 6359 1 375 . 1 1 36 36 LYS CE C 13 42.400 0.28 . 1 . . . . . . . . 6359 1 376 . 1 1 36 36 LYS H H 1 8.631 0.01 . 1 . . . . . . . . 6359 1 377 . 1 1 36 36 LYS HA H 1 4.084 0.02 . 1 . . . . . . . . 6359 1 378 . 1 1 36 36 LYS HB2 H 1 2.002 0.02 . 2 . . . . . . . . 6359 1 379 . 1 1 36 36 LYS HG3 H 1 0.860 0.02 . 2 . . . . . . . . 6359 1 380 . 1 1 36 36 LYS HD2 H 1 1.405 0.02 . 2 . . . . . . . . 6359 1 381 . 1 1 36 36 LYS HD3 H 1 1.486 0.02 . 2 . . . . . . . . 6359 1 382 . 1 1 36 36 LYS HE2 H 1 3.380 0.02 . 2 . . . . . . . . 6359 1 383 . 1 1 36 36 LYS HE3 H 1 3.112 0.02 . 2 . . . . . . . . 6359 1 384 . 1 1 37 37 ASP N N 15 120.131 0.01 . 1 . . . . . . . . 6359 1 385 . 1 1 37 37 ASP CA C 13 57.565 0.24 . 1 . . . . . . . . 6359 1 386 . 1 1 37 37 ASP C C 13 178.735 0.12 . 1 . . . . . . . . 6359 1 387 . 1 1 37 37 ASP CB C 13 41.230 0.27 . 1 . . . . . . . . 6359 1 388 . 1 1 37 37 ASP H H 1 9.131 0.01 . 1 . . . . . . . . 6359 1 389 . 1 1 37 37 ASP HA H 1 4.511 0.02 . 1 . . . . . . . . 6359 1 390 . 1 1 37 37 ASP HB2 H 1 2.800 0.02 . 2 . . . . . . . . 6359 1 391 . 1 1 38 38 ALA N N 15 123.170 0.01 . 1 . . . . . . . . 6359 1 392 . 1 1 38 38 ALA CA C 13 55.527 0.24 . 1 . . . . . . . . 6359 1 393 . 1 1 38 38 ALA C C 13 179.000 0.12 . 1 . . . . . . . . 6359 1 394 . 1 1 38 38 ALA CB C 13 22.110 0.27 . 1 . . . . . . . . 6359 1 395 . 1 1 38 38 ALA H H 1 8.333 0.01 . 1 . . . . . . . . 6359 1 396 . 1 1 38 38 ALA HA H 1 3.853 0.02 . 1 . . . . . . . . 6359 1 397 . 1 1 38 38 ALA HB1 H 1 1.528 0.02 . 1 . . . . . . . . 6359 1 398 . 1 1 38 38 ALA HB2 H 1 1.528 0.02 . 1 . . . . . . . . 6359 1 399 . 1 1 38 38 ALA HB3 H 1 1.528 0.02 . 1 . . . . . . . . 6359 1 400 . 1 1 39 39 TRP N N 15 119.059 0.01 . 1 . . . . . . . . 6359 1 401 . 1 1 39 39 TRP NE1 N 15 128.600 0.01 . 1 . . . . . . . . 6359 1 402 . 1 1 39 39 TRP CA C 13 59.717 0.24 . 1 . . . . . . . . 6359 1 403 . 1 1 39 39 TRP C C 13 177.766 0.12 . 1 . . . . . . . . 6359 1 404 . 1 1 39 39 TRP CB C 13 30.068 0.27 . 1 . . . . . . . . 6359 1 405 . 1 1 39 39 TRP H H 1 8.950 0.01 . 1 . . . . . . . . 6359 1 406 . 1 1 39 39 TRP HA H 1 4.082 0.02 . 1 . . . . . . . . 6359 1 407 . 1 1 39 39 TRP HB2 H 1 3.432 0.02 . 2 . . . . . . . . 6359 1 408 . 1 1 39 39 TRP HD1 H 1 7.230 0.02 . 1 . . . . . . . . 6359 1 409 . 1 1 39 39 TRP HE1 H 1 10.175 0.02 . 1 . . . . . . . . 6359 1 410 . 1 1 39 39 TRP HE3 H 1 7.334 0.02 . 1 . . . . . . . . 6359 1 411 . 1 1 39 39 TRP HZ3 H 1 6.000 0.02 . 1 . . . . . . . . 6359 1 412 . 1 1 39 39 TRP HZ2 H 1 7.801 0.02 . 1 . . . . . . . . 6359 1 413 . 1 1 40 40 ALA N N 15 120.172 0.01 . 1 . . . . . . . . 6359 1 414 . 1 1 40 40 ALA CA C 13 55.022 0.24 . 1 . . . . . . . . 6359 1 415 . 1 1 40 40 ALA C C 13 181.209 0.12 . 1 . . . . . . . . 6359 1 416 . 1 1 40 40 ALA CB C 13 17.844 0.27 . 1 . . . . . . . . 6359 1 417 . 1 1 40 40 ALA H H 1 8.335 0.01 . 1 . . . . . . . . 6359 1 418 . 1 1 40 40 ALA HA H 1 4.147 0.02 . 1 . . . . . . . . 6359 1 419 . 1 1 40 40 ALA HB1 H 1 1.660 0.02 . 1 . . . . . . . . 6359 1 420 . 1 1 40 40 ALA HB2 H 1 1.660 0.02 . 1 . . . . . . . . 6359 1 421 . 1 1 40 40 ALA HB3 H 1 1.660 0.02 . 1 . . . . . . . . 6359 1 422 . 1 1 41 41 GLN N N 15 118.383 0.01 . 1 . . . . . . . . 6359 1 423 . 1 1 41 41 GLN NE2 N 15 113.850 0.01 . 1 . . . . . . . . 6359 1 424 . 1 1 41 41 GLN CA C 13 59.552 0.24 . 1 . . . . . . . . 6359 1 425 . 1 1 41 41 GLN C C 13 179.664 0.12 . 1 . . . . . . . . 6359 1 426 . 1 1 41 41 GLN CB C 13 27.787 0.27 . 1 . . . . . . . . 6359 1 427 . 1 1 41 41 GLN CG C 13 34.100 0.28 . 1 . . . . . . . . 6359 1 428 . 1 1 41 41 GLN H H 1 7.814 0.01 . 1 . . . . . . . . 6359 1 429 . 1 1 41 41 GLN HA H 1 4.157 0.02 . 1 . . . . . . . . 6359 1 430 . 1 1 41 41 GLN HB2 H 1 2.490 0.02 . 2 . . . . . . . . 6359 1 431 . 1 1 41 41 GLN HB3 H 1 2.430 0.02 . 2 . . . . . . . . 6359 1 432 . 1 1 41 41 GLN HG2 H 1 2.542 0.02 . 2 . . . . . . . . 6359 1 433 . 1 1 41 41 GLN HG3 H 1 2.861 0.02 . 2 . . . . . . . . 6359 1 434 . 1 1 41 41 GLN HE21 H 1 7.809 0.02 . 1 . . . . . . . . 6359 1 435 . 1 1 41 41 GLN HE22 H 1 7.214 0.02 . 1 . . . . . . . . 6359 1 436 . 1 1 42 42 TRP N N 15 122.453 0.01 . 1 . . . . . . . . 6359 1 437 . 1 1 42 42 TRP NE1 N 15 127.420 0.01 . 1 . . . . . . . . 6359 1 438 . 1 1 42 42 TRP CA C 13 58.220 0.24 . 1 . . . . . . . . 6359 1 439 . 1 1 42 42 TRP C C 13 175.552 0.12 . 1 . . . . . . . . 6359 1 440 . 1 1 42 42 TRP CB C 13 28.893 0.27 . 1 . . . . . . . . 6359 1 441 . 1 1 42 42 TRP H H 1 8.178 0.01 . 1 . . . . . . . . 6359 1 442 . 1 1 42 42 TRP HA H 1 3.904 0.02 . 1 . . . . . . . . 6359 1 443 . 1 1 42 42 TRP HB2 H 1 2.878 0.02 . 2 . . . . . . . . 6359 1 444 . 1 1 42 42 TRP HB3 H 1 3.084 0.02 . 2 . . . . . . . . 6359 1 445 . 1 1 42 42 TRP HD1 H 1 7.300 0.02 . 1 . . . . . . . . 6359 1 446 . 1 1 42 42 TRP HE1 H 1 9.560 0.02 . 1 . . . . . . . . 6359 1 447 . 1 1 42 42 TRP HZ3 H 1 6.010 0.02 . 1 . . . . . . . . 6359 1 448 . 1 1 42 42 TRP HZ2 H 1 6.850 0.02 . 1 . . . . . . . . 6359 1 449 . 1 1 43 43 GLN N N 15 117.125 0.01 . 1 . . . . . . . . 6359 1 450 . 1 1 43 43 GLN NE2 N 15 113.520 0.01 . 1 . . . . . . . . 6359 1 451 . 1 1 43 43 GLN CA C 13 58.844 0.24 . 1 . . . . . . . . 6359 1 452 . 1 1 43 43 GLN C C 13 178.524 0.12 . 1 . . . . . . . . 6359 1 453 . 