data_6224 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6224 _Entry.Title ; Assignment of the 1H, 15N and 13C resonances of SufA from E. coli ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2004-06-04 _Entry.Accession_date 2004-06-04 _Entry.Last_release_date 2004-12-16 _Entry.Original_release_date 2004-12-16 _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 Nicolas Duraffourg . . . 6224 2 Sandrine Ollagnier-de-Choudens . . . 6224 3 Marc Fontecave . . . 6224 4 Laurent Loiseau . . . 6224 5 Frederic Barras . . . 6224 6 Dominique Marion . . . 6224 7 Laurence Blanchard . . . 6224 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6224 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 566 6224 '13C chemical shifts' 433 6224 '15N chemical shifts' 120 6224 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 . . 2004-12-16 2004-06-04 original author . 6224 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6224 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Letter to the Editor: Assignment of the 1H, 15N and 13C resonances of SufA from Escherichia coli involved in Fe-S cluster biosynthesis ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 30 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 379 _Citation.Page_last 380 _Citation.Year 2004 _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 Nicolas Duraffourg . . . 6224 1 2 Sandrine Ollagnier-de-Choudens . . . 6224 1 3 Marc Fontecave . . . 6224 1 4 Laurent Loiseau . . . 6224 1 5 Frederic Barras . . . 6224 1 6 Dominique Marion . . . 6224 1 7 Laurence Blanchard . . . 6224 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'heteronuclear NMR' 6224 1 'Fe-S cluster biosynthesis' 6224 1 'scaffold protein' 6224 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_SufA _Assembly.Sf_category assembly _Assembly.Sf_framecode system_SufA _Assembly.Entry_ID 6224 _Assembly.ID 1 _Assembly.Name SufA _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 6224 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 SufA 1 $SufA . . . reduced . . . . . 6224 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID SufA system 6224 1 SufA abbreviation 6224 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'scaffold protein' 6224 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_SufA _Entity.Sf_category entity _Entity.Sf_framecode SufA _Entity.Entry_ID 6224 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name SufA _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 ; MDMHSGTFNPQDFAWQGLTL TPAAAIHIRELVAKQPGMVG VRLGVKQTGCAGFGYVLDSV SEPDKDDLLFEHDGAKLFVP LQAMPFIDGTEVDFVREGLN QIFKFHNPKAQNECGCGESF GVLEHHHHHH ; _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 130 _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 14480 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2D2A . "Crystal Structure Of Escherichia Coli Sufa Involved In Biosynthesis Of Iron-Sulfur Clusters" . . . . . 93.85 145 100.00 100.00 2.65e-83 . . . . 6224 1 2 no DBJ BAA15453 . "Fe-S cluster assembly protein [Escherichia coli str. K-12 substr. W3110]" . . . . . 93.85 122 100.00 100.00 5.70e-84 . . . . 6224 1 3 no DBJ BAB35814 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.85 122 99.18 100.00 1.18e-83 . . . . 6224 1 4 no DBJ BAG77331 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 93.85 122 100.00 100.00 5.70e-84 . . . . 6224 1 5 no DBJ BAI25659 . "Fe-S cluster assembly protein SufA [Escherichia coli O26:H11 str. 11368]" . . . . . 93.85 122 100.00 100.00 5.70e-84 . . . . 6224 1 6 no DBJ BAI30634 . "Fe-S cluster assembly protein SufA [Escherichia coli O103:H2 str. 12009]" . . . . . 93.85 122 100.00 100.00 5.70e-84 . . . . 6224 1 7 no EMBL CAP76181 . "Protein sufA [Escherichia coli LF82]" . . . . . 93.85 122 98.36 100.00 1.47e-83 . . . . 6224 1 8 no EMBL CAQ98593 . "Fe-S cluster assembly protein [Escherichia coli IAI1]" . . . . . 93.85 122 100.00 100.00 5.70e-84 . . . . 6224 1 9 no EMBL CAR03043 . "Fe-S cluster assembly protein [Escherichia coli S88]" . . . . . 93.85 122 99.18 100.00 9.11e-84 . . . . 6224 1 10 no EMBL CAR08076 . "Fe-S cluster assembly protein [Escherichia coli ED1a]" . . . . . 93.85 122 98.36 100.00 1.47e-83 . . . . 6224 1 11 no EMBL CAR13169 . "Fe-S cluster assembly protein [Escherichia coli UMN026]" . . . . . 93.85 122 99.18 100.00 1.18e-83 . . . . 6224 1 12 no GB AAC74754 . "Fe-S cluster assembly protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.85 122 100.00 100.00 5.70e-84 . . . . 6224 1 13 no GB AAG56671 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.85 122 99.18 100.00 1.18e-83 . . . . 6224 1 14 no GB AAN43290 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 93.85 122 98.36 99.18 1.59e-82 . . . . 6224 1 15 no GB AAN80539 . "SufA protein [Escherichia coli CFT073]" . . . . . 93.85 122 99.18 100.00 9.11e-84 . . . . 6224 1 16 no GB AAP17178 . "hypothetical protein S1846 [Shigella flexneri 2a str. 2457T]" . . . . . 93.85 122 98.36 99.18 1.59e-82 . . . . 6224 1 17 no REF NP_288118 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 93.85 122 99.18 100.00 1.18e-83 . . . . 6224 1 18 no REF NP_310418 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 93.85 122 99.18 100.00 1.18e-83 . . . . 6224 1 19 no REF NP_416199 . "Fe-S cluster assembly protein [Escherichia coli str. K-12 substr. MG1655]" . . . . . 93.85 122 100.00 100.00 5.70e-84 . . . . 6224 1 20 no REF NP_707583 . "iron-sulfur cluster assembly scaffold protein [Shigella flexneri 2a str. 301]" . . . . . 93.85 122 98.36 99.18 1.59e-82 . . . . 6224 1 21 no REF NP_753974 . "iron-sulfur cluster assembly scaffold protein [Escherichia coli CFT073]" . . . . . 93.85 122 99.18 100.00 9.11e-84 . . . . 6224 1 22 no SP P77667 . "RecName: Full=Protein SufA [Escherichia coli K-12]" . . . . . 93.85 122 100.00 100.00 5.70e-84 . . . . 6224 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID SufA common 6224 1 SufA abbreviation 6224 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 6224 1 2 . ASP . 6224 1 3 . MET . 6224 1 4 . HIS . 6224 1 5 . SER . 6224 1 6 . GLY . 6224 1 7 . THR . 6224 1 8 . PHE . 6224 1 9 . ASN . 6224 1 10 . PRO . 6224 1 11 . GLN . 6224 1 12 . ASP . 6224 1 13 . PHE . 6224 1 14 . ALA . 6224 1 15 . TRP . 6224 1 16 . GLN . 6224 1 17 . GLY . 6224 1 18 . LEU . 6224 1 19 . THR . 6224 1 20 . LEU . 6224 1 21 . THR . 6224 1 22 . PRO . 6224 1 23 . ALA . 6224 1 24 . ALA . 6224 1 25 . ALA . 6224 1 26 . ILE . 6224 1 27 . HIS . 6224 1 28 . ILE . 6224 1 29 . ARG . 6224 1 30 . GLU . 6224 1 31 . LEU . 6224 1 32 . VAL . 6224 1 33 . ALA . 6224 1 34 . LYS . 6224 1 35 . GLN . 6224 1 36 . PRO . 6224 1 37 . GLY . 6224 1 38 . MET . 6224 1 39 . VAL . 6224 1 40 . GLY . 6224 1 41 . VAL . 6224 1 42 . ARG . 6224 1 43 . LEU . 6224 1 44 . GLY . 6224 1 45 . VAL . 6224 1 46 . LYS . 6224 1 47 . GLN . 6224 1 48 . THR . 6224 1 49 . GLY . 6224 1 50 . CYS . 6224 1 51 . ALA . 6224 1 52 . GLY . 6224 1 53 . PHE . 6224 1 54 . GLY . 6224 1 55 . TYR . 6224 1 56 . VAL . 6224 1 57 . LEU . 6224 1 58 . ASP . 6224 1 59 . SER . 6224 1 60 . VAL . 6224 1 61 . SER . 6224 1 62 . GLU . 6224 1 63 . PRO . 6224 1 64 . ASP . 6224 1 65 . LYS . 6224 1 66 . ASP . 6224 1 67 . ASP . 6224 1 68 . LEU . 6224 1 69 . LEU . 6224 1 70 . PHE . 6224 1 71 . GLU . 6224 1 72 . HIS . 6224 1 73 . ASP . 6224 1 74 . GLY . 6224 1 75 . ALA . 6224 1 76 . LYS . 6224 1 77 . LEU . 6224 1 78 . PHE . 6224 1 79 . VAL . 6224 1 80 . PRO . 6224 1 81 . LEU . 6224 1 82 . GLN . 6224 1 83 . ALA . 6224 1 84 . MET . 6224 1 85 . PRO . 6224 1 86 . PHE . 6224 1 87 . ILE . 6224 1 88 . ASP . 6224 1 89 . GLY . 6224 1 90 . THR . 6224 1 91 . GLU . 6224 1 92 . VAL . 6224 1 93 . ASP . 6224 1 94 . PHE . 6224 1 95 . VAL . 6224 1 96 . ARG . 6224 1 97 . GLU . 6224 1 98 . GLY . 6224 1 99 . LEU . 6224 1 100 . ASN . 6224 1 101 . GLN . 6224 1 102 . ILE . 6224 1 103 . PHE . 6224 1 104 . LYS . 6224 1 105 . PHE . 6224 1 106 . HIS . 6224 1 107 . ASN . 6224 1 108 . PRO . 6224 1 109 . LYS . 6224 1 110 . ALA . 6224 1 111 . GLN . 6224 1 112 . ASN . 6224 1 113 . GLU . 6224 1 114 . CYS . 6224 1 115 . GLY . 6224 1 116 . CYS . 6224 1 117 . GLY . 6224 1 118 . GLU . 6224 1 119 . SER . 6224 1 120 . PHE . 6224 1 121 . GLY . 6224 1 122 . VAL . 6224 1 123 . LEU . 6224 1 124 . GLU . 6224 1 125 . HIS . 6224 1 126 . HIS . 6224 1 127 . HIS . 6224 1 128 . HIS . 6224 1 129 . HIS . 6224 1 130 . HIS . 6224 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 6224 1 . ASP 2 2 6224 1 . MET 3 3 6224 1 . HIS 4 4 6224 1 . SER 5 5 6224 1 . GLY 6 6 6224 1 . THR 7 7 6224 1 . PHE 8 8 6224 1 . ASN 9 9 6224 1 . PRO 10 10 6224 1 . GLN 11 11 6224 1 . ASP 12 12 6224 1 . PHE 13 13 6224 1 . ALA 14 14 6224 1 . TRP 15 15 6224 1 . GLN 16 16 6224 1 . GLY 17 17 6224 1 . LEU 18 18 6224 1 . THR 19 19 6224 1 . LEU 20 20 6224 1 . THR 21 21 6224 1 . PRO 22 22 6224 1 . ALA 23 23 6224 1 . ALA 24 24 6224 1 . ALA 25 25 6224 1 . ILE 26 26 6224 1 . HIS 27 27 6224 1 . ILE 28 28 6224 1 . ARG 29 29 6224 1 . GLU 30 30 6224 1 . LEU 31 31 6224 1 . VAL 32 32 6224 1 . ALA 33 33 6224 1 . LYS 34 34 6224 1 . GLN 35 35 6224 1 . PRO 36 36 6224 1 . GLY 37 37 6224 1 . MET 38 38 6224 1 . VAL 39 39 6224 1 . GLY 40 40 6224 1 . VAL 41 41 6224 1 . ARG 42 42 6224 1 . LEU 43 43 6224 1 . GLY 44 44 6224 1 . VAL 45 45 6224 1 . LYS 46 46 6224 1 . GLN 47 47 6224 1 . THR 48 48 6224 1 . GLY 49 49 6224 1 . CYS 50 50 6224 1 . ALA 51 51 6224 1 . GLY 52 52 6224 1 . PHE 53 53 6224 1 . GLY 54 54 6224 1 . TYR 55 55 6224 1 . VAL 56 56 6224 1 . LEU 57 57 6224 1 . ASP 58 58 6224 1 . SER 59 59 6224 1 . VAL 60 60 6224 1 . SER 61 61 6224 1 . GLU 62 62 6224 1 . PRO 63 63 6224 1 . ASP 64 64 6224 1 . LYS 65 65 6224 1 . ASP 66 66 6224 1 . ASP 67 67 6224 1 . LEU 68 68 6224 1 . LEU 69 69 6224 1 . PHE 70 70 6224 1 . GLU 71 71 6224 1 . HIS 72 72 6224 1 . ASP 73 73 6224 1 . GLY 74 74 6224 1 . ALA 75 75 6224 1 . LYS 76 76 6224 1 . LEU 77 77 6224 1 . PHE 78 78 6224 1 . VAL 79 79 6224 1 . PRO 80 80 6224 1 . LEU 81 81 6224 1 . GLN 82 82 6224 1 . ALA 83 83 6224 1 . MET 84 84 6224 1 . PRO 85 85 6224 1 . PHE 86 86 6224 1 . ILE 87 87 6224 1 . ASP 88 88 6224 1 . GLY 89 89 6224 1 . THR 90 90 6224 1 . GLU 91 91 6224 1 . VAL 92 92 6224 1 . ASP 93 93 6224 1 . PHE 94 94 6224 1 . VAL 95 95 6224 1 . ARG 96 96 6224 1 . GLU 97 97 6224 1 . GLY 98 98 6224 1 . LEU 99 99 6224 1 . ASN 100 100 6224 1 . GLN 101 101 6224 1 . ILE 102 102 6224 1 . PHE 103 103 6224 1 . LYS 104 104 6224 1 . PHE 105 105 6224 1 . HIS 106 106 6224 1 . ASN 107 107 6224 1 . PRO 108 108 6224 1 . LYS 109 109 6224 1 . ALA 110 110 6224 1 . GLN 111 111 6224 1 . ASN 112 112 6224 1 . GLU 113 113 6224 1 . CYS 114 114 6224 1 . GLY 115 115 6224 1 . CYS 116 116 6224 1 . GLY 117 117 6224 1 . GLU 118 118 6224 1 . SER 119 119 6224 1 . PHE 120 120 6224 1 . GLY 121 121 6224 1 . VAL 122 122 6224 1 . LEU 123 123 6224 1 . GLU 124 124 6224 1 . HIS 125 125 6224 1 . HIS 126 126 6224 1 . HIS 127 127 6224 1 . HIS 128 128 6224 1 . HIS 129 129 6224 1 . HIS 130 130 6224 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 6224 _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 $SufA . 562 . . