data_5392 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 5392 _Entry.Title ; Solution structure of HMG box 5 in human upstream binding factor ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2002-06-10 _Entry.Accession_date 2002-06-10 _Entry.Last_release_date 2003-12-08 _Entry.Original_release_date 2003-12-08 _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 W. Yang . . . 5392 2 Y. Xu . . . 5392 3 J. Wu . . . 5392 4 W. Zeng . . . 5392 5 Y. Shi . . . 5392 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 5392 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 537 5392 '13C chemical shifts' 363 5392 '15N chemical shifts' 89 5392 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 . . 2003-12-08 2002-06-10 original author . 5392 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 5392 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 12590579 _Citation.Full_citation . _Citation.Title ; Solution structure and DNA binding property of the fifth HMG box domain in comparison with the first HMG box domain in human upstream binding factor ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev Biochemistry _Citation.Journal_name_full . _Citation.Journal_volume 42 _Citation.Journal_issue 7 _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 1930 _Citation.Page_last 1938 _Citation.Year 2003 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W. Yang . . . 5392 1 2 Y. Xu . . . 5392 1 3 J. Wu . . . 5392 1 4 W. Zeng . . . 5392 1 5 Y. Shi . . . 5392 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID hUBF 5392 1 'HMG box 5' 5392 1 'DNA binding domain' 5392 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Upstream_binding_factor_1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Upstream_binding_factor_1 _Assembly.Entry_ID 5392 _Assembly.ID 1 _Assembly.Name 'Upstream binding factor 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 5392 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 'upstream binding factor 1' 1 $UBF1 . . . native . . . . . 5392 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1L8Y . . . . . . 5392 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Upstream binding factor 1' system 5392 1 Ubf1 abbreviation 5392 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_UBF1 _Entity.Sf_category entity _Entity.Sf_framecode UBF1 _Entity.Entry_ID 5392 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name UBF1 _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 ; GKLPESPKRAEEIWQQSVIG DYLARFKNDRVKALKAMEMT WNNMEKKEKLMWIKKAAEDQ KRYERELSEMRAPPAATNSS KKLE ; _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 84 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 1L8Y . "Solution Structure Of Hmg Box 5 In Human Upstream Binding Factor" . . . . . 100.00 91 100.00 100.00 1.88e-52 . . . . 5392 1 2 no PDB 1L8Z . "Solution Structure Of Hmg Box 5 In Human Upstream Binding Factor" . . . . . 100.00 91 100.00 100.00 1.88e-52 . . . . 5392 1 3 no PDB 2HDZ . "Crystal Structure Analysis Of The Ubf Hmg Box5" . . . . . 100.00 91 100.00 100.00 1.88e-52 . . . . 5392 1 4 no DBJ BAB23701 . "unnamed protein product [Mus musculus]" . . . . . 98.81 752 98.80 100.00 9.17e-47 . . . . 5392 1 5 no DBJ BAE01971 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.81 400 98.80 100.00 3.27e-49 . . . . 5392 1 6 no DBJ BAE90957 . "unnamed protein product [Macaca fascicularis]" . . . . . 98.81 452 98.80 100.00 1.36e-48 . . . . 5392 1 7 no DBJ BAF84422 . "unnamed protein product [Homo sapiens]" . . . . . 98.81 764 98.80 100.00 6.42e-47 . . . . 5392 1 8 no DBJ BAF85207 . "unnamed protein product [Homo sapiens]" . . . . . 98.81 764 98.80 100.00 6.42e-47 . . . . 5392 1 9 no EMBL CAA37469 . "unnamed protein product [Homo sapiens]" . . . . . 98.81 764 98.80 100.00 6.42e-47 . . . . 5392 1 10 no EMBL CAA37548 . "unnamed protein product [Homo sapiens]" . . . . . 98.81 764 98.80 100.00 6.42e-47 . . . . 5392 1 11 no EMBL CAA40016 . "autoantigen NOR-90 [Homo sapiens]" . . . . . 98.81 727 98.80 100.00 4.49e-47 . . . . 5392 1 12 no EMBL CAA43222 . "transcription factor UBF [Mus musculus]" . . . . . 98.81 765 98.80 100.00 7.01e-47 . . . . 5392 1 13 no GB AAB38418 . "putative [Cricetulus griseus]" . . . . . 98.81 764 98.80 100.00 7.77e-47 . . . . 5392 1 14 no GB AAB38419 . "putative [Cricetulus griseus]" . . . . . 98.81 727 98.80 100.00 5.54e-47 . . . . 5392 1 15 no GB AAC51239 . "ribosomal RNA upstream binding transcription factor [Homo sapiens]" . . . . . 98.81 654 98.80 100.00 3.68e-47 . . . . 5392 1 16 no GB AAH42297 . "Upstream binding transcription factor, RNA polymerase I [Homo sapiens]" . . . . . 98.81 727 98.80 100.00 4.49e-47 . . . . 5392 1 17 no GB EAW51616 . "upstream binding transcription factor, RNA polymerase I, isoform CRA_a [Homo sapiens]" . . . . . 98.81 505 98.80 100.00 3.88e-48 . . . . 5392 1 18 no PRF 1608205A . "nucleolar transcription factor UBF" . . . . . 98.81 764 98.80 100.00 6.42e-47 . . . . 5392 1 19 no REF NP_001037848 . "nucleolar transcription factor 1 isoform 2 [Mus musculus]" . . . . . 98.81 727 98.80 100.00 4.63e-47 . . . . 5392 1 20 no REF NP_001070151 . "nucleolar transcription factor 1 isoform b [Homo sapiens]" . . . . . 98.81 727 98.80 100.00 4.49e-47 . . . . 5392 1 21 no REF NP_001070152 . "nucleolar transcription factor 1 isoform b [Homo sapiens]" . . . . . 98.81 727 98.80 100.00 4.49e-47 . . . . 5392 1 22 no REF NP_001099193 . "nucleolar transcription factor 1 isoform 1 [Rattus norvegicus]" . . . . . 98.81 727 98.80 100.00 4.32e-47 . . . . 5392 1 23 no REF NP_001121162 . "nucleolar transcription factor 1 isoform 2 [Rattus norvegicus]" . . . . . 98.81 764 98.80 100.00 7.39e-47 . . . . 5392 1 24 no SP P17480 . "RecName: Full=Nucleolar transcription factor 1; AltName: Full=Autoantigen NOR-90; AltName: Full=Upstream-binding factor 1; Shor" . . . . . 98.81 764 98.80 100.00 6.42e-47 . . . . 5392 1 25 no SP P25976 . "RecName: Full=Nucleolar transcription factor 1; AltName: Full=Upstream-binding factor 1; Short=UBF-1 [Mus musculus]" . . . . . 98.81 765 98.80 100.00 7.01e-47 . . . . 5392 1 26 no SP P25977 . "RecName: Full=Nucleolar transcription factor 1; AltName: Full=Upstream-binding factor 1; Short=UBF-1 [Rattus norvegicus]" . . . . . 98.81 764 98.80 100.00 7.39e-47 . . . . 5392 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID UBF1 common 5392 1 UBF1 abbreviation 5392 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 5392 1 2 . LYS . 5392 1 3 . LEU . 5392 1 4 . PRO . 5392 1 5 . GLU . 5392 1 6 . SER . 5392 1 7 . PRO . 5392 1 8 . LYS . 5392 1 9 . ARG . 5392 1 10 . ALA . 5392 1 11 . GLU . 5392 1 12 . GLU . 5392 1 13 . ILE . 5392 1 14 . TRP . 5392 1 15 . GLN . 5392 1 16 . GLN . 5392 1 17 . SER . 5392 1 18 . VAL . 5392 1 19 . ILE . 5392 1 20 . GLY . 5392 1 21 . ASP . 5392 1 22 . TYR . 5392 1 23 . LEU . 5392 1 24 . ALA . 5392 1 25 . ARG . 5392 1 26 . PHE . 5392 1 27 . LYS . 5392 1 28 . ASN . 5392 1 29 . ASP . 5392 1 30 . ARG . 5392 1 31 . VAL . 5392 1 32 . LYS . 5392 1 33 . ALA . 5392 1 34 . LEU . 5392 1 35 . LYS . 5392 1 36 . ALA . 5392 1 37 . MET . 5392 1 38 . GLU . 5392 1 39 . MET . 5392 1 40 . THR . 5392 1 41 . TRP . 5392 1 42 . ASN . 5392 1 43 . ASN . 5392 1 44 . MET . 5392 1 45 . GLU . 5392 1 46 . LYS . 5392 1 47 . LYS . 5392 1 48 . GLU . 5392 1 49 . LYS . 5392 1 50 . LEU . 5392 1 51 . MET . 5392 1 52 . TRP . 5392 1 53 . ILE . 5392 1 54 . LYS . 5392 1 55 . LYS . 5392 1 56 . ALA . 5392 1 57 . ALA . 5392 1 58 . GLU . 5392 1 59 . ASP . 5392 1 60 . GLN . 5392 1 61 . LYS . 5392 1 62 . ARG . 5392 1 63 . TYR . 5392 1 64 . GLU . 5392 1 65 . ARG . 5392 1 66 . GLU . 5392 1 67 . LEU . 5392 1 68 . SER . 5392 1 69 . GLU . 5392 1 70 . MET . 5392 1 71 . ARG . 5392 1 72 . ALA . 5392 1 73 . PRO . 5392 1 74 . PRO . 5392 1 75 . ALA . 5392 1 76 . ALA . 5392 1 77 . THR . 5392 1 78 . ASN . 5392 1 79 . SER . 5392 1 80 . SER . 5392 1 81 . LYS . 5392 1 82 . LYS . 5392 1 83 . LEU . 5392 1 84 . GLU . 5392 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 5392 1 . LYS 2 2 5392 1 . LEU 3 3 5392 1 . PRO 4 4 5392 1 . GLU 5 5 5392 1 . SER 6 6 5392 1 . PRO 7 7 5392 1 . LYS 8 8 5392 1 . ARG 9 9 5392 1 . ALA 10 10 5392 1 . GLU 11 11 5392 1 . GLU 12 12 5392 1 . ILE 13 13 5392 1 . TRP 14 14 5392 1 . GLN 15 15 5392 1 . GLN 16 16 5392 1 . SER 17 17 5392 1 . VAL 18 18 5392 1 . ILE 19 19 5392 1 . GLY 20 20 5392 1 . ASP 21 21 5392 1 . TYR 22 22 5392 1 . LEU 23 23 5392 1 . ALA 24 24 5392 1 . ARG 25 25 5392 1 . PHE 26 26 5392 1 . LYS 27 27 5392 1 . ASN 28 28 5392 1 . ASP 29 29 5392 1 . ARG 30 30 5392 1 . VAL 31 31 5392 1 . LYS 32 32 5392 1 . ALA 33 33 5392 1 . LEU 34 34 5392 1 . LYS 35 35 5392 1 . ALA 36 36 5392 1 . MET 37 37 5392 1 . GLU 38 38 5392 1 . MET 39 39 5392 1 . THR 40 40 5392 1 . TRP 41 41 5392 1 . ASN 42 42 5392 1 . ASN 43 43 5392 1 . MET 44 44 5392 1 . GLU 45 45 5392 1 . LYS 46 46 5392 1 . LYS 47 47 5392 1 . GLU 48 48 5392 1 . LYS 49 49 5392 1 . LEU 50 50 5392 1 . MET 51 51 5392 1 . TRP 52 52 5392 1 . ILE 53 53 5392 1 . LYS 54 54 5392 1 . LYS 55 55 5392 1 . ALA 56 56 5392 1 . ALA 57 57 5392 1 . GLU 58 58 5392 1 . ASP 59 59 5392 1 . GLN 60 60 5392 1 . LYS 61 61 5392 1 . ARG 62 62 5392 1 . TYR 63 63 5392 1 . GLU 64 64 5392 1 . ARG 65 65 5392 1 . GLU 66 66 5392 1 . LEU 67 67 5392 1 . SER 68 68 5392 1 . GLU 69 69 5392 1 . MET 70 70 5392 1 . ARG 71 71 5392 1 . ALA 72 72 5392 1 . PRO 73 73 5392 1 . PRO 74 74 5392 1 . ALA 75 75 5392 1 . ALA 76 76 5392 1 . THR 77 77 5392 1 . ASN 78 78 5392 1 . SER 79 79 5392 1 . SER 80 80 5392 1 . LYS 81 81 5392 1 . LYS 82 82 5392 1 . LEU 83 83 5392 1 . GLU 84 84 5392 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 5392 _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 $UBF1 . 