data_4437 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4437 _Entry.Title ; Solution structure of an EGF module pair from the Plasmodium falciparum merozoite surface protein 1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 1999-10-12 _Entry.Accession_date 1999-10-12 _Entry.Last_release_date 1999-12-22 _Entry.Original_release_date 1999-12-22 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 2.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 W. MORGAN . D. . 4437 2 B. BIRDSALL . . . 4437 3 T. FRENKIEL . A. . 4437 4 M. GRADWELL . G. . 4437 5 P. BURGHAUS . A. . 4437 6 S. SYED . E.H. . 4437 7 C. UTHAIPIBULL . . . 4437 8 A. HOLDER . A. . 4437 9 J. FEENEY . . . 4437 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4437 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 607 4437 '13C chemical shifts' 339 4437 '15N chemical shifts' 105 4437 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 . . 1999-12-22 1999-10-12 original author . 4437 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4437 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 99272559 _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title ; Solution structure of an EGF module pair from the Plasmodium falciparum merozoite surface protein 1 ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Mol. Biol.' _Citation.Journal_name_full 'JOURNAL OF MOLECULAR BIOLOGY' _Citation.Journal_volume 289 _Citation.Journal_issue . _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 113 _Citation.Page_last 122 _Citation.Year 1999 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 W. MORGAN . D. . 4437 1 2 B. BIRDSALL . . . 4437 1 3 T. FRENKIEL . A. . 4437 1 4 M. GRADWELL . G. . 4437 1 5 P. BURGHAUS . A. . 4437 1 6 S. SYED . E.H. . 4437 1 7 C. UTHAIPIBULL . . . 4437 1 8 A. HOLDER . A. . 4437 1 9 J. FEENEY . . . 4437 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'EGF-LIKE DOMAIN' 4437 1 EXTRACELLULAR 4437 1 'MODULAR PROTEIN' 4437 1 'SURFACE ANTIGEN' 4437 1 'MALARIA VACCINE COMPONENT' 4437 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_MSP-1 _Assembly.Sf_category assembly _Assembly.Sf_framecode system_MSP-1 _Assembly.Entry_ID 4437 _Assembly.ID 1 _Assembly.Name 'MEROZOITE SURFACE PROTEIN 1' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'fully oxidized' _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 4437 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 MSP-1 1 $MSP-1 . . . native . . . . . 4437 1 stop_ loop_ _Bond.ID _Bond.Type _Bond.Value_order _Bond.Assembly_atom_ID_1 _Bond.Entity_assembly_ID_1 _Bond.Entity_assembly_name_1 _Bond.Entity_ID_1 _Bond.Comp_ID_1 _Bond.Comp_index_ID_1 _Bond.Seq_ID_1 _Bond.Atom_ID_1 _Bond.Assembly_atom_ID_2 _Bond.Entity_assembly_ID_2 _Bond.Entity_assembly_name_2 _Bond.Entity_ID_2 _Bond.Comp_ID_2 _Bond.Comp_index_ID_2 _Bond.Seq_ID_2 _Bond.Atom_ID_2 _Bond.Auth_entity_assembly_ID_1 _Bond.Auth_entity_assembly_name_1 _Bond.Auth_seq_ID_1 _Bond.Auth_comp_ID_1 _Bond.Auth_atom_ID_1 _Bond.Auth_entity_assembly_ID_2 _Bond.Auth_entity_assembly_name_2 _Bond.Auth_seq_ID_2 _Bond.Auth_comp_ID_2 _Bond.Auth_atom_ID_2 _Bond.Entry_ID _Bond.Assembly_ID 1 disulfide single . 1 . 1 CYS 7 7 SG . 1 . 1 CYS 18 18 SG . . . . . . . . . . 4437 1 2 disulfide single . 1 . 1 CYS 12 12 SG . 1 . 1 CYS 28 28 SG . . . . . . . . . . 4437 1 3 disulfide single . 1 . 1 CYS 30 30 SG . 1 . 1 CYS 41 41 SG . . . . . . . . . . 4437 1 4 disulfide single . 1 . 1 CYS 49 49 SG . 1 . 1 CYS 62 62 SG . . . . . . . . . . 4437 1 5 disulfide single . 1 . 1 CYS 56 56 SG . 1 . 1 CYS 76 76 SG . . . . . . . . . . 4437 1 6 disulfide single . 1 . 1 CYS 78 78 SG . 1 . 1 CYS 92 92 SG . . . . . . . . . . 4437 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID yes PDB 1CEJ . 'A Chain A, Solution Structure Of An Egf Module Pair From The Plasmodium Falciparum Merozoite Surface Protein 1' . . . . 4437 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'MEROZOITE SURFACE PROTEIN 1' system 4437 1 MSP-1 abbreviation 4437 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_MSP-1 _Entity.Sf_category entity _Entity.Sf_framecode MSP-1 _Entity.Entry_ID 4437 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'MEROZOITE SURFACE PROTEIN 1' _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 ; NISQHQCVKKQCPQNSGCFR HLDEREECKCLLNYKQEGDK CVENPNPTCNENNGGCDADA KCTEEDSGSNGKKITCECTK PDSYPLFDGIFCSSSN ; _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 96 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'fully oxidized' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11604 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details 'C-TERMINAL FRAGMENT EGF-LIKE DOMAIN PAIR' _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-24 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 1CEJ . "Solution Structure Of An Egf Module Pair From The Plasmodium Falciparum Merozoite Surface Protein 1" . . . . . 100.00 96 100.00 100.00 3.17e-61 . . . . 4437 1 2 no PDB 1OB1 . "Crystal Structure Of A Fab Complex Whith Plasmodium Falciparum Msp1-19" . . . . . 96.88 99 100.00 100.00 1.74e-59 . . . . 4437 1 3 no PDB 2FLG . "Solution Structure Of An Egf-Like Domain From The Plasmodium Falciparum Merozoite Surface Protein 1" . . . . . 50.00 49 100.00 100.00 5.21e-25 . . . . 4437 1 4 no DBJ BAA02605 . "major merozoite surface protein precursor, partial [Plasmodium falciparum]" . . . . . 100.00 569 98.96 98.96 1.27e-60 . . . . 4437 1 5 no DBJ BAA02607 . "major merozoite surface protein precursor, partial [Plasmodium falciparum]" . . . . . 100.00 569 98.96 100.00 1.02e-60 . . . . 4437 1 6 no DBJ BAA02609 . "major merozoite surface protein precursor, partial [Plasmodium falciparum]" . . . . . 100.00 569 98.96 100.00 1.05e-60 . . . . 4437 1 7 no DBJ BAA02610 . "major merozoite surface protein precursor, partial [Plasmodium falciparum]" . . . . . 100.00 569 98.96 100.00 1.12e-60 . . . . 4437 1 8 no DBJ BAA02611 . "major merozoite surface protein precursor, partial [Plasmodium falciparum]" . . . . . 100.00 569 98.96 100.00 1.02e-60 . . . . 4437 1 9 no EMBL CAA26676 . "unnamed protein product [Plasmodium falciparum]" . . . . . 100.00 1639 100.00 100.00 6.70e-60 . . . . 4437 1 10 no EMBL CAA27070 . "precursor for the major merozoite surface antigens [Plasmodium falciparum]" . . . . . 100.00 1630 100.00 100.00 6.27e-60 . . . . 4437 1 11 no EMBL CAA27446 . "unnamed protein product [Plasmodium falciparum]" . . . . . 100.00 1726 98.96 100.00 2.60e-59 . . . . 4437 1 12 no EMBL CAA33163 . "gp195 surface antigen preprotein [Plasmodium falciparum]" . . . . . 100.00 1639 100.00 100.00 6.70e-60 . . . . 4437 1 13 no EMBL CAA71607 . "msa1, partial [Plasmodium falciparum]" . . . . . 100.00 219 100.00 100.00 1.84e-63 . . . . 4437 1 14 no GB AAA29611 . "major merozoite surface antigen [Plasmodium falciparum]" . . . . . 100.00 1726 98.96 100.00 2.68e-59 . . . . 4437 1 15 no GB AAA29709 . "merozoite surface protein 1, partial [Plasmodium falciparum]" . . . . . 100.00 400 100.00 100.00 1.28e-62 . . . . 4437 1 16 no GB AAA62217 . "merozoite surface protein 1, 42 kDa C-terminal region, partial [Plasmodium falciparum]" . . . . . 96.88 373 97.85 100.00 1.81e-59 . . . . 4437 1 17 no GB AAA62218 . "merozoite surface protein 1, 42 kDa C-terminal region, partial [Plasmodium falciparum]" . . . . . 96.88 373 100.00 100.00 2.58e-60 . . . . 4437 1 18 no GB AAA62219 . "merozoite surface protein 1, 42 kDa C-terminal region, partial [Plasmodium falciparum]" . . . . . 96.88 373 100.00 100.00 2.29e-60 . . . . 4437 1 19 no SP P04932 . "RecName: Full=Merozoite surface protein 1; AltName: Full=Merozoite surface antigens; AltName: Full=PMMSA; AltName: Full=p190; F" . . . . . 100.00 1630 100.00 100.00 6.27e-60 . . . . 4437 1 20 no SP P04933 . "RecName: Full=Merozoite surface protein 1; AltName: Full=Merozoite surface antigens; AltName: Full=PMMSA; AltName: Full=p195; F" . . . . . 100.00 1639 100.00 100.00 6.70e-60 . . . . 4437 1 21 no SP P04934 . "RecName: Full=Merozoite surface protein 1; AltName: Full=Merozoite surface antigens; AltName: Full=PMMSA; AltName: Full=p195; F" . . . . . 100.00 1726 98.96 100.00 2.60e-59 . . . . 4437 1 22 no SP P19598 . "RecName: Full=Merozoite surface protein 1; AltName: Full=Merozoite surface antigens; AltName: Full=PMMSA; AltName: Full=p190; F" . . . . . 100.00 1682 100.00 100.00 5.68e-60 . . . . 4437 1 23 no SP P50495 . "RecName: Full=Merozoite surface protein 1; AltName: Full=Gp195; AltName: Full=Merozoite surface antigens; AltName: Full=PMMSA; " . . . . . 100.00 1726 98.96 100.00 2.68e-59 . . . . 4437 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'MEROZOITE SURFACE PROTEIN 1' common 4437 1 MSP-1 abbreviation 4437 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 . ASN . 4437 1 2 . ILE . 4437 1 3 . SER . 4437 1 4 . GLN . 4437 1 5 . HIS . 4437 1 6 . GLN . 4437 1 7 . CYS . 4437 1 8 . VAL . 4437 1 9 . LYS . 4437 1 10 . LYS . 4437 1 11 . GLN . 4437 1 12 . CYS . 4437 1 13 . PRO . 4437 1 14 . GLN . 4437 1 15 . ASN . 4437 1 16 . SER . 4437 1 17 . GLY . 4437 1 18 . CYS . 4437 1 19 . PHE . 4437 1 20 . ARG . 4437 1 21 . HIS . 4437 1 22 . LEU . 4437 1 23 . ASP . 4437 1 24 . GLU . 4437 1 25 . ARG . 4437 1 26 . GLU . 4437 1 27 . GLU . 4437 1 28 . CYS . 4437 1 29 . LYS . 4437 1 30 . CYS . 4437 1 31 . LEU . 4437 1 32 . LEU . 4437 1 33 . ASN . 4437 1 34 . TYR . 4437 1 35 . LYS . 4437 1 36 . GLN . 4437 1 37 . GLU . 4437 1 38 . GLY . 4437 1 39 . ASP . 4437 1 40 . LYS . 4437 1 41 . CYS . 4437 1 42 . VAL . 4437 1 43 . GLU . 4437 1 44 . ASN . 4437 1 45 . PRO . 4437 1 46 . ASN . 4437 1 47 . PRO . 4437 1 48 . THR . 4437 1 49 . CYS . 4437 1 50 . ASN . 4437 1 51 . GLU . 4437 1 52 . ASN . 4437 1 53 . ASN . 4437 1 54 . GLY . 4437 1 55 . GLY . 4437 1 56 . CYS . 4437 1 57 . ASP . 4437 1 58 . ALA . 4437 1 59 . ASP . 4437 1 60 . ALA . 4437 1 61 . LYS . 4437 1 62 . CYS . 4437 1 63 . THR . 4437 1 64 . GLU . 4437 1 65 . GLU . 4437 1 66 . ASP . 4437 1 67 . SER . 4437 1 68 . GLY . 4437 1 69 . SER . 4437 1 70 . ASN . 4437 1 71 . GLY . 4437 1 72 . LYS . 4437 1 73 . LYS . 4437 1 74 . ILE . 4437 1 75 . THR . 4437 1 76 . CYS . 4437 1 77 . GLU . 4437 1 78 . CYS . 4437 1 79 . THR . 4437 1 80 . LYS . 4437 1 81 . PRO . 4437 1 82 . ASP . 4437 1 83 . SER . 4437 1 84 . TYR . 4437 1 85 . PRO . 4437 1 86 . LEU . 4437 1 87 . PHE . 4437 1 88 . ASP . 4437 1 89 . GLY . 4437 1 90 . ILE . 4437 1 91 . PHE . 4437 1 92 . CYS . 4437 1 93 . SER . 4437 1 94 . SER . 4437 1 95 . SER . 4437 1 96 . ASN . 