data_17616 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17616 _Entry.Title ; Backbone Resonance assignment of 1H, 13C, 15N for P2 of plasmodium falciparum in 9M urea. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-05-02 _Entry.Accession_date 2011-05-02 _Entry.Last_release_date 2012-05-09 _Entry.Original_release_date 2012-05-09 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details 'participating in translation mechanism' _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 Pushpa Mishra . . . 17616 stop_ loop_ _Entry_src.ID _Entry_src.Project_name _Entry_src.Organization_full_name _Entry_src.Organization_initials _Entry_src.Entry_ID 1 . 'Hosur group, TIFR' . 17616 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17616 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 342 17616 '15N chemical shifts' 124 17616 '1H chemical shifts' 546 17616 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 . . 2012-05-09 2011-05-02 original author . 17616 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17616 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22567147 _Citation.Full_citation . _Citation.Title 'NMR Insights into Folding and Self-Association of Plasmodium falciparum P2.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'PLoS ONE' _Citation.Journal_name_full 'PloS one' _Citation.Journal_volume 7 _Citation.Journal_issue 5 _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 . _Citation.Page_last . _Citation.Year 2012 _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 Pushpa Mishra . . . 17616 1 2 Sudipta Das . . . 17616 1 3 Lata Panicker . . . 17616 1 4 Madhusoodan Hosur . V. . 17616 1 5 Shobhona Sharma . . . 17616 1 6 Ramakrishna Hosur . V. . 17616 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17616 _Assembly.ID 1 _Assembly.Name 'plasmodium falciparum ribosomal lateral stalk' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _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 . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . 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 P2 1 $plasmodium_falciparum_p2 A . yes 'intrinsically disordered' no no . . . 17616 1 stop_ loop_ _Assembly_bio_function.Biological_function _Assembly_bio_function.Entry_ID _Assembly_bio_function.Assembly_ID 'Act as GTPase function' 17616 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_plasmodium_falciparum_p2 _Entity.Sf_category entity _Entity.Sf_framecode plasmodium_falciparum_p2 _Entity.Entry_ID 17616 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name plasmodium_falciparum_p2 _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 ; MSYYHHHHHHDYDIPTTENL YFQGAMDPEFMAMKYVAAYL MCVLGGNENPSTKEVKNVLG AVNADVEDEVLNNFIDSLKG KSCHELITDGLKKLQNIGGG VAAAPAGAAAVETAEAKKED KKEEKKEEEEEEEDDLGFSL FG ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details 'Residues 1-30 represent sequence coming from vector. 31 onwards P2 protein sequence starts.' _Entity.Ambiguous_conformational_states no _Entity.Ambiguous_chem_comp_sites no _Entity.Nstd_monomer no _Entity.Nstd_chirality no _Entity.Nstd_linkage no _Entity.Nonpolymer_comp_ID . _Entity.Nonpolymer_comp_label . _Entity.Number_of_monomers 142 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment 'Ribosomal lateral stalk protein' _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 15664.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 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 EMBL CAB11115 . "60S Acidic ribosomal protein P2, putative [Plasmodium falciparum 3D7]" . . . . . 78.87 112 100.00 100.00 1.17e-70 . . . . 17616 1 2 no EMBL CDO62522 . "60S acidic ribosomal protein P2, putative [Plasmodium reichenowi]" . . . . . 78.87 112 99.11 99.11 4.78e-70 . . . . 17616 1 3 no GB AAB51131 . "ribosomal P2 phosphoprotein [Plasmodium falciparum]" . . . . . 78.87 112 100.00 100.00 1.17e-70 . . . . 17616 1 4 no GB AAF15361 . "ribosomal P2 phosphoprotein [Plasmodium falciparum]" . . . . . 78.87 112 100.00 100.00 1.17e-70 . . . . 17616 1 5 no GB ETW20710 . "60S acidic ribosomal protein P2 [Plasmodium falciparum Vietnam Oak-Knoll (FVO)]" . . . . . 78.87 112 100.00 100.00 1.17e-70 . . . . 17616 1 6 no GB ETW38756 . "60S acidic ribosomal protein P2 [Plasmodium falciparum Tanzania (2000708)]" . . . . . 78.87 112 100.00 100.00 1.17e-70 . . . . 17616 1 7 no GB ETW45178 . "60S acidic ribosomal protein P2 [Plasmodium falciparum NF135/5.C10]" . . . . . 78.87 112 100.00 100.00 1.17e-70 . . . . 17616 1 8 no REF XP_001351169 . "60S Acidic ribosomal protein P2, putative [Plasmodium falciparum 3D7]" . . . . . 78.87 112 100.00 100.00 1.17e-70 . . . . 17616 1 9 no REF XP_012761169 . "60S acidic ribosomal protein P2, putative [Plasmodium reichenowi]" . . . . . 78.87 112 99.11 99.11 4.78e-70 . . . . 17616 1 10 no SP O00806 . "RecName: Full=60S acidic ribosomal protein P2" . . . . . 78.87 112 100.00 100.00 1.17e-70 . . . . 17616 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID 'Ribosomal stalk protein involved in binding of elongation factors during the course of protein synthesis.' 17616 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17616 1 2 . SER . 17616 1 3 . TYR . 17616 1 4 . TYR . 17616 1 5 . HIS . 17616 1 6 . HIS . 17616 1 7 . HIS . 17616 1 8 . HIS . 17616 1 9 . HIS . 17616 1 10 . HIS . 17616 1 11 . ASP . 17616 1 12 . TYR . 17616 1 13 . ASP . 17616 1 14 . ILE . 17616 1 15 . PRO . 17616 1 16 . THR . 17616 1 17 . THR . 17616 1 18 . GLU . 17616 1 19 . ASN . 17616 1 20 . LEU . 17616 1 21 . TYR . 17616 1 22 . PHE . 17616 1 23 . GLN . 17616 1 24 . GLY . 17616 1 25 . ALA . 17616 1 26 . MET . 17616 1 27 . ASP . 17616 1 28 . PRO . 17616 1 29 . GLU . 17616 1 30 . PHE . 17616 1 31 . MET . 17616 1 32 . ALA . 17616 1 33 . MET . 17616 1 34 . LYS . 17616 1 35 . TYR . 17616 1 36 . VAL . 17616 1 37 . ALA . 17616 1 38 . ALA . 17616 1 39 . TYR . 17616 1 40 . LEU . 17616 1 41 . MET . 17616 1 42 . CYS . 17616 1 43 . VAL . 17616 1 44 . LEU . 17616 1 45 . GLY . 17616 1 46 . GLY . 17616 1 47 . ASN . 17616 1 48 . GLU . 17616 1 49 . ASN . 17616 1 50 . PRO . 17616 1 51 . SER . 17616 1 52 . THR . 17616 1 53 . LYS . 17616 1 54 . GLU . 17616 1 55 . VAL . 17616 1 56 . LYS . 17616 1 57 . ASN . 17616 1 58 . VAL . 17616 1 59 . LEU . 17616 1 60 . GLY . 17616 1 61 . ALA . 17616 1 62 . VAL . 17616 1 63 . ASN . 17616 1 64 . ALA . 17616 1 65 . ASP . 17616 1 66 . VAL . 17616 1 67 . GLU . 17616 1 68 . ASP . 17616 1 69 . GLU . 17616 1 70 . VAL . 17616 1 71 . LEU . 17616 1 72 . ASN . 17616 1 73 . ASN . 17616 1 74 . PHE . 17616 1 75 . ILE . 17616 1 76 . ASP . 17616 1 77 . SER . 17616 1 78 . LEU . 17616 1 79 . LYS . 17616 1 80 . GLY . 17616 1 81 . LYS . 17616 1 82 . SER . 17616 1 83 . CYS . 17616 1 84 . HIS . 17616 1 85 . GLU . 17616 1 86 . LEU . 17616 1 87 . ILE . 17616 1 88 . THR . 17616 1 89 . ASP . 17616 1 90 . GLY . 17616 1 91 . LEU . 17616 1 92 . LYS . 17616 1 93 . LYS . 17616 1 94 . LEU . 17616 1 95 . GLN . 17616 1 96 . ASN . 17616 1 97 . ILE . 17616 1 98 . GLY . 17616 1 99 . GLY . 17616 1 100 . GLY . 17616 1 101 . VAL . 17616 1 102 . ALA . 17616 1 103 . ALA . 17616 1 104 . ALA . 17616 1 105 . PRO . 17616 1 106 . ALA . 17616 1 107 . GLY . 17616 1 108 . ALA . 17616 1 109 . ALA . 17616 1 110 . ALA . 17616 1 111 . VAL . 17616 1 112 . GLU . 17616 1 113 . THR . 17616 1 114 . ALA . 17616 1 115 . GLU . 17616 1 116 . ALA . 17616 1 117 . LYS . 17616 1 118 . LYS . 17616 1 119 . GLU . 17616 1 120 . ASP . 17616 1 121 . LYS . 17616 1 122 . LYS . 17616 1 123 . GLU . 17616 1 124 . GLU . 17616 1 125 . LYS . 17616 1 126 . LYS . 17616 1 127 . GLU . 17616 1 128 . GLU . 17616 1 129 . GLU . 17616 1 130 . GLU . 17616 1 131 . GLU . 17616 1 132 . GLU . 17616 1 133 . GLU . 17616 1 134 . ASP . 17616 1 135 . ASP . 17616 1 136 . LEU . 17616 1 137 . GLY . 17616 1 138 . PHE . 17616 1 139 . SER . 17616 1 140 . LEU . 17616 1 141 . PHE . 17616 1 142 . GLY . 17616 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17616 1 . SER 2 2 17616 1 . TYR 3 3 17616 1 . TYR 4 4 17616 1 . HIS 5 5 17616 1 . HIS 6 6 17616 1 . HIS 7 7 17616 1 . HIS 8 8 17616 1 . HIS 9 9 17616 1 . HIS 10 10 17616 1 . ASP 11 11 17616 1 . TYR 12 12 17616 1 . ASP 13 13 17616 1 . ILE 14 14 17616 1 . PRO 15 15 17616 1 . THR 16 16 17616 1 . THR 17 17 17616 1 . GLU 18 18 17616 1 . ASN 19 19 17616 1 . LEU 20 20 17616 1 . TYR 21 21 17616 1 . PHE 22 22 17616 1 . GLN 23 23 17616 1 . GLY 24 24 17616 1 . ALA 25 25 17616 1 . MET 26 26 17616 1 . ASP 27 27 17616 1 . PRO 28 28 17616 1 . GLU 29 29 17616 1 . PHE 30 30 17616 1 . MET 31 31 17616 1 . ALA 32 32 17616 1 . MET 33 33 17616 1 . LYS 34 34 17616 1 . TYR 35 35 17616 1 . VAL 36 36 17616 1 . ALA 37 37 17616 1 . ALA 38 38 17616 1 . TYR 39 39 17616 1 . LEU 40 40 17616 1 . MET 41 41 17616 1 . CYS 42 42 17616 1 . VAL 43 43 17616 1 . LEU 44 44 17616 1 . GLY 45 45 17616 1 . GLY 46 46 17616 1 . ASN 47 47 17616 1 . GLU 48 48 17616 1 . ASN 49 49 17616 1 . PRO 50 50 17616 1 . SER 51 51 17616 1 . THR 52 52 17616 1 . LYS 53 53 17616 1 . GLU 54 54 17616 1 . VAL 55 55 17616 1 . LYS 56 56 17616 1 . ASN 57 57 17616 1 . VAL 58 58 17616 1 . LEU 59 59 17616 1 . GLY 60 60 17616 1 . ALA 61 61 17616 1 . VAL 62 62 17616 1 . ASN 63 63 17616 1 . ALA 64 64 17616 1 . ASP 65 65 17616 1 . VAL 66 66 17616 1 . GLU 67 67 17616 1 . ASP 68 68 17616 1 . GLU 69 69 17616 1 . VAL 70 70 17616 1 . LEU 71 71 17616 1 . ASN 72 72 17616 1 . ASN 73 73 17616 1 . PHE 74 74 17616 1 . ILE 75 75 17616 1 . ASP 76 76 17616 1 . SER 77 77 17616 1 . LEU 78 78 17616 1 . LYS 79 79 17616 1 . GLY 80 80 17616 1 . LYS 81 81 17616 1 . SER 82 82 17616 1 . CYS 83 83 17616 1 . HIS 84 84 17616 1 . GLU 85 85 17616 1 . LEU 86 86 17616 1 . ILE 87 87 17616 1 . THR 88 88 17616 1 . ASP 89 89 17616 1 . GLY 90 90 17616 1 . LEU 91 91 17616 1 . LYS 92 92 17616 1 . LYS 93 93 17616 1 . LEU 94 94 17616 1 . GLN 95 95 17616 1 . ASN 96 96 17616 1 . ILE 97 97 17616 1 . GLY 98 98 17616 1 . GLY 99 99 17616 1 . GLY 100 100 17616 1 . VAL 101 101 17616 1 . ALA 102 102 17616 1 . ALA 103 103 17616 1 . ALA 104 104 17616 1 . PRO 105 105 17616 1 . ALA 106 106 17616 1 . GLY 107 107 17616 1 . ALA 108 108 17616 1 . ALA 109 109 17616 1 . ALA 110 110 17616 1 . VAL 111 111 17616 1 . GLU 112 112 17616 1 . THR 113 113 17616 1 . ALA 114 114 17616 1 . GLU 115 115 17616 1 . ALA 116 116 17616 1 . LYS 117 117 17616 1 . LYS 118 118 17616 1 . GLU 119 119 17616 1 . ASP 120 120 17616 1 . LYS 121 121 17616 1 . LYS 122 122 17616 1 . GLU 123 123 17616 1 . GLU 124 124 17616 1 . LYS 125 125 17616 1 . LYS 126 126 17616 1 . GLU 127 127 17616 1 . GLU 128 128 17616 1 . GLU 129 129 17616 1 . GLU 130 130 17616 1 . GLU 131 131 17616 1 . GLU 132 132 17616 1 . GLU 133 133 17616 1 . ASP 134 134 17616 1 . ASP 135 135 17616 1 . LEU 136 136 17616 1 . GLY 137 137 17616 1 . PHE 138 138 17616 1 . SER 139 139 17616 1 . LEU 140 140 17616 1 . PHE 141 141 17616 1 . GLY 142 142 17616 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 17616 _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 $plasmodium_falciparum_p2 . 5833 organism . 