9606 . . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 5392 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 5392 _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 $UBF1 . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . PET-22B . . . . . . 5392 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample1 _Sample.Sf_category sample _Sample.Sf_framecode sample1 _Sample.Entry_ID 5392 _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 UBF1 '[U-15N; U-13C]' . . 1 $UBF1 . . 3 . . mM . . . . 5392 1 2 NaPO4 . . . . . . . 45 . . mM . . . . 5392 1 3 H20 . . . . . . . 90 . . % . . . . 5392 1 4 D20 . . . . . . . 10 . . % . . . . 5392 1 stop_ save_ save_sample2 _Sample.Sf_category sample _Sample.Sf_framecode sample2 _Sample.Entry_ID 5392 _Sample.ID 2 _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 UBF1 '[U-15N; U-13C]' . . 1 $UBF1 . . 3 . . mM . . . . 5392 2 2 NaPO4 . . . . . . . 45 . . mM . . . . 5392 2 3 D20 . . . . . . . 100 . . % . . . . 5392 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 5392 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.5 . n/a 5392 1 temperature 300 . K 5392 1 'ionic strength' 45 . mM 5392 1 pressure 1 . atm 5392 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 5392 _Software.ID 1 _Software.Name NMRPipe _Software.Version . _Software.Details 'F.Delagio and A.Bax' loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 5392 1 stop_ save_ save_PIPP _Software.Sf_category software _Software.Sf_framecode PIPP _Software.Entry_ID 5392 _Software.ID 2 _Software.Name PIPP _Software.Version . _Software.Details D.S.Garrett loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 5392 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 5392 _Software.ID 3 _Software.Name CNS _Software.Version 1.0 _Software.Details A.T.Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 5392 3 refinement 5392 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 5392 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 5392 _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 Bruker DMX . 500 . . . 5392 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 5392 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5392 1 2 '3D 13C-separated-NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 5392 1 stop_ save_ save_NMR_spec_expt__0_1 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_1 _NMR_spec_expt.Entry_ID 5392 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 5392 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated-NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.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 5392 _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 H2O 'methyl protons' . . . . ppm 4.730 internal direct 1.0 internal cyclindrical parallel_to_Bo . . . . . . 5392 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 5392 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 5392 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_chemical_shift1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift1 _Assigned_chem_shift_list.Entry_ID 5392 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample1 . 5392 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY CA C 13 44.79 0.1 . 1 . . . . . . . . 5392 1 2 . 1 1 1 1 GLY HA2 H 1 3.95 0.05 . 1 . . . . . . . . 5392 1 3 . 1 1 1 1 GLY C C 13 173.74 0.1 . 1 . . . . . . . . 5392 1 4 . 1 1 2 2 LYS N N 15 121.07 0.1 . 1 . . . . . . . . 5392 1 5 . 1 1 2 2 LYS H H 1 8.09 0.05 . 1 . . . . . . . . 5392 1 6 . 1 1 2 2 LYS CA C 13 55.72 0.1 . 1 . . . . . . . . 5392 1 7 . 1 1 2 2 LYS HA H 1 4.32 0.05 . 1 . . . . . . . . 5392 1 8 . 1 1 2 2 LYS CB C 13 33.08 0.1 . 1 . . . . . . . . 5392 1 9 . 1 1 2 2 LYS HB2 H 1 1.74 0.05 . 1 . . . . . . . . 5392 1 10 . 1 1 2 2 LYS C C 13 175.79 0.1 . 1 . . . . . . . . 5392 1 11 . 1 1 2 2 LYS CG C 13 24.52 0.1 . 1 . . . . . . . . 5392 1 12 . 1 1 2 2 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . 5392 1 13 . 1 1 2 2 LYS CD C 13 29.21 0.1 . 1 . . . . . . . . 5392 1 14 . 1 1 2 2 LYS HD2 H 1 1.64 0.05 . 1 . . . . . . . . 5392 1 15 . 1 1 2 2 LYS CE C 13 42.21 0.1 . 1 . . . . . . . . 5392 1 16 . 1 1 2 2 LYS HE2 H 1 2.95 0.05 . 1 . . . . . . . . 5392 1 17 . 1 1 3 3 LEU N N 15 124.25 0.1 . 1 . . . . . . . . 5392 1 18 . 1 1 3 3 LEU H H 1 8.25 0.05 . 1 . . . . . . . . 5392 1 19 . 1 1 3 3 LEU CA C 13 52.84 0.1 . 1 . . . . . . . . 5392 1 20 . 1 1 3 3 LEU HA H 1 4.60 0.05 . 1 . . . . . . . . 5392 1 21 . 1 1 3 3 LEU CB C 13 41.75 0.1 . 1 . . . . . . . . 5392 1 22 . 1 1 3 3 LEU HB2 H 1 1.62 0.05 . 1 . . . . . . . . 5392 1 23 . 1 1 3 3 LEU CG C 13 27.21 0.1 . 1 . . . . . . . . 5392 1 24 . 1 1 3 3 LEU HG H 1 1.68 0.05 . 1 . . . . . . . . 5392 1 25 . 1 1 3 3 LEU CD1 C 13 25.15 0.1 . 1 . . . . . . . . 5392 1 26 . 1 1 3 3 LEU CD2 C 13 23.46 0.1 . 1 . . . . . . . . 5392 1 27 . 1 1 3 3 LEU HD11 H 1 0.94 0.05 . 1 . . . . . . . . 5392 1 28 . 1 1 3 3 LEU HD12 H 1 0.94 0.05 . 1 . . . . . . . . 5392 1 29 . 1 1 3 3 LEU HD13 H 1 0.94 0.05 . 1 . . . . . . . . 5392 1 30 . 1 1 3 3 LEU HD21 H 1 0.90 0.05 . 1 . . . . . . . . 5392 1 31 . 1 1 3 3 LEU HD22 H 1 0.90 0.05 . 1 . . . . . . . . 5392 1 32 . 1 1 3 3 LEU HD23 H 1 0.90 0.05 . 1 . . . . . . . . 5392 1 33 . 1 1 4 4 PRO CA C 13 62.13 0.1 . 1 . . . . . . . . 5392 1 34 . 1 1 4 4 PRO HA H 1 4.41 0.05 . 1 . . . . . . . . 5392 1 35 . 1 1 4 4 PRO CB C 13 31.69 0.1 . 1 . . . . . . . . 5392 1 36 . 1 1 4 4 PRO HB2 H 1 2.59 0.05 . 2 . . . . . . . . 5392 1 37 . 1 1 4 4 PRO HB3 H 1 1.80 0.05 . 2 . . . . . . . . 5392 1 38 . 1 1 4 4 PRO C C 13 176.01 0.1 . 1 . . . . . . . . 5392 1 39 . 1 1 4 4 PRO CG C 13 27.58 0.1 . 1 . . . . . . . . 5392 1 40 . 1 1 4 4 PRO HG2 H 1 1.68 0.05 . 1 . . . . . . . . 5392 1 41 . 1 1 4 4 PRO CD C 13 50.71 0.1 . 1 . . . . . . . . 5392 1 42 . 1 1 4 4 PRO HD2 H 1 3.40 0.05 . 1 . . . . . . . . 5392 1 43 . 1 1 5 5 GLU N N 15 122.05 0.1 . 1 . . . . . . . . 5392 1 44 . 1 1 5 5 GLU H H 1 8.95 0.05 . 1 . . . . . . . . 5392 1 45 . 1 1 5 5 GLU CA C 13 56.40 0.1 . 1 . . . . . . . . 5392 1 46 . 1 1 5 5 GLU HA H 1 4.17 0.05 . 1 . . . . . . . . 5392 1 47 . 1 1 5 5 GLU CB C 13 29.76 0.1 . 1 . . . . . . . . 5392 1 48 . 1 1 5 5 GLU HB2 H 1 1.92 0.05 . 2 . . . . . . . . 5392 1 49 . 1 1 5 5 GLU HB3 H 1 1.98 0.05 . 2 . . . . . . . . 5392 1 50 . 1 1 5 5 GLU C C 13 177.73 0.1 . 1 . . . . . . . . 5392 1 51 . 1 1 5 5 GLU CG C 13 36.21 0.1 . 1 . . . . . . . . 5392 1 52 . 1 1 5 5 GLU HG2 H 1 2.36 0.05 . 1 . . . . . . . . 5392 1 53 . 1 1 6 6 SER N N 15 121.03 0.1 . 1 . . . . . . . . 5392 1 54 . 1 1 6 6 SER H H 1 8.66 0.05 . 1 . . . . . . . . 5392 1 55 . 1 1 6 6 SER CA C 13 57.93 0.1 . 1 . . . . . . . . 5392 1 56 . 1 1 6 6 SER HA H 1 4.03 0.05 . 1 . . . . . . . . 5392 1 57 . 1 1 6 6 SER CB C 13 61.78 0.1 . 1 . . . . . . . . 5392 1 58 . 1 1 6 6 SER HB2 H 1 3.78 0.05 . 2 . . . . . . . . 5392 1 59 . 1 1 6 6 SER HB3 H 1 3.65 0.05 . 2 . . . . . . . . 5392 1 60 . 1 1 7 7 PRO CA C 13 62.42 0.1 . 1 . . . . . . . . 5392 1 61 . 1 1 7 7 PRO HA H 1 4.35 0.05 . 1 . . . . . . . . 5392 1 62 . 1 1 7 7 PRO CB C 13 31.15 0.1 . 1 . . . . . . . . 5392 1 63 . 1 1 7 7 PRO HB2 H 1 1.86 0.05 . 2 . . . . . . . . 5392 1 64 . 1 1 7 7 PRO HB3 H 1 1.96 0.05 . 2 . . . . . . . . 5392 1 65 . 1 1 7 7 PRO C C 13 176.72 0.1 . 1 . . . . . . . . 5392 1 66 . 1 1 7 7 PRO CG C 13 24.73 0.1 . 1 . . . . . . . . 5392 1 67 . 1 1 7 7 PRO HG2 H 1 1.38 0.05 . 1 . . . . . . . . 5392 1 68 . 1 1 7 7 PRO CD C 13 50.70 0.1 . 1 . . . . . . . . 5392 1 69 . 1 1 7 7 PRO HD2 H 1 3.14 0.05 . 1 . . . . . . . . 5392 1 70 . 1 1 8 8 LYS N N 15 124.19 0.1 . 1 . . . . . . . . 5392 1 71 . 1 1 8 8 LYS H H 1 9.01 0.05 . 1 . . . . . . . . 5392 1 72 . 1 1 8 8 LYS CA C 13 55.32 0.1 . 1 . . . . . . . . 5392 1 73 . 1 1 8 8 LYS HA H 1 4.30 0.05 . 1 . . . . . . . . 5392 1 74 . 1 1 8 8 LYS CB C 13 34.39 0.1 . 1 . . . . . . . . 5392 1 75 . 1 1 8 8 LYS HB2 H 1 1.55 0.05 . 1 . . . . . . . . 5392 1 76 . 1 1 8 8 LYS C C 13 176.72 0.1 . 1 . . . . . . . . 5392 1 77 . 1 1 8 8 LYS CG C 13 24.73 0.1 . 1 . . . . . . . . 5392 1 78 . 1 1 8 8 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . 5392 1 79 . 1 1 8 8 LYS CD C 13 28.95 0.1 . 1 . . . . . . . . 5392 1 80 . 1 1 8 8 LYS HD2 H 1 1.46 0.05 . 1 . . . . . . . . 5392 1 81 . 1 1 8 8 LYS CE C 13 45.38 0.1 . 1 . . . . . . . . 5392 1 82 . 1 1 8 8 LYS HE2 H 1 2.90 0.05 . 1 . . . . . . . . 5392 1 83 . 1 1 9 9 ARG N N 15 119.96 0.1 . 1 . . . . . . . . 5392 1 84 . 1 1 9 9 ARG H H 1 8.75 0.05 . 1 . . . . . . . . 5392 1 85 . 1 1 9 9 ARG CA C 13 55.31 0.1 . 1 . . . . . . . . 5392 1 86 . 1 1 9 9 ARG HA H 1 4.35 0.05 . 1 . . . . . . . . 5392 1 87 . 1 1 9 9 ARG CB C 13 31.23 0.1 . 1 . . . . . . . . 5392 1 88 . 1 1 9 9 ARG HB2 H 1 1.62 0.05 . 2 . . . . . . . . 5392 1 89 . 1 1 9 9 ARG HB3 H 1 2.06 0.05 . 2 . . . . . . . . 5392 1 90 . 1 1 9 9 ARG C C 13 177.66 0.1 . 1 . . . . . . . . 5392 1 91 . 1 1 9 9 ARG CG C 13 28.08 0.1 . 1 . . . . . . . . 5392 1 92 . 1 1 9 9 ARG HG2 H 1 1.71 0.05 . 1 . . . . . . . . 5392 1 93 . 1 1 9 9 ARG CD C 13 43.41 0.1 . 1 . . . . . . . . 5392 1 94 . 1 1 9 9 ARG HD2 H 1 3.21 0.05 . 1 . . . . . . . . 5392 1 95 . 1 1 10 10 ALA N N 15 124.95 0.1 . 1 . . . . . . . . 5392 1 96 . 1 1 10 10 ALA H H 1 9.05 0.05 . 1 . . . . . . . . 5392 1 97 . 1 1 10 10 ALA CA C 13 56.25 0.1 . 1 . . . . . . . . 5392 1 98 . 1 1 10 10 ALA HA H 1 3.92 0.05 . 1 . . . . . . . . 5392 1 99 . 1 1 10 10 ALA CB C 13 18.73 0.1 . 1 . . . . . . . . 5392 1 100 . 1 1 10 10 ALA HB1 H 1 1.60 0.05 . 1 . . . . . . . . 5392 1 101 . 1 1 10 10 ALA HB2 H 1 1.60 0.05 . 1 . . . . . . . . 5392 1 102 . 1 1 10 10 ALA HB3 H 1 1.60 0.05 . 1 . . . . . . . . 5392 1 103 . 1 1 10 10 ALA C C 13 177.98 0.1 . 1 . . . . . . . . 