data_6259 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6259 _Entry.Title ; 1H, 13C, and 15N chemical shift assignments for GatB (backbone + side chains) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-07-02 _Entry.Accession_date 2004-07-06 _Entry.Last_release_date 2006-10-02 _Entry.Original_release_date 2006-10-02 _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 Laurent VOLPON . . . 6259 2 Chris YOUNG . R. . 6259 3 Kalle GEHRING . . . 6259 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6259 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 412 6259 '1H chemical shifts' 614 6259 '15N chemical shifts' 99 6259 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 . . 2006-10-02 2004-07-02 original author . 6259 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 6259 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16963640 _Citation.Full_citation . _Citation.Title ; NMR structure of the enzyme GatB of the galactitol-specific phosphoenolpyruvate-dependent phosphotransferase system and its interaction with GatA. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Protein Sci.' _Citation.Journal_name_full . _Citation.Journal_volume 15 _Citation.Journal_issue 10 _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 2435 _Citation.Page_last 2441 _Citation.Year 2006 _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 Laurent Volpon . . . 6259 1 2 Chris Young . R. . 6259 1 3 A. Matte . S. . 6259 1 4 Kalle Gehring . . . 6259 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'phosphotransferase system' 6259 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6259 _Assembly.ID 1 _Assembly.Name 'GatB monomer' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass 12462.3 _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 6259 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 'GatB monomer' 1 $GatB . . . native . . . . . 6259 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'GatB monomer' system 6259 1 GatB abbreviation 6259 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_GatB _Entity.Sf_category entity _Entity.Sf_framecode GatB _Entity.Entry_ID 6259 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name GatB _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 ; MGSSHHHHHHHHENLYFQGS KRKIIVACGGAVATSTMAAE EIKELCQSHNIPVELIQCRV NEIETYMDGVHLICTTARVD RSFGDIPLVHGMPFVSGVGI EALQNKILTILQG ; _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 113 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID 1 _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 1TVM . "Nmr Structure Of Enzyme Gatb Of The Galactitol-Specific Phosphoenolpyruvate-Dependent Phosphotransferase System" . . . . . 100.00 113 100.00 100.00 4.40e-76 . . . . 6259 1 2 no DBJ BAB36319 . "galactitol-specific enzyme IIB of phosphotransferase system [Escherichia coli O157:H7 str. Sakai]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 3 no DBJ BAG77886 . "PTS system galactitol-specific IIB component [Escherichia coli SE11]" . . . . . 69.91 89 100.00 100.00 9.23e-50 . . . . 6259 1 4 no DBJ BAH46969 . "galactitol-specific enzyme IIB component of PTS [Escherichia coli O55:H7]" . . . . . 82.30 94 98.92 100.00 1.08e-59 . . . . 6259 1 5 no DBJ BAI31343 . "galactitol-specific enzyme IIB component of PTS [Escherichia coli O103:H2 str. 12009]" . . . . . 82.30 94 98.92 98.92 7.12e-59 . . . . 6259 1 6 no DBJ BAI55515 . "PTS system galactitol-specific IIB component [Escherichia coli SE15]" . . . . . 82.30 94 97.85 100.00 5.85e-59 . . . . 6259 1 7 no EMBL CAA56229 . "gatB [Escherichia coli]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 8 no EMBL CAR03521 . "galactitol-specific enzyme IIB component of PTS [Escherichia coli S88]" . . . . . 82.30 94 97.85 100.00 6.67e-59 . . . . 6259 1 9 no EMBL CAR13613 . "galactitol-specific enzyme IIB component of PTS [Escherichia coli UMN026]" . . . . . 82.30 94 98.92 100.00 1.08e-59 . . . . 6259 1 10 no EMBL CAR17061 . "galactitol-specific enzyme IIB component of PTS [Escherichia coli IAI39]" . . . . . 82.30 94 98.92 100.00 1.76e-59 . . . . 6259 1 11 no EMBL CAS09786 . "galactitol-specific enzyme IIB component of PTS [Escherichia coli O127:H6 str. E2348/69]" . . . . . 82.30 94 98.92 98.92 2.22e-59 . . . . 6259 1 12 no GB AAG57150 . "galactitol-specific enzyme IIB of phosphotransferase system [Escherichia coli O157:H7 str. EDL933]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 13 no GB AAN43688 . "galactitol-specific enzyme IIB of phosphotransferase system [Shigella flexneri 2a str. 301]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 14 no GB AAN81074 . "PTS system, galactitol-specific IIB component [Escherichia coli CFT073]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 15 no GB AAP17514 . "galactitol-specific enzyme IIB of phosphotransferase system [Shigella flexneri 2a str. 2457T]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 16 no GB ABB62344 . "galactitol-specific enzyme IIB of phosphotransferase system [Shigella dysenteriae Sd197]" . . . . . 72.57 86 98.78 100.00 1.74e-51 . . . . 6259 1 17 no PRF 2113201D . "carbohydrate phosphotransferase II" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 18 no REF NP_288595 . "PTS system galactitol-specific transporter subunit IIB [Escherichia coli O157:H7 str. EDL933]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 19 no REF NP_310923 . "PTS system galactitol-specific transporter subunit IIB [Escherichia coli O157:H7 str. Sakai]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 20 no REF NP_707981 . "PTS system galactitol-specific transporter subunit IIB [Shigella flexneri 2a str. 301]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 21 no REF NP_754506 . "PTS system galactitol-specific transporter subunit IIB [Escherichia coli CFT073]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 22 no REF NP_837705 . "galactitol-specific PTS system component IIB [Shigella flexneri 2a str. 2457T]" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 23 no SP P0A435 . "RecName: Full=Galactitol-specific phosphotransferase enzyme IIB component; AltName: Full=EIIB-Gat; AltName: Full=PTS system gal" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 24 no SP P0A436 . "RecName: Full=Galactitol-specific phosphotransferase enzyme IIB component; AltName: Full=EIIB-Gat; AltName: Full=PTS system gal" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 25 no SP P0A437 . "RecName: Full=Galactitol-specific phosphotransferase enzyme IIB component; AltName: Full=EIIB-Gat; AltName: Full=PTS system gal" . . . . . 82.30 94 100.00 100.00 3.75e-60 . . . . 6259 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID GatB common 6259 1 GatB abbreviation 6259 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6259 1 2 . GLY . 6259 1 3 . SER . 6259 1 4 . SER . 6259 1 5 . HIS . 6259 1 6 . HIS . 6259 1 7 . HIS . 6259 1 8 . HIS . 6259 1 9 . HIS . 6259 1 10 . HIS . 6259 1 11 . HIS . 6259 1 12 . HIS . 6259 1 13 . GLU . 6259 1 14 . ASN . 6259 1 15 . LEU . 6259 1 16 . TYR . 6259 1 17 . PHE . 6259 1 18 . GLN . 6259 1 19 . GLY . 6259 1 20 . SER . 6259 1 21 . LYS . 6259 1 22 . ARG . 6259 1 23 . LYS . 6259 1 24 . ILE . 6259 1 25 . ILE . 6259 1 26 . VAL . 6259 1 27 . ALA . 6259 1 28 . CYS . 6259 1 29 . GLY . 6259 1 30 . GLY . 6259 1 31 . ALA . 6259 1 32 . VAL . 6259 1 33 . ALA . 6259 1 34 . THR . 6259 1 35 . SER . 6259 1 36 . THR . 6259 1 37 . MET . 6259 1 38 . ALA . 6259 1 39 . ALA . 6259 1 40 . GLU . 6259 1 41 . GLU . 6259 1 42 . ILE . 6259 1 43 . LYS . 6259 1 44 . GLU . 6259 1 45 . LEU . 6259 1 46 . CYS . 6259 1 47 . GLN . 6259 1 48 . SER . 6259 1 49 . HIS . 6259 1 50 . ASN . 6259 1 51 . ILE . 6259 1 52 . PRO . 6259 1 53 . VAL . 6259 1 54 . GLU . 6259 1 55 . LEU . 6259 1 56 . ILE . 6259 1 57 . GLN . 6259 1 58 . CYS . 6259 1 59 . ARG . 6259 1 60 . VAL . 6259 1 61 . ASN . 6259 1 62 . GLU . 6259 1 63 . ILE . 6259 1 64 . GLU . 6259 1 65 . THR . 6259 1 66 . TYR . 6259 1 67 . MET . 6259 1 68 . ASP . 6259 1 69 . GLY . 6259 1 70 . VAL . 6259 1 71 . HIS . 6259 1 72 . LEU . 6259 1 73 . ILE . 6259 1 74 . CYS . 6259 1 75 . THR . 6259 1 76 . THR . 6259 1 77 . ALA . 6259 1 78 . ARG . 6259 1 79 . VAL . 6259 1 80 . ASP . 6259 1 81 . ARG . 6259 1 82 . SER . 6259 1 83 . PHE . 6259 1 84 . GLY . 6259 1 85 . ASP . 6259 1 86 . ILE . 6259 1 87 . PRO . 6259 1 88 . LEU . 6259 1 89 . VAL . 6259 1 90 . HIS . 6259 1 91 . GLY . 6259 1 92 . MET . 6259 1 93 . PRO . 6259 1 94 . PHE . 6259 1 95 . VAL . 6259 1 96 . SER . 6259 1 97 . GLY . 6259 1 98 . VAL . 6259 1 99 . GLY . 6259 1 100 . ILE . 6259 1 101 . GLU . 6259 1 102 . ALA . 6259 1 103 . LEU . 6259 1 104 . GLN . 6259 1 105 . ASN . 6259 1 106 . LYS . 6259 1 107 . ILE . 6259 1 108 . LEU . 6259 1 109 . THR . 6259 1 110 . ILE . 6259 1 111 . LEU . 6259 1 112 . GLN . 6259 1 113 . GLY . 6259 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6259 1 . GLY 2 2 6259 1 . SER 3 3 6259 1 . SER 4 4 6259 1 . HIS 5 5 6259 1 . HIS 6 6 6259 1 . HIS 7 7 6259 1 . HIS 8 8 6259 1 . HIS 9 9 6259 1 . HIS 10 10 6259 1 . HIS 11 11 6259 1 . HIS 12 12 6259 1 . GLU 13 13 6259 1 . ASN 14 14 6259 1 . LEU 15 15 6259 1 . TYR 16 16 6259 1 . PHE 17 17 6259 1 . GLN 18 18 6259 1 . GLY 19 19 6259 1 . SER 20 20 6259 1 . LYS 21 21 6259 1 . ARG 22 22 6259 1 . LYS 23 23 6259 1 . ILE 24 24 6259 1 . ILE 25 25 6259 1 . VAL 26 26 6259 1 . ALA 27 27 6259 1 . CYS 28 28 6259 1 . GLY 29 29 6259 1 . GLY 30 30 6259 1 . ALA 31 31 6259 1 . VAL 32 32 6259 1 . ALA 33 33 6259 1 . THR 34 34 6259 1 . SER 35 35 6259 1 . THR 36 36 6259 1 . MET 37 37 6259 1 . ALA 38 38 6259 1 . ALA 39 39 6259 1 . GLU 40 40 6259 1 . GLU 41 41 6259 1 . ILE 42 42 6259 1 . LYS 43 43 6259 1 . GLU 44 44 6259 1 . LEU 45 45 6259 1 . CYS 46 46 6259 1 . GLN 47 47 6259 1 . SER 48 48 6259 1 . HIS 49 49 6259 1 . ASN 50 50 6259 1 . ILE 51 51 6259 1 . PRO 52 52 6259 1 . VAL 53 53 6259 1 . GLU 54 54 6259 1 . LEU 55 55 6259 1 . ILE 56 56 6259 1 . GLN 57 57 6259 1 . CYS 58 58 6259 1 . ARG 59 59 6259 1 . VAL 60 60 6259 1 . ASN 61 61 6259 1 . GLU 62 62 6259 1 . ILE 63 63 6259 1 . GLU 64 64 6259 1 . THR 65 65 6259 1 . TYR 66 66 6259 1 . MET 67 67 6259 1 . ASP 68 68 6259 1 . GLY 69 69 6259 1 . VAL 70 70 6259 1 . HIS 71 71 6259 1 . LEU 72 72 6259 1 . ILE 73 73 6259 1 . CYS 74 74 6259 1 . THR 75 75 6259 1 . THR 76 76 6259 1 . ALA 77 77 6259 1 . ARG 78 78 6259 1 . VAL 79 79 6259 1 . ASP 80 80 6259 1 . ARG 81 81 6259 1 . SER 82 82 6259 1 . PHE 83 83 6259 1 . GLY 84 84 6259 1 . ASP 85 85 6259 1 . ILE 86 86 6259 1 . PRO 87 87 6259 1 . LEU 88 88 6259 1 . VAL 89 89 6259 1 . HIS 90 90 6259 1 . GLY 91 91 6259 1 . MET 92 92 6259 1 . PRO 93 93 6259 1 . PHE 94 94 6259 1 . VAL 95 95 6259 1 . SER 96 96 6259 1 . GLY 97 97 6259 1 . VAL 98 98 6259 1 . GLY 99 99 6259 1 . ILE 100 100 6259 1 . GLU 101 101 6259 1 . ALA 102 102 6259 1 . LEU 103 103 6259 1 . GLN 104 104 6259 1 . ASN 105 105 6259 1 . LYS 106 106 6259 1 . ILE 107 107 6259 1 . LEU 108 108 6259 1 . THR 109 109 6259 1 . ILE 110 110 6259 1 . LEU 111 111 6259 1 . GLN 112 112 6259 1 . GLY 113 113 6259 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 6259 _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 $GatB . 562 organism . 