1 1 43 43 GLN CB C 13 27.610 0.27 . 1 . . . . . . . . 6359 1 454 . 1 1 43 43 GLN CG C 13 34.436 0.28 . 1 . . . . . . . . 6359 1 455 . 1 1 43 43 GLN H H 1 8.447 0.01 . 1 . . . . . . . . 6359 1 456 . 1 1 43 43 GLN HA H 1 2.850 0.02 . 1 . . . . . . . . 6359 1 457 . 1 1 43 43 GLN HB2 H 1 1.813 0.02 . 2 . . . . . . . . 6359 1 458 . 1 1 43 43 GLN HB3 H 1 1.911 0.02 . 2 . . . . . . . . 6359 1 459 . 1 1 43 43 GLN HG2 H 1 2.075 0.02 . 2 . . . . . . . . 6359 1 460 . 1 1 43 43 GLN HG3 H 1 1.651 0.02 . 2 . . . . . . . . 6359 1 461 . 1 1 43 43 GLN HE21 H 1 7.120 0.02 . 1 . . . . . . . . 6359 1 462 . 1 1 43 43 GLN HE22 H 1 6.024 0.02 . 1 . . . . . . . . 6359 1 463 . 1 1 44 44 HIS N N 15 117.655 0.01 . 1 . . . . . . . . 6359 1 464 . 1 1 44 44 HIS CA C 13 59.552 0.24 . 1 . . . . . . . . 6359 1 465 . 1 1 44 44 HIS C C 13 177.284 0.12 . 1 . . . . . . . . 6359 1 466 . 1 1 44 44 HIS CB C 13 30.729 0.27 . 1 . . . . . . . . 6359 1 467 . 1 1 44 44 HIS H H 1 7.339 0.01 . 1 . . . . . . . . 6359 1 468 . 1 1 44 44 HIS HA H 1 4.231 0.02 . 1 . . . . . . . . 6359 1 469 . 1 1 44 44 HIS HB2 H 1 3.084 0.02 . 2 . . . . . . . . 6359 1 470 . 1 1 45 45 LYS N N 15 121.927 0.01 . 1 . . . . . . . . 6359 1 471 . 1 1 45 45 LYS CA C 13 58.278 0.24 . 1 . . . . . . . . 6359 1 472 . 1 1 45 45 LYS C C 13 177.375 0.12 . 1 . . . . . . . . 6359 1 473 . 1 1 45 45 LYS CB C 13 30.904 0.27 . 1 . . . . . . . . 6359 1 474 . 1 1 45 45 LYS CG C 13 24.900 0.28 . 1 . . . . . . . . 6359 1 475 . 1 1 45 45 LYS CD C 13 28.500 0.28 . 1 . . . . . . . . 6359 1 476 . 1 1 45 45 LYS CE C 13 42.800 0.28 . 1 . . . . . . . . 6359 1 477 . 1 1 45 45 LYS H H 1 7.165 0.01 . 1 . . . . . . . . 6359 1 478 . 1 1 45 45 LYS HA H 1 3.734 0.02 . 1 . . . . . . . . 6359 1 479 . 1 1 45 45 LYS HB2 H 1 1.400 0.02 . 2 . . . . . . . . 6359 1 480 . 1 1 45 45 LYS HB3 H 1 1.357 0.02 . 2 . . . . . . . . 6359 1 481 . 1 1 45 45 LYS HG2 H 1 1.103 0.02 . 2 . . . . . . . . 6359 1 482 . 1 1 45 45 LYS HG3 H 1 1.227 0.02 . 2 . . . . . . . . 6359 1 483 . 1 1 45 45 LYS HD2 H 1 1.570 0.02 . 2 . . . . . . . . 6359 1 484 . 1 1 45 45 LYS HD3 H 1 1.690 0.02 . 2 . . . . . . . . 6359 1 485 . 1 1 45 45 LYS HE3 H 1 3.110 0.02 . 2 . . . . . . . . 6359 1 486 . 1 1 46 46 GLN N N 15 119.555 0.01 . 1 . . . . . . . . 6359 1 487 . 1 1 46 46 GLN NE2 N 15 109.400 0.01 . 1 . . . . . . . . 6359 1 488 . 1 1 46 46 GLN CA C 13 59.440 0.24 . 1 . . . . . . . . 6359 1 489 . 1 1 46 46 GLN C C 13 177.134 0.12 . 1 . . . . . . . . 6359 1 490 . 1 1 46 46 GLN CB C 13 28.118 0.27 . 1 . . . . . . . . 6359 1 491 . 1 1 46 46 GLN CG C 13 35.201 0.28 . 1 . . . . . . . . 6359 1 492 . 1 1 46 46 GLN H H 1 8.455 0.01 . 1 . . . . . . . . 6359 1 493 . 1 1 46 46 GLN HA H 1 3.000 0.02 . 1 . . . . . . . . 6359 1 494 . 1 1 46 46 GLN HB2 H 1 0.474 0.02 . 2 . . . . . . . . 6359 1 495 . 1 1 46 46 GLN HB3 H 1 1.297 0.02 . 2 . . . . . . . . 6359 1 496 . 1 1 46 46 GLN HG2 H 1 1.905 0.02 . 2 . . . . . . . . 6359 1 497 . 1 1 46 46 GLN HG3 H 1 2.048 0.02 . 2 . . . . . . . . 6359 1 498 . 1 1 46 46 GLN HE21 H 1 7.214 0.02 . 1 . . . . . . . . 6359 1 499 . 1 1 46 46 GLN HE22 H 1 6.869 0.02 . 1 . . . . . . . . 6359 1 500 . 1 1 47 47 THR N N 15 115.064 0.01 . 1 . . . . . . . . 6359 1 501 . 1 1 47 47 THR CA C 13 66.910 0.24 . 1 . . . . . . . . 6359 1 502 . 1 1 47 47 THR C C 13 175.936 0.12 . 1 . . . . . . . . 6359 1 503 . 1 1 47 47 THR CB C 13 69.100 0.27 . 1 . . . . . . . . 6359 1 504 . 1 1 47 47 THR CG2 C 13 21.790 0.28 . 1 . . . . . . . . 6359 1 505 . 1 1 47 47 THR H H 1 7.538 0.01 . 1 . . . . . . . . 6359 1 506 . 1 1 47 47 THR HA H 1 3.688 0.02 . 1 . . . . . . . . 6359 1 507 . 1 1 47 47 THR HB H 1 4.137 0.02 . 1 . . . . . . . . 6359 1 508 . 1 1 47 47 THR HG21 H 1 1.181 0.02 . 1 . . . . . . . . 6359 1 509 . 1 1 47 47 THR HG22 H 1 1.181 0.02 . 1 . . . . . . . . 6359 1 510 . 1 1 47 47 THR HG23 H 1 1.181 0.02 . 1 . . . . . . . . 6359 1 511 . 1 1 48 48 MET N N 15 120.230 0.01 . 1 . . . . . . . . 6359 1 512 . 1 1 48 48 MET CA C 13 58.952 0.24 . 1 . . . . . . . . 6359 1 513 . 1 1 48 48 MET C C 13 178.728 0.12 . 1 . . . . . . . . 6359 1 514 . 1 1 48 48 MET CB C 13 32.077 0.27 . 1 . . . . . . . . 6359 1 515 . 1 1 48 48 MET CG C 13 34.300 0.28 . 1 . . . . . . . . 6359 1 516 . 1 1 48 48 MET H H 1 7.327 0.01 . 1 . . . . . . . . 6359 1 517 . 1 1 48 48 MET HA H 1 4.151 0.02 . 1 . . . . . . . . 6359 1 518 . 1 1 48 48 MET HB2 H 1 2.335 0.02 . 2 . . . . . . . . 6359 1 519 . 1 1 48 48 MET HB3 H 1 2.542 0.02 . 2 . . . . . . . . 6359 1 520 . 1 1 48 48 MET HG2 H 1 2.528 0.02 . 2 . . . . . . . . 6359 1 521 . 1 1 48 48 MET HG3 H 1 2.631 0.02 . 2 . . . . . . . . 6359 1 522 . 1 1 49 49 LEU N N 15 121.610 0.01 . 1 . . . . . . . . 6359 1 523 . 1 1 49 49 LEU CA C 13 58.261 0.24 . 1 . . . . . . . . 6359 1 524 . 1 1 49 49 LEU C C 13 179.160 0.12 . 1 . . . . . . . . 6359 1 525 . 1 1 49 49 LEU CB C 13 43.362 0.27 . 1 . . . . . . . . 6359 1 526 . 1 1 49 49 LEU CG C 13 26.800 0.28 . 1 . . . . . . . . 6359 1 527 . 1 1 49 49 LEU CD1 C 13 23.850 0.28 . 1 . . . . . . . . 6359 1 528 . 1 1 49 49 LEU H H 1 8.535 0.01 . 1 . . . . . . . . 6359 1 529 . 1 1 49 49 LEU HA H 1 3.998 0.02 . 1 . . . . . . . . 6359 1 530 . 1 1 49 49 LEU HB2 H 1 1.920 0.02 . 2 . . . . . . . . 6359 1 531 . 1 1 49 49 LEU HB3 H 1 1.110 0.02 . 2 . . . . . . . . 