5392 1 104 . 1 1 11 11 GLU N N 15 115.45 0.1 . 1 . . . . . . . . 5392 1 105 . 1 1 11 11 GLU H H 1 8.86 0.05 . 1 . . . . . . . . 5392 1 106 . 1 1 11 11 GLU CA C 13 58.32 0.1 . 1 . . . . . . . . 5392 1 107 . 1 1 11 11 GLU HA H 1 2.05 0.05 . 1 . . . . . . . . 5392 1 108 . 1 1 11 11 GLU CB C 13 28.80 0.1 . 1 . . . . . . . . 5392 1 109 . 1 1 11 11 GLU HB2 H 1 1.04 0.05 . 2 . . . . . . . . 5392 1 110 . 1 1 11 11 GLU HB3 H 1 0.97 0.05 . 2 . . . . . . . . 5392 1 111 . 1 1 11 11 GLU C C 13 178.02 0.1 . 1 . . . . . . . . 5392 1 112 . 1 1 11 11 GLU CG C 13 34.36 0.1 . 1 . . . . . . . . 5392 1 113 . 1 1 11 11 GLU HG2 H 1 1.54 0.05 . 1 . . . . . . . . 5392 1 114 . 1 1 12 12 GLU N N 15 117.00 0.1 . 1 . . . . . . . . 5392 1 115 . 1 1 12 12 GLU H H 1 6.73 0.05 . 1 . . . . . . . . 5392 1 116 . 1 1 12 12 GLU CA C 13 58.39 0.1 . 1 . . . . . . . . 5392 1 117 . 1 1 12 12 GLU HA H 1 3.76 0.05 . 1 . . . . . . . . 5392 1 118 . 1 1 12 12 GLU CB C 13 30.10 0.1 . 1 . . . . . . . . 5392 1 119 . 1 1 12 12 GLU HB2 H 1 2.20 0.05 . 2 . . . . . . . . 5392 1 120 . 1 1 12 12 GLU HB3 H 1 1.91 0.05 . 2 . . . . . . . . 5392 1 121 . 1 1 12 12 GLU C C 13 178.81 0.1 . 1 . . . . . . . . 5392 1 122 . 1 1 12 12 GLU CG C 13 37.13 0.1 . 1 . . . . . . . . 5392 1 123 . 1 1 12 12 GLU HG2 H 1 2.09 0.05 . 1 . . . . . . . . 5392 1 124 . 1 1 13 13 ILE N N 15 121.47 0.1 . 1 . . . . . . . . 5392 1 125 . 1 1 13 13 ILE H H 1 7.89 0.05 . 1 . . . . . . . . 5392 1 126 . 1 1 13 13 ILE CA C 13 65.36 0.1 . 1 . . . . . . . . 5392 1 127 . 1 1 13 13 ILE HA H 1 3.59 0.05 . 1 . . . . . . . . 5392 1 128 . 1 1 13 13 ILE CB C 13 38.46 0.1 . 1 . . . . . . . . 5392 1 129 . 1 1 13 13 ILE HB H 1 2.05 0.05 . 1 . . . . . . . . 5392 1 130 . 1 1 13 13 ILE C C 13 178.72 0.1 . 1 . . . . . . . . 5392 1 131 . 1 1 13 13 ILE CG1 C 13 29.24 0.1 . 1 . . . . . . . . 5392 1 132 . 1 1 13 13 ILE CG2 C 13 18.18 0.1 . 1 . . . . . . . . 5392 1 133 . 1 1 13 13 ILE HG12 H 1 1.80 0.05 . 1 . . . . . . . . 5392 1 134 . 1 1 13 13 ILE HG21 H 1 1.28 0.05 . 1 . . . . . . . . 5392 1 135 . 1 1 13 13 ILE HG22 H 1 1.28 0.05 . 1 . . . . . . . . 5392 1 136 . 1 1 13 13 ILE HG23 H 1 1.28 0.05 . 1 . . . . . . . . 5392 1 137 . 1 1 13 13 ILE CD1 C 13 13.27 0.1 . 1 . . . . . . . . 5392 1 138 . 1 1 13 13 ILE HD11 H 1 0.84 0.05 . 1 . . . . . . . . 5392 1 139 . 1 1 13 13 ILE HD12 H 1 0.84 0.05 . 1 . . . . . . . . 5392 1 140 . 1 1 13 13 ILE HD13 H 1 0.84 0.05 . 1 . . . . . . . . 5392 1 141 . 1 1 14 14 TRP N N 15 122.11 0.1 . 1 . . . . . . . . 5392 1 142 . 1 1 14 14 TRP H H 1 8.03 0.05 . 1 . . . . . . . . 5392 1 143 . 1 1 14 14 TRP CA C 13 61.79 0.1 . 1 . . . . . . . . 5392 1 144 . 1 1 14 14 TRP HA H 1 2.61 0.05 . 1 . . . . . . . . 5392 1 145 . 1 1 14 14 TRP CB C 13 27.28 0.1 . 1 . . . . . . . . 5392 1 146 . 1 1 14 14 TRP HB2 H 1 1.93 0.05 . 1 . . . . . . . . 5392 1 147 . 1 1 14 14 TRP C C 13 178.90 0.1 . 1 . . . . . . . . 5392 1 148 . 1 1 14 14 TRP NE1 N 15 131.09 0.1 . 1 . . . . . . . . 5392 1 149 . 1 1 14 14 TRP HH2 H 1 7.17 0.05 . 1 . . . . . . . . 5392 1 150 . 1 1 14 14 TRP HD1 H 1 5.97 0.05 . 1 . . . . . . . . 5392 1 151 . 1 1 14 14 TRP HZ2 H 1 7.57 0.05 . 1 . . . . . . . . 5392 1 152 . 1 1 14 14 TRP HZ3 H 1 6.88 0.05 . 1 . . . . . . . . 5392 1 153 . 1 1 14 14 TRP HE1 H 1 10.22 0.05 . 1 . . . . . . . . 5392 1 154 . 1 1 14 14 TRP HE3 H 1 6.28 0.05 . 1 . . . . . . . . 5392 1 155 . 1 1 15 15 GLN N N 15 118.91 0.1 . 1 . . . . . . . . 5392 1 156 . 1 1 15 15 GLN H H 1 8.47 0.05 . 1 . . . . . . . . 5392 1 157 . 1 1 15 15 GLN CA C 13 58.66 0.1 . 1 . . . . . . . . 5392 1 158 . 1 1 15 15 GLN HA H 1 2.81 0.05 . 1 . . . . . . . . 5392 1 159 . 1 1 15 15 GLN CB C 13 27.73 0.1 . 1 . . . . . . . . 5392 1 160 . 1 1 15 15 GLN HB2 H 1 1.48 0.05 . 1 . . . . . . . . 5392 1 161 . 1 1 15 15 GLN C C 13 177.85 0.1 . 1 . . . . . . . . 5392 1 162 . 1 1 15 15 GLN CG C 13 34.03 0.1 . 1 . . . . . . . . 5392 1 163 . 1 1 15 15 GLN HG2 H 1 2.15 0.05 . 1 . . . . . . . . 5392 1 164 . 1 1 15 15 GLN CD C 13 179.30 0.1 . 1 . . . . . . . . 5392 1 165 . 1 1 15 15 GLN NE2 N 15 109.35 0.1 . 1 . . . . . . . . 5392 1 166 . 1 1 15 15 GLN HE21 H 1 6.54 0.05 . 2 . . . . . . . . 5392 1 167 . 1 1 15 15 GLN HE22 H 1 7.45 0.05 . 2 . . . . . . . . 5392 1 168 . 1 1 16 16 GLN N N 15 114.50 0.1 . 1 . . . . . . . . 5392 1 169 . 1 1 16 16 GLN H H 1 7.49 0.05 . 1 . . . . . . . . 5392 1 170 . 1 1 16 16 GLN CA C 13 57.99 0.1 . 1 . . . . . . . . 5392 1 171 . 1 1 16 16 GLN HA H 1 3.80 0.05 . 1 . . . . . . . . 5392 1 172 . 1 1 16 16 GLN CB C 13 27.86 0.1 . 1 . . . . . . . . 5392 1 173 . 1 1 16 16 GLN HB2 H 1 2.05 0.05 . 1 . . . . . . . . 5392 1 174 . 1 1 16 16 GLN C C 13 177.42 0.1 . 1 . . . . . . . . 5392 1 175 . 1 1 16 16 GLN CG C 13 33.90 0.1 . 1 . . . . . . . . 5392 1 176 . 1 1 16 16 GLN HG2 H 1 2.42 0.05 . 2 . . . . . . . . 5392 1 177 . 1 1 16 16 GLN HG3 H 1 2.47 0.05 . 2 . . . . . . . . 5392 1 178 . 1 1 16 16 GLN CD C 13 179.30 0.1 . 1 . . . . . . . . 5392 1 179 . 1 1 16 16 GLN NE2 N 15 109.35 0.1 . 1 . . . . . . . . 5392 1 180 . 1 1 16 16 GLN HE21 H 1 6.54 0.05 . 2 . . . . . . . . 5392 1 181 . 1 1 16 16 GLN HE22 H 1 7.45 0.05 . 2 . . . . . . . . 5392 1 182 . 1 1 17 17 SER N N 15 114.38 0.1 . 1 . . . . . . . . 5392 1 183 . 1 1 17 17 SER H H 1 7.44 0.05 . 1 . . . . . . . . 5392 1 184 . 1 1 17 17 SER CA C 13 60.58 0.1 . 1 . . . . . . . . 5392 1 185 . 1 1 17 17 SER HA H 1 4.34 0.05 . 1 . . . . . . . . 5392 1 186 . 1 1 17 17 SER CB C 13 63.66 0.1 . 1 . . . . . . . . 5392 1 187 . 1 1 17 17 SER HB2 H 1 4.04 0.05 . 1 . . . . . . . . 5392 1 188 . 1 1 17 17 SER HB3 H 1 3.95 0.05 . 1 . . . . . . . . 5392 1 189 . 1 1 17 17 SER C C 13 175.88 0.1 . 1 . . . . . . . . 5392 1 190 . 1 1 18 18 VAL N N 15 111.48 0.1 . 1 . . . . . . . . 5392 1 191 . 1 1 18 18 VAL H H 1 6.81 0.05 . 1 . . . . . . . . 5392 1 192 . 1 1 18 18 VAL CA C 13 61.65 0.1 . 1 . . . . . . . . 5392 1 193 . 1 1 18 18 VAL HA H 1 4.68 0.05 . 1 . . . . . . . . 5392 1 194 . 1 1 18 18 VAL CB C 13 33.12 0.1 . 1 . . . . . . . . 5392 1 195 . 1 1 18 18 VAL HB H 1 2.41 0.05 . 1 . . . . . . . . 5392 1 196 . 1 1 18 18 VAL C C 13 178.20 0.1 . 1 . . . . . . . . 5392 1 197 . 1 1 18 18 VAL CG1 C 13 20.48 0.1 . 1 . . . . . . . . 5392 1 198 . 1 1 18 18 VAL CG2 C 13 16.90 0.1 . 1 . . . . . . . . 5392 1 199 . 1 1 18 18 VAL HG11 H 1 0.56 0.05 . 1 . . . . . . . . 5392 1 200 . 1 1 18 18 VAL HG12 H 1 0.56 0.05 . 1 . . . . . . . . 5392 1 201 . 1 1 18 18 VAL HG13 H 1 0.56 0.05 . 1 . . . . . . . . 5392 1 202 . 1 1 18 18 VAL HG21 H 1 -0.34 0.05 . 1 . . . . . . . . 5392 1 203 . 1 1 18 18 VAL HG22 H 1 -0.34 0.05 . 1 . . . . . . . . 5392 1 204 . 1 1 18 18 VAL HG23 H 1 -0.34 0.05 . 1 . . . . . . . . 5392 1 205 . 1 1 19 19 ILE N N 15 123.52 0.1 . 1 . . . . . . . . 5392 1 206 . 1 1 19 19 ILE H H 1 7.99 0.05 . 1 . . . . . . . . 5392 1 207 . 1 1 19 19 ILE CA C 13 64.23 0.1 . 1 . . . . . . . . 5392 1 208 . 1 1 19 19 ILE HA H 1 4.11 0.05 . 1 . . . . . . . . 5392 1 209 . 1 1 19 19 ILE CB C 13 36.73 0.1 . 1 . . . . . . . . 5392 1 210 . 1 1 19 19 ILE HB H 1 1.80 0.05 . 1 . . . . . . . . 5392 1 211 . 1 1 19 19 ILE C C 13 175.87 0.1 . 1 . . . . . . . . 5392 1 212 . 1 1 19 19 ILE CG1 C 13 29.10 0.1 . 1 . . . . . . . . 5392 1 213 . 1 1 19 19 ILE CG2 C 13 16.29 0.1 . 1 . . . . . . . . 5392 1 214 . 1 1 19 19 ILE HG13 H 1 1.13 0.05 . 2 . . . . . . . . 5392 1 215 . 1 1 19 19 ILE HG12 H 1 1.22 0.05 . 2 . . . . . . . . 5392 1 216 . 1 1 19 19 ILE HG21 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 217 . 1 1 19 19 ILE HG22 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 218 . 1 1 19 19 ILE HG23 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 219 . 1 1 19 19 ILE CD1 C 13 14.16 0.1 . 1 . . . . . . . . 5392 1 220 . 1 1 19 19 ILE HD11 H 1 0.72 0.05 . 1 . . . . . . . . 5392 1 221 . 1 1 19 19 ILE HD12 H 1 0.72 0.05 . 1 . . . . . . . . 5392 1 222 . 1 1 19 19 ILE HD13 H 1 0.72 0.05 . 1 . . . . . . . . 5392 1 223 . 1 1 20 20 GLY N N 15 109.45 0.1 . 1 . . . . . . . . 5392 1 224 . 1 1 20 20 GLY H H 1 8.47 0.05 . 1 . . . . . . . . 5392 1 225 . 1 1 20 20 GLY CA C 13 47.14 0.1 . 1 . . . . . . . . 5392 1 226 . 1 1 20 20 GLY HA2 H 1 3.83 0.05 . 2 . . . . . . . . 5392 1 227 . 1 1 20 20 GLY HA3 H 1 3.72 0.05 . 2 . . . . . . . . 5392 1 228 . 1 1 20 20 GLY C C 13 176.91 0.1 . 1 . . . . . . . . 5392 1 229 . 1 1 21 21 ASP N N 15 122.56 0.1 . 1 . . . . . . . . 5392 1 230 . 1 1 21 21 ASP H H 1 7.79 0.05 . 1 . . . . . . . . 5392 1 231 . 1 1 21 21 ASP CA C 13 56.86 0.1 . 1 . . . . . . . . 5392 1 232 . 1 1 21 21 ASP HA H 1 4.43 0.05 . 1 . . . . . . . . 5392 1 233 . 1 1 21 21 ASP CB C 13 40.90 0.1 . 1 . . . . . . . . 5392 1 234 . 1 1 21 21 ASP HB2 H 1 2.66 0.05 . 2 . . . . . . . . 5392 1 235 . 1 1 21 21 ASP HB3 H 1 2.82 0.05 . 2 . . . . . . . . 5392 1 236 . 1 1 21 21 ASP C C 13 179.05 0.1 . 1 . . . . . . . . 5392 1 237 . 1 1 22 22 TYR N N 15 119.61 0.1 . 1 . . . . . . . . 5392 1 238 . 1 1 22 22 TYR HD1 H 1 7.31 0.05 . 1 . . . . . . . . 5392 1 239 . 1 1 22 22 TYR HD2 H 1 7.31 0.05 . 1 . . . . . . . . 5392 1 240 . 1 1 22 22 TYR H H 1 8.08 0.05 . 1 . . . . . . . . 5392 1 241 . 1 1 22 22 TYR HE1 H 1 6.78 0.05 . 1 . . . . . . . . 5392 1 242 . 1 1 22 22 TYR HE2 H 1 6.78 0.05 . 1 . . . . . . . . 5392 1 243 . 1 1 22 22 TYR CA C 13 63.00 0.1 . 1 . . . . . . . . 5392 1 244 . 1 1 22 22 TYR HA H 1 4.00 0.05 . 1 . . . . . . . . 5392 1 245 . 1 1 22 22 TYR CB C 13 38.72 0.1 . 1 . . . . . . . . 5392 1 246 . 1 1 22 22 TYR HB2 H 1 3.16 0.05 . 2 . . . . . . . . 5392 1 247 . 1 1 22 22 TYR HB3 H 1 2.80 0.05 . 2 . . . . . . . . 5392 1 248 . 1 1 22 22 TYR C C 13 178.49 0.1 . 1 . . . . . . . . 5392 1 249 . 1 1 23 23 LEU N N 15 119.81 0.1 . 1 . . . . . . . . 5392 1 250 . 1 1 23 23 LEU H H 1 9.22 0.05 . 1 . . . . . . . . 5392 1 251 . 