data_4945 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 4945 _Entry.Title ; VAM3P N-TERMINAL DOMAIN SOLUTION STRUCTURE ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2001-01-22 _Entry.Accession_date 2001-01-22 _Entry.Last_release_date 2001-08-22 _Entry.Original_release_date 2001-08-22 _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 I. Dulubova . . . 4945 2 T. Yamaguchi . . . 4945 3 Y. Wang . . . 4945 4 T. Sudhof . C. . 4945 5 J. Rizo . . . 4945 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 4945 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '1H chemical shifts' 869 4945 '13C chemical shifts' 502 4945 '15N chemical shifts' 126 4945 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 . . 2001-08-22 2001-01-22 original author . 4945 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 4945 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code 21127492 _Citation.DOI . _Citation.PubMed_ID 11224573 _Citation.Full_citation . _Citation.Title 'Vam3p Structure Reveals Conserved and Divergent Properties of Syntaxins' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Nat. Struct. Biol.' _Citation.Journal_name_full 'Nature Structural Biology' _Citation.Journal_volume 8 _Citation.Journal_issue 3 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 258 _Citation.Page_last 264 _Citation.Year 2001 _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 I. Dulubova . . . 4945 1 2 T. Yamaguchi . . . 4945 1 3 Y. Wang . . . 4945 1 4 T. Sudhof . C. . 4945 1 5 J. Rizo . . . 4945 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'up-and-down three-helix bundle' 4945 1 'insertion preceding proline in an alpha-helix' 4945 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_system_Vam3N _Assembly.Sf_category assembly _Assembly.Sf_framecode system_Vam3N _Assembly.Entry_ID 4945 _Assembly.ID 1 _Assembly.Name 'Vam3p N-terminal domain' _Assembly.BMRB_code . _Assembly.Number_of_components . _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state 'all free' _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Assembly_type.Type _Assembly_type.Entry_ID _Assembly_type.Assembly_ID monomer 4945 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 'Vam3p N-terminal domain' 1 $Vam3N . . . native . . . . . 4945 1 stop_ loop_ _Assembly_db_link.Author_supplied _Assembly_db_link.Database_code _Assembly_db_link.Accession_code _Assembly_db_link.Entry_mol_code _Assembly_db_link.Entry_mol_name _Assembly_db_link.Entry_experimental_method _Assembly_db_link.Entry_structure_resolution _Assembly_db_link.Entry_relation_type _Assembly_db_link.Entry_details _Assembly_db_link.Entry_ID _Assembly_db_link.Assembly_ID . PDB 1HS7 . . . . . . 4945 1 stop_ loop_ _Assembly_common_name.Name _Assembly_common_name.Type _Assembly_common_name.Entry_ID _Assembly_common_name.Assembly_ID 'Vam3p N-terminal domain' system 4945 1 Vam3N abbreviation 4945 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Vam3N _Entity.Sf_category entity _Entity.Sf_framecode Vam3N _Entity.Entry_ID 4945 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name 'single chain biopolimer' _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 ; GSSQQEPQFSTNQKTKELSN LIETFAEQSRVLEKECTKIG SKRDSKELRYKIETELIPNC TSVRDKIESNILIHQNGKLS ADFKNLKTKYQSLQQSYNQR KSLFPLKTPISPGTSKERKD IHP ; _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 123 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic . _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight . _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 1HS7 . "Vam3p N-Terminal Domain Solution Structure" . . . . . 78.86 97 100.00 100.00 3.32e-61 . . . . 4945 1 2 no DBJ GAA26424 . "K7_Vam3p [Saccharomyces cerevisiae Kyokai no. 7]" . . . . . 100.00 283 99.19 100.00 2.12e-80 . . . . 4945 1 3 no EMBL CAA64026 . "YOR3220w [Saccharomyces cerevisiae]" . . . . . 100.00 283 99.19 100.00 2.12e-80 . . . . 4945 1 4 no EMBL CAA99304 . "VAM3 [Saccharomyces cerevisiae]" . . . . . 100.00 283 99.19 100.00 2.12e-80 . . . . 4945 1 5 no EMBL CAY86392 . "Vam3p [Saccharomyces cerevisiae EC1118]" . . . . . 100.00 283 97.56 99.19 2.43e-78 . . . . 4945 1 6 no GB AAC49737 . "Vam3p [Saccharomyces cerevisiae]" . . . . . 100.00 283 99.19 100.00 2.12e-80 . . . . 4945 1 7 no GB AHY77403 . "Vam3p [Saccharomyces cerevisiae YJM993]" . . . . . 100.00 283 98.37 100.00 1.03e-79 . . . . 4945 1 8 no GB EDN63969 . "vacuolar morphogenesis protein [Saccharomyces cerevisiae YJM789]" . . . . . 100.00 283 98.37 100.00 1.03e-79 . . . . 4945 1 9 no GB EDV10703 . "syntaxin VAM3 [Saccharomyces cerevisiae RM11-1a]" . . . . . 100.00 283 98.37 100.00 1.03e-79 . . . . 4945 1 10 no GB EEU07936 . "Vam3p [Saccharomyces cerevisiae JAY291]" . . . . . 100.00 283 98.37 100.00 1.03e-79 . . . . 4945 1 11 no REF NP_014749 . "Vam3p [Saccharomyces cerevisiae S288c]" . . . . . 100.00 283 99.19 100.00 2.12e-80 . . . . 4945 1 12 no SP Q12241 . "RecName: Full=Syntaxin VAM3; AltName: Full=Vacuolar morphogenesis protein 3 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 283 99.19 100.00 2.12e-80 . . . . 4945 1 13 no TPG DAA10881 . "TPA: SNAP receptor VAM3 [Saccharomyces cerevisiae S288c]" . . . . . 100.00 283 99.19 100.00 2.12e-80 . . . . 4945 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID 'single chain biopolimer' common 4945 1 Vam3N abbreviation 4945 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 13 GLY . 4945 1 2 14 SER . 4945 1 3 15 SER . 4945 1 4 16 GLN . 4945 1 5 17 GLN . 4945 1 6 18 GLU . 4945 1 7 19 PRO . 4945 1 8 20 GLN . 4945 1 9 21 PHE . 4945 1 10 22 SER . 4945 1 11 23 THR . 4945 1 12 24 ASN . 4945 1 13 25 GLN . 4945 1 14 26 LYS . 4945 1 15 27 THR . 4945 1 16 28 LYS . 4945 1 17 29 GLU . 4945 1 18 30 LEU . 4945 1 19 31 SER . 4945 1 20 32 ASN . 4945 1 21 33 LEU . 4945 1 22 34 ILE . 4945 1 23 35 GLU . 4945 1 24 36 THR . 4945 1 25 37 PHE . 4945 1 26 38 ALA . 4945 1 27 39 GLU . 4945 1 28 40 GLN . 4945 1 29 41 SER . 4945 1 30 42 ARG . 4945 1 31 43 VAL . 4945 1 32 44 LEU . 4945 1 33 45 GLU . 4945 1 34 46 LYS . 4945 1 35 47 GLU . 4945 1 36 48 CYS . 4945 1 37 49 THR . 4945 1 38 50 LYS . 4945 1 39 51 ILE . 4945 1 40 52 GLY . 4945 1 41 53 SER . 4945 1 42 54 LYS . 4945 1 43 55 ARG . 4945 1 44 56 ASP . 4945 1 45 57 SER . 4945 1 46 58 LYS . 4945 1 47 59 GLU . 4945 1 48 60 LEU . 4945 1 49 61 ARG . 4945 1 50 62 TYR . 4945 1 51 63 LYS . 4945 1 52 64 ILE . 4945 1 53 65 GLU . 4945 1 54 66 THR . 4945 1 55 67 GLU . 4945 1 56 68 LEU . 4945 1 57 69 ILE . 4945 1 58 70 PRO . 4945 1 59 71 ASN . 4945 1 60 72 CYS . 4945 1 61 73 THR . 4945 1 62 74 SER . 4945 1 63 75 VAL . 4945 1 64 76 ARG . 4945 1 65 77 ASP . 4945 1 66 78 LYS . 4945 1 67 79 ILE . 4945 1 68 80 GLU . 4945 1 69 81 SER . 4945 1 70 82 ASN . 4945 1 71 83 ILE . 4945 1 72 84 LEU . 4945 1 73 85 ILE . 4945 1 74 86 HIS . 4945 1 75 87 GLN . 4945 1 76 88 ASN . 4945 1 77 89 GLY . 4945 1 78 90 LYS . 4945 1 79 91 LEU . 4945 1 80 92 SER . 4945 1 81 93 ALA . 4945 1 82 94 ASP . 4945 1 83 95 PHE . 4945 1 84 96 LYS . 4945 1 85 97 ASN . 4945 1 86 98 LEU . 4945 1 87 99 LYS . 4945 1 88 100 THR . 4945 1 89 101 LYS . 4945 1 90 102 TYR . 4945 1 91 103 GLN . 4945 1 92 104 SER . 4945 1 93 105 LEU . 4945 1 94 106 GLN . 4945 1 95 107 GLN . 4945 1 96 108 SER . 4945 1 97 109 TYR . 4945 1 98 110 ASN . 4945 1 99 111 GLN . 4945 1 100 112 ARG . 4945 1 101 113 LYS . 4945 1 102 114 SER . 4945 1 103 115 LEU . 4945 1 104 116 PHE . 4945 1 105 117 PRO . 4945 1 106 118 LEU . 4945 1 107 119 LYS . 4945 1 108 120 THR . 4945 1 109 121 PRO . 4945 1 110 122 ILE . 4945 1 111 123 SER . 4945 1 112 124 PRO . 4945 1 113 125 GLY . 4945 1 114 126 THR . 4945 1 115 127 SER . 4945 1 116 128 LYS . 4945 1 117 129 GLU . 4945 1 118 130 ARG . 4945 1 119 131 LYS . 4945 1 120 132 ASP . 4945 1 121 133 ILE . 4945 1 122 134 HIS . 4945 1 123 135 PRO . 4945 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 4945 1 . SER 2 2 4945 1 . SER 3 3 4945 1 . GLN 4 4 4945 1 . GLN 5 5 4945 1 . GLU 6 6 4945 1 . PRO 7 7 4945 1 . GLN 8 8 4945 1 . PHE 9 9 4945 1 . SER 10 10 4945 1 . THR 11 11 4945 1 . ASN 12 12 4945 1 . GLN 13 13 4945 1 . LYS 14 14 4945 1 . THR 15 15 4945 1 . LYS 16 16 4945 1 . GLU 17 17 4945 1 . LEU 18 18 4945 1 . SER 19 19 4945 1 . ASN 20 20 4945 1 . LEU 21 21 4945 1 . ILE 22 22 4945 1 . GLU 23 23 4945 1 . THR 24 24 4945 1 . PHE 25 25 4945 1 . ALA 26 26 4945 1 . GLU 27 27 4945 1 . GLN 28 28 4945 1 . SER 29 29 4945 1 . ARG 30 30 4945 1 . VAL 31 31 4945 1 . LEU 32 32 4945 1 . GLU 33 33 4945 1 . LYS 34 34 4945 1 . GLU 35 35 4945 1 . CYS 36 36 4945 1 . THR 37 37 4945 1 . LYS 38 38 4945 1 . ILE 39 39 4945 1 . GLY 40 40 4945 1 . SER 41 41 4945 1 . LYS 42 42 4945 1 . ARG 43 43 4945 1 . ASP 44 44 4945 1 . SER 45 45 4945 1 . LYS 46 46 4945 1 . GLU 47 47 4945 1 . LEU 48 48 4945 1 . ARG 49 49 4945 1 . TYR 50 50 4945 1 . LYS 51 51 4945 1 . ILE 52 52 4945 1 . GLU 53 53 4945 1 . THR 54 54 4945 1 . GLU 55 55 4945 1 . LEU 56 56 4945 1 . ILE 57 57 4945 1 . PRO 58 58 4945 1 . ASN 59 59 4945 1 . CYS 60 60 4945 1 . THR 61 61 4945 1 . SER 62 62 4945 1 . VAL 63 63 4945 1 . ARG 64 64 4945 1 . ASP 65 65 4945 1 . LYS 66 66 4945 1 . ILE 67 67 4945 1 . GLU 68 68 4945 1 . SER 69 69 4945 1 . ASN 70 70 4945 1 . ILE 71 71 4945 1 . LEU 72 72 4945 1 . ILE 73 73 4945 1 . HIS 74 74 4945 1 . GLN 75 75 4945 1 . ASN 76 76 4945 1 . GLY 77 77 4945 1 . LYS 78 78 4945 1 . LEU 79 79 4945 1 . SER 80 80 4945 1 . ALA 81 81 4945 1 . ASP 82 82 4945 1 . PHE 83 83 4945 1 . LYS 84 84 4945 1 . ASN 85 85 4945 1 . LEU 86 86 4945 1 . LYS 87 87 4945 1 . THR 88 88 4945 1 . LYS 89 89 4945 1 . TYR 90 90 4945 1 . GLN 91 91 4945 1 . SER 92 92 4945 1 . LEU 93 93 4945 1 . GLN 94 94 4945 1 . GLN 95 95 4945 1 . SER 96 96 4945 1 . TYR 97 97 4945 1 . ASN 98 98 4945 1 . GLN 99 99 4945 1 . ARG 100 100 4945 1 . LYS 101 101 4945 1 . SER 102 102 4945 1 . LEU 103 103 4945 1 . PHE 104 104 4945 1 . PRO 105 105 4945 1 . LEU 106 106 4945 1 . LYS 107 107 4945 1 . THR 108 108 4945 1 . PRO 109 109 4945 1 . ILE 110 110 4945 1 . SER 111 111 4945 1 . PRO 112 112 4945 1 . GLY 113 113 4945 1 . THR 114 114 4945 1 . SER 115 115 4945 1 . LYS 116 116 4945 1 . GLU 117 117 4945 1 . ARG 118 118 4945 1 . LYS 119 119 4945 1 . ASP 120 120 4945 1 . ILE 121 121 4945 1 . HIS 122 122 4945 1 . PRO 123 123 4945 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 4945 _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 $Vam3N . 4932 . . 'Saccharomyces cerevisiae' 'baker's yeast' . . Eukaryota Fungi Saccharomyces cerevisiae . . . . . . . . . . . . . . . . . . . . . 4945 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 4945 _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 $Vam3N . 'recombinant technology' 'Escherichia coli' 'E. coli' . . Escherichia coli BL21(DE3) . . . . . . . . . . . . plasmid . . pGex-KT . . . . . . 4945 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 4945 _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 'single chain biopolimer' '[U-99% 15N]' . . 1 $Vam3N . . 0.9 . . mM . . . . 4945 1 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4945 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 4945 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'single chain biopolimer' '[U-99% 13C; U-99% 15N]' . . 1 $Vam3N . . 0.85 . . mM . . . . 4945 2 2 'phosphate buffer' . . . . . . . 20 . . mM . . . . 4945 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_cond_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_cond_1 _Sample_condition_list.Entry_ID 4945 _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 6.0 0.2 n/a 4945 1 temperature 303 0.5 K 4945 1 'ionic strength' 20 . mM 4945 1 pressure 1 . atm 4945 1 stop_ save_ ############################ # Computer software used # ############################ save_VNMR _Software.Sf_category software _Software.Sf_framecode VNMR _Software.Entry_ID 4945 _Software.ID 1 _Software.Name VNMR _Software.Version 6.1B _Software.Details Varian loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 4945 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 4945 _Software.ID 2 _Software.Name NMRPipe _Software.Version 1.7 _Software.Details Delaglio loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 4945 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 4945 _Software.ID 3 _Software.Name NMRView _Software.Version 4.1 _Software.Details Johnson loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 4945 3 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 4945 _Software.ID 4 _Software.Name CNS _Software.Version 0.9 _Software.Details Brunger loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 4945 4 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 4945 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_NMR_spectrometer2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode NMR_spectrometer2 _NMR_spectrometer.Entry_ID 4945 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode spectrometer_list _NMR_spectrometer_list.Entry_ID 4945 _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 INOVA . 500 . . . 4945 1 2 NMR_spectrometer2 Varian INOVA . 600 . . . 4945 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 4945 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '3D 15N-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4945 1 2 '2D NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4945 1 3 HNHA . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4945 1 4 '3D 13C-separated NOESY' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 4945 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 4945 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name '3D 15N-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ save_NMR_spec_expt__0_2 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_2 _NMR_spec_expt.Entry_ID 4945 _NMR_spec_expt.ID 2 _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_3 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_3 _NMR_spec_expt.Entry_ID 4945 _NMR_spec_expt.ID 3 _NMR_spec_expt.Name 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_4 _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode NMR_spec_expt__0_4 _NMR_spec_expt.Entry_ID 4945 _NMR_spec_expt.ID 4 _NMR_spec_expt.Name '3D 13C-separated NOESY' _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID . _NMR_spec_expt.NMR_spectrometer_label . _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference _Chem_shift_reference.Entry_ID 4945 _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 . . . . . . . . . 