data_18707 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18707 _Entry.Title ; Solution structure of TamA POTRA domain I ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-09-11 _Entry.Accession_date 2012-09-11 _Entry.Last_release_date 2014-03-10 _Entry.Original_release_date 2014-03-10 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details . _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 Stephen Headey . . . 18707 2 Matthew Belousoff . . . 18707 3 Trevor Lithgow . . . 18707 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 1 'not applicable' 'not applicable' . 18707 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'autotransporter secretion' . 18707 POTRA . 18707 TAM . 18707 TamA . 18707 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18707 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 284 18707 '15N chemical shifts' 77 18707 '1H chemical shifts' 591 18707 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2014-03-10 2012-09-11 original author . 18707 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18707 _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 'The C-terminal beta-signal-like motif of TamB facilitates efficient autotransporter secretion.' _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 Joel Selkrig . . . 18707 1 2 Stephen Headey . . . 18707 1 3 Matthew Belousoff . . . 18707 1 4 Nermin Celik . . . 18707 1 5 Minh-Duy Phan . . . 18707 1 6 Mark Schembri . . . 18707 1 7 Martin Scanlon . . . 18707 1 8 Trevor Lithgow . . . 18707 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18707 _Assembly.ID 1 _Assembly.Name 'TamA POTRA domain I' _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 'TamA POTRA domain I' 1 $TamAd1 A . yes native no no . . . 18707 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_TamAd1 _Entity.Sf_category entity _Entity.Sf_framecode TamAd1 _Entity.Entry_ID 18707 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID 1 _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; ANVRLQVEGLSGQLEKNVRA QLSTIESDEVTPDRRFRARV DDAIREGLKALGYYQPTIEF DLRPPPKKGRQVLIAKVTPG VLEHHHHHH ; _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 89 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10157.640 _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 2LY3 . "Solution Structure Of Tama Potra Domain I" . . . . . 100.00 89 100.00 100.00 1.34e-56 . . . . 18707 1 2 no PDB 4BZA . "Crystal Structure Of Tama Potra Domains 1-3 From E. Coli" . . . . . 91.01 261 100.00 100.00 9.23e-48 . . . . 18707 1 3 no PDB 4C00 . "Crystal Structure Of Tama From E. Coli" . . . . . 91.01 559 100.00 100.00 3.69e-46 . . . . 18707 1 4 no DBJ BAB38621 . "hypothetical protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 5 no DBJ BAE78221 . "predicted outer membrane protein and surface antigen [Escherichia coli str. K12 substr. W3110]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 6 no DBJ BAG80050 . "conserved hypothetical protein [Escherichia coli SE11]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 7 no DBJ BAI28525 . "predicted outer membrane protein and surface antigen [Escherichia coli O26:H11 str. 11368]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 8 no DBJ BAI33699 . "predicted outer membrane protein and surface antigen [Escherichia coli O103:H2 str. 12009]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 9 no EMBL CAP78741 . "Uncharacterized protein ytfM [Escherichia coli LF82]" . . . . . 91.01 577 100.00 100.00 2.37e-47 . . . . 18707 1 10 no EMBL CAQ34571 . "outer membrane protein [Escherichia coli BL21(DE3)]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 11 no EMBL CAR01195 . "conserved hypothetical protein; putative outer membrane protein and surface antigen [Escherichia coli IAI1]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 12 no EMBL CAR05962 . "conserved hypothetical protein; putative outer membrane protein and surface antigen [Escherichia coli S88]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 13 no EMBL CAR11033 . "conserved hypothetical protein; putative outer membrane protein and surface antigen [Escherichia coli ED1a]" . . . . . 91.01 577 100.00 100.00 2.42e-47 . . . . 18707 1 14 no GB AAA97116 . "ORF_o577 [Escherichia coli str. K-12 substr. MG1655]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 15 no GB AAC77177 . "translocation and assembly module for autotransporter export, outer membrane subunit [Escherichia coli str. K-12 substr. MG1655" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 16 no GB AAG59418 . "orf, hypothetical protein [Escherichia coli O157:H7 str. EDL933]" . . . . . 91.01 577 98.77 98.77 1.85e-46 . . . . 18707 1 17 no GB AAN45685 . "conserved hypothetical protein [Shigella flexneri 2a str. 301]" . . . . . 91.01 577 100.00 100.00 3.62e-47 . . . . 18707 1 18 no GB AAN83739 . "Hypothetical protein ytfM precursor [Escherichia coli CFT073]" . . . . . 91.01 577 100.00 100.00 2.37e-47 . . . . 18707 1 19 no PIR F86119 . "hypothetical protein ytfM [imported] - Escherichia coli (strain O157:H7, substrain EDL933)" . . . . . 91.01 577 98.77 98.77 1.85e-46 . . . . 18707 1 20 no REF NP_313225 . "hypothetical protein ECs5198 [Escherichia coli O157:H7 str. Sakai]" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 21 no REF NP_418641 . "translocation and assembly module for autotransporter export, outer membrane subunit [Escherichia coli str. K-12 substr. MG1655" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 22 no REF NP_709978 . "hypothetical protein SF4267 [Shigella flexneri 2a str. 301]" . . . . . 91.01 577 100.00 100.00 3.62e-47 . . . . 18707 1 23 no REF WP_000338225 . "membrane protein [Shigella boydii]" . . . . . 91.01 577 100.00 100.00 1.54e-47 . . . . 18707 1 24 no REF WP_001269283 . "membrane protein [Escherichia coli]" . . . . . 91.01 577 100.00 100.00 2.37e-47 . . . . 18707 1 25 no SP P0ADE4 . "RecName: Full=Translocation and assembly module TamA; AltName: Full=Autotransporter assembly factor TamA; Flags: Precursor" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 1 26 no SP P0ADE5 . "RecName: Full=Translocation and assembly module TamA; AltName: Full=Autotransporter assembly factor TamA; Flags: Precursor" . . . . . 91.01 577 100.00 100.00 2.65e-47 . . . . 18707 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 22 ALA . 18707 1 2 23 ASN . 18707 1 3 24 VAL . 18707 1 4 25 ARG . 18707 1 5 26 LEU . 18707 1 6 27 GLN . 18707 1 7 28 VAL . 18707 1 8 29 GLU . 18707 1 9 30 GLY . 18707 1 10 31 LEU . 18707 1 11 32 SER . 18707 1 12 33 GLY . 18707 1 13 34 GLN . 18707 1 14 35 LEU . 18707 1 15 36 GLU . 18707 1 16 37 LYS . 18707 1 17 38 ASN . 18707 1 18 39 VAL . 18707 1 19 40 ARG . 18707 1 20 41 ALA . 18707 1 21 42 GLN . 18707 1 22 43 LEU . 18707 1 23 44 SER . 18707 1 24 45 THR . 18707 1 25 46 ILE . 18707 1 26 47 GLU . 18707 1 27 48 SER . 18707 1 28 49 ASP . 18707 1 29 50 GLU . 18707 1 30 51 VAL . 18707 1 31 52 THR . 18707 1 32 53 PRO . 18707 1 33 54 ASP . 18707 1 34 55 ARG . 18707 1 35 56 ARG . 18707 1 36 57 PHE . 18707 1 37 58 ARG . 18707 1 38 59 ALA . 18707 1 39 60 ARG . 18707 1 40 61 VAL . 18707 1 41 62 ASP . 18707 1 42 63 ASP . 18707 1 43 64 ALA . 18707 1 44 65 ILE . 18707 1 45 66 ARG . 18707 1 46 67 GLU . 18707 1 47 68 GLY . 18707 1 48 69 LEU . 18707 1 49 70 LYS . 18707 1 50 71 ALA . 18707 1 51 72 LEU . 18707 1 52 73 GLY . 18707 1 53 74 TYR . 18707 1 54 75 TYR . 18707 1 55 76 GLN . 18707 1 56 77 PRO . 18707 1 57 78 THR . 18707 1 58 79 ILE . 18707 1 59 80 GLU . 18707 1 60 81 PHE . 18707 1 61 82 ASP . 18707 1 62 83 LEU . 18707 1 63 84 ARG . 18707 1 64 85 PRO . 18707 1 65 86 PRO . 18707 1 66 87 PRO . 18707 1 67 88 LYS . 18707 1 68 89 LYS . 18707 1 69 90 GLY . 18707 1 70 91 ARG . 18707 1 71 92 GLN . 18707 1 72 93 VAL . 18707 1 73 94 LEU . 18707 1 74 95 ILE . 18707 1 75 96 ALA . 18707 1 76 97 LYS . 18707 1 77 98 VAL . 18707 1 78 99 THR . 18707 1 79 100 PRO . 18707 1 80 101 GLY . 18707 1 81 102 VAL . 18707 1 82 103 LEU . 18707 1 83 104 GLU . 18707 1 84 105 HIS . 18707 1 85 106 HIS . 18707 1 86 107 HIS . 18707 1 87 108 HIS . 18707 1 88 109 HIS . 18707 1 89 110 HIS . 18707 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 . ALA 1 1 18707 1 . ASN 2 2 18707 1 . VAL 3 3 18707 1 . ARG 4 4 18707 1 . LEU 5 5 18707 1 . GLN 6 6 18707 1 . VAL 7 7 18707 1 . GLU 8 8 18707 1 . GLY 9 9 18707 1 . LEU 10 10 18707 1 . SER 11 11 18707 1 . GLY 12 12 18707 1 . GLN 13 13 18707 1 . LEU 14 14 18707 1 . GLU 15 15 18707 1 . LYS 16 16 18707 1 . ASN 17 17 18707 1 . VAL 18 18 18707 1 . ARG 19 19 18707 1 . ALA 20 20 18707 1 . GLN 21 21 18707 1 . LEU 22 22 18707 1 . SER 23 23 18707 1 . THR 24 24 18707 1 . ILE 25 25 18707 1 . GLU 26 26 18707 1 . SER 27 27 18707 1 . ASP 28 28 18707 1 . GLU 29 29 18707 1 . VAL 30 30 18707 1 . THR 31 31 18707 1 . PRO 32 32 18707 1 . ASP 33 33 18707 1 . ARG 34 34 18707 1 . ARG 35 35 18707 1 . PHE 36 36 18707 1 . ARG 37 37 18707 1 . ALA 38 38 18707 1 . ARG 39 39 18707 1 . VAL 40 40 18707 1 . ASP 41 41 18707 1 . ASP 42 42 18707 1 . ALA 43 43 18707 1 . ILE 44 44 18707 1 . ARG 45 45 18707 1 . GLU 46 46 18707 1 . GLY 47 47 18707 1 . LEU 48 48 18707 1 . LYS 49 49 18707 1 . ALA 50 50 18707 1 . LEU 51 51 18707 1 . GLY 52 52 18707 1 . TYR 53 53 18707 1 . TYR 54 54 18707 1 . GLN 55 55 18707 1 . PRO 56 56 18707 1 . THR 57 57 18707 1 . ILE 58 58 18707 1 . GLU 59 59 18707 1 . PHE 60 60 18707 1 . ASP 61 61 18707 1 . LEU 62 62 18707 1 . ARG 63 63 18707 1 . PRO 64 64 18707 1 . PRO 65 65 18707 1 . PRO 66 66 18707 1 . LYS 67 67 18707 1 . LYS 68 68 18707 1 . GLY 69 69 18707 1 . ARG 70 70 18707 1 . GLN 71 71 18707 1 . VAL 72 72 18707 1 . LEU 73 73 18707 1 . ILE 74 74 18707 1 . ALA 75 75 18707 1 . LYS 76 76 18707 1 . VAL 77 77 18707 1 . THR 78 78 18707 1 . PRO 79 79 18707 1 . GLY 80 80 18707 1 . VAL 81 81 18707 1 . LEU 82 82 18707 1 . GLU 83 83 18707 1 . HIS 84 84 18707 1 . HIS 85 85 18707 1 . HIS 86 86 18707 1 . HIS 87 87 18707 1 . HIS 88 88 18707 1 . HIS 89 89 18707 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 18707 _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 $TamAd1 . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18707 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 18707 _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 $TamAd1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET-21d . . . . . . 