1 1 23 23 LEU CA C 13 58.49 0.1 . 1 . . . . . . . . 5392 1 252 . 1 1 23 23 LEU HA H 1 3.84 0.05 . 1 . . . . . . . . 5392 1 253 . 1 1 23 23 LEU CB C 13 40.78 0.1 . 1 . . . . . . . . 5392 1 254 . 1 1 23 23 LEU HB2 H 1 1.87 0.05 . 2 . . . . . . . . 5392 1 255 . 1 1 23 23 LEU HB3 H 1 1.52 0.05 . 2 . . . . . . . . 5392 1 256 . 1 1 23 23 LEU C C 13 179.28 0.1 . 1 . . . . . . . . 5392 1 257 . 1 1 23 23 LEU CG C 13 26.66 0.1 . 1 . . . . . . . . 5392 1 258 . 1 1 23 23 LEU HG H 1 1.69 0.05 . 1 . . . . . . . . 5392 1 259 . 1 1 23 23 LEU CD1 C 13 25.67 0.1 . 1 . . . . . . . . 5392 1 260 . 1 1 23 23 LEU CD2 C 13 21.85 0.1 . 1 . . . . . . . . 5392 1 261 . 1 1 23 23 LEU HD11 H 1 0.82 0.05 . 1 . . . . . . . . 5392 1 262 . 1 1 23 23 LEU HD12 H 1 0.82 0.05 . 1 . . . . . . . . 5392 1 263 . 1 1 23 23 LEU HD13 H 1 0.82 0.05 . 1 . . . . . . . . 5392 1 264 . 1 1 23 23 LEU HD21 H 1 0.63 0.05 . 1 . . . . . . . . 5392 1 265 . 1 1 23 23 LEU HD22 H 1 0.63 0.05 . 1 . . . . . . . . 5392 1 266 . 1 1 23 23 LEU HD23 H 1 0.63 0.05 . 1 . . . . . . . . 5392 1 267 . 1 1 24 24 ALA N N 15 120.20 0.1 . 1 . . . . . . . . 5392 1 268 . 1 1 24 24 ALA H H 1 7.53 0.05 . 1 . . . . . . . . 5392 1 269 . 1 1 24 24 ALA CA C 13 54.88 0.1 . 1 . . . . . . . . 5392 1 270 . 1 1 24 24 ALA HA H 1 4.14 0.05 . 1 . . . . . . . . 5392 1 271 . 1 1 24 24 ALA CB C 13 17.52 0.1 . 1 . . . . . . . . 5392 1 272 . 1 1 24 24 ALA HB1 H 1 1.47 0.05 . 1 . . . . . . . . 5392 1 273 . 1 1 24 24 ALA HB2 H 1 1.47 0.05 . 1 . . . . . . . . 5392 1 274 . 1 1 24 24 ALA HB3 H 1 1.47 0.05 . 1 . . . . . . . . 5392 1 275 . 1 1 24 24 ALA C C 13 181.45 0.1 . 1 . . . . . . . . 5392 1 276 . 1 1 25 25 ARG N N 15 119.39 0.1 . 1 . . . . . . . . 5392 1 277 . 1 1 25 25 ARG H H 1 7.84 0.05 . 1 . . . . . . . . 5392 1 278 . 1 1 25 25 ARG CA C 13 58.67 0.1 . 1 . . . . . . . . 5392 1 279 . 1 1 25 25 ARG HA H 1 3.83 0.05 . 1 . . . . . . . . 5392 1 280 . 1 1 25 25 ARG CB C 13 30.23 0.1 . 1 . . . . . . . . 5392 1 281 . 1 1 25 25 ARG HB2 H 1 1.40 0.05 . 2 . . . . . . . . 5392 1 282 . 1 1 25 25 ARG HB3 H 1 1.61 0.05 . 2 . . . . . . . . 5392 1 283 . 1 1 25 25 ARG C C 13 177.49 0.1 . 1 . . . . . . . . 5392 1 284 . 1 1 25 25 ARG CG C 13 26.84 0.1 . 1 . . . . . . . . 5392 1 285 . 1 1 25 25 ARG HG2 H 1 0.95 0.05 . 2 . . . . . . . . 5392 1 286 . 1 1 25 25 ARG HG3 H 1 1.38 0.05 . 2 . . . . . . . . 5392 1 287 . 1 1 25 25 ARG CD C 13 43.75 0.1 . 1 . . . . . . . . 5392 1 288 . 1 1 25 25 ARG HD2 H 1 2.70 0.05 . 2 . . . . . . . . 5392 1 289 . 1 1 25 25 ARG HD3 H 1 2.78 0.05 . 2 . . . . . . . . 5392 1 290 . 1 1 26 26 PHE N N 15 114.39 0.1 . 1 . . . . . . . . 5392 1 291 . 1 1 26 26 PHE H H 1 7.70 0.05 . 1 . . . . . . . . 5392 1 292 . 1 1 26 26 PHE CA C 13 58.05 0.1 . 1 . . . . . . . . 5392 1 293 . 1 1 26 26 PHE HD1 H 1 7.53 0.05 . 1 . . . . . . . . 5392 1 294 . 1 1 26 26 PHE HD2 H 1 7.53 0.05 . 1 . . . . . . . . 5392 1 295 . 1 1 26 26 PHE HE1 H 1 7.31 0.05 . 1 . . . . . . . . 5392 1 296 . 1 1 26 26 PHE HE2 H 1 7.31 0.05 . 1 . . . . . . . . 5392 1 297 . 1 1 26 26 PHE HA H 1 4.63 0.05 . 1 . . . . . . . . 5392 1 298 . 1 1 26 26 PHE CB C 13 37.59 0.1 . 1 . . . . . . . . 5392 1 299 . 1 1 26 26 PHE HB2 H 1 2.67 0.05 . 2 . . . . . . . . 5392 1 300 . 1 1 26 26 PHE HB3 H 1 3.62 0.05 . 2 . . . . . . . . 5392 1 301 . 1 1 26 26 PHE C C 13 175.16 0.1 . 1 . . . . . . . . 5392 1 302 . 1 1 27 27 LYS N N 15 119.13 0.1 . 1 . . . . . . . . 5392 1 303 . 1 1 27 27 LYS H H 1 7.85 0.05 . 1 . . . . . . . . 5392 1 304 . 1 1 27 27 LYS CA C 13 57.26 0.1 . 1 . . . . . . . . 5392 1 305 . 1 1 27 27 LYS HA H 1 3.92 0.05 . 1 . . . . . . . . 5392 1 306 . 1 1 27 27 LYS CB C 13 28.92 0.1 . 1 . . . . . . . . 5392 1 307 . 1 1 27 27 LYS HB2 H 1 1.89 0.05 . 1 . . . . . . . . 5392 1 308 . 1 1 27 27 LYS C C 13 176.16 0.1 . 1 . . . . . . . . 5392 1 309 . 1 1 27 27 LYS CG C 13 25.07 0.1 . 1 . . . . . . . . 5392 1 310 . 1 1 27 27 LYS HG2 H 1 0.77 0.05 . 2 . . . . . . . . 5392 1 311 . 1 1 27 27 LYS HG3 H 1 1.34 0.05 . 2 . . . . . . . . 5392 1 312 . 1 1 27 27 LYS CD C 13 29.16 0.1 . 1 . . . . . . . . 5392 1 313 . 1 1 27 27 LYS HD2 H 1 1.67 0.05 . 1 . . . . . . . . 5392 1 314 . 1 1 27 27 LYS CE C 13 42.28 0.1 . 1 . . . . . . . . 5392 1 315 . 1 1 27 27 LYS HE2 H 1 2.98 0.05 . 1 . . . . . . . . 5392 1 316 . 1 1 28 28 ASN N N 15 109.93 0.1 . 1 . . . . . . . . 5392 1 317 . 1 1 28 28 ASN H H 1 9.36 0.05 . 1 . . . . . . . . 5392 1 318 . 1 1 28 28 ASN CA C 13 54.54 0.1 . 1 . . . . . . . . 5392 1 319 . 1 1 28 28 ASN HA H 1 4.00 0.05 . 1 . . . . . . . . 5392 1 320 . 1 1 28 28 ASN CB C 13 37.17 0.1 . 1 . . . . . . . . 5392 1 321 . 1 1 28 28 ASN HB2 H 1 3.08 0.05 . 2 . . . . . . . . 5392 1 322 . 1 1 28 28 ASN HB3 H 1 2.90 0.05 . 2 . . . . . . . . 5392 1 323 . 1 1 28 28 ASN C C 13 173.66 0.1 . 1 . . . . . . . . 5392 1 324 . 1 1 28 28 ASN CG C 13 178.35 0.1 . 1 . . . . . . . . 5392 1 325 . 1 1 28 28 ASN ND2 N 15 112.31 0.1 . 1 . . . . . . . . 5392 1 326 . 1 1 28 28 ASN HD21 H 1 7.54 0.05 . 2 . . . . . . . . 5392 1 327 . 1 1 28 28 ASN HD22 H 1 6.76 0.05 . 2 . . . . . . . . 5392 1 328 . 1 1 29 29 ASP N N 15 119.21 0.1 . 1 . . . . . . . . 5392 1 329 . 1 1 29 29 ASP H H 1 7.55 0.05 . 1 . . . . . . . . 5392 1 330 . 1 1 29 29 ASP CA C 13 53.35 0.1 . 1 . . . . . . . . 5392 1 331 . 1 1 29 29 ASP HA H 1 4.66 0.05 . 1 . . . . . . . . 5392 1 332 . 1 1 29 29 ASP CB C 13 40.49 0.1 . 1 . . . . . . . . 5392 1 333 . 1 1 29 29 ASP HB2 H 1 3.23 0.05 . 2 . . . . . . . . 5392 1 334 . 1 1 29 29 ASP HB3 H 1 2.58 0.05 . 2 . . . . . . . . 5392 1 335 . 1 1 29 29 ASP C C 13 175.38 0.1 . 1 . . . . . . . . 5392 1 336 . 1 1 30 30 ARG N N 15 127.23 0.1 . 1 . . . . . . . . 5392 1 337 . 1 1 30 30 ARG H H 1 8.38 0.05 . 1 . . . . . . . . 5392 1 338 . 1 1 30 30 ARG CA C 13 59.44 0.1 . 1 . . . . . . . . 5392 1 339 . 1 1 30 30 ARG HA H 1 3.66 0.05 . 1 . . . . . . . . 5392 1 340 . 1 1 30 30 ARG CB C 13 30.30 0.1 . 1 . . . . . . . . 5392 1 341 . 1 1 30 30 ARG HB2 H 1 1.77 0.05 . 1 . . . . . . . . 5392 1 342 . 1 1 30 30 ARG C C 13 177.45 0.1 . 1 . . . . . . . . 5392 1 343 . 1 1 30 30 ARG CG C 13 27.81 0.1 . 1 . . . . . . . . 5392 1 344 . 1 1 30 30 ARG HG2 H 1 1.54 0.05 . 1 . . . . . . . . 5392 1 345 . 1 1 30 30 ARG CD C 13 42.97 0.1 . 1 . . . . . . . . 5392 1 346 . 1 1 30 30 ARG HD2 H 1 3.15 0.05 . 1 . . . . . . . . 5392 1 347 . 1 1 31 31 VAL N N 15 118.55 0.1 . 1 . . . . . . . . 5392 1 348 . 1 1 31 31 VAL H H 1 7.82 0.05 . 1 . . . . . . . . 5392 1 349 . 1 1 31 31 VAL CA C 13 66.31 0.1 . 1 . . . . . . . . 5392 1 350 . 1 1 31 31 VAL HA H 1 3.50 0.05 . 1 . . . . . . . . 5392 1 351 . 1 1 31 31 VAL CB C 13 31.20 0.1 . 1 . . . . . . . . 5392 1 352 . 1 1 31 31 VAL HB H 1 2.15 0.05 . 1 . . . . . . . . 5392 1 353 . 1 1 31 31 VAL C C 13 173.18 0.1 . 1 . . . . . . . . 5392 1 354 . 1 1 31 31 VAL CG1 C 13 22.73 0.1 . 1 . . . . . . . . 5392 1 355 . 1 1 31 31 VAL CG2 C 13 20.27 0.1 . 1 . . . . . . . . 5392 1 356 . 1 1 31 31 VAL HG11 H 1 0.99 0.05 . 1 . . . . . . . . 5392 1 357 . 1 1 31 31 VAL HG12 H 1 0.99 0.05 . 1 . . . . . . . . 5392 1 358 . 1 1 31 31 VAL HG13 H 1 0.99 0.05 . 1 . . . . . . . . 5392 1 359 . 1 1 31 31 VAL HG21 H 1 0.85 0.05 . 1 . . . . . . . . 5392 1 360 . 1 1 31 31 VAL HG22 H 1 0.85 0.05 . 1 . . . . . . . . 5392 1 361 . 1 1 31 31 VAL HG23 H 1 0.85 0.05 . 1 . . . . . . . . 5392 1 362 . 1 1 32 32 LYS N N 15 119.34 0.1 . 1 . . . . . . . . 5392 1 363 . 1 1 32 32 LYS H H 1 7.60 0.05 . 1 . . . . . . . . 5392 1 364 . 1 1 32 32 LYS CA C 13 59.34 0.1 . 1 . . . . . . . . 5392 1 365 . 1 1 32 32 LYS HA H 1 3.65 0.05 . 1 . . . . . . . . 5392 1 366 . 1 1 32 32 LYS CB C 13 32.78 0.1 . 1 . . . . . . . . 5392 1 367 . 1 1 32 32 LYS HB2 H 1 1.26 0.05 . 2 . . . . . . . . 5392 1 368 . 1 1 32 32 LYS HB3 H 1 1.51 0.05 . 2 . . . . . . . . 5392 1 369 . 1 1 32 32 LYS C C 13 179.29 0.1 . 1 . . . . . . . . 5392 1 370 . 1 1 32 32 LYS CG C 13 26.25 0.1 . 1 . . . . . . . . 5392 1 371 . 1 1 32 32 LYS HG2 H 1 1.14 0.05 . 2 . . . . . . . . 5392 1 372 . 1 1 32 32 LYS HG3 H 1 1.42 0.05 . 2 . . . . . . . . 5392 1 373 . 1 1 32 32 LYS CD C 13 30.26 0.1 . 1 . . . . . . . . 5392 1 374 . 1 1 32 32 LYS HD2 H 1 1.65 0.05 . 1 . . . . . . . . 5392 1 375 . 1 1 32 32 LYS CE C 13 42.08 0.1 . 1 . . . . . . . . 5392 1 376 . 1 1 32 32 LYS HE2 H 1 2.97 0.05 . 1 . . . . . . . . 5392 1 377 . 1 1 33 33 ALA N N 15 120.87 0.1 . 1 . . . . . . . . 5392 1 378 . 1 1 33 33 ALA H H 1 8.19 0.05 . 1 . . . . . . . . 5392 1 379 . 1 1 33 33 ALA CA C 13 55.34 0.1 . 1 . . . . . . . . 5392 1 380 . 1 1 33 33 ALA HA H 1 3.70 0.05 . 1 . . . . . . . . 5392 1 381 . 1 1 33 33 ALA CB C 13 17.88 0.1 . 1 . . . . . . . . 5392 1 382 . 1 1 33 33 ALA HB1 H 1 1.32 0.05 . 1 . . . . . . . . 5392 1 383 . 1 1 33 33 ALA HB2 H 1 1.32 0.05 . 1 . . . . . . . . 5392 1 384 . 1 1 33 33 ALA HB3 H 1 1.32 0.05 . 1 . . . . . . . . 5392 1 385 . 1 1 33 33 ALA C C 13 178.46 0.1 . 1 . . . . . . . . 5392 1 386 . 1 1 34 34 LEU N N 15 117.82 0.1 . 1 . . . . . . . . 5392 1 387 . 1 1 34 34 LEU H H 1 8.28 0.05 . 1 . . . . . . . . 5392 1 388 . 1 1 34 34 LEU CA C 13 57.85 0.1 . 1 . . . . . . . . 5392 1 389 . 1 1 34 34 LEU HA H 1 3.95 0.05 . 1 . . . . . . . . 5392 1 390 . 1 1 34 34 LEU CB C 13 40.90 0.1 . 1 . . . . . . . . 5392 1 391 . 1 1 34 34 LEU HB2 H 1 1.73 0.05 . 2 . . . . . . . . 5392 1 392 . 1 1 34 34 LEU HB3 H 1 1.47 0.05 . 2 . . . . . . . . 5392 1 393 . 1 1 34 34 LEU C C 13 179.85 0.1 . 1 . . . . . . . . 5392 1 394 . 1 1 34 34 LEU CG C 13 27.42 0.1 . 1 . . . . . . . . 5392 1 395 . 1 1 34 34 LEU HG H 1 1.64 0.05 . 1 . . . . . . . . 5392 1 396 . 1 1 34 34 LEU CD1 C 13 24.56 0.1 . 1 . . . . . . . . 5392 1 397 . 1 1 34 34 LEU CD2 C 13 22.80 0.1 . 1 . . . . . . . . 5392 1 398 . 1 1 34 34 LEU HD11 H 1 0.77 0.05 . 1 . . . . . . . . 5392 1 399 . 