data_6779 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6779 _Entry.Title ; Solution Structure of the type 1 pilus assembly platform FimD(25-125) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-17 _Entry.Accession_date 2005-08-17 _Entry.Last_release_date 2005-10-18 _Entry.Original_release_date 2005-10-18 _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 M. Nishiyama . . . 6779 2 R. Horst . . . 6779 3 R. Herrmann . . . 6779 4 M. Vetsch . . . 6779 5 P. Bettendorff . . . 6779 6 O. Ignatov . . . 6779 7 M. Grutter . . . 6779 8 K. Wuthrich . . . 6779 9 R. Glockshuber . . . 6779 10 G. Capitani . . . 6779 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6779 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 657 6779 '13C chemical shifts' 310 6779 '15N chemical shifts' 107 6779 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2005-10-18 2005-08-17 original author . 6779 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 6629 FimD(25-139) 6779 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6779 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 15920478 _Citation.Full_citation . _Citation.Title ; Structural basis of chaperone-subunit complex recognition by type 1 pilus assembly platform FimD ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'EMBO J.' _Citation.Journal_name_full . _Citation.Journal_volume 24 _Citation.Journal_issue 12 _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 2075 _Citation.Page_last 2086 _Citation.Year 2005 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 M. Nishiyama . . . 6779 1 2 R. Horst . . . 6779 1 3 R. Herrmann . . . 6779 1 4 M. Vetsch . . . 6779 1 5 P. Bettendorff . . . 6779 1 6 O. Ignatov . . . 6779 1 7 M. Grutter . . . 6779 1 8 K. Wuthrich . . . 6779 1 9 R. Glockshuber . . . 6779 1 10 G. Capitani . . . 6779 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'BETA SHEET' 6779 1 'ALPHA HELIX' 6779 1 FimD 6779 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_FimD _Assembly.Sf_category assembly _Assembly.Sf_framecode system_FimD _Assembly.Entry_ID 6779 _Assembly.ID 1 _Assembly.Name 'Outer membrane usher protein fimD' _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 . _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 6779 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 'Outer membrane usher protein FimD' 1 $FimD . . . native . . . . . 6779 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Outer membrane usher protein fimD' system 6779 1 FimD abbreviation 6779 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FimD _Entity.Sf_category entity _Entity.Sf_framecode FimD _Entity.Entry_ID 6779 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FimD _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 ; GQELPPGTYRVDIYLNNGYM ATRDVTFNTGDSEQGIVPCL TRAQLASMGLNTASVAGMNL LADDACVPLTTMVQDATAHL DVGQQRLNLTIPQAFMSNRA R ; _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 101 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _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 BMRB 6629 . FimD . . . . . 100.00 115 100.00 100.00 5.00e-66 . . . . 6779 1 2 no PDB 1ZDV . "Solution Structure Of The Type 1 Pilus Assembly Platform Fimd(25-139)" . . . . . 100.00 115 100.00 100.00 5.00e-66 . . . . 6779 1 3 no PDB 1ZDX . "Solution Structure Of The Type 1 Pilus Assembly Platform Fimd(25-125)" . . . . . 100.00 101 100.00 100.00 1.20e-66 . . . . 6779 1 4 no PDB 1ZE3 . "Crystal Structure Of The Ternary Complex Of Fimd (N- Terminal Domain) With Fimc And The Pilin Domain Of Fimh" . . . . . 100.00 125 100.00 100.00 3.75e-66 . . . . 6779 1 5 no PDB 3BWU . "Crystal Structure Of The Ternary Complex Of Fimd (n-terminal Domain, Fimdn) With Fimc And The N-terminally Truncated Pilus Subu" . . . . . 100.00 125 100.00 100.00 3.75e-66 . . . . 6779 1 6 no PDB 3RFZ . "Crystal Structure Of The Fimd Usher Bound To Its Cognate Fimc:fimh Substrate" . . . . . 100.00 843 100.00 100.00 2.06e-61 . . . . 6779 1 7 no PDB 4J3O . "Crystal Structure Of The Fimd Usher Traversed By The Pilus Tip Complex Assembly Composed Of Fimc:fimf:fimg:fimh" . . . . . 100.00 843 100.00 100.00 2.06e-61 . . . . 6779 1 8 no DBJ BAB38699 . "export and assembly outer membrane protein of type 1 fimbriae [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 878 100.00 100.00 2.96e-61 . . . . 6779 1 9 no DBJ BAE78310 . "outer membrane usher protein, type 1 fimbrial synthesis [Escherichia coli str. K-12 substr. W3110]" . . . . . 100.00 878 100.00 100.00 2.90e-61 . . . . 6779 1 10 no DBJ BAI28636 . "outer membrane usher protein FimD [Escherichia coli O26:H11 str. 11368]" . . . . . 100.00 878 100.00 100.00 3.29e-61 . . . . 6779 1 11 no DBJ BAI33777 . "outer membrane usher protein FimD [Escherichia coli O103:H2 str. 12009]" . . . . . 100.00 878 98.02 100.00 1.02e-60 . . . . 6779 1 12 no DBJ BAJ46031 . "outer membrane protein; export and assembly of type 1 fimbriae [Escherichia coli DH1]" . . . . . 100.00 878 100.00 100.00 2.90e-61 . . . . 6779 1 13 no EMBL CAQ34665 . "outer membrane protein; export and assembly of type 1 fimbriae [Escherichia coli BL21(DE3)]" . . . . . 100.00 878 100.00 100.00 3.39e-61 . . . . 6779 1 14 no EMBL CAR16035 . "outer membrane usher protein, type 1 fimbrial synthesis [Escherichia coli UMN026]" . . . . . 100.00 878 100.00 100.00 3.39e-61 . . . . 6779 1 15 no EMBL CCP96085 . "type 1 fimbriae anchoring protein FimD [Escherichia coli O10:K5(L):H4 str. ATCC 23506]" . . . . . 100.00 856 100.00 100.00 3.10e-61 . . . . 6779 1 16 no EMBL CCQ07908 . "type 1 fimbriae anchoring protein FimD [Escherichia coli Nissle 1917]" . . . . . 100.00 856 99.01 99.01 1.67e-60 . . . . 6779 1 17 no EMBL CCW23202 . "outer membrane usher protein FimD precursor [Escherichia coli O25b:H4-ST131 str. EC958]" . . . . . 100.00 878 99.01 99.01 2.08e-60 . . . . 6779 1 18 no GB AAA97213 . "CG Site No. 18349 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 878 100.00 100.00 2.90e-61 . . . . 6779 1 19 no GB AAC77273 . "fimbrial usher outer membrane porin protein; FimCD chaperone-usher [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 878 100.00 100.00 2.90e-61 . . . . 6779 1 20 no GB AAG59499 . "outer membrane protein; export and assembly of type 1 fimbriae, interrupted [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 878 100.00 100.00 3.20e-61 . . . . 6779 1 21 no GB AAY89700 . "FimD [Escherichia coli LW1655F+]" . . . . . 100.00 148 100.00 100.00 3.58e-66 . . . . 6779 1 22 no GB ABF06193 . "Outer membrane usher protein fimD precursor [Shigella flexneri 5 str. 8401]" . . . . . 100.00 878 99.01 99.01 7.35e-60 . . . . 6779 1 23 no REF NP_290933 . "outer membrane protein; export and assembly of type 1 fimbriae, interrupted [Escherichia coli O157:H7 str. EDL933]" . . . . . 100.00 878 100.00 100.00 3.20e-61 . . . . 6779 1 24 no REF NP_313303 . "protein FimD [Escherichia coli O157:H7 str. Sakai]" . . . . . 100.00 878 100.00 100.00 2.96e-61 . . . . 6779 1 25 no REF NP_418737 . "fimbrial usher outer membrane porin protein; FimCD chaperone-usher [Escherichia coli str. K-12 substr. MG1655]" . . . . . 100.00 878 100.00 100.00 2.90e-61 . . . . 6779 1 26 no REF WP_000120908 . "fimbrial protein FimD [Escherichia coli]" . . . . . 100.00 878 99.01 99.01 1.67e-60 . . . . 6779 1 27 no REF WP_000120909 . "fimbrial protein FimD [Escherichia coli]" . . . . . 100.00 878 99.01 99.01 1.92e-60 . . . . 6779 1 28 no SP P30130 . "RecName: Full=Outer membrane usher protein FimD; Flags: Precursor [Escherichia coli K-12]" . . . . . 100.00 878 100.00 100.00 2.90e-61 . . . . 6779 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID FimD common 6779 1 FimD abbreviation 6779 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 25 GLY . 6779 1 2 26 GLN . 6779 1 3 27 GLU . 6779 1 4 28 LEU . 6779 1 5 29 PRO . 6779 1 6 30 PRO . 6779 1 7 31 GLY . 6779 1 8 32 THR . 6779 1 9 33 TYR . 6779 1 10 34 ARG . 6779 1 11 35 VAL . 6779 1 12 36 ASP . 6779 1 13 37 ILE . 6779 1 14 38 TYR . 6779 1 15 39 LEU . 6779 1 16 40 ASN . 6779 1 17 41 ASN . 6779 1 18 42 GLY . 6779 1 19 43 TYR . 6779 1 20 44 MET . 6779 1 21 45 ALA . 6779 1 22 46 THR . 6779 1 23 47 ARG . 6779 1 24 48 ASP . 6779 1 25 49 VAL . 6779 1 26 50 THR . 6779 1 27 51 PHE . 6779 1 28 52 ASN . 6779 1 29 53 THR . 6779 1 30 54 GLY . 6779 1 31 55 ASP . 6779 1 32 56 SER . 6779 1 33 57 GLU . 6779 1 34 58 GLN . 6779 1 35 59 GLY . 6779 1 36 60 ILE . 6779 1 37 61 VAL . 6779 1 38 62 PRO . 6779 1 39 63 CYS . 6779 1 40 64 LEU . 6779 1 41 65 THR . 6779 1 42 66 ARG . 6779 1 43 67 ALA . 6779 1 44 68 GLN . 6779 1 45 69 LEU . 6779 1 46 70 ALA . 6779 1 47 71 SER . 6779 1 48 72 MET . 6779 1 49 73 GLY . 6779 1 50 74 LEU . 6779 1 51 75 ASN . 6779 1 52 76 THR . 6779 1 53 77 ALA . 6779 1 54 78 SER . 6779 1 55 79 VAL . 6779 1 56 80 ALA . 6779 1 57 81 GLY . 6779 1 58 82 MET . 6779 1 59 83 ASN . 6779 1 60 84 LEU . 6779 1 61 85 LEU . 6779 1 62 86 ALA . 6779 1 63 87 ASP . 6779 1 64 88 ASP . 6779 1 65 89 ALA . 6779 1 66 90 CYS . 6779 1 67 91 VAL . 6779 1 68 92 PRO . 6779 1 69 93 LEU . 6779 1 70 94 THR . 6779 1 71 95 THR . 6779 1 72 96 MET . 6779 1 73 97 VAL . 6779 1 74 98 GLN . 6779 1 75 99 ASP . 6779 1 76 100 ALA . 6779 1 77 101 THR . 6779 1 78 102 ALA . 6779 1 79 103 HIS . 6779 1 80 104 LEU . 6779 1 81 105 ASP . 6779 1 82 106 VAL . 6779 1 83 107 GLY . 6779 1 84 108 GLN . 6779 1 85 109 GLN . 6779 1 86 110 ARG . 6779 1 87 111 LEU . 6779 1 88 112 ASN . 6779 1 89 113 LEU . 6779 1 90 114 THR . 6779 1 91 115 ILE . 6779 1 92 116 PRO . 6779 1 93 117 GLN . 6779 1 94 118 ALA . 6779 1 95 119 PHE . 6779 1 96 120 MET . 6779 1 97 121 SER . 6779 1 98 122 ASN . 6779 1 99 123 ARG . 6779 1 100 124 ALA . 6779 1 101 125 ARG . 