6359 1 532 . 1 1 49 49 LEU HD21 H 1 0.885 0.02 . 2 . . . . . . . . 6359 1 533 . 1 1 49 49 LEU HD22 H 1 0.885 0.02 . 2 . . . . . . . . 6359 1 534 . 1 1 49 49 LEU HD23 H 1 0.885 0.02 . 2 . . . . . . . . 6359 1 535 . 1 1 50 50 ILE N N 15 118.723 0.01 . 1 . . . . . . . . 6359 1 536 . 1 1 50 50 ILE CA C 13 66.232 0.24 . 1 . . . . . . . . 6359 1 537 . 1 1 50 50 ILE C C 13 178.786 0.12 . 1 . . . . . . . . 6359 1 538 . 1 1 50 50 ILE CB C 13 38.905 0.27 . 1 . . . . . . . . 6359 1 539 . 1 1 50 50 ILE CG1 C 13 25.040 0.28 . 1 . . . . . . . . 6359 1 540 . 1 1 50 50 ILE CG2 C 13 16.876 0.28 . 1 . . . . . . . . 6359 1 541 . 1 1 50 50 ILE CD1 C 13 14.500 0.28 . 1 . . . . . . . . 6359 1 542 . 1 1 50 50 ILE H H 1 8.481 0.01 . 1 . . . . . . . . 6359 1 543 . 1 1 50 50 ILE HA H 1 3.394 0.02 . 1 . . . . . . . . 6359 1 544 . 1 1 50 50 ILE HB H 1 1.870 0.02 . 1 . . . . . . . . 6359 1 545 . 1 1 50 50 ILE HG13 H 1 1.040 0.02 . 2 . . . . . . . . 6359 1 546 . 1 1 50 50 ILE HG21 H 1 1.014 0.02 . 1 . . . . . . . . 6359 1 547 . 1 1 50 50 ILE HG22 H 1 1.014 0.02 . 1 . . . . . . . . 6359 1 548 . 1 1 50 50 ILE HG23 H 1 1.014 0.02 . 1 . . . . . . . . 6359 1 549 . 1 1 50 50 ILE HD11 H 1 0.880 0.02 . 1 . . . . . . . . 6359 1 550 . 1 1 50 50 ILE HD12 H 1 0.880 0.02 . 1 . . . . . . . . 6359 1 551 . 1 1 50 50 ILE HD13 H 1 0.880 0.02 . 1 . . . . . . . . 6359 1 552 . 1 1 51 51 ASN N N 15 116.070 0.01 . 1 . . . . . . . . 6359 1 553 . 1 1 51 51 ASN ND2 N 15 113.150 0.01 . 1 . . . . . . . . 6359 1 554 . 1 1 51 51 ASN CA C 13 55.864 0.24 . 1 . . . . . . . . 6359 1 555 . 1 1 51 51 ASN C C 13 177.799 0.12 . 1 . . . . . . . . 6359 1 556 . 1 1 51 51 ASN CB C 13 38.738 0.27 . 1 . . . . . . . . 6359 1 557 . 1 1 51 51 ASN H H 1 7.719 0.01 . 1 . . . . . . . . 6359 1 558 . 1 1 51 51 ASN HA H 1 4.587 0.02 . 1 . . . . . . . . 6359 1 559 . 1 1 51 51 ASN HB2 H 1 2.917 0.02 . 2 . . . . . . . . 6359 1 560 . 1 1 51 51 ASN HD21 H 1 7.752 0.02 . 1 . . . . . . . . 6359 1 561 . 1 1 51 51 ASN HD22 H 1 7.059 0.02 . 1 . . . . . . . . 6359 1 562 . 1 1 52 52 GLU N N 15 120.210 0.01 . 1 . . . . . . . . 6359 1 563 . 1 1 52 52 GLU CA C 13 59.430 0.24 . 1 . . . . . . . . 6359 1 564 . 1 1 52 52 GLU C C 13 178.757 0.12 . 1 . . . . . . . . 6359 1 565 . 1 1 52 52 GLU CB C 13 30.538 0.27 . 1 . . . . . . . . 6359 1 566 . 1 1 52 52 GLU CG C 13 36.427 0.28 . 1 . . . . . . . . 6359 1 567 . 1 1 52 52 GLU H H 1 8.952 0.01 . 1 . . . . . . . . 6359 1 568 . 1 1 52 52 GLU HA H 1 4.082 0.02 . 1 . . . . . . . . 6359 1 569 . 1 1 52 52 GLU HB2 H 1 2.060 0.02 . 2 . . . . . . . . 6359 1 570 . 1 1 52 52 GLU HB3 H 1 2.200 0.02 . 2 . . . . . . . . 6359 1 571 . 1 1 52 52 GLU HG2 H 1 2.450 0.02 . 2 . . . . . . . . 6359 1 572 . 1 1 52 52 GLU HG3 H 1 2.255 0.02 . 2 . . . . . . . . 6359 1 573 . 1 1 53 53 LYS N N 15 114.627 0.01 . 1 . . . . . . . . 6359 1 574 . 1 1 53 53 LYS CA C 13 55.852 0.24 . 1 . . . . . . . . 6359 1 575 . 1 1 53 53 LYS C C 13 174.673 0.12 . 1 . . . . . . . . 6359 1 576 . 1 1 53 53 LYS CB C 13 31.951 0.27 . 1 . . . . . . . . 6359 1 577 . 1 1 53 53 LYS CG C 13 26.130 0.28 . 1 . . . . . . . . 6359 1 578 . 1 1 53 53 LYS CD C 13 29.440 0.28 . 1 . . . . . . . . 6359 1 579 . 1 1 53 53 LYS CE C 13 42.505 0.28 . 1 . . . . . . . . 6359 1 580 . 1 1 53 53 LYS H H 1 8.307 0.01 . 1 . . . . . . . . 6359 1 581 . 1 1 53 53 LYS HA H 1 4.345 0.02 . 1 . . . . . . . . 6359 1 582 . 1 1 53 53 LYS HB2 H 1 1.923 0.02 . 2 . . . . . . . . 6359 1 583 . 1 1 53 53 LYS HB3 H 1 1.690 0.02 . 2 . . . . . . . . 6359 1 584 . 1 1 53 53 LYS HG2 H 1 1.480 0.02 . 2 . . . . . . . . 6359 1 585 . 1 1 53 53 LYS HD2 H 1 1.668 0.02 . 2 . . . . . . . . 6359 1 586 . 1 1 53 53 LYS HD3 H 1 1.540 0.02 . 2 . . . . . . . . 6359 1 587 . 1 1 53 53 LYS HE2 H 1 3.040 0.02 . 2 . . . . . . . . 6359 1 588 . 1 1 53 53 LYS HE3 H 1 2.950 0.02 . 2 . . . . . . . . 6359 1 589 . 1 1 54 54 LYS N N 15 117.138 0.01 . 1 . . . . . . . . 6359 1 590 . 1 1 54 54 LYS CA C 13 56.338 0.24 . 1 . . . . . . . . 6359 1 591 . 1 1 54 54 LYS C C 13 176.576 0.12 . 1 . . . . . . . . 6359 1 592 . 1 1 54 54 LYS CB C 13 28.413 0.27 . 1 . . . . . . . . 6359 1 593 . 1 1 54 54 LYS CG C 13 24.715 0.28 . 1 . . . . . . . . 6359 1 594 . 1 1 54 54 LYS CE C 13 42.000 0.28 . 1 . . . . . . . . 6359 1 595 . 1 1 54 54 LYS H H 1 7.513 0.01 . 1 . . . . . . . . 6359 1 596 . 1 1 54 54 LYS HA H 1 4.122 0.02 . 1 . . . . . . . . 6359 1 597 . 1 1 54 54 LYS HB2 H 1 1.851 0.02 . 2 . . . . . . . . 6359 1 598 . 1 1 54 54 LYS HB3 H 1 2.119 0.02 . 2 . . . . . . . . 6359 1 599 . 1 1 54 54 LYS HG2 H 1 1.415 0.02 . 2 . . . . . . . . 6359 1 600 . 1 1 54 54 LYS HE2 H 1 3.064 0.02 . 2 . . . . . . . . 6359 1 601 . 1 1 55 55 LEU N N 15 116.963 0.01 . 1 . . . . . . . . 6359 1 602 . 1 1 55 55 LEU CA C 13 53.973 0.24 . 1 . . . . . . . . 6359 1 603 . 1 1 55 55 LEU C C 13 176.437 0.12 . 1 . . . . . . . . 6359 1 604 . 1 1 55 55 LEU CB C 13 43.199 0.27 . 1 . . . . . . . . 6359 1 605 . 1 1 55 55 LEU CG C 13 26.101 0.28 . 1 . . . . . . . . 6359 1 606 . 1 1 55 55 LEU CD2 C 13 20.202 0.28 . 1 . . . . . . . . 6359 1 607 . 1 1 55 55 LEU H H 1 7.828 0.01 . 1 . . . . . . . . 6359 1 608 . 1 1 55 55 LEU HA H 1 4.443 0.02 . 1 . . . . . . . . 6359 1 609 . 1 1 55 55 LEU HB2 H 1 1.727 0.02 . 2 . . . . . . . . 6359 1 610 . 