4437 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 . ASN 1 1 4437 1 . ILE 2 2 4437 1 . SER 3 3 4437 1 . GLN 4 4 4437 1 . HIS 5 5 4437 1 . GLN 6 6 4437 1 . CYS 7 7 4437 1 . VAL 8 8 4437 1 . LYS 9 9 4437 1 . LYS 10 10 4437 1 . GLN 11 11 4437 1 . CYS 12 12 4437 1 . PRO 13 13 4437 1 . GLN 14 14 4437 1 . ASN 15 15 4437 1 . SER 16 16 4437 1 . GLY 17 17 4437 1 . CYS 18 18 4437 1 . PHE 19 19 4437 1 . ARG 20 20 4437 1 . HIS 21 21 4437 1 . LEU 22 22 4437 1 . ASP 23 23 4437 1 . GLU 24 24 4437 1 . ARG 25 25 4437 1 . GLU 26 26 4437 1 . GLU 27 27 4437 1 . CYS 28 28 4437 1 . LYS 29 29 4437 1 . CYS 30 30 4437 1 . LEU 31 31 4437 1 . LEU 32 32 4437 1 . ASN 33 33 4437 1 . TYR 34 34 4437 1 . LYS 35 35 4437 1 . GLN 36 36 4437 1 . GLU 37 37 4437 1 . GLY 38 38 4437 1 . ASP 39 39 4437 1 . LYS 40 40 4437 1 . CYS 41 41 4437 1 . VAL 42 42 4437 1 . GLU 43 43 4437 1 . ASN 44 44 4437 1 . PRO 45 45 4437 1 . ASN 46 46 4437 1 . PRO 47 47 4437 1 . THR 48 48 4437 1 . CYS 49 49 4437 1 . ASN 50 50 4437 1 . GLU 51 51 4437 1 . ASN 52 52 4437 1 . ASN 53 53 4437 1 . GLY 54 54 4437 1 . GLY 55 55 4437 1 . CYS 56 56 4437 1 . ASP 57 57 4437 1 . ALA 58 58 4437 1 . ASP 59 59 4437 1 . ALA 60 60 4437 1 . LYS 61 61 4437 1 . CYS 62 62 4437 1 . THR 63 63 4437 1 . GLU 64 64 4437 1 . GLU 65 65 4437 1 . ASP 66 66 4437 1 . SER 67 67 4437 1 . GLY 68 68 4437 1 . SER 69 69 4437 1 . ASN 70 70 4437 1 . GLY 71 71 4437 1 . LYS 72 72 4437 1 . LYS 73 73 4437 1 . ILE 74 74 4437 1 . THR 75 75 4437 1 . CYS 76 76 4437 1 . GLU 77 77 4437 1 . CYS 78 78 4437 1 . THR 79 79 4437 1 . LYS 80 80 4437 1 . PRO 81 81 4437 1 . ASP 82 82 4437 1 . SER 83 83 4437 1 . TYR 84 84 4437 1 . PRO 85 85 4437 1 . LEU 86 86 4437 1 . PHE 87 87 4437 1 . ASP 88 88 4437 1 . GLY 89 89 4437 1 . ILE 90 90 4437 1 . PHE 91 91 4437 1 . CYS 92 92 4437 1 . SER 93 93 4437 1 . SER 94 94 4437 1 . SER 95 95 4437 1 . ASN 96 96 4437 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 4437 _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 $MSP-1 . 5833 . . 'PLASMODIUM FALCIPARUM' 'malaria parasite P. falciparum' . . Eukaryota . PLASMODIUM FALCIPARUM T9/94 . . . . . . 'MEROZOITE STAGE' . . . . EXTRACELLULAR . . . MSP-1 . GPI-ANCHOR . . 4437 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 4437 _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 $MSP-1 . 'recombinant technology' 'PICHIA(KOMAGATAELLA) PASTORIS' 'PICHIA PASTORIS' . . PICHIA(KOMAGATAELLA) PASTORIS SMD1168 . . . . . . . . . . . . PLASMID . . PIC9K . . . . . . 4437 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4437 _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 'MEROZOITE SURFACE PROTEIN 1' . . . 1 $MSP-1 . . . 2.1 2.6 mM . . . . 4437 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4437 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 6.5 0.1 n/a 4437 1 temperature 298 0.5 K 4437 1 'ionic strength' 0.35 . M 4437 1 pressure 1 . atm 4437 1 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_NMR_spectrometer1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer1 _NMR_spectrometer.Entry_ID 4437 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4437 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Unity-Plus _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4437 _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_spectrometer1 Varian Unity . 600 . . . 4437 1 2 NMR_spectrometer2 Varian Unity-Plus . 500 . . . 4437 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 4437 _Experiment_list.ID 1 _Experiment_list.Details ; EXPERIMENTAL DETAILS ARE AVAILABLE AS SUPPLEMENTARY MATERIAL TO THE ARTICLE CITED, AT JMB-Online, www.academicpress.com/jmb. ; 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-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 2 2D-ROESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 3 3D-[15N]NOESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 4 3D-{15N]ROESY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 5 3D-[13C]HMQC-NOESY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 6 4D-[13C]HMQC-NOESY-[13C]HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 7 4D-[13C]HMQC-NOESY-[15N]HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 8 2D-DQF-COSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 9 3D-HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 10 3D-HNHB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 11 3D-HN(C0)HB . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 12 2D-[15N][13Cgamma]-SPINECHO-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 13 2D-[13C'][13Cgamma]-SPINECHO-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 14 3D-LRCH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 15 2D-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 16 2D-[15N]HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 17 2D-[13C]HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 18 3D-[15N]-TOCSY-HSQC . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 19 3D-HCCH-TOCSY . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 20 3D-CBCA(CO)NH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 21 3D-CBCANH . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 1 22 3D-HNCO . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4437 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 4437 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 2D-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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 4437 _NMR_spec_expt.ID 2 _NMR_spec_expt.Name 2D-ROESY _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 4437 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 3D-[15N]NOESY-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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name 3D-{15N]ROESY-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_5 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_5 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 5 _NMR_spec_expt.Name 3D-[13C]HMQC-NOESY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_6 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_6 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 6 _NMR_spec_expt.Name 4D-[13C]HMQC-NOESY-[13C]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_7 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_7 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 7 _NMR_spec_expt.Name 4D-[13C]HMQC-NOESY-[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_8 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_8 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 8 _NMR_spec_expt.Name 2D-DQF-COSY _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 4437 _NMR_spec_expt.ID 9 _NMR_spec_expt.Name 3D-HNHA _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 4437 _NMR_spec_expt.ID 10 _NMR_spec_expt.Name 3D-HNHB _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_11 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_11 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 11 _NMR_spec_expt.Name 3D-HN(C0)HB _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_12 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_12 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 12 _NMR_spec_expt.Name 2D-[15N][13Cgamma]-SPINECHO-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_13 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_13 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 13 _NMR_spec_expt.Name 2D-[13C'][13Cgamma]-SPINECHO-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_14 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_14 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 14 _NMR_spec_expt.Name 3D-LRCH _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_15 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_15 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 15 _NMR_spec_expt.Name 2D-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_16 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_16 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 16 _NMR_spec_expt.Name 2D-[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_17 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_17 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 17 _NMR_spec_expt.Name 2D-[13C]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_18 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_18 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 18 _NMR_spec_expt.Name 3D-[15N]-TOCSY-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_19 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_19 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 19 _NMR_spec_expt.Name 3D-HCCH-TOCSY _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _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_20 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_20 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 20 _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_21 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_21 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 21 _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_22 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_22 _NMR_spec_expt.Entry_ID 4437 _NMR_spec_expt.ID 22 _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_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chem_shift_ref _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chem_shift_ref _Chem_shift_reference.Entry_ID 4437 _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 . . . . . . . . . 4437 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4437 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4437 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_chem_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_set_1 _Assigned_chem_shift_list.Entry_ID 4437 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chem_shift_ref _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 ; PROTECTED BACKBONE AMIDE GROUPS (SLOWLY EXCHANGING IN D2O) FOR RESIDUES: GLY 17 , PHE 19 , GLU 27 , LYS 29 , LEU 31 , TYR 34 , LYS 35 , VAL 42 , CYS 56 , ASP 57 , ALA 60 , LYS 61 , THR 63 , THR 75 , GLU 77 , LEU 86 , GLY 89 , ILE 90 , PHE 91 BROAD HN SIGNALS IN [15-N]-HSQC OBSERVED FOR RESIDUES: VAL 8 , LYS 9 , LYS 10 , CYS 18 , ARG 20 TWO BACKBONE HN CROSSPEAKS OBSERVED FOR RESIDUES: HIS 5 : 7.78,113.8 / 7.74,113.5 GLN 6 : 7.44,122.6 / 7.40,122.4 TWO AVERAGED NH*/HH* SIGNALS OBSERVED FOR RESIDUES: ARG 20 , ARG 25 : NOT SPECIFICALLY ASSIGNED TO INDIVIDUAL ARGININES LYS 29 NZ/HZ* SIGNAL: TENTATIVELY ASSIGNED TO LYS 29 (BURIED LYSINE SIDE CHAIN) BASED ON GREATER PROTECTION FROM H2O EXCHANGE THAN OTHER LYSINE NZ/HZ* SIGNALS ASPARAGINE SIDE CHAIN AMIDE SIGNALS: PROBABLE OVERLAPPING CROSSPEAKS ~112 PPM [15-N] FOR ASN 1 , ASN 70 , ASN 96 ; _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 . 4437 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 ASN H H 1 8.29 0.02 . 1 . . . . . . . . 4437 1 2 . 1 1 1 1 ASN HA H 1 4.60 0.02 . 1 . . . . . . . . 4437 1 3 . 1 1 1 1 ASN HB2 H 1 2.86 0.02 . 2 . . . . . . . . 4437 1 4 . 1 1 1 1 ASN HB3 H 1 2.75 0.02 . 2 . . . . . . . . 4437 1 5 . 1 1 1 1 ASN CA C 13 55.5 0.6 . 1 . . . . . . . . 4437 1 6 . 1 1 1 1 ASN CB C 13 40.9 0.6 . 1 . . . . . . . . 4437 1 7 . 1 1 1 1 ASN N N 15 125.8 0.3 . 1 . . . . . . . . 4437 1 8 . 1 1 2 2 ILE H H 1 8.29 0.02 . 1 . . . . . . . . 4437 1 9 . 1 1 2 2 ILE HA H 1 4.25 0.02 . 1 . . . . . . . . 4437 1 10 . 1 1 2 2 ILE HB H 1 1.97 0.02 . 1 . . . . . . . . 4437 1 11 . 1 1 2 2 ILE HG12 H 1 1.39 0.02 . 2 . . . . . . . . 4437 1 12 . 1 1 2 2 ILE HG13 H 1 1.19 0.02 . 2 . . . . . . . . 4437 1 13 . 1 1 2 2 ILE HG21 H 1 0.92 0.02 . 1 . . . . . . . . 4437 1 14 . 1 1 2 2 ILE HG22 H 1 0.92 0.02 . 1 . . . . . . . . 4437 1 15 . 1 1 2 2 ILE HG23 H 1 0.92 0.02 . 1 . . . . . . . . 4437 1 16 . 1 1 2 2 ILE HD11 H 1 0.81 0.02 . 1 . . . . . . . . 4437 1 17 . 1 1 2 2 ILE HD12 H 1 0.81 0.02 . 1 . . . . . . . . 4437 1 18 . 