6779 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 6779 1 . GLN 2 2 6779 1 . GLU 3 3 6779 1 . LEU 4 4 6779 1 . PRO 5 5 6779 1 . PRO 6 6 6779 1 . GLY 7 7 6779 1 . THR 8 8 6779 1 . TYR 9 9 6779 1 . ARG 10 10 6779 1 . VAL 11 11 6779 1 . ASP 12 12 6779 1 . ILE 13 13 6779 1 . TYR 14 14 6779 1 . LEU 15 15 6779 1 . ASN 16 16 6779 1 . ASN 17 17 6779 1 . GLY 18 18 6779 1 . TYR 19 19 6779 1 . MET 20 20 6779 1 . ALA 21 21 6779 1 . THR 22 22 6779 1 . ARG 23 23 6779 1 . ASP 24 24 6779 1 . VAL 25 25 6779 1 . THR 26 26 6779 1 . PHE 27 27 6779 1 . ASN 28 28 6779 1 . THR 29 29 6779 1 . GLY 30 30 6779 1 . ASP 31 31 6779 1 . SER 32 32 6779 1 . GLU 33 33 6779 1 . GLN 34 34 6779 1 . GLY 35 35 6779 1 . ILE 36 36 6779 1 . VAL 37 37 6779 1 . PRO 38 38 6779 1 . CYS 39 39 6779 1 . LEU 40 40 6779 1 . THR 41 41 6779 1 . ARG 42 42 6779 1 . ALA 43 43 6779 1 . GLN 44 44 6779 1 . LEU 45 45 6779 1 . ALA 46 46 6779 1 . SER 47 47 6779 1 . MET 48 48 6779 1 . GLY 49 49 6779 1 . LEU 50 50 6779 1 . ASN 51 51 6779 1 . THR 52 52 6779 1 . ALA 53 53 6779 1 . SER 54 54 6779 1 . VAL 55 55 6779 1 . ALA 56 56 6779 1 . GLY 57 57 6779 1 . MET 58 58 6779 1 . ASN 59 59 6779 1 . LEU 60 60 6779 1 . LEU 61 61 6779 1 . ALA 62 62 6779 1 . ASP 63 63 6779 1 . ASP 64 64 6779 1 . ALA 65 65 6779 1 . CYS 66 66 6779 1 . VAL 67 67 6779 1 . PRO 68 68 6779 1 . LEU 69 69 6779 1 . THR 70 70 6779 1 . THR 71 71 6779 1 . MET 72 72 6779 1 . VAL 73 73 6779 1 . GLN 74 74 6779 1 . ASP 75 75 6779 1 . ALA 76 76 6779 1 . THR 77 77 6779 1 . ALA 78 78 6779 1 . HIS 79 79 6779 1 . LEU 80 80 6779 1 . ASP 81 81 6779 1 . VAL 82 82 6779 1 . GLY 83 83 6779 1 . GLN 84 84 6779 1 . GLN 85 85 6779 1 . ARG 86 86 6779 1 . LEU 87 87 6779 1 . ASN 88 88 6779 1 . LEU 89 89 6779 1 . THR 90 90 6779 1 . ILE 91 91 6779 1 . PRO 92 92 6779 1 . GLN 93 93 6779 1 . ALA 94 94 6779 1 . PHE 95 95 6779 1 . MET 96 96 6779 1 . SER 97 97 6779 1 . ASN 98 98 6779 1 . ARG 99 99 6779 1 . ALA 100 100 6779 1 . ARG 101 101 6779 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 6779 _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 $FimD . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6779 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 6779 _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 $FimD . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6779 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6779 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 FimD '[U-13C; U-15N]' . . 1 $FimD . . 2 . . mM . . . . 6779 1 2 H2O . . . . . . . 90 . . % . . . . 6779 1 3 D2O . . . . . . . 10 . . % . . . . 6779 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 6779 _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 7.0 0.1 pH 6779 1 temperature 293 0.5 K 6779 1 pressure 1 . atm 6779 1 stop_ save_ ############################ # Computer software used # ############################ save_XWINNMR _Software.Sf_category software _Software.Sf_framecode XWINNMR _Software.Entry_ID 6779 _Software.ID 1 _Software.Name XWINNMR _Software.Version 3.5 _Software.Details Bruker loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 6779 1 stop_ save_ save_ATHNOS-CANDID _Software.Sf_category software _Software.Sf_framecode ATHNOS-CANDID _Software.Entry_ID 6779 _Software.ID 2 _Software.Name ATHNOS-CANDID _Software.Version . _Software.Details Herrmann loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 6779 2 refinement 6779 2 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer _NMR_spectrometer.Entry_ID 6779 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AVANCE _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 900 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6779 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 NMR_spectrometer Bruker AVANCE . 900 . . . 6779 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 6779 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6779 1 2 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6779 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 6779 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 6779 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 6779 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.000000000 . . . . . . . . . 6779 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6779 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6779 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chemical_shift_set_1 _Assigned_chem_shift_list.Entry_ID 6779 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '3D 15N-separated NOESY' 1 $sample_1 . 6779 1 2 '3D 13C-separated NOESY' 1 $sample_1 . 6779 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 GLN CA C 13 54.745 . . . . . . . . . . . 6779 1 2 . 1 1 2 2 GLN HA H 1 4.284 . . . . . . . . . . . 6779 1 3 . 1 1 2 2 GLN CB C 13 28.828 . . . . . . . . . . . 6779 1 4 . 1 1 2 2 GLN HB2 H 1 1.870 . . . . . . . . . . . 6779 1 5 . 1 1 2 2 GLN HB3 H 1 2.000 . . . . . . . . . . . 6779 1 6 . 1 1 2 2 GLN CG C 13 33.193 . . . . . . . . . . . 6779 1 7 . 1 1 2 2 GLN HG2 H 1 2.225 . . . . . . . . . . . 6779 1 8 . 1 1 2 2 GLN NE2 N 15 112.451 . . . . . . . . . . . 6779 1 9 . 1 1 2 2 GLN HE21 H 1 6.831 . . . . . . . . . . . 6779 1 10 . 1 1 2 2 GLN HE22 H 1 7.544 . . . . . . . . . . . 6779 1 11 . 1 1 3 3 GLU H H 1 8.555 . . . . . . . . . . . 6779 1 12 . 1 1 3 3 GLU N N 15 122.605 . . . . . . . . . . . 6779 1 13 . 1 1 3 3 GLU CA C 13 55.998 . . . . . . . . . . . 6779 1 14 . 1 1 3 3 GLU HA H 1 4.083 . . . . . . . . . . . 6779 1 15 . 1 1 3 3 GLU CB C 13 29.101 . . . . . . . . . . . 6779 1 16 . 1 1 3 3 GLU HB2 H 1 1.870 . . . . . . . . . . . 6779 1 17 . 1 1 3 3 GLU HB3 H 1 1.801 . . . . . . . . . . . 6779 1 18 . 1 1 3 3 GLU CG C 13 35.460 . . . . . . . . . . . 6779 1 19 . 1 1 3 3 GLU HG2 H 1 2.082 . . . . . . . . . . . 6779 1 20 . 1 1 3 3 GLU HG3 H 1 2.154 . . . . . . . . . . . 6779 1 21 . 1 1 4 4 LEU H H 1 8.115 . . . . . . . . . . . 6779 1 22 . 1 1 4 4 LEU N N 15 124.085 . . . . . . . . . . . 6779 1 23 . 1 1 4 4 LEU CA C 13 51.254 . . . . . . . . . . . 6779 1 24 . 1 1 4 4 LEU HA H 1 4.580 . . . . . . . . . . . 6779 1 25 . 1 1 4 4 LEU CB C 13 42.668 . . . . . . . . . . . 6779 1 26 . 1 1 4 4 LEU HB2 H 1 1.197 . . . . . . . . . . . 6779 1 27 . 1 1 4 4 LEU HB3 H 1 1.459 . . . . . . . . . . . 6779 1 28 . 1 1 4 4 LEU CG C 13 26.237 . . . . . . . . . . . 6779 1 29 . 1 1 4 4 LEU CD1 C 13 25.325 . . . . . . . . . . . 6779 1 30 . 1 1 4 4 LEU HD11 H 1 0.463 . . . . . . . . . . . 6779 1 31 . 1 1 4 4 LEU HD12 H 1 0.463 . . . . . . . . . . . 6779 1 32 . 1 1 4 4 LEU HD13 H 1 0.463 . . . . . . . . . . . 6779 1 33 . 1 1 4 4 LEU CD2 C 13 22.497 . . . . . . . . . . . 6779 1 34 . 1 1 4 4 LEU HD21 H 1 0.645 . . . . . . . . . . . 6779 1 35 . 1 1 4 4 LEU HD22 H 1 0.645 . . . . . . . . . . . 6779 1 36 . 1 1 4 4 LEU HD23 H 1 0.645 . . . . . . . . . . . 6779 1 37 . 1 1 4 4 LEU HG H 1 3.062 . . . . . . . . . . . 6779 1 38 . 1 1 5 5 PRO CG C 13 25.977 . . . . . . . . . . . 6779 1 39 . 1 1 5 5 PRO HG2 H 1 1.466 . . . . . . . . . . . 6779 1 40 . 1 1 5 5 PRO HG3 H 1 1.902 . . . . . . . . . . . 6779 1 41 . 1 1 5 5 PRO CD C 13 49.377 . . . . . . . . . . . 6779 1 42 . 1 1 5 5 PRO HD2 H 1 3.464 . . . . . . . . . . . 6779 1 43 . 1 1 5 5 PRO HD3 H 1 3.631 . . . . . . . . . . . 6779 1 44 . 1 1 6 6 PRO CA C 13 62.333 . . . . . . . . . . . 6779 1 45 . 1 1 6 6 PRO HA H 1 4.163 . . . . . . . . . . . 6779 1 46 . 1 1 6 6 PRO CB C 13 31.697 . . . . . . . . . . . 6779 1 47 . 1 1 6 6 PRO HB2 H 1 2.116 . . . . . . . . . . . 6779 1 48 . 1 1 6 6 PRO HB3 H 1 2.165 . . . . . . . . . . . 6779 1 49 . 1 1 6 6 PRO CG C 13 26.587 . . . . . . . . . . . 6779 1 50 . 1 1 6 6 PRO HG2 H 1 1.899 . . . . . . . . . . . 6779 1 51 . 1 1 6 6 PRO HG3 H 1 1.966 . . . . . . . . . . . 6779 1 52 . 1 1 6 6 PRO CD C 13 49.397 . . . . . . . . . . . 6779 1 53 . 1 1 6 6 PRO HD2 H 1 3.581 . . . . . . . . . . . 6779 1 54 . 1 1 6 6 PRO HD3 H 1 3.465 . . . . . . . . . . . 6779 1 55 . 1 1 7 7 GLY H H 1 8.205 . . . . . . . . . . . 6779 1 56 . 1 1 7 7 GLY N N 15 107.291 . . . . . . . . . . . 6779 1 57 . 1 1 7 7 GLY CA C 13 43.988 . . . . . . . . . . . 6779 1 58 . 1 1 7 7 GLY HA2 H 1 4.067 . . . . . . . . . . . 6779 1 59 . 1 1 7 7 GLY HA3 H 1 3.820 . . . . . . . . . . . 6779 1 60 . 1 1 8 8 THR H H 1 8.425 . . . . . . . . . . . 6779 1 61 . 1 1 8 8 THR N N 15 118.325 . . . . . . . . . . . 6779 1 62 . 1 1 8 8 THR CA C 13 61.712 . . . . . . . . . . . 6779 1 63 . 1 1 8 8 THR HA H 1 4.913 . . . . . . . . . . . 6779 1 64 . 1 1 8 8 THR CB C 13 68.662 . . . . . . . . . . . 6779 1 65 . 1 1 8 8 THR HB H 1 3.678 . . . . . . . . . . . 6779 1 66 . 1 1 8 8 THR CG2 C 13 20.899 . . . . . . . . . . . 6779 1 67 . 1 1 8 8 THR HG21 H 1 0.863 . . . . . . . . . . . 6779 1 68 . 1 1 8 8 THR HG22 H 1 0.863 . . . . . . . . . . . 6779 1 69 . 1 1 8 8 THR HG23 H 1 0.863 . . . . . . . . . . . 6779 1 70 . 1 1 9 9 TYR H H 1 9.010 . . . . . . . . . . . 6779 1 71 . 1 1 9 9 TYR N N 15 126.933 . . . . . . . . . . . 6779 1 72 . 1 1 9 9 TYR CA C 13 55.669 . . . . . . . . . . . 6779 1 73 . 1 1 9 9 TYR HA H 1 4.575 . . . . . . . . . . . 6779 1 74 . 1 1 9 9 TYR CB C 13 40.512 . . . . . . . . . . . 6779 1 75 . 1 1 9 9 TYR HB2 H 1 2.514 . . . . . . . . . . . 6779 1 76 . 1 1 9 9 TYR HB3 H 1 2.661 . . . . . . . . . . . 6779 1 77 . 1 1 9 9 TYR CD1 C 13 133.295 . . . . . . . . . . . 6779 1 78 . 1 1 9 9 TYR HD1 H 1 6.821 . . . . . . . . . . . 6779 1 79 . 1 1 9 9 TYR CE1 C 13 130.550 . . . . . . . . . . . 6779 1 80 . 1 1 9 9 TYR HE1 H 1 7.051 . . . . . . . . . . . 6779 1 81 . 1 1 10 10 ARG H H 1 8.612 . . . . . . . . . . . 6779 1 82 . 1 1 10 10 ARG N N 15 126.383 . . . . . . . . . . . 6779 1 83 . 1 1 10 10 ARG CA C 13 55.624 . . . . . . . . . . . 6779 1 84 . 1 1 10 10 ARG HA H 1 4.574 . . . . . . . . . . . 6779 1 85 . 1 1 10 10 ARG CB C 13 27.867 . . . . . . . . . . . 6779 1 86 . 1 1 10 10 ARG HB2 H 1 1.664 . . . . . . . . . . . 6779 1 87 . 1 1 10 10 ARG CG C 13 26.558 . . . . . . . . . . . 6779 1 88 . 1 1 10 10 ARG HG2 H 1 1.265 . . . . . . . . . . . 6779 1 89 . 1 1 10 10 ARG HG3 H 1 1.122 . . . . . . . . . . . 6779 1 90 . 1 1 10 10 ARG CD C 13 42.085 . . . . . . . . . . . 6779 1 91 . 1 1 10 10 ARG HD2 H 1 2.923 . . . . . . . . . . . 6779 1 92 . 1 1 10 10 ARG HD3 H 1 3.017 . . . . . . . . . . . 6779 1 93 . 1 1 10 10 ARG NE N 15 84.957 . . . . . . . . . . . 6779 1 94 . 1 1 10 10 ARG HE H 1 7.526 . . . . . . . . . . . 6779 1 95 . 1 1 11 11 VAL H H 1 8.547 . . . . . . . . . . . 6779 1 96 . 1 1 11 11 VAL N N 15 119.626 . . . . . . . . . . . 6779 1 97 . 1 1 11 11 VAL CA C 13 57.268 . . . . . . . . . . . 6779 1 98 . 1 1 11 11 VAL HA H 1 4.828 . . . . . . . . . . . 6779 1 99 . 1 1 11 11 VAL CB C 13 35.104 . . . . . . . . . . . 6779 1 100 . 1 1 11 11 VAL HB H 1 1.823 . . . . . . . . . . . 6779 1 101 . 1 1 11 11 VAL CG1 C 13 22.452 . . . . . . . . . . . 6779 1 102 . 1 1 11 11 VAL HG11 H 1 0.522 . . . . . . . . . . . 6779 1 103 . 1 1 11 11 VAL HG12 H 1 0.522 . . . . . . . . . . . 6779 1 104 . 1 1 11 11 VAL HG13 H 1 0.522 . . . . . . . . . . . 