4945 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 4945 1 C 13 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.251449530 . . . . . . . . . 4945 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_shift_set_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode shift_set_1 _Assigned_chem_shift_list.Entry_ID 4945 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_cond_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 . 4945 1 . . 2 $sample_2 . 4945 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 3 3 SER H H 1 8.49 0.03 . 1 . . . . . . . . 4945 1 2 . 1 1 3 3 SER HA H 1 4.45 0.03 . 1 . . . . . . . . 4945 1 3 . 1 1 3 3 SER HB2 H 1 3.86 0.03 . 1 . . . . . . . . 4945 1 4 . 1 1 3 3 SER HB3 H 1 3.86 0.03 . 1 . . . . . . . . 4945 1 5 . 1 1 3 3 SER C C 13 174.57 0.12 . 1 . . . . . . . . 4945 1 6 . 1 1 3 3 SER CA C 13 58.30 0.12 . 1 . . . . . . . . 4945 1 7 . 1 1 3 3 SER CB C 13 63.60 0.12 . 1 . . . . . . . . 4945 1 8 . 1 1 3 3 SER N N 15 118.20 0.15 . 1 . . . . . . . . 4945 1 9 . 1 1 4 4 GLN H H 1 8.36 0.03 . 1 . . . . . . . . 4945 1 10 . 1 1 4 4 GLN HA H 1 4.28 0.03 . 1 . . . . . . . . 4945 1 11 . 1 1 4 4 GLN HB2 H 1 1.95 0.03 . 1 . . . . . . . . 4945 1 12 . 1 1 4 4 GLN HB3 H 1 2.07 0.03 . 1 . . . . . . . . 4945 1 13 . 1 1 4 4 GLN HG2 H 1 2.31 0.03 . 1 . . . . . . . . 4945 1 14 . 1 1 4 4 GLN HG3 H 1 2.31 0.03 . 1 . . . . . . . . 4945 1 15 . 1 1 4 4 GLN C C 13 174.37 0.12 . 1 . . . . . . . . 4945 1 16 . 1 1 4 4 GLN CA C 13 55.78 0.12 . 1 . . . . . . . . 4945 1 17 . 1 1 4 4 GLN CB C 13 29.40 0.12 . 1 . . . . . . . . 4945 1 18 . 1 1 4 4 GLN CG C 13 33.70 0.12 . 1 . . . . . . . . 4945 1 19 . 1 1 4 4 GLN N N 15 121.76 0.15 . 1 . . . . . . . . 4945 1 20 . 1 1 5 5 GLN H H 1 8.28 0.03 . 1 . . . . . . . . 4945 1 21 . 1 1 5 5 GLN HA H 1 4.30 0.03 . 1 . . . . . . . . 4945 1 22 . 1 1 5 5 GLN HB2 H 1 1.92 0.03 . 1 . . . . . . . . 4945 1 23 . 1 1 5 5 GLN HB3 H 1 2.05 0.03 . 1 . . . . . . . . 4945 1 24 . 1 1 5 5 GLN HG2 H 1 2.30 0.03 . 1 . . . . . . . . 4945 1 25 . 1 1 5 5 GLN HG3 H 1 2.30 0.03 . 1 . . . . . . . . 4945 1 26 . 1 1 5 5 GLN C C 13 175.53 0.12 . 1 . . . . . . . . 4945 1 27 . 1 1 5 5 GLN CA C 13 55.60 0.12 . 1 . . . . . . . . 4945 1 28 . 1 1 5 5 GLN CB C 13 29.50 0.12 . 1 . . . . . . . . 4945 1 29 . 1 1 5 5 GLN CG C 13 33.80 0.12 . 1 . . . . . . . . 4945 1 30 . 1 1 5 5 GLN N N 15 121.14 0.15 . 1 . . . . . . . . 4945 1 31 . 1 1 6 6 GLU H H 1 8.38 0.03 . 1 . . . . . . . . 4945 1 32 . 1 1 6 6 GLU HA H 1 4.53 0.03 . 1 . . . . . . . . 4945 1 33 . 1 1 6 6 GLU HB2 H 1 1.88 0.03 . 1 . . . . . . . . 4945 1 34 . 1 1 6 6 GLU HB3 H 1 2.03 0.03 . 1 . . . . . . . . 4945 1 35 . 1 1 6 6 GLU HG2 H 1 2.27 0.03 . 1 . . . . . . . . 4945 1 36 . 1 1 6 6 GLU HG3 H 1 2.27 0.03 . 1 . . . . . . . . 4945 1 37 . 1 1 6 6 GLU C C 13 175.53 0.12 . 1 . . . . . . . . 4945 1 38 . 1 1 6 6 GLU CA C 13 54.60 0.12 . 1 . . . . . . . . 4945 1 39 . 1 1 6 6 GLU CB C 13 29.50 0.12 . 1 . . . . . . . . 4945 1 40 . 1 1 6 6 GLU CG C 13 36.10 0.12 . 1 . . . . . . . . 4945 1 41 . 1 1 6 6 GLU N N 15 123.77 0.15 . 1 . . . . . . . . 4945 1 42 . 1 1 7 7 PRO HA H 1 4.33 0.03 . 1 . . . . . . . . 4945 1 43 . 1 1 7 7 PRO HB2 H 1 1.74 0.03 . 1 . . . . . . . . 4945 1 44 . 1 1 7 7 PRO HB3 H 1 2.21 0.03 . 1 . . . . . . . . 4945 1 45 . 1 1 7 7 PRO HG2 H 1 1.99 0.03 . 1 . . . . . . . . 4945 1 46 . 1 1 7 7 PRO HG3 H 1 1.99 0.03 . 1 . . . . . . . . 4945 1 47 . 1 1 7 7 PRO HD2 H 1 3.67 0.03 . 1 . . . . . . . . 4945 1 48 . 1 1 7 7 PRO HD3 H 1 3.79 0.03 . 1 . . . . . . . . 4945 1 49 . 1 1 7 7 PRO C C 13 174.70 0.12 . 1 . . . . . . . . 4945 1 50 . 1 1 7 7 PRO CA C 13 63.30 0.12 . 1 . . . . . . . . 4945 1 51 . 1 1 7 7 PRO CB C 13 31.94 0.12 . 1 . . . . . . . . 4945 1 52 . 1 1 7 7 PRO CG C 13 27.40 0.12 . 1 . . . . . . . . 4945 1 53 . 1 1 7 7 PRO CD C 13 50.46 0.12 . 1 . . . . . . . . 4945 1 54 . 1 1 8 8 GLN H H 1 8.46 0.03 . 1 . . . . . . . . 4945 1 55 . 1 1 8 8 GLN HA H 1 4.19 0.03 . 1 . . . . . . . . 4945 1 56 . 1 1 8 8 GLN HB2 H 1 1.88 0.03 . 1 . . . . . . . . 4945 1 57 . 1 1 8 8 GLN HB3 H 1 1.94 0.03 . 1 . . . . . . . . 4945 1 58 . 1 1 8 8 GLN HG2 H 1 2.18 0.03 . 1 . . . . . . . . 4945 1 59 . 1 1 8 8 GLN HG3 H 1 2.24 0.03 . 1 . . . . . . . . 4945 1 60 . 1 1 8 8 GLN C C 13 176.89 0.12 . 1 . . . . . . . . 4945 1 61 . 1 1 8 8 GLN CA C 13 55.90 0.12 . 1 . . . . . . . . 4945 1 62 . 1 1 8 8 GLN CB C 13 29.10 0.12 . 1 . . . . . . . . 4945 1 63 . 1 1 8 8 GLN CG C 13 33.50 0.12 . 1 . . . . . . . . 4945 1 64 . 1 1 8 8 GLN N N 15 119.91 0.15 . 1 . . . . . . . . 4945 1 65 . 1 1 9 9 PHE H H 1 8.11 0.03 . 1 . . . . . . . . 4945 1 66 . 1 1 9 9 PHE HA H 1 4.63 0.03 . 1 . . . . . . . . 4945 1 67 . 1 1 9 9 PHE HB2 H 1 3.03 0.03 . 1 . . . . . . . . 4945 1 68 . 1 1 9 9 PHE HB3 H 1 3.17 0.03 . 1 . . . . . . . . 4945 1 69 . 1 1 9 9 PHE HD1 H 1 7.21 0.03 . 1 . . . . . . . . 4945 1 70 . 1 1 9 9 PHE HD2 H 1 7.21 0.03 . 1 . . . . . . . . 4945 1 71 . 1 1 9 9 PHE HE1 H 1 7.30 0.03 . 1 . . . . . . . . 4945 1 72 . 1 1 9 9 PHE HE2 H 1 7.30 0.03 . 1 . . . . . . . . 4945 1 73 . 1 1 9 9 PHE C C 13 175.83 0.12 . 1 . . . . . . . . 4945 1 74 . 1 1 9 9 PHE CA C 13 57.70 0.12 . 1 . . . . . . . . 4945 1 75 . 1 1 9 9 PHE CB C 13 39.30 0.12 . 1 . . . . . . . . 4945 1 76 . 1 1 9 9 PHE N N 15 120.06 0.15 . 1 . . . . . . . . 4945 1 77 . 1 1 10 10 SER H H 1 8.21 0.03 . 1 . . . . . . . . 4945 1 78 . 1 1 10 10 SER HA H 1 4.44 0.03 . 1 . . . . . . . . 4945 1 79 . 1 1 10 10 SER HB2 H 1 3.85 0.03 . 1 . . . . . . . . 4945 1 80 . 1 1 10 10 SER HB3 H 1 3.85 0.03 . 1 . . . . . . . . 4945 1 81 . 1 1 10 10 SER C C 13 175.94 0.12 . 1 . . . . . . . . 4945 1 82 . 1 1 10 10 SER CA C 13 58.00 0.12 . 1 . . . . . . . . 4945 1 83 . 1 1 10 10 SER CB C 13 63.50 0.12 . 1 . . . . . . . . 4945 1 84 . 1 1 10 10 SER N N 15 116.60 0.15 . 1 . . . . . . . . 4945 1 85 . 1 1 11 11 THR H H 1 8.23 0.03 . 1 . . . . . . . . 4945 1 86 . 1 1 11 11 THR HA H 1 4.20 0.03 . 1 . . . . . . . . 4945 1 87 . 1 1 11 11 THR HB H 1 4.23 0.03 . 1 . . . . . . . . 4945 1 88 . 1 1 11 11 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 4945 1 89 . 1 1 11 11 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 4945 1 90 . 1 1 11 11 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 4945 1 91 . 1 1 11 11 THR C C 13 175.09 0.12 . 1 . . . . . . . . 4945 1 92 . 1 1 11 11 THR CA C 13 63.20 0.12 . 1 . . . . . . . . 4945 1 93 . 1 1 11 11 THR CB C 13 69.01 0.12 . 1 . . . . . . . . 4945 1 94 . 1 1 11 11 THR CG2 C 13 21.76 0.12 . 1 . . . . . . . . 4945 1 95 . 1 1 11 11 THR N N 15 116.54 0.15 . 1 . . . . . . . . 4945 1 96 . 1 1 12 12 ASN H H 1 8.49 0.03 . 1 . . . . . . . . 4945 1 97 . 1 1 12 12 ASN HA H 1 4.58 0.03 . 1 . . . . . . . . 4945 1 98 . 1 1 12 12 ASN HB2 H 1 2.85 0.03 . 1 . . . . . . . . 4945 1 99 . 1 1 12 12 ASN HB3 H 1 2.85 0.03 . 1 . . . . . . . . 4945 1 100 . 1 1 12 12 ASN C C 13 175.33 0.12 . 1 . . . . . . . . 4945 1 101 . 1 1 12 12 ASN CA C 13 54.45 0.12 . 1 . . . . . . . . 4945 1 102 . 1 1 12 12 ASN CB C 13 38.40 0.12 . 1 . . . . . . . . 4945 1 103 . 1 1 12 12 ASN N N 15 121.30 0.15 . 1 . . . . . . . . 4945 1 104 . 1 1 12 12 ASN ND2 N 15 112.80 0.15 . 1 . . . . . . . . 4945 1 105 . 1 1 13 13 GLN H H 1 8.36 0.03 . 1 . . . . . . . . 4945 1 106 . 1 1 13 13 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 4945 1 107 . 1 1 13 13 GLN HB2 H 1 2.06 0.03 . 1 . . . . . . . . 4945 1 108 . 1 1 13 13 GLN HB3 H 1 2.06 0.03 . 1 . . . . . . . . 4945 1 109 . 1 1 13 13 GLN HG2 H 1 2.34 0.03 . 1 . . . . . . . . 4945 1 110 . 1 1 13 13 GLN HG3 H 1 2.34 0.03 . 1 . . . . . . . . 4945 1 111 . 1 1 13 13 GLN HE22 H 1 7.54 0.03 . 1 . . . . . . . . 4945 1 112 . 1 1 13 13 GLN C C 13 176.36 0.12 . 1 . . . . . . . . 4945 1 113 . 1 1 13 13 GLN CA C 13 58.38 0.12 . 1 . . . . . . . . 4945 1 114 . 1 1 13 13 GLN CB C 13 28.20 0.12 . 1 . . . . . . . . 4945 1 115 . 1 1 13 13 GLN CG C 13 33.40 0.12 . 1 . . . . . . . . 4945 1 116 . 1 1 13 13 GLN N N 15 121.10 0.15 . 1 . . . . . . . . 4945 1 117 . 1 1 13 13 GLN NE2 N 15 112.30 0.15 . 1 . . . . . . . . 4945 1 118 . 1 1 14 14 LYS H H 1 8.25 0.03 . 1 . . . . . . . . 4945 1 119 . 1 1 14 14 LYS HA H 1 4.11 0.03 . 1 . . . . . . . . 4945 1 120 . 1 1 14 14 LYS HB2 H 1 1.85 0.03 . 1 . . . . . . . . 4945 1 121 . 1 1 14 14 LYS HB3 H 1 1.85 0.03 . 1 . . . . . . . . 4945 1 122 . 1 1 14 14 LYS HG2 H 1 1.45 0.03 . 1 . . . . . . . . 4945 1 123 . 1 1 14 14 LYS HG3 H 1 1.53 0.03 . 1 . . . . . . . . 4945 1 124 . 1 1 14 14 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 4945 1 125 . 1 1 14 14 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 4945 1 126 . 1 1 14 14 LYS HE2 H 1 2.94 0.03 . 1 . . . . . . . . 4945 1 127 . 1 1 14 14 LYS HE3 H 1 2.94 0.03 . 1 . . . . . . . . 4945 1 128 . 1 1 14 14 LYS C C 13 177.95 0.12 . 1 . . . . . . . . 4945 1 129 . 1 1 14 14 LYS CA C 13 58.39 0.12 . 1 . . . . . . . . 4945 1 130 . 1 1 14 14 LYS CB C 13 32.08 0.12 . 1 . . . . . . . . 4945 1 131 . 1 1 14 14 LYS CG C 13 25.22 0.12 . 1 . . . . . . . . 4945 1 132 . 1 1 14 14 LYS CD C 13 28.75 0.12 . 1 . . . . . . . . 4945 1 133 . 1 1 14 14 LYS N N 15 119.14 0.15 . 1 . . . . . . . . 4945 1 134 . 1 1 15 15 THR H H 1 8.10 0.03 . 1 . . . . . . . . 4945 1 135 . 1 1 15 15 THR HA H 1 3.83 0.03 . 1 . . . . . . . . 4945 1 136 . 1 1 15 15 THR HB H 1 4.24 0.03 . 1 . . . . . . . . 4945 1 137 . 1 1 15 15 THR HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 138 . 1 1 15 15 THR HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 139 . 1 1 15 15 THR HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 140 . 1 1 15 15 THR C C 13 179.31 0.12 . 1 . . . . . . . . 4945 1 141 . 1 1 15 15 THR CA C 13 65.90 0.12 . 1 . . . . . . . . 4945 1 142 . 1 1 15 15 THR CB C 13 68.10 0.12 . 1 . . . . . . . . 4945 1 143 . 1 1 15 15 THR CG2 C 13 21.80 0.12 . 1 . . . . . . . . 4945 1 144 . 1 1 15 15 THR N N 15 116.21 0.15 . 1 . . . . . . . . 4945 1 145 . 1 1 16 16 LYS H H 1 7.90 0.03 . 1 . . . . . . . . 4945 1 146 . 1 1 16 16 LYS HA H 1 4.03 0.03 . 1 . . . . . . . . 4945 1 147 . 1 1 16 16 LYS HB2 H 1 1.86 0.03 . 1 . . . . . . . . 4945 1 148 . 1 1 16 16 LYS HB3 H 1 1.86 0.03 . 1 . . . . . . . . 4945 1 149 . 1 1 16 16 LYS HG2 H 1 1.41 0.03 . 1 . . . . . . . . 4945 1 150 . 1 1 16 16 LYS HG3 H 1 1.41 0.03 . 1 . . . . . . . . 4945 1 151 . 1 1 16 16 LYS HD2 H 1 1.63 0.03 . 1 . . . . . . . . 4945 1 152 . 1 1 16 16 LYS HD3 H 1 1.63 0.03 . 1 . . . . . . . . 4945 1 153 . 1 1 16 16 LYS HE2 H 1 2.94 0.03 . 1 . . . . . . . . 4945 1 154 . 1 1 16 16 LYS HE3 H 1 2.94 0.03 . 1 . . . . . . . . 4945 1 155 . 1 1 16 16 LYS C C 13 175.78 0.12 . 1 . . . . . . . . 4945 1 156 . 1 1 16 16 LYS CA C 13 58.97 0.12 . 1 . . . . . . . . 4945 1 157 . 1 1 16 16 LYS CB C 13 31.80 0.12 . 1 . . . . . . . . 4945 1 158 . 1 1 16 16 LYS CG C 13 24.50 0.12 . 1 . . . . . . . . 4945 1 159 . 1 1 16 16 LYS CD C 13 28.86 0.12 . 1 . . . . . . . . 4945 1 160 . 1 1 16 16 LYS N N 15 123.92 0.15 . 1 . . . . . . . . 4945 1 161 . 1 1 17 17 GLU H H 1 8.04 0.03 . 1 . . . . . . . . 4945 1 162 . 1 1 17 17 GLU HA H 1 3.99 0.03 . 1 . . . . . . . . 4945 1 163 . 1 1 17 17 GLU HB2 H 1 2.04 0.03 . 1 . . . . . . . . 4945 1 164 . 1 1 17 17 GLU HB3 H 1 2.04 0.03 . 1 . . . . . . . . 4945 1 165 . 1 1 17 17 GLU HG2 H 1 2.13 0.03 . 1 . . . . . . . . 4945 1 166 . 1 1 17 17 GLU HG3 H 1 2.35 0.03 . 1 . . . . . . . . 4945 1 167 . 1 1 17 17 GLU C C 13 178.25 0.12 . 1 . . . . . . . . 4945 1 168 . 1 1 17 17 GLU CA C 13 59.30 0.12 . 1 . . . . . . . . 4945 1 169 . 1 1 17 17 GLU CB C 13 29.40 0.12 . 1 . . . . . . . . 4945 1 170 . 1 1 17 17 GLU CG C 13 36.10 0.12 . 1 . . . . . . . . 4945 1 171 . 1 1 17 17 GLU N N 15 118.83 0.15 . 1 . . . . . . . . 4945 1 172 . 1 1 18 18 LEU H H 1 7.71 0.03 . 1 . . . . . . . . 4945 1 173 . 1 1 18 18 LEU HA H 1 4.09 0.03 . 1 . . . . . . . . 4945 1 174 . 1 1 18 18 LEU HB2 H 1 1.53 0.03 . 1 . . . . . . . . 4945 1 175 . 1 1 18 18 LEU HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4945 1 176 . 1 1 18 18 LEU HG H 1 1.53 0.03 . 1 . . . . . . . . 4945 1 177 . 1 1 18 18 LEU HD11 H 1 0.85 0.03 . 1 . . . . . . . . 4945 1 178 . 1 1 18 18 LEU HD12 H 1 0.85 0.03 . 1 . . . . . . . . 4945 1 179 . 1 1 18 18 LEU HD13 H 1 0.85 0.03 . 1 . . . . . . . . 4945 1 180 . 1 1 18 18 LEU HD21 H 1 0.71 0.03 . 1 . . . . . . . . 4945 1 181 . 1 1 18 18 LEU HD22 H 1 0.71 0.03 . 1 . . . . . . . . 4945 1 182 . 1 1 18 18 LEU HD23 H 1 0.71 0.03 . 1 . . . . . . . . 4945 1 183 . 1 1 18 18 LEU C C 13 179.01 0.12 . 1 . . . . . . . . 4945 1 184 . 1 1 18 18 LEU CA C 13 57.53 0.12 . 1 . . . . . . . . 4945 1 185 . 1 1 18 18 LEU CB C 13 41.29 0.12 . 1 . . . . . . . . 4945 1 186 . 1 1 18 18 LEU CD1 C 13 23.60 0.12 . 1 . . . . . . . . 4945 1 187 . 1 1 18 18 LEU CD2 C 13 26.16 0.12 . 1 . . . . . . . . 4945 1 188 . 1 1 18 18 LEU N N 15 120.37 0.15 . 1 . . . . . . . . 4945 1 189 . 1 1 19 19 SER H H 1 8.56 0.03 . 1 . . . . . . . . 4945 1 190 . 1 1 19 19 SER HA H 1 4.03 0.03 . 1 . . . . . . . . 4945 1 191 . 1 1 19 19 SER HB2 H 1 3.94 0.03 . 1 . . . . . . . . 4945 1 192 . 1 1 19 19 SER HB3 H 1 3.94 0.03 . 1 . . . . . . . . 4945 1 193 . 1 1 19 19 SER C C 13 178.05 0.12 . 1 . . . . . . . . 4945 1 194 . 1 1 19 19 SER CA C 13 62.20 0.12 . 1 . . . . . . . . 4945 1 195 . 1 1 19 19 SER CB C 13 63.60 0.12 . 1 . . . . . . . . 4945 1 196 . 1 1 19 19 SER N N 15 114.66 0.15 . 1 . . . . . . . . 4945 1 197 . 1 1 20 20 ASN H H 1 8.28 0.03 . 1 . . . . . . . . 4945 1 198 . 1 1 20 20 ASN HA H 1 4.48 0.03 . 1 . . . . . . . . 4945 1 199 . 1 1 20 20 ASN HB2 H 1 2.83 0.03 . 1 . . . . . . . . 4945 1 200 . 1 1 20 20 ASN HB3 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 201 . 1 1 20 20 ASN HD21 H 1 7.61 0.03 . 2 . . . . . . . . 4945 1 202 . 1 1 20 20 ASN HD22 H 1 6.79 0.03 . 2 . . . . . . . . 4945 1 203 . 1 1 20 20 ASN C C 13 176.94 0.12 . 1 . . . . . . . . 4945 1 204 . 1 1 20 20 ASN CA C 13 55.90 0.12 . 1 . . . . . . . . 4945 1 205 . 1 1 20 20 ASN CB C 13 37.88 0.12 . 1 . . . . . . . . 4945 1 206 . 1 1 20 20 ASN N N 15 119.75 0.15 . 1 . . . . . . . . 4945 1 207 . 1 1 21 21 LEU H H 1 7.99 0.03 . 1 . . . . . . . . 4945 1 208 . 1 1 21 21 LEU HA H 1 4.08 0.03 . 1 . . . . . . . . 4945 1 209 . 1 1 21 21 LEU HB2 H 1 1.39 0.03 . 1 . . . . . . . . 4945 1 210 . 1 1 21 21 LEU HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4945 1 211 . 1 1 21 21 LEU HG H 1 1.77 0.03 . 1 . . . . . . . . 4945 1 212 . 1 1 21 21 LEU HD11 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 213 . 1 1 21 21 LEU HD12 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 214 . 