1 1 34 34 LEU HD12 H 1 0.77 0.05 . 1 . . . . . . . . 5392 1 400 . 1 1 34 34 LEU HD13 H 1 0.77 0.05 . 1 . . . . . . . . 5392 1 401 . 1 1 34 34 LEU HD21 H 1 0.74 0.05 . 1 . . . . . . . . 5392 1 402 . 1 1 34 34 LEU HD22 H 1 0.74 0.05 . 1 . . . . . . . . 5392 1 403 . 1 1 34 34 LEU HD23 H 1 0.74 0.05 . 1 . . . . . . . . 5392 1 404 . 1 1 35 35 LYS N N 15 119.50 0.1 . 1 . . . . . . . . 5392 1 405 . 1 1 35 35 LYS H H 1 7.60 0.05 . 1 . . . . . . . . 5392 1 406 . 1 1 35 35 LYS CA C 13 58.46 0.1 . 1 . . . . . . . . 5392 1 407 . 1 1 35 35 LYS HA H 1 4.05 0.05 . 1 . . . . . . . . 5392 1 408 . 1 1 35 35 LYS CB C 13 31.53 0.1 . 1 . . . . . . . . 5392 1 409 . 1 1 35 35 LYS HB2 H 1 1.77 0.05 . 1 . . . . . . . . 5392 1 410 . 1 1 35 35 LYS C C 13 179.13 0.1 . 1 . . . . . . . . 5392 1 411 . 1 1 35 35 LYS CG C 13 24.74 0.1 . 1 . . . . . . . . 5392 1 412 . 1 1 35 35 LYS HG2 H 1 1.47 0.05 . 1 . . . . . . . . 5392 1 413 . 1 1 35 35 LYS CD C 13 28.13 0.1 . 1 . . . . . . . . 5392 1 414 . 1 1 35 35 LYS HD2 H 1 1.62 0.05 . 1 . . . . . . . . 5392 1 415 . 1 1 35 35 LYS CE C 13 42.04 0.1 . 1 . . . . . . . . 5392 1 416 . 1 1 35 35 LYS HE2 H 1 2.88 0.05 . 1 . . . . . . . . 5392 1 417 . 1 1 36 36 ALA N N 15 121.97 0.1 . 1 . . . . . . . . 5392 1 418 . 1 1 36 36 ALA H H 1 7.68 0.05 . 1 . . . . . . . . 5392 1 419 . 1 1 36 36 ALA CA C 13 55.00 0.1 . 1 . . . . . . . . 5392 1 420 . 1 1 36 36 ALA HA H 1 3.93 0.05 . 1 . . . . . . . . 5392 1 421 . 1 1 36 36 ALA CB C 13 18.90 0.1 . 1 . . . . . . . . 5392 1 422 . 1 1 36 36 ALA HB1 H 1 1.62 0.05 . 1 . . . . . . . . 5392 1 423 . 1 1 36 36 ALA HB2 H 1 1.62 0.05 . 1 . . . . . . . . 5392 1 424 . 1 1 36 36 ALA HB3 H 1 1.62 0.05 . 1 . . . . . . . . 5392 1 425 . 1 1 36 36 ALA C C 13 181.07 0.1 . 1 . . . . . . . . 5392 1 426 . 1 1 37 37 MET N N 15 120.50 0.1 . 1 . . . . . . . . 5392 1 427 . 1 1 37 37 MET H H 1 8.44 0.05 . 1 . . . . . . . . 5392 1 428 . 1 1 37 37 MET CA C 13 60.21 0.1 . 1 . . . . . . . . 5392 1 429 . 1 1 37 37 MET HA H 1 3.70 0.05 . 1 . . . . . . . . 5392 1 430 . 1 1 37 37 MET CB C 13 33.25 0.1 . 1 . . . . . . . . 5392 1 431 . 1 1 37 37 MET HB2 H 1 2.05 0.05 . 2 . . . . . . . . 5392 1 432 . 1 1 37 37 MET HB3 H 1 1.99 0.05 . 2 . . . . . . . . 5392 1 433 . 1 1 37 37 MET C C 13 178.12 0.1 . 1 . . . . . . . . 5392 1 434 . 1 1 37 37 MET CG C 13 31.07 0.1 . 1 . . . . . . . . 5392 1 435 . 1 1 37 37 MET HG2 H 1 1.78 0.05 . 2 . . . . . . . . 5392 1 436 . 1 1 37 37 MET HG3 H 1 0.76 0.05 . 2 . . . . . . . . 5392 1 437 . 1 1 37 37 MET HE1 H 1 1.55 0.05 . 1 . . . . . . . . 5392 1 438 . 1 1 37 37 MET HE2 H 1 1.55 0.05 . 1 . . . . . . . . 5392 1 439 . 1 1 37 37 MET HE3 H 1 1.55 0.05 . 1 . . . . . . . . 5392 1 440 . 1 1 38 38 GLU N N 15 121.59 0.1 . 1 . . . . . . . . 5392 1 441 . 1 1 38 38 GLU H H 1 8.32 0.05 . 1 . . . . . . . . 5392 1 442 . 1 1 38 38 GLU CA C 13 59.85 0.1 . 1 . . . . . . . . 5392 1 443 . 1 1 38 38 GLU HA H 1 4.06 0.05 . 1 . . . . . . . . 5392 1 444 . 1 1 38 38 GLU CB C 13 29.53 0.1 . 1 . . . . . . . . 5392 1 445 . 1 1 38 38 GLU HB2 H 1 2.12 0.05 . 1 . . . . . . . . 5392 1 446 . 1 1 38 38 GLU C C 13 178.73 0.1 . 1 . . . . . . . . 5392 1 447 . 1 1 38 38 GLU CG C 13 36.46 0.1 . 1 . . . . . . . . 5392 1 448 . 1 1 38 38 GLU HG2 H 1 2.45 0.05 . 1 . . . . . . . . 5392 1 449 . 1 1 39 39 MET N N 15 117.92 0.1 . 1 . . . . . . . . 5392 1 450 . 1 1 39 39 MET H H 1 7.66 0.05 . 1 . . . . . . . . 5392 1 451 . 1 1 39 39 MET CA C 13 58.45 0.1 . 1 . . . . . . . . 5392 1 452 . 1 1 39 39 MET HA H 1 4.19 0.05 . 1 . . . . . . . . 5392 1 453 . 1 1 39 39 MET CB C 13 31.86 0.1 . 1 . . . . . . . . 5392 1 454 . 1 1 39 39 MET HB2 H 1 2.62 0.05 . 2 . . . . . . . . 5392 1 455 . 1 1 39 39 MET HB3 H 1 2.22 0.05 . 2 . . . . . . . . 5392 1 456 . 1 1 39 39 MET C C 13 178.58 0.1 . 1 . . . . . . . . 5392 1 457 . 1 1 39 39 MET CG C 13 32.20 0.1 . 1 . . . . . . . . 5392 1 458 . 1 1 39 39 MET HG2 H 1 2.71 0.05 . 1 . . . . . . . . 5392 1 459 . 1 1 40 40 THR N N 15 117.43 0.1 . 1 . . . . . . . . 5392 1 460 . 1 1 40 40 THR H H 1 8.33 0.05 . 1 . . . . . . . . 5392 1 461 . 1 1 40 40 THR CA C 13 66.67 0.1 . 1 . . . . . . . . 5392 1 462 . 1 1 40 40 THR HA H 1 3.92 0.05 . 1 . . . . . . . . 5392 1 463 . 1 1 40 40 THR CB C 13 68.82 0.1 . 1 . . . . . . . . 5392 1 464 . 1 1 40 40 THR HB H 1 4.53 0.05 . 1 . . . . . . . . 5392 1 465 . 1 1 40 40 THR C C 13 176.81 0.1 . 1 . . . . . . . . 5392 1 466 . 1 1 40 40 THR CG2 C 13 22.59 0.1 . 1 . . . . . . . . 5392 1 467 . 1 1 40 40 THR HG21 H 1 1.41 0.05 . 1 . . . . . . . . 5392 1 468 . 1 1 40 40 THR HG22 H 1 1.41 0.05 . 1 . . . . . . . . 5392 1 469 . 1 1 40 40 THR HG23 H 1 1.41 0.05 . 1 . . . . . . . . 5392 1 470 . 1 1 41 41 TRP N N 15 122.24 0.1 . 1 . . . . . . . . 5392 1 471 . 1 1 41 41 TRP H H 1 8.57 0.05 . 1 . . . . . . . . 5392 1 472 . 1 1 41 41 TRP CA C 13 60.11 0.1 . 1 . . . . . . . . 5392 1 473 . 1 1 41 41 TRP HA H 1 3.57 0.05 . 1 . . . . . . . . 5392 1 474 . 1 1 41 41 TRP CB C 13 28.91 0.1 . 1 . . . . . . . . 5392 1 475 . 1 1 41 41 TRP HB2 H 1 2.91 0.05 . 2 . . . . . . . . 5392 1 476 . 1 1 41 41 TRP HB3 H 1 2.99 0.05 . 2 . . . . . . . . 5392 1 477 . 1 1 41 41 TRP C C 13 178.42 0.1 . 1 . . . . . . . . 5392 1 478 . 1 1 41 41 TRP NE1 N 15 128.05 0.1 . 1 . . . . . . . . 5392 1 479 . 1 1 41 41 TRP HZ2 H 1 7.85 0.05 . 1 . . . . . . . . 5392 1 480 . 1 1 41 41 TRP HD1 H 1 5.98 0.05 . 1 . . . . . . . . 5392 1 481 . 1 1 41 41 TRP HZ3 H 1 7.43 0.05 . 1 . . . . . . . . 5392 1 482 . 1 1 41 41 TRP HH2 H 1 7.59 0.05 . 1 . . . . . . . . 5392 1 483 . 1 1 41 41 TRP HE1 H 1 9.87 0.05 . 1 . . . . . . . . 5392 1 484 . 1 1 41 41 TRP HE3 H 1 7.13 0.05 . 1 . . . . . . . . 5392 1 485 . 1 1 42 42 ASN N N 15 115.91 0.1 . 1 . . . . . . . . 5392 1 486 . 1 1 42 42 ASN H H 1 8.17 0.05 . 1 . . . . . . . . 5392 1 487 . 1 1 42 42 ASN CA C 13 55.49 0.1 . 1 . . . . . . . . 5392 1 488 . 1 1 42 42 ASN HA H 1 4.21 0.05 . 1 . . . . . . . . 5392 1 489 . 1 1 42 42 ASN CB C 13 38.00 0.1 . 1 . . . . . . . . 5392 1 490 . 1 1 42 42 ASN HB2 H 1 2.75 0.05 . 2 . . . . . . . . 5392 1 491 . 1 1 42 42 ASN HB3 H 1 2.84 0.05 . 2 . . . . . . . . 5392 1 492 . 1 1 42 42 ASN C C 13 176.56 0.1 . 1 . . . . . . . . 5392 1 493 . 1 1 42 42 ASN CG C 13 176.25 0.1 . 1 . . . . . . . . 5392 1 494 . 1 1 42 42 ASN ND2 N 15 112.43 0.1 . 1 . . . . . . . . 5392 1 495 . 1 1 42 42 ASN HD21 H 1 7.09 0.05 . 2 . . . . . . . . 5392 1 496 . 1 1 42 42 ASN HD22 H 1 7.52 0.05 . 2 . . . . . . . . 5392 1 497 . 1 1 43 43 ASN N N 15 115.83 0.1 . 1 . . . . . . . . 5392 1 498 . 1 1 43 43 ASN H H 1 7.46 0.05 . 1 . . . . . . . . 5392 1 499 . 1 1 43 43 ASN CA C 13 52.79 0.1 . 1 . . . . . . . . 5392 1 500 . 1 1 43 43 ASN HA H 1 4.66 0.05 . 1 . . . . . . . . 5392 1 501 . 1 1 43 43 ASN CB C 13 39.52 0.1 . 1 . . . . . . . . 5392 1 502 . 1 1 43 43 ASN HB2 H 1 2.63 0.05 . 2 . . . . . . . . 5392 1 503 . 1 1 43 43 ASN HB3 H 1 2.87 0.05 . 2 . . . . . . . . 5392 1 504 . 1 1 43 43 ASN C C 13 174.35 0.1 . 1 . . . . . . . . 5392 1 505 . 1 1 43 43 ASN CG C 13 177.28 0.1 . 1 . . . . . . . . 5392 1 506 . 1 1 43 43 ASN ND2 N 15 112.41 0.1 . 1 . . . . . . . . 5392 1 507 . 1 1 43 43 ASN HD21 H 1 7.63 0.05 . 2 . . . . . . . . 5392 1 508 . 1 1 43 43 ASN HD22 H 1 6.92 0.05 . 2 . . . . . . . . 5392 1 509 . 1 1 44 44 MET N N 15 123.49 0.1 . 1 . . . . . . . . 5392 1 510 . 1 1 44 44 MET H H 1 6.99 0.05 . 1 . . . . . . . . 5392 1 511 . 1 1 44 44 MET CA C 13 56.75 0.1 . 1 . . . . . . . . 5392 1 512 . 1 1 44 44 MET HA H 1 3.92 0.05 . 1 . . . . . . . . 5392 1 513 . 1 1 44 44 MET CB C 13 33.91 0.1 . 1 . . . . . . . . 5392 1 514 . 1 1 44 44 MET HB2 H 1 1.74 0.05 . 2 . . . . . . . . 5392 1 515 . 1 1 44 44 MET HB3 H 1 1.28 0.05 . 2 . . . . . . . . 5392 1 516 . 1 1 44 44 MET C C 13 175.97 0.1 . 1 . . . . . . . . 5392 1 517 . 1 1 44 44 MET CG C 13 31.30 0.1 . 1 . . . . . . . . 5392 1 518 . 1 1 44 44 MET HG2 H 1 2.39 0.05 . 1 . . . . . . . . 5392 1 519 . 1 1 45 45 GLU N N 15 125.90 0.1 . 1 . . . . . . . . 5392 1 520 . 1 1 45 45 GLU H H 1 8.87 0.05 . 1 . . . . . . . . 5392 1 521 . 1 1 45 45 GLU CA C 13 56.54 0.1 . 1 . . . . . . . . 5392 1 522 . 1 1 45 45 GLU HA H 1 4.10 0.05 . 1 . . . . . . . . 5392 1 523 . 1 1 45 45 GLU CB C 13 30.07 0.1 . 1 . . . . . . . . 5392 1 524 . 1 1 45 45 GLU HB2 H 1 2.22 0.05 . 2 . . . . . . . . 5392 1 525 . 1 1 45 45 GLU HB3 H 1 1.99 0.05 . 2 . . . . . . . . 5392 1 526 . 1 1 45 45 GLU C C 13 177.62 0.1 . 1 . . . . . . . . 5392 1 527 . 1 1 45 45 GLU CG C 13 36.76 0.1 . 1 . . . . . . . . 5392 1 528 . 1 1 45 45 GLU HG2 H 1 2.41 0.05 . 1 . . . . . . . . 5392 1 529 . 1 1 46 46 LYS N N 15 124.11 0.1 . 1 . . . . . . . . 5392 1 530 . 1 1 46 46 LYS H H 1 8.64 0.05 . 1 . . . . . . . . 5392 1 531 . 1 1 46 46 LYS CA C 13 60.35 0.1 . 1 . . . . . . . . 5392 1 532 . 1 1 46 46 LYS HA H 1 3.67 0.05 . 1 . . . . . . . . 5392 1 533 . 1 1 46 46 LYS CB C 13 31.90 0.1 . 1 . . . . . . . . 5392 1 534 . 1 1 46 46 LYS HB2 H 1 1.77 0.05 . 2 . . . . . . . . 5392 1 535 . 1 1 46 46 LYS HB3 H 1 1.82 0.05 . 2 . . . . . . . . 5392 1 536 . 1 1 46 46 LYS C C 13 178.68 0.1 . 1 . . . . . . . . 5392 1 537 . 1 1 46 46 LYS CG C 13 24.90 0.1 . 1 . . . . . . . . 5392 1 538 . 1 1 46 46 LYS HG2 H 1 1.38 0.05 . 2 . . . . . . . . 5392 1 539 . 1 1 46 46 LYS HG3 H 1 1.44 0.05 . 2 . . . . . . . . 5392 1 540 . 1 1 46 46 LYS CD C 13 29.23 0.1 . 1 . . . . . . . . 5392 1 541 . 1 1 46 46 LYS HD2 H 1 1.64 0.05 . 1 . . . . . . . . 5392 1 542 . 1 1 46 46 LYS CE C 13 41.92 0.1 . 1 . . . . . . . . 5392 1 543 . 1 1 46 46 LYS HE2 H 1 2.93 0.05 . 1 . . . . . . . . 5392 1 544 . 1 1 47 47 LYS N N 15 116.50 0.1 . 1 . . . . . . . . 5392 1 545 . 1 1 47 47 LYS H H 1 8.70 0.05 . 1 . . . . . . . . 5392 1 546 . 1 1 47 47 LYS CA C 13 59.37 0.1 . 1 . . . . . . . . 5392 1 547 . 