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 6224 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 6224 _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 $SufA . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6224 _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 SufA '[U-15N; U-13C]' . . 1 $SufA . . 1.0 . . mM . . . . 6224 1 stop_ save_ ####################### # Sample conditions # ####################### save_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode cond_1 _Sample_condition_list.Entry_ID 6224 _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 0.1 n/a 6224 1 temperature 298 0.1 K 6224 1 stop_ save_ ############################ # Computer software used # ############################ save_FELIX _Software.Sf_category software _Software.Sf_framecode FELIX _Software.Entry_ID 6224 _Software.ID 1 _Software.Name FELIX _Software.Version 2000.1 _Software.Details . 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 6224 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 6224 _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 Varian INOVA . 600 . . . 6224 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 6224 _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 '2D 1H-15N HSQC' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 2 '3D HNCA' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 3 '3D CBCA(CO)NH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 4 '3D CBCANH' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 5 '3D HNCACB' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 6 '3D HNCO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 7 '3D HN(CA)CO' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 8 '3D HC(C)H-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 9 '3D (H)CC(CO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 1 10 '3D H(CC)(CO)NH-TOCSY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6224 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 6224 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '2D 1H-15N HSQC' _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 6224 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name '3D HNCA' _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 6224 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name '3D CBCA(CO)NH' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 6224 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D CBCANH' _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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 6224 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name '3D HNCACB' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 6224 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name '3D HNCO' _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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 6224 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name '3D HN(CA)CO' _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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 6224 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name '3D HC(C)H-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_9 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_9 _NMR_spec_expt.Entry_ID 6224 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name '3D (H)CC(CO)NH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_10 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_10 _NMR_spec_expt.Entry_ID 6224 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name '3D H(CC)(CO)NH-TOCSY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 6224 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6224 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6224 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 6224 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_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 6224 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 6224 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.35 0.05 . 1 . . . . . . . . 6224 1 2 . 1 1 1 1 MET HB2 H 1 2.49 0.05 . 2 . . . . . . . . 6224 1 3 . 1 1 1 1 MET HB3 H 1 2.52 0.05 . 2 . . . . . . . . 6224 1 4 . 1 1 1 1 MET HG2 H 1 2.77 0.05 . 2 . . . . . . . . 6224 1 5 . 1 1 1 1 MET HG3 H 1 2.85 0.05 . 2 . . . . . . . . 6224 1 6 . 1 1 1 1 MET CA C 13 53.8 0.2 . 1 . . . . . . . . 6224 1 7 . 1 1 1 1 MET CB C 13 33.1 0.2 . 1 . . . . . . . . 6224 1 8 . 1 1 2 2 ASP H H 1 8.41 0.05 . 1 . . . . . . . . 6224 1 9 . 1 1 2 2 ASP HA H 1 4.66 0.05 . 1 . . . . . . . . 6224 1 10 . 1 1 2 2 ASP HB2 H 1 2.57 0.05 . 2 . . . . . . . . 6224 1 11 . 1 1 2 2 ASP HB3 H 1 2.68 0.05 . 2 . . . . . . . . 6224 1 12 . 1 1 2 2 ASP C C 13 175.9 0.2 . 1 . . . . . . . . 6224 1 13 . 1 1 2 2 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 6224 1 14 . 1 1 2 2 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 6224 1 15 . 1 1 2 2 ASP N N 15 125.4 0.2 . 1 . . . . . . . . 6224 1 16 . 1 1 3 3 MET H H 1 7.81 0.02 . 1 . . . . . . . . 6224 1 17 . 1 1 3 3 MET HA H 1 4.37 0.05 . 1 . . . . . . . . 6224 1 18 . 1 1 3 3 MET HB2 H 1 1.87 0.05 . 2 . . . . . . . . 6224 1 19 . 1 1 3 3 MET HB3 H 1 2.00 0.05 . 2 . . . . . . . . 6224 1 20 . 1 1 3 3 MET HG2 H 1 2.38 0.05 . 2 . . . . . . . . 6224 1 21 . 1 1 3 3 MET HG3 H 1 2.45 0.05 . 2 . . . . . . . . 6224 1 22 . 1 1 3 3 MET C C 13 176.1 0.2 . 1 . . . . . . . . 6224 1 23 . 1 1 3 3 MET CA C 13 55.6 0.2 . 1 . . . . . . . . 6224 1 24 . 1 1 3 3 MET CB C 13 32.5 0.2 . 1 . . . . . . . . 6224 1 25 . 1 1 3 3 MET N N 15 112.00 0.2 . 1 . . . . . . . . 6224 1 26 . 1 1 4 4 HIS H H 1 8.44 0.02 . 1 . . . . . . . . 6224 1 27 . 1 1 4 4 HIS HA H 1 4.34 0.05 . 1 . . . . . . . . 6224 1 28 . 1 1 4 4 HIS HB2 H 1 3.12 0.05 . 2 . . . . . . . . 6224 1 29 . 1 1 4 4 HIS HB3 H 1 3.20 0.05 . 2 . . . . . . . . 6224 1 30 . 1 1 4 4 HIS C C 13 175.2 0.2 . 1 . . . . . . . . 6224 1 31 . 1 1 4 4 HIS CA C 13 56.1 0.2 . 1 . . . . . . . . 6224 1 32 . 1 1 4 4 HIS CB C 13 30.1 0.2 . 1 . . . . . . . . 6224 1 33 . 1 1 4 4 HIS N N 15 124.1 0.2 . 1 . . . . . . . . 6224 1 34 . 1 1 5 5 SER H H 1 8.24 0.02 . 1 . . . . . . . . 6224 1 35 . 1 1 5 5 SER HA H 1 4.69 0.05 . 1 . . . . . . . . 6224 1 36 . 1 1 5 5 SER HB2 H 1 3.85 0.05 . 2 . . . . . . . . 6224 1 37 . 1 1 5 5 SER HB3 H 1 3.89 0.05 . 2 . . . . . . . . 6224 1 38 . 1 1 5 5 SER C C 13 175.0 0.2 . 1 . . . . . . . . 6224 1 39 . 1 1 5 5 SER CA C 13 58.7 0.2 . 1 . . . . . . . . 6224 1 40 . 1 1 5 5 SER CB C 13 63.8 0.2 . 1 . . . . . . . . 6224 1 41 . 1 1 5 5 SER N N 15 121.1 0.2 . 1 . . . . . . . . 6224 1 42 . 1 1 6 6 GLY H H 1 8.45 0.02 . 1 . . . . . . . . 6224 1 43 . 1 1 6 6 GLY HA2 H 1 3.99 0.05 . 1 . . . . . . . . 6224 1 44 . 1 1 6 6 GLY HA3 H 1 3.99 0.05 . 1 . . . . . . . . 6224 1 45 . 1 1 6 6 GLY C C 13 174.1 0.2 . 1 . . . . . . . . 6224 1 46 . 1 1 6 6 GLY CA C 13 45.41 0.2 . 1 . . . . . . . . 6224 1 47 . 1 1 6 6 GLY N N 15 115.28 0.2 . 1 . . . . . . . . 6224 1 48 . 1 1 7 7 THR H H 1 7.94 0.02 . 1 . . . . . . . . 6224 1 49 . 1 1 7 7 THR HA H 1 4.30 0.05 . 1 . . . . . . . . 6224 1 50 . 1 1 7 7 THR HB H 1 4.13 0.05 . 1 . . . . . . . . 6224 1 51 . 1 1 7 7 THR HG21 H 1 1.11 0.05 . 1 . . . . . . . . 6224 1 52 . 1 1 7 7 THR HG22 H 1 1.11 0.05 . 1 . . . . . . . . 6224 1 53 . 1 1 7 7 THR HG23 H 1 1.11 0.05 . 1 . . . . . . . . 6224 1 54 . 1 1 7 7 THR C C 13 174.0 0.2 . 1 . . . . . . . . 6224 1 55 . 1 1 7 7 THR CA C 13 61.8 0.2 . 1 . . . . . . . . 6224 1 56 . 1 1 7 7 THR CB C 13 69.9 0.2 . 1 . . . . . . . . 6224 1 57 . 1 1 7 7 THR CG2 C 13 19.1 0.2 . 1 . . . . . . . . 6224 1 58 . 1 1 7 7 THR N N 15 118.0 0.2 . 1 . . . . . . . . 6224 1 59 . 1 1 8 8 PHE H H 1 8.21 0.02 . 1 . . . . . . . . 6224 1 60 . 1 1 8 8 PHE HA H 1 4.59 0.05 . 1 . . . . . . . . 6224 1 61 . 1 1 8 8 PHE HB2 H 1 3.00 0.05 . 1 . . . . . . . . 6224 1 62 . 1 1 8 8 PHE HB3 H 1 3.00 0.05 . 1 . . . . . . . . 6224 1 63 . 1 1 8 8 PHE C C 13 174.4 0.2 . 1 . . . . . . . . 6224 1 64 . 1 1 8 8 PHE CA C 13 57.5 0.2 . 1 . . . . . . . . 6224 1 65 . 1 1 8 8 PHE CB C 13 39.8 0.2 . 1 . . . . . . . . 6224 1 66 . 1 1 8 8 PHE N N 15 127.3 0.2 . 1 . . . . . . . . 6224 1 67 . 1 1 9 9 ASN H H 1 8.39 0.02 . 1 . . . . . . . . 6224 1 68 . 1 1 9 9 ASN HA H 1 4.93 0.05 . 1 . . . . . . . . 6224 1 69 . 1 1 9 9 ASN HB2 H 1 2.59 0.05 . 2 . . . . . . . . 6224 1 70 . 1 1 9 9 ASN HB3 H 1 2.81 0.05 . 2 . . . . . . . . 6224 1 71 . 1 1 9 9 ASN C C 13 173.4 0.2 . 1 . . . . . . . . 6224 1 72 . 1 1 9 9 ASN CA C 13 50.4 0.2 . 1 . . . . . . . . 6224 1 73 . 1 1 9 9 ASN N N 15 127.6 0.2 . 1 . . . . . . . . 6224 1 74 . 1 1 9 9 ASN HD21 H 1 7.53 0.05 . 2 . . . . . . . . 6224 1 75 . 1 1 9 9 ASN HD22 H 1 6.87 0.05 . 2 . . . . . . . . 6224 1 76 . 1 1 9 9 ASN ND2 N 15 117.3 0.2 . 1 . . . . . . . . 6224 1 77 . 1 1 10 10 PRO HA H 1 4.22 0.05 . 1 . . . . . . . . 6224 1 78 . 1 1 10 10 PRO HB2 H 1 1.98 0.05 . 2 . . . . . . . . 6224 1 79 . 1 1 10 10 PRO HB3 H 1 2.30 0.05 . 2 . . . . . . . . 6224 1 80 . 1 1 10 10 PRO HG2 H 1 1.99 0.05 . 1 . . . . . . . . 6224 1 81 . 1 1 10 10 PRO HG3 H 1 1.99 0.05 . 1 . . . . . . . . 6224 1 82 . 1 1 10 10 PRO HD2 H 1 3.57 0.05 . 1 . . . . . . . . 6224 1 83 . 1 1 10 10 PRO HD3 H 1 3.72 0.05 . 1 . . . . . . . . 6224 1 84 . 1 1 10 10 PRO C C 13 177.2 0.2 . 1 . . . . . . . . 6224 1 85 . 1 1 10 10 PRO CA C 13 63.9 0.2 . 1 . . . . . . . . 6224 1 86 . 1 1 10 10 PRO CB C 13 32.1 0.2 . 1 . . . . . . . . 6224 1 87 . 1 1 10 10 PRO CG C 13 27.2 0.2 . 1 . . . . . . . . 6224 1 88 . 1 1 10 10 PRO CD C 13 50.8 0.2 . 1 . . . . . . . . 6224 1 89 . 1 1 11 11 GLN H H 1 8.21 0.02 . 1 . . . . . . . . 6224 1 90 . 1 1 11 11 GLN HA H 1 4.17 0.05 . 1 . . . . . . . . 6224 1 91 . 1 1 11 11 GLN HB2 H 1 1.92 0.05 . 2 . . . . . . . . 6224 1 92 . 1 1 11 11 GLN HB3 H 1 2.01 0.05 . 2 . . . . . . . . 6224 1 93 . 1 1 11 11 GLN HG2 H 1 2.31 0.05 . 1 . . . . . . . . 6224 1 94 . 1 1 11 11 GLN HG3 H 1 2.31 0.05 . 1 . . . . . . . . 6224 1 95 . 1 1 11 11 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 6224 1 96 . 1 1 11 11 GLN CA C 13 56.6 0.2 . 1 . . . . . . . . 6224 1 97 . 1 1 11 11 GLN CB C 13 28.9 0.2 . 1 . . . . . . . . 6224 1 98 . 1 1 11 11 GLN CG C 13 31.6 0.2 . 1 . . . . . . . . 6224 1 99 . 1 1 11 11 GLN N N 15 122.0 0.2 . . . . . . . . . . 6224 1 100 . 1 1 12 12 ASP H H 1 7.90 0.02 . 1 . . . . . . . . 6224 1 101 . 1 1 12 12 ASP HA H 1 4.66 0.05 . 1 . . . . . . . . 6224 1 102 . 1 1 12 12 ASP HB2 H 1 2.57 0.05 . 2 . . . . . . . . 6224 1 103 . 1 1 12 12 ASP HB3 H 1 2.68 0.05 . 2 . . . . . . . . 6224 1 104 . 1 1 12 12 ASP C C 13 176.0 0.2 . 1 . . . . . . . . 6224 1 105 . 1 1 12 12 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 6224 1 106 . 1 1 12 12 ASP CB C 13 41.4 0.2 . 1 . . . . . . . . 6224 1 107 . 1 1 12 12 ASP N N 15 125.4 0.2 . 1 . . . . . . . . 6224 1 108 . 1 1 13 13 PHE H H 1 7.58 0.02 . 1 . . . . . . . . 6224 1 109 . 1 1 13 13 PHE HA H 1 4.23 0.05 . 1 . . . . . . . . 6224 1 110 . 1 1 13 13 PHE HB2 H 1 2.46 0.05 . 2 . . . . . . . . 6224 1 111 . 1 1 13 13 PHE HB3 H 1 2.62 0.05 . 2 . . . . . . . . 6224 1 112 . 1 1 13 13 PHE C C 13 174.3 0.2 . 1 . . . . . . . . 6224 1 113 . 1 1 13 13 PHE CA C 13 55.1 0.2 . 1 . . . . . . . . 