1 1 21 21 LEU HD13 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 215 . 1 1 21 21 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 4945 1 216 . 1 1 21 21 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 4945 1 217 . 1 1 21 21 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 4945 1 218 . 1 1 21 21 LEU C C 13 178.05 0.12 . 1 . . . . . . . . 4945 1 219 . 1 1 21 21 LEU CA C 13 58.00 0.12 . 1 . . . . . . . . 4945 1 220 . 1 1 21 21 LEU CB C 13 42.40 0.12 . 1 . . . . . . . . 4945 1 221 . 1 1 21 21 LEU CD1 C 13 25.20 0.12 . 1 . . . . . . . . 4945 1 222 . 1 1 21 21 LEU CD2 C 13 23.90 0.12 . 1 . . . . . . . . 4945 1 223 . 1 1 21 21 LEU N N 15 122.99 0.15 . 1 . . . . . . . . 4945 1 224 . 1 1 22 22 ILE H H 1 8.23 0.03 . 1 . . . . . . . . 4945 1 225 . 1 1 22 22 ILE HA H 1 3.71 0.03 . 1 . . . . . . . . 4945 1 226 . 1 1 22 22 ILE HB H 1 2.06 0.03 . 1 . . . . . . . . 4945 1 227 . 1 1 22 22 ILE HG12 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 228 . 1 1 22 22 ILE HG13 H 1 1.81 0.03 . 1 . . . . . . . . 4945 1 229 . 1 1 22 22 ILE HG21 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 230 . 1 1 22 22 ILE HG22 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 231 . 1 1 22 22 ILE HG23 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 232 . 1 1 22 22 ILE HD11 H 1 0.88 0.03 . 1 . . . . . . . . 4945 1 233 . 1 1 22 22 ILE HD12 H 1 0.88 0.03 . 1 . . . . . . . . 4945 1 234 . 1 1 22 22 ILE HD13 H 1 0.88 0.03 . 1 . . . . . . . . 4945 1 235 . 1 1 22 22 ILE C C 13 178.96 0.12 . 1 . . . . . . . . 4945 1 236 . 1 1 22 22 ILE CA C 13 65.96 0.12 . 1 . . . . . . . . 4945 1 237 . 1 1 22 22 ILE CB C 13 37.55 0.12 . 1 . . . . . . . . 4945 1 238 . 1 1 22 22 ILE CG1 C 13 31.00 0.12 . 1 . . . . . . . . 4945 1 239 . 1 1 22 22 ILE CG2 C 13 17.80 0.12 . 1 . . . . . . . . 4945 1 240 . 1 1 22 22 ILE CD1 C 13 15.00 0.12 . 1 . . . . . . . . 4945 1 241 . 1 1 22 22 ILE N N 15 121.30 0.15 . 1 . . . . . . . . 4945 1 242 . 1 1 23 23 GLU H H 1 8.15 0.03 . 1 . . . . . . . . 4945 1 243 . 1 1 23 23 GLU HA H 1 4.17 0.03 . 1 . . . . . . . . 4945 1 244 . 1 1 23 23 GLU HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4945 1 245 . 1 1 23 23 GLU HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4945 1 246 . 1 1 23 23 GLU HG2 H 1 2.32 0.03 . 1 . . . . . . . . 4945 1 247 . 1 1 23 23 GLU HG3 H 1 2.44 0.03 . 1 . . . . . . . . 4945 1 248 . 1 1 23 23 GLU C C 13 177.55 0.12 . 1 . . . . . . . . 4945 1 249 . 1 1 23 23 GLU CA C 13 59.40 0.12 . 1 . . . . . . . . 4945 1 250 . 1 1 23 23 GLU CB C 13 28.90 0.12 . 1 . . . . . . . . 4945 1 251 . 1 1 23 23 GLU CG C 13 36.00 0.12 . 1 . . . . . . . . 4945 1 252 . 1 1 23 23 GLU N N 15 119.75 0.15 . 1 . . . . . . . . 4945 1 253 . 1 1 24 24 THR H H 1 8.33 0.03 . 1 . . . . . . . . 4945 1 254 . 1 1 24 24 THR HA H 1 4.14 0.03 . 1 . . . . . . . . 4945 1 255 . 1 1 24 24 THR HB H 1 4.54 0.03 . 1 . . . . . . . . 4945 1 256 . 1 1 24 24 THR HG21 H 1 1.33 0.03 . 1 . . . . . . . . 4945 1 257 . 1 1 24 24 THR HG22 H 1 1.33 0.03 . 1 . . . . . . . . 4945 1 258 . 1 1 24 24 THR HG23 H 1 1.33 0.03 . 1 . . . . . . . . 4945 1 259 . 1 1 24 24 THR C C 13 179.61 0.12 . 1 . . . . . . . . 4945 1 260 . 1 1 24 24 THR CA C 13 66.80 0.12 . 1 . . . . . . . . 4945 1 261 . 1 1 24 24 THR CB C 13 68.20 0.12 . 1 . . . . . . . . 4945 1 262 . 1 1 24 24 THR CG2 C 13 21.50 0.12 . 1 . . . . . . . . 4945 1 263 . 1 1 24 24 THR N N 15 118.52 0.15 . 1 . . . . . . . . 4945 1 264 . 1 1 25 25 PHE H H 1 8.65 0.03 . 1 . . . . . . . . 4945 1 265 . 1 1 25 25 PHE HA H 1 4.54 0.03 . 1 . . . . . . . . 4945 1 266 . 1 1 25 25 PHE HB2 H 1 3.32 0.03 . 1 . . . . . . . . 4945 1 267 . 1 1 25 25 PHE HB3 H 1 3.50 0.03 . 1 . . . . . . . . 4945 1 268 . 1 1 25 25 PHE HD1 H 1 7.23 0.03 . 1 . . . . . . . . 4945 1 269 . 1 1 25 25 PHE HD2 H 1 7.23 0.03 . 1 . . . . . . . . 4945 1 270 . 1 1 25 25 PHE HE1 H 1 6.74 0.03 . 1 . . . . . . . . 4945 1 271 . 1 1 25 25 PHE HE2 H 1 6.74 0.03 . 1 . . . . . . . . 4945 1 272 . 1 1 25 25 PHE C C 13 175.99 0.12 . 1 . . . . . . . . 4945 1 273 . 1 1 25 25 PHE CA C 13 58.30 0.12 . 1 . . . . . . . . 4945 1 274 . 1 1 25 25 PHE CB C 13 38.40 0.12 . 1 . . . . . . . . 4945 1 275 . 1 1 25 25 PHE N N 15 123.61 0.15 . 1 . . . . . . . . 4945 1 276 . 1 1 26 26 ALA H H 1 8.81 0.03 . 1 . . . . . . . . 4945 1 277 . 1 1 26 26 ALA HA H 1 3.75 0.03 . 1 . . . . . . . . 4945 1 278 . 1 1 26 26 ALA HB1 H 1 1.57 0.03 . 1 . . . . . . . . 4945 1 279 . 1 1 26 26 ALA HB2 H 1 1.57 0.03 . 1 . . . . . . . . 4945 1 280 . 1 1 26 26 ALA HB3 H 1 1.57 0.03 . 1 . . . . . . . . 4945 1 281 . 1 1 26 26 ALA C C 13 178.30 0.12 . 1 . . . . . . . . 4945 1 282 . 1 1 26 26 ALA CA C 13 55.60 0.12 . 1 . . . . . . . . 4945 1 283 . 1 1 26 26 ALA CB C 13 18.10 0.12 . 1 . . . . . . . . 4945 1 284 . 1 1 26 26 ALA N N 15 124.23 0.15 . 1 . . . . . . . . 4945 1 285 . 1 1 27 27 GLU H H 1 8.48 0.03 . 1 . . . . . . . . 4945 1 286 . 1 1 27 27 GLU HA H 1 4.14 0.03 . 1 . . . . . . . . 4945 1 287 . 1 1 27 27 GLU HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4945 1 288 . 1 1 27 27 GLU HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4945 1 289 . 1 1 27 27 GLU HG2 H 1 2.32 0.03 . 1 . . . . . . . . 4945 1 290 . 1 1 27 27 GLU HG3 H 1 2.32 0.03 . 1 . . . . . . . . 4945 1 291 . 1 1 27 27 GLU C C 13 179.96 0.12 . 1 . . . . . . . . 4945 1 292 . 1 1 27 27 GLU CA C 13 59.14 0.12 . 1 . . . . . . . . 4945 1 293 . 1 1 27 27 GLU CB C 13 29.00 0.12 . 1 . . . . . . . . 4945 1 294 . 1 1 27 27 GLU CG C 13 35.10 0.12 . 1 . . . . . . . . 4945 1 295 . 1 1 27 27 GLU N N 15 120.53 0.15 . 1 . . . . . . . . 4945 1 296 . 1 1 28 28 GLN H H 1 8.98 0.03 . 1 . . . . . . . . 4945 1 297 . 1 1 28 28 GLN HA H 1 4.08 0.03 . 1 . . . . . . . . 4945 1 298 . 1 1 28 28 GLN HB2 H 1 2.07 0.03 . 1 . . . . . . . . 4945 1 299 . 1 1 28 28 GLN HB3 H 1 2.36 0.03 . 1 . . . . . . . . 4945 1 300 . 1 1 28 28 GLN HG2 H 1 2.51 0.03 . 1 . . . . . . . . 4945 1 301 . 1 1 28 28 GLN HG3 H 1 2.51 0.03 . 1 . . . . . . . . 4945 1 302 . 1 1 28 28 GLN HE22 H 1 7.02 0.03 . 1 . . . . . . . . 4945 1 303 . 1 1 28 28 GLN C C 13 179.01 0.12 . 1 . . . . . . . . 4945 1 304 . 1 1 28 28 GLN CA C 13 58.80 0.12 . 1 . . . . . . . . 4945 1 305 . 1 1 28 28 GLN CB C 13 28.99 0.12 . 1 . . . . . . . . 4945 1 306 . 1 1 28 28 GLN CG C 13 34.36 0.12 . 1 . . . . . . . . 4945 1 307 . 1 1 28 28 GLN N N 15 118.06 0.15 . 1 . . . . . . . . 4945 1 308 . 1 1 28 28 GLN NE2 N 15 109.60 0.15 . 1 . . . . . . . . 4945 1 309 . 1 1 29 29 SER H H 1 8.30 0.03 . 1 . . . . . . . . 4945 1 310 . 1 1 29 29 SER HA H 1 4.13 0.03 . 1 . . . . . . . . 4945 1 311 . 1 1 29 29 SER HB2 H 1 3.50 0.03 . 1 . . . . . . . . 4945 1 312 . 1 1 29 29 SER HB3 H 1 3.83 0.03 . 1 . . . . . . . . 4945 1 313 . 1 1 29 29 SER C C 13 179.91 0.12 . 1 . . . . . . . . 4945 1 314 . 1 1 29 29 SER CA C 13 62.80 0.12 . 1 . . . . . . . . 4945 1 315 . 1 1 29 29 SER CB C 13 62.80 0.12 . 1 . . . . . . . . 4945 1 316 . 1 1 29 29 SER N N 15 116.98 0.15 . 1 . . . . . . . . 4945 1 317 . 1 1 30 30 ARG H H 1 7.84 0.03 . 1 . . . . . . . . 4945 1 318 . 1 1 30 30 ARG HA H 1 4.12 0.03 . 1 . . . . . . . . 4945 1 319 . 1 1 30 30 ARG HB2 H 1 1.93 0.03 . 1 . . . . . . . . 4945 1 320 . 1 1 30 30 ARG HB3 H 1 2.05 0.03 . 1 . . . . . . . . 4945 1 321 . 1 1 30 30 ARG HG2 H 1 1.52 0.03 . 1 . . . . . . . . 4945 1 322 . 1 1 30 30 ARG HG3 H 1 1.79 0.03 . 1 . . . . . . . . 4945 1 323 . 1 1 30 30 ARG HD2 H 1 3.20 0.03 . 1 . . . . . . . . 4945 1 324 . 1 1 30 30 ARG HD3 H 1 3.20 0.03 . 1 . . . . . . . . 4945 1 325 . 1 1 30 30 ARG C C 13 175.23 0.12 . 1 . . . . . . . . 4945 1 326 . 1 1 30 30 ARG CA C 13 59.72 0.12 . 1 . . . . . . . . 4945 1 327 . 1 1 30 30 ARG CB C 13 30.20 0.12 . 1 . . . . . . . . 4945 1 328 . 1 1 30 30 ARG CG C 13 27.80 0.12 . 1 . . . . . . . . 4945 1 329 . 1 1 30 30 ARG CD C 13 43.26 0.12 . 1 . . . . . . . . 4945 1 330 . 1 1 30 30 ARG N N 15 124.38 0.15 . 1 . . . . . . . . 4945 1 331 . 1 1 31 31 VAL H H 1 8.03 0.03 . 1 . . . . . . . . 4945 1 332 . 1 1 31 31 VAL HA H 1 3.57 0.03 . 1 . . . . . . . . 4945 1 333 . 1 1 31 31 VAL HB H 1 2.12 0.03 . 1 . . . . . . . . 4945 1 334 . 1 1 31 31 VAL HG11 H 1 0.96 0.03 . 1 . . . . . . . . 4945 1 335 . 1 1 31 31 VAL HG12 H 1 0.96 0.03 . 1 . . . . . . . . 4945 1 336 . 1 1 31 31 VAL HG13 H 1 0.96 0.03 . 1 . . . . . . . . 4945 1 337 . 1 1 31 31 VAL HG21 H 1 1.07 0.03 . 1 . . . . . . . . 4945 1 338 . 1 1 31 31 VAL HG22 H 1 1.07 0.03 . 1 . . . . . . . . 4945 1 339 . 1 1 31 31 VAL HG23 H 1 1.07 0.03 . 1 . . . . . . . . 4945 1 340 . 1 1 31 31 VAL C C 13 179.41 0.12 . 1 . . . . . . . . 4945 1 341 . 1 1 31 31 VAL CA C 13 66.60 0.12 . 1 . . . . . . . . 4945 1 342 . 1 1 31 31 VAL CB C 13 31.80 0.12 . 1 . . . . . . . . 4945 1 343 . 1 1 31 31 VAL CG1 C 13 21.40 0.12 . 1 . . . . . . . . 4945 1 344 . 1 1 31 31 VAL CG2 C 13 21.40 0.12 . 1 . . . . . . . . 4945 1 345 . 1 1 31 31 VAL N N 15 121.40 0.15 . 1 . . . . . . . . 4945 1 346 . 1 1 32 32 LEU H H 1 7.89 0.03 . 1 . . . . . . . . 4945 1 347 . 1 1 32 32 LEU HA H 1 3.95 0.03 . 1 . . . . . . . . 4945 1 348 . 1 1 32 32 LEU HB2 H 1 1.54 0.03 . 1 . . . . . . . . 4945 1 349 . 1 1 32 32 LEU HB3 H 1 2.17 0.03 . 1 . . . . . . . . 4945 1 350 . 1 1 32 32 LEU HG H 1 1.55 0.03 . 1 . . . . . . . . 4945 1 351 . 1 1 32 32 LEU HD11 H 1 0.79 0.03 . 1 . . . . . . . . 4945 1 352 . 1 1 32 32 LEU HD12 H 1 0.79 0.03 . 1 . . . . . . . . 4945 1 353 . 1 1 32 32 LEU HD13 H 1 0.79 0.03 . 1 . . . . . . . . 4945 1 354 . 1 1 32 32 LEU HD21 H 1 1.03 0.03 . 1 . . . . . . . . 4945 1 355 . 1 1 32 32 LEU HD22 H 1 1.03 0.03 . 1 . . . . . . . . 4945 1 356 . 1 1 32 32 LEU HD23 H 1 1.03 0.03 . 1 . . . . . . . . 4945 1 357 . 1 1 32 32 LEU C C 13 178.10 0.12 . 1 . . . . . . . . 4945 1 358 . 1 1 32 32 LEU CA C 13 58.10 0.12 . 1 . . . . . . . . 4945 1 359 . 1 1 32 32 LEU CB C 13 41.20 0.12 . 1 . . . . . . . . 4945 1 360 . 1 1 32 32 LEU CD1 C 13 24.90 0.12 . 1 . . . . . . . . 4945 1 361 . 1 1 32 32 LEU CD2 C 13 27.80 0.12 . 1 . . . . . . . . 4945 1 362 . 1 1 32 32 LEU N N 15 119.80 0.15 . 1 . . . . . . . . 4945 1 363 . 1 1 33 33 GLU H H 1 8.53 0.03 . 1 . . . . . . . . 4945 1 364 . 1 1 33 33 GLU HA H 1 3.75 0.03 . 1 . . . . . . . . 4945 1 365 . 1 1 33 33 GLU HB2 H 1 2.23 0.03 . 1 . . . . . . . . 4945 1 366 . 1 1 33 33 GLU HB3 H 1 2.23 0.03 . 1 . . . . . . . . 4945 1 367 . 1 1 33 33 GLU HG2 H 1 2.15 0.03 . 1 . . . . . . . . 4945 1 368 . 1 1 33 33 GLU HG3 H 1 2.15 0.03 . 1 . . . . . . . . 4945 1 369 . 1 1 33 33 GLU C C 13 178.00 0.12 . 1 . . . . . . . . 4945 1 370 . 1 1 33 33 GLU CA C 13 59.91 0.12 . 1 . . . . . . . . 4945 1 371 . 1 1 33 33 GLU CB C 13 29.50 0.12 . 1 . . . . . . . . 4945 1 372 . 1 1 33 33 GLU CG C 13 35.50 0.12 . 1 . . . . . . . . 4945 1 373 . 1 1 33 33 GLU N N 15 120.06 0.15 . 1 . . . . . . . . 4945 1 374 . 1 1 34 34 LYS H H 1 7.85 0.03 . 1 . . . . . . . . 4945 1 375 . 1 1 34 34 LYS HA H 1 4.03 0.03 . 1 . . . . . . . . 4945 1 376 . 1 1 34 34 LYS HB2 H 1 1.98 0.03 . 1 . . . . . . . . 4945 1 377 . 1 1 34 34 LYS HB3 H 1 1.98 0.03 . 1 . . . . . . . . 4945 1 378 . 1 1 34 34 LYS HG2 H 1 1.42 0.03 . 1 . . . . . . . . 4945 1 379 . 1 1 34 34 LYS HG3 H 1 1.54 0.03 . 1 . . . . . . . . 4945 1 380 . 1 1 34 34 LYS HD2 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 381 . 1 1 34 34 LYS HD3 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 382 . 1 1 34 34 LYS HE2 H 1 2.92 0.03 . 1 . . . . . . . . 4945 1 383 . 1 1 34 34 LYS HE3 H 1 2.92 0.03 . 1 . . . . . . . . 4945 1 384 . 1 1 34 34 LYS C C 13 178.35 0.12 . 1 . . . . . . . . 4945 1 385 . 1 1 34 34 LYS CA C 13 59.14 0.12 . 1 . . . . . . . . 4945 1 386 . 1 1 34 34 LYS CB C 13 32.00 0.12 . 1 . . . . . . . . 4945 1 387 . 1 1 34 34 LYS CG C 13 24.70 0.12 . 1 . . . . . . . . 4945 1 388 . 1 1 34 34 LYS CD C 13 29.17 0.12 . 1 . . . . . . . . 4945 1 389 . 1 1 34 34 LYS N N 15 118.83 0.15 . 1 . . . . . . . . 4945 1 390 . 1 1 35 35 GLU H H 1 8.31 0.03 . 1 . . . . . . . . 4945 1 391 . 1 1 35 35 GLU HA H 1 4.36 0.03 . 1 . . . . . . . . 4945 1 392 . 1 1 35 35 GLU HB2 H 1 1.82 0.03 . 1 . . . . . . . . 4945 1 393 . 1 1 35 35 GLU HB3 H 1 2.06 0.03 . 1 . . . . . . . . 4945 1 394 . 1 1 35 35 GLU HG2 H 1 2.05 0.03 . 1 . . . . . . . . 4945 1 395 . 1 1 35 35 GLU HG3 H 1 2.49 0.03 . 1 . . . . . . . . 4945 1 396 . 1 1 35 35 GLU C C 13 179.91 0.12 . 1 . . . . . . . . 4945 1 397 . 1 1 35 35 GLU CA C 13 58.39 0.12 . 1 . . . . . . . . 4945 1 398 . 1 1 35 35 GLU CB C 13 28.60 0.12 . 1 . . . . . . . . 4945 1 399 . 1 1 35 35 GLU CG C 13 35.12 0.12 . 1 . . . . . . . . 4945 1 400 . 1 1 35 35 GLU N N 15 119.45 0.15 . 1 . . . . . . . . 4945 1 401 . 1 1 36 36 CYS H H 1 8.56 0.03 . 1 . . . . . . . . 4945 1 402 . 1 1 36 36 CYS HA H 1 4.14 0.03 . 1 . . . . . . . . 4945 1 403 . 1 1 36 36 CYS HB2 H 1 2.92 0.03 . 1 . . . . . . . . 4945 1 404 . 1 1 36 36 CYS HB3 H 1 3.11 0.03 . 1 . . . . . . . . 4945 1 405 . 1 1 36 36 CYS C C 13 179.36 0.12 . 1 . . . . . . . . 4945 1 406 . 1 1 36 36 CYS CA C 13 63.62 0.12 . 1 . . . . . . . . 4945 1 407 . 1 1 36 36 CYS CB C 13 26.88 0.12 . 1 . . . . . . . . 4945 1 408 . 1 1 36 36 CYS N N 15 115.10 0.15 . 1 . . . . . . . . 4945 1 409 . 1 1 37 37 THR H H 1 7.66 0.03 . 1 . . . . . . . . 4945 1 410 . 1 1 37 37 THR HA H 1 4.07 0.03 . 1 . . . . . . . . 4945 1 411 . 1 1 37 37 THR HB H 1 4.28 0.03 . 1 . . . . . . . . 4945 1 412 . 1 1 37 37 THR HG21 H 1 1.38 0.03 . 1 . . . . . . . . 4945 1 413 . 1 1 37 37 THR HG22 H 1 1.38 0.03 . 1 . . . . . . . . 4945 1 414 . 1 1 37 37 THR HG23 H 1 1.38 0.03 . 1 . . . . . . . . 4945 1 415 . 1 1 37 37 THR C C 13 177.65 0.12 . 1 . . . . . . . . 4945 1 416 . 1 1 37 37 THR CA C 13 64.70 0.12 . 1 . . . . . . . . 4945 1 417 . 1 1 37 37 THR CB C 13 69.40 0.12 . 1 . . . . . . . . 4945 1 418 . 1 1 37 37 THR CG2 C 13 21.50 0.12 . 1 . . . . . . . . 4945 1 419 . 1 1 37 37 THR N N 15 112.20 0.15 . 1 . . . . . . . . 4945 1 420 . 1 1 38 38 LYS H H 1 7.40 0.03 . 1 . . . . . . . . 4945 1 421 . 1 1 38 38 LYS HA H 1 3.98 0.03 . 1 . . . . . . . . 4945 1 422 . 1 1 38 38 LYS HB2 H 1 1.47 0.03 . 1 . . . . . . . . 4945 1 423 . 1 1 38 38 LYS HB3 H 1 2.09 0.03 . 1 . . . . . . . . 4945 1 424 . 1 1 38 38 LYS HG2 H 1 1.25 0.03 . 1 . . . . . . . . 4945 1 425 . 1 1 38 38 LYS HG3 H 1 1.56 0.03 . 1 . . . . . . . . 4945 1 426 . 1 1 38 38 LYS HD2 H 1 1.56 0.03 . 1 . . . . . . . . 4945 1 427 . 1 1 38 38 LYS HD3 H 1 1.77 0.03 . 1 . . . . . . . . 4945 1 428 . 1 1 38 38 LYS C C 13 174.68 0.12 . 1 . . . . . . . . 4945 1 429 . 1 1 38 38 LYS CA C 13 56.86 0.12 . 1 . . . . . . . . 4945 1 430 . 1 1 38 38 LYS CB C 13 34.00 0.12 . 