data_16030 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16030 _Entry.Title ; Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2008-11-14 _Entry.Accession_date 2008-11-14 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.8.125 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype solution _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Yibing Wu . . . 16030 2 Jeffrey Mills . L. . 16030 3 Dongyan Wang . . . 16030 4 Mei Jiang . . . 16030 5 Erica Foote . L. . 16030 6 Rong Xiao . . . 16030 7 Bharathwaj Sathyamoorthy . . . 16030 8 Dinesh Sukumaran . . . 16030 9 Rajesh Nair . . . 16030 10 John Everett . K. . 16030 11 G.V.T Swapna . . . 16030 12 Thomas Acton . B. . 16030 13 Burkhard Rost . . . 16030 14 Gaetano Montelione . T. . 16030 15 Thomas Szyperski . . . 16030 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Northeast Structural Genomics Consortium' . 16030 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16030 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 376 16030 '15N chemical shifts' 125 16030 '1H chemical shifts' 797 16030 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 2 . . 2010-06-02 2008-11-14 update BMRB 'edit assembly name' 16030 1 . . 2009-03-05 2008-11-14 original author 'original release' 16030 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KAT 'BMRB Entry Tracking System' 16030 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16030 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'Solution structure of protein BPP2914 from Bordetella parapertussis. Northeast Structural Genomics Consortium target BpR206' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _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 Yibing Wu . . . 16030 1 2 Jeffrey Mills . L. . 16030 1 3 Dongyan Wang . . . 16030 1 4 Mei Jiang . . . 16030 1 5 Erica Foote . L. . 16030 1 6 Rong Xiao . . . 16030 1 7 Bharathwaj Sathyamoorthy . . . 16030 1 8 Dinesh Sukumaran . . . 16030 1 9 Rajesh Nair . . . 16030 1 10 John Everett . K. . 16030 1 11 G.V.T Swapna . . . 16030 1 12 Thomas Acton . B. . 16030 1 13 Burkhard Rost . . . 16030 1 14 Gaetano Montelione . T. . 16030 1 15 Thomas Szyperski . . . 16030 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID NESG 16030 1 NMR 16030 1 structure 16030 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16030 _Assembly.ID 1 _Assembly.Name BPP2914 _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 BPP 1 $BPP A . yes native no no . . . 16030 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_BPP _Entity.Sf_category entity _Entity.Sf_framecode BPP _Entity.Entry_ID 16030 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name BPP _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MQAITERLEAMLAQGTDNML LRFTLGKTYAEHEQFDAALP HLRAALDFDPTYSVAWKWLG KTLQGQGDRAGARQAWESGL AAAQSRGDQQVVKELQVFLR RLAREDALEHHHHHH ; _Entity.Target_identifier . _Entity.Polymer_author_defined_seq . _Entity.Polymer_author_seq_details . _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 115 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13089.824 _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 PDB 2KAT . "Solution Structure Of Protein Bpp2914 From Bordetella Parapertussis. Northeast Structural Genomics Consortium Target Bpr206" . . . . . 100.00 115 100.00 100.00 5.44e-76 . . . . 16030 1 2 no DBJ BAO69438 . "hypothetical protein BBS798_2713 [Bordetella bronchiseptica]" . . . . . 93.04 111 98.13 100.00 7.72e-68 . . . . 16030 1 3 no EMBL CAE33376 . "conserved hypothetical protein [Bordetella bronchiseptica RB50]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 4 no EMBL CAE38207 . "conserved hypothetical protein [Bordetella parapertussis]" . . . . . 93.04 107 99.07 100.00 8.40e-69 . . . . 16030 1 5 no EMBL CAE41600 . "conserved hypothetical protein [Bordetella pertussis Tohama I]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 6 no EMBL CCJ49952 . "conserved hypothetical protein [Bordetella parapertussis Bpp5]" . . . . . 93.04 111 97.20 98.13 6.61e-67 . . . . 16030 1 7 no EMBL CCJ52604 . "conserved hypothetical protein [Bordetella bronchiseptica 253]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 8 no GB AEE66689 . "hypothetical protein BPTD_1294 [Bordetella pertussis CS]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 9 no GB AIW92849 . "hypothetical protein B1917_2548 [Bordetella pertussis B1917]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 10 no GB AIW95226 . "hypothetical protein B1920_1300 [Bordetella pertussis B1920]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 11 no GB AJB27345 . "hypothetical protein Q425_27770 [Bordetella pertussis 137]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 12 no GB ALH49899 . "hypothetical protein B1838_2549 [Bordetella pertussis]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 13 no REF NP_880070 . "hypothetical protein BP1304 [Bordetella pertussis Tohama I]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 14 no REF WP_003811313 . "MULTISPECIES: hypothetical protein [Bordetella]" . . . . . 93.04 111 99.07 100.00 1.42e-68 . . . . 16030 1 15 no REF WP_015039931 . "hypothetical protein [Bordetella parapertussis]" . . . . . 93.04 111 97.20 98.13 6.61e-67 . . . . 16030 1 16 no REF WP_029443804 . "MULTISPECIES: hypothetical protein [Bordetella]" . . . . . 90.43 108 99.04 100.00 2.25e-66 . . . . 16030 1 17 no REF WP_041937430 . "hypothetical protein [Bordetella parapertussis]" . . . . . 90.43 104 99.04 100.00 1.11e-66 . . . . 16030 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 . 16030 1 2 . GLN . 16030 1 3 . ALA . 16030 1 4 . ILE . 16030 1 5 . THR . 16030 1 6 . GLU . 16030 1 7 . ARG . 16030 1 8 . LEU . 16030 1 9 . GLU . 16030 1 10 . ALA . 16030 1 11 . MET . 16030 1 12 . LEU . 16030 1 13 . ALA . 16030 1 14 . GLN . 16030 1 15 . GLY . 16030 1 16 . THR . 16030 1 17 . ASP . 16030 1 18 . ASN . 16030 1 19 . MET . 16030 1 20 . LEU . 16030 1 21 . LEU . 16030 1 22 . ARG . 16030 1 23 . PHE . 16030 1 24 . THR . 16030 1 25 . LEU . 16030 1 26 . GLY . 16030 1 27 . LYS . 16030 1 28 . THR . 16030 1 29 . TYR . 16030 1 30 . ALA . 16030 1 31 . GLU . 16030 1 32 . HIS . 16030 1 33 . GLU . 16030 1 34 . GLN . 16030 1 35 . PHE . 16030 1 36 . ASP . 16030 1 37 . ALA . 16030 1 38 . ALA . 16030 1 39 . LEU . 16030 1 40 . PRO . 16030 1 41 . HIS . 16030 1 42 . LEU . 16030 1 43 . ARG . 16030 1 44 . ALA . 16030 1 45 . ALA . 16030 1 46 . LEU . 16030 1 47 . ASP . 16030 1 48 . PHE . 16030 1 49 . ASP . 16030 1 50 . PRO . 16030 1 51 . THR . 16030 1 52 . TYR . 16030 1 53 . SER . 16030 1 54 . VAL . 16030 1 55 . ALA . 16030 1 56 . TRP . 16030 1 57 . LYS . 16030 1 58 . TRP . 16030 1 59 . LEU . 16030 1 60 . GLY . 16030 1 61 . LYS . 16030 1 62 . THR . 16030 1 63 . LEU . 16030 1 64 . GLN . 16030 1 65 . GLY . 16030 1 66 . GLN . 16030 1 67 . GLY . 16030 1 68 . ASP . 16030 1 69 . ARG . 16030 1 70 . ALA . 16030 1 71 . GLY . 16030 1 72 . ALA . 16030 1 73 . ARG . 16030 1 74 . GLN . 16030 1 75 . ALA . 16030 1 76 . TRP . 16030 1 77 . GLU . 16030 1 78 . SER . 16030 1 79 . GLY . 16030 1 80 . LEU . 16030 1 81 . ALA . 16030 1 82 . ALA . 16030 1 83 . ALA . 16030 1 84 . GLN . 16030 1 85 . SER . 16030 1 86 . ARG . 16030 1 87 . GLY . 16030 1 88 . ASP . 16030 1 89 . GLN . 16030 1 90 . GLN . 16030 1 91 . VAL . 16030 1 92 . VAL . 16030 1 93 . LYS . 16030 1 94 . GLU . 16030 1 95 . LEU . 16030 1 96 . GLN . 16030 1 97 . VAL . 16030 1 98 . PHE . 16030 1 99 . LEU . 16030 1 100 . ARG . 16030 1 101 . ARG . 16030 1 102 . LEU . 16030 1 103 . ALA . 16030 1 104 . ARG . 16030 1 105 . GLU . 16030 1 106 . ASP . 16030 1 107 . ALA . 16030 1 108 . LEU . 16030 1 109 . GLU . 16030 1 110 . HIS . 16030 1 111 . HIS . 16030 1 112 . HIS . 16030 1 113 . HIS . 16030 1 114 . HIS . 16030 1 115 . HIS . 16030 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 16030 1 . GLN 2 2 16030 1 . ALA 3 3 16030 1 . ILE 4 4 16030 1 . THR 5 5 16030 1 . GLU 6 6 16030 1 . ARG 7 7 16030 1 . LEU 8 8 16030 1 . GLU 9 9 16030 1 . ALA 10 10 16030 1 . MET 11 11 16030 1 . LEU 12 12 16030 1 . ALA 13 13 16030 1 . GLN 14 14 16030 1 . GLY 15 15 16030 1 . THR 16 16 16030 1 . ASP 17 17 16030 1 . ASN 18 18 16030 1 . MET 19 19 16030 1 . LEU 20 20 16030 1 . LEU 21 21 16030 1 . ARG 22 22 16030 1 . PHE 23 23 16030 1 . THR 24 24 16030 1 . LEU 25 25 16030 1 . GLY 26 26 16030 1 . LYS 27 27 16030 1 . THR 28 28 16030 1 . TYR 29 29 16030 1 . ALA 30 30 16030 1 . GLU 31 31 16030 1 . HIS 32 32 16030 1 . GLU 33 33 16030 1 . GLN 34 34 16030 1 . PHE 35 35 16030 1 . ASP 36 36 16030 1 . ALA 37 37 16030 1 . ALA 38 38 16030 1 . LEU 39 39 16030 1 . PRO 40 40 16030 1 . HIS 41 41 16030 1 . LEU 42 42 16030 1 . ARG 43 43 16030 1 . ALA 44 44 16030 1 . ALA 45 45 16030 1 . LEU 46 46 16030 1 . ASP 47 47 16030 1 . PHE 48 48 16030 1 . ASP 49 49 16030 1 . PRO 50 50 16030 1 . THR 51 51 16030 1 . TYR 52 52 16030 1 . SER 53 53 16030 1 . VAL 54 54 16030 1 . ALA 55 55 16030 1 . TRP 56 56 16030 1 . LYS 57 57 16030 1 . TRP 58 58 16030 1 . LEU 59 59 16030 1 . GLY 60 60 16030 1 . LYS 61 61 16030 1 . THR 62 62 16030 1 . LEU 63 63 16030 1 . GLN 64 64 16030 1 . GLY 65 65 16030 1 . GLN 66 66 16030 1 . GLY 67 67 16030 1 . ASP 68 68 16030 1 . ARG 69 69 16030 1 . ALA 70 70 16030 1 . GLY 71 71 16030 1 . ALA 72 72 16030 1 . ARG 73 73 16030 1 . GLN 74 74 16030 1 . ALA 75 75 16030 1 . TRP 76 76 16030 1 . GLU 77 77 16030 1 . SER 78 78 16030 1 . GLY 79 79 16030 1 . LEU 80 80 16030 1 . ALA 81 81 16030 1 . ALA 82 82 16030 1 . ALA 83 83 16030 1 . GLN 84 84 16030 1 . SER 85 85 16030 1 . ARG 86 86 16030 1 . GLY 87 87 16030 1 . ASP 88 88 16030 1 . GLN 89 89 16030 1 . GLN 90 90 16030 1 . VAL 91 91 16030 1 . VAL 92 92 16030 1 . LYS 93 93 16030 1 . GLU 94 94 16030 1 . LEU 95 95 16030 1 . GLN 96 96 16030 1 . VAL 97 97 16030 1 . PHE 98 98 16030 1 . LEU 99 99 16030 1 . ARG 100 100 16030 1 . ARG 101 101 16030 1 . LEU 102 102 16030 1 . ALA 103 103 16030 1 . ARG 104 104 16030 1 . GLU 105 105 16030 1 . ASP 106 106 16030 1 . ALA 107 107 16030 1 . LEU 108 108 16030 1 . GLU 109 109 16030 1 . HIS 110 110 16030 1 . HIS 111 111 16030 1 . HIS 112 112 16030 1 . HIS 113 113 16030 1 . HIS 114 114 16030 1 . HIS 115 115 16030 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 16030 _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 $BPP . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 16030 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 16030 _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 $BPP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . 'pET 21-23C' . . . . . . 16030 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 16030 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 BPP '[U-5% 13C; U-100% 15N]' . . 1 $BPP . . 0.3 . . mM . . . . 16030 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16030 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16030 1 4 'Ammonium Acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16030 1 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16030 1 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16030 1 7 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16030 1 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16030 1 9 NaN3 'natural abundance' . . . . . . .02 . . % . . . . 16030 1 stop_ save_ save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16030 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _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 BPP '[U-100% 13C; U-100% 15N]' . . 1 $BPP . . 0.3 . . mM . . . . 16030 2 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 16030 2 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 16030 2 4 'Ammonium Acetate' 'natural abundance' . . . . . . 20 . . mM . . . . 16030 2 5 NaCl 'natural abundance' . . . . . . 200 . . mM . . . . 16030 2 6 CaCl2 'natural abundance' . . . . . . 5 . . mM . . . . 16030 2 7 DTT 'natural abundance' . . . . . . 10 . . mM . . . . 16030 2 8 DSS 'natural abundance' . . . . . . 50 . . uM . . . . 16030 2 9 NaN3 'natural abundance' . . . . . . .02 . . % . . . . 16030 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 16030 _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 'ionic strength' 0.2 . M 16030 1 pH 4.5 . pH 16030 1 pressure 1 . atm 16030 1 temperature 278 . K 16030 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 16030 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 16030 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16030 1 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16030 _Software.ID 2 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 16030 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16030 2 stop_ save_ save_AutoAssign _Software.Sf_category software _Software.Sf_framecode AutoAssign _Software.Entry_ID 16030 _Software.ID 3 _Software.Name AutoAssign _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zimmerman, Moseley, Kulikowski and Montelione' . . 16030 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16030 3 stop_ save_ save_AutoStructure _Software.Sf_category software _Software.Sf_framecode AutoStructure _Software.Entry_ID 16030 _Software.ID 4 _Software.Name AutoStruct _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Huang, Tejero, Powers and Montelione' . . 16030 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16030 4 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 16030 _Software.ID 5 _Software.Name XEASY _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bartels et al.' . . 