6224 1 114 . 1 1 13 13 PHE CB C 13 37.7 0.2 . 1 . . . . . . . . 6224 1 115 . 1 1 13 13 PHE N N 15 124.4 0.2 . 1 . . . . . . . . 6224 1 116 . 1 1 14 14 ALA H H 1 7.56 0.02 . 1 . . . . . . . . 6224 1 117 . 1 1 14 14 ALA HA H 1 4.20 0.05 . 1 . . . . . . . . 6224 1 118 . 1 1 14 14 ALA HB1 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 119 . 1 1 14 14 ALA HB2 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 120 . 1 1 14 14 ALA HB3 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 121 . 1 1 14 14 ALA C C 13 176.1 0.2 . 1 . . . . . . . . 6224 1 122 . 1 1 14 14 ALA CA C 13 51.1 0.2 . 1 . . . . . . . . 6224 1 123 . 1 1 14 14 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 6224 1 124 . 1 1 14 14 ALA N N 15 130.8 0.2 . 1 . . . . . . . . 6224 1 125 . 1 1 15 15 TRP H H 1 7.41 0.05 . 1 . . . . . . . . 6224 1 126 . 1 1 15 15 TRP C C 13 177.2 0.2 . 1 . . . . . . . . 6224 1 127 . 1 1 15 15 TRP CA C 13 55.6 0.2 . 1 . . . . . . . . 6224 1 128 . 1 1 15 15 TRP CB C 13 30.2 0.2 . 1 . . . . . . . . 6224 1 129 . 1 1 15 15 TRP N N 15 125.7 0.2 . 1 . . . . . . . . 6224 1 130 . 1 1 16 16 GLN HA H 1 4.14 0.05 . 1 . . . . . . . . 6224 1 131 . 1 1 16 16 GLN HB2 H 1 2.09 0.05 . 1 . . . . . . . . 6224 1 132 . 1 1 16 16 GLN HB3 H 1 2.09 0.05 . 1 . . . . . . . . 6224 1 133 . 1 1 16 16 GLN HG2 H 1 2.40 0.05 . 2 . . . . . . . . 6224 1 134 . 1 1 16 16 GLN HG3 H 1 2.47 0.05 . 2 . . . . . . . . 6224 1 135 . 1 1 16 16 GLN C C 13 179.2 0.2 . 1 . . . . . . . . 6224 1 136 . 1 1 16 16 GLN CA C 13 56.9 0.2 . 1 . . . . . . . . 6224 1 137 . 1 1 16 16 GLN CB C 13 29.5 0.2 . 1 . . . . . . . . 6224 1 138 . 1 1 16 16 GLN CG C 13 34.0 0.2 . 1 . . . . . . . . 6224 1 139 . 1 1 16 16 GLN HE21 H 1 7.55 0.05 . 2 . . . . . . . . 6224 1 140 . 1 1 16 16 GLN HE22 H 1 6.78 0.05 . 2 . . . . . . . . 6224 1 141 . 1 1 16 16 GLN NE2 N 15 116.5 0.2 . 1 . . . . . . . . 6224 1 142 . 1 1 17 17 GLY H H 1 10.65 0.02 . 1 . . . . . . . . 6224 1 143 . 1 1 17 17 GLY C C 13 172.7 0.2 . 1 . . . . . . . . 6224 1 144 . 1 1 17 17 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 6224 1 145 . 1 1 17 17 GLY N N 15 113.8 0.2 . 1 . . . . . . . . 6224 1 146 . 1 1 18 18 LEU HA H 1 4.86 0.05 . 1 . . . . . . . . 6224 1 147 . 1 1 18 18 LEU HB2 H 1 1.31 0.05 . 2 . . . . . . . . 6224 1 148 . 1 1 18 18 LEU HB3 H 1 1.80 0.05 . 2 . . . . . . . . 6224 1 149 . 1 1 18 18 LEU HG H 1 1.01 0.05 . 1 . . . . . . . . 6224 1 150 . 1 1 18 18 LEU HD11 H 1 0.61 0.05 . 1 . . . . . . . . 6224 1 151 . 1 1 18 18 LEU HD12 H 1 0.61 0.05 . 1 . . . . . . . . 6224 1 152 . 1 1 18 18 LEU HD13 H 1 0.61 0.05 . 1 . . . . . . . . 6224 1 153 . 1 1 18 18 LEU HD21 H 1 0.61 0.05 . 1 . . . . . . . . 6224 1 154 . 1 1 18 18 LEU HD22 H 1 0.61 0.05 . 1 . . . . . . . . 6224 1 155 . 1 1 18 18 LEU HD23 H 1 0.61 0.05 . 1 . . . . . . . . 6224 1 156 . 1 1 18 18 LEU CA C 13 54.9 0.2 . 1 . . . . . . . . 6224 1 157 . 1 1 18 18 LEU CB C 13 44.9 0.2 . 1 . . . . . . . . 6224 1 158 . 1 1 19 19 THR H H 1 8.11 0.02 . 1 . . . . . . . . 6224 1 159 . 1 1 19 19 THR HA H 1 4.54 0.05 . 1 . . . . . . . . 6224 1 160 . 1 1 19 19 THR HB H 1 4.01 0.05 . 1 . . . . . . . . 6224 1 161 . 1 1 19 19 THR HG21 H 1 1.01 0.05 . 1 . . . . . . . . 6224 1 162 . 1 1 19 19 THR HG22 H 1 1.01 0.05 . 1 . . . . . . . . 6224 1 163 . 1 1 19 19 THR HG23 H 1 1.01 0.05 . 1 . . . . . . . . 6224 1 164 . 1 1 19 19 THR C C 13 172.7 0.2 . 1 . . . . . . . . 6224 1 165 . 1 1 19 19 THR CA C 13 59.4 0.2 . 1 . . . . . . . . 6224 1 166 . 1 1 19 19 THR CB C 13 72.0 0.2 . 1 . . . . . . . . 6224 1 167 . 1 1 19 19 THR CG2 C 13 22.3 0.2 . 1 . . . . . . . . 6224 1 168 . 1 1 19 19 THR N N 15 113.4 0.2 . 1 . . . . . . . . 6224 1 169 . 1 1 20 20 LEU H H 1 7.92 0.02 . 1 . . . . . . . . 6224 1 170 . 1 1 20 20 LEU HA H 1 5.15 0.05 . 1 . . . . . . . . 6224 1 171 . 1 1 20 20 LEU HB2 H 1 1.41 0.05 . 2 . . . . . . . . 6224 1 172 . 1 1 20 20 LEU HB3 H 1 1.48 0.05 . 2 . . . . . . . . 6224 1 173 . 1 1 20 20 LEU HG H 1 1.11 0.05 . 1 . . . . . . . . 6224 1 174 . 1 1 20 20 LEU HD11 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 175 . 1 1 20 20 LEU HD12 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 176 . 1 1 20 20 LEU HD13 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 177 . 1 1 20 20 LEU HD21 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 178 . 1 1 20 20 LEU HD22 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 179 . 1 1 20 20 LEU HD23 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 180 . 1 1 20 20 LEU CA C 13 52.8 0.2 . 1 . . . . . . . . 6224 1 181 . 1 1 20 20 LEU CB C 13 45.4 0.2 . 1 . . . . . . . . 6224 1 182 . 1 1 20 20 LEU N N 15 124.3 0.2 . 1 . . . . . . . . 6224 1 183 . 1 1 21 21 THR H H 1 8.53 0.02 . 1 . . . . . . . . 6224 1 184 . 1 1 21 21 THR C C 13 172.9 0.2 . 1 . . . . . . . . 6224 1 185 . 1 1 21 21 THR CA C 13 60.4 0.2 . 1 . . . . . . . . 6224 1 186 . 1 1 21 21 THR CB C 13 68.0 0.2 . 1 . . . . . . . . 6224 1 187 . 1 1 21 21 THR N N 15 117.4 0.2 . 1 . . . . . . . . 6224 1 188 . 1 1 22 22 PRO HA H 1 4.23 0.05 . 1 . . . . . . . . 6224 1 189 . 1 1 22 22 PRO C C 13 179.0 0.2 . 1 . . . . . . . . 6224 1 190 . 1 1 22 22 PRO CA C 13 66.1 0.2 . 1 . . . . . . . . 6224 1 191 . 1 1 22 22 PRO CB C 13 31.6 0.2 . 1 . . . . . . . . 6224 1 192 . 1 1 23 23 ALA H H 1 8.28 0.02 . 1 . . . . . . . . 6224 1 193 . 1 1 23 23 ALA HA H 1 4.15 0.05 . 1 . . . . . . . . 6224 1 194 . 1 1 23 23 ALA HB1 H 1 1.64 0.05 . 1 . . . . . . . . 6224 1 195 . 1 1 23 23 ALA HB2 H 1 1.64 0.05 . 1 . . . . . . . . 6224 1 196 . 1 1 23 23 ALA HB3 H 1 1.64 0.05 . 1 . . . . . . . . 6224 1 197 . 1 1 23 23 ALA C C 13 181.2 0.2 . 1 . . . . . . . . 6224 1 198 . 1 1 23 23 ALA CA C 13 55.1 0.2 . 1 . . . . . . . . 6224 1 199 . 1 1 23 23 ALA CB C 13 19.7 0.2 . 1 . . . . . . . . 6224 1 200 . 1 1 23 23 ALA N N 15 121.3 0.2 . 1 . . . . . . . . 6224 1 201 . 1 1 24 24 ALA H H 1 7.90 0.02 . 1 . . . . . . . . 6224 1 202 . 1 1 24 24 ALA HA H 1 3.93 0.05 . 1 . . . . . . . . 6224 1 203 . 1 1 24 24 ALA HB1 H 1 1.48 0.05 . 1 . . . . . . . . 6224 1 204 . 1 1 24 24 ALA HB2 H 1 1.48 0.05 . 1 . . . . . . . . 6224 1 205 . 1 1 24 24 ALA HB3 H 1 1.48 0.05 . 1 . . . . . . . . 6224 1 206 . 1 1 24 24 ALA C C 13 178.6 0.2 . 1 . . . . . . . . 6224 1 207 . 1 1 24 24 ALA CA C 13 55.3 0.2 . 1 . . . . . . . . 6224 1 208 . 1 1 24 24 ALA CB C 13 18.9 0.2 . 1 . . . . . . . . 6224 1 209 . 1 1 24 24 ALA N N 15 125.4 0.2 . 1 . . . . . . . . 6224 1 210 . 1 1 25 25 ALA H H 1 8.58 0.02 . 1 . . . . . . . . 6224 1 211 . 1 1 25 25 ALA HA H 1 3.83 0.05 . 1 . . . . . . . . 6224 1 212 . 1 1 25 25 ALA HB1 H 1 1.52 0.05 . 1 . . . . . . . . 6224 1 213 . 1 1 25 25 ALA HB2 H 1 1.52 0.05 . 1 . . . . . . . . 6224 1 214 . 1 1 25 25 ALA HB3 H 1 1.52 0.05 . 1 . . . . . . . . 6224 1 215 . 1 1 25 25 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 6224 1 216 . 1 1 25 25 ALA CA C 13 58.9 0.2 . 1 . . . . . . . . 6224 1 217 . 1 1 25 25 ALA CB C 13 18.5 0.2 . 1 . . . . . . . . 6224 1 218 . 1 1 25 25 ALA N N 15 125.0 0.2 . 1 . . . . . . . . 6224 1 219 . 1 1 26 26 ILE H H 1 8.34 0.02 . 1 . . . . . . . . 6224 1 220 . 1 1 26 26 ILE HA H 1 3.56 0.05 . 1 . . . . . . . . 6224 1 221 . 1 1 26 26 ILE HB H 1 1.80 0.05 . 1 . . . . . . . . 6224 1 222 . 1 1 26 26 ILE HG12 H 1 1.11 0.05 . 1 . . . . . . . . 6224 1 223 . 1 1 26 26 ILE HG13 H 1 1.11 0.05 . 1 . . . . . . . . 6224 1 224 . 1 1 26 26 ILE HG21 H 1 0.89 0.05 . 1 . . . . . . . . 6224 1 225 . 1 1 26 26 ILE HG22 H 1 0.89 0.05 . 1 . . . . . . . . 6224 1 226 . 1 1 26 26 ILE HG23 H 1 0.89 0.05 . 1 . . . . . . . . 6224 1 227 . 1 1 26 26 ILE HD11 H 1 0.86 0.05 . 1 . . . . . . . . 6224 1 228 . 1 1 26 26 ILE HD12 H 1 0.86 0.05 . 1 . . . . . . . . 6224 1 229 . 1 1 26 26 ILE HD13 H 1 0.86 0.05 . 1 . . . . . . . . 6224 1 230 . 1 1 26 26 ILE C C 13 178.2 0.2 . 1 . . . . . . . . 6224 1 231 . 1 1 26 26 ILE CA C 13 65.2 0.2 . 1 . . . . . . . . 6224 1 232 . 1 1 26 26 ILE CB C 13 38.4 0.2 . 1 . . . . . . . . 6224 1 233 . 1 1 26 26 ILE CG2 C 13 17.2 0.2 . 1 . . . . . . . . 6224 1 234 . 1 1 26 26 ILE CD1 C 13 13.3 0.2 . 1 . . . . . . . . 6224 1 235 . 1 1 26 26 ILE N N 15 121.5 0.2 . 1 . . . . . . . . 6224 1 236 . 1 1 27 27 HIS H H 1 7.44 0.02 . 1 . . . . . . . . 6224 1 237 . 1 1 27 27 HIS HA H 1 4.21 0.05 . 1 . . . . . . . . 6224 1 238 . 1 1 27 27 HIS C C 13 176.9 0.2 . 1 . . . . . . . . 6224 1 239 . 1 1 27 27 HIS CA C 13 59.1 0.2 . 1 . . . . . . . . 6224 1 240 . 1 1 27 27 HIS CB C 13 28.8 0.2 . 1 . . . . . . . . 6224 1 241 . 1 1 27 27 HIS N N 15 121.9 0.2 . 1 . . . . . . . . 6224 1 242 . 1 1 28 28 ILE H H 1 8.49 0.02 . 1 . . . . . . . . 6224 1 243 . 1 1 28 28 ILE HA H 1 3.36 0.05 . 1 . . . . . . . . 6224 1 244 . 1 1 28 28 ILE HB H 1 1.85 0.05 . 1 . . . . . . . . 6224 1 245 . 1 1 28 28 ILE HG21 H 1 0.94 0.05 . 1 . . . . . . . . 6224 1 246 . 1 1 28 28 ILE HG22 H 1 0.94 0.05 . 1 . . . . . . . . 6224 1 247 . 1 1 28 28 ILE HG23 H 1 0.94 0.05 . 1 . . . . . . . . 6224 1 248 . 1 1 28 28 ILE HD11 H 1 0.77 0.05 . 1 . . . . . . . . 6224 1 249 . 1 1 28 28 ILE HD12 H 1 0.77 0.05 . 1 . . . . . . . . 6224 1 250 . 1 1 28 28 ILE HD13 H 1 0.77 0.05 . 1 . . . . . . . . 6224 1 251 . 1 1 28 28 ILE C C 13 177.2 0.2 . 1 . . . . . . . . 6224 1 252 . 1 1 28 28 ILE CA C 13 66.5 0.2 . 1 . . . . . . . . 6224 1 253 . 1 1 28 28 ILE CB C 13 38.0 0.2 . 1 . . . . . . . . 6224 1 254 . 1 1 28 28 ILE CG2 C 13 17.6 0.2 . 1 . . . . . . . . 6224 1 255 . 1 1 28 28 ILE N N 15 123.1 0.2 . 1 . . . . . . . . 6224 1 256 . 1 1 29 29 ARG H H 1 8.10 0.02 . 1 . . . . . . . . 6224 1 257 . 1 1 29 29 ARG HA H 1 3.90 0.05 . 1 . . . . . . . . 6224 1 258 . 1 1 29 29 ARG C C 13 179.7 0.2 . 1 . . . . . . . . 6224 1 259 . 1 1 29 29 ARG CA C 13 60.5 0.2 . 1 . . . . . . . . 6224 1 260 . 1 1 29 29 ARG CB C 13 30.2 0.2 . 1 . . . . . . . . 6224 1 261 . 1 1 29 29 ARG CG C 13 28.1 0.2 . 1 . . . . . . . . 6224 1 262 . 1 1 29 29 ARG CD C 13 43.7 0.2 . 1 . . . . . . . . 6224 1 263 . 1 1 29 29 ARG N N 15 121.5 0.2 . 1 . . . . . . . . 6224 1 264 . 1 1 30 30 GLU H H 1 7.90 0.02 . 1 . . . . . . . . 6224 1 265 . 1 1 30 30 GLU HA H 1 3.98 0.05 . 1 . . . . . . . . 6224 1 266 . 1 1 30 30 GLU HB2 H 1 2.14 0.05 . 1 . . . . . . . . 6224 1 267 . 1 1 30 30 GLU HB3 H 1 2.14 0.05 . 1 . . . . . . . . 6224 1 268 . 1 1 30 30 GLU HG2 H 1 2.44 0.05 . 1 . . . . . . . . 6224 1 269 . 1 1 30 30 GLU HG3 H 1 2.44 0.05 . 1 . . . . . . . . 6224 1 270 . 1 1 30 30 GLU C C 13 178.8 0.2 . 1 . . . . . . . . 6224 1 271 . 1 1 30 30 GLU CA C 13 59.2 0.2 . 1 . . . . . . . . 6224 1 272 . 1 1 30 30 GLU CB C 13 29.2 0.2 . 1 . . . . . . . . 6224 1 273 . 1 1 30 30 GLU CG C 13 36.6 0.2 . 1 . . . . . . . . 6224 1 274 . 1 1 30 30 GLU N N 15 124.8 0.2 . 1 . . . . . . . . 6224 1 275 . 1 1 31 31 LEU H H 1 8.00 0.02 . 1 . . . . . . . . 6224 1 276 . 1 1 31 31 LEU HA H 1 3.83 0.05 . 1 . . . . . . . . 6224 1 277 . 1 1 31 31 LEU C C 13 179.7 0.2 . 1 . . . . . . . . 6224 1 278 . 1 1 31 31 LEU CA C 13 57.9 0.2 . 1 . . . . . . . . 6224 1 279 . 1 1 31 31 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 6224 1 280 . 1 1 31 31 LEU CD1 C 13 25.5 0.2 . 1 . . . . . . . . 6224 1 281 . 1 1 31 31 LEU CD2 C 13 22.8 0.2 . 1 . . . . . . . . 