'Plasmodium Falciparum' 'Malaria Parasite' . . Eukaryota . Plasmodium Falciparum . . . . . . . . . . . . . . . . . . . . . 17616 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 17616 _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 $plasmodium_falciparum_p2 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pPRO EXHTA' . . . . . . 17616 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17616 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details ; 9M urea in 0.1 M MES buffer containing 150mM NaCl, 5mM DTT ; _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'plasmodium falciparum p2' '[U-99% 15N]' . . 1 $plasmodium_falciparum_p2 . . 1 . . mM . . . . 17616 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17616 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17616 1 4 Urea 'natural abundance' . . . . . . 9 . . M . . . . 17616 1 5 'MES Buffer' 'natural abundance' . . . . . . 0.1 . . M . . . . 17616 1 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 17616 1 7 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17616 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 17616 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'same as sample 1' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _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 'plasmodium falciparum p2' '[U-99% 13C; U-99% 15N]' . . 1 $plasmodium_falciparum_p2 . . 1 . . mM . . . . 17616 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17616 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17616 2 4 Urea 'natural abundance' . . . . . . 9 . . M . . . . 17616 2 5 'MES Buffer' 'natural abundance' . . . . . . 0.1 . . M . . . . 17616 2 6 NaCl 'natural abundance' . . . . . . 150 . . mM . . . . 17616 2 7 DTT 'natural abundance' . . . . . . 5 . . mM . . . . 17616 2 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17616 _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 5.6 . pH 17616 1 pressure 1 . atm 17616 1 temperature 300 . K 17616 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17616 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17616 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17616 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17616 _Software.ID 2 _Software.Name CARA _Software.Version 1.9.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17616 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17616 2 'data analysis' 17616 2 'peak picking' 17616 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17616 _Software.ID 3 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17616 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17616 3 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17616 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17616 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17616 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 17616 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 3 '3D HNCACB' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 4 '3D HNCA' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 5 '3D HNCO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 6 '3D HN(CA)CO' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 7 '3D HNN' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 8 '3D HN(C)N' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 9 '3D HNCAN' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 10 '3D HSQC-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17616 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17616 _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 C 13 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.251449530 . . . . . . . . . 17616 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17616 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 . indirect 0.101329118 . . . . . . . . . 17616 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_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17616 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _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 '2D 1H-15N HSQC' . . . 17616 1 2 '3D CBCA(CO)NH' . . . 17616 1 3 '3D HNCACB' . . . 17616 1 4 '3D HNCA' . . . 17616 1 5 '3D HNCO' . . . 17616 1 6 '3D HN(CA)CO' . . . 17616 1 7 '3D HNN' . . . 17616 1 8 '3D HN(C)N' . . . 17616 1 9 '3D HNCAN' . . . 17616 1 10 '3D HSQC-TOCSY' . . . 17616 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.706 0.02 . 1 . . . . 2 SER H . 17616 1 2 . 1 1 2 2 SER HA H 1 4.554 0.02 . 1 . . . . 2 SER HA . 17616 1 3 . 1 1 2 2 SER HB2 H 1 3.981 0.02 . 1 . . . . 2 SER HB2 . 17616 1 4 . 1 1 2 2 SER HB3 H 1 3.981 0.02 . 1 . . . . 2 SER HB3 . 17616 1 5 . 1 1 2 2 SER C C 13 175.313 0.3 . 1 . . . . 2 SER C . 17616 1 6 . 1 1 2 2 SER CA C 13 58.377 0.3 . 1 . . . . 2 SER CA . 17616 1 7 . 1 1 2 2 SER CB C 13 63.818 0.3 . 1 . . . . 2 SER CB . 17616 1 8 . 1 1 2 2 SER N N 15 115.425 0.3 . 1 . . . . 2 SER N . 17616 1 9 . 1 1 3 3 TYR H H 1 8.421 0.02 . 1 . . . . 3 TYR H . 17616 1 10 . 1 1 3 3 TYR HA H 1 4.43 0.02 . 1 . . . . 3 TYR HA . 17616 1 11 . 1 1 3 3 TYR C C 13 174.463 0.3 . 1 . . . . 3 TYR C . 17616 1 12 . 1 1 3 3 TYR CA C 13 61.436 0.3 . 1 . . . . 3 TYR CA . 17616 1 13 . 1 1 3 3 TYR CB C 13 46.003 0.3 . 1 . . . . 3 TYR CB . 17616 1 14 . 1 1 3 3 TYR N N 15 116.14 0.3 . 1 . . . . 3 TYR N . 17616 1 15 . 1 1 10 10 HIS H H 1 8.785 0.02 . 1 . . . . 10 HIS H . 17616 1 16 . 1 1 10 10 HIS HA H 1 4.702 0.02 . 1 . . . . 10 HIS HA . 17616 1 17 . 1 1 10 10 HIS C C 13 173.923 0.3 . 1 . . . . 10 HIS C . 17616 1 18 . 1 1 10 10 HIS CA C 13 55.156 0.3 . 1 . . . . 10 HIS CA . 17616 1 19 . 1 1 10 10 HIS CB C 13 29.208 0.3 . 1 . . . . 10 HIS CB . 17616 1 20 . 1 1 10 10 HIS N N 15 121.049 0.3 . 1 . . . . 10 HIS N . 17616 1 21 . 1 1 11 11 ASP H H 1 8.662 0.02 . 1 . . . . 11 ASP H . 17616 1 22 . 1 1 11 11 ASP HA H 1 4.626 0.02 . 1 . . . . 11 ASP HA . 17616 1 23 . 1 1 11 11 ASP HB2 H 1 2.684 0.02 . 1 . . . . 11 ASP HB2 . 17616 1 24 . 1 1 11 11 ASP C C 13 175.684 0.3 . 1 . . . . 11 ASP C . 17616 1 25 . 1 1 11 11 ASP CA C 13 54.414 0.3 . 1 . . . . 11 ASP CA . 17616 1 26 . 1 1 11 11 ASP CB C 13 40.839 0.3 . 1 . . . . 11 ASP CB . 17616 1 27 . 1 1 11 11 ASP N N 15 122.745 0.3 . 1 . . . . 11 ASP N . 17616 1 28 . 1 1 12 12 TYR H H 1 8.183 0.02 . 1 . . . . 12 TYR H . 17616 1 29 . 1 1 12 12 TYR HA H 1 4.613 0.02 . 1 . . . . 12 TYR HA . 17616 1 30 . 1 1 12 12 TYR HB2 H 1 2.963 0.02 . 1 . . . . 12 TYR HB2 . 17616 1 31 . 1 1 12 12 TYR HB3 H 1 2.963 0.02 . 1 . . . . 12 TYR HB3 . 17616 1 32 . 1 1 12 12 TYR C C 13 175.268 0.3 . 1 . . . . 12 TYR C . 17616 1 33 . 1 1 12 12 TYR CA C 13 57.617 0.3 . 1 . . . . 12 TYR CA . 17616 1 34 . 1 1 12 12 TYR CB C 13 38.444 0.3 . 1 . . . . 12 TYR CB . 17616 1 35 . 1 1 12 12 TYR N N 15 119.119 0.3 . 1 . . . . 12 TYR N . 17616 1 36 . 1 1 13 13 ASP H H 1 8.41 0.02 . 1 . . . . 13 ASP H . 17616 1 37 . 1 1 13 13 ASP HA H 1 4.676 0.02 . 1 . . . . 13 ASP HA . 17616 1 38 . 1 1 13 13 ASP HB2 H 1 2.684 0.02 . 1 . . . . 13 ASP HB2 . 17616 1 39 . 1 1 13 13 ASP CA C 13 54.259 0.3 . 1 . . . . 13 ASP CA . 17616 1 40 . 1 1 13 13 ASP CB C 13 40.854 0.3 . 1 . . . . 13 ASP CB . 17616 1 41 . 1 1 13 13 ASP N N 15 121.57 0.3 . 1 . . . . 13 ASP N . 17616 1 42 . 1 1 16 16 THR H H 1 8.359 0.02 . 1 . . . . 16 THR H . 17616 1 43 . 1 1 16 16 THR HA H 1 4.468 0.02 . 1 . . . . 16 THR HA . 17616 1 44 . 1 1 16 16 THR HB H 1 4.3 0.02 . 1 . . . . 16 THR HB . 17616 1 45 . 1 1 16 16 THR HG21 H 1 1.283 0.02 . 1 . . . . 16 THR HG1 . 17616 1 46 . 1 1 16 16 THR HG22 H 1 1.283 0.02 . 1 . . . . 16 THR HG1 . 17616 1 47 . 1 1 16 16 THR HG23 H 1 1.283 0.02 . 1 . . . . 16 THR HG1 . 17616 1 48 . 1 1 16 16 THR C C 13 174.86 0.3 . 1 . . . . 16 THR C . 17616 1 49 . 1 1 16 16 THR CA C 13 61.492 0.3 . 1 . . . . 16 THR CA . 17616 1 50 . 1 1 16 16 THR CB C 13 69.532 0.3 . 1 . . . . 16 THR CB . 17616 1 51 . 1 1 16 16 THR N N 15 114.396 0.3 . 1 . . . . 16 THR N . 17616 1 52 . 1 1 17 17 THR H H 1 8.172 0.02 . 1 . . . . 17 THR H . 17616 1 53 . 1 1 17 17 THR HA H 1 4.39 0.02 . 1 . . . . 17 THR HA . 17616 1 54 . 1 1 17 17 THR HG21 H 1 1.244 0.02 . 1 . . . . 17 THR HG1 . 17616 1 55 . 1 1 17 17 THR HG22 H 1 1.244 0.02 . 1 . . . . 17 THR HG1 . 17616 1 56 . 1 1 17 17 THR HG23 H 1 1.244 0.02 . 1 . . . . 17 THR HG1 . 17616 1 57 . 1 1 17 17 THR C C 13 174.601 0.3 . 1 . . . . 17 THR C . 17616 1 58 . 1 1 17 17 THR CA C 13 61.576 0.3 . 1 . . . . 17 THR CA . 17616 1 59 . 1 1 17 17 THR CB C 13 69.405 0.3 . 1 . . . . 17 THR CB . 17616 1 60 . 1 1 17 17 THR N N 15 114.944 0.3 . 1 . . . . 17 THR N . 17616 1 61 . 1 1 18 18 GLU H H 1 8.445 0.02 . 1 . . . . 18 GLU H . 17616 1 62 . 1 1 18 18 GLU HA H 1 4.334 0.02 . 1 . . . . 18 GLU HA . 17616 1 63 . 1 1 18 18 GLU HB2 H 1 2.29 0.02 . 1 . . . . 18 GLU HB2 . 17616 1 64 . 1 1 18 18 GLU HB3 H 1 2.29 0.02 . 2 . . . . 18 GLU HB3 . 17616 1 65 . 1 1 18 18 GLU C C 13 175.82 0.3 . 1 . . . . 18 GLU C . 17616 1 66 . 1 1 18 18 GLU CA C 13 56.123 0.3 . 1 . . . . 18 GLU CA . 17616 1 67 . 1 1 18 18 GLU CB C 13 30.018 0.3 . 1 . . . . 18 GLU CB . 17616 1 68 . 1 1 18 18 GLU N N 15 122.714 0.3 . 1 . . . . 18 GLU N . 17616 1 69 . 1 1 19 19 ASN H H 1 8.515 0.02 . 1 . . . . 19 ASN H . 17616 1 70 . 1 1 19 19 ASN HA H 1 4.712 0.02 . 1 . . . . 19 ASN HA . 17616 1 71 . 1 1 19 19 ASN HB2 H 1 2.777 0.02 . 1 . . . . 19 ASN HB2 . 17616 1 72 . 1 1 19 19 ASN C C 13 174.941 0.3 . 1 . . . . 19 ASN C . 17616 1 73 . 1 1 19 19 ASN CA C 13 53.183 0.3 . 1 . . . . 19 ASN CA . 17616 1 74 . 1 1 19 19 ASN CB C 13 38.487 0.3 . 1 . . . . 19 ASN CB . 17616 1 75 . 1 1 19 19 ASN N N 15 119.907 0.3 . 1 . . . . 19 ASN N . 17616 1 76 . 1 1 20 20 LEU H H 1 8.222 0.02 . 1 . . . . 20 LEU H . 17616 1 77 . 1 1 20 20 LEU HA H 1 4.258 0.02 . 1 . . . . 20 LEU HA . 17616 1 78 . 1 1 20 20 LEU HB2 H 1 1.516 0.02 . 1 . . . . 20 LEU HB2 . 17616 1 79 . 1 1 20 20 LEU HB3 H 1 1.516 0.02 . 1 . . . . 20 LEU HB3 . 17616 1 80 . 1 1 20 20 LEU C C 13 176.713 0.3 . 1 . . . . 20 LEU C . 17616 1 81 . 1 1 20 20 LEU CA C 13 55.075 0.3 . 1 . . . . 20 LEU CA . 17616 1 82 . 1 1 20 20 LEU CB C 13 42.184 0.3 . 1 . . . . 20 LEU CB . 17616 1 83 . 1 1 20 20 LEU N N 15 122.736 0.3 . 1 . . . . 20 LEU N . 17616 1 84 . 1 1 21 21 TYR H H 1 8.215 0.02 . 1 . . . . 21 TYR H . 17616 1 85 . 1 1 21 21 TYR HA H 1 4.56 0.02 . 1 . . . . 21 TYR HA . 17616 1 86 . 1 1 21 21 TYR HB2 H 1 3 0.02 . 1 . . . . 21 TYR HB2 . 17616 1 87 . 1 1 21 21 TYR HB3 H 1 3 0.02 . 2 . . . . 21 TYR HB3 . 17616 1 88 . 1 1 21 21 TYR C C 13 175.349 0.3 . 1 . . . . 21 TYR C . 17616 1 89 . 1 1 21 21 TYR CA C 13 57.773 0.3 . 1 . . . . 21 TYR CA . 17616 1 90 . 1 1 21 21 TYR CB C 13 38.603 0.3 . 1 . . . . 21 TYR CB . 17616 1 91 . 1 1 21 21 TYR N N 15 120.288 0.3 . 1 . . . . 21 TYR N . 17616 1 92 . 1 1 22 22 PHE H H 1 8.207 0.02 . 1 . . . . 22 PHE H . 17616 1 93 . 1 1 22 22 PHE HA H 1 4.618 0.02 . 1 . . . . 22 PHE HA . 17616 1 94 . 1 1 22 22 PHE HB2 H 1 3.067 0.02 . 1 . . . . 22 PHE HB2 . 17616 1 95 . 1 1 22 22 PHE C C 13 175.242 0.3 . 1 . . . . 22 PHE C . 17616 1 96 . 1 1 22 22 PHE CA C 13 57.643 0.3 . 