6779 1 105 . 1 1 11 11 VAL CG2 C 13 17.747 . . . . . . . . . . . 6779 1 106 . 1 1 11 11 VAL HG21 H 1 0.874 . . . . . . . . . . . 6779 1 107 . 1 1 11 11 VAL HG22 H 1 0.874 . . . . . . . . . . . 6779 1 108 . 1 1 11 11 VAL HG23 H 1 0.874 . . . . . . . . . . . 6779 1 109 . 1 1 12 12 ASP H H 1 8.482 . . . . . . . . . . . 6779 1 110 . 1 1 12 12 ASP N N 15 120.046 . . . . . . . . . . . 6779 1 111 . 1 1 12 12 ASP CA C 13 53.158 . . . . . . . . . . . 6779 1 112 . 1 1 12 12 ASP HA H 1 5.189 . . . . . . . . . . . 6779 1 113 . 1 1 12 12 ASP CB C 13 41.742 . . . . . . . . . . . 6779 1 114 . 1 1 12 12 ASP HB2 H 1 2.987 . . . . . . . . . . . 6779 1 115 . 1 1 12 12 ASP HB3 H 1 2.676 . . . . . . . . . . . 6779 1 116 . 1 1 13 13 ILE H H 1 9.515 . . . . . . . . . . . 6779 1 117 . 1 1 13 13 ILE N N 15 125.056 . . . . . . . . . . . 6779 1 118 . 1 1 13 13 ILE CA C 13 61.125 . . . . . . . . . . . 6779 1 119 . 1 1 13 13 ILE HA H 1 4.690 . . . . . . . . . . . 6779 1 120 . 1 1 13 13 ILE CB C 13 38.299 . . . . . . . . . . . 6779 1 121 . 1 1 13 13 ILE HB H 1 1.481 . . . . . . . . . . . 6779 1 122 . 1 1 13 13 ILE CG2 C 13 16.752 . . . . . . . . . . . 6779 1 123 . 1 1 13 13 ILE CG1 C 13 27.495 . . . . . . . . . . . 6779 1 124 . 1 1 13 13 ILE HG12 H 1 1.734 . . . . . . . . . . . 6779 1 125 . 1 1 13 13 ILE HG13 H 1 0.666 . . . . . . . . . . . 6779 1 126 . 1 1 13 13 ILE CD1 C 13 12.975 . . . . . . . . . . . 6779 1 127 . 1 1 13 13 ILE HD11 H 1 0.525 . . . . . . . . . . . 6779 1 128 . 1 1 13 13 ILE HD12 H 1 0.525 . . . . . . . . . . . 6779 1 129 . 1 1 13 13 ILE HD13 H 1 0.525 . . . . . . . . . . . 6779 1 130 . 1 1 13 13 ILE HG21 H 1 0.593 . . . . . . . . . . . 6779 1 131 . 1 1 13 13 ILE HG22 H 1 0.593 . . . . . . . . . . . 6779 1 132 . 1 1 13 13 ILE HG23 H 1 0.593 . . . . . . . . . . . 6779 1 133 . 1 1 14 14 TYR H H 1 9.317 . . . . . . . . . . . 6779 1 134 . 1 1 14 14 TYR N N 15 129.245 . . . . . . . . . . . 6779 1 135 . 1 1 14 14 TYR CA C 13 55.328 . . . . . . . . . . . 6779 1 136 . 1 1 14 14 TYR HA H 1 4.996 . . . . . . . . . . . 6779 1 137 . 1 1 14 14 TYR CB C 13 41.134 . . . . . . . . . . . 6779 1 138 . 1 1 14 14 TYR HB2 H 1 2.362 . . . . . . . . . . . 6779 1 139 . 1 1 14 14 TYR HB3 H 1 3.198 . . . . . . . . . . . 6779 1 140 . 1 1 14 14 TYR CD1 C 13 132.294 . . . . . . . . . . . 6779 1 141 . 1 1 14 14 TYR HD1 H 1 6.688 . . . . . . . . . . . 6779 1 142 . 1 1 14 14 TYR CE1 C 13 132.377 . . . . . . . . . . . 6779 1 143 . 1 1 14 14 TYR HE1 H 1 6.438 . . . . . . . . . . . 6779 1 144 . 1 1 15 15 LEU H H 1 8.950 . . . . . . . . . . . 6779 1 145 . 1 1 15 15 LEU N N 15 123.221 . . . . . . . . . . . 6779 1 146 . 1 1 15 15 LEU CA C 13 52.543 . . . . . . . . . . . 6779 1 147 . 1 1 15 15 LEU HA H 1 5.107 . . . . . . . . . . . 6779 1 148 . 1 1 15 15 LEU CB C 13 43.981 . . . . . . . . . . . 6779 1 149 . 1 1 15 15 LEU HB2 H 1 1.147 . . . . . . . . . . . 6779 1 150 . 1 1 15 15 LEU HB3 H 1 1.872 . . . . . . . . . . . 6779 1 151 . 1 1 15 15 LEU CG C 13 27.867 . . . . . . . . . . . 6779 1 152 . 1 1 15 15 LEU CD1 C 13 25.319 . . . . . . . . . . . 6779 1 153 . 1 1 15 15 LEU HD11 H 1 0.786 . . . . . . . . . . . 6779 1 154 . 1 1 15 15 LEU HD12 H 1 0.786 . . . . . . . . . . . 6779 1 155 . 1 1 15 15 LEU HD13 H 1 0.786 . . . . . . . . . . . 6779 1 156 . 1 1 15 15 LEU CD2 C 13 24.655 . . . . . . . . . . . 6779 1 157 . 1 1 15 15 LEU HD21 H 1 0.670 . . . . . . . . . . . 6779 1 158 . 1 1 15 15 LEU HD22 H 1 0.670 . . . . . . . . . . . 6779 1 159 . 1 1 15 15 LEU HD23 H 1 0.670 . . . . . . . . . . . 6779 1 160 . 1 1 15 15 LEU HG H 1 1.325 . . . . . . . . . . . 6779 1 161 . 1 1 16 16 ASN H H 1 9.453 . . . . . . . . . . . 6779 1 162 . 1 1 16 16 ASN N N 15 129.378 . . . . . . . . . . . 6779 1 163 . 1 1 16 16 ASN CA C 13 53.498 . . . . . . . . . . . 6779 1 164 . 1 1 16 16 ASN HA H 1 4.487 . . . . . . . . . . . 6779 1 165 . 1 1 16 16 ASN CB C 13 34.819 . . . . . . . . . . . 6779 1 166 . 1 1 16 16 ASN HB2 H 1 2.898 . . . . . . . . . . . 6779 1 167 . 1 1 16 16 ASN ND2 N 15 109.147 . . . . . . . . . . . 6779 1 168 . 1 1 16 16 ASN HD21 H 1 7.784 . . . . . . . . . . . 6779 1 169 . 1 1 16 16 ASN HD22 H 1 7.349 . . . . . . . . . . . 6779 1 170 . 1 1 17 17 ASN H H 1 9.305 . . . . . . . . . . . 6779 1 171 . 1 1 17 17 ASN N N 15 108.206 . . . . . . . . . . . 6779 1 172 . 1 1 17 17 ASN CA C 13 54.431 . . . . . . . . . . . 6779 1 173 . 1 1 17 17 ASN HA H 1 4.176 . . . . . . . . . . . 6779 1 174 . 1 1 17 17 ASN CB C 13 37.310 . . . . . . . . . . . 6779 1 175 . 1 1 17 17 ASN HB2 H 1 2.994 . . . . . . . . . . . 6779 1 176 . 1 1 17 17 ASN HB3 H 1 3.033 . . . . . . . . . . . 6779 1 177 . 1 1 17 17 ASN ND2 N 15 113.009 . . . . . . . . . . . 6779 1 178 . 1 1 17 17 ASN HD21 H 1 7.475 . . . . . . . . . . . 6779 1 179 . 1 1 17 17 ASN HD22 H 1 6.777 . . . . . . . . . . . 6779 1 180 . 1 1 18 18 GLY H H 1 8.068 . . . . . . . . . . . 6779 1 181 . 1 1 18 18 GLY N N 15 108.290 . . . . . . . . . . . 6779 1 182 . 1 1 18 18 GLY CA C 13 43.437 . . . . . . . . . . . 6779 1 183 . 1 1 18 18 GLY HA2 H 1 4.594 . . . . . . . . . . . 6779 1 184 . 1 1 18 18 GLY HA3 H 1 3.481 . . . . . . . . . . . 6779 1 185 . 1 1 19 19 TYR H H 1 8.781 . . . . . . . . . . . 6779 1 186 . 1 1 19 19 TYR N N 15 127.336 . . . . . . . . . . . 6779 1 187 . 1 1 19 19 TYR CA C 13 58.543 . . . . . . . . . . . 6779 1 188 . 1 1 19 19 TYR HA H 1 2.885 . . . . . . . . . . . 6779 1 189 . 1 1 19 19 TYR CB C 13 36.742 . . . . . . . . . . . 6779 1 190 . 1 1 19 19 TYR HB2 H 1 2.496 . . . . . . . . . . . 6779 1 191 . 1 1 19 19 TYR HB3 H 1 2.421 . . . . . . . . . . . 6779 1 192 . 1 1 19 19 TYR CD1 C 13 132.395 . . . . . . . . . . . 6779 1 193 . 1 1 19 19 TYR HD1 H 1 6.436 . . . . . . . . . . . 6779 1 194 . 1 1 19 19 TYR CE1 C 13 117.137 . . . . . . . . . . . 6779 1 195 . 1 1 19 19 TYR HE1 H 1 6.371 . . . . . . . . . . . 6779 1 196 . 1 1 20 20 MET H H 1 8.400 . . . . . . . . . . . 6779 1 197 . 1 1 20 20 MET N N 15 125.356 . . . . . . . . . . . 6779 1 198 . 1 1 20 20 MET CA C 13 53.468 . . . . . . . . . . . 6779 1 199 . 1 1 20 20 MET HA H 1 4.482 . . . . . . . . . . . 6779 1 200 . 1 1 20 20 MET CB C 13 33.861 . . . . . . . . . . . 6779 1 201 . 1 1 20 20 MET HB2 H 1 1.508 . . . . . . . . . . . 6779 1 202 . 1 1 20 20 MET HB3 H 1 1.460 . . . . . . . . . . . 6779 1 203 . 1 1 20 20 MET CG C 13 31.613 . . . . . . . . . . . 6779 1 204 . 1 1 20 20 MET HG2 H 1 2.524 . . . . . . . . . . . 6779 1 205 . 1 1 20 20 MET HG3 H 1 2.323 . . . . . . . . . . . 6779 1 206 . 1 1 20 20 MET CE C 13 17.374 . . . . . . . . . . . 6779 1 207 . 1 1 20 20 MET HE1 H 1 1.959 . . . . . . . . . . . 6779 1 208 . 1 1 20 20 MET HE2 H 1 1.959 . . . . . . . . . . . 6779 1 209 . 1 1 20 20 MET HE3 H 1 1.959 . . . . . . . . . . . 6779 1 210 . 1 1 21 21 ALA H H 1 6.531 . . . . . . . . . . . 6779 1 211 . 1 1 21 21 ALA N N 15 117.196 . . . . . . . . . . . 6779 1 212 . 1 1 21 21 ALA CA C 13 51.277 . . . . . . . . . . . 6779 1 213 . 1 1 21 21 ALA HA H 1 4.072 . . . . . . . . . . . 6779 1 214 . 1 1 21 21 ALA CB C 13 20.922 . . . . . . . . . . . 6779 1 215 . 1 1 21 21 ALA HB1 H 1 1.076 . . . . . . . . . . . 6779 1 216 . 1 1 21 21 ALA HB2 H 1 1.076 . . . . . . . . . . . 6779 1 217 . 1 1 21 21 ALA HB3 H 1 1.076 . . . . . . . . . . . 6779 1 218 . 1 1 22 22 THR H H 1 8.653 . . . . . . . . . . . 6779 1 219 . 1 1 22 22 THR N N 15 118.757 . . . . . . . . . . . 6779 1 220 . 1 1 22 22 THR CA C 13 61.416 . . . . . . . . . . . 6779 1 221 . 1 1 22 22 THR HA H 1 5.439 . . . . . . . . . . . 6779 1 222 . 1 1 22 22 THR CB C 13 70.297 . . . . . . . . . . . 6779 1 223 . 1 1 22 22 THR HB H 1 3.768 . . . . . . . . . . . 6779 1 224 . 1 1 22 22 THR CG2 C 13 19.327 . . . . . . . . . . . 6779 1 225 . 1 1 22 22 THR HG21 H 1 1.080 . . . . . . . . . . . 6779 1 226 . 1 1 22 22 THR HG22 H 1 1.080 . . . . . . . . . . . 6779 1 227 . 1 1 22 22 THR HG23 H 1 1.080 . . . . . . . . . . . 6779 1 228 . 1 1 23 23 ARG H H 1 8.810 . . . . . . . . . . . 6779 1 229 . 1 1 23 23 ARG N N 15 122.557 . . . . . . . . . . . 6779 1 230 . 1 1 23 23 ARG CA C 13 53.167 . . . . . . . . . . . 6779 1 231 . 1 1 23 23 ARG HA H 1 4.549 . . . . . . . . . . . 6779 1 232 . 1 1 23 23 ARG CB C 13 33.551 . . . . . . . . . . . 6779 1 233 . 1 1 23 23 ARG HB2 H 1 1.851 . . . . . . . . . . . 6779 1 234 . 1 1 23 23 ARG HB3 H 1 1.429 . . . . . . . . . . . 6779 1 235 . 1 1 23 23 ARG CG C 13 25.634 . . . . . . . . . . . 6779 1 236 . 1 1 23 23 ARG HG2 H 1 1.267 . . . . . . . . . . . 6779 1 237 . 1 1 23 23 ARG HG3 H 1 1.184 . . . . . . . . . . . 6779 1 238 . 1 1 23 23 ARG CD C 13 42.277 . . . . . . . . . . . 6779 1 239 . 1 1 23 23 ARG HD2 H 1 2.989 . . . . . . . . . . . 6779 1 240 . 1 1 23 23 ARG HD3 H 1 2.963 . . . . . . . . . . . 6779 1 241 . 1 1 24 24 ASP H H 1 8.358 . . . . . . . . . . . 6779 1 242 . 1 1 24 24 ASP N N 15 120.915 . . . . . . . . . . . 6779 1 243 . 1 1 24 24 ASP CA C 13 53.804 . . . . . . . . . . . 6779 1 244 . 1 1 24 24 ASP HA H 1 4.849 . . . . . . . . . . . 6779 1 245 . 1 1 24 24 ASP CB C 13 39.574 . . . . . . . . . . . 6779 1 246 . 1 1 24 24 ASP HB2 H 1 2.090 . . . . . . . . . . . 6779 1 247 . 1 1 24 24 ASP HB3 H 1 2.403 . . . . . . . . . . . 6779 1 248 . 1 1 25 25 VAL H H 1 9.058 . . . . . . . . . . . 6779 1 249 . 1 1 25 25 VAL N N 15 127.435 . . . . . . . . . . . 6779 1 250 . 1 1 25 25 VAL CA C 13 60.447 . . . . . . . . . . . 6779 1 251 . 1 1 25 25 VAL HA H 1 4.124 . . . . . . . . . . . 6779 1 252 . 1 1 25 25 VAL CB C 13 34.204 . . . . . . . . . . . 6779 1 253 . 1 1 25 25 VAL HB H 1 1.946 . . . . . . . . . . . 6779 1 254 . 1 1 25 25 VAL CG1 C 13 20.879 . . . . . . . . . . . 6779 1 255 . 1 1 25 25 VAL HG11 H 1 0.237 . . . . . . . . . . . 6779 1 256 . 1 1 25 25 VAL HG12 H 1 0.237 . . . . . . . . . . . 6779 1 257 . 1 1 25 25 VAL HG13 H 1 0.237 . . . . . . . . . . . 6779 1 258 . 1 1 25 25 VAL CG2 C 13 21.860 . . . . . . . . . . . 6779 1 259 . 1 1 25 25 VAL HG21 H 1 0.675 . . . . . . . . . . . 6779 1 260 . 1 1 25 25 VAL HG22 H 1 0.675 . . . . . . . . . . . 6779 1 261 . 1 1 25 25 VAL HG23 H 1 0.675 . . . . . . . . . . . 6779 1 262 . 1 1 26 26 THR H H 1 9.290 . . . . . . . . . . . 6779 1 263 . 1 1 26 26 THR N N 15 126.055 . . . . . . . . . . . 6779 1 264 . 1 1 26 26 THR CA C 13 62.942 . . . . . . . . . . . 6779 1 265 . 1 1 26 26 THR HA H 1 4.444 . . . . . . . . . . . 6779 1 266 . 1 1 26 26 THR CB C 13 68.680 . . . . . . . . . . . 