16030 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'peak picking' 16030 5 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 16030 _Software.ID 6 _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' . . 16030 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 16030 6 stop_ save_ save_PSVS _Software.Sf_category software _Software.Sf_framecode PSVS _Software.Entry_ID 16030 _Software.ID 7 _Software.Name PSVS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bhattacharya and Montelione' . . 16030 7 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16030 7 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 16030 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16030 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model INOVA _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 750 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 16030 _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 Varian INOVA . 600 . . . 16030 1 2 spectrometer_2 Varian INOVA . 750 . . . 16030 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 16030 _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_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16030 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16030 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16030 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16030 1 5 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16030 1 6 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16030 1 7 '(4,3)D GFT HCCH-COSY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16030 1 8 '3D, 15N-13C RESOLVED SIMULTANIOUS NOESY' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16030 1 9 '3D HNCO' no . . . . . . . . . . 1 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16030 1 10 '2D 1H-13C HSQC' no . . . . . . . . . . 2 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16030 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 16030 _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 na indirect 0.251449530 . . . . . . . . . 16030 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16030 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16030 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 16030 _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 3 '3D CBCA(CO)NH' . . . 16030 1 4 '3D HNCACB' . . . 16030 1 5 '3D HBHA(CO)NH' . . . 16030 1 6 '3D HCCH-TOCSY' . . . 16030 1 7 '(4,3)D GFT HCCH-COSY' . . . 16030 1 8 '3D, 15N-13C RESOLVED SIMULTANIOUS NOESY' . . . 16030 1 9 '3D HNCO' . . . 16030 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $XEASY . . 16030 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.10 0.02 . 1 . . . . 1 MET HA . 16030 1 2 . 1 1 1 1 MET HB2 H 1 2.10 0.02 . 2 . . . . 1 MET HB2 . 16030 1 3 . 1 1 1 1 MET HB3 H 1 2.10 0.02 . 2 . . . . 1 MET HB3 . 16030 1 4 . 1 1 1 1 MET HG2 H 1 2.54 0.02 . 2 . . . . 1 MET HG2 . 16030 1 5 . 1 1 1 1 MET HG3 H 1 2.54 0.02 . 2 . . . . 1 MET HG3 . 16030 1 6 . 1 1 1 1 MET CA C 13 54.7 0.05 . 1 . . . . 1 MET CA . 16030 1 7 . 1 1 1 1 MET CB C 13 32.6 0.05 . 1 . . . . 1 MET CB . 16030 1 8 . 1 1 1 1 MET CG C 13 30.6 0.05 . 1 . . . . 1 MET CG . 16030 1 9 . 1 1 2 2 GLN H H 1 8.84 0.02 . 1 . . . . 2 GLN H . 16030 1 10 . 1 1 2 2 GLN HA H 1 4.31 0.02 . 1 . . . . 2 GLN HA . 16030 1 11 . 1 1 2 2 GLN HB2 H 1 1.90 0.02 . 2 . . . . 2 GLN HB2 . 16030 1 12 . 1 1 2 2 GLN HB3 H 1 2.01 0.02 . 2 . . . . 2 GLN HB3 . 16030 1 13 . 1 1 2 2 GLN HE21 H 1 6.88 0.02 . 2 . . . . 2 GLN HE21 . 16030 1 14 . 1 1 2 2 GLN HE22 H 1 7.63 0.02 . 2 . . . . 2 GLN HE22 . 16030 1 15 . 1 1 2 2 GLN HG2 H 1 2.30 0.02 . 2 . . . . 2 GLN HG2 . 16030 1 16 . 1 1 2 2 GLN HG3 H 1 2.30 0.02 . 2 . . . . 2 GLN HG3 . 16030 1 17 . 1 1 2 2 GLN CA C 13 55.6 0.05 . 1 . . . . 2 GLN CA . 16030 1 18 . 1 1 2 2 GLN CB C 13 29.9 0.05 . 1 . . . . 2 GLN CB . 16030 1 19 . 1 1 2 2 GLN CG C 13 33.7 0.05 . 1 . . . . 2 GLN CG . 16030 1 20 . 1 1 2 2 GLN N N 15 124.0 0.05 . 1 . . . . 2 GLN N . 16030 1 21 . 1 1 2 2 GLN NE2 N 15 115.0 0.05 . 1 . . . . 2 GLN NE2 . 16030 1 22 . 1 1 3 3 ALA H H 1 8.78 0.02 . 1 . . . . 3 ALA H . 16030 1 23 . 1 1 3 3 ALA HA H 1 4.24 0.02 . 1 . . . . 3 ALA HA . 16030 1 24 . 1 1 3 3 ALA HB1 H 1 1.40 0.02 . 1 . . . . 3 ALA HB . 16030 1 25 . 1 1 3 3 ALA HB2 H 1 1.40 0.02 . 1 . . . . 3 ALA HB . 16030 1 26 . 1 1 3 3 ALA HB3 H 1 1.40 0.02 . 1 . . . . 3 ALA HB . 16030 1 27 . 1 1 3 3 ALA CA C 13 52.6 0.05 . 1 . . . . 3 ALA CA . 16030 1 28 . 1 1 3 3 ALA CB C 13 18.8 0.05 . 1 . . . . 3 ALA CB . 16030 1 29 . 1 1 3 3 ALA N N 15 127.5 0.05 . 1 . . . . 3 ALA N . 16030 1 30 . 1 1 4 4 ILE H H 1 8.49 0.02 . 1 . . . . 4 ILE H . 16030 1 31 . 1 1 4 4 ILE HA H 1 3.82 0.02 . 1 . . . . 4 ILE HA . 16030 1 32 . 1 1 4 4 ILE HB H 1 1.79 0.02 . 1 . . . . 4 ILE HB . 16030 1 33 . 1 1 4 4 ILE HD11 H 1 0.79 0.02 . 1 . . . . 4 ILE HD1 . 16030 1 34 . 1 1 4 4 ILE HD12 H 1 0.79 0.02 . 1 . . . . 4 ILE HD1 . 16030 1 35 . 1 1 4 4 ILE HD13 H 1 0.79 0.02 . 1 . . . . 4 ILE HD1 . 16030 1 36 . 1 1 4 4 ILE HG12 H 1 1.44 0.02 . 2 . . . . 4 ILE HG12 . 16030 1 37 . 1 1 4 4 ILE HG13 H 1 1.10 0.02 . 2 . . . . 4 ILE HG13 . 16030 1 38 . 1 1 4 4 ILE HG21 H 1 0.78 0.02 . 1 . . . . 4 ILE HG2 . 16030 1 39 . 1 1 4 4 ILE HG22 H 1 0.78 0.02 . 1 . . . . 4 ILE HG2 . 16030 1 40 . 1 1 4 4 ILE HG23 H 1 0.78 0.02 . 1 . . . . 4 ILE HG2 . 16030 1 41 . 1 1 4 4 ILE CA C 13 63.7 0.05 . 1 . . . . 4 ILE CA . 16030 1 42 . 1 1 4 4 ILE CB C 13 37.8 0.05 . 1 . . . . 4 ILE CB . 16030 1 43 . 1 1 4 4 ILE CD1 C 13 13.2 0.05 . 1 . . . . 4 ILE CD1 . 16030 1 44 . 1 1 4 4 ILE CG1 C 13 28.7 0.05 . 1 . . . . 4 ILE CG1 . 16030 1 45 . 1 1 4 4 ILE CG2 C 13 17.3 0.05 . 1 . . . . 4 ILE CG2 . 16030 1 46 . 1 1 4 4 ILE N N 15 120.9 0.05 . 1 . . . . 4 ILE N . 16030 1 47 . 1 1 5 5 THR H H 1 7.73 0.02 . 1 . . . . 5 THR H . 16030 1 48 . 1 1 5 5 THR HA H 1 3.54 0.02 . 1 . . . . 5 THR HA . 16030 1 49 . 1 1 5 5 THR HB H 1 3.82 0.02 . 1 . . . . 5 THR HB . 16030 1 50 . 1 1 5 5 THR HG21 H 1 0.56 0.02 . 1 . . . . 5 THR HG2 . 16030 1 51 . 1 1 5 5 THR HG22 H 1 0.56 0.02 . 1 . . . . 5 THR HG2 . 16030 1 52 . 1 1 5 5 THR HG23 H 1 0.56 0.02 . 1 . . . . 5 THR HG2 . 16030 1 53 . 1 1 5 5 THR CA C 13 64.7 0.05 . 1 . . . . 5 THR CA . 16030 1 54 . 1 1 5 5 THR CB C 13 66.7 0.05 . 1 . . . . 5 THR CB . 16030 1 55 . 1 1 5 5 THR CG2 C 13 21.9 0.05 . 1 . . . . 5 THR CG2 . 16030 1 56 . 1 1 5 5 THR N N 15 110.7 0.05 . 1 . . . . 5 THR N . 16030 1 57 . 1 1 6 6 GLU H H 1 7.22 0.02 . 1 . . . . 6 GLU H . 16030 1 58 . 1 1 6 6 GLU HA H 1 3.94 0.02 . 1 . . . . 6 GLU HA . 16030 1 59 . 1 1 6 6 GLU HB2 H 1 2.09 0.02 . 2 . . . . 6 GLU HB2 . 16030 1 60 . 1 1 6 6 GLU HB3 H 1 2.03 0.02 . 2 . . . . 6 GLU HB3 . 16030 1 61 . 1 1 6 6 GLU HG2 H 1 2.31 0.02 . 2 . . . . 6 GLU HG2 . 16030 1 62 . 1 1 6 6 GLU HG3 H 1 2.31 0.02 . 2 . . . . 6 GLU HG3 . 16030 1 63 . 1 1 6 6 GLU CA C 13 59.2 0.05 . 1 . . . . 6 GLU CA . 16030 1 64 . 1 1 6 6 GLU CB C 13 28.9 0.05 . 1 . . . . 6 GLU CB . 16030 1 65 . 1 1 6 6 GLU CG C 13 35.7 0.05 . 1 . . . . 6 GLU CG . 16030 1 66 . 1 1 6 6 GLU N N 15 120.4 0.05 . 1 . . . . 6 GLU N . 16030 1 67 . 1 1 7 7 ARG H H 1 7.93 0.02 . 1 . . . . 7 ARG H . 16030 1 68 . 1 1 7 7 ARG HA H 1 3.95 0.02 . 1 . . . . 7 ARG HA . 16030 1 69 . 1 1 7 7 ARG HB2 H 1 1.83 0.02 . 2 . . . . 7 ARG HB2 . 16030 1 70 . 1 1 7 7 ARG HB3 H 1 1.83 0.02 . 2 . . . . 7 ARG HB3 . 16030 1 71 . 1 1 7 7 ARG HD2 H 1 3.13 0.02 . 2 . . . . 7 ARG HD2 . 16030 1 72 . 1 1 7 7 ARG HD3 H 1 3.13 0.02 . 2 . . . . 7 ARG HD3 . 16030 1 73 . 1 1 7 7 ARG HG2 H 1 1.78 0.02 . 2 . . . . 7 ARG HG2 . 16030 1 74 . 1 1 7 7 ARG HG3 H 1 1.61 0.02 . 2 . . . . 7 ARG HG3 . 16030 1 75 . 1 1 7 7 ARG CA C 13 59.1 0.05 . 1 . . . . 7 ARG CA . 16030 1 76 . 1 1 7 7 ARG CB C 13 30.1 0.05 . 1 . . . . 7 ARG CB . 16030 1 77 . 1 1 7 7 ARG CD C 13 43.5 0.05 . 1 . . . . 7 ARG CD . 16030 1 78 . 1 1 7 7 ARG CG C 13 27.3 0.05 . 1 . . . . 7 ARG CG . 16030 1 79 . 1 1 7 7 ARG N N 15 119.9 0.05 . 1 . . . . 7 ARG N . 16030 1 80 . 1 1 8 8 LEU H H 1 8.13 0.02 . 1 . . . . 8 LEU H . 16030 1 81 . 1 1 8 8 LEU HA H 1 4.15 0.02 . 1 . . . . 8 LEU HA . 16030 1 82 . 1 1 8 8 LEU HB2 H 1 1.48 0.02 . 2 . . . . 8 LEU HB2 . 16030 1 83 . 1 1 8 8 LEU HB3 H 1 1.21 0.02 . 2 . . . . 8 LEU HB3 . 16030 1 84 . 1 1 8 8 LEU HD11 H 1 0.81 0.02 . 2 . . . . 8 LEU HD1 . 16030 1 85 . 1 1 8 8 LEU HD12 H 1 0.81 0.02 . 2 . . . . 8 LEU HD1 . 16030 1 86 . 1 1 8 8 LEU HD13 H 1 0.81 0.02 . 2 . . . . 8 LEU HD1 . 16030 1 87 . 1 1 8 8 LEU HD21 H 1 0.68 0.02 . 2 . . . . 8 LEU HD2 . 16030 1 88 . 1 1 8 8 LEU HD22 H 1 0.68 0.02 . 2 . . . . 8 LEU HD2 . 16030 1 89 . 1 1 8 8 LEU HD23 H 1 0.68 0.02 . 2 . . . . 8 LEU HD2 . 16030 1 90 . 1 1 8 8 LEU HG H 1 1.85 0.02 . 1 . . . . 8 LEU HG . 16030 1 91 . 1 1 8 8 LEU CA C 13 57.8 0.05 . 1 . . . . 8 LEU CA . 16030 1 92 . 1 1 8 8 LEU CB C 13 41.0 0.05 . 1 . . . . 8 LEU CB . 16030 1 93 . 1 1 8 8 LEU CD1 C 13 22.1 0.05 . 1 . . . . 8 LEU CD1 . 16030 1 94 . 1 1 8 8 LEU CD2 C 13 25.4 0.05 . 1 . . . . 8 LEU CD2 . 16030 1 95 . 1 1 8 8 LEU CG C 13 27.2 0.05 . 1 . . . . 8 LEU CG . 16030 1 96 . 1 1 8 8 LEU N N 15 119.6 0.05 . 1 . . . . 8 LEU N . 16030 1 97 . 1 1 9 9 GLU H H 1 8.53 0.02 . 1 . . . . 9 GLU H . 16030 1 98 . 1 1 9 9 GLU HA H 1 4.15 0.02 . 1 . . . . 9 GLU HA . 16030 1 99 . 1 1 9 9 GLU HB2 H 1 1.94 0.02 . 2 . . . . 9 GLU HB2 . 16030 1 100 . 1 1 9 9 GLU HB3 H 1 2.06 0.02 . 2 . . . . 9 GLU HB3 . 16030 1 101 . 1 1 9 9 GLU HG2 H 1 2.46 0.02 . 2 . . . . 9 GLU HG2 . 16030 1 102 . 1 1 9 9 GLU HG3 H 1 2.51 0.02 . 2 . . . . 9 GLU HG3 . 16030 1 103 . 1 1 9 9 GLU CA C 13 59.1 0.05 . 1 . . . . 9 GLU CA . 16030 1 104 . 1 1 9 9 GLU CB C 13 28.3 0.05 . 1 . . . . 9 GLU CB . 16030 1 105 . 1 1 9 9 GLU CG C 13 34.2 0.05 . 1 . . . . 9 GLU CG . 16030 1 106 . 1 1 9 9 GLU N N 15 118.2 0.05 . 1 . . . . 9 GLU N . 16030 1 107 . 1 1 10 10 ALA H H 1 7.80 0.02 . 1 . . . . 10 ALA H . 16030 1 108 . 1 1 10 10 ALA HA H 1 4.23 0.02 . 1 . . . . 10 ALA HA . 16030 1 109 . 1 1 10 10 ALA HB1 H 1 1.47 0.02 . 1 . . . . 10 ALA HB . 16030 1 110 . 1 1 10 10 ALA HB2 H 1 1.47 0.02 . 1 . . . . 10 ALA HB . 16030 1 111 . 1 1 10 10 ALA HB3 H 1 1.47 0.02 . 1 . . . . 10 ALA HB . 16030 1 112 . 1 1 10 10 ALA CA C 13 55.0 0.05 . 1 . . . . 10 ALA CA . 16030 1 113 . 1 1 10 10 ALA CB C 13 17.2 0.05 . 1 . . . . 10 ALA CB . 16030 1 114 . 1 1 10 10 ALA N N 15 122.9 0.05 . 1 . . . . 10 ALA N . 16030 1 115 . 1 1 11 11 MET H H 1 7.70 0.02 . 1 . . . . 11 MET H . 16030 1 116 . 1 1 11 11 MET HA H 1 4.04 0.02 . 1 . . . . 11 MET HA . 16030 1 117 . 1 1 11 11 MET HB2 H 1 2.53 0.02 . 2 . . . . 11 MET HB2 . 16030 1 118 . 1 1 11 11 MET HB3 H 1 2.72 0.02 . 2 . . . . 11 MET HB3 . 16030 1 119 . 1 1 11 11 MET HE1 H 1 2.02 0.02 . 1 . . . . 11 MET HE . 16030 1 120 . 1 1 11 11 MET HE2 H 1 2.02 0.02 . 1 . . . . 11 MET HE . 16030 1 121 . 1 1 11 11 MET HE3 H 1 2.02 0.02 . 1 . . . . 11 MET HE . 16030 1 122 . 1 1 11 11 MET HG2 H 1 2.26 0.02 . 2 . . . . 11 MET HG2 . 16030 1 123 . 1 1 11 11 MET HG3 H 1 1.99 0.02 . 2 . . . . 11 MET HG3 . 16030 1 124 . 1 1 11 11 MET CA C 13 58.9 0.05 . 1 . . . . 11 MET CA . 16030 1 125 . 1 1 11 11 MET CB C 13 31.8 0.05 . 1 . . . . 11 MET CB . 16030 1 126 . 1 1 11 11 MET CE C 13 16.6 0.05 . 1 . . . . 11 MET CE . 16030 1 127 . 1 1 11 11 MET CG C 13 32.9 0.05 . 1 . . . . 11 MET CG . 16030 1 128 . 1 1 11 11 MET N N 15 118.8 0.05 . 1 . . . . 11 MET N . 16030 1 129 . 1 1 12 12 LEU H H 1 8.07 0.02 . 1 . . . . 12 LEU H . 16030 1 130 . 1 1 12 12 LEU HA H 1 4.87 0.02 . 1 . . . . 12 LEU HA . 16030 1 131 . 1 1 12 12 LEU HB2 H 1 1.64 0.02 . 2 . . . . 12 LEU HB2 . 16030 1 132 . 1 1 12 12 LEU HB3 H 1 1.89 0.02 . 2 . . . . 12 LEU HB3 . 16030 1 133 . 1 1 12 12 LEU HD11 H 1 0.95 0.02 . 2 . . . . 12 LEU HD1 . 16030 1 134 . 1 1 12 12 LEU HD12 H 1 0.95 0.02 . 2 . . . . 12 LEU HD1 . 16030 1 135 . 1 1 12 12 LEU HD13 H 1 0.95 0.02 . 2 . . . . 12 LEU HD1 . 16030 1 136 . 1 1 12 12 LEU HD21 H 1 0.91 0.02 . 2 . . . . 12 LEU HD2 . 16030 1 137 . 1 1 12 12 LEU HD22 H 1 0.91 0.02 . 2 . . . . 12 LEU HD2 . 16030 1 138 . 1 1 12 12 LEU HD23 H 1 0.91 0.02 . 2 . . . . 12 LEU HD2 . 16030 1 139 . 1 1 12 12 LEU HG H 1 1.54 0.02 . 1 . . . . 12 LEU HG . 16030 1 140 . 1 1 12 12 LEU CA C 13 56.9 0.05 . 1 . . . . 12 LEU CA . 16030 1 141 . 1 1 12 12 LEU CB C 13 41.9 0.05 . 1 . . . . 12 LEU CB . 16030 1 142 . 1 1 12 12 LEU CD1 C 13 26.8 0.05 . 1 . . . . 12 LEU CD1 . 16030 1 143 . 1 1 12 12 LEU CD2 C 13 23.6 0.05 . 1 . . . . 12 LEU CD2 . 16030 1 144 . 1 1 12 12 LEU CG C 13 26.8 0.05 . 1 . . . . 12 LEU CG . 16030 1 145 . 1 1 12 12 LEU N N 15 122.5 0.05 . 1 . . . . 12 LEU N . 16030 1 146 . 1 1 13 13 ALA H H 1 8.15 0.02 . 1 . . . . 13 ALA H . 16030 1 147 . 1 1 13 13 ALA HA H 1 4.13 0.02 . 1 . . . . 13 ALA HA . 16030 1 148 . 1 1 13 13 ALA HB1 H 1 1.51 0.02 . 1 . . . . 13 ALA HB . 16030 1 149 . 1 1 13 13 ALA HB2 H 1 1.51 0.02 . 1 . . . . 13 ALA HB . 16030 1 150 . 1 1 13 13 ALA HB3 H 1 1.51 0.02 . 1 . . . . 13 ALA HB . 16030 1 151 . 1 1 13 13 ALA CA C 13 54.1 0.05 . 1 . . . . 13 ALA CA . 16030 1 152 . 1 1 13 13 ALA CB C 13 17.7 0.05 . 1 . . . . 13 ALA CB . 16030 1 153 . 1 1 13 13 ALA N N 15 122.3 0.05 . 1 . . . . 13 ALA N . 16030 1 154 . 1 1 14 14 GLN H H 1 7.56 0.02 . 1 . . . . 14 GLN H . 16030 1 155 . 1 1 14 14 GLN HA H 1 4.34 0.02 . 1 . . . . 14 GLN HA . 16030 1 156 . 1 1 14 14 GLN HB2 H 1 2.32 0.02 . 2 . . . . 14 GLN HB2 . 16030 1 157 . 1 1 14 14 GLN HB3 H 1 2.17 0.02 . 2 . . . . 14 GLN HB3 . 16030 1 158 . 1 1 14 14 GLN HE21 H 1 7.49 0.02 . 2 . . . . 14 GLN HE21 . 16030 1 159 . 1 1 14 14 GLN HE22 H 1 6.84 0.02 . 2 . . . . 14 GLN HE22 . 16030 1 160 . 1 1 14 14 GLN HG2 H 1 2.48 0.02 . 2 . . . . 14 GLN HG2 . 16030 1 161 . 1 1 14 14 GLN HG3 H 1 2.56 0.02 . 2 . . . . 14 GLN HG3 . 16030 1 162 . 