1 1 55 55 LEU HB3 H 1 1.182 0.02 . 2 . . . . . . . . 6359 1 611 . 1 1 55 55 LEU HG H 1 0.727 0.02 . 1 . . . . . . . . 6359 1 612 . 1 1 55 55 LEU HD21 H 1 0.160 0.02 . 2 . . . . . . . . 6359 1 613 . 1 1 55 55 LEU HD22 H 1 0.160 0.02 . 2 . . . . . . . . 6359 1 614 . 1 1 55 55 LEU HD23 H 1 0.160 0.02 . 2 . . . . . . . . 6359 1 615 . 1 1 56 56 ASN N N 15 124.923 0.01 . 1 . . . . . . . . 6359 1 616 . 1 1 56 56 ASN ND2 N 15 112.100 0.01 . 1 . . . . . . . . 6359 1 617 . 1 1 56 56 ASN CA C 13 52.214 0.24 . 1 . . . . . . . . 6359 1 618 . 1 1 56 56 ASN C C 13 176.716 0.12 . 1 . . . . . . . . 6359 1 619 . 1 1 56 56 ASN CB C 13 40.734 0.27 . 1 . . . . . . . . 6359 1 620 . 1 1 56 56 ASN H H 1 12.185 0.01 . 1 . . . . . . . . 6359 1 621 . 1 1 56 56 ASN HA H 1 4.931 0.02 . 1 . . . . . . . . 6359 1 622 . 1 1 56 56 ASN HB2 H 1 3.255 0.02 . 2 . . . . . . . . 6359 1 623 . 1 1 56 56 ASN HB3 H 1 2.966 0.02 . 2 . . . . . . . . 6359 1 624 . 1 1 56 56 ASN HD21 H 1 7.872 0.02 . 1 . . . . . . . . 6359 1 625 . 1 1 56 56 ASN HD22 H 1 7.140 0.02 . 1 . . . . . . . . 6359 1 626 . 1 1 57 57 MET N N 15 122.409 0.01 . 1 . . . . . . . . 6359 1 627 . 1 1 57 57 MET CA C 13 56.412 0.24 . 1 . . . . . . . . 6359 1 628 . 1 1 57 57 MET C C 13 177.528 0.12 . 1 . . . . . . . . 6359 1 629 . 1 1 57 57 MET CB C 13 31.601 0.27 . 1 . . . . . . . . 6359 1 630 . 1 1 57 57 MET CG C 13 32.800 0.28 . 1 . . . . . . . . 6359 1 631 . 1 1 57 57 MET CE C 13 17.800 0.28 . 1 . . . . . . . . 6359 1 632 . 1 1 57 57 MET H H 1 9.109 0.01 . 1 . . . . . . . . 6359 1 633 . 1 1 57 57 MET HA H 1 4.504 0.02 . 1 . . . . . . . . 6359 1 634 . 1 1 57 57 MET HB2 H 1 2.116 0.02 . 2 . . . . . . . . 6359 1 635 . 1 1 57 57 MET HB3 H 1 2.234 0.02 . 2 . . . . . . . . 6359 1 636 . 1 1 57 57 MET HG2 H 1 2.535 0.02 . 2 . . . . . . . . 6359 1 637 . 1 1 57 57 MET HG3 H 1 2.895 0.02 . 2 . . . . . . . . 6359 1 638 . 1 1 57 57 MET HE1 H 1 2.073 0.02 . 1 . . . . . . . . 6359 1 639 . 1 1 57 57 MET HE2 H 1 2.073 0.02 . 1 . . . . . . . . 6359 1 640 . 1 1 57 57 MET HE3 H 1 2.073 0.02 . 1 . . . . . . . . 6359 1 641 . 1 1 58 58 MET N N 15 116.645 0.01 . 1 . . . . . . . . 6359 1 642 . 1 1 58 58 MET CA C 13 55.724 0.24 . 1 . . . . . . . . 6359 1 643 . 1 1 58 58 MET C C 13 175.740 0.12 . 1 . . . . . . . . 6359 1 644 . 1 1 58 58 MET CB C 13 31.475 0.27 . 1 . . . . . . . . 6359 1 645 . 1 1 58 58 MET CG C 13 32.604 0.28 . 1 . . . . . . . . 6359 1 646 . 1 1 58 58 MET CE C 13 16.902 0.28 . 1 . . . . . . . . 6359 1 647 . 1 1 58 58 MET H H 1 8.438 0.01 . 1 . . . . . . . . 6359 1 648 . 1 1 58 58 MET HA H 1 4.532 0.02 . 1 . . . . . . . . 6359 1 649 . 1 1 58 58 MET HB2 H 1 2.264 0.02 . 2 . . . . . . . . 6359 1 650 . 1 1 58 58 MET HB3 H 1 2.114 0.02 . 2 . . . . . . . . 6359 1 651 . 1 1 58 58 MET HG2 H 1 2.586 0.02 . 2 . . . . . . . . 6359 1 652 . 1 1 58 58 MET HG3 H 1 2.789 0.02 . 2 . . . . . . . . 6359 1 653 . 1 1 58 58 MET HE1 H 1 2.161 0.02 . 1 . . . . . . . . 6359 1 654 . 1 1 58 58 MET HE2 H 1 2.161 0.02 . 1 . . . . . . . . 6359 1 655 . 1 1 58 58 MET HE3 H 1 2.161 0.02 . 1 . . . . . . . . 6359 1 656 . 1 1 59 59 ASN N N 15 121.186 0.01 . 1 . . . . . . . . 6359 1 657 . 1 1 59 59 ASN ND2 N 15 111.800 0.01 . 1 . . . . . . . . 6359 1 658 . 1 1 59 59 ASN CA C 13 52.126 0.24 . 1 . . . . . . . . 6359 1 659 . 1 1 59 59 ASN CB C 13 39.419 0.27 . 1 . . . . . . . . 6359 1 660 . 1 1 59 59 ASN H H 1 8.184 0.01 . 1 . . . . . . . . 6359 1 661 . 1 1 59 59 ASN HA H 1 4.757 0.02 . 1 . . . . . . . . 6359 1 662 . 1 1 59 59 ASN HB2 H 1 3.252 0.02 . 2 . . . . . . . . 6359 1 663 . 1 1 59 59 ASN HB3 H 1 2.440 0.02 . 2 . . . . . . . . 6359 1 664 . 1 1 59 59 ASN HD21 H 1 7.271 0.02 . 1 . . . . . . . . 6359 1 665 . 1 1 59 59 ASN HD22 H 1 7.008 0.02 . 1 . . . . . . . . 6359 1 666 . 1 1 60 60 ALA CA C 13 55.995 0.24 . 1 . . . . . . . . 6359 1 667 . 1 1 60 60 ALA C C 13 180.575 0.12 . 1 . . . . . . . . 6359 1 668 . 1 1 60 60 ALA CB C 13 18.692 0.27 . 1 . . . . . . . . 6359 1 669 . 1 1 60 60 ALA H H 1 8.416 0.01 . 1 . . . . . . . . 6359 1 670 . 1 1 60 60 ALA HA H 1 3.965 0.02 . 1 . . . . . . . . 6359 1 671 . 1 1 60 60 ALA HB1 H 1 1.590 0.02 . 1 . . . . . . . . 6359 1 672 . 1 1 60 60 ALA HB2 H 1 1.590 0.02 . 1 . . . . . . . . 6359 1 673 . 1 1 60 60 ALA HB3 H 1 1.590 0.02 . 1 . . . . . . . . 6359 1 674 . 1 1 61 61 GLU N N 15 117.461 0.01 . 1 . . . . . . . . 6359 1 675 . 1 1 61 61 GLU CA C 13 59.394 0.24 . 1 . . . . . . . . 6359 1 676 . 1 1 61 61 GLU C C 13 180.087 0.12 . 1 . . . . . . . . 6359 1 677 . 1 1 61 61 GLU CB C 13 28.933 0.27 . 1 . . . . . . . . 6359 1 678 . 1 1 61 61 GLU CG C 13 36.724 0.28 . 1 . . . . . . . . 6359 1 679 . 1 1 61 61 GLU H H 1 8.523 0.01 . 1 . . . . . . . . 6359 1 680 . 1 1 61 61 GLU HA H 1 4.240 0.02 . 1 . . . . . . . . 6359 1 681 . 1 1 61 61 GLU HB2 H 1 2.289 0.02 . 2 . . . . . . . . 6359 1 682 . 1 1 61 61 GLU HB3 H 1 2.239 0.02 . 2 . . . . . . . . 6359 1 683 . 1 1 61 61 GLU HG2 H 1 2.510 0.02 . 2 . . . . . . . . 6359 1 684 . 1 1 61 61 GLU HG3 H 1 2.410 0.02 . 2 . . . . . . . . 6359 1 685 . 1 1 62 62 HIS N N 15 122.501 0.01 . 1 . . . . . . . . 6359 1 686 . 1 1 62 62 HIS CA C 13 57.692 0.24 . 1 . . . . . . . . 6359 1 687 . 1 1 62 62 HIS C C 13 178.295 0.12 . 1 . . . . . . . . 6359 1 688 . 1 1 62 62 HIS CB C 13 31.885 0.27 . 