6779 1 267 . 1 1 26 26 THR HB H 1 3.846 . . . . . . . . . . . 6779 1 268 . 1 1 26 26 THR CG2 C 13 21.215 . . . . . . . . . . . 6779 1 269 . 1 1 26 26 THR HG21 H 1 0.994 . . . . . . . . . . . 6779 1 270 . 1 1 26 26 THR HG22 H 1 0.994 . . . . . . . . . . . 6779 1 271 . 1 1 26 26 THR HG23 H 1 0.994 . . . . . . . . . . . 6779 1 272 . 1 1 27 27 PHE H H 1 9.456 . . . . . . . . . . . 6779 1 273 . 1 1 27 27 PHE N N 15 125.903 . . . . . . . . . . . 6779 1 274 . 1 1 27 27 PHE CA C 13 55.072 . . . . . . . . . . . 6779 1 275 . 1 1 27 27 PHE HA H 1 4.989 . . . . . . . . . . . 6779 1 276 . 1 1 27 27 PHE CB C 13 40.827 . . . . . . . . . . . 6779 1 277 . 1 1 27 27 PHE HB2 H 1 2.465 . . . . . . . . . . . 6779 1 278 . 1 1 27 27 PHE HB3 H 1 3.096 . . . . . . . . . . . 6779 1 279 . 1 1 27 27 PHE CD1 C 13 132.688 . . . . . . . . . . . 6779 1 280 . 1 1 27 27 PHE HD1 H 1 7.046 . . . . . . . . . . . 6779 1 281 . 1 1 27 27 PHE CE1 C 13 133.299 . . . . . . . . . . . 6779 1 282 . 1 1 27 27 PHE HE1 H 1 6.820 . . . . . . . . . . . 6779 1 283 . 1 1 27 27 PHE CZ C 13 116.458 . . . . . . . . . . . 6779 1 284 . 1 1 27 27 PHE HZ H 1 6.307 . . . . . . . . . . . 6779 1 285 . 1 1 28 28 ASN H H 1 8.317 . . . . . . . . . . . 6779 1 286 . 1 1 28 28 ASN N N 15 120.044 . . . . . . . . . . . 6779 1 287 . 1 1 28 28 ASN CA C 13 50.642 . . . . . . . . . . . 6779 1 288 . 1 1 28 28 ASN HA H 1 5.158 . . . . . . . . . . . 6779 1 289 . 1 1 28 28 ASN CB C 13 41.475 . . . . . . . . . . . 6779 1 290 . 1 1 28 28 ASN HB2 H 1 2.437 . . . . . . . . . . . 6779 1 291 . 1 1 28 28 ASN HB3 H 1 2.775 . . . . . . . . . . . 6779 1 292 . 1 1 28 28 ASN ND2 N 15 113.738 . . . . . . . . . . . 6779 1 293 . 1 1 28 28 ASN HD21 H 1 7.745 . . . . . . . . . . . 6779 1 294 . 1 1 28 28 ASN HD22 H 1 6.893 . . . . . . . . . . . 6779 1 295 . 1 1 29 29 THR H H 1 8.857 . . . . . . . . . . . 6779 1 296 . 1 1 29 29 THR N N 15 116.514 . . . . . . . . . . . 6779 1 297 . 1 1 29 29 THR CA C 13 63.292 . . . . . . . . . . . 6779 1 298 . 1 1 29 29 THR HA H 1 4.517 . . . . . . . . . . . 6779 1 299 . 1 1 29 29 THR CB C 13 68.397 . . . . . . . . . . . 6779 1 300 . 1 1 29 29 THR HB H 1 3.981 . . . . . . . . . . . 6779 1 301 . 1 1 29 29 THR CG2 C 13 21.239 . . . . . . . . . . . 6779 1 302 . 1 1 29 29 THR HG21 H 1 1.217 . . . . . . . . . . . 6779 1 303 . 1 1 29 29 THR HG22 H 1 1.217 . . . . . . . . . . . 6779 1 304 . 1 1 29 29 THR HG23 H 1 1.217 . . . . . . . . . . . 6779 1 305 . 1 1 30 30 GLY H H 1 7.928 . . . . . . . . . . . 6779 1 306 . 1 1 30 30 GLY N N 15 111.310 . . . . . . . . . . . 6779 1 307 . 1 1 30 30 GLY CA C 13 44.976 . . . . . . . . . . . 6779 1 308 . 1 1 30 30 GLY HA2 H 1 3.653 . . . . . . . . . . . 6779 1 309 . 1 1 30 30 GLY HA3 H 1 4.041 . . . . . . . . . . . 6779 1 310 . 1 1 31 31 ASP H H 1 8.255 . . . . . . . . . . . 6779 1 311 . 1 1 31 31 ASP N N 15 119.459 . . . . . . . . . . . 6779 1 312 . 1 1 31 31 ASP CA C 13 53.171 . . . . . . . . . . . 6779 1 313 . 1 1 31 31 ASP HA H 1 4.532 . . . . . . . . . . . 6779 1 314 . 1 1 31 31 ASP CB C 13 39.243 . . . . . . . . . . . 6779 1 315 . 1 1 31 31 ASP HB2 H 1 2.565 . . . . . . . . . . . 6779 1 316 . 1 1 31 31 ASP HB3 H 1 2.423 . . . . . . . . . . . 6779 1 317 . 1 1 32 32 SER H H 1 7.675 . . . . . . . . . . . 6779 1 318 . 1 1 32 32 SER N N 15 117.330 . . . . . . . . . . . 6779 1 319 . 1 1 32 32 SER CA C 13 56.374 . . . . . . . . . . . 6779 1 320 . 1 1 32 32 SER HA H 1 4.685 . . . . . . . . . . . 6779 1 321 . 1 1 32 32 SER CB C 13 64.899 . . . . . . . . . . . 6779 1 322 . 1 1 32 32 SER HB2 H 1 3.623 . . . . . . . . . . . 6779 1 323 . 1 1 32 32 SER HB3 H 1 4.174 . . . . . . . . . . . 6779 1 324 . 1 1 33 33 GLU CA C 13 58.509 . . . . . . . . . . . 6779 1 325 . 1 1 33 33 GLU HA H 1 4.092 . . . . . . . . . . . 6779 1 326 . 1 1 33 33 GLU CB C 13 28.792 . . . . . . . . . . . 6779 1 327 . 1 1 33 33 GLU HB2 H 1 2.054 . . . . . . . . . . . 6779 1 328 . 1 1 33 33 GLU HB3 H 1 2.251 . . . . . . . . . . . 6779 1 329 . 1 1 33 33 GLU CG C 13 35.760 . . . . . . . . . . . 6779 1 330 . 1 1 33 33 GLU HG2 H 1 2.282 . . . . . . . . . . . 6779 1 331 . 1 1 33 33 GLU HG3 H 1 2.255 . . . . . . . . . . . 6779 1 332 . 1 1 34 34 GLN H H 1 8.063 . . . . . . . . . . . 6779 1 333 . 1 1 34 34 GLN N N 15 113.614 . . . . . . . . . . . 6779 1 334 . 1 1 34 34 GLN CA C 13 55.651 . . . . . . . . . . . 6779 1 335 . 1 1 34 34 GLN HA H 1 4.420 . . . . . . . . . . . 6779 1 336 . 1 1 34 34 GLN CB C 13 29.756 . . . . . . . . . . . 6779 1 337 . 1 1 34 34 GLN HB2 H 1 1.919 . . . . . . . . . . . 6779 1 338 . 1 1 34 34 GLN HB3 H 1 2.030 . . . . . . . . . . . 6779 1 339 . 1 1 34 34 GLN CG C 13 34.518 . . . . . . . . . . . 6779 1 340 . 1 1 34 34 GLN HG2 H 1 2.367 . . . . . . . . . . . 6779 1 341 . 1 1 34 34 GLN HG3 H 1 2.267 . . . . . . . . . . . 6779 1 342 . 1 1 34 34 GLN NE2 N 15 114.473 . . . . . . . . . . . 6779 1 343 . 1 1 34 34 GLN HE21 H 1 7.669 . . . . . . . . . . . 6779 1 344 . 1 1 34 34 GLN HE22 H 1 7.594 . . . . . . . . . . . 6779 1 345 . 1 1 35 35 GLY H H 1 7.834 . . . . . . . . . . . 6779 1 346 . 1 1 35 35 GLY N N 15 108.131 . . . . . . . . . . . 6779 1 347 . 1 1 35 35 GLY CA C 13 44.942 . . . . . . . . . . . 6779 1 348 . 1 1 35 35 GLY HA2 H 1 3.854 . . . . . . . . . . . 6779 1 349 . 1 1 35 35 GLY HA3 H 1 4.203 . . . . . . . . . . . 6779 1 350 . 1 1 36 36 ILE H H 1 6.738 . . . . . . . . . . . 6779 1 351 . 1 1 36 36 ILE N N 15 109.728 . . . . . . . . . . . 6779 1 352 . 1 1 36 36 ILE CA C 13 57.592 . . . . . . . . . . . 6779 1 353 . 1 1 36 36 ILE HA H 1 5.219 . . . . . . . . . . . 6779 1 354 . 1 1 36 36 ILE CB C 13 43.029 . . . . . . . . . . . 6779 1 355 . 1 1 36 36 ILE HB H 1 1.545 . . . . . . . . . . . 6779 1 356 . 1 1 36 36 ILE CG2 C 13 17.099 . . . . . . . . . . . 6779 1 357 . 1 1 36 36 ILE CG1 C 13 23.082 . . . . . . . . . . . 6779 1 358 . 1 1 36 36 ILE HG12 H 1 1.025 . . . . . . . . . . . 6779 1 359 . 1 1 36 36 ILE HG13 H 1 0.684 . . . . . . . . . . . 6779 1 360 . 1 1 36 36 ILE CD1 C 13 12.671 . . . . . . . . . . . 6779 1 361 . 1 1 36 36 ILE HD11 H 1 0.101 . . . . . . . . . . . 6779 1 362 . 1 1 36 36 ILE HD12 H 1 0.101 . . . . . . . . . . . 6779 1 363 . 1 1 36 36 ILE HD13 H 1 0.101 . . . . . . . . . . . 6779 1 364 . 1 1 36 36 ILE HG21 H 1 0.600 . . . . . . . . . . . 6779 1 365 . 1 1 36 36 ILE HG22 H 1 0.600 . . . . . . . . . . . 6779 1 366 . 1 1 36 36 ILE HG23 H 1 0.600 . . . . . . . . . . . 6779 1 367 . 1 1 37 37 VAL H H 1 9.303 . . . . . . . . . . . 6779 1 368 . 1 1 37 37 VAL N N 15 117.035 . . . . . . . . . . . 6779 1 369 . 1 1 37 37 VAL CA C 13 56.690 . . . . . . . . . . . 6779 1 370 . 1 1 37 37 VAL HA H 1 4.759 . . . . . . . . . . . 6779 1 371 . 1 1 37 37 VAL CB C 13 33.796 . . . . . . . . . . . 6779 1 372 . 1 1 37 37 VAL HB H 1 2.048 . . . . . . . . . . . 6779 1 373 . 1 1 37 37 VAL CG1 C 13 21.146 . . . . . . . . . . . 6779 1 374 . 1 1 37 37 VAL HG11 H 1 0.788 . . . . . . . . . . . 6779 1 375 . 1 1 37 37 VAL HG12 H 1 0.788 . . . . . . . . . . . 6779 1 376 . 1 1 37 37 VAL HG13 H 1 0.788 . . . . . . . . . . . 6779 1 377 . 1 1 37 37 VAL CG2 C 13 17.723 . . . . . . . . . . . 6779 1 378 . 1 1 37 37 VAL HG21 H 1 0.662 . . . . . . . . . . . 6779 1 379 . 1 1 37 37 VAL HG22 H 1 0.662 . . . . . . . . . . . 6779 1 380 . 1 1 37 37 VAL HG23 H 1 0.662 . . . . . . . . . . . 6779 1 381 . 1 1 38 38 PRO CA C 13 60.804 . . . . . . . . . . . 6779 1 382 . 1 1 38 38 PRO HA H 1 3.361 . . . . . . . . . . . 6779 1 383 . 1 1 38 38 PRO CB C 13 31.054 . . . . . . . . . . . 6779 1 384 . 1 1 38 38 PRO HB2 H 1 0.973 . . . . . . . . . . . 6779 1 385 . 1 1 38 38 PRO HB3 H 1 1.105 . . . . . . . . . . . 6779 1 386 . 1 1 38 38 PRO CG C 13 25.290 . . . . . . . . . . . 6779 1 387 . 1 1 38 38 PRO HG2 H 1 1.575 . . . . . . . . . . . 6779 1 388 . 1 1 38 38 PRO HG3 H 1 1.896 . . . . . . . . . . . 6779 1 389 . 1 1 38 38 PRO CD C 13 48.749 . . . . . . . . . . . 6779 1 390 . 1 1 38 38 PRO HD2 H 1 3.578 . . . . . . . . . . . 6779 1 391 . 1 1 38 38 PRO HD3 H 1 3.686 . . . . . . . . . . . 6779 1 392 . 1 1 39 39 CYS H H 1 8.343 . . . . . . . . . . . 6779 1 393 . 1 1 39 39 CYS N N 15 122.484 . . . . . . . . . . . 6779 1 394 . 1 1 39 39 CYS CA C 13 56.055 . . . . . . . . . . . 6779 1 395 . 1 1 39 39 CYS HA H 1 4.584 . . . . . . . . . . . 6779 1 396 . 1 1 39 39 CYS CB C 13 44.632 . . . . . . . . . . . 6779 1 397 . 1 1 39 39 CYS HB2 H 1 3.323 . . . . . . . . . . . 6779 1 398 . 1 1 39 39 CYS HB3 H 1 2.571 . . . . . . . . . . . 6779 1 399 . 1 1 40 40 LEU H H 1 9.125 . . . . . . . . . . . 6779 1 400 . 1 1 40 40 LEU N N 15 130.763 . . . . . . . . . . . 6779 1 401 . 1 1 40 40 LEU CA C 13 52.212 . . . . . . . . . . . 6779 1 402 . 1 1 40 40 LEU HA H 1 4.856 . . . . . . . . . . . 6779 1 403 . 1 1 40 40 LEU CB C 13 43.299 . . . . . . . . . . . 6779 1 404 . 1 1 40 40 LEU HB2 H 1 1.600 . . . . . . . . . . . 6779 1 405 . 1 1 40 40 LEU HB3 H 1 1.039 . . . . . . . . . . . 6779 1 406 . 1 1 40 40 LEU CG C 13 26.570 . . . . . . . . . . . 6779 1 407 . 1 1 40 40 LEU CD1 C 13 25.942 . . . . . . . . . . . 6779 1 408 . 1 1 40 40 LEU HD11 H 1 0.592 . . . . . . . . . . . 6779 1 409 . 1 1 40 40 LEU HD12 H 1 0.592 . . . . . . . . . . . 6779 1 410 . 1 1 40 40 LEU HD13 H 1 0.592 . . . . . . . . . . . 6779 1 411 . 1 1 40 40 LEU HG H 1 1.201 . . . . . . . . . . . 6779 1 412 . 1 1 41 41 THR H H 1 8.159 . . . . . . . . . . . 6779 1 413 . 1 1 41 41 THR N N 15 111.716 . . . . . . . . . . . 6779 1 414 . 1 1 41 41 THR CA C 13 59.400 . . . . . . . . . . . 6779 1 415 . 1 1 41 41 THR HA H 1 4.686 . . . . . . . . . . . 6779 1 416 . 1 1 41 41 THR CB C 13 70.781 . . . . . . . . . . . 6779 1 417 . 1 1 41 41 THR HB H 1 4.697 . . . . . . . . . . . 6779 1 418 . 1 1 41 41 THR CG2 C 13 20.558 . . . . . . . . . . . 6779 1 419 . 1 1 41 41 THR HG21 H 1 0.959 . . . . . . . . . . . 6779 1 420 . 1 1 41 41 THR HG22 H 1 0.959 . . . . . . . . . . . 6779 1 421 . 1 1 41 41 THR HG23 H 1 0.959 . . . . . . . . . . . 6779 1 422 . 1 1 42 42 ARG H H 1 9.565 . . . . . . . . . . . 6779 1 423 . 1 1 42 42 ARG N N 15 122.330 . . . . . . . . . . . 6779 1 424 . 1 1 42 42 ARG CA C 13 59.811 . . . . . . . . . . . 6779 1 425 . 1 1 42 42 ARG HA H 1 3.626 . . . . . . . . . . . 6779 1 426 . 1 1 42 42 ARG CB C 13 28.795 . . . . . . . . . . . 6779 1 427 . 1 1 42 42 ARG HB2 H 1 1.947 . . . . . . . . . . . 6779 1 428 . 1 1 42 42 ARG HB3 H 1 1.497 . . . . . . . . . . . 