1 . . . . . . . . 4945 1 431 . 1 1 38 38 LYS CG C 13 26.10 0.12 . 1 . . . . . . . . 4945 1 432 . 1 1 38 38 LYS CD C 13 30.05 0.12 . 1 . . . . . . . . 4945 1 433 . 1 1 38 38 LYS N N 15 117.29 0.15 . 1 . . . . . . . . 4945 1 434 . 1 1 39 39 ILE H H 1 7.42 0.03 . 1 . . . . . . . . 4945 1 435 . 1 1 39 39 ILE HA H 1 3.77 0.03 . 1 . . . . . . . . 4945 1 436 . 1 1 39 39 ILE HB H 1 2.16 0.03 . 1 . . . . . . . . 4945 1 437 . 1 1 39 39 ILE HG12 H 1 0.88 0.03 . 1 . . . . . . . . 4945 1 438 . 1 1 39 39 ILE HG13 H 1 1.92 0.03 . 1 . . . . . . . . 4945 1 439 . 1 1 39 39 ILE HG21 H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 440 . 1 1 39 39 ILE HG22 H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 441 . 1 1 39 39 ILE HG23 H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 442 . 1 1 39 39 ILE HD11 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 443 . 1 1 39 39 ILE HD12 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 444 . 1 1 39 39 ILE HD13 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 445 . 1 1 39 39 ILE C C 13 178.96 0.12 . 1 . . . . . . . . 4945 1 446 . 1 1 39 39 ILE CA C 13 60.50 0.12 . 1 . . . . . . . . 4945 1 447 . 1 1 39 39 ILE CB C 13 34.70 0.12 . 1 . . . . . . . . 4945 1 448 . 1 1 39 39 ILE CG1 C 13 27.60 0.12 . 1 . . . . . . . . 4945 1 449 . 1 1 39 39 ILE CG2 C 13 17.25 0.12 . 1 . . . . . . . . 4945 1 450 . 1 1 39 39 ILE CD1 C 13 11.20 0.12 . 1 . . . . . . . . 4945 1 451 . 1 1 39 39 ILE N N 15 122.81 0.15 . 1 . . . . . . . . 4945 1 452 . 1 1 40 40 GLY H H 1 9.78 0.03 . 1 . . . . . . . . 4945 1 453 . 1 1 40 40 GLY HA2 H 1 3.15 0.03 . 1 . . . . . . . . 4945 1 454 . 1 1 40 40 GLY HA3 H 1 3.15 0.03 . 1 . . . . . . . . 4945 1 455 . 1 1 40 40 GLY C C 13 176.79 0.12 . 1 . . . . . . . . 4945 1 456 . 1 1 40 40 GLY CA C 13 44.38 0.12 . 1 . . . . . . . . 4945 1 457 . 1 1 40 40 GLY N N 15 116.98 0.15 . 1 . . . . . . . . 4945 1 458 . 1 1 41 41 SER H H 1 7.75 0.03 . 1 . . . . . . . . 4945 1 459 . 1 1 41 41 SER HA H 1 4.83 0.03 . 1 . . . . . . . . 4945 1 460 . 1 1 41 41 SER HB2 H 1 3.84 0.03 . 1 . . . . . . . . 4945 1 461 . 1 1 41 41 SER HB3 H 1 4.29 0.03 . 1 . . . . . . . . 4945 1 462 . 1 1 41 41 SER C C 13 173.06 0.12 . 1 . . . . . . . . 4945 1 463 . 1 1 41 41 SER CA C 13 57.20 0.12 . 1 . . . . . . . . 4945 1 464 . 1 1 41 41 SER CB C 13 67.40 0.12 . 1 . . . . . . . . 4945 1 465 . 1 1 41 41 SER N N 15 116.20 0.15 . 1 . . . . . . . . 4945 1 466 . 1 1 42 42 LYS HA H 1 4.28 0.03 . 1 . . . . . . . . 4945 1 467 . 1 1 42 42 LYS HB2 H 1 1.92 0.03 . 1 . . . . . . . . 4945 1 468 . 1 1 42 42 LYS HB3 H 1 1.92 0.03 . 1 . . . . . . . . 4945 1 469 . 1 1 42 42 LYS HG2 H 1 1.50 0.03 . 1 . . . . . . . . 4945 1 470 . 1 1 42 42 LYS HG3 H 1 1.50 0.03 . 1 . . . . . . . . 4945 1 471 . 1 1 42 42 LYS HD2 H 1 1.70 0.03 . 1 . . . . . . . . 4945 1 472 . 1 1 42 42 LYS HD3 H 1 1.70 0.03 . 1 . . . . . . . . 4945 1 473 . 1 1 42 42 LYS HE2 H 1 2.99 0.03 . 1 . . . . . . . . 4945 1 474 . 1 1 42 42 LYS HE3 H 1 2.99 0.03 . 1 . . . . . . . . 4945 1 475 . 1 1 42 42 LYS C C 13 176.00 0.12 . 1 . . . . . . . . 4945 1 476 . 1 1 42 42 LYS CA C 13 58.10 0.12 . 1 . . . . . . . . 4945 1 477 . 1 1 42 42 LYS CB C 13 31.90 0.12 . 1 . . . . . . . . 4945 1 478 . 1 1 42 42 LYS CG C 13 24.90 0.12 . 1 . . . . . . . . 4945 1 479 . 1 1 42 42 LYS CD C 13 29.10 0.12 . 1 . . . . . . . . 4945 1 480 . 1 1 43 43 ARG H H 1 8.05 0.03 . 1 . . . . . . . . 4945 1 481 . 1 1 43 43 ARG HA H 1 4.41 0.03 . 1 . . . . . . . . 4945 1 482 . 1 1 43 43 ARG HB2 H 1 1.41 0.03 . 1 . . . . . . . . 4945 1 483 . 1 1 43 43 ARG HB3 H 1 2.10 0.03 . 1 . . . . . . . . 4945 1 484 . 1 1 43 43 ARG HG2 H 1 1.62 0.03 . 1 . . . . . . . . 4945 1 485 . 1 1 43 43 ARG HG3 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 486 . 1 1 43 43 ARG HD2 H 1 3.16 0.03 . 1 . . . . . . . . 4945 1 487 . 1 1 43 43 ARG HD3 H 1 3.16 0.03 . 1 . . . . . . . . 4945 1 488 . 1 1 43 43 ARG C C 13 176.64 0.12 . 1 . . . . . . . . 4945 1 489 . 1 1 43 43 ARG CA C 13 55.50 0.12 . 1 . . . . . . . . 4945 1 490 . 1 1 43 43 ARG CB C 13 30.30 0.12 . 1 . . . . . . . . 4945 1 491 . 1 1 43 43 ARG CG C 13 27.45 0.12 . 1 . . . . . . . . 4945 1 492 . 1 1 43 43 ARG CD C 13 43.30 0.12 . 1 . . . . . . . . 4945 1 493 . 1 1 43 43 ARG N N 15 116.57 0.15 . 1 . . . . . . . . 4945 1 494 . 1 1 44 44 ASP H H 1 7.28 0.03 . 1 . . . . . . . . 4945 1 495 . 1 1 44 44 ASP HA H 1 4.40 0.03 . 1 . . . . . . . . 4945 1 496 . 1 1 44 44 ASP HB2 H 1 2.84 0.03 . 1 . . . . . . . . 4945 1 497 . 1 1 44 44 ASP HB3 H 1 3.02 0.03 . 1 . . . . . . . . 4945 1 498 . 1 1 44 44 ASP C C 13 174.68 0.12 . 1 . . . . . . . . 4945 1 499 . 1 1 44 44 ASP CA C 13 53.50 0.12 . 1 . . . . . . . . 4945 1 500 . 1 1 44 44 ASP CB C 13 41.60 0.12 . 1 . . . . . . . . 4945 1 501 . 1 1 44 44 ASP N N 15 120.99 0.15 . 1 . . . . . . . . 4945 1 502 . 1 1 45 45 SER H H 1 8.50 0.03 . 1 . . . . . . . . 4945 1 503 . 1 1 45 45 SER HA H 1 4.60 0.03 . 1 . . . . . . . . 4945 1 504 . 1 1 45 45 SER HB2 H 1 4.22 0.03 . 1 . . . . . . . . 4945 1 505 . 1 1 45 45 SER HB3 H 1 4.26 0.03 . 1 . . . . . . . . 4945 1 506 . 1 1 45 45 SER C C 13 175.78 0.12 . 1 . . . . . . . . 4945 1 507 . 1 1 45 45 SER CA C 13 57.70 0.12 . 1 . . . . . . . . 4945 1 508 . 1 1 45 45 SER CB C 13 66.05 0.12 . 1 . . . . . . . . 4945 1 509 . 1 1 45 45 SER N N 15 117.90 0.15 . 1 . . . . . . . . 4945 1 510 . 1 1 46 46 LYS H H 1 9.21 0.03 . 1 . . . . . . . . 4945 1 511 . 1 1 46 46 LYS HA H 1 3.97 0.03 . 1 . . . . . . . . 4945 1 512 . 1 1 46 46 LYS HB2 H 1 1.76 0.03 . 1 . . . . . . . . 4945 1 513 . 1 1 46 46 LYS HB3 H 1 1.89 0.03 . 1 . . . . . . . . 4945 1 514 . 1 1 46 46 LYS HG2 H 1 1.42 0.03 . 1 . . . . . . . . 4945 1 515 . 1 1 46 46 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 4945 1 516 . 1 1 46 46 LYS HD2 H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 517 . 1 1 46 46 LYS HD3 H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 518 . 1 1 46 46 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 519 . 1 1 46 46 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 520 . 1 1 46 46 LYS C C 13 174.17 0.12 . 1 . . . . . . . . 4945 1 521 . 1 1 46 46 LYS CA C 13 59.40 0.12 . 1 . . . . . . . . 4945 1 522 . 1 1 46 46 LYS CB C 13 32.00 0.12 . 1 . . . . . . . . 4945 1 523 . 1 1 46 46 LYS CG C 13 24.60 0.12 . 1 . . . . . . . . 4945 1 524 . 1 1 46 46 LYS CD C 13 29.30 0.12 . 1 . . . . . . . . 4945 1 525 . 1 1 46 46 LYS N N 15 121.40 0.15 . 1 . . . . . . . . 4945 1 526 . 1 1 47 47 GLU H H 1 8.87 0.03 . 1 . . . . . . . . 4945 1 527 . 1 1 47 47 GLU HA H 1 4.03 0.03 . 1 . . . . . . . . 4945 1 528 . 1 1 47 47 GLU HB2 H 1 1.94 0.03 . 1 . . . . . . . . 4945 1 529 . 1 1 47 47 GLU HB3 H 1 2.16 0.03 . 1 . . . . . . . . 4945 1 530 . 1 1 47 47 GLU HG2 H 1 2.23 0.03 . 1 . . . . . . . . 4945 1 531 . 1 1 47 47 GLU HG3 H 1 2.49 0.03 . 1 . . . . . . . . 4945 1 532 . 1 1 47 47 GLU C C 13 178.60 0.12 . 1 . . . . . . . . 4945 1 533 . 1 1 47 47 GLU CA C 13 60.47 0.12 . 1 . . . . . . . . 4945 1 534 . 1 1 47 47 GLU CB C 13 28.50 0.12 . 1 . . . . . . . . 4945 1 535 . 1 1 47 47 GLU CG C 13 37.20 0.12 . 1 . . . . . . . . 4945 1 536 . 1 1 47 47 GLU N N 15 120.99 0.15 . 1 . . . . . . . . 4945 1 537 . 1 1 48 48 LEU H H 1 8.26 0.03 . 1 . . . . . . . . 4945 1 538 . 1 1 48 48 LEU HA H 1 4.22 0.03 . 1 . . . . . . . . 4945 1 539 . 1 1 48 48 LEU HB2 H 1 1.76 0.03 . 1 . . . . . . . . 4945 1 540 . 1 1 48 48 LEU HB3 H 1 2.17 0.03 . 1 . . . . . . . . 4945 1 541 . 1 1 48 48 LEU HG H 1 1.57 0.03 . 1 . . . . . . . . 4945 1 542 . 1 1 48 48 LEU HD11 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 543 . 1 1 48 48 LEU HD12 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 544 . 1 1 48 48 LEU HD13 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 545 . 1 1 48 48 LEU HD21 H 1 1.08 0.03 . 1 . . . . . . . . 4945 1 546 . 1 1 48 48 LEU HD22 H 1 1.08 0.03 . 1 . . . . . . . . 4945 1 547 . 1 1 48 48 LEU HD23 H 1 1.08 0.03 . 1 . . . . . . . . 4945 1 548 . 1 1 48 48 LEU C C 13 179.01 0.12 . 1 . . . . . . . . 4945 1 549 . 1 1 48 48 LEU CA C 13 58.10 0.12 . 1 . . . . . . . . 4945 1 550 . 1 1 48 48 LEU CB C 13 41.80 0.12 . 1 . . . . . . . . 4945 1 551 . 1 1 48 48 LEU CD1 C 13 23.60 0.12 . 1 . . . . . . . . 4945 1 552 . 1 1 48 48 LEU CD2 C 13 27.60 0.12 . 1 . . . . . . . . 4945 1 553 . 1 1 48 48 LEU N N 15 124.38 0.15 . 1 . . . . . . . . 4945 1 554 . 1 1 49 49 ARG H H 1 7.64 0.03 . 1 . . . . . . . . 4945 1 555 . 1 1 49 49 ARG HA H 1 4.14 0.03 . 1 . . . . . . . . 4945 1 556 . 1 1 49 49 ARG HB2 H 1 1.82 0.03 . 1 . . . . . . . . 4945 1 557 . 1 1 49 49 ARG HB3 H 1 2.11 0.03 . 1 . . . . . . . . 4945 1 558 . 1 1 49 49 ARG HG2 H 1 1.93 0.03 . 1 . . . . . . . . 4945 1 559 . 1 1 49 49 ARG HG3 H 1 1.93 0.03 . 1 . . . . . . . . 4945 1 560 . 1 1 49 49 ARG HD2 H 1 3.09 0.03 . 1 . . . . . . . . 4945 1 561 . 1 1 49 49 ARG HD3 H 1 3.22 0.03 . 1 . . . . . . . . 4945 1 562 . 1 1 49 49 ARG C C 13 178.50 0.12 . 1 . . . . . . . . 4945 1 563 . 1 1 49 49 ARG CA C 13 59.70 0.12 . 1 . . . . . . . . 4945 1 564 . 1 1 49 49 ARG CB C 13 29.40 0.12 . 1 . . . . . . . . 4945 1 565 . 1 1 49 49 ARG CG C 13 28.90 0.12 . 1 . . . . . . . . 4945 1 566 . 1 1 49 49 ARG CD C 13 44.10 0.12 . 1 . . . . . . . . 4945 1 567 . 1 1 49 49 ARG N N 15 116.82 0.15 . 1 . . . . . . . . 4945 1 568 . 1 1 50 50 TYR H H 1 8.32 0.03 . 1 . . . . . . . . 4945 1 569 . 1 1 50 50 TYR HA H 1 4.23 0.03 . 1 . . . . . . . . 4945 1 570 . 1 1 50 50 TYR HB2 H 1 3.12 0.03 . 1 . . . . . . . . 4945 1 571 . 1 1 50 50 TYR HB3 H 1 3.12 0.03 . 1 . . . . . . . . 4945 1 572 . 1 1 50 50 TYR HD1 H 1 7.08 0.03 . 1 . . . . . . . . 4945 1 573 . 1 1 50 50 TYR HD2 H 1 7.08 0.03 . 1 . . . . . . . . 4945 1 574 . 1 1 50 50 TYR HE1 H 1 6.79 0.03 . 1 . . . . . . . . 4945 1 575 . 1 1 50 50 TYR HE2 H 1 6.79 0.03 . 1 . . . . . . . . 4945 1 576 . 1 1 50 50 TYR C C 13 177.70 0.12 . 1 . . . . . . . . 4945 1 577 . 1 1 50 50 TYR CA C 13 61.50 0.12 . 1 . . . . . . . . 4945 1 578 . 1 1 50 50 TYR CB C 13 38.10 0.12 . 1 . . . . . . . . 4945 1 579 . 1 1 50 50 TYR N N 15 118.83 0.15 . 1 . . . . . . . . 4945 1 580 . 1 1 51 51 LYS H H 1 8.27 0.03 . 1 . . . . . . . . 4945 1 581 . 1 1 51 51 LYS HA H 1 3.97 0.03 . 1 . . . . . . . . 4945 1 582 . 1 1 51 51 LYS HB2 H 1 2.05 0.03 . 1 . . . . . . . . 4945 1 583 . 1 1 51 51 LYS HB3 H 1 2.14 0.03 . 1 . . . . . . . . 4945 1 584 . 1 1 51 51 LYS HG2 H 1 1.23 0.03 . 1 . . . . . . . . 4945 1 585 . 1 1 51 51 LYS HG3 H 1 1.59 0.03 . 1 . . . . . . . . 4945 1 586 . 1 1 51 51 LYS HD2 H 1 1.68 0.03 . 1 . . . . . . . . 4945 1 587 . 1 1 51 51 LYS HD3 H 1 1.68 0.03 . 1 . . . . . . . . 4945 1 588 . 1 1 51 51 LYS HE2 H 1 2.84 0.03 . 1 . . . . . . . . 4945 1 589 . 1 1 51 51 LYS HE3 H 1 2.92 0.03 . 1 . . . . . . . . 4945 1 590 . 1 1 51 51 LYS C C 13 179.06 0.12 . 1 . . . . . . . . 4945 1 591 . 1 1 51 51 LYS CA C 13 59.60 0.12 . 1 . . . . . . . . 4945 1 592 . 1 1 51 51 LYS CB C 13 32.10 0.12 . 1 . . . . . . . . 4945 1 593 . 1 1 51 51 LYS CG C 13 24.70 0.12 . 1 . . . . . . . . 4945 1 594 . 1 1 51 51 LYS CD C 13 29.40 0.12 . 1 . . . . . . . . 4945 1 595 . 1 1 51 51 LYS CE C 13 41.90 0.12 . 1 . . . . . . . . 4945 1 596 . 1 1 51 51 LYS N N 15 123.46 0.15 . 1 . . . . . . . . 4945 1 597 . 1 1 52 52 ILE H H 1 8.60 0.03 . 1 . . . . . . . . 4945 1 598 . 1 1 52 52 ILE HA H 1 3.34 0.03 . 1 . . . . . . . . 4945 1 599 . 1 1 52 52 ILE HB H 1 1.90 0.03 . 1 . . . . . . . . 4945 1 600 . 1 1 52 52 ILE HG12 H 1 0.11 0.03 . 1 . . . . . . . . 4945 1 601 . 1 1 52 52 ILE HG13 H 1 1.88 0.03 . 1 . . . . . . . . 4945 1 602 . 1 1 52 52 ILE HG21 H 1 0.63 0.03 . 1 . . . . . . . . 4945 1 603 . 1 1 52 52 ILE HG22 H 1 0.63 0.03 . 1 . . . . . . . . 4945 1 604 . 1 1 52 52 ILE HG23 H 1 0.63 0.03 . 1 . . . . . . . . 4945 1 605 . 1 1 52 52 ILE HD11 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 606 . 1 1 52 52 ILE HD12 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 607 . 1 1 52 52 ILE HD13 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 608 . 1 1 52 52 ILE C C 13 179.66 0.12 . 1 . . . . . . . . 4945 1 609 . 1 1 52 52 ILE CA C 13 66.77 0.12 . 1 . . . . . . . . 4945 1 610 . 1 1 52 52 ILE CB C 13 38.63 0.12 . 1 . . . . . . . . 4945 1 611 . 1 1 52 52 ILE CG1 C 13 30.10 0.12 . 1 . . . . . . . . 4945 1 612 . 1 1 52 52 ILE CG2 C 13 16.42 0.12 . 1 . . . . . . . . 4945 1 613 . 1 1 52 52 ILE CD1 C 13 15.20 0.12 . 1 . . . . . . . . 4945 1 614 . 1 1 52 52 ILE N N 15 121.61 0.15 . 1 . . . . . . . . 4945 1 615 . 1 1 53 53 GLU H H 1 8.32 0.03 . 1 . . . . . . . . 4945 1 616 . 1 1 53 53 GLU HA H 1 3.88 0.03 . 1 . . . . . . . . 4945 1 617 . 1 1 53 53 GLU HB2 H 1 1.97 0.03 . 1 . . . . . . . . 4945 1 618 . 1 1 53 53 GLU HB3 H 1 2.05 0.03 . 1 . . . . . . . . 4945 1 619 . 1 1 53 53 GLU HG2 H 1 2.82 0.03 . 1 . . . . . . . . 4945 1 620 . 1 1 53 53 GLU HG3 H 1 2.51 0.03 . 1 . . . . . . . . 4945 1 621 . 1 1 53 53 GLU C C 13 176.64 0.12 . 1 . . . . . . . . 4945 1 622 . 1 1 53 53 GLU CA C 13 59.35 0.12 . 1 . . . . . . . . 4945 1 623 . 1 1 53 53 GLU CB C 13 30.16 0.12 . 1 . . . . . . . . 4945 1 624 . 1 1 53 53 GLU CG C 13 37.30 0.12 . 1 . . . . . . . . 4945 1 625 . 1 1 53 53 GLU N N 15 114.05 0.15 . 1 . . . . . . . . 4945 1 626 . 1 1 54 54 THR H H 1 8.33 0.03 . 1 . . . . . . . . 4945 1 627 . 1 1 54 54 THR HA H 1 4.32 0.03 . 1 . . . . . . . . 4945 1 628 . 1 1 54 54 THR HB H 1 3.88 0.03 . 1 . . . . . . . . 4945 1 629 . 1 1 54 54 THR HG21 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 630 . 1 1 54 54 THR HG22 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 631 . 1 1 54 54 THR HG23 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 632 . 1 1 54 54 THR C C 13 178.25 0.12 . 1 . . . . . . . . 4945 1 633 . 1 1 54 54 THR CA C 13 62.90 0.12 . 1 . . . . . . . . 4945 1 634 . 1 1 54 54 THR CB C 13 70.00 0.12 . 1 . . . . . . . . 4945 1 635 . 1 1 54 54 THR CG2 C 13 20.60 0.12 . 1 . . . . . . . . 4945 1 636 . 1 1 54 54 THR N N 15 107.50 0.15 . 1 . . . . . . . . 4945 1 637 . 1 1 55 55 GLU H H 1 7.60 0.03 . 1 . . . . . . . . 4945 1 638 . 1 1 55 55 GLU HA H 1 4.59 0.03 . 1 . . . . . . . . 4945 1 639 . 1 1 55 55 GLU HB2 H 1 2.05 0.03 . 1 . . . . . . . . 4945 1 640 . 1 1 55 55 GLU HB3 H 1 2.19 0.03 . 1 . . . . . . . . 4945 1 641 . 1 1 55 55 GLU HG2 H 1 1.98 0.03 . 1 . . . . . . . . 4945 1 642 . 1 1 55 55 GLU HG3 H 1 2.23 0.03 . 1 . . . . . . . . 4945 1 643 . 1 1 55 55 GLU C C 13 174.47 0.12 . 1 . . . . . . . . 4945 1 644 . 1 1 55 55 GLU CA C 13 57.61 0.12 . 1 . . . . . . . . 4945 1 645 . 1 1 55 55 GLU CB C 13 31.96 0.12 . 1 . . . . . . . . 