6224 1 282 . 1 1 31 31 LEU N N 15 125.2 0.2 . 1 . . . . . . . . 6224 1 283 . 1 1 32 32 VAL H H 1 8.13 0.02 . 1 . . . . . . . . 6224 1 284 . 1 1 32 32 VAL HA H 1 3.64 0.05 . 1 . . . . . . . . 6224 1 285 . 1 1 32 32 VAL HB H 1 2.06 0.05 . 1 . . . . . . . . 6224 1 286 . 1 1 32 32 VAL HG11 H 1 0.92 0.05 . 2 . . . . . . . . 6224 1 287 . 1 1 32 32 VAL HG12 H 1 0.92 0.05 . 2 . . . . . . . . 6224 1 288 . 1 1 32 32 VAL HG13 H 1 0.92 0.05 . 2 . . . . . . . . 6224 1 289 . 1 1 32 32 VAL HG21 H 1 0.83 0.05 . 2 . . . . . . . . 6224 1 290 . 1 1 32 32 VAL HG22 H 1 0.83 0.05 . 2 . . . . . . . . 6224 1 291 . 1 1 32 32 VAL HG23 H 1 0.83 0.05 . 2 . . . . . . . . 6224 1 292 . 1 1 32 32 VAL C C 13 178.1 0.2 . 1 . . . . . . . . 6224 1 293 . 1 1 32 32 VAL CA C 13 66.0 0.2 . 1 . . . . . . . . 6224 1 294 . 1 1 32 32 VAL CB C 13 31.7 0.2 . 1 . . . . . . . . 6224 1 295 . 1 1 32 32 VAL CG1 C 13 23.0 0.2 . 1 . . . . . . . . 6224 1 296 . 1 1 32 32 VAL CG2 C 13 21.0 0.2 . 1 . . . . . . . . 6224 1 297 . 1 1 32 32 VAL N N 15 123.4 0.2 . 1 . . . . . . . . 6224 1 298 . 1 1 33 33 ALA H H 1 7.58 0.02 . 1 . . . . . . . . 6224 1 299 . 1 1 33 33 ALA HA H 1 4.06 0.05 . 1 . . . . . . . . 6224 1 300 . 1 1 33 33 ALA HB1 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 301 . 1 1 33 33 ALA HB2 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 302 . 1 1 33 33 ALA HB3 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 303 . 1 1 33 33 ALA C C 13 179.3 0.2 . 1 . . . . . . . . 6224 1 304 . 1 1 33 33 ALA CA C 13 54.1 0.2 . 1 . . . . . . . . 6224 1 305 . 1 1 33 33 ALA CB C 13 18.3 0.2 . 1 . . . . . . . . 6224 1 306 . 1 1 33 33 ALA N N 15 123.9 0.2 . 1 . . . . . . . . 6224 1 307 . 1 1 34 34 LYS H H 1 7.28 0.02 . 1 . . . . . . . . 6224 1 308 . 1 1 34 34 LYS HA H 1 4.29 0.05 . 1 . . . . . . . . 6224 1 309 . 1 1 34 34 LYS HB2 H 1 1.88 0.05 . 2 . . . . . . . . 6224 1 310 . 1 1 34 34 LYS HB3 H 1 1.96 0.05 . 2 . . . . . . . . 6224 1 311 . 1 1 34 34 LYS HG2 H 1 0.83 0.05 . 1 . . . . . . . . 6224 1 312 . 1 1 34 34 LYS HG3 H 1 0.83 0.05 . 1 . . . . . . . . 6224 1 313 . 1 1 34 34 LYS HD2 H 1 1.53 0.05 . 2 . . . . . . . . 6224 1 314 . 1 1 34 34 LYS HD3 H 1 1.60 0.05 . 2 . . . . . . . . 6224 1 315 . 1 1 34 34 LYS HE2 H 1 2.97 0.05 . 1 . . . . . . . . 6224 1 316 . 1 1 34 34 LYS HE3 H 1 2.97 0.05 . 1 . . . . . . . . 6224 1 317 . 1 1 34 34 LYS C C 13 175.9 0.2 . 1 . . . . . . . . 6224 1 318 . 1 1 34 34 LYS CA C 13 56.5 0.2 . 1 . . . . . . . . 6224 1 319 . 1 1 34 34 LYS CB C 13 33.6 0.2 . 1 . . . . . . . . 6224 1 320 . 1 1 34 34 LYS CG C 13 25.1 0.2 . 1 . . . . . . . . 6224 1 321 . 1 1 34 34 LYS CD C 13 29.2 0.2 . 1 . . . . . . . . 6224 1 322 . 1 1 34 34 LYS CE C 13 41.1 0.2 . 1 . . . . . . . . 6224 1 323 . 1 1 34 34 LYS N N 15 119.2 0.2 . 1 . . . . . . . . 6224 1 324 . 1 1 35 35 GLN H H 1 7.50 0.02 . 1 . . . . . . . . 6224 1 325 . 1 1 35 35 GLN CA C 13 52.3 0.2 . 1 . . . . . . . . 6224 1 326 . 1 1 35 35 GLN CB C 13 30.4 0.2 . 1 . . . . . . . . 6224 1 327 . 1 1 35 35 GLN N N 15 125.4 0.2 . 1 . . . . . . . . 6224 1 328 . 1 1 35 35 GLN HE21 H 1 7.34 0.05 . 2 . . . . . . . . 6224 1 329 . 1 1 35 35 GLN HE22 H 1 6.78 0.05 . 2 . . . . . . . . 6224 1 330 . 1 1 35 35 GLN NE2 N 15 115.9 0.2 . 1 . . . . . . . . 6224 1 331 . 1 1 36 36 PRO HA H 1 4.31 0.05 . 1 . . . . . . . . 6224 1 332 . 1 1 36 36 PRO HB2 H 1 2.26 0.05 . 2 . . . . . . . . 6224 1 333 . 1 1 36 36 PRO HG2 H 1 1.88 0.05 . 2 . . . . . . . . 6224 1 334 . 1 1 36 36 PRO HD2 H 1 3.68 0.05 . 2 . . . . . . . . 6224 1 335 . 1 1 36 36 PRO C C 13 178.0 0.2 . 1 . . . . . . . . 6224 1 336 . 1 1 36 36 PRO CA C 13 64.2 0.2 . 1 . . . . . . . . 6224 1 337 . 1 1 36 36 PRO CB C 13 31.6 0.2 . 1 . . . . . . . . 6224 1 338 . 1 1 36 36 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 6224 1 339 . 1 1 36 36 PRO CD C 13 50.6 0.2 . 1 . . . . . . . . 6224 1 340 . 1 1 37 37 GLY H H 1 8.71 0.02 . 1 . . . . . . . . 6224 1 341 . 1 1 37 37 GLY HA2 H 1 4.29 0.05 . 1 . . . . . . . . 6224 1 342 . 1 1 37 37 GLY HA3 H 1 3.57 0.05 . 1 . . . . . . . . 6224 1 343 . 1 1 37 37 GLY C C 13 174.0 0.2 . 1 . . . . . . . . 6224 1 344 . 1 1 37 37 GLY CA C 13 44.3 0.2 . 1 . . . . . . . . 6224 1 345 . 1 1 37 37 GLY N N 15 118.3 0.2 . 1 . . . . . . . . 6224 1 346 . 1 1 38 38 MET H H 1 8.07 0.02 . 1 . . . . . . . . 6224 1 347 . 1 1 38 38 MET HA H 1 4.42 0.05 . 1 . . . . . . . . 6224 1 348 . 1 1 38 38 MET C C 13 176.6 0.2 . 1 . . . . . . . . 6224 1 349 . 1 1 38 38 MET CA C 13 56.2 0.2 . 1 . . . . . . . . 6224 1 350 . 1 1 38 38 MET CB C 13 33.4 0.2 . 1 . . . . . . . . 6224 1 351 . 1 1 38 38 MET N N 15 124.5 0.2 . 1 . . . . . . . . 6224 1 352 . 1 1 39 39 VAL H H 1 9.17 0.02 . 1 . . . . . . . . 6224 1 353 . 1 1 39 39 VAL HA H 1 4.62 0.05 . 1 . . . . . . . . 6224 1 354 . 1 1 39 39 VAL HB H 1 2.16 0.05 . 1 . . . . . . . . 6224 1 355 . 1 1 39 39 VAL HG11 H 1 0.97 0.05 . 1 . . . . . . . . 6224 1 356 . 1 1 39 39 VAL HG12 H 1 0.97 0.05 . 1 . . . . . . . . 6224 1 357 . 1 1 39 39 VAL HG13 H 1 0.97 0.05 . 1 . . . . . . . . 6224 1 358 . 1 1 39 39 VAL HG21 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 359 . 1 1 39 39 VAL HG22 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 360 . 1 1 39 39 VAL HG23 H 1 0.78 0.05 . 1 . . . . . . . . 6224 1 361 . 1 1 39 39 VAL C C 13 176.8 0.2 . 1 . . . . . . . . 6224 1 362 . 1 1 39 39 VAL CA C 13 61.4 0.2 . 1 . . . . . . . . 6224 1 363 . 1 1 39 39 VAL CB C 13 34.1 0.2 . 1 . . . . . . . . 6224 1 364 . 1 1 39 39 VAL CG1 C 13 21.3 0.2 . 1 . . . . . . . . 6224 1 365 . 1 1 39 39 VAL CG2 C 13 19.7 0.2 . 1 . . . . . . . . 6224 1 366 . 1 1 39 39 VAL N N 15 121.1 0.2 . 1 . . . . . . . . 6224 1 367 . 1 1 40 40 GLY H H 1 7.65 0.02 . 1 . . . . . . . . 6224 1 368 . 1 1 40 40 GLY HA2 H 1 4.05 0.05 . 1 . . . . . . . . 6224 1 369 . 1 1 40 40 GLY C C 13 170.7 0.2 . 1 . . . . . . . . 6224 1 370 . 1 1 40 40 GLY CA C 13 45.8 0.2 . 1 . . . . . . . . 6224 1 371 . 1 1 40 40 GLY N N 15 112.3 0.2 . 1 . . . . . . . . 6224 1 372 . 1 1 41 41 VAL H H 1 8.44 0.02 . 1 . . . . . . . . 6224 1 373 . 1 1 41 41 VAL HA H 1 5.26 0.05 . 1 . . . . . . . . 6224 1 374 . 1 1 41 41 VAL HG11 H 1 0.74 0.05 . 1 . . . . . . . . 6224 1 375 . 1 1 41 41 VAL HG12 H 1 0.74 0.05 . 1 . . . . . . . . 6224 1 376 . 1 1 41 41 VAL HG13 H 1 0.74 0.05 . 1 . . . . . . . . 6224 1 377 . 1 1 41 41 VAL HG21 H 1 0.80 0.05 . 1 . . . . . . . . 6224 1 378 . 1 1 41 41 VAL HG22 H 1 0.80 0.05 . 1 . . . . . . . . 6224 1 379 . 1 1 41 41 VAL HG23 H 1 0.80 0.05 . 1 . . . . . . . . 6224 1 380 . 1 1 41 41 VAL C C 13 172.9 0.2 . 1 . . . . . . . . 6224 1 381 . 1 1 41 41 VAL CA C 13 58.9 0.2 . 1 . . . . . . . . 6224 1 382 . 1 1 41 41 VAL CB C 13 35.0 0.2 . 1 . . . . . . . . 6224 1 383 . 1 1 41 41 VAL CG1 C 13 20.1 0.2 . 1 . . . . . . . . 6224 1 384 . 1 1 41 41 VAL CG2 C 13 17.7 0.2 . 1 . . . . . . . . 6224 1 385 . 1 1 41 41 VAL N N 15 117.6 0.2 . 1 . . . . . . . . 6224 1 386 . 1 1 42 42 ARG H H 1 9.42 0.02 . 1 . . . . . . . . 6224 1 387 . 1 1 42 42 ARG C C 13 173.7 0.2 . 1 . . . . . . . . 6224 1 388 . 1 1 42 42 ARG CA C 13 53.5 0.2 . 1 . . . . . . . . 6224 1 389 . 1 1 42 42 ARG CB C 13 34.4 0.2 . 1 . . . . . . . . 6224 1 390 . 1 1 42 42 ARG CD C 13 43.8 0.2 . 1 . . . . . . . . 6224 1 391 . 1 1 42 42 ARG N N 15 129.0 0.2 . 1 . . . . . . . . 6224 1 392 . 1 1 43 43 LEU H H 1 8.76 0.02 . 1 . . . . . . . . 6224 1 393 . 1 1 43 43 LEU HA H 1 5.08 0.05 . 1 . . . . . . . . 6224 1 394 . 1 1 43 43 LEU C C 13 173.0 0.2 . 1 . . . . . . . . 6224 1 395 . 1 1 43 43 LEU CA C 13 53.3 0.2 . 1 . . . . . . . . 6224 1 396 . 1 1 43 43 LEU CB C 13 45.9 0.2 . 1 . . . . . . . . 6224 1 397 . 1 1 43 43 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 6224 1 398 . 1 1 43 43 LEU N N 15 135.2 0.2 . 1 . . . . . . . . 6224 1 399 . 1 1 44 44 GLY H H 1 8.60 0.02 . 1 . . . . . . . . 6224 1 400 . 1 1 44 44 GLY HA2 H 1 3.56 0.05 . 1 . . . . . . . . 6224 1 401 . 1 1 44 44 GLY HA3 H 1 4.34 0.05 . 1 . . . . . . . . 6224 1 402 . 1 1 44 44 GLY C C 13 172.8 0.2 . 1 . . . . . . . . 6224 1 403 . 1 1 44 44 GLY CA C 13 42.9 0.2 . 1 . . . . . . . . 6224 1 404 . 1 1 44 44 GLY N N 15 114.1 0.2 . 1 . . . . . . . . 6224 1 405 . 1 1 45 45 VAL H H 1 7.98 0.02 . 1 . . . . . . . . 6224 1 406 . 1 1 45 45 VAL HA H 1 5.09 0.05 . 1 . . . . . . . . 6224 1 407 . 1 1 45 45 VAL HB H 1 1.60 0.05 . 1 . . . . . . . . 6224 1 408 . 1 1 45 45 VAL HG11 H 1 0.35 0.05 . 1 . . . . . . . . 6224 1 409 . 1 1 45 45 VAL HG12 H 1 0.35 0.05 . 1 . . . . . . . . 6224 1 410 . 1 1 45 45 VAL HG13 H 1 0.35 0.05 . 1 . . . . . . . . 6224 1 411 . 1 1 45 45 VAL HG21 H 1 0.37 0.05 . 1 . . . . . . . . 6224 1 412 . 1 1 45 45 VAL HG22 H 1 0.37 0.05 . 1 . . . . . . . . 6224 1 413 . 1 1 45 45 VAL HG23 H 1 0.37 0.05 . 1 . . . . . . . . 6224 1 414 . 1 1 45 45 VAL C C 13 175.3 0.2 . 1 . . . . . . . . 6224 1 415 . 1 1 45 45 VAL CA C 13 58.9 0.2 . 1 . . . . . . . . 6224 1 416 . 1 1 45 45 VAL CB C 13 33.1 0.2 . 1 . . . . . . . . 6224 1 417 . 1 1 45 45 VAL CG1 C 13 22.3 0.2 . 1 . . . . . . . . 6224 1 418 . 1 1 45 45 VAL CG2 C 13 19.1 0.2 . 1 . . . . . . . . 6224 1 419 . 1 1 45 45 VAL N N 15 116.1 0.2 . 1 . . . . . . . . 6224 1 420 . 1 1 46 46 LYS H H 1 8.49 0.02 . 1 . . . . . . . . 6224 1 421 . 1 1 46 46 LYS HA H 1 4.46 0.05 . 1 . . . . . . . . 6224 1 422 . 1 1 46 46 LYS HB2 H 1 1.50 0.05 . 1 . . . . . . . . 6224 1 423 . 1 1 46 46 LYS HB3 H 1 1.50 0.05 . 1 . . . . . . . . 6224 1 424 . 1 1 46 46 LYS HG2 H 1 1.11 0.05 . 1 . . . . . . . . 6224 1 425 . 1 1 46 46 LYS HG3 H 1 1.11 0.05 . 1 . . . . . . . . 6224 1 426 . 1 1 46 46 LYS HD2 H 1 1.69 0.05 . 2 . . . . . . . . 6224 1 427 . 1 1 46 46 LYS HD3 H 1 1.85 0.05 . 2 . . . . . . . . 6224 1 428 . 1 1 46 46 LYS HE2 H 1 2.69 0.05 . 2 . . . . . . . . 6224 1 429 . 1 1 46 46 LYS HE3 H 1 2.81 0.05 . 2 . . . . . . . . 6224 1 430 . 1 1 46 46 LYS C C 13 175.2 0.2 . 1 . . . . . . . . 6224 1 431 . 1 1 46 46 LYS CA C 13 54.4 0.2 . 1 . . . . . . . . 6224 1 432 . 1 1 46 46 LYS CB C 13 35.1 0.2 . 1 . . . . . . . . 6224 1 433 . 1 1 46 46 LYS CG C 13 24.1 0.2 . 1 . . . . . . . . 6224 1 434 . 1 1 46 46 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6224 1 435 . 1 1 46 46 LYS CE C 13 42.1 0.2 . 1 . . . . . . . . 6224 1 436 . 1 1 46 46 LYS N N 15 127.2 0.2 . 1 . . . . . . . . 6224 1 437 . 1 1 47 47 GLN H H 1 8.73 0.02 . 1 . . . . . . . . 6224 1 438 . 1 1 47 47 GLN HA H 1 4.31 0.05 . 1 . . . . . . . . 6224 1 439 . 1 1 47 47 GLN HB2 H 1 1.78 0.05 . 2 . . . . . . . . 6224 1 440 . 1 1 47 47 GLN HB3 H 1 2.00 0.05 . 2 . . . . . . . . 6224 1 441 . 1 1 47 47 GLN HG2 H 1 2.09 0.05 . 1 . . . . . . . . 6224 1 442 . 1 1 47 47 GLN HG3 H 1 2.09 0.05 . 1 . . . . . . . . 6224 1 443 . 1 1 47 47 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 6224 1 444 . 1 1 47 47 GLN CA C 13 53.8 0.2 . 1 . . . . . . . . 6224 1 445 . 1 1 47 47 GLN CB C 13 26.8 0.2 . 1 . . . . . . . . 6224 1 446 . 1 1 47 47 GLN CG C 13 31.6 0.2 . 1 . . . . . . . . 6224 1 447 . 1 1 47 47 GLN N N 15 128.4 0.2 . 1 . . . . . . . . 6224 1 448 . 1 1 47 47 GLN HE21 H 1 7.20 0.05 . 2 . . . . . . . . 6224 1 449 . 1 1 47 47 GLN HE22 H 1 6.41 0.05 . 2 . . . . . . . . 6224 1 450 . 1 1 47 47 GLN NE2 N 15 115.6 0.2 . 