6779 1 429 . 1 1 42 42 ARG CG C 13 26.600 . . . . . . . . . . . 6779 1 430 . 1 1 42 42 ARG HG2 H 1 1.485 . . . . . . . . . . . 6779 1 431 . 1 1 42 42 ARG HG3 H 1 0.861 . . . . . . . . . . . 6779 1 432 . 1 1 42 42 ARG CD C 13 43.055 . . . . . . . . . . . 6779 1 433 . 1 1 42 42 ARG HD2 H 1 3.186 . . . . . . . . . . . 6779 1 434 . 1 1 42 42 ARG HD3 H 1 2.908 . . . . . . . . . . . 6779 1 435 . 1 1 43 43 ALA H H 1 8.922 . . . . . . . . . . . 6779 1 436 . 1 1 43 43 ALA N N 15 119.759 . . . . . . . . . . . 6779 1 437 . 1 1 43 43 ALA CA C 13 53.819 . . . . . . . . . . . 6779 1 438 . 1 1 43 43 ALA HA H 1 4.044 . . . . . . . . . . . 6779 1 439 . 1 1 43 43 ALA CB C 13 17.415 . . . . . . . . . . . 6779 1 440 . 1 1 43 43 ALA HB1 H 1 1.285 . . . . . . . . . . . 6779 1 441 . 1 1 43 43 ALA HB2 H 1 1.285 . . . . . . . . . . . 6779 1 442 . 1 1 43 43 ALA HB3 H 1 1.285 . . . . . . . . . . . 6779 1 443 . 1 1 44 44 GLN H H 1 7.623 . . . . . . . . . . . 6779 1 444 . 1 1 44 44 GLN N N 15 118.706 . . . . . . . . . . . 6779 1 445 . 1 1 44 44 GLN CA C 13 57.945 . . . . . . . . . . . 6779 1 446 . 1 1 44 44 GLN HA H 1 3.750 . . . . . . . . . . . 6779 1 447 . 1 1 44 44 GLN CB C 13 27.214 . . . . . . . . . . . 6779 1 448 . 1 1 44 44 GLN HB2 H 1 1.580 . . . . . . . . . . . 6779 1 449 . 1 1 44 44 GLN HB3 H 1 2.233 . . . . . . . . . . . 6779 1 450 . 1 1 44 44 GLN CG C 13 33.528 . . . . . . . . . . . 6779 1 451 . 1 1 44 44 GLN HG2 H 1 2.196 . . . . . . . . . . . 6779 1 452 . 1 1 44 44 GLN HG3 H 1 2.318 . . . . . . . . . . . 6779 1 453 . 1 1 44 44 GLN NE2 N 15 109.023 . . . . . . . . . . . 6779 1 454 . 1 1 44 44 GLN HE21 H 1 6.651 . . . . . . . . . . . 6779 1 455 . 1 1 44 44 GLN HE22 H 1 7.252 . . . . . . . . . . . 6779 1 456 . 1 1 45 45 LEU H H 1 8.263 . . . . . . . . . . . 6779 1 457 . 1 1 45 45 LEU N N 15 120.053 . . . . . . . . . . . 6779 1 458 . 1 1 45 45 LEU CA C 13 57.278 . . . . . . . . . . . 6779 1 459 . 1 1 45 45 LEU HA H 1 3.797 . . . . . . . . . . . 6779 1 460 . 1 1 45 45 LEU CB C 13 40.199 . . . . . . . . . . . 6779 1 461 . 1 1 45 45 LEU HB2 H 1 1.745 . . . . . . . . . . . 6779 1 462 . 1 1 45 45 LEU HB3 H 1 1.135 . . . . . . . . . . . 6779 1 463 . 1 1 45 45 LEU CG C 13 26.276 . . . . . . . . . . . 6779 1 464 . 1 1 45 45 LEU CD1 C 13 25.325 . . . . . . . . . . . 6779 1 465 . 1 1 45 45 LEU HD11 H 1 0.577 . . . . . . . . . . . 6779 1 466 . 1 1 45 45 LEU HD12 H 1 0.577 . . . . . . . . . . . 6779 1 467 . 1 1 45 45 LEU HD13 H 1 0.577 . . . . . . . . . . . 6779 1 468 . 1 1 45 45 LEU CD2 C 13 21.846 . . . . . . . . . . . 6779 1 469 . 1 1 45 45 LEU HD21 H 1 0.582 . . . . . . . . . . . 6779 1 470 . 1 1 45 45 LEU HD22 H 1 0.582 . . . . . . . . . . . 6779 1 471 . 1 1 45 45 LEU HD23 H 1 0.582 . . . . . . . . . . . 6779 1 472 . 1 1 45 45 LEU HG H 1 1.535 . . . . . . . . . . . 6779 1 473 . 1 1 46 46 ALA H H 1 8.941 . . . . . . . . . . . 6779 1 474 . 1 1 46 46 ALA N N 15 123.638 . . . . . . . . . . . 6779 1 475 . 1 1 46 46 ALA CA C 13 53.833 . . . . . . . . . . . 6779 1 476 . 1 1 46 46 ALA HA H 1 4.555 . . . . . . . . . . . 6779 1 477 . 1 1 46 46 ALA CB C 13 17.113 . . . . . . . . . . . 6779 1 478 . 1 1 46 46 ALA HB1 H 1 1.436 . . . . . . . . . . . 6779 1 479 . 1 1 46 46 ALA HB2 H 1 1.436 . . . . . . . . . . . 6779 1 480 . 1 1 46 46 ALA HB3 H 1 1.436 . . . . . . . . . . . 6779 1 481 . 1 1 47 47 SER H H 1 7.994 . . . . . . . . . . . 6779 1 482 . 1 1 47 47 SER N N 15 114.761 . . . . . . . . . . . 6779 1 483 . 1 1 47 47 SER CA C 13 60.445 . . . . . . . . . . . 6779 1 484 . 1 1 47 47 SER HA H 1 4.178 . . . . . . . . . . . 6779 1 485 . 1 1 47 47 SER CB C 13 62.030 . . . . . . . . . . . 6779 1 486 . 1 1 47 47 SER HB2 H 1 3.867 . . . . . . . . . . . 6779 1 487 . 1 1 47 47 SER HB3 H 1 3.906 . . . . . . . . . . . 6779 1 488 . 1 1 48 48 MET H H 1 7.168 . . . . . . . . . . . 6779 1 489 . 1 1 48 48 MET N N 15 118.743 . . . . . . . . . . . 6779 1 490 . 1 1 48 48 MET CA C 13 55.400 . . . . . . . . . . . 6779 1 491 . 1 1 48 48 MET HA H 1 4.258 . . . . . . . . . . . 6779 1 492 . 1 1 48 48 MET CB C 13 32.908 . . . . . . . . . . . 6779 1 493 . 1 1 48 48 MET HB2 H 1 1.911 . . . . . . . . . . . 6779 1 494 . 1 1 48 48 MET HB3 H 1 2.201 . . . . . . . . . . . 6779 1 495 . 1 1 48 48 MET CG C 13 31.959 . . . . . . . . . . . 6779 1 496 . 1 1 48 48 MET HG2 H 1 2.693 . . . . . . . . . . . 6779 1 497 . 1 1 48 48 MET HG3 H 1 2.203 . . . . . . . . . . . 6779 1 498 . 1 1 48 48 MET CE C 13 16.010 . . . . . . . . . . . 6779 1 499 . 1 1 48 48 MET HE1 H 1 1.686 . . . . . . . . . . . 6779 1 500 . 1 1 48 48 MET HE2 H 1 1.686 . . . . . . . . . . . 6779 1 501 . 1 1 48 48 MET HE3 H 1 1.686 . . . . . . . . . . . 6779 1 502 . 1 1 49 49 GLY H H 1 7.473 . . . . . . . . . . . 6779 1 503 . 1 1 49 49 GLY N N 15 103.138 . . . . . . . . . . . 6779 1 504 . 1 1 49 49 GLY CA C 13 43.992 . . . . . . . . . . . 6779 1 505 . 1 1 49 49 GLY HA2 H 1 4.278 . . . . . . . . . . . 6779 1 506 . 1 1 49 49 GLY HA3 H 1 3.509 . . . . . . . . . . . 6779 1 507 . 1 1 50 50 LEU H H 1 7.586 . . . . . . . . . . . 6779 1 508 . 1 1 50 50 LEU N N 15 122.640 . . . . . . . . . . . 6779 1 509 . 1 1 50 50 LEU CA C 13 55.428 . . . . . . . . . . . 6779 1 510 . 1 1 50 50 LEU HA H 1 4.340 . . . . . . . . . . . 6779 1 511 . 1 1 50 50 LEU CB C 13 42.133 . . . . . . . . . . . 6779 1 512 . 1 1 50 50 LEU HB2 H 1 1.217 . . . . . . . . . . . 6779 1 513 . 1 1 50 50 LEU HB3 H 1 0.903 . . . . . . . . . . . 6779 1 514 . 1 1 50 50 LEU CG C 13 26.612 . . . . . . . . . . . 6779 1 515 . 1 1 50 50 LEU CD1 C 13 24.659 . . . . . . . . . . . 6779 1 516 . 1 1 50 50 LEU HD11 H 1 0.757 . . . . . . . . . . . 6779 1 517 . 1 1 50 50 LEU HD12 H 1 0.757 . . . . . . . . . . . 6779 1 518 . 1 1 50 50 LEU HD13 H 1 0.757 . . . . . . . . . . . 6779 1 519 . 1 1 50 50 LEU CD2 C 13 26.878 . . . . . . . . . . . 6779 1 520 . 1 1 50 50 LEU HD21 H 1 0.581 . . . . . . . . . . . 6779 1 521 . 1 1 50 50 LEU HD22 H 1 0.581 . . . . . . . . . . . 6779 1 522 . 1 1 50 50 LEU HD23 H 1 0.581 . . . . . . . . . . . 6779 1 523 . 1 1 50 50 LEU HG H 1 1.273 . . . . . . . . . . . 6779 1 524 . 1 1 51 51 ASN H H 1 9.186 . . . . . . . . . . . 6779 1 525 . 1 1 51 51 ASN N N 15 124.624 . . . . . . . . . . . 6779 1 526 . 1 1 51 51 ASN CA C 13 50.644 . . . . . . . . . . . 6779 1 527 . 1 1 51 51 ASN HA H 1 4.748 . . . . . . . . . . . 6779 1 528 . 1 1 51 51 ASN CB C 13 35.458 . . . . . . . . . . . 6779 1 529 . 1 1 51 51 ASN HB2 H 1 2.958 . . . . . . . . . . . 6779 1 530 . 1 1 51 51 ASN HB3 H 1 2.329 . . . . . . . . . . . 6779 1 531 . 1 1 51 51 ASN ND2 N 15 110.432 . . . . . . . . . . . 6779 1 532 . 1 1 51 51 ASN HD21 H 1 6.858 . . . . . . . . . . . 6779 1 533 . 1 1 51 51 ASN HD22 H 1 7.657 . . . . . . . . . . . 6779 1 534 . 1 1 52 52 THR H H 1 8.370 . . . . . . . . . . . 6779 1 535 . 1 1 52 52 THR N N 15 118.764 . . . . . . . . . . . 6779 1 536 . 1 1 52 52 THR CA C 13 64.566 . . . . . . . . . . . 6779 1 537 . 1 1 52 52 THR HA H 1 3.622 . . . . . . . . . . . 6779 1 538 . 1 1 52 52 THR CB C 13 66.843 . . . . . . . . . . . 6779 1 539 . 1 1 52 52 THR HB H 1 4.083 . . . . . . . . . . . 6779 1 540 . 1 1 52 52 THR CG2 C 13 21.514 . . . . . . . . . . . 6779 1 541 . 1 1 52 52 THR HG21 H 1 1.121 . . . . . . . . . . . 6779 1 542 . 1 1 52 52 THR HG22 H 1 1.121 . . . . . . . . . . . 6779 1 543 . 1 1 52 52 THR HG23 H 1 1.121 . . . . . . . . . . . 6779 1 544 . 1 1 53 53 ALA H H 1 7.692 . . . . . . . . . . . 6779 1 545 . 1 1 53 53 ALA N N 15 121.565 . . . . . . . . . . . 6779 1 546 . 1 1 53 53 ALA CA C 13 52.836 . . . . . . . . . . . 6779 1 547 . 1 1 53 53 ALA HA H 1 4.111 . . . . . . . . . . . 6779 1 548 . 1 1 53 53 ALA CB C 13 17.414 . . . . . . . . . . . 6779 1 549 . 1 1 53 53 ALA HB1 H 1 1.331 . . . . . . . . . . . 6779 1 550 . 1 1 53 53 ALA HB2 H 1 1.331 . . . . . . . . . . . 6779 1 551 . 1 1 53 53 ALA HB3 H 1 1.331 . . . . . . . . . . . 6779 1 552 . 1 1 54 54 SER H H 1 7.579 . . . . . . . . . . . 6779 1 553 . 1 1 54 54 SER N N 15 112.024 . . . . . . . . . . . 6779 1 554 . 1 1 54 54 SER CA C 13 58.553 . . . . . . . . . . . 6779 1 555 . 1 1 54 54 SER HA H 1 4.279 . . . . . . . . . . . 6779 1 556 . 1 1 54 54 SER CB C 13 63.596 . . . . . . . . . . . 6779 1 557 . 1 1 54 54 SER HB2 H 1 3.818 . . . . . . . . . . . 6779 1 558 . 1 1 54 54 SER HB3 H 1 4.011 . . . . . . . . . . . 6779 1 559 . 1 1 55 55 VAL H H 1 7.002 . . . . . . . . . . . 6779 1 560 . 1 1 55 55 VAL N N 15 122.623 . . . . . . . . . . . 6779 1 561 . 1 1 55 55 VAL CA C 13 60.145 . . . . . . . . . . . 6779 1 562 . 1 1 55 55 VAL HA H 1 4.035 . . . . . . . . . . . 6779 1 563 . 1 1 55 55 VAL CB C 13 31.354 . . . . . . . . . . . 6779 1 564 . 1 1 55 55 VAL HB H 1 1.972 . . . . . . . . . . . 6779 1 565 . 1 1 55 55 VAL CG1 C 13 19.926 . . . . . . . . . . . 6779 1 566 . 1 1 55 55 VAL HG11 H 1 0.645 . . . . . . . . . . . 6779 1 567 . 1 1 55 55 VAL HG12 H 1 0.645 . . . . . . . . . . . 6779 1 568 . 1 1 55 55 VAL HG13 H 1 0.645 . . . . . . . . . . . 6779 1 569 . 1 1 55 55 VAL CG2 C 13 21.845 . . . . . . . . . . . 6779 1 570 . 1 1 55 55 VAL HG21 H 1 0.643 . . . . . . . . . . . 6779 1 571 . 1 1 55 55 VAL HG22 H 1 0.643 . . . . . . . . . . . 6779 1 572 . 1 1 55 55 VAL HG23 H 1 0.643 . . . . . . . . . . . 6779 1 573 . 1 1 56 56 ALA H H 1 8.772 . . . . . . . . . . . 6779 1 574 . 1 1 56 56 ALA N N 15 132.954 . . . . . . . . . . . 6779 1 575 . 1 1 56 56 ALA CA C 13 53.225 . . . . . . . . . . . 6779 1 576 . 1 1 56 56 ALA HA H 1 4.025 . . . . . . . . . . . 6779 1 577 . 1 1 56 56 ALA CB C 13 16.787 . . . . . . . . . . . 6779 1 578 . 1 1 56 56 ALA HB1 H 1 1.299 . . . . . . . . . . . 6779 1 579 . 1 1 56 56 ALA HB2 H 1 1.299 . . . . . . . . . . . 6779 1 580 . 1 1 56 56 ALA HB3 H 1 1.299 . . . . . . . . . . . 6779 1 581 . 1 1 57 57 GLY H H 1 8.718 . . . . . . . . . . . 6779 1 582 . 1 1 57 57 GLY N N 15 109.149 . . . . . . . . . . . 6779 1 583 . 1 1 57 57 GLY CA C 13 44.930 . . . . . . . . . . . 6779 1 584 . 1 1 57 57 GLY HA2 H 1 4.140 . . . . . . . . . . . 6779 1 585 . 1 1 57 57 GLY HA3 H 1 3.511 . . . . . . . . . . . 6779 1 586 . 1 1 58 58 MET H H 1 7.908 . . . . . . . . . . . 6779 1 587 . 1 1 58 58 MET N N 15 122.907 . . . . . . . . . . . 6779 1 588 . 1 1 58 58 MET CA C 13 58.225 . . . . . . . . . . . 6779 1 589 . 1 1 58 58 MET HA H 1 3.807 . . . . . . . . . . . 6779 1 590 . 1 1 58 58 MET CB C 13 31.659 . . . . . . . . . . . 