1 1 47 47 LYS HA H 1 3.96 0.05 . 1 . . . . . . . . 5392 1 548 . 1 1 47 47 LYS CB C 13 31.62 0.1 . 1 . . . . . . . . 5392 1 549 . 1 1 47 47 LYS HB2 H 1 1.90 0.05 . 2 . . . . . . . . 5392 1 550 . 1 1 47 47 LYS HB3 H 1 1.75 0.05 . 2 . . . . . . . . 5392 1 551 . 1 1 47 47 LYS C C 13 178.26 0.1 . 1 . . . . . . . . 5392 1 552 . 1 1 47 47 LYS CG C 13 24.84 0.1 . 1 . . . . . . . . 5392 1 553 . 1 1 47 47 LYS HG2 H 1 1.36 0.05 . 1 . . . . . . . . 5392 1 554 . 1 1 47 47 LYS CD C 13 29.61 0.1 . 1 . . . . . . . . 5392 1 555 . 1 1 47 47 LYS HD2 H 1 1.66 0.05 . 1 . . . . . . . . 5392 1 556 . 1 1 47 47 LYS CE C 13 41.87 0.1 . 1 . . . . . . . . 5392 1 557 . 1 1 47 47 LYS HE2 H 1 2.95 0.05 . 1 . . . . . . . . 5392 1 558 . 1 1 48 48 GLU N N 15 119.25 0.1 . 1 . . . . . . . . 5392 1 559 . 1 1 48 48 GLU H H 1 7.21 0.05 . 1 . . . . . . . . 5392 1 560 . 1 1 48 48 GLU CA C 13 58.05 0.1 . 1 . . . . . . . . 5392 1 561 . 1 1 48 48 GLU HA H 1 4.19 0.05 . 1 . . . . . . . . 5392 1 562 . 1 1 48 48 GLU CB C 13 29.87 0.1 . 1 . . . . . . . . 5392 1 563 . 1 1 48 48 GLU HB2 H 1 2.07 0.05 . 1 . . . . . . . . 5392 1 564 . 1 1 48 48 GLU C C 13 177.88 0.1 . 1 . . . . . . . . 5392 1 565 . 1 1 48 48 GLU CG C 13 36.72 0.1 . 1 . . . . . . . . 5392 1 566 . 1 1 48 48 GLU HG2 H 1 2.53 0.05 . 2 . . . . . . . . 5392 1 567 . 1 1 48 48 GLU HG3 H 1 2.41 0.05 . 2 . . . . . . . . 5392 1 568 . 1 1 49 49 LYS N N 15 118.64 0.1 . 1 . . . . . . . . 5392 1 569 . 1 1 49 49 LYS H H 1 7.86 0.05 . 1 . . . . . . . . 5392 1 570 . 1 1 49 49 LYS CA C 13 59.58 0.1 . 1 . . . . . . . . 5392 1 571 . 1 1 49 49 LYS HA H 1 4.04 0.05 . 1 . . . . . . . . 5392 1 572 . 1 1 49 49 LYS CB C 13 32.21 0.1 . 1 . . . . . . . . 5392 1 573 . 1 1 49 49 LYS HB2 H 1 1.37 0.05 . 2 . . . . . . . . 5392 1 574 . 1 1 49 49 LYS HB3 H 1 1.58 0.05 . 2 . . . . . . . . 5392 1 575 . 1 1 49 49 LYS C C 13 178.65 0.1 . 1 . . . . . . . . 5392 1 576 . 1 1 49 49 LYS CG C 13 25.45 0.1 . 1 . . . . . . . . 5392 1 577 . 1 1 49 49 LYS HG2 H 1 0.65 0.05 . 2 . . . . . . . . 5392 1 578 . 1 1 49 49 LYS HG3 H 1 0.81 0.05 . 2 . . . . . . . . 5392 1 579 . 1 1 49 49 LYS CD C 13 28.67 0.1 . 1 . . . . . . . . 5392 1 580 . 1 1 49 49 LYS HD2 H 1 0.99 0.05 . 2 . . . . . . . . 5392 1 581 . 1 1 49 49 LYS HD3 H 1 1.04 0.05 . 2 . . . . . . . . 5392 1 582 . 1 1 49 49 LYS CE C 13 41.80 0.1 . 1 . . . . . . . . 5392 1 583 . 1 1 49 49 LYS HE2 H 1 1.86 0.05 . 2 . . . . . . . . 5392 1 584 . 1 1 49 49 LYS HE3 H 1 0.95 0.05 . 2 . . . . . . . . 5392 1 585 . 1 1 50 50 LEU N N 15 117.61 0.1 . 1 . . . . . . . . 5392 1 586 . 1 1 50 50 LEU H H 1 7.86 0.05 . 1 . . . . . . . . 5392 1 587 . 1 1 50 50 LEU CA C 13 58.01 0.1 . 1 . . . . . . . . 5392 1 588 . 1 1 50 50 LEU HA H 1 4.02 0.05 . 1 . . . . . . . . 5392 1 589 . 1 1 50 50 LEU CB C 13 41.63 0.1 . 1 . . . . . . . . 5392 1 590 . 1 1 50 50 LEU HB2 H 1 1.57 0.05 . 2 . . . . . . . . 5392 1 591 . 1 1 50 50 LEU HB3 H 1 1.75 0.05 . 2 . . . . . . . . 5392 1 592 . 1 1 50 50 LEU C C 13 178.79 0.1 . 1 . . . . . . . . 5392 1 593 . 1 1 50 50 LEU CG C 13 26.83 0.1 . 1 . . . . . . . . 5392 1 594 . 1 1 50 50 LEU HG H 1 1.75 0.05 . 1 . . . . . . . . 5392 1 595 . 1 1 50 50 LEU CD1 C 13 24.34 0.1 . 1 . . . . . . . . 5392 1 596 . 1 1 50 50 LEU CD2 C 13 23.60 0.1 . 1 . . . . . . . . 5392 1 597 . 1 1 50 50 LEU HD11 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 598 . 1 1 50 50 LEU HD12 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 599 . 1 1 50 50 LEU HD13 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 600 . 1 1 50 50 LEU HD21 H 1 0.57 0.05 . 1 . . . . . . . . 5392 1 601 . 1 1 50 50 LEU HD22 H 1 0.57 0.05 . 1 . . . . . . . . 5392 1 602 . 1 1 50 50 LEU HD23 H 1 0.57 0.05 . 1 . . . . . . . . 5392 1 603 . 1 1 51 51 MET N N 15 117.37 0.1 . 1 . . . . . . . . 5392 1 604 . 1 1 51 51 MET H H 1 7.85 0.05 . 1 . . . . . . . . 5392 1 605 . 1 1 51 51 MET CA C 13 58.63 0.1 . 1 . . . . . . . . 5392 1 606 . 1 1 51 51 MET HA H 1 3.99 0.05 . 1 . . . . . . . . 5392 1 607 . 1 1 51 51 MET CB C 13 31.34 0.1 . 1 . . . . . . . . 5392 1 608 . 1 1 51 51 MET HB2 H 1 1.85 0.05 . 2 . . . . . . . . 5392 1 609 . 1 1 51 51 MET HB3 H 1 1.64 0.05 . 2 . . . . . . . . 5392 1 610 . 1 1 51 51 MET C C 13 178.01 0.1 . 1 . . . . . . . . 5392 1 611 . 1 1 51 51 MET CG C 13 30.92 0.1 . 1 . . . . . . . . 5392 1 612 . 1 1 51 51 MET HG2 H 1 1.97 0.05 . 1 . . . . . . . . 5392 1 613 . 1 1 52 52 TRP N N 15 122.80 0.1 . 1 . . . . . . . . 5392 1 614 . 1 1 52 52 TRP H H 1 7.26 0.05 . 1 . . . . . . . . 5392 1 615 . 1 1 52 52 TRP CA C 13 58.87 0.1 . 1 . . . . . . . . 5392 1 616 . 1 1 52 52 TRP HA H 1 4.50 0.05 . 1 . . . . . . . . 5392 1 617 . 1 1 52 52 TRP CB C 13 29.25 0.1 . 1 . . . . . . . . 5392 1 618 . 1 1 52 52 TRP HB2 H 1 3.55 0.05 . 1 . . . . . . . . 5392 1 619 . 1 1 52 52 TRP C C 13 178.28 0.1 . 1 . . . . . . . . 5392 1 620 . 1 1 52 52 TRP NE1 N 15 131.23 0.1 . 1 . . . . . . . . 5392 1 621 . 1 1 52 52 TRP HZ2 H 1 7.45 0.05 . 1 . . . . . . . . 5392 1 622 . 1 1 52 52 TRP HZ3 H 1 5.93 0.05 . 1 . . . . . . . . 5392 1 623 . 1 1 52 52 TRP HH2 H 1 6.92 0.05 . 1 . . . . . . . . 5392 1 624 . 1 1 52 52 TRP HD1 H 1 7.54 0.05 . 1 . . . . . . . . 5392 1 625 . 1 1 52 52 TRP HE3 H 1 7.16 0.05 . 1 . . . . . . . . 5392 1 626 . 1 1 52 52 TRP HE1 H 1 10.99 0.05 . 1 . . . . . . . . 5392 1 627 . 1 1 53 53 ILE N N 15 122.66 0.1 . 1 . . . . . . . . 5392 1 628 . 1 1 53 53 ILE H H 1 8.41 0.05 . 1 . . . . . . . . 5392 1 629 . 1 1 53 53 ILE CA C 13 65.53 0.1 . 1 . . . . . . . . 5392 1 630 . 1 1 53 53 ILE HA H 1 3.87 0.05 . 1 . . . . . . . . 5392 1 631 . 1 1 53 53 ILE CB C 13 38.22 0.1 . 1 . . . . . . . . 5392 1 632 . 1 1 53 53 ILE HB H 1 2.06 0.05 . 1 . . . . . . . . 5392 1 633 . 1 1 53 53 ILE C C 13 179.43 0.1 . 1 . . . . . . . . 5392 1 634 . 1 1 53 53 ILE CG1 C 13 29.21 0.1 . 1 . . . . . . . . 5392 1 635 . 1 1 53 53 ILE HG13 H 1 1.81 0.05 . 2 . . . . . . . . 5392 1 636 . 1 1 53 53 ILE HG12 H 1 1.28 0.05 . 2 . . . . . . . . 5392 1 637 . 1 1 53 53 ILE HG21 H 1 1.01 0.05 . 1 . . . . . . . . 5392 1 638 . 1 1 53 53 ILE HG22 H 1 1.01 0.05 . 1 . . . . . . . . 5392 1 639 . 1 1 53 53 ILE HG23 H 1 1.01 0.05 . 1 . . . . . . . . 5392 1 640 . 1 1 53 53 ILE CG2 C 13 16.77 0.1 . 1 . . . . . . . . 5392 1 641 . 1 1 53 53 ILE CD1 C 13 13.23 0.1 . 1 . . . . . . . . 5392 1 642 . 1 1 53 53 ILE HD11 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 643 . 1 1 53 53 ILE HD12 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 644 . 1 1 53 53 ILE HD13 H 1 0.89 0.05 . 1 . . . . . . . . 5392 1 645 . 1 1 54 54 LYS N N 15 121.93 0.1 . 1 . . . . . . . . 5392 1 646 . 1 1 54 54 LYS H H 1 8.41 0.05 . 1 . . . . . . . . 5392 1 647 . 1 1 54 54 LYS CA C 13 59.70 0.1 . 1 . . . . . . . . 5392 1 648 . 1 1 54 54 LYS HA H 1 4.24 0.05 . 1 . . . . . . . . 5392 1 649 . 1 1 54 54 LYS CB C 13 31.90 0.1 . 1 . . . . . . . . 5392 1 650 . 1 1 54 54 LYS HB2 H 1 1.92 0.05 . 2 . . . . . . . . 5392 1 651 . 1 1 54 54 LYS HB3 H 1 1.64 0.05 . 2 . . . . . . . . 5392 1 652 . 1 1 54 54 LYS C C 13 179.53 0.1 . 1 . . . . . . . . 5392 1 653 . 1 1 54 54 LYS CG C 13 25.36 0.1 . 1 . . . . . . . . 5392 1 654 . 1 1 54 54 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . 5392 1 655 . 1 1 54 54 LYS CD C 13 29.11 0.1 . 1 . . . . . . . . 5392 1 656 . 1 1 54 54 LYS HD2 H 1 1.63 0.05 . 1 . . . . . . . . 5392 1 657 . 1 1 54 54 LYS CE C 13 42.07 0.1 . 1 . . . . . . . . 5392 1 658 . 1 1 54 54 LYS HE2 H 1 2.91 0.05 . 1 . . . . . . . . 5392 1 659 . 1 1 55 55 LYS N N 15 119.37 0.1 . 1 . . . . . . . . 5392 1 660 . 1 1 55 55 LYS H H 1 7.73 0.05 . 1 . . . . . . . . 5392 1 661 . 1 1 55 55 LYS CA C 13 59.65 0.1 . 1 . . . . . . . . 5392 1 662 . 1 1 55 55 LYS HA H 1 4.15 0.05 . 1 . . . . . . . . 5392 1 663 . 1 1 55 55 LYS CB C 13 32.38 0.1 . 1 . . . . . . . . 5392 1 664 . 1 1 55 55 LYS HB2 H 1 2.05 0.05 . 2 . . . . . . . . 5392 1 665 . 1 1 55 55 LYS HB3 H 1 2.17 0.05 . 2 . . . . . . . . 5392 1 666 . 1 1 55 55 LYS C C 13 179.96 0.1 . 1 . . . . . . . . 5392 1 667 . 1 1 55 55 LYS CG C 13 25.90 0.1 . 1 . . . . . . . . 5392 1 668 . 1 1 55 55 LYS HG2 H 1 1.54 0.05 . 2 . . . . . . . . 5392 1 669 . 1 1 55 55 LYS HG3 H 1 1.61 0.05 . 2 . . . . . . . . 5392 1 670 . 1 1 55 55 LYS CD C 13 29.73 0.1 . 1 . . . . . . . . 5392 1 671 . 1 1 55 55 LYS HD2 H 1 1.51 0.05 . 1 . . . . . . . . 5392 1 672 . 1 1 55 55 LYS CE C 13 41.88 0.1 . 1 . . . . . . . . 5392 1 673 . 1 1 55 55 LYS HE2 H 1 2.65 0.05 . 2 . . . . . . . . 5392 1 674 . 1 1 55 55 LYS HE3 H 1 2.73 0.05 . 2 . . . . . . . . 5392 1 675 . 1 1 56 56 ALA N N 15 124.38 0.1 . 1 . . . . . . . . 5392 1 676 . 1 1 56 56 ALA H H 1 8.42 0.05 . 1 . . . . . . . . 5392 1 677 . 1 1 56 56 ALA CA C 13 55.24 0.1 . 1 . . . . . . . . 5392 1 678 . 1 1 56 56 ALA HA H 1 4.17 0.05 . 1 . . . . . . . . 5392 1 679 . 1 1 56 56 ALA CB C 13 17.43 0.1 . 1 . . . . . . . . 5392 1 680 . 1 1 56 56 ALA HB1 H 1 1.64 0.05 . 1 . . . . . . . . 5392 1 681 . 1 1 56 56 ALA HB2 H 1 1.64 0.05 . 1 . . . . . . . . 5392 1 682 . 1 1 56 56 ALA HB3 H 1 1.64 0.05 . 1 . . . . . . . . 5392 1 683 . 1 1 56 56 ALA C C 13 180.29 0.1 . 1 . . . . . . . . 5392 1 684 . 1 1 57 57 ALA N N 15 124.77 0.1 . 1 . . . . . . . . 5392 1 685 . 1 1 57 57 ALA H H 1 8.29 0.05 . 1 . . . . . . . . 5392 1 686 . 1 1 57 57 ALA CA C 13 55.21 0.1 . 1 . . . . . . . . 5392 1 687 . 1 1 57 57 ALA HA H 1 4.30 0.05 . 1 . . . . . . . . 5392 1 688 . 1 1 57 57 ALA CB C 13 17.26 0.1 . 1 . . . . . . . . 5392 1 689 . 1 1 57 57 ALA HB1 H 1 1.61 0.05 . 1 . . . . . . . . 5392 1 690 . 1 1 57 57 ALA HB2 H 1 1.61 0.05 . 1 . . . . . . . . 5392 1 691 . 1 1 57 57 ALA HB3 H 1 1.61 0.05 . 1 . . . . . . . . 5392 1 692 . 1 1 57 57 ALA C C 13 181.47 0.1 . 1 . . . . . . . . 5392 1 693 . 1 1 58 58 GLU N N 15 119.25 0.1 . 1 . . . . . . . . 