4945 1 646 . 1 1 55 55 GLU CG C 13 35.90 0.12 . 1 . . . . . . . . 4945 1 647 . 1 1 55 55 GLU N N 15 120.68 0.15 . 1 . . . . . . . . 4945 1 648 . 1 1 56 56 LEU H H 1 8.20 0.03 . 1 . . . . . . . . 4945 1 649 . 1 1 56 56 LEU HA H 1 4.15 0.03 . 1 . . . . . . . . 4945 1 650 . 1 1 56 56 LEU HB2 H 1 1.59 0.03 . 1 . . . . . . . . 4945 1 651 . 1 1 56 56 LEU HB3 H 1 2.01 0.03 . 1 . . . . . . . . 4945 1 652 . 1 1 56 56 LEU HG H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 653 . 1 1 56 56 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 654 . 1 1 56 56 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 655 . 1 1 56 56 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 656 . 1 1 56 56 LEU HD21 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 657 . 1 1 56 56 LEU HD22 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 658 . 1 1 56 56 LEU HD23 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 659 . 1 1 56 56 LEU C C 13 176.29 0.12 . 1 . . . . . . . . 4945 1 660 . 1 1 56 56 LEU CA C 13 58.90 0.12 . 1 . . . . . . . . 4945 1 661 . 1 1 56 56 LEU CB C 13 41.60 0.12 . 1 . . . . . . . . 4945 1 662 . 1 1 56 56 LEU CD1 C 13 25.80 0.12 . 1 . . . . . . . . 4945 1 663 . 1 1 56 56 LEU CD2 C 13 21.70 0.12 . 1 . . . . . . . . 4945 1 664 . 1 1 56 56 LEU N N 15 117.60 0.15 . 1 . . . . . . . . 4945 1 665 . 1 1 57 57 ILE H H 1 8.96 0.03 . 1 . . . . . . . . 4945 1 666 . 1 1 57 57 ILE HA H 1 4.10 0.03 . 1 . . . . . . . . 4945 1 667 . 1 1 57 57 ILE HB H 1 2.08 0.03 . 1 . . . . . . . . 4945 1 668 . 1 1 57 57 ILE HG12 H 1 0.96 0.03 . 1 . . . . . . . . 4945 1 669 . 1 1 57 57 ILE HG13 H 1 1.63 0.03 . 1 . . . . . . . . 4945 1 670 . 1 1 57 57 ILE HG21 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 671 . 1 1 57 57 ILE HG22 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 672 . 1 1 57 57 ILE HG23 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 673 . 1 1 57 57 ILE HD11 H 1 0.73 0.03 . 1 . . . . . . . . 4945 1 674 . 1 1 57 57 ILE HD12 H 1 0.73 0.03 . 1 . . . . . . . . 4945 1 675 . 1 1 57 57 ILE HD13 H 1 0.73 0.03 . 1 . . . . . . . . 4945 1 676 . 1 1 57 57 ILE C C 13 179.71 0.12 . 1 . . . . . . . . 4945 1 677 . 1 1 57 57 ILE CA C 13 67.50 0.12 . 1 . . . . . . . . 4945 1 678 . 1 1 57 57 ILE CB C 13 36.10 0.12 . 1 . . . . . . . . 4945 1 679 . 1 1 57 57 ILE CG1 C 13 31.90 0.12 . 1 . . . . . . . . 4945 1 680 . 1 1 57 57 ILE CG2 C 13 16.00 0.12 . 1 . . . . . . . . 4945 1 681 . 1 1 57 57 ILE CD1 C 13 13.50 0.12 . 1 . . . . . . . . 4945 1 682 . 1 1 57 57 ILE N N 15 119.29 0.15 . 1 . . . . . . . . 4945 1 683 . 1 1 58 58 PRO HA H 1 4.25 0.03 . 1 . . . . . . . . 4945 1 684 . 1 1 58 58 PRO HB2 H 1 1.64 0.03 . 1 . . . . . . . . 4945 1 685 . 1 1 58 58 PRO HB3 H 1 2.25 0.03 . 1 . . . . . . . . 4945 1 686 . 1 1 58 58 PRO HG2 H 1 1.80 0.03 . 1 . . . . . . . . 4945 1 687 . 1 1 58 58 PRO HG3 H 1 1.91 0.03 . 1 . . . . . . . . 4945 1 688 . 1 1 58 58 PRO HD2 H 1 2.86 0.03 . 1 . . . . . . . . 4945 1 689 . 1 1 58 58 PRO HD3 H 1 3.50 0.03 . 1 . . . . . . . . 4945 1 690 . 1 1 58 58 PRO C C 13 175.70 0.12 . 1 . . . . . . . . 4945 1 691 . 1 1 58 58 PRO CA C 13 66.01 0.12 . 1 . . . . . . . . 4945 1 692 . 1 1 58 58 PRO CB C 13 30.57 0.12 . 1 . . . . . . . . 4945 1 693 . 1 1 58 58 PRO CG C 13 28.83 0.12 . 1 . . . . . . . . 4945 1 694 . 1 1 58 58 PRO CD C 13 49.09 0.12 . 1 . . . . . . . . 4945 1 695 . 1 1 59 59 ASN H H 1 7.78 0.03 . 1 . . . . . . . . 4945 1 696 . 1 1 59 59 ASN HA H 1 4.49 0.03 . 1 . . . . . . . . 4945 1 697 . 1 1 59 59 ASN HB2 H 1 2.85 0.03 . 1 . . . . . . . . 4945 1 698 . 1 1 59 59 ASN HB3 H 1 3.05 0.03 . 1 . . . . . . . . 4945 1 699 . 1 1 59 59 ASN C C 13 179.11 0.12 . 1 . . . . . . . . 4945 1 700 . 1 1 59 59 ASN CA C 13 55.90 0.12 . 1 . . . . . . . . 4945 1 701 . 1 1 59 59 ASN CB C 13 37.60 0.12 . 1 . . . . . . . . 4945 1 702 . 1 1 59 59 ASN N N 15 115.74 0.15 . 1 . . . . . . . . 4945 1 703 . 1 1 59 59 ASN ND2 N 15 111.00 0.15 . 1 . . . . . . . . 4945 1 704 . 1 1 60 60 CYS H H 1 8.07 0.03 . 1 . . . . . . . . 4945 1 705 . 1 1 60 60 CYS HA H 1 4.01 0.03 . 1 . . . . . . . . 4945 1 706 . 1 1 60 60 CYS HB2 H 1 2.33 0.03 . 1 . . . . . . . . 4945 1 707 . 1 1 60 60 CYS HB3 H 1 3.32 0.03 . 1 . . . . . . . . 4945 1 708 . 1 1 60 60 CYS C C 13 177.80 0.12 . 1 . . . . . . . . 4945 1 709 . 1 1 60 60 CYS CA C 13 64.32 0.12 . 1 . . . . . . . . 4945 1 710 . 1 1 60 60 CYS CB C 13 27.16 0.12 . 1 . . . . . . . . 4945 1 711 . 1 1 60 60 CYS N N 15 120.37 0.15 . 1 . . . . . . . . 4945 1 712 . 1 1 61 61 THR H H 1 8.88 0.03 . 1 . . . . . . . . 4945 1 713 . 1 1 61 61 THR HA H 1 3.52 0.03 . 1 . . . . . . . . 4945 1 714 . 1 1 61 61 THR HB H 1 4.23 0.03 . 1 . . . . . . . . 4945 1 715 . 1 1 61 61 THR HG21 H 1 1.21 0.03 . 1 . . . . . . . . 4945 1 716 . 1 1 61 61 THR HG22 H 1 1.21 0.03 . 1 . . . . . . . . 4945 1 717 . 1 1 61 61 THR HG23 H 1 1.21 0.03 . 1 . . . . . . . . 4945 1 718 . 1 1 61 61 THR C C 13 176.44 0.12 . 1 . . . . . . . . 4945 1 719 . 1 1 61 61 THR CA C 13 66.51 0.12 . 1 . . . . . . . . 4945 1 720 . 1 1 61 61 THR CB C 13 68.60 0.12 . 1 . . . . . . . . 4945 1 721 . 1 1 61 61 THR CG2 C 13 22.39 0.12 . 1 . . . . . . . . 4945 1 722 . 1 1 61 61 THR N N 15 115.90 0.15 . 1 . . . . . . . . 4945 1 723 . 1 1 62 62 SER H H 1 8.19 0.03 . 1 . . . . . . . . 4945 1 724 . 1 1 62 62 SER HA H 1 4.18 0.03 . 1 . . . . . . . . 4945 1 725 . 1 1 62 62 SER HB2 H 1 3.98 0.03 . 1 . . . . . . . . 4945 1 726 . 1 1 62 62 SER HB3 H 1 3.98 0.03 . 1 . . . . . . . . 4945 1 727 . 1 1 62 62 SER C C 13 175.03 0.12 . 1 . . . . . . . . 4945 1 728 . 1 1 62 62 SER CA C 13 61.35 0.12 . 1 . . . . . . . . 4945 1 729 . 1 1 62 62 SER CB C 13 62.80 0.12 . 1 . . . . . . . . 4945 1 730 . 1 1 62 62 SER N N 15 115.44 0.15 . 1 . . . . . . . . 4945 1 731 . 1 1 63 63 VAL H H 1 7.41 0.03 . 1 . . . . . . . . 4945 1 732 . 1 1 63 63 VAL HA H 1 3.71 0.03 . 1 . . . . . . . . 4945 1 733 . 1 1 63 63 VAL HB H 1 2.10 0.03 . 1 . . . . . . . . 4945 1 734 . 1 1 63 63 VAL HG11 H 1 0.94 0.03 . 1 . . . . . . . . 4945 1 735 . 1 1 63 63 VAL HG12 H 1 0.94 0.03 . 1 . . . . . . . . 4945 1 736 . 1 1 63 63 VAL HG13 H 1 0.94 0.03 . 1 . . . . . . . . 4945 1 737 . 1 1 63 63 VAL HG21 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 738 . 1 1 63 63 VAL HG22 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 739 . 1 1 63 63 VAL HG23 H 1 1.04 0.03 . 1 . . . . . . . . 4945 1 740 . 1 1 63 63 VAL C C 13 177.34 0.12 . 1 . . . . . . . . 4945 1 741 . 1 1 63 63 VAL CA C 13 65.90 0.12 . 1 . . . . . . . . 4945 1 742 . 1 1 63 63 VAL CB C 13 31.30 0.12 . 1 . . . . . . . . 4945 1 743 . 1 1 63 63 VAL CG1 C 13 21.90 0.12 . 1 . . . . . . . . 4945 1 744 . 1 1 63 63 VAL CG2 C 13 21.90 0.12 . 1 . . . . . . . . 4945 1 745 . 1 1 63 63 VAL N N 15 121.00 0.15 . 1 . . . . . . . . 4945 1 746 . 1 1 64 64 ARG H H 1 7.77 0.03 . 1 . . . . . . . . 4945 1 747 . 1 1 64 64 ARG HA H 1 3.11 0.03 . 1 . . . . . . . . 4945 1 748 . 1 1 64 64 ARG HB2 H 1 1.20 0.03 . 1 . . . . . . . . 4945 1 749 . 1 1 64 64 ARG HB3 H 1 2.04 0.03 . 1 . . . . . . . . 4945 1 750 . 1 1 64 64 ARG HG2 H 1 1.54 0.03 . 1 . . . . . . . . 4945 1 751 . 1 1 64 64 ARG HG3 H 1 1.61 0.03 . 1 . . . . . . . . 4945 1 752 . 1 1 64 64 ARG HD2 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 753 . 1 1 64 64 ARG HD3 H 1 3.37 0.03 . 1 . . . . . . . . 4945 1 754 . 1 1 64 64 ARG C C 13 176.44 0.12 . 1 . . . . . . . . 4945 1 755 . 1 1 64 64 ARG CA C 13 59.70 0.12 . 1 . . . . . . . . 4945 1 756 . 1 1 64 64 ARG CB C 13 29.01 0.12 . 1 . . . . . . . . 4945 1 757 . 1 1 64 64 ARG CG C 13 25.60 0.12 . 1 . . . . . . . . 4945 1 758 . 1 1 64 64 ARG CD C 13 43.26 0.12 . 1 . . . . . . . . 4945 1 759 . 1 1 64 64 ARG N N 15 121.45 0.15 . 1 . . . . . . . . 4945 1 760 . 1 1 65 65 ASP H H 1 8.43 0.03 . 1 . . . . . . . . 4945 1 761 . 1 1 65 65 ASP HA H 1 4.35 0.03 . 1 . . . . . . . . 4945 1 762 . 1 1 65 65 ASP HB2 H 1 2.63 0.03 . 1 . . . . . . . . 4945 1 763 . 1 1 65 65 ASP HB3 H 1 2.70 0.03 . 1 . . . . . . . . 4945 1 764 . 1 1 65 65 ASP C C 13 177.85 0.12 . 1 . . . . . . . . 4945 1 765 . 1 1 65 65 ASP CA C 13 56.90 0.12 . 1 . . . . . . . . 4945 1 766 . 1 1 65 65 ASP CB C 13 39.20 0.12 . 1 . . . . . . . . 4945 1 767 . 1 1 65 65 ASP N N 15 117.90 0.15 . 1 . . . . . . . . 4945 1 768 . 1 1 66 66 LYS H H 1 7.75 0.03 . 1 . . . . . . . . 4945 1 769 . 1 1 66 66 LYS HA H 1 3.97 0.03 . 1 . . . . . . . . 4945 1 770 . 1 1 66 66 LYS HB2 H 1 1.83 0.03 . 1 . . . . . . . . 4945 1 771 . 1 1 66 66 LYS HB3 H 1 1.93 0.03 . 1 . . . . . . . . 4945 1 772 . 1 1 66 66 LYS HG2 H 1 1.36 0.03 . 1 . . . . . . . . 4945 1 773 . 1 1 66 66 LYS HG3 H 1 1.55 0.03 . 1 . . . . . . . . 4945 1 774 . 1 1 66 66 LYS HD2 H 1 1.56 0.03 . 1 . . . . . . . . 4945 1 775 . 1 1 66 66 LYS HD3 H 1 1.56 0.03 . 1 . . . . . . . . 4945 1 776 . 1 1 66 66 LYS HE2 H 1 2.88 0.03 . 1 . . . . . . . . 4945 1 777 . 1 1 66 66 LYS HE3 H 1 2.88 0.03 . 1 . . . . . . . . 4945 1 778 . 1 1 66 66 LYS C C 13 178.85 0.12 . 1 . . . . . . . . 4945 1 779 . 1 1 66 66 LYS CA C 13 59.15 0.12 . 1 . . . . . . . . 4945 1 780 . 1 1 66 66 LYS CB C 13 32.60 0.12 . 1 . . . . . . . . 4945 1 781 . 1 1 66 66 LYS CG C 13 25.20 0.12 . 1 . . . . . . . . 4945 1 782 . 1 1 66 66 LYS CD C 13 29.30 0.12 . 1 . . . . . . . . 4945 1 783 . 1 1 66 66 LYS N N 15 122.22 0.15 . 1 . . . . . . . . 4945 1 784 . 1 1 67 67 ILE H H 1 7.90 0.03 . 1 . . . . . . . . 4945 1 785 . 1 1 67 67 ILE HA H 1 3.15 0.03 . 1 . . . . . . . . 4945 1 786 . 1 1 67 67 ILE HB H 1 1.37 0.03 . 1 . . . . . . . . 4945 1 787 . 1 1 67 67 ILE HG12 H 1 -0.36 0.03 . 1 . . . . . . . . 4945 1 788 . 1 1 67 67 ILE HG13 H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 789 . 1 1 67 67 ILE HG21 H 1 0.41 0.03 . 1 . . . . . . . . 4945 1 790 . 1 1 67 67 ILE HG22 H 1 0.41 0.03 . 1 . . . . . . . . 4945 1 791 . 1 1 67 67 ILE HG23 H 1 0.41 0.03 . 1 . . . . . . . . 4945 1 792 . 1 1 67 67 ILE HD11 H 1 0.61 0.03 . 1 . . . . . . . . 4945 1 793 . 1 1 67 67 ILE HD12 H 1 0.61 0.03 . 1 . . . . . . . . 4945 1 794 . 1 1 67 67 ILE HD13 H 1 0.61 0.03 . 1 . . . . . . . . 4945 1 795 . 1 1 67 67 ILE C C 13 179.46 0.12 . 1 . . . . . . . . 4945 1 796 . 1 1 67 67 ILE CA C 13 65.40 0.12 . 1 . . . . . . . . 4945 1 797 . 1 1 67 67 ILE CB C 13 37.30 0.12 . 1 . . . . . . . . 4945 1 798 . 1 1 67 67 ILE CG1 C 13 30.40 0.12 . 1 . . . . . . . . 4945 1 799 . 1 1 67 67 ILE CG2 C 13 16.60 0.12 . 1 . . . . . . . . 4945 1 800 . 1 1 67 67 ILE CD1 C 13 15.50 0.12 . 1 . . . . . . . . 4945 1 801 . 1 1 67 67 ILE N N 15 121.61 0.15 . 1 . . . . . . . . 4945 1 802 . 1 1 68 68 GLU H H 1 8.04 0.03 . 1 . . . . . . . . 4945 1 803 . 1 1 68 68 GLU HA H 1 3.77 0.03 . 1 . . . . . . . . 4945 1 804 . 1 1 68 68 GLU HB2 H 1 2.13 0.03 . 1 . . . . . . . . 4945 1 805 . 1 1 68 68 GLU HB3 H 1 2.32 0.03 . 1 . . . . . . . . 4945 1 806 . 1 1 68 68 GLU HG2 H 1 2.42 0.03 . 1 . . . . . . . . 4945 1 807 . 1 1 68 68 GLU HG3 H 1 2.42 0.03 . 1 . . . . . . . . 4945 1 808 . 1 1 68 68 GLU C C 13 176.94 0.12 . 1 . . . . . . . . 4945 1 809 . 1 1 68 68 GLU CA C 13 58.52 0.12 . 1 . . . . . . . . 4945 1 810 . 1 1 68 68 GLU CB C 13 30.41 0.12 . 1 . . . . . . . . 4945 1 811 . 1 1 68 68 GLU CG C 13 35.74 0.12 . 1 . . . . . . . . 4945 1 812 . 1 1 68 68 GLU N N 15 116.67 0.15 . 1 . . . . . . . . 4945 1 813 . 1 1 69 69 SER H H 1 7.22 0.03 . 1 . . . . . . . . 4945 1 814 . 1 1 69 69 SER HA H 1 4.33 0.03 . 1 . . . . . . . . 4945 1 815 . 1 1 69 69 SER HB2 H 1 3.91 0.03 . 1 . . . . . . . . 4945 1 816 . 1 1 69 69 SER HB3 H 1 3.99 0.03 . 1 . . . . . . . . 4945 1 817 . 1 1 69 69 SER C C 13 177.29 0.12 . 1 . . . . . . . . 4945 1 818 . 1 1 69 69 SER CA C 13 58.70 0.12 . 1 . . . . . . . . 4945 1 819 . 1 1 69 69 SER CB C 13 63.70 0.12 . 1 . . . . . . . . 4945 1 820 . 1 1 69 69 SER N N 15 109.00 0.15 . 1 . . . . . . . . 4945 1 821 . 1 1 70 70 ASN H H 1 7.78 0.03 . 1 . . . . . . . . 4945 1 822 . 1 1 70 70 ASN HA H 1 4.59 0.03 . 1 . . . . . . . . 4945 1 823 . 1 1 70 70 ASN HB2 H 1 2.59 0.03 . 1 . . . . . . . . 4945 1 824 . 1 1 70 70 ASN HB3 H 1 2.95 0.03 . 1 . . . . . . . . 4945 1 825 . 1 1 70 70 ASN C C 13 173.42 0.12 . 1 . . . . . . . . 4945 1 826 . 1 1 70 70 ASN CA C 13 53.21 0.12 . 1 . . . . . . . . 4945 1 827 . 1 1 70 70 ASN CB C 13 40.19 0.12 . 1 . . . . . . . . 4945 1 828 . 1 1 70 70 ASN N N 15 123.77 0.15 . 1 . . . . . . . . 4945 1 829 . 1 1 70 70 ASN ND2 N 15 113.60 0.15 . 1 . . . . . . . . 4945 1 830 . 1 1 71 71 ILE H H 1 8.53 0.03 . 1 . . . . . . . . 4945 1 831 . 1 1 71 71 ILE HA H 1 4.05 0.03 . 1 . . . . . . . . 4945 1 832 . 1 1 71 71 ILE HB H 1 1.96 0.03 . 1 . . . . . . . . 4945 1 833 . 1 1 71 71 ILE HG12 H 1 0.97 0.03 . 1 . . . . . . . . 4945 1 834 . 1 1 71 71 ILE HG13 H 1 1.44 0.03 . 1 . . . . . . . . 4945 1 835 . 1 1 71 71 ILE HG21 H 1 1.32 0.03 . 1 . . . . . . . . 4945 1 836 . 1 1 71 71 ILE HG22 H 1 1.32 0.03 . 1 . . . . . . . . 4945 1 837 . 1 1 71 71 ILE HG23 H 1 1.32 0.03 . 1 . . . . . . . . 4945 1 838 . 1 1 71 71 ILE HD11 H 1 0.87 0.03 . 1 . . . . . . . . 4945 1 839 . 1 1 71 71 ILE HD12 H 1 0.87 0.03 . 1 . . . . . . . . 4945 1 840 . 1 1 71 71 ILE HD13 H 1 0.87 0.03 . 1 . . . . . . . . 4945 1 841 . 1 1 71 71 ILE C C 13 176.34 0.12 . 1 . . . . . . . . 4945 1 842 . 1 1 71 71 ILE CA C 13 63.30 0.12 . 1 . . . . . . . . 4945 1 843 . 1 1 71 71 ILE CB C 13 38.40 0.12 . 1 . . . . . . . . 4945 1 844 . 1 1 71 71 ILE CG1 C 13 27.80 0.12 . 1 . . . . . . . . 4945 1 845 . 1 1 71 71 ILE CG2 C 13 17.60 0.12 . 1 . . . . . . . . 4945 1 846 . 1 1 71 71 ILE CD1 C 13 13.90 0.12 . 1 . . . . . . . . 4945 1 847 . 1 1 71 71 ILE N N 15 125.00 0.15 . 1 . . . . . . . . 4945 1 848 . 1 1 72 72 LEU H H 1 8.33 0.03 . 1 . . . . . . . . 4945 1 849 . 1 1 72 72 LEU HA H 1 4.08 0.03 . 1 . . . . . . . . 4945 1 850 . 1 1 72 72 LEU HB2 H 1 1.37 0.03 . 1 . . . . . . . . 4945 1 851 . 1 1 72 72 LEU HB3 H 1 1.65 0.03 . 1 . . . . . . . . 4945 1 852 . 1 1 72 72 LEU HG H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 853 . 1 1 72 72 LEU HD11 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 854 . 1 1 72 72 LEU HD12 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 855 . 1 1 72 72 LEU HD13 H 1 0.86 0.03 . 1 . . . . . . . . 4945 1 856 . 1 1 72 72 LEU HD21 H 1 0.81 0.03 . 1 . . . . . . . . 4945 1 857 . 1 1 72 72 LEU HD22 H 1 0.81 0.03 . 1 . . . . . . . . 4945 1 858 . 1 1 72 72 LEU HD23 H 1 0.81 0.03 . 1 . . . . . . . . 4945 1 859 . 1 1 72 72 LEU C C 13 177.04 0.12 . 1 . . . . . . . . 4945 1 860 . 1 1 72 72 LEU CA C 13 56.70 0.12 . 1 . . . . . . . . 4945 1 861 . 1 1 72 72 LEU CB C 13 41.80 0.12 . 1 . . . . . . . . 