6779 1 591 . 1 1 58 58 MET HB2 H 1 2.124 . . . . . . . . . . . 6779 1 592 . 1 1 58 58 MET HB3 H 1 1.950 . . . . . . . . . . . 6779 1 593 . 1 1 58 58 MET CG C 13 33.207 . . . . . . . . . . . 6779 1 594 . 1 1 58 58 MET HG2 H 1 2.398 . . . . . . . . . . . 6779 1 595 . 1 1 58 58 MET HG3 H 1 2.343 . . . . . . . . . . . 6779 1 596 . 1 1 58 58 MET CE C 13 17.097 . . . . . . . . . . . 6779 1 597 . 1 1 58 58 MET HE1 H 1 1.732 . . . . . . . . . . . 6779 1 598 . 1 1 58 58 MET HE2 H 1 1.732 . . . . . . . . . . . 6779 1 599 . 1 1 58 58 MET HE3 H 1 1.732 . . . . . . . . . . . 6779 1 600 . 1 1 59 59 ASN H H 1 8.715 . . . . . . . . . . . 6779 1 601 . 1 1 59 59 ASN N N 15 115.617 . . . . . . . . . . . 6779 1 602 . 1 1 59 59 ASN CA C 13 53.808 . . . . . . . . . . . 6779 1 603 . 1 1 59 59 ASN HA H 1 4.224 . . . . . . . . . . . 6779 1 604 . 1 1 59 59 ASN CB C 13 36.058 . . . . . . . . . . . 6779 1 605 . 1 1 59 59 ASN HB2 H 1 2.706 . . . . . . . . . . . 6779 1 606 . 1 1 59 59 ASN ND2 N 15 112.153 . . . . . . . . . . . 6779 1 607 . 1 1 59 59 ASN HD21 H 1 7.521 . . . . . . . . . . . 6779 1 608 . 1 1 59 59 ASN HD22 H 1 6.750 . . . . . . . . . . . 6779 1 609 . 1 1 60 60 LEU H H 1 7.007 . . . . . . . . . . . 6779 1 610 . 1 1 60 60 LEU N N 15 117.400 . . . . . . . . . . . 6779 1 611 . 1 1 60 60 LEU CA C 13 53.825 . . . . . . . . . . . 6779 1 612 . 1 1 60 60 LEU HA H 1 4.158 . . . . . . . . . . . 6779 1 613 . 1 1 60 60 LEU CB C 13 41.298 . . . . . . . . . . . 6779 1 614 . 1 1 60 60 LEU HB2 H 1 1.490 . . . . . . . . . . . 6779 1 615 . 1 1 60 60 LEU HB3 H 1 1.570 . . . . . . . . . . . 6779 1 616 . 1 1 60 60 LEU CG C 13 25.948 . . . . . . . . . . . 6779 1 617 . 1 1 60 60 LEU CD1 C 13 24.348 . . . . . . . . . . . 6779 1 618 . 1 1 60 60 LEU HD11 H 1 0.802 . . . . . . . . . . . 6779 1 619 . 1 1 60 60 LEU HD12 H 1 0.802 . . . . . . . . . . . 6779 1 620 . 1 1 60 60 LEU HD13 H 1 0.802 . . . . . . . . . . . 6779 1 621 . 1 1 60 60 LEU CD2 C 13 21.514 . . . . . . . . . . . 6779 1 622 . 1 1 60 60 LEU HD21 H 1 0.670 . . . . . . . . . . . 6779 1 623 . 1 1 60 60 LEU HD22 H 1 0.670 . . . . . . . . . . . 6779 1 624 . 1 1 60 60 LEU HD23 H 1 0.670 . . . . . . . . . . . 6779 1 625 . 1 1 60 60 LEU HG H 1 1.423 . . . . . . . . . . . 6779 1 626 . 1 1 61 61 LEU H H 1 6.763 . . . . . . . . . . . 6779 1 627 . 1 1 61 61 LEU N N 15 117.937 . . . . . . . . . . . 6779 1 628 . 1 1 61 61 LEU CA C 13 53.544 . . . . . . . . . . . 6779 1 629 . 1 1 61 61 LEU HA H 1 4.097 . . . . . . . . . . . 6779 1 630 . 1 1 61 61 LEU CB C 13 41.894 . . . . . . . . . . . 6779 1 631 . 1 1 61 61 LEU HB2 H 1 1.434 . . . . . . . . . . . 6779 1 632 . 1 1 61 61 LEU HB3 H 1 1.607 . . . . . . . . . . . 6779 1 633 . 1 1 61 61 LEU CG C 13 26.287 . . . . . . . . . . . 6779 1 634 . 1 1 61 61 LEU CD1 C 13 26.565 . . . . . . . . . . . 6779 1 635 . 1 1 61 61 LEU HD11 H 1 0.860 . . . . . . . . . . . 6779 1 636 . 1 1 61 61 LEU HD12 H 1 0.860 . . . . . . . . . . . 6779 1 637 . 1 1 61 61 LEU HD13 H 1 0.860 . . . . . . . . . . . 6779 1 638 . 1 1 61 61 LEU CD2 C 13 21.943 . . . . . . . . . . . 6779 1 639 . 1 1 61 61 LEU HD21 H 1 0.720 . . . . . . . . . . . 6779 1 640 . 1 1 61 61 LEU HD22 H 1 0.720 . . . . . . . . . . . 6779 1 641 . 1 1 61 61 LEU HD23 H 1 0.720 . . . . . . . . . . . 6779 1 642 . 1 1 61 61 LEU HG H 1 1.661 . . . . . . . . . . . 6779 1 643 . 1 1 62 62 ALA H H 1 8.458 . . . . . . . . . . . 6779 1 644 . 1 1 62 62 ALA N N 15 124.348 . . . . . . . . . . . 6779 1 645 . 1 1 62 62 ALA CA C 13 51.277 . . . . . . . . . . . 6779 1 646 . 1 1 62 62 ALA HA H 1 4.247 . . . . . . . . . . . 6779 1 647 . 1 1 62 62 ALA CB C 13 18.392 . . . . . . . . . . . 6779 1 648 . 1 1 62 62 ALA HB1 H 1 1.396 . . . . . . . . . . . 6779 1 649 . 1 1 62 62 ALA HB2 H 1 1.396 . . . . . . . . . . . 6779 1 650 . 1 1 62 62 ALA HB3 H 1 1.396 . . . . . . . . . . . 6779 1 651 . 1 1 63 63 ASP H H 1 8.684 . . . . . . . . . . . 6779 1 652 . 1 1 63 63 ASP N N 15 120.102 . . . . . . . . . . . 6779 1 653 . 1 1 63 63 ASP CA C 13 56.330 . . . . . . . . . . . 6779 1 654 . 1 1 63 63 ASP HA H 1 4.153 . . . . . . . . . . . 6779 1 655 . 1 1 63 63 ASP CB C 13 39.990 . . . . . . . . . . . 6779 1 656 . 1 1 63 63 ASP HB3 H 1 2.494 . . . . . . . . . . . 6779 1 657 . 1 1 64 64 ASP H H 1 8.064 . . . . . . . . . . . 6779 1 658 . 1 1 64 64 ASP N N 15 112.462 . . . . . . . . . . . 6779 1 659 . 1 1 64 64 ASP CA C 13 51.694 . . . . . . . . . . . 6779 1 660 . 1 1 64 64 ASP HA H 1 4.520 . . . . . . . . . . . 6779 1 661 . 1 1 64 64 ASP CB C 13 39.257 . . . . . . . . . . . 6779 1 662 . 1 1 64 64 ASP HB2 H 1 2.448 . . . . . . . . . . . 6779 1 663 . 1 1 64 64 ASP HB3 H 1 2.681 . . . . . . . . . . . 6779 1 664 . 1 1 65 65 ALA H H 1 7.138 . . . . . . . . . . . 6779 1 665 . 1 1 65 65 ALA N N 15 122.370 . . . . . . . . . . . 6779 1 666 . 1 1 65 65 ALA CA C 13 51.317 . . . . . . . . . . . 6779 1 667 . 1 1 65 65 ALA HA H 1 4.053 . . . . . . . . . . . 6779 1 668 . 1 1 65 65 ALA CB C 13 19.244 . . . . . . . . . . . 6779 1 669 . 1 1 65 65 ALA HB1 H 1 1.298 . . . . . . . . . . . 6779 1 670 . 1 1 65 65 ALA HB2 H 1 1.298 . . . . . . . . . . . 6779 1 671 . 1 1 65 65 ALA HB3 H 1 1.298 . . . . . . . . . . . 6779 1 672 . 1 1 66 66 CYS H H 1 8.350 . . . . . . . . . . . 6779 1 673 . 1 1 66 66 CYS N N 15 118.196 . . . . . . . . . . . 6779 1 674 . 1 1 66 66 CYS CA C 13 52.216 . . . . . . . . . . . 6779 1 675 . 1 1 66 66 CYS HA H 1 4.143 . . . . . . . . . . . 6779 1 676 . 1 1 66 66 CYS CB C 13 39.225 . . . . . . . . . . . 6779 1 677 . 1 1 66 66 CYS HB2 H 1 3.218 . . . . . . . . . . . 6779 1 678 . 1 1 66 66 CYS HB3 H 1 2.570 . . . . . . . . . . . 6779 1 679 . 1 1 67 67 VAL H H 1 9.028 . . . . . . . . . . . 6779 1 680 . 1 1 67 67 VAL N N 15 128.000 . . . . . . . . . . . 6779 1 681 . 1 1 67 67 VAL CA C 13 60.123 . . . . . . . . . . . 6779 1 682 . 1 1 67 67 VAL HA H 1 3.820 . . . . . . . . . . . 6779 1 683 . 1 1 67 67 VAL CB C 13 31.707 . . . . . . . . . . . 6779 1 684 . 1 1 67 67 VAL HB H 1 1.843 . . . . . . . . . . . 6779 1 685 . 1 1 67 67 VAL CG1 C 13 19.306 . . . . . . . . . . . 6779 1 686 . 1 1 67 67 VAL HG11 H 1 0.504 . . . . . . . . . . . 6779 1 687 . 1 1 67 67 VAL HG12 H 1 0.504 . . . . . . . . . . . 6779 1 688 . 1 1 67 67 VAL HG13 H 1 0.504 . . . . . . . . . . . 6779 1 689 . 1 1 67 67 VAL CG2 C 13 21.496 . . . . . . . . . . . 6779 1 690 . 1 1 67 67 VAL HG21 H 1 0.841 . . . . . . . . . . . 6779 1 691 . 1 1 67 67 VAL HG22 H 1 0.841 . . . . . . . . . . . 6779 1 692 . 1 1 67 67 VAL HG23 H 1 0.841 . . . . . . . . . . . 6779 1 693 . 1 1 68 68 PRO CA C 13 60.491 . . . . . . . . . . . 6779 1 694 . 1 1 68 68 PRO HA H 1 4.823 . . . . . . . . . . . 6779 1 695 . 1 1 68 68 PRO CB C 13 26.582 . . . . . . . . . . . 6779 1 696 . 1 1 68 68 PRO HB2 H 1 1.973 . . . . . . . . . . . 6779 1 697 . 1 1 68 68 PRO HB3 H 1 1.835 . . . . . . . . . . . 6779 1 698 . 1 1 68 68 PRO CG C 13 32.716 . . . . . . . . . . . 6779 1 699 . 1 1 68 68 PRO HG2 H 1 2.238 . . . . . . . . . . . 6779 1 700 . 1 1 68 68 PRO HG3 H 1 2.479 . . . . . . . . . . . 6779 1 701 . 1 1 68 68 PRO CD C 13 50.020 . . . . . . . . . . . 6779 1 702 . 1 1 68 68 PRO HD2 H 1 3.531 . . . . . . . . . . . 6779 1 703 . 1 1 68 68 PRO HD3 H 1 3.859 . . . . . . . . . . . 6779 1 704 . 1 1 69 69 LEU H H 1 7.912 . . . . . . . . . . . 6779 1 705 . 1 1 69 69 LEU N N 15 127.482 . . . . . . . . . . . 6779 1 706 . 1 1 69 69 LEU CA C 13 58.588 . . . . . . . . . . . 6779 1 707 . 1 1 69 69 LEU HA H 1 3.420 . . . . . . . . . . . 6779 1 708 . 1 1 69 69 LEU CB C 13 42.704 . . . . . . . . . . . 6779 1 709 . 1 1 69 69 LEU HB2 H 1 1.643 . . . . . . . . . . . 6779 1 710 . 1 1 69 69 LEU HB3 H 1 1.244 . . . . . . . . . . . 6779 1 711 . 1 1 69 69 LEU CG C 13 25.339 . . . . . . . . . . . 6779 1 712 . 1 1 69 69 LEU CD1 C 13 19.293 . . . . . . . . . . . 6779 1 713 . 1 1 69 69 LEU HD11 H 1 0.500 . . . . . . . . . . . 6779 1 714 . 1 1 69 69 LEU HD12 H 1 0.500 . . . . . . . . . . . 6779 1 715 . 1 1 69 69 LEU HD13 H 1 0.500 . . . . . . . . . . . 6779 1 716 . 1 1 69 69 LEU CD2 C 13 22.188 . . . . . . . . . . . 6779 1 717 . 1 1 69 69 LEU HD21 H 1 0.578 . . . . . . . . . . . 6779 1 718 . 1 1 69 69 LEU HD22 H 1 0.578 . . . . . . . . . . . 6779 1 719 . 1 1 69 69 LEU HD23 H 1 0.578 . . . . . . . . . . . 6779 1 720 . 1 1 69 69 LEU HG H 1 0.579 . . . . . . . . . . . 6779 1 721 . 1 1 70 70 THR H H 1 7.831 . . . . . . . . . . . 6779 1 722 . 1 1 70 70 THR N N 15 103.022 . . . . . . . . . . . 6779 1 723 . 1 1 70 70 THR CA C 13 62.994 . . . . . . . . . . . 6779 1 724 . 1 1 70 70 THR HA H 1 3.957 . . . . . . . . . . . 6779 1 725 . 1 1 70 70 THR CB C 13 67.436 . . . . . . . . . . . 6779 1 726 . 1 1 70 70 THR HB H 1 4.376 . . . . . . . . . . . 6779 1 727 . 1 1 70 70 THR CG2 C 13 20.887 . . . . . . . . . . . 6779 1 728 . 1 1 70 70 THR HG21 H 1 1.121 . . . . . . . . . . . 6779 1 729 . 1 1 70 70 THR HG22 H 1 1.121 . . . . . . . . . . . 6779 1 730 . 1 1 70 70 THR HG23 H 1 1.121 . . . . . . . . . . . 6779 1 731 . 1 1 71 71 THR H H 1 7.162 . . . . . . . . . . . 6779 1 732 . 1 1 71 71 THR N N 15 112.195 . . . . . . . . . . . 6779 1 733 . 1 1 71 71 THR CA C 13 62.372 . . . . . . . . . . . 6779 1 734 . 1 1 71 71 THR HA H 1 4.226 . . . . . . . . . . . 6779 1 735 . 1 1 71 71 THR CB C 13 68.348 . . . . . . . . . . . 6779 1 736 . 1 1 71 71 THR HB H 1 4.040 . . . . . . . . . . . 6779 1 737 . 1 1 71 71 THR CG2 C 13 20.941 . . . . . . . . . . . 6779 1 738 . 1 1 71 71 THR HG21 H 1 1.077 . . . . . . . . . . . 6779 1 739 . 1 1 71 71 THR HG22 H 1 1.077 . . . . . . . . . . . 6779 1 740 . 1 1 71 71 THR HG23 H 1 1.077 . . . . . . . . . . . 6779 1 741 . 1 1 72 72 MET H H 1 7.789 . . . . . . . . . . . 6779 1 742 . 1 1 72 72 MET N N 15 118.937 . . . . . . . . . . . 6779 1 743 . 1 1 72 72 MET CA C 13 56.986 . . . . . . . . . . . 6779 1 744 . 1 1 72 72 MET HA H 1 4.105 . . . . . . . . . . . 6779 1 745 . 1 1 72 72 MET CB C 13 34.752 . . . . . . . . . . . 6779 1 746 . 1 1 72 72 MET HB2 H 1 1.648 . . . . . . . . . . . 6779 1 747 . 1 1 72 72 MET HB3 H 1 2.476 . . . . . . . . . . . 6779 1 748 . 1 1 72 72 MET CG C 13 32.910 . . . . . . . . . . . 6779 1 749 . 1 1 72 72 MET HG2 H 1 2.236 . . . . . . . . . . . 6779 1 750 . 1 1 72 72 MET HG3 H 1 2.487 . . . . . . . . . . . 6779 1 751 . 1 1 72 72 MET CE C 13 16.524 . . . . . . . . . . . 6779 1 752 . 1 1 72 72 MET HE1 H 1 1.861 . . . . . . . . . . . 