5392 1 694 . 1 1 58 58 GLU H H 1 8.23 0.05 . 1 . . . . . . . . 5392 1 695 . 1 1 58 58 GLU CA C 13 58.86 0.1 . 1 . . . . . . . . 5392 1 696 . 1 1 58 58 GLU HA H 1 4.09 0.05 . 1 . . . . . . . . 5392 1 697 . 1 1 58 58 GLU CB C 13 28.93 0.1 . 1 . . . . . . . . 5392 1 698 . 1 1 58 58 GLU HB2 H 1 2.24 0.05 . 2 . . . . . . . . 5392 1 699 . 1 1 58 58 GLU HB3 H 1 2.13 0.05 . 2 . . . . . . . . 5392 1 700 . 1 1 58 58 GLU C C 13 179.37 0.1 . 1 . . . . . . . . 5392 1 701 . 1 1 58 58 GLU CG C 13 36.37 0.1 . 1 . . . . . . . . 5392 1 702 . 1 1 58 58 GLU HG2 H 1 2.48 0.05 . 2 . . . . . . . . 5392 1 703 . 1 1 58 58 GLU HG3 H 1 2.34 0.05 . 2 . . . . . . . . 5392 1 704 . 1 1 59 59 ASP N N 15 122.46 0.1 . 1 . . . . . . . . 5392 1 705 . 1 1 59 59 ASP H H 1 8.25 0.05 . 1 . . . . . . . . 5392 1 706 . 1 1 59 59 ASP CA C 13 56.98 0.1 . 1 . . . . . . . . 5392 1 707 . 1 1 59 59 ASP HA H 1 4.87 0.05 . 1 . . . . . . . . 5392 1 708 . 1 1 59 59 ASP CB C 13 41.29 0.1 . 1 . . . . . . . . 5392 1 709 . 1 1 59 59 ASP HB2 H 1 2.89 0.05 . 2 . . . . . . . . 5392 1 710 . 1 1 59 59 ASP HB3 H 1 2.76 0.05 . 2 . . . . . . . . 5392 1 711 . 1 1 59 59 ASP C C 13 178.11 0.1 . 1 . . . . . . . . 5392 1 712 . 1 1 60 60 GLN N N 15 119.92 0.1 . 1 . . . . . . . . 5392 1 713 . 1 1 60 60 GLN H H 1 8.07 0.05 . 1 . . . . . . . . 5392 1 714 . 1 1 60 60 GLN CA C 13 58.74 0.1 . 1 . . . . . . . . 5392 1 715 . 1 1 60 60 GLN HA H 1 4.01 0.05 . 1 . . . . . . . . 5392 1 716 . 1 1 60 60 GLN CB C 13 27.30 0.1 . 1 . . . . . . . . 5392 1 717 . 1 1 60 60 GLN HB2 H 1 2.27 0.05 . 1 . . . . . . . . 5392 1 718 . 1 1 60 60 GLN C C 13 177.98 0.1 . 1 . . . . . . . . 5392 1 719 . 1 1 60 60 GLN CG C 13 32.86 0.1 . 1 . . . . . . . . 5392 1 720 . 1 1 60 60 GLN HG2 H 1 2.42 0.05 . 1 . . . . . . . . 5392 1 721 . 1 1 60 60 GLN CD C 13 179.31 0.1 . 1 . . . . . . . . 5392 1 722 . 1 1 60 60 GLN NE2 N 15 112.21 0.1 . 1 . . . . . . . . 5392 1 723 . 1 1 60 60 GLN HE22 H 1 6.82 0.05 . 2 . . . . . . . . 5392 1 724 . 1 1 60 60 GLN HE21 H 1 8.05 0.05 . 2 . . . . . . . . 5392 1 725 . 1 1 61 61 LYS N N 15 118.91 0.1 . 1 . . . . . . . . 5392 1 726 . 1 1 61 61 LYS H H 1 7.60 0.05 . 1 . . . . . . . . 5392 1 727 . 1 1 61 61 LYS CA C 13 58.91 0.1 . 1 . . . . . . . . 5392 1 728 . 1 1 61 61 LYS HA H 1 4.11 0.05 . 1 . . . . . . . . 5392 1 729 . 1 1 61 61 LYS CB C 13 31.77 0.1 . 1 . . . . . . . . 5392 1 730 . 1 1 61 61 LYS HB2 H 1 1.98 0.05 . 2 . . . . . . . . 5392 1 731 . 1 1 61 61 LYS HB3 H 1 1.92 0.05 . 2 . . . . . . . . 5392 1 732 . 1 1 61 61 LYS C C 13 179.07 0.1 . 1 . . . . . . . . 5392 1 733 . 1 1 61 61 LYS CG C 13 25.08 0.1 . 1 . . . . . . . . 5392 1 734 . 1 1 61 61 LYS HG2 H 1 1.65 0.05 . 2 . . . . . . . . 5392 1 735 . 1 1 61 61 LYS HG3 H 1 1.53 0.05 . 2 . . . . . . . . 5392 1 736 . 1 1 61 61 LYS CD C 13 29.06 0.1 . 1 . . . . . . . . 5392 1 737 . 1 1 61 61 LYS HD2 H 1 1.70 0.05 . 1 . . . . . . . . 5392 1 738 . 1 1 61 61 LYS CE C 13 42.09 0.1 . 1 . . . . . . . . 5392 1 739 . 1 1 61 61 LYS HE2 H 1 2.97 0.05 . 1 . . . . . . . . 5392 1 740 . 1 1 62 62 ARG N N 15 122.56 0.1 . 1 . . . . . . . . 5392 1 741 . 1 1 62 62 ARG H H 1 8.07 0.05 . 1 . . . . . . . . 5392 1 742 . 1 1 62 62 ARG CA C 13 59.20 0.1 . 1 . . . . . . . . 5392 1 743 . 1 1 62 62 ARG HA H 1 3.98 0.05 . 1 . . . . . . . . 5392 1 744 . 1 1 62 62 ARG CB C 13 26.96 0.1 . 1 . . . . . . . . 5392 1 745 . 1 1 62 62 ARG HB2 H 1 2.01 0.05 . 1 . . . . . . . . 5392 1 746 . 1 1 62 62 ARG C C 13 178.23 0.1 . 1 . . . . . . . . 5392 1 747 . 1 1 62 62 ARG CG C 13 25.17 0.1 . 1 . . . . . . . . 5392 1 748 . 1 1 62 62 ARG HG2 H 1 1.42 0.05 . 1 . . . . . . . . 5392 1 749 . 1 1 62 62 ARG CD C 13 45.08 0.1 . 1 . . . . . . . . 5392 1 750 . 1 1 62 62 ARG HD2 H 1 3.67 0.05 . 1 . . . . . . . . 5392 1 751 . 1 1 63 63 TYR N N 15 121.53 0.1 . 1 . . . . . . . . 5392 1 752 . 1 1 63 63 TYR H H 1 8.20 0.05 . 1 . . . . . . . . 5392 1 753 . 1 1 63 63 TYR CA C 13 61.88 0.1 . 1 . . . . . . . . 5392 1 754 . 1 1 63 63 TYR HA H 1 4.05 0.05 . 1 . . . . . . . . 5392 1 755 . 1 1 63 63 TYR CB C 13 38.52 0.1 . 1 . . . . . . . . 5392 1 756 . 1 1 63 63 TYR HB2 H 1 2.97 0.05 . 2 . . . . . . . . 5392 1 757 . 1 1 63 63 TYR HB3 H 1 3.21 0.05 . 2 . . . . . . . . 5392 1 758 . 1 1 63 63 TYR HD1 H 1 7.14 0.05 . 1 . . . . . . . . 5392 1 759 . 1 1 63 63 TYR HD2 H 1 7.14 0.05 . 1 . . . . . . . . 5392 1 760 . 1 1 63 63 TYR HE1 H 1 6.73 0.05 . 1 . . . . . . . . 5392 1 761 . 1 1 63 63 TYR HE2 H 1 6.73 0.05 . 1 . . . . . . . . 5392 1 762 . 1 1 63 63 TYR C C 13 176.19 0.1 . 1 . . . . . . . . 5392 1 763 . 1 1 64 64 GLU N N 15 117.37 0.1 . 1 . . . . . . . . 5392 1 764 . 1 1 64 64 GLU H H 1 8.29 0.05 . 1 . . . . . . . . 5392 1 765 . 1 1 64 64 GLU CA C 13 59.36 0.1 . 1 . . . . . . . . 5392 1 766 . 1 1 64 64 GLU HA H 1 3.67 0.05 . 1 . . . . . . . . 5392 1 767 . 1 1 64 64 GLU CB C 13 29.33 0.1 . 1 . . . . . . . . 5392 1 768 . 1 1 64 64 GLU HB2 H 1 2.07 0.05 . 1 . . . . . . . . 5392 1 769 . 1 1 64 64 GLU C C 13 179.73 0.1 . 1 . . . . . . . . 5392 1 770 . 1 1 64 64 GLU CG C 13 36.83 0.1 . 1 . . . . . . . . 5392 1 771 . 1 1 64 64 GLU HG2 H 1 2.70 0.05 . 2 . . . . . . . . 5392 1 772 . 1 1 64 64 GLU HG3 H 1 2.34 0.05 . 2 . . . . . . . . 5392 1 773 . 1 1 65 65 ARG N N 15 121.25 0.1 . 1 . . . . . . . . 5392 1 774 . 1 1 65 65 ARG H H 1 8.23 0.05 . 1 . . . . . . . . 5392 1 775 . 1 1 65 65 ARG CA C 13 59.28 0.1 . 1 . . . . . . . . 5392 1 776 . 1 1 65 65 ARG HA H 1 4.07 0.05 . 1 . . . . . . . . 5392 1 777 . 1 1 65 65 ARG CB C 13 29.44 0.1 . 1 . . . . . . . . 5392 1 778 . 1 1 65 65 ARG HB2 H 1 2.01 0.05 . 2 . . . . . . . . 5392 1 779 . 1 1 65 65 ARG HB3 H 1 1.92 0.05 . 2 . . . . . . . . 5392 1 780 . 1 1 65 65 ARG C C 13 179.14 0.1 . 1 . . . . . . . . 5392 1 781 . 1 1 65 65 ARG CG C 13 27.09 0.1 . 1 . . . . . . . . 5392 1 782 . 1 1 65 65 ARG HG2 H 1 1.67 0.05 . 2 . . . . . . . . 5392 1 783 . 1 1 65 65 ARG HG3 H 1 1.54 0.05 . 2 . . . . . . . . 5392 1 784 . 1 1 65 65 ARG CD C 13 43.29 0.1 . 1 . . . . . . . . 5392 1 785 . 1 1 65 65 ARG HD2 H 1 3.22 0.05 . 1 . . . . . . . . 5392 1 786 . 1 1 66 66 GLU N N 15 120.24 0.1 . 1 . . . . . . . . 5392 1 787 . 1 1 66 66 GLU H H 1 8.51 0.05 . 1 . . . . . . . . 5392 1 788 . 1 1 66 66 GLU CA C 13 59.70 0.1 . 1 . . . . . . . . 5392 1 789 . 1 1 66 66 GLU HA H 1 3.91 0.05 . 1 . . . . . . . . 5392 1 790 . 1 1 66 66 GLU CB C 13 29.68 0.1 . 1 . . . . . . . . 5392 1 791 . 1 1 66 66 GLU HB2 H 1 2.07 0.05 . 2 . . . . . . . . 5392 1 792 . 1 1 66 66 GLU HB3 H 1 1.84 0.05 . 2 . . . . . . . . 5392 1 793 . 1 1 66 66 GLU C C 13 179.97 0.1 . 1 . . . . . . . . 5392 1 794 . 1 1 66 66 GLU CG C 13 37.63 0.1 . 1 . . . . . . . . 5392 1 795 . 1 1 66 66 GLU HG2 H 1 2.13 0.05 . 2 . . . . . . . . 5392 1 796 . 1 1 66 66 GLU HG3 H 1 2.59 0.05 . 2 . . . . . . . . 5392 1 797 . 1 1 67 67 LEU N N 15 120.75 0.1 . 1 . . . . . . . . 5392 1 798 . 1 1 67 67 LEU H H 1 8.51 0.05 . 1 . . . . . . . . 5392 1 799 . 1 1 67 67 LEU CA C 13 57.52 0.1 . 1 . . . . . . . . 5392 1 800 . 1 1 67 67 LEU HA H 1 3.83 0.05 . 1 . . . . . . . . 5392 1 801 . 1 1 67 67 LEU CB C 13 41.88 0.1 . 1 . . . . . . . . 5392 1 802 . 1 1 67 67 LEU HB2 H 1 1.29 0.05 . 2 . . . . . . . . 5392 1 803 . 1 1 67 67 LEU HB3 H 1 1.38 0.05 . 2 . . . . . . . . 5392 1 804 . 1 1 67 67 LEU C C 13 179.40 0.1 . 1 . . . . . . . . 5392 1 805 . 1 1 67 67 LEU CG C 13 26.54 0.1 . 1 . . . . . . . . 5392 1 806 . 1 1 67 67 LEU HG H 1 1.24 0.05 . 1 . . . . . . . . 5392 1 807 . 1 1 67 67 LEU CD1 C 13 24.36 0.1 . 1 . . . . . . . . 5392 1 808 . 1 1 67 67 LEU CD2 C 13 24.59 0.1 . 1 . . . . . . . . 5392 1 809 . 1 1 67 67 LEU HD11 H 1 0.70 0.05 . 1 . . . . . . . . 5392 1 810 . 1 1 67 67 LEU HD12 H 1 0.70 0.05 . 1 . . . . . . . . 5392 1 811 . 1 1 67 67 LEU HD13 H 1 0.70 0.05 . 1 . . . . . . . . 5392 1 812 . 1 1 67 67 LEU HD21 H 1 0.61 0.05 . 1 . . . . . . . . 5392 1 813 . 1 1 67 67 LEU HD22 H 1 0.61 0.05 . 1 . . . . . . . . 5392 1 814 . 1 1 67 67 LEU HD23 H 1 0.61 0.05 . 1 . . . . . . . . 5392 1 815 . 1 1 68 68 SER N N 15 114.07 0.1 . 1 . . . . . . . . 5392 1 816 . 1 1 68 68 SER H H 1 7.71 0.05 . 1 . . . . . . . . 5392 1 817 . 1 1 68 68 SER CA C 13 60.98 0.1 . 1 . . . . . . . . 5392 1 818 . 1 1 68 68 SER HA H 1 4.16 0.05 . 1 . . . . . . . . 5392 1 819 . 1 1 68 68 SER CB C 13 62.92 0.1 . 1 . . . . . . . . 5392 1 820 . 1 1 68 68 SER HB2 H 1 3.98 0.05 . 1 . . . . . . . . 5392 1 821 . 1 1 68 68 SER C C 13 176.50 0.1 . 1 . . . . . . . . 5392 1 822 . 1 1 69 69 GLU N N 15 120.52 0.1 . 1 . . . . . . . . 5392 1 823 . 1 1 69 69 GLU H H 1 7.82 0.05 . 1 . . . . . . . . 5392 1 824 . 1 1 69 69 GLU CA C 13 57.59 0.1 . 1 . . . . . . . . 5392 1 825 . 1 1 69 69 GLU HA H 1 4.12 0.05 . 1 . . . . . . . . 5392 1 826 . 1 1 69 69 GLU CB C 13 29.56 0.1 . 1 . . . . . . . . 5392 1 827 . 1 1 69 69 GLU HB2 H 1 2.03 0.05 . 1 . . . . . . . . 5392 1 828 . 1 1 69 69 GLU C C 13 177.62 0.1 . 1 . . . . . . . . 5392 1 829 . 1 1 69 69 GLU CG C 13 36.49 0.1 . 1 . . . . . . . . 5392 1 830 . 1 1 69 69 GLU HG2 H 1 2.23 0.05 . 2 . . . . . . . . 5392 1 831 . 1 1 69 69 GLU HG3 H 1 2.44 0.05 . 2 . . . . . . . . 5392 1 832 . 1 1 70 70 MET N N 15 118.10 0.1 . 1 . . . . . . . . 5392 1 833 . 1 1 70 70 MET H H 1 7.65 0.05 . 1 . . . . . . . . 5392 1 834 . 1 1 70 70 MET CA C 13 56.86 0.1 . 1 . . . . . . . . 5392 1 835 . 1 1 70 70 MET HA H 1 4.26 0.05 . 1 . . . . . . . . 5392 1 836 . 1 1 70 70 MET CB C 13 32.65 0.1 . 1 . . . . . . . . 5392 1 837 . 1 1 70 70 MET HB2 H 1 2.09 0.05 . 1 . . . . . . . . 5392 1 838 . 1 1 70 70 MET C C 13 176.51 0.1 . 1 . . . . . . . . 5392 1 839 . 1 1 70 70 MET CG C 13 31.96 0.1 . 1 . . . . . . . . 5392 1 840 . 1 1 70 70 MET HG2 H 1 2.57 0.05 . 2 . . . . . . . . 5392 1 841 . 1 1 70 70 MET HG3 H 1 2.70 0.05 . 2 . . . . . . . . 5392 1 842 . 