18707 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18707 _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 'TamA domain I' '[U-99% 13C; U-99% 15N]' . . 1 $TamAd1 . . 1.8 . . mM 0.1 . . . 18707 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18707 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18707 1 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 18707 _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' 70 . mM 18707 1 pH 6.4 . pH 18707 1 pressure 1 . atm 18707 1 temperature 295 . K 18707 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18707 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18707 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18707 1 processing 18707 1 stop_ save_ save_AtnosCandid _Software.Sf_category software _Software.Sf_framecode AtnosCandid _Software.Entry_ID 18707 _Software.ID 2 _Software.Name ATHNOS-CANDID _Software.Version 2.0.2 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 18707 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18707 2 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 18707 _Software.ID 3 _Software.Name CNS _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 18707 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18707 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18707 _Software.ID 4 _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' . . 18707 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18707 4 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 18707 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details Clayton _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _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 18707 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details Bio21 _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18707 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 Clayton . . 18707 1 2 spectrometer_2 Bruker Avance . 800 Bio21 . . 18707 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 18707 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18707 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18707 1 3 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18707 1 4 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 1 5 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 1 6 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 1 7 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 1 8 '3D H(CCCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 1 9 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18707 1 10 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18707 1 11 '3D (H)C(CCO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 1 12 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18707 1 13 '2D (HB)CB(CGCD)HD' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 1 14 '2D (HB)CB(CGCDCE)HE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 1 15 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18707 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 18707 _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 . . . . . . . . . 18707 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18707 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18707 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 18707 _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 2 '2D 1H-13C HSQC' . . . 18707 1 4 '3D CBCA(CO)NH' . . . 18707 1 5 '3D HNCO' . . . 18707 1 6 '3D HNCACB' . . . 18707 1 8 '3D H(CCCO)NH' . . . 18707 1 11 '3D (H)C(CCO)NH' . . . 18707 1 12 '3D 1H-13C NOESY aromatic' . . . 18707 1 13 '2D (HB)CB(CGCD)HD' . . . 18707 1 14 '2D (HB)CB(CGCDCE)HE' . . . 18707 1 15 '3D HN(CA)CO' . . . 18707 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ASN HA H 1 5.067 0.02 . 1 . . . 1 23 ASN HA . 18707 1 2 . 1 1 2 2 ASN HB2 H 1 2.593 0.02 . 2 . . . 1 23 ASN HB2 . 18707 1 3 . 1 1 2 2 ASN HB3 H 1 2.68 0.02 . 2 . . . 1 23 ASN HB3 . 18707 1 4 . 1 1 2 2 ASN CA C 13 52.614 0.2 . 1 . . . 1 23 ASN CA . 18707 1 5 . 1 1 2 2 ASN CB C 13 38.87 0.2 . 1 . . . 1 23 ASN CB . 18707 1 6 . 1 1 3 3 VAL H H 1 8.277 0.02 . 1 . . . 1 24 VAL H . 18707 1 7 . 1 1 3 3 VAL HA H 1 4.899 0.02 . 1 . . . 1 24 VAL HA . 18707 1 8 . 1 1 3 3 VAL HB H 1 1.677 0.02 . 1 . . . 1 24 VAL HB . 18707 1 9 . 1 1 3 3 VAL HG11 H 1 0.478 0.02 . 2 . . . 1 24 VAL HG11 . 18707 1 10 . 1 1 3 3 VAL HG12 H 1 0.478 0.02 . 2 . . . 1 24 VAL HG12 . 18707 1 11 . 1 1 3 3 VAL HG13 H 1 0.478 0.02 . 2 . . . 1 24 VAL HG13 . 18707 1 12 . 1 1 3 3 VAL HG21 H 1 0.559 0.02 . 2 . . . 1 24 VAL HG21 . 18707 1 13 . 1 1 3 3 VAL HG22 H 1 0.559 0.02 . 2 . . . 1 24 VAL HG22 . 18707 1 14 . 1 1 3 3 VAL HG23 H 1 0.559 0.02 . 2 . . . 1 24 VAL HG23 . 18707 1 15 . 1 1 3 3 VAL CA C 13 60.235 0.2 . 1 . . . 1 24 VAL CA . 18707 1 16 . 1 1 3 3 VAL CB C 13 34.772 0.2 . 1 . . . 1 24 VAL CB . 18707 1 17 . 1 1 3 3 VAL CG1 C 13 21.544 0.2 . 1 . . . 1 24 VAL CG1 . 18707 1 18 . 1 1 3 3 VAL CG2 C 13 21.544 0.2 . 1 . . . 1 24 VAL CG2 . 18707 1 19 . 1 1 3 3 VAL N N 15 118.307 0.2 . 1 . . . 1 24 VAL N . 18707 1 20 . 1 1 4 4 ARG H H 1 8.95 0.02 . 1 . . . 1 25 ARG H . 18707 1 21 . 1 1 4 4 ARG HA H 1 4.52 0.02 . 1 . . . 1 25 ARG HA . 18707 1 22 . 1 1 4 4 ARG HB2 H 1 1.384 0.02 . 2 . . . 1 25 ARG HB2 . 18707 1 23 . 1 1 4 4 ARG HB3 H 1 1.522 0.02 . 2 . . . 1 25 ARG HB3 . 18707 1 24 . 1 1 4 4 ARG HG2 H 1 1.411 0.02 . 2 . . . 1 25 ARG HG2 . 18707 1 25 . 1 1 4 4 ARG HG3 H 1 1.411 0.02 . 2 . . . 1 25 ARG HG3 . 18707 1 26 . 1 1 4 4 ARG HD2 H 1 3.079 0.02 . 2 . . . 1 25 ARG HD2 . 18707 1 27 . 1 1 4 4 ARG HD3 H 1 2.848 0.02 . 2 . . . 1 25 ARG HD3 . 18707 1 28 . 1 1 4 4 ARG CA C 13 54.274 0.2 . 1 . . . 1 25 ARG CA . 18707 1 29 . 1 1 4 4 ARG CB C 13 32.88 0.2 . 1 . . . 1 25 ARG CB . 18707 1 30 . 1 1 4 4 ARG CG C 13 26.982 0.2 . 1 . . . 1 25 ARG CG . 18707 1 31 . 1 1 4 4 ARG CD C 13 43.498 0.2 . 1 . . . 1 25 ARG CD . 18707 1 32 . 1 1 4 4 ARG N N 15 124.399 0.2 . 1 . . . 1 25 ARG N . 18707 1 33 . 1 1 5 5 LEU H H 1 8.709 0.02 . 1 . . . 1 26 LEU H . 18707 1 34 . 1 1 5 5 LEU HA H 1 5.019 0.02 . 1 . . . 1 26 LEU HA . 18707 1 35 . 1 1 5 5 LEU HB2 H 1 1.416 0.02 . 2 . . . 1 26 LEU HB2 . 18707 1 36 . 1 1 5 5 LEU HB3 H 1 1.591 0.02 . 2 . . . 1 26 LEU HB3 . 18707 1 37 . 1 1 5 5 LEU HD11 H 1 0.892 0.02 . 2 . . . 1 26 LEU HD11 . 18707 1 38 . 1 1 5 5 LEU HD12 H 1 0.892 0.02 . 2 . . . 1 26 LEU HD12 . 18707 1 39 . 1 1 5 5 LEU HD13 H 1 0.892 0.02 . 2 . . . 1 26 LEU HD13 . 18707 1 40 . 1 1 5 5 LEU HD21 H 1 0.867 0.02 . 2 . . . 1 26 LEU HD21 . 18707 1 41 . 1 1 5 5 LEU HD22 H 1 0.867 0.02 . 2 . . . 1 26 LEU HD22 . 18707 1 42 . 1 1 5 5 LEU HD23 H 1 0.867 0.02 . 2 . . . 1 26 LEU HD23 . 18707 1 43 . 1 1 5 5 LEU CA C 13 53.691 0.2 . 1 . . . 1 26 LEU CA . 18707 1 44 . 1 1 5 5 LEU CB C 13 43.02 0.2 . 1 . . . 1 26 LEU CB . 18707 1 45 . 1 1 5 5 LEU CD1 C 13 25.126 0.2 . 1 . . . 1 26 LEU CD1 . 18707 1 46 . 1 1 5 5 LEU CD2 C 13 25.872 0.2 . 1 . . . 1 26 LEU CD2 . 18707 1 47 . 1 1 5 5 LEU N N 15 124.758 0.2 . 1 . . . 1 26 LEU N . 18707 1 48 . 1 1 6 6 GLN H H 1 8.898 0.02 . 1 . . . 1 27 GLN H . 18707 1 49 . 1 1 6 6 GLN HA H 1 4.572 0.02 . 1 . . . 1 27 GLN HA . 18707 1 50 . 1 1 6 6 GLN HB2 H 1 1.68 0.02 . 2 . . . 1 27 GLN HB2 . 18707 1 51 . 1 1 6 6 GLN HB3 H 1 1.792 0.02 . 2 . . . 1 27 GLN HB3 . 18707 1 52 . 1 1 6 6 GLN HG2 H 1 2.068 0.02 . 2 . . . 1 27 GLN HG2 . 18707 1 53 . 1 1 6 6 GLN HG3 H 1 2.068 0.02 . 2 . . . 1 27 GLN HG3 . 18707 1 54 . 1 1 6 6 GLN CA C 13 54.274 0.2 . 1 . . . 1 27 GLN CA . 18707 1 55 . 1 1 6 6 GLN CB C 13 31.457 0.2 . 1 . . . 1 27 GLN CB . 18707 1 56 . 1 1 6 6 GLN CG C 13 33.819 0.2 . 1 . . . 1 27 GLN CG . 18707 1 57 . 1 1 6 6 GLN N N 15 126.15 0.2 . 1 . . . 1 27 GLN N . 18707 1 58 . 1 1 7 7 VAL H H 1 8.598 0.02 . 1 . . . 1 28 VAL H . 18707 1 59 . 1 1 7 7 VAL HA H 1 4.757 0.02 . 1 . . . 1 28 VAL HA . 18707 1 60 . 1 1 7 7 VAL HB H 1 1.79 0.02 . 1 . . . 1 28 VAL HB . 18707 1 61 . 1 1 7 7 VAL HG11 H 1 0.706 0.02 . 2 . . . 1 28 VAL HG11 . 18707 1 62 . 1 1 7 7 VAL HG12 H 1 0.706 0.02 . 2 . . . 1 28 VAL HG12 . 18707 1 63 . 1 1 7 7 VAL HG13 H 1 0.706 0.02 . 2 . . . 1 28 VAL HG13 . 18707 1 64 . 1 1 7 7 VAL HG21 H 1 0.675 0.02 . 2 . . . 1 28 VAL HG21 . 18707 1 65 . 1 1 7 7 VAL HG22 H 1 0.675 0.02 . 2 . . . 1 28 VAL HG22 . 18707 1 66 . 1 1 7 7 VAL HG23 H 1 0.675 0.02 . 2 . . . 1 28 VAL HG23 . 18707 1 67 . 1 1 7 7 VAL CA C 13 61.077 0.2 . 1 . . . 1 28 VAL CA . 18707 1 68 . 1 1 7 7 VAL CB C 13 32.758 0.2 . 1 . . . 1 28 VAL CB . 18707 1 69 . 1 1 7 7 VAL CG1 C 13 20.844 0.2 . 1 . . . 1 28 VAL CG1 . 18707 1 70 . 1 1 7 7 VAL CG2 C 13 21.554 0.2 . 1 . . . 1 28 VAL CG2 . 18707 1 71 . 1 1 7 7 VAL N N 15 123.821 0.2 . 1 . . . 1 28 VAL N . 18707 1 72 . 1 1 8 8 GLU H H 1 9.063 0.02 . 1 . . . 1 29 GLU H . 18707 1 73 . 1 1 8 8 GLU HA H 1 4.675 0.02 . 1 . . . 1 29 GLU HA . 18707 1 74 . 1 1 8 8 GLU HB2 H 1 1.517 0.02 . 2 . . . 1 29 GLU HB2 . 18707 1 75 . 1 1 8 8 GLU HB3 H 1 1.899 0.02 . 2 . . . 1 29 GLU HB3 . 18707 1 76 . 1 1 8 8 GLU HG2 H 1 2.022 0.02 . 2 . . . 1 29 GLU HG2 . 18707 1 77 . 1 1 8 8 GLU HG3 H 1 2.022 0.02 . 2 . . . 1 29 GLU HG3 . 18707 1 78 . 1 1 8 8 GLU CA C 13 54.792 0.2 . 1 . . . 1 29 GLU CA . 18707 1 79 . 1 1 8 8 GLU CB C 13 33.113 0.2 . 1 . . . 1 29 GLU CB . 18707 1 80 . 1 1 8 8 GLU CG C 13 36.277 0.2 . 1 . . . 1 29 GLU CG . 18707 1 81 . 1 1 8 8 GLU N N 15 126.682 0.2 . 1 . . . 1 29 GLU N . 18707 1 82 . 1 1 9 9 GLY H H 1 8.558 0.02 . 1 . . . 1 30 GLY H . 18707 1 83 . 1 1 9 9 GLY HA2 H 1 3.475 0.02 . 2 . . . 1 30 GLY HA2 . 18707 1 84 . 1 1 9 9 GLY HA3 H 1 4.831 0.02 . 2 . . . 1 30 GLY HA3 . 18707 1 85 . 1 1 9 9 GLY CA C 13 44.49 0.2 . 1 . . . 1 30 GLY CA . 18707 1 86 . 1 1 9 9 GLY N N 15 106.575 0.2 . 1 . . . 1 30 GLY N . 18707 1 87 . 1 1 10 10 LEU H H 1 7.922 0.02 . 1 . . . 1 31 LEU H . 18707 1 88 . 1 1 10 10 LEU HA H 1 4.65 0.02 . 1 . . . 1 31 LEU HA . 18707 1 89 . 1 1 10 10 LEU HB2 H 1 0.878 0.02 . 2 . . . 1 31 LEU HB2 . 18707 1 90 . 1 1 10 10 LEU HB3 H 1 1.561 0.02 . 2 . . . 1 31 LEU HB3 . 18707 1 91 . 1 1 10 10 LEU HG H 1 1.222 0.02 . 1 . . . 1 31 LEU HG . 18707 1 92 . 1 1 10 10 LEU HD11 H 1 0.539 0.02 . 2 . . . 1 31 LEU HD11 . 18707 1 93 . 1 1 10 10 LEU HD12 H 1 0.539 0.02 . 2 . . . 1 31 LEU HD12 . 18707 1 94 . 1 1 10 10 LEU HD13 H 1 0.539 0.02 . 2 . . . 