1 . . . . 22 PHE CA . 17616 1 97 . 1 1 22 22 PHE CB C 13 39.527 0.3 . 1 . . . . 22 PHE CB . 17616 1 98 . 1 1 22 22 PHE N N 15 122.148 0.3 . 1 . . . . 22 PHE N . 17616 1 99 . 1 1 23 23 GLN H H 1 8.397 0.02 . 1 . . . . 23 GLN H . 17616 1 100 . 1 1 23 23 GLN HA H 1 4.3 0.02 . 1 . . . . 23 GLN HA . 17616 1 101 . 1 1 23 23 GLN HB2 H 1 2.332 0.02 . 1 . . . . 23 GLN HB2 . 17616 1 102 . 1 1 23 23 GLN HB3 H 1 2.332 0.02 . 1 . . . . 23 GLN HB3 . 17616 1 103 . 1 1 23 23 GLN C C 13 175.848 0.3 . 1 . . . . 23 GLN C . 17616 1 104 . 1 1 23 23 GLN CA C 13 55.871 0.3 . 1 . . . . 23 GLN CA . 17616 1 105 . 1 1 23 23 GLN CB C 13 29.195 0.3 . 1 . . . . 23 GLN CB . 17616 1 106 . 1 1 23 23 GLN N N 15 122.918 0.3 . 1 . . . . 23 GLN N . 17616 1 107 . 1 1 24 24 GLY H H 1 7.931 0.02 . 1 . . . . 24 GLY H . 17616 1 108 . 1 1 24 24 GLY HA2 H 1 3.922 0.02 . 1 . . . . 24 GLY HA2 . 17616 1 109 . 1 1 24 24 GLY HA3 H 1 3.922 0.02 . 1 . . . . 24 GLY HA3 . 17616 1 110 . 1 1 24 24 GLY C C 13 173.354 0.3 . 1 . . . . 24 GLY C . 17616 1 111 . 1 1 24 24 GLY CA C 13 44.837 0.3 . 1 . . . . 24 GLY CA . 17616 1 112 . 1 1 24 24 GLY N N 15 109.605 0.3 . 1 . . . . 24 GLY N . 17616 1 113 . 1 1 25 25 ALA H H 1 8.183 0.02 . 1 . . . . 25 ALA H . 17616 1 114 . 1 1 25 25 ALA HA H 1 4.334 0.02 . 1 . . . . 25 ALA HA . 17616 1 115 . 1 1 25 25 ALA HB1 H 1 1.408 0.02 . 1 . . . . 25 ALA HB . 17616 1 116 . 1 1 25 25 ALA HB2 H 1 1.408 0.02 . 1 . . . . 25 ALA HB . 17616 1 117 . 1 1 25 25 ALA HB3 H 1 1.408 0.02 . 1 . . . . 25 ALA HB . 17616 1 118 . 1 1 25 25 ALA C C 13 177.493 0.3 . 1 . . . . 25 ALA C . 17616 1 119 . 1 1 25 25 ALA CA C 13 52.215 0.3 . 1 . . . . 25 ALA CA . 17616 1 120 . 1 1 25 25 ALA CB C 13 19.006 0.3 . 1 . . . . 25 ALA CB . 17616 1 121 . 1 1 25 25 ALA N N 15 123.337 0.3 . 1 . . . . 25 ALA N . 17616 1 122 . 1 1 26 26 MET H H 1 8.392 0.02 . 1 . . . . 26 MET H . 17616 1 123 . 1 1 26 26 MET HA H 1 4.485 0.02 . 1 . . . . 26 MET HA . 17616 1 124 . 1 1 26 26 MET HB2 H 1 1.998 0.02 . 1 . . . . 26 MET HB2 . 17616 1 125 . 1 1 26 26 MET C C 13 175.551 0.3 . 1 . . . . 26 MET C . 17616 1 126 . 1 1 26 26 MET CA C 13 54.826 0.3 . 1 . . . . 26 MET CA . 17616 1 127 . 1 1 26 26 MET CB C 13 32.974 0.3 . 1 . . . . 26 MET CB . 17616 1 128 . 1 1 26 26 MET N N 15 119.346 0.3 . 1 . . . . 26 MET N . 17616 1 129 . 1 1 27 27 ASP H H 1 8.43 0.02 . 1 . . . . 27 ASP H . 17616 1 130 . 1 1 27 27 ASP HA H 1 4.867 0.02 . 1 . . . . 27 ASP HA . 17616 1 131 . 1 1 27 27 ASP CA C 13 52.457 0.3 . 1 . . . . 27 ASP CA . 17616 1 132 . 1 1 27 27 ASP CB C 13 40.802 0.3 . 1 . . . . 27 ASP CB . 17616 1 133 . 1 1 27 27 ASP N N 15 122.997 0.3 . 1 . . . . 27 ASP N . 17616 1 134 . 1 1 29 29 GLU H H 1 8.593 0.02 . 1 . . . . 29 GLU H . 17616 1 135 . 1 1 29 29 GLU HA H 1 4.188 0.02 . 1 . . . . 29 GLU HA . 17616 1 136 . 1 1 29 29 GLU HB2 H 1 1.943 0.02 . 1 . . . . 29 GLU HB2 . 17616 1 137 . 1 1 29 29 GLU HB3 H 1 2.204 0.02 . 2 . . . . 29 GLU HB3 . 17616 1 138 . 1 1 29 29 GLU C C 13 176.483 0.3 . 1 . . . . 29 GLU C . 17616 1 139 . 1 1 29 29 GLU CA C 13 57.071 0.3 . 1 . . . . 29 GLU CA . 17616 1 140 . 1 1 29 29 GLU CB C 13 29.222 0.3 . 1 . . . . 29 GLU CB . 17616 1 141 . 1 1 29 29 GLU N N 15 119.405 0.3 . 1 . . . . 29 GLU N . 17616 1 142 . 1 1 30 30 PHE H H 1 8.034 0.02 . 1 . . . . 30 PHE H . 17616 1 143 . 1 1 30 30 PHE HA H 1 4.618 0.02 . 1 . . . . 30 PHE HA . 17616 1 144 . 1 1 30 30 PHE HB2 H 1 3.147 0.02 . 1 . . . . 30 PHE HB2 . 17616 1 145 . 1 1 30 30 PHE HB3 H 1 3.147 0.02 . 2 . . . . 30 PHE HB3 . 17616 1 146 . 1 1 30 30 PHE C C 13 175.721 0.3 . 1 . . . . 30 PHE C . 17616 1 147 . 1 1 30 30 PHE CA C 13 57.64 0.3 . 1 . . . . 30 PHE CA . 17616 1 148 . 1 1 30 30 PHE CB C 13 39.416 0.3 . 1 . . . . 30 PHE CB . 17616 1 149 . 1 1 30 30 PHE N N 15 119.888 0.3 . 1 . . . . 30 PHE N . 17616 1 150 . 1 1 31 31 MET H H 1 8.132 0.02 . 1 . . . . 31 MET H . 17616 1 151 . 1 1 31 31 MET HB2 H 1 1.976 0.02 . 1 . . . . 31 MET HB2 . 17616 1 152 . 1 1 31 31 MET C C 13 175.491 0.3 . 1 . . . . 31 MET C . 17616 1 153 . 1 1 31 31 MET CA C 13 55.458 0.3 . 1 . . . . 31 MET CA . 17616 1 154 . 1 1 31 31 MET CB C 13 32.653 0.3 . 1 . . . . 31 MET CB . 17616 1 155 . 1 1 31 31 MET N N 15 121.669 0.3 . 1 . . . . 31 MET N . 17616 1 156 . 1 1 32 32 ALA H H 1 8.173 0.02 . 1 . . . . 32 ALA H . 17616 1 157 . 1 1 32 32 ALA HA H 1 4.277 0.02 . 1 . . . . 32 ALA HA . 17616 1 158 . 1 1 32 32 ALA HB1 H 1 1.436 0.02 . 1 . . . . 32 ALA HB . 17616 1 159 . 1 1 32 32 ALA HB2 H 1 1.436 0.02 . 1 . . . . 32 ALA HB . 17616 1 160 . 1 1 32 32 ALA HB3 H 1 1.436 0.02 . 1 . . . . 32 ALA HB . 17616 1 161 . 1 1 32 32 ALA C C 13 177.589 0.3 . 1 . . . . 32 ALA C . 17616 1 162 . 1 1 32 32 ALA CA C 13 52.333 0.3 . 1 . . . . 32 ALA CA . 17616 1 163 . 1 1 32 32 ALA CB C 13 18.759 0.3 . 1 . . . . 32 ALA CB . 17616 1 164 . 1 1 32 32 ALA N N 15 124.703 0.3 . 1 . . . . 32 ALA N . 17616 1 165 . 1 1 33 33 MET H H 1 8.314 0.02 . 1 . . . . 33 MET H . 17616 1 166 . 1 1 33 33 MET HA H 1 4.425 0.02 . 1 . . . . 33 MET HA . 17616 1 167 . 1 1 33 33 MET HB2 H 1 2.006 0.02 . 1 . . . . 33 MET HB2 . 17616 1 168 . 1 1 33 33 MET C C 13 175.987 0.3 . 1 . . . . 33 MET C . 17616 1 169 . 1 1 33 33 MET CA C 13 55.599 0.3 . 1 . . . . 33 MET CA . 17616 1 170 . 1 1 33 33 MET CB C 13 32.463 0.3 . 1 . . . . 33 MET CB . 17616 1 171 . 1 1 33 33 MET N N 15 119.502 0.3 . 1 . . . . 33 MET N . 17616 1 172 . 1 1 34 34 LYS H H 1 8.333 0.02 . 1 . . . . 34 LYS H . 17616 1 173 . 1 1 34 34 LYS HA H 1 4.298 0.02 . 1 . . . . 34 LYS HA . 17616 1 174 . 1 1 34 34 LYS HB2 H 1 1.691 0.02 . 1 . . . . 34 LYS HB2 . 17616 1 175 . 1 1 34 34 LYS C C 13 175.962 0.3 . 1 . . . . 34 LYS C . 17616 1 176 . 1 1 34 34 LYS CA C 13 56.474 0.3 . 1 . . . . 34 LYS CA . 17616 1 177 . 1 1 34 34 LYS N N 15 122.462 0.3 . 1 . . . . 34 LYS N . 17616 1 178 . 1 1 35 35 TYR H H 1 8.314 0.02 . 1 . . . . 35 TYR H . 17616 1 179 . 1 1 35 35 TYR HA H 1 4.6 0.02 . 1 . . . . 35 TYR HA . 17616 1 180 . 1 1 35 35 TYR HB2 H 1 2.988 0.02 . 1 . . . . 35 TYR HB2 . 17616 1 181 . 1 1 35 35 TYR C C 13 175.331 0.3 . 1 . . . . 35 TYR C . 17616 1 182 . 1 1 35 35 TYR CA C 13 57.808 0.3 . 1 . . . . 35 TYR CA . 17616 1 183 . 1 1 35 35 TYR CB C 13 38.714 0.3 . 1 . . . . 35 TYR CB . 17616 1 184 . 1 1 35 35 TYR N N 15 121.766 0.3 . 1 . . . . 35 TYR N . 17616 1 185 . 1 1 36 36 VAL H H 1 8.138 0.02 . 1 . . . . 36 VAL H . 17616 1 186 . 1 1 36 36 VAL HA H 1 4.067 0.02 . 1 . . . . 36 VAL HA . 17616 1 187 . 1 1 36 36 VAL HB H 1 1.605 0.02 . 1 . . . . 36 VAL HB . 17616 1 188 . 1 1 36 36 VAL HG11 H 1 0.907 0.02 . 1 . . . . 36 VAL HG1 . 17616 1 189 . 1 1 36 36 VAL HG12 H 1 0.907 0.02 . 1 . . . . 36 VAL HG1 . 17616 1 190 . 1 1 36 36 VAL HG13 H 1 0.907 0.02 . 1 . . . . 36 VAL HG1 . 17616 1 191 . 1 1 36 36 VAL HG21 H 1 0.907 0.02 . 1 . . . . 36 VAL HG2 . 17616 1 192 . 1 1 36 36 VAL HG22 H 1 0.907 0.02 . 1 . . . . 36 VAL HG2 . 17616 1 193 . 1 1 36 36 VAL HG23 H 1 0.907 0.02 . 1 . . . . 36 VAL HG2 . 17616 1 194 . 1 1 36 36 VAL C C 13 175.207 0.3 . 1 . . . . 36 VAL C . 17616 1 195 . 1 1 36 36 VAL CA C 13 61.438 0.3 . 1 . . . . 36 VAL CA . 17616 1 196 . 1 1 36 36 VAL N N 15 123.623 0.3 . 1 . . . . 36 VAL N . 17616 1 197 . 1 1 37 37 ALA H H 1 8.293 0.02 . 1 . . . . 37 ALA H . 17616 1 198 . 1 1 37 37 ALA HA H 1 4.229 0.02 . 1 . . . . 37 ALA HA . 17616 1 199 . 1 1 37 37 ALA HB1 H 1 1.36 0.02 . 1 . . . . 37 ALA HB . 17616 1 200 . 1 1 37 37 ALA HB2 H 1 1.36 0.02 . 1 . . . . 37 ALA HB . 17616 1 201 . 1 1 37 37 ALA HB3 H 1 1.36 0.02 . 1 . . . . 37 ALA HB . 17616 1 202 . 1 1 37 37 ALA C C 13 177.199 0.3 . 1 . . . . 37 ALA C . 17616 1 203 . 1 1 37 37 ALA CA C 13 52.352 0.3 . 1 . . . . 37 ALA CA . 17616 1 204 . 1 1 37 37 ALA CB C 13 18.766 0.3 . 1 . . . . 37 ALA CB . 17616 1 205 . 1 1 37 37 ALA N N 15 128.074 0.3 . 1 . . . . 37 ALA N . 17616 1 206 . 1 1 38 38 ALA H H 1 8.243 0.02 . 1 . . . . 38 ALA H . 17616 1 207 . 1 1 38 38 ALA HA H 1 4.259 0.02 . 1 . . . . 38 ALA HA . 17616 1 208 . 1 1 38 38 ALA HB1 H 1 1.38 0.02 . 1 . . . . 38 ALA HB . 17616 1 209 . 1 1 38 38 ALA HB2 H 1 1.38 0.02 . 1 . . . . 38 ALA HB . 17616 1 210 . 1 1 38 38 ALA HB3 H 1 1.38 0.02 . 1 . . . . 38 ALA HB . 17616 1 211 . 1 1 38 38 ALA C C 13 177.369 0.3 . 1 . . . . 38 ALA C . 17616 1 212 . 1 1 38 38 ALA CA C 13 52.697 0.3 . 1 . . . . 38 ALA CA . 17616 1 213 . 1 1 38 38 ALA CB C 13 18.744 0.3 . 1 . . . . 38 ALA CB . 17616 1 214 . 1 1 38 38 ALA N N 15 123.16 0.3 . 1 . . . . 38 ALA N . 17616 1 215 . 1 1 39 39 TYR H H 1 8.026 0.02 . 1 . . . . 39 TYR H . 17616 1 216 . 1 1 39 39 TYR HA H 1 4.588 0.02 . 1 . . . . 39 TYR HA . 17616 1 217 . 1 1 39 39 TYR HB2 H 1 3.039 0.02 . 1 . . . . 39 TYR HB2 . 17616 1 218 . 1 1 39 39 TYR HB3 H 1 3.039 0.02 . 1 . . . . 39 TYR HB3 . 17616 1 219 . 1 1 39 39 TYR C C 13 175.42 0.3 . 1 . . . . 39 TYR C . 17616 1 220 . 1 1 39 39 TYR CA C 13 57.332 0.3 . 1 . . . . 39 TYR CA . 17616 1 221 . 1 1 39 39 TYR CB C 13 38.27 0.3 . 1 . . . . 39 TYR CB . 17616 1 222 . 1 1 39 39 TYR N N 15 118.383 0.3 . 1 . . . . 39 TYR N . 17616 1 223 . 1 1 40 40 LEU H H 1 8.131 0.02 . 1 . . . . 40 LEU H . 17616 1 224 . 1 1 40 40 LEU HA H 1 4.359 0.02 . 1 . . . . 40 LEU HA . 17616 1 225 . 1 1 40 40 LEU HB2 H 1 1.605 0.02 . 2 . . . . 40 LEU HB2 . 17616 1 226 . 1 1 40 40 LEU HB3 H 1 1.605 0.02 . 1 . . . . 40 LEU HB3 . 17616 1 227 . 1 1 40 40 LEU CA C 13 54.604 0.3 . 1 . . . . 40 LEU CA . 17616 1 228 . 1 1 40 40 LEU N N 15 123.577 0.3 . 1 . . . . 40 LEU N . 17616 1 229 . 1 1 41 41 MET H H 1 8.388 0.02 . 1 . . . . 41 MET H . 17616 1 230 . 1 1 41 41 MET HA H 1 4.308 0.02 . 1 . . . . 41 MET HA . 17616 1 231 . 1 1 41 41 MET CA C 13 56.649 0.3 . 1 . . . . 41 MET CA . 17616 1 232 . 1 1 41 41 MET CB C 13 29.664 0.3 . 1 . . . . 41 MET CB . 17616 1 233 . 1 1 41 41 MET N N 15 121.186 0.3 . 1 . . . . 41 MET N . 17616 1 234 . 1 1 42 42 CYS H H 1 8.447 0.02 . 1 . . . . 42 CYS H . 17616 1 235 . 1 1 42 42 CYS HA H 1 4.651 0.02 . 1 . . . . 42 CYS HA . 17616 1 236 . 1 1 42 42 CYS HB2 H 1 2.95 0.02 . 1 . . . . 42 CYS HB2 . 17616 1 237 . 1 1 42 42 CYS C C 13 174.268 0.3 . 1 . . . . 42 CYS C . 17616 1 238 . 1 1 42 42 CYS CA C 13 58.211 0.3 . 1 . . . . 42 CYS CA . 17616 1 239 . 1 1 42 42 CYS CB C 13 27.74 0.3 . 1 . . . . 42 CYS CB . 17616 1 240 . 1 1 42 42 CYS N N 15 120.756 0.3 . 1 . . . . 42 CYS N . 17616 1 241 . 1 1 43 43 VAL H H 1 8.362 0.02 . 1 . . . . 43 VAL H . 17616 1 242 . 1 1 43 43 VAL HA H 1 4.156 0.02 . 1 . . . . 43 VAL HA . 17616 1 243 . 1 1 43 43 VAL HB H 1 2.087 0.02 . 1 . . . . 43 VAL HB . 17616 1 244 . 1 1 43 43 VAL HG11 H 1 0.958 0.02 . 1 . . . . 43 VAL HG1 . 17616 1 245 . 1 1 43 43 VAL HG12 H 1 0.958 0.02 . 1 . . . . 43 VAL HG1 . 17616 1 246 . 1 1 43 43 VAL HG13 H 1 0.958 0.02 . 1 . . . . 43 VAL HG1 . 17616 1 247 . 1 1 43 43 VAL HG21 H 1 0.958 0.02 . 1 . . . . 43 VAL HG2 . 17616 1 248 . 1 1 43 43 VAL HG22 H 1 0.958 0.02 . 1 . . . . 43 VAL HG2 . 17616 1 249 . 1 1 43 43 VAL HG23 H 1 0.958 0.02 . 1 . . . . 43 VAL HG2 . 17616 1 250 . 1 1 43 43 VAL C C 13 175.963 0.3 . 1 . . . . 43 VAL C . 17616 1 251 . 1 1 43 43 VAL CA C 13 61.91 0.3 . 1 . . . . 43 VAL CA . 