'Escherichia coli' 'Escherichia coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6259 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 6259 _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 $GatB . 'recombinant technology' . 'E. coli' . . . . . . . . . . . . . . . . . . . . . . . . . . . 6259 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6259 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; Uniformly isotope-labeled protein was obtained by growing E. coli bacteria at 37????C in M9 minimal medium containing 0.5 g of 15N-NH4Cl and/or 2 g of 13C6-Glucose (Cambridge Isotope Laboratory) per liter of media and 100 mg/ml of ampicilin. The culture was then induced with 1 mM IPTG at 30??C for 4 hours. ; _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 GatB '[U-13C; U-15N]' . . 1 $GatB . . 1.0 . . mM . . . . 6259 1 2 KCl . . . . . . . 75 . . mM . . . . 6259 1 3 NaCl . . . . . . . 75 . . mM . . . . 6259 1 stop_ save_ ####################### # Sample conditions # ####################### save_Ex-cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Ex-cond_1 _Sample_condition_list.Entry_ID 6259 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.8 0.1 pH 6259 1 temperature 298 0.1 K 6259 1 pressure 1 . atm 6259 1 'ionic strength' 0.15 0.01 M 6259 1 stop_ save_ ############################ # Computer software used # ############################ save_Sparky _Software.Sf_category software _Software.Sf_framecode Sparky _Software.Entry_ID 6259 _Software.ID 1 _Software.Name Sparky _Software.Version 3.106 _Software.Details . save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer _NMR_spectrometer.Entry_ID 6259 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6259 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer Bruker AVANCE . 600 . . . 6259 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 6259 _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 '(HCCH) TOCSY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6259 1 2 HNCACB . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6259 1 3 CBCA(CO)NH . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6259 1 4 '2D NOESY' . . . . . . . . . . . 1 $sample_1 . . . 1 $Ex-cond_1 . . . 1 $spectrometer . . . . . . . . . . . . . . . . 6259 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 6259 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '(HCCH) TOCSY' _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Sparky _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 6259 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name HNCACB _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Sparky _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6259 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name CBCA(CO)NH _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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Sparky _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6259 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '2D 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 1 _NMR_spec_expt.NMR_spectrometer_label $spectrometer _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 1 _NMR_spec_expt.Software_label $Sparky _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 6259 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 water protons . . . . ppm 4.772925 external indirect . . . . 1 $citation_1 . . 1 $citation_1 6259 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.101329118 . . . 1 $citation_1 . . 1 $citation_1 6259 1 C 13 DSS 'methyl protons' . . . . ppm 0.00 external indirect 0.251449530 . . . 1 $citation_1 . . 1 $citation_1 6259 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_shifts _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shifts _Assigned_chem_shift_list.Entry_ID 6259 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Ex-cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6259 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET CA C 13 55.07 0.1 . 1 . . . . . . . . 6259 1 2 . 1 1 1 1 MET HA H 1 4.543 0.02 . 1 . . . . . . . . 6259 1 3 . 1 1 1 1 MET C C 13 174.619 0.1 . 1 . . . . . . . . 6259 1 4 . 1 1 1 1 MET CB C 13 29.05 0.1 . 1 . . . . . . . . 6259 1 5 . 1 1 1 1 MET HB2 H 1 2.696 0.02 . 1 . . . . . . . . 6259 1 6 . 1 1 1 1 MET HB3 H 1 2.638 0.02 . 1 . . . . . . . . 6259 1 7 . 1 1 2 2 GLY H H 1 7.877 0.02 . 1 . . . . . . . . 6259 1 8 . 1 1 2 2 GLY N N 15 108.5 0.1 . 1 . . . . . . . . 6259 1 9 . 1 1 2 2 GLY CA C 13 44.22 0.1 . 1 . . . . . . . . 6259 1 10 . 1 1 3 3 SER CA C 13 57.73 0.1 . 1 . . . . . . . . 6259 1 11 . 1 1 3 3 SER HA H 1 4.49 0.02 . 1 . . . . . . . . 6259 1 12 . 1 1 3 3 SER CB C 13 63.28 0.1 . 1 . . . . . . . . 6259 1 13 . 1 1 3 3 SER HB2 H 1 3.815 0.02 . 2 . . . . . . . . 6259 1 14 . 1 1 12 12 HIS CA C 13 55.24 0.1 . 1 . . . . . . . . 6259 1 15 . 1 1 12 12 HIS HA H 1 4.543 0.02 . 1 . . . . . . . . 6259 1 16 . 1 1 12 12 HIS C C 13 174.124 0.1 . 1 . . . . . . . . 6259 1 17 . 1 1 12 12 HIS CB C 13 29.21 0.1 . 1 . . . . . . . . 6259 1 18 . 1 1 12 12 HIS HB2 H 1 3.039 0.02 . 1 . . . . . . . . 6259 1 19 . 1 1 12 12 HIS HB3 H 1 2.96 0.02 . 1 . . . . . . . . 6259 1 20 . 1 1 13 13 GLU H H 1 8.456 0.02 . 1 . . . . . . . . 6259 1 21 . 1 1 13 13 GLU N N 15 120.2 0.1 . 1 . . . . . . . . 6259 1 22 . 1 1 13 13 GLU CA C 13 56.19 0.1 . 1 . . . . . . . . 6259 1 23 . 1 1 13 13 GLU HA H 1 4.195 0.02 . 1 . . . . . . . . 6259 1 24 . 1 1 13 13 GLU C C 13 175.281 0.1 . 1 . . . . . . . . 6259 1 25 . 1 1 13 13 GLU CB C 13 29.7 0.1 . 1 . . . . . . . . 6259 1 26 . 1 1 13 13 GLU HB2 H 1 1.962 0.02 . 1 . . . . . . . . 6259 1 27 . 1 1 13 13 GLU HB3 H 1 1.851 0.02 . 1 . . . . . . . . 6259 1 28 . 1 1 13 13 GLU CG C 13 35.53 0.1 . 1 . . . . . . . . 6259 1 29 . 1 1 13 13 GLU HG2 H 1 2.157 0.02 . 2 . . . . . . . . 6259 1 30 . 1 1 14 14 ASN H H 1 8.471 0.02 . 1 . . . . . . . . 6259 1 31 . 1 1 14 14 ASN N N 15 117.8 0.1 . 1 . . . . . . . . 6259 1 32 . 1 1 14 14 ASN CA C 13 52.66 0.1 . 1 . . . . . . . . 6259 1 33 . 1 1 14 14 ASN HA H 1 4.622 0.02 . 1 . . . . . . . . 6259 1 34 . 1 1 14 14 ASN C C 13 174 0.1 . 1 . . . . . . . . 6259 1 35 . 1 1 14 14 ASN CB C 13 38.14 0.1 . 1 . . . . . . . . 6259 1 36 . 1 1 14 14 ASN HB2 H 1 2.749 0.02 . 1 . . . . . . . . 6259 1 37 . 1 1 14 14 ASN HB3 H 1 2.69 0.02 . 1 . . . . . . . . 6259 1 38 . 1 1 15 15 LEU H H 1 8.05 0.02 . 1 . . . . . . . . 6259 1 39 . 1 1 15 15 LEU N N 15 120.5 0.1 . 1 . . . . . . . . 6259 1 40 . 1 1 15 15 LEU CA C 13 54.54 0.1 . 1 . . . . . . . . 6259 1 41 . 1 1 15 15 LEU HA H 1 4.2 0.02 . 1 . . . . . . . . 6259 1 42 . 1 1 15 15 LEU C C 13 176.245 0.1 . 1 . . . . . . . . 6259 1 43 . 1 1 15 15 LEU CB C 13 41.68 0.1 . 1 . . . . . . . . 6259 1 44 . 1 1 15 15 LEU HB2 H 1 1.424 0.02 . 1 . . . . . . . . 6259 1 45 . 1 1 15 15 LEU HB3 H 1 1.302 0.02 . 1 . . . . . . . . 6259 1 46 . 1 1 15 15 LEU CG C 13 26.29 0.1 . 1 . . . . . . . . 6259 1 47 . 1 1 15 15 LEU CD1 C 13 24.3 0.1 . 1 . . . . . . . . 6259 1 48 . 1 1 15 15 LEU HD11 H 1 0.762 0.02 . 2 . . . . . . . . 6259 1 49 . 1 1 15 15 LEU HD12 H 1 0.762 0.02 . 2 . . . . . . . . 6259 1 50 . 1 1 15 15 LEU HD13 H 1 0.762 0.02 . 2 . . . . . . . . 6259 1 51 . 1 1 15 15 LEU CD2 C 13 22.66 0.1 . 1 . . . . . . . . 6259 1 52 . 1 1 15 15 LEU HD21 H 1 0.764 0.02 . 2 . . . . . . . . 6259 1 53 . 1 1 15 15 LEU HD22 H 1 0.764 0.02 . 2 . . . . . . . . 6259 1 54 . 1 1 15 15 LEU HD23 H 1 0.764 0.02 . 2 . . . . . . . . 6259 1 55 . 1 1 15 15 LEU HG H 1 1.413 0.02 . 1 . . . . . . . . 6259 1 56 . 1 1 16 16 TYR H H 1 7.972 0.02 . 1 . . . . . . . . 6259 1 57 . 1 1 16 16 TYR N N 15 118.1 0.1 . 1 . . . . . . . . 6259 1 58 . 1 1 16 16 TYR CA C 13 57.2 0.1 . 1 . . . . . . . . 6259 1 59 . 1 1 16 16 TYR HA H 1 4.48 0.02 . 1 . . . . . . . . 6259 1 60 . 1 1 16 16 TYR C C 13 174.757 0.1 . 1 . . . . . . . . 6259 1 61 . 1 1 16 16 TYR CB C 13 38.18 0.1 . 1 . . . . . . . . 6259 1 62 . 1 1 16 16 TYR HB2 H 1 2.807 0.02 . 2 . . . . . . . . 6259 1 63 . 1 1 16 16 TYR HD1 H 1 6.875 0.02 . 3 . . . . . . . . 6259 1 64 . 1 1 16 16 TYR HE1 H 1 6.627 0.02 . 3 . . . . . . . . 6259 1 65 . 1 1 17 17 PHE H H 1 8.001 0.02 . 1 . . . . . . . . 6259 1 66 . 1 1 17 17 PHE N N 15 119.9 0.1 . 1 . . . . . . . . 6259 1 67 . 1 1 17 17 PHE CA C 13 57.42 0.1 . 1 . . . . . . . . 6259 1 68 . 1 1 17 17 PHE HA H 1 4.543 0.02 . 1 . . . . . . . . 6259 1 69 . 1 1 17 17 PHE C C 13 174.923 0.1 . 1 . . . . . . . . 6259 1 70 . 1 1 17 17 PHE CB C 13 38.97 0.1 . 1 . . . . . . . . 6259 1 71 . 1 1 17 17 PHE HB2 H 1 3.049 0.02 . 1 . . . . . . . . 6259 1 72 . 1 1 17 17 PHE HB3 H 1 3.007 0.02 . 1 . . . . . . . . 6259 1 73 . 1 1 17 17 PHE HD1 H 1 7.084 0.02 . 3 . . . . . . . . 6259 1 74 . 1 1 17 17 PHE HE1 H 1 7.08 0.02 . 3 . . . . . . . . 6259 1 75 . 1 1 18 18 GLN H H 1 8.224 0.02 . 1 . . . . . . . . 6259 1 76 . 1 1 18 18 GLN N N 15 120.8 0.1 . 1 . . . . . . . . 6259 1 77 . 1 1 18 18 GLN CA C 13 55.56 0.1 . 1 . . . . . . . . 6259 1 78 . 1 1 18 18 GLN HA H 1 4.216 0.02 . 1 . . . . . . . . 6259 1 79 . 1 1 18 18 GLN C C 13 175.419 0.1 . 1 . . . . . . . . 6259 1 80 . 1 1 18 18 GLN CB C 13 28.4 0.1 . 1 . . . . . . . . 6259 1 81 . 1 1 18 18 GLN HB2 H 1 2.141 0.02 . 2 . . . . . . . . 6259 1 82 . 1 1 18 18 GLN CG C 13 33.02 0.1 . 1 . . . . . . . . 6259 1 83 . 1 1 18 18 GLN HG2 H 1 2.252 0.02 . 2 . . . . . . . . 6259 1 84 . 1 1 19 19 GLY H H 1 7.772 0.02 . 1 . . . . . . . . 6259 1 85 . 1 1 19 19 GLY N N 15 107.4 0.1 . 1 . . . . . . . . 6259 1 86 . 1 1 19 19 GLY CA C 13 44.52 0.1 . 1 . . . . . . . . 6259 1 87 . 1 1 19 19 GLY HA2 H 1 4.021 0.02 . 1 . . . . . . . . 6259 1 88 . 1 1 19 19 GLY HA3 H 1 3.878 0.02 . 1 . . . . . . . . 6259 1 89 . 1 1 19 19 GLY C C 13 173.01 0.1 . 1 . . . . . . . . 6259 1 90 . 1 1 20 20 SER H H 1 8.008 0.02 . 1 . . . . . . . . 6259 1 91 . 1 1 20 20 SER N N 15 113.5 0.1 . 1 . . . . . . . . 6259 1 92 . 1 1 20 20 SER CA C 13 57.52 0.1 . 1 . . . . . . . . 6259 1 93 . 1 1 20 20 SER HA H 1 4.411 0.02 . 1 . . . . . . . . 6259 1 94 . 1 1 20 20 SER C C 13 173.407 0.1 . 1 . . . . . . . . 6259 1 95 . 1 1 20 20 SER CB C 13 63.52 0.1 . 1 . . . . . . . . 6259 1 96 . 1 1 20 20 SER HB2 H 1 3.841 0.02 . 2 . . . . . . . . 6259 1 97 . 1 1 21 21 LYS H H 1 8.141 0.02 . 1 . . . . . . . . 6259 1 98 . 1 1 21 21 LYS N N 15 120.2 0.1 . 1 . . . . . . . . 6259 1 99 . 1 1 21 21 LYS CA C 13 56.44 0.1 . 1 . . . . . . . . 6259 1 100 . 1 1 21 21 LYS HA H 1 4.079 0.02 . 1 . . . . . . . . 6259 1 101 . 1 1 21 21 LYS C C 13 176.273 0.1 . 1 . . . . . . . . 6259 1 102 . 1 1 21 21 LYS CB C 13 32.24 0.1 . 1 . . . . . . . . 6259 1 103 . 1 1 21 21 LYS HB2 H 1 1.624 0.02 . 2 . . . . . . . . 6259 1 104 . 1 1 21 21 LYS CG C 13 24.22 0.1 . 1 . . . . . . . . 6259 1 105 . 1 1 21 21 LYS HG2 H 1 1.244 0.02 . 2 . . . . . . . . 6259 1 106 . 1 1 21 21 LYS CD C 13 28.84 0.1 . 1 . . . . . . . . 6259 1 107 . 1 1 21 21 LYS HD2 H 1 1.55 0.02 . 2 . . . . . . . . 6259 1 108 . 1 1 21 21 LYS CE C 13 41.26 0.1 . 1 . . . . . . . . 6259 1 109 . 1 1 21 21 LYS HE2 H 1 2.844 0.02 . 2 . . . . . . . . 6259 1 110 . 1 1 22 22 ARG H H 1 8.374 0.02 . 1 . . . . . . . . 6259 1 111 . 1 1 22 22 ARG N N 15 122.3 0.1 . 1 . . . . . . . . 6259 1 112 . 1 1 22 22 ARG CA C 13 52.85 0.1 . 1 . . . . . . . . 6259 1 113 . 1 1 22 22 ARG HA H 1 4.665 0.02 . 1 . . . . . . . . 6259 1 114 . 