1 . . . . . . . . 6224 1 451 . 1 1 48 48 THR H H 1 8.11 0.02 . 1 . . . . . . . . 6224 1 452 . 1 1 48 48 THR HA H 1 4.36 0.05 . 1 . . . . . . . . 6224 1 453 . 1 1 48 48 THR HB H 1 4.15 0.05 . 1 . . . . . . . . 6224 1 454 . 1 1 48 48 THR HG21 H 1 0.96 0.05 . 1 . . . . . . . . 6224 1 455 . 1 1 48 48 THR HG22 H 1 0.96 0.05 . 1 . . . . . . . . 6224 1 456 . 1 1 48 48 THR HG23 H 1 0.96 0.05 . 1 . . . . . . . . 6224 1 457 . 1 1 48 48 THR C C 13 174.8 0.2 . 1 . . . . . . . . 6224 1 458 . 1 1 48 48 THR CA C 13 60.1 0.2 . 1 . . . . . . . . 6224 1 459 . 1 1 48 48 THR CB C 13 69.7 0.2 . 1 . . . . . . . . 6224 1 460 . 1 1 48 48 THR CG2 C 13 21.1 0.2 . 1 . . . . . . . . 6224 1 461 . 1 1 48 48 THR N N 15 120.0 0.2 . 1 . . . . . . . . 6224 1 462 . 1 1 49 49 GLY H H 1 8.31 0.02 . 1 . . . . . . . . 6224 1 463 . 1 1 49 49 GLY C C 13 174.4 0.2 . 1 . . . . . . . . 6224 1 464 . 1 1 49 49 GLY CA C 13 45.6 0.2 . 1 . . . . . . . . 6224 1 465 . 1 1 49 49 GLY N N 15 116.0 0.2 . 1 . . . . . . . . 6224 1 466 . 1 1 50 50 CYS H H 1 8.34 0.05 . 1 . . . . . . . . 6224 1 467 . 1 1 50 50 CYS HA H 1 4.44 0.05 . 1 . . . . . . . . 6224 1 468 . 1 1 50 50 CYS HB2 H 1 2.93 0.05 . 1 . . . . . . . . 6224 1 469 . 1 1 50 50 CYS HB3 H 1 2.93 0.05 . 1 . . . . . . . . 6224 1 470 . 1 1 50 50 CYS C C 13 174.4 0.2 . 1 . . . . . . . . 6224 1 471 . 1 1 50 50 CYS CA C 13 58.7 0.2 . 1 . . . . . . . . 6224 1 472 . 1 1 50 50 CYS CB C 13 27.8 0.2 . 1 . . . . . . . . 6224 1 473 . 1 1 50 50 CYS N N 15 123.4 0.2 . 1 . . . . . . . . 6224 1 474 . 1 1 51 51 ALA H H 1 8.22 0.02 . 1 . . . . . . . . 6224 1 475 . 1 1 51 51 ALA HA H 1 4.36 0.05 . 1 . . . . . . . . 6224 1 476 . 1 1 51 51 ALA HB1 H 1 1.38 0.05 . 1 . . . . . . . . 6224 1 477 . 1 1 51 51 ALA HB2 H 1 1.38 0.05 . 1 . . . . . . . . 6224 1 478 . 1 1 51 51 ALA HB3 H 1 1.38 0.05 . 1 . . . . . . . . 6224 1 479 . 1 1 51 51 ALA C C 13 177.0 0.2 . 1 . . . . . . . . 6224 1 480 . 1 1 51 51 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 6224 1 481 . 1 1 51 51 ALA CB C 13 19.3 0.2 . 1 . . . . . . . . 6224 1 482 . 1 1 51 51 ALA N N 15 127.5 0.2 . 1 . . . . . . . . 6224 1 483 . 1 1 52 52 GLY H H 1 7.81 0.02 . 1 . . . . . . . . 6224 1 484 . 1 1 52 52 GLY HA2 H 1 3.91 0.05 . 1 . . . . . . . . 6224 1 485 . 1 1 52 52 GLY HA3 H 1 3.91 0.05 . 1 . . . . . . . . 6224 1 486 . 1 1 52 52 GLY C C 13 173.0 0.2 . 1 . . . . . . . . 6224 1 487 . 1 1 52 52 GLY CA C 13 42.4 0.2 . 1 . . . . . . . . 6224 1 488 . 1 1 52 52 GLY N N 15 112.0 0.2 . 1 . . . . . . . . 6224 1 489 . 1 1 53 53 PHE H H 1 7.88 0.02 . 1 . . . . . . . . 6224 1 490 . 1 1 53 53 PHE HA H 1 4.91 0.05 . 1 . . . . . . . . 6224 1 491 . 1 1 53 53 PHE HB2 H 1 2.55 0.05 . 2 . . . . . . . . 6224 1 492 . 1 1 53 53 PHE HB3 H 1 2.57 0.05 . 2 . . . . . . . . 6224 1 493 . 1 1 53 53 PHE C C 13 174.2 0.2 . 1 . . . . . . . . 6224 1 494 . 1 1 53 53 PHE CA C 13 56.8 0.2 . 1 . . . . . . . . 6224 1 495 . 1 1 53 53 PHE CB C 13 41.0 0.2 . 1 . . . . . . . . 6224 1 496 . 1 1 53 53 PHE N N 15 122.4 0.2 . 1 . . . . . . . . 6224 1 497 . 1 1 54 54 GLY H H 1 8.42 0.02 . 1 . . . . . . . . 6224 1 498 . 1 1 54 54 GLY HA2 H 1 3.51 0.05 . 1 . . . . . . . . 6224 1 499 . 1 1 54 54 GLY HA3 H 1 4.28 0.5 . 1 . . . . . . . . 6224 1 500 . 1 1 54 54 GLY C C 13 172.2 0.2 . 1 . . . . . . . . 6224 1 501 . 1 1 54 54 GLY CA C 13 43.6 0.2 . 1 . . . . . . . . 6224 1 502 . 1 1 54 54 GLY N N 15 112.5 0.2 . 1 . . . . . . . . 6224 1 503 . 1 1 55 55 TYR H H 1 8.29 0.02 . 1 . . . . . . . . 6224 1 504 . 1 1 55 55 TYR HA H 1 4.83 0.05 . 1 . . . . . . . . 6224 1 505 . 1 1 55 55 TYR HB2 H 1 3.00 0.05 . 2 . . . . . . . . 6224 1 506 . 1 1 55 55 TYR HB3 H 1 3.14 0.5 . 2 . . . . . . . . 6224 1 507 . 1 1 55 55 TYR C C 13 176.0 0.2 . 1 . . . . . . . . 6224 1 508 . 1 1 55 55 TYR CA C 13 57.8 0.2 . 1 . . . . . . . . 6224 1 509 . 1 1 55 55 TYR CB C 13 40.5 0.2 . 1 . . . . . . . . 6224 1 510 . 1 1 55 55 TYR N N 15 123.7 0.2 . 1 . . . . . . . . 6224 1 511 . 1 1 56 56 VAL H H 1 8.29 0.02 . 1 . . . . . . . . 6224 1 512 . 1 1 56 56 VAL HA H 1 4.31 0.05 . 1 . . . . . . . . 6224 1 513 . 1 1 56 56 VAL HB H 1 1.72 0.05 . 1 . . . . . . . . 6224 1 514 . 1 1 56 56 VAL HG11 H 1 0.76 0.05 . 1 . . . . . . . . 6224 1 515 . 1 1 56 56 VAL HG12 H 1 0.76 0.05 . 1 . . . . . . . . 6224 1 516 . 1 1 56 56 VAL HG13 H 1 0.76 0.05 . 1 . . . . . . . . 6224 1 517 . 1 1 56 56 VAL HG21 H 1 0.69 0.05 . 1 . . . . . . . . 6224 1 518 . 1 1 56 56 VAL HG22 H 1 0.69 0.05 . 1 . . . . . . . . 6224 1 519 . 1 1 56 56 VAL HG23 H 1 0.69 0.05 . 1 . . . . . . . . 6224 1 520 . 1 1 56 56 VAL C C 13 173.3 0.2 . 1 . . . . . . . . 6224 1 521 . 1 1 56 56 VAL CA C 13 60.9 0.2 . 1 . . . . . . . . 6224 1 522 . 1 1 56 56 VAL CB C 13 34.6 0.2 . 1 . . . . . . . . 6224 1 523 . 1 1 56 56 VAL CG1 C 13 21.2 0.2 . 1 . . . . . . . . 6224 1 524 . 1 1 56 56 VAL CG2 C 13 20.3 0.2 . 1 . . . . . . . . 6224 1 525 . 1 1 56 56 VAL N N 15 124.6 0.2 . 1 . . . . . . . . 6224 1 526 . 1 1 57 57 LEU H H 1 8.53 0.02 . 1 . . . . . . . . 6224 1 527 . 1 1 57 57 LEU C C 13 175.1 0.2 . 1 . . . . . . . . 6224 1 528 . 1 1 57 57 LEU CA C 13 53.3 0.2 . 1 . . . . . . . . 6224 1 529 . 1 1 57 57 LEU CB C 13 45.1 0.2 . 1 . . . . . . . . 6224 1 530 . 1 1 57 57 LEU CD1 C 13 25.3 0.2 . 1 . . . . . . . . 6224 1 531 . 1 1 57 57 LEU CD2 C 13 24.8 0.2 . 1 . . . . . . . . 6224 1 532 . 1 1 57 57 LEU N N 15 132.5 0.2 . 1 . . . . . . . . 6224 1 533 . 1 1 58 58 ASP H H 1 8.78 0.02 . 1 . . . . . . . . 6224 1 534 . 1 1 58 58 ASP HA H 1 5.20 0.05 . 1 . . . . . . . . 6224 1 535 . 1 1 58 58 ASP HB2 H 1 2.40 0.05 . 2 . . . . . . . . 6224 1 536 . 1 1 58 58 ASP HB3 H 1 2.66 0.05 . 2 . . . . . . . . 6224 1 537 . 1 1 58 58 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 6224 1 538 . 1 1 58 58 ASP CA C 13 52.6 0.2 . 1 . . . . . . . . 6224 1 539 . 1 1 58 58 ASP CB C 13 45.1 0.2 . 1 . . . . . . . . 6224 1 540 . 1 1 58 58 ASP N N 15 127.7 0.2 . 1 . . . . . . . . 6224 1 541 . 1 1 59 59 SER H H 1 8.83 0.02 . 1 . . . . . . . . 6224 1 542 . 1 1 59 59 SER HA H 1 4.69 0.05 . 1 . . . . . . . . 6224 1 543 . 1 1 59 59 SER HB2 H 1 3.86 0.05 . 1 . . . . . . . . 6224 1 544 . 1 1 59 59 SER HB3 H 1 3.86 0.05 . 1 . . . . . . . . 6224 1 545 . 1 1 59 59 SER C C 13 173.6 0.2 . 1 . . . . . . . . 6224 1 546 . 1 1 59 59 SER CA C 13 59.1 0.2 . 1 . . . . . . . . 6224 1 547 . 1 1 59 59 SER CB C 13 64.1 0.2 . 1 . . . . . . . . 6224 1 548 . 1 1 59 59 SER N N 15 121.4 0.2 . 1 . . . . . . . . 6224 1 549 . 1 1 60 60 VAL H H 1 8.24 0.02 . 1 . . . . . . . . 6224 1 550 . 1 1 60 60 VAL HA H 1 4.41 0.05 . 1 . . . . . . . . 6224 1 551 . 1 1 60 60 VAL HB H 1 1.62 0.05 . 1 . . . . . . . . 6224 1 552 . 1 1 60 60 VAL HG11 H 1 0.33 0.05 . 1 . . . . . . . . 6224 1 553 . 1 1 60 60 VAL HG12 H 1 0.33 0.05 . 1 . . . . . . . . 6224 1 554 . 1 1 60 60 VAL HG13 H 1 0.33 0.05 . 1 . . . . . . . . 6224 1 555 . 1 1 60 60 VAL HG21 H 1 0.53 0.05 . 1 . . . . . . . . 6224 1 556 . 1 1 60 60 VAL HG22 H 1 0.53 0.05 . 1 . . . . . . . . 6224 1 557 . 1 1 60 60 VAL HG23 H 1 0.53 0.05 . 1 . . . . . . . . 6224 1 558 . 1 1 60 60 VAL C C 13 174.4 0.2 . 1 . . . . . . . . 6224 1 559 . 1 1 60 60 VAL CA C 13 60.7 0.2 . 1 . . . . . . . . 6224 1 560 . 1 1 60 60 VAL CB C 13 35.5 0.2 . 1 . . . . . . . . 6224 1 561 . 1 1 60 60 VAL CG1 C 13 21.3 0.2 . 1 . . . . . . . . 6224 1 562 . 1 1 60 60 VAL CG2 C 13 21.3 0.2 . 1 . . . . . . . . 6224 1 563 . 1 1 60 60 VAL N N 15 123.4 0.2 . 1 . . . . . . . . 6224 1 564 . 1 1 61 61 SER H H 1 8.84 0.02 . 1 . . . . . . . . 6224 1 565 . 1 1 61 61 SER HA H 1 4.83 0.05 . 1 . . . . . . . . 6224 1 566 . 1 1 61 61 SER HB2 H 1 3.73 0.05 . 2 . . . . . . . . 6224 1 567 . 1 1 61 61 SER HB3 H 1 3.82 0.05 . 2 . . . . . . . . 6224 1 568 . 1 1 61 61 SER C C 13 173.4 0.2 . 1 . . . . . . . . 6224 1 569 . 1 1 61 61 SER CA C 13 58.9 0.2 . 1 . . . . . . . . 6224 1 570 . 1 1 61 61 SER CB C 13 64.3 0.2 . 1 . . . . . . . . 6224 1 571 . 1 1 61 61 SER N N 15 125.2 0.2 . 1 . . . . . . . . 6224 1 572 . 1 1 62 62 GLU H H 1 7.41 0.02 . 1 . . . . . . . . 6224 1 573 . 1 1 62 62 GLU C C 13 172.4 0.2 . 1 . . . . . . . . 6224 1 574 . 1 1 62 62 GLU CA C 13 53.2 0.2 . 1 . . . . . . . . 6224 1 575 . 1 1 62 62 GLU CB C 13 30.9 0.2 . 1 . . . . . . . . 6224 1 576 . 1 1 62 62 GLU N N 15 124.8 0.2 . 1 . . . . . . . . 6224 1 577 . 1 1 63 63 PRO HA H 1 3.71 0.05 . 1 . . . . . . . . 6224 1 578 . 1 1 63 63 PRO C C 13 176.1 0.2 . 1 . . . . . . . . 6224 1 579 . 1 1 63 63 PRO CA C 13 62.1 0.2 . 1 . . . . . . . . 6224 1 580 . 1 1 63 63 PRO CB C 13 31.8 0.2 . 1 . . . . . . . . 6224 1 581 . 1 1 63 63 PRO CG C 13 26.8 0.2 . 1 . . . . . . . . 6224 1 582 . 1 1 63 63 PRO CD C 13 50.3 0.2 . 1 . . . . . . . . 6224 1 583 . 1 1 64 64 ASP H H 1 8.68 0.02 . 1 . . . . . . . . 6224 1 584 . 1 1 64 64 ASP HA H 1 4.59 0.05 . 1 . . . . . . . . 6224 1 585 . 1 1 64 64 ASP HB2 H 1 2.46 0.05 . 2 . . . . . . . . 6224 1 586 . 1 1 64 64 ASP HB3 H 1 2.54 0.05 . 2 . . . . . . . . 6224 1 587 . 1 1 64 64 ASP C C 13 178.1 0.2 . 1 . . . . . . . . 6224 1 588 . 1 1 64 64 ASP CA C 13 53.6 0.2 . 1 . . . . . . . . 6224 1 589 . 1 1 64 64 ASP CB C 13 43.1 0.2 . 1 . . . . . . . . 6224 1 590 . 1 1 64 64 ASP N N 15 127.8 0.2 . 1 . . . . . . . . 6224 1 591 . 1 1 65 65 LYS H H 1 8.57 0.02 . 1 . . . . . . . . 6224 1 592 . 1 1 65 65 LYS HA H 1 4.03 0.05 . 1 . . . . . . . . 6224 1 593 . 1 1 65 65 LYS HB2 H 1 1.82 0.05 . 1 . . . . . . . . 6224 1 594 . 1 1 65 65 LYS HB3 H 1 1.82 0.05 . 1 . . . . . . . . 6224 1 595 . 1 1 65 65 LYS HG2 H 1 1.41 0.05 . 1 . . . . . . . . 6224 1 596 . 1 1 65 65 LYS HG3 H 1 1.41 0.05 . 1 . . . . . . . . 6224 1 597 . 1 1 65 65 LYS HD2 H 1 1.66 0.05 . 1 . . . . . . . . 6224 1 598 . 1 1 65 65 LYS HD3 H 1 1.65 0.05 . 1 . . . . . . . . 6224 1 599 . 1 1 65 65 LYS HE2 H 1 3.00 0.05 . 1 . . . . . . . . 6224 1 600 . 1 1 65 65 LYS HE3 H 1 3.00 0.05 . 1 . . . . . . . . 6224 1 601 . 1 1 65 65 LYS C C 13 176.6 0.2 . 1 . . . . . . . . 6224 1 602 . 1 1 65 65 LYS CA C 13 58.9 0.2 . 1 . . . . . . . . 6224 1 603 . 1 1 65 65 LYS CB C 13 32.1 0.2 . 1 . . . . . . . . 6224 1 604 . 1 1 65 65 LYS CG C 13 23.8 0.2 . 1 . . . . . . . . 6224 1 605 . 1 1 65 65 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6224 1 606 . 1 1 65 65 LYS CE C 13 42.2 0.2 . 1 . . . . . . . . 6224 1 607 . 1 1 65 65 LYS N N 15 128.5 0.2 . 1 . . . . . . . . 6224 1 608 . 1 1 66 66 ASP H H 1 8.34 0.02 . 1 . . . . . . . . 6224 1 609 . 1 1 66 66 ASP HA H 1 4.85 0.05 . 1 . . . . . . . . 6224 1 610 . 1 1 66 66 ASP HB2 H 1 2.70 0.05 . 2 . . . . . . . . 6224 1 611 . 1 1 66 66 ASP HB3 H 1 2.98 0.05 . 2 . . . . . . . . 6224 1 612 . 1 1 66 66 ASP C C 13 175.7 0.2 . 1 . . . . . . . . 6224 1 613 . 1 1 66 66 ASP CA C 13 54.2 0.2 . 1 . . . . . . . . 6224 1 614 . 1 1 66 66 ASP CB C 13 41.0 0.2 . 1 . . . . . . . . 6224 1 615 . 1 1 66 66 ASP N N 15 121.5 0.2 . 1 . . . . . . . . 6224 1 616 . 1 1 67 67 ASP H H 1 7.33 0.02 . 1 . . . . . . . . 6224 1 617 . 1 1 67 67 ASP HA H 1 4.82 0.05 . 1 . . . . . . . . 6224 1 618 . 1 1 67 67 ASP HB2 H 1 2.53 0.05 . 2 . . . . . . . . 6224 1 619 . 1 1 67 67 ASP HB3 H 1 2.78 0.05 . 2 . . . . . . . . 6224 1 620 . 1 1 67 67 ASP C C 13 177.2 0.2 . 1 . . . . . . . . 6224 1 621 . 