data_16711 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16711 _Entry.Title ; NMR structure of the protein NP_415897.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-02-06 _Entry.Accession_date 2010-02-06 _Entry.Last_release_date 2012-08-03 _Entry.Original_release_date 2012-08-03 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details 'NMR structure of the protein NP_415897.1' _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 Pedro Serrano . . . 16711 2 Kristaps Jaudzems . . . 16711 3 Michael Geralt . . . 16711 4 Reto Horst . . . 16711 5 Kurt Wuthrich . . . 16711 6 Ian Wilson . A. . 16711 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 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16711 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID JCSG . 16711 NMR . 16711 NP_415897.1 . 16711 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16711 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 387 16711 '15N chemical shifts' 131 16711 '1H chemical shifts' 822 16711 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2012-08-03 2010-02-06 original author . 16711 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KTS 'BMRB Entry Tracking System' 16711 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 16711 _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 'NMR structure of the protein NP_415897.1' _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 Pedro Serrano . . . 16711 1 2 Kristaps Jaudzems . . . 16711 1 3 Michael Geralt . . . 16711 1 4 Reto Horst . . . 16711 1 5 Ian Wilson . A. . 16711 1 6 Kurt Wuthrich . . . 16711 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16711 _Assembly.ID 1 _Assembly.Name NP_415897.1 _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 NP_415897.1 1 $entity A . yes native no no . . . 16711 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16711 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NP_415897.1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MVTPEQLQHHRFVLESVNGK PVTSDKNPPEISFGEKMMIS GSMCNRFSGEGKLSNGELTA KGLAMTRMMCANPQLNELDN TISEMLKEGAQVDLTANQLT LATAKQTLTYKLADLMN ; _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 117 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12846.825 _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 2KTS . "Nmr Structure Of The Protein Np_415897.1" . . . . . 100.00 117 100.00 100.00 2.15e-79 . . . . 16711 1 2 no DBJ BAA14984 . "heat-inducible protein [Escherichia coli str. K12 substr. W3110]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 3 no DBJ BAB35424 . "heat shock protein hslJ [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.15 140 99.14 99.14 5.27e-78 . . . . 16711 1 4 no DBJ BAG76988 . "heat shock protein [Escherichia coli SE11]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 5 no DBJ BAI25261 . "heat-inducible protein HslJ [Escherichia coli O26:H11 str. 11368]" . . . . . 99.15 140 100.00 100.00 8.62e-79 . . . . 16711 1 6 no DBJ BAI30341 . "heat-inducible protein HslJ [Escherichia coli O103:H2 str. 12009]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 7 no EMBL CAP75894 . "Heat shock protein hslJ [Escherichia coli LF82]" . . . . . 99.15 140 100.00 100.00 4.94e-79 . . . . 16711 1 8 no EMBL CAQ31880 . "heat shock protein HslJ [Escherichia coli BL21(DE3)]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 9 no EMBL CAQ98238 . "heat-inducible protein [Escherichia coli IAI1]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 10 no EMBL CAR02814 . "heat-inducible protein [Escherichia coli S88]" . . . . . 