1 1 22 22 ARG C C 13 173.903 0.1 . 1 . . . . . . . . 6259 1 115 . 1 1 22 22 ARG CB C 13 31.51 0.1 . 1 . . . . . . . . 6259 1 116 . 1 1 22 22 ARG HB2 H 1 1.724 0.02 . 1 . . . . . . . . 6259 1 117 . 1 1 22 22 ARG HB3 H 1 1.355 0.02 . 1 . . . . . . . . 6259 1 118 . 1 1 22 22 ARG CG C 13 26.54 0.1 . 1 . . . . . . . . 6259 1 119 . 1 1 22 22 ARG HG2 H 1 1.587 0.02 . 1 . . . . . . . . 6259 1 120 . 1 1 22 22 ARG HG3 H 1 1.302 0.02 . 1 . . . . . . . . 6259 1 121 . 1 1 22 22 ARG CD C 13 41.64 0.1 . 1 . . . . . . . . 6259 1 122 . 1 1 22 22 ARG HD2 H 1 2.574 0.02 . 1 . . . . . . . . 6259 1 123 . 1 1 22 22 ARG HD3 H 1 2.474 0.02 . 1 . . . . . . . . 6259 1 124 . 1 1 23 23 LYS H H 1 11.22 0.02 . 1 . . . . . . . . 6259 1 125 . 1 1 23 23 LYS N N 15 126.6 0.1 . 1 . . . . . . . . 6259 1 126 . 1 1 23 23 LYS CA C 13 55.2 0.1 . 1 . . . . . . . . 6259 1 127 . 1 1 23 23 LYS HA H 1 5.256 0.02 . 1 . . . . . . . . 6259 1 128 . 1 1 23 23 LYS C C 13 174.867 0.1 . 1 . . . . . . . . 6259 1 129 . 1 1 23 23 LYS CB C 13 34.32 0.1 . 1 . . . . . . . . 6259 1 130 . 1 1 23 23 LYS HB2 H 1 1.909 0.02 . 1 . . . . . . . . 6259 1 131 . 1 1 23 23 LYS HB3 H 1 1.777 0.02 . 1 . . . . . . . . 6259 1 132 . 1 1 23 23 LYS CG C 13 25.14 0.1 . 1 . . . . . . . . 6259 1 133 . 1 1 23 23 LYS HG2 H 1 1.403 0.02 . 1 . . . . . . . . 6259 1 134 . 1 1 23 23 LYS HG3 H 1 1.144 0.02 . 1 . . . . . . . . 6259 1 135 . 1 1 23 23 LYS CD C 13 29.07 0.1 . 1 . . . . . . . . 6259 1 136 . 1 1 23 23 LYS HD2 H 1 1.582 0.02 . 1 . . . . . . . . 6259 1 137 . 1 1 23 23 LYS HD3 H 1 1.484 0.02 . 1 . . . . . . . . 6259 1 138 . 1 1 23 23 LYS CE C 13 41.45 0.1 . 1 . . . . . . . . 6259 1 139 . 1 1 23 23 LYS HE2 H 1 2.78 0.02 . 2 . . . . . . . . 6259 1 140 . 1 1 24 24 ILE H H 1 8.687 0.02 . 1 . . . . . . . . 6259 1 141 . 1 1 24 24 ILE N N 15 123.7 0.1 . 1 . . . . . . . . 6259 1 142 . 1 1 24 24 ILE CA C 13 58.7 0.1 . 1 . . . . . . . . 6259 1 143 . 1 1 24 24 ILE HA H 1 4.981 0.02 . 1 . . . . . . . . 6259 1 144 . 1 1 24 24 ILE C C 13 174.316 0.1 . 1 . . . . . . . . 6259 1 145 . 1 1 24 24 ILE CB C 13 42.42 0.1 . 1 . . . . . . . . 6259 1 146 . 1 1 24 24 ILE HB H 1 1.524 0.02 . 1 . . . . . . . . 6259 1 147 . 1 1 24 24 ILE CG2 C 13 15.81 0.1 . 1 . . . . . . . . 6259 1 148 . 1 1 24 24 ILE HG21 H 1 0.653 0.02 . 1 . . . . . . . . 6259 1 149 . 1 1 24 24 ILE HG22 H 1 0.653 0.02 . 1 . . . . . . . . 6259 1 150 . 1 1 24 24 ILE HG23 H 1 0.653 0.02 . 1 . . . . . . . . 6259 1 151 . 1 1 24 24 ILE CG1 C 13 26.19 0.1 . 1 . . . . . . . . 6259 1 152 . 1 1 24 24 ILE HG12 H 1 1.418 0.02 . 1 . . . . . . . . 6259 1 153 . 1 1 24 24 ILE HG13 H 1 0.912 0.02 . 1 . . . . . . . . 6259 1 154 . 1 1 24 24 ILE CD1 C 13 14.95 0.1 . 1 . . . . . . . . 6259 1 155 . 1 1 24 24 ILE HD11 H 1 0.637 0.02 . 1 . . . . . . . . 6259 1 156 . 1 1 24 24 ILE HD12 H 1 0.637 0.02 . 1 . . . . . . . . 6259 1 157 . 1 1 24 24 ILE HD13 H 1 0.637 0.02 . 1 . . . . . . . . 6259 1 158 . 1 1 25 25 ILE H H 1 8.204 0.02 . 1 . . . . . . . . 6259 1 159 . 1 1 25 25 ILE N N 15 123.4 0.1 . 1 . . . . . . . . 6259 1 160 . 1 1 25 25 ILE CA C 13 59.1 0.1 . 1 . . . . . . . . 6259 1 161 . 1 1 25 25 ILE HA H 1 4.86 0.02 . 1 . . . . . . . . 6259 1 162 . 1 1 25 25 ILE C C 13 174.427 0.1 . 1 . . . . . . . . 6259 1 163 . 1 1 25 25 ILE CB C 13 40.33 0.1 . 1 . . . . . . . . 6259 1 164 . 1 1 25 25 ILE HB H 1 1.461 0.02 . 1 . . . . . . . . 6259 1 165 . 1 1 25 25 ILE CG2 C 13 18.01 0.1 . 1 . . . . . . . . 6259 1 166 . 1 1 25 25 ILE HG21 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 167 . 1 1 25 25 ILE HG22 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 168 . 1 1 25 25 ILE HG23 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 169 . 1 1 25 25 ILE CG1 C 13 27.76 0.1 . 1 . . . . . . . . 6259 1 170 . 1 1 25 25 ILE HG12 H 1 1.566 0.02 . 1 . . . . . . . . 6259 1 171 . 1 1 25 25 ILE CD1 C 13 14.38 0.1 . 1 . . . . . . . . 6259 1 172 . 1 1 25 25 ILE HD11 H 1 0.674 0.02 . 1 . . . . . . . . 6259 1 173 . 1 1 25 25 ILE HD12 H 1 0.674 0.02 . 1 . . . . . . . . 6259 1 174 . 1 1 25 25 ILE HD13 H 1 0.674 0.02 . 1 . . . . . . . . 6259 1 175 . 1 1 26 26 VAL H H 1 9.005 0.02 . 1 . . . . . . . . 6259 1 176 . 1 1 26 26 VAL N N 15 126.7 0.1 . 1 . . . . . . . . 6259 1 177 . 1 1 26 26 VAL CA C 13 60.54 0.1 . 1 . . . . . . . . 6259 1 178 . 1 1 26 26 VAL HA H 1 4.876 0.02 . 1 . . . . . . . . 6259 1 179 . 1 1 26 26 VAL C C 13 173.6 0.1 . 1 . . . . . . . . 6259 1 180 . 1 1 26 26 VAL CB C 13 31.9 0.1 . 1 . . . . . . . . 6259 1 181 . 1 1 26 26 VAL HB H 1 1.798 0.02 . 1 . . . . . . . . 6259 1 182 . 1 1 26 26 VAL CG1 C 13 21.07 0.1 . 1 . . . . . . . . 6259 1 183 . 1 1 26 26 VAL HG11 H 1 0.827 0.02 . 2 . . . . . . . . 6259 1 184 . 1 1 26 26 VAL HG12 H 1 0.827 0.02 . 2 . . . . . . . . 6259 1 185 . 1 1 26 26 VAL HG13 H 1 0.827 0.02 . 2 . . . . . . . . 6259 1 186 . 1 1 26 26 VAL CG2 C 13 21.64 0.1 . 1 . . . . . . . . 6259 1 187 . 1 1 26 26 VAL HG21 H 1 0.685 0.02 . 2 . . . . . . . . 6259 1 188 . 1 1 26 26 VAL HG22 H 1 0.685 0.02 . 2 . . . . . . . . 6259 1 189 . 1 1 26 26 VAL HG23 H 1 0.685 0.02 . 2 . . . . . . . . 6259 1 190 . 1 1 27 27 ALA H H 1 8.692 0.02 . 1 . . . . . . . . 6259 1 191 . 1 1 27 27 ALA N N 15 127.8 0.1 . 1 . . . . . . . . 6259 1 192 . 1 1 27 27 ALA CA C 13 48.59 0.1 . 1 . . . . . . . . 6259 1 193 . 1 1 27 27 ALA HA H 1 5.53 0.02 . 1 . . . . . . . . 6259 1 194 . 1 1 27 27 ALA C C 13 175.363 0.1 . 1 . . . . . . . . 6259 1 195 . 1 1 27 27 ALA CB C 13 21.54 0.1 . 1 . . . . . . . . 6259 1 196 . 1 1 27 27 ALA HB1 H 1 0.964 0.02 . 1 . . . . . . . . 6259 1 197 . 1 1 27 27 ALA HB2 H 1 0.964 0.02 . 1 . . . . . . . . 6259 1 198 . 1 1 27 27 ALA HB3 H 1 0.964 0.02 . 1 . . . . . . . . 6259 1 199 . 1 1 28 28 CYS H H 1 8.601 0.02 . 1 . . . . . . . . 6259 1 200 . 1 1 28 28 CYS N N 15 118.8 0.1 . 1 . . . . . . . . 6259 1 201 . 1 1 28 28 CYS CA C 13 56.19 0.1 . 1 . . . . . . . . 6259 1 202 . 1 1 28 28 CYS HA H 1 4.907 0.02 . 1 . . . . . . . . 6259 1 203 . 1 1 28 28 CYS C C 13 174.124 0.1 . 1 . . . . . . . . 6259 1 204 . 1 1 28 28 CYS CB C 13 30.68 0.1 . 1 . . . . . . . . 6259 1 205 . 1 1 28 28 CYS HB2 H 1 2.923 0.02 . 1 . . . . . . . . 6259 1 206 . 1 1 28 28 CYS HB3 H 1 2.743 0.02 . 1 . . . . . . . . 6259 1 207 . 1 1 29 29 GLY H H 1 8.365 0.02 . 1 . . . . . . . . 6259 1 208 . 1 1 29 29 GLY N N 15 110.8 0.1 . 1 . . . . . . . . 6259 1 209 . 1 1 30 30 GLY H H 1 8.517 0.02 . 1 . . . . . . . . 6259 1 210 . 1 1 30 30 GLY N N 15 109 0.1 . 1 . . . . . . . . 6259 1 211 . 1 1 30 30 GLY CA C 13 44.37 0.1 . 1 . . . . . . . . 6259 1 212 . 1 1 30 30 GLY HA2 H 1 3.941 0.02 . 2 . . . . . . . . 6259 1 213 . 1 1 30 30 GLY C C 13 172.994 0.1 . 1 . . . . . . . . 6259 1 214 . 1 1 31 31 ALA H H 1 8.171 0.02 . 1 . . . . . . . . 6259 1 215 . 1 1 31 31 ALA N N 15 123.5 0.1 . 1 . . . . . . . . 6259 1 216 . 1 1 31 31 ALA CA C 13 51.25 0.1 . 1 . . . . . . . . 6259 1 217 . 1 1 31 31 ALA HA H 1 4.469 0.02 . 1 . . . . . . . . 6259 1 218 . 1 1 31 31 ALA C C 13 177.38 0.1 . 1 . . . . . . . . 6259 1 219 . 1 1 31 31 ALA CB C 13 17.65 0.1 . 1 . . . . . . . . 6259 1 220 . 1 1 31 31 ALA HB1 H 1 1.429 0.02 . 1 . . . . . . . . 6259 1 221 . 1 1 31 31 ALA HB2 H 1 1.429 0.02 . 1 . . . . . . . . 6259 1 222 . 1 1 31 31 ALA HB3 H 1 1.429 0.02 . 1 . . . . . . . . 6259 1 223 . 1 1 32 32 VAL H H 1 8.056 0.02 . 1 . . . . . . . . 6259 1 224 . 1 1 32 32 VAL N N 15 120 0.1 . 1 . . . . . . . . 6259 1 225 . 1 1 32 32 VAL CA C 13 63.495 0.1 . 1 . . . . . . . . 6259 1 226 . 1 1 32 32 VAL C C 13 176.548 0.1 . 1 . . . . . . . . 6259 1 227 . 1 1 32 32 VAL CB C 13 31.503 0.1 . 1 . . . . . . . . 6259 1 228 . 1 1 33 33 ALA H H 1 8.564 0.02 . 1 . . . . . . . . 6259 1 229 . 1 1 33 33 ALA N N 15 122.4 0.1 . 1 . . . . . . . . 6259 1 230 . 1 1 33 33 ALA CA C 13 53.83 0.1 . 1 . . . . . . . . 6259 1 231 . 1 1 33 33 ALA HA H 1 4.2 0.02 . 1 . . . . . . . . 6259 1 232 . 1 1 33 33 ALA C C 13 178.78 0.1 . 1 . . . . . . . . 6259 1 233 . 1 1 33 33 ALA CB C 13 18.01 0.1 . 1 . . . . . . . . 6259 1 234 . 1 1 33 33 ALA HB1 H 1 1.408 0.02 . 1 . . . . . . . . 6259 1 235 . 1 1 33 33 ALA HB2 H 1 1.408 0.02 . 1 . . . . . . . . 6259 1 236 . 1 1 33 33 ALA HB3 H 1 1.408 0.02 . 1 . . . . . . . . 6259 1 237 . 1 1 34 34 THR H H 1 7.629 0.02 . 1 . . . . . . . . 6259 1 238 . 1 1 34 34 THR N N 15 108.8 0.1 . 1 . . . . . . . . 6259 1 239 . 1 1 34 34 THR CA C 13 63.2 0.1 . 1 . . . . . . . . 6259 1 240 . 1 1 34 34 THR HA H 1 4.195 0.02 . 1 . . . . . . . . 6259 1 241 . 1 1 34 34 THR C C 13 175.487 0.1 . 1 . . . . . . . . 6259 1 242 . 1 1 34 34 THR CB C 13 68.7 0.1 . 1 . . . . . . . . 6259 1 243 . 1 1 34 34 THR HB H 1 4.316 0.02 . 1 . . . . . . . . 6259 1 244 . 1 1 34 34 THR CG2 C 13 21.52 0.1 . 1 . . . . . . . . 6259 1 245 . 1 1 34 34 THR HG21 H 1 1.297 0.02 . 1 . . . . . . . . 6259 1 246 . 1 1 34 34 THR HG22 H 1 1.297 0.02 . 1 . . . . . . . . 6259 1 247 . 1 1 34 34 THR HG23 H 1 1.297 0.02 . 1 . . . . . . . . 6259 1 248 . 1 1 35 35 SER H H 1 7.88 0.02 . 1 . . . . . . . . 6259 1 249 . 1 1 35 35 SER N N 15 115.5 0.1 . 1 . . . . . . . . 6259 1 250 . 1 1 35 35 SER CA C 13 59.61 0.1 . 1 . . . . . . . . 6259 1 251 . 1 1 35 35 SER HA H 1 4.2 0.02 . 1 . . . . . . . . 6259 1 252 . 1 1 35 35 SER C C 13 175.088 0.1 . 1 . . . . . . . . 6259 1 253 . 1 1 35 35 SER CB C 13 62.41 0.1 . 1 . . . . . . . . 6259 1 254 . 1 1 35 35 SER HB2 H 1 3.905 0.02 . 1 . . . . . . . . 6259 1 255 . 1 1 35 35 SER HB3 H 1 3.82 0.02 . 1 . . . . . . . . 6259 1 256 . 1 1 36 36 THR H H 1 8.031 0.02 . 1 . . . . . . . . 6259 1 257 . 1 1 36 36 THR N N 15 115.9 0.1 . 1 . . . . . . . . 6259 1 258 . 1 1 36 36 THR CA C 13 64.93 0.1 . 1 . . . . . . . . 6259 1 259 . 1 1 36 36 THR HA H 1 3.941 0.02 . 1 . . . . . . . . 6259 1 260 . 1 1 36 36 THR C C 13 174.923 0.1 . 1 . . . . . . . . 6259 1 261 . 1 1 36 36 THR CB C 13 68.51 0.1 . 1 . . . . . . . . 6259 1 262 . 1 1 36 36 THR HB H 1 4.2 0.02 . 1 . . . . . . . . 6259 1 263 . 1 1 36 36 THR CG2 C 13 21.24 0.1 . 1 . . . . . . . . 6259 1 264 . 1 1 36 36 THR HG21 H 1 1.207 0.02 . 1 . . . . . . . . 6259 1 265 . 1 1 36 36 THR HG22 H 1 1.207 0.02 . 1 . . . . . . . . 6259 1 266 . 1 1 36 36 THR HG23 H 1 1.207 0.02 . 1 . . . . . . . . 6259 1 267 . 1 1 37 37 MET H H 1 7.816 0.02 . 1 . . . . . . . . 6259 1 268 . 1 1 37 37 MET N N 15 118.8 0.1 . 1 . . . . . . . . 6259 1 269 . 1 1 37 37 MET CA C 13 58.34 0.1 . 1 . . . . . . . . 6259 1 270 . 1 1 37 37 MET HA H 1 4.121 0.02 . 1 . . . . . . . . 6259 1 271 . 1 1 37 37 MET C C 13 177.347 0.1 . 1 . . . . . . . . 6259 1 272 . 1 1 37 37 MET CB C 13 31.73 0.1 . 1 . . . . . . . . 6259 1 273 . 1 1 37 37 MET HB2 H 1 2.046 0.02 . 2 . . . . . . . . 6259 1 274 . 1 1 37 37 MET CG C 13 31.61 0.1 . 1 . . . . . . . . 6259 1 275 . 1 1 37 37 MET HG2 H 1 2.648 0.02 . 1 . . . . . . . . 6259 1 276 . 1 1 37 37 MET HG3 H 1 2.495 0.02 . 1 . . . . . . . . 6259 1 277 . 1 1 38 38 ALA H H 1 7.915 0.02 . 1 . . . . . . . . 6259 1 278 . 1 1 38 38 ALA N N 15 118 0.1 . 1 . . . . . . . . 6259 1 279 . 1 1 38 38 ALA CA C 13 54.23 0.1 . 1 . . . . . . . . 6259 1 280 . 1 1 38 38 ALA HA H 1 3.493 0.02 . 1 . . . . . . . . 6259 1 281 . 1 1 38 38 ALA C C 13 177.595 0.1 . 1 . . . . . . . . 6259 1 282 . 1 1 38 38 ALA CB C 13 17.14 0.1 . 1 . . . . . . . . 6259 1 283 . 1 1 38 38 ALA HB1 H 1 1.26 0.02 . 1 . . . . . . . . 6259 1 284 . 