1 31 LEU HD13 . 18707 1 95 . 1 1 10 10 LEU HD21 H 1 0.503 0.02 . 2 . . . 1 31 LEU HD21 . 18707 1 96 . 1 1 10 10 LEU HD22 H 1 0.503 0.02 . 2 . . . 1 31 LEU HD22 . 18707 1 97 . 1 1 10 10 LEU HD23 H 1 0.503 0.02 . 2 . . . 1 31 LEU HD23 . 18707 1 98 . 1 1 10 10 LEU CA C 13 52.459 0.2 . 1 . . . 1 31 LEU CA . 18707 1 99 . 1 1 10 10 LEU CB C 13 44.36 0.2 . 1 . . . 1 31 LEU CB . 18707 1 100 . 1 1 10 10 LEU CG C 13 26.434 0.2 . 1 . . . 1 31 LEU CG . 18707 1 101 . 1 1 10 10 LEU CD1 C 13 27.093 0.2 . 1 . . . 1 31 LEU CD1 . 18707 1 102 . 1 1 10 10 LEU CD2 C 13 22.918 0.2 . 1 . . . 1 31 LEU CD2 . 18707 1 103 . 1 1 10 10 LEU N N 15 115.112 0.2 . 1 . . . 1 31 LEU N . 18707 1 104 . 1 1 11 11 SER H H 1 7.972 0.02 . 1 . . . 1 32 SER H . 18707 1 105 . 1 1 11 11 SER HA H 1 4.656 0.02 . 1 . . . 1 32 SER HA . 18707 1 106 . 1 1 11 11 SER HB2 H 1 3.798 0.02 . 2 . . . 1 32 SER HB2 . 18707 1 107 . 1 1 11 11 SER HB3 H 1 3.739 0.02 . 2 . . . 1 32 SER HB3 . 18707 1 108 . 1 1 11 11 SER CA C 13 56.95 0.2 . 1 . . . 1 32 SER CA . 18707 1 109 . 1 1 11 11 SER CB C 13 65.743 0.2 . 1 . . . 1 32 SER CB . 18707 1 110 . 1 1 11 11 SER N N 15 111.976 0.2 . 1 . . . 1 32 SER N . 18707 1 111 . 1 1 12 12 GLY H H 1 8.85 0.02 . 1 . . . 1 33 GLY H . 18707 1 112 . 1 1 12 12 GLY HA2 H 1 3.889 0.02 . 2 . . . 1 33 GLY HA2 . 18707 1 113 . 1 1 12 12 GLY HA3 H 1 3.798 0.02 . 2 . . . 1 33 GLY HA3 . 18707 1 114 . 1 1 12 12 GLY CA C 13 46.663 0.2 . 1 . . . 1 33 GLY CA . 18707 1 115 . 1 1 12 12 GLY N N 15 107.294 0.2 . 1 . . . 1 33 GLY N . 18707 1 116 . 1 1 13 13 GLN HA H 1 3.815 0.02 . 1 . . . 1 34 GLN HA . 18707 1 117 . 1 1 13 13 GLN HB2 H 1 1.967 0.02 . 2 . . . 1 34 GLN HB2 . 18707 1 118 . 1 1 13 13 GLN HB3 H 1 2.066 0.02 . 2 . . . 1 34 GLN HB3 . 18707 1 119 . 1 1 13 13 GLN HG2 H 1 2.369 0.02 . 2 . . . 1 34 GLN HG2 . 18707 1 120 . 1 1 13 13 GLN HG3 H 1 2.369 0.02 . 2 . . . 1 34 GLN HG3 . 18707 1 121 . 1 1 13 13 GLN CA C 13 57.917 0.2 . 1 . . . 1 34 GLN CA . 18707 1 122 . 1 1 13 13 GLN CB C 13 28.544 0.2 . 1 . . . 1 34 GLN CB . 18707 1 123 . 1 1 13 13 GLN CG C 13 33.686 0.2 . 1 . . . 1 34 GLN CG . 18707 1 124 . 1 1 14 14 LEU H H 1 7.712 0.02 . 1 . . . 1 35 LEU H . 18707 1 125 . 1 1 14 14 LEU HA H 1 3.751 0.02 . 1 . . . 1 35 LEU HA . 18707 1 126 . 1 1 14 14 LEU HB2 H 1 1.389 0.02 . 2 . . . 1 35 LEU HB2 . 18707 1 127 . 1 1 14 14 LEU HB3 H 1 1.807 0.02 . 2 . . . 1 35 LEU HB3 . 18707 1 128 . 1 1 14 14 LEU HG H 1 1.455 0.02 . 1 . . . 1 35 LEU HG . 18707 1 129 . 1 1 14 14 LEU HD11 H 1 0.452 0.02 . 2 . . . 1 35 LEU HD11 . 18707 1 130 . 1 1 14 14 LEU HD12 H 1 0.452 0.02 . 2 . . . 1 35 LEU HD12 . 18707 1 131 . 1 1 14 14 LEU HD13 H 1 0.452 0.02 . 2 . . . 1 35 LEU HD13 . 18707 1 132 . 1 1 14 14 LEU HD21 H 1 0.851 0.02 . 2 . . . 1 35 LEU HD21 . 18707 1 133 . 1 1 14 14 LEU HD22 H 1 0.851 0.02 . 2 . . . 1 35 LEU HD22 . 18707 1 134 . 1 1 14 14 LEU HD23 H 1 0.851 0.02 . 2 . . . 1 35 LEU HD23 . 18707 1 135 . 1 1 14 14 LEU CA C 13 59.717 0.2 . 1 . . . 1 35 LEU CA . 18707 1 136 . 1 1 14 14 LEU CB C 13 42.027 0.2 . 1 . . . 1 35 LEU CB . 18707 1 137 . 1 1 14 14 LEU CG C 13 29.66 0.2 . 1 . . . 1 35 LEU CG . 18707 1 138 . 1 1 14 14 LEU CD1 C 13 25.538 0.2 . 1 . . . 1 35 LEU CD1 . 18707 1 139 . 1 1 14 14 LEU CD2 C 13 24.473 0.2 . 1 . . . 1 35 LEU CD2 . 18707 1 140 . 1 1 14 14 LEU N N 15 117.563 0.2 . 1 . . . 1 35 LEU N . 18707 1 141 . 1 1 15 15 GLU H H 1 6.729 0.02 . 1 . . . 1 36 GLU H . 18707 1 142 . 1 1 15 15 GLU HA H 1 3.388 0.02 . 1 . . . 1 36 GLU HA . 18707 1 143 . 1 1 15 15 GLU HB2 H 1 1.263 0.02 . 2 . . . 1 36 GLU HB2 . 18707 1 144 . 1 1 15 15 GLU HB3 H 1 1.833 0.02 . 2 . . . 1 36 GLU HB3 . 18707 1 145 . 1 1 15 15 GLU HG2 H 1 1.923 0.02 . 2 . . . 1 36 GLU HG2 . 18707 1 146 . 1 1 15 15 GLU HG3 H 1 1.923 0.02 . 2 . . . 1 36 GLU HG3 . 18707 1 147 . 1 1 15 15 GLU CA C 13 59.263 0.2 . 1 . . . 1 36 GLU CA . 18707 1 148 . 1 1 15 15 GLU CB C 13 28.614 0.2 . 1 . . . 1 36 GLU CB . 18707 1 149 . 1 1 15 15 GLU CG C 13 35.571 0.2 . 1 . . . 1 36 GLU CG . 18707 1 150 . 1 1 15 15 GLU N N 15 116.196 0.2 . 1 . . . 1 36 GLU N . 18707 1 151 . 1 1 16 16 LYS H H 1 7.593 0.02 . 1 . . . 1 37 LYS H . 18707 1 152 . 1 1 16 16 LYS HA H 1 3.734 0.02 . 1 . . . 1 37 LYS HA . 18707 1 153 . 1 1 16 16 LYS HB2 H 1 1.742 0.02 . 2 . . . 1 37 LYS HB2 . 18707 1 154 . 1 1 16 16 LYS HB3 H 1 1.742 0.02 . 2 . . . 1 37 LYS HB3 . 18707 1 155 . 1 1 16 16 LYS HG2 H 1 1.275 0.02 . 2 . . . 1 37 LYS HG2 . 18707 1 156 . 1 1 16 16 LYS HG3 H 1 1.422 0.02 . 2 . . . 1 37 LYS HG3 . 18707 1 157 . 1 1 16 16 LYS HD2 H 1 1.535 0.02 . 2 . . . 1 37 LYS HD2 . 18707 1 158 . 1 1 16 16 LYS HD3 H 1 1.535 0.02 . 2 . . . 1 37 LYS HD3 . 18707 1 159 . 1 1 16 16 LYS HE2 H 1 2.828 0.02 . 2 . . . 1 37 LYS HE2 . 18707 1 160 . 1 1 16 16 LYS HE3 H 1 2.828 0.02 . 2 . . . 1 37 LYS HE3 . 18707 1 161 . 1 1 16 16 LYS CA C 13 60.01 0.2 . 1 . . . 1 37 LYS CA . 18707 1 162 . 1 1 16 16 LYS CB C 13 32.521 0.2 . 1 . . . 1 37 LYS CB . 18707 1 163 . 1 1 16 16 LYS CG C 13 25.083 0.2 . 1 . . . 1 37 LYS CG . 18707 1 164 . 1 1 16 16 LYS CD C 13 29.144 0.2 . 1 . . . 1 37 LYS CD . 18707 1 165 . 1 1 16 16 LYS CE C 13 43.696 0.2 . 1 . . . 1 37 LYS CE . 18707 1 166 . 1 1 16 16 LYS N N 15 116.536 0.2 . 1 . . . 1 37 LYS N . 18707 1 167 . 1 1 17 17 ASN H H 1 8.376 0.02 . 1 . . . 1 38 ASN H . 18707 1 168 . 1 1 17 17 ASN HA H 1 4.299 0.02 . 1 . . . 1 38 ASN HA . 18707 1 169 . 1 1 17 17 ASN HB2 H 1 2.614 0.02 . 2 . . . 1 38 ASN HB2 . 18707 1 170 . 1 1 17 17 ASN HB3 H 1 2.737 0.02 . 2 . . . 1 38 ASN HB3 . 18707 1 171 . 1 1 17 17 ASN CA C 13 56.312 0.2 . 1 . . . 1 38 ASN CA . 18707 1 172 . 1 1 17 17 ASN CB C 13 38.312 0.2 . 1 . . . 1 38 ASN CB . 18707 1 173 . 1 1 17 17 ASN N N 15 117.4 0.2 . 1 . . . 1 38 ASN N . 18707 1 174 . 1 1 18 18 VAL H H 1 7.836 0.02 . 1 . . . 1 39 VAL H . 18707 1 175 . 1 1 18 18 VAL HA H 1 3.431 0.02 . 1 . . . 1 39 VAL HA . 18707 1 176 . 1 1 18 18 VAL HB H 1 1.928 0.02 . 1 . . . 1 39 VAL HB . 18707 1 177 . 1 1 18 18 VAL HG11 H 1 0.733 0.02 . 2 . . . 1 39 VAL HG11 . 18707 1 178 . 1 1 18 18 VAL HG12 H 1 0.733 0.02 . 2 . . . 1 39 VAL HG12 . 18707 1 179 . 1 1 18 18 VAL HG13 H 1 0.733 0.02 . 2 . . . 1 39 VAL HG13 . 18707 1 180 . 1 1 18 18 VAL HG21 H 1 0.891 0.02 . 2 . . . 1 39 VAL HG21 . 18707 1 181 . 1 1 18 18 VAL HG22 H 1 0.891 0.02 . 2 . . . 1 39 VAL HG22 . 18707 1 182 . 1 1 18 18 VAL HG23 H 1 0.891 0.02 . 2 . . . 1 39 VAL HG23 . 18707 1 183 . 1 1 18 18 VAL CA C 13 67.475 0.2 . 1 . . . 1 39 VAL CA . 18707 1 184 . 1 1 18 18 VAL CB C 13 31.404 0.2 . 1 . . . 1 39 VAL CB . 18707 1 185 . 1 1 18 18 VAL CG1 C 13 22.877 0.2 . 1 . . . 1 39 VAL CG1 . 18707 1 186 . 1 1 18 18 VAL CG2 C 13 24.75 0.2 . 1 . . . 1 39 VAL CG2 . 18707 1 187 . 1 1 18 18 VAL N N 15 117.957 0.2 . 1 . . . 1 39 VAL N . 18707 1 188 . 1 1 19 19 ARG H H 1 8.62 0.02 . 1 . . . 1 40 ARG H . 18707 1 189 . 1 1 19 19 ARG HA H 1 3.725 0.02 . 1 . . . 1 40 ARG HA . 18707 1 190 . 1 1 19 19 ARG HB2 H 1 1.758 0.02 . 2 . . . 1 40 ARG HB2 . 18707 1 191 . 1 1 19 19 ARG HB3 H 1 1.758 0.02 . 2 . . . 1 40 ARG HB3 . 18707 1 192 . 1 1 19 19 ARG HG2 H 1 1.492 0.02 . 2 . . . 1 40 ARG HG2 . 18707 1 193 . 1 1 19 19 ARG HG3 H 1 1.492 0.02 . 2 . . . 1 40 ARG HG3 . 18707 1 194 . 1 1 19 19 ARG HD2 H 1 3.058 0.02 . 2 . . . 1 40 ARG HD2 . 18707 1 195 . 1 1 19 19 ARG HD3 H 1 3.058 0.02 . 2 . . . 1 40 ARG HD3 . 18707 1 196 . 1 1 19 19 ARG CA C 13 60.149 0.2 . 1 . . . 1 40 ARG CA . 18707 1 197 . 1 1 19 19 ARG CB C 13 29.242 0.2 . 1 . . . 1 40 ARG CB . 18707 1 198 . 1 1 19 19 ARG CG C 13 27.606 0.2 . 1 . . . 1 40 ARG CG . 18707 1 199 . 1 1 19 19 ARG CD C 13 43.062 0.2 . 1 . . . 1 40 ARG CD . 18707 1 200 . 1 1 19 19 ARG N N 15 118.278 0.2 . 1 . . . 1 40 ARG N . 18707 1 201 . 1 1 20 20 ALA H H 1 7.735 0.02 . 1 . . . 1 41 ALA H . 18707 1 202 . 1 1 20 20 ALA HA H 1 4.076 0.02 . 1 . . . 1 41 ALA HA . 18707 1 203 . 1 1 20 20 ALA HB1 H 1 1.41 0.02 . 1 . . . 1 41 ALA HB1 . 18707 1 204 . 1 1 20 20 ALA HB2 H 1 1.41 0.02 . 1 . . . 1 41 ALA HB2 . 18707 1 205 . 1 1 20 20 ALA HB3 H 1 1.41 0.02 . 1 . . . 1 41 ALA HB3 . 18707 1 206 . 1 1 20 20 ALA CA C 13 55.126 0.2 . 1 . . . 1 41 ALA CA . 18707 1 207 . 1 1 20 20 ALA CB C 13 17.59 0.2 . 1 . . . 1 41 ALA CB . 18707 1 208 . 1 1 20 20 ALA N N 15 118.911 0.2 . 1 . . . 1 41 ALA N . 18707 1 209 . 1 1 21 21 GLN H H 1 7.494 0.02 . 1 . . . 1 42 GLN H . 18707 1 210 . 1 1 21 21 GLN HA H 1 3.967 0.02 . 1 . . . 1 42 GLN HA . 18707 1 211 . 1 1 21 21 GLN HB2 H 1 1.965 0.02 . 2 . . . 1 42 GLN HB2 . 18707 1 212 . 1 1 21 21 GLN HB3 H 1 2.042 0.02 . 2 . . . 1 42 GLN HB3 . 18707 1 213 . 1 1 21 21 GLN HG2 H 1 2.287 0.02 . 2 . . . 1 42 GLN HG2 . 18707 1 214 . 1 1 21 21 GLN HG3 H 1 2.538 0.02 . 2 . . . 1 42 GLN HG3 . 18707 1 215 . 1 1 21 21 GLN HE21 H 1 6.82 0.02 . 2 . . . 1 42 GLN HE21 . 18707 1 216 . 1 1 21 21 GLN HE22 H 1 7.443 0.02 . 2 . . . 1 42 GLN HE22 . 18707 1 217 . 1 1 21 21 GLN CA C 13 57.496 0.2 . 1 . . . 1 42 GLN CA . 18707 1 218 . 1 1 21 21 GLN CB C 13 28.474 0.2 . 1 . . . 1 42 GLN CB . 18707 1 219 . 1 1 21 21 GLN CG C 13 32.664 0.2 . 1 . . . 1 42 GLN CG . 18707 1 220 . 1 1 21 21 GLN N N 15 115.896 0.2 . 1 . . . 1 42 GLN N . 18707 1 221 . 1 1 21 21 GLN NE2 N 15 109.776 0.2 . 1 . . . 1 42 GLN NE2 . 18707 1 222 . 1 1 22 22 LEU H H 1 8.134 0.02 . 1 . . . 1 43 LEU H . 18707 1 223 . 1 1 22 22 LEU HA H 1 3.941 0.02 . 1 . . . 1 43 LEU HA . 18707 1 224 . 1 1 22 22 LEU HB2 H 1 1.418 0.02 . 2 . . . 1 43 LEU HB2 . 18707 1 225 . 1 1 22 22 LEU HB3 H 1 1.755 0.02 . 2 . . . 1 43 LEU HB3 . 18707 1 226 . 1 1 22 22 LEU HG H 1 1.667 0.02 . 1 . . . 1 43 LEU HG . 18707 1 227 . 1 1 22 22 LEU HD11 H 1 0.671 0.02 . 2 . . . 1 43 LEU HD11 . 18707 1 228 . 1 1 22 22 LEU HD12 H 1 0.671 0.02 . 2 . . . 1 43 LEU HD12 . 18707 1 229 . 1 1 22 22 LEU HD13 H 1 0.671 0.02 . 2 . . . 1 43 LEU HD13 . 18707 1 230 . 1 1 22 22 LEU HD21 H 1 0.591 0.02 . 2 . . . 1 43 LEU HD21 . 18707 1 231 . 1 1 22 22 LEU HD22 H 1 0.591 0.02 . 2 . . . 1 43 LEU HD22 . 18707 1 232 . 1 1 22 22 LEU HD23 H 1 0.591 0.02 . 2 . . . 1 43 LEU HD23 . 18707 1 233 . 1 1 22 22 LEU CA C 13 56.447 0.2 . 1 . . . 1 43 LEU CA . 18707 1 234 . 1 1 22 22 LEU CB C 13 41.312 0.2 . 1 . . . 1 43 LEU CB . 18707 1 235 . 1 1 22 22 LEU CG C 13 26.361 0.2 . 1 . . . 1 43 LEU CG . 18707 1 236 . 1 1 22 22 LEU CD1 C 13 23.504 0.2 . 1 . . . 1 43 LEU CD1 . 18707 1 237 . 1 1 22 22 LEU CD2 C 13 25.995 0.2 . 1 . . . 