6779 1 753 . 1 1 72 72 MET HE2 H 1 1.861 . . . . . . . . . . . 6779 1 754 . 1 1 72 72 MET HE3 H 1 1.861 . . . . . . . . . . . 6779 1 755 . 1 1 73 73 VAL H H 1 7.599 . . . . . . . . . . . 6779 1 756 . 1 1 73 73 VAL N N 15 119.132 . . . . . . . . . . . 6779 1 757 . 1 1 73 73 VAL CA C 13 59.756 . . . . . . . . . . . 6779 1 758 . 1 1 73 73 VAL HA H 1 3.544 . . . . . . . . . . . 6779 1 759 . 1 1 73 73 VAL CB C 13 29.419 . . . . . . . . . . . 6779 1 760 . 1 1 73 73 VAL HB H 1 1.928 . . . . . . . . . . . 6779 1 761 . 1 1 73 73 VAL CG1 C 13 21.213 . . . . . . . . . . . 6779 1 762 . 1 1 73 73 VAL HG11 H 1 0.091 . . . . . . . . . . . 6779 1 763 . 1 1 73 73 VAL HG12 H 1 0.091 . . . . . . . . . . . 6779 1 764 . 1 1 73 73 VAL HG13 H 1 0.091 . . . . . . . . . . . 6779 1 765 . 1 1 73 73 VAL CG2 C 13 19.964 . . . . . . . . . . . 6779 1 766 . 1 1 73 73 VAL HG21 H 1 0.326 . . . . . . . . . . . 6779 1 767 . 1 1 73 73 VAL HG22 H 1 0.326 . . . . . . . . . . . 6779 1 768 . 1 1 73 73 VAL HG23 H 1 0.326 . . . . . . . . . . . 6779 1 769 . 1 1 74 74 GLN H H 1 7.851 . . . . . . . . . . . 6779 1 770 . 1 1 74 74 GLN N N 15 126.055 . . . . . . . . . . . 6779 1 771 . 1 1 74 74 GLN CA C 13 57.283 . . . . . . . . . . . 6779 1 772 . 1 1 74 74 GLN HA H 1 3.752 . . . . . . . . . . . 6779 1 773 . 1 1 74 74 GLN CB C 13 27.846 . . . . . . . . . . . 6779 1 774 . 1 1 74 74 GLN HB2 H 1 1.873 . . . . . . . . . . . 6779 1 775 . 1 1 74 74 GLN HB3 H 1 1.966 . . . . . . . . . . . 6779 1 776 . 1 1 74 74 GLN CG C 13 32.890 . . . . . . . . . . . 6779 1 777 . 1 1 74 74 GLN HG2 H 1 2.219 . . . . . . . . . . . 6779 1 778 . 1 1 74 74 GLN HG3 H 1 2.251 . . . . . . . . . . . 6779 1 779 . 1 1 74 74 GLN NE2 N 15 113.049 . . . . . . . . . . . 6779 1 780 . 1 1 74 74 GLN HE21 H 1 6.771 . . . . . . . . . . . 6779 1 781 . 1 1 74 74 GLN HE22 H 1 7.548 . . . . . . . . . . . 6779 1 782 . 1 1 75 75 ASP H H 1 8.500 . . . . . . . . . . . 6779 1 783 . 1 1 75 75 ASP N N 15 116.465 . . . . . . . . . . . 6779 1 784 . 1 1 75 75 ASP CA C 13 55.376 . . . . . . . . . . . 6779 1 785 . 1 1 75 75 ASP HA H 1 4.169 . . . . . . . . . . . 6779 1 786 . 1 1 75 75 ASP CB C 13 38.619 . . . . . . . . . . . 6779 1 787 . 1 1 75 75 ASP HB2 H 1 2.780 . . . . . . . . . . . 6779 1 788 . 1 1 75 75 ASP HB3 H 1 2.984 . . . . . . . . . . . 6779 1 789 . 1 1 76 76 ALA H H 1 7.972 . . . . . . . . . . . 6779 1 790 . 1 1 76 76 ALA N N 15 122.361 . . . . . . . . . . . 6779 1 791 . 1 1 76 76 ALA CA C 13 51.567 . . . . . . . . . . . 6779 1 792 . 1 1 76 76 ALA HA H 1 4.685 . . . . . . . . . . . 6779 1 793 . 1 1 76 76 ALA CB C 13 19.003 . . . . . . . . . . . 6779 1 794 . 1 1 76 76 ALA HB1 H 1 1.225 . . . . . . . . . . . 6779 1 795 . 1 1 76 76 ALA HB2 H 1 1.225 . . . . . . . . . . . 6779 1 796 . 1 1 76 76 ALA HB3 H 1 1.225 . . . . . . . . . . . 6779 1 797 . 1 1 77 77 THR H H 1 8.597 . . . . . . . . . . . 6779 1 798 . 1 1 77 77 THR N N 15 108.864 . . . . . . . . . . . 6779 1 799 . 1 1 77 77 THR CA C 13 59.848 . . . . . . . . . . . 6779 1 800 . 1 1 77 77 THR HA H 1 4.688 . . . . . . . . . . . 6779 1 801 . 1 1 77 77 THR CB C 13 72.170 . . . . . . . . . . . 6779 1 802 . 1 1 77 77 THR HB H 1 4.049 . . . . . . . . . . . 6779 1 803 . 1 1 77 77 THR CG2 C 13 20.258 . . . . . . . . . . . 6779 1 804 . 1 1 77 77 THR HG21 H 1 0.978 . . . . . . . . . . . 6779 1 805 . 1 1 77 77 THR HG22 H 1 0.978 . . . . . . . . . . . 6779 1 806 . 1 1 77 77 THR HG23 H 1 0.978 . . . . . . . . . . . 6779 1 807 . 1 1 78 78 ALA H H 1 8.518 . . . . . . . . . . . 6779 1 808 . 1 1 78 78 ALA N N 15 121.210 . . . . . . . . . . . 6779 1 809 . 1 1 78 78 ALA CA C 13 50.623 . . . . . . . . . . . 6779 1 810 . 1 1 78 78 ALA HA H 1 5.105 . . . . . . . . . . . 6779 1 811 . 1 1 78 78 ALA CB C 13 21.218 . . . . . . . . . . . 6779 1 812 . 1 1 78 78 ALA HB1 H 1 1.097 . . . . . . . . . . . 6779 1 813 . 1 1 78 78 ALA HB2 H 1 1.097 . . . . . . . . . . . 6779 1 814 . 1 1 78 78 ALA HB3 H 1 1.097 . . . . . . . . . . . 6779 1 815 . 1 1 79 79 HIS H H 1 8.434 . . . . . . . . . . . 6779 1 816 . 1 1 79 79 HIS N N 15 121.207 . . . . . . . . . . . 6779 1 817 . 1 1 79 79 HIS CA C 13 55.672 . . . . . . . . . . . 6779 1 818 . 1 1 79 79 HIS HA H 1 4.588 . . . . . . . . . . . 6779 1 819 . 1 1 79 79 HIS CB C 13 33.553 . . . . . . . . . . . 6779 1 820 . 1 1 79 79 HIS HB2 H 1 2.886 . . . . . . . . . . . 6779 1 821 . 1 1 79 79 HIS HB3 H 1 2.947 . . . . . . . . . . . 6779 1 822 . 1 1 79 79 HIS HD1 H 1 9.213 . . . . . . . . . . . 6779 1 823 . 1 1 79 79 HIS CD2 C 13 119.289 . . . . . . . . . . . 6779 1 824 . 1 1 79 79 HIS HD2 H 1 6.710 . . . . . . . . . . . 6779 1 825 . 1 1 79 79 HIS CE1 C 13 138.155 . . . . . . . . . . . 6779 1 826 . 1 1 79 79 HIS HE1 H 1 7.611 . . . . . . . . . . . 6779 1 827 . 1 1 80 80 LEU H H 1 8.944 . . . . . . . . . . . 6779 1 828 . 1 1 80 80 LEU N N 15 130.520 . . . . . . . . . . . 6779 1 829 . 1 1 80 80 LEU CA C 13 52.865 . . . . . . . . . . . 6779 1 830 . 1 1 80 80 LEU HA H 1 4.550 . . . . . . . . . . . 6779 1 831 . 1 1 80 80 LEU CB C 13 42.084 . . . . . . . . . . . 6779 1 832 . 1 1 80 80 LEU HB2 H 1 1.290 . . . . . . . . . . . 6779 1 833 . 1 1 80 80 LEU HB3 H 1 0.754 . . . . . . . . . . . 6779 1 834 . 1 1 80 80 LEU CG C 13 25.975 . . . . . . . . . . . 6779 1 835 . 1 1 80 80 LEU CD1 C 13 23.431 . . . . . . . . . . . 6779 1 836 . 1 1 80 80 LEU HD11 H 1 -0.762 . . . . . . . . . . . 6779 1 837 . 1 1 80 80 LEU HD12 H 1 -0.762 . . . . . . . . . . . 6779 1 838 . 1 1 80 80 LEU HD13 H 1 -0.762 . . . . . . . . . . . 6779 1 839 . 1 1 80 80 LEU CD2 C 13 21.524 . . . . . . . . . . . 6779 1 840 . 1 1 80 80 LEU HD21 H 1 0.149 . . . . . . . . . . . 6779 1 841 . 1 1 80 80 LEU HD22 H 1 0.149 . . . . . . . . . . . 6779 1 842 . 1 1 80 80 LEU HD23 H 1 0.149 . . . . . . . . . . . 6779 1 843 . 1 1 80 80 LEU HG H 1 0.630 . . . . . . . . . . . 6779 1 844 . 1 1 81 81 ASP H H 1 9.123 . . . . . . . . . . . 6779 1 845 . 1 1 81 81 ASP N N 15 128.069 . . . . . . . . . . . 6779 1 846 . 1 1 81 81 ASP CA C 13 51.256 . . . . . . . . . . . 6779 1 847 . 1 1 81 81 ASP HA H 1 4.643 . . . . . . . . . . . 6779 1 848 . 1 1 81 81 ASP CB C 13 40.577 . . . . . . . . . . . 6779 1 849 . 1 1 81 81 ASP HB2 H 1 2.879 . . . . . . . . . . . 6779 1 850 . 1 1 81 81 ASP HB3 H 1 2.265 . . . . . . . . . . . 6779 1 851 . 1 1 82 82 VAL H H 1 8.321 . . . . . . . . . . . 6779 1 852 . 1 1 82 82 VAL N N 15 123.490 . . . . . . . . . . . 6779 1 853 . 1 1 82 82 VAL CA C 13 64.859 . . . . . . . . . . . 6779 1 854 . 1 1 82 82 VAL HA H 1 3.408 . . . . . . . . . . . 6779 1 855 . 1 1 82 82 VAL CB C 13 31.023 . . . . . . . . . . . 6779 1 856 . 1 1 82 82 VAL HB H 1 1.857 . . . . . . . . . . . 6779 1 857 . 1 1 82 82 VAL CG1 C 13 20.734 . . . . . . . . . . . 6779 1 858 . 1 1 82 82 VAL HG11 H 1 0.729 . . . . . . . . . . . 6779 1 859 . 1 1 82 82 VAL HG12 H 1 0.729 . . . . . . . . . . . 6779 1 860 . 1 1 82 82 VAL HG13 H 1 0.729 . . . . . . . . . . . 6779 1 861 . 1 1 83 83 GLY H H 1 8.450 . . . . . . . . . . . 6779 1 862 . 1 1 83 83 GLY N N 15 109.597 . . . . . . . . . . . 6779 1 863 . 1 1 83 83 GLY CA C 13 46.186 . . . . . . . . . . . 6779 1 864 . 1 1 83 83 GLY HA2 H 1 3.771 . . . . . . . . . . . 6779 1 865 . 1 1 83 83 GLY HA3 H 1 3.835 . . . . . . . . . . . 6779 1 866 . 1 1 84 84 GLN H H 1 7.341 . . . . . . . . . . . 6779 1 867 . 1 1 84 84 GLN N N 15 115.600 . . . . . . . . . . . 6779 1 868 . 1 1 84 84 GLN CA C 13 53.807 . . . . . . . . . . . 6779 1 869 . 1 1 84 84 GLN HA H 1 4.294 . . . . . . . . . . . 6779 1 870 . 1 1 84 84 GLN CB C 13 29.114 . . . . . . . . . . . 6779 1 871 . 1 1 84 84 GLN HB2 H 1 1.358 . . . . . . . . . . . 6779 1 872 . 1 1 84 84 GLN HB3 H 1 2.075 . . . . . . . . . . . 6779 1 873 . 1 1 84 84 GLN CG C 13 33.863 . . . . . . . . . . . 6779 1 874 . 1 1 84 84 GLN HG2 H 1 2.274 . . . . . . . . . . . 6779 1 875 . 1 1 84 84 GLN HG3 H 1 2.040 . . . . . . . . . . . 6779 1 876 . 1 1 84 84 GLN NE2 N 15 112.008 . . . . . . . . . . . 6779 1 877 . 1 1 84 84 GLN HE21 H 1 7.494 . . . . . . . . . . . 6779 1 878 . 1 1 84 84 GLN HE22 H 1 6.580 . . . . . . . . . . . 6779 1 879 . 1 1 85 85 GLN H H 1 7.785 . . . . . . . . . . . 6779 1 880 . 1 1 85 85 GLN N N 15 118.309 . . . . . . . . . . . 6779 1 881 . 1 1 85 85 GLN CA C 13 56.011 . . . . . . . . . . . 6779 1 882 . 1 1 85 85 GLN HA H 1 3.626 . . . . . . . . . . . 6779 1 883 . 1 1 85 85 GLN CB C 13 25.664 . . . . . . . . . . . 6779 1 884 . 1 1 85 85 GLN HB2 H 1 2.287 . . . . . . . . . . . 6779 1 885 . 1 1 85 85 GLN HB3 H 1 2.242 . . . . . . . . . . . 6779 1 886 . 1 1 85 85 GLN CG C 13 33.854 . . . . . . . . . . . 6779 1 887 . 1 1 85 85 GLN HG2 H 1 2.201 . . . . . . . . . . . 6779 1 888 . 1 1 85 85 GLN HG3 H 1 2.329 . . . . . . . . . . . 6779 1 889 . 1 1 85 85 GLN NE2 N 15 110.995 . . . . . . . . . . . 6779 1 890 . 1 1 85 85 GLN HE21 H 1 7.478 . . . . . . . . . . . 6779 1 891 . 1 1 85 85 GLN HE22 H 1 6.573 . . . . . . . . . . . 6779 1 892 . 1 1 86 86 ARG H H 1 7.931 . . . . . . . . . . . 6779 1 893 . 1 1 86 86 ARG N N 15 116.618 . . . . . . . . . . . 6779 1 894 . 1 1 86 86 ARG CA C 13 53.520 . . . . . . . . . . . 6779 1 895 . 1 1 86 86 ARG HA H 1 5.359 . . . . . . . . . . . 6779 1 896 . 1 1 86 86 ARG CB C 13 34.812 . . . . . . . . . . . 6779 1 897 . 1 1 86 86 ARG HB2 H 1 1.583 . . . . . . . . . . . 6779 1 898 . 1 1 86 86 ARG HB3 H 1 1.682 . . . . . . . . . . . 6779 1 899 . 1 1 86 86 ARG CG C 13 25.931 . . . . . . . . . . . 6779 1 900 . 1 1 86 86 ARG HG2 H 1 1.587 . . . . . . . . . . . 6779 1 901 . 1 1 86 86 ARG HG3 H 1 1.404 . . . . . . . . . . . 6779 1 902 . 1 1 86 86 ARG CD C 13 42.765 . . . . . . . . . . . 6779 1 903 . 1 1 86 86 ARG HD2 H 1 2.594 . . . . . . . . . . . 6779 1 904 . 1 1 86 86 ARG HD3 H 1 2.787 . . . . . . . . . . . 6779 1 905 . 1 1 86 86 ARG NE N 15 83.910 . . . . . . . . . . . 6779 1 906 . 1 1 86 86 ARG HE H 1 7.306 . . . . . . . . . . . 6779 1 907 . 1 1 87 87 LEU H H 1 9.173 . . . . . . . . . . . 6779 1 908 . 1 1 87 87 LEU N N 15 126.353 . . . . . . . . . . . 6779 1 909 . 1 1 87 87 LEU CA C 13 52.213 . . . . . . . . . . . 6779 1 910 . 1 1 87 87 LEU HA H 1 4.926 . . . . . . . . . . . 6779 1 911 . 1 1 87 87 LEU CB C 13 44.308 . . . . . . . . . . . 6779 1 912 . 1 1 87 87 LEU HB2 H 1 1.884 . . . . . . . . . . . 6779 1 913 . 1 1 87 87 LEU HB3 H 1 1.120 . . . . . . . . . . . 6779 1 914 . 1 1 87 87 LEU CG C 13 26.899 . . . . . . . . . . . 6779 1 915 . 