1 1 38 38 ALA HB2 H 1 1.26 0.02 . 1 . . . . . . . . 6259 1 285 . 1 1 38 38 ALA HB3 H 1 1.26 0.02 . 1 . . . . . . . . 6259 1 286 . 1 1 39 39 ALA H H 1 8.116 0.02 . 1 . . . . . . . . 6259 1 287 . 1 1 39 39 ALA N N 15 116.3 0.1 . 1 . . . . . . . . 6259 1 288 . 1 1 39 39 ALA CA C 13 54.99 0.1 . 1 . . . . . . . . 6259 1 289 . 1 1 39 39 ALA HA H 1 3.709 0.02 . 1 . . . . . . . . 6259 1 290 . 1 1 39 39 ALA C C 13 178.422 0.1 . 1 . . . . . . . . 6259 1 291 . 1 1 39 39 ALA CB C 13 17.48 0.1 . 1 . . . . . . . . 6259 1 292 . 1 1 39 39 ALA HB1 H 1 1.308 0.02 . 1 . . . . . . . . 6259 1 293 . 1 1 39 39 ALA HB2 H 1 1.308 0.02 . 1 . . . . . . . . 6259 1 294 . 1 1 39 39 ALA HB3 H 1 1.308 0.02 . 1 . . . . . . . . 6259 1 295 . 1 1 40 40 GLU H H 1 8.023 0.02 . 1 . . . . . . . . 6259 1 296 . 1 1 40 40 GLU N N 15 115.2 0.1 . 1 . . . . . . . . 6259 1 297 . 1 1 40 40 GLU CA C 13 58.66 0.1 . 1 . . . . . . . . 6259 1 298 . 1 1 40 40 GLU HA H 1 3.841 0.02 . 1 . . . . . . . . 6259 1 299 . 1 1 40 40 GLU C C 13 179.056 0.1 . 1 . . . . . . . . 6259 1 300 . 1 1 40 40 GLU CB C 13 28.01 0.1 . 1 . . . . . . . . 6259 1 301 . 1 1 40 40 GLU CG C 13 35.56 0.1 . 1 . . . . . . . . 6259 1 302 . 1 1 40 40 GLU HG2 H 1 2.332 0.02 . 1 . . . . . . . . 6259 1 303 . 1 1 40 40 GLU HG3 H 1 2.289 0.02 . 1 . . . . . . . . 6259 1 304 . 1 1 41 41 GLU H H 1 7.794 0.02 . 1 . . . . . . . . 6259 1 305 . 1 1 41 41 GLU N N 15 116.9 0.1 . 1 . . . . . . . . 6259 1 306 . 1 1 41 41 GLU CA C 13 58.07 0.1 . 1 . . . . . . . . 6259 1 307 . 1 1 41 41 GLU HA H 1 3.894 0.02 . 1 . . . . . . . . 6259 1 308 . 1 1 41 41 GLU C C 13 179.772 0.1 . 1 . . . . . . . . 6259 1 309 . 1 1 41 41 GLU CB C 13 27.93 0.1 . 1 . . . . . . . . 6259 1 310 . 1 1 41 41 GLU HB2 H 1 1.482 0.02 . 1 . . . . . . . . 6259 1 311 . 1 1 41 41 GLU HB3 H 1 1.049 0.02 . 1 . . . . . . . . 6259 1 312 . 1 1 42 42 ILE H H 1 8.043 0.02 . 1 . . . . . . . . 6259 1 313 . 1 1 42 42 ILE N N 15 119.5 0.1 . 1 . . . . . . . . 6259 1 314 . 1 1 42 42 ILE CA C 13 65.27 0.1 . 1 . . . . . . . . 6259 1 315 . 1 1 42 42 ILE HA H 1 3.456 0.02 . 1 . . . . . . . . 6259 1 316 . 1 1 42 42 ILE C C 13 176.934 0.1 . 1 . . . . . . . . 6259 1 317 . 1 1 42 42 ILE CB C 13 36.97 0.1 . 1 . . . . . . . . 6259 1 318 . 1 1 42 42 ILE HB H 1 1.682 0.02 . 1 . . . . . . . . 6259 1 319 . 1 1 42 42 ILE CG2 C 13 18.01 0.1 . 1 . . . . . . . . 6259 1 320 . 1 1 42 42 ILE HG21 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 321 . 1 1 42 42 ILE HG22 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 322 . 1 1 42 42 ILE HG23 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 323 . 1 1 42 42 ILE CG1 C 13 30.28 0.1 . 1 . . . . . . . . 6259 1 324 . 1 1 42 42 ILE HG12 H 1 1.746 0.02 . 2 . . . . . . . . 6259 1 325 . 1 1 42 42 ILE CD1 C 13 12.82 0.1 . 1 . . . . . . . . 6259 1 326 . 1 1 42 42 ILE HD11 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 327 . 1 1 42 42 ILE HD12 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 328 . 1 1 42 42 ILE HD13 H 1 0.706 0.02 . 1 . . . . . . . . 6259 1 329 . 1 1 43 43 LYS H H 1 8.36 0.02 . 1 . . . . . . . . 6259 1 330 . 1 1 43 43 LYS N N 15 119.7 0.1 . 1 . . . . . . . . 6259 1 331 . 1 1 43 43 LYS CA C 13 60.29 0.1 . 1 . . . . . . . . 6259 1 332 . 1 1 43 43 LYS HA H 1 3.646 0.02 . 1 . . . . . . . . 6259 1 333 . 1 1 43 43 LYS C C 13 178.256 0.1 . 1 . . . . . . . . 6259 1 334 . 1 1 43 43 LYS CB C 13 31.42 0.1 . 1 . . . . . . . . 6259 1 335 . 1 1 43 43 LYS HB2 H 1 1.856 0.02 . 1 . . . . . . . . 6259 1 336 . 1 1 43 43 LYS HB3 H 1 1.809 0.02 . 1 . . . . . . . . 6259 1 337 . 1 1 43 43 LYS CG C 13 24.68 0.1 . 1 . . . . . . . . 6259 1 338 . 1 1 43 43 LYS HG2 H 1 1.466 0.02 . 1 . . . . . . . . 6259 1 339 . 1 1 43 43 LYS HG3 H 1 1.255 0.02 . 1 . . . . . . . . 6259 1 340 . 1 1 43 43 LYS CD C 13 28.8 0.1 . 1 . . . . . . . . 6259 1 341 . 1 1 43 43 LYS HD2 H 1 1.593 0.02 . 2 . . . . . . . . 6259 1 342 . 1 1 43 43 LYS CE C 13 41.24 0.1 . 1 . . . . . . . . 6259 1 343 . 1 1 43 43 LYS HE2 H 1 2.817 0.02 . 2 . . . . . . . . 6259 1 344 . 1 1 44 44 GLU H H 1 7.95 0.02 . 1 . . . . . . . . 6259 1 345 . 1 1 44 44 GLU N N 15 117.5 0.1 . 1 . . . . . . . . 6259 1 346 . 1 1 44 44 GLU CA C 13 58.75 0.1 . 1 . . . . . . . . 6259 1 347 . 1 1 44 44 GLU HA H 1 4.047 0.02 . 1 . . . . . . . . 6259 1 348 . 1 1 44 44 GLU C C 13 178.394 0.1 . 1 . . . . . . . . 6259 1 349 . 1 1 44 44 GLU CB C 13 28.38 0.1 . 1 . . . . . . . . 6259 1 350 . 1 1 44 44 GLU HB2 H 1 2.052 0.02 . 2 . . . . . . . . 6259 1 351 . 1 1 44 44 GLU CG C 13 35.11 0.1 . 1 . . . . . . . . 6259 1 352 . 1 1 44 44 GLU HG2 H 1 2.284 0.02 . 2 . . . . . . . . 6259 1 353 . 1 1 45 45 LEU H H 1 7.986 0.02 . 1 . . . . . . . . 6259 1 354 . 1 1 45 45 LEU N N 15 120.7 0.1 . 1 . . . . . . . . 6259 1 355 . 1 1 45 45 LEU CA C 13 57.52 0.1 . 1 . . . . . . . . 6259 1 356 . 1 1 45 45 LEU HA H 1 4.195 0.02 . 1 . . . . . . . . 6259 1 357 . 1 1 45 45 LEU C C 13 178.67 0.1 . 1 . . . . . . . . 6259 1 358 . 1 1 45 45 LEU CB C 13 42.12 0.1 . 1 . . . . . . . . 6259 1 359 . 1 1 45 45 LEU HB2 H 1 2.041 0.02 . 1 . . . . . . . . 6259 1 360 . 1 1 45 45 LEU HB3 H 1 1.698 0.02 . 1 . . . . . . . . 6259 1 361 . 1 1 45 45 LEU CD1 C 13 23.39 0.1 . 1 . . . . . . . . 6259 1 362 . 1 1 45 45 LEU HD11 H 1 0.901 0.02 . 2 . . . . . . . . 6259 1 363 . 1 1 45 45 LEU HD12 H 1 0.901 0.02 . 2 . . . . . . . . 6259 1 364 . 1 1 45 45 LEU HD13 H 1 0.901 0.02 . 2 . . . . . . . . 6259 1 365 . 1 1 45 45 LEU CD2 C 13 25.61 0.1 . 1 . . . . . . . . 6259 1 366 . 1 1 45 45 LEU HD21 H 1 0.905 0.02 . 2 . . . . . . . . 6259 1 367 . 1 1 45 45 LEU HD22 H 1 0.905 0.02 . 2 . . . . . . . . 6259 1 368 . 1 1 45 45 LEU HD23 H 1 0.905 0.02 . 2 . . . . . . . . 6259 1 369 . 1 1 46 46 CYS H H 1 8.265 0.02 . 1 . . . . . . . . 6259 1 370 . 1 1 46 46 CYS N N 15 114.8 0.1 . 1 . . . . . . . . 6259 1 371 . 1 1 46 46 CYS CA C 13 64.72 0.1 . 1 . . . . . . . . 6259 1 372 . 1 1 46 46 CYS HA H 1 3.91 0.02 . 1 . . . . . . . . 6259 1 373 . 1 1 46 46 CYS C C 13 176.851 0.1 . 1 . . . . . . . . 6259 1 374 . 1 1 46 46 CYS CB C 13 25.42 0.1 . 1 . . . . . . . . 6259 1 375 . 1 1 46 46 CYS HB2 H 1 3.313 0.02 . 1 . . . . . . . . 6259 1 376 . 1 1 46 46 CYS HB3 H 1 2.838 0.02 . 1 . . . . . . . . 6259 1 377 . 1 1 47 47 GLN H H 1 8.655 0.02 . 1 . . . . . . . . 6259 1 378 . 1 1 47 47 GLN N N 15 119.6 0.1 . 1 . . . . . . . . 6259 1 379 . 1 1 47 47 GLN CA C 13 58.75 0.1 . 1 . . . . . . . . 6259 1 380 . 1 1 47 47 GLN HA H 1 4.079 0.02 . 1 . . . . . . . . 6259 1 381 . 1 1 47 47 GLN C C 13 179.744 0.1 . 1 . . . . . . . . 6259 1 382 . 1 1 47 47 GLN CB C 13 27.27 0.1 . 1 . . . . . . . . 6259 1 383 . 1 1 47 47 GLN CG C 13 33.42 0.1 . 1 . . . . . . . . 6259 1 384 . 1 1 47 47 GLN HG2 H 1 2.442 0.02 . 1 . . . . . . . . 6259 1 385 . 1 1 47 47 GLN HG3 H 1 2.395 0.02 . 1 . . . . . . . . 6259 1 386 . 1 1 48 48 SER H H 1 8.359 0.02 . 1 . . . . . . . . 6259 1 387 . 1 1 48 48 SER N N 15 113.1 0.1 . 1 . . . . . . . . 6259 1 388 . 1 1 48 48 SER CA C 13 60.5 0.1 . 1 . . . . . . . . 6259 1 389 . 1 1 48 48 SER HA H 1 4.153 0.02 . 1 . . . . . . . . 6259 1 390 . 1 1 48 48 SER C C 13 174.316 0.1 . 1 . . . . . . . . 6259 1 391 . 1 1 48 48 SER CB C 13 62.56 0.1 . 1 . . . . . . . . 6259 1 392 . 1 1 48 48 SER HB2 H 1 3.968 0.02 . 1 . . . . . . . . 6259 1 393 . 1 1 48 48 SER HB3 H 1 3.899 0.02 . 1 . . . . . . . . 6259 1 394 . 1 1 49 49 HIS H H 1 7.262 0.02 . 1 . . . . . . . . 6259 1 395 . 1 1 49 49 HIS N N 15 115.2 0.1 . 1 . . . . . . . . 6259 1 396 . 1 1 49 49 HIS CA C 13 55.6 0.1 . 1 . . . . . . . . 6259 1 397 . 1 1 49 49 HIS HA H 1 4.533 0.02 . 1 . . . . . . . . 6259 1 398 . 1 1 49 49 HIS C C 13 171.947 0.1 . 1 . . . . . . . . 6259 1 399 . 1 1 49 49 HIS CB C 13 28.38 0.1 . 1 . . . . . . . . 6259 1 400 . 1 1 49 49 HIS HB2 H 1 2.543 0.02 . 2 . . . . . . . . 6259 1 401 . 1 1 50 50 ASN H H 1 7.755 0.02 . 1 . . . . . . . . 6259 1 402 . 1 1 50 50 ASN N N 15 114.3 0.1 . 1 . . . . . . . . 6259 1 403 . 1 1 50 50 ASN CA C 13 53.64 0.1 . 1 . . . . . . . . 6259 1 404 . 1 1 50 50 ASN HA H 1 4.227 0.02 . 1 . . . . . . . . 6259 1 405 . 1 1 50 50 ASN C C 13 172.925 0.1 . 1 . . . . . . . . 6259 1 406 . 1 1 50 50 ASN CB C 13 36.59 0.1 . 1 . . . . . . . . 6259 1 407 . 1 1 50 50 ASN HB2 H 1 3.028 0.02 . 2 . . . . . . . . 6259 1 408 . 1 1 51 51 ILE H H 1 8.23 0.02 . 1 . . . . . . . . 6259 1 409 . 1 1 51 51 ILE N N 15 117.9 0.1 . 1 . . . . . . . . 6259 1 410 . 1 1 51 51 ILE CA C 13 57.73 0.1 . 1 . . . . . . . . 6259 1 411 . 1 1 51 51 ILE HA H 1 4.306 0.02 . 1 . . . . . . . . 6259 1 412 . 1 1 51 51 ILE CB C 13 39.55 0.1 . 1 . . . . . . . . 6259 1 413 . 1 1 51 51 ILE HB H 1 1.471 0.02 . 1 . . . . . . . . 6259 1 414 . 1 1 51 51 ILE CG2 C 13 16 0.1 . 1 . . . . . . . . 6259 1 415 . 1 1 51 51 ILE HG21 H 1 0.579 0.02 . 1 . . . . . . . . 6259 1 416 . 1 1 51 51 ILE HG22 H 1 0.579 0.02 . 1 . . . . . . . . 6259 1 417 . 1 1 51 51 ILE HG23 H 1 0.579 0.02 . 1 . . . . . . . . 6259 1 418 . 1 1 51 51 ILE CG1 C 13 26.2 0.1 . 1 . . . . . . . . 6259 1 419 . 1 1 51 51 ILE HG12 H 1 1.508 0.02 . 1 . . . . . . . . 6259 1 420 . 1 1 51 51 ILE HG13 H 1 0.769 0.02 . 1 . . . . . . . . 6259 1 421 . 1 1 51 51 ILE CD1 C 13 13.64 0.1 . 1 . . . . . . . . 6259 1 422 . 1 1 51 51 ILE HD11 H 1 0.664 0.02 . 1 . . . . . . . . 6259 1 423 . 1 1 51 51 ILE HD12 H 1 0.664 0.02 . 1 . . . . . . . . 6259 1 424 . 1 1 51 51 ILE HD13 H 1 0.664 0.02 . 1 . . . . . . . . 6259 1 425 . 1 1 52 52 PRO CA C 13 61.87 0.1 . 1 . . . . . . . . 6259 1 426 . 1 1 52 52 PRO HA H 1 4.411 0.02 . 1 . . . . . . . . 6259 1 427 . 1 1 52 52 PRO C C 13 175.749 0.1 . 1 . . . . . . . . 6259 1 428 . 1 1 52 52 PRO CB C 13 30.95 0.1 . 1 . . . . . . . . 6259 1 429 . 1 1 52 52 PRO HB2 H 1 2.157 0.02 . 1 . . . . . . . . 6259 1 430 . 1 1 52 52 PRO HB3 H 1 1.693 0.02 . 1 . . . . . . . . 6259 1 431 . 1 1 52 52 PRO CG C 13 26.65 0.1 . 1 . . . . . . . . 6259 1 432 . 1 1 52 52 PRO HG2 H 1 1.973 0.02 . 1 . . . . . . . . 6259 1 433 . 1 1 52 52 PRO HG3 H 1 1.841 0.02 . 1 . . . . . . . . 6259 1 434 . 1 1 52 52 PRO CD C 13 50.4 0.1 . 1 . . . . . . . . 6259 1 435 . 1 1 52 52 PRO HD2 H 1 3.862 0.02 . 1 . . . . . . . . 6259 1 436 . 1 1 52 52 PRO HD3 H 1 3.514 0.02 . 1 . . . . . . . . 6259 1 437 . 1 1 53 53 VAL H H 1 8.208 0.02 . 1 . . . . . . . . 6259 1 438 . 1 1 53 53 VAL N N 15 117.2 0.1 . 1 . . . . . . . . 6259 1 439 . 1 1 53 53 VAL CA C 13 58.2 0.1 . 1 . . . . . . . . 6259 1 440 . 1 1 53 53 VAL HA H 1 5.419 0.02 . 1 . . . . . . . . 6259 1 441 . 1 1 53 53 VAL C C 13 173.297 0.1 . 1 . . . . . . . . 6259 1 442 . 1 1 53 53 VAL CB C 13 36.1 0.1 . 1 . . . . . . . . 6259 1 443 . 1 1 53 53 VAL HB H 1 1.809 0.02 . 1 . . . . . . . . 6259 1 444 . 1 1 53 53 VAL CG1 C 13 20.14 0.1 . 1 . . . . . . . . 6259 1 445 . 1 1 53 53 VAL HG11 H 1 0.843 0.02 . 2 . . . . . . . . 6259 1 446 . 1 1 53 53 VAL HG12 H 1 0.843 0.02 . 2 . . . . . . . . 6259 1 447 . 1 1 53 53 VAL HG13 H 1 0.843 0.02 . 2 . . . . . . . . 6259 1 448 . 1 1 53 53 VAL CG2 C 13 20.25 0.1 . 1 . . . . . . . . 6259 1 449 . 1 1 53 53 VAL HG21 H 1 0.748 0.02 . 2 . . . . . . . . 6259 1 450 . 1 1 53 53 VAL HG22 H 1 0.748 0.02 . 2 . . . . . . . . 6259 1 451 . 1 1 53 53 VAL HG23 H 1 0.748 0.02 . 2 . . . . . . . . 6259 1 452 . 1 1 54 54 GLU H H 1 8.774 0.02 . 1 . . . . . . . . 6259 1 453 . 1 1 54 54 GLU N N 15 125.3 0.1 . 