1 . . . . . . . . 6359 1 689 . 1 1 62 62 HIS H H 1 7.855 0.01 . 1 . . . . . . . . 6359 1 690 . 1 1 62 62 HIS HA H 1 4.609 0.02 . 1 . . . . . . . . 6359 1 691 . 1 1 62 62 HIS HB2 H 1 4.034 0.02 . 2 . . . . . . . . 6359 1 692 . 1 1 62 62 HIS HB3 H 1 2.901 0.02 . 2 . . . . . . . . 6359 1 693 . 1 1 62 62 HIS HD2 H 1 6.824 0.02 . 1 . . . . . . . . 6359 1 694 . 1 1 63 63 ARG N N 15 118.302 0.01 . 1 . . . . . . . . 6359 1 695 . 1 1 63 63 ARG CA C 13 60.797 0.24 . 1 . . . . . . . . 6359 1 696 . 1 1 63 63 ARG C C 13 179.494 0.12 . 1 . . . . . . . . 6359 1 697 . 1 1 63 63 ARG CB C 13 30.783 0.27 . 1 . . . . . . . . 6359 1 698 . 1 1 63 63 ARG CD C 13 45.147 0.28 . 1 . . . . . . . . 6359 1 699 . 1 1 63 63 ARG H H 1 8.380 0.01 . 1 . . . . . . . . 6359 1 700 . 1 1 63 63 ARG HA H 1 4.169 0.02 . 1 . . . . . . . . 6359 1 701 . 1 1 63 63 ARG HB2 H 1 2.150 0.02 . 2 . . . . . . . . 6359 1 702 . 1 1 63 63 ARG HB3 H 1 2.002 0.02 . 2 . . . . . . . . 6359 1 703 . 1 1 63 63 ARG HD2 H 1 3.227 0.02 . 2 . . . . . . . . 6359 1 704 . 1 1 63 63 ARG HD3 H 1 2.970 0.02 . 2 . . . . . . . . 6359 1 705 . 1 1 64 64 LYS N N 15 120.692 0.01 . 1 . . . . . . . . 6359 1 706 . 1 1 64 64 LYS CA C 13 59.462 0.24 . 1 . . . . . . . . 6359 1 707 . 1 1 64 64 LYS C C 13 178.730 0.12 . 1 . . . . . . . . 6359 1 708 . 1 1 64 64 LYS CB C 13 32.100 0.27 . 1 . . . . . . . . 6359 1 709 . 1 1 64 64 LYS CG C 13 24.609 0.28 . 1 . . . . . . . . 6359 1 710 . 1 1 64 64 LYS CD C 13 29.300 0.28 . 1 . . . . . . . . 6359 1 711 . 1 1 64 64 LYS CE C 13 42.011 0.28 . 1 . . . . . . . . 6359 1 712 . 1 1 64 64 LYS H H 1 7.914 0.01 . 1 . . . . . . . . 6359 1 713 . 1 1 64 64 LYS HA H 1 4.239 0.02 . 1 . . . . . . . . 6359 1 714 . 1 1 64 64 LYS HB2 H 1 2.069 0.02 . 2 . . . . . . . . 6359 1 715 . 1 1 64 64 LYS HG2 H 1 1.561 0.02 . 2 . . . . . . . . 6359 1 716 . 1 1 64 64 LYS HG3 H 1 1.682 0.02 . 2 . . . . . . . . 6359 1 717 . 1 1 64 64 LYS HD2 H 1 1.810 0.02 . 2 . . . . . . . . 6359 1 718 . 1 1 64 64 LYS HE2 H 1 3.040 0.02 . 2 . . . . . . . . 6359 1 719 . 1 1 65 65 LEU N N 15 121.841 0.01 . 1 . . . . . . . . 6359 1 720 . 1 1 65 65 LEU CA C 13 58.823 0.24 . 1 . . . . . . . . 6359 1 721 . 1 1 65 65 LEU C C 13 179.841 0.12 . 1 . . . . . . . . 6359 1 722 . 1 1 65 65 LEU CB C 13 41.868 0.27 . 1 . . . . . . . . 6359 1 723 . 1 1 65 65 LEU CG C 13 27.220 0.28 . 1 . . . . . . . . 6359 1 724 . 1 1 65 65 LEU CD1 C 13 24.600 0.28 . 1 . . . . . . . . 6359 1 725 . 1 1 65 65 LEU CD2 C 13 25.100 0.28 . 1 . . . . . . . . 6359 1 726 . 1 1 65 65 LEU H H 1 7.848 0.01 . 1 . . . . . . . . 6359 1 727 . 1 1 65 65 LEU HA H 1 4.321 0.02 . 1 . . . . . . . . 6359 1 728 . 1 1 65 65 LEU HB2 H 1 1.965 0.02 . 2 . . . . . . . . 6359 1 729 . 1 1 65 65 LEU HB3 H 1 2.018 0.02 . 2 . . . . . . . . 6359 1 730 . 1 1 65 65 LEU HG H 1 1.911 0.02 . 1 . . . . . . . . 6359 1 731 . 1 1 65 65 LEU HD11 H 1 0.970 0.02 . 2 . . . . . . . . 6359 1 732 . 1 1 65 65 LEU HD12 H 1 0.970 0.02 . 2 . . . . . . . . 6359 1 733 . 1 1 65 65 LEU HD13 H 1 0.970 0.02 . 2 . . . . . . . . 6359 1 734 . 1 1 65 65 LEU HD21 H 1 1.033 0.02 . 2 . . . . . . . . 6359 1 735 . 1 1 65 65 LEU HD22 H 1 1.033 0.02 . 2 . . . . . . . . 6359 1 736 . 1 1 65 65 LEU HD23 H 1 1.033 0.02 . 2 . . . . . . . . 6359 1 737 . 1 1 66 66 LEU N N 15 119.374 0.01 . 1 . . . . . . . . 6359 1 738 . 1 1 66 66 LEU CA C 13 58.633 0.24 . 1 . . . . . . . . 6359 1 739 . 1 1 66 66 LEU C C 13 178.348 0.12 . 1 . . . . . . . . 6359 1 740 . 1 1 66 66 LEU CB C 13 42.293 0.27 . 1 . . . . . . . . 6359 1 741 . 1 1 66 66 LEU CG C 13 27.220 0.28 . 1 . . . . . . . . 6359 1 742 . 1 1 66 66 LEU CD1 C 13 24.900 0.28 . 1 . . . . . . . . 6359 1 743 . 1 1 66 66 LEU H H 1 8.293 0.01 . 1 . . . . . . . . 6359 1 744 . 1 1 66 66 LEU HA H 1 4.125 0.02 . 1 . . . . . . . . 6359 1 745 . 1 1 66 66 LEU HB2 H 1 1.983 0.02 . 2 . . . . . . . . 6359 1 746 . 1 1 66 66 LEU HG H 1 1.988 0.02 . 1 . . . . . . . . 6359 1 747 . 1 1 66 66 LEU HD21 H 1 1.029 0.02 . 2 . . . . . . . . 6359 1 748 . 1 1 66 66 LEU HD22 H 1 1.029 0.02 . 2 . . . . . . . . 6359 1 749 . 1 1 66 66 LEU HD23 H 1 1.029 0.02 . 2 . . . . . . . . 6359 1 750 . 1 1 67 67 GLU N N 15 120.423 0.01 . 1 . . . . . . . . 6359 1 751 . 1 1 67 67 GLU CA C 13 60.686 0.24 . 1 . . . . . . . . 6359 1 752 . 1 1 67 67 GLU C C 13 177.899 0.12 . 1 . . . . . . . . 6359 1 753 . 1 1 67 67 GLU CB C 13 30.297 0.27 . 1 . . . . . . . . 6359 1 754 . 1 1 67 67 GLU CG C 13 38.164 0.28 . 1 . . . . . . . . 6359 1 755 . 1 1 67 67 GLU H H 1 8.280 0.01 . 1 . . . . . . . . 6359 1 756 . 1 1 67 67 GLU HA H 1 4.007 0.02 . 1 . . . . . . . . 6359 1 757 . 1 1 67 67 GLU HB2 H 1 2.326 0.02 . 2 . . . . . . . . 6359 1 758 . 1 1 67 67 GLU HG2 H 1 2.180 0.02 . 2 . . . . . . . . 6359 1 759 . 1 1 67 67 GLU HG3 H 1 2.307 0.02 . 2 . . . . . . . . 6359 1 760 . 1 1 68 68 GLN N N 15 118.482 0.01 . 1 . . . . . . . . 6359 1 761 . 1 1 68 68 GLN NE2 N 15 112.560 0.01 . 1 . . . . . . . . 6359 1 762 . 1 1 68 68 GLN CA C 13 58.965 0.24 . 1 . . . . . . . . 6359 1 763 . 1 1 68 68 GLN C C 13 179.754 0.12 . 1 . . . . . . . . 6359 1 764 . 1 1 68 68 GLN CB C 13 28.321 0.27 . 1 . . . . . . . . 6359 1 765 . 1 1 68 68 GLN CG C 13 34.434 0.28 . 1 . . . . . . . . 6359 1 766 . 1 1 68 68 GLN H H 1 8.043 0.01 . 1 . . . . . . . . 