4945 1 862 . 1 1 72 72 LEU CD1 C 13 25.40 0.12 . 1 . . . . . . . . 4945 1 863 . 1 1 72 72 LEU CD2 C 13 22.80 0.12 . 1 . . . . . . . . 4945 1 864 . 1 1 72 72 LEU N N 15 120.53 0.15 . 1 . . . . . . . . 4945 1 865 . 1 1 73 73 ILE H H 1 7.76 0.03 . 1 . . . . . . . . 4945 1 866 . 1 1 73 73 ILE HA H 1 3.95 0.03 . 1 . . . . . . . . 4945 1 867 . 1 1 73 73 ILE HB H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 868 . 1 1 73 73 ILE HG12 H 1 0.56 0.03 . 1 . . . . . . . . 4945 1 869 . 1 1 73 73 ILE HG13 H 1 1.28 0.03 . 1 . . . . . . . . 4945 1 870 . 1 1 73 73 ILE HG21 H 1 1.05 0.03 . 1 . . . . . . . . 4945 1 871 . 1 1 73 73 ILE HG22 H 1 1.05 0.03 . 1 . . . . . . . . 4945 1 872 . 1 1 73 73 ILE HG23 H 1 1.05 0.03 . 1 . . . . . . . . 4945 1 873 . 1 1 73 73 ILE HD11 H 1 0.63 0.03 . 1 . . . . . . . . 4945 1 874 . 1 1 73 73 ILE HD12 H 1 0.63 0.03 . 1 . . . . . . . . 4945 1 875 . 1 1 73 73 ILE HD13 H 1 0.63 0.03 . 1 . . . . . . . . 4945 1 876 . 1 1 73 73 ILE C C 13 179.56 0.12 . 1 . . . . . . . . 4945 1 877 . 1 1 73 73 ILE CA C 13 60.62 0.12 . 1 . . . . . . . . 4945 1 878 . 1 1 73 73 ILE CB C 13 38.20 0.12 . 1 . . . . . . . . 4945 1 879 . 1 1 73 73 ILE CG1 C 13 28.83 0.12 . 1 . . . . . . . . 4945 1 880 . 1 1 73 73 ILE CG2 C 13 17.80 0.12 . 1 . . . . . . . . 4945 1 881 . 1 1 73 73 ILE CD1 C 13 13.80 0.12 . 1 . . . . . . . . 4945 1 882 . 1 1 73 73 ILE N N 15 118.52 0.15 . 1 . . . . . . . . 4945 1 883 . 1 1 74 74 HIS H H 1 7.24 0.03 . 1 . . . . . . . . 4945 1 884 . 1 1 74 74 HIS HA H 1 4.60 0.03 . 1 . . . . . . . . 4945 1 885 . 1 1 74 74 HIS HB2 H 1 3.06 0.03 . 1 . . . . . . . . 4945 1 886 . 1 1 74 74 HIS HB3 H 1 3.34 0.03 . 1 . . . . . . . . 4945 1 887 . 1 1 74 74 HIS HD2 H 1 7.14 0.03 . 1 . . . . . . . . 4945 1 888 . 1 1 74 74 HIS HE1 H 1 8.08 0.03 . 1 . . . . . . . . 4945 1 889 . 1 1 74 74 HIS C C 13 175.53 0.12 . 1 . . . . . . . . 4945 1 890 . 1 1 74 74 HIS CA C 13 55.85 0.12 . 1 . . . . . . . . 4945 1 891 . 1 1 74 74 HIS CB C 13 29.55 0.12 . 1 . . . . . . . . 4945 1 892 . 1 1 74 74 HIS N N 15 116.90 0.15 . 1 . . . . . . . . 4945 1 893 . 1 1 75 75 GLN H H 1 7.50 0.03 . 1 . . . . . . . . 4945 1 894 . 1 1 75 75 GLN HA H 1 4.40 0.03 . 1 . . . . . . . . 4945 1 895 . 1 1 75 75 GLN HB2 H 1 1.95 0.03 . 1 . . . . . . . . 4945 1 896 . 1 1 75 75 GLN HB3 H 1 2.21 0.03 . 1 . . . . . . . . 4945 1 897 . 1 1 75 75 GLN HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4945 1 898 . 1 1 75 75 GLN HG3 H 1 2.37 0.03 . 1 . . . . . . . . 4945 1 899 . 1 1 75 75 GLN HE22 H 1 7.41 0.03 . 1 . . . . . . . . 4945 1 900 . 1 1 75 75 GLN C C 13 175.43 0.12 . 1 . . . . . . . . 4945 1 901 . 1 1 75 75 GLN CA C 13 55.40 0.12 . 1 . . . . . . . . 4945 1 902 . 1 1 75 75 GLN CB C 13 29.80 0.12 . 1 . . . . . . . . 4945 1 903 . 1 1 75 75 GLN CG C 13 33.60 0.12 . 1 . . . . . . . . 4945 1 904 . 1 1 75 75 GLN N N 15 116.67 0.15 . 1 . . . . . . . . 4945 1 905 . 1 1 75 75 GLN NE2 N 15 111.40 0.15 . 1 . . . . . . . . 4945 1 906 . 1 1 76 76 ASN H H 1 7.87 0.03 . 1 . . . . . . . . 4945 1 907 . 1 1 76 76 ASN HA H 1 4.78 0.03 . 1 . . . . . . . . 4945 1 908 . 1 1 76 76 ASN HB2 H 1 2.63 0.03 . 1 . . . . . . . . 4945 1 909 . 1 1 76 76 ASN HB3 H 1 2.86 0.03 . 1 . . . . . . . . 4945 1 910 . 1 1 76 76 ASN C C 13 174.93 0.12 . 1 . . . . . . . . 4945 1 911 . 1 1 76 76 ASN CA C 13 53.04 0.12 . 1 . . . . . . . . 4945 1 912 . 1 1 76 76 ASN CB C 13 39.29 0.12 . 1 . . . . . . . . 4945 1 913 . 1 1 76 76 ASN N N 15 119.45 0.15 . 1 . . . . . . . . 4945 1 914 . 1 1 76 76 ASN ND2 N 15 114.20 0.15 . 1 . . . . . . . . 4945 1 915 . 1 1 77 77 GLY H H 1 8.60 0.03 . 1 . . . . . . . . 4945 1 916 . 1 1 77 77 GLY HA2 H 1 4.03 0.03 . 1 . . . . . . . . 4945 1 917 . 1 1 77 77 GLY HA3 H 1 4.03 0.03 . 1 . . . . . . . . 4945 1 918 . 1 1 77 77 GLY C C 13 174.62 0.12 . 1 . . . . . . . . 4945 1 919 . 1 1 77 77 GLY CA C 13 46.60 0.12 . 1 . . . . . . . . 4945 1 920 . 1 1 77 77 GLY N N 15 112.90 0.15 . 1 . . . . . . . . 4945 1 921 . 1 1 78 78 LYS H H 1 8.21 0.03 . 1 . . . . . . . . 4945 1 922 . 1 1 78 78 LYS HA H 1 4.15 0.03 . 1 . . . . . . . . 4945 1 923 . 1 1 78 78 LYS HB2 H 1 1.89 0.03 . 1 . . . . . . . . 4945 1 924 . 1 1 78 78 LYS HB3 H 1 1.89 0.03 . 1 . . . . . . . . 4945 1 925 . 1 1 78 78 LYS HG2 H 1 1.45 0.03 . 1 . . . . . . . . 4945 1 926 . 1 1 78 78 LYS HG3 H 1 1.45 0.03 . 1 . . . . . . . . 4945 1 927 . 1 1 78 78 LYS HD2 H 1 1.62 0.03 . 1 . . . . . . . . 4945 1 928 . 1 1 78 78 LYS HD3 H 1 1.69 0.03 . 1 . . . . . . . . 4945 1 929 . 1 1 78 78 LYS C C 13 175.13 0.12 . 1 . . . . . . . . 4945 1 930 . 1 1 78 78 LYS CA C 13 59.40 0.12 . 1 . . . . . . . . 4945 1 931 . 1 1 78 78 LYS CB C 13 32.50 0.12 . 1 . . . . . . . . 4945 1 932 . 1 1 78 78 LYS CG C 13 25.00 0.12 . 1 . . . . . . . . 4945 1 933 . 1 1 78 78 LYS CD C 13 28.80 0.12 . 1 . . . . . . . . 4945 1 934 . 1 1 78 78 LYS N N 15 123.15 0.15 . 1 . . . . . . . . 4945 1 935 . 1 1 79 79 LEU H H 1 7.95 0.03 . 1 . . . . . . . . 4945 1 936 . 1 1 79 79 LEU HA H 1 4.17 0.03 . 1 . . . . . . . . 4945 1 937 . 1 1 79 79 LEU HB2 H 1 1.28 0.03 . 1 . . . . . . . . 4945 1 938 . 1 1 79 79 LEU HB3 H 1 1.67 0.03 . 1 . . . . . . . . 4945 1 939 . 1 1 79 79 LEU HG H 1 1.65 0.03 . 1 . . . . . . . . 4945 1 940 . 1 1 79 79 LEU HD11 H 1 0.83 0.03 . 1 . . . . . . . . 4945 1 941 . 1 1 79 79 LEU HD12 H 1 0.83 0.03 . 1 . . . . . . . . 4945 1 942 . 1 1 79 79 LEU HD13 H 1 0.83 0.03 . 1 . . . . . . . . 4945 1 943 . 1 1 79 79 LEU HD21 H 1 0.85 0.03 . 1 . . . . . . . . 4945 1 944 . 1 1 79 79 LEU HD22 H 1 0.85 0.03 . 1 . . . . . . . . 4945 1 945 . 1 1 79 79 LEU HD23 H 1 0.85 0.03 . 1 . . . . . . . . 4945 1 946 . 1 1 79 79 LEU C C 13 178.20 0.12 . 1 . . . . . . . . 4945 1 947 . 1 1 79 79 LEU CA C 13 57.60 0.12 . 1 . . . . . . . . 4945 1 948 . 1 1 79 79 LEU CB C 13 40.87 0.12 . 1 . . . . . . . . 4945 1 949 . 1 1 79 79 LEU CD1 C 13 25.77 0.12 . 1 . . . . . . . . 4945 1 950 . 1 1 79 79 LEU CD2 C 13 22.47 0.12 . 1 . . . . . . . . 4945 1 951 . 1 1 79 79 LEU N N 15 117.60 0.15 . 1 . . . . . . . . 4945 1 952 . 1 1 80 80 SER H H 1 8.26 0.03 . 1 . . . . . . . . 4945 1 953 . 1 1 80 80 SER HA H 1 4.12 0.03 . 1 . . . . . . . . 4945 1 954 . 1 1 80 80 SER HB2 H 1 4.23 0.03 . 1 . . . . . . . . 4945 1 955 . 1 1 80 80 SER HB3 H 1 4.23 0.03 . 1 . . . . . . . . 4945 1 956 . 1 1 80 80 SER C C 13 179.06 0.12 . 1 . . . . . . . . 4945 1 957 . 1 1 80 80 SER CA C 13 61.60 0.12 . 1 . . . . . . . . 4945 1 958 . 1 1 80 80 SER CB C 13 61.80 0.12 . 1 . . . . . . . . 4945 1 959 . 1 1 80 80 SER N N 15 112.66 0.15 . 1 . . . . . . . . 4945 1 960 . 1 1 81 81 ALA H H 1 7.87 0.03 . 1 . . . . . . . . 4945 1 961 . 1 1 81 81 ALA HA H 1 4.17 0.03 . 1 . . . . . . . . 4945 1 962 . 1 1 81 81 ALA HB1 H 1 1.56 0.03 . 1 . . . . . . . . 4945 1 963 . 1 1 81 81 ALA HB2 H 1 1.56 0.03 . 1 . . . . . . . . 4945 1 964 . 1 1 81 81 ALA HB3 H 1 1.56 0.03 . 1 . . . . . . . . 4945 1 965 . 1 1 81 81 ALA C C 13 177.24 0.12 . 1 . . . . . . . . 4945 1 966 . 1 1 81 81 ALA CA C 13 55.20 0.12 . 1 . . . . . . . . 4945 1 967 . 1 1 81 81 ALA CB C 13 18.00 0.12 . 1 . . . . . . . . 4945 1 968 . 1 1 81 81 ALA N N 15 124.38 0.15 . 1 . . . . . . . . 4945 1 969 . 1 1 82 82 ASP H H 1 8.47 0.03 . 1 . . . . . . . . 4945 1 970 . 1 1 82 82 ASP HA H 1 4.48 0.03 . 1 . . . . . . . . 4945 1 971 . 1 1 82 82 ASP HB2 H 1 2.60 0.03 . 1 . . . . . . . . 4945 1 972 . 1 1 82 82 ASP HB3 H 1 2.95 0.03 . 1 . . . . . . . . 4945 1 973 . 1 1 82 82 ASP C C 13 180.37 0.12 . 1 . . . . . . . . 4945 1 974 . 1 1 82 82 ASP CA C 13 57.10 0.12 . 1 . . . . . . . . 4945 1 975 . 1 1 82 82 ASP CB C 13 39.80 0.12 . 1 . . . . . . . . 4945 1 976 . 1 1 82 82 ASP N N 15 120.06 0.15 . 1 . . . . . . . . 4945 1 977 . 1 1 83 83 PHE H H 1 8.79 0.03 . 1 . . . . . . . . 4945 1 978 . 1 1 83 83 PHE HA H 1 4.54 0.03 . 1 . . . . . . . . 4945 1 979 . 1 1 83 83 PHE HB2 H 1 3.23 0.03 . 1 . . . . . . . . 4945 1 980 . 1 1 83 83 PHE HB3 H 1 3.27 0.03 . 1 . . . . . . . . 4945 1 981 . 1 1 83 83 PHE HD1 H 1 7.30 0.03 . 1 . . . . . . . . 4945 1 982 . 1 1 83 83 PHE HD2 H 1 7.30 0.03 . 1 . . . . . . . . 4945 1 983 . 1 1 83 83 PHE HE1 H 1 7.15 0.03 . 1 . . . . . . . . 4945 1 984 . 1 1 83 83 PHE HE2 H 1 7.15 0.03 . 1 . . . . . . . . 4945 1 985 . 1 1 83 83 PHE C C 13 179.56 0.12 . 1 . . . . . . . . 4945 1 986 . 1 1 83 83 PHE CA C 13 60.16 0.12 . 1 . . . . . . . . 4945 1 987 . 1 1 83 83 PHE CB C 13 39.30 0.12 . 1 . . . . . . . . 4945 1 988 . 1 1 83 83 PHE N N 15 119.60 0.15 . 1 . . . . . . . . 4945 1 989 . 1 1 84 84 LYS H H 1 8.63 0.03 . 1 . . . . . . . . 4945 1 990 . 1 1 84 84 LYS HA H 1 3.57 0.03 . 1 . . . . . . . . 4945 1 991 . 1 1 84 84 LYS HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4945 1 992 . 1 1 84 84 LYS HB3 H 1 1.96 0.03 . 1 . . . . . . . . 4945 1 993 . 1 1 84 84 LYS HG2 H 1 1.37 0.03 . 1 . . . . . . . . 4945 1 994 . 1 1 84 84 LYS HG3 H 1 1.60 0.03 . 1 . . . . . . . . 4945 1 995 . 1 1 84 84 LYS HD2 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 996 . 1 1 84 84 LYS HD3 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 997 . 1 1 84 84 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 998 . 1 1 84 84 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 999 . 1 1 84 84 LYS C C 13 176.54 0.12 . 1 . . . . . . . . 4945 1 1000 . 1 1 84 84 LYS CA C 13 60.40 0.12 . 1 . . . . . . . . 4945 1 1001 . 1 1 84 84 LYS CB C 13 31.90 0.12 . 1 . . . . . . . . 4945 1 1002 . 1 1 84 84 LYS CG C 13 25.33 0.12 . 1 . . . . . . . . 4945 1 1003 . 1 1 84 84 LYS CD C 13 29.34 0.12 . 1 . . . . . . . . 4945 1 1004 . 1 1 84 84 LYS N N 15 120.22 0.15 . 1 . . . . . . . . 4945 1 1005 . 1 1 85 85 ASN H H 1 7.82 0.03 . 1 . . . . . . . . 4945 1 1006 . 1 1 85 85 ASN HA H 1 4.48 0.03 . 1 . . . . . . . . 4945 1 1007 . 1 1 85 85 ASN HB2 H 1 2.93 0.03 . 1 . . . . . . . . 4945 1 1008 . 1 1 85 85 ASN HB3 H 1 2.87 0.03 . 1 . . . . . . . . 4945 1 1009 . 1 1 85 85 ASN C C 13 179.16 0.12 . 1 . . . . . . . . 4945 1 1010 . 1 1 85 85 ASN CA C 13 56.20 0.12 . 1 . . . . . . . . 4945 1 1011 . 1 1 85 85 ASN CB C 13 38.00 0.12 . 1 . . . . . . . . 4945 1 1012 . 1 1 85 85 ASN N N 15 117.44 0.15 . 1 . . . . . . . . 4945 1 1013 . 1 1 85 85 ASN ND2 N 15 113.40 0.15 . 1 . . . . . . . . 4945 1 1014 . 1 1 86 86 LEU H H 1 8.07 0.03 . 1 . . . . . . . . 4945 1 1015 . 1 1 86 86 LEU HA H 1 3.96 0.03 . 1 . . . . . . . . 4945 1 1016 . 1 1 86 86 LEU HB2 H 1 1.05 0.03 . 1 . . . . . . . . 4945 1 1017 . 1 1 86 86 LEU HB3 H 1 2.01 0.03 . 1 . . . . . . . . 4945 1 1018 . 1 1 86 86 LEU HG H 1 1.86 0.03 . 1 . . . . . . . . 4945 1 1019 . 1 1 86 86 LEU HD11 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 1020 . 1 1 86 86 LEU HD12 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 1021 . 1 1 86 86 LEU HD13 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 1022 . 1 1 86 86 LEU HD21 H 1 0.70 0.03 . 1 . . . . . . . . 4945 1 1023 . 1 1 86 86 LEU HD22 H 1 0.70 0.03 . 1 . . . . . . . . 4945 1 1024 . 1 1 86 86 LEU HD23 H 1 0.70 0.03 . 1 . . . . . . . . 4945 1 1025 . 1 1 86 86 LEU C C 13 177.95 0.12 . 1 . . . . . . . . 4945 1 1026 . 1 1 86 86 LEU CA C 13 57.57 0.12 . 1 . . . . . . . . 4945 1 1027 . 1 1 86 86 LEU CB C 13 42.70 0.12 . 1 . . . . . . . . 4945 1 1028 . 1 1 86 86 LEU CD1 C 13 27.70 0.12 . 1 . . . . . . . . 4945 1 1029 . 1 1 86 86 LEU CD2 C 13 22.50 0.12 . 1 . . . . . . . . 4945 1 1030 . 1 1 86 86 LEU N N 15 121.00 0.15 . 1 . . . . . . . . 4945 1 1031 . 1 1 87 87 LYS H H 1 9.04 0.03 . 1 . . . . . . . . 4945 1 1032 . 1 1 87 87 LYS HA H 1 3.99 0.03 . 1 . . . . . . . . 4945 1 1033 . 1 1 87 87 LYS HB2 H 1 1.62 0.03 . 1 . . . . . . . . 4945 1 1034 . 1 1 87 87 LYS HB3 H 1 1.62 0.03 . 1 . . . . . . . . 4945 1 1035 . 1 1 87 87 LYS HG2 H 1 0.98 0.03 . 1 . . . . . . . . 4945 1 1036 . 1 1 87 87 LYS HG3 H 1 1.05 0.03 . 1 . . . . . . . . 4945 1 1037 . 1 1 87 87 LYS HD2 H 1 1.40 0.03 . 1 . . . . . . . . 4945 1 1038 . 1 1 87 87 LYS HD3 H 1 1.40 0.03 . 1 . . . . . . . . 4945 1 1039 . 1 1 87 87 LYS HE2 H 1 2.20 0.03 . 1 . . . . . . . . 4945 1 1040 . 1 1 87 87 LYS HE3 H 1 2.71 0.03 . 1 . . . . . . . . 4945 1 1041 . 1 1 87 87 LYS C C 13 179.96 0.12 . 1 . . . . . . . . 4945 1 1042 . 1 1 87 87 LYS CA C 13 61.55 0.12 . 1 . . . . . . . . 4945 1 1043 . 1 1 87 87 LYS CB C 13 32.05 0.12 . 1 . . . . . . . . 4945 1 1044 . 1 1 87 87 LYS CG C 13 26.30 0.12 . 1 . . . . . . . . 4945 1 1045 . 1 1 87 87 LYS CD C 13 29.70 0.12 . 1 . . . . . . . . 4945 1 1046 . 1 1 87 87 LYS CE C 13 40.86 0.12 . 1 . . . . . . . . 4945 1 1047 . 1 1 87 87 LYS N N 15 121.76 0.15 . 1 . . . . . . . . 4945 1 1048 . 1 1 88 88 THR H H 1 8.07 0.03 . 1 . . . . . . . . 4945 1 1049 . 1 1 88 88 THR HA H 1 3.96 0.03 . 1 . . . . . . . . 4945 1 1050 . 1 1 88 88 THR HB H 1 4.30 0.03 . 1 . . . . . . . . 4945 1 1051 . 1 1 88 88 THR HG21 H 1 1.25 0.03 . 1 . . . . . . . . 4945 1 1052 . 1 1 88 88 THR HG22 H 1 1.25 0.03 . 1 . . . . . . . . 4945 1 1053 . 1 1 88 88 THR HG23 H 1 1.25 0.03 . 1 . . . . . . . . 4945 1 1054 . 1 1 88 88 THR C C 13 179.10 0.12 . 1 . . . . . . . . 4945 1 1055 . 1 1 88 88 THR CA C 13 66.20 0.12 . 1 . . . . . . . . 4945 1 1056 . 1 1 88 88 THR CB C 13 68.40 0.12 . 1 . . . . . . . . 4945 1 1057 . 1 1 88 88 THR CG2 C 13 21.67 0.12 . 1 . . . . . . . . 4945 1 1058 . 1 1 88 88 THR N N 15 117.75 0.15 . 1 . . . . . . . . 4945 1 1059 . 1 1 89 89 LYS H H 1 7.85 0.03 . 1 . . . . . . . . 4945 1 1060 . 1 1 89 89 LYS HA H 1 4.09 0.03 . 1 . . . . . . . . 4945 1 1061 . 1 1 89 89 LYS HB2 H 1 1.88 0.03 . 1 . . . . . . . . 4945 1 1062 . 1 1 89 89 LYS HB3 H 1 1.88 0.03 . 1 . . . . . . . . 4945 1 1063 . 1 1 89 89 LYS HG2 H 1 1.43 0.03 . 1 . . . . . . . . 4945 1 1064 . 1 1 89 89 LYS HG3 H 1 1.43 0.03 . 1 . . . . . . . . 4945 1 1065 . 1 1 89 89 LYS HD2 H 1 1.64 0.03 . 1 . . . . . . . . 4945 1 1066 . 1 1 89 89 LYS HD3 H 1 1.64 0.03 . 1 . . . . . . . . 4945 1 1067 . 1 1 89 89 LYS HE2 H 1 2.86 0.03 . 1 . . . . . . . . 4945 1 1068 . 1 1 89 89 LYS HE3 H 1 2.86 0.03 . 1 . . . . . . . . 4945 1 1069 . 1 1 89 89 LYS C C 13 176.69 0.12 . 1 . . . . . . . . 4945 1 1070 . 1 1 89 89 LYS CA C 13 58.90 0.12 . 1 . . . . . . . . 4945 1 1071 . 1 1 89 89 LYS CB C 13 31.70 0.12 . 1 . . . . . . . . 4945 1 1072 . 1 1 89 89 LYS CG C 13 24.80 0.12 . 1 . . . . . . . . 4945 1 1073 . 1 1 89 89 LYS CD C 13 28.80 0.12 . 1 . . . . . . . . 4945 1 1074 . 1 1 89 89 LYS N N 15 122.84 0.15 . 1 . . . . . . . . 4945 1 1075 . 1 1 90 90 TYR H H 1 8.64 0.03 . 1 . . . . . . . . 4945 1 1076 . 1 1 90 90 TYR HA H 1 4.28 0.03 . 1 . . . . . . . . 4945 1 1077 . 1 1 90 90 TYR HB2 H 1 3.09 0.03 . 1 . . . . . . . . 4945 1 1078 . 