17616 1 252 . 1 1 43 43 VAL N N 15 123.04 0.3 . 1 . . . . 43 VAL N . 17616 1 253 . 1 1 44 44 LEU H H 1 8.444 0.02 . 1 . . . . 44 LEU H . 17616 1 254 . 1 1 44 44 LEU HA H 1 4.439 0.02 . 1 . . . . 44 LEU HA . 17616 1 255 . 1 1 44 44 LEU HB2 H 1 1.685 0.02 . 1 . . . . 44 LEU HB2 . 17616 1 256 . 1 1 44 44 LEU HB3 H 1 1.685 0.02 . 1 . . . . 44 LEU HB3 . 17616 1 257 . 1 1 44 44 LEU C C 13 177.554 0.3 . 1 . . . . 44 LEU C . 17616 1 258 . 1 1 44 44 LEU CA C 13 55.072 0.3 . 1 . . . . 44 LEU CA . 17616 1 259 . 1 1 44 44 LEU CB C 13 42.16 0.3 . 1 . . . . 44 LEU CB . 17616 1 260 . 1 1 44 44 LEU N N 15 126.308 0.3 . 1 . . . . 44 LEU N . 17616 1 261 . 1 1 45 45 GLY H H 1 8.49 0.02 . 1 . . . . 45 GLY H . 17616 1 262 . 1 1 45 45 GLY HA2 H 1 4.034 0.02 . 1 . . . . 45 GLY HA2 . 17616 1 263 . 1 1 45 45 GLY HA3 H 1 4.034 0.02 . 1 . . . . 45 GLY HA3 . 17616 1 264 . 1 1 45 45 GLY C C 13 174.384 0.3 . 1 . . . . 45 GLY C . 17616 1 265 . 1 1 45 45 GLY CA C 13 45.197 0.3 . 1 . . . . 45 GLY CA . 17616 1 266 . 1 1 45 45 GLY N N 15 109.983 0.3 . 1 . . . . 45 GLY N . 17616 1 267 . 1 1 46 46 GLY H H 1 8.355 0.02 . 1 . . . . 46 GLY H . 17616 1 268 . 1 1 46 46 GLY HA2 H 1 4.029 0.02 . 1 . . . . 46 GLY HA2 . 17616 1 269 . 1 1 46 46 GLY HA3 H 1 4.029 0.02 . 1 . . . . 46 GLY HA3 . 17616 1 270 . 1 1 46 46 GLY C C 13 173.843 0.3 . 1 . . . . 46 GLY C . 17616 1 271 . 1 1 46 46 GLY CA C 13 45.229 0.3 . 1 . . . . 46 GLY CA . 17616 1 272 . 1 1 46 46 GLY N N 15 108.515 0.3 . 1 . . . . 46 GLY N . 17616 1 273 . 1 1 47 47 ASN H H 1 8.476 0.02 . 1 . . . . 47 ASN H . 17616 1 274 . 1 1 47 47 ASN HA H 1 4.772 0.02 . 1 . . . . 47 ASN HA . 17616 1 275 . 1 1 47 47 ASN HB2 H 1 2.849 0.02 . 1 . . . . 47 ASN HB2 . 17616 1 276 . 1 1 47 47 ASN HB3 H 1 2.849 0.02 . 2 . . . . 47 ASN HB3 . 17616 1 277 . 1 1 47 47 ASN C C 13 175.048 0.3 . 1 . . . . 47 ASN C . 17616 1 278 . 1 1 47 47 ASN CA C 13 53.216 0.3 . 1 . . . . 47 ASN CA . 17616 1 279 . 1 1 47 47 ASN CB C 13 38.782 0.3 . 1 . . . . 47 ASN CB . 17616 1 280 . 1 1 47 47 ASN N N 15 118.554 0.3 . 1 . . . . 47 ASN N . 17616 1 281 . 1 1 48 48 GLU H H 1 8.543 0.02 . 1 . . . . 48 GLU H . 17616 1 282 . 1 1 48 48 GLU HA H 1 4.311 0.02 . 1 . . . . 48 GLU HA . 17616 1 283 . 1 1 48 48 GLU HB2 H 1 1.964 0.02 . 1 . . . . 48 GLU HB2 . 17616 1 284 . 1 1 48 48 GLU HG2 H 1 2.318 0.02 . 1 . . . . 48 GLU HG2 . 17616 1 285 . 1 1 48 48 GLU HG3 H 1 2.318 0.02 . 1 . . . . 48 GLU HG3 . 17616 1 286 . 1 1 48 48 GLU C C 13 175.827 0.3 . 1 . . . . 48 GLU C . 17616 1 287 . 1 1 48 48 GLU CA C 13 56.718 0.3 . 1 . . . . 48 GLU CA . 17616 1 288 . 1 1 48 48 GLU CB C 13 29.711 0.3 . 1 . . . . 48 GLU CB . 17616 1 289 . 1 1 48 48 GLU N N 15 120.767 0.3 . 1 . . . . 48 GLU N . 17616 1 290 . 1 1 49 49 ASN H H 1 8.559 0.02 . 1 . . . . 49 ASN H . 17616 1 291 . 1 1 49 49 ASN HA H 1 5.008 0.02 . 1 . . . . 49 ASN HA . 17616 1 292 . 1 1 49 49 ASN HB2 H 1 2.726 0.02 . 1 . . . . 49 ASN HB2 . 17616 1 293 . 1 1 49 49 ASN HB3 H 1 2.899 0.02 . 2 . . . . 49 ASN HB3 . 17616 1 294 . 1 1 49 49 ASN CA C 13 51.346 0.3 . 1 . . . . 49 ASN CA . 17616 1 295 . 1 1 49 49 ASN CB C 13 38.57 0.3 . 1 . . . . 49 ASN CB . 17616 1 296 . 1 1 49 49 ASN N N 15 120.343 0.3 . 1 . . . . 49 ASN N . 17616 1 297 . 1 1 51 51 SER H H 1 8.503 0.02 . 1 . . . . 51 SER H . 17616 1 298 . 1 1 51 51 SER HA H 1 4.524 0.02 . 1 . . . . 51 SER HA . 17616 1 299 . 1 1 51 51 SER HB2 H 1 3.94 0.02 . 1 . . . . 51 SER HB2 . 17616 1 300 . 1 1 51 51 SER HB3 H 1 3.94 0.02 . 1 . . . . 51 SER HB3 . 17616 1 301 . 1 1 51 51 SER C C 13 175.005 0.3 . 1 . . . . 51 SER C . 17616 1 302 . 1 1 51 51 SER CA C 13 58.272 0.3 . 1 . . . . 51 SER CA . 17616 1 303 . 1 1 51 51 SER CB C 13 63.865 0.3 . 1 . . . . 51 SER CB . 17616 1 304 . 1 1 51 51 SER N N 15 115.736 0.3 . 1 . . . . 51 SER N . 17616 1 305 . 1 1 52 52 THR H H 1 8.193 0.02 . 1 . . . . 52 THR H . 17616 1 306 . 1 1 52 52 THR HA H 1 4.408 0.02 . 1 . . . . 52 THR HA . 17616 1 307 . 1 1 52 52 THR HG21 H 1 1.251 0.02 . 1 . . . . 52 THR HG1 . 17616 1 308 . 1 1 52 52 THR HG22 H 1 1.251 0.02 . 1 . . . . 52 THR HG1 . 17616 1 309 . 1 1 52 52 THR HG23 H 1 1.251 0.02 . 1 . . . . 52 THR HG1 . 17616 1 310 . 1 1 52 52 THR C C 13 174.438 0.3 . 1 . . . . 52 THR C . 17616 1 311 . 1 1 52 52 THR CA C 13 61.895 0.3 . 1 . . . . 52 THR CA . 17616 1 312 . 1 1 52 52 THR CB C 13 69.443 0.3 . 1 . . . . 52 THR CB . 17616 1 313 . 1 1 52 52 THR N N 15 115.493 0.3 . 1 . . . . 52 THR N . 17616 1 314 . 1 1 53 53 LYS H H 1 8.289 0.02 . 1 . . . . 53 LYS H . 17616 1 315 . 1 1 53 53 LYS HA H 1 4.363 0.02 . 1 . . . . 53 LYS HA . 17616 1 316 . 1 1 53 53 LYS HB2 H 1 1.739 0.02 . 1 . . . . 53 LYS HB2 . 17616 1 317 . 1 1 53 53 LYS HB3 H 1 1.739 0.02 . 1 . . . . 53 LYS HB3 . 17616 1 318 . 1 1 53 53 LYS HG2 H 1 1.425 0.02 . 1 . . . . 53 LYS HG2 . 17616 1 319 . 1 1 53 53 LYS HG3 H 1 1.425 0.02 . 1 . . . . 53 LYS HG3 . 17616 1 320 . 1 1 53 53 LYS C C 13 176.146 0.3 . 1 . . . . 53 LYS C . 17616 1 321 . 1 1 53 53 LYS CA C 13 56.367 0.3 . 1 . . . . 53 LYS CA . 17616 1 322 . 1 1 53 53 LYS CB C 13 32.841 0.3 . 1 . . . . 53 LYS CB . 17616 1 323 . 1 1 53 53 LYS N N 15 123.265 0.3 . 1 . . . . 53 LYS N . 17616 1 324 . 1 1 54 54 GLU H H 1 8.451 0.02 . 1 . . . . 54 GLU H . 17616 1 325 . 1 1 54 54 GLU HA H 1 4.334 0.02 . 1 . . . . 54 GLU HA . 17616 1 326 . 1 1 54 54 GLU HB2 H 1 2.303 0.02 . 1 . . . . 54 GLU HB2 . 17616 1 327 . 1 1 54 54 GLU HB3 H 1 2.303 0.02 . 2 . . . . 54 GLU HB3 . 17616 1 328 . 1 1 54 54 GLU C C 13 176.127 0.3 . 1 . . . . 54 GLU C . 17616 1 329 . 1 1 54 54 GLU CA C 13 56.403 0.3 . 1 . . . . 54 GLU CA . 17616 1 330 . 1 1 54 54 GLU CB C 13 29.923 0.3 . 1 . . . . 54 GLU CB . 17616 1 331 . 1 1 54 54 GLU N N 15 122.505 0.3 . 1 . . . . 54 GLU N . 17616 1 332 . 1 1 55 55 VAL H H 1 8.359 0.02 . 1 . . . . 55 VAL H . 17616 1 333 . 1 1 55 55 VAL HA H 1 4.157 0.02 . 1 . . . . 55 VAL HA . 17616 1 334 . 1 1 55 55 VAL HB H 1 2.075 0.02 . 1 . . . . 55 VAL HB . 17616 1 335 . 1 1 55 55 VAL HG11 H 1 0.958 0.02 . 1 . . . . 55 VAL HG1 . 17616 1 336 . 1 1 55 55 VAL HG12 H 1 0.958 0.02 . 1 . . . . 55 VAL HG1 . 17616 1 337 . 1 1 55 55 VAL HG13 H 1 0.958 0.02 . 1 . . . . 55 VAL HG1 . 17616 1 338 . 1 1 55 55 VAL HG21 H 1 0.958 0.02 . 1 . . . . 55 VAL HG2 . 17616 1 339 . 1 1 55 55 VAL HG22 H 1 0.958 0.02 . 1 . . . . 55 VAL HG2 . 17616 1 340 . 1 1 55 55 VAL HG23 H 1 0.958 0.02 . 1 . . . . 55 VAL HG2 . 17616 1 341 . 1 1 55 55 VAL C C 13 175.877 0.3 . 1 . . . . 55 VAL C . 17616 1 342 . 1 1 55 55 VAL CA C 13 62.273 0.3 . 1 . . . . 55 VAL CA . 17616 1 343 . 1 1 55 55 VAL CB C 13 32.383 0.3 . 1 . . . . 55 VAL CB . 17616 1 344 . 1 1 55 55 VAL N N 15 122.64 0.3 . 1 . . . . 55 VAL N . 17616 1 345 . 1 1 56 56 LYS H H 1 8.511 0.02 . 1 . . . . 56 LYS H . 17616 1 346 . 1 1 56 56 LYS HA H 1 4.399 0.02 . 1 . . . . 56 LYS HA . 17616 1 347 . 1 1 56 56 LYS HB2 H 1 1.77 0.02 . 1 . . . . 56 LYS HB2 . 17616 1 348 . 1 1 56 56 LYS HG2 H 1 1.44 0.02 . 1 . . . . 56 LYS HG2 . 17616 1 349 . 1 1 56 56 LYS HG3 H 1 1.44 0.02 . 1 . . . . 56 LYS HG3 . 17616 1 350 . 1 1 56 56 LYS C C 13 175.969 0.3 . 1 . . . . 56 LYS C . 17616 1 351 . 1 1 56 56 LYS CA C 13 56.034 0.3 . 1 . . . . 56 LYS CA . 17616 1 352 . 1 1 56 56 LYS CB C 13 33.111 0.3 . 1 . . . . 56 LYS CB . 17616 1 353 . 1 1 56 56 LYS N N 15 125.498 0.3 . 1 . . . . 56 LYS N . 17616 1 354 . 1 1 57 57 ASN H H 1 8.628 0.02 . 1 . . . . 57 ASN H . 17616 1 355 . 1 1 57 57 ASN HA H 1 4.771 0.02 . 1 . . . . 57 ASN HA . 17616 1 356 . 1 1 57 57 ASN HB2 H 1 2.798 0.02 . 1 . . . . 57 ASN HB2 . 17616 1 357 . 1 1 57 57 ASN HB3 H 1 2.798 0.02 . 1 . . . . 57 ASN HB3 . 17616 1 358 . 1 1 57 57 ASN C C 13 175.083 0.3 . 1 . . . . 57 ASN C . 17616 1 359 . 1 1 57 57 ASN CA C 13 53.093 0.3 . 1 . . . . 57 ASN CA . 17616 1 360 . 1 1 57 57 ASN CB C 13 38.618 0.3 . 1 . . . . 57 ASN CB . 17616 1 361 . 1 1 57 57 ASN N N 15 120.907 0.3 . 1 . . . . 57 ASN N . 17616 1 362 . 1 1 58 58 VAL H H 1 8.269 0.02 . 1 . . . . 58 VAL H . 17616 1 363 . 1 1 58 58 VAL HA H 1 4.165 0.02 . 1 . . . . 58 VAL HA . 17616 1 364 . 1 1 58 58 VAL HB H 1 2.121 0.02 . 1 . . . . 58 VAL HB . 17616 1 365 . 1 1 58 58 VAL HG11 H 1 0.959 0.02 . 1 . . . . 58 VAL HG1 . 17616 1 366 . 1 1 58 58 VAL HG12 H 1 0.959 0.02 . 1 . . . . 58 VAL HG1 . 17616 1 367 . 1 1 58 58 VAL HG13 H 1 0.959 0.02 . 1 . . . . 58 VAL HG1 . 17616 1 368 . 1 1 58 58 VAL HG21 H 1 0.959 0.02 . 1 . . . . 58 VAL HG2 . 17616 1 369 . 1 1 58 58 VAL HG22 H 1 0.959 0.02 . 1 . . . . 58 VAL HG2 . 17616 1 370 . 1 1 58 58 VAL HG23 H 1 0.959 0.02 . 1 . . . . 58 VAL HG2 . 17616 1 371 . 1 1 58 58 VAL C C 13 175.959 0.3 . 1 . . . . 58 VAL C . 17616 1 372 . 1 1 58 58 VAL CA C 13 62.374 0.3 . 1 . . . . 58 VAL CA . 17616 1 373 . 1 1 58 58 VAL CB C 13 32.372 0.3 . 1 . . . . 58 VAL CB . 17616 1 374 . 1 1 58 58 VAL N N 15 120.837 0.3 . 1 . . . . 58 VAL N . 17616 1 375 . 1 1 59 59 LEU H H 1 8.396 0.02 . 1 . . . . 59 LEU H . 17616 1 376 . 1 1 59 59 LEU HA H 1 4.401 0.02 . 1 . . . . 59 LEU HA . 17616 1 377 . 1 1 59 59 LEU HB2 H 1 1.671 0.02 . 1 . . . . 59 LEU HB2 . 17616 1 378 . 1 1 59 59 LEU HB3 H 1 1.671 0.02 . 1 . . . . 59 LEU HB3 . 17616 1 379 . 1 1 59 59 LEU C C 13 177.554 0.3 . 1 . . . . 59 LEU C . 17616 1 380 . 1 1 59 59 LEU CA C 13 55.146 0.3 . 1 . . . . 59 LEU CA . 17616 1 381 . 1 1 59 59 LEU CB C 13 42.003 0.3 . 1 . . . . 59 LEU CB . 17616 1 382 . 1 1 59 59 LEU N N 15 125.5 0.3 . 1 . . . . 59 LEU N . 17616 1 383 . 1 1 60 60 GLY H H 1 8.389 0.02 . 1 . . . . 60 GLY H . 17616 1 384 . 1 1 60 60 GLY HA2 H 1 3.991 0.02 . 1 . . . . 60 GLY HA2 . 17616 1 385 . 1 1 60 60 GLY HA3 H 1 3.991 0.02 . 1 . . . . 60 GLY HA3 . 17616 1 386 . 1 1 60 60 GLY C C 13 173.439 0.3 . 1 . . . . 60 GLY C . 17616 1 387 . 1 1 60 60 GLY CA C 13 44.817 0.3 . 1 . . . . 60 GLY CA . 17616 1 388 . 1 1 60 60 GLY N N 15 109.756 0.3 . 1 . . . . 60 GLY N . 17616 1 389 . 1 1 61 61 ALA H H 1 8.164 0.02 . 1 . . . . 61 ALA H . 17616 1 390 . 1 1 61 61 ALA HA H 1 4.372 0.02 . 1 . . . . 61 ALA HA . 17616 1 391 . 1 1 61 61 ALA HB1 H 1 1.402 0.02 . 1 . . . . 61 ALA HB . 17616 1 392 . 1 1 61 61 ALA HB2 H 1 1.402 0.02 . 1 . . . . 61 ALA HB . 17616 1 393 . 1 1 61 61 ALA HB3 H 1 1.402 0.02 . 1 . . . . 61 ALA HB . 17616 1 394 . 1 1 61 61 ALA C C 13 177.652 0.3 . 1 . . . . 61 ALA C . 17616 1 395 . 1 1 61 61 ALA CA C 13 52.231 0.3 . 1 . . . . 61 ALA CA . 17616 1 396 . 1 1 61 61 ALA CB C 13 19.291 0.3 . 1 . . . . 61 ALA CB . 17616 1 397 . 1 1 61 61 ALA N N 15 123.691 0.3 . 1 . . . . 61 ALA N . 17616 1 398 . 1 1 62 62 VAL H H 1 8.217 0.02 . 1 . . . . 62 VAL H . 17616 1 399 . 1 1 62 62 VAL HA H 1 4.137 0.02 . 1 . . . . 62 VAL HA . 17616 1 400 . 1 1 62 62 VAL HB H 1 2.091 0.02 . 1 . . . . 62 VAL HB . 17616 1 401 . 1 1 62 62 VAL HG11 H 1 0.968 0.02 . 1 . . . . 62 VAL HG1 . 17616 1 402 . 1 1 62 62 VAL HG12 H 1 0.968 0.02 . 1 . . . . 62 VAL HG1 . 17616 1 403 . 1 1 62 62 VAL HG13 H 1 0.968 0.02 . 1 . . . . 62 VAL HG1 . 17616 1 404 . 1 1 62 62 VAL HG21 H 1 0.968 0.02 . 1 . . . . 62 VAL HG2 . 17616 1 405 . 1 1 62 62 VAL HG22 H 1 0.968 0.02 . 1 . . . . 62 VAL HG2 . 17616 1 406 . 1 1 62 62 VAL HG23 H 1 0.968 0.02 . 