1 . . . . . . . . 6259 1 454 . 1 1 54 54 GLU CA C 13 54.42 0.1 . 1 . . . . . . . . 6259 1 455 . 1 1 54 54 GLU HA H 1 4.469 0.02 . 1 . . . . . . . . 6259 1 456 . 1 1 54 54 GLU C C 13 172.746 0.1 . 1 . . . . . . . . 6259 1 457 . 1 1 54 54 GLU CB C 13 31.7 0.1 . 1 . . . . . . . . 6259 1 458 . 1 1 54 54 GLU CG C 13 35.12 0.1 . 1 . . . . . . . . 6259 1 459 . 1 1 54 54 GLU HG2 H 1 2.126 0.02 . 1 . . . . . . . . 6259 1 460 . 1 1 54 54 GLU HG3 H 1 1.946 0.02 . 1 . . . . . . . . 6259 1 461 . 1 1 55 55 LEU H H 1 8.624 0.02 . 1 . . . . . . . . 6259 1 462 . 1 1 55 55 LEU N N 15 125.9 0.1 . 1 . . . . . . . . 6259 1 463 . 1 1 55 55 LEU CA C 13 53.17 0.1 . 1 . . . . . . . . 6259 1 464 . 1 1 55 55 LEU HA H 1 5.092 0.02 . 1 . . . . . . . . 6259 1 465 . 1 1 55 55 LEU C C 13 175.556 0.1 . 1 . . . . . . . . 6259 1 466 . 1 1 55 55 LEU CB C 13 43.23 0.1 . 1 . . . . . . . . 6259 1 467 . 1 1 55 55 LEU HB2 H 1 1.445 0.02 . 2 . . . . . . . . 6259 1 468 . 1 1 55 55 LEU CG C 13 27.64 0.1 . 1 . . . . . . . . 6259 1 469 . 1 1 55 55 LEU CD1 C 13 25.53 0.1 . 1 . . . . . . . . 6259 1 470 . 1 1 55 55 LEU HD11 H 1 0.695 0.02 . 2 . . . . . . . . 6259 1 471 . 1 1 55 55 LEU HD12 H 1 0.695 0.02 . 2 . . . . . . . . 6259 1 472 . 1 1 55 55 LEU HD13 H 1 0.695 0.02 . 2 . . . . . . . . 6259 1 473 . 1 1 55 55 LEU CD2 C 13 24.89 0.1 . 1 . . . . . . . . 6259 1 474 . 1 1 55 55 LEU HD21 H 1 0.753 0.02 . 2 . . . . . . . . 6259 1 475 . 1 1 55 55 LEU HD22 H 1 0.753 0.02 . 2 . . . . . . . . 6259 1 476 . 1 1 55 55 LEU HD23 H 1 0.753 0.02 . 2 . . . . . . . . 6259 1 477 . 1 1 55 55 LEU HG H 1 1.424 0.02 . 1 . . . . . . . . 6259 1 478 . 1 1 56 56 ILE H H 1 9.051 0.02 . 1 . . . . . . . . 6259 1 479 . 1 1 56 56 ILE N N 15 126.4 0.1 . 1 . . . . . . . . 6259 1 480 . 1 1 56 56 ILE CA C 13 59.38 0.1 . 1 . . . . . . . . 6259 1 481 . 1 1 56 56 ILE HA H 1 4.068 0.02 . 1 . . . . . . . . 6259 1 482 . 1 1 56 56 ILE C C 13 173.572 0.1 . 1 . . . . . . . . 6259 1 483 . 1 1 56 56 ILE CB C 13 39.64 0.1 . 1 . . . . . . . . 6259 1 484 . 1 1 56 56 ILE HB H 1 1.54 0.02 . 1 . . . . . . . . 6259 1 485 . 1 1 56 56 ILE CG2 C 13 16.13 0.1 . 1 . . . . . . . . 6259 1 486 . 1 1 56 56 ILE HG21 H 1 0.236 0.02 . 1 . . . . . . . . 6259 1 487 . 1 1 56 56 ILE HG22 H 1 0.236 0.02 . 1 . . . . . . . . 6259 1 488 . 1 1 56 56 ILE HG23 H 1 0.236 0.02 . 1 . . . . . . . . 6259 1 489 . 1 1 56 56 ILE CG1 C 13 27.02 0.1 . 1 . . . . . . . . 6259 1 490 . 1 1 56 56 ILE HG12 H 1 1.26 0.02 . 1 . . . . . . . . 6259 1 491 . 1 1 56 56 ILE HG13 H 1 0.975 0.02 . 1 . . . . . . . . 6259 1 492 . 1 1 56 56 ILE CD1 C 13 13.51 0.1 . 1 . . . . . . . . 6259 1 493 . 1 1 56 56 ILE HD11 H 1 0.7 0.02 . 1 . . . . . . . . 6259 1 494 . 1 1 56 56 ILE HD12 H 1 0.7 0.02 . 1 . . . . . . . . 6259 1 495 . 1 1 56 56 ILE HD13 H 1 0.7 0.02 . 1 . . . . . . . . 6259 1 496 . 1 1 57 57 GLN H H 1 8.437 0.02 . 1 . . . . . . . . 6259 1 497 . 1 1 57 57 GLN N N 15 124.6 0.1 . 1 . . . . . . . . 6259 1 498 . 1 1 57 57 GLN CA C 13 53.81 0.1 . 1 . . . . . . . . 6259 1 499 . 1 1 57 57 GLN HA H 1 5.314 0.02 . 1 . . . . . . . . 6259 1 500 . 1 1 57 57 GLN C C 13 173.958 0.1 . 1 . . . . . . . . 6259 1 501 . 1 1 57 57 GLN CB C 13 29.83 0.1 . 1 . . . . . . . . 6259 1 502 . 1 1 57 57 GLN HB2 H 1 1.746 0.02 . 2 . . . . . . . . 6259 1 503 . 1 1 57 57 GLN CG C 13 34.33 0.1 . 1 . . . . . . . . 6259 1 504 . 1 1 57 57 GLN HG2 H 1 2.041 0.02 . 1 . . . . . . . . 6259 1 505 . 1 1 57 57 GLN HG3 H 1 1.909 0.02 . 1 . . . . . . . . 6259 1 506 . 1 1 58 58 CYS H H 1 8.306 0.02 . 1 . . . . . . . . 6259 1 507 . 1 1 58 58 CYS N N 15 117.2 0.1 . 1 . . . . . . . . 6259 1 508 . 1 1 58 58 CYS CA C 13 55.07 0.1 . 1 . . . . . . . . 6259 1 509 . 1 1 58 58 CYS HA H 1 4.929 0.02 . 1 . . . . . . . . 6259 1 510 . 1 1 58 58 CYS C C 13 171.947 0.1 . 1 . . . . . . . . 6259 1 511 . 1 1 58 58 CYS CB C 13 30.66 0.1 . 1 . . . . . . . . 6259 1 512 . 1 1 58 58 CYS HB2 H 1 3.424 0.02 . 1 . . . . . . . . 6259 1 513 . 1 1 58 58 CYS HB3 H 1 2.089 0.02 . 1 . . . . . . . . 6259 1 514 . 1 1 59 59 ARG H H 1 9.021 0.02 . 1 . . . . . . . . 6259 1 515 . 1 1 59 59 ARG N N 15 117.1 0.1 . 1 . . . . . . . . 6259 1 516 . 1 1 59 59 ARG CA C 13 54.65 0.1 . 1 . . . . . . . . 6259 1 517 . 1 1 59 59 ARG HA H 1 5.066 0.02 . 1 . . . . . . . . 6259 1 518 . 1 1 59 59 ARG C C 13 179.331 0.1 . 1 . . . . . . . . 6259 1 519 . 1 1 59 59 ARG CB C 13 30.96 0.1 . 1 . . . . . . . . 6259 1 520 . 1 1 59 59 ARG HB2 H 1 2.157 0.02 . 1 . . . . . . . . 6259 1 521 . 1 1 59 59 ARG HB3 H 1 1.688 0.02 . 1 . . . . . . . . 6259 1 522 . 1 1 59 59 ARG CG C 13 27.44 0.1 . 1 . . . . . . . . 6259 1 523 . 1 1 59 59 ARG HG2 H 1 1.746 0.02 . 1 . . . . . . . . 6259 1 524 . 1 1 59 59 ARG HG3 H 1 1.677 0.02 . 1 . . . . . . . . 6259 1 525 . 1 1 59 59 ARG CD C 13 42.66 0.1 . 1 . . . . . . . . 6259 1 526 . 1 1 59 59 ARG HD2 H 1 3.187 0.02 . 2 . . . . . . . . 6259 1 527 . 1 1 60 60 VAL H H 1 8.339 0.02 . 1 . . . . . . . . 6259 1 528 . 1 1 60 60 VAL N N 15 119.3 0.1 . 1 . . . . . . . . 6259 1 529 . 1 1 60 60 VAL CA C 13 65.57 0.1 . 1 . . . . . . . . 6259 1 530 . 1 1 60 60 VAL HA H 1 3.54 0.02 . 1 . . . . . . . . 6259 1 531 . 1 1 60 60 VAL C C 13 176.59 0.1 . 1 . . . . . . . . 6259 1 532 . 1 1 60 60 VAL CB C 13 31.12 0.1 . 1 . . . . . . . . 6259 1 533 . 1 1 60 60 VAL HB H 1 2.073 0.02 . 1 . . . . . . . . 6259 1 534 . 1 1 60 60 VAL CG1 C 13 21.13 0.1 . 1 . . . . . . . . 6259 1 535 . 1 1 60 60 VAL HG11 H 1 0.917 0.02 . 2 . . . . . . . . 6259 1 536 . 1 1 60 60 VAL HG12 H 1 0.917 0.02 . 2 . . . . . . . . 6259 1 537 . 1 1 60 60 VAL HG13 H 1 0.917 0.02 . 2 . . . . . . . . 6259 1 538 . 1 1 60 60 VAL CG2 C 13 21.1 0.1 . 1 . . . . . . . . 6259 1 539 . 1 1 60 60 VAL HG21 H 1 0.91 0.02 . 2 . . . . . . . . 6259 1 540 . 1 1 60 60 VAL HG22 H 1 0.91 0.02 . 2 . . . . . . . . 6259 1 541 . 1 1 60 60 VAL HG23 H 1 0.91 0.02 . 2 . . . . . . . . 6259 1 542 . 1 1 61 61 ASN H H 1 8.333 0.02 . 1 . . . . . . . . 6259 1 543 . 1 1 61 61 ASN N N 15 112.9 0.1 . 1 . . . . . . . . 6259 1 544 . 1 1 61 61 ASN CA C 13 53.85 0.1 . 1 . . . . . . . . 6259 1 545 . 1 1 61 61 ASN HA H 1 4.274 0.02 . 1 . . . . . . . . 6259 1 546 . 1 1 61 61 ASN C C 13 174.895 0.1 . 1 . . . . . . . . 6259 1 547 . 1 1 61 61 ASN CB C 13 36.56 0.1 . 1 . . . . . . . . 6259 1 548 . 1 1 61 61 ASN HB2 H 1 3.034 0.02 . 1 . . . . . . . . 6259 1 549 . 1 1 61 61 ASN HB3 H 1 2.775 0.02 . 1 . . . . . . . . 6259 1 550 . 1 1 62 62 GLU H H 1 7.802 0.02 . 1 . . . . . . . . 6259 1 551 . 1 1 62 62 GLU N N 15 115.4 0.1 . 1 . . . . . . . . 6259 1 552 . 1 1 62 62 GLU CA C 13 55.02 0.1 . 1 . . . . . . . . 6259 1 553 . 1 1 62 62 GLU C C 13 176.08 0.1 . 1 . . . . . . . . 6259 1 554 . 1 1 62 62 GLU CB C 13 31.235 0.1 . 1 . . . . . . . . 6259 1 555 . 1 1 63 63 ILE H H 1 7.105 0.02 . 1 . . . . . . . . 6259 1 556 . 1 1 63 63 ILE N N 15 118.5 0.1 . 1 . . . . . . . . 6259 1 557 . 1 1 63 63 ILE CA C 13 66.38 0.1 . 1 . . . . . . . . 6259 1 558 . 1 1 63 63 ILE HA H 1 3.382 0.02 . 1 . . . . . . . . 6259 1 559 . 1 1 63 63 ILE C C 13 176.686 0.1 . 1 . . . . . . . . 6259 1 560 . 1 1 63 63 ILE CB C 13 37.73 0.1 . 1 . . . . . . . . 6259 1 561 . 1 1 63 63 ILE HB H 1 1.423 0.02 . 1 . . . . . . . . 6259 1 562 . 1 1 63 63 ILE CG2 C 13 17.17 0.1 . 1 . . . . . . . . 6259 1 563 . 1 1 63 63 ILE HG21 H 1 0.171 0.02 . 1 . . . . . . . . 6259 1 564 . 1 1 63 63 ILE HG22 H 1 0.171 0.02 . 1 . . . . . . . . 6259 1 565 . 1 1 63 63 ILE HG23 H 1 0.171 0.02 . 1 . . . . . . . . 6259 1 566 . 1 1 63 63 ILE CG1 C 13 29.87 0.1 . 1 . . . . . . . . 6259 1 567 . 1 1 63 63 ILE HG12 H 1 1.804 0.02 . 1 . . . . . . . . 6259 1 568 . 1 1 63 63 ILE HG13 H 1 0.373 0.02 . 1 . . . . . . . . 6259 1 569 . 1 1 63 63 ILE CD1 C 13 13.66 0.1 . 1 . . . . . . . . 6259 1 570 . 1 1 63 63 ILE HD11 H 1 0.547 0.02 . 1 . . . . . . . . 6259 1 571 . 1 1 63 63 ILE HD12 H 1 0.547 0.02 . 1 . . . . . . . . 6259 1 572 . 1 1 63 63 ILE HD13 H 1 0.547 0.02 . 1 . . . . . . . . 6259 1 573 . 1 1 64 64 GLU H H 1 9.157 0.02 . 1 . . . . . . . . 6259 1 574 . 1 1 64 64 GLU N N 15 113.8 0.1 . 1 . . . . . . . . 6259 1 575 . 1 1 64 64 GLU CA C 13 59.74 0.1 . 1 . . . . . . . . 6259 1 576 . 1 1 64 64 GLU HA H 1 4.073 0.02 . 1 . . . . . . . . 6259 1 577 . 1 1 64 64 GLU C C 13 177.76 0.1 . 1 . . . . . . . . 6259 1 578 . 1 1 64 64 GLU CB C 13 27.81 0.1 . 1 . . . . . . . . 6259 1 579 . 1 1 64 64 GLU HB2 H 1 2.004 0.02 . 2 . . . . . . . . 6259 1 580 . 1 1 65 65 THR H H 1 7.563 0.02 . 1 . . . . . . . . 6259 1 581 . 1 1 65 65 THR N N 15 112.6 0.1 . 1 . . . . . . . . 6259 1 582 . 1 1 65 65 THR CA C 13 64.32 0.1 . 1 . . . . . . . . 6259 1 583 . 1 1 65 65 THR HA H 1 3.783 0.02 . 1 . . . . . . . . 6259 1 584 . 1 1 65 65 THR C C 13 174.399 0.1 . 1 . . . . . . . . 6259 1 585 . 1 1 65 65 THR CB C 13 68.34 0.1 . 1 . . . . . . . . 6259 1 586 . 1 1 65 65 THR HB H 1 3.894 0.02 . 1 . . . . . . . . 6259 1 587 . 1 1 65 65 THR CG2 C 13 20.75 0.1 . 1 . . . . . . . . 6259 1 588 . 1 1 65 65 THR HG21 H 1 0.606 0.02 . 1 . . . . . . . . 6259 1 589 . 1 1 65 65 THR HG22 H 1 0.606 0.02 . 1 . . . . . . . . 6259 1 590 . 1 1 65 65 THR HG23 H 1 0.606 0.02 . 1 . . . . . . . . 6259 1 591 . 1 1 66 66 TYR H H 1 7.369 0.02 . 1 . . . . . . . . 6259 1 592 . 1 1 66 66 TYR N N 15 116.7 0.1 . 1 . . . . . . . . 6259 1 593 . 1 1 66 66 TYR CA C 13 57.86 0.1 . 1 . . . . . . . . 6259 1 594 . 1 1 66 66 TYR HA H 1 4.654 0.02 . 1 . . . . . . . . 6259 1 595 . 1 1 66 66 TYR C C 13 175.529 0.1 . 1 . . . . . . . . 6259 1 596 . 1 1 66 66 TYR CB C 13 40.07 0.1 . 1 . . . . . . . . 6259 1 597 . 1 1 66 66 TYR HB2 H 1 3.282 0.02 . 1 . . . . . . . . 6259 1 598 . 1 1 66 66 TYR HB3 H 1 2.337 0.02 . 1 . . . . . . . . 6259 1 599 . 1 1 66 66 TYR HD1 H 1 7.047 0.02 . 3 . . . . . . . . 6259 1 600 . 1 1 66 66 TYR HE1 H 1 6.577 0.02 . 3 . . . . . . . . 6259 1 601 . 1 1 67 67 MET H H 1 6.972 0.02 . 1 . . . . . . . . 6259 1 602 . 1 1 67 67 MET N N 15 113.7 0.1 . 1 . . . . . . . . 6259 1 603 . 1 1 67 67 MET CA C 13 57.71 0.1 . 1 . . . . . . . . 6259 1 604 . 1 1 67 67 MET HA H 1 3.868 0.02 . 1 . . . . . . . . 6259 1 605 . 1 1 67 67 MET C C 13 174.768 0.1 . 1 . . . . . . . . 6259 1 606 . 1 1 67 67 MET CB C 13 32.1 0.1 . 1 . . . . . . . . 6259 1 607 . 1 1 67 67 MET HB2 H 1 1.994 0.02 . 1 . . . . . . . . 6259 1 608 . 1 1 67 67 MET HB3 H 1 1.851 0.02 . 1 . . . . . . . . 6259 1 609 . 1 1 67 67 MET CG C 13 30.56 0.1 . 1 . . . . . . . . 6259 1 610 . 1 1 67 67 MET HG2 H 1 2.648 0.02 . 1 . . . . . . . . 6259 1 611 . 1 1 67 67 MET HG3 H 1 2.347 0.02 . 1 . . . . . . . . 6259 1 612 . 1 1 68 68 ASP H H 1 8.04 0.02 . 1 . . . . . . . . 6259 1 613 . 1 1 68 68 ASP N N 15 120 0.1 . 1 . . . . . . . . 6259 1 614 . 1 1 68 68 ASP CA C 13 55.56 0.1 . 1 . . . . . . . . 6259 1 615 . 1 1 68 68 ASP HA H 1 4.316 0.02 . 1 . . . . . . . . 6259 1 616 . 1 1 68 68 ASP C C 13 176.603 0.1 . 1 . . . . . . . . 6259 1 617 . 1 1 68 68 ASP CB C 13 40.14 0.1 . 1 . . . . . . . . 6259 1 618 . 1 1 68 68 ASP HB2 H 1 2.500 0.02 . 2 . . . . . . . . 6259 1 619 . 1 1 69 69 GLY H H 1 8.564 0.02 . 1 . . . . . . . . 6259 1 620 . 1 1 69 69 GLY N N 15 112.1 0.1 . 1 . . . . . . . . 6259 1 621 . 1 1 69 69 GLY CA C 13 45.26 0.1 . 1 . . . . . . . . 6259 1 622 . 1 1 69 69 GLY HA2 H 1 3.862 0.02 . 1 . . . . . . . . 6259 1 623 . 1 1 69 69 GLY HA3 H 1 3.577 0.02 . 1 . . . . . . . . 