6359 1 767 . 1 1 68 68 GLN HA H 1 4.124 0.02 . 1 . . . . . . . . 6359 1 768 . 1 1 68 68 GLN HB2 H 1 2.460 0.02 . 2 . . . . . . . . 6359 1 769 . 1 1 68 68 GLN HB3 H 1 2.301 0.02 . 2 . . . . . . . . 6359 1 770 . 1 1 68 68 GLN HG2 H 1 2.516 0.02 . 2 . . . . . . . . 6359 1 771 . 1 1 68 68 GLN HG3 H 1 2.631 0.02 . 2 . . . . . . . . 6359 1 772 . 1 1 68 68 GLN HE21 H 1 7.639 0.02 . 1 . . . . . . . . 6359 1 773 . 1 1 68 68 GLN HE22 H 1 7.052 0.02 . 1 . . . . . . . . 6359 1 774 . 1 1 69 69 GLU N N 15 120.143 0.01 . 1 . . . . . . . . 6359 1 775 . 1 1 69 69 GLU CA C 13 59.028 0.24 . 1 . . . . . . . . 6359 1 776 . 1 1 69 69 GLU C C 13 178.416 0.12 . 1 . . . . . . . . 6359 1 777 . 1 1 69 69 GLU CB C 13 28.670 0.27 . 1 . . . . . . . . 6359 1 778 . 1 1 69 69 GLU CG C 13 35.380 0.28 . 1 . . . . . . . . 6359 1 779 . 1 1 69 69 GLU H H 1 8.369 0.01 . 1 . . . . . . . . 6359 1 780 . 1 1 69 69 GLU HA H 1 4.152 0.02 . 1 . . . . . . . . 6359 1 781 . 1 1 69 69 GLU HB2 H 1 2.320 0.02 . 2 . . . . . . . . 6359 1 782 . 1 1 69 69 GLU HB3 H 1 2.401 0.02 . 2 . . . . . . . . 6359 1 783 . 1 1 69 69 GLU HG2 H 1 2.331 0.02 . 2 . . . . . . . . 6359 1 784 . 1 1 69 69 GLU HG3 H 1 2.615 0.02 . 2 . . . . . . . . 6359 1 785 . 1 1 70 70 MET N N 15 124.379 0.01 . 1 . . . . . . . . 6359 1 786 . 1 1 70 70 MET CA C 13 58.752 0.24 . 1 . . . . . . . . 6359 1 787 . 1 1 70 70 MET CB C 13 30.617 0.27 . 1 . . . . . . . . 6359 1 788 . 1 1 70 70 MET CG C 13 33.200 0.28 . 1 . . . . . . . . 6359 1 789 . 1 1 70 70 MET H H 1 8.550 0.01 . 1 . . . . . . . . 6359 1 790 . 1 1 70 70 MET HA H 1 4.002 0.02 . 1 . . . . . . . . 6359 1 791 . 1 1 70 70 MET HB3 H 1 1.761 0.02 . 2 . . . . . . . . 6359 1 792 . 1 1 70 70 MET HG2 H 1 2.201 0.02 . 2 . . . . . . . . 6359 1 793 . 1 1 70 70 MET HE1 H 1 1.413 0.02 . 1 . . . . . . . . 6359 1 794 . 1 1 70 70 MET HE2 H 1 1.413 0.02 . 1 . . . . . . . . 6359 1 795 . 1 1 70 70 MET HE3 H 1 1.413 0.02 . 1 . . . . . . . . 6359 1 796 . 1 1 71 71 VAL N N 15 118.447 0.01 . 1 . . . . . . . . 6359 1 797 . 1 1 71 71 VAL CA C 13 66.943 0.24 . 1 . . . . . . . . 6359 1 798 . 1 1 71 71 VAL C C 13 178.875 0.12 . 1 . . . . . . . . 6359 1 799 . 1 1 71 71 VAL CB C 13 31.882 0.27 . 1 . . . . . . . . 6359 1 800 . 1 1 71 71 VAL CG1 C 13 21.810 0.28 . 1 . . . . . . . . 6359 1 801 . 1 1 71 71 VAL CG2 C 13 24.100 0.28 . 1 . . . . . . . . 6359 1 802 . 1 1 71 71 VAL H H 1 8.016 0.01 . 1 . . . . . . . . 6359 1 803 . 1 1 71 71 VAL HA H 1 3.739 0.02 . 1 . . . . . . . . 6359 1 804 . 1 1 71 71 VAL HB H 1 2.245 0.02 . 1 . . . . . . . . 6359 1 805 . 1 1 71 71 VAL HG11 H 1 1.074 0.02 . 2 . . . . . . . . 6359 1 806 . 1 1 71 71 VAL HG12 H 1 1.074 0.02 . 2 . . . . . . . . 6359 1 807 . 1 1 71 71 VAL HG13 H 1 1.074 0.02 . 2 . . . . . . . . 6359 1 808 . 1 1 71 71 VAL HG21 H 1 1.179 0.02 . 2 . . . . . . . . 6359 1 809 . 1 1 71 71 VAL HG22 H 1 1.179 0.02 . 2 . . . . . . . . 6359 1 810 . 1 1 71 71 VAL HG23 H 1 1.179 0.02 . 2 . . . . . . . . 6359 1 811 . 1 1 72 72 SER N N 15 115.803 0.01 . 1 . . . . . . . . 6359 1 812 . 1 1 72 72 SER CA C 13 61.916 0.24 . 1 . . . . . . . . 6359 1 813 . 1 1 72 72 SER C C 13 175.556 0.12 . 1 . . . . . . . . 6359 1 814 . 1 1 72 72 SER CB C 13 63.533 0.27 . 1 . . . . . . . . 6359 1 815 . 1 1 72 72 SER H H 1 8.170 0.01 . 1 . . . . . . . . 6359 1 816 . 1 1 72 72 SER HA H 1 4.231 0.02 . 1 . . . . . . . . 6359 1 817 . 1 1 72 72 SER HB2 H 1 4.058 0.02 . 2 . . . . . . . . 6359 1 818 . 1 1 73 73 PHE N N 15 120.143 0.01 . 1 . . . . . . . . 6359 1 819 . 1 1 73 73 PHE CA C 13 61.019 0.24 . 1 . . . . . . . . 6359 1 820 . 1 1 73 73 PHE C C 13 177.259 0.12 . 1 . . . . . . . . 6359 1 821 . 1 1 73 73 PHE CB C 13 40.760 0.27 . 1 . . . . . . . . 6359 1 822 . 1 1 73 73 PHE H H 1 8.301 0.01 . 1 . . . . . . . . 6359 1 823 . 1 1 73 73 PHE HA H 1 4.352 0.02 . 1 . . . . . . . . 6359 1 824 . 1 1 73 73 PHE HB2 H 1 3.056 0.02 . 2 . . . . . . . . 6359 1 825 . 1 1 73 73 PHE HB3 H 1 3.385 0.02 . 2 . . . . . . . . 6359 1 826 . 1 1 73 73 PHE HE1 H 1 7.274 0.02 . 3 . . . . . . . . 6359 1 827 . 1 1 74 74 LEU N N 15 114.479 0.01 . 1 . . . . . . . . 6359 1 828 . 1 1 74 74 LEU CA C 13 56.556 0.24 . 1 . . . . . . . . 6359 1 829 . 1 1 74 74 LEU C C 13 177.486 0.12 . 1 . . . . . . . . 6359 1 830 . 1 1 74 74 LEU CB C 13 43.406 0.27 . 1 . . . . . . . . 6359 1 831 . 1 1 74 74 LEU CG C 13 27.100 0.28 . 1 . . . . . . . . 6359 1 832 . 1 1 74 74 LEU CD1 C 13 26.600 0.28 . 1 . . . . . . . . 6359 1 833 . 1 1 74 74 LEU CD2 C 13 22.100 0.28 . 1 . . . . . . . . 6359 1 834 . 1 1 74 74 LEU H H 1 8.480 0.01 . 1 . . . . . . . . 6359 1 835 . 1 1 74 74 LEU HA H 1 4.090 0.02 . 1 . . . . . . . . 6359 1 836 . 1 1 74 74 LEU HB2 H 1 0.480 0.02 . 2 . . . . . . . . 6359 1 837 . 1 1 74 74 LEU HB3 H 1 1.342 0.02 . 2 . . . . . . . . 6359 1 838 . 1 1 74 74 LEU HG H 1 1.750 0.02 . 1 . . . . . . . . 6359 1 839 . 1 1 74 74 LEU HD11 H 1 0.797 0.02 . 2 . . . . . . . . 6359 1 840 . 1 1 74 74 LEU HD12 H 1 0.797 0.02 . 2 . . . . . . . . 6359 1 841 . 1 1 74 74 LEU HD13 H 1 0.797 0.02 . 2 . . . . . . . . 6359 1 842 . 1 1 74 74 LEU HD21 H 1 0.664 0.02 . 2 . . . . . . . . 6359 1 843 . 1 1 74 74 LEU HD22 H 1 0.664 0.02 . 2 . . . . . . . . 6359 1 844 . 1 1 74 74 LEU HD23 H 1 0.664 0.02 . 2 . . . . . . . . 6359 1 845 . 