1 1 14 14 GLN CA C 13 55.5 0.05 . 1 . . . . 14 GLN CA . 16030 1 163 . 1 1 14 14 GLN CB C 13 28.7 0.05 . 1 . . . . 14 GLN CB . 16030 1 164 . 1 1 14 14 GLN CG C 13 33.8 0.05 . 1 . . . . 14 GLN CG . 16030 1 165 . 1 1 14 14 GLN N N 15 115.1 0.05 . 1 . . . . 14 GLN N . 16030 1 166 . 1 1 14 14 GLN NE2 N 15 114.9 0.05 . 1 . . . . 14 GLN NE2 . 16030 1 167 . 1 1 15 15 GLY H H 1 7.87 0.02 . 1 . . . . 15 GLY H . 16030 1 168 . 1 1 15 15 GLY HA2 H 1 3.72 0.02 . 2 . . . . 15 GLY HA2 . 16030 1 169 . 1 1 15 15 GLY HA3 H 1 4.43 0.02 . 2 . . . . 15 GLY HA3 . 16030 1 170 . 1 1 15 15 GLY CA C 13 45.1 0.05 . 1 . . . . 15 GLY CA . 16030 1 171 . 1 1 15 15 GLY N N 15 106.8 0.05 . 1 . . . . 15 GLY N . 16030 1 172 . 1 1 16 16 THR H H 1 7.98 0.02 . 1 . . . . 16 THR H . 16030 1 173 . 1 1 16 16 THR HA H 1 4.19 0.02 . 1 . . . . 16 THR HA . 16030 1 174 . 1 1 16 16 THR HB H 1 4.91 0.02 . 1 . . . . 16 THR HB . 16030 1 175 . 1 1 16 16 THR HG21 H 1 1.04 0.02 . 1 . . . . 16 THR HG2 . 16030 1 176 . 1 1 16 16 THR HG22 H 1 1.04 0.02 . 1 . . . . 16 THR HG2 . 16030 1 177 . 1 1 16 16 THR HG23 H 1 1.04 0.02 . 1 . . . . 16 THR HG2 . 16030 1 178 . 1 1 16 16 THR CA C 13 62.6 0.05 . 1 . . . . 16 THR CA . 16030 1 179 . 1 1 16 16 THR CB C 13 68.8 0.05 . 1 . . . . 16 THR CB . 16030 1 180 . 1 1 16 16 THR CG2 C 13 21.3 0.05 . 1 . . . . 16 THR CG2 . 16030 1 181 . 1 1 16 16 THR N N 15 120.8 0.05 . 1 . . . . 16 THR N . 16030 1 182 . 1 1 17 17 ASP H H 1 8.11 0.02 . 1 . . . . 17 ASP H . 16030 1 183 . 1 1 17 17 ASP HA H 1 4.83 0.02 . 1 . . . . 17 ASP HA . 16030 1 184 . 1 1 17 17 ASP HB2 H 1 2.43 0.02 . 2 . . . . 17 ASP HB2 . 16030 1 185 . 1 1 17 17 ASP HB3 H 1 2.82 0.02 . 2 . . . . 17 ASP HB3 . 16030 1 186 . 1 1 17 17 ASP CA C 13 53.3 0.05 . 1 . . . . 17 ASP CA . 16030 1 187 . 1 1 17 17 ASP CB C 13 42.7 0.05 . 1 . . . . 17 ASP CB . 16030 1 188 . 1 1 17 17 ASP N N 15 122.8 0.05 . 1 . . . . 17 ASP N . 16030 1 189 . 1 1 18 18 ASN HA H 1 3.46 0.02 . 1 . . . . 18 ASN HA . 16030 1 190 . 1 1 18 18 ASN HB2 H 1 2.50 0.02 . 2 . . . . 18 ASN HB2 . 16030 1 191 . 1 1 18 18 ASN HB3 H 1 2.96 0.02 . 2 . . . . 18 ASN HB3 . 16030 1 192 . 1 1 18 18 ASN HD21 H 1 7.59 0.02 . 2 . . . . 18 ASN HD21 . 16030 1 193 . 1 1 18 18 ASN HD22 H 1 6.68 0.02 . 2 . . . . 18 ASN HD22 . 16030 1 194 . 1 1 18 18 ASN CA C 13 52.2 0.05 . 1 . . . . 18 ASN CA . 16030 1 195 . 1 1 18 18 ASN CB C 13 39.6 0.05 . 1 . . . . 18 ASN CB . 16030 1 196 . 1 1 18 18 ASN ND2 N 15 118.3 0.05 . 1 . . . . 18 ASN ND2 . 16030 1 197 . 1 1 19 19 MET H H 1 8.26 0.02 . 1 . . . . 19 MET H . 16030 1 198 . 1 1 19 19 MET HA H 1 3.65 0.02 . 1 . . . . 19 MET HA . 16030 1 199 . 1 1 19 19 MET HB2 H 1 1.92 0.02 . 2 . . . . 19 MET HB2 . 16030 1 200 . 1 1 19 19 MET HB3 H 1 1.92 0.02 . 2 . . . . 19 MET HB3 . 16030 1 201 . 1 1 19 19 MET HE1 H 1 1.30 0.02 . 1 . . . . 19 MET HE . 16030 1 202 . 1 1 19 19 MET HE2 H 1 1.30 0.02 . 1 . . . . 19 MET HE . 16030 1 203 . 1 1 19 19 MET HE3 H 1 1.30 0.02 . 1 . . . . 19 MET HE . 16030 1 204 . 1 1 19 19 MET HG2 H 1 2.60 0.02 . 2 . . . . 19 MET HG2 . 16030 1 205 . 1 1 19 19 MET HG3 H 1 2.46 0.02 . 2 . . . . 19 MET HG3 . 16030 1 206 . 1 1 19 19 MET CA C 13 61.1 0.05 . 1 . . . . 19 MET CA . 16030 1 207 . 1 1 19 19 MET CB C 13 32.9 0.05 . 1 . . . . 19 MET CB . 16030 1 208 . 1 1 19 19 MET CE C 13 16.7 0.05 . 1 . . . . 19 MET CE . 16030 1 209 . 1 1 19 19 MET CG C 13 31.9 0.05 . 1 . . . . 19 MET CG . 16030 1 210 . 1 1 19 19 MET N N 15 119.1 0.05 . 1 . . . . 19 MET N . 16030 1 211 . 1 1 20 20 LEU H H 1 8.35 0.02 . 1 . . . . 20 LEU H . 16030 1 212 . 1 1 20 20 LEU HA H 1 4.22 0.02 . 1 . . . . 20 LEU HA . 16030 1 213 . 1 1 20 20 LEU HB2 H 1 1.59 0.02 . 2 . . . . 20 LEU HB2 . 16030 1 214 . 1 1 20 20 LEU HB3 H 1 1.56 0.02 . 2 . . . . 20 LEU HB3 . 16030 1 215 . 1 1 20 20 LEU HD11 H 1 0.92 0.02 . 2 . . . . 20 LEU HD1 . 16030 1 216 . 1 1 20 20 LEU HD12 H 1 0.92 0.02 . 2 . . . . 20 LEU HD1 . 16030 1 217 . 1 1 20 20 LEU HD13 H 1 0.92 0.02 . 2 . . . . 20 LEU HD1 . 16030 1 218 . 1 1 20 20 LEU HD21 H 1 0.82 0.02 . 2 . . . . 20 LEU HD2 . 16030 1 219 . 1 1 20 20 LEU HD22 H 1 0.82 0.02 . 2 . . . . 20 LEU HD2 . 16030 1 220 . 1 1 20 20 LEU HD23 H 1 0.82 0.02 . 2 . . . . 20 LEU HD2 . 16030 1 221 . 1 1 20 20 LEU HG H 1 1.54 0.02 . 1 . . . . 20 LEU HG . 16030 1 222 . 1 1 20 20 LEU CA C 13 57.5 0.05 . 1 . . . . 20 LEU CA . 16030 1 223 . 1 1 20 20 LEU CB C 13 41.2 0.05 . 1 . . . . 20 LEU CB . 16030 1 224 . 1 1 20 20 LEU CD1 C 13 23.6 0.05 . 1 . . . . 20 LEU CD1 . 16030 1 225 . 1 1 20 20 LEU CD2 C 13 27.0 0.05 . 1 . . . . 20 LEU CD2 . 16030 1 226 . 1 1 20 20 LEU CG C 13 26.8 0.05 . 1 . . . . 20 LEU CG . 16030 1 227 . 1 1 20 20 LEU N N 15 120.4 0.05 . 1 . . . . 20 LEU N . 16030 1 228 . 1 1 21 21 LEU H H 1 8.52 0.02 . 1 . . . . 21 LEU H . 16030 1 229 . 1 1 21 21 LEU HA H 1 3.91 0.02 . 1 . . . . 21 LEU HA . 16030 1 230 . 1 1 21 21 LEU HB2 H 1 1.42 0.02 . 2 . . . . 21 LEU HB2 . 16030 1 231 . 1 1 21 21 LEU HB3 H 1 1.72 0.02 . 2 . . . . 21 LEU HB3 . 16030 1 232 . 1 1 21 21 LEU HD11 H 1 0.81 0.02 . 2 . . . . 21 LEU HD1 . 16030 1 233 . 1 1 21 21 LEU HD12 H 1 0.81 0.02 . 2 . . . . 21 LEU HD1 . 16030 1 234 . 1 1 21 21 LEU HD13 H 1 0.81 0.02 . 2 . . . . 21 LEU HD1 . 16030 1 235 . 1 1 21 21 LEU HD21 H 1 0.76 0.02 . 2 . . . . 21 LEU HD2 . 16030 1 236 . 1 1 21 21 LEU HD22 H 1 0.76 0.02 . 2 . . . . 21 LEU HD2 . 16030 1 237 . 1 1 21 21 LEU HD23 H 1 0.76 0.02 . 2 . . . . 21 LEU HD2 . 16030 1 238 . 1 1 21 21 LEU HG H 1 1.54 0.02 . 1 . . . . 21 LEU HG . 16030 1 239 . 1 1 21 21 LEU CA C 13 59.2 0.05 . 1 . . . . 21 LEU CA . 16030 1 240 . 1 1 21 21 LEU CB C 13 42.4 0.05 . 1 . . . . 21 LEU CB . 16030 1 241 . 1 1 21 21 LEU CD1 C 13 24.7 0.05 . 1 . . . . 21 LEU CD1 . 16030 1 242 . 1 1 21 21 LEU CD2 C 13 24.1 0.05 . 1 . . . . 21 LEU CD2 . 16030 1 243 . 1 1 21 21 LEU CG C 13 26.8 0.05 . 1 . . . . 21 LEU CG . 16030 1 244 . 1 1 21 21 LEU N N 15 125.5 0.05 . 1 . . . . 21 LEU N . 16030 1 245 . 1 1 22 22 ARG H H 1 7.83 0.02 . 1 . . . . 22 ARG H . 16030 1 246 . 1 1 22 22 ARG HA H 1 4.23 0.02 . 1 . . . . 22 ARG HA . 16030 1 247 . 1 1 22 22 ARG HB2 H 1 3.00 0.02 . 2 . . . . 22 ARG HB2 . 16030 1 248 . 1 1 22 22 ARG HB3 H 1 3.00 0.02 . 2 . . . . 22 ARG HB3 . 16030 1 249 . 1 1 22 22 ARG HD2 H 1 2.81 0.02 . 2 . . . . 22 ARG HD2 . 16030 1 250 . 1 1 22 22 ARG HD3 H 1 2.81 0.02 . 2 . . . . 22 ARG HD3 . 16030 1 251 . 1 1 22 22 ARG HG2 H 1 1.58 0.02 . 2 . . . . 22 ARG HG2 . 16030 1 252 . 1 1 22 22 ARG HG3 H 1 1.58 0.02 . 2 . . . . 22 ARG HG3 . 16030 1 253 . 1 1 22 22 ARG CA C 13 57.3 0.05 . 1 . . . . 22 ARG CA . 16030 1 254 . 1 1 22 22 ARG CB C 13 28.8 0.05 . 1 . . . . 22 ARG CB . 16030 1 255 . 1 1 22 22 ARG CD C 13 43.1 0.05 . 1 . . . . 22 ARG CD . 16030 1 256 . 1 1 22 22 ARG CG C 13 27.3 0.05 . 1 . . . . 22 ARG CG . 16030 1 257 . 1 1 22 22 ARG N N 15 117.2 0.05 . 1 . . . . 22 ARG N . 16030 1 258 . 1 1 23 23 PHE H H 1 9.38 0.02 . 1 . . . . 23 PHE H . 16030 1 259 . 1 1 23 23 PHE HA H 1 3.95 0.02 . 1 . . . . 23 PHE HA . 16030 1 260 . 1 1 23 23 PHE HB2 H 1 3.13 0.02 . 2 . . . . 23 PHE HB2 . 16030 1 261 . 1 1 23 23 PHE HB3 H 1 3.19 0.02 . 2 . . . . 23 PHE HB3 . 16030 1 262 . 1 1 23 23 PHE HD1 H 1 6.96 0.02 . 3 . . . . 23 PHE HD1 . 16030 1 263 . 1 1 23 23 PHE HD2 H 1 6.96 0.02 . 3 . . . . 23 PHE HD2 . 16030 1 264 . 1 1 23 23 PHE HE1 H 1 7.11 0.02 . 3 . . . . 23 PHE HE1 . 16030 1 265 . 1 1 23 23 PHE HE2 H 1 7.11 0.02 . 3 . . . . 23 PHE HE2 . 16030 1 266 . 1 1 23 23 PHE HZ H 1 7.27 0.02 . 1 . . . . 23 PHE HZ . 16030 1 267 . 1 1 23 23 PHE CA C 13 61.5 0.05 . 1 . . . . 23 PHE CA . 16030 1 268 . 1 1 23 23 PHE CB C 13 40.2 0.05 . 1 . . . . 23 PHE CB . 16030 1 269 . 1 1 23 23 PHE CD1 C 13 128.3 0.05 . 1 . . . . 23 PHE CD1 . 16030 1 270 . 1 1 23 23 PHE CE1 C 13 130.5 0.05 . 1 . . . . 23 PHE CE1 . 16030 1 271 . 1 1 23 23 PHE CZ C 13 129.1 0.05 . 1 . . . . 23 PHE CZ . 16030 1 272 . 1 1 23 23 PHE N N 15 118.5 0.05 . 1 . . . . 23 PHE N . 16030 1 273 . 1 1 24 24 THR H H 1 8.60 0.02 . 1 . . . . 24 THR H . 16030 1 274 . 1 1 24 24 THR HA H 1 4.03 0.02 . 1 . . . . 24 THR HA . 16030 1 275 . 1 1 24 24 THR HB H 1 3.13 0.02 . 1 . . . . 24 THR HB . 16030 1 276 . 1 1 24 24 THR HG21 H 1 0.92 0.02 . 1 . . . . 24 THR HG2 . 16030 1 277 . 1 1 24 24 THR HG22 H 1 0.92 0.02 . 1 . . . . 24 THR HG2 . 16030 1 278 . 1 1 24 24 THR HG23 H 1 0.92 0.02 . 1 . . . . 24 THR HG2 . 16030 1 279 . 1 1 24 24 THR CA C 13 68.0 0.05 . 1 . . . . 24 THR CA . 16030 1 280 . 1 1 24 24 THR CB C 13 67.4 0.05 . 1 . . . . 24 THR CB . 16030 1 281 . 1 1 24 24 THR CG2 C 13 20.7 0.05 . 1 . . . . 24 THR CG2 . 16030 1 282 . 1 1 24 24 THR N N 15 115.4 0.05 . 1 . . . . 24 THR N . 16030 1 283 . 1 1 25 25 LEU H H 1 8.20 0.02 . 1 . . . . 25 LEU H . 16030 1 284 . 1 1 25 25 LEU HA H 1 3.39 0.02 . 1 . . . . 25 LEU HA . 16030 1 285 . 1 1 25 25 LEU HB2 H 1 1.03 0.02 . 2 . . . . 25 LEU HB2 . 16030 1 286 . 1 1 25 25 LEU HB3 H 1 1.36 0.02 . 2 . . . . 25 LEU HB3 . 16030 1 287 . 1 1 25 25 LEU HD11 H 1 0.40 0.02 . 2 . . . . 25 LEU HD1 . 16030 1 288 . 1 1 25 25 LEU HD12 H 1 0.40 0.02 . 2 . . . . 25 LEU HD1 . 16030 1 289 . 1 1 25 25 LEU HD13 H 1 0.40 0.02 . 2 . . . . 25 LEU HD1 . 16030 1 290 . 1 1 25 25 LEU HD21 H 1 0.29 0.02 . 2 . . . . 25 LEU HD2 . 16030 1 291 . 1 1 25 25 LEU HD22 H 1 0.29 0.02 . 2 . . . . 25 LEU HD2 . 16030 1 292 . 1 1 25 25 LEU HD23 H 1 0.29 0.02 . 2 . . . . 25 LEU HD2 . 16030 1 293 . 1 1 25 25 LEU HG H 1 1.19 0.02 . 1 . . . . 25 LEU HG . 16030 1 294 . 1 1 25 25 LEU CA C 13 58.2 0.05 . 1 . . . . 25 LEU CA . 16030 1 295 . 1 1 25 25 LEU CB C 13 42.2 0.05 . 1 . . . . 25 LEU CB . 16030 1 296 . 1 1 25 25 LEU CD1 C 13 25.0 0.05 . 1 . . . . 25 LEU CD1 . 16030 1 297 . 1 1 25 25 LEU CD2 C 13 24.4 0.05 . 1 . . . . 25 LEU CD2 . 16030 1 298 . 1 1 25 25 LEU CG C 13 26.7 0.05 . 1 . . . . 25 LEU CG . 16030 1 299 . 1 1 25 25 LEU N N 15 124.5 0.05 . 1 . . . . 25 LEU N . 16030 1 300 . 1 1 26 26 GLY H H 1 8.52 0.02 . 1 . . . . 26 GLY H . 16030 1 301 . 1 1 26 26 GLY HA2 H 1 3.91 0.02 . 2 . . . . 26 GLY HA2 . 16030 1 302 . 1 1 26 26 GLY HA3 H 1 3.57 0.02 . 2 . . . . 26 GLY HA3 . 16030 1 303 . 1 1 26 26 GLY CA C 13 48.4 0.05 . 1 . . . . 26 GLY CA . 16030 1 304 . 1 1 26 26 GLY N N 15 104.6 0.05 . 1 . . . . 26 GLY N . 16030 1 305 . 1 1 27 27 LYS H H 1 8.73 0.02 . 1 . . . . 27 LYS H . 16030 1 306 . 1 1 27 27 LYS HA H 1 2.97 0.02 . 1 . . . . 27 LYS HA . 16030 1 307 . 1 1 27 27 LYS HB2 H 1 0.68 0.02 . 2 . . . . 27 LYS HB2 . 16030 1 308 . 1 1 27 27 LYS HB3 H 1 0.13 0.02 . 2 . . . . 27 LYS HB3 . 16030 1 309 . 1 1 27 27 LYS HD2 H 1 0.98 0.02 . 2 . . . . 27 LYS HD2 . 16030 1 310 . 1 1 27 27 LYS HD3 H 1 0.89 0.02 . 2 . . . . 27 LYS HD3 . 16030 1 311 . 1 1 27 27 LYS HE2 H 1 2.51 0.02 . 2 . . . . 27 LYS HE2 . 16030 1 312 . 1 1 27 27 LYS HE3 H 1 2.67 0.02 . 2 . . . . 27 LYS HE3 . 16030 1 313 . 1 1 27 27 LYS HG2 H 1 0.02 0.02 . 2 . . . . 27 LYS HG2 . 16030 1 314 . 1 1 27 27 LYS HG3 H 1 -0.76 0.02 . 2 . . . . 27 LYS HG3 . 16030 1 315 . 1 1 27 27 LYS CA C 13 59.1 0.05 . 1 . . . . 27 LYS CA . 16030 1 316 . 1 1 27 27 LYS CB C 13 31.4 0.05 . 1 . . . . 27 LYS CB . 16030 1 317 . 1 1 27 27 LYS CD C 13 29.7 0.05 . 1 . . . . 27 LYS CD . 16030 1 318 . 1 1 27 27 LYS CE C 13 41.6 0.05 . 1 . . . . 27 LYS CE . 16030 1 319 . 1 1 27 27 LYS CG C 13 22.8 0.05 . 1 . . . . 27 LYS CG . 16030 1 320 . 1 1 27 27 LYS N N 15 121.2 0.05 . 1 . . . . 27 LYS N . 16030 1 321 . 1 1 28 28 THR H H 1 7.42 0.02 . 1 . . . . 28 THR H . 16030 1 322 . 1 1 28 28 THR HA H 1 3.68 0.02 . 1 . . . . 28 THR HA . 16030 1 323 . 1 1 28 28 THR HB H 1 3.67 0.02 . 1 . . . . 28 THR HB . 16030 1 324 . 1 1 28 28 THR HG21 H 1 0.89 0.02 . 1 . . . . 28 THR HG2 . 16030 1 325 . 1 1 28 28 THR HG22 H 1 0.89 0.02 . 1 . . . . 28 THR HG2 . 16030 1 326 . 1 1 28 28 THR HG23 H 1 0.89 0.02 . 1 . . . . 28 THR HG2 . 16030 1 327 . 1 1 28 28 THR CA C 13 67.1 0.05 . 1 . . . . 28 THR CA . 16030 1 328 . 1 1 28 28 THR CB C 13 67.7 0.05 . 1 . . . . 28 THR CB . 16030 1 329 . 1 1 28 28 THR CG2 C 13 21.4 0.05 . 1 . . . . 28 THR CG2 . 16030 1 330 . 1 1 28 28 THR N N 15 114.5 0.05 . 1 . . . . 28 THR N . 16030 1 331 . 1 1 29 29 TYR H H 1 8.22 0.02 . 1 . . . . 29 TYR H . 16030 1 332 . 1 1 29 29 TYR HA H 1 4.38 0.02 . 1 . . . . 29 TYR HA . 16030 1 333 . 1 1 29 29 TYR HB2 H 1 2.68 0.02 . 2 . . . . 29 TYR HB2 . 16030 1 334 . 1 1 29 29 TYR HB3 H 1 3.57 0.02 . 2 . . . . 29 TYR HB3 . 16030 1 335 . 1 1 29 29 TYR HD1 H 1 6.96 0.02 . 3 . . . . 29 TYR HD1 . 16030 1 336 . 1 1 29 29 TYR HD2 H 1 6.96 0.02 . 3 . . . . 29 TYR HD2 . 16030 1 337 . 1 1 29 29 TYR HE1 H 1 6.68 0.02 . 3 . . . . 29 TYR HE1 . 16030 1 338 . 1 1 29 29 TYR HE2 H 1 6.68 0.02 . 3 . . . . 29 TYR HE2 . 16030 1 339 . 1 1 29 29 TYR CA C 13 61.4 0.05 . 1 . . . . 29 TYR CA . 16030 1 340 . 1 1 29 29 TYR CB C 13 37.1 0.05 . 1 . . . . 29 TYR CB . 16030 1 341 . 1 1 29 29 TYR CD1 C 13 132.2 0.05 . 1 . . . . 29 TYR CD1 . 16030 1 342 . 1 1 29 29 TYR CE1 C 13 117.1 0.05 . 1 . . . . 29 TYR CE1 . 16030 1 343 . 1 1 29 29 TYR N N 15 120.4 0.05 . 1 . . . . 29 TYR N . 16030 1 344 . 1 1 30 30 ALA H H 1 8.50 0.02 . 1 . . . . 30 ALA H . 16030 1 345 . 1 1 30 30 ALA HA H 1 3.77 0.02 . 1 . . . . 30 ALA HA . 16030 1 346 . 1 1 30 30 ALA HB1 H 1 1.80 0.02 . 1 . . . . 30 ALA HB . 16030 1 347 . 1 1 30 30 ALA HB2 H 1 1.80 0.02 . 1 . . . . 30 ALA HB . 16030 1 348 . 1 1 30 30 ALA HB3 H 1 1.80 0.02 . 1 . . . . 30 ALA HB . 16030 1 349 . 1 1 30 30 ALA CA C 13 56.0 0.05 . 1 . . . . 30 ALA CA . 16030 1 350 . 1 1 30 30 ALA CB C 13 18.2 0.05 . 1 . . . . 30 ALA CB . 16030 1 351 . 1 1 30 30 ALA N N 15 123.3 0.05 . 1 . . . . 30 ALA N . 16030 1 352 . 1 1 31 31 GLU H H 1 8.94 0.02 . 1 . . . . 31 GLU H . 16030 1 353 . 1 1 31 31 GLU HA H 1 4.18 0.02 . 