6259 1 624 . 1 1 69 69 GLY C C 13 173.38 0.1 . 1 . . . . . . . . 6259 1 625 . 1 1 70 70 VAL H H 1 7.214 0.02 . 1 . . . . . . . . 6259 1 626 . 1 1 70 70 VAL N N 15 116.5 0.1 . 1 . . . . . . . . 6259 1 627 . 1 1 70 70 VAL CA C 13 62.61 0.1 . 1 . . . . . . . . 6259 1 628 . 1 1 70 70 VAL HA H 1 3.656 0.02 . 1 . . . . . . . . 6259 1 629 . 1 1 70 70 VAL C C 13 174.482 0.1 . 1 . . . . . . . . 6259 1 630 . 1 1 70 70 VAL CB C 13 31.44 0.1 . 1 . . . . . . . . 6259 1 631 . 1 1 70 70 VAL HB H 1 1.962 0.02 . 1 . . . . . . . . 6259 1 632 . 1 1 70 70 VAL CG1 C 13 22.19 0.1 . 1 . . . . . . . . 6259 1 633 . 1 1 70 70 VAL HG11 H 1 0.848 0.02 . 2 . . . . . . . . 6259 1 634 . 1 1 70 70 VAL HG12 H 1 0.848 0.02 . 2 . . . . . . . . 6259 1 635 . 1 1 70 70 VAL HG13 H 1 0.848 0.02 . 2 . . . . . . . . 6259 1 636 . 1 1 70 70 VAL CG2 C 13 23.29 0.1 . 1 . . . . . . . . 6259 1 637 . 1 1 70 70 VAL HG21 H 1 0.832 0.02 . 2 . . . . . . . . 6259 1 638 . 1 1 70 70 VAL HG22 H 1 0.832 0.02 . 2 . . . . . . . . 6259 1 639 . 1 1 70 70 VAL HG23 H 1 0.832 0.02 . 2 . . . . . . . . 6259 1 640 . 1 1 71 71 HIS H H 1 9.061 0.02 . 1 . . . . . . . . 6259 1 641 . 1 1 71 71 HIS N N 15 120.7 0.1 . 1 . . . . . . . . 6259 1 642 . 1 1 71 71 HIS CA C 13 58.91 0.1 . 1 . . . . . . . . 6259 1 643 . 1 1 71 71 HIS HA H 1 4.411 0.02 . 1 . . . . . . . . 6259 1 644 . 1 1 71 71 HIS C C 13 174.44 0.1 . 1 . . . . . . . . 6259 1 645 . 1 1 71 71 HIS CB C 13 32.73 0.1 . 1 . . . . . . . . 6259 1 646 . 1 1 71 71 HIS HB2 H 1 2.675 0.02 . 2 . . . . . . . . 6259 1 647 . 1 1 72 72 LEU H H 1 7.144 0.02 . 1 . . . . . . . . 6259 1 648 . 1 1 72 72 LEU N N 15 114.9 0.1 . 1 . . . . . . . . 6259 1 649 . 1 1 72 72 LEU CA C 13 54.42 0.1 . 1 . . . . . . . . 6259 1 650 . 1 1 72 72 LEU HA H 1 4.575 0.02 . 1 . . . . . . . . 6259 1 651 . 1 1 72 72 LEU C C 13 172.36 0.1 . 1 . . . . . . . . 6259 1 652 . 1 1 72 72 LEU CB C 13 44.92 0.1 . 1 . . . . . . . . 6259 1 653 . 1 1 72 72 LEU HB2 H 1 1.614 0.02 . 1 . . . . . . . . 6259 1 654 . 1 1 72 72 LEU HB3 H 1 1.524 0.02 . 1 . . . . . . . . 6259 1 655 . 1 1 72 72 LEU CG C 13 26.69 0.1 . 1 . . . . . . . . 6259 1 656 . 1 1 72 72 LEU CD1 C 13 24.34 0.1 . 1 . . . . . . . . 6259 1 657 . 1 1 72 72 LEU HD11 H 1 0.890 0.02 . 2 . . . . . . . . 6259 1 658 . 1 1 72 72 LEU HD12 H 1 0.890 0.02 . 2 . . . . . . . . 6259 1 659 . 1 1 72 72 LEU HD13 H 1 0.890 0.02 . 2 . . . . . . . . 6259 1 660 . 1 1 72 72 LEU CD2 C 13 22.89 0.1 . 1 . . . . . . . . 6259 1 661 . 1 1 72 72 LEU HD21 H 1 0.822 0.02 . 2 . . . . . . . . 6259 1 662 . 1 1 72 72 LEU HD22 H 1 0.822 0.02 . 2 . . . . . . . . 6259 1 663 . 1 1 72 72 LEU HD23 H 1 0.822 0.02 . 2 . . . . . . . . 6259 1 664 . 1 1 72 72 LEU HG H 1 1.366 0.02 . 1 . . . . . . . . 6259 1 665 . 1 1 73 73 ILE H H 1 8.645 0.02 . 1 . . . . . . . . 6259 1 666 . 1 1 73 73 ILE N N 15 123.6 0.1 . 1 . . . . . . . . 6259 1 667 . 1 1 73 73 ILE CA C 13 59.23 0.1 . 1 . . . . . . . . 6259 1 668 . 1 1 73 73 ILE HA H 1 4.585 0.02 . 1 . . . . . . . . 6259 1 669 . 1 1 73 73 ILE C C 13 172.829 0.1 . 1 . . . . . . . . 6259 1 670 . 1 1 73 73 ILE CB C 13 40.21 0.1 . 1 . . . . . . . . 6259 1 671 . 1 1 73 73 ILE HB H 1 1.498 0.02 . 1 . . . . . . . . 6259 1 672 . 1 1 73 73 ILE CG2 C 13 16.89 0.1 . 1 . . . . . . . . 6259 1 673 . 1 1 73 73 ILE HG21 H 1 0.468 0.02 . 1 . . . . . . . . 6259 1 674 . 1 1 73 73 ILE HG22 H 1 0.468 0.02 . 1 . . . . . . . . 6259 1 675 . 1 1 73 73 ILE HG23 H 1 0.468 0.02 . 1 . . . . . . . . 6259 1 676 . 1 1 73 73 ILE CG1 C 13 27.61 0.1 . 1 . . . . . . . . 6259 1 677 . 1 1 73 73 ILE HG12 H 1 1.445 0.02 . 1 . . . . . . . . 6259 1 678 . 1 1 73 73 ILE HG13 H 1 0.553 0.02 . 1 . . . . . . . . 6259 1 679 . 1 1 73 73 ILE CD1 C 13 14.44 0.1 . 1 . . . . . . . . 6259 1 680 . 1 1 73 73 ILE HD11 H 1 0.384 0.02 . 1 . . . . . . . . 6259 1 681 . 1 1 73 73 ILE HD12 H 1 0.384 0.02 . 1 . . . . . . . . 6259 1 682 . 1 1 73 73 ILE HD13 H 1 0.384 0.02 . 1 . . . . . . . . 6259 1 683 . 1 1 74 74 CYS H H 1 9.472 0.02 . 1 . . . . . . . . 6259 1 684 . 1 1 74 74 CYS N N 15 125.9 0.1 . 1 . . . . . . . . 6259 1 685 . 1 1 74 74 CYS CA C 13 55.07 0.1 . 1 . . . . . . . . 6259 1 686 . 1 1 74 74 CYS HA H 1 5.567 0.02 . 1 . . . . . . . . 6259 1 687 . 1 1 74 74 CYS C C 13 173.214 0.1 . 1 . . . . . . . . 6259 1 688 . 1 1 74 74 CYS CB C 13 27.64 0.1 . 1 . . . . . . . . 6259 1 689 . 1 1 74 74 CYS HB2 H 1 2.717 0.02 . 1 . . . . . . . . 6259 1 690 . 1 1 74 74 CYS HB3 H 1 2.205 0.02 . 1 . . . . . . . . 6259 1 691 . 1 1 75 75 THR H H 1 8.64 0.02 . 1 . . . . . . . . 6259 1 692 . 1 1 75 75 THR N N 15 117.5 0.1 . 1 . . . . . . . . 6259 1 693 . 1 1 75 75 THR CA C 13 58.26 0.1 . 1 . . . . . . . . 6259 1 694 . 1 1 75 75 THR HA H 1 5.504 0.02 . 1 . . . . . . . . 6259 1 695 . 1 1 75 75 THR C C 13 174.427 0.1 . 1 . . . . . . . . 6259 1 696 . 1 1 75 75 THR CB C 13 69.92 0.1 . 1 . . . . . . . . 6259 1 697 . 1 1 75 75 THR HB H 1 4.195 0.02 . 1 . . . . . . . . 6259 1 698 . 1 1 75 75 THR CG2 C 13 20.56 0.1 . 1 . . . . . . . . 6259 1 699 . 1 1 75 75 THR HG21 H 1 1.186 0.02 . 1 . . . . . . . . 6259 1 700 . 1 1 75 75 THR HG22 H 1 1.186 0.02 . 1 . . . . . . . . 6259 1 701 . 1 1 75 75 THR HG23 H 1 1.186 0.02 . 1 . . . . . . . . 6259 1 702 . 1 1 76 76 THR H H 1 8.542 0.02 . 1 . . . . . . . . 6259 1 703 . 1 1 76 76 THR N N 15 112.6 0.1 . 1 . . . . . . . . 6259 1 704 . 1 1 76 76 THR CA C 13 61.51 0.1 . 1 . . . . . . . . 6259 1 705 . 1 1 76 76 THR HA H 1 4.295 0.02 . 1 . . . . . . . . 6259 1 706 . 1 1 76 76 THR C C 13 172.277 0.1 . 1 . . . . . . . . 6259 1 707 . 1 1 76 76 THR CB C 13 67.41 0.1 . 1 . . . . . . . . 6259 1 708 . 1 1 76 76 THR HB H 1 4.543 0.02 . 1 . . . . . . . . 6259 1 709 . 1 1 76 76 THR CG2 C 13 21.01 0.1 . 1 . . . . . . . . 6259 1 710 . 1 1 76 76 THR HG21 H 1 0.964 0.02 . 1 . . . . . . . . 6259 1 711 . 1 1 76 76 THR HG22 H 1 0.964 0.02 . 1 . . . . . . . . 6259 1 712 . 1 1 76 76 THR HG23 H 1 0.964 0.02 . 1 . . . . . . . . 6259 1 713 . 1 1 77 77 ALA H H 1 7.799 0.02 . 1 . . . . . . . . 6259 1 714 . 1 1 77 77 ALA N N 15 122 0.1 . 1 . . . . . . . . 6259 1 715 . 1 1 77 77 ALA CA C 13 49.9 0.1 . 1 . . . . . . . . 6259 1 716 . 1 1 77 77 ALA C C 13 175.501 0.1 . 1 . . . . . . . . 6259 1 717 . 1 1 77 77 ALA CB C 13 21.58 0.1 . 1 . . . . . . . . 6259 1 718 . 1 1 77 77 ALA HB1 H 1 1.334 0.02 . 1 . . . . . . . . 6259 1 719 . 1 1 77 77 ALA HB2 H 1 1.334 0.02 . 1 . . . . . . . . 6259 1 720 . 1 1 77 77 ALA HB3 H 1 1.334 0.02 . 1 . . . . . . . . 6259 1 721 . 1 1 78 78 ARG H H 1 8.426 0.02 . 1 . . . . . . . . 6259 1 722 . 1 1 78 78 ARG N N 15 119.5 0.1 . 1 . . . . . . . . 6259 1 723 . 1 1 78 78 ARG CA C 13 56.57 0.1 . 1 . . . . . . . . 6259 1 724 . 1 1 78 78 ARG HA H 1 4.015 0.02 . 1 . . . . . . . . 6259 1 725 . 1 1 78 78 ARG C C 13 175.253 0.1 . 1 . . . . . . . . 6259 1 726 . 1 1 78 78 ARG CB C 13 29.28 0.1 . 1 . . . . . . . . 6259 1 727 . 1 1 78 78 ARG HB2 H 1 1.698 0.02 . 1 . . . . . . . . 6259 1 728 . 1 1 78 78 ARG HB3 H 1 1.645 0.02 . 1 . . . . . . . . 6259 1 729 . 1 1 78 78 ARG CG C 13 26.65 0.1 . 1 . . . . . . . . 6259 1 730 . 1 1 78 78 ARG HG2 H 1 1.624 0.02 . 1 . . . . . . . . 6259 1 731 . 1 1 78 78 ARG HG3 H 1 1.529 0.02 . 1 . . . . . . . . 6259 1 732 . 1 1 78 78 ARG CD C 13 42.64 0.1 . 1 . . . . . . . . 6259 1 733 . 1 1 78 78 ARG HD2 H 1 3.107 0.02 . 2 . . . . . . . . 6259 1 734 . 1 1 79 79 VAL H H 1 8.298 0.02 . 1 . . . . . . . . 6259 1 735 . 1 1 79 79 VAL N N 15 120.6 0.1 . 1 . . . . . . . . 6259 1 736 . 1 1 79 79 VAL CA C 13 60.37 0.1 . 1 . . . . . . . . 6259 1 737 . 1 1 79 79 VAL HA H 1 4.395 0.02 . 1 . . . . . . . . 6259 1 738 . 1 1 79 79 VAL C C 13 174.372 0.1 . 1 . . . . . . . . 6259 1 739 . 1 1 79 79 VAL CB C 13 34.06 0.1 . 1 . . . . . . . . 6259 1 740 . 1 1 79 79 VAL HB H 1 2.168 0.02 . 1 . . . . . . . . 6259 1 741 . 1 1 79 79 VAL CG1 C 13 21.16 0.1 . 1 . . . . . . . . 6259 1 742 . 1 1 79 79 VAL HG11 H 1 1.049 0.02 . 2 . . . . . . . . 6259 1 743 . 1 1 79 79 VAL HG12 H 1 1.049 0.02 . 2 . . . . . . . . 6259 1 744 . 1 1 79 79 VAL HG13 H 1 1.049 0.02 . 2 . . . . . . . . 6259 1 745 . 1 1 79 79 VAL CG2 C 13 20.5 0.1 . 1 . . . . . . . . 6259 1 746 . 1 1 79 79 VAL HG21 H 1 1.054 0.02 . 2 . . . . . . . . 6259 1 747 . 1 1 79 79 VAL HG22 H 1 1.054 0.02 . 2 . . . . . . . . 6259 1 748 . 1 1 79 79 VAL HG23 H 1 1.054 0.02 . 2 . . . . . . . . 6259 1 749 . 1 1 80 80 ASP H H 1 8.52 0.02 . 1 . . . . . . . . 6259 1 750 . 1 1 80 80 ASP N N 15 122.9 0.1 . 1 . . . . . . . . 6259 1 751 . 1 1 80 80 ASP CA C 13 53.4 0.1 . 1 . . . . . . . . 6259 1 752 . 1 1 80 80 ASP HA H 1 4.512 0.02 . 1 . . . . . . . . 6259 1 753 . 1 1 80 80 ASP C C 13 174.399 0.1 . 1 . . . . . . . . 6259 1 754 . 1 1 80 80 ASP CB C 13 40.47 0.1 . 1 . . . . . . . . 6259 1 755 . 1 1 80 80 ASP HB2 H 1 2.675 0.02 . 1 . . . . . . . . 6259 1 756 . 1 1 80 80 ASP HB3 H 1 2.569 0.02 . 1 . . . . . . . . 6259 1 757 . 1 1 81 81 ARG H H 1 7.098 0.02 . 1 . . . . . . . . 6259 1 758 . 1 1 81 81 ARG N N 15 114.7 0.1 . 1 . . . . . . . . 6259 1 759 . 1 1 81 81 ARG CA C 13 53.88 0.1 . 1 . . . . . . . . 6259 1 760 . 1 1 81 81 ARG C C 13 172.691 0.1 . 1 . . . . . . . . 6259 1 761 . 1 1 81 81 ARG CB C 13 30.89 0.1 . 1 . . . . . . . . 6259 1 762 . 1 1 82 82 SER H H 1 7.882 0.02 . 1 . . . . . . . . 6259 1 763 . 1 1 82 82 SER N N 15 111.2 0.1 . 1 . . . . . . . . 6259 1 764 . 1 1 82 82 SER CA C 13 56.09 0.1 . 1 . . . . . . . . 6259 1 765 . 1 1 82 82 SER HA H 1 4.427 0.02 . 1 . . . . . . . . 6259 1 766 . 1 1 82 82 SER C C 13 172.994 0.1 . 1 . . . . . . . . 6259 1 767 . 1 1 82 82 SER CB C 13 64.34 0.1 . 1 . . . . . . . . 6259 1 768 . 1 1 82 82 SER HB2 H 1 3.783 0.02 . 1 . . . . . . . . 6259 1 769 . 1 1 82 82 SER HB3 H 1 3.72 0.02 . 1 . . . . . . . . 6259 1 770 . 1 1 83 83 PHE H H 1 8.746 0.02 . 1 . . . . . . . . 6259 1 771 . 1 1 83 83 PHE N N 15 121.4 0.1 . 1 . . . . . . . . 6259 1 772 . 1 1 83 83 PHE CA C 13 56.06 0.1 . 1 . . . . . . . . 6259 1 773 . 1 1 83 83 PHE HA H 1 4.607 0.02 . 1 . . . . . . . . 6259 1 774 . 1 1 83 83 PHE C C 13 174.675 0.1 . 1 . . . . . . . . 6259 1 775 . 1 1 83 83 PHE CB C 13 38.73 0.1 . 1 . . . . . . . . 6259 1 776 . 1 1 83 83 PHE HB2 H 1 3.102 0.02 . 1 . . . . . . . . 6259 1 777 . 1 1 83 83 PHE HB3 H 1 2.606 0.02 . 1 . . . . . . . . 6259 1 778 . 1 1 83 83 PHE HD1 H 1 6.979 0.02 . 3 . . . . . . . . 6259 1 779 . 1 1 83 83 PHE HE1 H 1 6.984 0.02 . 3 . . . . . . . . 6259 1 780 . 1 1 83 83 PHE HZ H 1 6.900 0.02 . 1 . . . . . . . . 6259 1 781 . 1 1 84 84 GLY H H 1 8.241 0.02 . 1 . . . . . . . . 6259 1 782 . 1 1 84 84 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 6259 1 783 . 1 1 84 84 GLY CA C 13 46.35 0.1 . 1 . . . . . . . . 6259 1 784 . 1 1 84 84 GLY HA2 H 1 3.862 0.02 . 1 . . . . . . . . 6259 1 785 . 1 1 84 84 GLY HA3 H 1 3.641 0.02 . 1 . . . . . . . . 6259 1 786 . 1 1 84 84 GLY C C 13 174.316 0.1 . 1 . . . . . . . . 6259 1 787 . 1 1 85 85 ASP H H 1 8.71 0.02 . 1 . . . . . . . . 6259 1 788 . 1 1 85 85 ASP N N 15 124.2 0.1 . 1 . . . . . . . . 6259 1 789 . 1 1 85 85 ASP CA C 13 53.3 0.1 . 1 . . . . . . . . 6259 1 790 . 1 1 85 85 ASP HA H 1 4.644 0.02 . 1 . . . . . . . . 6259 1 791 . 1 1 85 85 ASP C C 13 175.404 0.1 . 1 . . . . . . . . 6259 1 792 . 1 1 85 85 ASP CB C 13 40.1 0.1 . 1 . . . . . . . . 6259 1 793 . 1 1 85 85 ASP HB2 H 1 2.796 0.02 . 1 . . . . . . . . 