1 . . . . 62 VAL HG2 . 17616 1 407 . 1 1 62 62 VAL C C 13 175.827 0.3 . 1 . . . . 62 VAL C . 17616 1 408 . 1 1 62 62 VAL CA C 13 62.318 0.3 . 1 . . . . 62 VAL CA . 17616 1 409 . 1 1 62 62 VAL CB C 13 32.634 0.3 . 1 . . . . 62 VAL CB . 17616 1 410 . 1 1 62 62 VAL N N 15 119.172 0.3 . 1 . . . . 62 VAL N . 17616 1 411 . 1 1 63 63 ASN H H 1 8.573 0.02 . 1 . . . . 63 ASN H . 17616 1 412 . 1 1 63 63 ASN HA H 1 4.765 0.02 . 1 . . . . 63 ASN HA . 17616 1 413 . 1 1 63 63 ASN HB2 H 1 2.795 0.02 . 1 . . . . 63 ASN HB2 . 17616 1 414 . 1 1 63 63 ASN HB3 H 1 2.887 0.02 . 2 . . . . 63 ASN HB3 . 17616 1 415 . 1 1 63 63 ASN C C 13 174.729 0.3 . 1 . . . . 63 ASN C . 17616 1 416 . 1 1 63 63 ASN CA C 13 52.987 0.3 . 1 . . . . 63 ASN CA . 17616 1 417 . 1 1 63 63 ASN CB C 13 38.717 0.3 . 1 . . . . 63 ASN CB . 17616 1 418 . 1 1 63 63 ASN N N 15 122.341 0.3 . 1 . . . . 63 ASN N . 17616 1 419 . 1 1 64 64 ALA H H 1 8.338 0.02 . 1 . . . . 64 ALA H . 17616 1 420 . 1 1 64 64 ALA HA H 1 4.347 0.02 . 1 . . . . 64 ALA HA . 17616 1 421 . 1 1 64 64 ALA HB1 H 1 1.421 0.02 . 1 . . . . 64 ALA HB . 17616 1 422 . 1 1 64 64 ALA HB2 H 1 1.421 0.02 . 1 . . . . 64 ALA HB . 17616 1 423 . 1 1 64 64 ALA HB3 H 1 1.421 0.02 . 1 . . . . 64 ALA HB . 17616 1 424 . 1 1 64 64 ALA C C 13 177.091 0.3 . 1 . . . . 64 ALA C . 17616 1 425 . 1 1 64 64 ALA CA C 13 52.713 0.3 . 1 . . . . 64 ALA CA . 17616 1 426 . 1 1 64 64 ALA CB C 13 19.213 0.3 . 1 . . . . 64 ALA CB . 17616 1 427 . 1 1 64 64 ALA N N 15 124.515 0.3 . 1 . . . . 64 ALA N . 17616 1 428 . 1 1 65 65 ASP H H 1 8.428 0.02 . 1 . . . . 65 ASP H . 17616 1 429 . 1 1 65 65 ASP HA H 1 4.676 0.02 . 1 . . . . 65 ASP HA . 17616 1 430 . 1 1 65 65 ASP HB2 H 1 2.686 0.02 . 1 . . . . 65 ASP HB2 . 17616 1 431 . 1 1 65 65 ASP HB3 H 1 2.789 0.02 . 2 . . . . 65 ASP HB3 . 17616 1 432 . 1 1 65 65 ASP C C 13 176.128 0.3 . 1 . . . . 65 ASP C . 17616 1 433 . 1 1 65 65 ASP CA C 13 54.307 0.3 . 1 . . . . 65 ASP CA . 17616 1 434 . 1 1 65 65 ASP CB C 13 40.529 0.3 . 1 . . . . 65 ASP CB . 17616 1 435 . 1 1 65 65 ASP N N 15 119.438 0.3 . 1 . . . . 65 ASP N . 17616 1 436 . 1 1 66 66 VAL H H 1 8.034 0.02 . 1 . . . . 66 VAL H . 17616 1 437 . 1 1 66 66 VAL HA H 1 4.159 0.02 . 1 . . . . 66 VAL HA . 17616 1 438 . 1 1 66 66 VAL HB H 1 2.134 0.02 . 1 . . . . 66 VAL HB . 17616 1 439 . 1 1 66 66 VAL HG11 H 1 0.968 0.02 . 1 . . . . 66 VAL HG1 . 17616 1 440 . 1 1 66 66 VAL HG12 H 1 0.968 0.02 . 1 . . . . 66 VAL HG1 . 17616 1 441 . 1 1 66 66 VAL HG13 H 1 0.968 0.02 . 1 . . . . 66 VAL HG1 . 17616 1 442 . 1 1 66 66 VAL HG21 H 1 0.968 0.02 . 1 . . . . 66 VAL HG2 . 17616 1 443 . 1 1 66 66 VAL HG22 H 1 0.968 0.02 . 1 . . . . 66 VAL HG2 . 17616 1 444 . 1 1 66 66 VAL HG23 H 1 0.968 0.02 . 1 . . . . 66 VAL HG2 . 17616 1 445 . 1 1 66 66 VAL C C 13 176.022 0.3 . 1 . . . . 66 VAL C . 17616 1 446 . 1 1 66 66 VAL CA C 13 62.345 0.3 . 1 . . . . 66 VAL CA . 17616 1 447 . 1 1 66 66 VAL CB C 13 32.427 0.3 . 1 . . . . 66 VAL CB . 17616 1 448 . 1 1 66 66 VAL N N 15 119.509 0.3 . 1 . . . . 66 VAL N . 17616 1 449 . 1 1 67 67 GLU H H 1 8.482 0.02 . 1 . . . . 67 GLU H . 17616 1 450 . 1 1 67 67 GLU HA H 1 4.336 0.02 . 1 . . . . 67 GLU HA . 17616 1 451 . 1 1 67 67 GLU HB2 H 1 1.96 0.02 . 1 . . . . 67 GLU HB2 . 17616 1 452 . 1 1 67 67 GLU HG2 H 1 2.364 0.02 . 1 . . . . 67 GLU HG2 . 17616 1 453 . 1 1 67 67 GLU HG3 H 1 2.364 0.02 . 1 . . . . 67 GLU HG3 . 17616 1 454 . 1 1 67 67 GLU C C 13 176.837 0.3 . 1 . . . . 67 GLU C . 17616 1 455 . 1 1 67 67 GLU CA C 13 56.101 0.3 . 1 . . . . 67 GLU CA . 17616 1 456 . 1 1 67 67 GLU CB C 13 29.543 0.3 . 1 . . . . 67 GLU CB . 17616 1 457 . 1 1 67 67 GLU N N 15 123.617 0.3 . 1 . . . . 67 GLU N . 17616 1 458 . 1 1 68 68 ASP H H 1 8.368 0.02 . 1 . . . . 68 ASP H . 17616 1 459 . 1 1 68 68 ASP HA H 1 4.638 0.02 . 1 . . . . 68 ASP HA . 17616 1 460 . 1 1 68 68 ASP HB2 H 1 2.722 0.02 . 1 . . . . 68 ASP HB2 . 17616 1 461 . 1 1 68 68 ASP CA C 13 54.485 0.3 . 1 . . . . 68 ASP CA . 17616 1 462 . 1 1 68 68 ASP N N 15 121.177 0.3 . 1 . . . . 68 ASP N . 17616 1 463 . 1 1 70 70 VAL H H 1 8.229 0.02 . 1 . . . . 70 VAL H . 17616 1 464 . 1 1 70 70 VAL HA H 1 4.08 0.02 . 1 . . . . 70 VAL HA . 17616 1 465 . 1 1 70 70 VAL HB H 1 2.1 0.02 . 1 . . . . 70 VAL HB . 17616 1 466 . 1 1 70 70 VAL HG11 H 1 0.971 0.02 . 1 . . . . 70 VAL HG1 . 17616 1 467 . 1 1 70 70 VAL HG12 H 1 0.971 0.02 . 1 . . . . 70 VAL HG1 . 17616 1 468 . 1 1 70 70 VAL HG13 H 1 0.971 0.02 . 1 . . . . 70 VAL HG1 . 17616 1 469 . 1 1 70 70 VAL HG21 H 1 0.971 0.02 . 1 . . . . 70 VAL HG2 . 17616 1 470 . 1 1 70 70 VAL HG22 H 1 0.971 0.02 . 1 . . . . 70 VAL HG2 . 17616 1 471 . 1 1 70 70 VAL HG23 H 1 0.971 0.02 . 1 . . . . 70 VAL HG2 . 17616 1 472 . 1 1 70 70 VAL C C 13 176.199 0.3 . 1 . . . . 70 VAL C . 17616 1 473 . 1 1 70 70 VAL CA C 13 62.775 0.3 . 1 . . . . 70 VAL CA . 17616 1 474 . 1 1 70 70 VAL CB C 13 32.142 0.3 . 1 . . . . 70 VAL CB . 17616 1 475 . 1 1 70 70 VAL N N 15 121.51 0.3 . 1 . . . . 70 VAL N . 17616 1 476 . 1 1 71 71 LEU H H 1 8.319 0.02 . 1 . . . . 71 LEU H . 17616 1 477 . 1 1 71 71 LEU HA H 1 4.37 0.02 . 1 . . . . 71 LEU HA . 17616 1 478 . 1 1 71 71 LEU HB2 H 1 1.643 0.02 . 1 . . . . 71 LEU HB2 . 17616 1 479 . 1 1 71 71 LEU HB3 H 1 1.643 0.02 . 1 . . . . 71 LEU HB3 . 17616 1 480 . 1 1 71 71 LEU C C 13 177.007 0.3 . 1 . . . . 71 LEU C . 17616 1 481 . 1 1 71 71 LEU CA C 13 55.115 0.3 . 1 . . . . 71 LEU CA . 17616 1 482 . 1 1 71 71 LEU CB C 13 42 0.3 . 1 . . . . 71 LEU CB . 17616 1 483 . 1 1 71 71 LEU N N 15 125.355 0.3 . 1 . . . . 71 LEU N . 17616 1 484 . 1 1 72 72 ASN H H 1 8.461 0.02 . 1 . . . . 72 ASN H . 17616 1 485 . 1 1 72 72 ASN HA H 1 4.693 0.02 . 1 . . . . 72 ASN HA . 17616 1 486 . 1 1 72 72 ASN HB2 H 1 2.76 0.02 . 1 . . . . 72 ASN HB2 . 17616 1 487 . 1 1 72 72 ASN C C 13 174.888 0.3 . 1 . . . . 72 ASN C . 17616 1 488 . 1 1 72 72 ASN CA C 13 53.271 0.3 . 1 . . . . 72 ASN CA . 17616 1 489 . 1 1 72 72 ASN CB C 13 38.649 0.3 . 1 . . . . 72 ASN CB . 17616 1 490 . 1 1 72 72 ASN N N 15 119.317 0.3 . 1 . . . . 72 ASN N . 17616 1 491 . 1 1 73 73 ASN H H 1 8.389 0.02 . 1 . . . . 73 ASN H . 17616 1 492 . 1 1 73 73 ASN HA H 1 4.697 0.02 . 1 . . . . 73 ASN HA . 17616 1 493 . 1 1 73 73 ASN HB2 H 1 2.752 0.02 . 1 . . . . 73 ASN HB2 . 17616 1 494 . 1 1 73 73 ASN C C 13 174.911 0.3 . 1 . . . . 73 ASN C . 17616 1 495 . 1 1 73 73 ASN CA C 13 52.965 0.3 . 1 . . . . 73 ASN CA . 17616 1 496 . 1 1 73 73 ASN CB C 13 38.587 0.3 . 1 . . . . 73 ASN CB . 17616 1 497 . 1 1 73 73 ASN N N 15 119.28 0.3 . 1 . . . . 73 ASN N . 17616 1 498 . 1 1 74 74 PHE H H 1 8.252 0.02 . 1 . . . . 74 PHE H . 17616 1 499 . 1 1 74 74 PHE HA H 1 4.638 0.02 . 1 . . . . 74 PHE HA . 17616 1 500 . 1 1 74 74 PHE HB2 H 1 3.14 0.02 . 1 . . . . 74 PHE HB2 . 17616 1 501 . 1 1 74 74 PHE HB3 H 1 3.14 0.02 . 1 . . . . 74 PHE HB3 . 17616 1 502 . 1 1 74 74 PHE C C 13 175.643 0.3 . 1 . . . . 74 PHE C . 17616 1 503 . 1 1 74 74 PHE CA C 13 57.685 0.3 . 1 . . . . 74 PHE CA . 17616 1 504 . 1 1 74 74 PHE CB C 13 38.971 0.3 . 1 . . . . 74 PHE CB . 17616 1 505 . 1 1 74 74 PHE N N 15 120.701 0.3 . 1 . . . . 74 PHE N . 17616 1 506 . 1 1 75 75 ILE H H 1 8.147 0.02 . 1 . . . . 75 ILE H . 17616 1 507 . 1 1 75 75 ILE HA H 1 4.094 0.02 . 1 . . . . 75 ILE HA . 17616 1 508 . 1 1 75 75 ILE HB H 1 1.838 0.02 . 1 . . . . 75 ILE HB . 17616 1 509 . 1 1 75 75 ILE HG12 H 1 0.9 0.02 . 1 . . . . 75 ILE HG12 . 17616 1 510 . 1 1 75 75 ILE HG13 H 1 0.9 0.02 . 1 . . . . 75 ILE HG13 . 17616 1 511 . 1 1 75 75 ILE C C 13 175.726 0.3 . 1 . . . . 75 ILE C . 17616 1 512 . 1 1 75 75 ILE CA C 13 61.295 0.3 . 1 . . . . 75 ILE CA . 17616 1 513 . 1 1 75 75 ILE N N 15 122.643 0.3 . 1 . . . . 75 ILE N . 17616 1 514 . 1 1 76 76 ASP H H 1 8.392 0.02 . 1 . . . . 76 ASP H . 17616 1 515 . 1 1 76 76 ASP HA H 1 4.624 0.02 . 1 . . . . 76 ASP HA . 17616 1 516 . 1 1 76 76 ASP HB2 H 1 2.774 0.02 . 1 . . . . 76 ASP HB2 . 17616 1 517 . 1 1 76 76 ASP HB3 H 1 2.774 0.02 . 1 . . . . 76 ASP HB3 . 17616 1 518 . 1 1 76 76 ASP C C 13 176.518 0.3 . 1 . . . . 76 ASP C . 17616 1 519 . 1 1 76 76 ASP CA C 13 54.363 0.3 . 1 . . . . 76 ASP CA . 17616 1 520 . 1 1 76 76 ASP CB C 13 41.015 0.3 . 1 . . . . 76 ASP CB . 17616 1 521 . 1 1 76 76 ASP N N 15 124.096 0.3 . 1 . . . . 76 ASP N . 17616 1 522 . 1 1 77 77 SER H H 1 8.319 0.02 . 1 . . . . 77 SER H . 17616 1 523 . 1 1 77 77 SER HA H 1 4.41 0.02 . 1 . . . . 77 SER HA . 17616 1 524 . 1 1 77 77 SER HB2 H 1 3.928 0.02 . 1 . . . . 77 SER HB2 . 17616 1 525 . 1 1 77 77 SER HB3 H 1 3.928 0.02 . 1 . . . . 77 SER HB3 . 17616 1 526 . 1 1 77 77 SER C C 13 174.807 0.3 . 1 . . . . 77 SER C . 17616 1 527 . 1 1 77 77 SER CA C 13 58.572 0.3 . 1 . . . . 77 SER CA . 17616 1 528 . 1 1 77 77 SER CB C 13 63.531 0.3 . 1 . . . . 77 SER CB . 17616 1 529 . 1 1 77 77 SER N N 15 116.763 0.3 . 1 . . . . 77 SER N . 17616 1 530 . 1 1 78 78 LEU H H 1 8.27 0.02 . 1 . . . . 78 LEU H . 17616 1 531 . 1 1 78 78 LEU HA H 1 4.369 0.02 . 1 . . . . 78 LEU HA . 17616 1 532 . 1 1 78 78 LEU HB2 H 1 1.669 0.02 . 1 . . . . 78 LEU HB2 . 17616 1 533 . 1 1 78 78 LEU HB3 H 1 1.669 0.02 . 1 . . . . 78 LEU HB3 . 17616 1 534 . 1 1 78 78 LEU C C 13 177.502 0.3 . 1 . . . . 78 LEU C . 17616 1 535 . 1 1 78 78 LEU CA C 13 55.453 0.3 . 1 . . . . 78 LEU CA . 17616 1 536 . 1 1 78 78 LEU CB C 13 41.784 0.3 . 1 . . . . 78 LEU CB . 17616 1 537 . 1 1 78 78 LEU N N 15 123.306 0.3 . 1 . . . . 78 LEU N . 17616 1 538 . 1 1 79 79 LYS H H 1 8.194 0.02 . 1 . . . . 79 LYS H . 17616 1 539 . 1 1 79 79 LYS HA H 1 4.319 0.02 . 1 . . . . 79 LYS HA . 17616 1 540 . 1 1 79 79 LYS HB2 H 1 1.844 0.02 . 1 . . . . 79 LYS HB2 . 17616 1 541 . 1 1 79 79 LYS HB3 H 1 1.844 0.02 . 2 . . . . 79 LYS HB3 . 17616 1 542 . 1 1 79 79 LYS C C 13 177.068 0.3 . 1 . . . . 79 LYS C . 17616 1 543 . 1 1 79 79 LYS CA C 13 56.636 0.3 . 1 . . . . 79 LYS CA . 17616 1 544 . 1 1 79 79 LYS CB C 13 32.732 0.3 . 1 . . . . 79 LYS CB . 17616 1 545 . 1 1 79 79 LYS N N 15 121.171 0.3 . 1 . . . . 79 LYS N . 17616 1 546 . 1 1 80 80 GLY H H 1 8.379 0.02 . 1 . . . . 80 GLY H . 17616 1 547 . 1 1 80 80 GLY HA2 H 1 3.993 0.02 . 1 . . . . 80 GLY HA2 . 17616 1 548 . 1 1 80 80 GLY HA3 H 1 3.993 0.02 . 1 . . . . 80 GLY HA3 . 17616 1 549 . 1 1 80 80 GLY C C 13 173.886 0.3 . 1 . . . . 80 GLY C . 17616 1 550 . 1 1 80 80 GLY CA C 13 44.856 0.3 . 1 . . . . 80 GLY CA . 17616 1 551 . 1 1 80 80 GLY N N 15 109.612 0.3 . 1 . . . . 80 GLY N . 17616 1 552 . 1 1 81 81 LYS H H 1 8.245 0.02 . 1 . . . . 81 LYS H . 17616 1 553 . 1 1 81 81 LYS HA H 1 4.427 0.02 . 1 . . . . 81 LYS HA . 17616 1 554 . 1 1 81 81 LYS HB2 H 1 1.76 0.02 . 1 . . . . 81 LYS HB2 . 17616 1 555 . 1 1 81 81 LYS HG2 H 1 1.466 0.02 . 1 . . . . 81 LYS HG2 . 17616 1 556 . 1 1 81 81 LYS HG3 H 1 1.466 0.02 . 1 . . . . 81 LYS HG3 . 17616 1 557 . 1 1 81 81 LYS C C 13 176.607 0.3 . 1 . . . . 81 LYS C . 17616 1 558 . 1 1 81 81 LYS CA C 13 56.123 0.3 . 1 . . . . 81 LYS CA . 17616 1 559 . 1 1 81 81 LYS CB C 13 33.15 0.3 . 1 . . . . 81 LYS CB . 17616 1 560 . 1 1 81 81 LYS N N 15 120.77 0.3 . 1 . . . . 81 LYS N . 17616 1 561 . 1 1 82 82 SER H H 1 8.499 0.02 . 1 . . . . 