1 . . . . 31 GLU HA . 16030 1 354 . 1 1 31 31 GLU HB2 H 1 1.83 0.02 . 2 . . . . 31 GLU HB2 . 16030 1 355 . 1 1 31 31 GLU HB3 H 1 2.19 0.02 . 2 . . . . 31 GLU HB3 . 16030 1 356 . 1 1 31 31 GLU HG2 H 1 2.38 0.02 . 2 . . . . 31 GLU HG2 . 16030 1 357 . 1 1 31 31 GLU HG3 H 1 2.21 0.02 . 2 . . . . 31 GLU HG3 . 16030 1 358 . 1 1 31 31 GLU CA C 13 58.6 0.05 . 1 . . . . 31 GLU CA . 16030 1 359 . 1 1 31 31 GLU CB C 13 28.7 0.05 . 1 . . . . 31 GLU CB . 16030 1 360 . 1 1 31 31 GLU CG C 13 36.0 0.05 . 1 . . . . 31 GLU CG . 16030 1 361 . 1 1 31 31 GLU N N 15 120.7 0.05 . 1 . . . . 31 GLU N . 16030 1 362 . 1 1 32 32 HIS H H 1 7.34 0.02 . 1 . . . . 32 HIS H . 16030 1 363 . 1 1 32 32 HIS HA H 1 4.74 0.02 . 1 . . . . 32 HIS HA . 16030 1 364 . 1 1 32 32 HIS HB2 H 1 3.65 0.02 . 2 . . . . 32 HIS HB2 . 16030 1 365 . 1 1 32 32 HIS HB3 H 1 3.07 0.02 . 2 . . . . 32 HIS HB3 . 16030 1 366 . 1 1 32 32 HIS HD2 H 1 7.38 0.02 . 1 . . . . 32 HIS HD2 . 16030 1 367 . 1 1 32 32 HIS HE1 H 1 8.08 0.02 . 1 . . . . 32 HIS HE1 . 16030 1 368 . 1 1 32 32 HIS CA C 13 54.8 0.05 . 1 . . . . 32 HIS CA . 16030 1 369 . 1 1 32 32 HIS CB C 13 28.2 0.05 . 1 . . . . 32 HIS CB . 16030 1 370 . 1 1 32 32 HIS CD2 C 13 119.4 0.05 . 1 . . . . 32 HIS CD2 . 16030 1 371 . 1 1 32 32 HIS CE1 C 13 136.1 0.05 . 1 . . . . 32 HIS CE1 . 16030 1 372 . 1 1 32 32 HIS N N 15 115.3 0.05 . 1 . . . . 32 HIS N . 16030 1 373 . 1 1 33 33 GLU H H 1 7.83 0.02 . 1 . . . . 33 GLU H . 16030 1 374 . 1 1 33 33 GLU HA H 1 2.50 0.02 . 1 . . . . 33 GLU HA . 16030 1 375 . 1 1 33 33 GLU HB2 H 1 2.21 0.02 . 2 . . . . 33 GLU HB2 . 16030 1 376 . 1 1 33 33 GLU HB3 H 1 2.03 0.02 . 2 . . . . 33 GLU HB3 . 16030 1 377 . 1 1 33 33 GLU HG2 H 1 2.25 0.02 . 2 . . . . 33 GLU HG2 . 16030 1 378 . 1 1 33 33 GLU HG3 H 1 2.23 0.02 . 2 . . . . 33 GLU HG3 . 16030 1 379 . 1 1 33 33 GLU CA C 13 56.8 0.05 . 1 . . . . 33 GLU CA . 16030 1 380 . 1 1 33 33 GLU CB C 13 25.0 0.05 . 1 . . . . 33 GLU CB . 16030 1 381 . 1 1 33 33 GLU CG C 13 35.4 0.05 . 1 . . . . 33 GLU CG . 16030 1 382 . 1 1 33 33 GLU N N 15 112.2 0.05 . 1 . . . . 33 GLU N . 16030 1 383 . 1 1 34 34 GLN H H 1 8.03 0.02 . 1 . . . . 34 GLN H . 16030 1 384 . 1 1 34 34 GLN HA H 1 4.46 0.02 . 1 . . . . 34 GLN HA . 16030 1 385 . 1 1 34 34 GLN HB2 H 1 2.03 0.02 . 2 . . . . 34 GLN HB2 . 16030 1 386 . 1 1 34 34 GLN HB3 H 1 2.22 0.02 . 2 . . . . 34 GLN HB3 . 16030 1 387 . 1 1 34 34 GLN HE21 H 1 7.50 0.02 . 2 . . . . 34 GLN HE21 . 16030 1 388 . 1 1 34 34 GLN HE22 H 1 6.87 0.02 . 2 . . . . 34 GLN HE22 . 16030 1 389 . 1 1 34 34 GLN HG2 H 1 2.24 0.02 . 2 . . . . 34 GLN HG2 . 16030 1 390 . 1 1 34 34 GLN HG3 H 1 2.24 0.02 . 2 . . . . 34 GLN HG3 . 16030 1 391 . 1 1 34 34 GLN CA C 13 53.2 0.05 . 1 . . . . 34 GLN CA . 16030 1 392 . 1 1 34 34 GLN CB C 13 26.5 0.05 . 1 . . . . 34 GLN CB . 16030 1 393 . 1 1 34 34 GLN CG C 13 33.4 0.05 . 1 . . . . 34 GLN CG . 16030 1 394 . 1 1 34 34 GLN N N 15 121.0 0.05 . 1 . . . . 34 GLN N . 16030 1 395 . 1 1 34 34 GLN NE2 N 15 114.3 0.05 . 1 . . . . 34 GLN NE2 . 16030 1 396 . 1 1 35 35 PHE H H 1 7.05 0.02 . 1 . . . . 35 PHE H . 16030 1 397 . 1 1 35 35 PHE HA H 1 4.18 0.02 . 1 . . . . 35 PHE HA . 16030 1 398 . 1 1 35 35 PHE HB2 H 1 3.31 0.02 . 2 . . . . 35 PHE HB2 . 16030 1 399 . 1 1 35 35 PHE HB3 H 1 2.94 0.02 . 2 . . . . 35 PHE HB3 . 16030 1 400 . 1 1 35 35 PHE HD1 H 1 7.31 0.02 . 3 . . . . 35 PHE HD1 . 16030 1 401 . 1 1 35 35 PHE HD2 H 1 7.31 0.02 . 3 . . . . 35 PHE HD2 . 16030 1 402 . 1 1 35 35 PHE HE1 H 1 7.52 0.02 . 3 . . . . 35 PHE HE1 . 16030 1 403 . 1 1 35 35 PHE HE2 H 1 7.52 0.02 . 3 . . . . 35 PHE HE2 . 16030 1 404 . 1 1 35 35 PHE HZ H 1 7.53 0.02 . 1 . . . . 35 PHE HZ . 16030 1 405 . 1 1 35 35 PHE CA C 13 60.7 0.05 . 1 . . . . 35 PHE CA . 16030 1 406 . 1 1 35 35 PHE CB C 13 38.2 0.05 . 1 . . . . 35 PHE CB . 16030 1 407 . 1 1 35 35 PHE CD1 C 13 130.9 0.05 . 1 . . . . 35 PHE CD1 . 16030 1 408 . 1 1 35 35 PHE CE1 C 13 132.1 0.05 . 1 . . . . 35 PHE CE1 . 16030 1 409 . 1 1 35 35 PHE CZ C 13 130.2 0.05 . 1 . . . . 35 PHE CZ . 16030 1 410 . 1 1 35 35 PHE N N 15 118.6 0.05 . 1 . . . . 35 PHE N . 16030 1 411 . 1 1 36 36 ASP H H 1 8.41 0.02 . 1 . . . . 36 ASP H . 16030 1 412 . 1 1 36 36 ASP HA H 1 4.20 0.02 . 1 . . . . 36 ASP HA . 16030 1 413 . 1 1 36 36 ASP HB2 H 1 2.66 0.02 . 2 . . . . 36 ASP HB2 . 16030 1 414 . 1 1 36 36 ASP HB3 H 1 2.57 0.02 . 2 . . . . 36 ASP HB3 . 16030 1 415 . 1 1 36 36 ASP CA C 13 56.7 0.05 . 1 . . . . 36 ASP CA . 16030 1 416 . 1 1 36 36 ASP CB C 13 38.8 0.05 . 1 . . . . 36 ASP CB . 16030 1 417 . 1 1 36 36 ASP N N 15 117.0 0.05 . 1 . . . . 36 ASP N . 16030 1 418 . 1 1 37 37 ALA H H 1 7.54 0.02 . 1 . . . . 37 ALA H . 16030 1 419 . 1 1 37 37 ALA HA H 1 3.86 0.02 . 1 . . . . 37 ALA HA . 16030 1 420 . 1 1 37 37 ALA HB1 H 1 0.41 0.02 . 1 . . . . 37 ALA HB . 16030 1 421 . 1 1 37 37 ALA HB2 H 1 0.41 0.02 . 1 . . . . 37 ALA HB . 16030 1 422 . 1 1 37 37 ALA HB3 H 1 0.41 0.02 . 1 . . . . 37 ALA HB . 16030 1 423 . 1 1 37 37 ALA CA C 13 52.9 0.05 . 1 . . . . 37 ALA CA . 16030 1 424 . 1 1 37 37 ALA CB C 13 16.3 0.05 . 1 . . . . 37 ALA CB . 16030 1 425 . 1 1 37 37 ALA N N 15 120.9 0.05 . 1 . . . . 37 ALA N . 16030 1 426 . 1 1 38 38 ALA H H 1 7.70 0.02 . 1 . . . . 38 ALA H . 16030 1 427 . 1 1 38 38 ALA HA H 1 4.21 0.02 . 1 . . . . 38 ALA HA . 16030 1 428 . 1 1 38 38 ALA HB1 H 1 1.79 0.02 . 1 . . . . 38 ALA HB . 16030 1 429 . 1 1 38 38 ALA HB2 H 1 1.79 0.02 . 1 . . . . 38 ALA HB . 16030 1 430 . 1 1 38 38 ALA HB3 H 1 1.79 0.02 . 1 . . . . 38 ALA HB . 16030 1 431 . 1 1 38 38 ALA CA C 13 55.1 0.05 . 1 . . . . 38 ALA CA . 16030 1 432 . 1 1 38 38 ALA CB C 13 20.5 0.05 . 1 . . . . 38 ALA CB . 16030 1 433 . 1 1 38 38 ALA N N 15 117.6 0.05 . 1 . . . . 38 ALA N . 16030 1 434 . 1 1 39 39 LEU H H 1 7.43 0.02 . 1 . . . . 39 LEU H . 16030 1 435 . 1 1 39 39 LEU HA H 1 4.05 0.02 . 1 . . . . 39 LEU HA . 16030 1 436 . 1 1 39 39 LEU HB2 H 1 1.60 0.02 . 2 . . . . 39 LEU HB2 . 16030 1 437 . 1 1 39 39 LEU HB3 H 1 1.92 0.02 . 2 . . . . 39 LEU HB3 . 16030 1 438 . 1 1 39 39 LEU HD11 H 1 0.86 0.02 . 2 . . . . 39 LEU HD1 . 16030 1 439 . 1 1 39 39 LEU HD12 H 1 0.86 0.02 . 2 . . . . 39 LEU HD1 . 16030 1 440 . 1 1 39 39 LEU HD13 H 1 0.86 0.02 . 2 . . . . 39 LEU HD1 . 16030 1 441 . 1 1 39 39 LEU HD21 H 1 0.95 0.02 . 2 . . . . 39 LEU HD2 . 16030 1 442 . 1 1 39 39 LEU HD22 H 1 0.95 0.02 . 2 . . . . 39 LEU HD2 . 16030 1 443 . 1 1 39 39 LEU HD23 H 1 0.95 0.02 . 2 . . . . 39 LEU HD2 . 16030 1 444 . 1 1 39 39 LEU HG H 1 1.61 0.02 . 1 . . . . 39 LEU HG . 16030 1 445 . 1 1 39 39 LEU CA C 13 60.5 0.05 . 1 . . . . 39 LEU CA . 16030 1 446 . 1 1 39 39 LEU CB C 13 39.2 0.05 . 1 . . . . 39 LEU CB . 16030 1 447 . 1 1 39 39 LEU CD1 C 13 24.4 0.05 . 1 . . . . 39 LEU CD1 . 16030 1 448 . 1 1 39 39 LEU CD2 C 13 25.4 0.05 . 1 . . . . 39 LEU CD2 . 16030 1 449 . 1 1 39 39 LEU CG C 13 26.7 0.05 . 1 . . . . 39 LEU CG . 16030 1 450 . 1 1 39 39 LEU N N 15 114.9 0.05 . 1 . . . . 39 LEU N . 16030 1 451 . 1 1 40 40 PRO HA H 1 4.18 0.02 . 1 . . . . 40 PRO HA . 16030 1 452 . 1 1 40 40 PRO HB2 H 1 1.36 0.02 . 2 . . . . 40 PRO HB2 . 16030 1 453 . 1 1 40 40 PRO HB3 H 1 2.09 0.02 . 2 . . . . 40 PRO HB3 . 16030 1 454 . 1 1 40 40 PRO HD2 H 1 3.80 0.02 . 2 . . . . 40 PRO HD2 . 16030 1 455 . 1 1 40 40 PRO HD3 H 1 3.50 0.02 . 2 . . . . 40 PRO HD3 . 16030 1 456 . 1 1 40 40 PRO HG2 H 1 1.84 0.02 . 2 . . . . 40 PRO HG2 . 16030 1 457 . 1 1 40 40 PRO HG3 H 1 1.61 0.02 . 2 . . . . 40 PRO HG3 . 16030 1 458 . 1 1 40 40 PRO CA C 13 65.1 0.05 . 1 . . . . 40 PRO CA . 16030 1 459 . 1 1 40 40 PRO CB C 13 30.6 0.05 . 1 . . . . 40 PRO CB . 16030 1 460 . 1 1 40 40 PRO CD C 13 49.9 0.05 . 1 . . . . 40 PRO CD . 16030 1 461 . 1 1 40 40 PRO CG C 13 28.1 0.05 . 1 . . . . 40 PRO CG . 16030 1 462 . 1 1 41 41 HIS H H 1 6.57 0.02 . 1 . . . . 41 HIS H . 16030 1 463 . 1 1 41 41 HIS HA H 1 4.74 0.02 . 1 . . . . 41 HIS HA . 16030 1 464 . 1 1 41 41 HIS HB2 H 1 3.72 0.02 . 2 . . . . 41 HIS HB2 . 16030 1 465 . 1 1 41 41 HIS HB3 H 1 2.87 0.02 . 2 . . . . 41 HIS HB3 . 16030 1 466 . 1 1 41 41 HIS HD2 H 1 7.60 0.02 . 1 . . . . 41 HIS HD2 . 16030 1 467 . 1 1 41 41 HIS HE1 H 1 7.86 0.02 . 1 . . . . 41 HIS HE1 . 16030 1 468 . 1 1 41 41 HIS CA C 13 58.8 0.05 . 1 . . . . 41 HIS CA . 16030 1 469 . 1 1 41 41 HIS CB C 13 30.8 0.05 . 1 . . . . 41 HIS CB . 16030 1 470 . 1 1 41 41 HIS CD2 C 13 116.8 0.05 . 1 . . . . 41 HIS CD2 . 16030 1 471 . 1 1 41 41 HIS CE1 C 13 136.1 0.05 . 1 . . . . 41 HIS CE1 . 16030 1 472 . 1 1 41 41 HIS N N 15 116.5 0.05 . 1 . . . . 41 HIS N . 16030 1 473 . 1 1 42 42 LEU H H 1 8.14 0.02 . 1 . . . . 42 LEU H . 16030 1 474 . 1 1 42 42 LEU HA H 1 4.12 0.02 . 1 . . . . 42 LEU HA . 16030 1 475 . 1 1 42 42 LEU HB2 H 1 1.56 0.02 . 2 . . . . 42 LEU HB2 . 16030 1 476 . 1 1 42 42 LEU HB3 H 1 1.89 0.02 . 2 . . . . 42 LEU HB3 . 16030 1 477 . 1 1 42 42 LEU HD11 H 1 0.87 0.02 . 2 . . . . 42 LEU HD1 . 16030 1 478 . 1 1 42 42 LEU HD12 H 1 0.87 0.02 . 2 . . . . 42 LEU HD1 . 16030 1 479 . 1 1 42 42 LEU HD13 H 1 0.87 0.02 . 2 . . . . 42 LEU HD1 . 16030 1 480 . 1 1 42 42 LEU HD21 H 1 1.04 0.02 . 2 . . . . 42 LEU HD2 . 16030 1 481 . 1 1 42 42 LEU HD22 H 1 1.04 0.02 . 2 . . . . 42 LEU HD2 . 16030 1 482 . 1 1 42 42 LEU HD23 H 1 1.04 0.02 . 2 . . . . 42 LEU HD2 . 16030 1 483 . 1 1 42 42 LEU HG H 1 1.26 0.02 . 1 . . . . 42 LEU HG . 16030 1 484 . 1 1 42 42 LEU CA C 13 57.8 0.05 . 1 . . . . 42 LEU CA . 16030 1 485 . 1 1 42 42 LEU CB C 13 42.1 0.05 . 1 . . . . 42 LEU CB . 16030 1 486 . 1 1 42 42 LEU CD1 C 13 27.0 0.05 . 1 . . . . 42 LEU CD1 . 16030 1 487 . 1 1 42 42 LEU CD2 C 13 22.4 0.05 . 1 . . . . 42 LEU CD2 . 16030 1 488 . 1 1 42 42 LEU CG C 13 26.9 0.05 . 1 . . . . 42 LEU CG . 16030 1 489 . 1 1 42 42 LEU N N 15 119.9 0.05 . 1 . . . . 42 LEU N . 16030 1 490 . 1 1 43 43 ARG H H 1 8.30 0.02 . 1 . . . . 43 ARG H . 16030 1 491 . 1 1 43 43 ARG HA H 1 3.74 0.02 . 1 . . . . 43 ARG HA . 16030 1 492 . 1 1 43 43 ARG HB2 H 1 1.48 0.02 . 2 . . . . 43 ARG HB2 . 16030 1 493 . 1 1 43 43 ARG HB3 H 1 1.74 0.02 . 2 . . . . 43 ARG HB3 . 16030 1 494 . 1 1 43 43 ARG HD2 H 1 3.03 0.02 . 2 . . . . 43 ARG HD2 . 16030 1 495 . 1 1 43 43 ARG HD3 H 1 3.03 0.02 . 2 . . . . 43 ARG HD3 . 16030 1 496 . 1 1 43 43 ARG HG2 H 1 0.86 0.02 . 2 . . . . 43 ARG HG2 . 16030 1 497 . 1 1 43 43 ARG HG3 H 1 1.90 0.02 . 2 . . . . 43 ARG HG3 . 16030 1 498 . 1 1 43 43 ARG CA C 13 59.7 0.05 . 1 . . . . 43 ARG CA . 16030 1 499 . 1 1 43 43 ARG CB C 13 28.3 0.05 . 1 . . . . 43 ARG CB . 16030 1 500 . 1 1 43 43 ARG CD C 13 43.1 0.05 . 1 . . . . 43 ARG CD . 16030 1 501 . 1 1 43 43 ARG CG C 13 29.8 0.05 . 1 . . . . 43 ARG CG . 16030 1 502 . 1 1 43 43 ARG N N 15 116.4 0.05 . 1 . . . . 43 ARG N . 16030 1 503 . 1 1 44 44 ALA H H 1 7.85 0.02 . 1 . . . . 44 ALA H . 16030 1 504 . 1 1 44 44 ALA HA H 1 4.06 0.02 . 1 . . . . 44 ALA HA . 16030 1 505 . 1 1 44 44 ALA HB1 H 1 1.51 0.02 . 1 . . . . 44 ALA HB . 16030 1 506 . 1 1 44 44 ALA HB2 H 1 1.51 0.02 . 1 . . . . 44 ALA HB . 16030 1 507 . 1 1 44 44 ALA HB3 H 1 1.51 0.02 . 1 . . . . 44 ALA HB . 16030 1 508 . 1 1 44 44 ALA CA C 13 54.6 0.05 . 1 . . . . 44 ALA CA . 16030 1 509 . 1 1 44 44 ALA CB C 13 17.0 0.05 . 1 . . . . 44 ALA CB . 16030 1 510 . 1 1 44 44 ALA N N 15 121.0 0.05 . 1 . . . . 44 ALA N . 16030 1 511 . 1 1 45 45 ALA H H 1 8.44 0.02 . 1 . . . . 45 ALA H . 16030 1 512 . 1 1 45 45 ALA HA H 1 4.27 0.02 . 1 . . . . 45 ALA HA . 16030 1 513 . 1 1 45 45 ALA HB1 H 1 1.73 0.02 . 1 . . . . 45 ALA HB . 16030 1 514 . 1 1 45 45 ALA HB2 H 1 1.73 0.02 . 1 . . . . 45 ALA HB . 16030 1 515 . 1 1 45 45 ALA HB3 H 1 1.73 0.02 . 1 . . . . 45 ALA HB . 16030 1 516 . 1 1 45 45 ALA CA C 13 56.2 0.05 . 1 . . . . 45 ALA CA . 16030 1 517 . 1 1 45 45 ALA CB C 13 17.0 0.05 . 1 . . . . 45 ALA CB . 16030 1 518 . 1 1 45 45 ALA N N 15 121.2 0.05 . 1 . . . . 45 ALA N . 16030 1 519 . 1 1 46 46 LEU H H 1 7.31 0.02 . 1 . . . . 46 LEU H . 16030 1 520 . 1 1 46 46 LEU HA H 1 4.01 0.02 . 1 . . . . 46 LEU HA . 16030 1 521 . 1 1 46 46 LEU HB2 H 1 0.80 0.02 . 2 . . . . 46 LEU HB2 . 16030 1 522 . 1 1 46 46 LEU HB3 H 1 1.42 0.02 . 2 . . . . 46 LEU HB3 . 16030 1 523 . 1 1 46 46 LEU HD11 H 1 -0.50 0.02 . 2 . . . . 46 LEU HD1 . 16030 1 524 . 1 1 46 46 LEU HD12 H 1 -0.50 0.02 . 2 . . . . 46 LEU HD1 . 16030 1 525 . 1 1 46 46 LEU HD13 H 1 -0.50 0.02 . 2 . . . . 46 LEU HD1 . 16030 1 526 . 1 1 46 46 LEU HD21 H 1 -0.07 0.02 . 2 . . . . 46 LEU HD2 . 16030 1 527 . 1 1 46 46 LEU HD22 H 1 -0.07 0.02 . 2 . . . . 46 LEU HD2 . 16030 1 528 . 1 1 46 46 LEU HD23 H 1 -0.07 0.02 . 2 . . . . 46 LEU HD2 . 16030 1 529 . 1 1 46 46 LEU HG H 1 1.15 0.02 . 1 . . . . 46 LEU HG . 16030 1 530 . 1 1 46 46 LEU CA C 13 55.9 0.05 . 1 . . . . 46 LEU CA . 16030 1 531 . 1 1 46 46 LEU CB C 13 42.2 0.05 . 1 . . . . 46 LEU CB . 16030 1 532 . 1 1 46 46 LEU CD1 C 13 25.4 0.05 . 1 . . . . 46 LEU CD1 . 16030 1 533 . 1 1 46 46 LEU CD2 C 13 21.3 0.05 . 1 . . . . 46 LEU CD2 . 16030 1 534 . 1 1 46 46 LEU CG C 13 26.8 0.05 . 1 . . . . 46 LEU CG . 16030 1 535 . 1 1 46 46 LEU N N 15 116.8 0.05 . 1 . . . . 46 LEU N . 16030 1 536 . 1 1 47 47 ASP H H 1 7.59 0.02 . 1 . . . . 47 ASP H . 16030 1 537 . 1 1 47 47 ASP HA H 1 4.44 0.02 . 1 . . . . 47 ASP HA . 16030 1 538 . 1 1 47 47 ASP HB2 H 1 2.48 0.02 . 2 . . . . 47 ASP HB2 . 16030 1 539 . 1 1 47 47 ASP HB3 H 1 2.58 0.02 . 2 . . . . 47 ASP HB3 . 16030 1 540 . 1 1 47 47 ASP CA C 13 55.5 0.05 . 1 . . . . 47 ASP CA . 16030 1 541 . 1 1 47 47 ASP CB C 13 39.2 0.05 . 1 . . . . 47 ASP CB . 16030 1 542 . 1 1 47 47 ASP N N 15 118.9 0.05 . 1 . . . . 47 ASP N . 16030 1 543 . 1 1 48 48 PHE H H 1 7.49 0.02 . 1 . . . . 48 PHE H . 16030 1 544 . 1 1 48 48 PHE HA H 1 4.45 0.02 . 1 . . . . 48 PHE HA . 