1 43 LEU CD2 . 18707 1 238 . 1 1 22 22 LEU N N 15 116.448 0.2 . 1 . . . 1 43 LEU N . 18707 1 239 . 1 1 23 23 SER H H 1 7.691 0.02 . 1 . . . 1 44 SER H . 18707 1 240 . 1 1 23 23 SER HA H 1 4.166 0.02 . 1 . . . 1 44 SER HA . 18707 1 241 . 1 1 23 23 SER HB2 H 1 3.925 0.02 . 2 . . . 1 44 SER HB2 . 18707 1 242 . 1 1 23 23 SER HB3 H 1 3.925 0.02 . 2 . . . 1 44 SER HB3 . 18707 1 243 . 1 1 23 23 SER CA C 13 61.545 0.2 . 1 . . . 1 44 SER CA . 18707 1 244 . 1 1 23 23 SER CB C 13 63.219 0.2 . 1 . . . 1 44 SER CB . 18707 1 245 . 1 1 23 23 SER N N 15 113 0.2 . 1 . . . 1 44 SER N . 18707 1 246 . 1 1 24 24 THR H H 1 7.271 0.02 . 1 . . . 1 45 THR H . 18707 1 247 . 1 1 24 24 THR HA H 1 4.24 0.02 . 1 . . . 1 45 THR HA . 18707 1 248 . 1 1 24 24 THR HB H 1 4.326 0.02 . 1 . . . 1 45 THR HB . 18707 1 249 . 1 1 24 24 THR HG21 H 1 1.146 0.02 . 1 . . . 1 45 THR HG21 . 18707 1 250 . 1 1 24 24 THR HG22 H 1 1.146 0.02 . 1 . . . 1 45 THR HG22 . 18707 1 251 . 1 1 24 24 THR HG23 H 1 1.146 0.02 . 1 . . . 1 45 THR HG23 . 18707 1 252 . 1 1 24 24 THR CA C 13 62.382 0.2 . 1 . . . 1 45 THR CA . 18707 1 253 . 1 1 24 24 THR CB C 13 69.219 0.2 . 1 . . . 1 45 THR CB . 18707 1 254 . 1 1 24 24 THR CG2 C 13 21.526 0.2 . 1 . . . 1 45 THR CG2 . 18707 1 255 . 1 1 24 24 THR N N 15 108.296 0.2 . 1 . . . 1 45 THR N . 18707 1 256 . 1 1 25 25 ILE H H 1 7.346 0.02 . 1 . . . 1 46 ILE H . 18707 1 257 . 1 1 25 25 ILE HA H 1 3.933 0.02 . 1 . . . 1 46 ILE HA . 18707 1 258 . 1 1 25 25 ILE HB H 1 1.823 0.02 . 1 . . . 1 46 ILE HB . 18707 1 259 . 1 1 25 25 ILE HG12 H 1 1.358 0.02 . 2 . . . 1 46 ILE HG12 . 18707 1 260 . 1 1 25 25 ILE HG13 H 1 0.965 0.02 . 2 . . . 1 46 ILE HG13 . 18707 1 261 . 1 1 25 25 ILE HG21 H 1 0.679 0.02 . 1 . . . 1 46 ILE HG21 . 18707 1 262 . 1 1 25 25 ILE HG22 H 1 0.679 0.02 . 1 . . . 1 46 ILE HG22 . 18707 1 263 . 1 1 25 25 ILE HG23 H 1 0.679 0.02 . 1 . . . 1 46 ILE HG23 . 18707 1 264 . 1 1 25 25 ILE HD11 H 1 0.539 0.02 . 1 . . . 1 46 ILE HD11 . 18707 1 265 . 1 1 25 25 ILE HD12 H 1 0.539 0.02 . 1 . . . 1 46 ILE HD12 . 18707 1 266 . 1 1 25 25 ILE HD13 H 1 0.539 0.02 . 1 . . . 1 46 ILE HD13 . 18707 1 267 . 1 1 25 25 ILE CA C 13 61.202 0.2 . 1 . . . 1 46 ILE CA . 18707 1 268 . 1 1 25 25 ILE CB C 13 37.915 0.2 . 1 . . . 1 46 ILE CB . 18707 1 269 . 1 1 25 25 ILE CG1 C 13 27.533 0.2 . 1 . . . 1 46 ILE CG1 . 18707 1 270 . 1 1 25 25 ILE CG2 C 13 17.308 0.2 . 1 . . . 1 46 ILE CG2 . 18707 1 271 . 1 1 25 25 ILE CD1 C 13 13.323 0.2 . 1 . . . 1 46 ILE CD1 . 18707 1 272 . 1 1 25 25 ILE N N 15 120.851 0.2 . 1 . . . 1 46 ILE N . 18707 1 273 . 1 1 26 26 GLU H H 1 8.585 0.02 . 1 . . . 1 47 GLU H . 18707 1 274 . 1 1 26 26 GLU HA H 1 4.148 0.02 . 1 . . . 1 47 GLU HA . 18707 1 275 . 1 1 26 26 GLU HB2 H 1 1.968 0.02 . 2 . . . 1 47 GLU HB2 . 18707 1 276 . 1 1 26 26 GLU HB3 H 1 2.038 0.02 . 2 . . . 1 47 GLU HB3 . 18707 1 277 . 1 1 26 26 GLU HG2 H 1 2.28 0.02 . 2 . . . 1 47 GLU HG2 . 18707 1 278 . 1 1 26 26 GLU HG3 H 1 2.28 0.02 . 2 . . . 1 47 GLU HG3 . 18707 1 279 . 1 1 26 26 GLU CA C 13 57.568 0.2 . 1 . . . 1 47 GLU CA . 18707 1 280 . 1 1 26 26 GLU CB C 13 29.66 0.2 . 1 . . . 1 47 GLU CB . 18707 1 281 . 1 1 26 26 GLU CG C 13 36.363 0.2 . 1 . . . 1 47 GLU CG . 18707 1 282 . 1 1 26 26 GLU N N 15 124.953 0.2 . 1 . . . 1 47 GLU N . 18707 1 283 . 1 1 27 27 SER H H 1 8.27 0.02 . 1 . . . 1 48 SER H . 18707 1 284 . 1 1 27 27 SER HA H 1 4.459 0.02 . 1 . . . 1 48 SER HA . 18707 1 285 . 1 1 27 27 SER HB2 H 1 3.685 0.02 . 2 . . . 1 48 SER HB2 . 18707 1 286 . 1 1 27 27 SER HB3 H 1 3.944 0.02 . 2 . . . 1 48 SER HB3 . 18707 1 287 . 1 1 27 27 SER CA C 13 58.335 0.2 . 1 . . . 1 48 SER CA . 18707 1 288 . 1 1 27 27 SER CB C 13 64.392 0.2 . 1 . . . 1 48 SER CB . 18707 1 289 . 1 1 27 27 SER N N 15 113.509 0.2 . 1 . . . 1 48 SER N . 18707 1 290 . 1 1 28 28 ASP H H 1 7.839 0.02 . 1 . . . 1 49 ASP H . 18707 1 291 . 1 1 28 28 ASP HA H 1 4.788 0.02 . 1 . . . 1 49 ASP HA . 18707 1 292 . 1 1 28 28 ASP HB2 H 1 2.548 0.02 . 2 . . . 1 49 ASP HB2 . 18707 1 293 . 1 1 28 28 ASP HB3 H 1 2.548 0.02 . 2 . . . 1 49 ASP HB3 . 18707 1 294 . 1 1 28 28 ASP CA C 13 54.149 0.2 . 1 . . . 1 49 ASP CA . 18707 1 295 . 1 1 28 28 ASP CB C 13 41.691 0.2 . 1 . . . 1 49 ASP CB . 18707 1 296 . 1 1 28 28 ASP N N 15 120.262 0.2 . 1 . . . 1 49 ASP N . 18707 1 297 . 1 1 29 29 GLU H H 1 8.28 0.02 . 1 . . . 1 50 GLU H . 18707 1 298 . 1 1 29 29 GLU HA H 1 3.978 0.02 . 1 . . . 1 50 GLU HA . 18707 1 299 . 1 1 29 29 GLU HB2 H 1 1.816 0.02 . 2 . . . 1 50 GLU HB2 . 18707 1 300 . 1 1 29 29 GLU HB3 H 1 1.948 0.02 . 2 . . . 1 50 GLU HB3 . 18707 1 301 . 1 1 29 29 GLU HG2 H 1 2.057 0.02 . 2 . . . 1 50 GLU HG2 . 18707 1 302 . 1 1 29 29 GLU HG3 H 1 2.057 0.02 . 2 . . . 1 50 GLU HG3 . 18707 1 303 . 1 1 29 29 GLU CA C 13 56.307 0.2 . 1 . . . 1 50 GLU CA . 18707 1 304 . 1 1 29 29 GLU CB C 13 28.404 0.2 . 1 . . . 1 50 GLU CB . 18707 1 305 . 1 1 29 29 GLU CG C 13 36.176 0.2 . 1 . . . 1 50 GLU CG . 18707 1 306 . 1 1 29 29 GLU N N 15 118.642 0.2 . 1 . . . 1 50 GLU N . 18707 1 307 . 1 1 30 30 VAL H H 1 8.089 0.02 . 1 . . . 1 51 VAL H . 18707 1 308 . 1 1 30 30 VAL HA H 1 4.112 0.02 . 1 . . . 1 51 VAL HA . 18707 1 309 . 1 1 30 30 VAL HB H 1 1.533 0.02 . 1 . . . 1 51 VAL HB . 18707 1 310 . 1 1 30 30 VAL HG11 H 1 0.421 0.02 . 2 . . . 1 51 VAL HG11 . 18707 1 311 . 1 1 30 30 VAL HG12 H 1 0.421 0.02 . 2 . . . 1 51 VAL HG12 . 18707 1 312 . 1 1 30 30 VAL HG13 H 1 0.421 0.02 . 2 . . . 1 51 VAL HG13 . 18707 1 313 . 1 1 30 30 VAL HG21 H 1 0.242 0.02 . 2 . . . 1 51 VAL HG21 . 18707 1 314 . 1 1 30 30 VAL HG22 H 1 0.242 0.02 . 2 . . . 1 51 VAL HG22 . 18707 1 315 . 1 1 30 30 VAL HG23 H 1 0.242 0.02 . 2 . . . 1 51 VAL HG23 . 18707 1 316 . 1 1 30 30 VAL CA C 13 60.289 0.2 . 1 . . . 1 51 VAL CA . 18707 1 317 . 1 1 30 30 VAL CB C 13 33.986 0.2 . 1 . . . 1 51 VAL CB . 18707 1 318 . 1 1 30 30 VAL CG1 C 13 20.849 0.2 . 1 . . . 1 51 VAL CG1 . 18707 1 319 . 1 1 30 30 VAL CG2 C 13 18.979 0.2 . 1 . . . 1 51 VAL CG2 . 18707 1 320 . 1 1 30 30 VAL N N 15 114.289 0.2 . 1 . . . 1 51 VAL N . 18707 1 321 . 1 1 31 31 THR H H 1 8.187 0.02 . 1 . . . 1 52 THR H . 18707 1 322 . 1 1 31 31 THR HA H 1 4.459 0.02 . 1 . . . 1 52 THR HA . 18707 1 323 . 1 1 31 31 THR HB H 1 3.895 0.02 . 1 . . . 1 52 THR HB . 18707 1 324 . 1 1 31 31 THR HG21 H 1 1.029 0.02 . 1 . . . 1 52 THR HG21 . 18707 1 325 . 1 1 31 31 THR HG22 H 1 1.029 0.02 . 1 . . . 1 52 THR HG22 . 18707 1 326 . 1 1 31 31 THR HG23 H 1 1.029 0.02 . 1 . . . 1 52 THR HG23 . 18707 1 327 . 1 1 31 31 THR CA C 13 59.034 0.2 . 1 . . . 1 52 THR CA . 18707 1 328 . 1 1 31 31 THR CB C 13 69.943 0.2 . 1 . . . 1 52 THR CB . 18707 1 329 . 1 1 31 31 THR CG2 C 13 21.307 0.2 . 1 . . . 1 52 THR CG2 . 18707 1 330 . 1 1 31 31 THR N N 15 118.021 0.2 . 1 . . . 1 52 THR N . 18707 1 331 . 1 1 32 32 PRO HA H 1 4.29 0.02 . 1 . . . 1 53 PRO HA . 18707 1 332 . 1 1 32 32 PRO HB2 H 1 1.214 0.02 . 2 . . . 1 53 PRO HB2 . 18707 1 333 . 1 1 32 32 PRO HB3 H 1 2.134 0.02 . 2 . . . 1 53 PRO HB3 . 18707 1 334 . 1 1 32 32 PRO HG2 H 1 1.031 0.02 . 2 . . . 1 53 PRO HG2 . 18707 1 335 . 1 1 32 32 PRO HG3 H 1 1.031 0.02 . 2 . . . 1 53 PRO HG3 . 18707 1 336 . 1 1 32 32 PRO HD2 H 1 3.299 0.02 . 2 . . . 1 53 PRO HD2 . 18707 1 337 . 1 1 32 32 PRO HD3 H 1 3.605 0.02 . 2 . . . 1 53 PRO HD3 . 18707 1 338 . 1 1 32 32 PRO CA C 13 62.049 0.2 . 1 . . . 1 53 PRO CA . 18707 1 339 . 1 1 32 32 PRO CB C 13 28.42 0.2 . 1 . . . 1 53 PRO CB . 18707 1 340 . 1 1 32 32 PRO CD C 13 50.24 0.2 . 1 . . . 1 53 PRO CD . 18707 1 341 . 1 1 33 33 ASP H H 1 8.472 0.02 . 1 . . . 1 54 ASP H . 18707 1 342 . 1 1 33 33 ASP HA H 1 4.448 0.02 . 1 . . . 1 54 ASP HA . 18707 1 343 . 1 1 33 33 ASP HB2 H 1 2.493 0.02 . 2 . . . 1 54 ASP HB2 . 18707 1 344 . 1 1 33 33 ASP HB3 H 1 3.099 0.02 . 2 . . . 1 54 ASP HB3 . 18707 1 345 . 1 1 33 33 ASP CA C 13 53.16 0.2 . 1 . . . 1 54 ASP CA . 18707 1 346 . 1 1 33 33 ASP CB C 13 41.971 0.2 . 1 . . . 1 54 ASP CB . 18707 1 347 . 1 1 33 33 ASP N N 15 122.987 0.2 . 1 . . . 1 54 ASP N . 18707 1 348 . 1 1 34 34 ARG HA H 1 3.715 0.02 . 1 . . . 1 55 ARG HA . 18707 1 349 . 1 1 34 34 ARG HB2 H 1 1.724 0.02 . 2 . . . 1 55 ARG HB2 . 18707 1 350 . 1 1 34 34 ARG HB3 H 1 1.791 0.02 . 2 . . . 1 55 ARG HB3 . 18707 1 351 . 1 1 34 34 ARG HG2 H 1 1.528 0.02 . 2 . . . 1 55 ARG HG2 . 18707 1 352 . 1 1 34 34 ARG HG3 H 1 1.528 0.02 . 2 . . . 1 55 ARG HG3 . 18707 1 353 . 1 1 34 34 ARG HD2 H 1 3.069 0.02 . 2 . . . 1 55 ARG HD2 . 18707 1 354 . 1 1 34 34 ARG HD3 H 1 3.069 0.02 . 2 . . . 1 55 ARG HD3 . 18707 1 355 . 1 1 34 34 ARG CA C 13 59.8 0.2 . 1 . . . 1 55 ARG CA . 18707 1 356 . 1 1 34 34 ARG CB C 13 29.59 0.2 . 1 . . . 1 55 ARG CB . 18707 1 357 . 1 1 34 34 ARG CG C 13 27.02 0.2 . 1 . . . 1 55 ARG CG . 18707 1 358 . 1 1 34 34 ARG CD C 13 43.208 0.2 . 1 . . . 1 55 ARG CD . 18707 1 359 . 1 1 35 35 ARG H H 1 7.692 0.02 . 1 . . . 1 56 ARG H . 18707 1 360 . 1 1 35 35 ARG HA H 1 3.976 0.02 . 1 . . . 1 56 ARG HA . 18707 1 361 . 1 1 35 35 ARG HB2 H 1 1.855 0.02 . 2 . . . 1 56 ARG HB2 . 18707 1 362 . 1 1 35 35 ARG HB3 H 1 1.855 0.02 . 2 . . . 1 56 ARG HB3 . 18707 1 363 . 1 1 35 35 ARG HG2 H 1 1.729 0.02 . 2 . . . 1 56 ARG HG2 . 18707 1 364 . 1 1 35 35 ARG HG3 H 1 1.523 0.02 . 2 . . . 1 56 ARG HG3 . 18707 1 365 . 1 1 35 35 ARG HD2 H 1 3.134 0.02 . 2 . . . 1 56 ARG HD2 . 18707 1 366 . 1 1 35 35 ARG HD3 H 1 3.134 0.02 . 2 . . . 1 56 ARG HD3 . 18707 1 367 . 1 1 35 35 ARG CA C 13 58.824 0.2 . 1 . . . 1 56 ARG CA . 18707 1 368 . 1 1 35 35 ARG CB C 13 29.451 0.2 . 1 . . . 1 56 ARG CB . 18707 1 369 . 1 1 35 35 ARG CG C 13 27.338 0.2 . 1 . . . 1 56 ARG CG . 18707 1 370 . 1 1 35 35 ARG CD C 13 43.208 0.2 . 1 . . . 1 56 ARG CD . 18707 1 371 . 1 1 35 35 ARG N N 15 118.544 0.2 . 1 . . . 1 56 ARG N . 18707 1 372 . 1 1 35 35 ARG NH2 N 15 74.392 0.2 . 1 . . . 1 56 ARG NH2 . 18707 1 373 . 1 1 36 36 PHE H H 1 7.98 0.02 . 1 . . . 1 57 PHE H . 18707 1 374 . 1 1 36 36 PHE HA H 1 4.062 0.02 . 1 . . . 1 57 PHE HA . 18707 1 375 . 1 1 36 36 PHE HB2 H 1 2.979 0.02 . 2 . . . 1 57 PHE HB2 . 18707 1 376 . 1 1 36 36 PHE HB3 H 1 3.367 0.02 . 2 . . . 1 57 PHE HB3 . 18707 1 377 . 1 1 36 36 PHE HD1 H 1 6.851 0.02 . 3 . . . 1 57 PHE HD1 . 18707 1 378 . 1 1 36 36 PHE HD2 H 1 6.851 0.02 . 3 . . . 1 57 PHE HD2 . 18707 1 379 . 1 1 36 36 PHE HE1 H 1 7.022 0.02 . 3 . . . 1 57 PHE HE1 . 18707 1 380 . 1 1 36 36 PHE HE2 H 1 7.022 0.02 . 3 . . . 1 57 PHE HE2 . 18707 1 381 . 