1 1 67 67 ASP CA C 13 54.9 0.2 . 1 . . . . . . . . 6224 1 622 . 1 1 67 67 ASP CB C 13 41.2 0.2 . 1 . . . . . . . . 6224 1 623 . 1 1 67 67 ASP N N 15 124.1 0.2 . 1 . . . . . . . . 6224 1 624 . 1 1 68 68 LEU H H 1 9.21 0.02 . 1 . . . . . . . . 6224 1 625 . 1 1 68 68 LEU HA H 1 4.33 0.05 . 1 . . . . . . . . 6224 1 626 . 1 1 68 68 LEU HB2 H 1 1.71 0.05 . 1 . . . . . . . . 6224 1 627 . 1 1 68 68 LEU HB3 H 1 1.71 0.05 . 1 . . . . . . . . 6224 1 628 . 1 1 68 68 LEU HG H 1 1.13 0.05 . 1 . . . . . . . . 6224 1 629 . 1 1 68 68 LEU HD11 H 1 0.96 0.05 . 1 . . . . . . . . 6224 1 630 . 1 1 68 68 LEU HD12 H 1 0.96 0.05 . 1 . . . . . . . . 6224 1 631 . 1 1 68 68 LEU HD13 H 1 0.96 0.05 . 1 . . . . . . . . 6224 1 632 . 1 1 68 68 LEU HD21 H 1 0.93 0.05 . 1 . . . . . . . . 6224 1 633 . 1 1 68 68 LEU HD22 H 1 0.93 0.05 . 1 . . . . . . . . 6224 1 634 . 1 1 68 68 LEU HD23 H 1 0.93 0.05 . 1 . . . . . . . . 6224 1 635 . 1 1 68 68 LEU C C 13 175.0 0.2 . 1 . . . . . . . . 6224 1 636 . 1 1 68 68 LEU CA C 13 54.8 0.2 . 1 . . . . . . . . 6224 1 637 . 1 1 68 68 LEU CB C 13 43.3 0.2 . 1 . . . . . . . . 6224 1 638 . 1 1 68 68 LEU CG C 13 28.5 0.2 . 1 . . . . . . . . 6224 1 639 . 1 1 68 68 LEU CD1 C 13 25.3 0.2 . 1 . . . . . . . . 6224 1 640 . 1 1 68 68 LEU CD2 C 13 23.9 0.2 . 1 . . . . . . . . 6224 1 641 . 1 1 68 68 LEU N N 15 129.6 0.2 . 1 . . . . . . . . 6224 1 642 . 1 1 69 69 LEU H H 1 7.64 0.02 . 1 . . . . . . . . 6224 1 643 . 1 1 69 69 LEU HA H 1 4.54 0.05 . 1 . . . . . . . . 6224 1 644 . 1 1 69 69 LEU C C 13 174.6 0.2 . 1 . . . . . . . . 6224 1 645 . 1 1 69 69 LEU CA C 13 53.5 0.2 . 1 . . . . . . . . 6224 1 646 . 1 1 69 69 LEU CB C 13 43.6 0.2 . 1 . . . . . . . . 6224 1 647 . 1 1 69 69 LEU CG C 13 25.7 0.2 . 1 . . . . . . . . 6224 1 648 . 1 1 69 69 LEU N N 15 125.2 0.2 . 1 . . . . . . . . 6224 1 649 . 1 1 70 70 PHE H H 1 9.18 0.02 . 1 . . . . . . . . 6224 1 650 . 1 1 70 70 PHE HA H 1 4.64 0.05 . 1 . . . . . . . . 6224 1 651 . 1 1 70 70 PHE HB2 H 1 2.72 0.05 . 2 . . . . . . . . 6224 1 652 . 1 1 70 70 PHE HB3 H 1 3.10 0.05 . 2 . . . . . . . . 6224 1 653 . 1 1 70 70 PHE C C 13 173.0 0.2 . 1 . . . . . . . . 6224 1 654 . 1 1 70 70 PHE CA C 13 57.0 0.2 . 1 . . . . . . . . 6224 1 655 . 1 1 70 70 PHE CB C 13 40.1 0.2 . 1 . . . . . . . . 6224 1 656 . 1 1 70 70 PHE N N 15 132.3 0.2 . 1 . . . . . . . . 6224 1 657 . 1 1 71 71 GLU H H 1 8.52 0.02 . 1 . . . . . . . . 6224 1 658 . 1 1 71 71 GLU HA H 1 5.40 0.05 . 1 . . . . . . . . 6224 1 659 . 1 1 71 71 GLU HB2 H 1 1.93 0.05 . 1 . . . . . . . . 6224 1 660 . 1 1 71 71 GLU HB3 H 1 1.93 0.05 . 1 . . . . . . . . 6224 1 661 . 1 1 71 71 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 6224 1 662 . 1 1 71 71 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 6224 1 663 . 1 1 71 71 GLU CB C 13 33.2 0.2 . 1 . . . . . . . . 6224 1 664 . 1 1 71 71 GLU CG C 13 36.5 0.2 . 1 . . . . . . . . 6224 1 665 . 1 1 71 71 GLU N N 15 126.8 0.2 . 1 . . . . . . . . 6224 1 666 . 1 1 72 72 HIS H H 1 8.51 0.02 . 1 . . . . . . . . 6224 1 667 . 1 1 72 72 HIS HA H 1 4.66 0.05 . 1 . . . . . . . . 6224 1 668 . 1 1 72 72 HIS HB2 H 1 2.99 0.05 . 2 . . . . . . . . 6224 1 669 . 1 1 72 72 HIS HB3 H 1 3.10 0.05 . 2 . . . . . . . . 6224 1 670 . 1 1 72 72 HIS C C 13 174.2 0.2 . 1 . . . . . . . . 6224 1 671 . 1 1 72 72 HIS CA C 13 56.2 0.2 . 1 . . . . . . . . 6224 1 672 . 1 1 72 72 HIS CB C 13 31.1 0.2 . 1 . . . . . . . . 6224 1 673 . 1 1 72 72 HIS N N 15 130.1 0.2 . 1 . . . . . . . . 6224 1 674 . 1 1 73 73 ASP H H 1 9.03 0.02 . 1 . . . . . . . . 6224 1 675 . 1 1 73 73 ASP HA H 1 4.16 0.05 . 1 . . . . . . . . 6224 1 676 . 1 1 73 73 ASP HB2 H 1 2.17 0.05 . 2 . . . . . . . . 6224 1 677 . 1 1 73 73 ASP HB3 H 1 2.82 0.05 . 2 . . . . . . . . 6224 1 678 . 1 1 73 73 ASP C C 13 175.6 0.2 . 1 . . . . . . . . 6224 1 679 . 1 1 73 73 ASP CA C 13 54.8 0.2 . 1 . . . . . . . . 6224 1 680 . 1 1 73 73 ASP CB C 13 40.1 0.2 . 1 . . . . . . . . 6224 1 681 . 1 1 73 73 ASP N N 15 131.5 0.2 . 1 . . . . . . . . 6224 1 682 . 1 1 74 74 GLY H H 1 8.60 0.02 . 1 . . . . . . . . 6224 1 683 . 1 1 74 74 GLY HA2 H 1 3.60 0.05 . 1 . . . . . . . . 6224 1 684 . 1 1 74 74 GLY HA3 H 1 4.13 0.05 . 1 . . . . . . . . 6224 1 685 . 1 1 74 74 GLY C C 13 173.7 0.2 . 1 . . . . . . . . 6224 1 686 . 1 1 74 74 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 6224 1 687 . 1 1 74 74 GLY N N 15 108.7 0.2 . 1 . . . . . . . . 6224 1 688 . 1 1 75 75 ALA H H 1 8.10 0.02 . 1 . . . . . . . . 6224 1 689 . 1 1 75 75 ALA HA H 1 4.38 0.05 . 1 . . . . . . . . 6224 1 690 . 1 1 75 75 ALA HB1 H 1 1.53 0.05 . 1 . . . . . . . . 6224 1 691 . 1 1 75 75 ALA HB2 H 1 1.53 0.05 . 1 . . . . . . . . 6224 1 692 . 1 1 75 75 ALA HB3 H 1 1.53 0.05 . 1 . . . . . . . . 6224 1 693 . 1 1 75 75 ALA C C 13 175.5 0.2 . 1 . . . . . . . . 6224 1 694 . 1 1 75 75 ALA CA C 13 51.0 0.2 . 1 . . . . . . . . 6224 1 695 . 1 1 75 75 ALA CB C 13 21.2 0.2 . 1 . . . . . . . . 6224 1 696 . 1 1 75 75 ALA N N 15 129.2 0.2 . 1 . . . . . . . . 6224 1 697 . 1 1 76 76 LYS H H 1 8.74 0.02 . 1 . . . . . . . . 6224 1 698 . 1 1 76 76 LYS HA H 1 4.16 0.05 . 1 . . . . . . . . 6224 1 699 . 1 1 76 76 LYS C C 13 171.6 0.2 . 1 . . . . . . . . 6224 1 700 . 1 1 76 76 LYS CA C 13 56.9 0.2 . 1 . . . . . . . . 6224 1 701 . 1 1 76 76 LYS CB C 13 34.3 0.2 . 1 . . . . . . . . 6224 1 702 . 1 1 76 76 LYS N N 15 126.0 0.2 . 1 . . . . . . . . 6224 1 703 . 1 1 77 77 LEU H H 1 8.12 0.02 . 1 . . . . . . . . 6224 1 704 . 1 1 77 77 LEU HA H 1 4.94 0.05 . 1 . . . . . . . . 6224 1 705 . 1 1 77 77 LEU C C 13 173.7 0.2 . 1 . . . . . . . . 6224 1 706 . 1 1 77 77 LEU CA C 13 52.9 0.2 . 1 . . . . . . . . 6224 1 707 . 1 1 77 77 LEU CB C 13 45.2 0.2 . 1 . . . . . . . . 6224 1 708 . 1 1 77 77 LEU CG C 13 27.0 0.2 . 1 . . . . . . . . 6224 1 709 . 1 1 77 77 LEU N N 15 129.7 0.2 . 1 . . . . . . . . 6224 1 710 . 1 1 78 78 PHE H H 1 9.57 0.02 . 1 . . . . . . . . 6224 1 711 . 1 1 78 78 PHE HA H 1 5.69 0.05 . 1 . . . . . . . . 6224 1 712 . 1 1 78 78 PHE C C 13 175.9 0.2 . 1 . . . . . . . . 6224 1 713 . 1 1 78 78 PHE CA C 13 56.2 0.2 . 1 . . . . . . . . 6224 1 714 . 1 1 78 78 PHE CB C 13 41.1 0.2 . 1 . . . . . . . . 6224 1 715 . 1 1 78 78 PHE N N 15 130.5 0.2 . 1 . . . . . . . . 6224 1 716 . 1 1 79 79 VAL H H 1 9.12 0.02 . 1 . . . . . . . . 6224 1 717 . 1 1 79 79 VAL C C 13 173.5 0.2 . 1 . . . . . . . . 6224 1 718 . 1 1 79 79 VAL CA C 13 58.3 0.2 . 1 . . . . . . . . 6224 1 719 . 1 1 79 79 VAL CB C 13 37.8 0.2 . 1 . . . . . . . . 6224 1 720 . 1 1 79 79 VAL N N 15 125.4 0.2 . 1 . . . . . . . . 6224 1 721 . 1 1 80 80 PRO HA H 1 4.8 0.05 . 1 . . . . . . . . 6224 1 722 . 1 1 80 80 PRO C C 13 178.6 0.2 . 1 . . . . . . . . 6224 1 723 . 1 1 80 80 PRO CA C 13 62.5 0.2 . 1 . . . . . . . . 6224 1 724 . 1 1 80 80 PRO CB C 13 32.3 0.2 . 1 . . . . . . . . 6224 1 725 . 1 1 80 80 PRO CG C 13 27.5 0.2 . 1 . . . . . . . . 6224 1 726 . 1 1 81 81 LEU H H 1 8.54 0.02 . 1 . . . . . . . . 6224 1 727 . 1 1 81 81 LEU HA H 1 3.82 0.05 . 1 . . . . . . . . 6224 1 728 . 1 1 81 81 LEU HB2 H 1 1.67 0.05 . 2 . . . . . . . . 6224 1 729 . 1 1 81 81 LEU HB3 H 1 1.87 0.05 . 2 . . . . . . . . 6224 1 730 . 1 1 81 81 LEU HG H 1 1.30 0.05 . 1 . . . . . . . . 6224 1 731 . 1 1 81 81 LEU HD11 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 732 . 1 1 81 81 LEU HD12 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 733 . 1 1 81 81 LEU HD13 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 734 . 1 1 81 81 LEU HD21 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 735 . 1 1 81 81 LEU HD22 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 736 . 1 1 81 81 LEU HD23 H 1 1.04 0.05 . 1 . . . . . . . . 6224 1 737 . 1 1 81 81 LEU C C 13 180.1 0.2 . 1 . . . . . . . . 6224 1 738 . 1 1 81 81 LEU CA C 13 58.7 0.2 . 1 . . . . . . . . 6224 1 739 . 1 1 81 81 LEU CB C 13 42.0 0.2 . 1 . . . . . . . . 6224 1 740 . 1 1 81 81 LEU CG C 13 27.4 0.2 . 1 . . . . . . . . 6224 1 741 . 1 1 81 81 LEU CD1 C 13 25.4 0.2 . 1 . . . . . . . . 6224 1 742 . 1 1 81 81 LEU CD2 C 13 24.3 0.2 . 1 . . . . . . . . 6224 1 743 . 1 1 81 81 LEU N N 15 131.1 0.2 . 1 . . . . . . . . 6224 1 744 . 1 1 82 82 GLN H H 1 8.71 0.02 . 1 . . . . . . . . 6224 1 745 . 1 1 82 82 GLN HA H 1 4.01 0.05 . 1 . . . . . . . . 6224 1 746 . 1 1 82 82 GLN HG2 H 1 2.43 0.05 . 1 . . . . . . . . 6224 1 747 . 1 1 82 82 GLN HG3 H 1 2.43 0.05 . 1 . . . . . . . . 6224 1 748 . 1 1 82 82 GLN C C 13 176.7 0.2 . 1 . . . . . . . . 6224 1 749 . 1 1 82 82 GLN CA C 13 58.1 0.2 . 1 . . . . . . . . 6224 1 750 . 1 1 82 82 GLN CB C 13 28.3 0.2 . 1 . . . . . . . . 6224 1 751 . 1 1 82 82 GLN CG C 13 34.0 0.2 . 1 . . . . . . . . 6224 1 752 . 1 1 82 82 GLN N N 15 118.0 0.2 . 1 . . . . . . . . 6224 1 753 . 1 1 82 82 GLN HE21 H 1 7.51 0.05 . 2 . . . . . . . . 6224 1 754 . 1 1 82 82 GLN HE22 H 1 6.85 0.05 . 2 . . . . . . . . 6224 1 755 . 1 1 82 82 GLN NE2 N 15 116.1 0.2 . 1 . . . . . . . . 6224 1 756 . 1 1 83 83 ALA H H 1 7.78 0.02 . 1 . . . . . . . . 6224 1 757 . 1 1 83 83 ALA HA H 1 4.41 0.5 . 1 . . . . . . . . 6224 1 758 . 1 1 83 83 ALA HB1 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 759 . 1 1 83 83 ALA HB2 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 760 . 1 1 83 83 ALA HB3 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 761 . 1 1 83 83 ALA C C 13 178.8 0.2 . 1 . . . . . . . . 6224 1 762 . 1 1 83 83 ALA CA C 13 52.6 0.2 . 1 . . . . . . . . 6224 1 763 . 1 1 83 83 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 6224 1 764 . 1 1 83 83 ALA N N 15 122.5 0.2 . 1 . . . . . . . . 6224 1 765 . 1 1 84 84 MET H H 1 7.10 0.02 . 1 . . . . . . . . 6224 1 766 . 1 1 84 84 MET C C 13 174.8 0.2 . 1 . . . . . . . . 6224 1 767 . 1 1 84 84 MET CA C 13 57.3 0.2 . 1 . . . . . . . . 6224 1 768 . 1 1 84 84 MET N N 15 122.4 0.2 . 1 . . . . . . . . 6224 1 769 . 1 1 86 86 PHE HA H 1 4.33 0.2 . 1 . . . . . . . . 6224 1 770 . 1 1 86 86 PHE C C 13 176.7 0.2 . 1 . . . . . . . . 6224 1 771 . 1 1 86 86 PHE CA C 13 58.4 0.2 . 1 . . . . . . . . 6224 1 772 . 1 1 86 86 PHE CB C 13 40.3 0.2 . 1 . . . . . . . . 6224 1 773 . 1 1 87 87 ILE H H 1 7.08 0.02 . 1 . . . . . . . . 6224 1 774 . 1 1 87 87 ILE HA H 1 4.68 0.05 . 1 . . . . . . . . 6224 1 775 . 1 1 87 87 ILE HB H 1 2.00 0.05 . 1 . . . . . . . . 6224 1 776 . 1 1 87 87 ILE HG21 H 1 0.75 0.05 . 1 . . . . . . . . 6224 1 777 . 1 1 87 87 ILE HG22 H 1 0.75 0.05 . 1 . . . . . . . . 6224 1 778 . 1 1 87 87 ILE HG23 H 1 0.75 0.05 . 1 . . . . . . . . 6224 1 779 . 1 1 87 87 ILE HD11 H 1 0.60 0.05 . 1 . . . . . . . . 6224 1 780 . 1 1 87 87 ILE HD12 H 1 0.60 0.05 . 1 . . . . . . . . 6224 1 781 . 1 1 87 87 ILE HD13 H 1 0.60 0.05 . 1 . . . . . . . . 6224 1 782 . 1 1 87 87 ILE C C 13 176.3 0.2 . 1 . . . . . . . . 6224 1 783 . 1 1 87 87 ILE CA C 13 59.9 0.2 . 1 . . . . . . . . 6224 1 784 . 1 1 87 87 ILE CB C 13 40.9 0.2 . 1 . . . . . . . . 6224 1 785 . 1 1 87 87 ILE CG2 C 13 20.4 0.2 . 1 . . . . . . . . 6224 1 786 . 1 1 87 87 ILE CD1 C 13 18.6 0.2 . 1 . . . . . . . . 6224 1 787 . 1 1 87 87 ILE N N 15 111.5 0.2 . 1 . . . . . . . . 6224 1 788 . 1 1 88 88 ASP H H 1 8.3 0.02 . 1 . . . . . . . . 6224 1 789 . 1 1 88 88 ASP C C 13 176.8 0.2 . 1 . . . . . . . . 