16030 1 545 . 1 1 48 48 PHE HB2 H 1 3.20 0.02 . 2 . . . . 48 PHE HB2 . 16030 1 546 . 1 1 48 48 PHE HB3 H 1 3.20 0.02 . 2 . . . . 48 PHE HB3 . 16030 1 547 . 1 1 48 48 PHE HD1 H 1 7.26 0.02 . 3 . . . . 48 PHE HD1 . 16030 1 548 . 1 1 48 48 PHE HD2 H 1 7.26 0.02 . 3 . . . . 48 PHE HD2 . 16030 1 549 . 1 1 48 48 PHE HE1 H 1 7.23 0.02 . 3 . . . . 48 PHE HE1 . 16030 1 550 . 1 1 48 48 PHE HE2 H 1 7.23 0.02 . 3 . . . . 48 PHE HE2 . 16030 1 551 . 1 1 48 48 PHE HZ H 1 6.82 0.02 . 1 . . . . 48 PHE HZ . 16030 1 552 . 1 1 48 48 PHE CA C 13 61.2 0.05 . 1 . . . . 48 PHE CA . 16030 1 553 . 1 1 48 48 PHE CB C 13 39.6 0.05 . 1 . . . . 48 PHE CB . 16030 1 554 . 1 1 48 48 PHE CD1 C 13 131.2 0.05 . 1 . . . . 48 PHE CD1 . 16030 1 555 . 1 1 48 48 PHE CE1 C 13 131.1 0.05 . 1 . . . . 48 PHE CE1 . 16030 1 556 . 1 1 48 48 PHE CZ C 13 129.8 0.05 . 1 . . . . 48 PHE CZ . 16030 1 557 . 1 1 48 48 PHE N N 15 117.2 0.05 . 1 . . . . 48 PHE N . 16030 1 558 . 1 1 49 49 ASP H H 1 7.79 0.02 . 1 . . . . 49 ASP H . 16030 1 559 . 1 1 49 49 ASP HA H 1 4.98 0.02 . 1 . . . . 49 ASP HA . 16030 1 560 . 1 1 49 49 ASP HB2 H 1 2.57 0.02 . 2 . . . . 49 ASP HB2 . 16030 1 561 . 1 1 49 49 ASP HB3 H 1 2.99 0.02 . 2 . . . . 49 ASP HB3 . 16030 1 562 . 1 1 49 49 ASP CA C 13 51.0 0.05 . 1 . . . . 49 ASP CA . 16030 1 563 . 1 1 49 49 ASP CB C 13 41.8 0.05 . 1 . . . . 49 ASP CB . 16030 1 564 . 1 1 49 49 ASP N N 15 113.5 0.05 . 1 . . . . 49 ASP N . 16030 1 565 . 1 1 50 50 PRO HA H 1 4.78 0.02 . 1 . . . . 50 PRO HA . 16030 1 566 . 1 1 50 50 PRO HB2 H 1 2.64 0.02 . 2 . . . . 50 PRO HB2 . 16030 1 567 . 1 1 50 50 PRO HB3 H 1 2.26 0.02 . 2 . . . . 50 PRO HB3 . 16030 1 568 . 1 1 50 50 PRO HD2 H 1 3.98 0.02 . 2 . . . . 50 PRO HD2 . 16030 1 569 . 1 1 50 50 PRO HD3 H 1 3.61 0.02 . 2 . . . . 50 PRO HD3 . 16030 1 570 . 1 1 50 50 PRO HG2 H 1 2.06 0.02 . 2 . . . . 50 PRO HG2 . 16030 1 571 . 1 1 50 50 PRO HG3 H 1 2.25 0.02 . 2 . . . . 50 PRO HG3 . 16030 1 572 . 1 1 50 50 PRO CA C 13 64.0 0.05 . 1 . . . . 50 PRO CA . 16030 1 573 . 1 1 50 50 PRO CB C 13 32.0 0.05 . 1 . . . . 50 PRO CB . 16030 1 574 . 1 1 50 50 PRO CD C 13 50.3 0.05 . 1 . . . . 50 PRO CD . 16030 1 575 . 1 1 50 50 PRO CG C 13 26.6 0.05 . 1 . . . . 50 PRO CG . 16030 1 576 . 1 1 51 51 THR H H 1 8.64 0.02 . 1 . . . . 51 THR H . 16030 1 577 . 1 1 51 51 THR HA H 1 4.62 0.02 . 1 . . . . 51 THR HA . 16030 1 578 . 1 1 51 51 THR HB H 1 4.67 0.02 . 1 . . . . 51 THR HB . 16030 1 579 . 1 1 51 51 THR HG21 H 1 1.27 0.02 . 1 . . . . 51 THR HG2 . 16030 1 580 . 1 1 51 51 THR HG22 H 1 1.27 0.02 . 1 . . . . 51 THR HG2 . 16030 1 581 . 1 1 51 51 THR HG23 H 1 1.27 0.02 . 1 . . . . 51 THR HG2 . 16030 1 582 . 1 1 51 51 THR CA C 13 60.9 0.05 . 1 . . . . 51 THR CA . 16030 1 583 . 1 1 51 51 THR CB C 13 68.6 0.05 . 1 . . . . 51 THR CB . 16030 1 584 . 1 1 51 51 THR CG2 C 13 21.4 0.05 . 1 . . . . 51 THR CG2 . 16030 1 585 . 1 1 51 51 THR N N 15 111.9 0.05 . 1 . . . . 51 THR N . 16030 1 586 . 1 1 52 52 TYR H H 1 7.35 0.02 . 1 . . . . 52 TYR H . 16030 1 587 . 1 1 52 52 TYR HA H 1 4.82 0.02 . 1 . . . . 52 TYR HA . 16030 1 588 . 1 1 52 52 TYR HB2 H 1 3.26 0.02 . 2 . . . . 52 TYR HB2 . 16030 1 589 . 1 1 52 52 TYR HB3 H 1 2.96 0.02 . 2 . . . . 52 TYR HB3 . 16030 1 590 . 1 1 52 52 TYR HD1 H 1 6.93 0.02 . 3 . . . . 52 TYR HD1 . 16030 1 591 . 1 1 52 52 TYR HD2 H 1 6.93 0.02 . 3 . . . . 52 TYR HD2 . 16030 1 592 . 1 1 52 52 TYR HE1 H 1 6.18 0.02 . 3 . . . . 52 TYR HE1 . 16030 1 593 . 1 1 52 52 TYR HE2 H 1 6.18 0.02 . 3 . . . . 52 TYR HE2 . 16030 1 594 . 1 1 52 52 TYR CA C 13 56.1 0.05 . 1 . . . . 52 TYR CA . 16030 1 595 . 1 1 52 52 TYR CB C 13 35.9 0.05 . 1 . . . . 52 TYR CB . 16030 1 596 . 1 1 52 52 TYR CD1 C 13 131.7 0.05 . 1 . . . . 52 TYR CD1 . 16030 1 597 . 1 1 52 52 TYR CE1 C 13 117.8 0.05 . 1 . . . . 52 TYR CE1 . 16030 1 598 . 1 1 52 52 TYR N N 15 122.6 0.05 . 1 . . . . 52 TYR N . 16030 1 599 . 1 1 53 53 SER H H 1 8.48 0.02 . 1 . . . . 53 SER H . 16030 1 600 . 1 1 53 53 SER HA H 1 4.17 0.02 . 1 . . . . 53 SER HA . 16030 1 601 . 1 1 53 53 SER HB2 H 1 3.84 0.02 . 2 . . . . 53 SER HB2 . 16030 1 602 . 1 1 53 53 SER HB3 H 1 3.95 0.02 . 2 . . . . 53 SER HB3 . 16030 1 603 . 1 1 53 53 SER CA C 13 62.9 0.05 . 1 . . . . 53 SER CA . 16030 1 604 . 1 1 53 53 SER CB C 13 62.9 0.05 . 1 . . . . 53 SER CB . 16030 1 605 . 1 1 53 53 SER N N 15 127.1 0.05 . 1 . . . . 53 SER N . 16030 1 606 . 1 1 54 54 VAL H H 1 7.86 0.02 . 1 . . . . 54 VAL H . 16030 1 607 . 1 1 54 54 VAL HA H 1 3.85 0.02 . 1 . . . . 54 VAL HA . 16030 1 608 . 1 1 54 54 VAL HB H 1 1.90 0.02 . 1 . . . . 54 VAL HB . 16030 1 609 . 1 1 54 54 VAL HG11 H 1 0.89 0.02 . 2 . . . . 54 VAL HG1 . 16030 1 610 . 1 1 54 54 VAL HG12 H 1 0.89 0.02 . 2 . . . . 54 VAL HG1 . 16030 1 611 . 1 1 54 54 VAL HG13 H 1 0.89 0.02 . 2 . . . . 54 VAL HG1 . 16030 1 612 . 1 1 54 54 VAL HG21 H 1 0.57 0.02 . 2 . . . . 54 VAL HG2 . 16030 1 613 . 1 1 54 54 VAL HG22 H 1 0.57 0.02 . 2 . . . . 54 VAL HG2 . 16030 1 614 . 1 1 54 54 VAL HG23 H 1 0.57 0.02 . 2 . . . . 54 VAL HG2 . 16030 1 615 . 1 1 54 54 VAL CA C 13 65.5 0.05 . 1 . . . . 54 VAL CA . 16030 1 616 . 1 1 54 54 VAL CB C 13 31.2 0.05 . 1 . . . . 54 VAL CB . 16030 1 617 . 1 1 54 54 VAL CG1 C 13 22.8 0.05 . 1 . . . . 54 VAL CG1 . 16030 1 618 . 1 1 54 54 VAL CG2 C 13 21.2 0.05 . 1 . . . . 54 VAL CG2 . 16030 1 619 . 1 1 54 54 VAL N N 15 116.8 0.05 . 1 . . . . 54 VAL N . 16030 1 620 . 1 1 55 55 ALA H H 1 7.12 0.02 . 1 . . . . 55 ALA H . 16030 1 621 . 1 1 55 55 ALA HA H 1 4.49 0.02 . 1 . . . . 55 ALA HA . 16030 1 622 . 1 1 55 55 ALA HB1 H 1 1.46 0.02 . 1 . . . . 55 ALA HB . 16030 1 623 . 1 1 55 55 ALA HB2 H 1 1.46 0.02 . 1 . . . . 55 ALA HB . 16030 1 624 . 1 1 55 55 ALA HB3 H 1 1.46 0.02 . 1 . . . . 55 ALA HB . 16030 1 625 . 1 1 55 55 ALA CA C 13 55.7 0.05 . 1 . . . . 55 ALA CA . 16030 1 626 . 1 1 55 55 ALA CB C 13 16.7 0.05 . 1 . . . . 55 ALA CB . 16030 1 627 . 1 1 55 55 ALA N N 15 123.0 0.05 . 1 . . . . 55 ALA N . 16030 1 628 . 1 1 56 56 TRP H H 1 7.34 0.02 . 1 . . . . 56 TRP H . 16030 1 629 . 1 1 56 56 TRP HA H 1 4.16 0.02 . 1 . . . . 56 TRP HA . 16030 1 630 . 1 1 56 56 TRP HB2 H 1 3.48 0.02 . 2 . . . . 56 TRP HB2 . 16030 1 631 . 1 1 56 56 TRP HB3 H 1 3.56 0.02 . 2 . . . . 56 TRP HB3 . 16030 1 632 . 1 1 56 56 TRP HD1 H 1 6.61 0.02 . 1 . . . . 56 TRP HD1 . 16030 1 633 . 1 1 56 56 TRP HE1 H 1 10.21 0.02 . 1 . . . . 56 TRP HE1 . 16030 1 634 . 1 1 56 56 TRP HE3 H 1 6.85 0.02 . 1 . . . . 56 TRP HE3 . 16030 1 635 . 1 1 56 56 TRP HH2 H 1 7.23 0.02 . 1 . . . . 56 TRP HH2 . 16030 1 636 . 1 1 56 56 TRP HZ2 H 1 7.53 0.02 . 1 . . . . 56 TRP HZ2 . 16030 1 637 . 1 1 56 56 TRP HZ3 H 1 7.17 0.02 . 1 . . . . 56 TRP HZ3 . 16030 1 638 . 1 1 56 56 TRP CA C 13 60.7 0.05 . 1 . . . . 56 TRP CA . 16030 1 639 . 1 1 56 56 TRP CB C 13 30.1 0.05 . 1 . . . . 56 TRP CB . 16030 1 640 . 1 1 56 56 TRP CD1 C 13 125.1 0.05 . 1 . . . . 56 TRP CD1 . 16030 1 641 . 1 1 56 56 TRP CE3 C 13 120.4 0.05 . 1 . . . . 56 TRP CE3 . 16030 1 642 . 1 1 56 56 TRP CH2 C 13 125.1 0.05 . 1 . . . . 56 TRP CH2 . 16030 1 643 . 1 1 56 56 TRP CZ2 C 13 114.2 0.05 . 1 . . . . 56 TRP CZ2 . 16030 1 644 . 1 1 56 56 TRP CZ3 C 13 121.6 0.05 . 1 . . . . 56 TRP CZ3 . 16030 1 645 . 1 1 56 56 TRP N N 15 119.3 0.05 . 1 . . . . 56 TRP N . 16030 1 646 . 1 1 56 56 TRP NE1 N 15 130.5 0.05 . 1 . . . . 56 TRP NE1 . 16030 1 647 . 1 1 57 57 LYS H H 1 8.33 0.02 . 1 . . . . 57 LYS H . 16030 1 648 . 1 1 57 57 LYS HA H 1 3.97 0.02 . 1 . . . . 57 LYS HA . 16030 1 649 . 1 1 57 57 LYS HB2 H 1 2.64 0.02 . 2 . . . . 57 LYS HB2 . 16030 1 650 . 1 1 57 57 LYS HB3 H 1 2.25 0.02 . 2 . . . . 57 LYS HB3 . 16030 1 651 . 1 1 57 57 LYS HD2 H 1 1.61 0.02 . 2 . . . . 57 LYS HD2 . 16030 1 652 . 1 1 57 57 LYS HD3 H 1 1.61 0.02 . 2 . . . . 57 LYS HD3 . 16030 1 653 . 1 1 57 57 LYS HE2 H 1 2.88 0.02 . 2 . . . . 57 LYS HE2 . 16030 1 654 . 1 1 57 57 LYS HE3 H 1 2.88 0.02 . 2 . . . . 57 LYS HE3 . 16030 1 655 . 1 1 57 57 LYS HG2 H 1 1.53 0.02 . 2 . . . . 57 LYS HG2 . 16030 1 656 . 1 1 57 57 LYS HG3 H 1 1.34 0.02 . 2 . . . . 57 LYS HG3 . 16030 1 657 . 1 1 57 57 LYS CA C 13 59.3 0.05 . 1 . . . . 57 LYS CA . 16030 1 658 . 1 1 57 57 LYS CB C 13 34.4 0.05 . 1 . . . . 57 LYS CB . 16030 1 659 . 1 1 57 57 LYS CD C 13 29.1 0.05 . 1 . . . . 57 LYS CD . 16030 1 660 . 1 1 57 57 LYS CE C 13 41.8 0.05 . 1 . . . . 57 LYS CE . 16030 1 661 . 1 1 57 57 LYS CG C 13 25.1 0.05 . 1 . . . . 57 LYS CG . 16030 1 662 . 1 1 57 57 LYS N N 15 117.7 0.05 . 1 . . . . 57 LYS N . 16030 1 663 . 1 1 58 58 TRP H H 1 8.17 0.02 . 1 . . . . 58 TRP H . 16030 1 664 . 1 1 58 58 TRP HA H 1 4.23 0.02 . 1 . . . . 58 TRP HA . 16030 1 665 . 1 1 58 58 TRP HB2 H 1 3.33 0.02 . 2 . . . . 58 TRP HB2 . 16030 1 666 . 1 1 58 58 TRP HB3 H 1 3.23 0.02 . 2 . . . . 58 TRP HB3 . 16030 1 667 . 1 1 58 58 TRP HD1 H 1 7.95 0.02 . 1 . . . . 58 TRP HD1 . 16030 1 668 . 1 1 58 58 TRP HE1 H 1 11.06 0.02 . 1 . . . . 58 TRP HE1 . 16030 1 669 . 1 1 58 58 TRP HE3 H 1 7.43 0.02 . 1 . . . . 58 TRP HE3 . 16030 1 670 . 1 1 58 58 TRP HH2 H 1 7.44 0.02 . 1 . . . . 58 TRP HH2 . 16030 1 671 . 1 1 58 58 TRP HZ2 H 1 7.68 0.02 . 1 . . . . 58 TRP HZ2 . 16030 1 672 . 1 1 58 58 TRP HZ3 H 1 7.06 0.02 . 1 . . . . 58 TRP HZ3 . 16030 1 673 . 1 1 58 58 TRP CA C 13 61.6 0.05 . 1 . . . . 58 TRP CA . 16030 1 674 . 1 1 58 58 TRP CB C 13 29.0 0.05 . 1 . . . . 58 TRP CB . 16030 1 675 . 1 1 58 58 TRP CD1 C 13 126.7 0.05 . 1 . . . . 58 TRP CD1 . 16030 1 676 . 1 1 58 58 TRP CE3 C 13 117.2 0.05 . 1 . . . . 58 TRP CE3 . 16030 1 677 . 1 1 58 58 TRP CH2 C 13 125.7 0.05 . 1 . . . . 58 TRP CH2 . 16030 1 678 . 1 1 58 58 TRP CZ2 C 13 114.8 0.05 . 1 . . . . 58 TRP CZ2 . 16030 1 679 . 1 1 58 58 TRP CZ3 C 13 122.2 0.05 . 1 . . . . 58 TRP CZ3 . 16030 1 680 . 1 1 58 58 TRP N N 15 119.1 0.05 . 1 . . . . 58 TRP N . 16030 1 681 . 1 1 58 58 TRP NE1 N 15 132.0 0.05 . 1 . . . . 58 TRP NE1 . 16030 1 682 . 1 1 59 59 LEU H H 1 9.50 0.02 . 1 . . . . 59 LEU H . 16030 1 683 . 1 1 59 59 LEU HA H 1 4.09 0.02 . 1 . . . . 59 LEU HA . 16030 1 684 . 1 1 59 59 LEU HB2 H 1 2.09 0.02 . 2 . . . . 59 LEU HB2 . 16030 1 685 . 1 1 59 59 LEU HB3 H 1 1.40 0.02 . 2 . . . . 59 LEU HB3 . 16030 1 686 . 1 1 59 59 LEU HD11 H 1 0.89 0.02 . 2 . . . . 59 LEU HD1 . 16030 1 687 . 1 1 59 59 LEU HD12 H 1 0.89 0.02 . 2 . . . . 59 LEU HD1 . 16030 1 688 . 1 1 59 59 LEU HD13 H 1 0.89 0.02 . 2 . . . . 59 LEU HD1 . 16030 1 689 . 1 1 59 59 LEU HD21 H 1 0.78 0.02 . 2 . . . . 59 LEU HD2 . 16030 1 690 . 1 1 59 59 LEU HD22 H 1 0.78 0.02 . 2 . . . . 59 LEU HD2 . 16030 1 691 . 1 1 59 59 LEU HD23 H 1 0.78 0.02 . 2 . . . . 59 LEU HD2 . 16030 1 692 . 1 1 59 59 LEU HG H 1 1.33 0.02 . 1 . . . . 59 LEU HG . 16030 1 693 . 1 1 59 59 LEU CA C 13 58.5 0.05 . 1 . . . . 59 LEU CA . 16030 1 694 . 1 1 59 59 LEU CB C 13 41.3 0.05 . 1 . . . . 59 LEU CB . 16030 1 695 . 1 1 59 59 LEU CD1 C 13 26.6 0.05 . 1 . . . . 59 LEU CD1 . 16030 1 696 . 1 1 59 59 LEU CD2 C 13 24.1 0.05 . 1 . . . . 59 LEU CD2 . 16030 1 697 . 1 1 59 59 LEU CG C 13 26.8 0.05 . 1 . . . . 59 LEU CG . 16030 1 698 . 1 1 59 59 LEU N N 15 127.3 0.05 . 1 . . . . 59 LEU N . 16030 1 699 . 1 1 60 60 GLY H H 1 8.48 0.02 . 1 . . . . 60 GLY H . 16030 1 700 . 1 1 60 60 GLY HA2 H 1 3.05 0.02 . 2 . . . . 60 GLY HA2 . 16030 1 701 . 1 1 60 60 GLY HA3 H 1 2.25 0.02 . 2 . . . . 60 GLY HA3 . 16030 1 702 . 1 1 60 60 GLY CA C 13 47.5 0.05 . 1 . . . . 60 GLY CA . 16030 1 703 . 1 1 60 60 GLY N N 15 105.1 0.05 . 1 . . . . 60 GLY N . 16030 1 704 . 1 1 61 61 LYS H H 1 7.68 0.02 . 1 . . . . 61 LYS H . 16030 1 705 . 1 1 61 61 LYS HA H 1 3.89 0.02 . 1 . . . . 61 LYS HA . 16030 1 706 . 1 1 61 61 LYS HB2 H 1 1.89 0.02 . 2 . . . . 61 LYS HB2 . 16030 1 707 . 1 1 61 61 LYS HB3 H 1 1.73 0.02 . 2 . . . . 61 LYS HB3 . 16030 1 708 . 1 1 61 61 LYS HD2 H 1 1.04 0.02 . 2 . . . . 61 LYS HD2 . 16030 1 709 . 1 1 61 61 LYS HD3 H 1 0.55 0.02 . 2 . . . . 61 LYS HD3 . 16030 1 710 . 1 1 61 61 LYS HE2 H 1 2.58 0.02 . 2 . . . . 61 LYS HE2 . 16030 1 711 . 1 1 61 61 LYS HE3 H 1 2.36 0.02 . 2 . . . . 61 LYS HE3 . 16030 1 712 . 1 1 61 61 LYS HG2 H 1 1.44 0.02 . 2 . . . . 61 LYS HG2 . 16030 1 713 . 1 1 61 61 LYS HG3 H 1 1.35 0.02 . 2 . . . . 61 LYS HG3 . 16030 1 714 . 1 1 61 61 LYS CA C 13 59.3 0.05 . 1 . . . . 61 LYS CA . 16030 1 715 . 1 1 61 61 LYS CB C 13 32.0 0.05 . 1 . . . . 61 LYS CB . 16030 1 716 . 1 1 61 61 LYS CD C 13 28.2 0.05 . 1 . . . . 61 LYS CD . 16030 1 717 . 1 1 61 61 LYS CE C 13 40.4 0.05 . 1 . . . . 61 LYS CE . 16030 1 718 . 1 1 61 61 LYS CG C 13 24.7 0.05 . 1 . . . . 61 LYS CG . 16030 1 719 . 1 1 61 61 LYS N N 15 118.6 0.05 . 1 . . . . 61 LYS N . 16030 1 720 . 1 1 62 62 THR H H 1 8.03 0.02 . 1 . . . . 62 THR H . 16030 1 721 . 1 1 62 62 THR HA H 1 3.78 0.02 . 1 . . . . 62 THR HA . 16030 1 722 . 1 1 62 62 THR HB H 1 3.95 0.02 . 1 . . . . 62 THR HB . 16030 1 723 . 1 1 62 62 THR HG21 H 1 1.28 0.02 . 1 . . . . 62 THR HG2 . 16030 1 724 . 1 1 62 62 THR HG22 H 1 1.28 0.02 . 1 . . . . 62 THR HG2 . 16030 1 725 . 1 1 62 62 THR HG23 H 1 1.28 0.02 . 1 . . . . 62 THR HG2 . 16030 1 726 . 1 1 62 62 THR CA C 13 67.4 0.05 . 1 . . . . 62 THR CA . 16030 1 727 . 1 1 62 62 THR CB C 13 66.3 0.05 . 1 . . . . 62 THR CB . 16030 1 728 . 1 1 62 62 THR CG2 C 13 22.9 0.05 . 1 . . . . 62 THR CG2 . 16030 1 729 . 1 1 62 62 THR N N 15 120.1 0.05 . 1 . . . . 62 THR N . 16030 1 730 . 1 1 63 63 LEU H H 1 8.09 0.02 . 1 . . . . 63 LEU H . 16030 1 731 . 1 1 63 63 LEU HA H 1 4.08 0.02 . 1 . . . . 63 LEU HA . 16030 1 732 . 1 1 63 63 LEU HB2 H 1 1.22 0.02 . 2 . . . . 63 LEU HB2 . 16030 1 733 . 1 1 63 63 LEU HB3 H 1 1.41 0.02 . 2 . . . . 63 LEU HB3 . 16030 1 734 . 1 1 63 63 LEU HD11 H 1 0.46 0.02 . 2 . . . . 63 LEU HD1 . 16030 1 735 . 1 1 63 63 LEU HD12 H 1 0.46 0.02 . 2 . . . . 