1 1 36 36 PHE HZ H 1 6.913 0.02 . 1 . . . 1 57 PHE HZ . 18707 1 382 . 1 1 36 36 PHE CA C 13 61.824 0.2 . 1 . . . 1 57 PHE CA . 18707 1 383 . 1 1 36 36 PHE CB C 13 39.846 0.2 . 1 . . . 1 57 PHE CB . 18707 1 384 . 1 1 36 36 PHE CD2 C 13 131.5 0.2 . 3 . . . 1 57 PHE CD2 . 18707 1 385 . 1 1 36 36 PHE CE2 C 13 131.7 0.2 . 3 . . . 1 57 PHE CE2 . 18707 1 386 . 1 1 36 36 PHE CZ C 13 129.333 0.2 . 1 . . . 1 57 PHE CZ . 18707 1 387 . 1 1 36 36 PHE N N 15 120.808 0.2 . 1 . . . 1 57 PHE N . 18707 1 388 . 1 1 37 37 ARG H H 1 8.245 0.02 . 1 . . . 1 58 ARG H . 18707 1 389 . 1 1 37 37 ARG HA H 1 2.948 0.02 . 1 . . . 1 58 ARG HA . 18707 1 390 . 1 1 37 37 ARG HB2 H 1 1 0.02 . 2 . . . 1 58 ARG HB2 . 18707 1 391 . 1 1 37 37 ARG HB3 H 1 1.415 0.02 . 2 . . . 1 58 ARG HB3 . 18707 1 392 . 1 1 37 37 ARG HG2 H 1 1.226 0.02 . 2 . . . 1 58 ARG HG2 . 18707 1 393 . 1 1 37 37 ARG HG3 H 1 0.369 0.02 . 2 . . . 1 58 ARG HG3 . 18707 1 394 . 1 1 37 37 ARG HD2 H 1 2.727 0.02 . 2 . . . 1 58 ARG HD2 . 18707 1 395 . 1 1 37 37 ARG HD3 H 1 2.473 0.02 . 2 . . . 1 58 ARG HD3 . 18707 1 396 . 1 1 37 37 ARG CA C 13 60.079 0.2 . 1 . . . 1 58 ARG CA . 18707 1 397 . 1 1 37 37 ARG CB C 13 29.521 0.2 . 1 . . . 1 58 ARG CB . 18707 1 398 . 1 1 37 37 ARG CG C 13 28.375 0.2 . 1 . . . 1 58 ARG CG . 18707 1 399 . 1 1 37 37 ARG CD C 13 43.504 0.2 . 1 . . . 1 58 ARG CD . 18707 1 400 . 1 1 37 37 ARG N N 15 114.717 0.2 . 1 . . . 1 58 ARG N . 18707 1 401 . 1 1 38 38 ALA H H 1 7.677 0.02 . 1 . . . 1 59 ALA H . 18707 1 402 . 1 1 38 38 ALA HA H 1 4.019 0.02 . 1 . . . 1 59 ALA HA . 18707 1 403 . 1 1 38 38 ALA HB1 H 1 1.372 0.02 . 1 . . . 1 59 ALA HB1 . 18707 1 404 . 1 1 38 38 ALA HB2 H 1 1.372 0.02 . 1 . . . 1 59 ALA HB2 . 18707 1 405 . 1 1 38 38 ALA HB3 H 1 1.372 0.02 . 1 . . . 1 59 ALA HB3 . 18707 1 406 . 1 1 38 38 ALA CA C 13 54.908 0.2 . 1 . . . 1 59 ALA CA . 18707 1 407 . 1 1 38 38 ALA CB C 13 17.844 0.2 . 1 . . . 1 59 ALA CB . 18707 1 408 . 1 1 38 38 ALA N N 15 118.286 0.2 . 1 . . . 1 59 ALA N . 18707 1 409 . 1 1 39 39 ARG H H 1 7.391 0.02 . 1 . . . 1 60 ARG H . 18707 1 410 . 1 1 39 39 ARG HA H 1 3.969 0.02 . 1 . . . 1 60 ARG HA . 18707 1 411 . 1 1 39 39 ARG HB2 H 1 1.726 0.02 . 2 . . . 1 60 ARG HB2 . 18707 1 412 . 1 1 39 39 ARG HB3 H 1 1.726 0.02 . 2 . . . 1 60 ARG HB3 . 18707 1 413 . 1 1 39 39 ARG HG2 H 1 1.502 0.02 . 2 . . . 1 60 ARG HG2 . 18707 1 414 . 1 1 39 39 ARG HG3 H 1 1.729 0.02 . 2 . . . 1 60 ARG HG3 . 18707 1 415 . 1 1 39 39 ARG HD2 H 1 3.161 0.02 . 2 . . . 1 60 ARG HD2 . 18707 1 416 . 1 1 39 39 ARG HD3 H 1 3.033 0.02 . 2 . . . 1 60 ARG HD3 . 18707 1 417 . 1 1 39 39 ARG CA C 13 58.963 0.2 . 1 . . . 1 60 ARG CA . 18707 1 418 . 1 1 39 39 ARG CB C 13 29.869 0.2 . 1 . . . 1 60 ARG CB . 18707 1 419 . 1 1 39 39 ARG CG C 13 27.02 0.2 . 1 . . . 1 60 ARG CG . 18707 1 420 . 1 1 39 39 ARG CD C 13 43.941 0.2 . 1 . . . 1 60 ARG CD . 18707 1 421 . 1 1 39 39 ARG N N 15 116.909 0.2 . 1 . . . 1 60 ARG N . 18707 1 422 . 1 1 40 40 VAL H H 1 7.648 0.02 . 1 . . . 1 61 VAL H . 18707 1 423 . 1 1 40 40 VAL HA H 1 3.12 0.02 . 1 . . . 1 61 VAL HA . 18707 1 424 . 1 1 40 40 VAL HB H 1 1.89 0.02 . 1 . . . 1 61 VAL HB . 18707 1 425 . 1 1 40 40 VAL HG11 H 1 0.804 0.02 . 2 . . . 1 61 VAL HG11 . 18707 1 426 . 1 1 40 40 VAL HG12 H 1 0.804 0.02 . 2 . . . 1 61 VAL HG12 . 18707 1 427 . 1 1 40 40 VAL HG13 H 1 0.804 0.02 . 2 . . . 1 61 VAL HG13 . 18707 1 428 . 1 1 40 40 VAL HG21 H 1 0.203 0.02 . 2 . . . 1 61 VAL HG21 . 18707 1 429 . 1 1 40 40 VAL HG22 H 1 0.203 0.02 . 2 . . . 1 61 VAL HG22 . 18707 1 430 . 1 1 40 40 VAL HG23 H 1 0.203 0.02 . 2 . . . 1 61 VAL HG23 . 18707 1 431 . 1 1 40 40 VAL CA C 13 66.638 0.2 . 1 . . . 1 61 VAL CA . 18707 1 432 . 1 1 40 40 VAL CB C 13 31.125 0.2 . 1 . . . 1 61 VAL CB . 18707 1 433 . 1 1 40 40 VAL CG1 C 13 22.225 0.2 . 1 . . . 1 61 VAL CG1 . 18707 1 434 . 1 1 40 40 VAL CG2 C 13 23.306 0.2 . 1 . . . 1 61 VAL CG2 . 18707 1 435 . 1 1 40 40 VAL N N 15 119.623 0.2 . 1 . . . 1 61 VAL N . 18707 1 436 . 1 1 41 41 ASP H H 1 8.613 0.02 . 1 . . . 1 62 ASP H . 18707 1 437 . 1 1 41 41 ASP HA H 1 3.99 0.02 . 1 . . . 1 62 ASP HA . 18707 1 438 . 1 1 41 41 ASP HB2 H 1 2.693 0.02 . 2 . . . 1 62 ASP HB2 . 18707 1 439 . 1 1 41 41 ASP HB3 H 1 2.901 0.02 . 2 . . . 1 62 ASP HB3 . 18707 1 440 . 1 1 41 41 ASP CA C 13 58.475 0.2 . 1 . . . 1 62 ASP CA . 18707 1 441 . 1 1 41 41 ASP CB C 13 43.056 0.2 . 1 . . . 1 62 ASP CB . 18707 1 442 . 1 1 41 41 ASP N N 15 119.195 0.2 . 1 . . . 1 62 ASP N . 18707 1 443 . 1 1 42 42 ASP H H 1 8.073 0.02 . 1 . . . 1 63 ASP H . 18707 1 444 . 1 1 42 42 ASP HA H 1 4.16 0.02 . 1 . . . 1 63 ASP HA . 18707 1 445 . 1 1 42 42 ASP HB2 H 1 2.518 0.02 . 2 . . . 1 63 ASP HB2 . 18707 1 446 . 1 1 42 42 ASP HB3 H 1 2.698 0.02 . 2 . . . 1 63 ASP HB3 . 18707 1 447 . 1 1 42 42 ASP CA C 13 57.707 0.2 . 1 . . . 1 63 ASP CA . 18707 1 448 . 1 1 42 42 ASP CB C 13 41.242 0.2 . 1 . . . 1 63 ASP CB . 18707 1 449 . 1 1 42 42 ASP N N 15 114.273 0.2 . 1 . . . 1 63 ASP N . 18707 1 450 . 1 1 43 43 ALA H H 1 7.623 0.02 . 1 . . . 1 64 ALA H . 18707 1 451 . 1 1 43 43 ALA HA H 1 4.049 0.02 . 1 . . . 1 64 ALA HA . 18707 1 452 . 1 1 43 43 ALA HB1 H 1 1.274 0.02 . 1 . . . 1 64 ALA HB1 . 18707 1 453 . 1 1 43 43 ALA HB2 H 1 1.274 0.02 . 1 . . . 1 64 ALA HB2 . 18707 1 454 . 1 1 43 43 ALA HB3 H 1 1.274 0.02 . 1 . . . 1 64 ALA HB3 . 18707 1 455 . 1 1 43 43 ALA CA C 13 55.056 0.2 . 1 . . . 1 64 ALA CA . 18707 1 456 . 1 1 43 43 ALA CB C 13 18.706 0.2 . 1 . . . 1 64 ALA CB . 18707 1 457 . 1 1 43 43 ALA N N 15 119.771 0.2 . 1 . . . 1 64 ALA N . 18707 1 458 . 1 1 44 44 ILE H H 1 8.366 0.02 . 1 . . . 1 65 ILE H . 18707 1 459 . 1 1 44 44 ILE HA H 1 3.397 0.02 . 1 . . . 1 65 ILE HA . 18707 1 460 . 1 1 44 44 ILE HB H 1 1.795 0.02 . 1 . . . 1 65 ILE HB . 18707 1 461 . 1 1 44 44 ILE HG12 H 1 1.947 0.02 . 2 . . . 1 65 ILE HG12 . 18707 1 462 . 1 1 44 44 ILE HG13 H 1 0.601 0.02 . 2 . . . 1 65 ILE HG13 . 18707 1 463 . 1 1 44 44 ILE HG21 H 1 0.591 0.02 . 1 . . . 1 65 ILE HG21 . 18707 1 464 . 1 1 44 44 ILE HG22 H 1 0.591 0.02 . 1 . . . 1 65 ILE HG22 . 18707 1 465 . 1 1 44 44 ILE HG23 H 1 0.591 0.02 . 1 . . . 1 65 ILE HG23 . 18707 1 466 . 1 1 44 44 ILE HD11 H 1 0.485 0.02 . 1 . . . 1 65 ILE HD11 . 18707 1 467 . 1 1 44 44 ILE HD12 H 1 0.485 0.02 . 1 . . . 1 65 ILE HD12 . 18707 1 468 . 1 1 44 44 ILE HD13 H 1 0.485 0.02 . 1 . . . 1 65 ILE HD13 . 18707 1 469 . 1 1 44 44 ILE CA C 13 65.801 0.2 . 1 . . . 1 65 ILE CA . 18707 1 470 . 1 1 44 44 ILE CB C 13 37.753 0.2 . 1 . . . 1 65 ILE CB . 18707 1 471 . 1 1 44 44 ILE CG1 C 13 29.168 0.2 . 1 . . . 1 65 ILE CG1 . 18707 1 472 . 1 1 44 44 ILE CG2 C 13 17.791 0.2 . 1 . . . 1 65 ILE CG2 . 18707 1 473 . 1 1 44 44 ILE CD1 C 13 14.421 0.2 . 1 . . . 1 65 ILE CD1 . 18707 1 474 . 1 1 44 44 ILE N N 15 116.385 0.2 . 1 . . . 1 65 ILE N . 18707 1 475 . 1 1 45 45 ARG H H 1 8.486 0.02 . 1 . . . 1 66 ARG H . 18707 1 476 . 1 1 45 45 ARG HA H 1 3.63 0.02 . 1 . . . 1 66 ARG HA . 18707 1 477 . 1 1 45 45 ARG HB2 H 1 1.821 0.02 . 2 . . . 1 66 ARG HB2 . 18707 1 478 . 1 1 45 45 ARG HB3 H 1 1.533 0.02 . 2 . . . 1 66 ARG HB3 . 18707 1 479 . 1 1 45 45 ARG HG2 H 1 1.718 0.02 . 2 . . . 1 66 ARG HG2 . 18707 1 480 . 1 1 45 45 ARG HG3 H 1 1.191 0.02 . 2 . . . 1 66 ARG HG3 . 18707 1 481 . 1 1 45 45 ARG HD2 H 1 2.904 0.02 . 2 . . . 1 66 ARG HD2 . 18707 1 482 . 1 1 45 45 ARG HD3 H 1 3.118 0.02 . 2 . . . 1 66 ARG HD3 . 18707 1 483 . 1 1 45 45 ARG CA C 13 60.638 0.2 . 1 . . . 1 66 ARG CA . 18707 1 484 . 1 1 45 45 ARG CB C 13 29.521 0.2 . 1 . . . 1 66 ARG CB . 18707 1 485 . 1 1 45 45 ARG CG C 13 30.275 0.2 . 1 . . . 1 66 ARG CG . 18707 1 486 . 1 1 45 45 ARG CD C 13 42.842 0.2 . 1 . . . 1 66 ARG CD . 18707 1 487 . 1 1 45 45 ARG N N 15 116.201 0.2 . 1 . . . 1 66 ARG N . 18707 1 488 . 1 1 46 46 GLU H H 1 8.551 0.02 . 1 . . . 1 67 GLU H . 18707 1 489 . 1 1 46 46 GLU HA H 1 3.855 0.02 . 1 . . . 1 67 GLU HA . 18707 1 490 . 1 1 46 46 GLU HB2 H 1 1.88 0.02 . 2 . . . 1 67 GLU HB2 . 18707 1 491 . 1 1 46 46 GLU HB3 H 1 2.044 0.02 . 2 . . . 1 67 GLU HB3 . 18707 1 492 . 1 1 46 46 GLU HG2 H 1 2.108 0.02 . 2 . . . 1 67 GLU HG2 . 18707 1 493 . 1 1 46 46 GLU HG3 H 1 2.235 0.02 . 2 . . . 1 67 GLU HG3 . 18707 1 494 . 1 1 46 46 GLU CA C 13 59.382 0.2 . 1 . . . 1 67 GLU CA . 18707 1 495 . 1 1 46 46 GLU CB C 13 29.242 0.2 . 1 . . . 1 67 GLU CB . 18707 1 496 . 1 1 46 46 GLU CG C 13 35.535 0.2 . 1 . . . 1 67 GLU CG . 18707 1 497 . 1 1 46 46 GLU N N 15 119.373 0.2 . 1 . . . 1 67 GLU N . 18707 1 498 . 1 1 47 47 GLY H H 1 8.013 0.02 . 1 . . . 1 68 GLY H . 18707 1 499 . 1 1 47 47 GLY HA2 H 1 3.837 0.02 . 2 . . . 1 68 GLY HA2 . 18707 1 500 . 1 1 47 47 GLY HA3 H 1 3.229 0.02 . 2 . . . 1 68 GLY HA3 . 18707 1 501 . 1 1 47 47 GLY CA C 13 46.963 0.2 . 1 . . . 1 68 GLY CA . 18707 1 502 . 1 1 47 47 GLY N N 15 104.742 0.2 . 1 . . . 1 68 GLY N . 18707 1 503 . 1 1 48 48 LEU H H 1 7.885 0.02 . 1 . . . 1 69 LEU H . 18707 1 504 . 1 1 48 48 LEU HA H 1 4.092 0.02 . 1 . . . 1 69 LEU HA . 18707 1 505 . 1 1 48 48 LEU HB2 H 1 1.66 0.02 . 2 . . . 1 69 LEU HB2 . 18707 1 506 . 1 1 48 48 LEU HB3 H 1 1.753 0.02 . 2 . . . 1 69 LEU HB3 . 18707 1 507 . 1 1 48 48 LEU HG H 1 1.565 0.02 . 1 . . . 1 69 LEU HG . 18707 1 508 . 1 1 48 48 LEU HD11 H 1 0.461 0.02 . 2 . . . 1 69 LEU HD11 . 18707 1 509 . 1 1 48 48 LEU HD12 H 1 0.461 0.02 . 2 . . . 1 69 LEU HD12 . 18707 1 510 . 1 1 48 48 LEU HD13 H 1 0.461 0.02 . 2 . . . 1 69 LEU HD13 . 18707 1 511 . 1 1 48 48 LEU HD21 H 1 0.47 0.02 . 2 . . . 1 69 LEU HD21 . 18707 1 512 . 1 1 48 48 LEU HD22 H 1 0.47 0.02 . 2 . . . 1 69 LEU HD22 . 18707 1 513 . 1 1 48 48 LEU HD23 H 1 0.47 0.02 . 2 . . . 1 69 LEU HD23 . 18707 1 514 . 1 1 48 48 LEU CA C 13 57.216 0.2 . 1 . . . 1 69 LEU CA . 18707 1 515 . 1 1 48 48 LEU CB C 13 40.852 0.2 . 1 . . . 1 69 LEU CB . 18707 1 516 . 1 1 48 48 LEU CG C 13 27.02 0.2 . 1 . . . 1 69 LEU CG . 18707 1 517 . 1 1 48 48 LEU CD1 C 13 26.141 0.2 . 1 . . . 1 69 LEU CD1 . 18707 1 518 . 1 1 48 48 LEU CD2 C 13 23.52 0.2 . 1 . . . 1 69 LEU CD2 . 18707 1 519 . 1 1 48 48 LEU N N 15 117.268 0.2 . 1 . . . 1 69 LEU N . 18707 1 520 . 1 1 49 49 LYS H H 1 8.386 0.02 . 1 . . . 1 70 LYS H . 18707 1 521 . 1 1 49 49 LYS HA H 1 3.296 0.02 . 1 . . . 1 70 LYS HA . 18707 1 522 . 1 1 49 49 LYS HB2 H 1 1.564 0.02 . 2 . . . 1 70 LYS HB2 . 18707 1 523 . 1 1 49 49 LYS HB3 H 1 1.657 0.02 . 2 . . . 1 70 LYS HB3 . 18707 1 524 . 