99.15 140 99.14 99.14 1.97e-78 . . . . 16711 1 11 no EMBL CAR07740 . "heat-inducible protein [Escherichia coli ED1a]" . . . . . 99.15 140 100.00 100.00 4.94e-79 . . . . 16711 1 12 no GB AAC74461 . "heat-inducible lipoprotein involved in novobiocin resistance [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 13 no GB AAG56381 . "heat shock protein hslJ [Escherichia coli O157:H7 str. EDL933]" . . . . . 99.15 140 99.14 99.14 5.27e-78 . . . . 16711 1 14 no GB AAN80290 . "Heat shock protein hslJ [Escherichia coli CFT073]" . . . . . 99.15 144 100.00 100.00 4.01e-79 . . . . 16711 1 15 no GB AAZ88432 . "heat shock protein hslJ [Shigella sonnei Ss046]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 16 no GB ABB66292 . "heat shock protein hslJ [Shigella boydii Sb227]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 17 no REF NP_310028 . "heat-inducible protein [Escherichia coli O157:H7 str. Sakai]" . . . . . 99.15 140 99.14 99.14 5.27e-78 . . . . 16711 1 18 no REF NP_415897 . "heat-inducible lipoprotein involved in novobiocin resistance [Escherichia coli str. K-12 substr. MG1655]" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 19 no REF WP_000129114 . "heat-inducible protein [Escherichia coli]" . . . . . 99.15 156 99.14 100.00 1.58e-77 . . . . 16711 1 20 no REF WP_001295716 . "heat-shock protein HslJ [Escherichia coli]" . . . . . 99.15 140 100.00 100.00 8.62e-79 . . . . 16711 1 21 no REF WP_001296048 . "MULTISPECIES: heat-inducible protein [Enterobacteriaceae]" . . . . . 99.15 140 100.00 100.00 4.94e-79 . . . . 16711 1 22 no SP P52644 . "RecName: Full=Heat shock protein HslJ" . . . . . 99.15 140 100.00 100.00 7.81e-79 . . . . 16711 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 16711 1 2 . VAL . 16711 1 3 . THR . 16711 1 4 . PRO . 16711 1 5 . GLU . 16711 1 6 . GLN . 16711 1 7 . LEU . 16711 1 8 . GLN . 16711 1 9 . HIS . 16711 1 10 . HIS . 16711 1 11 . ARG . 16711 1 12 . PHE . 16711 1 13 . VAL . 16711 1 14 . LEU . 16711 1 15 . GLU . 16711 1 16 . SER . 16711 1 17 . VAL . 16711 1 18 . ASN . 16711 1 19 . GLY . 16711 1 20 . LYS . 16711 1 21 . PRO . 16711 1 22 . VAL . 16711 1 23 . THR . 16711 1 24 . SER . 16711 1 25 . ASP . 16711 1 26 . LYS . 16711 1 27 . ASN . 16711 1 28 . PRO . 16711 1 29 . PRO . 16711 1 30 . GLU . 16711 1 31 . ILE . 16711 1 32 . SER . 16711 1 33 . PHE . 16711 1 34 . GLY . 16711 1 35 . GLU . 16711 1 36 . LYS . 16711 1 37 . MET . 16711 1 38 . MET . 16711 1 39 . ILE . 16711 1 40 . SER . 16711 1 41 . GLY . 16711 1 42 . SER . 16711 1 43 . MET . 16711 1 44 . CYS . 16711 1 45 . ASN . 16711 1 46 . ARG . 16711 1 47 . PHE . 16711 1 48 . SER . 16711 1 49 . GLY . 16711 1 50 . GLU . 16711 1 51 . GLY . 16711 1 52 . LYS . 16711 1 53 . LEU . 16711 1 54 . SER . 16711 1 55 . ASN . 16711 1 56 . GLY . 16711 1 57 . GLU . 16711 1 58 . LEU . 16711 1 59 . THR . 16711 1 60 . ALA . 16711 1 61 . LYS . 16711 1 62 . GLY . 16711 1 63 . LEU . 16711 1 64 . ALA . 16711 1 65 . MET . 16711 1 66 . THR . 16711 1 67 . ARG . 16711 1 68 . MET . 16711 1 69 . MET . 16711 1 70 . CYS . 16711 1 71 . ALA . 16711 1 72 . ASN . 16711 1 73 . PRO . 16711 1 74 . GLN . 16711 1 75 . LEU . 16711 1 76 . ASN . 16711 1 77 . GLU . 16711 1 78 . LEU . 16711 1 79 . ASP . 16711 1 80 . ASN . 16711 1 81 . THR . 16711 1 82 . ILE . 16711 1 83 . SER . 16711 1 84 . GLU . 16711 1 85 . MET . 16711 1 86 . LEU . 16711 1 87 . LYS . 16711 1 88 . GLU . 16711 1 89 . GLY . 16711 1 90 . ALA . 16711 1 91 . GLN . 16711 1 92 . VAL . 16711 1 93 . ASP . 16711 1 94 . LEU . 16711 1 95 . THR . 16711 1 96 . ALA . 16711 1 97 . ASN . 