1 1 90 90 TYR HB3 H 1 3.24 0.03 . 1 . . . . . . . . 4945 1 1079 . 1 1 90 90 TYR HD1 H 1 7.14 0.03 . 1 . . . . . . . . 4945 1 1080 . 1 1 90 90 TYR HD2 H 1 7.14 0.03 . 1 . . . . . . . . 4945 1 1081 . 1 1 90 90 TYR HE1 H 1 6.64 0.03 . 1 . . . . . . . . 4945 1 1082 . 1 1 90 90 TYR HE2 H 1 6.64 0.03 . 1 . . . . . . . . 4945 1 1083 . 1 1 90 90 TYR C C 13 178.60 0.12 . 1 . . . . . . . . 4945 1 1084 . 1 1 90 90 TYR CA C 13 60.70 0.12 . 1 . . . . . . . . 4945 1 1085 . 1 1 90 90 TYR CB C 13 38.60 0.12 . 1 . . . . . . . . 4945 1 1086 . 1 1 90 90 TYR N N 15 120.68 0.15 . 1 . . . . . . . . 4945 1 1087 . 1 1 91 91 GLN H H 1 8.23 0.03 . 1 . . . . . . . . 4945 1 1088 . 1 1 91 91 GLN HA H 1 3.86 0.03 . 1 . . . . . . . . 4945 1 1089 . 1 1 91 91 GLN HB2 H 1 2.18 0.03 . 1 . . . . . . . . 4945 1 1090 . 1 1 91 91 GLN HB3 H 1 2.18 0.03 . 1 . . . . . . . . 4945 1 1091 . 1 1 91 91 GLN HG2 H 1 2.42 0.03 . 1 . . . . . . . . 4945 1 1092 . 1 1 91 91 GLN HG3 H 1 2.42 0.03 . 1 . . . . . . . . 4945 1 1093 . 1 1 91 91 GLN HE22 H 1 7.41 0.03 . 1 . . . . . . . . 4945 1 1094 . 1 1 91 91 GLN C C 13 177.04 0.12 . 1 . . . . . . . . 4945 1 1095 . 1 1 91 91 GLN CA C 13 58.95 0.12 . 1 . . . . . . . . 4945 1 1096 . 1 1 91 91 GLN CB C 13 28.09 0.12 . 1 . . . . . . . . 4945 1 1097 . 1 1 91 91 GLN CG C 13 33.69 0.12 . 1 . . . . . . . . 4945 1 1098 . 1 1 91 91 GLN N N 15 119.45 0.15 . 1 . . . . . . . . 4945 1 1099 . 1 1 91 91 GLN NE2 N 15 111.40 0.15 . 1 . . . . . . . . 4945 1 1100 . 1 1 92 92 SER H H 1 7.81 0.03 . 1 . . . . . . . . 4945 1 1101 . 1 1 92 92 SER HA H 1 4.25 0.03 . 1 . . . . . . . . 4945 1 1102 . 1 1 92 92 SER HB2 H 1 4.02 0.03 . 1 . . . . . . . . 4945 1 1103 . 1 1 92 92 SER HB3 H 1 4.02 0.03 . 1 . . . . . . . . 4945 1 1104 . 1 1 92 92 SER C C 13 178.75 0.12 . 1 . . . . . . . . 4945 1 1105 . 1 1 92 92 SER CA C 13 61.50 0.12 . 1 . . . . . . . . 4945 1 1106 . 1 1 92 92 SER CB C 13 62.50 0.12 . 1 . . . . . . . . 4945 1 1107 . 1 1 92 92 SER N N 15 114.82 0.15 . 1 . . . . . . . . 4945 1 1108 . 1 1 93 93 LEU H H 1 8.34 0.03 . 1 . . . . . . . . 4945 1 1109 . 1 1 93 93 LEU HA H 1 4.14 0.03 . 1 . . . . . . . . 4945 1 1110 . 1 1 93 93 LEU HB2 H 1 1.48 0.03 . 1 . . . . . . . . 4945 1 1111 . 1 1 93 93 LEU HB3 H 1 2.00 0.03 . 1 . . . . . . . . 4945 1 1112 . 1 1 93 93 LEU HG H 1 1.81 0.03 . 1 . . . . . . . . 4945 1 1113 . 1 1 93 93 LEU HD11 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 1114 . 1 1 93 93 LEU HD12 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 1115 . 1 1 93 93 LEU HD13 H 1 0.95 0.03 . 1 . . . . . . . . 4945 1 1116 . 1 1 93 93 LEU HD21 H 1 0.89 0.03 . 1 . . . . . . . . 4945 1 1117 . 1 1 93 93 LEU HD22 H 1 0.89 0.03 . 1 . . . . . . . . 4945 1 1118 . 1 1 93 93 LEU HD23 H 1 0.89 0.03 . 1 . . . . . . . . 4945 1 1119 . 1 1 93 93 LEU C C 13 176.84 0.12 . 1 . . . . . . . . 4945 1 1120 . 1 1 93 93 LEU CA C 13 57.60 0.12 . 1 . . . . . . . . 4945 1 1121 . 1 1 93 93 LEU CB C 13 42.00 0.12 . 1 . . . . . . . . 4945 1 1122 . 1 1 93 93 LEU CD1 C 13 25.80 0.12 . 1 . . . . . . . . 4945 1 1123 . 1 1 93 93 LEU CD2 C 13 24.00 0.12 . 1 . . . . . . . . 4945 1 1124 . 1 1 93 93 LEU N N 15 124.54 0.15 . 1 . . . . . . . . 4945 1 1125 . 1 1 94 94 GLN H H 1 8.12 0.03 . 1 . . . . . . . . 4945 1 1126 . 1 1 94 94 GLN HA H 1 3.77 0.03 . 1 . . . . . . . . 4945 1 1127 . 1 1 94 94 GLN HB2 H 1 1.90 0.03 . 1 . . . . . . . . 4945 1 1128 . 1 1 94 94 GLN HB3 H 1 1.98 0.03 . 1 . . . . . . . . 4945 1 1129 . 1 1 94 94 GLN HG2 H 1 1.90 0.03 . 1 . . . . . . . . 4945 1 1130 . 1 1 94 94 GLN HG3 H 1 2.07 0.03 . 1 . . . . . . . . 4945 1 1131 . 1 1 94 94 GLN HE22 H 1 6.57 0.03 . 1 . . . . . . . . 4945 1 1132 . 1 1 94 94 GLN C C 13 179.16 0.12 . 1 . . . . . . . . 4945 1 1133 . 1 1 94 94 GLN CA C 13 60.10 0.12 . 1 . . . . . . . . 4945 1 1134 . 1 1 94 94 GLN CB C 13 29.30 0.12 . 1 . . . . . . . . 4945 1 1135 . 1 1 94 94 GLN CG C 13 34.90 0.12 . 1 . . . . . . . . 4945 1 1136 . 1 1 94 94 GLN N N 15 118.52 0.15 . 1 . . . . . . . . 4945 1 1137 . 1 1 94 94 GLN NE2 N 15 110.20 0.15 . 1 . . . . . . . . 4945 1 1138 . 1 1 95 95 GLN H H 1 7.92 0.03 . 1 . . . . . . . . 4945 1 1139 . 1 1 95 95 GLN HA H 1 4.11 0.03 . 1 . . . . . . . . 4945 1 1140 . 1 1 95 95 GLN HB2 H 1 2.15 0.03 . 1 . . . . . . . . 4945 1 1141 . 1 1 95 95 GLN HB3 H 1 2.15 0.03 . 1 . . . . . . . . 4945 1 1142 . 1 1 95 95 GLN HG2 H 1 2.37 0.03 . 1 . . . . . . . . 4945 1 1143 . 1 1 95 95 GLN HG3 H 1 2.48 0.03 . 1 . . . . . . . . 4945 1 1144 . 1 1 95 95 GLN HE22 H 1 7.39 0.03 . 1 . . . . . . . . 4945 1 1145 . 1 1 95 95 GLN C C 13 178.10 0.12 . 1 . . . . . . . . 4945 1 1146 . 1 1 95 95 GLN CA C 13 58.92 0.12 . 1 . . . . . . . . 4945 1 1147 . 1 1 95 95 GLN CB C 13 28.27 0.12 . 1 . . . . . . . . 4945 1 1148 . 1 1 95 95 GLN CG C 13 33.78 0.12 . 1 . . . . . . . . 4945 1 1149 . 1 1 95 95 GLN N N 15 118.52 0.15 . 1 . . . . . . . . 4945 1 1150 . 1 1 95 95 GLN NE2 N 15 111.50 0.15 . 1 . . . . . . . . 4945 1 1151 . 1 1 96 96 SER H H 1 8.52 0.03 . 1 . . . . . . . . 4945 1 1152 . 1 1 96 96 SER HA H 1 4.25 0.03 . 1 . . . . . . . . 4945 1 1153 . 1 1 96 96 SER HB2 H 1 4.04 0.03 . 1 . . . . . . . . 4945 1 1154 . 1 1 96 96 SER HB3 H 1 4.04 0.03 . 1 . . . . . . . . 4945 1 1155 . 1 1 96 96 SER C C 13 178.60 0.12 . 1 . . . . . . . . 4945 1 1156 . 1 1 96 96 SER CA C 13 61.30 0.12 . 1 . . . . . . . . 4945 1 1157 . 1 1 96 96 SER CB C 13 62.80 0.12 . 1 . . . . . . . . 4945 1 1158 . 1 1 96 96 SER N N 15 116.00 0.15 . 1 . . . . . . . . 4945 1 1159 . 1 1 97 97 TYR H H 1 8.50 0.03 . 1 . . . . . . . . 4945 1 1160 . 1 1 97 97 TYR HA H 1 4.23 0.03 . 1 . . . . . . . . 4945 1 1161 . 1 1 97 97 TYR HB2 H 1 2.99 0.03 . 1 . . . . . . . . 4945 1 1162 . 1 1 97 97 TYR HB3 H 1 3.36 0.03 . 1 . . . . . . . . 4945 1 1163 . 1 1 97 97 TYR HD1 H 1 7.02 0.03 . 1 . . . . . . . . 4945 1 1164 . 1 1 97 97 TYR HD2 H 1 7.02 0.03 . 1 . . . . . . . . 4945 1 1165 . 1 1 97 97 TYR HE1 H 1 6.73 0.03 . 1 . . . . . . . . 4945 1 1166 . 1 1 97 97 TYR HE2 H 1 6.73 0.03 . 1 . . . . . . . . 4945 1 1167 . 1 1 97 97 TYR C C 13 176.64 0.12 . 1 . . . . . . . . 4945 1 1168 . 1 1 97 97 TYR CA C 13 61.74 0.12 . 1 . . . . . . . . 4945 1 1169 . 1 1 97 97 TYR CB C 13 37.70 0.12 . 1 . . . . . . . . 4945 1 1170 . 1 1 97 97 TYR N N 15 122.53 0.15 . 1 . . . . . . . . 4945 1 1171 . 1 1 98 98 ASN H H 1 7.80 0.03 . 1 . . . . . . . . 4945 1 1172 . 1 1 98 98 ASN HA H 1 3.94 0.03 . 1 . . . . . . . . 4945 1 1173 . 1 1 98 98 ASN HB2 H 1 2.71 0.03 . 1 . . . . . . . . 4945 1 1174 . 1 1 98 98 ASN HB3 H 1 2.83 0.03 . 1 . . . . . . . . 4945 1 1175 . 1 1 98 98 ASN HD21 H 1 7.43 0.03 . 2 . . . . . . . . 4945 1 1176 . 1 1 98 98 ASN HD22 H 1 6.98 0.03 . 2 . . . . . . . . 4945 1 1177 . 1 1 98 98 ASN C C 13 176.14 0.12 . 1 . . . . . . . . 4945 1 1178 . 1 1 98 98 ASN CA C 13 56.50 0.12 . 1 . . . . . . . . 4945 1 1179 . 1 1 98 98 ASN CB C 13 38.10 0.12 . 1 . . . . . . . . 4945 1 1180 . 1 1 98 98 ASN N N 15 115.90 0.15 . 1 . . . . . . . . 4945 1 1181 . 1 1 99 99 GLN H H 1 8.12 0.03 . 1 . . . . . . . . 4945 1 1182 . 1 1 99 99 GLN HA H 1 4.04 0.03 . 1 . . . . . . . . 4945 1 1183 . 1 1 99 99 GLN HB2 H 1 2.16 0.03 . 1 . . . . . . . . 4945 1 1184 . 1 1 99 99 GLN HB3 H 1 2.16 0.03 . 1 . . . . . . . . 4945 1 1185 . 1 1 99 99 GLN HG2 H 1 2.26 0.03 . 1 . . . . . . . . 4945 1 1186 . 1 1 99 99 GLN HG3 H 1 2.46 0.03 . 1 . . . . . . . . 4945 1 1187 . 1 1 99 99 GLN HE22 H 1 7.32 0.03 . 1 . . . . . . . . 4945 1 1188 . 1 1 99 99 GLN C C 13 178.00 0.12 . 1 . . . . . . . . 4945 1 1189 . 1 1 99 99 GLN CA C 13 58.61 0.12 . 1 . . . . . . . . 4945 1 1190 . 1 1 99 99 GLN CB C 13 28.56 0.12 . 1 . . . . . . . . 4945 1 1191 . 1 1 99 99 GLN CG C 13 33.50 0.12 . 1 . . . . . . . . 4945 1 1192 . 1 1 99 99 GLN N N 15 119.14 0.15 . 1 . . . . . . . . 4945 1 1193 . 1 1 99 99 GLN NE2 N 15 111.10 0.15 . 1 . . . . . . . . 4945 1 1194 . 1 1 100 100 ARG H H 1 8.77 0.03 . 1 . . . . . . . . 4945 1 1195 . 1 1 100 100 ARG HA H 1 3.96 0.03 . 1 . . . . . . . . 4945 1 1196 . 1 1 100 100 ARG HB2 H 1 1.91 0.03 . 1 . . . . . . . . 4945 1 1197 . 1 1 100 100 ARG HB3 H 1 1.83 0.03 . 1 . . . . . . . . 4945 1 1198 . 1 1 100 100 ARG HG2 H 1 1.73 0.03 . 1 . . . . . . . . 4945 1 1199 . 1 1 100 100 ARG HG3 H 1 2.03 0.03 . 1 . . . . . . . . 4945 1 1200 . 1 1 100 100 ARG HD2 H 1 3.20 0.03 . 1 . . . . . . . . 4945 1 1201 . 1 1 100 100 ARG HD3 H 1 3.20 0.03 . 1 . . . . . . . . 4945 1 1202 . 1 1 100 100 ARG C C 13 178.70 0.12 . 1 . . . . . . . . 4945 1 1203 . 1 1 100 100 ARG CA C 13 59.90 0.12 . 1 . . . . . . . . 4945 1 1204 . 1 1 100 100 ARG CB C 13 29.80 0.12 . 1 . . . . . . . . 4945 1 1205 . 1 1 100 100 ARG CG C 13 28.83 0.12 . 1 . . . . . . . . 4945 1 1206 . 1 1 100 100 ARG CD C 13 43.56 0.12 . 1 . . . . . . . . 4945 1 1207 . 1 1 100 100 ARG N N 15 120.68 0.15 . 1 . . . . . . . . 4945 1 1208 . 1 1 101 101 LYS H H 1 8.46 0.03 . 1 . . . . . . . . 4945 1 1209 . 1 1 101 101 LYS HA H 1 3.83 0.03 . 1 . . . . . . . . 4945 1 1210 . 1 1 101 101 LYS HB2 H 1 1.36 0.03 . 1 . . . . . . . . 4945 1 1211 . 1 1 101 101 LYS HB3 H 1 1.63 0.03 . 1 . . . . . . . . 4945 1 1212 . 1 1 101 101 LYS HG2 H 1 1.08 0.03 . 1 . . . . . . . . 4945 1 1213 . 1 1 101 101 LYS HG3 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 1214 . 1 1 101 101 LYS HD2 H 1 1.48 0.03 . 1 . . . . . . . . 4945 1 1215 . 1 1 101 101 LYS HD3 H 1 1.48 0.03 . 1 . . . . . . . . 4945 1 1216 . 1 1 101 101 LYS HE2 H 1 2.70 0.03 . 1 . . . . . . . . 4945 1 1217 . 1 1 101 101 LYS HE3 H 1 2.85 0.03 . 1 . . . . . . . . 4945 1 1218 . 1 1 101 101 LYS C C 13 178.25 0.12 . 1 . . . . . . . . 4945 1 1219 . 1 1 101 101 LYS CA C 13 59.46 0.12 . 1 . . . . . . . . 4945 1 1220 . 1 1 101 101 LYS CB C 13 31.13 0.12 . 1 . . . . . . . . 4945 1 1221 . 1 1 101 101 LYS CG C 13 24.35 0.12 . 1 . . . . . . . . 4945 1 1222 . 1 1 101 101 LYS CD C 13 29.61 0.12 . 1 . . . . . . . . 4945 1 1223 . 1 1 101 101 LYS CE C 13 41.90 0.12 . 1 . . . . . . . . 4945 1 1224 . 1 1 101 101 LYS N N 15 117.29 0.15 . 1 . . . . . . . . 4945 1 1225 . 1 1 102 102 SER H H 1 7.08 0.03 . 1 . . . . . . . . 4945 1 1226 . 1 1 102 102 SER HA H 1 4.16 0.03 . 1 . . . . . . . . 4945 1 1227 . 1 1 102 102 SER HB2 H 1 3.87 0.03 . 1 . . . . . . . . 4945 1 1228 . 1 1 102 102 SER HB3 H 1 3.87 0.03 . 1 . . . . . . . . 4945 1 1229 . 1 1 102 102 SER C C 13 178.20 0.12 . 1 . . . . . . . . 4945 1 1230 . 1 1 102 102 SER CA C 13 60.23 0.12 . 1 . . . . . . . . 4945 1 1231 . 1 1 102 102 SER CB C 13 63.00 0.12 . 1 . . . . . . . . 4945 1 1232 . 1 1 102 102 SER N N 15 113.43 0.15 . 1 . . . . . . . . 4945 1 1233 . 1 1 103 103 LEU H H 1 7.42 0.03 . 1 . . . . . . . . 4945 1 1234 . 1 1 103 103 LEU HA H 1 3.95 0.03 . 1 . . . . . . . . 4945 1 1235 . 1 1 103 103 LEU HB2 H 1 0.91 0.03 . 1 . . . . . . . . 4945 1 1236 . 1 1 103 103 LEU HB3 H 1 1.43 0.03 . 1 . . . . . . . . 4945 1 1237 . 1 1 103 103 LEU HG H 1 1.36 0.03 . 1 . . . . . . . . 4945 1 1238 . 1 1 103 103 LEU HD11 H 1 0.73 0.03 . 1 . . . . . . . . 4945 1 1239 . 1 1 103 103 LEU HD12 H 1 0.73 0.03 . 1 . . . . . . . . 4945 1 1240 . 1 1 103 103 LEU HD13 H 1 0.73 0.03 . 1 . . . . . . . . 4945 1 1241 . 1 1 103 103 LEU HD21 H 1 0.65 0.03 . 1 . . . . . . . . 4945 1 1242 . 1 1 103 103 LEU HD22 H 1 0.65 0.03 . 1 . . . . . . . . 4945 1 1243 . 1 1 103 103 LEU HD23 H 1 0.65 0.03 . 1 . . . . . . . . 4945 1 1244 . 1 1 103 103 LEU C C 13 175.03 0.12 . 1 . . . . . . . . 4945 1 1245 . 1 1 103 103 LEU CA C 13 55.91 0.12 . 1 . . . . . . . . 4945 1 1246 . 1 1 103 103 LEU CB C 13 42.90 0.12 . 1 . . . . . . . . 4945 1 1247 . 1 1 103 103 LEU CD1 C 13 24.59 0.12 . 1 . . . . . . . . 4945 1 1248 . 1 1 103 103 LEU CD2 C 13 22.86 0.12 . 1 . . . . . . . . 4945 1 1249 . 1 1 103 103 LEU N N 15 121.45 0.15 . 1 . . . . . . . . 4945 1 1250 . 1 1 104 104 PHE H H 1 7.35 0.03 . 1 . . . . . . . . 4945 1 1251 . 1 1 104 104 PHE HA H 1 5.01 0.03 . 1 . . . . . . . . 4945 1 1252 . 1 1 104 104 PHE HB2 H 1 2.69 0.03 . 1 . . . . . . . . 4945 1 1253 . 1 1 104 104 PHE HB3 H 1 3.04 0.03 . 1 . . . . . . . . 4945 1 1254 . 1 1 104 104 PHE HD1 H 1 7.35 0.03 . 1 . . . . . . . . 4945 1 1255 . 1 1 104 104 PHE HD2 H 1 7.35 0.03 . 1 . . . . . . . . 4945 1 1256 . 1 1 104 104 PHE HE1 H 1 7.24 0.03 . 1 . . . . . . . . 4945 1 1257 . 1 1 104 104 PHE HE2 H 1 7.24 0.03 . 1 . . . . . . . . 4945 1 1258 . 1 1 104 104 PHE C C 13 176.34 0.12 . 1 . . . . . . . . 4945 1 1259 . 1 1 104 104 PHE CA C 13 54.50 0.12 . 1 . . . . . . . . 4945 1 1260 . 1 1 104 104 PHE CB C 13 38.97 0.12 . 1 . . . . . . . . 4945 1 1261 . 1 1 104 104 PHE N N 15 116.36 0.15 . 1 . . . . . . . . 4945 1 1262 . 1 1 105 105 PRO HA H 1 4.53 0.03 . 1 . . . . . . . . 4945 1 1263 . 1 1 105 105 PRO HB2 H 1 1.84 0.03 . 1 . . . . . . . . 4945 1 1264 . 1 1 105 105 PRO HB3 H 1 2.24 0.03 . 1 . . . . . . . . 4945 1 1265 . 1 1 105 105 PRO HG2 H 1 1.94 0.03 . 1 . . . . . . . . 4945 1 1266 . 1 1 105 105 PRO HG3 H 1 1.94 0.03 . 1 . . . . . . . . 4945 1 1267 . 1 1 105 105 PRO HD2 H 1 3.36 0.03 . 1 . . . . . . . . 4945 1 1268 . 1 1 105 105 PRO HD3 H 1 3.57 0.03 . 1 . . . . . . . . 4945 1 1269 . 1 1 105 105 PRO C C 13 172.00 0.12 . 1 . . . . . . . . 4945 1 1270 . 1 1 105 105 PRO CA C 13 62.73 0.12 . 1 . . . . . . . . 4945 1 1271 . 1 1 105 105 PRO CB C 13 31.90 0.12 . 1 . . . . . . . . 4945 1 1272 . 1 1 105 105 PRO CG C 13 27.20 0.12 . 1 . . . . . . . . 4945 1 1273 . 1 1 105 105 PRO CD C 13 50.10 0.12 . 1 . . . . . . . . 4945 1 1274 . 1 1 106 106 LEU H H 1 8.45 0.03 . 1 . . . . . . . . 4945 1 1275 . 1 1 106 106 LEU HA H 1 4.33 0.03 . 1 . . . . . . . . 4945 1 1276 . 1 1 106 106 LEU HB2 H 1 1.43 0.03 . 1 . . . . . . . . 4945 1 1277 . 1 1 106 106 LEU HB3 H 1 1.61 0.03 . 1 . . . . . . . . 4945 1 1278 . 1 1 106 106 LEU HG H 1 1.59 0.03 . 1 . . . . . . . . 4945 1 1279 . 1 1 106 106 LEU HD11 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 1280 . 1 1 106 106 LEU HD12 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 1281 . 1 1 106 106 LEU HD13 H 1 0.80 0.03 . 1 . . . . . . . . 4945 1 1282 . 1 1 106 106 LEU HD21 H 1 0.76 0.03 . 1 . . . . . . . . 4945 1 1283 . 1 1 106 106 LEU HD22 H 1 0.76 0.03 . 1 . . . . . . . . 4945 1 1284 . 1 1 106 106 LEU HD23 H 1 0.76 0.03 . 1 . . . . . . . . 4945 1 1285 . 1 1 106 106 LEU C C 13 177.40 0.12 . 1 . . . . . . . . 4945 1 1286 . 1 1 106 106 LEU CA C 13 54.50 0.12 . 1 . . . . . . . . 4945 1 1287 . 1 1 106 106 LEU CB C 13 42.30 0.12 . 1 . . . . . . . . 4945 1 1288 . 1 1 106 106 LEU CD1 C 13 25.10 0.12 . 1 . . . . . . . . 4945 1 1289 . 1 1 106 106 LEU CD2 C 13 22.70 0.12 . 1 . . . . . . . . 4945 1 1290 . 