82 SER H . 17616 1 562 . 1 1 82 82 SER HA H 1 4.496 0.02 . 1 . . . . 82 SER HA . 17616 1 563 . 1 1 82 82 SER HB2 H 1 3.902 0.02 . 1 . . . . 82 SER HB2 . 17616 1 564 . 1 1 82 82 SER HB3 H 1 3.902 0.02 . 1 . . . . 82 SER HB3 . 17616 1 565 . 1 1 82 82 SER C C 13 174.463 0.3 . 1 . . . . 82 SER C . 17616 1 566 . 1 1 82 82 SER CA C 13 57.95 0.3 . 1 . . . . 82 SER CA . 17616 1 567 . 1 1 82 82 SER CB C 13 63.432 0.3 . 1 . . . . 82 SER CB . 17616 1 568 . 1 1 82 82 SER N N 15 116.786 0.3 . 1 . . . . 82 SER N . 17616 1 569 . 1 1 83 83 CYS H H 1 8.527 0.02 . 1 . . . . 83 CYS H . 17616 1 570 . 1 1 83 83 CYS HA H 1 4.575 0.02 . 1 . . . . 83 CYS HA . 17616 1 571 . 1 1 83 83 CYS HB2 H 1 3.28 0.02 . 1 . . . . 83 CYS HB2 . 17616 1 572 . 1 1 83 83 CYS HB3 H 1 3.28 0.02 . 1 . . . . 83 CYS HB3 . 17616 1 573 . 1 1 83 83 CYS CA C 13 55.94 0.3 . 1 . . . . 83 CYS CA . 17616 1 574 . 1 1 83 83 CYS CB C 13 27.645 0.3 . 1 . . . . 83 CYS CB . 17616 1 575 . 1 1 83 83 CYS N N 15 121.08 0.3 . 1 . . . . 83 CYS N . 17616 1 576 . 1 1 85 85 GLU H H 1 8.492 0.02 . 1 . . . . 85 GLU H . 17616 1 577 . 1 1 85 85 GLU HA H 1 4.321 0.02 . 1 . . . . 85 GLU HA . 17616 1 578 . 1 1 85 85 GLU HB2 H 1 1.998 0.02 . 1 . . . . 85 GLU HB2 . 17616 1 579 . 1 1 85 85 GLU HG2 H 1 2.354 0.02 . 1 . . . . 85 GLU HG2 . 17616 1 580 . 1 1 85 85 GLU HG3 H 1 2.354 0.02 . 1 . . . . 85 GLU HG3 . 17616 1 581 . 1 1 85 85 GLU C C 13 175.845 0.3 . 1 . . . . 85 GLU C . 17616 1 582 . 1 1 85 85 GLU CA C 13 56.51 0.3 . 1 . . . . 85 GLU CA . 17616 1 583 . 1 1 85 85 GLU N N 15 122.279 0.3 . 1 . . . . 85 GLU N . 17616 1 584 . 1 1 86 86 LEU H H 1 8.458 0.02 . 1 . . . . 86 LEU H . 17616 1 585 . 1 1 86 86 LEU HA H 1 4.374 0.02 . 1 . . . . 86 LEU HA . 17616 1 586 . 1 1 86 86 LEU HB2 H 1 1.651 0.02 . 1 . . . . 86 LEU HB2 . 17616 1 587 . 1 1 86 86 LEU HB3 H 1 1.651 0.02 . 1 . . . . 86 LEU HB3 . 17616 1 588 . 1 1 86 86 LEU C C 13 176.908 0.3 . 1 . . . . 86 LEU C . 17616 1 589 . 1 1 86 86 LEU CA C 13 55.06 0.3 . 1 . . . . 86 LEU CA . 17616 1 590 . 1 1 86 86 LEU CB C 13 42.083 0.3 . 1 . . . . 86 LEU CB . 17616 1 591 . 1 1 86 86 LEU N N 15 124.144 0.3 . 1 . . . . 86 LEU N . 17616 1 592 . 1 1 87 87 ILE H H 1 8.465 0.02 . 1 . . . . 87 ILE H . 17616 1 593 . 1 1 87 87 ILE HA H 1 4.321 0.02 . 1 . . . . 87 ILE HA . 17616 1 594 . 1 1 87 87 ILE HB H 1 1.897 0.02 . 1 . . . . 87 ILE HB . 17616 1 595 . 1 1 87 87 ILE C C 13 176.492 0.3 . 1 . . . . 87 ILE C . 17616 1 596 . 1 1 87 87 ILE CA C 13 61.048 0.3 . 1 . . . . 87 ILE CA . 17616 1 597 . 1 1 87 87 ILE CB C 13 38.182 0.3 . 1 . . . . 87 ILE CB . 17616 1 598 . 1 1 87 87 ILE N N 15 123.657 0.3 . 1 . . . . 87 ILE N . 17616 1 599 . 1 1 88 88 THR H H 1 8.343 0.02 . 1 . . . . 88 THR H . 17616 1 600 . 1 1 88 88 THR HA H 1 4.458 0.02 . 1 . . . . 88 THR HA . 17616 1 601 . 1 1 88 88 THR HB H 1 4.28 0.02 . 1 . . . . 88 THR HB . 17616 1 602 . 1 1 88 88 THR HG21 H 1 1.222 0.02 . 1 . . . . 88 THR HG1 . 17616 1 603 . 1 1 88 88 THR HG22 H 1 1.222 0.02 . 1 . . . . 88 THR HG1 . 17616 1 604 . 1 1 88 88 THR HG23 H 1 1.222 0.02 . 1 . . . . 88 THR HG1 . 17616 1 605 . 1 1 88 88 THR C C 13 174.276 0.3 . 1 . . . . 88 THR C . 17616 1 606 . 1 1 88 88 THR CA C 13 61.522 0.3 . 1 . . . . 88 THR CA . 17616 1 607 . 1 1 88 88 THR CB C 13 69.62 0.3 . 1 . . . . 88 THR CB . 17616 1 608 . 1 1 88 88 THR N N 15 117.954 0.3 . 1 . . . . 88 THR N . 17616 1 609 . 1 1 89 89 ASP H H 1 8.379 0.02 . 1 . . . . 89 ASP H . 17616 1 610 . 1 1 89 89 ASP HA H 1 4.669 0.02 . 1 . . . . 89 ASP HA . 17616 1 611 . 1 1 89 89 ASP HB2 H 1 2.75 0.02 . 1 . . . . 89 ASP HB2 . 17616 1 612 . 1 1 89 89 ASP C C 13 176.607 0.3 . 1 . . . . 89 ASP C . 17616 1 613 . 1 1 89 89 ASP CA C 13 54.491 0.3 . 1 . . . . 89 ASP CA . 17616 1 614 . 1 1 89 89 ASP CB C 13 41.043 0.3 . 1 . . . . 89 ASP CB . 17616 1 615 . 1 1 89 89 ASP N N 15 122.607 0.3 . 1 . . . . 89 ASP N . 17616 1 616 . 1 1 90 90 GLY H H 1 8.387 0.02 . 1 . . . . 90 GLY H . 17616 1 617 . 1 1 90 90 GLY HA2 H 1 3.98 0.02 . 1 . . . . 90 GLY HA2 . 17616 1 618 . 1 1 90 90 GLY HA3 H 1 3.98 0.02 . 1 . . . . 90 GLY HA3 . 17616 1 619 . 1 1 90 90 GLY C C 13 174.015 0.3 . 1 . . . . 90 GLY C . 17616 1 620 . 1 1 90 90 GLY CA C 13 45.484 0.3 . 1 . . . . 90 GLY CA . 17616 1 621 . 1 1 90 90 GLY N N 15 108.912 0.3 . 1 . . . . 90 GLY N . 17616 1 622 . 1 1 91 91 LEU H H 1 8.129 0.02 . 1 . . . . 91 LEU H . 17616 1 623 . 1 1 91 91 LEU HA H 1 4.376 0.02 . 1 . . . . 91 LEU HA . 17616 1 624 . 1 1 91 91 LEU HB2 H 1 1.639 0.02 . 1 . . . . 91 LEU HB2 . 17616 1 625 . 1 1 91 91 LEU HB3 H 1 1.639 0.02 . 1 . . . . 91 LEU HB3 . 17616 1 626 . 1 1 91 91 LEU C C 13 177.387 0.3 . 1 . . . . 91 LEU C . 17616 1 627 . 1 1 91 91 LEU CA C 13 55.278 0.3 . 1 . . . . 91 LEU CA . 17616 1 628 . 1 1 91 91 LEU CB C 13 42.074 0.3 . 1 . . . . 91 LEU CB . 17616 1 629 . 1 1 91 91 LEU N N 15 121.439 0.3 . 1 . . . . 91 LEU N . 17616 1 630 . 1 1 92 92 LYS H H 1 8.451 0.02 . 1 . . . . 92 LYS H . 17616 1 631 . 1 1 92 92 LYS HA H 1 4.321 0.02 . 1 . . . . 92 LYS HA . 17616 1 632 . 1 1 92 92 LYS C C 13 176.447 0.3 . 1 . . . . 92 LYS C . 17616 1 633 . 1 1 92 92 LYS CA C 13 56.401 0.3 . 1 . . . . 92 LYS CA . 17616 1 634 . 1 1 92 92 LYS CB C 13 32.771 0.3 . 1 . . . . 92 LYS CB . 17616 1 635 . 1 1 92 92 LYS N N 15 122.72 0.3 . 1 . . . . 92 LYS N . 17616 1 636 . 1 1 93 93 LYS H H 1 8.471 0.02 . 1 . . . . 93 LYS H . 17616 1 637 . 1 1 93 93 LYS HA H 1 4.338 0.02 . 1 . . . . 93 LYS HA . 17616 1 638 . 1 1 93 93 LYS HB2 H 1 1.763 0.02 . 1 . . . . 93 LYS HB2 . 17616 1 639 . 1 1 93 93 LYS C C 13 176.447 0.3 . 1 . . . . 93 LYS C . 17616 1 640 . 1 1 93 93 LYS CB C 13 32.665 0.3 . 1 . . . . 93 LYS CB . 17616 1 641 . 1 1 93 93 LYS N N 15 123.297 0.3 . 1 . . . . 93 LYS N . 17616 1 642 . 1 1 94 94 LEU H H 1 8.466 0.02 . 1 . . . . 94 LEU H . 17616 1 643 . 1 1 94 94 LEU HA H 1 4.368 0.02 . 1 . . . . 94 LEU HA . 17616 1 644 . 1 1 94 94 LEU HB2 H 1 1.656 0.02 . 1 . . . . 94 LEU HB2 . 17616 1 645 . 1 1 94 94 LEU HB3 H 1 1.656 0.02 . 1 . . . . 94 LEU HB3 . 17616 1 646 . 1 1 94 94 LEU C C 13 177.227 0.3 . 1 . . . . 94 LEU C . 17616 1 647 . 1 1 94 94 LEU CA C 13 55.011 0.3 . 1 . . . . 94 LEU CA . 17616 1 648 . 1 1 94 94 LEU CB C 13 42.058 0.3 . 1 . . . . 94 LEU CB . 17616 1 649 . 1 1 94 94 LEU N N 15 124.239 0.3 . 1 . . . . 94 LEU N . 17616 1 650 . 1 1 95 95 GLN H H 1 8.594 0.02 . 1 . . . . 95 GLN H . 17616 1 651 . 1 1 95 95 GLN HA H 1 4.382 0.02 . 1 . . . . 95 GLN HA . 17616 1 652 . 1 1 95 95 GLN HB2 H 1 2.023 0.02 . 1 . . . . 95 GLN HB2 . 17616 1 653 . 1 1 95 95 GLN HG2 H 1 2.396 0.02 . 1 . . . . 95 GLN HG2 . 17616 1 654 . 1 1 95 95 GLN HG3 H 1 2.396 0.02 . 1 . . . . 95 GLN HG3 . 17616 1 655 . 1 1 95 95 GLN C C 13 175.561 0.3 . 1 . . . . 95 GLN C . 17616 1 656 . 1 1 95 95 GLN CA C 13 55.675 0.3 . 1 . . . . 95 GLN CA . 17616 1 657 . 1 1 95 95 GLN CB C 13 29.559 0.3 . 1 . . . . 95 GLN CB . 17616 1 658 . 1 1 95 95 GLN N N 15 121.184 0.3 . 1 . . . . 95 GLN N . 17616 1 659 . 1 1 96 96 ASN H H 1 8.651 0.02 . 1 . . . . 96 ASN H . 17616 1 660 . 1 1 96 96 ASN HA H 1 4.77 0.02 . 1 . . . . 96 ASN HA . 17616 1 661 . 1 1 96 96 ASN HB2 H 1 2.889 0.02 . 1 . . . . 96 ASN HB2 . 17616 1 662 . 1 1 96 96 ASN HB3 H 1 2.889 0.02 . 2 . . . . 96 ASN HB3 . 17616 1 663 . 1 1 96 96 ASN C C 13 175.111 0.3 . 1 . . . . 96 ASN C . 17616 1 664 . 1 1 96 96 ASN CA C 13 53.159 0.3 . 1 . . . . 96 ASN CA . 17616 1 665 . 1 1 96 96 ASN CB C 13 38.473 0.3 . 1 . . . . 96 ASN CB . 17616 1 666 . 1 1 96 96 ASN N N 15 120.601 0.3 . 1 . . . . 96 ASN N . 17616 1 667 . 1 1 97 97 ILE H H 1 8.257 0.02 . 1 . . . . 97 ILE H . 17616 1 668 . 1 1 97 97 ILE HA H 1 4.239 0.02 . 1 . . . . 97 ILE HA . 17616 1 669 . 1 1 97 97 ILE HB H 1 1.922 0.02 . 1 . . . . 97 ILE HB . 17616 1 670 . 1 1 97 97 ILE HG12 H 1 0.95 0.02 . 1 . . . . 97 ILE HG12 . 17616 1 671 . 1 1 97 97 ILE HG13 H 1 0.95 0.02 . 1 . . . . 97 ILE HG13 . 17616 1 672 . 1 1 97 97 ILE C C 13 176.554 0.3 . 1 . . . . 97 ILE C . 17616 1 673 . 1 1 97 97 ILE CA C 13 61.417 0.3 . 1 . . . . 97 ILE CA . 17616 1 674 . 1 1 97 97 ILE CB C 13 38.391 0.3 . 1 . . . . 97 ILE CB . 17616 1 675 . 1 1 97 97 ILE N N 15 121.12 0.3 . 1 . . . . 97 ILE N . 17616 1 676 . 1 1 98 98 GLY H H 1 8.508 0.02 . 1 . . . . 98 GLY H . 17616 1 677 . 1 1 98 98 GLY HA2 H 1 4.042 0.02 . 1 . . . . 98 GLY HA2 . 17616 1 678 . 1 1 98 98 GLY HA3 H 1 4.042 0.02 . 1 . . . . 98 GLY HA3 . 17616 1 679 . 1 1 98 98 GLY C C 13 174.433 0.3 . 1 . . . . 98 GLY C . 17616 1 680 . 1 1 98 98 GLY CA C 13 45.004 0.3 . 1 . . . . 98 GLY CA . 17616 1 681 . 1 1 98 98 GLY N N 15 112.46 0.3 . 1 . . . . 98 GLY N . 17616 1 682 . 1 1 99 99 GLY H H 1 8.317 0.02 . 1 . . . . 99 GLY H . 17616 1 683 . 1 1 99 99 GLY HA2 H 1 4.032 0.02 . 1 . . . . 99 GLY HA2 . 17616 1 684 . 1 1 99 99 GLY HA3 H 1 4.032 0.02 . 1 . . . . 99 GLY HA3 . 17616 1 685 . 1 1 99 99 GLY C C 13 174.513 0.3 . 1 . . . . 99 GLY C . 17616 1 686 . 1 1 99 99 GLY CA C 13 45.23 0.3 . 1 . . . . 99 GLY CA . 17616 1 687 . 1 1 99 99 GLY N N 15 108.533 0.3 . 1 . . . . 99 GLY N . 17616 1 688 . 1 1 100 100 GLY H H 1 8.352 0.02 . 1 . . . . 100 GLY H . 17616 1 689 . 1 1 100 100 GLY HA2 H 1 4.029 0.02 . 1 . . . . 100 GLY HA2 . 17616 1 690 . 1 1 100 100 GLY HA3 H 1 4.029 0.02 . 1 . . . . 100 GLY HA3 . 17616 1 691 . 1 1 100 100 GLY C C 13 173.833 0.3 . 1 . . . . 100 GLY C . 17616 1 692 . 1 1 100 100 GLY CA C 13 44.83 0.3 . 1 . . . . 100 GLY CA . 17616 1 693 . 1 1 100 100 GLY N N 15 108.742 0.3 . 1 . . . . 100 GLY N . 17616 1 694 . 1 1 101 101 VAL H H 1 8.096 0.02 . 1 . . . . 101 VAL H . 17616 1 695 . 1 1 101 101 VAL HA H 1 4.171 0.02 . 1 . . . . 101 VAL HA . 17616 1 696 . 1 1 101 101 VAL HB H 1 2.106 0.02 . 1 . . . . 101 VAL HB . 17616 1 697 . 1 1 101 101 VAL HG11 H 1 0.972 0.02 . 1 . . . . 101 VAL HG1 . 17616 1 698 . 1 1 101 101 VAL HG12 H 1 0.972 0.02 . 1 . . . . 101 VAL HG1 . 17616 1 699 . 1 1 101 101 VAL HG13 H 1 0.972 0.02 . 1 . . . . 101 VAL HG1 . 17616 1 700 . 1 1 101 101 VAL HG21 H 1 0.972 0.02 . 1 . . . . 101 VAL HG2 . 17616 1 701 . 1 1 101 101 VAL HG22 H 1 0.972 0.02 . 1 . . . . 101 VAL HG2 . 17616 1 702 . 1 1 101 101 VAL HG23 H 1 0.972 0.02 . 1 . . . . 101 VAL HG2 . 17616 1 703 . 1 1 101 101 VAL C C 13 175.853 0.3 . 1 . . . . 101 VAL C . 17616 1 704 . 1 1 101 101 VAL CA C 13 62.13 0.3 . 1 . . . . 101 VAL CA . 17616 1 705 . 1 1 101 101 VAL CB C 13 32.561 0.3 . 1 . . . . 101 VAL CB . 17616 1 706 . 1 1 101 101 VAL N N 15 119.175 0.3 . 1 . . . . 101 VAL N . 17616 1 707 . 1 1 102 102 ALA H H 1 8.424 0.02 . 1 . . . . 102 ALA H . 17616 1 708 . 1 1 102 102 ALA HA H 1 4.364 0.02 . 1 . . . . 102 ALA HA . 17616 1 709 . 1 1 102 102 ALA HB1 H 1 1.426 0.02 . 1 . . . . 102 ALA HB . 17616 1 710 . 1 1 102 102 ALA HB2 H 1 1.426 0.02 . 1 . . . . 102 ALA HB . 17616 1 711 . 1 1 102 102 ALA HB3 H 1 1.426 0.02 . 1 . . . . 102 ALA HB . 17616 1 712 . 1 1 102 102 ALA C C 13 177.068 0.3 . 1 . . . . 102 ALA C . 17616 1 713 . 1 1 102 102 ALA CA C 13 52.156 0.3 . 1 . . . . 102 ALA CA . 17616 1 714 . 1 1 102 102 ALA CB C 13 18.793 0.3 . 1 . . . . 102 ALA CB . 17616 1 715 . 1 1 102 102 ALA N N 15 127.871 0.3 . 1 . . . . 