6224 1 790 . 1 1 88 88 ASP CA C 13 57.4 0.2 . 1 . . . . . . . . 6224 1 791 . 1 1 88 88 ASP CB C 13 40.9 0.2 . 1 . . . . . . . . 6224 1 792 . 1 1 88 88 ASP N N 15 129.2 0.2 . 1 . . . . . . . . 6224 1 793 . 1 1 89 89 GLY H H 1 7.40 0.02 . 1 . . . . . . . . 6224 1 794 . 1 1 89 89 GLY HA2 H 1 3.68 0.05 . 1 . . . . . . . . 6224 1 795 . 1 1 89 89 GLY HA3 H 1 3.68 0.05 . 1 . . . . . . . . 6224 1 796 . 1 1 89 89 GLY C C 13 174.9 0.2 . 1 . . . . . . . . 6224 1 797 . 1 1 89 89 GLY CA C 13 44.8 0.2 . 1 . . . . . . . . 6224 1 798 . 1 1 89 89 GLY N N 15 116.9 0.2 . 1 . . . . . . . . 6224 1 799 . 1 1 90 90 THR H H 1 7.80 0.02 . 1 . . . . . . . . 6224 1 800 . 1 1 90 90 THR HB H 1 3.81 0.05 . 1 . . . . . . . . 6224 1 801 . 1 1 90 90 THR C C 13 172.2 0.2 . 1 . . . . . . . . 6224 1 802 . 1 1 90 90 THR CA C 13 65.6 0.2 . 1 . . . . . . . . 6224 1 803 . 1 1 90 90 THR CB C 13 69.2 0.2 . 1 . . . . . . . . 6224 1 804 . 1 1 90 90 THR CG2 C 13 21.6 0.2 . 1 . . . . . . . . 6224 1 805 . 1 1 90 90 THR N N 15 124.3 0.2 . 1 . . . . . . . . 6224 1 806 . 1 1 91 91 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 6224 1 807 . 1 1 91 91 GLU C C 13 174.8 0.2 . 1 . . . . . . . . 6224 1 808 . 1 1 91 91 GLU CA C 13 54.2 0.2 . 1 . . . . . . . . 6224 1 809 . 1 1 91 91 GLU CB C 13 33.5 0.2 . 1 . . . . . . . . 6224 1 810 . 1 1 91 91 GLU CG C 13 37.8 0.2 . 1 . . . . . . . . 6224 1 811 . 1 1 91 91 GLU N N 15 130.1 0.2 . 1 . . . . . . . . 6224 1 812 . 1 1 92 92 VAL H H 1 9.02 0.02 . 1 . . . . . . . . 6224 1 813 . 1 1 92 92 VAL HG11 H 1 0.91 0.05 . 1 . . . . . . . . 6224 1 814 . 1 1 92 92 VAL HG12 H 1 0.91 0.05 . 1 . . . . . . . . 6224 1 815 . 1 1 92 92 VAL HG13 H 1 0.91 0.05 . 1 . . . . . . . . 6224 1 816 . 1 1 92 92 VAL HG21 H 1 0.91 0.05 . 1 . . . . . . . . 6224 1 817 . 1 1 92 92 VAL HG22 H 1 0.91 0.05 . 1 . . . . . . . . 6224 1 818 . 1 1 92 92 VAL HG23 H 1 0.91 0.05 . 1 . . . . . . . . 6224 1 819 . 1 1 92 92 VAL C C 13 174.4 0.2 . 1 . . . . . . . . 6224 1 820 . 1 1 92 92 VAL CA C 13 62.1 0.2 . 1 . . . . . . . . 6224 1 821 . 1 1 92 92 VAL CB C 13 32.3 0.2 . 1 . . . . . . . . 6224 1 822 . 1 1 92 92 VAL CG1 C 13 21.2 0.2 . 1 . . . . . . . . 6224 1 823 . 1 1 92 92 VAL CG2 C 13 21.2 0.2 . 1 . . . . . . . . 6224 1 824 . 1 1 92 92 VAL N N 15 134.7 0.2 . 1 . . . . . . . . 6224 1 825 . 1 1 93 93 ASP H H 1 9.01 0.02 . 1 . . . . . . . . 6224 1 826 . 1 1 93 93 ASP HB2 H 1 2.43 0.05 . 1 . . . . . . . . 6224 1 827 . 1 1 93 93 ASP HB3 H 1 2.43 0.05 . 1 . . . . . . . . 6224 1 828 . 1 1 93 93 ASP C C 13 174.6 0.2 . 1 . . . . . . . . 6224 1 829 . 1 1 93 93 ASP CA C 13 50.5 0.2 . 1 . . . . . . . . 6224 1 830 . 1 1 93 93 ASP CB C 13 45.9 0.2 . 1 . . . . . . . . 6224 1 831 . 1 1 93 93 ASP N N 15 130.9 0.2 . 1 . . . . . . . . 6224 1 832 . 1 1 94 94 PHE H H 1 8.55 0.02 . 1 . . . . . . . . 6224 1 833 . 1 1 94 94 PHE HA H 1 4.81 0.05 . 1 . . . . . . . . 6224 1 834 . 1 1 94 94 PHE C C 13 173.1 0.2 . 1 . . . . . . . . 6224 1 835 . 1 1 94 94 PHE CA C 13 57.7 0.2 . 1 . . . . . . . . 6224 1 836 . 1 1 94 94 PHE CB C 13 42.7 0.2 . 1 . . . . . . . . 6224 1 837 . 1 1 94 94 PHE N N 15 127.8 0.2 . 1 . . . . . . . . 6224 1 838 . 1 1 95 95 VAL H H 1 8.05 0.02 . 1 . . . . . . . . 6224 1 839 . 1 1 95 95 VAL HA H 1 4.09 0.05 . 1 . . . . . . . . 6224 1 840 . 1 1 95 95 VAL HB H 1 1.76 0.05 . 1 . . . . . . . . 6224 1 841 . 1 1 95 95 VAL HG11 H 1 0.55 0.05 . 1 . . . . . . . . 6224 1 842 . 1 1 95 95 VAL HG12 H 1 0.55 0.05 . 1 . . . . . . . . 6224 1 843 . 1 1 95 95 VAL HG13 H 1 0.55 0.05 . 1 . . . . . . . . 6224 1 844 . 1 1 95 95 VAL HG21 H 1 0.65 0.05 . 1 . . . . . . . . 6224 1 845 . 1 1 95 95 VAL HG22 H 1 0.65 0.05 . 1 . . . . . . . . 6224 1 846 . 1 1 95 95 VAL HG23 H 1 0.65 0.05 . 1 . . . . . . . . 6224 1 847 . 1 1 95 95 VAL C C 13 172.6 0.2 . 1 . . . . . . . . 6224 1 848 . 1 1 95 95 VAL CA C 13 59.3 0.2 . 1 . . . . . . . . 6224 1 849 . 1 1 95 95 VAL CB C 13 35.8 0.2 . 1 . . . . . . . . 6224 1 850 . 1 1 95 95 VAL CG1 C 13 21.3 0.2 . 1 . . . . . . . . 6224 1 851 . 1 1 95 95 VAL CG2 C 13 19.7 0.2 . 1 . . . . . . . . 6224 1 852 . 1 1 95 95 VAL N N 15 126.6 0.2 . 1 . . . . . . . . 6224 1 853 . 1 1 96 96 ARG H H 1 7.97 0.02 . 1 . . . . . . . . 6224 1 854 . 1 1 96 96 ARG HA H 1 4.50 0.05 . 1 . . . . . . . . 6224 1 855 . 1 1 96 96 ARG C C 13 175.6 0.2 . 1 . . . . . . . . 6224 1 856 . 1 1 96 96 ARG CA C 13 54.7 0.2 . 1 . . . . . . . . 6224 1 857 . 1 1 96 96 ARG CB C 13 30.9 0.2 . 1 . . . . . . . . 6224 1 858 . 1 1 96 96 ARG CG C 13 27.6 0.2 . 1 . . . . . . . . 6224 1 859 . 1 1 96 96 ARG CD C 13 42.7 0.2 . 1 . . . . . . . . 6224 1 860 . 1 1 96 96 ARG N N 15 125.9 0.2 . 1 . . . . . . . . 6224 1 861 . 1 1 97 97 GLU H H 1 8.26 0.02 . 1 . . . . . . . . 6224 1 862 . 1 1 97 97 GLU HA H 1 4.39 0.05 . 1 . . . . . . . . 6224 1 863 . 1 1 97 97 GLU HB2 H 1 1.84 0.05 . 1 . . . . . . . . 6224 1 864 . 1 1 97 97 GLU HB3 H 1 1.84 0.05 . 1 . . . . . . . . 6224 1 865 . 1 1 97 97 GLU HG2 H 1 2.00 0.05 . 1 . . . . . . . . 6224 1 866 . 1 1 97 97 GLU HG3 H 1 2.00 0.05 . 1 . . . . . . . . 6224 1 867 . 1 1 97 97 GLU C C 13 175.9 0.2 . 1 . . . . . . . . 6224 1 868 . 1 1 97 97 GLU CA C 13 54.9 0.2 . 1 . . . . . . . . 6224 1 869 . 1 1 97 97 GLU CB C 13 31.0 0.2 . 1 . . . . . . . . 6224 1 870 . 1 1 97 97 GLU CG C 13 36.0 0.2 . 1 . . . . . . . . 6224 1 871 . 1 1 97 97 GLU N N 15 131.6 0.2 . 1 . . . . . . . . 6224 1 872 . 1 1 98 98 GLY H H 1 8.81 0.02 . 1 . . . . . . . . 6224 1 873 . 1 1 98 98 GLY HA2 H 1 3.58 0.05 . 1 . . . . . . . . 6224 1 874 . 1 1 98 98 GLY HA3 H 1 3.96 0.05 . 1 . . . . . . . . 6224 1 875 . 1 1 98 98 GLY C C 13 175.0 0.2 . 1 . . . . . . . . 6224 1 876 . 1 1 98 98 GLY CA C 13 46.8 0.2 . 1 . . . . . . . . 6224 1 877 . 1 1 98 98 GLY N N 15 120.8 0.2 . 1 . . . . . . . . 6224 1 878 . 1 1 99 99 LEU H H 1 8.87 0.02 . 1 . . . . . . . . 6224 1 879 . 1 1 99 99 LEU HA H 1 4.25 0.05 . 1 . . . . . . . . 6224 1 880 . 1 1 99 99 LEU HB2 H 1 1.62 0.05 . 2 . . . . . . . . 6224 1 881 . 1 1 99 99 LEU HB3 H 1 1.64 0.05 . 2 . . . . . . . . 6224 1 882 . 1 1 99 99 LEU HG H 1 1.55 0.05 . 1 . . . . . . . . 6224 1 883 . 1 1 99 99 LEU HD11 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 884 . 1 1 99 99 LEU HD12 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 885 . 1 1 99 99 LEU HD13 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 886 . 1 1 99 99 LEU HD21 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 887 . 1 1 99 99 LEU HD22 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 888 . 1 1 99 99 LEU HD23 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 889 . 1 1 99 99 LEU C C 13 177.2 0.2 . 1 . . . . . . . . 6224 1 890 . 1 1 99 99 LEU CA C 13 55.4 0.2 . 1 . . . . . . . . 6224 1 891 . 1 1 99 99 LEU CB C 13 42.2 0.2 . 1 . . . . . . . . 6224 1 892 . 1 1 99 99 LEU CG C 13 27.1 0.2 . 1 . . . . . . . . 6224 1 893 . 1 1 99 99 LEU CD1 C 13 25.3 0.2 . 1 . . . . . . . . 6224 1 894 . 1 1 99 99 LEU CD2 C 13 22.8 0.2 . 1 . . . . . . . . 6224 1 895 . 1 1 99 99 LEU N N 15 131.0 0.2 . 1 . . . . . . . . 6224 1 896 . 1 1 100 100 ASN H H 1 8.00 0.02 . 1 . . . . . . . . 6224 1 897 . 1 1 100 100 ASN C C 13 173.9 0.2 . 1 . . . . . . . . 6224 1 898 . 1 1 100 100 ASN CA C 13 52.7 0.2 . 1 . . . . . . . . 6224 1 899 . 1 1 100 100 ASN CB C 13 40.2 0.2 . 1 . . . . . . . . 6224 1 900 . 1 1 100 100 ASN N N 15 122.2 0.2 . 1 . . . . . . . . 6224 1 901 . 1 1 101 101 GLN H H 1 8.42 0.02 . 1 . . . . . . . . 6224 1 902 . 1 1 101 101 GLN HA H 1 4.00 0.05 . 1 . . . . . . . . 6224 1 903 . 1 1 101 101 GLN HB2 H 1 2.08 0.05 . 1 . . . . . . . . 6224 1 904 . 1 1 101 101 GLN HB3 H 1 2.08 0.05 . 1 . . . . . . . . 6224 1 905 . 1 1 101 101 GLN HG2 H 1 2.51 0.05 . 1 . . . . . . . . 6224 1 906 . 1 1 101 101 GLN HG3 H 1 2.51 0.05 . 1 . . . . . . . . 6224 1 907 . 1 1 101 101 GLN C C 13 174.4 0.2 . 1 . . . . . . . . 6224 1 908 . 1 1 101 101 GLN CA C 13 55.1 0.2 . 1 . . . . . . . . 6224 1 909 . 1 1 101 101 GLN CB C 13 30.0 0.2 . 1 . . . . . . . . 6224 1 910 . 1 1 101 101 GLN CG C 13 34.1 0.2 . 1 . . . . . . . . 6224 1 911 . 1 1 101 101 GLN N N 15 127.3 0.2 . 1 . . . . . . . . 6224 1 912 . 1 1 101 101 GLN HE21 H 1 7.36 0.05 . 2 . . . . . . . . 6224 1 913 . 1 1 101 101 GLN HE22 H 1 6.85 0.05 . 2 . . . . . . . . 6224 1 914 . 1 1 101 101 GLN NE2 N 15 115.5 0.2 . 1 . . . . . . . . 6224 1 915 . 1 1 102 102 ILE H H 1 7.97 0.02 . 1 . . . . . . . . 6224 1 916 . 1 1 102 102 ILE CA C 13 60.1 0.2 . 1 . . . . . . . . 6224 1 917 . 1 1 102 102 ILE CB C 13 42.4 0.2 . 1 . . . . . . . . 6224 1 918 . 1 1 102 102 ILE N N 15 124.7 0.2 . 1 . . . . . . . . 6224 1 919 . 1 1 103 103 PHE HA H 1 4.54 0.05 . 1 . . . . . . . . 6224 1 920 . 1 1 103 103 PHE C C 13 175.1 0.2 . 1 . . . . . . . . 6224 1 921 . 1 1 103 103 PHE CA C 13 58.6 0.2 . 1 . . . . . . . . 6224 1 922 . 1 1 103 103 PHE CB C 13 40.8 0.2 . 1 . . . . . . . . 6224 1 923 . 1 1 104 104 LYS H H 1 7.97 0.02 . 1 . . . . . . . . 6224 1 924 . 1 1 104 104 LYS C C 13 174.4 0.2 . 1 . . . . . . . . 6224 1 925 . 1 1 104 104 LYS CA C 13 54.0 0.2 . 1 . . . . . . . . 6224 1 926 . 1 1 104 104 LYS CB C 13 36.5 0.2 . 1 . . . . . . . . 6224 1 927 . 1 1 104 104 LYS N N 15 124.7 0.2 . 1 . . . . . . . . 6224 1 928 . 1 1 105 105 PHE H H 1 8.25 0.02 . 1 . . . . . . . . 6224 1 929 . 1 1 105 105 PHE HA H 1 4.83 0.5 . 1 . . . . . . . . 6224 1 930 . 1 1 105 105 PHE C C 13 175.0 0.2 . 1 . . . . . . . . 6224 1 931 . 1 1 105 105 PHE CA C 13 55.5 0.2 . 1 . . . . . . . . 6224 1 932 . 1 1 105 105 PHE CB C 13 40.2 0.2 . 1 . . . . . . . . 6224 1 933 . 1 1 105 105 PHE N N 15 124.0 0.2 . 1 . . . . . . . . 6224 1 934 . 1 1 106 106 HIS H H 1 8.95 0.02 . 1 . . . . . . . . 6224 1 935 . 1 1 106 106 HIS HA H 1 5.03 0.05 . 1 . . . . . . . . 6224 1 936 . 1 1 106 106 HIS C C 13 173.2 0.2 . 1 . . . . . . . . 6224 1 937 . 1 1 106 106 HIS CA C 13 54.1 0.2 . 1 . . . . . . . . 6224 1 938 . 1 1 106 106 HIS CB C 13 29.9 0.2 . 1 . . . . . . . . 6224 1 939 . 1 1 106 106 HIS N N 15 128.3 0.2 . 1 . . . . . . . . 6224 1 940 . 1 1 107 107 ASN H H 1 8.75 0.02 . 1 . . . . . . . . 6224 1 941 . 1 1 107 107 ASN HA H 1 4.66 0.05 . 1 . . . . . . . . 6224 1 942 . 1 1 107 107 ASN HB2 H 1 2.59 0.05 . 2 . . . . . . . . 6224 1 943 . 1 1 107 107 ASN HB3 H 1 2.69 0.05 . 2 . . . . . . . . 6224 1 944 . 1 1 107 107 ASN C C 13 174.9 0.2 . 1 . . . . . . . . 6224 1 945 . 1 1 107 107 ASN CA C 13 49.9 0.2 . 1 . . . . . . . . 6224 1 946 . 1 1 107 107 ASN CB C 13 41.1 0.2 . 1 . . . . . . . . 6224 1 947 . 1 1 107 107 ASN N N 15 129.9 0.2 . 1 . . . . . . . . 6224 1 948 . 1 1 108 108 PRO HA H 1 4.38 0.05 . 1 . . . . . . . . 6224 1 949 . 1 1 108 108 PRO HB2 H 1 2.04 0.05 . 2 . . . . . . . . 6224 1 950 . 1 1 108 108 PRO HB3 H 1 2.31 0.05 . 2 . . . . . . . . 6224 1 951 . 1 1 108 108 PRO C C 13 177.5 0.2 . 1 . . . . . . . . 6224 1 952 . 1 1 108 108 PRO CA C 13 64.2 0.2 . 1 . . . . . . . . 6224 1 953 . 1 1 108 108 PRO CB C 13 32.2 0.2 . 1 . . . . . . . . 6224 1 954 . 1 1 108 108 PRO CG C 13 27.1 0.2 . 1 . . . . . . . . 6224 1 955 . 1 1 108 108 PRO CD C 13 51.1 02. . 1 . . . . . . . . 6224 1 956 . 1 1 109 109 LYS H H 1 8.00 0.02 . 1 . . . . . . . . 6224 1 957 . 1 1 109 109 LYS HA H 1 4.27 0.05 . 1 . . . . . . . . 