1 1 49 49 LYS HG2 H 1 1.03 0.02 . 2 . . . 1 70 LYS HG2 . 18707 1 525 . 1 1 49 49 LYS HG3 H 1 1.134 0.02 . 2 . . . 1 70 LYS HG3 . 18707 1 526 . 1 1 49 49 LYS HD2 H 1 1.503 0.02 . 2 . . . 1 70 LYS HD2 . 18707 1 527 . 1 1 49 49 LYS HD3 H 1 1.503 0.02 . 2 . . . 1 70 LYS HD3 . 18707 1 528 . 1 1 49 49 LYS HE2 H 1 2.733 0.02 . 2 . . . 1 70 LYS HE2 . 18707 1 529 . 1 1 49 49 LYS HE3 H 1 2.733 0.02 . 2 . . . 1 70 LYS HE3 . 18707 1 530 . 1 1 49 49 LYS CA C 13 59.94 0.2 . 1 . . . 1 70 LYS CA . 18707 1 531 . 1 1 49 49 LYS CB C 13 31.753 0.2 . 1 . . . 1 70 LYS CB . 18707 1 532 . 1 1 49 49 LYS CG C 13 24.823 0.2 . 1 . . . 1 70 LYS CG . 18707 1 533 . 1 1 49 49 LYS CD C 13 29.584 0.2 . 1 . . . 1 70 LYS CD . 18707 1 534 . 1 1 49 49 LYS CE C 13 41.89 0.2 . 1 . . . 1 70 LYS CE . 18707 1 535 . 1 1 49 49 LYS N N 15 121.607 0.2 . 1 . . . 1 70 LYS N . 18707 1 536 . 1 1 50 50 ALA H H 1 6.983 0.02 . 1 . . . 1 71 ALA H . 18707 1 537 . 1 1 50 50 ALA HA H 1 4.02 0.02 . 1 . . . 1 71 ALA HA . 18707 1 538 . 1 1 50 50 ALA HB1 H 1 1.365 0.02 . 1 . . . 1 71 ALA HB1 . 18707 1 539 . 1 1 50 50 ALA HB2 H 1 1.365 0.02 . 1 . . . 1 71 ALA HB2 . 18707 1 540 . 1 1 50 50 ALA HB3 H 1 1.365 0.02 . 1 . . . 1 71 ALA HB3 . 18707 1 541 . 1 1 50 50 ALA CA C 13 54.289 0.2 . 1 . . . 1 71 ALA CA . 18707 1 542 . 1 1 50 50 ALA CB C 13 18.427 0.2 . 1 . . . 1 71 ALA CB . 18707 1 543 . 1 1 50 50 ALA N N 15 117.804 0.2 . 1 . . . 1 71 ALA N . 18707 1 544 . 1 1 51 51 LEU H H 1 7.043 0.02 . 1 . . . 1 72 LEU H . 18707 1 545 . 1 1 51 51 LEU HA H 1 4.356 0.02 . 1 . . . 1 72 LEU HA . 18707 1 546 . 1 1 51 51 LEU HB2 H 1 1.799 0.02 . 2 . . . 1 72 LEU HB2 . 18707 1 547 . 1 1 51 51 LEU HB3 H 1 1.877 0.02 . 2 . . . 1 72 LEU HB3 . 18707 1 548 . 1 1 51 51 LEU HG H 1 1.592 0.02 . 1 . . . 1 72 LEU HG . 18707 1 549 . 1 1 51 51 LEU HD11 H 1 0.793 0.02 . 2 . . . 1 72 LEU HD11 . 18707 1 550 . 1 1 51 51 LEU HD12 H 1 0.793 0.02 . 2 . . . 1 72 LEU HD12 . 18707 1 551 . 1 1 51 51 LEU HD13 H 1 0.793 0.02 . 2 . . . 1 72 LEU HD13 . 18707 1 552 . 1 1 51 51 LEU HD21 H 1 0.556 0.02 . 2 . . . 1 72 LEU HD21 . 18707 1 553 . 1 1 51 51 LEU HD22 H 1 0.556 0.02 . 2 . . . 1 72 LEU HD22 . 18707 1 554 . 1 1 51 51 LEU HD23 H 1 0.556 0.02 . 2 . . . 1 72 LEU HD23 . 18707 1 555 . 1 1 51 51 LEU CA C 13 53.87 0.2 . 1 . . . 1 72 LEU CA . 18707 1 556 . 1 1 51 51 LEU CB C 13 43.126 0.2 . 1 . . . 1 72 LEU CB . 18707 1 557 . 1 1 51 51 LEU CG C 13 27.109 0.2 . 1 . . . 1 72 LEU CG . 18707 1 558 . 1 1 51 51 LEU CD1 C 13 22.405 0.2 . 1 . . . 1 72 LEU CD1 . 18707 1 559 . 1 1 51 51 LEU CD2 C 13 21.6 0.2 . 1 . . . 1 72 LEU CD2 . 18707 1 560 . 1 1 51 51 LEU N N 15 113.601 0.2 . 1 . . . 1 72 LEU N . 18707 1 561 . 1 1 52 52 GLY H H 1 7.435 0.02 . 1 . . . 1 73 GLY H . 18707 1 562 . 1 1 52 52 GLY HA2 H 1 3.939 0.02 . 2 . . . 1 73 GLY HA2 . 18707 1 563 . 1 1 52 52 GLY HA3 H 1 3.19 0.02 . 2 . . . 1 73 GLY HA3 . 18707 1 564 . 1 1 52 52 GLY CA C 13 44.8 0.2 . 1 . . . 1 73 GLY CA . 18707 1 565 . 1 1 52 52 GLY N N 15 103.009 0.2 . 1 . . . 1 73 GLY N . 18707 1 566 . 1 1 53 53 TYR H H 1 7.369 0.02 . 1 . . . 1 74 TYR H . 18707 1 567 . 1 1 53 53 TYR HA H 1 4.522 0.02 . 1 . . . 1 74 TYR HA . 18707 1 568 . 1 1 53 53 TYR HB2 H 1 2.488 0.02 . 2 . . . 1 74 TYR HB2 . 18707 1 569 . 1 1 53 53 TYR HB3 H 1 2.783 0.02 . 2 . . . 1 74 TYR HB3 . 18707 1 570 . 1 1 53 53 TYR HD1 H 1 6.531 0.02 . 3 . . . 1 74 TYR HD1 . 18707 1 571 . 1 1 53 53 TYR HD2 H 1 6.531 0.02 . 3 . . . 1 74 TYR HD2 . 18707 1 572 . 1 1 53 53 TYR HE1 H 1 6.495 0.02 . 3 . . . 1 74 TYR HE1 . 18707 1 573 . 1 1 53 53 TYR HE2 H 1 6.495 0.02 . 3 . . . 1 74 TYR HE2 . 18707 1 574 . 1 1 53 53 TYR CA C 13 57.498 0.2 . 1 . . . 1 74 TYR CA . 18707 1 575 . 1 1 53 53 TYR CB C 13 37.195 0.2 . 1 . . . 1 74 TYR CB . 18707 1 576 . 1 1 53 53 TYR CD1 C 13 133.831 0.2 . 3 . . . 1 74 TYR CD1 . 18707 1 577 . 1 1 53 53 TYR CE1 C 13 118.228 0.2 . 3 . . . 1 74 TYR CE1 . 18707 1 578 . 1 1 53 53 TYR N N 15 119.206 0.2 . 1 . . . 1 74 TYR N . 18707 1 579 . 1 1 54 54 TYR H H 1 8.884 0.02 . 1 . . . 1 75 TYR H . 18707 1 580 . 1 1 54 54 TYR HA H 1 4.17 0.02 . 1 . . . 1 75 TYR HA . 18707 1 581 . 1 1 54 54 TYR HB2 H 1 2.765 0.02 . 2 . . . 1 75 TYR HB2 . 18707 1 582 . 1 1 54 54 TYR HB3 H 1 3.089 0.02 . 2 . . . 1 75 TYR HB3 . 18707 1 583 . 1 1 54 54 TYR HD1 H 1 6.936 0.02 . 3 . . . 1 75 TYR HD1 . 18707 1 584 . 1 1 54 54 TYR HD2 H 1 6.936 0.02 . 3 . . . 1 75 TYR HD2 . 18707 1 585 . 1 1 54 54 TYR HE1 H 1 6.678 0.02 . 3 . . . 1 75 TYR HE1 . 18707 1 586 . 1 1 54 54 TYR HE2 H 1 6.678 0.02 . 3 . . . 1 75 TYR HE2 . 18707 1 587 . 1 1 54 54 TYR CA C 13 58.265 0.2 . 1 . . . 1 75 TYR CA . 18707 1 588 . 1 1 54 54 TYR CB C 13 38.939 0.2 . 1 . . . 1 75 TYR CB . 18707 1 589 . 1 1 54 54 TYR CD1 C 13 132.477 0.2 . 3 . . . 1 75 TYR CD1 . 18707 1 590 . 1 1 54 54 TYR CE1 C 13 118.411 0.2 . 3 . . . 1 75 TYR CE1 . 18707 1 591 . 1 1 54 54 TYR N N 15 120.134 0.2 . 1 . . . 1 75 TYR N . 18707 1 592 . 1 1 55 55 GLN H H 1 9.792 0.02 . 1 . . . 1 76 GLN H . 18707 1 593 . 1 1 55 55 GLN HA H 1 4.856 0.02 . 1 . . . 1 76 GLN HA . 18707 1 594 . 1 1 55 55 GLN HB2 H 1 1.827 0.02 . 2 . . . 1 76 GLN HB2 . 18707 1 595 . 1 1 55 55 GLN HB3 H 1 2.138 0.02 . 2 . . . 1 76 GLN HB3 . 18707 1 596 . 1 1 55 55 GLN HG2 H 1 2.204 0.02 . 2 . . . 1 76 GLN HG2 . 18707 1 597 . 1 1 55 55 GLN HG3 H 1 2.204 0.02 . 2 . . . 1 76 GLN HG3 . 18707 1 598 . 1 1 55 55 GLN CA C 13 53.602 0.2 . 1 . . . 1 76 GLN CA . 18707 1 599 . 1 1 55 55 GLN CB C 13 29.782 0.2 . 1 . . . 1 76 GLN CB . 18707 1 600 . 1 1 55 55 GLN CG C 13 33.759 0.2 . 1 . . . 1 76 GLN CG . 18707 1 601 . 1 1 55 55 GLN N N 15 120.184 0.2 . 1 . . . 1 76 GLN N . 18707 1 602 . 1 1 56 56 PRO HA H 1 4.598 0.02 . 1 . . . 1 77 PRO HA . 18707 1 603 . 1 1 56 56 PRO HB2 H 1 1.302 0.02 . 2 . . . 1 77 PRO HB2 . 18707 1 604 . 1 1 56 56 PRO HB3 H 1 1.881 0.02 . 2 . . . 1 77 PRO HB3 . 18707 1 605 . 1 1 56 56 PRO HG2 H 1 0.459 0.02 . 2 . . . 1 77 PRO HG2 . 18707 1 606 . 1 1 56 56 PRO HG3 H 1 0.459 0.02 . 2 . . . 1 77 PRO HG3 . 18707 1 607 . 1 1 56 56 PRO HD2 H 1 3.463 0.02 . 2 . . . 1 77 PRO HD2 . 18707 1 608 . 1 1 56 56 PRO HD3 H 1 3.749 0.02 . 2 . . . 1 77 PRO HD3 . 18707 1 609 . 1 1 56 56 PRO CA C 13 63.707 0.2 . 1 . . . 1 77 PRO CA . 18707 1 610 . 1 1 56 56 PRO CB C 13 33.777 0.2 . 1 . . . 1 77 PRO CB . 18707 1 611 . 1 1 56 56 PRO CG C 13 26.361 0.2 . 1 . . . 1 77 PRO CG . 18707 1 612 . 1 1 56 56 PRO CD C 13 50.826 0.2 . 1 . . . 1 77 PRO CD . 18707 1 613 . 1 1 57 57 THR H H 1 8.423 0.02 . 1 . . . 1 78 THR H . 18707 1 614 . 1 1 57 57 THR HA H 1 4.39 0.02 . 1 . . . 1 78 THR HA . 18707 1 615 . 1 1 57 57 THR HB H 1 3.799 0.02 . 1 . . . 1 78 THR HB . 18707 1 616 . 1 1 57 57 THR HG21 H 1 1.032 0.02 . 1 . . . 1 78 THR HG21 . 18707 1 617 . 1 1 57 57 THR HG22 H 1 1.032 0.02 . 1 . . . 1 78 THR HG22 . 18707 1 618 . 1 1 57 57 THR HG23 H 1 1.032 0.02 . 1 . . . 1 78 THR HG23 . 18707 1 619 . 1 1 57 57 THR CA C 13 61.963 0.2 . 1 . . . 1 78 THR CA . 18707 1 620 . 1 1 57 57 THR CB C 13 70.824 0.2 . 1 . . . 1 78 THR CB . 18707 1 621 . 1 1 57 57 THR CG2 C 13 21.38 0.2 . 1 . . . 1 78 THR CG2 . 18707 1 622 . 1 1 57 57 THR N N 15 112.352 0.2 . 1 . . . 1 78 THR N . 18707 1 623 . 1 1 58 58 ILE H H 1 8.584 0.02 . 1 . . . 1 79 ILE H . 18707 1 624 . 1 1 58 58 ILE HA H 1 4.324 0.02 . 1 . . . 1 79 ILE HA . 18707 1 625 . 1 1 58 58 ILE HB H 1 1.418 0.02 . 1 . . . 1 79 ILE HB . 18707 1 626 . 1 1 58 58 ILE HG12 H 1 0.621 0.02 . 2 . . . 1 79 ILE HG12 . 18707 1 627 . 1 1 58 58 ILE HG13 H 1 1.128 0.02 . 2 . . . 1 79 ILE HG13 . 18707 1 628 . 1 1 58 58 ILE HG21 H 1 0.069 0.02 . 1 . . . 1 79 ILE HG21 . 18707 1 629 . 1 1 58 58 ILE HG22 H 1 0.069 0.02 . 1 . . . 1 79 ILE HG22 . 18707 1 630 . 1 1 58 58 ILE HG23 H 1 0.069 0.02 . 1 . . . 1 79 ILE HG23 . 18707 1 631 . 1 1 58 58 ILE HD11 H 1 0.62 0.02 . 1 . . . 1 79 ILE HD11 . 18707 1 632 . 1 1 58 58 ILE HD12 H 1 0.62 0.02 . 1 . . . 1 79 ILE HD12 . 18707 1 633 . 1 1 58 58 ILE HD13 H 1 0.62 0.02 . 1 . . . 1 79 ILE HD13 . 18707 1 634 . 1 1 58 58 ILE CA C 13 60.986 0.2 . 1 . . . 1 79 ILE CA . 18707 1 635 . 1 1 58 58 ILE CB C 13 40.335 0.2 . 1 . . . 1 79 ILE CB . 18707 1 636 . 1 1 58 58 ILE CG1 C 13 29.296 0.2 . 1 . . . 1 79 ILE CG1 . 18707 1 637 . 1 1 58 58 ILE CG2 C 13 18.581 0.2 . 1 . . . 1 79 ILE CG2 . 18707 1 638 . 1 1 58 58 ILE CD1 C 13 15.684 0.2 . 1 . . . 1 79 ILE CD1 . 18707 1 639 . 1 1 58 58 ILE N N 15 124.666 0.2 . 1 . . . 1 79 ILE N . 18707 1 640 . 1 1 59 59 GLU H H 1 8.375 0.02 . 1 . . . 1 80 GLU H . 18707 1 641 . 1 1 59 59 GLU HA H 1 4.485 0.02 . 1 . . . 1 80 GLU HA . 18707 1 642 . 1 1 59 59 GLU HB2 H 1 1.647 0.02 . 2 . . . 1 80 GLU HB2 . 18707 1 643 . 1 1 59 59 GLU HB3 H 1 1.847 0.02 . 2 . . . 1 80 GLU HB3 . 18707 1 644 . 1 1 59 59 GLU HG2 H 1 1.957 0.02 . 2 . . . 1 80 GLU HG2 . 18707 1 645 . 1 1 59 59 GLU HG3 H 1 1.957 0.02 . 2 . . . 1 80 GLU HG3 . 18707 1 646 . 1 1 59 59 GLU CA C 13 53.999 0.2 . 1 . . . 1 80 GLU CA . 18707 1 647 . 1 1 59 59 GLU CB C 13 33.089 0.2 . 1 . . . 1 80 GLU CB . 18707 1 648 . 1 1 59 59 GLU CG C 13 36.25 0.2 . 1 . . . 1 80 GLU CG . 18707 1 649 . 1 1 59 59 GLU N N 15 125.82 0.2 . 1 . . . 1 80 GLU N . 18707 1 650 . 1 1 60 60 PHE H H 1 8.916 0.02 . 1 . . . 1 81 PHE H . 18707 1 651 . 1 1 60 60 PHE HA H 1 5.522 0.02 . 1 . . . 1 81 PHE HA . 18707 1 652 . 1 1 60 60 PHE HB2 H 1 2.722 0.02 . 2 . . . 1 81 PHE HB2 . 18707 1 653 . 1 1 60 60 PHE HB3 H 1 2.778 0.02 . 2 . . . 1 81 PHE HB3 . 18707 1 654 . 1 1 60 60 PHE HD1 H 1 7.065 0.02 . 3 . . . 1 81 PHE HD1 . 18707 1 655 . 1 1 60 60 PHE HD2 H 1 7.065 0.02 . 3 . . . 1 81 PHE HD2 . 18707 1 656 . 1 1 60 60 PHE HE1 H 1 7.036 0.02 . 3 . . . 1 81 PHE HE1 . 18707 1 657 . 1 1 60 60 PHE HE2 H 1 7.036 0.02 . 3 . . . 1 81 PHE HE2 . 18707 1 658 . 1 1 60 60 PHE HZ H 1 6.869 0.02 . 1 . . . 1 81 PHE HZ . 18707 1 659 . 1 1 60 60 PHE CA C 13 57.359 0.2 . 1 . . . 1 81 PHE CA . 18707 1 660 . 1 1 60 60 PHE CB C 13 42.149 0.2 . 1 . . . 1 81 PHE CB . 18707 1 661 . 1 1 60 60 PHE CD2 C 13 131.665 0.2 . 3 . . . 1 81 PHE CD2 . 18707 1 662 . 1 1 60 60 PHE CE2 C 13 131.044 0.2 . 3 . . . 1 81 PHE CE2 . 18707 1 663 . 1 1 60 60 PHE CZ C 13 129.511 0.2 . 1 . . . 1 81 PHE CZ . 18707 1 664 . 1 1 60 60 PHE N N 15 120.215 0.2 . 1 . . . 1 81 PHE N . 18707 1 665 . 1 1 61 61 ASP H H 1 9.11 0.02 . 1 . . . 1 82 ASP H . 18707 1 666 . 1 1 61 61 ASP HA H 1 4.641 0.02 . 1 . . . 1 82 ASP HA . 18707 1 667 . 