1 1 75 75 PHE N N 15 111.436 0.01 . 1 . . . . . . . . 6359 1 846 . 1 1 75 75 PHE CA C 13 57.695 0.24 . 1 . . . . . . . . 6359 1 847 . 1 1 75 75 PHE C C 13 176.964 0.12 . 1 . . . . . . . . 6359 1 848 . 1 1 75 75 PHE CB C 13 40.594 0.27 . 1 . . . . . . . . 6359 1 849 . 1 1 75 75 PHE H H 1 8.046 0.01 . 1 . . . . . . . . 6359 1 850 . 1 1 75 75 PHE HA H 1 4.961 0.02 . 1 . . . . . . . . 6359 1 851 . 1 1 75 75 PHE HB2 H 1 3.111 0.02 . 2 . . . . . . . . 6359 1 852 . 1 1 75 75 PHE HB3 H 1 3.395 0.02 . 2 . . . . . . . . 6359 1 853 . 1 1 75 75 PHE HE1 H 1 7.366 0.02 . 3 . . . . . . . . 6359 1 854 . 1 1 76 76 GLU N N 15 119.290 0.01 . 1 . . . . . . . . 6359 1 855 . 1 1 76 76 GLU CA C 13 57.135 0.24 . 1 . . . . . . . . 6359 1 856 . 1 1 76 76 GLU C C 13 177.368 0.12 . 1 . . . . . . . . 6359 1 857 . 1 1 76 76 GLU CB C 13 30.107 0.27 . 1 . . . . . . . . 6359 1 858 . 1 1 76 76 GLU CG C 13 36.310 0.28 . 1 . . . . . . . . 6359 1 859 . 1 1 76 76 GLU H H 1 7.650 0.01 . 1 . . . . . . . . 6359 1 860 . 1 1 76 76 GLU HA H 1 4.563 0.02 . 1 . . . . . . . . 6359 1 861 . 1 1 76 76 GLU HB3 H 1 2.311 0.02 . 2 . . . . . . . . 6359 1 862 . 1 1 76 76 GLU HG2 H 1 2.310 0.02 . 2 . . . . . . . . 6359 1 863 . 1 1 77 77 GLY N N 15 110.563 0.01 . 1 . . . . . . . . 6359 1 864 . 1 1 77 77 GLY CA C 13 46.290 0.24 . 1 . . . . . . . . 6359 1 865 . 1 1 77 77 GLY C C 13 174.792 0.12 . 1 . . . . . . . . 6359 1 866 . 1 1 77 77 GLY H H 1 8.745 0.01 . 1 . . . . . . . . 6359 1 867 . 1 1 77 77 GLY HA2 H 1 4.006 0.02 . 2 . . . . . . . . 6359 1 868 . 1 1 78 78 LYS N N 15 119.903 0.01 . 1 . . . . . . . . 6359 1 869 . 1 1 78 78 LYS CA C 13 55.732 0.24 . 1 . . . . . . . . 6359 1 870 . 1 1 78 78 LYS C C 13 176.256 0.12 . 1 . . . . . . . . 6359 1 871 . 1 1 78 78 LYS CB C 13 33.241 0.27 . 1 . . . . . . . . 6359 1 872 . 1 1 78 78 LYS CG C 13 24.544 0.28 . 1 . . . . . . . . 6359 1 873 . 1 1 78 78 LYS CD C 13 28.667 0.28 . 1 . . . . . . . . 6359 1 874 . 1 1 78 78 LYS CE C 13 42.100 0.28 . 1 . . . . . . . . 6359 1 875 . 1 1 78 78 LYS H H 1 8.091 0.01 . 1 . . . . . . . . 6359 1 876 . 1 1 78 78 LYS HA H 1 4.438 0.02 . 1 . . . . . . . . 6359 1 877 . 1 1 78 78 LYS HB2 H 1 1.812 0.02 . 2 . . . . . . . . 6359 1 878 . 1 1 78 78 LYS HB3 H 1 1.892 0.02 . 2 . . . . . . . . 6359 1 879 . 1 1 78 78 LYS HG2 H 1 1.488 0.02 . 2 . . . . . . . . 6359 1 880 . 1 1 78 78 LYS HG3 H 1 1.409 0.02 . 2 . . . . . . . . 6359 1 881 . 1 1 78 78 LYS HD2 H 1 1.720 0.02 . 2 . . . . . . . . 6359 1 882 . 1 1 78 78 LYS HE2 H 1 3.060 0.02 . 2 . . . . . . . . 6359 1 883 . 1 1 79 79 ASP N N 15 121.585 0.01 . 1 . . . . . . . . 6359 1 884 . 1 1 79 79 ASP CA C 13 54.470 0.24 . 1 . . . . . . . . 6359 1 885 . 1 1 79 79 ASP C C 13 175.910 0.12 . 1 . . . . . . . . 6359 1 886 . 1 1 79 79 ASP CB C 13 41.130 0.27 . 1 . . . . . . . . 6359 1 887 . 1 1 79 79 ASP H H 1 8.559 0.01 . 1 . . . . . . . . 6359 1 888 . 1 1 79 79 ASP HA H 1 4.654 0.02 . 1 . . . . . . . . 6359 1 889 . 1 1 79 79 ASP HB2 H 1 2.748 0.02 . 2 . . . . . . . . 6359 1 890 . 1 1 79 79 ASP HB3 H 1 2.620 0.02 . 2 . . . . . . . . 6359 1 891 . 1 1 80 80 VAL N N 15 120.111 0.01 . 1 . . . . . . . . 6359 1 892 . 1 1 80 80 VAL CA C 13 62.150 0.24 . 1 . . . . . . . . 6359 1 893 . 1 1 80 80 VAL C C 13 175.641 0.12 . 1 . . . . . . . . 6359 1 894 . 1 1 80 80 VAL CB C 13 33.166 0.27 . 1 . . . . . . . . 6359 1 895 . 1 1 80 80 VAL CG1 C 13 20.561 0.28 . 1 . . . . . . . . 6359 1 896 . 1 1 80 80 VAL H H 1 8.111 0.01 . 1 . . . . . . . . 6359 1 897 . 1 1 80 80 VAL HA H 1 4.094 0.02 . 1 . . . . . . . . 6359 1 898 . 1 1 80 80 VAL HB H 1 2.015 0.02 . 1 . . . . . . . . 6359 1 899 . 1 1 80 80 VAL HG21 H 1 0.860 0.02 . 2 . . . . . . . . 6359 1 900 . 1 1 80 80 VAL HG22 H 1 0.860 0.02 . 2 . . . . . . . . 6359 1 901 . 1 1 80 80 VAL HG23 H 1 0.860 0.02 . 2 . . . . . . . . 6359 1 902 . 1 1 81 81 HIS N N 15 124.358 0.01 . 1 . . . . . . . . 6359 1 903 . 1 1 81 81 HIS CA C 13 55.969 0.24 . 1 . . . . . . . . 6359 1 904 . 1 1 81 81 HIS C C 13 174.928 0.12 . 1 . . . . . . . . 6359 1 905 . 1 1 81 81 HIS CB C 13 31.020 0.27 . 1 . . . . . . . . 6359 1 906 . 1 1 81 81 HIS H H 1 8.663 0.01 . 1 . . . . . . . . 6359 1 907 . 1 1 81 81 HIS HA H 1 4.711 0.02 . 1 . . . . . . . . 6359 1 908 . 1 1 81 81 HIS HB2 H 1 3.081 0.02 . 2 . . . . . . . . 6359 1 909 . 1 1 81 81 HIS HB3 H 1 3.151 0.02 . 2 . . . . . . . . 6359 1 910 . 1 1 81 81 HIS HD2 H 1 7.067 0.02 . 1 . . . . . . . . 6359 1 911 . 1 1 81 81 HIS HE1 H 1 8.001 0.02 . 1 . . . . . . . . 6359 1 912 . 1 1 82 82 ILE N N 15 123.894 0.01 . 1 . . . . . . . . 6359 1 913 . 1 1 82 82 ILE CA C 13 60.768 0.24 . 1 . . . . . . . . 6359 1 914 . 1 1 82 82 ILE C C 13 175.906 0.12 . 1 . . . . . . . . 6359 1 915 . 1 1 82 82 ILE CB C 13 39.041 0.27 . 1 . . . . . . . . 6359 1 916 . 1 1 82 82 ILE CG1 C 13 27.004 0.28 . 1 . . . . . . . . 6359 1 917 . 1 1 82 82 ILE CG2 C 13 17.544 0.28 . 1 . . . . . . . . 6359 1 918 . 1 1 82 82 ILE CD1 C 13 13.074 0.28 . 1 . . . . . . . . 6359 1 919 . 1 1 82 82 ILE H H 1 8.283 0.01 . 1 . . . . . . . . 6359 1 920 . 1 1 82 82 ILE HA H 1 4.197 0.02 . 1 . . . . . . . . 6359 1 921 . 1 1 82 82 ILE HB H 1 1.870 0.02 . 1 . . . . . . . . 6359 1 922 . 1 1 82 82 ILE HG12 H 1 1.485 0.02 . 2 . . . . . . . . 6359 1 923 . 1 1 82 82 ILE HG13 H 1 1.178 0.02 . 2 . . . . . . . . 