63 LEU HD1 . 16030 1 736 . 1 1 63 63 LEU HD13 H 1 0.46 0.02 . 2 . . . . 63 LEU HD1 . 16030 1 737 . 1 1 63 63 LEU HD21 H 1 0.91 0.02 . 2 . . . . 63 LEU HD2 . 16030 1 738 . 1 1 63 63 LEU HD22 H 1 0.91 0.02 . 2 . . . . 63 LEU HD2 . 16030 1 739 . 1 1 63 63 LEU HD23 H 1 0.91 0.02 . 2 . . . . 63 LEU HD2 . 16030 1 740 . 1 1 63 63 LEU HG H 1 1.53 0.02 . 1 . . . . 63 LEU HG . 16030 1 741 . 1 1 63 63 LEU CA C 13 57.8 0.05 . 1 . . . . 63 LEU CA . 16030 1 742 . 1 1 63 63 LEU CB C 13 40.8 0.05 . 1 . . . . 63 LEU CB . 16030 1 743 . 1 1 63 63 LEU CD1 C 13 26.6 0.05 . 1 . . . . 63 LEU CD1 . 16030 1 744 . 1 1 63 63 LEU CD2 C 13 22.1 0.05 . 1 . . . . 63 LEU CD2 . 16030 1 745 . 1 1 63 63 LEU CG C 13 26.6 0.05 . 1 . . . . 63 LEU CG . 16030 1 746 . 1 1 63 63 LEU N N 15 121.4 0.05 . 1 . . . . 63 LEU N . 16030 1 747 . 1 1 64 64 GLN H H 1 8.30 0.02 . 1 . . . . 64 GLN H . 16030 1 748 . 1 1 64 64 GLN HA H 1 3.40 0.02 . 1 . . . . 64 GLN HA . 16030 1 749 . 1 1 64 64 GLN HB2 H 1 1.56 0.02 . 2 . . . . 64 GLN HB2 . 16030 1 750 . 1 1 64 64 GLN HB3 H 1 1.96 0.02 . 2 . . . . 64 GLN HB3 . 16030 1 751 . 1 1 64 64 GLN HE21 H 1 6.71 0.02 . 2 . . . . 64 GLN HE21 . 16030 1 752 . 1 1 64 64 GLN HE22 H 1 7.63 0.02 . 2 . . . . 64 GLN HE22 . 16030 1 753 . 1 1 64 64 GLN HG2 H 1 2.13 0.02 . 2 . . . . 64 GLN HG2 . 16030 1 754 . 1 1 64 64 GLN HG3 H 1 2.07 0.02 . 2 . . . . 64 GLN HG3 . 16030 1 755 . 1 1 64 64 GLN CA C 13 59.3 0.05 . 1 . . . . 64 GLN CA . 16030 1 756 . 1 1 64 64 GLN CB C 13 28.1 0.05 . 1 . . . . 64 GLN CB . 16030 1 757 . 1 1 64 64 GLN CG C 13 33.7 0.05 . 1 . . . . 64 GLN CG . 16030 1 758 . 1 1 64 64 GLN N N 15 119.5 0.05 . 1 . . . . 64 GLN N . 16030 1 759 . 1 1 64 64 GLN NE2 N 15 114.0 0.05 . 1 . . . . 64 GLN NE2 . 16030 1 760 . 1 1 65 65 GLY H H 1 7.72 0.02 . 1 . . . . 65 GLY H . 16030 1 761 . 1 1 65 65 GLY HA2 H 1 2.30 0.02 . 2 . . . . 65 GLY HA2 . 16030 1 762 . 1 1 65 65 GLY HA3 H 1 3.43 0.02 . 2 . . . . 65 GLY HA3 . 16030 1 763 . 1 1 65 65 GLY CA C 13 46.0 0.05 . 1 . . . . 65 GLY CA . 16030 1 764 . 1 1 65 65 GLY N N 15 110.3 0.05 . 1 . . . . 65 GLY N . 16030 1 765 . 1 1 66 66 GLN H H 1 7.25 0.02 . 1 . . . . 66 GLN H . 16030 1 766 . 1 1 66 66 GLN HA H 1 4.27 0.02 . 1 . . . . 66 GLN HA . 16030 1 767 . 1 1 66 66 GLN HB2 H 1 2.15 0.02 . 2 . . . . 66 GLN HB2 . 16030 1 768 . 1 1 66 66 GLN HB3 H 1 2.15 0.02 . 2 . . . . 66 GLN HB3 . 16030 1 769 . 1 1 66 66 GLN HE21 H 1 7.23 0.02 . 2 . . . . 66 GLN HE21 . 16030 1 770 . 1 1 66 66 GLN HE22 H 1 6.72 0.02 . 2 . . . . 66 GLN HE22 . 16030 1 771 . 1 1 66 66 GLN HG2 H 1 2.23 0.02 . 2 . . . . 66 GLN HG2 . 16030 1 772 . 1 1 66 66 GLN HG3 H 1 2.23 0.02 . 2 . . . . 66 GLN HG3 . 16030 1 773 . 1 1 66 66 GLN CA C 13 55.9 0.05 . 1 . . . . 66 GLN CA . 16030 1 774 . 1 1 66 66 GLN CB C 13 30.0 0.05 . 1 . . . . 66 GLN CB . 16030 1 775 . 1 1 66 66 GLN CG C 13 32.1 0.05 . 1 . . . . 66 GLN CG . 16030 1 776 . 1 1 66 66 GLN N N 15 117.5 0.05 . 1 . . . . 66 GLN N . 16030 1 777 . 1 1 66 66 GLN NE2 N 15 113.9 0.05 . 1 . . . . 66 GLN NE2 . 16030 1 778 . 1 1 67 67 GLY H H 1 7.80 0.02 . 1 . . . . 67 GLY H . 16030 1 779 . 1 1 67 67 GLY HA2 H 1 4.23 0.02 . 2 . . . . 67 GLY HA2 . 16030 1 780 . 1 1 67 67 GLY HA3 H 1 3.66 0.02 . 2 . . . . 67 GLY HA3 . 16030 1 781 . 1 1 67 67 GLY CA C 13 44.8 0.05 . 1 . . . . 67 GLY CA . 16030 1 782 . 1 1 67 67 GLY N N 15 107.4 0.05 . 1 . . . . 67 GLY N . 16030 1 783 . 1 1 68 68 ASP H H 1 8.10 0.02 . 1 . . . . 68 ASP H . 16030 1 784 . 1 1 68 68 ASP HA H 1 4.78 0.02 . 1 . . . . 68 ASP HA . 16030 1 785 . 1 1 68 68 ASP HB2 H 1 2.77 0.02 . 2 . . . . 68 ASP HB2 . 16030 1 786 . 1 1 68 68 ASP HB3 H 1 2.77 0.02 . 2 . . . . 68 ASP HB3 . 16030 1 787 . 1 1 68 68 ASP CA C 13 51.1 0.05 . 1 . . . . 68 ASP CA . 16030 1 788 . 1 1 68 68 ASP CB C 13 38.8 0.05 . 1 . . . . 68 ASP CB . 16030 1 789 . 1 1 68 68 ASP N N 15 121.6 0.05 . 1 . . . . 68 ASP N . 16030 1 790 . 1 1 69 69 ARG H H 1 7.77 0.02 . 1 . . . . 69 ARG H . 16030 1 791 . 1 1 69 69 ARG HA H 1 3.65 0.02 . 1 . . . . 69 ARG HA . 16030 1 792 . 1 1 69 69 ARG HB2 H 1 1.69 0.02 . 2 . . . . 69 ARG HB2 . 16030 1 793 . 1 1 69 69 ARG HB3 H 1 1.50 0.02 . 2 . . . . 69 ARG HB3 . 16030 1 794 . 1 1 69 69 ARG HD2 H 1 3.22 0.02 . 2 . . . . 69 ARG HD2 . 16030 1 795 . 1 1 69 69 ARG HD3 H 1 3.22 0.02 . 2 . . . . 69 ARG HD3 . 16030 1 796 . 1 1 69 69 ARG HG2 H 1 1.58 0.02 . 2 . . . . 69 ARG HG2 . 16030 1 797 . 1 1 69 69 ARG HG3 H 1 1.80 0.02 . 2 . . . . 69 ARG HG3 . 16030 1 798 . 1 1 69 69 ARG CA C 13 59.8 0.05 . 1 . . . . 69 ARG CA . 16030 1 799 . 1 1 69 69 ARG CB C 13 28.7 0.05 . 1 . . . . 69 ARG CB . 16030 1 800 . 1 1 69 69 ARG CD C 13 43.1 0.05 . 1 . . . . 69 ARG CD . 16030 1 801 . 1 1 69 69 ARG CG C 13 27.3 0.05 . 1 . . . . 69 ARG CG . 16030 1 802 . 1 1 69 69 ARG N N 15 123.7 0.05 . 1 . . . . 69 ARG N . 16030 1 803 . 1 1 70 70 ALA H H 1 8.49 0.02 . 1 . . . . 70 ALA H . 16030 1 804 . 1 1 70 70 ALA HA H 1 4.04 0.02 . 1 . . . . 70 ALA HA . 16030 1 805 . 1 1 70 70 ALA HB1 H 1 1.39 0.02 . 1 . . . . 70 ALA HB . 16030 1 806 . 1 1 70 70 ALA HB2 H 1 1.39 0.02 . 1 . . . . 70 ALA HB . 16030 1 807 . 1 1 70 70 ALA HB3 H 1 1.39 0.02 . 1 . . . . 70 ALA HB . 16030 1 808 . 1 1 70 70 ALA CA C 13 54.7 0.05 . 1 . . . . 70 ALA CA . 16030 1 809 . 1 1 70 70 ALA CB C 13 17.8 0.05 . 1 . . . . 70 ALA CB . 16030 1 810 . 1 1 70 70 ALA N N 15 122.4 0.05 . 1 . . . . 70 ALA N . 16030 1 811 . 1 1 71 71 GLY H H 1 8.54 0.02 . 1 . . . . 71 GLY H . 16030 1 812 . 1 1 71 71 GLY HA2 H 1 3.57 0.02 . 2 . . . . 71 GLY HA2 . 16030 1 813 . 1 1 71 71 GLY HA3 H 1 3.71 0.02 . 2 . . . . 71 GLY HA3 . 16030 1 814 . 1 1 71 71 GLY CA C 13 47.1 0.05 . 1 . . . . 71 GLY CA . 16030 1 815 . 1 1 71 71 GLY N N 15 109.1 0.05 . 1 . . . . 71 GLY N . 16030 1 816 . 1 1 72 72 ALA H H 1 8.06 0.02 . 1 . . . . 72 ALA H . 16030 1 817 . 1 1 72 72 ALA HA H 1 3.31 0.02 . 1 . . . . 72 ALA HA . 16030 1 818 . 1 1 72 72 ALA HB1 H 1 0.60 0.02 . 1 . . . . 72 ALA HB . 16030 1 819 . 1 1 72 72 ALA HB2 H 1 0.60 0.02 . 1 . . . . 72 ALA HB . 16030 1 820 . 1 1 72 72 ALA HB3 H 1 0.60 0.02 . 1 . . . . 72 ALA HB . 16030 1 821 . 1 1 72 72 ALA CA C 13 55.2 0.05 . 1 . . . . 72 ALA CA . 16030 1 822 . 1 1 72 72 ALA CB C 13 17.2 0.05 . 1 . . . . 72 ALA CB . 16030 1 823 . 1 1 72 72 ALA N N 15 126.6 0.05 . 1 . . . . 72 ALA N . 16030 1 824 . 1 1 73 73 ARG H H 1 7.84 0.02 . 1 . . . . 73 ARG H . 16030 1 825 . 1 1 73 73 ARG HA H 1 3.76 0.02 . 1 . . . . 73 ARG HA . 16030 1 826 . 1 1 73 73 ARG HB2 H 1 1.92 0.02 . 2 . . . . 73 ARG HB2 . 16030 1 827 . 1 1 73 73 ARG HB3 H 1 1.58 0.02 . 2 . . . . 73 ARG HB3 . 16030 1 828 . 1 1 73 73 ARG HD2 H 1 3.03 0.02 . 2 . . . . 73 ARG HD2 . 16030 1 829 . 1 1 73 73 ARG HD3 H 1 3.03 0.02 . 2 . . . . 73 ARG HD3 . 16030 1 830 . 1 1 73 73 ARG HG2 H 1 1.49 0.02 . 2 . . . . 73 ARG HG2 . 16030 1 831 . 1 1 73 73 ARG HG3 H 1 1.72 0.02 . 2 . . . . 73 ARG HG3 . 16030 1 832 . 1 1 73 73 ARG CA C 13 59.7 0.05 . 1 . . . . 73 ARG CA . 16030 1 833 . 1 1 73 73 ARG CB C 13 29.8 0.05 . 1 . . . . 73 ARG CB . 16030 1 834 . 1 1 73 73 ARG CD C 13 43.1 0.05 . 1 . . . . 73 ARG CD . 16030 1 835 . 1 1 73 73 ARG CG C 13 28.3 0.05 . 1 . . . . 73 ARG CG . 16030 1 836 . 1 1 73 73 ARG N N 15 116.3 0.05 . 1 . . . . 73 ARG N . 16030 1 837 . 1 1 74 74 GLN H H 1 7.69 0.02 . 1 . . . . 74 GLN H . 16030 1 838 . 1 1 74 74 GLN HA H 1 3.97 0.02 . 1 . . . . 74 GLN HA . 16030 1 839 . 1 1 74 74 GLN HB2 H 1 2.08 0.02 . 2 . . . . 74 GLN HB2 . 16030 1 840 . 1 1 74 74 GLN HB3 H 1 2.08 0.02 . 2 . . . . 74 GLN HB3 . 16030 1 841 . 1 1 74 74 GLN HE21 H 1 7.43 0.02 . 2 . . . . 74 GLN HE21 . 16030 1 842 . 1 1 74 74 GLN HE22 H 1 6.89 0.02 . 2 . . . . 74 GLN HE22 . 16030 1 843 . 1 1 74 74 GLN HG2 H 1 2.36 0.02 . 2 . . . . 74 GLN HG2 . 16030 1 844 . 1 1 74 74 GLN HG3 H 1 2.36 0.02 . 2 . . . . 74 GLN HG3 . 16030 1 845 . 1 1 74 74 GLN CA C 13 58.8 0.05 . 1 . . . . 74 GLN CA . 16030 1 846 . 1 1 74 74 GLN CB C 13 28.4 0.05 . 1 . . . . 74 GLN CB . 16030 1 847 . 1 1 74 74 GLN CG C 13 33.6 0.05 . 1 . . . . 74 GLN CG . 16030 1 848 . 1 1 74 74 GLN N N 15 116.5 0.05 . 1 . . . . 74 GLN N . 16030 1 849 . 1 1 74 74 GLN NE2 N 15 115.7 0.05 . 1 . . . . 74 GLN NE2 . 16030 1 850 . 1 1 75 75 ALA H H 1 8.16 0.02 . 1 . . . . 75 ALA H . 16030 1 851 . 1 1 75 75 ALA HA H 1 4.35 0.02 . 1 . . . . 75 ALA HA . 16030 1 852 . 1 1 75 75 ALA HB1 H 1 1.44 0.02 . 1 . . . . 75 ALA HB . 16030 1 853 . 1 1 75 75 ALA HB2 H 1 1.44 0.02 . 1 . . . . 75 ALA HB . 16030 1 854 . 1 1 75 75 ALA HB3 H 1 1.44 0.02 . 1 . . . . 75 ALA HB . 16030 1 855 . 1 1 75 75 ALA CA C 13 54.4 0.05 . 1 . . . . 75 ALA CA . 16030 1 856 . 1 1 75 75 ALA CB C 13 17.6 0.05 . 1 . . . . 75 ALA CB . 16030 1 857 . 1 1 75 75 ALA N N 15 121.9 0.05 . 1 . . . . 75 ALA N . 16030 1 858 . 1 1 76 76 TRP H H 1 8.64 0.02 . 1 . . . . 76 TRP H . 16030 1 859 . 1 1 76 76 TRP HA H 1 4.64 0.02 . 1 . . . . 76 TRP HA . 16030 1 860 . 1 1 76 76 TRP HB2 H 1 2.91 0.02 . 2 . . . . 76 TRP HB2 . 16030 1 861 . 1 1 76 76 TRP HB3 H 1 3.56 0.02 . 2 . . . . 76 TRP HB3 . 16030 1 862 . 1 1 76 76 TRP HD1 H 1 6.99 0.02 . 1 . . . . 76 TRP HD1 . 16030 1 863 . 1 1 76 76 TRP HE1 H 1 10.10 0.02 . 1 . . . . 76 TRP HE1 . 16030 1 864 . 1 1 76 76 TRP HE3 H 1 6.88 0.02 . 1 . . . . 76 TRP HE3 . 16030 1 865 . 1 1 76 76 TRP HH2 H 1 6.84 0.02 . 1 . . . . 76 TRP HH2 . 16030 1 866 . 1 1 76 76 TRP HZ2 H 1 6.33 0.02 . 1 . . . . 76 TRP HZ2 . 16030 1 867 . 1 1 76 76 TRP HZ3 H 1 6.84 0.02 . 1 . . . . 76 TRP HZ3 . 16030 1 868 . 1 1 76 76 TRP CA C 13 58.2 0.05 . 1 . . . . 76 TRP CA . 16030 1 869 . 1 1 76 76 TRP CB C 13 27.6 0.05 . 1 . . . . 76 TRP CB . 16030 1 870 . 1 1 76 76 TRP CD1 C 13 121.5 0.05 . 1 . . . . 76 TRP CD1 . 16030 1 871 . 1 1 76 76 TRP CE3 C 13 122.2 0.05 . 1 . . . . 76 TRP CE3 . 16030 1 872 . 1 1 76 76 TRP CH2 C 13 124.9 0.05 . 1 . . . . 76 TRP CH2 . 16030 1 873 . 1 1 76 76 TRP CZ2 C 13 114.2 0.05 . 1 . . . . 76 TRP CZ2 . 16030 1 874 . 1 1 76 76 TRP CZ3 C 13 122.2 0.05 . 1 . . . . 76 TRP CZ3 . 16030 1 875 . 1 1 76 76 TRP N N 15 118.4 0.05 . 1 . . . . 76 TRP N . 16030 1 876 . 1 1 76 76 TRP NE1 N 15 126.5 0.05 . 1 . . . . 76 TRP NE1 . 16030 1 877 . 1 1 77 77 GLU H H 1 9.05 0.02 . 1 . . . . 77 GLU H . 16030 1 878 . 1 1 77 77 GLU HA H 1 4.01 0.02 . 1 . . . . 77 GLU HA . 16030 1 879 . 1 1 77 77 GLU HB2 H 1 2.21 0.02 . 2 . . . . 77 GLU HB2 . 16030 1 880 . 1 1 77 77 GLU HB3 H 1 1.93 0.02 . 2 . . . . 77 GLU HB3 . 16030 1 881 . 1 1 77 77 GLU HG2 H 1 2.71 0.02 . 2 . . . . 77 GLU HG2 . 16030 1 882 . 1 1 77 77 GLU HG3 H 1 2.39 0.02 . 2 . . . . 77 GLU HG3 . 16030 1 883 . 1 1 77 77 GLU CA C 13 58.9 0.05 . 1 . . . . 77 GLU CA . 16030 1 884 . 1 1 77 77 GLU CB C 13 28.1 0.05 . 1 . . . . 77 GLU CB . 16030 1 885 . 1 1 77 77 GLU CG C 13 35.7 0.05 . 1 . . . . 77 GLU CG . 16030 1 886 . 1 1 77 77 GLU N N 15 121.0 0.05 . 1 . . . . 77 GLU N . 16030 1 887 . 1 1 78 78 SER H H 1 8.28 0.02 . 1 . . . . 78 SER H . 16030 1 888 . 1 1 78 78 SER HA H 1 3.80 0.02 . 1 . . . . 78 SER HA . 16030 1 889 . 1 1 78 78 SER HB2 H 1 4.35 0.02 . 2 . . . . 78 SER HB2 . 16030 1 890 . 1 1 78 78 SER HB3 H 1 4.35 0.02 . 2 . . . . 78 SER HB3 . 16030 1 891 . 1 1 78 78 SER CA C 13 62.4 0.05 . 1 . . . . 78 SER CA . 16030 1 892 . 1 1 78 78 SER CB C 13 68.0 0.05 . 1 . . . . 78 SER CB . 16030 1 893 . 1 1 78 78 SER N N 15 120.0 0.05 . 1 . . . . 78 SER N . 16030 1 894 . 1 1 79 79 GLY H H 1 8.58 0.02 . 1 . . . . 79 GLY H . 16030 1 895 . 1 1 79 79 GLY HA2 H 1 3.47 0.02 . 2 . . . . 79 GLY HA2 . 16030 1 896 . 1 1 79 79 GLY HA3 H 1 3.58 0.02 . 2 . . . . 79 GLY HA3 . 16030 1 897 . 1 1 79 79 GLY CA C 13 47.0 0.05 . 1 . . . . 79 GLY CA . 16030 1 898 . 1 1 79 79 GLY N N 15 111.0 0.05 . 1 . . . . 79 GLY N . 16030 1 899 . 1 1 80 80 LEU H H 1 8.64 0.02 . 1 . . . . 80 LEU H . 16030 1 900 . 1 1 80 80 LEU HA H 1 3.83 0.02 . 1 . . . . 80 LEU HA . 16030 1 901 . 1 1 80 80 LEU HB2 H 1 1.54 0.02 . 2 . . . . 80 LEU HB2 . 16030 1 902 . 1 1 80 80 LEU HB3 H 1 1.89 0.02 . 2 . . . . 80 LEU HB3 . 16030 1 903 . 1 1 80 80 LEU HD11 H 1 0.84 0.02 . 2 . . . . 80 LEU HD1 . 16030 1 904 . 1 1 80 80 LEU HD12 H 1 0.84 0.02 . 2 . . . . 80 LEU HD1 . 16030 1 905 . 1 1 80 80 LEU HD13 H 1 0.84 0.02 . 2 . . . . 80 LEU HD1 . 16030 1 906 . 1 1 80 80 LEU HD21 H 1 0.94 0.02 . 2 . . . . 80 LEU HD2 . 16030 1 907 . 1 1 80 80 LEU HD22 H 1 0.94 0.02 . 2 . . . . 80 LEU HD2 . 16030 1 908 . 1 1 80 80 LEU HD23 H 1 0.94 0.02 . 2 . . . . 80 LEU HD2 . 16030 1 909 . 1 1 80 80 LEU HG H 1 1.54 0.02 . 1 . . . . 80 LEU HG . 16030 1 910 . 1 1 80 80 LEU CA C 13 58.2 0.05 . 1 . . . . 80 LEU CA . 16030 1 911 . 1 1 80 80 LEU CB C 13 41.8 0.05 . 1 . . . . 80 LEU CB . 16030 1 912 . 1 1 80 80 LEU CD1 C 13 25.9 0.05 . 1 . . . . 80 LEU CD1 . 16030 1 913 . 1 1 80 80 LEU CD2 C 13 26.0 0.05 . 1 . . . . 80 LEU CD2 . 16030 1 914 . 1 1 80 80 LEU CG C 13 26.8 0.05 . 1 . . . . 80 LEU CG . 16030 1 915 . 1 1 80 80 LEU N N 15 125.6 0.05 . 1 . . . . 80 LEU N . 16030 1 916 . 1 1 81 81 ALA H H 1 7.40 0.02 . 1 . . . . 81 ALA H . 16030 1 917 . 1 1 81 81 ALA HA H 1 4.14 0.02 . 1 . . . . 81 ALA HA . 16030 1 918 . 1 1 81 81 ALA HB1 H 1 1.38 0.02 . 1 . . . . 81 ALA HB . 16030 1 919 . 1 1 81 81 ALA HB2 H 1 1.38 0.02 . 1 . . . . 81 ALA HB . 16030 1 920 . 1 1 81 81 ALA HB3 H 1 1.38 0.02 . 1 . . . . 81 ALA HB . 16030 1 921 . 1 1 81 81 ALA CA C 13 54.6 0.05 . 1 . . . . 81 ALA CA . 16030 1 922 . 1 1 81 81 ALA CB C 13 17.5 0.05 . 1 . . . . 81 ALA CB . 16030 1 923 . 1 1 81 81 ALA N N 15 120.4 0.05 . 1 . . . . 81 ALA N . 16030 1 924 . 1 1 82 82 ALA H H 1 7.64 0.02 . 1 . . . . 82 ALA H . 16030 1 925 . 1 1 82 82 ALA HA H 1 4.16 0.02 . 1 . . . . 82 ALA HA . 16030 1 926 . 1 1 82 82 ALA HB1 H 1 1.55 0.02 . 1 . . . . 82 ALA HB . 16030 1 927 . 