1 1 61 61 ASP HB2 H 1 2.375 0.02 . 2 . . . 1 82 ASP HB2 . 18707 1 668 . 1 1 61 61 ASP HB3 H 1 2.607 0.02 . 2 . . . 1 82 ASP HB3 . 18707 1 669 . 1 1 61 61 ASP CA C 13 53.521 0.2 . 1 . . . 1 82 ASP CA . 18707 1 670 . 1 1 61 61 ASP CB C 13 43.335 0.2 . 1 . . . 1 82 ASP CB . 18707 1 671 . 1 1 61 61 ASP N N 15 120.518 0.2 . 1 . . . 1 82 ASP N . 18707 1 672 . 1 1 62 62 LEU H H 1 8.399 0.02 . 1 . . . 1 83 LEU H . 18707 1 673 . 1 1 62 62 LEU HA H 1 4.71 0.02 . 1 . . . 1 83 LEU HA . 18707 1 674 . 1 1 62 62 LEU HB2 H 1 1.053 0.02 . 2 . . . 1 83 LEU HB2 . 18707 1 675 . 1 1 62 62 LEU HB3 H 1 1.848 0.02 . 2 . . . 1 83 LEU HB3 . 18707 1 676 . 1 1 62 62 LEU HG H 1 1.328 0.02 . 1 . . . 1 83 LEU HG . 18707 1 677 . 1 1 62 62 LEU HD11 H 1 0.721 0.02 . 2 . . . 1 83 LEU HD11 . 18707 1 678 . 1 1 62 62 LEU HD12 H 1 0.721 0.02 . 2 . . . 1 83 LEU HD12 . 18707 1 679 . 1 1 62 62 LEU HD13 H 1 0.721 0.02 . 2 . . . 1 83 LEU HD13 . 18707 1 680 . 1 1 62 62 LEU HD21 H 1 0.753 0.02 . 2 . . . 1 83 LEU HD21 . 18707 1 681 . 1 1 62 62 LEU HD22 H 1 0.753 0.02 . 2 . . . 1 83 LEU HD22 . 18707 1 682 . 1 1 62 62 LEU HD23 H 1 0.753 0.02 . 2 . . . 1 83 LEU HD23 . 18707 1 683 . 1 1 62 62 LEU CA C 13 54.079 0.2 . 1 . . . 1 83 LEU CA . 18707 1 684 . 1 1 62 62 LEU CB C 13 42.092 0.2 . 1 . . . 1 83 LEU CB . 18707 1 685 . 1 1 62 62 LEU CG C 13 27.167 0.2 . 1 . . . 1 83 LEU CG . 18707 1 686 . 1 1 62 62 LEU CD1 C 13 23.284 0.2 . 1 . . . 1 83 LEU CD1 . 18707 1 687 . 1 1 62 62 LEU CD2 C 13 26.25 0.2 . 1 . . . 1 83 LEU CD2 . 18707 1 688 . 1 1 62 62 LEU N N 15 126.131 0.2 . 1 . . . 1 83 LEU N . 18707 1 689 . 1 1 63 63 ARG H H 1 8.719 0.02 . 1 . . . 1 84 ARG H . 18707 1 690 . 1 1 63 63 ARG HA H 1 4.404 0.02 . 1 . . . 1 84 ARG HA . 18707 1 691 . 1 1 63 63 ARG HB2 H 1 1.579 0.02 . 2 . . . 1 84 ARG HB2 . 18707 1 692 . 1 1 63 63 ARG HB3 H 1 1.758 0.02 . 2 . . . 1 84 ARG HB3 . 18707 1 693 . 1 1 63 63 ARG HG2 H 1 2.174 0.02 . 2 . . . 1 84 ARG HG2 . 18707 1 694 . 1 1 63 63 ARG HG3 H 1 2.174 0.02 . 2 . . . 1 84 ARG HG3 . 18707 1 695 . 1 1 63 63 ARG HD2 H 1 3.003 0.02 . 2 . . . 1 84 ARG HD2 . 18707 1 696 . 1 1 63 63 ARG HD3 H 1 3.031 0.02 . 2 . . . 1 84 ARG HD3 . 18707 1 697 . 1 1 63 63 ARG CA C 13 53.055 0.2 . 1 . . . 1 84 ARG CA . 18707 1 698 . 1 1 63 63 ARG CB C 13 27.379 0.2 . 1 . . . 1 84 ARG CB . 18707 1 699 . 1 1 63 63 ARG CG C 13 27.386 0.2 . 1 . . . 1 84 ARG CG . 18707 1 700 . 1 1 63 63 ARG CD C 13 41.5 0.2 . 1 . . . 1 84 ARG CD . 18707 1 701 . 1 1 63 63 ARG N N 15 127.832 0.2 . 1 . . . 1 84 ARG N . 18707 1 702 . 1 1 64 64 PRO HA H 1 4.514 0.02 . 1 . . . 1 85 PRO HA . 18707 1 703 . 1 1 64 64 PRO HB2 H 1 2.265 0.02 . 2 . . . 1 85 PRO HB2 . 18707 1 704 . 1 1 64 64 PRO HB3 H 1 1.613 0.02 . 2 . . . 1 85 PRO HB3 . 18707 1 705 . 1 1 64 64 PRO HG2 H 1 2.024 0.02 . 2 . . . 1 85 PRO HG2 . 18707 1 706 . 1 1 64 64 PRO HG3 H 1 1.846 0.02 . 2 . . . 1 85 PRO HG3 . 18707 1 707 . 1 1 64 64 PRO HD2 H 1 3.502 0.02 . 2 . . . 1 85 PRO HD2 . 18707 1 708 . 1 1 64 64 PRO HD3 H 1 3.627 0.02 . 2 . . . 1 85 PRO HD3 . 18707 1 709 . 1 1 64 64 PRO CA C 13 61.521 0.2 . 1 . . . 1 85 PRO CA . 18707 1 710 . 1 1 64 64 PRO CB C 13 30.243 0.2 . 1 . . . 1 85 PRO CB . 18707 1 711 . 1 1 64 64 PRO CG C 13 27.473 0.2 . 1 . . . 1 85 PRO CG . 18707 1 712 . 1 1 64 64 PRO CD C 13 50.226 0.2 . 1 . . . 1 85 PRO CD . 18707 1 713 . 1 1 65 65 PRO HA H 1 4.521 0.02 . 1 . . . 1 86 PRO HA . 18707 1 714 . 1 1 65 65 PRO HB2 H 1 2.265 0.02 . 2 . . . 1 86 PRO HB2 . 18707 1 715 . 1 1 65 65 PRO HB3 H 1 1.618 0.02 . 2 . . . 1 86 PRO HB3 . 18707 1 716 . 1 1 65 65 PRO HG2 H 1 1.93 0.02 . 2 . . . 1 86 PRO HG2 . 18707 1 717 . 1 1 65 65 PRO HG3 H 1 1.965 0.02 . 2 . . . 1 86 PRO HG3 . 18707 1 718 . 1 1 65 65 PRO HD2 H 1 3.42 0.02 . 2 . . . 1 86 PRO HD2 . 18707 1 719 . 1 1 65 65 PRO HD3 H 1 3.698 0.02 . 2 . . . 1 86 PRO HD3 . 18707 1 720 . 1 1 65 65 PRO CA C 13 61.448 0.2 . 1 . . . 1 86 PRO CA . 18707 1 721 . 1 1 65 65 PRO CB C 13 30.316 0.2 . 1 . . . 1 86 PRO CB . 18707 1 722 . 1 1 65 65 PRO CG C 13 27.899 0.2 . 1 . . . 1 86 PRO CG . 18707 1 723 . 1 1 65 65 PRO CD C 13 49.8 0.2 . 1 . . . 1 86 PRO CD . 18707 1 724 . 1 1 66 66 PRO HA H 1 4.566 0.02 . 1 . . . 1 87 PRO HA . 18707 1 725 . 1 1 66 66 PRO HB2 H 1 1.971 0.02 . 2 . . . 1 87 PRO HB2 . 18707 1 726 . 1 1 66 66 PRO HB3 H 1 2.024 0.02 . 2 . . . 1 87 PRO HB3 . 18707 1 727 . 1 1 66 66 PRO HG2 H 1 1.674 0.02 . 2 . . . 1 87 PRO HG2 . 18707 1 728 . 1 1 66 66 PRO HG3 H 1 1.268 0.02 . 2 . . . 1 87 PRO HG3 . 18707 1 729 . 1 1 66 66 PRO HD2 H 1 3.32 0.02 . 2 . . . 1 87 PRO HD2 . 18707 1 730 . 1 1 66 66 PRO HD3 H 1 3.718 0.02 . 2 . . . 1 87 PRO HD3 . 18707 1 731 . 1 1 66 66 PRO CA C 13 61.727 0.2 . 1 . . . 1 87 PRO CA . 18707 1 732 . 1 1 66 66 PRO CB C 13 32.661 0.2 . 1 . . . 1 87 PRO CB . 18707 1 733 . 1 1 66 66 PRO CG C 13 26.288 0.2 . 1 . . . 1 87 PRO CG . 18707 1 734 . 1 1 66 66 PRO CD C 13 49.728 0.2 . 1 . . . 1 87 PRO CD . 18707 1 735 . 1 1 67 67 LYS H H 1 8.559 0.02 . 1 . . . 1 88 LYS H . 18707 1 736 . 1 1 67 67 LYS HA H 1 3.874 0.02 . 1 . . . 1 88 LYS HA . 18707 1 737 . 1 1 67 67 LYS HB2 H 1 1.697 0.02 . 2 . . . 1 88 LYS HB2 . 18707 1 738 . 1 1 67 67 LYS HB3 H 1 1.697 0.02 . 2 . . . 1 88 LYS HB3 . 18707 1 739 . 1 1 67 67 LYS HG2 H 1 1.318 0.02 . 2 . . . 1 88 LYS HG2 . 18707 1 740 . 1 1 67 67 LYS HG3 H 1 1.399 0.02 . 2 . . . 1 88 LYS HG3 . 18707 1 741 . 1 1 67 67 LYS HD2 H 1 1.569 0.02 . 2 . . . 1 88 LYS HD2 . 18707 1 742 . 1 1 67 67 LYS HD3 H 1 1.569 0.02 . 2 . . . 1 88 LYS HD3 . 18707 1 743 . 1 1 67 67 LYS HE2 H 1 2.861 0.02 . 2 . . . 1 88 LYS HE2 . 18707 1 744 . 1 1 67 67 LYS HE3 H 1 2.861 0.02 . 2 . . . 1 88 LYS HE3 . 18707 1 745 . 1 1 67 67 LYS CA C 13 58.684 0.2 . 1 . . . 1 88 LYS CA . 18707 1 746 . 1 1 67 67 LYS CB C 13 32.102 0.2 . 1 . . . 1 88 LYS CB . 18707 1 747 . 1 1 67 67 LYS CG C 13 25.042 0.2 . 1 . . . 1 88 LYS CG . 18707 1 748 . 1 1 67 67 LYS CD C 13 28.778 0.2 . 1 . . . 1 88 LYS CD . 18707 1 749 . 1 1 67 67 LYS CE C 13 42.036 0.2 . 1 . . . 1 88 LYS CE . 18707 1 750 . 1 1 67 67 LYS N N 15 118.637 0.2 . 1 . . . 1 88 LYS N . 18707 1 751 . 1 1 68 68 LYS H H 1 7.553 0.02 . 1 . . . 1 89 LYS H . 18707 1 752 . 1 1 68 68 LYS HA H 1 4.316 0.02 . 1 . . . 1 89 LYS HA . 18707 1 753 . 1 1 68 68 LYS HB2 H 1 1.547 0.02 . 2 . . . 1 89 LYS HB2 . 18707 1 754 . 1 1 68 68 LYS HB3 H 1 1.622 0.02 . 2 . . . 1 89 LYS HB3 . 18707 1 755 . 1 1 68 68 LYS HG2 H 1 1.205 0.02 . 2 . . . 1 89 LYS HG2 . 18707 1 756 . 1 1 68 68 LYS HG3 H 1 1.205 0.02 . 2 . . . 1 89 LYS HG3 . 18707 1 757 . 1 1 68 68 LYS HD2 H 1 1.533 0.02 . 2 . . . 1 89 LYS HD2 . 18707 1 758 . 1 1 68 68 LYS HD3 H 1 1.533 0.02 . 2 . . . 1 89 LYS HD3 . 18707 1 759 . 1 1 68 68 LYS HE2 H 1 2.828 0.02 . 2 . . . 1 89 LYS HE2 . 18707 1 760 . 1 1 68 68 LYS HE3 H 1 2.828 0.02 . 2 . . . 1 89 LYS HE3 . 18707 1 761 . 1 1 68 68 LYS CA C 13 55.36 0.2 . 1 . . . 1 89 LYS CA . 18707 1 762 . 1 1 68 68 LYS CB C 13 34.875 0.2 . 1 . . . 1 89 LYS CB . 18707 1 763 . 1 1 68 68 LYS CG C 13 24.443 0.2 . 1 . . . 1 89 LYS CG . 18707 1 764 . 1 1 68 68 LYS CD C 13 29.071 0.2 . 1 . . . 1 89 LYS CD . 18707 1 765 . 1 1 68 68 LYS CE C 13 42.036 0.2 . 1 . . . 1 89 LYS CE . 18707 1 766 . 1 1 68 68 LYS N N 15 113.907 0.2 . 1 . . . 1 89 LYS N . 18707 1 767 . 1 1 69 69 GLY H H 1 8.417 0.02 . 1 . . . 1 90 GLY H . 18707 1 768 . 1 1 69 69 GLY HA2 H 1 4.19 0.02 . 2 . . . 1 90 GLY HA2 . 18707 1 769 . 1 1 69 69 GLY HA3 H 1 3.673 0.02 . 2 . . . 1 90 GLY HA3 . 18707 1 770 . 1 1 69 69 GLY CA C 13 43.893 0.2 . 1 . . . 1 90 GLY CA . 18707 1 771 . 1 1 69 69 GLY N N 15 108.871 0.2 . 1 . . . 1 90 GLY N . 18707 1 772 . 1 1 70 70 ARG H H 1 8.291 0.02 . 1 . . . 1 91 ARG H . 18707 1 773 . 1 1 70 70 ARG HA H 1 4.116 0.02 . 1 . . . 1 91 ARG HA . 18707 1 774 . 1 1 70 70 ARG HB2 H 1 1.384 0.02 . 2 . . . 1 91 ARG HB2 . 18707 1 775 . 1 1 70 70 ARG HB3 H 1 1.419 0.02 . 2 . . . 1 91 ARG HB3 . 18707 1 776 . 1 1 70 70 ARG HG2 H 1 1.284 0.02 . 2 . . . 1 91 ARG HG2 . 18707 1 777 . 1 1 70 70 ARG HG3 H 1 1.573 0.02 . 2 . . . 1 91 ARG HG3 . 18707 1 778 . 1 1 70 70 ARG HD2 H 1 2.861 0.02 . 2 . . . 1 91 ARG HD2 . 18707 1 779 . 1 1 70 70 ARG HD3 H 1 2.861 0.02 . 2 . . . 1 91 ARG HD3 . 18707 1 780 . 1 1 70 70 ARG CA C 13 56.242 0.2 . 1 . . . 1 91 ARG CA . 18707 1 781 . 1 1 70 70 ARG CB C 13 31.823 0.2 . 1 . . . 1 91 ARG CB . 18707 1 782 . 1 1 70 70 ARG CG C 13 28.102 0.2 . 1 . . . 1 91 ARG CG . 18707 1 783 . 1 1 70 70 ARG CD C 13 43.501 0.2 . 1 . . . 1 91 ARG CD . 18707 1 784 . 1 1 70 70 ARG N N 15 117 0.2 . 1 . . . 1 91 ARG N . 18707 1 785 . 1 1 71 71 GLN H H 1 8.374 0.02 . 1 . . . 1 92 GLN H . 18707 1 786 . 1 1 71 71 GLN HA H 1 4.261 0.02 . 1 . . . 1 92 GLN HA . 18707 1 787 . 1 1 71 71 GLN HB2 H 1 1.665 0.02 . 2 . . . 1 92 GLN HB2 . 18707 1 788 . 1 1 71 71 GLN HB3 H 1 1.847 0.02 . 2 . . . 1 92 GLN HB3 . 18707 1 789 . 1 1 71 71 GLN HG2 H 1 2.177 0.02 . 2 . . . 1 92 GLN HG2 . 18707 1 790 . 1 1 71 71 GLN HG3 H 1 2.032 0.02 . 2 . . . 1 92 GLN HG3 . 18707 1 791 . 1 1 71 71 GLN HE21 H 1 6.74 0.02 . 2 . . . 1 92 GLN HE21 . 18707 1 792 . 1 1 71 71 GLN HE22 H 1 8.039 0.02 . 2 . . . 1 92 GLN HE22 . 18707 1 793 . 1 1 71 71 GLN CA C 13 55.196 0.2 . 1 . . . 1 92 GLN CA . 18707 1 794 . 1 1 71 71 GLN CB C 13 29.242 0.2 . 1 . . . 1 92 GLN CB . 18707 1 795 . 1 1 71 71 GLN CG C 13 33.027 0.2 . 1 . . . 1 92 GLN CG . 18707 1 796 . 1 1 71 71 GLN N N 15 121.361 0.2 . 1 . . . 1 92 GLN N . 18707 1 797 . 1 1 71 71 GLN NE2 N 15 108.7 0.2 . 1 . . . 1 92 GLN NE2 . 18707 1 798 . 1 1 72 72 VAL H H 1 8.786 0.02 . 1 . . . 1 93 VAL H . 18707 1 799 . 1 1 72 72 VAL HA H 1 4.39 0.02 . 1 . . . 1 93 VAL HA . 18707 1 800 . 1 1 72 72 VAL HB H 1 1.734 0.02 . 1 . . . 1 93 VAL HB . 18707 1 801 . 1 1 72 72 VAL HG11 H 1 0.789 0.02 . 2 . . . 1 93 VAL HG11 . 18707 1 802 . 1 1 72 72 VAL HG12 H 1 0.789 0.02 . 2 . . . 1 93 VAL HG12 . 18707 1 803 . 1 1 72 72 VAL HG13 H 1 0.789 0.02 . 2 . . . 1 93 VAL HG13 . 18707 1 804 . 1 1 72 72 VAL HG21 H 1 0.705 0.02 . 2 . . . 1 93 VAL HG21 . 18707 1 805 . 1 1 72 72 VAL HG22 H 1 0.705 0.02 . 2 . . . 1 93 VAL HG22 . 18707 1 806 . 1 1 72 72 VAL HG23 H 1 0.705 0.02 . 2 . . . 1 93 VAL HG23 . 18707 1 807 . 1 1 72 72 VAL CA C 13 62.312 0.2 . 1 . . . 1 93 VAL CA . 18707 1 808 . 1 1 72 72 VAL CB C 13 33.71 0.2 . 1 . . . 1 93 VAL CB . 18707 1 809 . 1 1 72 72 VAL CG1 C 13 21.966 0.2 . 1 . . . 1 93 VAL CG1 . 18707 1 810 . 1 1 72 72 VAL CG2 C 13 21.6 0.2 . 