6359 1 924 . 1 1 82 82 ILE HG21 H 1 0.934 0.02 . 1 . . . . . . . . 6359 1 925 . 1 1 82 82 ILE HG22 H 1 0.934 0.02 . 1 . . . . . . . . 6359 1 926 . 1 1 82 82 ILE HG23 H 1 0.934 0.02 . 1 . . . . . . . . 6359 1 927 . 1 1 82 82 ILE HD11 H 1 0.874 0.02 . 1 . . . . . . . . 6359 1 928 . 1 1 82 82 ILE HD12 H 1 0.874 0.02 . 1 . . . . . . . . 6359 1 929 . 1 1 82 82 ILE HD13 H 1 0.874 0.02 . 1 . . . . . . . . 6359 1 930 . 1 1 83 83 GLU N N 15 126.064 0.01 . 1 . . . . . . . . 6359 1 931 . 1 1 83 83 GLU CA C 13 57.211 0.24 . 1 . . . . . . . . 6359 1 932 . 1 1 83 83 GLU C C 13 177.083 0.12 . 1 . . . . . . . . 6359 1 933 . 1 1 83 83 GLU CB C 13 30.180 0.27 . 1 . . . . . . . . 6359 1 934 . 1 1 83 83 GLU CG C 13 36.256 0.28 . 1 . . . . . . . . 6359 1 935 . 1 1 83 83 GLU H H 1 8.776 0.01 . 1 . . . . . . . . 6359 1 936 . 1 1 83 83 GLU HA H 1 4.565 0.02 . 1 . . . . . . . . 6359 1 937 . 1 1 83 83 GLU HB2 H 1 2.306 0.02 . 2 . . . . . . . . 6359 1 938 . 1 1 83 83 GLU HG2 H 1 2.394 0.02 . 2 . . . . . . . . 6359 1 939 . 1 1 83 83 GLU HG3 H 1 2.306 0.02 . 2 . . . . . . . . 6359 1 940 . 1 1 84 84 GLY N N 15 111.452 0.01 . 1 . . . . . . . . 6359 1 941 . 1 1 84 84 GLY CA C 13 45.730 0.24 . 1 . . . . . . . . 6359 1 942 . 1 1 84 84 GLY C C 13 173.722 0.12 . 1 . . . . . . . . 6359 1 943 . 1 1 84 84 GLY H H 1 8.737 0.01 . 1 . . . . . . . . 6359 1 944 . 1 1 84 84 GLY HA2 H 1 4.020 0.02 . 2 . . . . . . . . 6359 1 945 . 1 1 84 84 GLY HA3 H 1 3.980 0.02 . 2 . . . . . . . . 6359 1 946 . 1 1 85 85 TYR N N 15 120.874 0.01 . 1 . . . . . . . . 6359 1 947 . 1 1 85 85 TYR CA C 13 58.173 0.24 . 1 . . . . . . . . 6359 1 948 . 1 1 85 85 TYR C C 13 175.463 0.12 . 1 . . . . . . . . 6359 1 949 . 1 1 85 85 TYR CB C 13 39.419 0.27 . 1 . . . . . . . . 6359 1 950 . 1 1 85 85 TYR H H 1 8.169 0.01 . 1 . . . . . . . . 6359 1 951 . 1 1 85 85 TYR HA H 1 4.616 0.02 . 1 . . . . . . . . 6359 1 952 . 1 1 85 85 TYR HB2 H 1 2.986 0.02 . 2 . . . . . . . . 6359 1 953 . 1 1 85 85 TYR HE1 H 1 7.090 0.02 . 3 . . . . . . . . 6359 1 954 . 1 1 86 86 THR N N 15 121.371 0.01 . 1 . . . . . . . . 6359 1 955 . 1 1 86 86 THR CA C 13 58.950 0.24 . 1 . . . . . . . . 6359 1 956 . 1 1 86 86 THR CB C 13 70.141 0.27 . 1 . . . . . . . . 6359 1 957 . 1 1 86 86 THR H H 1 8.275 0.01 . 1 . . . . . . . . 6359 1 958 . 1 1 86 86 THR HA H 1 4.140 0.02 . 1 . . . . . . . . 6359 1 959 . 1 1 86 86 THR HG21 H 1 1.210 0.02 . 1 . . . . . . . . 6359 1 960 . 1 1 86 86 THR HG22 H 1 1.210 0.02 . 1 . . . . . . . . 6359 1 961 . 1 1 86 86 THR HG23 H 1 1.210 0.02 . 1 . . . . . . . . 6359 1 962 . 1 1 87 87 PRO CA C 13 63.188 0.24 . 1 . . . . . . . . 6359 1 963 . 1 1 87 87 PRO C C 13 177.072 0.12 . 1 . . . . . . . . 6359 1 964 . 1 1 87 87 PRO CB C 13 32.479 0.27 . 1 . . . . . . . . 6359 1 965 . 1 1 87 87 PRO CG C 13 27.437 0.28 . 1 . . . . . . . . 6359 1 966 . 1 1 87 87 PRO CD C 13 50.974 0.28 . 1 . . . . . . . . 6359 1 967 . 1 1 87 87 PRO HA H 1 4.344 0.02 . 1 . . . . . . . . 6359 1 968 . 1 1 87 87 PRO HB2 H 1 2.328 0.02 . 2 . . . . . . . . 6359 1 969 . 1 1 87 87 PRO HG2 H 1 2.023 0.02 . 2 . . . . . . . . 6359 1 970 . 1 1 87 87 PRO HD2 H 1 3.659 0.02 . 2 . . . . . . . . 6359 1 971 . 1 1 88 88 GLU N N 15 121.048 0.01 . 1 . . . . . . . . 6359 1 972 . 1 1 88 88 GLU CA C 13 57.104 0.24 . 1 . . . . . . . . 6359 1 973 . 1 1 88 88 GLU C C 13 176.552 0.12 . 1 . . . . . . . . 6359 1 974 . 1 1 88 88 GLU CB C 13 30.338 0.27 . 1 . . . . . . . . 6359 1 975 . 1 1 88 88 GLU CG C 13 36.394 0.28 . 1 . . . . . . . . 6359 1 976 . 1 1 88 88 GLU H H 1 8.618 0.01 . 1 . . . . . . . . 6359 1 977 . 1 1 88 88 GLU HA H 1 4.213 0.02 . 1 . . . . . . . . 6359 1 978 . 1 1 88 88 GLU HB3 H 1 2.038 0.02 . 2 . . . . . . . . 6359 1 979 . 1 1 89 89 ASP N N 15 121.330 0.01 . 1 . . . . . . . . 6359 1 980 . 1 1 89 89 ASP CA C 13 54.573 0.24 . 1 . . . . . . . . 6359 1 981 . 1 1 89 89 ASP C C 13 176.641 0.12 . 1 . . . . . . . . 6359 1 982 . 1 1 89 89 ASP CB C 13 41.245 0.27 . 1 . . . . . . . . 6359 1 983 . 1 1 89 89 ASP H H 1 8.475 0.01 . 1 . . . . . . . . 6359 1 984 . 1 1 89 89 ASP HA H 1 4.661 0.02 . 1 . . . . . . . . 6359 1 985 . 1 1 89 89 ASP HB2 H 1 2.739 0.02 . 2 . . . . . . . . 6359 1 986 . 1 1 89 89 ASP HB3 H 1 2.620 0.02 . 2 . . . . . . . . 6359 1 987 . 1 1 90 90 LYS N N 15 122.030 0.01 . 1 . . . . . . . . 6359 1 988 . 1 1 90 90 LYS CA C 13 56.396 0.24 . 1 . . . . . . . . 6359 1 989 . 1 1 90 90 LYS C C 13 176.542 0.12 . 1 . . . . . . . . 6359 1 990 . 1 1 90 90 LYS CB C 13 32.834 0.27 . 1 . . . . . . . . 6359 1 991 . 1 1 90 90 LYS CG C 13 24.584 0.28 . 1 . . . . . . . . 6359 1 992 . 1 1 90 90 LYS CD C 13 28.850 0.28 . 1 . . . . . . . . 6359 1 993 . 1 1 90 90 LYS CE C 13 42.177 0.28 . 1 . . . . . . . . 6359 1 994 . 1 1 90 90 LYS H H 1 8.358 0.01 . 1 . . . . . . . . 6359 1 995 . 1 1 90 90 LYS HA H 1 4.365 0.02 . 1 . . . . . . . . 6359 1 996 . 1 1 90 90 LYS HB2 H 1 1.837 0.02 . 2 . . . . . . . . 6359 1 997 . 1 1 90 90 LYS HE2 H 1 3.037 0.02 . 2 . . . . . . . . 6359 1 998 . 1 1 91 91 LYS N N 15 123.617 0.01 . 1 . . . . . . . . 6359 1 999 . 1 1 91 91 LYS CA C 13 56.334 0.24 . 1 . . . . . . . . 6359 1 1000 . 1 1 91 91 LYS CB C 13 33.196 0.27 . 1 . . . . . . . . 6359 1 1001 . 1 1 91 91 LYS H H 1 8.511 0.01 . 1 . . . . . . . . 6359 1 stop_ save_