1 1 2 2 ILE HD13 H 1 0.81 0.02 . 1 . . . . . . . . 4437 1 19 . 1 1 2 2 ILE C C 13 173.8 0.6 . 1 . . . . . . . . 4437 1 20 . 1 1 2 2 ILE CA C 13 62.2 0.6 . 1 . . . . . . . . 4437 1 21 . 1 1 2 2 ILE CB C 13 38.7 0.6 . 1 . . . . . . . . 4437 1 22 . 1 1 2 2 ILE CG1 C 13 27.5 0.6 . 1 . . . . . . . . 4437 1 23 . 1 1 2 2 ILE CG2 C 13 18.2 0.6 . 1 . . . . . . . . 4437 1 24 . 1 1 2 2 ILE CD1 C 13 13.7 0.6 . 1 . . . . . . . . 4437 1 25 . 1 1 2 2 ILE N N 15 121.1 0.3 . 1 . . . . . . . . 4437 1 26 . 1 1 3 3 SER H H 1 8.47 0.02 . 1 . . . . . . . . 4437 1 27 . 1 1 3 3 SER HA H 1 4.20 0.02 . 1 . . . . . . . . 4437 1 28 . 1 1 3 3 SER HB2 H 1 3.90 0.02 . 1 . . . . . . . . 4437 1 29 . 1 1 3 3 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 4437 1 30 . 1 1 3 3 SER CA C 13 60.9 0.6 . 1 . . . . . . . . 4437 1 31 . 1 1 3 3 SER CB C 13 63.3 0.6 . 1 . . . . . . . . 4437 1 32 . 1 1 3 3 SER N N 15 119.3 0.3 . 1 . . . . . . . . 4437 1 33 . 1 1 4 4 GLN H H 1 8.32 0.02 . 1 . . . . . . . . 4437 1 34 . 1 1 4 4 GLN HA H 1 4.02 0.02 . 1 . . . . . . . . 4437 1 35 . 1 1 4 4 GLN HB2 H 1 1.88 0.02 . 1 . . . . . . . . 4437 1 36 . 1 1 4 4 GLN HB3 H 1 1.88 0.02 . 1 . . . . . . . . 4437 1 37 . 1 1 4 4 GLN HG2 H 1 1.75 0.02 . 1 . . . . . . . . 4437 1 38 . 1 1 4 4 GLN HG3 H 1 1.75 0.02 . 1 . . . . . . . . 4437 1 39 . 1 1 4 4 GLN CA C 13 57.7 0.6 . 1 . . . . . . . . 4437 1 40 . 1 1 4 4 GLN CB C 13 27.9 0.6 . 1 . . . . . . . . 4437 1 41 . 1 1 4 4 GLN CG C 13 32.7 0.6 . 1 . . . . . . . . 4437 1 42 . 1 1 4 4 GLN N N 15 121.6 0.3 . 1 . . . . . . . . 4437 1 43 . 1 1 5 5 HIS H H 1 7.76 0.02 . 9 . . . . . . . . 4437 1 44 . 1 1 5 5 HIS HA H 1 5.09 0.02 . 1 . . . . . . . . 4437 1 45 . 1 1 5 5 HIS HB2 H 1 2.70 0.02 . 1 . . . . . . . . 4437 1 46 . 1 1 5 5 HIS HB3 H 1 2.70 0.02 . 1 . . . . . . . . 4437 1 47 . 1 1 5 5 HIS HD2 H 1 6.87 0.02 . 1 . . . . . . . . 4437 1 48 . 1 1 5 5 HIS HE1 H 1 7.92 0.02 . 1 . . . . . . . . 4437 1 49 . 1 1 5 5 HIS C C 13 175.7 0.6 . 1 . . . . . . . . 4437 1 50 . 1 1 5 5 HIS CA C 13 54.8 0.6 . 1 . . . . . . . . 4437 1 51 . 1 1 5 5 HIS CB C 13 29.2 0.6 . 1 . . . . . . . . 4437 1 52 . 1 1 5 5 HIS N N 15 113.6 0.3 . 9 . . . . . . . . 4437 1 53 . 1 1 6 6 GLN H H 1 7.42 0.02 . 9 . . . . . . . . 4437 1 54 . 1 1 6 6 GLN HA H 1 4.43 0.02 . 1 . . . . . . . . 4437 1 55 . 1 1 6 6 GLN HB2 H 1 2.05 0.02 . 1 . . . . . . . . 4437 1 56 . 1 1 6 6 GLN HB3 H 1 2.05 0.02 . 1 . . . . . . . . 4437 1 57 . 1 1 6 6 GLN HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4437 1 58 . 1 1 6 6 GLN HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4437 1 59 . 1 1 6 6 GLN HE21 H 1 7.59 0.02 . 5 . . . . . . . . 4437 1 60 . 1 1 6 6 GLN HE22 H 1 6.92 0.02 . 5 . . . . . . . . 4437 1 61 . 1 1 6 6 GLN C C 13 175.7 0.6 . 1 . . . . . . . . 4437 1 62 . 1 1 6 6 GLN CA C 13 55.1 0.6 . 1 . . . . . . . . 4437 1 63 . 1 1 6 6 GLN CB C 13 28.8 0.6 . 1 . . . . . . . . 4437 1 64 . 1 1 6 6 GLN CG C 13 33.8 0.6 . 1 . . . . . . . . 4437 1 65 . 1 1 6 6 GLN N N 15 122.5 0.3 . 9 . . . . . . . . 4437 1 66 . 1 1 6 6 GLN NE2 N 15 112.6 0.3 . 5 . . . . . . . . 4437 1 67 . 1 1 7 7 CYS H H 1 9.18 0.02 . 1 . . . . . . . . 4437 1 68 . 1 1 7 7 CYS HA H 1 4.09 0.02 . 1 . . . . . . . . 4437 1 69 . 1 1 7 7 CYS HB2 H 1 3.31 0.02 . 2 . . . . . . . . 4437 1 70 . 1 1 7 7 CYS HB3 H 1 3.11 0.02 . 2 . . . . . . . . 4437 1 71 . 1 1 7 7 CYS C C 13 174.4 0.6 . 1 . . . . . . . . 4437 1 72 . 1 1 7 7 CYS CA C 13 56.6 0.6 . 1 . . . . . . . . 4437 1 73 . 1 1 7 7 CYS CB C 13 42.3 0.6 . 1 . . . . . . . . 4437 1 74 . 1 1 7 7 CYS N N 15 124.5 0.3 . 1 . . . . . . . . 4437 1 75 . 1 1 8 8 VAL H H 1 10.42 0.02 . 1 . . . . . . . . 4437 1 76 . 1 1 8 8 VAL HA H 1 4.33 0.02 . 1 . . . . . . . . 4437 1 77 . 1 1 8 8 VAL HB H 1 2.15 0.02 . 1 . . . . . . . . 4437 1 78 . 1 1 8 8 VAL HG11 H 1 0.84 0.02 . 2 . . . . . . . . 4437 1 79 . 1 1 8 8 VAL HG12 H 1 0.84 0.02 . 2 . . . . . . . . 4437 1 80 . 1 1 8 8 VAL HG13 H 1 0.84 0.02 . 2 . . . . . . . . 4437 1 81 . 1 1 8 8 VAL HG21 H 1 0.82 0.02 . 2 . . . . . . . . 4437 1 82 . 1 1 8 8 VAL HG22 H 1 0.82 0.02 . 2 . . . . . . . . 4437 1 83 . 1 1 8 8 VAL HG23 H 1 0.82 0.02 . 2 . . . . . . . . 4437 1 84 . 1 1 8 8 VAL C C 13 176.6 0.6 . 1 . . . . . . . . 4437 1 85 . 1 1 8 8 VAL CA C 13 62.5 0.6 . 1 . . . . . . . . 4437 1 86 . 1 1 8 8 VAL CB C 13 34.4 0.6 . 1 . . . . . . . . 4437 1 87 . 1 1 8 8 VAL CG1 C 13 21.5 0.6 . 2 . . . . . . . . 4437 1 88 . 1 1 8 8 VAL CG2 C 13 19.7 0.6 . 2 . . . . . . . . 4437 1 89 . 1 1 8 8 VAL N N 15 119.1 0.3 . 1 . . . . . . . . 4437 1 90 . 1 1 9 9 LYS H H 1 9.42 0.02 . 1 . . . . . . . . 4437 1 91 . 1 1 9 9 LYS HA H 1 4.51 0.02 . 1 . . . . . . . . 4437 1 92 . 1 1 9 9 LYS HB2 H 1 1.81 0.02 . 4 . . . . . . . . 4437 1 93 . 1 1 9 9 LYS HB3 H 1 1.81 0.02 . 4 . . . . . . . . 4437 1 94 . 1 1 9 9 LYS HG2 H 1 1.41 0.02 . 4 . . . . . . . . 4437 1 95 . 1 1 9 9 LYS HG3 H 1 1.41 0.02 . 4 . . . . . . . . 4437 1 96 . 1 1 9 9 LYS HE2 H 1 3.33 0.02 . 1 . . . . . . . . 4437 1 97 . 1 1 9 9 LYS HE3 H 1 3.33 0.02 . 1 . . . . . . . . 4437 1 98 . 1 1 9 9 LYS CA C 13 57.7 0.6 . 1 . . . . . . . . 4437 1 99 . 1 1 9 9 LYS N N 15 124.1 0.03 . 1 . . . . . . . . 4437 1 100 . 1 1 10 10 LYS H H 1 8.94 0.02 . 1 . . . . . . . . 4437 1 101 . 1 1 10 10 LYS HA H 1 4.06 0.02 . 1 . . . . . . . . 4437 1 102 . 1 1 10 10 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . 4437 1 103 . 1 1 10 10 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 4437 1 104 . 1 1 10 10 LYS HG2 H 1 1.29 0.02 . 1 . . . . . . . . 4437 1 105 . 1 1 10 10 LYS HG3 H 1 1.29 0.02 . 1 . . . . . . . . 4437 1 106 . 1 1 10 10 LYS HD2 H 1 1.70 0.02 . 2 . . . . . . . . 4437 1 107 . 1 1 10 10 LYS HD3 H 1 1.59 0.02 . 2 . . . . . . . . 4437 1 108 . 1 1 10 10 LYS HE2 H 1 3.04 0.02 . 1 . . . . . . . . 4437 1 109 . 1 1 10 10 LYS HE3 H 1 3.04 0.02 . 1 . . . . . . . . 4437 1 110 . 1 1 10 10 LYS CA C 13 57.1 0.6 . 1 . . . . . . . . 4437 1 111 . 1 1 10 10 LYS CB C 13 34.3 0.6 . 1 . . . . . . . . 4437 1 112 . 1 1 10 10 LYS CG C 13 25.6 0.6 . 1 . . . . . . . . 4437 1 113 . 1 1 10 10 LYS CD C 13 29.6 0.6 . 1 . . . . . . . . 4437 1 114 . 1 1 10 10 LYS CE C 13 42.4 0.6 . 1 . . . . . . . . 4437 1 115 . 1 1 10 10 LYS N N 15 122.4 0.3 . 1 . . . . . . . . 4437 1 116 . 1 1 11 11 GLN HA H 1 4.47 0.02 . 1 . . . . . . . . 4437 1 117 . 1 1 11 11 GLN HB2 H 1 2.03 0.02 . 2 . . . . . . . . 4437 1 118 . 1 1 11 11 GLN HB3 H 1 1.89 0.02 . 2 . . . . . . . . 4437 1 119 . 1 1 11 11 GLN HG2 H 1 2.28 0.02 . 1 . . . . . . . . 4437 1 120 . 1 1 11 11 GLN HG3 H 1 2.28 0.02 . 1 . . . . . . . . 4437 1 121 . 1 1 11 11 GLN HE21 H 1 7.45 0.02 . 2 . . . . . . . . 4437 1 122 . 1 1 11 11 GLN HE22 H 1 6.84 0.02 . 2 . . . . . . . . 4437 1 123 . 1 1 11 11 GLN CA C 13 54.4 0.6 . 1 . . . . . . . . 4437 1 124 . 1 1 11 11 GLN CB C 13 28.7 0.6 . 1 . . . . . . . . 4437 1 125 . 1 1 11 11 GLN CG C 13 33.8 0.6 . 1 . . . . . . . . 4437 1 126 . 1 1 11 11 GLN NE2 N 15 112.9 0.3 . 1 . . . . . . . . 4437 1 127 . 1 1 12 12 CYS HA H 1 5.09 0.02 . 1 . . . . . . . . 4437 1 128 . 1 1 12 12 CYS HB2 H 1 3.49 0.02 . 2 . . . . . . . . 4437 1 129 . 1 1 12 12 CYS HB3 H 1 2.34 0.02 . 2 . . . . . . . . 4437 1 130 . 1 1 12 12 CYS CA C 13 52.4 0.6 . 1 . . . . . . . . 4437 1 131 . 1 1 12 12 CYS CB C 13 37.2 0.6 . 1 . . . . . . . . 4437 1 132 . 1 1 13 13 PRO HA H 1 4.55 0.02 . 1 . . . . . . . . 4437 1 133 . 1 1 13 13 PRO HB2 H 1 2.45 0.02 . 1 . . . . . . . . 4437 1 134 . 1 1 13 13 PRO HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4437 1 135 . 1 1 13 13 PRO HG2 H 1 1.73 0.02 . 2 . . . . . . . . 4437 1 136 . 1 1 13 13 PRO HG3 H 1 2.04 0.02 . 2 . . . . . . . . 4437 1 137 . 1 1 13 13 PRO HD2 H 1 3.43 0.02 . 2 . . . . . . . . 4437 1 138 . 1 1 13 13 PRO HD3 H 1 3.80 0.02 . 2 . . . . . . . . 4437 1 139 . 1 1 13 13 PRO C C 13 176.4 0.6 . 1 . . . . . . . . 4437 1 140 . 1 1 13 13 PRO CA C 13 62.6 0.6 . 1 . . . . . . . . 4437 1 141 . 1 1 13 13 PRO CB C 13 33.0 0.6 . 1 . . . . . . . . 4437 1 142 . 1 1 13 13 PRO CG C 13 27.5 0.6 . 1 . . . . . . . . 4437 1 143 . 1 1 13 13 PRO CD C 13 50.6 0.6 . 1 . . . . . . . . 4437 1 144 . 1 1 14 14 GLN H H 1 8.48 0.02 . 1 . . . . . . . . 4437 1 145 . 1 1 14 14 GLN HA H 1 4.01 0.02 . 1 . . . . . . . . 4437 1 146 . 1 1 14 14 GLN HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4437 1 147 . 1 1 14 14 GLN HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4437 1 148 . 1 1 14 14 GLN HG2 H 1 2.42 0.02 . 1 . . . . . . . . 4437 1 149 . 1 1 14 14 GLN HG3 H 1 2.42 0.02 . 1 . . . . . . . . 4437 1 150 . 1 1 14 14 GLN HE21 H 1 7.59 0.02 . 5 . . . . . . . . 4437 1 151 . 1 1 14 14 GLN HE22 H 1 6.92 0.02 . 5 . . . . . . . . 4437 1 152 . 1 1 14 14 GLN C C 13 176.6 0.6 . 1 . . . . . . . . 4437 1 153 . 1 1 14 14 GLN CA C 13 57.4 0.6 . 1 . . . . . . . . 4437 1 154 . 1 1 14 14 GLN CB C 13 28.6 0.6 . 1 . . . . . . . . 4437 1 155 . 1 1 14 14 GLN CG C 13 33.8 0.6 . 1 . . . . . . . . 4437 1 156 . 1 1 14 14 GLN N N 15 120.5 0.3 . 1 . . . . . . . . 4437 1 157 . 1 1 14 14 GLN NE2 N 15 112.6 0.3 . 5 . . . . . . . . 4437 1 158 . 1 1 15 15 ASN H H 1 8.93 0.02 . 1 . . . . . . . . 4437 1 159 . 1 1 15 15 ASN HA H 1 3.77 0.02 . 1 . . . . . . . . 4437 1 160 . 1 1 15 15 ASN HB2 H 1 2.58 0.02 . 1 . . . . . . . . 4437 1 161 . 1 1 15 15 ASN HB3 H 1 1.09 0.02 . 1 . . . . . . . . 4437 1 162 . 1 1 15 15 ASN HD21 H 1 6.97 0.02 . 1 . . . . . . . . 4437 1 163 . 1 1 15 15 ASN HD22 H 1 7.12 0.02 . 1 . . . . . . . . 4437 1 164 . 1 1 15 15 ASN C C 13 171.9 0.6 . 1 . . . . . . . . 4437 1 165 . 1 1 15 15 ASN CA C 13 54.6 0.6 . 1 . . . . . . . . 4437 1 166 . 1 1 15 15 ASN CB C 13 36.3 0.6 . 1 . . . . . . . . 4437 1 167 . 1 1 15 15 ASN N N 15 115.8 0.3 . 1 . . . . . . . . 4437 1 168 . 1 1 15 15 ASN ND2 N 15 115.4 0.3 . 1 . . . . . . . . 4437 1 169 . 1 1 16 16 SER H H 1 7.34 0.02 . 1 . . . . . . . . 4437 1 170 . 1 1 16 16 SER HA H 1 4.93 0.02 . 1 . . . . . . . . 4437 1 171 . 1 1 16 16 SER HB2 H 1 3.62 0.02 . 2 . . . . . . . . 4437 1 172 . 1 1 16 16 SER HB3 H 1 3.52 0.02 . 2 . . . . . . . . 4437 1 173 . 1 1 16 16 SER C C 13 173.5 0.6 . 1 . . . . . . . . 4437 1 174 . 1 1 16 16 SER CA C 13 57.5 0.6 . 1 . . . . . . . . 4437 1 175 . 1 1 16 16 SER CB C 13 67.9 0.6 . 1 . . . . . . . . 4437 1 176 . 1 1 16 16 SER N N 15 109.9 0.3 . 1 . . . . . . . . 4437 1 177 . 1 1 17 17 GLY H H 1 8.92 0.02 . 1 . . . . . . . . 4437 1 178 . 1 1 17 17 GLY HA2 H 1 3.83 0.02 . 1 . . . . . . . . 4437 1 179 . 1 1 17 17 GLY HA3 H 1 2.06 0.02 . 1 . . . . . . . . 4437 1 180 . 1 1 17 17 GLY CA C 13 42.6 0.6 . 1 . . . . . . . . 4437 1 181 . 1 1 17 17 GLY N N 15 108.5 0.3 . 1 . . . . . . . . 4437 1 182 . 1 1 18 18 CYS H H 1 7.01 0.02 . 1 . . . . . . . . 4437 1 183 . 1 1 18 18 CYS HA H 1 5.63 0.02 . 1 . . . . . . . . 4437 1 184 . 1 1 18 18 CYS HB2 H 1 3.01 0.02 . 1 . . . . . . . . 4437 1 185 . 1 1 18 18 CYS HB3 H 1 3.01 0.02 . 1 . . . . . . . . 4437 1 186 . 1 1 18 18 CYS C C 13 172.5 0.6 . 1 . . . . . . . . 4437 1 187 . 1 1 18 18 CYS CA C 13 55.8 0.6 . 1 . . . . . . . . 4437 1 188 . 1 1 18 18 CYS CB C 13 43.2 0.6 . 1 . . . . . . . . 4437 1 189 . 1 1 18 18 CYS N N 15 120.5 0.3 . 1 . . . . . . . . 4437 1 190 . 1 1 19 19 PHE H H 1 9.12 0.02 . 1 . . . . . . . . 4437 1 191 . 1 1 19 19 PHE HA H 1 4.43 0.02 . 1 . . . . . . . . 4437 1 192 . 1 1 19 19 PHE HB2 H 1 1.70 0.02 . 2 . . . . . . . . 