1 . . . 1 93 VAL CG2 . 18707 1 811 . 1 1 72 72 VAL N N 15 126.074 0.2 . 1 . . . 1 93 VAL N . 18707 1 812 . 1 1 73 73 LEU H H 1 8.49 0.02 . 1 . . . 1 94 LEU H . 18707 1 813 . 1 1 73 73 LEU HA H 1 4.848 0.02 . 1 . . . 1 94 LEU HA . 18707 1 814 . 1 1 73 73 LEU HB2 H 1 0.983 0.02 . 2 . . . 1 94 LEU HB2 . 18707 1 815 . 1 1 73 73 LEU HB3 H 1 1.821 0.02 . 2 . . . 1 94 LEU HB3 . 18707 1 816 . 1 1 73 73 LEU HG H 1 1.372 0.02 . 1 . . . 1 94 LEU HG . 18707 1 817 . 1 1 73 73 LEU HD11 H 1 0.698 0.02 . 2 . . . 1 94 LEU HD11 . 18707 1 818 . 1 1 73 73 LEU HD12 H 1 0.698 0.02 . 2 . . . 1 94 LEU HD12 . 18707 1 819 . 1 1 73 73 LEU HD13 H 1 0.698 0.02 . 2 . . . 1 94 LEU HD13 . 18707 1 820 . 1 1 73 73 LEU HD21 H 1 0.787 0.02 . 2 . . . 1 94 LEU HD21 . 18707 1 821 . 1 1 73 73 LEU HD22 H 1 0.787 0.02 . 2 . . . 1 94 LEU HD22 . 18707 1 822 . 1 1 73 73 LEU HD23 H 1 0.787 0.02 . 2 . . . 1 94 LEU HD23 . 18707 1 823 . 1 1 73 73 LEU CA C 13 53.172 0.2 . 1 . . . 1 94 LEU CA . 18707 1 824 . 1 1 73 73 LEU CB C 13 44.312 0.2 . 1 . . . 1 94 LEU CB . 18707 1 825 . 1 1 73 73 LEU CG C 13 27.386 0.2 . 1 . . . 1 94 LEU CG . 18707 1 826 . 1 1 73 73 LEU CD1 C 13 26.384 0.2 . 1 . . . 1 94 LEU CD1 . 18707 1 827 . 1 1 73 73 LEU CD2 C 13 23.506 0.2 . 1 . . . 1 94 LEU CD2 . 18707 1 828 . 1 1 73 73 LEU N N 15 126.555 0.2 . 1 . . . 1 94 LEU N . 18707 1 829 . 1 1 74 74 ILE H H 1 8.854 0.02 . 1 . . . 1 95 ILE H . 18707 1 830 . 1 1 74 74 ILE HA H 1 4.693 0.02 . 1 . . . 1 95 ILE HA . 18707 1 831 . 1 1 74 74 ILE HB H 1 1.89 0.02 . 1 . . . 1 95 ILE HB . 18707 1 832 . 1 1 74 74 ILE HG12 H 1 0.855 0.02 . 2 . . . 1 95 ILE HG12 . 18707 1 833 . 1 1 74 74 ILE HG13 H 1 1.508 0.02 . 2 . . . 1 95 ILE HG13 . 18707 1 834 . 1 1 74 74 ILE HG21 H 1 0.636 0.02 . 1 . . . 1 95 ILE HG21 . 18707 1 835 . 1 1 74 74 ILE HG22 H 1 0.636 0.02 . 1 . . . 1 95 ILE HG22 . 18707 1 836 . 1 1 74 74 ILE HG23 H 1 0.636 0.02 . 1 . . . 1 95 ILE HG23 . 18707 1 837 . 1 1 74 74 ILE HD11 H 1 0.7 0.02 . 1 . . . 1 95 ILE HD11 . 18707 1 838 . 1 1 74 74 ILE HD12 H 1 0.7 0.02 . 1 . . . 1 95 ILE HD12 . 18707 1 839 . 1 1 74 74 ILE HD13 H 1 0.7 0.02 . 1 . . . 1 95 ILE HD13 . 18707 1 840 . 1 1 74 74 ILE CA C 13 60.01 0.2 . 1 . . . 1 95 ILE CA . 18707 1 841 . 1 1 74 74 ILE CB C 13 39.219 0.2 . 1 . . . 1 95 ILE CB . 18707 1 842 . 1 1 74 74 ILE CG1 C 13 28.546 0.2 . 1 . . . 1 95 ILE CG1 . 18707 1 843 . 1 1 74 74 ILE CG2 C 13 17.278 0.2 . 1 . . . 1 95 ILE CG2 . 18707 1 844 . 1 1 74 74 ILE CD1 C 13 13.323 0.2 . 1 . . . 1 95 ILE CD1 . 18707 1 845 . 1 1 74 74 ILE N N 15 125.964 0.2 . 1 . . . 1 95 ILE N . 18707 1 846 . 1 1 75 75 ALA H H 1 8.74 0.02 . 1 . . . 1 96 ALA H . 18707 1 847 . 1 1 75 75 ALA HA H 1 4.485 0.02 . 1 . . . 1 96 ALA HA . 18707 1 848 . 1 1 75 75 ALA HB1 H 1 0.777 0.02 . 1 . . . 1 96 ALA HB1 . 18707 1 849 . 1 1 75 75 ALA HB2 H 1 0.777 0.02 . 1 . . . 1 96 ALA HB2 . 18707 1 850 . 1 1 75 75 ALA HB3 H 1 0.777 0.02 . 1 . . . 1 96 ALA HB3 . 18707 1 851 . 1 1 75 75 ALA CA C 13 49.684 0.2 . 1 . . . 1 96 ALA CA . 18707 1 852 . 1 1 75 75 ALA CB C 13 20.032 0.2 . 1 . . . 1 96 ALA CB . 18707 1 853 . 1 1 75 75 ALA N N 15 128.118 0.2 . 1 . . . 1 96 ALA N . 18707 1 854 . 1 1 76 76 LYS H H 1 8.949 0.02 . 1 . . . 1 97 LYS H . 18707 1 855 . 1 1 76 76 LYS HA H 1 4.382 0.02 . 1 . . . 1 97 LYS HA . 18707 1 856 . 1 1 76 76 LYS HB2 H 1 1.457 0.02 . 2 . . . 1 97 LYS HB2 . 18707 1 857 . 1 1 76 76 LYS HB3 H 1 1.581 0.02 . 2 . . . 1 97 LYS HB3 . 18707 1 858 . 1 1 76 76 LYS HG3 H 1 1.056 0.02 . 2 . . . 1 97 LYS HG3 . 18707 1 859 . 1 1 76 76 LYS HD2 H 1 1.394 0.02 . 2 . . . 1 97 LYS HD2 . 18707 1 860 . 1 1 76 76 LYS HD3 H 1 1.394 0.02 . 2 . . . 1 97 LYS HD3 . 18707 1 861 . 1 1 76 76 LYS HE2 H 1 2.675 0.02 . 2 . . . 1 97 LYS HE2 . 18707 1 862 . 1 1 76 76 LYS HE3 H 1 2.675 0.02 . 2 . . . 1 97 LYS HE3 . 18707 1 863 . 1 1 76 76 LYS CA C 13 55.475 0.2 . 1 . . . 1 97 LYS CA . 18707 1 864 . 1 1 76 76 LYS CB C 13 32.242 0.2 . 1 . . . 1 97 LYS CB . 18707 1 865 . 1 1 76 76 LYS CG C 13 25.017 0.2 . 1 . . . 1 97 LYS CG . 18707 1 866 . 1 1 76 76 LYS CD C 13 29.071 0.2 . 1 . . . 1 97 LYS CD . 18707 1 867 . 1 1 76 76 LYS CE C 13 41.89 0.2 . 1 . . . 1 97 LYS CE . 18707 1 868 . 1 1 76 76 LYS N N 15 123.492 0.2 . 1 . . . 1 97 LYS N . 18707 1 869 . 1 1 77 77 VAL H H 1 8.704 0.02 . 1 . . . 1 98 VAL H . 18707 1 870 . 1 1 77 77 VAL HA H 1 4.416 0.02 . 1 . . . 1 98 VAL HA . 18707 1 871 . 1 1 77 77 VAL HB H 1 1.693 0.02 . 1 . . . 1 98 VAL HB . 18707 1 872 . 1 1 77 77 VAL HG11 H 1 0.672 0.02 . 2 . . . 1 98 VAL HG11 . 18707 1 873 . 1 1 77 77 VAL HG12 H 1 0.672 0.02 . 2 . . . 1 98 VAL HG12 . 18707 1 874 . 1 1 77 77 VAL HG13 H 1 0.672 0.02 . 2 . . . 1 98 VAL HG13 . 18707 1 875 . 1 1 77 77 VAL HG21 H 1 0.455 0.02 . 2 . . . 1 98 VAL HG21 . 18707 1 876 . 1 1 77 77 VAL HG22 H 1 0.455 0.02 . 2 . . . 1 98 VAL HG22 . 18707 1 877 . 1 1 77 77 VAL HG23 H 1 0.455 0.02 . 2 . . . 1 98 VAL HG23 . 18707 1 878 . 1 1 77 77 VAL CA C 13 61.335 0.2 . 1 . . . 1 98 VAL CA . 18707 1 879 . 1 1 77 77 VAL CB C 13 33.497 0.2 . 1 . . . 1 98 VAL CB . 18707 1 880 . 1 1 77 77 VAL CG1 C 13 22.334 0.2 . 1 . . . 1 98 VAL CG1 . 18707 1 881 . 1 1 77 77 VAL CG2 C 13 22.44 0.2 . 1 . . . 1 98 VAL CG2 . 18707 1 882 . 1 1 77 77 VAL N N 15 126.648 0.2 . 1 . . . 1 98 VAL N . 18707 1 883 . 1 1 78 78 THR H H 1 8.824 0.02 . 1 . . . 1 99 THR H . 18707 1 884 . 1 1 78 78 THR HA H 1 4.54 0.02 . 1 . . . 1 99 THR HA . 18707 1 885 . 1 1 78 78 THR HB H 1 3.984 0.02 . 1 . . . 1 99 THR HB . 18707 1 886 . 1 1 78 78 THR HG21 H 1 1.053 0.02 . 1 . . . 1 99 THR HG21 . 18707 1 887 . 1 1 78 78 THR HG22 H 1 1.053 0.02 . 1 . . . 1 99 THR HG22 . 18707 1 888 . 1 1 78 78 THR HG23 H 1 1.053 0.02 . 1 . . . 1 99 THR HG23 . 18707 1 889 . 1 1 78 78 THR CA C 13 59.065 0.2 . 1 . . . 1 99 THR CA . 18707 1 890 . 1 1 78 78 THR CB C 13 69.827 0.2 . 1 . . . 1 99 THR CB . 18707 1 891 . 1 1 78 78 THR CG2 C 13 21.014 0.2 . 1 . . . 1 99 THR CG2 . 18707 1 892 . 1 1 78 78 THR N N 15 122.549 0.2 . 1 . . . 1 99 THR N . 18707 1 893 . 1 1 79 79 PRO HA H 1 3.5 0.02 . 1 . . . 1 100 PRO HA . 18707 1 894 . 1 1 79 79 PRO HB2 H 1 1 0.02 . 2 . . . 1 100 PRO HB2 . 18707 1 895 . 1 1 79 79 PRO HB3 H 1 1.294 0.02 . 2 . . . 1 100 PRO HB3 . 18707 1 896 . 1 1 79 79 PRO HG2 H 1 1.284 0.02 . 2 . . . 1 100 PRO HG2 . 18707 1 897 . 1 1 79 79 PRO HG3 H 1 1.834 0.02 . 2 . . . 1 100 PRO HG3 . 18707 1 898 . 1 1 79 79 PRO HD2 H 1 3.747 0.02 . 2 . . . 1 100 PRO HD2 . 18707 1 899 . 1 1 79 79 PRO HD3 H 1 3.463 0.02 . 2 . . . 1 100 PRO HD3 . 18707 1 900 . 1 1 79 79 PRO CA C 13 65.382 0.2 . 1 . . . 1 100 PRO CA . 18707 1 901 . 1 1 79 79 PRO CB C 13 31.544 0.2 . 1 . . . 1 100 PRO CB . 18707 1 902 . 1 1 79 79 PRO CG C 13 27.409 0.2 . 1 . . . 1 100 PRO CG . 18707 1 903 . 1 1 79 79 PRO CD C 13 50.826 0.2 . 1 . . . 1 100 PRO CD . 18707 1 904 . 1 1 80 80 GLY H H 1 7.772 0.02 . 1 . . . 1 101 GLY H . 18707 1 905 . 1 1 80 80 GLY HA2 H 1 4.004 0.02 . 2 . . . 1 101 GLY HA2 . 18707 1 906 . 1 1 80 80 GLY HA3 H 1 3.502 0.02 . 2 . . . 1 101 GLY HA3 . 18707 1 907 . 1 1 80 80 GLY CA C 13 44.242 0.2 . 1 . . . 1 101 GLY CA . 18707 1 908 . 1 1 80 80 GLY N N 15 100.098 0.2 . 1 . . . 1 101 GLY N . 18707 1 909 . 1 1 81 81 VAL H H 1 8.178 0.02 . 1 . . . 1 102 VAL H . 18707 1 910 . 1 1 81 81 VAL HA H 1 3.926 0.02 . 1 . . . 1 102 VAL HA . 18707 1 911 . 1 1 81 81 VAL HB H 1 1.908 0.02 . 1 . . . 1 102 VAL HB . 18707 1 912 . 1 1 81 81 VAL HG11 H 1 0.835 0.02 . 2 . . . 1 102 VAL HG11 . 18707 1 913 . 1 1 81 81 VAL HG12 H 1 0.835 0.02 . 2 . . . 1 102 VAL HG12 . 18707 1 914 . 1 1 81 81 VAL HG13 H 1 0.835 0.02 . 2 . . . 1 102 VAL HG13 . 18707 1 915 . 1 1 81 81 VAL HG21 H 1 0.791 0.02 . 2 . . . 1 102 VAL HG21 . 18707 1 916 . 1 1 81 81 VAL HG22 H 1 0.791 0.02 . 2 . . . 1 102 VAL HG22 . 18707 1 917 . 1 1 81 81 VAL HG23 H 1 0.791 0.02 . 2 . . . 1 102 VAL HG23 . 18707 1 918 . 1 1 81 81 VAL CA C 13 62.173 0.2 . 1 . . . 1 102 VAL CA . 18707 1 919 . 1 1 81 81 VAL CB C 13 33.149 0.2 . 1 . . . 1 102 VAL CB . 18707 1 920 . 1 1 81 81 VAL CG1 C 13 20.574 0.2 . 1 . . . 1 102 VAL CG1 . 18707 1 921 . 1 1 81 81 VAL CG2 C 13 21.035 0.2 . 1 . . . 1 102 VAL CG2 . 18707 1 922 . 1 1 81 81 VAL N N 15 116.731 0.2 . 1 . . . 1 102 VAL N . 18707 1 923 . 1 1 82 82 LEU H H 1 8.235 0.02 . 1 . . . 1 103 LEU H . 18707 1 924 . 1 1 82 82 LEU HA H 1 3.639 0.02 . 1 . . . 1 103 LEU HA . 18707 1 925 . 1 1 82 82 LEU HB2 H 1 1.035 0.02 . 2 . . . 1 103 LEU HB2 . 18707 1 926 . 1 1 82 82 LEU HB3 H 1 1.277 0.02 . 2 . . . 1 103 LEU HB3 . 18707 1 927 . 1 1 82 82 LEU HD11 H 1 0.268 0.02 . 2 . . . 1 103 LEU HD11 . 18707 1 928 . 1 1 82 82 LEU HD12 H 1 0.268 0.02 . 2 . . . 1 103 LEU HD12 . 18707 1 929 . 1 1 82 82 LEU HD13 H 1 0.268 0.02 . 2 . . . 1 103 LEU HD13 . 18707 1 930 . 1 1 82 82 LEU HD21 H 1 0.399 0.02 . 2 . . . 1 103 LEU HD21 . 18707 1 931 . 1 1 82 82 LEU HD22 H 1 0.399 0.02 . 2 . . . 1 103 LEU HD22 . 18707 1 932 . 1 1 82 82 LEU HD23 H 1 0.399 0.02 . 2 . . . 1 103 LEU HD23 . 18707 1 933 . 1 1 82 82 LEU CA C 13 54.289 0.2 . 1 . . . 1 103 LEU CA . 18707 1 934 . 1 1 82 82 LEU CB C 13 42.847 0.2 . 1 . . . 1 103 LEU CB . 18707 1 935 . 1 1 82 82 LEU CD1 C 13 23.492 0.2 . 1 . . . 1 103 LEU CD1 . 18707 1 936 . 1 1 82 82 LEU CD2 C 13 24.969 0.2 . 1 . . . 1 103 LEU CD2 . 18707 1 937 . 1 1 82 82 LEU N N 15 127.188 0.2 . 1 . . . 1 103 LEU N . 18707 1 938 . 1 1 83 83 GLU H H 1 8.555 0.02 . 1 . . . 1 104 GLU H . 18707 1 939 . 1 1 83 83 GLU HA H 1 4.117 0.02 . 1 . . . 1 104 GLU HA . 18707 1 940 . 1 1 83 83 GLU HB2 H 1 1.798 0.02 . 2 . . . 1 104 GLU HB2 . 18707 1 941 . 1 1 83 83 GLU HB3 H 1 1.798 0.02 . 2 . . . 1 104 GLU HB3 . 18707 1 942 . 1 1 83 83 GLU HG2 H 1 1.948 0.02 . 2 . . . 1 104 GLU HG2 . 18707 1 943 . 1 1 83 83 GLU HG3 H 1 1.998 0.02 . 2 . . . 1 104 GLU HG3 . 18707 1 944 . 1 1 83 83 GLU CA C 13 56.242 0.2 . 1 . . . 1 104 GLU CA . 18707 1 945 . 1 1 83 83 GLU CB C 13 30.707 0.2 . 1 . . . 1 104 GLU CB . 18707 1 946 . 1 1 83 83 GLU CG C 13 36.176 0.2 . 1 . . . 1 104 GLU CG . 18707 1 947 . 1 1 83 83 GLU N N 15 124.772 0.2 . 1 . . . 1 104 GLU N . 18707 1 948 . 1 1 84 84 HIS H H 1 8.321 0.02 . 1 . . . 1 105 HIS H . 18707 1 949 . 1 1 84 84 HIS CA C 13 56.866 0.2 . 1 . . . 1 105 HIS CA . 18707 1 950 . 1 1 84 84 HIS CB C 13 30.852 0.2 . 1 . . . 1 105 HIS CB . 18707 1 951 . 1 1 84 84 HIS N N 15 119.321 0.2 . 1 . . . 1 105 HIS N . 18707 1 stop_ save_