102 ALA N . 17616 1 716 . 1 1 103 103 ALA H H 1 8.246 0.02 . 1 . . . . 103 ALA H . 17616 1 717 . 1 1 103 103 ALA HA H 1 4.323 0.02 . 1 . . . . 103 ALA HA . 17616 1 718 . 1 1 103 103 ALA HB1 H 1 1.411 0.02 . 1 . . . . 103 ALA HB . 17616 1 719 . 1 1 103 103 ALA HB2 H 1 1.411 0.02 . 1 . . . . 103 ALA HB . 17616 1 720 . 1 1 103 103 ALA HB3 H 1 1.411 0.02 . 1 . . . . 103 ALA HB . 17616 1 721 . 1 1 103 103 ALA C C 13 176.961 0.3 . 1 . . . . 103 ALA C . 17616 1 722 . 1 1 103 103 ALA CA C 13 52.074 0.3 . 1 . . . . 103 ALA CA . 17616 1 723 . 1 1 103 103 ALA N N 15 123.756 0.3 . 1 . . . . 103 ALA N . 17616 1 724 . 1 1 104 104 ALA H H 1 8.321 0.02 . 1 . . . . 104 ALA H . 17616 1 725 . 1 1 104 104 ALA HA H 1 4.592 0.02 . 1 . . . . 104 ALA HA . 17616 1 726 . 1 1 104 104 ALA HB1 H 1 1.401 0.02 . 1 . . . . 104 ALA HB . 17616 1 727 . 1 1 104 104 ALA HB2 H 1 1.401 0.02 . 1 . . . . 104 ALA HB . 17616 1 728 . 1 1 104 104 ALA HB3 H 1 1.401 0.02 . 1 . . . . 104 ALA HB . 17616 1 729 . 1 1 104 104 ALA C C 13 175.268 0.3 . 1 . . . . 104 ALA C . 17616 1 730 . 1 1 104 104 ALA CA C 13 50.435 0.3 . 1 . . . . 104 ALA CA . 17616 1 731 . 1 1 104 104 ALA CB C 13 17.607 0.3 . 1 . . . . 104 ALA CB . 17616 1 732 . 1 1 104 104 ALA N N 15 124.62 0.3 . 1 . . . . 104 ALA N . 17616 1 733 . 1 1 106 106 ALA H H 1 8.465 0.02 . 1 . . . . 106 ALA H . 17616 1 734 . 1 1 106 106 ALA HA H 1 4.358 0.02 . 1 . . . . 106 ALA HA . 17616 1 735 . 1 1 106 106 ALA HB1 H 1 1.44 0.02 . 1 . . . . 106 ALA HB . 17616 1 736 . 1 1 106 106 ALA HB2 H 1 1.44 0.02 . 1 . . . . 106 ALA HB . 17616 1 737 . 1 1 106 106 ALA HB3 H 1 1.44 0.02 . 1 . . . . 106 ALA HB . 17616 1 738 . 1 1 106 106 ALA C C 13 178.202 0.3 . 1 . . . . 106 ALA C . 17616 1 739 . 1 1 106 106 ALA CA C 13 52.614 0.3 . 1 . . . . 106 ALA CA . 17616 1 740 . 1 1 106 106 ALA CB C 13 18.809 0.3 . 1 . . . . 106 ALA CB . 17616 1 741 . 1 1 106 106 ALA N N 15 124.566 0.3 . 1 . . . . 106 ALA N . 17616 1 742 . 1 1 107 107 GLY H H 1 8.388 0.02 . 1 . . . . 107 GLY H . 17616 1 743 . 1 1 107 107 GLY HA2 H 1 3.978 0.02 . 1 . . . . 107 GLY HA2 . 17616 1 744 . 1 1 107 107 GLY HA3 H 1 3.978 0.02 . 1 . . . . 107 GLY HA3 . 17616 1 745 . 1 1 107 107 GLY C C 13 173.726 0.3 . 1 . . . . 107 GLY C . 17616 1 746 . 1 1 107 107 GLY CA C 13 44.974 0.3 . 1 . . . . 107 GLY CA . 17616 1 747 . 1 1 107 107 GLY N N 15 108.293 0.3 . 1 . . . . 107 GLY N . 17616 1 748 . 1 1 108 108 ALA H H 1 8.158 0.02 . 1 . . . . 108 ALA H . 17616 1 749 . 1 1 108 108 ALA HA H 1 4.365 0.02 . 1 . . . . 108 ALA HA . 17616 1 750 . 1 1 108 108 ALA HB1 H 1 1.421 0.02 . 1 . . . . 108 ALA HB . 17616 1 751 . 1 1 108 108 ALA HB2 H 1 1.421 0.02 . 1 . . . . 108 ALA HB . 17616 1 752 . 1 1 108 108 ALA HB3 H 1 1.421 0.02 . 1 . . . . 108 ALA HB . 17616 1 753 . 1 1 108 108 ALA C C 13 177.394 0.3 . 1 . . . . 108 ALA C . 17616 1 754 . 1 1 108 108 ALA CA C 13 52.279 0.3 . 1 . . . . 108 ALA CA . 17616 1 755 . 1 1 108 108 ALA CB C 13 19.185 0.3 . 1 . . . . 108 ALA CB . 17616 1 756 . 1 1 108 108 ALA N N 15 123.67 0.3 . 1 . . . . 108 ALA N . 17616 1 757 . 1 1 109 109 ALA H H 1 8.32 0.02 . 1 . . . . 109 ALA H . 17616 1 758 . 1 1 109 109 ALA HA H 1 4.323 0.02 . 1 . . . . 109 ALA HA . 17616 1 759 . 1 1 109 109 ALA HB1 H 1 1.425 0.02 . 1 . . . . 109 ALA HB . 17616 1 760 . 1 1 109 109 ALA HB2 H 1 1.425 0.02 . 1 . . . . 109 ALA HB . 17616 1 761 . 1 1 109 109 ALA HB3 H 1 1.425 0.02 . 1 . . . . 109 ALA HB . 17616 1 762 . 1 1 109 109 ALA C C 13 177.351 0.3 . 1 . . . . 109 ALA C . 17616 1 763 . 1 1 109 109 ALA CA C 13 52.263 0.3 . 1 . . . . 109 ALA CA . 17616 1 764 . 1 1 109 109 ALA CB C 13 19.006 0.3 . 1 . . . . 109 ALA CB . 17616 1 765 . 1 1 109 109 ALA N N 15 123.266 0.3 . 1 . . . . 109 ALA N . 17616 1 766 . 1 1 110 110 ALA H H 1 8.295 0.02 . 1 . . . . 110 ALA H . 17616 1 767 . 1 1 110 110 ALA HA H 1 4.365 0.02 . 1 . . . . 110 ALA HA . 17616 1 768 . 1 1 110 110 ALA HB1 H 1 1.426 0.02 . 1 . . . . 110 ALA HB . 17616 1 769 . 1 1 110 110 ALA HB2 H 1 1.426 0.02 . 1 . . . . 110 ALA HB . 17616 1 770 . 1 1 110 110 ALA HB3 H 1 1.426 0.02 . 1 . . . . 110 ALA HB . 17616 1 771 . 1 1 110 110 ALA C C 13 177.546 0.3 . 1 . . . . 110 ALA C . 17616 1 772 . 1 1 110 110 ALA CA C 13 52.331 0.3 . 1 . . . . 110 ALA CA . 17616 1 773 . 1 1 110 110 ALA CB C 13 18.532 0.3 . 1 . . . . 110 ALA CB . 17616 1 774 . 1 1 110 110 ALA N N 15 123.623 0.3 . 1 . . . . 110 ALA N . 17616 1 775 . 1 1 111 111 VAL H H 1 8.139 0.02 . 1 . . . . 111 VAL H . 17616 1 776 . 1 1 111 111 VAL HA H 1 4.146 0.02 . 1 . . . . 111 VAL HA . 17616 1 777 . 1 1 111 111 VAL HB H 1 2.106 0.02 . 1 . . . . 111 VAL HB . 17616 1 778 . 1 1 111 111 VAL HG11 H 1 0.979 0.02 . 1 . . . . 111 VAL HG1 . 17616 1 779 . 1 1 111 111 VAL HG12 H 1 0.979 0.02 . 1 . . . . 111 VAL HG1 . 17616 1 780 . 1 1 111 111 VAL HG13 H 1 0.979 0.02 . 1 . . . . 111 VAL HG1 . 17616 1 781 . 1 1 111 111 VAL HG21 H 1 0.979 0.02 . 1 . . . . 111 VAL HG2 . 17616 1 782 . 1 1 111 111 VAL HG22 H 1 0.979 0.02 . 1 . . . . 111 VAL HG2 . 17616 1 783 . 1 1 111 111 VAL HG23 H 1 0.979 0.02 . 1 . . . . 111 VAL HG2 . 17616 1 784 . 1 1 111 111 VAL C C 13 176.101 0.3 . 1 . . . . 111 VAL C . 17616 1 785 . 1 1 111 111 VAL CA C 13 62.326 0.3 . 1 . . . . 111 VAL CA . 17616 1 786 . 1 1 111 111 VAL CB C 13 32.558 0.3 . 1 . . . . 111 VAL CB . 17616 1 787 . 1 1 111 111 VAL N N 15 119.246 0.3 . 1 . . . . 111 VAL N . 17616 1 788 . 1 1 112 112 GLU H H 1 8.577 0.02 . 1 . . . . 112 GLU H . 17616 1 789 . 1 1 112 112 GLU HA H 1 4.426 0.02 . 1 . . . . 112 GLU HA . 17616 1 790 . 1 1 112 112 GLU HB2 H 1 2.008 0.02 . 1 . . . . 112 GLU HB2 . 17616 1 791 . 1 1 112 112 GLU HG2 H 1 2.347 0.02 . 1 . . . . 112 GLU HG2 . 17616 1 792 . 1 1 112 112 GLU HG3 H 1 2.347 0.02 . 1 . . . . 112 GLU HG3 . 17616 1 793 . 1 1 112 112 GLU C C 13 176.412 0.3 . 1 . . . . 112 GLU C . 17616 1 794 . 1 1 112 112 GLU CA C 13 56.403 0.3 . 1 . . . . 112 GLU CA . 17616 1 795 . 1 1 112 112 GLU CB C 13 29.833 0.3 . 1 . . . . 112 GLU CB . 17616 1 796 . 1 1 112 112 GLU N N 15 124.489 0.3 . 1 . . . . 112 GLU N . 17616 1 797 . 1 1 113 113 THR H H 1 8.247 0.02 . 1 . . . . 113 THR H . 17616 1 798 . 1 1 113 113 THR HA H 1 4.372 0.02 . 1 . . . . 113 THR HA . 17616 1 799 . 1 1 113 113 THR HG21 H 1 1.258 0.02 . 1 . . . . 113 THR HG1 . 17616 1 800 . 1 1 113 113 THR HG22 H 1 1.258 0.02 . 1 . . . . 113 THR HG1 . 17616 1 801 . 1 1 113 113 THR HG23 H 1 1.258 0.02 . 1 . . . . 113 THR HG1 . 17616 1 802 . 1 1 113 113 THR C C 13 174.24 0.3 . 1 . . . . 113 THR C . 17616 1 803 . 1 1 113 113 THR CA C 13 61.376 0.3 . 1 . . . . 113 THR CA . 17616 1 804 . 1 1 113 113 THR CB C 13 69.632 0.3 . 1 . . . . 113 THR CB . 17616 1 805 . 1 1 113 113 THR N N 15 115.393 0.3 . 1 . . . . 113 THR N . 17616 1 806 . 1 1 114 114 ALA H H 1 8.409 0.02 . 1 . . . . 114 ALA H . 17616 1 807 . 1 1 114 114 ALA HA H 1 4.399 0.02 . 1 . . . . 114 ALA HA . 17616 1 808 . 1 1 114 114 ALA HB1 H 1 1.439 0.02 . 1 . . . . 114 ALA HB . 17616 1 809 . 1 1 114 114 ALA HB2 H 1 1.439 0.02 . 1 . . . . 114 ALA HB . 17616 1 810 . 1 1 114 114 ALA HB3 H 1 1.439 0.02 . 1 . . . . 114 ALA HB . 17616 1 811 . 1 1 114 114 ALA C C 13 177.583 0.3 . 1 . . . . 114 ALA C . 17616 1 812 . 1 1 114 114 ALA CA C 13 52.63 0.3 . 1 . . . . 114 ALA CA . 17616 1 813 . 1 1 114 114 ALA CB C 13 18.802 0.3 . 1 . . . . 114 ALA CB . 17616 1 814 . 1 1 114 114 ALA N N 15 126.202 0.3 . 1 . . . . 114 ALA N . 17616 1 815 . 1 1 115 115 GLU H H 1 8.393 0.02 . 1 . . . . 115 GLU H . 17616 1 816 . 1 1 115 115 GLU HA H 1 4.271 0.02 . 1 . . . . 115 GLU HA . 17616 1 817 . 1 1 115 115 GLU HB2 H 1 1.996 0.02 . 1 . . . . 115 GLU HB2 . 17616 1 818 . 1 1 115 115 GLU HB3 H 1 2.351 0.02 . 2 . . . . 115 GLU HB3 . 17616 1 819 . 1 1 115 115 GLU C C 13 176.075 0.3 . 1 . . . . 115 GLU C . 17616 1 820 . 1 1 115 115 GLU CA C 13 56.405 0.3 . 1 . . . . 115 GLU CA . 17616 1 821 . 1 1 115 115 GLU CB C 13 29.907 0.3 . 1 . . . . 115 GLU CB . 17616 1 822 . 1 1 115 115 GLU N N 15 120.136 0.3 . 1 . . . . 115 GLU N . 17616 1 823 . 1 1 116 116 ALA H H 1 8.337 0.02 . 1 . . . . 116 ALA H . 17616 1 824 . 1 1 116 116 ALA HA H 1 4.33 0.02 . 1 . . . . 116 ALA HA . 17616 1 825 . 1 1 116 116 ALA HB1 H 1 1.427 0.02 . 1 . . . . 116 ALA HB . 17616 1 826 . 1 1 116 116 ALA HB2 H 1 1.427 0.02 . 1 . . . . 116 ALA HB . 17616 1 827 . 1 1 116 116 ALA HB3 H 1 1.427 0.02 . 1 . . . . 116 ALA HB . 17616 1 828 . 1 1 116 116 ALA C C 13 177.581 0.3 . 1 . . . . 116 ALA C . 17616 1 829 . 1 1 116 116 ALA CA C 13 52.398 0.3 . 1 . . . . 116 ALA CA . 17616 1 830 . 1 1 116 116 ALA CB C 13 18.763 0.3 . 1 . . . . 116 ALA CB . 17616 1 831 . 1 1 116 116 ALA N N 15 125.493 0.3 . 1 . . . . 116 ALA N . 17616 1 832 . 1 1 117 117 LYS H H 1 8.378 0.02 . 1 . . . . 117 LYS H . 17616 1 833 . 1 1 117 117 LYS HA H 1 4.321 0.02 . 1 . . . . 117 LYS HA . 17616 1 834 . 1 1 117 117 LYS HB2 H 1 1.821 0.02 . 1 . . . . 117 LYS HB2 . 17616 1 835 . 1 1 117 117 LYS HB3 H 1 1.821 0.02 . 1 . . . . 117 LYS HB3 . 17616 1 836 . 1 1 117 117 LYS C C 13 176.554 0.3 . 1 . . . . 117 LYS C . 17616 1 837 . 1 1 117 117 LYS CA C 13 56.26 0.3 . 1 . . . . 117 LYS CA . 17616 1 838 . 1 1 117 117 LYS CB C 13 32.745 0.3 . 1 . . . . 117 LYS CB . 17616 1 839 . 1 1 117 117 LYS N N 15 121.378 0.3 . 1 . . . . 117 LYS N . 17616 1 840 . 1 1 118 118 LYS H H 1 8.555 0.02 . 1 . . . . 118 LYS H . 17616 1 841 . 1 1 118 118 LYS HA H 1 4.359 0.02 . 1 . . . . 118 LYS HA . 17616 1 842 . 1 1 118 118 LYS HB2 H 1 1.818 0.02 . 1 . . . . 118 LYS HB2 . 17616 1 843 . 1 1 118 118 LYS HB3 H 1 1.818 0.02 . 1 . . . . 118 LYS HB3 . 17616 1 844 . 1 1 118 118 LYS HG2 H 1 1.457 0.02 . 1 . . . . 118 LYS HG2 . 17616 1 845 . 1 1 118 118 LYS HG3 H 1 1.457 0.02 . 1 . . . . 118 LYS HG3 . 17616 1 846 . 1 1 118 118 LYS C C 13 176.463 0.3 . 1 . . . . 118 LYS C . 17616 1 847 . 1 1 118 118 LYS CA C 13 56.345 0.3 . 1 . . . . 118 LYS CA . 17616 1 848 . 1 1 118 118 LYS CB C 13 32.864 0.3 . 1 . . . . 118 LYS CB . 17616 1 849 . 1 1 118 118 LYS N N 15 123.95 0.3 . 1 . . . . 118 LYS N . 17616 1 850 . 1 1 119 119 GLU H H 1 8.624 0.02 . 1 . . . . 119 GLU H . 17616 1 851 . 1 1 119 119 GLU HA H 1 4.357 0.02 . 1 . . . . 119 GLU HA . 17616 1 852 . 1 1 119 119 GLU HB2 H 1 1.958 0.02 . 1 . . . . 119 GLU HB2 . 17616 1 853 . 1 1 119 119 GLU HG2 H 1 2.316 0.02 . 1 . . . . 119 GLU HG2 . 17616 1 854 . 1 1 119 119 GLU HG3 H 1 2.316 0.02 . 1 . . . . 119 GLU HG3 . 17616 1 855 . 1 1 119 119 GLU C C 13 175.898 0.3 . 1 . . . . 119 GLU C . 17616 1 856 . 1 1 119 119 GLU CA C 13 56.244 0.3 . 1 . . . . 119 GLU CA . 17616 1 857 . 1 1 119 119 GLU CB C 13 30.065 0.3 . 1 . . . . 119 GLU CB . 17616 1 858 . 1 1 119 119 GLU N N 15 122.464 0.3 . 1 . . . . 119 GLU N . 17616 1 859 . 1 1 121 121 LYS H H 1 8.383 0.02 . 1 . . . . 121 LYS H . 17616 1 860 . 1 1 121 121 LYS HA H 1 4.347 0.02 . 1 . . . . 121 LYS HA . 17616 1 861 . 1 1 121 121 LYS HB2 H 1 1.757 0.02 . 1 . . . . 121 LYS HB2 . 17616 1 862 . 1 1 121 121 LYS HG2 H 1 1.44 0.02 . 1 . . . . 121 LYS HG2 . 17616 1 863 . 1 1 121 121 LYS HG3 H 1 1.44 0.02 . 1 . . . . 121 LYS HG3 . 17616 1 864 . 1 1 121 121 LYS C C 13 176.359 0.3 . 