4437 1 193 . 1 1 19 19 PHE HB3 H 1 0.62 0.02 . 2 . . . . . . . . 4437 1 194 . 1 1 19 19 PHE HD1 H 1 6.12 0.02 . 1 . . . . . . . . 4437 1 195 . 1 1 19 19 PHE HD2 H 1 6.12 0.02 . 1 . . . . . . . . 4437 1 196 . 1 1 19 19 PHE HE1 H 1 6.30 0.02 . 1 . . . . . . . . 4437 1 197 . 1 1 19 19 PHE HE2 H 1 6.30 0.02 . 1 . . . . . . . . 4437 1 198 . 1 1 19 19 PHE HZ H 1 6.37 0.02 . 1 . . . . . . . . 4437 1 199 . 1 1 19 19 PHE C C 13 172.3 0.6 . 1 . . . . . . . . 4437 1 200 . 1 1 19 19 PHE CA C 13 57.0 0.6 . 1 . . . . . . . . 4437 1 201 . 1 1 19 19 PHE CB C 13 41.7 0.6 . 1 . . . . . . . . 4437 1 202 . 1 1 19 19 PHE N N 15 132.0 0.6 . 1 . . . . . . . . 4437 1 203 . 1 1 20 20 ARG H H 1 7.76 0.02 . 1 . . . . . . . . 4437 1 204 . 1 1 20 20 ARG HA H 1 4.83 0.02 . 1 . . . . . . . . 4437 1 205 . 1 1 20 20 ARG HB2 H 1 1.26 0.02 . 2 . . . . . . . . 4437 1 206 . 1 1 20 20 ARG HB3 H 1 0.99 0.02 . 2 . . . . . . . . 4437 1 207 . 1 1 20 20 ARG HG2 H 1 1.59 0.02 . 2 . . . . . . . . 4437 1 208 . 1 1 20 20 ARG HG3 H 1 1.42 0.02 . 2 . . . . . . . . 4437 1 209 . 1 1 20 20 ARG HD2 H 1 3.35 0.02 . 2 . . . . . . . . 4437 1 210 . 1 1 20 20 ARG HD3 H 1 3.10 0.02 . 2 . . . . . . . . 4437 1 211 . 1 1 20 20 ARG HE H 1 7.18 0.02 . 1 . . . . . . . . 4437 1 212 . 1 1 20 20 ARG HH11 H 1 6.23 0.02 . 5 . . . . . . . . 4437 1 213 . 1 1 20 20 ARG HH12 H 1 6.23 0.02 . 5 . . . . . . . . 4437 1 214 . 1 1 20 20 ARG HH21 H 1 6.23 0.02 . 5 . . . . . . . . 4437 1 215 . 1 1 20 20 ARG HH22 H 1 6.23 0.02 . 5 . . . . . . . . 4437 1 216 . 1 1 20 20 ARG C C 13 174.7 0.6 . 1 . . . . . . . . 4437 1 217 . 1 1 20 20 ARG CA C 13 54.3 0.6 . 1 . . . . . . . . 4437 1 218 . 1 1 20 20 ARG CB C 13 32.3 0.6 . 1 . . . . . . . . 4437 1 219 . 1 1 20 20 ARG CG C 13 28.0 0.6 . 1 . . . . . . . . 4437 1 220 . 1 1 20 20 ARG CD C 13 44.1 0.6 . 1 . . . . . . . . 4437 1 221 . 1 1 20 20 ARG N N 15 129.4 0.3 . 1 . . . . . . . . 4437 1 222 . 1 1 20 20 ARG NE N 15 85.0 0.3 . 1 . . . . . . . . 4437 1 223 . 1 1 20 20 ARG NH1 N 15 70.1 0.3 . 5 . . . . . . . . 4437 1 224 . 1 1 20 20 ARG NH2 N 15 70.1 0.3 . 5 . . . . . . . . 4437 1 225 . 1 1 21 21 HIS H H 1 9.30 0.02 . 1 . . . . . . . . 4437 1 226 . 1 1 21 21 HIS HA H 1 4.50 0.02 . 1 . . . . . . . . 4437 1 227 . 1 1 21 21 HIS HB2 H 1 3.52 0.02 . 2 . . . . . . . . 4437 1 228 . 1 1 21 21 HIS HB3 H 1 3.44 0.02 . 2 . . . . . . . . 4437 1 229 . 1 1 21 21 HIS HD2 H 1 7.02 0.02 . 1 . . . . . . . . 4437 1 230 . 1 1 21 21 HIS HE1 H 1 8.44 0.02 . 1 . . . . . . . . 4437 1 231 . 1 1 21 21 HIS C C 13 177.6 0.6 . 1 . . . . . . . . 4437 1 232 . 1 1 21 21 HIS CA C 13 56.4 0.6 . 1 . . . . . . . . 4437 1 233 . 1 1 21 21 HIS CB C 13 32.2 0.6 . 1 . . . . . . . . 4437 1 234 . 1 1 21 21 HIS N N 15 125.9 0.3 . 1 . . . . . . . . 4437 1 235 . 1 1 22 22 LEU H H 1 9.30 0.02 . 1 . . . . . . . . 4437 1 236 . 1 1 22 22 LEU HA H 1 4.11 0.02 . 1 . . . . . . . . 4437 1 237 . 1 1 22 22 LEU HB2 H 1 1.87 0.02 . 1 . . . . . . . . 4437 1 238 . 1 1 22 22 LEU HB3 H 1 1.65 0.02 . 1 . . . . . . . . 4437 1 239 . 1 1 22 22 LEU HG H 1 1.87 0.02 . 1 . . . . . . . . 4437 1 240 . 1 1 22 22 LEU HD11 H 1 0.77 0.02 . 2 . . . . . . . . 4437 1 241 . 1 1 22 22 LEU HD12 H 1 0.77 0.02 . 2 . . . . . . . . 4437 1 242 . 1 1 22 22 LEU HD13 H 1 0.77 0.02 . 2 . . . . . . . . 4437 1 243 . 1 1 22 22 LEU HD21 H 1 0.98 0.02 . 2 . . . . . . . . 4437 1 244 . 1 1 22 22 LEU HD22 H 1 0.98 0.02 . 2 . . . . . . . . 4437 1 245 . 1 1 22 22 LEU HD23 H 1 0.98 0.02 . 2 . . . . . . . . 4437 1 246 . 1 1 22 22 LEU C C 13 177.7 0.6 . 1 . . . . . . . . 4437 1 247 . 1 1 22 22 LEU CA C 13 57.7 0.6 . 1 . . . . . . . . 4437 1 248 . 1 1 22 22 LEU CB C 13 40.8 0.6 . 1 . . . . . . . . 4437 1 249 . 1 1 22 22 LEU CG C 13 27.6 0.6 . 1 . . . . . . . . 4437 1 250 . 1 1 22 22 LEU CD1 C 13 22.6 0.6 . 2 . . . . . . . . 4437 1 251 . 1 1 22 22 LEU CD2 C 13 25.3 0.6 . 2 . . . . . . . . 4437 1 252 . 1 1 22 22 LEU N N 15 122.0 0.3 . 1 . . . . . . . . 4437 1 253 . 1 1 23 23 ASP H H 1 7.86 0.02 . 1 . . . . . . . . 4437 1 254 . 1 1 23 23 ASP HA H 1 4.52 0.02 . 1 . . . . . . . . 4437 1 255 . 1 1 23 23 ASP HB2 H 1 3.10 0.02 . 1 . . . . . . . . 4437 1 256 . 1 1 23 23 ASP HB3 H 1 2.53 0.02 . 1 . . . . . . . . 4437 1 257 . 1 1 23 23 ASP C C 13 176.8 0.6 . 1 . . . . . . . . 4437 1 258 . 1 1 23 23 ASP CA C 13 53.6 0.6 . 1 . . . . . . . . 4437 1 259 . 1 1 23 23 ASP CB C 13 39.7 0.6 . 1 . . . . . . . . 4437 1 260 . 1 1 23 23 ASP N N 15 116.9 0.3 . 1 . . . . . . . . 4437 1 261 . 1 1 24 24 GLU H H 1 8.01 0.02 . 1 . . . . . . . . 4437 1 262 . 1 1 24 24 GLU HA H 1 3.63 0.02 . 1 . . . . . . . . 4437 1 263 . 1 1 24 24 GLU HB2 H 1 2.57 0.02 . 2 . . . . . . . . 4437 1 264 . 1 1 24 24 GLU HB3 H 1 2.17 0.02 . 2 . . . . . . . . 4437 1 265 . 1 1 24 24 GLU HG2 H 1 2.14 0.02 . 1 . . . . . . . . 4437 1 266 . 1 1 24 24 GLU HG3 H 1 2.14 0.02 . 1 . . . . . . . . 4437 1 267 . 1 1 24 24 GLU C C 13 176.1 0.6 . 1 . . . . . . . . 4437 1 268 . 1 1 24 24 GLU CA C 13 59.4 0.6 . 1 . . . . . . . . 4437 1 269 . 1 1 24 24 GLU CB C 13 27.5 0.6 . 1 . . . . . . . . 4437 1 270 . 1 1 24 24 GLU CG C 13 37.0 0.6 . 1 . . . . . . . . 4437 1 271 . 1 1 24 24 GLU N N 15 110.3 0.3 . 1 . . . . . . . . 4437 1 272 . 1 1 25 25 ARG H H 1 8.04 0.02 . 1 . . . . . . . . 4437 1 273 . 1 1 25 25 ARG HA H 1 4.24 0.02 . 1 . . . . . . . . 4437 1 274 . 1 1 25 25 ARG HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4437 1 275 . 1 1 25 25 ARG HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4437 1 276 . 1 1 25 25 ARG HG2 H 1 1.56 0.02 . 1 . . . . . . . . 4437 1 277 . 1 1 25 25 ARG HG3 H 1 1.56 0.02 . 1 . . . . . . . . 4437 1 278 . 1 1 25 25 ARG HD2 H 1 3.16 0.02 . 1 . . . . . . . . 4437 1 279 . 1 1 25 25 ARG HD3 H 1 3.16 0.02 . 1 . . . . . . . . 4437 1 280 . 1 1 25 25 ARG HE H 1 8.01 0.02 . 1 . . . . . . . . 4437 1 281 . 1 1 25 25 ARG HH11 H 1 6.71 0.02 . 5 . . . . . . . . 4437 1 282 . 1 1 25 25 ARG HH12 H 1 6.71 0.02 . 5 . . . . . . . . 4437 1 283 . 1 1 25 25 ARG HH21 H 1 6.71 0.02 . 5 . . . . . . . . 4437 1 284 . 1 1 25 25 ARG HH22 H 1 6.71 0.02 . 5 . . . . . . . . 4437 1 285 . 1 1 25 25 ARG C C 13 175.6 0.6 . 1 . . . . . . . . 4437 1 286 . 1 1 25 25 ARG CA C 13 57.8 0.6 . 1 . . . . . . . . 4437 1 287 . 1 1 25 25 ARG CB C 13 31.0 0.6 . 1 . . . . . . . . 4437 1 288 . 1 1 25 25 ARG CG C 13 28.3 0.6 . 1 . . . . . . . . 4437 1 289 . 1 1 25 25 ARG CD C 13 43.5 0.6 . 1 . . . . . . . . 4437 1 290 . 1 1 25 25 ARG N N 15 121.9 0.3 . 1 . . . . . . . . 4437 1 291 . 1 1 25 25 ARG NE N 15 85.8 0.3 . 1 . . . . . . . . 4437 1 292 . 1 1 25 25 ARG NH1 N 15 70.3 0.3 . 5 . . . . . . . . 4437 1 293 . 1 1 25 25 ARG NH2 N 15 70.3 0.3 . 5 . . . . . . . . 4437 1 294 . 1 1 26 26 GLU H H 1 8.69 0.02 . 1 . . . . . . . . 4437 1 295 . 1 1 26 26 GLU HA H 1 5.40 0.02 . 1 . . . . . . . . 4437 1 296 . 1 1 26 26 GLU HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4437 1 297 . 1 1 26 26 GLU HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4437 1 298 . 1 1 26 26 GLU HG2 H 1 2.63 0.02 . 2 . . . . . . . . 4437 1 299 . 1 1 26 26 GLU HG3 H 1 2.09 0.02 . 2 . . . . . . . . 4437 1 300 . 1 1 26 26 GLU C C 13 173.6 0.6 . 1 . . . . . . . . 4437 1 301 . 1 1 26 26 GLU CA C 13 55.6 0.6 . 1 . . . . . . . . 4437 1 302 . 1 1 26 26 GLU CB C 13 31.5 0.6 . 1 . . . . . . . . 4437 1 303 . 1 1 26 26 GLU CG C 13 37.9 0.6 . 1 . . . . . . . . 4437 1 304 . 1 1 26 26 GLU N N 15 124.3 0.3 . 1 . . . . . . . . 4437 1 305 . 1 1 27 27 GLU H H 1 9.07 0.02 . 1 . . . . . . . . 4437 1 306 . 1 1 27 27 GLU HA H 1 4.84 0.02 . 1 . . . . . . . . 4437 1 307 . 1 1 27 27 GLU HB2 H 1 2.15 0.02 . 2 . . . . . . . . 4437 1 308 . 1 1 27 27 GLU HB3 H 1 2.27 0.02 . 2 . . . . . . . . 4437 1 309 . 1 1 27 27 GLU HG2 H 1 2.48 0.02 . 2 . . . . . . . . 4437 1 310 . 1 1 27 27 GLU HG3 H 1 2.32 0.02 . 2 . . . . . . . . 4437 1 311 . 1 1 27 27 GLU C C 13 174.5 0.6 . 1 . . . . . . . . 4437 1 312 . 1 1 27 27 GLU CA C 13 54.6 0.6 . 1 . . . . . . . . 4437 1 313 . 1 1 27 27 GLU CB C 13 34.8 0.6 . 1 . . . . . . . . 4437 1 314 . 1 1 27 27 GLU CG C 13 36.5 0.6 . 1 . . . . . . . . 4437 1 315 . 1 1 27 27 GLU N N 15 123.9 0.3 . 1 . . . . . . . . 4437 1 316 . 1 1 28 28 CYS H H 1 8.88 0.02 . 1 . . . . . . . . 4437 1 317 . 1 1 28 28 CYS HA H 1 5.65 0.02 . 1 . . . . . . . . 4437 1 318 . 1 1 28 28 CYS HB2 H 1 3.00 0.02 . 2 . . . . . . . . 4437 1 319 . 1 1 28 28 CYS HB3 H 1 2.81 0.02 . 2 . . . . . . . . 4437 1 320 . 1 1 28 28 CYS C C 13 175.5 0.6 . 1 . . . . . . . . 4437 1 321 . 1 1 28 28 CYS CA C 13 53.0 0.6 . 1 . . . . . . . . 4437 1 322 . 1 1 28 28 CYS CB C 13 40.9 0.6 . 1 . . . . . . . . 4437 1 323 . 1 1 28 28 CYS N N 15 122.0 0.3 . 1 . . . . . . . . 4437 1 324 . 1 1 29 29 LYS H H 1 8.76 0.02 . 1 . . . . . . . . 4437 1 325 . 1 1 29 29 LYS HA H 1 4.56 0.02 . 1 . . . . . . . . 4437 1 326 . 1 1 29 29 LYS HB2 H 1 1.40 0.02 . 1 . . . . . . . . 4437 1 327 . 1 1 29 29 LYS HB3 H 1 1.40 0.02 . 1 . . . . . . . . 4437 1 328 . 1 1 29 29 LYS HG2 H 1 1.38 0.02 . 1 . . . . . . . . 4437 1 329 . 1 1 29 29 LYS HG3 H 1 1.38 0.02 . 1 . . . . . . . . 4437 1 330 . 1 1 29 29 LYS HD2 H 1 1.13 0.02 . 2 . . . . . . . . 4437 1 331 . 1 1 29 29 LYS HD3 H 1 0.92 0.02 . 2 . . . . . . . . 4437 1 332 . 1 1 29 29 LYS HE2 H 1 2.86 0.02 . 1 . . . . . . . . 4437 1 333 . 1 1 29 29 LYS HE3 H 1 2.86 0.02 . 1 . . . . . . . . 4437 1 334 . 1 1 29 29 LYS HZ1 H 1 7.23 0.02 . 5 . . . . . . . . 4437 1 335 . 1 1 29 29 LYS HZ2 H 1 7.23 0.02 . 5 . . . . . . . . 4437 1 336 . 1 1 29 29 LYS HZ3 H 1 7.23 0.02 . 5 . . . . . . . . 4437 1 337 . 1 1 29 29 LYS C C 13 174.6 0.6 . 1 . . . . . . . . 4437 1 338 . 1 1 29 29 LYS CA C 13 56.4 0.6 . 1 . . . . . . . . 4437 1 339 . 1 1 29 29 LYS CB C 13 38.4 0.6 . 1 . . . . . . . . 4437 1 340 . 1 1 29 29 LYS CG C 13 25.8 0.6 . 1 . . . . . . . . 4437 1 341 . 1 1 29 29 LYS CD C 13 29.6 0.6 . 1 . . . . . . . . 4437 1 342 . 1 1 29 29 LYS CE C 13 42.4 0.6 . 1 . . . . . . . . 4437 1 343 . 1 1 29 29 LYS N N 15 124.0 0.3 . 1 . . . . . . . . 4437 1 344 . 1 1 29 29 LYS NZ N 15 33.0 0.3 . 5 . . . . . . . . 4437 1 345 . 1 1 30 30 CYS H H 1 8.78 0.02 . 1 . . . . . . . . 4437 1 346 . 1 1 30 30 CYS HA H 1 4.65 0.02 . 1 . . . . . . . . 4437 1 347 . 1 1 30 30 CYS HB2 H 1 2.49 0.02 . 1 . . . . . . . . 4437 1 348 . 1 1 30 30 CYS HB3 H 1 3.01 0.02 . 1 . . . . . . . . 4437 1 349 . 1 1 30 30 CYS C C 13 173.3 0.6 . 1 . . . . . . . . 4437 1 350 . 1 1 30 30 CYS CA C 13 54.6 0.6 . 1 . . . . . . . . 4437 1 351 . 1 1 30 30 CYS CB C 13 35.9 0.6 . 1 . . . . . . . . 4437 1 352 . 1 1 30 30 CYS N N 15 121.7 0.3 . 1 . . . . . . . . 4437 1 353 . 1 1 31 31 LEU H H 1 7.81 0.02 . 1 . . . . . . . . 4437 1 354 . 1 1 31 31 LEU HA H 1 4.23 0.02 . 1 . . . . . . . . 4437 1 355 . 1 1 31 31 LEU HB2 H 1 1.39 0.02 . 1 . . . . . . . . 4437 1 356 . 1 1 31 31 LEU HB3 H 1 1.73 0.02 . 1 . . . . . . . . 4437 1 357 . 1 1 31 31 LEU HG H 1 0.94 0.02 . 1 . . . . . . . . 4437 1 358 . 1 1 31 31 LEU HD11 H 1 0.68 0.02 . 1 . . . . . . . . 4437 1 359 . 1 1 31 31 LEU HD12 H 1 0.68 0.02 . 1 . . . . . . . . 4437 1 360 . 1 1 31 31 LEU HD13 H 1 0.68 0.02 . 1 . . . . . . . . 4437 1 361 . 1 1 31 31 LEU HD21 H 1 0.77 0.02 . 1 . . . . . . . . 4437 1 362 . 1 1 31 31 LEU HD22 H 1 0.77 0.02 . 1 . . . . . . . . 4437 1 363 . 1 1 31 31 LEU HD23 H 1 0.77 0.02 . 1 . . . . . . . . 4437 1 364 . 1 1 31 31 LEU C C 13 176.2 0.6 . 