1 1 87 87 LEU CD1 C 13 21.552 . . . . . . . . . . . 6779 1 916 . 1 1 87 87 LEU HD11 H 1 0.838 . . . . . . . . . . . 6779 1 917 . 1 1 87 87 LEU HD12 H 1 0.838 . . . . . . . . . . . 6779 1 918 . 1 1 87 87 LEU HD13 H 1 0.838 . . . . . . . . . . . 6779 1 919 . 1 1 87 87 LEU CD2 C 13 24.453 . . . . . . . . . . . 6779 1 920 . 1 1 87 87 LEU HD21 H 1 0.757 . . . . . . . . . . . 6779 1 921 . 1 1 87 87 LEU HD22 H 1 0.757 . . . . . . . . . . . 6779 1 922 . 1 1 87 87 LEU HD23 H 1 0.757 . . . . . . . . . . . 6779 1 923 . 1 1 87 87 LEU HG H 1 1.438 . . . . . . . . . . . 6779 1 924 . 1 1 88 88 ASN H H 1 9.202 . . . . . . . . . . . 6779 1 925 . 1 1 88 88 ASN N N 15 125.171 . . . . . . . . . . . 6779 1 926 . 1 1 88 88 ASN CA C 13 51.910 . . . . . . . . . . . 6779 1 927 . 1 1 88 88 ASN HA H 1 5.268 . . . . . . . . . . . 6779 1 928 . 1 1 88 88 ASN CB C 13 39.563 . . . . . . . . . . . 6779 1 929 . 1 1 88 88 ASN HB2 H 1 2.711 . . . . . . . . . . . 6779 1 930 . 1 1 88 88 ASN HB3 H 1 2.506 . . . . . . . . . . . 6779 1 931 . 1 1 88 88 ASN ND2 N 15 113.607 . . . . . . . . . . . 6779 1 932 . 1 1 88 88 ASN HD21 H 1 7.029 . . . . . . . . . . . 6779 1 933 . 1 1 88 88 ASN HD22 H 1 7.452 . . . . . . . . . . . 6779 1 934 . 1 1 89 89 LEU H H 1 9.486 . . . . . . . . . . . 6779 1 935 . 1 1 89 89 LEU N N 15 126.812 . . . . . . . . . . . 6779 1 936 . 1 1 89 89 LEU CA C 13 51.920 . . . . . . . . . . . 6779 1 937 . 1 1 89 89 LEU HA H 1 5.266 . . . . . . . . . . . 6779 1 938 . 1 1 89 89 LEU CB C 13 44.339 . . . . . . . . . . . 6779 1 939 . 1 1 89 89 LEU HB2 H 1 1.978 . . . . . . . . . . . 6779 1 940 . 1 1 89 89 LEU HB3 H 1 1.119 . . . . . . . . . . . 6779 1 941 . 1 1 89 89 LEU CG C 13 26.270 . . . . . . . . . . . 6779 1 942 . 1 1 89 89 LEU CD1 C 13 25.015 . . . . . . . . . . . 6779 1 943 . 1 1 89 89 LEU HD11 H 1 0.565 . . . . . . . . . . . 6779 1 944 . 1 1 89 89 LEU HD12 H 1 0.565 . . . . . . . . . . . 6779 1 945 . 1 1 89 89 LEU HD13 H 1 0.565 . . . . . . . . . . . 6779 1 946 . 1 1 89 89 LEU CD2 C 13 22.816 . . . . . . . . . . . 6779 1 947 . 1 1 89 89 LEU HD21 H 1 0.700 . . . . . . . . . . . 6779 1 948 . 1 1 89 89 LEU HD22 H 1 0.700 . . . . . . . . . . . 6779 1 949 . 1 1 89 89 LEU HD23 H 1 0.700 . . . . . . . . . . . 6779 1 950 . 1 1 89 89 LEU HG H 1 1.600 . . . . . . . . . . . 6779 1 951 . 1 1 90 90 THR H H 1 8.853 . . . . . . . . . . . 6779 1 952 . 1 1 90 90 THR N N 15 119.042 . . . . . . . . . . . 6779 1 953 . 1 1 90 90 THR CA C 13 60.445 . . . . . . . . . . . 6779 1 954 . 1 1 90 90 THR HA H 1 4.982 . . . . . . . . . . . 6779 1 955 . 1 1 90 90 THR CB C 13 69.628 . . . . . . . . . . . 6779 1 956 . 1 1 90 90 THR HB H 1 4.128 . . . . . . . . . . . 6779 1 957 . 1 1 90 90 THR CG2 C 13 20.260 . . . . . . . . . . . 6779 1 958 . 1 1 90 90 THR HG21 H 1 1.019 . . . . . . . . . . . 6779 1 959 . 1 1 90 90 THR HG22 H 1 1.019 . . . . . . . . . . . 6779 1 960 . 1 1 90 90 THR HG23 H 1 1.019 . . . . . . . . . . . 6779 1 961 . 1 1 91 91 ILE H H 1 9.228 . . . . . . . . . . . 6779 1 962 . 1 1 91 91 ILE N N 15 123.777 . . . . . . . . . . . 6779 1 963 . 1 1 91 91 ILE CA C 13 56.657 . . . . . . . . . . . 6779 1 964 . 1 1 91 91 ILE HA H 1 4.420 . . . . . . . . . . . 6779 1 965 . 1 1 91 91 ILE CB C 13 41.762 . . . . . . . . . . . 6779 1 966 . 1 1 91 91 ILE HB H 1 1.770 . . . . . . . . . . . 6779 1 967 . 1 1 91 91 ILE CG2 C 13 16.133 . . . . . . . . . . . 6779 1 968 . 1 1 91 91 ILE CG1 C 13 26.880 . . . . . . . . . . . 6779 1 969 . 1 1 91 91 ILE HG12 H 1 0.916 . . . . . . . . . . . 6779 1 970 . 1 1 91 91 ILE HG13 H 1 1.336 . . . . . . . . . . . 6779 1 971 . 1 1 91 91 ILE CD1 C 13 12.041 . . . . . . . . . . . 6779 1 972 . 1 1 91 91 ILE HD11 H 1 0.626 . . . . . . . . . . . 6779 1 973 . 1 1 91 91 ILE HD12 H 1 0.626 . . . . . . . . . . . 6779 1 974 . 1 1 91 91 ILE HD13 H 1 0.626 . . . . . . . . . . . 6779 1 975 . 1 1 91 91 ILE HG21 H 1 0.834 . . . . . . . . . . . 6779 1 976 . 1 1 91 91 ILE HG22 H 1 0.834 . . . . . . . . . . . 6779 1 977 . 1 1 91 91 ILE HG23 H 1 0.834 . . . . . . . . . . . 6779 1 978 . 1 1 92 92 PRO CA C 13 62.669 . . . . . . . . . . . 6779 1 979 . 1 1 92 92 PRO HA H 1 4.287 . . . . . . . . . . . 6779 1 980 . 1 1 92 92 PRO CB C 13 31.673 . . . . . . . . . . . 6779 1 981 . 1 1 92 92 PRO HB2 H 1 1.863 . . . . . . . . . . . 6779 1 982 . 1 1 92 92 PRO HB3 H 1 2.450 . . . . . . . . . . . 6779 1 983 . 1 1 92 92 PRO CG C 13 27.250 . . . . . . . . . . . 6779 1 984 . 1 1 92 92 PRO HG2 H 1 1.870 . . . . . . . . . . . 6779 1 985 . 1 1 92 92 PRO HG3 H 1 2.513 . . . . . . . . . . . 6779 1 986 . 1 1 92 92 PRO CD C 13 51.226 . . . . . . . . . . . 6779 1 987 . 1 1 92 92 PRO HD2 H 1 3.359 . . . . . . . . . . . 6779 1 988 . 1 1 92 92 PRO HD3 H 1 3.556 . . . . . . . . . . . 6779 1 989 . 1 1 93 93 GLN H H 1 8.473 . . . . . . . . . . . 6779 1 990 . 1 1 93 93 GLN N N 15 122.327 . . . . . . . . . . . 6779 1 991 . 1 1 93 93 GLN CA C 13 57.912 . . . . . . . . . . . 6779 1 992 . 1 1 93 93 GLN HA H 1 3.620 . . . . . . . . . . . 6779 1 993 . 1 1 93 93 GLN CB C 13 27.531 . . . . . . . . . . . 6779 1 994 . 1 1 93 93 GLN HB2 H 1 1.914 . . . . . . . . . . . 6779 1 995 . 1 1 93 93 GLN HB3 H 1 1.966 . . . . . . . . . . . 6779 1 996 . 1 1 93 93 GLN CG C 13 32.621 . . . . . . . . . . . 6779 1 997 . 1 1 93 93 GLN HG2 H 1 2.349 . . . . . . . . . . . 6779 1 998 . 1 1 93 93 GLN NE2 N 15 112.631 . . . . . . . . . . . 6779 1 999 . 1 1 93 93 GLN HE21 H 1 7.513 . . . . . . . . . . . 6779 1 1000 . 1 1 93 93 GLN HE22 H 1 6.825 . . . . . . . . . . . 6779 1 1001 . 1 1 94 94 ALA H H 1 8.306 . . . . . . . . . . . 6779 1 1002 . 1 1 94 94 ALA N N 15 119.344 . . . . . . . . . . . 6779 1 1003 . 1 1 94 94 ALA CA C 13 53.236 . . . . . . . . . . . 6779 1 1004 . 1 1 94 94 ALA HA H 1 3.836 . . . . . . . . . . . 6779 1 1005 . 1 1 94 94 ALA CB C 13 17.228 . . . . . . . . . . . 6779 1 1006 . 1 1 94 94 ALA HB1 H 1 0.797 . . . . . . . . . . . 6779 1 1007 . 1 1 94 94 ALA HB2 H 1 0.797 . . . . . . . . . . . 6779 1 1008 . 1 1 94 94 ALA HB3 H 1 0.797 . . . . . . . . . . . 6779 1 1009 . 1 1 95 95 PHE H H 1 7.545 . . . . . . . . . . . 6779 1 1010 . 1 1 95 95 PHE N N 15 113.874 . . . . . . . . . . . 6779 1 1011 . 1 1 95 95 PHE CA C 13 56.063 . . . . . . . . . . . 6779 1 1012 . 1 1 95 95 PHE HA H 1 4.771 . . . . . . . . . . . 6779 1 1013 . 1 1 95 95 PHE CB C 13 38.303 . . . . . . . . . . . 6779 1 1014 . 1 1 95 95 PHE HB2 H 1 2.298 . . . . . . . . . . . 6779 1 1015 . 1 1 95 95 PHE HB3 H 1 3.198 . . . . . . . . . . . 6779 1 1016 . 1 1 95 95 PHE CD1 C 13 131.332 . . . . . . . . . . . 6779 1 1017 . 1 1 95 95 PHE HD1 H 1 7.052 . . . . . . . . . . . 6779 1 1018 . 1 1 95 95 PHE CE1 C 13 131.175 . . . . . . . . . . . 6779 1 1019 . 1 1 95 95 PHE HE1 H 1 7.353 . . . . . . . . . . . 6779 1 1020 . 1 1 95 95 PHE CZ C 13 129.866 . . . . . . . . . . . 6779 1 1021 . 1 1 95 95 PHE HZ H 1 7.266 . . . . . . . . . . . 6779 1 1022 . 1 1 96 96 MET H H 1 7.522 . . . . . . . . . . . 6779 1 1023 . 1 1 96 96 MET N N 15 117.164 . . . . . . . . . . . 6779 1 1024 . 1 1 96 96 MET CA C 13 51.935 . . . . . . . . . . . 6779 1 1025 . 1 1 96 96 MET HA H 1 4.992 . . . . . . . . . . . 6779 1 1026 . 1 1 96 96 MET CB C 13 30.157 . . . . . . . . . . . 6779 1 1027 . 1 1 96 96 MET HB3 H 1 2.015 . . . . . . . . . . . 6779 1 1028 . 1 1 96 96 MET CG C 13 30.406 . . . . . . . . . . . 6779 1 1029 . 1 1 96 96 MET HG2 H 1 2.332 . . . . . . . . . . . 6779 1 1030 . 1 1 96 96 MET HG3 H 1 2.355 . . . . . . . . . . . 6779 1 1031 . 1 1 96 96 MET CE C 13 14.921 . . . . . . . . . . . 6779 1 1032 . 1 1 96 96 MET HE1 H 1 1.831 . . . . . . . . . . . 6779 1 1033 . 1 1 96 96 MET HE2 H 1 1.831 . . . . . . . . . . . 6779 1 1034 . 1 1 96 96 MET HE3 H 1 1.831 . . . . . . . . . . . 6779 1 1035 . 1 1 97 97 SER H H 1 8.785 . . . . . . . . . . . 6779 1 1036 . 1 1 97 97 SER N N 15 117.469 . . . . . . . . . . . 6779 1 1037 . 1 1 97 97 SER CA C 13 58.225 . . . . . . . . . . . 6779 1 1038 . 1 1 97 97 SER HA H 1 4.305 . . . . . . . . . . . 6779 1 1039 . 1 1 97 97 SER CB C 13 62.960 . . . . . . . . . . . 6779 1 1040 . 1 1 97 97 SER HB3 H 1 3.685 . . . . . . . . . . . 6779 1 1041 . 1 1 98 98 ASN CA C 13 52.840 . . . . . . . . . . . 6779 1 1042 . 1 1 98 98 ASN HA H 1 4.598 . . . . . . . . . . . 6779 1 1043 . 1 1 98 98 ASN CB C 13 37.974 . . . . . . . . . . . 6779 1 1044 . 1 1 98 98 ASN HB3 H 1 2.663 . . . . . . . . . . . 6779 1 1045 . 1 1 99 99 ARG H H 1 8.170 . . . . . . . . . . . 6779 1 1046 . 1 1 99 99 ARG N N 15 121.479 . . . . . . . . . . . 6779 1 1047 . 1 1 99 99 ARG CA C 13 55.052 . . . . . . . . . . . 6779 1 1048 . 1 1 99 99 ARG HA H 1 4.185 . . . . . . . . . . . 6779 1 1049 . 1 1 99 99 ARG CB C 13 30.068 . . . . . . . . . . . 6779 1 1050 . 1 1 99 99 ARG HB2 H 1 1.622 . . . . . . . . . . . 6779 1 1051 . 1 1 99 99 ARG HB3 H 1 1.739 . . . . . . . . . . . 6779 1 1052 . 1 1 99 99 ARG CG C 13 25.966 . . . . . . . . . . . 6779 1 1053 . 1 1 99 99 ARG HG2 H 1 1.487 . . . . . . . . . . . 6779 1 1054 . 1 1 99 99 ARG CD C 13 43.042 . . . . . . . . . . . 6779 1 1055 . 1 1 99 99 ARG HD2 H 1 2.908 . . . . . . . . . . . 6779 1 1056 . 1 1 100 100 ALA H H 1 8.253 . . . . . . . . . . . 6779 1 1057 . 1 1 100 100 ALA N N 15 125.934 . . . . . . . . . . . 6779 1 1058 . 1 1 100 100 ALA CA C 13 51.920 . . . . . . . . . . . 6779 1 1059 . 1 1 100 100 ALA HA H 1 4.180 . . . . . . . . . . . 6779 1 1060 . 1 1 100 100 ALA CB C 13 18.345 . . . . . . . . . . . 6779 1 1061 . 1 1 100 100 ALA HB1 H 1 1.268 . . . . . . . . . . . 6779 1 1062 . 1 1 100 100 ALA HB2 H 1 1.268 . . . . . . . . . . . 6779 1 1063 . 1 1 100 100 ALA HB3 H 1 1.268 . . . . . . . . . . . 6779 1 1064 . 1 1 101 101 ARG H H 1 7.822 . . . . . . . . . . . 6779 1 1065 . 1 1 101 101 ARG N N 15 125.459 . . . . . . . . . . . 6779 1 1066 . 1 1 101 101 ARG CA C 13 56.352 . . . . . . . . . . . 6779 1 1067 . 1 1 101 101 ARG HA H 1 4.019 . . . . . . . . . . . 6779 1 1068 . 1 1 101 101 ARG CB C 13 30.692 . . . . . . . . . . . 6779 1 1069 . 1 1 101 101 ARG HB2 H 1 1.583 . . . . . . . . . . . 6779 1 1070 . 1 1 101 101 ARG HB3 H 1 1.715 . . . . . . . . . . . 6779 1 1071 . 1 1 101 101 ARG CG C 13 26.266 . . . . . . . . . . . 6779 1 1072 . 1 1 101 101 ARG HG2 H 1 1.469 . . . . . . . . . . . 6779 1 1073 . 1 1 101 101 ARG CD C 13 42.718 . . . . . . . . . . . 6779 1 1074 . 1 1 101 101 ARG HD2 H 1 3.064 . . . . . . . . . . . 6779 1 stop_ save_