6224 1 958 . 1 1 109 109 LYS HB2 H 1 1.98 0.05 . 1 . . . . . . . . 6224 1 959 . 1 1 109 109 LYS HB3 H 1 1.98 0.05 . 1 . . . . . . . . 6224 1 960 . 1 1 109 109 LYS HG2 H 1 0.81 0.05 . 1 . . . . . . . . 6224 1 961 . 1 1 109 109 LYS HG3 H 1 0.81 0.05 . 1 . . . . . . . . 6224 1 962 . 1 1 109 109 LYS HD2 H 1 1.46 0.05 . 2 . . . . . . . . 6224 1 963 . 1 1 109 109 LYS HD3 H 1 1.65 0.05 . 2 . . . . . . . . 6224 1 964 . 1 1 109 109 LYS HE2 H 1 3.00 0.05 . 2 . . . . . . . . 6224 1 965 . 1 1 109 109 LYS C C 13 176.8 0.2 . 1 . . . . . . . . 6224 1 966 . 1 1 109 109 LYS CA C 13 56.7 0.2 . 1 . . . . . . . . 6224 1 967 . 1 1 109 109 LYS CB C 13 32.4 0.2 . 1 . . . . . . . . 6224 1 968 . 1 1 109 109 LYS CG C 13 25.3 0.2 . 1 . . . . . . . . 6224 1 969 . 1 1 109 109 LYS CD C 13 29.1 0.2 . 1 . . . . . . . . 6224 1 970 . 1 1 109 109 LYS CE C 13 42.5 0.2 . 1 . . . . . . . . 6224 1 971 . 1 1 109 109 LYS N N 15 122.1 0.2 . 1 . . . . . . . . 6224 1 972 . 1 1 110 110 ALA H H 1 7.53 0.02 . 1 . . . . . . . . 6224 1 973 . 1 1 110 110 ALA HA H 1 4.41 0.05 . 1 . . . . . . . . 6224 1 974 . 1 1 110 110 ALA HB1 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 975 . 1 1 110 110 ALA HB2 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 976 . 1 1 110 110 ALA HB3 H 1 1.45 0.05 . 1 . . . . . . . . 6224 1 977 . 1 1 110 110 ALA C C 13 177.4 0.2 . 1 . . . . . . . . 6224 1 978 . 1 1 110 110 ALA CA C 13 52.2 0.2 . 1 . . . . . . . . 6224 1 979 . 1 1 110 110 ALA CB C 13 19.6 0.2 . 1 . . . . . . . . 6224 1 980 . 1 1 110 110 ALA N N 15 127.1 0.2 . 1 . . . . . . . . 6224 1 981 . 1 1 111 111 GLN H H 1 8.25 0.02 . 1 . . . . . . . . 6224 1 982 . 1 1 111 111 GLN HA H 1 4.28 0.05 . 1 . . . . . . . . 6224 1 983 . 1 1 111 111 GLN HB2 H 1 1.99 0.05 . 2 . . . . . . . . 6224 1 984 . 1 1 111 111 GLN HB3 H 1 2.11 0.05 . 2 . . . . . . . . 6224 1 985 . 1 1 111 111 GLN HG2 H 1 2.35 0.05 . 1 . . . . . . . . 6224 1 986 . 1 1 111 111 GLN HG3 H 1 2.35 0.05 . 1 . . . . . . . . 6224 1 987 . 1 1 111 111 GLN C C 13 176.0 0.2 . 1 . . . . . . . . 6224 1 988 . 1 1 111 111 GLN CA C 13 56.6 0.2 . 1 . . . . . . . . 6224 1 989 . 1 1 111 111 GLN CB C 13 29.3 0.2 . 1 . . . . . . . . 6224 1 990 . 1 1 111 111 GLN CG C 13 33.8 0.2 . 1 . . . . . . . . 6224 1 991 . 1 1 111 111 GLN N N 15 123.6 0.2 . 1 . . . . . . . . 6224 1 992 . 1 1 112 112 ASN H H 1 8.25 0.02 . 1 . . . . . . . . 6224 1 993 . 1 1 112 112 ASN HA H 1 4.67 0.05 . 1 . . . . . . . . 6224 1 994 . 1 1 112 112 ASN HB2 H 1 2.79 0.05 . 2 . . . . . . . . 6224 1 995 . 1 1 112 112 ASN HB3 H 1 2.85 0.05 . 2 . . . . . . . . 6224 1 996 . 1 1 112 112 ASN C C 13 175.3 0.2 . 1 . . . . . . . . 6224 1 997 . 1 1 112 112 ASN CA C 13 53.5 0.2 . 1 . . . . . . . . 6224 1 998 . 1 1 112 112 ASN CB C 13 39.2 0.2 . 1 . . . . . . . . 6224 1 999 . 1 1 112 112 ASN N N 15 122.7 0.2 . 1 . . . . . . . . 6224 1 1000 . 1 1 112 112 ASN HD21 H 1 7.57 0.05 . 2 . . . . . . . . 6224 1 1001 . 1 1 112 112 ASN HD22 H 1 6.89 0.05 . 2 . . . . . . . . 6224 1 1002 . 1 1 112 112 ASN ND2 N 15 117.4 0.2 . 1 . . . . . . . . 6224 1 1003 . 1 1 113 113 GLU H H 1 8.48 0.02 . 1 . . . . . . . . 6224 1 1004 . 1 1 113 113 GLU HA H 1 4.33 0.05 . 1 . . . . . . . . 6224 1 1005 . 1 1 113 113 GLU HB2 H 1 1.99 0.05 . 2 . . . . . . . . 6224 1 1006 . 1 1 113 113 GLU HB3 H 1 2.09 0.05 . 2 . . . . . . . . 6224 1 1007 . 1 1 113 113 GLU HG2 H 1 2.19 0.05 . 1 . . . . . . . . 6224 1 1008 . 1 1 113 113 GLU HG3 H 1 2.19 0.05 . 1 . . . . . . . . 6224 1 1009 . 1 1 113 113 GLU C C 13 176.6 0.2 . 1 . . . . . . . . 6224 1 1010 . 1 1 113 113 GLU CA C 13 57.1 0.2 . 1 . . . . . . . . 6224 1 1011 . 1 1 113 113 GLU CB C 13 27.8 0.2 . 1 . . . . . . . . 6224 1 1012 . 1 1 113 113 GLU CG C 13 33.9 0.2 . 1 . . . . . . . . 6224 1 1013 . 1 1 113 113 GLU N N 15 125.0 0.2 . 1 . . . . . . . . 6224 1 1014 . 1 1 114 114 CYS H H 1 8.34 0.02 . 1 . . . . . . . . 6224 1 1015 . 1 1 114 114 CYS HA H 1 4.56 0.05 . 1 . . . . . . . . 6224 1 1016 . 1 1 114 114 CYS HB2 H 1 2.95 0.05 . 1 . . . . . . . . 6224 1 1017 . 1 1 114 114 CYS HB3 H 1 2.95 0.05 . 1 . . . . . . . . 6224 1 1018 . 1 1 114 114 CYS C C 13 175.1 0.2 . 1 . . . . . . . . 6224 1 1019 . 1 1 114 114 CYS CA C 13 58.7 0.2 . 1 . . . . . . . . 6224 1 1020 . 1 1 114 114 CYS CB C 13 28.3 0.2 . 1 . . . . . . . . 6224 1 1021 . 1 1 114 114 CYS N N 15 123.1 0.2 . 1 . . . . . . . . 6224 1 1022 . 1 1 115 115 GLY H H 1 8.39 0.02 . 1 . . . . . . . . 6224 1 1023 . 1 1 115 115 GLY HA2 H 1 4.01 0.05 . 2 . . . . . . . . 6224 1 1024 . 1 1 115 115 GLY HA3 H 1 4.04 0.05 . 2 . . . . . . . . 6224 1 1025 . 1 1 115 115 GLY C C 13 174.0 0.2 . 1 . . . . . . . . 6224 1 1026 . 1 1 115 115 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 6224 1 1027 . 1 1 115 115 GLY N N 15 115.3 0.2 . 1 . . . . . . . . 6224 1 1028 . 1 1 116 116 CYS H H 1 8.25 0.02 . 1 . . . . . . . . 6224 1 1029 . 1 1 116 116 CYS HA H 1 4.58 0.05 . 1 . . . . . . . . 6224 1 1030 . 1 1 116 116 CYS HB2 H 1 2.91 0.05 . 1 . . . . . . . . 6224 1 1031 . 1 1 116 116 CYS HB3 H 1 2.91 0.05 . 1 . . . . . . . . 6224 1 1032 . 1 1 116 116 CYS C C 13 175.0 0.2 . 1 . . . . . . . . 6224 1 1033 . 1 1 116 116 CYS CA C 13 58.5 0.2 . 1 . . . . . . . . 6224 1 1034 . 1 1 116 116 CYS CB C 13 28.3 0.2 . 1 . . . . . . . . 6224 1 1035 . 1 1 116 116 CYS N N 15 122.9 0.2 . 1 . . . . . . . . 6224 1 1036 . 1 1 117 117 GLY H H 1 8.55 0.02 . 1 . . . . . . . . 6224 1 1037 . 1 1 117 117 GLY HA2 H 1 3.97 0.05 . 1 . . . . . . . . 6224 1 1038 . 1 1 117 117 GLY HA3 H 1 3.97 0.05 . 1 . . . . . . . . 6224 1 1039 . 1 1 117 117 GLY C C 13 173.9 0.2 . 1 . . . . . . . . 6224 1 1040 . 1 1 117 117 GLY CA C 13 45.5 0.2 . 1 . . . . . . . . 6224 1 1041 . 1 1 117 117 GLY N N 15 115.8 0.2 . 1 . . . . . . . . 6224 1 1042 . 1 1 118 118 GLU H H 1 8.24 0.02 . 1 . . . . . . . . 6224 1 1043 . 1 1 118 118 GLU HA H 1 4.47 0.05 . 1 . . . . . . . . 6224 1 1044 . 1 1 118 118 GLU HB2 H 1 1.91 0.05 . 1 . . . . . . . . 6224 1 1045 . 1 1 118 118 GLU HB3 H 1 1.91 0.05 . 1 . . . . . . . . 6224 1 1046 . 1 1 118 118 GLU HG2 H 1 2.19 0.05 . 1 . . . . . . . . 6224 1 1047 . 1 1 118 118 GLU HG3 H 1 2.19 0.05 . 1 . . . . . . . . 6224 1 1048 . 1 1 118 118 GLU C C 13 176.3 0.2 . 1 . . . . . . . . 6224 1 1049 . 1 1 118 118 GLU CA C 13 56.3 0.2 . 1 . . . . . . . . 6224 1 1050 . 1 1 118 118 GLU CB C 13 30.9 0.2 . 1 . . . . . . . . 6224 1 1051 . 1 1 118 118 GLU CG C 13 36.4 0.2 . 1 . . . . . . . . 6224 1 1052 . 1 1 118 118 GLU N N 15 124.9 0.2 . 1 . . . . . . . . 6224 1 1053 . 1 1 119 119 SER H H 1 8.32 0.02 . 1 . . . . . . . . 6224 1 1054 . 1 1 119 119 SER HA H 1 4.56 0.05 . 1 . . . . . . . . 6224 1 1055 . 1 1 119 119 SER HB2 H 1 3.82 0.05 . 1 . . . . . . . . 6224 1 1056 . 1 1 119 119 SER HB3 H 1 3.82 0.05 . 1 . . . . . . . . 6224 1 1057 . 1 1 119 119 SER C C 13 173.6 0.2 . 1 . . . . . . . . 6224 1 1058 . 1 1 119 119 SER CA C 13 58.0 0.2 . 1 . . . . . . . . 6224 1 1059 . 1 1 119 119 SER CB C 13 64.3 0.2 . 1 . . . . . . . . 6224 1 1060 . 1 1 119 119 SER N N 15 120.9 0.2 . 1 . . . . . . . . 6224 1 1061 . 1 1 120 120 PHE H H 1 8.33 0.02 . 1 . . . . . . . . 6224 1 1062 . 1 1 120 120 PHE HA H 1 4.83 0.05 . 1 . . . . . . . . 6224 1 1063 . 1 1 120 120 PHE HB2 H 1 3.00 0.05 . 2 . . . . . . . . 6224 1 1064 . 1 1 120 120 PHE HB3 H 1 3.14 0.05 . 2 . . . . . . . . 6224 1 1065 . 1 1 120 120 PHE C C 13 175.6 0.2 . 1 . . . . . . . . 6224 1 1066 . 1 1 120 120 PHE CA C 13 57.3 0.2 . 1 . . . . . . . . 6224 1 1067 . 1 1 120 120 PHE CB C 13 40.4 0.2 . 1 . . . . . . . . 6224 1 1068 . 1 1 120 120 PHE N N 15 125.6 0.2 . 1 . . . . . . . . 6224 1 1069 . 1 1 121 121 GLY H H 1 8.46 0.02 . 1 . . . . . . . . 6224 1 1070 . 1 1 121 121 GLY HA2 H 1 3.93 0.05 . 1 . . . . . . . . 6224 1 1071 . 1 1 121 121 GLY HA3 H 1 3.93 0.05 . 1 . . . . . . . . 6224 1 1072 . 1 1 121 121 GLY C C 13 173.0 0.2 . 1 . . . . . . . . 6224 1 1073 . 1 1 121 121 GLY CA C 13 45.3 0.2 . 1 . . . . . . . . 6224 1 1074 . 1 1 121 121 GLY N N 15 113.6 0.2 . 1 . . . . . . . . 6224 1 1075 . 1 1 122 122 VAL H H 1 8.09 0.02 . 1 . . . . . . . . 6224 1 1076 . 1 1 122 122 VAL HA H 1 4.34 0.05 . 1 . . . . . . . . 6224 1 1077 . 1 1 122 122 VAL HB H 1 2.11 0.05 . 1 . . . . . . . . 6224 1 1078 . 1 1 122 122 VAL HG11 H 1 0.95 0.05 . 1 . . . . . . . . 6224 1 1079 . 1 1 122 122 VAL HG12 H 1 0.95 0.05 . 1 . . . . . . . . 6224 1 1080 . 1 1 122 122 VAL HG13 H 1 0.95 0.05 . 1 . . . . . . . . 6224 1 1081 . 1 1 122 122 VAL HG21 H 1 0.93 0.05 . 1 . . . . . . . . 6224 1 1082 . 1 1 122 122 VAL HG22 H 1 0.93 0.05 . 1 . . . . . . . . 6224 1 1083 . 1 1 122 122 VAL HG23 H 1 0.93 0.05 . 1 . . . . . . . . 6224 1 1084 . 1 1 122 122 VAL C C 13 175.9 0.2 . 1 . . . . . . . . 6224 1 1085 . 1 1 122 122 VAL CA C 13 61.7 0.2 . 1 . . . . . . . . 6224 1 1086 . 1 1 122 122 VAL CB C 13 33.5 0.2 . 1 . . . . . . . . 6224 1 1087 . 1 1 122 122 VAL CG1 C 13 21.4 0.2 . 1 . . . . . . . . 6224 1 1088 . 1 1 122 122 VAL CG2 C 13 20.3 0.2 . 1 . . . . . . . . 6224 1 1089 . 1 1 122 122 VAL N N 15 122.4 0.2 . 1 . . . . . . . . 6224 1 1090 . 1 1 123 123 LEU H H 1 8.45 0.02 . 1 . . . . . . . . 6224 1 1091 . 1 1 123 123 LEU HA H 1 4.34 0.05 . 1 . . . . . . . . 6224 1 1092 . 1 1 123 123 LEU HB2 H 1 1.53 0.05 . 2 . . . . . . . . 6224 1 1093 . 1 1 123 123 LEU HB3 H 1 1.58 0.05 . 2 . . . . . . . . 6224 1 1094 . 1 1 123 123 LEU HD11 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 1095 . 1 1 123 123 LEU HD12 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 1096 . 1 1 123 123 LEU HD13 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 1097 . 1 1 123 123 LEU HD21 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 1098 . 1 1 123 123 LEU HD22 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 1099 . 1 1 123 123 LEU HD23 H 1 0.82 0.05 . 1 . . . . . . . . 6224 1 1100 . 1 1 123 123 LEU C C 13 176.8 0.2 . 1 . . . . . . . . 6224 1 1101 . 1 1 123 123 LEU CA C 13 55.1 0.2 . 1 . . . . . . . . 6224 1 1102 . 1 1 123 123 LEU CB C 13 42.5 0.2 . 1 . . . . . . . . 6224 1 1103 . 1 1 123 123 LEU CD1 C 13 25.0 0.2 . 1 . . . . . . . . 6224 1 1104 . 1 1 123 123 LEU CD2 C 13 24.3 0.2 . 1 . . . . . . . . 6224 1 1105 . 1 1 123 123 LEU N N 15 129.5 0.2 . 1 . . . . . . . . 6224 1 1106 . 1 1 124 124 GLU H H 1 8.41 0.02 . 1 . . . . . . . . 6224 1 1107 . 1 1 124 124 GLU HA H 1 4.25 0.05 . 1 . . . . . . . . 6224 1 1108 . 1 1 124 124 GLU HB2 H 1 1.89 0.05 . 1 . . . . . . . . 6224 1 1109 . 1 1 124 124 GLU HB3 H 1 1.89 0.05 . 1 . . . . . . . . 6224 1 1110 . 1 1 124 124 GLU HG2 H 1 2.15 0.05 . 2 . . . . . . . . 6224 1 1111 . 1 1 124 124 GLU HG3 H 1 2.21 0.05 . 2 . . . . . . . . 6224 1 1112 . 1 1 124 124 GLU C C 13 175.9 0.2 . 1 . . . . . . . . 6224 1 1113 . 1 1 124 124 GLU CA C 13 56.1 0.2 . 1 . . . . . . . . 6224 1 1114 . 1 1 124 124 GLU CB C 13 30.6 0.2 . 1 . . . . . . . . 6224 1 1115 . 1 1 124 124 GLU CG C 13 36.2 0.2 . 1 . . . . . . . . 6224 1 1116 . 1 1 124 124 GLU N N 15 127.1 0.2 . 1 . . . . . . . . 6224 1 1117 . 1 1 125 125 HIS H H 1 8.32 0.02 . 1 . . . . . . . . 6224 1 1118 . 1 1 125 125 HIS C C 13 174.8 0.2 . 1 . . . . . . . . 6224 1 1119 . 1 1 125 125 HIS N N 15 124.7 0.2 . 1 . . . . . . . . 6224 1 stop_ save_