1 . . . . . . . . 4437 1 365 . 1 1 31 31 LEU CA C 13 54.8 0.6 . 1 . . . . . . . . 4437 1 366 . 1 1 31 31 LEU CB C 13 42.5 0.6 . 1 . . . . . . . . 4437 1 367 . 1 1 31 31 LEU CG C 13 27.1 0.6 . 1 . . . . . . . . 4437 1 368 . 1 1 31 31 LEU CD1 C 13 26.0 0.6 . 1 . . . . . . . . 4437 1 369 . 1 1 31 31 LEU CD2 C 13 21.9 0.6 . 1 . . . . . . . . 4437 1 370 . 1 1 31 31 LEU N N 15 119.2 0.3 . 1 . . . . . . . . 4437 1 371 . 1 1 32 32 LEU H H 1 8.91 0.02 . 1 . . . . . . . . 4437 1 372 . 1 1 32 32 LEU HA H 1 4.26 0.02 . 1 . . . . . . . . 4437 1 373 . 1 1 32 32 LEU HB2 H 1 1.75 0.02 . 1 . . . . . . . . 4437 1 374 . 1 1 32 32 LEU HB3 H 1 1.32 0.02 . 1 . . . . . . . . 4437 1 375 . 1 1 32 32 LEU HG H 1 1.77 0.02 . 1 . . . . . . . . 4437 1 376 . 1 1 32 32 LEU HD11 H 1 0.96 0.02 . 1 . . . . . . . . 4437 1 377 . 1 1 32 32 LEU HD12 H 1 0.96 0.02 . 1 . . . . . . . . 4437 1 378 . 1 1 32 32 LEU HD13 H 1 0.96 0.02 . 1 . . . . . . . . 4437 1 379 . 1 1 32 32 LEU HD21 H 1 0.77 0.02 . 1 . . . . . . . . 4437 1 380 . 1 1 32 32 LEU HD22 H 1 0.77 0.02 . 1 . . . . . . . . 4437 1 381 . 1 1 32 32 LEU HD23 H 1 0.77 0.02 . 1 . . . . . . . . 4437 1 382 . 1 1 32 32 LEU C C 13 179.0 0.6 . 1 . . . . . . . . 4437 1 383 . 1 1 32 32 LEU CA C 13 56.4 0.6 . 1 . . . . . . . . 4437 1 384 . 1 1 32 32 LEU CB C 13 42.1 0.6 . 1 . . . . . . . . 4437 1 385 . 1 1 32 32 LEU CG C 13 26.9 0.6 . 1 . . . . . . . . 4437 1 386 . 1 1 32 32 LEU CD1 C 13 26.0 0.6 . 1 . . . . . . . . 4437 1 387 . 1 1 32 32 LEU CD2 C 13 23.4 0.6 . 1 . . . . . . . . 4437 1 388 . 1 1 32 32 LEU N N 15 118.4 0.3 . 1 . . . . . . . . 4437 1 389 . 1 1 33 33 ASN H H 1 8.84 0.02 . 1 . . . . . . . . 4437 1 390 . 1 1 33 33 ASN HA H 1 3.90 0.02 . 1 . . . . . . . . 4437 1 391 . 1 1 33 33 ASN HB2 H 1 3.26 0.02 . 1 . . . . . . . . 4437 1 392 . 1 1 33 33 ASN HB3 H 1 2.88 0.02 . 1 . . . . . . . . 4437 1 393 . 1 1 33 33 ASN HD21 H 1 6.86 0.02 . 1 . . . . . . . . 4437 1 394 . 1 1 33 33 ASN HD22 H 1 7.25 0.02 . 1 . . . . . . . . 4437 1 395 . 1 1 33 33 ASN C C 13 173.8 0.6 . 1 . . . . . . . . 4437 1 396 . 1 1 33 33 ASN CA C 13 56.9 0.6 . 1 . . . . . . . . 4437 1 397 . 1 1 33 33 ASN CB C 13 37.3 0.6 . 1 . . . . . . . . 4437 1 398 . 1 1 33 33 ASN N N 15 110.8 0.3 . 1 . . . . . . . . 4437 1 399 . 1 1 33 33 ASN ND2 N 15 112.0 0.3 . 1 . . . . . . . . 4437 1 400 . 1 1 34 34 TYR H H 1 8.61 0.02 . 1 . . . . . . . . 4437 1 401 . 1 1 34 34 TYR HA H 1 5.02 0.02 . 1 . . . . . . . . 4437 1 402 . 1 1 34 34 TYR HB2 H 1 3.35 0.02 . 1 . . . . . . . . 4437 1 403 . 1 1 34 34 TYR HB3 H 1 2.52 0.02 . 1 . . . . . . . . 4437 1 404 . 1 1 34 34 TYR HD1 H 1 6.74 0.02 . 1 . . . . . . . . 4437 1 405 . 1 1 34 34 TYR HD2 H 1 6.74 0.02 . 1 . . . . . . . . 4437 1 406 . 1 1 34 34 TYR HE1 H 1 6.69 0.02 . 1 . . . . . . . . 4437 1 407 . 1 1 34 34 TYR HE2 H 1 6.69 0.02 . 1 . . . . . . . . 4437 1 408 . 1 1 34 34 TYR C C 13 174.7 0.6 . 1 . . . . . . . . 4437 1 409 . 1 1 34 34 TYR CA C 13 57.6 0.6 . 1 . . . . . . . . 4437 1 410 . 1 1 34 34 TYR CB C 13 41.0 0.6 . 1 . . . . . . . . 4437 1 411 . 1 1 34 34 TYR N N 15 118.6 0.3 . 1 . . . . . . . . 4437 1 412 . 1 1 35 35 LYS H H 1 9.99 0.02 . 1 . . . . . . . . 4437 1 413 . 1 1 35 35 LYS HA H 1 4.84 0.02 . 1 . . . . . . . . 4437 1 414 . 1 1 35 35 LYS HB2 H 1 1.82 0.02 . 1 . . . . . . . . 4437 1 415 . 1 1 35 35 LYS HB3 H 1 1.59 0.02 . 1 . . . . . . . . 4437 1 416 . 1 1 35 35 LYS HG2 H 1 1.18 0.02 . 1 . . . . . . . . 4437 1 417 . 1 1 35 35 LYS HG3 H 1 1.18 0.02 . 1 . . . . . . . . 4437 1 418 . 1 1 35 35 LYS HD2 H 1 1.48 0.02 . 1 . . . . . . . . 4437 1 419 . 1 1 35 35 LYS HD3 H 1 1.48 0.02 . 1 . . . . . . . . 4437 1 420 . 1 1 35 35 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 4437 1 421 . 1 1 35 35 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 4437 1 422 . 1 1 35 35 LYS C C 13 174.1 0.6 . 1 . . . . . . . . 4437 1 423 . 1 1 35 35 LYS CA C 13 54.2 0.6 . 1 . . . . . . . . 4437 1 424 . 1 1 35 35 LYS CB C 13 36.3 0.6 . 1 . . . . . . . . 4437 1 425 . 1 1 35 35 LYS CG C 13 24.1 0.6 . 1 . . . . . . . . 4437 1 426 . 1 1 35 35 LYS CD C 13 29.6 0.6 . 1 . . . . . . . . 4437 1 427 . 1 1 35 35 LYS CE C 13 41.6 0.6 . 1 . . . . . . . . 4437 1 428 . 1 1 35 35 LYS N N 15 119.7 0.3 . 1 . . . . . . . . 4437 1 429 . 1 1 36 36 GLN H H 1 8.77 0.02 . 1 . . . . . . . . 4437 1 430 . 1 1 36 36 GLN HA H 1 4.67 0.02 . 1 . . . . . . . . 4437 1 431 . 1 1 36 36 GLN HB2 H 1 2.06 0.02 . 1 . . . . . . . . 4437 1 432 . 1 1 36 36 GLN HB3 H 1 2.06 0.02 . 1 . . . . . . . . 4437 1 433 . 1 1 36 36 GLN HG2 H 1 2.35 0.02 . 1 . . . . . . . . 4437 1 434 . 1 1 36 36 GLN HG3 H 1 2.35 0.02 . 1 . . . . . . . . 4437 1 435 . 1 1 36 36 GLN HE21 H 1 7.50 0.02 . 2 . . . . . . . . 4437 1 436 . 1 1 36 36 GLN HE22 H 1 6.55 0.02 . 2 . . . . . . . . 4437 1 437 . 1 1 36 36 GLN C C 13 176.3 0.6 . 1 . . . . . . . . 4437 1 438 . 1 1 36 36 GLN CA C 13 56.7 0.6 . 1 . . . . . . . . 4437 1 439 . 1 1 36 36 GLN CB C 13 28.6 0.6 . 1 . . . . . . . . 4437 1 440 . 1 1 36 36 GLN CG C 13 33.7 0.6 . 1 . . . . . . . . 4437 1 441 . 1 1 36 36 GLN N N 15 124.9 0.3 . 1 . . . . . . . . 4437 1 442 . 1 1 36 36 GLN NE2 N 15 110.9 0.3 . 1 . . . . . . . . 4437 1 443 . 1 1 37 37 GLU H H 1 8.96 0.02 . 1 . . . . . . . . 4437 1 444 . 1 1 37 37 GLU HA H 1 4.51 0.02 . 1 . . . . . . . . 4437 1 445 . 1 1 37 37 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4437 1 446 . 1 1 37 37 GLU HB3 H 1 1.80 0.02 . 2 . . . . . . . . 4437 1 447 . 1 1 37 37 GLU HG2 H 1 2.11 0.02 . 1 . . . . . . . . 4437 1 448 . 1 1 37 37 GLU HG3 H 1 2.11 0.02 . 1 . . . . . . . . 4437 1 449 . 1 1 37 37 GLU C C 13 176.2 0.6 . 1 . . . . . . . . 4437 1 450 . 1 1 37 37 GLU CA C 13 56.0 0.6 . 1 . . . . . . . . 4437 1 451 . 1 1 37 37 GLU CB C 13 31.9 0.6 . 1 . . . . . . . . 4437 1 452 . 1 1 37 37 GLU CG C 13 36.6 0.6 . 1 . . . . . . . . 4437 1 453 . 1 1 37 37 GLU N N 15 130.2 0.3 . 1 . . . . . . . . 4437 1 454 . 1 1 38 38 GLY H H 1 9.20 0.02 . 1 . . . . . . . . 4437 1 455 . 1 1 38 38 GLY HA2 H 1 3.69 0.02 . 1 . . . . . . . . 4437 1 456 . 1 1 38 38 GLY HA3 H 1 4.05 0.02 . 1 . . . . . . . . 4437 1 457 . 1 1 38 38 GLY C C 13 174.7 0.6 . 1 . . . . . . . . 4437 1 458 . 1 1 38 38 GLY CA C 13 47.4 0.6 . 1 . . . . . . . . 4437 1 459 . 1 1 38 38 GLY N N 15 118.4 0.3 . 1 . . . . . . . . 4437 1 460 . 1 1 39 39 ASP H H 1 8.81 0.02 . 1 . . . . . . . . 4437 1 461 . 1 1 39 39 ASP HA H 1 4.69 0.02 . 1 . . . . . . . . 4437 1 462 . 1 1 39 39 ASP HB2 H 1 2.78 0.02 . 1 . . . . . . . . 4437 1 463 . 1 1 39 39 ASP HB3 H 1 2.78 0.02 . 1 . . . . . . . . 4437 1 464 . 1 1 39 39 ASP C C 13 175.2 0.6 . 1 . . . . . . . . 4437 1 465 . 1 1 39 39 ASP CA C 13 54.2 0.6 . 1 . . . . . . . . 4437 1 466 . 1 1 39 39 ASP CB C 13 41.0 0.6 . 1 . . . . . . . . 4437 1 467 . 1 1 39 39 ASP N N 15 127.1 0.3 . 1 . . . . . . . . 4437 1 468 . 1 1 40 40 LYS H H 1 7.86 0.02 . 1 . . . . . . . . 4437 1 469 . 1 1 40 40 LYS HA H 1 4.71 0.02 . 1 . . . . . . . . 4437 1 470 . 1 1 40 40 LYS HB2 H 1 1.86 0.02 . 1 . . . . . . . . 4437 1 471 . 1 1 40 40 LYS HB3 H 1 1.86 0.02 . 1 . . . . . . . . 4437 1 472 . 1 1 40 40 LYS HG2 H 1 1.52 0.02 . 1 . . . . . . . . 4437 1 473 . 1 1 40 40 LYS HG3 H 1 1.52 0.02 . 1 . . . . . . . . 4437 1 474 . 1 1 40 40 LYS HD2 H 1 1.69 0.02 . 1 . . . . . . . . 4437 1 475 . 1 1 40 40 LYS HD3 H 1 1.69 0.02 . 1 . . . . . . . . 4437 1 476 . 1 1 40 40 LYS HE2 H 1 3.02 0.02 . 1 . . . . . . . . 4437 1 477 . 1 1 40 40 LYS HE3 H 1 3.02 0.02 . 1 . . . . . . . . 4437 1 478 . 1 1 40 40 LYS C C 13 175.4 0.6 . 1 . . . . . . . . 4437 1 479 . 1 1 40 40 LYS CA C 13 54.8 0.6 . 1 . . . . . . . . 4437 1 480 . 1 1 40 40 LYS CB C 13 36.3 0.6 . 1 . . . . . . . . 4437 1 481 . 1 1 40 40 LYS CG C 13 24.9 0.6 . 1 . . . . . . . . 4437 1 482 . 1 1 40 40 LYS CD C 13 29.0 0.6 . 1 . . . . . . . . 4437 1 483 . 1 1 40 40 LYS CE C 13 42.0 0.6 . 1 . . . . . . . . 4437 1 484 . 1 1 40 40 LYS N N 15 118.0 0.3 . 1 . . . . . . . . 4437 1 485 . 1 1 41 41 CYS H H 1 8.95 0.02 . 1 . . . . . . . . 4437 1 486 . 1 1 41 41 CYS HA H 1 5.29 0.02 . 1 . . . . . . . . 4437 1 487 . 1 1 41 41 CYS HB2 H 1 3.00 0.02 . 1 . . . . . . . . 4437 1 488 . 1 1 41 41 CYS HB3 H 1 2.58 0.02 . 1 . . . . . . . . 4437 1 489 . 1 1 41 41 CYS C C 13 174.4 0.6 . 1 . . . . . . . . 4437 1 490 . 1 1 41 41 CYS CA C 13 55.0 0.6 . 1 . . . . . . . . 4437 1 491 . 1 1 41 41 CYS CB C 13 41.9 0.6 . 1 . . . . . . . . 4437 1 492 . 1 1 41 41 CYS N N 15 119.8 0.3 . 1 . . . . . . . . 4437 1 493 . 1 1 42 42 VAL H H 1 9.35 0.02 . 1 . . . . . . . . 4437 1 494 . 1 1 42 42 VAL HA H 1 4.88 0.02 . 1 . . . . . . . . 4437 1 495 . 1 1 42 42 VAL HB H 1 2.32 0.02 . 1 . . . . . . . . 4437 1 496 . 1 1 42 42 VAL HG11 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 497 . 1 1 42 42 VAL HG12 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 498 . 1 1 42 42 VAL HG13 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 499 . 1 1 42 42 VAL HG21 H 1 0.88 0.02 . 1 . . . . . . . . 4437 1 500 . 1 1 42 42 VAL HG22 H 1 0.88 0.02 . 1 . . . . . . . . 4437 1 501 . 1 1 42 42 VAL HG23 H 1 0.88 0.02 . 1 . . . . . . . . 4437 1 502 . 1 1 42 42 VAL C C 13 175.6 0.6 . 1 . . . . . . . . 4437 1 503 . 1 1 42 42 VAL CA C 13 59.2 0.6 . 1 . . . . . . . . 4437 1 504 . 1 1 42 42 VAL CB C 13 35.2 0.6 . 1 . . . . . . . . 4437 1 505 . 1 1 42 42 VAL CG1 C 13 21.6 0.6 . 1 . . . . . . . . 4437 1 506 . 1 1 42 42 VAL CG2 C 13 19.3 0.6 . 1 . . . . . . . . 4437 1 507 . 1 1 42 42 VAL N N 15 118.7 0.3 . 1 . . . . . . . . 4437 1 508 . 1 1 43 43 GLU H H 1 9.18 0.02 . 1 . . . . . . . . 4437 1 509 . 1 1 43 43 GLU HA H 1 3.34 0.02 . 1 . . . . . . . . 4437 1 510 . 1 1 43 43 GLU HB2 H 1 1.84 0.02 . 2 . . . . . . . . 4437 1 511 . 1 1 43 43 GLU HB3 H 1 1.75 0.02 . 2 . . . . . . . . 4437 1 512 . 1 1 43 43 GLU HG2 H 1 2.15 0.02 . 2 . . . . . . . . 4437 1 513 . 1 1 43 43 GLU HG3 H 1 2.07 0.02 . 2 . . . . . . . . 4437 1 514 . 1 1 43 43 GLU C C 13 175.4 0.6 . 1 . . . . . . . . 4437 1 515 . 1 1 43 43 GLU CA C 13 59.0 0.6 . 1 . . . . . . . . 4437 1 516 . 1 1 43 43 GLU CB C 13 29.8 0.6 . 1 . . . . . . . . 4437 1 517 . 1 1 43 43 GLU CG C 13 36.8 0.6 . 1 . . . . . . . . 4437 1 518 . 1 1 43 43 GLU N N 15 123.4 0.3 . 1 . . . . . . . . 4437 1 519 . 1 1 44 44 ASN H H 1 8.25 0.02 . 1 . . . . . . . . 4437 1 520 . 1 1 44 44 ASN HA H 1 4.95 0.02 . 1 . . . . . . . . 4437 1 521 . 1 1 44 44 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4437 1 522 . 1 1 44 44 ASN HB3 H 1 1.97 0.02 . 2 . . . . . . . . 4437 1 523 . 1 1 44 44 ASN HD21 H 1 8.07 0.02 . 2 . . . . . . . . 4437 1 524 . 1 1 44 44 ASN HD22 H 1 7.24 0.02 . 2 . . . . . . . . 4437 1 525 . 1 1 44 44 ASN CA C 13 48.5 0.6 . 1 . . . . . . . . 4437 1 526 . 1 1 44 44 ASN CB C 13 39.2 0.6 . 1 . . . . . . . . 4437 1 527 . 1 1 44 44 ASN N N 15 120.2 0.3 . 1 . . . . . . . . 4437 1 528 . 1 1 44 44 ASN ND2 N 15 112.1 0.3 . 1 . . . . . . . . 4437 1 529 . 1 1 45 45 PRO HA H 1 4.40 0.02 . 1 . . . . . . . . 4437 1 530 . 1 1 45 45 PRO HB2 H 1 2.31 0.02 . 1 . . . . . . . . 4437 1 531 . 1 1 45 45 PRO HB3 H 1 1.95 0.02 . 1 . . . . . . . . 4437 1 532 . 1 1 45 45 PRO HG2 H 1 1.97 0.02 . 1 . . . . . . . . 4437 1 533 . 1 1 45 45 PRO HG3 H 1 1.97 0.02 . 1 . . . . . . . . 4437 1 534 . 1 1 45 45 PRO HD2 H 1 3.86 0.02 . 2 . . . . . . . . 4437 1 535 . 1 1 45 45 PRO HD3 H 1 3.81 0.02 . 2 . . . . . . . . 