16711 1 98 . GLN . 16711 1 99 . LEU . 16711 1 100 . THR . 16711 1 101 . LEU . 16711 1 102 . ALA . 16711 1 103 . THR . 16711 1 104 . ALA . 16711 1 105 . LYS . 16711 1 106 . GLN . 16711 1 107 . THR . 16711 1 108 . LEU . 16711 1 109 . THR . 16711 1 110 . TYR . 16711 1 111 . LYS . 16711 1 112 . LEU . 16711 1 113 . ALA . 16711 1 114 . ASP . 16711 1 115 . LEU . 16711 1 116 . MET . 16711 1 117 . ASN . 16711 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 16711 1 . VAL 2 2 16711 1 . THR 3 3 16711 1 . PRO 4 4 16711 1 . GLU 5 5 16711 1 . GLN 6 6 16711 1 . LEU 7 7 16711 1 . GLN 8 8 16711 1 . HIS 9 9 16711 1 . HIS 10 10 16711 1 . ARG 11 11 16711 1 . PHE 12 12 16711 1 . VAL 13 13 16711 1 . LEU 14 14 16711 1 . GLU 15 15 16711 1 . SER 16 16 16711 1 . VAL 17 17 16711 1 . ASN 18 18 16711 1 . GLY 19 19 16711 1 . LYS 20 20 16711 1 . PRO 21 21 16711 1 . VAL 22 22 16711 1 . THR 23 23 16711 1 . SER 24 24 16711 1 . ASP 25 25 16711 1 . LYS 26 26 16711 1 . ASN 27 27 16711 1 . PRO 28 28 16711 1 . PRO 29 29 16711 1 . GLU 30 30 16711 1 . ILE 31 31 16711 1 . SER 32 32 16711 1 . PHE 33 33 16711 1 . GLY 34 34 16711 1 . GLU 35 35 16711 1 . LYS 36 36 16711 1 . MET 37 37 16711 1 . MET 38 38 16711 1 . ILE 39 39 16711 1 . SER 40 40 16711 1 . GLY 41 41 16711 1 . SER 42 42 16711 1 . MET 43 43 16711 1 . CYS 44 44 16711 1 . ASN 45 45 16711 1 . ARG 46 46 16711 1 . PHE 47 47 16711 1 . SER 48 48 16711 1 . GLY 49 49 16711 1 . GLU 50 50 16711 1 . GLY 51 51 16711 1 . LYS 52 52 16711 1 . LEU 53 53 16711 1 . SER 54 54 16711 1 . ASN 55 55 16711 1 . GLY 56 56 16711 1 . GLU 57 57 16711 1 . LEU 58 58 16711 1 . THR 59 59 16711 1 . ALA 60 60 16711 1 . LYS 61 61 16711 1 . GLY 62 62 16711 1 . LEU 63 63 16711 1 . ALA 64 64 16711 1 . MET 65 65 16711 1 . THR 66 66 16711 1 . ARG 67 67 16711 1 . MET 68 68 16711 1 . MET 69 69 16711 1 . CYS 70 70 16711 1 . ALA 71 71 16711 1 . ASN 72 72 16711 1 . PRO 73 73 16711 1 . GLN 74 74 16711 1 . LEU 75 75 16711 1 . ASN 76 76 16711 1 . GLU 77 77 16711 1 . LEU 78 78 16711 1 . ASP 79 79 16711 1 . ASN 80 80 16711 1 . THR 81 81 16711 1 . ILE 82 82 16711 1 . SER 83 83 16711 1 . GLU 84 84 16711 1 . MET 85 85 16711 1 . LEU 86 86 16711 1 . LYS 87 87 16711 1 . GLU 88 88 16711 1 . GLY 89 89 16711 1 . ALA 90 90 16711 1 . GLN 91 91 16711 1 . VAL 92 92 16711 1 . ASP 93 93 16711 1 . LEU 94 94 16711 1 . THR 95 95 16711 1 . ALA 96 96 16711 1 . ASN 97 97 16711 1 . GLN 98 98 16711 1 . LEU 99 99 16711 1 . THR 100 100 16711 1 . LEU 101 101 16711 1 . ALA 102 102 16711 1 . THR 103 103 16711 1 . ALA 104 104 16711 1 . LYS 105 105 16711 1 . GLN 106 106 16711 1 . THR 107 107 16711 1 . LEU 108 108 16711 1 . THR 109 109 16711 1 . TYR 110 110 16711 1 . LYS 111 111 16711 1 . LEU 112 112 16711 1 . ALA 113 113 16711 1 . ASP 114 114 16711 1 . LEU 115 115 16711 1 . MET 116 116 16711 1 . ASN 117 117 16711 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 16711 _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 $entity . 562 organism . 'Escherichia coli' 'E. coli' . . Eubacteria . Escherichia coli k12 . . . . . . . . . . . . . . . . . . . . 16711 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 16711 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21 (DE3) . . . . . . . . . . . . . . pET25b . . . . . . 16711 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16711 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% 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 NP_415897.1 '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 16711 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16711 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 16711 1 4 'sodium azide' 'natural abundance' . . . . . . 