6259 1 794 . 1 1 85 85 ASP HB3 H 1 2.585 0.02 . 1 . . . . . . . . 6259 1 795 . 1 1 86 86 ILE H H 1 7.746 0.02 . 1 . . . . . . . . 6259 1 796 . 1 1 86 86 ILE N N 15 122.1 0.1 . 1 . . . . . . . . 6259 1 797 . 1 1 86 86 ILE CA C 13 59.27 0.1 . 1 . . . . . . . . 6259 1 798 . 1 1 86 86 ILE HA H 1 4.147 0.02 . 1 . . . . . . . . 6259 1 799 . 1 1 86 86 ILE C C 13 176 0.1 . 1 . . . . . . . . 6259 1 800 . 1 1 86 86 ILE CB C 13 38.71 0.1 . 1 . . . . . . . . 6259 1 801 . 1 1 86 86 ILE HB H 1 1.904 0.02 . 1 . . . . . . . . 6259 1 802 . 1 1 86 86 ILE CG2 C 13 16.62 0.1 . 1 . . . . . . . . 6259 1 803 . 1 1 86 86 ILE HG21 H 1 0.748 0.02 . 1 . . . . . . . . 6259 1 804 . 1 1 86 86 ILE HG22 H 1 0.748 0.02 . 1 . . . . . . . . 6259 1 805 . 1 1 86 86 ILE HG23 H 1 0.748 0.02 . 1 . . . . . . . . 6259 1 806 . 1 1 86 86 ILE CG1 C 13 27.24 0.1 . 1 . . . . . . . . 6259 1 807 . 1 1 86 86 ILE HG12 H 1 1.719 0.02 . 1 . . . . . . . . 6259 1 808 . 1 1 86 86 ILE HG13 H 1 1.102 0.02 . 1 . . . . . . . . 6259 1 809 . 1 1 86 86 ILE CD1 C 13 13.53 0.1 . 1 . . . . . . . . 6259 1 810 . 1 1 86 86 ILE HD11 H 1 0.896 0.02 . 1 . . . . . . . . 6259 1 811 . 1 1 86 86 ILE HD12 H 1 0.896 0.02 . 1 . . . . . . . . 6259 1 812 . 1 1 86 86 ILE HD13 H 1 0.896 0.02 . 1 . . . . . . . . 6259 1 813 . 1 1 87 87 PRO CA C 13 63.16 0.1 . 1 . . . . . . . . 6259 1 814 . 1 1 87 87 PRO HA H 1 4.295 0.02 . 1 . . . . . . . . 6259 1 815 . 1 1 87 87 PRO C C 13 173.297 0.1 . 1 . . . . . . . . 6259 1 816 . 1 1 87 87 PRO CB C 13 32.12 0.1 . 1 . . . . . . . . 6259 1 817 . 1 1 87 87 PRO HB2 H 1 2.268 0.02 . 1 . . . . . . . . 6259 1 818 . 1 1 87 87 PRO HB3 H 1 1.851 0.02 . 1 . . . . . . . . 6259 1 819 . 1 1 87 87 PRO CD C 13 50.54 0.1 . 1 . . . . . . . . 6259 1 820 . 1 1 87 87 PRO HD2 H 1 4.079 0.02 . 1 . . . . . . . . 6259 1 821 . 1 1 87 87 PRO HD3 H 1 3.762 0.02 . 1 . . . . . . . . 6259 1 822 . 1 1 88 88 LEU H H 1 7.929 0.02 . 1 . . . . . . . . 6259 1 823 . 1 1 88 88 LEU N N 15 122.8 0.1 . 1 . . . . . . . . 6259 1 824 . 1 1 88 88 LEU CA C 13 52.92 0.1 . 1 . . . . . . . . 6259 1 825 . 1 1 88 88 LEU HA H 1 5.499 0.02 . 1 . . . . . . . . 6259 1 826 . 1 1 88 88 LEU C C 13 176.493 0.1 . 1 . . . . . . . . 6259 1 827 . 1 1 88 88 LEU CB C 13 44.9 0.1 . 1 . . . . . . . . 6259 1 828 . 1 1 88 88 LEU HB2 H 1 1.714 0.02 . 1 . . . . . . . . 6259 1 829 . 1 1 88 88 LEU HB3 H 1 1.524 0.02 . 1 . . . . . . . . 6259 1 830 . 1 1 88 88 LEU CG C 13 27.28 0.1 . 1 . . . . . . . . 6259 1 831 . 1 1 88 88 LEU CD1 C 13 25.53 0.1 . 1 . . . . . . . . 6259 1 832 . 1 1 88 88 LEU HD11 H 1 0.954 0.02 . 2 . . . . . . . . 6259 1 833 . 1 1 88 88 LEU HD12 H 1 0.954 0.02 . 2 . . . . . . . . 6259 1 834 . 1 1 88 88 LEU HD13 H 1 0.954 0.02 . 2 . . . . . . . . 6259 1 835 . 1 1 88 88 LEU CD2 C 13 24.93 0.1 . 1 . . . . . . . . 6259 1 836 . 1 1 88 88 LEU HD21 H 1 0.848 0.02 . 2 . . . . . . . . 6259 1 837 . 1 1 88 88 LEU HD22 H 1 0.848 0.02 . 2 . . . . . . . . 6259 1 838 . 1 1 88 88 LEU HD23 H 1 0.848 0.02 . 2 . . . . . . . . 6259 1 839 . 1 1 88 88 LEU HG H 1 1.439 0.02 . 1 . . . . . . . . 6259 1 840 . 1 1 89 89 VAL H H 1 9.066 0.02 . 1 . . . . . . . . 6259 1 841 . 1 1 89 89 VAL N N 15 117.2 0.1 . 1 . . . . . . . . 6259 1 842 . 1 1 89 89 VAL CA C 13 57.84 0.1 . 1 . . . . . . . . 6259 1 843 . 1 1 89 89 VAL HA H 1 4.659 0.02 . 1 . . . . . . . . 6259 1 844 . 1 1 89 89 VAL C C 13 173.242 0.1 . 1 . . . . . . . . 6259 1 845 . 1 1 89 89 VAL CB C 13 34.12 0.1 . 1 . . . . . . . . 6259 1 846 . 1 1 89 89 VAL HB H 1 2.025 0.02 . 1 . . . . . . . . 6259 1 847 . 1 1 89 89 VAL CG1 C 13 18.43 0.1 . 1 . . . . . . . . 6259 1 848 . 1 1 89 89 VAL HG11 H 1 0.774 0.02 . 2 . . . . . . . . 6259 1 849 . 1 1 89 89 VAL HG12 H 1 0.774 0.02 . 2 . . . . . . . . 6259 1 850 . 1 1 89 89 VAL HG13 H 1 0.774 0.02 . 2 . . . . . . . . 6259 1 851 . 1 1 89 89 VAL CG2 C 13 20.88 0.1 . 1 . . . . . . . . 6259 1 852 . 1 1 89 89 VAL HG21 H 1 0.754 0.02 . 2 . . . . . . . . 6259 1 853 . 1 1 89 89 VAL HG22 H 1 0.754 0.02 . 2 . . . . . . . . 6259 1 854 . 1 1 89 89 VAL HG23 H 1 0.754 0.02 . 2 . . . . . . . . 6259 1 855 . 1 1 90 90 HIS H H 1 8.612 0.02 . 1 . . . . . . . . 6259 1 856 . 1 1 90 90 HIS N N 15 121.7 0.1 . 1 . . . . . . . . 6259 1 857 . 1 1 90 90 HIS CA C 13 54.63 0.1 . 1 . . . . . . . . 6259 1 858 . 1 1 90 90 HIS HA H 1 5.14 0.02 . 1 . . . . . . . . 6259 1 859 . 1 1 90 90 HIS C C 13 176.052 0.1 . 1 . . . . . . . . 6259 1 860 . 1 1 90 90 HIS CB C 13 30.67 0.1 . 1 . . . . . . . . 6259 1 861 . 1 1 90 90 HIS HB2 H 1 3.218 0.02 . 1 . . . . . . . . 6259 1 862 . 1 1 90 90 HIS HB3 H 1 3.007 0.02 . 1 . . . . . . . . 6259 1 863 . 1 1 91 91 GLY H H 1 8.943 0.02 . 1 . . . . . . . . 6259 1 864 . 1 1 91 91 GLY N N 15 107.9 0.1 . 1 . . . . . . . . 6259 1 865 . 1 1 91 91 GLY CA C 13 44.83 0.1 . 1 . . . . . . . . 6259 1 866 . 1 1 91 91 GLY HA2 H 1 4.026 0.02 . 1 . . . . . . . . 6259 1 867 . 1 1 91 91 GLY HA3 H 1 3.208 0.02 . 1 . . . . . . . . 6259 1 868 . 1 1 91 91 GLY C C 13 173.269 0.1 . 1 . . . . . . . . 6259 1 869 . 1 1 92 92 MET H H 1 7.83 0.02 . 1 . . . . . . . . 6259 1 870 . 1 1 92 92 MET N N 15 119.1 0.1 . 1 . . . . . . . . 6259 1 871 . 1 1 92 92 MET CA C 13 59.272 0.1 . 1 . . . . . . . . 6259 1 872 . 1 1 92 92 MET C C 13 177.5 0.1 . 1 . . . . . . . . 6259 1 873 . 1 1 92 92 MET CB C 13 28.176 0.1 . 1 . . . . . . . . 6259 1 874 . 1 1 93 93 PRO CA C 13 65.52 0.1 . 1 . . . . . . . . 6259 1 875 . 1 1 93 93 PRO HA H 1 4.395 0.02 . 1 . . . . . . . . 6259 1 876 . 1 1 93 93 PRO C C 13 177.017 0.1 . 1 . . . . . . . . 6259 1 877 . 1 1 93 93 PRO CB C 13 30.32 0.1 . 1 . . . . . . . . 6259 1 878 . 1 1 93 93 PRO HB2 H 1 1.999 0.02 . 2 . . . . . . . . 6259 1 879 . 1 1 93 93 PRO CG C 13 27.7 0.1 . 1 . . . . . . . . 6259 1 880 . 1 1 93 93 PRO HG2 H 1 1.841 0.02 . 2 . . . . . . . . 6259 1 881 . 1 1 93 93 PRO CD C 13 50.1 0.1 . 1 . . . . . . . . 6259 1 882 . 1 1 93 93 PRO HD2 H 1 3.583 0.02 . 1 . . . . . . . . 6259 1 883 . 1 1 93 93 PRO HD3 H 1 3.229 0.02 . 1 . . . . . . . . 6259 1 884 . 1 1 94 94 PHE H H 1 7.334 0.02 . 1 . . . . . . . . 6259 1 885 . 1 1 94 94 PHE N N 15 108.8 0.1 . 1 . . . . . . . . 6259 1 886 . 1 1 94 94 PHE CA C 13 58.43 0.1 . 1 . . . . . . . . 6259 1 887 . 1 1 94 94 PHE HA H 1 4.406 0.02 . 1 . . . . . . . . 6259 1 888 . 1 1 94 94 PHE C C 13 175.474 0.1 . 1 . . . . . . . . 6259 1 889 . 1 1 94 94 PHE CB C 13 37.5 0.1 . 1 . . . . . . . . 6259 1 890 . 1 1 94 94 PHE HD1 H 1 7.130 0.02 . 3 . . . . . . . . 6259 1 891 . 1 1 94 94 PHE HE1 H 1 7.073 0.02 . 3 . . . . . . . . 6259 1 892 . 1 1 94 94 PHE HZ H 1 6.725 0.02 . 1 . . . . . . . . 6259 1 893 . 1 1 95 95 VAL H H 1 7.857 0.02 . 1 . . . . . . . . 6259 1 894 . 1 1 95 95 VAL N N 15 115.2 0.1 . 1 . . . . . . . . 6259 1 895 . 1 1 95 95 VAL CA C 13 63.14 0.1 . 1 . . . . . . . . 6259 1 896 . 1 1 95 95 VAL HA H 1 4.047 0.02 . 1 . . . . . . . . 6259 1 897 . 1 1 95 95 VAL C C 13 176.879 0.1 . 1 . . . . . . . . 6259 1 898 . 1 1 95 95 VAL CB C 13 32.28 0.1 . 1 . . . . . . . . 6259 1 899 . 1 1 95 95 VAL HB H 1 2.342 0.02 . 1 . . . . . . . . 6259 1 900 . 1 1 95 95 VAL CG1 C 13 20.52 0.1 . 1 . . . . . . . . 6259 1 901 . 1 1 95 95 VAL HG11 H 1 0.959 0.02 . 1 . . . . . . . . 6259 1 902 . 1 1 95 95 VAL HG12 H 1 0.959 0.02 . 1 . . . . . . . . 6259 1 903 . 1 1 95 95 VAL HG13 H 1 0.959 0.02 . 1 . . . . . . . . 6259 1 904 . 1 1 95 95 VAL CG2 C 13 20.52 0.1 . 1 . . . . . . . . 6259 1 905 . 1 1 95 95 VAL HG21 H 1 0.96 0.02 . 1 . . . . . . . . 6259 1 906 . 1 1 95 95 VAL HG22 H 1 0.96 0.02 . 1 . . . . . . . . 6259 1 907 . 1 1 95 95 VAL HG23 H 1 0.96 0.02 . 1 . . . . . . . . 6259 1 908 . 1 1 96 96 SER H H 1 8.385 0.02 . 1 . . . . . . . . 6259 1 909 . 1 1 96 96 SER N N 15 112.7 0.1 . 1 . . . . . . . . 6259 1 910 . 1 1 96 96 SER CA C 13 58.47 0.1 . 1 . . . . . . . . 6259 1 911 . 1 1 96 96 SER HA H 1 4.332 0.02 . 1 . . . . . . . . 6259 1 912 . 1 1 96 96 SER C C 13 175.694 0.1 . 1 . . . . . . . . 6259 1 913 . 1 1 96 96 SER CB C 13 63.84 0.1 . 1 . . . . . . . . 6259 1 914 . 1 1 96 96 SER HB2 H 1 3.978 0.02 . 1 . . . . . . . . 6259 1 915 . 1 1 96 96 SER HB3 H 1 3.81 0.02 . 1 . . . . . . . . 6259 1 916 . 1 1 97 97 GLY H H 1 8.216 0.02 . 1 . . . . . . . . 6259 1 917 . 1 1 97 97 GLY N N 15 109.5 0.1 . 1 . . . . . . . . 6259 1 918 . 1 1 97 97 GLY CA C 13 45.19 0.1 . 1 . . . . . . . . 6259 1 919 . 1 1 97 97 GLY HA2 H 1 4.227 0.02 . 1 . . . . . . . . 6259 1 920 . 1 1 97 97 GLY HA3 H 1 3.672 0.02 . 1 . . . . . . . . 6259 1 921 . 1 1 97 97 GLY C C 13 173.242 0.1 . 1 . . . . . . . . 6259 1 922 . 1 1 98 98 VAL H H 1 7.923 0.02 . 1 . . . . . . . . 6259 1 923 . 1 1 98 98 VAL N N 15 120.9 0.1 . 1 . . . . . . . . 6259 1 924 . 1 1 98 98 VAL CA C 13 62.08 0.1 . 1 . . . . . . . . 6259 1 925 . 1 1 98 98 VAL HA H 1 4.053 0.02 . 1 . . . . . . . . 6259 1 926 . 1 1 98 98 VAL C C 13 175.914 0.1 . 1 . . . . . . . . 6259 1 927 . 1 1 98 98 VAL CB C 13 31.54 0.1 . 1 . . . . . . . . 6259 1 928 . 1 1 98 98 VAL HB H 1 2.046 0.02 . 1 . . . . . . . . 6259 1 929 . 1 1 98 98 VAL CG1 C 13 19.97 0.1 . 1 . . . . . . . . 6259 1 930 . 1 1 98 98 VAL HG11 H 1 0.891 0.02 . 2 . . . . . . . . 6259 1 931 . 1 1 98 98 VAL HG12 H 1 0.891 0.02 . 2 . . . . . . . . 6259 1 932 . 1 1 98 98 VAL HG13 H 1 0.891 0.02 . 2 . . . . . . . . 6259 1 933 . 1 1 98 98 VAL CG2 C 13 20.48 0.1 . 1 . . . . . . . . 6259 1 934 . 1 1 98 98 VAL HG21 H 1 0.912 0.02 . 2 . . . . . . . . 6259 1 935 . 1 1 98 98 VAL HG22 H 1 0.912 0.02 . 2 . . . . . . . . 6259 1 936 . 1 1 98 98 VAL HG23 H 1 0.912 0.02 . 2 . . . . . . . . 6259 1 937 . 1 1 99 99 GLY H H 1 9.006 0.02 . 1 . . . . . . . . 6259 1 938 . 1 1 99 99 GLY N N 15 113.9 0.1 . 1 . . . . . . . . 6259 1 939 . 1 1 99 99 GLY CA C 13 44.83 0.1 . 1 . . . . . . . . 6259 1 940 . 1 1 99 99 GLY HA2 H 1 3.915 0.02 . 2 . . . . . . . . 6259 1 941 . 1 1 99 99 GLY C C 13 175.859 0.1 . 1 . . . . . . . . 6259 1 942 . 1 1 100 100 ILE H H 1 7.517 0.02 . 1 . . . . . . . . 6259 1 943 . 1 1 100 100 ILE N N 15 118.4 0.1 . 1 . . . . . . . . 6259 1 944 . 1 1 100 100 ILE CA C 13 63.83 0.1 . 1 . . . . . . . . 6259 1 945 . 1 1 100 100 ILE HA H 1 3.366 0.02 . 1 . . . . . . . . 6259 1 946 . 1 1 100 100 ILE C C 13 175.419 0.1 . 1 . . . . . . . . 6259 1 947 . 1 1 100 100 ILE CB C 13 37.22 0.1 . 1 . . . . . . . . 6259 1 948 . 1 1 100 100 ILE HB H 1 1.587 0.02 . 1 . . . . . . . . 6259 1 949 . 1 1 100 100 ILE CG2 C 13 16.45 0.1 . 1 . . . . . . . . 6259 1 950 . 1 1 100 100 ILE HG21 H 1 0.864 0.02 . 1 . . . . . . . . 6259 1 951 . 1 1 100 100 ILE HG22 H 1 0.864 0.02 . 1 . . . . . . . . 6259 1 952 . 1 1 100 100 ILE HG23 H 1 0.864 0.02 . 1 . . . . . . . . 6259 1 953 . 1 1 100 100 ILE CG1 C 13 29.31 0.1 . 1 . . . . . . . . 6259 1 954 . 1 1 100 100 ILE HG12 H 1 1.16 0.02 . 1 . . . . . . . . 6259 1 955 . 1 1 100 100 ILE HG13 H 1 0.854 0.02 . 1 . . . . . . . . 6259 1 956 . 1 1 100 100 ILE CD1 C 13 13.53 0.1 . 1 . . . . . . . . 6259 1 957 . 1 1 100 100 ILE HD11 H 1 0.896 0.02 . 1 . . . . . . . . 6259 1 958 . 1 1 100 100 ILE HD12 H 1 0.896 0.02 . 1 . . . . . . . . 6259 1 959 . 1 1 100 100 ILE HD13 H 1 0.896 0.02 . 1 . . . . . . . . 6259 1 960 . 1 1 101 101 GLU H H 1 8.716 0.02 . 1 . . . . . . . . 6259 1 961 . 1 1 101 101 GLU N N 15 121.1 0.1 . 1 . . . . . . . . 6259 1 962 . 1 1 101 101 GLU CA C 13 59.57 0.1 . 1 . . . . . . . . 6259 1 963 . 