4437 1 536 . 1 1 45 45 PRO C C 13 176.2 0.6 . 1 . . . . . . . . 4437 1 537 . 1 1 45 45 PRO CA C 13 63.7 0.6 . 1 . . . . . . . . 4437 1 538 . 1 1 45 45 PRO CB C 13 32.6 0.6 . 1 . . . . . . . . 4437 1 539 . 1 1 45 45 PRO CG C 13 26.8 0.6 . 1 . . . . . . . . 4437 1 540 . 1 1 45 45 PRO CD C 13 50.9 0.6 . 1 . . . . . . . . 4437 1 541 . 1 1 46 46 ASN H H 1 7.47 0.02 . 1 . . . . . . . . 4437 1 542 . 1 1 46 46 ASN HA H 1 5.09 0.02 . 1 . . . . . . . . 4437 1 543 . 1 1 46 46 ASN HB2 H 1 2.72 0.02 . 2 . . . . . . . . 4437 1 544 . 1 1 46 46 ASN HB3 H 1 2.43 0.02 . 2 . . . . . . . . 4437 1 545 . 1 1 46 46 ASN HD21 H 1 7.57 0.02 . 1 . . . . . . . . 4437 1 546 . 1 1 46 46 ASN HD22 H 1 6.91 0.02 . 1 . . . . . . . . 4437 1 547 . 1 1 46 46 ASN CA C 13 51.6 0.6 . 1 . . . . . . . . 4437 1 548 . 1 1 46 46 ASN CB C 13 40.1 0.6 . 1 . . . . . . . . 4437 1 549 . 1 1 46 46 ASN N N 15 114.0 0.3 . 1 . . . . . . . . 4437 1 550 . 1 1 46 46 ASN ND2 N 15 112.6 0.3 . 1 . . . . . . . . 4437 1 551 . 1 1 47 47 PRO HA H 1 4.34 0.02 . 1 . . . . . . . . 4437 1 552 . 1 1 47 47 PRO HB2 H 1 1.97 0.02 . 1 . . . . . . . . 4437 1 553 . 1 1 47 47 PRO HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4437 1 554 . 1 1 47 47 PRO HG2 H 1 1.96 0.02 . 1 . . . . . . . . 4437 1 555 . 1 1 47 47 PRO HG3 H 1 1.96 0.02 . 1 . . . . . . . . 4437 1 556 . 1 1 47 47 PRO HD2 H 1 3.52 0.02 . 2 . . . . . . . . 4437 1 557 . 1 1 47 47 PRO HD3 H 1 3.39 0.02 . 2 . . . . . . . . 4437 1 558 . 1 1 47 47 PRO C C 13 175.5 0.6 . 1 . . . . . . . . 4437 1 559 . 1 1 47 47 PRO CA C 13 63.7 0.6 . 1 . . . . . . . . 4437 1 560 . 1 1 47 47 PRO CB C 13 32.4 0.6 . 1 . . . . . . . . 4437 1 561 . 1 1 47 47 PRO CG C 13 27.5 0.6 . 1 . . . . . . . . 4437 1 562 . 1 1 47 47 PRO CD C 13 49.8 0.6 . 1 . . . . . . . . 4437 1 563 . 1 1 48 48 THR H H 1 8.28 0.02 . 1 . . . . . . . . 4437 1 564 . 1 1 48 48 THR HA H 1 4.68 0.02 . 1 . . . . . . . . 4437 1 565 . 1 1 48 48 THR HB H 1 4.32 0.02 . 1 . . . . . . . . 4437 1 566 . 1 1 48 48 THR HG21 H 1 1.13 0.02 . 1 . . . . . . . . 4437 1 567 . 1 1 48 48 THR HG22 H 1 1.13 0.02 . 1 . . . . . . . . 4437 1 568 . 1 1 48 48 THR HG23 H 1 1.13 0.02 . 1 . . . . . . . . 4437 1 569 . 1 1 48 48 THR C C 13 174.5 0.6 . 1 . . . . . . . . 4437 1 570 . 1 1 48 48 THR CA C 13 59.1 0.6 . 1 . . . . . . . . 4437 1 571 . 1 1 48 48 THR CB C 13 69.9 0.6 . 1 . . . . . . . . 4437 1 572 . 1 1 48 48 THR CG2 C 13 19.3 0.6 . 1 . . . . . . . . 4437 1 573 . 1 1 48 48 THR N N 15 112.4 0.3 . 1 . . . . . . . . 4437 1 574 . 1 1 49 49 CYS H H 1 9.35 0.02 . 1 . . . . . . . . 4437 1 575 . 1 1 49 49 CYS HA H 1 4.44 0.02 . 1 . . . . . . . . 4437 1 576 . 1 1 49 49 CYS HB2 H 1 2.64 0.02 . 1 . . . . . . . . 4437 1 577 . 1 1 49 49 CYS HB3 H 1 3.14 0.02 . 1 . . . . . . . . 4437 1 578 . 1 1 49 49 CYS C C 13 175.8 0.6 . 1 . . . . . . . . 4437 1 579 . 1 1 49 49 CYS CA C 13 55.5 0.6 . 1 . . . . . . . . 4437 1 580 . 1 1 49 49 CYS CB C 13 37.7 0.6 . 1 . . . . . . . . 4437 1 581 . 1 1 49 49 CYS N N 15 125.3 0.3 . 1 . . . . . . . . 4437 1 582 . 1 1 50 50 ASN H H 1 8.36 0.02 . 1 . . . . . . . . 4437 1 583 . 1 1 50 50 ASN HA H 1 4.60 0.02 . 1 . . . . . . . . 4437 1 584 . 1 1 50 50 ASN HB2 H 1 2.88 0.02 . 1 . . . . . . . . 4437 1 585 . 1 1 50 50 ASN HB3 H 1 2.70 0.02 . 1 . . . . . . . . 4437 1 586 . 1 1 50 50 ASN HD21 H 1 7.60 0.02 . 2 . . . . . . . . 4437 1 587 . 1 1 50 50 ASN HD22 H 1 6.97 0.02 . 2 . . . . . . . . 4437 1 588 . 1 1 50 50 ASN C C 13 174.4 0.6 . 1 . . . . . . . . 4437 1 589 . 1 1 50 50 ASN CA C 13 54.8 0.6 . 1 . . . . . . . . 4437 1 590 . 1 1 50 50 ASN CB C 13 38.9 0.6 . 1 . . . . . . . . 4437 1 591 . 1 1 50 50 ASN N N 15 116.4 0.3 . 1 . . . . . . . . 4437 1 592 . 1 1 50 50 ASN ND2 N 15 113.6 0.3 . 1 . . . . . . . . 4437 1 593 . 1 1 51 51 GLU H H 1 7.43 0.02 . 1 . . . . . . . . 4437 1 594 . 1 1 51 51 GLU HA H 1 4.64 0.02 . 1 . . . . . . . . 4437 1 595 . 1 1 51 51 GLU HB2 H 1 1.96 0.02 . 2 . . . . . . . . 4437 1 596 . 1 1 51 51 GLU HB3 H 1 1.81 0.02 . 2 . . . . . . . . 4437 1 597 . 1 1 51 51 GLU HG2 H 1 2.12 0.02 . 1 . . . . . . . . 4437 1 598 . 1 1 51 51 GLU HG3 H 1 2.12 0.02 . 1 . . . . . . . . 4437 1 599 . 1 1 51 51 GLU C C 13 176.1 0.6 . 1 . . . . . . . . 4437 1 600 . 1 1 51 51 GLU CA C 13 55.3 0.6 . 1 . . . . . . . . 4437 1 601 . 1 1 51 51 GLU CB C 13 31.5 0.6 . 1 . . . . . . . . 4437 1 602 . 1 1 51 51 GLU CG C 13 36.1 0.6 . 1 . . . . . . . . 4437 1 603 . 1 1 51 51 GLU N N 15 119.2 0.3 . 1 . . . . . . . . 4437 1 604 . 1 1 52 52 ASN H H 1 9.57 0.02 . 1 . . . . . . . . 4437 1 605 . 1 1 52 52 ASN HA H 1 4.45 0.02 . 1 . . . . . . . . 4437 1 606 . 1 1 52 52 ASN HB2 H 1 3.14 0.02 . 1 . . . . . . . . 4437 1 607 . 1 1 52 52 ASN HB3 H 1 2.64 0.02 . 1 . . . . . . . . 4437 1 608 . 1 1 52 52 ASN HD21 H 1 6.99 0.02 . 1 . . . . . . . . 4437 1 609 . 1 1 52 52 ASN HD22 H 1 7.71 0.02 . 1 . . . . . . . . 4437 1 610 . 1 1 52 52 ASN C C 13 176.4 0.6 . 1 . . . . . . . . 4437 1 611 . 1 1 52 52 ASN CA C 13 54.2 0.6 . 1 . . . . . . . . 4437 1 612 . 1 1 52 52 ASN CB C 13 37.8 0.6 . 1 . . . . . . . . 4437 1 613 . 1 1 52 52 ASN N N 15 125.4 0.3 . 1 . . . . . . . . 4437 1 614 . 1 1 52 52 ASN ND2 N 15 112.8 0.3 . 1 . . . . . . . . 4437 1 615 . 1 1 53 53 ASN H H 1 9.31 0.02 . 1 . . . . . . . . 4437 1 616 . 1 1 53 53 ASN HA H 1 4.64 0.02 . 1 . . . . . . . . 4437 1 617 . 1 1 53 53 ASN HB2 H 1 3.25 0.02 . 1 . . . . . . . . 4437 1 618 . 1 1 53 53 ASN HB3 H 1 2.31 0.02 . 1 . . . . . . . . 4437 1 619 . 1 1 53 53 ASN HD21 H 1 6.95 0.02 . 1 . . . . . . . . 4437 1 620 . 1 1 53 53 ASN HD22 H 1 6.26 0.02 . 1 . . . . . . . . 4437 1 621 . 1 1 53 53 ASN C C 13 176.2 0.6 . 1 . . . . . . . . 4437 1 622 . 1 1 53 53 ASN CA C 13 54.1 0.6 . 1 . . . . . . . . 4437 1 623 . 1 1 53 53 ASN CB C 13 39.2 0.6 . 1 . . . . . . . . 4437 1 624 . 1 1 53 53 ASN N N 15 119.3 0.3 . 1 . . . . . . . . 4437 1 625 . 1 1 53 53 ASN ND2 N 15 111.6 0.3 . 1 . . . . . . . . 4437 1 626 . 1 1 54 54 GLY H H 1 7.92 0.02 . 1 . . . . . . . . 4437 1 627 . 1 1 54 54 GLY HA2 H 1 4.28 0.02 . 1 . . . . . . . . 4437 1 628 . 1 1 54 54 GLY HA3 H 1 3.67 0.02 . 1 . . . . . . . . 4437 1 629 . 1 1 54 54 GLY C C 13 173.0 0.6 . 1 . . . . . . . . 4437 1 630 . 1 1 54 54 GLY CA C 13 46.3 0.6 . 1 . . . . . . . . 4437 1 631 . 1 1 54 54 GLY N N 15 106.3 0.3 . 1 . . . . . . . . 4437 1 632 . 1 1 55 55 GLY H H 1 8.06 0.02 . 1 . . . . . . . . 4437 1 633 . 1 1 55 55 GLY HA2 H 1 4.39 0.02 . 1 . . . . . . . . 4437 1 634 . 1 1 55 55 GLY HA3 H 1 3.47 0.02 . 1 . . . . . . . . 4437 1 635 . 1 1 55 55 GLY C C 13 175.1 0.6 . 1 . . . . . . . . 4437 1 636 . 1 1 55 55 GLY CA C 13 44.4 0.6 . 1 . . . . . . . . 4437 1 637 . 1 1 55 55 GLY N N 15 105.3 0.3 . 1 . . . . . . . . 4437 1 638 . 1 1 56 56 CYS H H 1 7.77 0.02 . 1 . . . . . . . . 4437 1 639 . 1 1 56 56 CYS HA H 1 4.39 0.02 . 1 . . . . . . . . 4437 1 640 . 1 1 56 56 CYS HB2 H 1 3.12 0.02 . 1 . . . . . . . . 4437 1 641 . 1 1 56 56 CYS HB3 H 1 2.81 0.02 . 1 . . . . . . . . 4437 1 642 . 1 1 56 56 CYS C C 13 175.2 0.6 . 1 . . . . . . . . 4437 1 643 . 1 1 56 56 CYS CA C 13 53.1 0.6 . 1 . . . . . . . . 4437 1 644 . 1 1 56 56 CYS CB C 13 36.6 0.6 . 1 . . . . . . . . 4437 1 645 . 1 1 56 56 CYS N N 15 117.6 0.3 . 1 . . . . . . . . 4437 1 646 . 1 1 57 57 ASP H H 1 8.37 0.02 . 1 . . . . . . . . 4437 1 647 . 1 1 57 57 ASP HA H 1 3.98 0.02 . 1 . . . . . . . . 4437 1 648 . 1 1 57 57 ASP HB2 H 1 2.24 0.02 . 2 . . . . . . . . 4437 1 649 . 1 1 57 57 ASP HB3 H 1 2.03 0.02 . 2 . . . . . . . . 4437 1 650 . 1 1 57 57 ASP C C 13 176.0 0.6 . 1 . . . . . . . . 4437 1 651 . 1 1 57 57 ASP CA C 13 56.0 0.6 . 1 . . . . . . . . 4437 1 652 . 1 1 57 57 ASP CB C 13 45.0 0.6 . 1 . . . . . . . . 4437 1 653 . 1 1 57 57 ASP N N 15 122.3 0.3 . 1 . . . . . . . . 4437 1 654 . 1 1 58 58 ALA H H 1 8.48 0.02 . 1 . . . . . . . . 4437 1 655 . 1 1 58 58 ALA HA H 1 3.98 0.02 . 1 . . . . . . . . 4437 1 656 . 1 1 58 58 ALA HB1 H 1 1.41 0.02 . 1 . . . . . . . . 4437 1 657 . 1 1 58 58 ALA HB2 H 1 1.41 0.02 . 1 . . . . . . . . 4437 1 658 . 1 1 58 58 ALA HB3 H 1 1.41 0.02 . 1 . . . . . . . . 4437 1 659 . 1 1 58 58 ALA C C 13 178.9 0.6 . 1 . . . . . . . . 4437 1 660 . 1 1 58 58 ALA CA C 13 55.6 0.6 . 1 . . . . . . . . 4437 1 661 . 1 1 58 58 ALA CB C 13 19.1 0.6 . 1 . . . . . . . . 4437 1 662 . 1 1 58 58 ALA N N 15 127.2 0.3 . 1 . . . . . . . . 4437 1 663 . 1 1 59 59 ASP H H 1 9.11 0.02 . 1 . . . . . . . . 4437 1 664 . 1 1 59 59 ASP HA H 1 4.90 0.02 . 1 . . . . . . . . 4437 1 665 . 1 1 59 59 ASP HB2 H 1 2.44 0.02 . 1 . . . . . . . . 4437 1 666 . 1 1 59 59 ASP HB3 H 1 2.82 0.02 . 1 . . . . . . . . 4437 1 667 . 1 1 59 59 ASP C C 13 174.6 0.6 . 1 . . . . . . . . 4437 1 668 . 1 1 59 59 ASP CA C 13 53.9 0.6 . 1 . . . . . . . . 4437 1 669 . 1 1 59 59 ASP CB C 13 40.7 0.6 . 1 . . . . . . . . 4437 1 670 . 1 1 59 59 ASP N N 15 116.7 0.3 . 1 . . . . . . . . 4437 1 671 . 1 1 60 60 ALA H H 1 7.94 0.02 . 1 . . . . . . . . 4437 1 672 . 1 1 60 60 ALA HA H 1 5.13 0.02 . 1 . . . . . . . . 4437 1 673 . 1 1 60 60 ALA HB1 H 1 1.27 0.02 . 1 . . . . . . . . 4437 1 674 . 1 1 60 60 ALA HB2 H 1 1.27 0.02 . 1 . . . . . . . . 4437 1 675 . 1 1 60 60 ALA HB3 H 1 1.27 0.02 . 1 . . . . . . . . 4437 1 676 . 1 1 60 60 ALA C C 13 176.3 0.6 . 1 . . . . . . . . 4437 1 677 . 1 1 60 60 ALA CA C 13 50.5 0.6 . 1 . . . . . . . . 4437 1 678 . 1 1 60 60 ALA CB C 13 21.3 0.6 . 1 . . . . . . . . 4437 1 679 . 1 1 60 60 ALA N N 15 121.9 0.3 . 1 . . . . . . . . 4437 1 680 . 1 1 61 61 LYS H H 1 9.06 0.02 . 1 . . . . . . . . 4437 1 681 . 1 1 61 61 LYS HA H 1 4.54 0.02 . 1 . . . . . . . . 4437 1 682 . 1 1 61 61 LYS HB2 H 1 1.77 0.02 . 1 . . . . . . . . 4437 1 683 . 1 1 61 61 LYS HB3 H 1 1.77 0.02 . 1 . . . . . . . . 4437 1 684 . 1 1 61 61 LYS HG2 H 1 1.31 0.02 . 2 . . . . . . . . 4437 1 685 . 1 1 61 61 LYS HG3 H 1 1.39 0.02 . 2 . . . . . . . . 4437 1 686 . 1 1 61 61 LYS HD2 H 1 1.72 0.02 . 2 . . . . . . . . 4437 1 687 . 1 1 61 61 LYS HD3 H 1 1.63 0.02 . 2 . . . . . . . . 4437 1 688 . 1 1 61 61 LYS HE2 H 1 2.92 0.02 . 1 . . . . . . . . 4437 1 689 . 1 1 61 61 LYS HE3 H 1 2.92 0.02 . 1 . . . . . . . . 4437 1 690 . 1 1 61 61 LYS C C 13 175.7 0.6 . 1 . . . . . . . . 4437 1 691 . 1 1 61 61 LYS CA C 13 55.1 0.6 . 1 . . . . . . . . 4437 1 692 . 1 1 61 61 LYS CB C 13 34.1 0.6 . 1 . . . . . . . . 4437 1 693 . 1 1 61 61 LYS CG C 13 24.6 0.6 . 1 . . . . . . . . 4437 1 694 . 1 1 61 61 LYS CD C 13 29.1 0.6 . 1 . . . . . . . . 4437 1 695 . 1 1 61 61 LYS CE C 13 42.1 0.6 . 1 . . . . . . . . 4437 1 696 . 1 1 61 61 LYS N N 15 122.5 0.3 . 1 . . . . . . . . 4437 1 697 . 1 1 62 62 CYS H H 1 9.19 0.02 . 1 . . . . . . . . 4437 1 698 . 1 1 62 62 CYS HA H 1 5.32 0.02 . 1 . . . . . . . . 4437 1 699 . 1 1 62 62 CYS HB2 H 1 2.44 0.02 . 1 . . . . . . . . 4437 1 700 . 1 1 62 62 CYS HB3 H 1 2.80 0.02 . 1 . . . . . . . . 4437 1 701 . 1 1 62 62 CYS C C 13 174.5 0.6 . 1 . . . . . . . . 4437 1 702 . 1 1 62 62 CYS CA C 13 56.1 0.6 . 1 . . . . . . . . 4437 1 703 . 1 1 62 62 CYS CB C 13 37.6 0.6 . 1 . . . . . . . . 4437 1 704 . 1 1 62 62 CYS N N 15 131.5 0.3 . 1 . . . . . . . . 4437 1 705 . 1 1 63 63 THR H H 1 9.23 0.02 . 1 . . . . . . . . 4437 1 706 . 1 1 63 63 THR HA H 1 4.51 0.02 . 1 . . . . . . . . 4437 1 707 . 1 1 63 63 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 4437 1 708 . 1 1 63 63 THR HG21 H 1 1.16 0.02 . 