1 . . . . 121 LYS C . 17616 1 865 . 1 1 121 121 LYS CA C 13 56.306 0.3 . 1 . . . . 121 LYS CA . 17616 1 866 . 1 1 121 121 LYS CB C 13 32.791 0.3 . 1 . . . . 121 LYS CB . 17616 1 867 . 1 1 121 121 LYS N N 15 122.225 0.3 . 1 . . . . 121 LYS N . 17616 1 868 . 1 1 122 122 LYS H H 1 8.54 0.02 . 1 . . . . 122 LYS H . 17616 1 869 . 1 1 122 122 LYS HA H 1 4.35 0.02 . 1 . . . . 122 LYS HA . 17616 1 870 . 1 1 122 122 LYS HB2 H 1 1.811 0.02 . 1 . . . . 122 LYS HB2 . 17616 1 871 . 1 1 122 122 LYS HB3 H 1 1.811 0.02 . 1 . . . . 122 LYS HB3 . 17616 1 872 . 1 1 122 122 LYS HG2 H 1 1.459 0.02 . 1 . . . . 122 LYS HG2 . 17616 1 873 . 1 1 122 122 LYS HG3 H 1 1.459 0.02 . 1 . . . . 122 LYS HG3 . 17616 1 874 . 1 1 122 122 LYS C C 13 176.501 0.3 . 1 . . . . 122 LYS C . 17616 1 875 . 1 1 122 122 LYS CA C 13 56.351 0.3 . 1 . . . . 122 LYS CA . 17616 1 876 . 1 1 122 122 LYS CB C 13 32.865 0.3 . 1 . . . . 122 LYS CB . 17616 1 877 . 1 1 122 122 LYS N N 15 123.433 0.3 . 1 . . . . 122 LYS N . 17616 1 878 . 1 1 123 123 GLU H H 1 8.574 0.02 . 1 . . . . 123 GLU H . 17616 1 879 . 1 1 123 123 GLU HA H 1 4.343 0.02 . 1 . . . . 123 GLU HA . 17616 1 880 . 1 1 123 123 GLU HB2 H 1 1.973 0.02 . 1 . . . . 123 GLU HB2 . 17616 1 881 . 1 1 123 123 GLU HG2 H 1 2.316 0.02 . 1 . . . . 123 GLU HG2 . 17616 1 882 . 1 1 123 123 GLU HG3 H 1 2.316 0.02 . 1 . . . . 123 GLU HG3 . 17616 1 883 . 1 1 123 123 GLU C C 13 176.165 0.3 . 1 . . . . 123 GLU C . 17616 1 884 . 1 1 123 123 GLU CA C 13 56.323 0.3 . 1 . . . . 123 GLU CA . 17616 1 885 . 1 1 123 123 GLU CB C 13 29.912 0.3 . 1 . . . . 123 GLU CB . 17616 1 886 . 1 1 123 123 GLU N N 15 122.445 0.3 . 1 . . . . 123 GLU N . 17616 1 887 . 1 1 124 124 GLU H H 1 8.53 0.02 . 1 . . . . 124 GLU H . 17616 1 888 . 1 1 124 124 GLU HA H 1 4.347 0.02 . 1 . . . . 124 GLU HA . 17616 1 889 . 1 1 124 124 GLU HB2 H 1 1.984 0.02 . 1 . . . . 124 GLU HB2 . 17616 1 890 . 1 1 124 124 GLU HG2 H 1 2.349 0.02 . 1 . . . . 124 GLU HG2 . 17616 1 891 . 1 1 124 124 GLU HG3 H 1 2.349 0.02 . 1 . . . . 124 GLU HG3 . 17616 1 892 . 1 1 124 124 GLU C C 13 176.097 0.3 . 1 . . . . 124 GLU C . 17616 1 893 . 1 1 124 124 GLU CA C 13 56.203 0.3 . 1 . . . . 124 GLU CA . 17616 1 894 . 1 1 124 124 GLU N N 15 122.925 0.3 . 1 . . . . 124 GLU N . 17616 1 895 . 1 1 125 125 LYS H H 1 8.508 0.02 . 1 . . . . 125 LYS H . 17616 1 896 . 1 1 125 125 LYS HA H 1 4.361 0.02 . 1 . . . . 125 LYS HA . 17616 1 897 . 1 1 125 125 LYS HB2 H 1 1.804 0.02 . 1 . . . . 125 LYS HB2 . 17616 1 898 . 1 1 125 125 LYS HB3 H 1 1.804 0.02 . 1 . . . . 125 LYS HB3 . 17616 1 899 . 1 1 125 125 LYS C C 13 176.348 0.3 . 1 . . . . 125 LYS C . 17616 1 900 . 1 1 125 125 LYS CA C 13 56.246 0.3 . 1 . . . . 125 LYS CA . 17616 1 901 . 1 1 125 125 LYS CB C 13 32.834 0.3 . 1 . . . . 125 LYS CB . 17616 1 902 . 1 1 125 125 LYS N N 15 123.472 0.3 . 1 . . . . 125 LYS N . 17616 1 903 . 1 1 126 126 LYS H H 1 8.597 0.02 . 1 . . . . 126 LYS H . 17616 1 904 . 1 1 126 126 LYS HA H 1 4.375 0.02 . 1 . . . . 126 LYS HA . 17616 1 905 . 1 1 126 126 LYS HB2 H 1 1.797 0.02 . 1 . . . . 126 LYS HB2 . 17616 1 906 . 1 1 126 126 LYS HB3 H 1 1.797 0.02 . 1 . . . . 126 LYS HB3 . 17616 1 907 . 1 1 126 126 LYS HG2 H 1 1.478 0.02 . 1 . . . . 126 LYS HG2 . 17616 1 908 . 1 1 126 126 LYS HG3 H 1 1.478 0.02 . 1 . . . . 126 LYS HG3 . 17616 1 909 . 1 1 126 126 LYS C C 13 176.607 0.3 . 1 . . . . 126 LYS C . 17616 1 910 . 1 1 126 126 LYS CA C 13 56.315 0.3 . 1 . . . . 126 LYS CA . 17616 1 911 . 1 1 126 126 LYS CB C 13 32.891 0.3 . 1 . . . . 126 LYS CB . 17616 1 912 . 1 1 126 126 LYS N N 15 124.138 0.3 . 1 . . . . 126 LYS N . 17616 1 913 . 1 1 127 127 GLU H H 1 8.676 0.02 . 1 . . . . 127 GLU H . 17616 1 914 . 1 1 127 127 GLU HA H 1 4.327 0.02 . 1 . . . . 127 GLU HA . 17616 1 915 . 1 1 127 127 GLU HB2 H 1 1.973 0.02 . 1 . . . . 127 GLU HB2 . 17616 1 916 . 1 1 127 127 GLU HB3 H 1 1.973 0.02 . 1 . . . . 127 GLU HB3 . 17616 1 917 . 1 1 127 127 GLU HG2 H 1 2.367 0.02 . 1 . . . . 127 GLU HG2 . 17616 1 918 . 1 1 127 127 GLU HG3 H 1 2.367 0.02 . 1 . . . . 127 GLU HG3 . 17616 1 919 . 1 1 127 127 GLU C C 13 176.323 0.3 . 1 . . . . 127 GLU C . 17616 1 920 . 1 1 127 127 GLU CA C 13 56.546 0.3 . 1 . . . . 127 GLU CA . 17616 1 921 . 1 1 127 127 GLU CB C 13 29.536 0.3 . 1 . . . . 127 GLU CB . 17616 1 922 . 1 1 127 127 GLU N N 15 122.63 0.3 . 1 . . . . 127 GLU N . 17616 1 923 . 1 1 128 128 GLU H H 1 8.54 0.02 . 1 . . . . 128 GLU H . 17616 1 924 . 1 1 128 128 GLU HA H 1 4.349 0.02 . 1 . . . . 128 GLU HA . 17616 1 925 . 1 1 128 128 GLU HB2 H 1 1.986 0.02 . 1 . . . . 128 GLU HB2 . 17616 1 926 . 1 1 128 128 GLU HG2 H 1 2.356 0.02 . 1 . . . . 128 GLU HG2 . 17616 1 927 . 1 1 128 128 GLU HG3 H 1 2.356 0.02 . 1 . . . . 128 GLU HG3 . 17616 1 928 . 1 1 128 128 GLU CA C 13 56.521 0.3 . 1 . . . . 128 GLU CA . 17616 1 929 . 1 1 128 128 GLU CB C 13 29.611 0.3 . 1 . . . . 128 GLU CB . 17616 1 930 . 1 1 128 128 GLU N N 15 121.471 0.3 . 1 . . . . 128 GLU N . 17616 1 931 . 1 1 132 132 GLU H H 1 8.67 0.02 . 1 . . . . 132 GLU H . 17616 1 932 . 1 1 132 132 GLU HA H 1 4.727 0.02 . 1 . . . . 132 GLU HA . 17616 1 933 . 1 1 132 132 GLU C C 13 174.162 0.3 . 1 . . . . 132 GLU C . 17616 1 934 . 1 1 132 132 GLU CA C 13 55.432 0.3 . 1 . . . . 132 GLU CA . 17616 1 935 . 1 1 132 132 GLU CB C 13 29.277 0.3 . 1 . . . . 132 GLU CB . 17616 1 936 . 1 1 132 132 GLU N N 15 121.102 0.3 . 1 . . . . 132 GLU N . 17616 1 937 . 1 1 133 133 GLU H H 1 8.529 0.02 . 1 . . . . 133 GLU H . 17616 1 938 . 1 1 133 133 GLU HA H 1 4.359 0.02 . 1 . . . . 133 GLU HA . 17616 1 939 . 1 1 133 133 GLU HB2 H 1 2.003 0.02 . 1 . . . . 133 GLU HB2 . 17616 1 940 . 1 1 133 133 GLU HB3 H 1 2.003 0.02 . 1 . . . . 133 GLU HB3 . 17616 1 941 . 1 1 133 133 GLU HG2 H 1 2.389 0.02 . 1 . . . . 133 GLU HG2 . 17616 1 942 . 1 1 133 133 GLU HG3 H 1 2.389 0.02 . 1 . . . . 133 GLU HG3 . 17616 1 943 . 1 1 133 133 GLU C C 13 175.898 0.3 . 1 . . . . 133 GLU C . 17616 1 944 . 1 1 133 133 GLU CA C 13 55.933 0.3 . 1 . . . . 133 GLU CA . 17616 1 945 . 1 1 133 133 GLU CB C 13 29.923 0.3 . 1 . . . . 133 GLU CB . 17616 1 946 . 1 1 133 133 GLU N N 15 122.345 0.3 . 1 . . . . 133 GLU N . 17616 1 947 . 1 1 134 134 ASP H H 1 8.497 0.02 . 1 . . . . 134 ASP H . 17616 1 948 . 1 1 134 134 ASP HA H 1 4.664 0.02 . 1 . . . . 134 ASP HA . 17616 1 949 . 1 1 134 134 ASP HB2 H 1 2.734 0.02 . 1 . . . . 134 ASP HB2 . 17616 1 950 . 1 1 134 134 ASP C C 13 175.751 0.3 . 1 . . . . 134 ASP C . 17616 1 951 . 1 1 134 134 ASP CA C 13 53.749 0.3 . 1 . . . . 134 ASP CA . 17616 1 952 . 1 1 134 134 ASP CB C 13 40.814 0.3 . 1 . . . . 134 ASP CB . 17616 1 953 . 1 1 134 134 ASP N N 15 121.423 0.3 . 1 . . . . 134 ASP N . 17616 1 954 . 1 1 135 135 ASP H H 1 8.449 0.02 . 1 . . . . 135 ASP H . 17616 1 955 . 1 1 135 135 ASP HA H 1 4.658 0.02 . 1 . . . . 135 ASP HA . 17616 1 956 . 1 1 135 135 ASP HB2 H 1 2.768 0.02 . 1 . . . . 135 ASP HB2 . 17616 1 957 . 1 1 135 135 ASP C C 13 176.258 0.3 . 1 . . . . 135 ASP C . 17616 1 958 . 1 1 135 135 ASP CA C 13 53.728 0.3 . 1 . . . . 135 ASP CA . 17616 1 959 . 1 1 135 135 ASP CB C 13 40.474 0.3 . 1 . . . . 135 ASP CB . 17616 1 960 . 1 1 135 135 ASP N N 15 120.553 0.3 . 1 . . . . 135 ASP N . 17616 1 961 . 1 1 136 136 LEU H H 1 8.289 0.02 . 1 . . . . 136 LEU H . 17616 1 962 . 1 1 136 136 LEU HA H 1 4.32 0.02 . 1 . . . . 136 LEU HA . 17616 1 963 . 1 1 136 136 LEU HB2 H 1 1.656 0.02 . 1 . . . . 136 LEU HB2 . 17616 1 964 . 1 1 136 136 LEU HB3 H 1 1.656 0.02 . 1 . . . . 136 LEU HB3 . 17616 1 965 . 1 1 136 136 LEU C C 13 177.9 0.3 . 1 . . . . 136 LEU C . 17616 1 966 . 1 1 136 136 LEU CA C 13 55.523 0.3 . 1 . . . . 136 LEU CA . 17616 1 967 . 1 1 136 136 LEU CB C 13 41.908 0.3 . 1 . . . . 136 LEU CB . 17616 1 968 . 1 1 136 136 LEU N N 15 122.406 0.3 . 1 . . . . 136 LEU N . 17616 1 969 . 1 1 137 137 GLY H H 1 8.393 0.02 . 1 . . . . 137 GLY H . 17616 1 970 . 1 1 137 137 GLY HA2 H 1 3.986 0.02 . 1 . . . . 137 GLY HA2 . 17616 1 971 . 1 1 137 137 GLY HA3 H 1 3.986 0.02 . 1 . . . . 137 GLY HA3 . 17616 1 972 . 1 1 137 137 GLY C C 13 173.806 0.3 . 1 . . . . 137 GLY C . 17616 1 973 . 1 1 137 137 GLY CA C 13 44.96 0.3 . 1 . . . . 137 GLY CA . 17616 1 974 . 1 1 137 137 GLY N N 15 108.402 0.3 . 1 . . . . 137 GLY N . 17616 1 975 . 1 1 138 138 PHE H H 1 8.051 0.02 . 1 . . . . 138 PHE H . 17616 1 976 . 1 1 138 138 PHE HA H 1 4.663 0.02 . 1 . . . . 138 PHE HA . 17616 1 977 . 1 1 138 138 PHE HB2 H 1 3.13 0.02 . 1 . . . . 138 PHE HB2 . 17616 1 978 . 1 1 138 138 PHE HB3 H 1 3.13 0.02 . 2 . . . . 138 PHE HB3 . 17616 1 979 . 1 1 138 138 PHE C C 13 175.658 0.3 . 1 . . . . 138 PHE C . 17616 1 980 . 1 1 138 138 PHE CA C 13 57.679 0.3 . 1 . . . . 138 PHE CA . 17616 1 981 . 1 1 138 138 PHE CB C 13 39.494 0.3 . 1 . . . . 138 PHE CB . 17616 1 982 . 1 1 138 138 PHE N N 15 119.735 0.3 . 1 . . . . 138 PHE N . 17616 1 983 . 1 1 139 139 SER H H 1 8.389 0.02 . 1 . . . . 139 SER H . 17616 1 984 . 1 1 139 139 SER HA H 1 4.476 0.02 . 1 . . . . 139 SER HA . 17616 1 985 . 1 1 139 139 SER HB2 H 1 3.814 0.02 . 1 . . . . 139 SER HB2 . 17616 1 986 . 1 1 139 139 SER HB3 H 1 3.814 0.02 . 1 . . . . 139 SER HB3 . 17616 1 987 . 1 1 139 139 SER C C 13 174.364 0.3 . 1 . . . . 139 SER C . 17616 1 988 . 1 1 139 139 SER CA C 13 57.608 0.3 . 1 . . . . 139 SER CA . 17616 1 989 . 1 1 139 139 SER CB C 13 63.755 0.3 . 1 . . . . 139 SER CB . 17616 1 990 . 1 1 139 139 SER N N 15 117.446 0.3 . 1 . . . . 139 SER N . 17616 1 991 . 1 1 140 140 LEU H H 1 8.301 0.02 . 1 . . . . 140 LEU H . 17616 1 992 . 1 1 140 140 LEU HA H 1 4.257 0.02 . 1 . . . . 140 LEU HA . 17616 1 993 . 1 1 140 140 LEU HB2 H 1 1.411 0.02 . 1 . . . . 140 LEU HB2 . 17616 1 994 . 1 1 140 140 LEU HB3 H 1 1.411 0.02 . 1 . . . . 140 LEU HB3 . 17616 1 995 . 1 1 140 140 LEU C C 13 176.774 0.3 . 1 . . . . 140 LEU C . 17616 1 996 . 1 1 140 140 LEU CA C 13 55.543 0.3 . 1 . . . . 140 LEU CA . 17616 1 997 . 1 1 140 140 LEU CB C 13 42.203 0.3 . 1 . . . . 140 LEU CB . 17616 1 998 . 1 1 140 140 LEU N N 15 124.802 0.3 . 1 . . . . 140 LEU N . 17616 1 999 . 1 1 141 141 PHE H H 1 8.208 0.02 . 1 . . . . 141 PHE H . 17616 1 1000 . 1 1 141 141 PHE HA H 1 4.712 0.02 . 1 . . . . 141 PHE HA . 17616 1 1001 . 1 1 141 141 PHE HB2 H 1 3.286 0.02 . 1 . . . . 141 PHE HB2 . 17616 1 1002 . 1 1 141 141 PHE HB3 H 1 3.286 0.02 . 2 . . . . 141 PHE HB3 . 17616 1 1003 . 1 1 141 141 PHE C C 13 175.197 0.3 . 1 . . . . 141 PHE C . 17616 1 1004 . 1 1 141 141 PHE CA C 13 57.383 0.3 . 1 . . . . 141 PHE CA . 17616 1 1005 . 1 1 141 141 PHE CB C 13 39.579 0.3 . 1 . . . . 141 PHE CB . 17616 1 1006 . 1 1 141 141 PHE N N 15 119.4 0.3 . 1 . . . . 141 PHE N . 17616 1 1007 . 1 1 142 142 GLY H H 1 7.932 0.02 . 1 . . . . 142 GLY H . 17616 1 1008 . 1 1 142 142 GLY HA2 H 1 3.797 0.02 . 1 . . . . 142 GLY HA2 . 17616 1 1009 . 1 1 142 142 GLY HA3 H 1 3.797 0.02 . 1 . . . . 142 GLY HA3 . 17616 1 1010 . 1 1 142 142 GLY C C 13 178.688 0.3 . 1 . . . . 142 GLY C . 17616 1 1011 . 1 1 142 142 GLY CA C 13 46.08 0.3 . 1 . . . . 142 GLY CA . 17616 1 1012 . 1 1 142 142 GLY N N 15 115.982 0.3 . 1 . . . . 142 GLY N . 17616 1 stop_ save_