1 1 106 106 LEU N N 15 122.38 0.15 . 1 . . . . . . . . 4945 1 1291 . 1 1 107 107 LYS H H 1 8.41 0.03 . 1 . . . . . . . . 4945 1 1292 . 1 1 107 107 LYS HA H 1 4.37 0.03 . 1 . . . . . . . . 4945 1 1293 . 1 1 107 107 LYS HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4945 1 1294 . 1 1 107 107 LYS HB3 H 1 1.79 0.03 . 1 . . . . . . . . 4945 1 1295 . 1 1 107 107 LYS HG2 H 1 1.37 0.03 . 1 . . . . . . . . 4945 1 1296 . 1 1 107 107 LYS HG3 H 1 1.42 0.03 . 1 . . . . . . . . 4945 1 1297 . 1 1 107 107 LYS HD2 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 1298 . 1 1 107 107 LYS HD3 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 1299 . 1 1 107 107 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 1300 . 1 1 107 107 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 1301 . 1 1 107 107 LYS C C 13 177.24 0.12 . 1 . . . . . . . . 4945 1 1302 . 1 1 107 107 LYS CA C 13 55.78 0.12 . 1 . . . . . . . . 4945 1 1303 . 1 1 107 107 LYS CB C 13 33.10 0.12 . 1 . . . . . . . . 4945 1 1304 . 1 1 107 107 LYS CG C 13 24.64 0.12 . 1 . . . . . . . . 4945 1 1305 . 1 1 107 107 LYS CD C 13 29.00 0.12 . 1 . . . . . . . . 4945 1 1306 . 1 1 107 107 LYS N N 15 122.99 0.15 . 1 . . . . . . . . 4945 1 1307 . 1 1 108 108 THR H H 1 8.25 0.03 . 1 . . . . . . . . 4945 1 1308 . 1 1 108 108 THR HA H 1 4.55 0.03 . 1 . . . . . . . . 4945 1 1309 . 1 1 108 108 THR HB H 1 4.11 0.03 . 1 . . . . . . . . 4945 1 1310 . 1 1 108 108 THR HG21 H 1 1.23 0.03 . 1 . . . . . . . . 4945 1 1311 . 1 1 108 108 THR HG22 H 1 1.23 0.03 . 1 . . . . . . . . 4945 1 1312 . 1 1 108 108 THR HG23 H 1 1.23 0.03 . 1 . . . . . . . . 4945 1 1313 . 1 1 108 108 THR C C 13 176.29 0.12 . 1 . . . . . . . . 4945 1 1314 . 1 1 108 108 THR CA C 13 59.70 0.12 . 1 . . . . . . . . 4945 1 1315 . 1 1 108 108 THR CB C 13 69.70 0.12 . 1 . . . . . . . . 4945 1 1316 . 1 1 108 108 THR CG2 C 13 21.50 0.12 . 1 . . . . . . . . 4945 1 1317 . 1 1 108 108 THR N N 15 118.98 0.15 . 1 . . . . . . . . 4945 1 1318 . 1 1 109 109 PRO HA H 1 4.43 0.03 . 1 . . . . . . . . 4945 1 1319 . 1 1 109 109 PRO HB2 H 1 1.87 0.03 . 1 . . . . . . . . 4945 1 1320 . 1 1 109 109 PRO HB3 H 1 2.28 0.03 . 1 . . . . . . . . 4945 1 1321 . 1 1 109 109 PRO HG2 H 1 2.00 0.03 . 1 . . . . . . . . 4945 1 1322 . 1 1 109 109 PRO HG3 H 1 2.00 0.03 . 1 . . . . . . . . 4945 1 1323 . 1 1 109 109 PRO HD2 H 1 3.71 0.03 . 1 . . . . . . . . 4945 1 1324 . 1 1 109 109 PRO HD3 H 1 3.85 0.03 . 1 . . . . . . . . 4945 1 1325 . 1 1 109 109 PRO C C 13 172.80 0.12 . 1 . . . . . . . . 4945 1 1326 . 1 1 109 109 PRO CA C 13 62.90 0.12 . 1 . . . . . . . . 4945 1 1327 . 1 1 109 109 PRO CB C 13 32.10 0.12 . 1 . . . . . . . . 4945 1 1328 . 1 1 109 109 PRO CG C 13 27.20 0.12 . 1 . . . . . . . . 4945 1 1329 . 1 1 109 109 PRO CD C 13 51.00 0.12 . 1 . . . . . . . . 4945 1 1330 . 1 1 110 110 ILE H H 1 8.19 0.03 . 1 . . . . . . . . 4945 1 1331 . 1 1 110 110 ILE HA H 1 4.13 0.03 . 1 . . . . . . . . 4945 1 1332 . 1 1 110 110 ILE HB H 1 1.80 0.03 . 1 . . . . . . . . 4945 1 1333 . 1 1 110 110 ILE HG12 H 1 0.87 0.03 . 1 . . . . . . . . 4945 1 1334 . 1 1 110 110 ILE HG13 H 1 1.46 0.03 . 1 . . . . . . . . 4945 1 1335 . 1 1 110 110 ILE HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 1336 . 1 1 110 110 ILE HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 1337 . 1 1 110 110 ILE HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 1338 . 1 1 110 110 ILE HD11 H 1 0.84 0.03 . 1 . . . . . . . . 4945 1 1339 . 1 1 110 110 ILE HD12 H 1 0.84 0.03 . 1 . . . . . . . . 4945 1 1340 . 1 1 110 110 ILE HD13 H 1 0.84 0.03 . 1 . . . . . . . . 4945 1 1341 . 1 1 110 110 ILE C C 13 176.50 0.12 . 1 . . . . . . . . 4945 1 1342 . 1 1 110 110 ILE CA C 13 60.72 0.12 . 1 . . . . . . . . 4945 1 1343 . 1 1 110 110 ILE CB C 13 38.77 0.12 . 1 . . . . . . . . 4945 1 1344 . 1 1 110 110 ILE CG1 C 13 27.30 0.12 . 1 . . . . . . . . 4945 1 1345 . 1 1 110 110 ILE CG2 C 13 17.30 0.12 . 1 . . . . . . . . 4945 1 1346 . 1 1 110 110 ILE CD1 C 13 12.90 0.12 . 1 . . . . . . . . 4945 1 1347 . 1 1 110 110 ILE N N 15 120.99 0.15 . 1 . . . . . . . . 4945 1 1348 . 1 1 111 111 SER H H 1 8.38 0.03 . 1 . . . . . . . . 4945 1 1349 . 1 1 111 111 SER HA H 1 4.76 0.03 . 1 . . . . . . . . 4945 1 1350 . 1 1 111 111 SER HB2 H 1 3.80 0.03 . 1 . . . . . . . . 4945 1 1351 . 1 1 111 111 SER HB3 H 1 3.85 0.03 . 1 . . . . . . . . 4945 1 1352 . 1 1 111 111 SER C C 13 175.99 0.12 . 1 . . . . . . . . 4945 1 1353 . 1 1 111 111 SER CA C 13 55.90 0.12 . 1 . . . . . . . . 4945 1 1354 . 1 1 111 111 SER CB C 13 63.20 0.12 . 1 . . . . . . . . 4945 1 1355 . 1 1 111 111 SER N N 15 121.45 0.15 . 1 . . . . . . . . 4945 1 1356 . 1 1 112 112 PRO HA H 1 4.42 0.03 . 1 . . . . . . . . 4945 1 1357 . 1 1 112 112 PRO HB2 H 1 1.96 0.03 . 1 . . . . . . . . 4945 1 1358 . 1 1 112 112 PRO HB3 H 1 2.27 0.03 . 1 . . . . . . . . 4945 1 1359 . 1 1 112 112 PRO HG2 H 1 1.99 0.03 . 1 . . . . . . . . 4945 1 1360 . 1 1 112 112 PRO HG3 H 1 1.99 0.03 . 1 . . . . . . . . 4945 1 1361 . 1 1 112 112 PRO HD2 H 1 3.75 0.03 . 1 . . . . . . . . 4945 1 1362 . 1 1 112 112 PRO HD3 H 1 3.81 0.03 . 1 . . . . . . . . 4945 1 1363 . 1 1 112 112 PRO C C 13 172.80 0.12 . 1 . . . . . . . . 4945 1 1364 . 1 1 112 112 PRO CA C 13 63.37 0.12 . 1 . . . . . . . . 4945 1 1365 . 1 1 112 112 PRO CB C 13 32.05 0.12 . 1 . . . . . . . . 4945 1 1366 . 1 1 112 112 PRO CG C 13 27.10 0.12 . 1 . . . . . . . . 4945 1 1367 . 1 1 112 112 PRO CD C 13 50.74 0.12 . 1 . . . . . . . . 4945 1 1368 . 1 1 113 113 GLY H H 1 8.40 0.03 . 1 . . . . . . . . 4945 1 1369 . 1 1 113 113 GLY HA2 H 1 3.97 0.03 . 1 . . . . . . . . 4945 1 1370 . 1 1 113 113 GLY HA3 H 1 3.97 0.03 . 1 . . . . . . . . 4945 1 1371 . 1 1 113 113 GLY C C 13 177.34 0.12 . 1 . . . . . . . . 4945 1 1372 . 1 1 113 113 GLY CA C 13 45.23 0.12 . 1 . . . . . . . . 4945 1 1373 . 1 1 113 113 GLY N N 15 108.70 0.15 . 1 . . . . . . . . 4945 1 1374 . 1 1 114 114 THR H H 1 7.98 0.03 . 1 . . . . . . . . 4945 1 1375 . 1 1 114 114 THR HA H 1 4.36 0.03 . 1 . . . . . . . . 4945 1 1376 . 1 1 114 114 THR HB H 1 4.23 0.03 . 1 . . . . . . . . 4945 1 1377 . 1 1 114 114 THR HG21 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 1378 . 1 1 114 114 THR HG22 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 1379 . 1 1 114 114 THR HG23 H 1 1.18 0.03 . 1 . . . . . . . . 4945 1 1380 . 1 1 114 114 THR C C 13 174.32 0.12 . 1 . . . . . . . . 4945 1 1381 . 1 1 114 114 THR CA C 13 61.79 0.12 . 1 . . . . . . . . 4945 1 1382 . 1 1 114 114 THR CB C 13 69.70 0.12 . 1 . . . . . . . . 4945 1 1383 . 1 1 114 114 THR CG2 C 13 21.50 0.12 . 1 . . . . . . . . 4945 1 1384 . 1 1 114 114 THR N N 15 113.12 0.15 . 1 . . . . . . . . 4945 1 1385 . 1 1 115 115 SER H H 1 8.33 0.03 . 1 . . . . . . . . 4945 1 1386 . 1 1 115 115 SER HA H 1 4.42 0.03 . 1 . . . . . . . . 4945 1 1387 . 1 1 115 115 SER HB2 H 1 3.86 0.03 . 1 . . . . . . . . 4945 1 1388 . 1 1 115 115 SER HB3 H 1 3.86 0.03 . 1 . . . . . . . . 4945 1 1389 . 1 1 115 115 SER C C 13 174.68 0.12 . 1 . . . . . . . . 4945 1 1390 . 1 1 115 115 SER CA C 13 58.35 0.12 . 1 . . . . . . . . 4945 1 1391 . 1 1 115 115 SER CB C 13 63.56 0.12 . 1 . . . . . . . . 4945 1 1392 . 1 1 115 115 SER N N 15 118.06 0.15 . 1 . . . . . . . . 4945 1 1393 . 1 1 116 116 LYS H H 1 8.36 0.03 . 1 . . . . . . . . 4945 1 1394 . 1 1 116 116 LYS HA H 1 4.29 0.03 . 1 . . . . . . . . 4945 1 1395 . 1 1 116 116 LYS HB2 H 1 1.71 0.03 . 1 . . . . . . . . 4945 1 1396 . 1 1 116 116 LYS HB3 H 1 1.82 0.03 . 1 . . . . . . . . 4945 1 1397 . 1 1 116 116 LYS HG2 H 1 1.39 0.03 . 1 . . . . . . . . 4945 1 1398 . 1 1 116 116 LYS HG3 H 1 1.39 0.03 . 1 . . . . . . . . 4945 1 1399 . 1 1 116 116 LYS HD2 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 1400 . 1 1 116 116 LYS HD3 H 1 1.66 0.03 . 1 . . . . . . . . 4945 1 1401 . 1 1 116 116 LYS HE2 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 1402 . 1 1 116 116 LYS HE3 H 1 2.96 0.03 . 1 . . . . . . . . 4945 1 1403 . 1 1 116 116 LYS C C 13 174.57 0.12 . 1 . . . . . . . . 4945 1 1404 . 1 1 116 116 LYS CA C 13 56.10 0.12 . 1 . . . . . . . . 4945 1 1405 . 1 1 116 116 LYS CB C 13 32.80 0.12 . 1 . . . . . . . . 4945 1 1406 . 1 1 116 116 LYS CG C 13 24.80 0.12 . 1 . . . . . . . . 4945 1 1407 . 1 1 116 116 LYS CD C 13 28.80 0.12 . 1 . . . . . . . . 4945 1 1408 . 1 1 116 116 LYS N N 15 123.25 0.15 . 1 . . . . . . . . 4945 1 1409 . 1 1 117 117 GLU H H 1 8.29 0.03 . 1 . . . . . . . . 4945 1 1410 . 1 1 117 117 GLU HA H 1 4.21 0.03 . 1 . . . . . . . . 4945 1 1411 . 1 1 117 117 GLU HB2 H 1 1.91 0.03 . 1 . . . . . . . . 4945 1 1412 . 1 1 117 117 GLU HB3 H 1 1.98 0.03 . 1 . . . . . . . . 4945 1 1413 . 1 1 117 117 GLU HG2 H 1 2.21 0.03 . 1 . . . . . . . . 4945 1 1414 . 1 1 117 117 GLU HG3 H 1 2.21 0.03 . 1 . . . . . . . . 4945 1 1415 . 1 1 117 117 GLU C C 13 176.39 0.12 . 1 . . . . . . . . 4945 1 1416 . 1 1 117 117 GLU CA C 13 56.48 0.12 . 1 . . . . . . . . 4945 1 1417 . 1 1 117 117 GLU CB C 13 29.90 0.12 . 1 . . . . . . . . 4945 1 1418 . 1 1 117 117 GLU CG C 13 36.20 0.12 . 1 . . . . . . . . 4945 1 1419 . 1 1 117 117 GLU N N 15 121.30 0.15 . 1 . . . . . . . . 4945 1 1420 . 1 1 118 118 ARG H H 1 8.29 0.03 . 1 . . . . . . . . 4945 1 1421 . 1 1 118 118 ARG HA H 1 4.29 0.03 . 1 . . . . . . . . 4945 1 1422 . 1 1 118 118 ARG HB2 H 1 1.74 0.03 . 1 . . . . . . . . 4945 1 1423 . 1 1 118 118 ARG HB3 H 1 1.84 0.03 . 1 . . . . . . . . 4945 1 1424 . 1 1 118 118 ARG HG2 H 1 1.56 0.03 . 1 . . . . . . . . 4945 1 1425 . 1 1 118 118 ARG HG3 H 1 1.62 0.03 . 1 . . . . . . . . 4945 1 1426 . 1 1 118 118 ARG HD2 H 1 3.17 0.03 . 1 . . . . . . . . 4945 1 1427 . 1 1 118 118 ARG HD3 H 1 3.17 0.03 . 1 . . . . . . . . 4945 1 1428 . 1 1 118 118 ARG C C 13 176.19 0.12 . 1 . . . . . . . . 4945 1 1429 . 1 1 118 118 ARG CA C 13 55.90 0.12 . 1 . . . . . . . . 4945 1 1430 . 1 1 118 118 ARG CB C 13 30.70 0.12 . 1 . . . . . . . . 4945 1 1431 . 1 1 118 118 ARG CG C 13 26.90 0.12 . 1 . . . . . . . . 4945 1 1432 . 1 1 118 118 ARG CD C 13 43.10 0.12 . 1 . . . . . . . . 4945 1 1433 . 1 1 118 118 ARG N N 15 122.40 0.15 . 1 . . . . . . . . 4945 1 1434 . 1 1 119 119 LYS H H 1 8.36 0.03 . 1 . . . . . . . . 4945 1 1435 . 1 1 119 119 LYS HA H 1 4.30 0.03 . 1 . . . . . . . . 4945 1 1436 . 1 1 119 119 LYS HB2 H 1 1.72 0.03 . 1 . . . . . . . . 4945 1 1437 . 1 1 119 119 LYS HB3 H 1 1.80 0.03 . 1 . . . . . . . . 4945 1 1438 . 1 1 119 119 LYS HG2 H 1 1.38 0.03 . 1 . . . . . . . . 4945 1 1439 . 1 1 119 119 LYS HG3 H 1 1.38 0.03 . 1 . . . . . . . . 4945 1 1440 . 1 1 119 119 LYS HD2 H 1 1.65 0.03 . 1 . . . . . . . . 4945 1 1441 . 1 1 119 119 LYS HD3 H 1 1.65 0.03 . 1 . . . . . . . . 4945 1 1442 . 1 1 119 119 LYS HE2 H 1 2.95 0.03 . 1 . . . . . . . . 4945 1 1443 . 1 1 119 119 LYS HE3 H 1 2.95 0.03 . 1 . . . . . . . . 4945 1 1444 . 1 1 119 119 LYS C C 13 176.03 0.12 . 1 . . . . . . . . 4945 1 1445 . 1 1 119 119 LYS CA C 13 56.10 0.12 . 1 . . . . . . . . 4945 1 1446 . 1 1 119 119 LYS CB C 13 32.98 0.12 . 1 . . . . . . . . 4945 1 1447 . 1 1 119 119 LYS CG C 13 24.50 0.12 . 1 . . . . . . . . 4945 1 1448 . 1 1 119 119 LYS CD C 13 28.90 0.12 . 1 . . . . . . . . 4945 1 1449 . 1 1 119 119 LYS N N 15 122.38 0.15 . 1 . . . . . . . . 4945 1 1450 . 1 1 120 120 ASP H H 1 8.40 0.03 . 1 . . . . . . . . 4945 1 1451 . 1 1 120 120 ASP HA H 1 4.55 0.03 . 1 . . . . . . . . 4945 1 1452 . 1 1 120 120 ASP HB2 H 1 2.56 0.03 . 1 . . . . . . . . 4945 1 1453 . 1 1 120 120 ASP HB3 H 1 2.65 0.03 . 1 . . . . . . . . 4945 1 1454 . 1 1 120 120 ASP C C 13 175.88 0.12 . 1 . . . . . . . . 4945 1 1455 . 1 1 120 120 ASP CA C 13 54.05 0.12 . 1 . . . . . . . . 4945 1 1456 . 1 1 120 120 ASP CB C 13 40.84 0.12 . 1 . . . . . . . . 4945 1 1457 . 1 1 120 120 ASP N N 15 120.68 0.15 . 1 . . . . . . . . 4945 1 1458 . 1 1 121 121 ILE H H 1 7.83 0.03 . 1 . . . . . . . . 4945 1 1459 . 1 1 121 121 ILE HA H 1 4.09 0.03 . 1 . . . . . . . . 4945 1 1460 . 1 1 121 121 ILE HB H 1 1.77 0.03 . 1 . . . . . . . . 4945 1 1461 . 1 1 121 121 ILE HG12 H 1 0.78 0.03 . 1 . . . . . . . . 4945 1 1462 . 1 1 121 121 ILE HG13 H 1 1.31 0.03 . 1 . . . . . . . . 4945 1 1463 . 1 1 121 121 ILE HG21 H 1 1.07 0.03 . 1 . . . . . . . . 4945 1 1464 . 1 1 121 121 ILE HG22 H 1 1.07 0.03 . 1 . . . . . . . . 4945 1 1465 . 1 1 121 121 ILE HG23 H 1 1.07 0.03 . 1 . . . . . . . . 4945 1 1466 . 1 1 121 121 ILE HD11 H 1 0.77 0.03 . 1 . . . . . . . . 4945 1 1467 . 1 1 121 121 ILE HD12 H 1 0.77 0.03 . 1 . . . . . . . . 4945 1 1468 . 1 1 121 121 ILE HD13 H 1 0.77 0.03 . 1 . . . . . . . . 4945 1 1469 . 1 1 121 121 ILE C C 13 175.53 0.12 . 1 . . . . . . . . 4945 1 1470 . 1 1 121 121 ILE CA C 13 60.60 0.12 . 1 . . . . . . . . 4945 1 1471 . 1 1 121 121 ILE CB C 13 38.50 0.12 . 1 . . . . . . . . 4945 1 1472 . 1 1 121 121 ILE CG1 C 13 26.90 0.12 . 1 . . . . . . . . 4945 1 1473 . 1 1 121 121 ILE CG2 C 13 17.30 0.12 . 1 . . . . . . . . 4945 1 1474 . 1 1 121 121 ILE CD1 C 13 12.80 0.12 . 1 . . . . . . . . 4945 1 1475 . 1 1 121 121 ILE N N 15 119.91 0.15 . 1 . . . . . . . . 4945 1 1476 . 1 1 122 122 HIS H H 1 8.29 0.03 . 1 . . . . . . . . 4945 1 1477 . 1 1 122 122 HIS HA H 1 4.92 0.03 . 1 . . . . . . . . 4945 1 1478 . 1 1 122 122 HIS HB2 H 1 3.16 0.03 . 1 . . . . . . . . 4945 1 1479 . 1 1 122 122 HIS HB3 H 1 3.16 0.03 . 1 . . . . . . . . 4945 1 1480 . 1 1 122 122 HIS HD2 H 1 7.21 0.03 . 1 . . . . . . . . 4945 1 1481 . 1 1 122 122 HIS HE1 H 1 8.38 0.03 . 1 . . . . . . . . 4945 1 1482 . 1 1 122 122 HIS C C 13 175.33 0.12 . 1 . . . . . . . . 4945 1 1483 . 1 1 122 122 HIS CA C 13 53.10 0.12 . 1 . . . . . . . . 4945 1 1484 . 1 1 122 122 HIS CB C 13 28.90 0.12 . 1 . . . . . . . . 4945 1 1485 . 1 1 122 122 HIS N N 15 123.46 0.15 . 1 . . . . . . . . 4945 1 1486 . 1 1 123 123 PRO HA H 1 4.28 0.03 . 1 . . . . . . . . 4945 1 1487 . 1 1 123 123 PRO HB2 H 1 1.91 0.03 . 1 . . . . . . . . 4945 1 1488 . 1 1 123 123 PRO HB3 H 1 2.23 0.03 . 1 . . . . . . . . 4945 1 1489 . 1 1 123 123 PRO HG2 H 1 1.93 0.03 . 1 . . . . . . . . 4945 1 1490 . 1 1 123 123 PRO HG3 H 1 1.93 0.03 . 1 . . . . . . . . 4945 1 1491 . 1 1 123 123 PRO HD2 H 1 3.48 0.03 . 1 . . . . . . . . 4945 1 1492 . 1 1 123 123 PRO HD3 H 1 3.69 0.03 . 1 . . . . . . . . 4945 1 1493 . 1 1 123 123 PRO C C 13 173.80 0.12 . 1 . . . . . . . . 4945 1 1494 . 1 1 123 123 PRO CA C 13 64.50 0.12 . 1 . . . . . . . . 4945 1 1495 . 1 1 123 123 PRO CB C 13 31.80 0.12 . 1 . . . . . . . . 4945 1 1496 . 1 1 123 123 PRO CG C 13 27.10 0.12 . 1 . . . . . . . . 4945 1 1497 . 1 1 123 123 PRO CD C 13 50.40 0.12 . 1 . . . . . . . . 4945 1 stop_ save_