1 . . . . . . . . 4437 1 709 . 1 1 63 63 THR HG22 H 1 1.16 0.02 . 1 . . . . . . . . 4437 1 710 . 1 1 63 63 THR HG23 H 1 1.16 0.02 . 1 . . . . . . . . 4437 1 711 . 1 1 63 63 THR C C 13 172.2 0.6 . 1 . . . . . . . . 4437 1 712 . 1 1 63 63 THR CA C 13 62.8 0.6 . 1 . . . . . . . . 4437 1 713 . 1 1 63 63 THR CB C 13 71.5 0.6 . 1 . . . . . . . . 4437 1 714 . 1 1 63 63 THR CG2 C 13 22.0 0.6 . 1 . . . . . . . . 4437 1 715 . 1 1 63 63 THR N N 15 125.9 0.3 . 1 . . . . . . . . 4437 1 716 . 1 1 64 64 GLU H H 1 8.61 0.02 . 1 . . . . . . . . 4437 1 717 . 1 1 64 64 GLU HA H 1 5.12 0.02 . 1 . . . . . . . . 4437 1 718 . 1 1 64 64 GLU HB2 H 1 1.90 0.02 . 1 . . . . . . . . 4437 1 719 . 1 1 64 64 GLU HB3 H 1 1.90 0.02 . 1 . . . . . . . . 4437 1 720 . 1 1 64 64 GLU HG2 H 1 2.30 0.02 . 1 . . . . . . . . 4437 1 721 . 1 1 64 64 GLU HG3 H 1 2.30 0.02 . 1 . . . . . . . . 4437 1 722 . 1 1 64 64 GLU CA C 13 54.4 0.6 . 1 . . . . . . . . 4437 1 723 . 1 1 64 64 GLU CB C 13 32.0 0.6 . 1 . . . . . . . . 4437 1 724 . 1 1 64 64 GLU CG C 13 36.8 0.6 . 1 . . . . . . . . 4437 1 725 . 1 1 64 64 GLU N N 15 123.0 0.3 . 1 . . . . . . . . 4437 1 726 . 1 1 65 65 GLU H H 1 8.76 0.02 . 1 . . . . . . . . 4437 1 727 . 1 1 65 65 GLU HA H 1 4.60 0.02 . 1 . . . . . . . . 4437 1 728 . 1 1 65 65 GLU HB2 H 1 2.01 0.02 . 2 . . . . . . . . 4437 1 729 . 1 1 65 65 GLU HB3 H 1 1.86 0.02 . 2 . . . . . . . . 4437 1 730 . 1 1 65 65 GLU HG2 H 1 2.15 0.02 . 1 . . . . . . . . 4437 1 731 . 1 1 65 65 GLU HG3 H 1 2.15 0.02 . 1 . . . . . . . . 4437 1 732 . 1 1 65 65 GLU CA C 13 55.1 0.6 . 1 . . . . . . . . 4437 1 733 . 1 1 65 65 GLU CB C 13 32.9 0.6 . 1 . . . . . . . . 4437 1 734 . 1 1 65 65 GLU CG C 13 36.1 0.6 . 1 . . . . . . . . 4437 1 735 . 1 1 65 65 GLU N N 15 123.0 0.3 . 1 . . . . . . . . 4437 1 736 . 1 1 66 66 ASP H H 1 8.79 0.02 . 1 . . . . . . . . 4437 1 737 . 1 1 66 66 ASP HA H 1 4.80 0.02 . 1 . . . . . . . . 4437 1 738 . 1 1 66 66 ASP HB2 H 1 2.80 0.02 . 2 . . . . . . . . 4437 1 739 . 1 1 66 66 ASP HB3 H 1 2.58 0.02 . 2 . . . . . . . . 4437 1 740 . 1 1 66 66 ASP C C 13 176.4 0.6 . 1 . . . . . . . . 4437 1 741 . 1 1 66 66 ASP CA C 13 54.8 0.6 . 1 . . . . . . . . 4437 1 742 . 1 1 66 66 ASP CB C 13 41.2 0.6 . 1 . . . . . . . . 4437 1 743 . 1 1 66 66 ASP N N 15 123.9 0.3 . 1 . . . . . . . . 4437 1 744 . 1 1 67 67 SER H H 1 8.38 0.02 . 1 . . . . . . . . 4437 1 745 . 1 1 67 67 SER HA H 1 4.55 0.02 . 1 . . . . . . . . 4437 1 746 . 1 1 67 67 SER HB2 H 1 3.83 0.02 . 2 . . . . . . . . 4437 1 747 . 1 1 67 67 SER HB3 H 1 3.70 0.02 . 2 . . . . . . . . 4437 1 748 . 1 1 67 67 SER C C 13 175.4 0.6 . 1 . . . . . . . . 4437 1 749 . 1 1 67 67 SER CA C 13 58.0 0.6 . 1 . . . . . . . . 4437 1 750 . 1 1 67 67 SER CB C 13 64.6 0.6 . 1 . . . . . . . . 4437 1 751 . 1 1 67 67 SER N N 15 119.1 0.3 . 1 . . . . . . . . 4437 1 752 . 1 1 68 68 GLY H H 1 8.65 0.02 . 1 . . . . . . . . 4437 1 753 . 1 1 68 68 GLY HA2 H 1 4.13 0.02 . 2 . . . . . . . . 4437 1 754 . 1 1 68 68 GLY HA3 H 1 3.85 0.02 . 2 . . . . . . . . 4437 1 755 . 1 1 68 68 GLY C C 13 175.0 0.6 . 1 . . . . . . . . 4437 1 756 . 1 1 68 68 GLY CA C 13 46.0 0.6 . 1 . . . . . . . . 4437 1 757 . 1 1 68 68 GLY N N 15 112.2 0.3 . 1 . . . . . . . . 4437 1 758 . 1 1 69 69 SER H H 1 8.58 0.02 . 1 . . . . . . . . 4437 1 759 . 1 1 69 69 SER HA H 1 4.42 0.02 . 1 . . . . . . . . 4437 1 760 . 1 1 69 69 SER HB2 H 1 3.87 0.02 . 1 . . . . . . . . 4437 1 761 . 1 1 69 69 SER HB3 H 1 3.87 0.02 . 1 . . . . . . . . 4437 1 762 . 1 1 69 69 SER C C 13 174.8 0.6 . 1 . . . . . . . . 4437 1 763 . 1 1 69 69 SER CA C 13 59.1 0.6 . 1 . . . . . . . . 4437 1 764 . 1 1 69 69 SER CB C 13 63.4 0.6 . 1 . . . . . . . . 4437 1 765 . 1 1 69 69 SER N N 15 117.7 0.3 . 1 . . . . . . . . 4437 1 766 . 1 1 70 70 ASN H H 1 8.39 0.02 . 1 . . . . . . . . 4437 1 767 . 1 1 70 70 ASN HA H 1 4.74 0.02 . 1 . . . . . . . . 4437 1 768 . 1 1 70 70 ASN HB2 H 1 2.94 0.02 . 2 . . . . . . . . 4437 1 769 . 1 1 70 70 ASN HB3 H 1 2.77 0.02 . 2 . . . . . . . . 4437 1 770 . 1 1 70 70 ASN CA C 13 53.8 0.6 . 1 . . . . . . . . 4437 1 771 . 1 1 70 70 ASN CB C 13 38.9 0.6 . 1 . . . . . . . . 4437 1 772 . 1 1 70 70 ASN N N 15 118.4 0.3 . 1 . . . . . . . . 4437 1 773 . 1 1 71 71 GLY H H 1 7.88 0.02 . 1 . . . . . . . . 4437 1 774 . 1 1 71 71 GLY HA2 H 1 4.07 0.02 . 1 . . . . . . . . 4437 1 775 . 1 1 71 71 GLY HA3 H 1 4.07 0.02 . 1 . . . . . . . . 4437 1 776 . 1 1 71 71 GLY C C 13 173.7 0.6 . 1 . . . . . . . . 4437 1 777 . 1 1 71 71 GLY CA C 13 45.0 0.6 . 1 . . . . . . . . 4437 1 778 . 1 1 71 71 GLY N N 15 108.1 0.3 . 1 . . . . . . . . 4437 1 779 . 1 1 72 72 LYS H H 1 8.39 0.02 . 1 . . . . . . . . 4437 1 780 . 1 1 72 72 LYS HA H 1 4.84 0.02 . 1 . . . . . . . . 4437 1 781 . 1 1 72 72 LYS HB2 H 1 1.75 0.02 . 2 . . . . . . . . 4437 1 782 . 1 1 72 72 LYS HB3 H 1 1.59 0.02 . 2 . . . . . . . . 4437 1 783 . 1 1 72 72 LYS HG2 H 1 1.46 0.02 . 2 . . . . . . . . 4437 1 784 . 1 1 72 72 LYS HG3 H 1 1.38 0.02 . 2 . . . . . . . . 4437 1 785 . 1 1 72 72 LYS HD2 H 1 1.66 0.02 . 1 . . . . . . . . 4437 1 786 . 1 1 72 72 LYS HD3 H 1 1.66 0.02 . 1 . . . . . . . . 4437 1 787 . 1 1 72 72 LYS HE2 H 1 2.93 0.02 . 1 . . . . . . . . 4437 1 788 . 1 1 72 72 LYS HE3 H 1 2.93 0.02 . 1 . . . . . . . . 4437 1 789 . 1 1 72 72 LYS C C 13 173.7 0.6 . 1 . . . . . . . . 4437 1 790 . 1 1 72 72 LYS CA C 13 55.4 0.6 . 1 . . . . . . . . 4437 1 791 . 1 1 72 72 LYS CB C 13 35.0 0.6 . 1 . . . . . . . . 4437 1 792 . 1 1 72 72 LYS CG C 13 24.9 0.6 . 1 . . . . . . . . 4437 1 793 . 1 1 72 72 LYS CD C 13 28.9 0.6 . 1 . . . . . . . . 4437 1 794 . 1 1 72 72 LYS CE C 13 42.2 0.6 . 1 . . . . . . . . 4437 1 795 . 1 1 72 72 LYS N N 15 120.8 0.3 . 1 . . . . . . . . 4437 1 796 . 1 1 73 73 LYS H H 1 8.81 0.02 . 1 . . . . . . . . 4437 1 797 . 1 1 73 73 LYS HA H 1 4.64 0.02 . 1 . . . . . . . . 4437 1 798 . 1 1 73 73 LYS HB2 H 1 1.71 0.02 . 1 . . . . . . . . 4437 1 799 . 1 1 73 73 LYS HB3 H 1 1.71 0.02 . 1 . . . . . . . . 4437 1 800 . 1 1 73 73 LYS HG2 H 1 1.36 0.02 . 2 . . . . . . . . 4437 1 801 . 1 1 73 73 LYS HG3 H 1 1.25 0.02 . 2 . . . . . . . . 4437 1 802 . 1 1 73 73 LYS HD2 H 1 1.63 0.02 . 1 . . . . . . . . 4437 1 803 . 1 1 73 73 LYS HD3 H 1 1.63 0.02 . 1 . . . . . . . . 4437 1 804 . 1 1 73 73 LYS HE2 H 1 2.89 0.02 . 1 . . . . . . . . 4437 1 805 . 1 1 73 73 LYS HE3 H 1 2.89 0.02 . 1 . . . . . . . . 4437 1 806 . 1 1 73 73 LYS C C 13 175.3 0.6 . 1 . . . . . . . . 4437 1 807 . 1 1 73 73 LYS CA C 13 55.0 0.6 . 1 . . . . . . . . 4437 1 808 . 1 1 73 73 LYS CB C 13 35.4 0.6 . 1 . . . . . . . . 4437 1 809 . 1 1 73 73 LYS CG C 13 24.6 0.6 . 1 . . . . . . . . 4437 1 810 . 1 1 73 73 LYS N N 15 122.6 0.3 . 1 . . . . . . . . 4437 1 811 . 1 1 74 74 ILE H H 1 8.54 0.02 . 1 . . . . . . . . 4437 1 812 . 1 1 74 74 ILE HA H 1 4.83 0.02 . 1 . . . . . . . . 4437 1 813 . 1 1 74 74 ILE HB H 1 1.91 0.02 . 1 . . . . . . . . 4437 1 814 . 1 1 74 74 ILE HG12 H 1 1.50 0.02 . 1 . . . . . . . . 4437 1 815 . 1 1 74 74 ILE HG13 H 1 1.50 0.02 . 1 . . . . . . . . 4437 1 816 . 1 1 74 74 ILE HG21 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 817 . 1 1 74 74 ILE HG22 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 818 . 1 1 74 74 ILE HG23 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 819 . 1 1 74 74 ILE HD11 H 1 0.57 0.02 . 1 . . . . . . . . 4437 1 820 . 1 1 74 74 ILE HD12 H 1 0.57 0.02 . 1 . . . . . . . . 4437 1 821 . 1 1 74 74 ILE HD13 H 1 0.57 0.02 . 1 . . . . . . . . 4437 1 822 . 1 1 74 74 ILE C C 13 176.2 0.6 . 1 . . . . . . . . 4437 1 823 . 1 1 74 74 ILE CA C 13 58.4 0.6 . 1 . . . . . . . . 4437 1 824 . 1 1 74 74 ILE CB C 13 38.4 0.6 . 1 . . . . . . . . 4437 1 825 . 1 1 74 74 ILE CG1 C 13 27.1 0.6 . 1 . . . . . . . . 4437 1 826 . 1 1 74 74 ILE CG2 C 13 19.0 0.6 . 1 . . . . . . . . 4437 1 827 . 1 1 74 74 ILE CD1 C 13 10.3 0.6 . 1 . . . . . . . . 4437 1 828 . 1 1 74 74 ILE N N 15 126.8 0.3 . 1 . . . . . . . . 4437 1 829 . 1 1 75 75 THR H H 1 8.88 0.02 . 1 . . . . . . . . 4437 1 830 . 1 1 75 75 THR HA H 1 4.51 0.02 . 1 . . . . . . . . 4437 1 831 . 1 1 75 75 THR HB H 1 4.01 0.02 . 1 . . . . . . . . 4437 1 832 . 1 1 75 75 THR HG21 H 1 1.15 0.02 . 1 . . . . . . . . 4437 1 833 . 1 1 75 75 THR HG22 H 1 1.15 0.02 . 1 . . . . . . . . 4437 1 834 . 1 1 75 75 THR HG23 H 1 1.15 0.02 . 1 . . . . . . . . 4437 1 835 . 1 1 75 75 THR C C 13 172.4 0.6 . 1 . . . . . . . . 4437 1 836 . 1 1 75 75 THR CA C 13 61.2 0.6 . 1 . . . . . . . . 4437 1 837 . 1 1 75 75 THR CB C 13 71.5 0.6 . 1 . . . . . . . . 4437 1 838 . 1 1 75 75 THR CG2 C 13 22.0 0.6 . 1 . . . . . . . . 4437 1 839 . 1 1 75 75 THR N N 15 120.3 0.3 . 1 . . . . . . . . 4437 1 840 . 1 1 76 76 CYS H H 1 8.82 0.02 . 1 . . . . . . . . 4437 1 841 . 1 1 76 76 CYS HA H 1 5.53 0.02 . 1 . . . . . . . . 4437 1 842 . 1 1 76 76 CYS HB2 H 1 3.28 0.02 . 1 . . . . . . . . 4437 1 843 . 1 1 76 76 CYS HB3 H 1 2.69 0.02 . 1 . . . . . . . . 4437 1 844 . 1 1 76 76 CYS C C 13 174.7 0.6 . 1 . . . . . . . . 4437 1 845 . 1 1 76 76 CYS CA C 13 52.2 0.6 . 1 . . . . . . . . 4437 1 846 . 1 1 76 76 CYS CB C 13 40.6 0.6 . 1 . . . . . . . . 4437 1 847 . 1 1 76 76 CYS N N 15 121.5 0.3 . 1 . . . . . . . . 4437 1 848 . 1 1 77 77 GLU H H 1 8.64 0.02 . 1 . . . . . . . . 4437 1 849 . 1 1 77 77 GLU HA H 1 4.74 0.02 . 1 . . . . . . . . 4437 1 850 . 1 1 77 77 GLU HB2 H 1 1.94 0.02 . 1 . . . . . . . . 4437 1 851 . 1 1 77 77 GLU HB3 H 1 1.94 0.02 . 1 . . . . . . . . 4437 1 852 . 1 1 77 77 GLU HG2 H 1 1.83 0.02 . 1 . . . . . . . . 4437 1 853 . 1 1 77 77 GLU HG3 H 1 1.83 0.02 . 1 . . . . . . . . 4437 1 854 . 1 1 77 77 GLU C C 13 175.7 0.6 . 1 . . . . . . . . 4437 1 855 . 1 1 77 77 GLU CA C 13 54.7 0.6 . 1 . . . . . . . . 4437 1 856 . 1 1 77 77 GLU CB C 13 33.1 0.6 . 1 . . . . . . . . 4437 1 857 . 1 1 77 77 GLU CG C 13 36.1 0.6 . 1 . . . . . . . . 4437 1 858 . 1 1 77 77 GLU N N 15 123.0 0.3 . 1 . . . . . . . . 4437 1 859 . 1 1 78 78 CYS H H 1 9.71 0.02 . 1 . . . . . . . . 4437 1 860 . 1 1 78 78 CYS HA H 1 4.48 0.02 . 1 . . . . . . . . 4437 1 861 . 1 1 78 78 CYS HB2 H 1 2.63 0.02 . 1 . . . . . . . . 4437 1 862 . 1 1 78 78 CYS HB3 H 1 3.30 0.02 . 1 . . . . . . . . 4437 1 863 . 1 1 78 78 CYS C C 13 175.8 0.6 . 1 . . . . . . . . 4437 1 864 . 1 1 78 78 CYS CA C 13 57.4 0.6 . 1 . . . . . . . . 4437 1 865 . 1 1 78 78 CYS CB C 13 39.2 0.6 . 1 . . . . . . . . 4437 1 866 . 1 1 78 78 CYS N N 15 129.1 0.3 . 1 . . . . . . . . 4437 1 867 . 1 1 79 79 THR H H 1 8.20 0.02 . 1 . . . . . . . . 4437 1 868 . 1 1 79 79 THR HA H 1 4.25 0.02 . 1 . . . . . . . . 4437 1 869 . 1 1 79 79 THR HB H 1 4.25 0.02 . 1 . . . . . . . . 4437 1 870 . 1 1 79 79 THR HG21 H 1 1.25 0.02 . 1 . . . . . . . . 4437 1 871 . 1 1 79 79 THR HG22 H 1 1.25 0.02 . 1 . . . . . . . . 4437 1 872 . 1 1 79 79 THR HG23 H 1 1.25 0.02 . 1 . . . . . . . . 4437 1 873 . 1 1 79 79 THR C C 13 176.2 0.6 . 1 . . . . . . . . 4437 1 874 . 1 1 79 79 THR CA C 13 63.4 0.6 . 1 . . . . . . . . 4437 1 875 . 1 1 79 79 THR CB C 13 70.1 0.6 . 1 . . . . . . . . 4437 1 876 . 1 1 79 79 THR CG2 C 13 22.2 0.6 . 1 . . . . . . . . 4437 1 877 . 1 1 79 79 THR N N 15 114.7 0.3 . 1 . . . . . . . . 4437 1 878 . 1 1 80 80 LYS H H 1 8.56 0.02 . 1 . . . . . . . . 4437 1 879 . 1 1 80 80 LYS HA H 1 4.50 0.02 . 1 . . . . . . . . 4437 1 880 . 1 1 80 80 LYS HB2 H 1 1.79 0.02 . 1 . . . . . . . . 4437 1 881 . 