1 1 71 71 ARG N N 15 119.43 0.1 . 1 . . . . . . . . 5392 1 843 . 1 1 71 71 ARG H H 1 7.76 0.05 . 1 . . . . . . . . 5392 1 844 . 1 1 71 71 ARG CA C 13 55.86 0.1 . 1 . . . . . . . . 5392 1 845 . 1 1 71 71 ARG HA H 1 4.26 0.05 . 1 . . . . . . . . 5392 1 846 . 1 1 71 71 ARG CB C 13 30.46 0.1 . 1 . . . . . . . . 5392 1 847 . 1 1 71 71 ARG HB2 H 1 1.86 0.05 . 2 . . . . . . . . 5392 1 848 . 1 1 71 71 ARG HB3 H 1 1.75 0.05 . 2 . . . . . . . . 5392 1 849 . 1 1 71 71 ARG C C 13 175.55 0.1 . 1 . . . . . . . . 5392 1 850 . 1 1 71 71 ARG CG C 13 27.23 0.1 . 1 . . . . . . . . 5392 1 851 . 1 1 71 71 ARG HG2 H 1 1.64 0.05 . 1 . . . . . . . . 5392 1 852 . 1 1 71 71 ARG CD C 13 43.53 0.1 . 1 . . . . . . . . 5392 1 853 . 1 1 71 71 ARG HD2 H 1 3.14 0.05 . 1 . . . . . . . . 5392 1 854 . 1 1 72 72 ALA N N 15 125.57 0.1 . 1 . . . . . . . . 5392 1 855 . 1 1 72 72 ALA H H 1 7.94 0.05 . 1 . . . . . . . . 5392 1 856 . 1 1 72 72 ALA CA C 13 50.33 0.1 . 1 . . . . . . . . 5392 1 857 . 1 1 72 72 ALA HA H 1 4.55 0.05 . 1 . . . . . . . . 5392 1 858 . 1 1 72 72 ALA CB C 13 17.91 0.1 . 1 . . . . . . . . 5392 1 859 . 1 1 72 72 ALA HB1 H 1 1.32 0.05 . 1 . . . . . . . . 5392 1 860 . 1 1 72 72 ALA HB2 H 1 1.32 0.05 . 1 . . . . . . . . 5392 1 861 . 1 1 72 72 ALA HB3 H 1 1.32 0.05 . 1 . . . . . . . . 5392 1 862 . 1 1 73 73 PRO CA C 13 61.43 0.1 . 1 . . . . . . . . 5392 1 863 . 1 1 73 73 PRO HA H 1 4.67 0.05 . 1 . . . . . . . . 5392 1 864 . 1 1 73 73 PRO CB C 13 30.67 0.1 . 1 . . . . . . . . 5392 1 865 . 1 1 73 73 PRO HB2 H 1 2.32 0.05 . 2 . . . . . . . . 5392 1 866 . 1 1 73 73 PRO HB3 H 1 1.86 0.05 . 2 . . . . . . . . 5392 1 867 . 1 1 73 73 PRO CG C 13 27.31 0.1 . 1 . . . . . . . . 5392 1 868 . 1 1 73 73 PRO HG2 H 1 2.01 0.05 . 1 . . . . . . . . 5392 1 869 . 1 1 73 73 PRO CD C 13 50.38 0.1 . 1 . . . . . . . . 5392 1 870 . 1 1 73 73 PRO HD2 H 1 3.76 0.05 . 2 . . . . . . . . 5392 1 871 . 1 1 73 73 PRO HD3 H 1 3.58 0.05 . 2 . . . . . . . . 5392 1 872 . 1 1 74 74 PRO CA C 13 62.80 0.1 . 1 . . . . . . . . 5392 1 873 . 1 1 74 74 PRO HA H 1 4.36 0.05 . 1 . . . . . . . . 5392 1 874 . 1 1 74 74 PRO CB C 13 31.79 0.1 . 1 . . . . . . . . 5392 1 875 . 1 1 74 74 PRO HB2 H 1 2.25 0.05 . 2 . . . . . . . . 5392 1 876 . 1 1 74 74 PRO HB3 H 1 1.86 0.05 . 2 . . . . . . . . 5392 1 877 . 1 1 74 74 PRO CG C 13 27.32 0.1 . 1 . . . . . . . . 5392 1 878 . 1 1 74 74 PRO HG2 H 1 1.99 0.05 . 1 . . . . . . . . 5392 1 879 . 1 1 74 74 PRO CD C 13 50.22 0.1 . 1 . . . . . . . . 5392 1 880 . 1 1 74 74 PRO HD2 H 1 3.78 0.05 . 2 . . . . . . . . 5392 1 881 . 1 1 74 74 PRO HD3 H 1 3.60 0.05 . 2 . . . . . . . . 5392 1 882 . 1 1 75 75 ALA N N 15 124.17 0.1 . 1 . . . . . . . . 5392 1 883 . 1 1 75 75 ALA H H 1 8.35 0.05 . 1 . . . . . . . . 5392 1 884 . 1 1 75 75 ALA CA C 13 52.12 0.1 . 1 . . . . . . . . 5392 1 885 . 1 1 75 75 ALA HA H 1 4.23 0.05 . 1 . . . . . . . . 5392 1 886 . 1 1 75 75 ALA CB C 13 18.99 0.1 . 1 . . . . . . . . 5392 1 887 . 1 1 75 75 ALA HB1 H 1 1.34 0.05 . 1 . . . . . . . . 5392 1 888 . 1 1 75 75 ALA HB2 H 1 1.34 0.05 . 1 . . . . . . . . 5392 1 889 . 1 1 75 75 ALA HB3 H 1 1.34 0.05 . 1 . . . . . . . . 5392 1 890 . 1 1 75 75 ALA C C 13 177.66 0.1 . 1 . . . . . . . . 5392 1 891 . 1 1 76 76 ALA N N 15 123.45 0.1 . 1 . . . . . . . . 5392 1 892 . 1 1 76 76 ALA H H 1 8.33 0.05 . 1 . . . . . . . . 5392 1 893 . 1 1 76 76 ALA CA C 13 52.26 0.1 . 1 . . . . . . . . 5392 1 894 . 1 1 76 76 ALA HA H 1 4.33 0.05 . 1 . . . . . . . . 5392 1 895 . 1 1 76 76 ALA CB C 13 18.98 0.1 . 1 . . . . . . . . 5392 1 896 . 1 1 76 76 ALA HB1 H 1 1.36 0.05 . 1 . . . . . . . . 5392 1 897 . 1 1 76 76 ALA HB2 H 1 1.36 0.05 . 1 . . . . . . . . 5392 1 898 . 1 1 76 76 ALA HB3 H 1 1.36 0.05 . 1 . . . . . . . . 5392 1 899 . 1 1 76 76 ALA C C 13 178.04 0.1 . 1 . . . . . . . . 5392 1 900 . 1 1 77 77 THR N N 15 112.99 0.1 . 1 . . . . . . . . 5392 1 901 . 1 1 77 77 THR H H 1 8.11 0.05 . 1 . . . . . . . . 5392 1 902 . 1 1 77 77 THR CA C 13 61.67 0.1 . 1 . . . . . . . . 5392 1 903 . 1 1 77 77 THR HA H 1 4.28 0.05 . 1 . . . . . . . . 5392 1 904 . 1 1 77 77 THR CB C 13 69.68 0.1 . 1 . . . . . . . . 5392 1 905 . 1 1 77 77 THR HB H 1 4.20 0.05 . 1 . . . . . . . . 5392 1 906 . 1 1 77 77 THR C C 13 174.47 0.1 . 1 . . . . . . . . 5392 1 907 . 1 1 77 77 THR CG2 C 13 21.44 0.1 . 1 . . . . . . . . 5392 1 908 . 1 1 77 77 THR HG21 H 1 1.17 0.05 . 1 . . . . . . . . 5392 1 909 . 1 1 77 77 THR HG22 H 1 1.17 0.05 . 1 . . . . . . . . 5392 1 910 . 1 1 77 77 THR HG23 H 1 1.17 0.05 . 1 . . . . . . . . 5392 1 911 . 1 1 78 78 ASN N N 15 120.89 0.1 . 1 . . . . . . . . 5392 1 912 . 1 1 78 78 ASN H H 1 8.44 0.05 . 1 . . . . . . . . 5392 1 913 . 1 1 78 78 ASN CA C 13 53.25 0.1 . 1 . . . . . . . . 5392 1 914 . 1 1 78 78 ASN HA H 1 4.71 0.05 . 1 . . . . . . . . 5392 1 915 . 1 1 78 78 ASN CB C 13 38.63 0.1 . 1 . . . . . . . . 5392 1 916 . 1 1 78 78 ASN HB2 H 1 2.79 0.05 . 1 . . . . . . . . 5392 1 917 . 1 1 78 78 ASN C C 13 175.41 0.1 . 1 . . . . . . . . 5392 1 918 . 1 1 78 78 ASN CG C 13 177.08 0.1 . 1 . . . . . . . . 5392 1 919 . 1 1 78 78 ASN ND2 N 15 112.90 0.1 . 1 . . . . . . . . 5392 1 920 . 1 1 78 78 ASN HD21 H 1 7.61 0.05 . 2 . . . . . . . . 5392 1 921 . 1 1 78 78 ASN HD22 H 1 6.92 0.05 . 2 . . . . . . . . 5392 1 922 . 1 1 79 79 SER N N 15 116.36 0.1 . 1 . . . . . . . . 5392 1 923 . 1 1 79 79 SER H H 1 8.32 0.05 . 1 . . . . . . . . 5392 1 924 . 1 1 79 79 SER CA C 13 58.45 0.1 . 1 . . . . . . . . 5392 1 925 . 1 1 79 79 SER HA H 1 4.41 0.05 . 1 . . . . . . . . 5392 1 926 . 1 1 79 79 SER CB C 13 63.52 0.1 . 1 . . . . . . . . 5392 1 927 . 1 1 79 79 SER HB2 H 1 3.82 0.05 . 1 . . . . . . . . 5392 1 928 . 1 1 79 79 SER C C 13 174.78 0.1 . 1 . . . . . . . . 5392 1 929 . 1 1 80 80 SER N N 15 117.89 0.1 . 1 . . . . . . . . 5392 1 930 . 1 1 80 80 SER H H 1 8.33 0.05 . 1 . . . . . . . . 5392 1 931 . 1 1 80 80 SER CA C 13 58.57 0.1 . 1 . . . . . . . . 5392 1 932 . 1 1 80 80 SER HA H 1 4.39 0.05 . 1 . . . . . . . . 5392 1 933 . 1 1 80 80 SER CB C 13 63.47 0.1 . 1 . . . . . . . . 5392 1 934 . 1 1 80 80 SER HB2 H 1 3.85 0.05 . 1 . . . . . . . . 5392 1 935 . 1 1 80 80 SER C C 13 174.62 0.1 . 1 . . . . . . . . 5392 1 936 . 1 1 81 81 LYS N N 15 123.14 0.1 . 1 . . . . . . . . 5392 1 937 . 1 1 81 81 LYS H H 1 8.21 0.05 . 1 . . . . . . . . 5392 1 938 . 1 1 81 81 LYS CA C 13 56.23 0.1 . 1 . . . . . . . . 5392 1 939 . 1 1 81 81 LYS HA H 1 4.25 0.05 . 1 . . . . . . . . 5392 1 940 . 1 1 81 81 LYS CB C 13 32.54 0.1 . 1 . . . . . . . . 5392 1 941 . 1 1 81 81 LYS HB2 H 1 1.78 0.05 . 2 . . . . . . . . 5392 1 942 . 1 1 81 81 LYS HB3 H 1 1.69 0.05 . 2 . . . . . . . . 5392 1 943 . 1 1 81 81 LYS C C 13 176.45 0.1 . 1 . . . . . . . . 5392 1 944 . 1 1 81 81 LYS CG C 13 24.78 0.1 . 1 . . . . . . . . 5392 1 945 . 1 1 81 81 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . 5392 1 946 . 1 1 81 81 LYS CD C 13 29.01 0.1 . 1 . . . . . . . . 5392 1 947 . 1 1 81 81 LYS HD2 H 1 1.64 0.05 . 1 . . . . . . . . 5392 1 948 . 1 1 81 81 LYS CE C 13 42.22 0.1 . 1 . . . . . . . . 5392 1 949 . 1 1 81 81 LYS HE2 H 1 2.94 0.05 . 1 . . . . . . . . 5392 1 950 . 1 1 82 82 LYS N N 15 122.50 0.1 . 1 . . . . . . . . 5392 1 951 . 1 1 82 82 LYS H H 1 8.22 0.05 . 1 . . . . . . . . 5392 1 952 . 1 1 82 82 LYS CA C 13 56.18 0.1 . 1 . . . . . . . . 5392 1 953 . 1 1 82 82 LYS HA H 1 4.22 0.05 . 1 . . . . . . . . 5392 1 954 . 1 1 82 82 LYS CB C 13 32.61 0.1 . 1 . . . . . . . . 5392 1 955 . 1 1 82 82 LYS HB2 H 1 1.72 0.05 . 1 . . . . . . . . 5392 1 956 . 1 1 82 82 LYS C C 13 176.35 0.1 . 1 . . . . . . . . 5392 1 957 . 1 1 82 82 LYS CG C 13 24.80 0.1 . 1 . . . . . . . . 5392 1 958 . 1 1 82 82 LYS HG2 H 1 1.38 0.05 . 1 . . . . . . . . 5392 1 959 . 1 1 82 82 LYS CD C 13 29.15 0.1 . 1 . . . . . . . . 5392 1 960 . 1 1 82 82 LYS CE C 13 42.18 0.1 . 1 . . . . . . . . 5392 1 961 . 1 1 82 82 LYS HE2 H 1 2.94 0.05 . 1 . . . . . . . . 5392 1 962 . 1 1 83 83 LEU N N 15 123.62 0.1 . 1 . . . . . . . . 5392 1 963 . 1 1 83 83 LEU H H 1 8.22 0.05 . 1 . . . . . . . . 5392 1 964 . 1 1 83 83 LEU CA C 13 54.82 0.1 . 1 . . . . . . . . 5392 1 965 . 1 1 83 83 LEU HA H 1 4.27 0.05 . 1 . . . . . . . . 5392 1 966 . 1 1 83 83 LEU CB C 13 42.08 0.1 . 1 . . . . . . . . 5392 1 967 . 1 1 83 83 LEU HB2 H 1 1.45 0.05 . 2 . . . . . . . . 5392 1 968 . 1 1 83 83 LEU HB3 H 1 1.53 0.05 . 2 . . . . . . . . 5392 1 969 . 1 1 83 83 LEU C C 13 177.03 0.1 . 1 . . . . . . . . 5392 1 970 . 1 1 83 83 LEU CG C 13 26.97 0.1 . 1 . . . . . . . . 5392 1 971 . 1 1 83 83 LEU HG H 1 1.53 0.05 . 1 . . . . . . . . 5392 1 972 . 1 1 83 83 LEU CD1 C 13 24.70 0.1 . 1 . . . . . . . . 5392 1 973 . 1 1 83 83 LEU HD11 H 1 0.85 0.05 . 1 . . . . . . . . 5392 1 974 . 1 1 83 83 LEU HD12 H 1 0.85 0.05 . 1 . . . . . . . . 5392 1 975 . 1 1 83 83 LEU HD13 H 1 0.85 0.05 . 1 . . . . . . . . 5392 1 976 . 1 1 83 83 LEU CD2 C 13 23.44 0.1 . 1 . . . . . . . . 5392 1 977 . 1 1 83 83 LEU HD21 H 1 0.80 0.05 . 1 . . . . . . . . 5392 1 978 . 1 1 83 83 LEU HD22 H 1 0.80 0.05 . 1 . . . . . . . . 5392 1 979 . 1 1 83 83 LEU HD23 H 1 0.80 0.05 . 1 . . . . . . . . 5392 1 980 . 1 1 84 84 GLU N N 15 121.85 0.1 . 1 . . . . . . . . 5392 1 981 . 1 1 84 84 GLU H H 1 8.26 0.05 . 1 . . . . . . . . 5392 1 982 . 1 1 84 84 GLU CA C 13 56.02 0.1 . 1 . . . . . . . . 5392 1 983 . 1 1 84 84 GLU HA H 1 4.18 0.05 . 1 . . . . . . . . 5392 1 984 . 1 1 84 84 GLU CB C 13 30.38 0.1 . 1 . . . . . . . . 5392 1 985 . 1 1 84 84 GLU HB2 H 1 1.82 0.05 . 1 . . . . . . . . 5392 1 986 . 1 1 84 84 GLU C C 13 175.95 0.1 . 1 . . . . . . . . 5392 1 987 . 1 1 84 84 GLU CG C 13 36.08 0.1 . 1 . . . . . . . . 5392 1 988 . 1 1 84 84 GLU HG2 H 1 2.14 0.05 . 2 . . . . . . . . 5392 1 989 . 1 1 84 84 GLU HG3 H 1 2.11 0.05 . 2 . . . . . . . . 5392 1 stop_ save_