1 1 101 101 GLU HA H 1 4.073 0.02 . 1 . . . . . . . . 6259 1 964 . 1 1 101 101 GLU C C 13 178.27 0.1 . 1 . . . . . . . . 6259 1 965 . 1 1 101 101 GLU CB C 13 27.68 0.1 . 1 . . . . . . . . 6259 1 966 . 1 1 101 101 GLU HB2 H 1 1.988 0.02 . 2 . . . . . . . . 6259 1 967 . 1 1 101 101 GLU CG C 13 36.13 0.1 . 1 . . . . . . . . 6259 1 968 . 1 1 101 101 GLU HG2 H 1 2.279 0.02 . 2 . . . . . . . . 6259 1 969 . 1 1 102 102 ALA H H 1 7.952 0.02 . 1 . . . . . . . . 6259 1 970 . 1 1 102 102 ALA N N 15 118.9 0.1 . 1 . . . . . . . . 6259 1 971 . 1 1 102 102 ALA CA C 13 54.02 0.1 . 1 . . . . . . . . 6259 1 972 . 1 1 102 102 ALA HA H 1 4.116 0.02 . 1 . . . . . . . . 6259 1 973 . 1 1 102 102 ALA C C 13 180.089 0.1 . 1 . . . . . . . . 6259 1 974 . 1 1 102 102 ALA CB C 13 17.29 0.1 . 1 . . . . . . . . 6259 1 975 . 1 1 102 102 ALA HB1 H 1 1.366 0.02 . 1 . . . . . . . . 6259 1 976 . 1 1 102 102 ALA HB2 H 1 1.366 0.02 . 1 . . . . . . . . 6259 1 977 . 1 1 102 102 ALA HB3 H 1 1.366 0.02 . 1 . . . . . . . . 6259 1 978 . 1 1 103 103 LEU H H 1 7.277 0.02 . 1 . . . . . . . . 6259 1 979 . 1 1 103 103 LEU N N 15 118.7 0.1 . 1 . . . . . . . . 6259 1 980 . 1 1 103 103 LEU CA C 13 57.01 0.1 . 1 . . . . . . . . 6259 1 981 . 1 1 103 103 LEU HA H 1 4.174 0.02 . 1 . . . . . . . . 6259 1 982 . 1 1 103 103 LEU C C 13 177.761 0.1 . 1 . . . . . . . . 6259 1 983 . 1 1 103 103 LEU CB C 13 40.23 0.1 . 1 . . . . . . . . 6259 1 984 . 1 1 103 103 LEU HB2 H 1 1.635 0.02 . 1 . . . . . . . . 6259 1 985 . 1 1 103 103 LEU HB3 H 1 1.318 0.02 . 1 . . . . . . . . 6259 1 986 . 1 1 103 103 LEU CG C 13 26.45 0.1 . 1 . . . . . . . . 6259 1 987 . 1 1 103 103 LEU CD1 C 13 25.84 0.1 . 1 . . . . . . . . 6259 1 988 . 1 1 103 103 LEU HD11 H 1 0.078 0.02 . 2 . . . . . . . . 6259 1 989 . 1 1 103 103 LEU HD12 H 1 0.078 0.02 . 2 . . . . . . . . 6259 1 990 . 1 1 103 103 LEU HD13 H 1 0.078 0.02 . 2 . . . . . . . . 6259 1 991 . 1 1 103 103 LEU CD2 C 13 21.83 0.1 . 1 . . . . . . . . 6259 1 992 . 1 1 103 103 LEU HD21 H 1 0.838 0.02 . 2 . . . . . . . . 6259 1 993 . 1 1 103 103 LEU HD22 H 1 0.838 0.02 . 2 . . . . . . . . 6259 1 994 . 1 1 103 103 LEU HD23 H 1 0.838 0.02 . 2 . . . . . . . . 6259 1 995 . 1 1 103 103 LEU HG H 1 1.139 0.02 . 1 . . . . . . . . 6259 1 996 . 1 1 104 104 GLN H H 1 8.662 0.02 . 1 . . . . . . . . 6259 1 997 . 1 1 104 104 GLN N N 15 116.2 0.1 . 1 . . . . . . . . 6259 1 998 . 1 1 104 104 GLN CA C 13 59.15 0.1 . 1 . . . . . . . . 6259 1 999 . 1 1 104 104 GLN HA H 1 3.678 0.02 . 1 . . . . . . . . 6259 1 1000 . 1 1 104 104 GLN C C 13 177.127 0.1 . 1 . . . . . . . . 6259 1 1001 . 1 1 104 104 GLN CB C 13 27.42 0.1 . 1 . . . . . . . . 6259 1 1002 . 1 1 104 104 GLN HB2 H 1 2.469 0.02 . 1 . . . . . . . . 6259 1 1003 . 1 1 104 104 GLN HB3 H 1 1.82 0.02 . 1 . . . . . . . . 6259 1 1004 . 1 1 104 104 GLN CG C 13 34.11 0.1 . 1 . . . . . . . . 6259 1 1005 . 1 1 104 104 GLN HG2 H 1 2.77 0.02 . 1 . . . . . . . . 6259 1 1006 . 1 1 104 104 GLN HG3 H 1 2.136 0.02 . 1 . . . . . . . . 6259 1 1007 . 1 1 105 105 ASN H H 1 7.974 0.02 . 1 . . . . . . . . 6259 1 1008 . 1 1 105 105 ASN N N 15 113.5 0.1 . 1 . . . . . . . . 6259 1 1009 . 1 1 105 105 ASN CA C 13 55.75 0.1 . 1 . . . . . . . . 6259 1 1010 . 1 1 105 105 ASN HA H 1 4.343 0.02 . 1 . . . . . . . . 6259 1 1011 . 1 1 105 105 ASN C C 13 177.237 0.1 . 1 . . . . . . . . 6259 1 1012 . 1 1 105 105 ASN CB C 13 37.67 0.1 . 1 . . . . . . . . 6259 1 1013 . 1 1 105 105 ASN HB2 H 1 2.785 0.02 . 1 . . . . . . . . 6259 1 1014 . 1 1 105 105 ASN HB3 H 1 2.759 0.02 . 1 . . . . . . . . 6259 1 1015 . 1 1 106 106 LYS H H 1 7.995 0.02 . 1 . . . . . . . . 6259 1 1016 . 1 1 106 106 LYS N N 15 121.2 0.1 . 1 . . . . . . . . 6259 1 1017 . 1 1 106 106 LYS CA C 13 58.94 0.1 . 1 . . . . . . . . 6259 1 1018 . 1 1 106 106 LYS HA H 1 4.042 0.02 . 1 . . . . . . . . 6259 1 1019 . 1 1 106 106 LYS C C 13 177.953 0.1 . 1 . . . . . . . . 6259 1 1020 . 1 1 106 106 LYS CB C 13 31.75 0.1 . 1 . . . . . . . . 6259 1 1021 . 1 1 106 106 LYS HB2 H 1 1.999 0.02 . 2 . . . . . . . . 6259 1 1022 . 1 1 106 106 LYS CG C 13 24.07 0.1 . 1 . . . . . . . . 6259 1 1023 . 1 1 106 106 LYS HG2 H 1 1.476 0.02 . 1 . . . . . . . . 6259 1 1024 . 1 1 106 106 LYS HG3 H 1 1.387 0.02 . 1 . . . . . . . . 6259 1 1025 . 1 1 106 106 LYS CD C 13 28.65 0.1 . 1 . . . . . . . . 6259 1 1026 . 1 1 106 106 LYS HD2 H 1 1.693 0.02 . 2 . . . . . . . . 6259 1 1027 . 1 1 106 106 LYS CE C 13 41.35 0.1 . 1 . . . . . . . . 6259 1 1028 . 1 1 106 106 LYS HE2 H 1 2.912 0.02 . 2 . . . . . . . . 6259 1 1029 . 1 1 107 107 ILE H H 1 8.332 0.02 . 1 . . . . . . . . 6259 1 1030 . 1 1 107 107 ILE N N 15 116.5 0.1 . 1 . . . . . . . . 6259 1 1031 . 1 1 107 107 ILE CA C 13 65.82 0.1 . 1 . . . . . . . . 6259 1 1032 . 1 1 107 107 ILE HA H 1 3.387 0.02 . 1 . . . . . . . . 6259 1 1033 . 1 1 107 107 ILE C C 13 176.686 0.1 . 1 . . . . . . . . 6259 1 1034 . 1 1 107 107 ILE CB C 13 37.18 0.1 . 1 . . . . . . . . 6259 1 1035 . 1 1 107 107 ILE HB H 1 1.846 0.02 . 1 . . . . . . . . 6259 1 1036 . 1 1 107 107 ILE CG2 C 13 16.22 0.1 . 1 . . . . . . . . 6259 1 1037 . 1 1 107 107 ILE HG21 H 1 0.653 0.02 . 1 . . . . . . . . 6259 1 1038 . 1 1 107 107 ILE HG22 H 1 0.653 0.02 . 1 . . . . . . . . 6259 1 1039 . 1 1 107 107 ILE HG23 H 1 0.653 0.02 . 1 . . . . . . . . 6259 1 1040 . 1 1 107 107 ILE CG1 C 13 29.14 0.1 . 1 . . . . . . . . 6259 1 1041 . 1 1 107 107 ILE HG12 H 1 1.893 0.02 . 1 . . . . . . . . 6259 1 1042 . 1 1 107 107 ILE CD1 C 13 13.32 0.1 . 1 . . . . . . . . 6259 1 1043 . 1 1 107 107 ILE HD11 H 1 0.843 0.02 . 1 . . . . . . . . 6259 1 1044 . 1 1 107 107 ILE HD12 H 1 0.843 0.02 . 1 . . . . . . . . 6259 1 1045 . 1 1 107 107 ILE HD13 H 1 0.843 0.02 . 1 . . . . . . . . 6259 1 1046 . 1 1 108 108 LEU H H 1 8.186 0.02 . 1 . . . . . . . . 6259 1 1047 . 1 1 108 108 LEU N N 15 116.7 0.1 . 1 . . . . . . . . 6259 1 1048 . 1 1 108 108 LEU CA C 13 57.88 0.1 . 1 . . . . . . . . 6259 1 1049 . 1 1 108 108 LEU HA H 1 3.693 0.02 . 1 . . . . . . . . 6259 1 1050 . 1 1 108 108 LEU C C 13 178.119 0.1 . 1 . . . . . . . . 6259 1 1051 . 1 1 108 108 LEU CB C 13 40.59 0.1 . 1 . . . . . . . . 6259 1 1052 . 1 1 108 108 LEU HB2 H 1 1.73 0.02 . 1 . . . . . . . . 6259 1 1053 . 1 1 108 108 LEU HB3 H 1 1.297 0.02 . 1 . . . . . . . . 6259 1 1054 . 1 1 108 108 LEU CG C 13 25.67 0.1 . 1 . . . . . . . . 6259 1 1055 . 1 1 108 108 LEU CD1 C 13 23.86 0.1 . 1 . . . . . . . . 6259 1 1056 . 1 1 108 108 LEU HD11 H 1 0.315 0.02 . 2 . . . . . . . . 6259 1 1057 . 1 1 108 108 LEU HD12 H 1 0.315 0.02 . 2 . . . . . . . . 6259 1 1058 . 1 1 108 108 LEU HD13 H 1 0.315 0.02 . 2 . . . . . . . . 6259 1 1059 . 1 1 108 108 LEU CD2 C 13 21.66 0.1 . 1 . . . . . . . . 6259 1 1060 . 1 1 108 108 LEU HD21 H 1 0.273 0.02 . 2 . . . . . . . . 6259 1 1061 . 1 1 108 108 LEU HD22 H 1 0.273 0.02 . 2 . . . . . . . . 6259 1 1062 . 1 1 108 108 LEU HD23 H 1 0.273 0.02 . 2 . . . . . . . . 6259 1 1063 . 1 1 108 108 LEU HG H 1 1.529 0.02 . 1 . . . . . . . . 6259 1 1064 . 1 1 109 109 THR H H 1 7.948 0.02 . 1 . . . . . . . . 6259 1 1065 . 1 1 109 109 THR N N 15 112.7 0.1 . 1 . . . . . . . . 6259 1 1066 . 1 1 109 109 THR CA C 13 66.01 0.1 . 1 . . . . . . . . 6259 1 1067 . 1 1 109 109 THR HA H 1 3.899 0.02 . 1 . . . . . . . . 6259 1 1068 . 1 1 109 109 THR C C 13 176.658 0.1 . 1 . . . . . . . . 6259 1 1069 . 1 1 109 109 THR CB C 13 68.25 0.1 . 1 . . . . . . . . 6259 1 1070 . 1 1 109 109 THR HB H 1 4.285 0.02 . 1 . . . . . . . . 6259 1 1071 . 1 1 109 109 THR CG2 C 13 20.84 0.1 . 1 . . . . . . . . 6259 1 1072 . 1 1 109 109 THR HG21 H 1 1.218 0.02 . 1 . . . . . . . . 6259 1 1073 . 1 1 109 109 THR HG22 H 1 1.218 0.02 . 1 . . . . . . . . 6259 1 1074 . 1 1 109 109 THR HG23 H 1 1.218 0.02 . 1 . . . . . . . . 6259 1 1075 . 1 1 110 110 ILE H H 1 7.839 0.02 . 1 . . . . . . . . 6259 1 1076 . 1 1 110 110 ILE N N 15 120.6 0.1 . 1 . . . . . . . . 6259 1 1077 . 1 1 110 110 ILE CA C 13 64.34 0.1 . 1 . . . . . . . . 6259 1 1078 . 1 1 110 110 ILE HA H 1 3.72 0.02 . 1 . . . . . . . . 6259 1 1079 . 1 1 110 110 ILE C C 13 178.036 0.1 . 1 . . . . . . . . 6259 1 1080 . 1 1 110 110 ILE CB C 13 37.95 0.1 . 1 . . . . . . . . 6259 1 1081 . 1 1 110 110 ILE HB H 1 1.846 0.02 . 1 . . . . . . . . 6259 1 1082 . 1 1 110 110 ILE CG2 C 13 17.33 0.1 . 1 . . . . . . . . 6259 1 1083 . 1 1 110 110 ILE HG21 H 1 0.954 0.02 . 1 . . . . . . . . 6259 1 1084 . 1 1 110 110 ILE HG22 H 1 0.954 0.02 . 1 . . . . . . . . 6259 1 1085 . 1 1 110 110 ILE HG23 H 1 0.954 0.02 . 1 . . . . . . . . 6259 1 1086 . 1 1 110 110 ILE CG1 C 13 28.69 0.1 . 1 . . . . . . . . 6259 1 1087 . 1 1 110 110 ILE HG12 H 1 1.798 0.02 . 1 . . . . . . . . 6259 1 1088 . 1 1 110 110 ILE HG13 H 1 1.086 0.02 . 1 . . . . . . . . 6259 1 1089 . 1 1 110 110 ILE CD1 C 13 13.87 0.1 . 1 . . . . . . . . 6259 1 1090 . 1 1 110 110 ILE HD11 H 1 0.727 0.02 . 1 . . . . . . . . 6259 1 1091 . 1 1 110 110 ILE HD12 H 1 0.727 0.02 . 1 . . . . . . . . 6259 1 1092 . 1 1 110 110 ILE HD13 H 1 0.727 0.02 . 1 . . . . . . . . 6259 1 1093 . 1 1 111 111 LEU H H 1 8.193 0.02 . 1 . . . . . . . . 6259 1 1094 . 1 1 111 111 LEU N N 15 114.5 0.1 . 1 . . . . . . . . 6259 1 1095 . 1 1 111 111 LEU CA C 13 55.9 0.1 . 1 . . . . . . . . 6259 1 1096 . 1 1 111 111 LEU HA H 1 4.052 0.02 . 1 . . . . . . . . 6259 1 1097 . 1 1 111 111 LEU C C 13 177.099 0.1 . 1 . . . . . . . . 6259 1 1098 . 1 1 111 111 LEU CB C 13 41.85 0.1 . 1 . . . . . . . . 6259 1 1099 . 1 1 111 111 LEU HB2 H 1 1.756 0.02 . 1 . . . . . . . . 6259 1 1100 . 1 1 111 111 LEU HB3 H 1 1.265 0.02 . 1 . . . . . . . . 6259 1 1101 . 1 1 111 111 LEU CG C 13 25.23 0.1 . 1 . . . . . . . . 6259 1 1102 . 1 1 111 111 LEU CD1 C 13 27.02 0.1 . 1 . . . . . . . . 6259 1 1103 . 1 1 111 111 LEU HD11 H 1 0.611 0.02 . 1 . . . . . . . . 6259 1 1104 . 1 1 111 111 LEU HD12 H 1 0.611 0.02 . 1 . . . . . . . . 6259 1 1105 . 1 1 111 111 LEU HD13 H 1 0.611 0.02 . 1 . . . . . . . . 6259 1 1106 . 1 1 111 111 LEU CD2 C 13 20.75 0.1 . 1 . . . . . . . . 6259 1 1107 . 1 1 111 111 LEU HD21 H 1 0.611 0.02 . 1 . . . . . . . . 6259 1 1108 . 1 1 111 111 LEU HD22 H 1 0.611 0.02 . 1 . . . . . . . . 6259 1 1109 . 1 1 111 111 LEU HD23 H 1 0.611 0.02 . 1 . . . . . . . . 6259 1 1110 . 1 1 111 111 LEU HG H 1 1.962 0.02 . 1 . . . . . . . . 6259 1 1111 . 1 1 112 112 GLN H H 1 8.038 0.02 . 1 . . . . . . . . 6259 1 1112 . 1 1 112 112 GLN N N 15 115.1 0.1 . 1 . . . . . . . . 6259 1 1113 . 1 1 112 112 GLN CA C 13 56.27 0.1 . 1 . . . . . . . . 6259 1 1114 . 1 1 112 112 GLN HA H 1 4.285 0.02 . 1 . . . . . . . . 6259 1 1115 . 1 1 112 112 GLN C C 13 175.171 0.1 . 1 . . . . . . . . 6259 1 1116 . 1 1 112 112 GLN CB C 13 28.52 0.1 . 1 . . . . . . . . 6259 1 1117 . 1 1 112 112 GLN HB2 H 1 2.089 0.02 . 2 . . . . . . . . 6259 1 1118 . 1 1 112 112 GLN CG C 13 34.06 0.1 . 1 . . . . . . . . 6259 1 1119 . 1 1 112 112 GLN HG2 H 1 2.427 0.02 . 1 . . . . . . . . 6259 1 1120 . 1 1 112 112 GLN HG3 H 1 2.273 0.02 . 1 . . . . . . . . 6259 1 1121 . 1 1 113 113 GLY H H 1 7.525 0.02 . 1 . . . . . . . . 6259 1 1122 . 1 1 113 113 GLY N N 15 112.2 0.1 . 1 . . . . . . . . 6259 1 1123 . 1 1 113 113 GLY CA C 13 45.82 0.1 . 1 . . . . . . . . 6259 1 1124 . 1 1 113 113 GLY HA2 H 1 3.81 0.02 . 1 . . . . . . . . 6259 1 1125 . 1 1 113 113 GLY HA3 H 1 3.709 0.02 . 1 . . . . . . . . 6259 1 stop_ save_