1 1 82 82 ALA HB2 H 1 1.55 0.02 . 1 . . . . 82 ALA HB . 16030 1 928 . 1 1 82 82 ALA HB3 H 1 1.55 0.02 . 1 . . . . 82 ALA HB . 16030 1 929 . 1 1 82 82 ALA CA C 13 54.7 0.05 . 1 . . . . 82 ALA CA . 16030 1 930 . 1 1 82 82 ALA CB C 13 17.2 0.05 . 1 . . . . 82 ALA CB . 16030 1 931 . 1 1 82 82 ALA N N 15 120.9 0.05 . 1 . . . . 82 ALA N . 16030 1 932 . 1 1 83 83 ALA H H 1 8.91 0.02 . 1 . . . . 83 ALA H . 16030 1 933 . 1 1 83 83 ALA HA H 1 4.26 0.02 . 1 . . . . 83 ALA HA . 16030 1 934 . 1 1 83 83 ALA HB1 H 1 1.54 0.02 . 1 . . . . 83 ALA HB . 16030 1 935 . 1 1 83 83 ALA HB2 H 1 1.54 0.02 . 1 . . . . 83 ALA HB . 16030 1 936 . 1 1 83 83 ALA HB3 H 1 1.54 0.02 . 1 . . . . 83 ALA HB . 16030 1 937 . 1 1 83 83 ALA CA C 13 54.9 0.05 . 1 . . . . 83 ALA CA . 16030 1 938 . 1 1 83 83 ALA CB C 13 18.6 0.05 . 1 . . . . 83 ALA CB . 16030 1 939 . 1 1 83 83 ALA N N 15 122.0 0.05 . 1 . . . . 83 ALA N . 16030 1 940 . 1 1 84 84 GLN H H 1 8.77 0.02 . 1 . . . . 84 GLN H . 16030 1 941 . 1 1 84 84 GLN HA H 1 3.94 0.02 . 1 . . . . 84 GLN HA . 16030 1 942 . 1 1 84 84 GLN HB2 H 1 2.00 0.02 . 2 . . . . 84 GLN HB2 . 16030 1 943 . 1 1 84 84 GLN HB3 H 1 2.23 0.02 . 2 . . . . 84 GLN HB3 . 16030 1 944 . 1 1 84 84 GLN HE21 H 1 7.28 0.02 . 2 . . . . 84 GLN HE21 . 16030 1 945 . 1 1 84 84 GLN HE22 H 1 6.83 0.02 . 2 . . . . 84 GLN HE22 . 16030 1 946 . 1 1 84 84 GLN HG2 H 1 2.35 0.02 . 2 . . . . 84 GLN HG2 . 16030 1 947 . 1 1 84 84 GLN HG3 H 1 2.51 0.02 . 2 . . . . 84 GLN HG3 . 16030 1 948 . 1 1 84 84 GLN CA C 13 58.8 0.05 . 1 . . . . 84 GLN CA . 16030 1 949 . 1 1 84 84 GLN CB C 13 28.2 0.05 . 1 . . . . 84 GLN CB . 16030 1 950 . 1 1 84 84 GLN CG C 13 34.2 0.05 . 1 . . . . 84 GLN CG . 16030 1 951 . 1 1 84 84 GLN N N 15 118.4 0.05 . 1 . . . . 84 GLN N . 16030 1 952 . 1 1 84 84 GLN NE2 N 15 113.9 0.05 . 1 . . . . 84 GLN NE2 . 16030 1 953 . 1 1 85 85 SER H H 1 7.92 0.02 . 1 . . . . 85 SER H . 16030 1 954 . 1 1 85 85 SER HA H 1 4.25 0.02 . 1 . . . . 85 SER HA . 16030 1 955 . 1 1 85 85 SER HB2 H 1 4.04 0.02 . 2 . . . . 85 SER HB2 . 16030 1 956 . 1 1 85 85 SER HB3 H 1 4.04 0.02 . 2 . . . . 85 SER HB3 . 16030 1 957 . 1 1 85 85 SER CA C 13 61.2 0.05 . 1 . . . . 85 SER CA . 16030 1 958 . 1 1 85 85 SER CB C 13 62.7 0.05 . 1 . . . . 85 SER CB . 16030 1 959 . 1 1 85 85 SER N N 15 115.2 0.05 . 1 . . . . 85 SER N . 16030 1 960 . 1 1 86 86 ARG H H 1 7.59 0.02 . 1 . . . . 86 ARG H . 16030 1 961 . 1 1 86 86 ARG HA H 1 4.38 0.02 . 1 . . . . 86 ARG HA . 16030 1 962 . 1 1 86 86 ARG HB2 H 1 1.85 0.02 . 2 . . . . 86 ARG HB2 . 16030 1 963 . 1 1 86 86 ARG HB3 H 1 2.09 0.02 . 2 . . . . 86 ARG HB3 . 16030 1 964 . 1 1 86 86 ARG HD2 H 1 3.34 0.02 . 2 . . . . 86 ARG HD2 . 16030 1 965 . 1 1 86 86 ARG HD3 H 1 3.39 0.02 . 2 . . . . 86 ARG HD3 . 16030 1 966 . 1 1 86 86 ARG HG2 H 1 1.82 0.02 . 2 . . . . 86 ARG HG2 . 16030 1 967 . 1 1 86 86 ARG HG3 H 1 1.88 0.02 . 2 . . . . 86 ARG HG3 . 16030 1 968 . 1 1 86 86 ARG CA C 13 55.8 0.05 . 1 . . . . 86 ARG CA . 16030 1 969 . 1 1 86 86 ARG CB C 13 31.2 0.05 . 1 . . . . 86 ARG CB . 16030 1 970 . 1 1 86 86 ARG CD C 13 43.2 0.05 . 1 . . . . 86 ARG CD . 16030 1 971 . 1 1 86 86 ARG CG C 13 27.6 0.05 . 1 . . . . 86 ARG CG . 16030 1 972 . 1 1 86 86 ARG N N 15 117.8 0.05 . 1 . . . . 86 ARG N . 16030 1 973 . 1 1 87 87 GLY H H 1 7.79 0.02 . 1 . . . . 87 GLY H . 16030 1 974 . 1 1 87 87 GLY HA2 H 1 3.87 0.02 . 2 . . . . 87 GLY HA2 . 16030 1 975 . 1 1 87 87 GLY HA3 H 1 4.08 0.02 . 2 . . . . 87 GLY HA3 . 16030 1 976 . 1 1 87 87 GLY CA C 13 46.1 0.05 . 1 . . . . 87 GLY CA . 16030 1 977 . 1 1 87 87 GLY N N 15 109.1 0.05 . 1 . . . . 87 GLY N . 16030 1 978 . 1 1 88 88 ASP H H 1 8.21 0.02 . 1 . . . . 88 ASP H . 16030 1 979 . 1 1 88 88 ASP HA H 1 4.83 0.02 . 1 . . . . 88 ASP HA . 16030 1 980 . 1 1 88 88 ASP HB2 H 1 2.96 0.02 . 2 . . . . 88 ASP HB2 . 16030 1 981 . 1 1 88 88 ASP HB3 H 1 2.48 0.02 . 2 . . . . 88 ASP HB3 . 16030 1 982 . 1 1 88 88 ASP CA C 13 52.1 0.05 . 1 . . . . 88 ASP CA . 16030 1 983 . 1 1 88 88 ASP CB C 13 39.0 0.05 . 1 . . . . 88 ASP CB . 16030 1 984 . 1 1 88 88 ASP N N 15 120.2 0.05 . 1 . . . . 88 ASP N . 16030 1 985 . 1 1 89 89 GLN H H 1 8.11 0.02 . 1 . . . . 89 GLN H . 16030 1 986 . 1 1 89 89 GLN HA H 1 3.84 0.02 . 1 . . . . 89 GLN HA . 16030 1 987 . 1 1 89 89 GLN HB2 H 1 2.10 0.02 . 2 . . . . 89 GLN HB2 . 16030 1 988 . 1 1 89 89 GLN HB3 H 1 2.01 0.02 . 2 . . . . 89 GLN HB3 . 16030 1 989 . 1 1 89 89 GLN HE21 H 1 7.55 0.02 . 2 . . . . 89 GLN HE21 . 16030 1 990 . 1 1 89 89 GLN HE22 H 1 6.93 0.02 . 2 . . . . 89 GLN HE22 . 16030 1 991 . 1 1 89 89 GLN HG2 H 1 2.37 0.02 . 2 . . . . 89 GLN HG2 . 16030 1 992 . 1 1 89 89 GLN HG3 H 1 2.49 0.02 . 2 . . . . 89 GLN HG3 . 16030 1 993 . 1 1 89 89 GLN CA C 13 58.5 0.05 . 1 . . . . 89 GLN CA . 16030 1 994 . 1 1 89 89 GLN CB C 13 28.0 0.05 . 1 . . . . 89 GLN CB . 16030 1 995 . 1 1 89 89 GLN CG C 13 33.1 0.05 . 1 . . . . 89 GLN CG . 16030 1 996 . 1 1 89 89 GLN N N 15 122.4 0.05 . 1 . . . . 89 GLN N . 16030 1 997 . 1 1 89 89 GLN NE2 N 15 114.7 0.05 . 1 . . . . 89 GLN NE2 . 16030 1 998 . 1 1 90 90 GLN H H 1 8.72 0.02 . 1 . . . . 90 GLN H . 16030 1 999 . 1 1 90 90 GLN HA H 1 4.00 0.02 . 1 . . . . 90 GLN HA . 16030 1 1000 . 1 1 90 90 GLN HB2 H 1 2.04 0.02 . 2 . . . . 90 GLN HB2 . 16030 1 1001 . 1 1 90 90 GLN HB3 H 1 2.14 0.02 . 2 . . . . 90 GLN HB3 . 16030 1 1002 . 1 1 90 90 GLN HE21 H 1 7.72 0.02 . 2 . . . . 90 GLN HE21 . 16030 1 1003 . 1 1 90 90 GLN HE22 H 1 6.95 0.02 . 2 . . . . 90 GLN HE22 . 16030 1 1004 . 1 1 90 90 GLN HG2 H 1 2.36 0.02 . 2 . . . . 90 GLN HG2 . 16030 1 1005 . 1 1 90 90 GLN HG3 H 1 2.36 0.02 . 2 . . . . 90 GLN HG3 . 16030 1 1006 . 1 1 90 90 GLN CA C 13 58.8 0.05 . 1 . . . . 90 GLN CA . 16030 1 1007 . 1 1 90 90 GLN CB C 13 27.8 0.05 . 1 . . . . 90 GLN CB . 16030 1 1008 . 1 1 90 90 GLN CG C 13 33.5 0.05 . 1 . . . . 90 GLN CG . 16030 1 1009 . 1 1 90 90 GLN N N 15 119.1 0.05 . 1 . . . . 90 GLN N . 16030 1 1010 . 1 1 90 90 GLN NE2 N 15 115.7 0.05 . 1 . . . . 90 GLN NE2 . 16030 1 1011 . 1 1 91 91 VAL H H 1 7.17 0.02 . 1 . . . . 91 VAL H . 16030 1 1012 . 1 1 91 91 VAL HA H 1 3.66 0.02 . 1 . . . . 91 VAL HA . 16030 1 1013 . 1 1 91 91 VAL HB H 1 1.86 0.02 . 1 . . . . 91 VAL HB . 16030 1 1014 . 1 1 91 91 VAL HG11 H 1 0.92 0.02 . 2 . . . . 91 VAL HG1 . 16030 1 1015 . 1 1 91 91 VAL HG12 H 1 0.92 0.02 . 2 . . . . 91 VAL HG1 . 16030 1 1016 . 1 1 91 91 VAL HG13 H 1 0.92 0.02 . 2 . . . . 91 VAL HG1 . 16030 1 1017 . 1 1 91 91 VAL HG21 H 1 0.80 0.02 . 2 . . . . 91 VAL HG2 . 16030 1 1018 . 1 1 91 91 VAL HG22 H 1 0.80 0.02 . 2 . . . . 91 VAL HG2 . 16030 1 1019 . 1 1 91 91 VAL HG23 H 1 0.80 0.02 . 2 . . . . 91 VAL HG2 . 16030 1 1020 . 1 1 91 91 VAL CA C 13 65.5 0.05 . 1 . . . . 91 VAL CA . 16030 1 1021 . 1 1 91 91 VAL CB C 13 31.3 0.05 . 1 . . . . 91 VAL CB . 16030 1 1022 . 1 1 91 91 VAL CG1 C 13 23.2 0.05 . 1 . . . . 91 VAL CG1 . 16030 1 1023 . 1 1 91 91 VAL CG2 C 13 22.0 0.05 . 1 . . . . 91 VAL CG2 . 16030 1 1024 . 1 1 91 91 VAL N N 15 119.9 0.05 . 1 . . . . 91 VAL N . 16030 1 1025 . 1 1 92 92 VAL H H 1 7.88 0.02 . 1 . . . . 92 VAL H . 16030 1 1026 . 1 1 92 92 VAL HA H 1 3.24 0.02 . 1 . . . . 92 VAL HA . 16030 1 1027 . 1 1 92 92 VAL HB H 1 2.09 0.02 . 1 . . . . 92 VAL HB . 16030 1 1028 . 1 1 92 92 VAL HG11 H 1 0.88 0.02 . 2 . . . . 92 VAL HG1 . 16030 1 1029 . 1 1 92 92 VAL HG12 H 1 0.88 0.02 . 2 . . . . 92 VAL HG1 . 16030 1 1030 . 1 1 92 92 VAL HG13 H 1 0.88 0.02 . 2 . . . . 92 VAL HG1 . 16030 1 1031 . 1 1 92 92 VAL HG21 H 1 0.77 0.02 . 2 . . . . 92 VAL HG2 . 16030 1 1032 . 1 1 92 92 VAL HG22 H 1 0.77 0.02 . 2 . . . . 92 VAL HG2 . 16030 1 1033 . 1 1 92 92 VAL HG23 H 1 0.77 0.02 . 2 . . . . 92 VAL HG2 . 16030 1 1034 . 1 1 92 92 VAL CA C 13 67.3 0.05 . 1 . . . . 92 VAL CA . 16030 1 1035 . 1 1 92 92 VAL CB C 13 31.5 0.05 . 1 . . . . 92 VAL CB . 16030 1 1036 . 1 1 92 92 VAL CG1 C 13 23.4 0.05 . 1 . . . . 92 VAL CG1 . 16030 1 1037 . 1 1 92 92 VAL CG2 C 13 20.4 0.05 . 1 . . . . 92 VAL CG2 . 16030 1 1038 . 1 1 92 92 VAL N N 15 119.9 0.05 . 1 . . . . 92 VAL N . 16030 1 1039 . 1 1 93 93 LYS H H 1 7.48 0.02 . 1 . . . . 93 LYS H . 16030 1 1040 . 1 1 93 93 LYS HA H 1 3.92 0.02 . 1 . . . . 93 LYS HA . 16030 1 1041 . 1 1 93 93 LYS HB2 H 1 1.79 0.02 . 2 . . . . 93 LYS HB2 . 16030 1 1042 . 1 1 93 93 LYS HB3 H 1 1.79 0.02 . 2 . . . . 93 LYS HB3 . 16030 1 1043 . 1 1 93 93 LYS HD2 H 1 1.61 0.02 . 2 . . . . 93 LYS HD2 . 16030 1 1044 . 1 1 93 93 LYS HD3 H 1 1.61 0.02 . 2 . . . . 93 LYS HD3 . 16030 1 1045 . 1 1 93 93 LYS HE2 H 1 2.88 0.02 . 2 . . . . 93 LYS HE2 . 16030 1 1046 . 1 1 93 93 LYS HE3 H 1 2.88 0.02 . 2 . . . . 93 LYS HE3 . 16030 1 1047 . 1 1 93 93 LYS HG2 H 1 1.53 0.02 . 2 . . . . 93 LYS HG2 . 16030 1 1048 . 1 1 93 93 LYS HG3 H 1 1.34 0.02 . 2 . . . . 93 LYS HG3 . 16030 1 1049 . 1 1 93 93 LYS CA C 13 59.3 0.05 . 1 . . . . 93 LYS CA . 16030 1 1050 . 1 1 93 93 LYS CB C 13 31.9 0.05 . 1 . . . . 93 LYS CB . 16030 1 1051 . 1 1 93 93 LYS CD C 13 29.1 0.05 . 1 . . . . 93 LYS CD . 16030 1 1052 . 1 1 93 93 LYS CE C 13 41.8 0.05 . 1 . . . . 93 LYS CE . 16030 1 1053 . 1 1 93 93 LYS CG C 13 25.0 0.05 . 1 . . . . 93 LYS CG . 16030 1 1054 . 1 1 93 93 LYS N N 15 116.0 0.05 . 1 . . . . 93 LYS N . 16030 1 1055 . 1 1 94 94 GLU H H 1 7.48 0.02 . 1 . . . . 94 GLU H . 16030 1 1056 . 1 1 94 94 GLU HA H 1 3.58 0.02 . 1 . . . . 94 GLU HA . 16030 1 1057 . 1 1 94 94 GLU HB2 H 1 1.94 0.02 . 2 . . . . 94 GLU HB2 . 16030 1 1058 . 1 1 94 94 GLU HB3 H 1 1.54 0.02 . 2 . . . . 94 GLU HB3 . 16030 1 1059 . 1 1 94 94 GLU HG2 H 1 1.86 0.02 . 2 . . . . 94 GLU HG2 . 16030 1 1060 . 1 1 94 94 GLU HG3 H 1 2.32 0.02 . 2 . . . . 94 GLU HG3 . 16030 1 1061 . 1 1 94 94 GLU CA C 13 58.6 0.05 . 1 . . . . 94 GLU CA . 16030 1 1062 . 1 1 94 94 GLU CB C 13 29.5 0.05 . 1 . . . . 94 GLU CB . 16030 1 1063 . 1 1 94 94 GLU CG C 13 35.3 0.05 . 1 . . . . 94 GLU CG . 16030 1 1064 . 1 1 94 94 GLU N N 15 117.5 0.05 . 1 . . . . 94 GLU N . 16030 1 1065 . 1 1 95 95 LEU H H 1 8.37 0.02 . 1 . . . . 95 LEU H . 16030 1 1066 . 1 1 95 95 LEU HA H 1 3.53 0.02 . 1 . . . . 95 LEU HA . 16030 1 1067 . 1 1 95 95 LEU HB2 H 1 1.11 0.02 . 2 . . . . 95 LEU HB2 . 16030 1 1068 . 1 1 95 95 LEU HB3 H 1 1.89 0.02 . 2 . . . . 95 LEU HB3 . 16030 1 1069 . 1 1 95 95 LEU HD11 H 1 0.75 0.02 . 2 . . . . 95 LEU HD1 . 16030 1 1070 . 1 1 95 95 LEU HD12 H 1 0.75 0.02 . 2 . . . . 95 LEU HD1 . 16030 1 1071 . 1 1 95 95 LEU HD13 H 1 0.75 0.02 . 2 . . . . 95 LEU HD1 . 16030 1 1072 . 1 1 95 95 LEU HD21 H 1 0.71 0.02 . 2 . . . . 95 LEU HD2 . 16030 1 1073 . 1 1 95 95 LEU HD22 H 1 0.71 0.02 . 2 . . . . 95 LEU HD2 . 16030 1 1074 . 1 1 95 95 LEU HD23 H 1 0.71 0.02 . 2 . . . . 95 LEU HD2 . 16030 1 1075 . 1 1 95 95 LEU HG H 1 1.80 0.02 . 1 . . . . 95 LEU HG . 16030 1 1076 . 1 1 95 95 LEU CA C 13 57.6 0.05 . 1 . . . . 95 LEU CA . 16030 1 1077 . 1 1 95 95 LEU CB C 13 40.9 0.05 . 1 . . . . 95 LEU CB . 16030 1 1078 . 1 1 95 95 LEU CD1 C 13 25.4 0.05 . 1 . . . . 95 LEU CD1 . 16030 1 1079 . 1 1 95 95 LEU CD2 C 13 23.5 0.05 . 1 . . . . 95 LEU CD2 . 16030 1 1080 . 1 1 95 95 LEU CG C 13 26.7 0.05 . 1 . . . . 95 LEU CG . 16030 1 1081 . 1 1 95 95 LEU N N 15 117.5 0.05 . 1 . . . . 95 LEU N . 16030 1 1082 . 1 1 96 96 GLN H H 1 8.33 0.02 . 1 . . . . 96 GLN H . 16030 1 1083 . 1 1 96 96 GLN HA H 1 3.98 0.02 . 1 . . . . 96 GLN HA . 16030 1 1084 . 1 1 96 96 GLN HB2 H 1 1.77 0.02 . 2 . . . . 96 GLN HB2 . 16030 1 1085 . 1 1 96 96 GLN HB3 H 1 2.02 0.02 . 2 . . . . 96 GLN HB3 . 16030 1 1086 . 1 1 96 96 GLN HE21 H 1 5.90 0.02 . 2 . . . . 96 GLN HE21 . 16030 1 1087 . 1 1 96 96 GLN HE22 H 1 7.29 0.02 . 2 . . . . 96 GLN HE22 . 16030 1 1088 . 1 1 96 96 GLN HG2 H 1 1.77 0.02 . 2 . . . . 96 GLN HG2 . 16030 1 1089 . 1 1 96 96 GLN HG3 H 1 2.21 0.02 . 2 . . . . 96 GLN HG3 . 16030 1 1090 . 1 1 96 96 GLN CA C 13 58.9 0.05 . 1 . . . . 96 GLN CA . 16030 1 1091 . 1 1 96 96 GLN CB C 13 28.1 0.05 . 1 . . . . 96 GLN CB . 16030 1 1092 . 1 1 96 96 GLN CG C 13 27.7 0.05 . 1 . . . . 96 GLN CG . 16030 1 1093 . 1 1 96 96 GLN N N 15 117.6 0.05 . 1 . . . . 96 GLN N . 16030 1 1094 . 1 1 96 96 GLN NE2 N 15 111.6 0.05 . 1 . . . . 96 GLN NE2 . 16030 1 1095 . 1 1 97 97 VAL H H 1 7.45 0.02 . 1 . . . . 97 VAL H . 16030 1 1096 . 1 1 97 97 VAL HA H 1 3.45 0.02 . 1 . . . . 97 VAL HA . 16030 1 1097 . 1 1 97 97 VAL HB H 1 1.92 0.02 . 1 . . . . 97 VAL HB . 16030 1 1098 . 1 1 97 97 VAL HG11 H 1 0.93 0.02 . 2 . . . . 97 VAL HG1 . 16030 1 1099 . 1 1 97 97 VAL HG12 H 1 0.93 0.02 . 2 . . . . 97 VAL HG1 . 16030 1 1100 . 1 1 97 97 VAL HG13 H 1 0.93 0.02 . 2 . . . . 97 VAL HG1 . 16030 1 1101 . 1 1 97 97 VAL HG21 H 1 0.73 0.02 . 2 . . . . 97 VAL HG2 . 16030 1 1102 . 1 1 97 97 VAL HG22 H 1 0.73 0.02 . 2 . . . . 97 VAL HG2 . 16030 1 1103 . 1 1 97 97 VAL HG23 H 1 0.73 0.02 . 2 . . . . 97 VAL HG2 . 16030 1 1104 . 1 1 97 97 VAL CA C 13 66.7 0.05 . 1 . . . . 97 VAL CA . 16030 1 1105 . 1 1 97 97 VAL CB C 13 31.0 0.05 . 1 . . . . 97 VAL CB . 16030 1 1106 . 1 1 97 97 VAL CG1 C 13 22.6 0.05 . 1 . . . . 97 VAL CG1 . 16030 1 1107 . 1 1 97 97 VAL CG2 C 13 20.8 0.05 . 1 . . . . 97 VAL CG2 . 16030 1 1108 . 1 1 97 97 VAL N N 15 120.3 0.05 . 1 . . . . 97 VAL N . 16030 1 1109 . 1 1 98 98 PHE H H 1 7.46 0.02 . 1 . . . . 98 PHE H . 16030 1 1110 . 1 1 98 98 PHE HA H 1 3.98 0.02 . 1 . . . . 98 PHE HA . 16030 1 1111 . 1 1 98 98 PHE HB2 H 1 1.26 0.02 . 2 . . . . 98 PHE HB2 . 16030 1 1112 . 1 1 98 98 PHE HB3 H 1 1.91 0.02 . 2 . . . . 98 PHE HB3 . 16030 1 1113 . 1 1 98 98 PHE HD1 H 1 6.27 0.02 . 3 . . . . 98 PHE HD1 . 16030 1 1114 . 1 1 98 98 PHE HD2 H 1 6.27 0.02 . 3 . . . . 98 PHE HD2 . 16030 1 1115 . 1 1 98 98 PHE HE1 H 1 6.86 0.02 . 3 . . . . 98 PHE HE1 . 16030 1 1116 . 1 1 98 98 PHE HE2 H 1 6.86 0.02 . 3 . . . . 