1 1 80 80 LYS HB3 H 1 1.79 0.02 . 1 . . . . . . . . 4437 1 882 . 1 1 80 80 LYS HG2 H 1 1.47 0.02 . 2 . . . . . . . . 4437 1 883 . 1 1 80 80 LYS HG3 H 1 1.64 0.02 . 2 . . . . . . . . 4437 1 884 . 1 1 80 80 LYS HD2 H 1 1.70 0.02 . 1 . . . . . . . . 4437 1 885 . 1 1 80 80 LYS HD3 H 1 1.70 0.02 . 1 . . . . . . . . 4437 1 886 . 1 1 80 80 LYS HE2 H 1 2.94 0.02 . 1 . . . . . . . . 4437 1 887 . 1 1 80 80 LYS HE3 H 1 2.94 0.02 . 1 . . . . . . . . 4437 1 888 . 1 1 80 80 LYS CA C 13 55.4 0.6 . 1 . . . . . . . . 4437 1 889 . 1 1 80 80 LYS CB C 13 30.9 0.6 . 1 . . . . . . . . 4437 1 890 . 1 1 80 80 LYS CG C 13 25.6 0.6 . 1 . . . . . . . . 4437 1 891 . 1 1 80 80 LYS CD C 13 29.1 0.6 . 1 . . . . . . . . 4437 1 892 . 1 1 80 80 LYS CE C 13 42.1 0.6 . 1 . . . . . . . . 4437 1 893 . 1 1 80 80 LYS N N 15 124.8 0.3 . 1 . . . . . . . . 4437 1 894 . 1 1 81 81 PRO HA H 1 4.26 0.02 . 1 . . . . . . . . 4437 1 895 . 1 1 81 81 PRO HB2 H 1 2.27 0.02 . 1 . . . . . . . . 4437 1 896 . 1 1 81 81 PRO HB3 H 1 1.87 0.02 . 1 . . . . . . . . 4437 1 897 . 1 1 81 81 PRO HG2 H 1 2.10 0.02 . 2 . . . . . . . . 4437 1 898 . 1 1 81 81 PRO HG3 H 1 2.04 0.02 . 2 . . . . . . . . 4437 1 899 . 1 1 81 81 PRO HD2 H 1 3.90 0.02 . 2 . . . . . . . . 4437 1 900 . 1 1 81 81 PRO HD3 H 1 3.63 0.02 . 2 . . . . . . . . 4437 1 901 . 1 1 81 81 PRO C C 13 176.9 0.6 . 1 . . . . . . . . 4437 1 902 . 1 1 81 81 PRO CA C 13 64.2 0.6 . 1 . . . . . . . . 4437 1 903 . 1 1 81 81 PRO CB C 13 31.9 0.6 . 1 . . . . . . . . 4437 1 904 . 1 1 81 81 PRO CG C 13 27.8 0.6 . 1 . . . . . . . . 4437 1 905 . 1 1 81 81 PRO CD C 13 50.8 0.6 . 1 . . . . . . . . 4437 1 906 . 1 1 82 82 ASP H H 1 8.78 0.02 . 1 . . . . . . . . 4437 1 907 . 1 1 82 82 ASP HA H 1 4.25 0.02 . 1 . . . . . . . . 4437 1 908 . 1 1 82 82 ASP HB2 H 1 2.88 0.02 . 2 . . . . . . . . 4437 1 909 . 1 1 82 82 ASP HB3 H 1 2.77 0.02 . 2 . . . . . . . . 4437 1 910 . 1 1 82 82 ASP CA C 13 55.1 0.6 . 1 . . . . . . . . 4437 1 911 . 1 1 82 82 ASP CB C 13 40.0 0.6 . 1 . . . . . . . . 4437 1 912 . 1 1 82 82 ASP N N 15 117.9 0.3 . 1 . . . . . . . . 4437 1 913 . 1 1 83 83 SER H H 1 7.39 0.02 . 1 . . . . . . . . 4437 1 914 . 1 1 83 83 SER HA H 1 4.47 0.02 . 1 . . . . . . . . 4437 1 915 . 1 1 83 83 SER HB2 H 1 3.55 0.02 . 2 . . . . . . . . 4437 1 916 . 1 1 83 83 SER HB3 H 1 3.50 0.02 . 2 . . . . . . . . 4437 1 917 . 1 1 83 83 SER C C 13 175.4 0.6 . 1 . . . . . . . . 4437 1 918 . 1 1 83 83 SER CA C 13 57.4 0.6 . 1 . . . . . . . . 4437 1 919 . 1 1 83 83 SER CB C 13 65.9 0.6 . 1 . . . . . . . . 4437 1 920 . 1 1 83 83 SER N N 15 112.9 0.3 . 1 . . . . . . . . 4437 1 921 . 1 1 84 84 TYR H H 1 8.72 0.02 . 1 . . . . . . . . 4437 1 922 . 1 1 84 84 TYR HA H 1 5.01 0.02 . 1 . . . . . . . . 4437 1 923 . 1 1 84 84 TYR HB2 H 1 2.93 0.02 . 2 . . . . . . . . 4437 1 924 . 1 1 84 84 TYR HB3 H 1 2.75 0.02 . 2 . . . . . . . . 4437 1 925 . 1 1 84 84 TYR HD1 H 1 6.92 0.02 . 1 . . . . . . . . 4437 1 926 . 1 1 84 84 TYR HD2 H 1 6.92 0.02 . 1 . . . . . . . . 4437 1 927 . 1 1 84 84 TYR HE1 H 1 6.69 0.02 . 1 . . . . . . . . 4437 1 928 . 1 1 84 84 TYR HE2 H 1 6.69 0.02 . 1 . . . . . . . . 4437 1 929 . 1 1 84 84 TYR CA C 13 54.6 0.6 . 1 . . . . . . . . 4437 1 930 . 1 1 84 84 TYR CB C 13 39.7 0.6 . 1 . . . . . . . . 4437 1 931 . 1 1 84 84 TYR N N 15 122.2 0.3 . 1 . . . . . . . . 4437 1 932 . 1 1 85 85 PRO HA H 1 5.09 0.02 . 1 . . . . . . . . 4437 1 933 . 1 1 85 85 PRO HB2 H 1 2.25 0.02 . 2 . . . . . . . . 4437 1 934 . 1 1 85 85 PRO HB3 H 1 1.72 0.02 . 2 . . . . . . . . 4437 1 935 . 1 1 85 85 PRO HG2 H 1 2.22 0.02 . 1 . . . . . . . . 4437 1 936 . 1 1 85 85 PRO HG3 H 1 2.22 0.02 . 1 . . . . . . . . 4437 1 937 . 1 1 85 85 PRO HD2 H 1 3.85 0.02 . 1 . . . . . . . . 4437 1 938 . 1 1 85 85 PRO HD3 H 1 3.85 0.02 . 1 . . . . . . . . 4437 1 939 . 1 1 85 85 PRO C C 13 176.9 0.6 . 1 . . . . . . . . 4437 1 940 . 1 1 85 85 PRO CA C 13 62.9 0.6 . 1 . . . . . . . . 4437 1 941 . 1 1 85 85 PRO CB C 13 32.8 0.6 . 1 . . . . . . . . 4437 1 942 . 1 1 85 85 PRO CG C 13 27.3 0.6 . 1 . . . . . . . . 4437 1 943 . 1 1 85 85 PRO CD C 13 50.6 0.6 . 1 . . . . . . . . 4437 1 944 . 1 1 86 86 LEU H H 1 8.51 0.02 . 1 . . . . . . . . 4437 1 945 . 1 1 86 86 LEU HA H 1 4.77 0.02 . 1 . . . . . . . . 4437 1 946 . 1 1 86 86 LEU HB2 H 1 1.76 0.02 . 1 . . . . . . . . 4437 1 947 . 1 1 86 86 LEU HB3 H 1 1.76 0.02 . 1 . . . . . . . . 4437 1 948 . 1 1 86 86 LEU HG H 1 1.85 0.02 . 1 . . . . . . . . 4437 1 949 . 1 1 86 86 LEU HD11 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 950 . 1 1 86 86 LEU HD12 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 951 . 1 1 86 86 LEU HD13 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 952 . 1 1 86 86 LEU HD21 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 953 . 1 1 86 86 LEU HD22 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 954 . 1 1 86 86 LEU HD23 H 1 1.00 0.02 . 1 . . . . . . . . 4437 1 955 . 1 1 86 86 LEU C C 13 177.9 0.6 . 1 . . . . . . . . 4437 1 956 . 1 1 86 86 LEU CA C 13 54.5 0.6 . 1 . . . . . . . . 4437 1 957 . 1 1 86 86 LEU CB C 13 44.8 0.6 . 1 . . . . . . . . 4437 1 958 . 1 1 86 86 LEU CG C 13 29.0 0.6 . 1 . . . . . . . . 4437 1 959 . 1 1 86 86 LEU CD1 C 13 25.7 0.6 . 1 . . . . . . . . 4437 1 960 . 1 1 86 86 LEU CD2 C 13 25.7 0.6 . 1 . . . . . . . . 4437 1 961 . 1 1 86 86 LEU N N 15 120.2 0.3 . 1 . . . . . . . . 4437 1 962 . 1 1 87 87 PHE H H 1 9.29 0.02 . 1 . . . . . . . . 4437 1 963 . 1 1 87 87 PHE HA H 1 4.16 0.02 . 1 . . . . . . . . 4437 1 964 . 1 1 87 87 PHE HB2 H 1 3.26 0.02 . 2 . . . . . . . . 4437 1 965 . 1 1 87 87 PHE HB3 H 1 3.19 0.02 . 2 . . . . . . . . 4437 1 966 . 1 1 87 87 PHE HD1 H 1 7.31 0.02 . 1 . . . . . . . . 4437 1 967 . 1 1 87 87 PHE HD2 H 1 7.31 0.02 . 1 . . . . . . . . 4437 1 968 . 1 1 87 87 PHE HE1 H 1 7.70 0.02 . 1 . . . . . . . . 4437 1 969 . 1 1 87 87 PHE HE2 H 1 7.70 0.02 . 1 . . . . . . . . 4437 1 970 . 1 1 87 87 PHE HZ H 1 7.67 0.02 . 1 . . . . . . . . 4437 1 971 . 1 1 87 87 PHE C C 13 176.4 0.6 . 1 . . . . . . . . 4437 1 972 . 1 1 87 87 PHE CA C 13 59.3 0.6 . 1 . . . . . . . . 4437 1 973 . 1 1 87 87 PHE CB C 13 36.9 0.6 . 1 . . . . . . . . 4437 1 974 . 1 1 87 87 PHE N N 15 122.6 0.3 . 1 . . . . . . . . 4437 1 975 . 1 1 88 88 ASP H H 1 8.93 0.02 . 1 . . . . . . . . 4437 1 976 . 1 1 88 88 ASP HA H 1 4.33 0.02 . 1 . . . . . . . . 4437 1 977 . 1 1 88 88 ASP HB2 H 1 3.11 0.02 . 2 . . . . . . . . 4437 1 978 . 1 1 88 88 ASP HB3 H 1 3.02 0.02 . 2 . . . . . . . . 4437 1 979 . 1 1 88 88 ASP C C 13 175.2 0.6 . 1 . . . . . . . . 4437 1 980 . 1 1 88 88 ASP CA C 13 56.3 0.6 . 1 . . . . . . . . 4437 1 981 . 1 1 88 88 ASP CB C 13 39.9 0.6 . 1 . . . . . . . . 4437 1 982 . 1 1 88 88 ASP N N 15 111.3 0.3 . 1 . . . . . . . . 4437 1 983 . 1 1 89 89 GLY H H 1 7.87 0.02 . 1 . . . . . . . . 4437 1 984 . 1 1 89 89 GLY HA2 H 1 3.48 0.02 . 1 . . . . . . . . 4437 1 985 . 1 1 89 89 GLY HA3 H 1 4.08 0.02 . 1 . . . . . . . . 4437 1 986 . 1 1 89 89 GLY C C 13 174.7 0.6 . 1 . . . . . . . . 4437 1 987 . 1 1 89 89 GLY CA C 13 46.0 0.6 . 1 . . . . . . . . 4437 1 988 . 1 1 89 89 GLY N N 15 102.0 0.3 . 1 . . . . . . . . 4437 1 989 . 1 1 90 90 ILE H H 1 7.17 0.02 . 1 . . . . . . . . 4437 1 990 . 1 1 90 90 ILE HA H 1 4.39 0.02 . 1 . . . . . . . . 4437 1 991 . 1 1 90 90 ILE HB H 1 1.52 0.02 . 1 . . . . . . . . 4437 1 992 . 1 1 90 90 ILE HG12 H 1 0.65 0.02 . 1 . . . . . . . . 4437 1 993 . 1 1 90 90 ILE HG13 H 1 0.65 0.02 . 1 . . . . . . . . 4437 1 994 . 1 1 90 90 ILE HG21 H 1 1.05 0.02 . 1 . . . . . . . . 4437 1 995 . 1 1 90 90 ILE HG22 H 1 1.05 0.02 . 1 . . . . . . . . 4437 1 996 . 1 1 90 90 ILE HG23 H 1 1.05 0.02 . 1 . . . . . . . . 4437 1 997 . 1 1 90 90 ILE HD11 H 1 0.51 0.02 . 1 . . . . . . . . 4437 1 998 . 1 1 90 90 ILE HD12 H 1 0.51 0.02 . 1 . . . . . . . . 4437 1 999 . 1 1 90 90 ILE HD13 H 1 0.51 0.02 . 1 . . . . . . . . 4437 1 1000 . 1 1 90 90 ILE C C 13 175.1 0.6 . 1 . . . . . . . . 4437 1 1001 . 1 1 90 90 ILE CA C 13 64.2 0.6 . 1 . . . . . . . . 4437 1 1002 . 1 1 90 90 ILE CB C 13 35.9 0.6 . 1 . . . . . . . . 4437 1 1003 . 1 1 90 90 ILE CG1 C 13 25.5 0.6 . 1 . . . . . . . . 4437 1 1004 . 1 1 90 90 ILE CG2 C 13 16.9 0.6 . 1 . . . . . . . . 4437 1 1005 . 1 1 90 90 ILE CD1 C 13 14.9 0.6 . 1 . . . . . . . . 4437 1 1006 . 1 1 90 90 ILE N N 15 113.3 0.3 . 1 . . . . . . . . 4437 1 1007 . 1 1 91 91 PHE H H 1 7.43 0.02 . 1 . . . . . . . . 4437 1 1008 . 1 1 91 91 PHE HA H 1 5.15 0.02 . 1 . . . . . . . . 4437 1 1009 . 1 1 91 91 PHE HB2 H 1 2.40 0.02 . 1 . . . . . . . . 4437 1 1010 . 1 1 91 91 PHE HB3 H 1 2.40 0.02 . 1 . . . . . . . . 4437 1 1011 . 1 1 91 91 PHE HD1 H 1 7.00 0.02 . 1 . . . . . . . . 4437 1 1012 . 1 1 91 91 PHE HD2 H 1 7.00 0.02 . 1 . . . . . . . . 4437 1 1013 . 1 1 91 91 PHE HE1 H 1 6.95 0.02 . 1 . . . . . . . . 4437 1 1014 . 1 1 91 91 PHE HE2 H 1 6.95 0.02 . 1 . . . . . . . . 4437 1 1015 . 1 1 91 91 PHE HZ H 1 7.06 0.02 . 1 . . . . . . . . 4437 1 1016 . 1 1 91 91 PHE C C 13 175.1 0.6 . 1 . . . . . . . . 4437 1 1017 . 1 1 91 91 PHE CA C 13 56.5 0.6 . 1 . . . . . . . . 4437 1 1018 . 1 1 91 91 PHE CB C 13 44.3 0.6 . 1 . . . . . . . . 4437 1 1019 . 1 1 91 91 PHE N N 15 114.0 0.3 . 1 . . . . . . . . 4437 1 1020 . 1 1 92 92 CYS H H 1 7.86 0.02 . 1 . . . . . . . . 4437 1 1021 . 1 1 92 92 CYS HA H 1 5.18 0.02 . 1 . . . . . . . . 4437 1 1022 . 1 1 92 92 CYS HB2 H 1 2.57 0.02 . 1 . . . . . . . . 4437 1 1023 . 1 1 92 92 CYS HB3 H 1 3.08 0.02 . 1 . . . . . . . . 4437 1 1024 . 1 1 92 92 CYS C C 13 174.1 0.6 . 1 . . . . . . . . 4437 1 1025 . 1 1 92 92 CYS CA C 13 54.1 0.6 . 1 . . . . . . . . 4437 1 1026 . 1 1 92 92 CYS CB C 13 44.7 0.6 . 1 . . . . . . . . 4437 1 1027 . 1 1 92 92 CYS N N 15 119.0 0.3 . 1 . . . . . . . . 4437 1 1028 . 1 1 93 93 SER H H 1 9.26 0.02 . 1 . . . . . . . . 4437 1 1029 . 1 1 93 93 SER HA H 1 4.23 0.02 . 1 . . . . . . . . 4437 1 1030 . 1 1 93 93 SER HB2 H 1 3.90 0.02 . 1 . . . . . . . . 4437 1 1031 . 1 1 93 93 SER HB3 H 1 3.90 0.02 . 1 . . . . . . . . 4437 1 1032 . 1 1 93 93 SER CA C 13 60.4 0.6 . 1 . . . . . . . . 4437 1 1033 . 1 1 93 93 SER CB C 13 63.7 0.6 . 1 . . . . . . . . 4437 1 1034 . 1 1 93 93 SER N N 15 118.3 0.3 . 1 . . . . . . . . 4437 1 1035 . 1 1 94 94 SER H H 1 8.04 0.02 . 1 . . . . . . . . 4437 1 1036 . 1 1 94 94 SER HA H 1 4.59 0.02 . 1 . . . . . . . . 4437 1 1037 . 1 1 94 94 SER HB2 H 1 3.91 0.02 . 1 . . . . . . . . 4437 1 1038 . 1 1 94 94 SER HB3 H 1 3.91 0.02 . 1 . . . . . . . . 4437 1 1039 . 1 1 94 94 SER CA C 13 58.7 0.6 . 1 . . . . . . . . 4437 1 1040 . 1 1 94 94 SER CB C 13 64.0 0.6 . 1 . . . . . . . . 4437 1 1041 . 1 1 94 94 SER N N 15 114.2 0.3 . 1 . . . . . . . . 4437 1 1042 . 1 1 95 95 SER HA H 1 4.71 0.02 . 1 . . . . . . . . 4437 1 1043 . 1 1 95 95 SER HB2 H 1 4.02 0.02 . 2 . . . . . . . . 4437 1 1044 . 1 1 95 95 SER HB3 H 1 3.94 0.02 . 2 . . . . . . . . 4437 1 1045 . 1 1 95 95 SER CA C 13 58.4 0.6 . 1 . . . . . . . . 4437 1 1046 . 1 1 95 95 SER CB C 13 64.5 0.6 . 1 . . . . . . . . 4437 1 1047 . 1 1 96 96 ASN HA H 1 4.61 0.02 . 1 . . . . . . . . 4437 1 1048 . 1 1 96 96 ASN HB2 H 1 2.75 0.02 . 2 . . . . . . . . 4437 1 1049 . 1 1 96 96 ASN HB3 H 1 2.60 0.02 . 2 . . . . . . . . 4437 1 1050 . 1 1 96 96 ASN CA C 13 54.3 0.6 . 1 . . . . . . . . 4437 1 1051 . 1 1 96 96 ASN CB C 13 41.8 0.6 . 1 . . . . . . . . 4437 1 stop_ save_