98 PHE HE2 . 16030 1 1117 . 1 1 98 98 PHE HZ H 1 6.96 0.02 . 1 . . . . 98 PHE HZ . 16030 1 1118 . 1 1 98 98 PHE CA C 13 58.7 0.05 . 1 . . . . 98 PHE CA . 16030 1 1119 . 1 1 98 98 PHE CB C 13 35.5 0.05 . 1 . . . . 98 PHE CB . 16030 1 1120 . 1 1 98 98 PHE CD1 C 13 130.0 0.05 . 1 . . . . 98 PHE CD1 . 16030 1 1121 . 1 1 98 98 PHE CE1 C 13 129.8 0.05 . 1 . . . . 98 PHE CE1 . 16030 1 1122 . 1 1 98 98 PHE CZ C 13 128.5 0.05 . 1 . . . . 98 PHE CZ . 16030 1 1123 . 1 1 98 98 PHE N N 15 119.1 0.05 . 1 . . . . 98 PHE N . 16030 1 1124 . 1 1 99 99 LEU H H 1 8.33 0.02 . 1 . . . . 99 LEU H . 16030 1 1125 . 1 1 99 99 LEU HA H 1 4.09 0.02 . 1 . . . . 99 LEU HA . 16030 1 1126 . 1 1 99 99 LEU HB2 H 1 1.92 0.02 . 2 . . . . 99 LEU HB2 . 16030 1 1127 . 1 1 99 99 LEU HB3 H 1 1.55 0.02 . 2 . . . . 99 LEU HB3 . 16030 1 1128 . 1 1 99 99 LEU HD11 H 1 0.79 0.02 . 2 . . . . 99 LEU HD1 . 16030 1 1129 . 1 1 99 99 LEU HD12 H 1 0.79 0.02 . 2 . . . . 99 LEU HD1 . 16030 1 1130 . 1 1 99 99 LEU HD13 H 1 0.79 0.02 . 2 . . . . 99 LEU HD1 . 16030 1 1131 . 1 1 99 99 LEU HD21 H 1 1.34 0.02 . 2 . . . . 99 LEU HD2 . 16030 1 1132 . 1 1 99 99 LEU HD22 H 1 1.34 0.02 . 2 . . . . 99 LEU HD2 . 16030 1 1133 . 1 1 99 99 LEU HD23 H 1 1.34 0.02 . 2 . . . . 99 LEU HD2 . 16030 1 1134 . 1 1 99 99 LEU HG H 1 1.75 0.02 . 1 . . . . 99 LEU HG . 16030 1 1135 . 1 1 99 99 LEU CA C 13 57.8 0.05 . 1 . . . . 99 LEU CA . 16030 1 1136 . 1 1 99 99 LEU CB C 13 41.8 0.05 . 1 . . . . 99 LEU CB . 16030 1 1137 . 1 1 99 99 LEU CD1 C 13 25.5 0.05 . 1 . . . . 99 LEU CD1 . 16030 1 1138 . 1 1 99 99 LEU CD2 C 13 24.9 0.05 . 1 . . . . 99 LEU CD2 . 16030 1 1139 . 1 1 99 99 LEU CG C 13 27.1 0.05 . 1 . . . . 99 LEU CG . 16030 1 1140 . 1 1 99 99 LEU N N 15 119.3 0.05 . 1 . . . . 99 LEU N . 16030 1 1141 . 1 1 100 100 ARG H H 1 8.35 0.02 . 1 . . . . 100 ARG H . 16030 1 1142 . 1 1 100 100 ARG HA H 1 4.11 0.02 . 1 . . . . 100 ARG HA . 16030 1 1143 . 1 1 100 100 ARG HB2 H 1 1.87 0.02 . 2 . . . . 100 ARG HB2 . 16030 1 1144 . 1 1 100 100 ARG HB3 H 1 1.93 0.02 . 2 . . . . 100 ARG HB3 . 16030 1 1145 . 1 1 100 100 ARG HD2 H 1 3.18 0.02 . 2 . . . . 100 ARG HD2 . 16030 1 1146 . 1 1 100 100 ARG HD3 H 1 3.16 0.02 . 2 . . . . 100 ARG HD3 . 16030 1 1147 . 1 1 100 100 ARG HG2 H 1 1.60 0.02 . 2 . . . . 100 ARG HG2 . 16030 1 1148 . 1 1 100 100 ARG HG3 H 1 1.77 0.02 . 2 . . . . 100 ARG HG3 . 16030 1 1149 . 1 1 100 100 ARG CA C 13 59.3 0.05 . 1 . . . . 100 ARG CA . 16030 1 1150 . 1 1 100 100 ARG CB C 13 29.9 0.05 . 1 . . . . 100 ARG CB . 16030 1 1151 . 1 1 100 100 ARG CD C 13 43.5 0.05 . 1 . . . . 100 ARG CD . 16030 1 1152 . 1 1 100 100 ARG CG C 13 27.7 0.05 . 1 . . . . 100 ARG CG . 16030 1 1153 . 1 1 100 100 ARG N N 15 121.9 0.05 . 1 . . . . 100 ARG N . 16030 1 1154 . 1 1 101 101 ARG H H 1 8.11 0.02 . 1 . . . . 101 ARG H . 16030 1 1155 . 1 1 101 101 ARG HA H 1 4.02 0.02 . 1 . . . . 101 ARG HA . 16030 1 1156 . 1 1 101 101 ARG HB2 H 1 1.80 0.02 . 2 . . . . 101 ARG HB2 . 16030 1 1157 . 1 1 101 101 ARG HB3 H 1 1.80 0.02 . 2 . . . . 101 ARG HB3 . 16030 1 1158 . 1 1 101 101 ARG HD2 H 1 3.13 0.02 . 2 . . . . 101 ARG HD2 . 16030 1 1159 . 1 1 101 101 ARG HD3 H 1 3.13 0.02 . 2 . . . . 101 ARG HD3 . 16030 1 1160 . 1 1 101 101 ARG HG2 H 1 1.58 0.02 . 2 . . . . 101 ARG HG2 . 16030 1 1161 . 1 1 101 101 ARG HG3 H 1 1.58 0.02 . 2 . . . . 101 ARG HG3 . 16030 1 1162 . 1 1 101 101 ARG CA C 13 57.6 0.05 . 1 . . . . 101 ARG CA . 16030 1 1163 . 1 1 101 101 ARG CB C 13 30.2 0.05 . 1 . . . . 101 ARG CB . 16030 1 1164 . 1 1 101 101 ARG CD C 13 43.1 0.05 . 1 . . . . 101 ARG CD . 16030 1 1165 . 1 1 101 101 ARG CG C 13 27.3 0.05 . 1 . . . . 101 ARG CG . 16030 1 1166 . 1 1 101 101 ARG N N 15 120.5 0.05 . 1 . . . . 101 ARG N . 16030 1 1167 . 1 1 102 102 LEU H H 1 7.89 0.02 . 1 . . . . 102 LEU H . 16030 1 1168 . 1 1 102 102 LEU HA H 1 4.15 0.02 . 1 . . . . 102 LEU HA . 16030 1 1169 . 1 1 102 102 LEU HB2 H 1 1.88 0.02 . 2 . . . . 102 LEU HB2 . 16030 1 1170 . 1 1 102 102 LEU HB3 H 1 2.01 0.02 . 2 . . . . 102 LEU HB3 . 16030 1 1171 . 1 1 102 102 LEU HD11 H 1 1.09 0.02 . 2 . . . . 102 LEU HD1 . 16030 1 1172 . 1 1 102 102 LEU HD12 H 1 1.09 0.02 . 2 . . . . 102 LEU HD1 . 16030 1 1173 . 1 1 102 102 LEU HD13 H 1 1.09 0.02 . 2 . . . . 102 LEU HD1 . 16030 1 1174 . 1 1 102 102 LEU HD21 H 1 1.06 0.02 . 2 . . . . 102 LEU HD2 . 16030 1 1175 . 1 1 102 102 LEU HD22 H 1 1.06 0.02 . 2 . . . . 102 LEU HD2 . 16030 1 1176 . 1 1 102 102 LEU HD23 H 1 1.06 0.02 . 2 . . . . 102 LEU HD2 . 16030 1 1177 . 1 1 102 102 LEU HG H 1 1.98 0.02 . 1 . . . . 102 LEU HG . 16030 1 1178 . 1 1 102 102 LEU CA C 13 57.6 0.05 . 1 . . . . 102 LEU CA . 16030 1 1179 . 1 1 102 102 LEU CB C 13 42.3 0.05 . 1 . . . . 102 LEU CB . 16030 1 1180 . 1 1 102 102 LEU CD1 C 13 25.0 0.05 . 1 . . . . 102 LEU CD1 . 16030 1 1181 . 1 1 102 102 LEU CD2 C 13 24.5 0.05 . 1 . . . . 102 LEU CD2 . 16030 1 1182 . 1 1 102 102 LEU CG C 13 26.6 0.05 . 1 . . . . 102 LEU CG . 16030 1 1183 . 1 1 102 102 LEU N N 15 119.9 0.05 . 1 . . . . 102 LEU N . 16030 1 1184 . 1 1 103 103 ALA H H 1 7.88 0.02 . 1 . . . . 103 ALA H . 16030 1 1185 . 1 1 103 103 ALA HA H 1 4.17 0.02 . 1 . . . . 103 ALA HA . 16030 1 1186 . 1 1 103 103 ALA HB1 H 1 1.52 0.02 . 1 . . . . 103 ALA HB . 16030 1 1187 . 1 1 103 103 ALA HB2 H 1 1.52 0.02 . 1 . . . . 103 ALA HB . 16030 1 1188 . 1 1 103 103 ALA HB3 H 1 1.52 0.02 . 1 . . . . 103 ALA HB . 16030 1 1189 . 1 1 103 103 ALA CA C 13 54.7 0.05 . 1 . . . . 103 ALA CA . 16030 1 1190 . 1 1 103 103 ALA CB C 13 17.8 0.05 . 1 . . . . 103 ALA CB . 16030 1 1191 . 1 1 103 103 ALA N N 15 120.0 0.05 . 1 . . . . 103 ALA N . 16030 1 1192 . 1 1 104 104 ARG H H 1 8.06 0.02 . 1 . . . . 104 ARG H . 16030 1 1193 . 1 1 104 104 ARG HA H 1 4.13 0.02 . 1 . . . . 104 ARG HA . 16030 1 1194 . 1 1 104 104 ARG HB2 H 1 1.96 0.02 . 2 . . . . 104 ARG HB2 . 16030 1 1195 . 1 1 104 104 ARG HB3 H 1 1.96 0.02 . 2 . . . . 104 ARG HB3 . 16030 1 1196 . 1 1 104 104 ARG HD2 H 1 3.20 0.02 . 2 . . . . 104 ARG HD2 . 16030 1 1197 . 1 1 104 104 ARG HD3 H 1 3.20 0.02 . 2 . . . . 104 ARG HD3 . 16030 1 1198 . 1 1 104 104 ARG HG2 H 1 1.61 0.02 . 2 . . . . 104 ARG HG2 . 16030 1 1199 . 1 1 104 104 ARG HG3 H 1 1.78 0.02 . 2 . . . . 104 ARG HG3 . 16030 1 1200 . 1 1 104 104 ARG CA C 13 58.5 0.05 . 1 . . . . 104 ARG CA . 16030 1 1201 . 1 1 104 104 ARG CB C 13 29.8 0.05 . 1 . . . . 104 ARG CB . 16030 1 1202 . 1 1 104 104 ARG CD C 13 43.3 0.05 . 1 . . . . 104 ARG CD . 16030 1 1203 . 1 1 104 104 ARG CG C 13 27.3 0.05 . 1 . . . . 104 ARG CG . 16030 1 1204 . 1 1 104 104 ARG N N 15 119.8 0.05 . 1 . . . . 104 ARG N . 16030 1 1205 . 1 1 105 105 GLU H H 1 8.05 0.02 . 1 . . . . 105 GLU H . 16030 1 1206 . 1 1 105 105 GLU HA H 1 4.02 0.02 . 1 . . . . 105 GLU HA . 16030 1 1207 . 1 1 105 105 GLU HB2 H 1 2.06 0.02 . 2 . . . . 105 GLU HB2 . 16030 1 1208 . 1 1 105 105 GLU HB3 H 1 2.17 0.02 . 2 . . . . 105 GLU HB3 . 16030 1 1209 . 1 1 105 105 GLU HG2 H 1 2.35 0.02 . 2 . . . . 105 GLU HG2 . 16030 1 1210 . 1 1 105 105 GLU HG3 H 1 2.54 0.02 . 2 . . . . 105 GLU HG3 . 16030 1 1211 . 1 1 105 105 GLU CA C 13 58.5 0.05 . 1 . . . . 105 GLU CA . 16030 1 1212 . 1 1 105 105 GLU CB C 13 28.9 0.05 . 1 . . . . 105 GLU CB . 16030 1 1213 . 1 1 105 105 GLU CG C 13 35.2 0.05 . 1 . . . . 105 GLU CG . 16030 1 1214 . 1 1 105 105 GLU N N 15 119.7 0.05 . 1 . . . . 105 GLU N . 16030 1 1215 . 1 1 106 106 ASP H H 1 8.36 0.02 . 1 . . . . 106 ASP H . 16030 1 1216 . 1 1 106 106 ASP HA H 1 4.38 0.02 . 1 . . . . 106 ASP HA . 16030 1 1217 . 1 1 106 106 ASP HB2 H 1 2.69 0.02 . 2 . . . . 106 ASP HB2 . 16030 1 1218 . 1 1 106 106 ASP HB3 H 1 2.78 0.02 . 2 . . . . 106 ASP HB3 . 16030 1 1219 . 1 1 106 106 ASP CA C 13 56.5 0.05 . 1 . . . . 106 ASP CA . 16030 1 1220 . 1 1 106 106 ASP CB C 13 40.5 0.05 . 1 . . . . 106 ASP CB . 16030 1 1221 . 1 1 106 106 ASP N N 15 119.8 0.05 . 1 . . . . 106 ASP N . 16030 1 1222 . 1 1 107 107 ALA H H 1 7.91 0.02 . 1 . . . . 107 ALA H . 16030 1 1223 . 1 1 107 107 ALA HA H 1 4.15 0.02 . 1 . . . . 107 ALA HA . 16030 1 1224 . 1 1 107 107 ALA HB1 H 1 1.48 0.02 . 1 . . . . 107 ALA HB . 16030 1 1225 . 1 1 107 107 ALA HB2 H 1 1.48 0.02 . 1 . . . . 107 ALA HB . 16030 1 1226 . 1 1 107 107 ALA HB3 H 1 1.48 0.02 . 1 . . . . 107 ALA HB . 16030 1 1227 . 1 1 107 107 ALA CA C 13 54.2 0.05 . 1 . . . . 107 ALA CA . 16030 1 1228 . 1 1 107 107 ALA CB C 13 18.1 0.05 . 1 . . . . 107 ALA CB . 16030 1 1229 . 1 1 107 107 ALA N N 15 121.9 0.05 . 1 . . . . 107 ALA N . 16030 1 1230 . 1 1 108 108 LEU H H 1 7.84 0.02 . 1 . . . . 108 LEU H . 16030 1 1231 . 1 1 108 108 LEU HA H 1 4.12 0.02 . 1 . . . . 108 LEU HA . 16030 1 1232 . 1 1 108 108 LEU HB2 H 1 1.78 0.02 . 2 . . . . 108 LEU HB2 . 16030 1 1233 . 1 1 108 108 LEU HB3 H 1 1.56 0.02 . 2 . . . . 108 LEU HB3 . 16030 1 1234 . 1 1 108 108 LEU HD11 H 1 0.88 0.02 . 2 . . . . 108 LEU HD1 . 16030 1 1235 . 1 1 108 108 LEU HD12 H 1 0.88 0.02 . 2 . . . . 108 LEU HD1 . 16030 1 1236 . 1 1 108 108 LEU HD13 H 1 0.88 0.02 . 2 . . . . 108 LEU HD1 . 16030 1 1237 . 1 1 108 108 LEU HD21 H 1 0.85 0.02 . 2 . . . . 108 LEU HD2 . 16030 1 1238 . 1 1 108 108 LEU HD22 H 1 0.85 0.02 . 2 . . . . 108 LEU HD2 . 16030 1 1239 . 1 1 108 108 LEU HD23 H 1 0.85 0.02 . 2 . . . . 108 LEU HD2 . 16030 1 1240 . 1 1 108 108 LEU HG H 1 1.72 0.02 . 1 . . . . 108 LEU HG . 16030 1 1241 . 1 1 108 108 LEU CA C 13 56.4 0.05 . 1 . . . . 108 LEU CA . 16030 1 1242 . 1 1 108 108 LEU CB C 13 42.0 0.05 . 1 . . . . 108 LEU CB . 16030 1 1243 . 1 1 108 108 LEU CD1 C 13 24.9 0.05 . 1 . . . . 108 LEU CD1 . 16030 1 1244 . 1 1 108 108 LEU CD2 C 13 23.2 0.05 . 1 . . . . 108 LEU CD2 . 16030 1 1245 . 1 1 108 108 LEU CG C 13 26.7 0.05 . 1 . . . . 108 LEU CG . 16030 1 1246 . 1 1 108 108 LEU N N 15 119.0 0.05 . 1 . . . . 108 LEU N . 16030 1 1247 . 1 1 109 109 GLU H H 1 7.86 0.02 . 1 . . . . 109 GLU H . 16030 1 1248 . 1 1 109 109 GLU HA H 1 4.09 0.02 . 1 . . . . 109 GLU HA . 16030 1 1249 . 1 1 109 109 GLU HB2 H 1 1.95 0.02 . 2 . . . . 109 GLU HB2 . 16030 1 1250 . 1 1 109 109 GLU HB3 H 1 1.95 0.02 . 2 . . . . 109 GLU HB3 . 16030 1 1251 . 1 1 109 109 GLU HG2 H 1 2.26 0.02 . 2 . . . . 109 GLU HG2 . 16030 1 1252 . 1 1 109 109 GLU HG3 H 1 2.34 0.02 . 2 . . . . 109 GLU HG3 . 16030 1 1253 . 1 1 109 109 GLU CA C 13 57.0 0.05 . 1 . . . . 109 GLU CA . 16030 1 1254 . 1 1 109 109 GLU CB C 13 29.1 0.05 . 1 . . . . 109 GLU CB . 16030 1 1255 . 1 1 109 109 GLU CG C 13 34.9 0.05 . 1 . . . . 109 GLU CG . 16030 1 1256 . 1 1 109 109 GLU N N 15 118.6 0.05 . 1 . . . . 109 GLU N . 16030 1 1257 . 1 1 110 110 HIS H H 1 8.14 0.02 . 1 . . . . 110 HIS H . 16030 1 1258 . 1 1 110 110 HIS HA H 1 4.56 0.02 . 1 . . . . 110 HIS HA . 16030 1 1259 . 1 1 110 110 HIS HB2 H 1 3.23 0.02 . 2 . . . . 110 HIS HB2 . 16030 1 1260 . 1 1 110 110 HIS HB3 H 1 3.11 0.02 . 2 . . . . 110 HIS HB3 . 16030 1 1261 . 1 1 110 110 HIS CA C 13 55.6 0.05 . 1 . . . . 110 HIS CA . 16030 1 1262 . 1 1 110 110 HIS CB C 13 28.3 0.05 . 1 . . . . 110 HIS CB . 16030 1 1263 . 1 1 110 110 HIS N N 15 117.0 0.05 . 1 . . . . 110 HIS N . 16030 1 1264 . 1 1 111 111 HIS H H 1 8.34 0.02 . 1 . . . . 111 HIS H . 16030 1 1265 . 1 1 111 111 HIS HA H 1 4.60 0.02 . 1 . . . . 111 HIS HA . 16030 1 1266 . 1 1 111 111 HIS HB2 H 1 3.13 0.02 . 2 . . . . 111 HIS HB2 . 16030 1 1267 . 1 1 111 111 HIS HB3 H 1 3.25 0.02 . 2 . . . . 111 HIS HB3 . 16030 1 1268 . 1 1 111 111 HIS CA C 13 55.5 0.05 . 1 . . . . 111 HIS CA . 16030 1 1269 . 1 1 111 111 HIS CB C 13 28.5 0.05 . 1 . . . . 111 HIS CB . 16030 1 1270 . 1 1 111 111 HIS N N 15 117.8 0.05 . 1 . . . . 111 HIS N . 16030 1 1271 . 1 1 112 112 HIS H H 1 8.53 0.02 . 1 . . . . 112 HIS H . 16030 1 1272 . 1 1 112 112 HIS HA H 1 4.62 0.02 . 1 . . . . 112 HIS HA . 16030 1 1273 . 1 1 112 112 HIS HB2 H 1 3.22 0.02 . 2 . . . . 112 HIS HB2 . 16030 1 1274 . 1 1 112 112 HIS HB3 H 1 3.13 0.02 . 2 . . . . 112 HIS HB3 . 16030 1 1275 . 1 1 112 112 HIS CA C 13 55.3 0.05 . 1 . . . . 112 HIS CA . 16030 1 1276 . 1 1 112 112 HIS CB C 13 28.8 0.05 . 1 . . . . 112 HIS CB . 16030 1 1277 . 1 1 112 112 HIS N N 15 119.0 0.05 . 1 . . . . 112 HIS N . 16030 1 1278 . 1 1 113 113 HIS H H 1 8.66 0.02 . 1 . . . . 113 HIS H . 16030 1 1279 . 1 1 113 113 HIS HA H 1 4.64 0.02 . 1 . . . . 113 HIS HA . 16030 1 1280 . 1 1 113 113 HIS HB2 H 1 3.14 0.02 . 2 . . . . 113 HIS HB2 . 16030 1 1281 . 1 1 113 113 HIS HB3 H 1 3.14 0.02 . 2 . . . . 113 HIS HB3 . 16030 1 1282 . 1 1 113 113 HIS CA C 13 55.2 0.05 . 1 . . . . 113 HIS CA . 16030 1 1283 . 1 1 113 113 HIS CB C 13 28.9 0.05 . 1 . . . . 113 HIS CB . 16030 1 1284 . 1 1 113 113 HIS N N 15 120.0 0.05 . 1 . . . . 113 HIS N . 16030 1 1285 . 1 1 114 114 HIS H H 1 8.63 0.02 . 1 . . . . 114 HIS H . 16030 1 1286 . 1 1 114 114 HIS HA H 1 4.61 0.02 . 1 . . . . 114 HIS HA . 16030 1 1287 . 1 1 114 114 HIS HB2 H 1 3.19 0.02 . 2 . . . . 114 HIS HB2 . 16030 1 1288 . 1 1 114 114 HIS HB3 H 1 3.21 0.02 . 2 . . . . 114 HIS HB3 . 16030 1 1289 . 1 1 114 114 HIS CA C 13 55.2 0.05 . 1 . . . . 114 HIS CA . 16030 1 1290 . 1 1 114 114 HIS CB C 13 28.9 0.05 . 1 . . . . 114 HIS CB . 16030 1 1291 . 1 1 114 114 HIS N N 15 120.8 0.05 . 1 . . . . 114 HIS N . 16030 1 1292 . 1 1 115 115 HIS H H 1 8.51 0.02 . 1 . . . . 115 HIS H . 16030 1 1293 . 1 1 115 115 HIS HA H 1 4.62 0.02 . 1 . . . . 115 HIS HA . 16030 1 1294 . 1 1 115 115 HIS HB2 H 1 3.12 0.02 . 2 . . . . 115 HIS HB2 . 16030 1 1295 . 1 1 115 115 HIS HB3 H 1 3.12 0.02 . 2 . . . . 115 HIS HB3 . 16030 1 1296 . 1 1 115 115 HIS CA C 13 56.9 0.05 . 1 . . . . 115 HIS CA . 16030 1 1297 . 1 1 115 115 HIS CB C 13 35.0 0.05 . 1 . . . . 115 HIS CB . 16030 1 1298 . 1 1 115 115 HIS N N 15 125.7 0.05 . 1 . . . . 115 HIS N . 16030 1 stop_ save_