0.05 . . % . . . . 16711 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16711 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 16711 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 16711 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.1 . M 16711 1 pH 6.0 . pH 16711 1 pressure 1 . atm 16711 1 temperature 298 . K 16711 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16711 _Software.ID 1 _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' . . 16711 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16711 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16711 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 16711 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16711 2 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 16711 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16711 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16711 3 processing 16711 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 16711 _Software.ID 4 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16711 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16711 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 16711 _Software.ID 5 _Software.Name UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 16711 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16711 5 'peak picking' 16711 5 'structure solution' 16711 5 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 16711 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _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 16711 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16711 _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 . . . 16711 1 2 spectrometer_2 Bruker Avance . 800 . . . 16711 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 16711 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 1 3 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16711 1 4 '3D 1H-13C NOESY (Ali)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16711 1 5 '3D 1H-13C NOESY (Aro)' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16711 1 6 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 1 7 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 1 8 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16711 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 16711 _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 . . . . . . . . . 16711 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 16711 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 16711 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 16711 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 16711 1 3 '3D 1H-15N NOESY' . . . 16711 1 4 '3D 1H-13C NOESY (Ali)' . . . 16711 1 5 '3D 1H-13C NOESY (Aro)' . . . 16711 1 6 'APSY 5D-CBCACONH' . . . 16711 1 7 'APSY 5D-HACACONH' . . . 16711 1 8 'APSY 4D-HACANH' . . . 16711 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 2 $CARA . . 16711 1 3 $Topspin . . 16711 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.110 0.006 . 1 . . . . 1 MET HA . 16711 1 2 . 1 1 1 1 MET HB2 H 1 2.049 0.006 . 2 . . . . 1 MET QB . 16711 1 3 . 1 1 1 1 MET HB3 H 1 2.049 0.006 . 2 . . . . 1 MET QB . 16711 1 4 . 1 1 1 1 MET HG2 H 1 2.516 0.006 . 2 . . . . 1 MET HG2 . 16711 1 5 . 1 1 1 1 MET HG3 H 1 2.410 0.006 . 2 . . . . 1 MET HG3 . 16711 1 6 . 1 1 1 1 MET CA C 13 55.120 0.16 . 1 . . . . 1 MET CA . 16711 1 7 . 1 1 1 1 MET CB C 13 33.492 0.16 . 1 . . . . 1 MET CB . 16711 1 8 . 1 1 1 1 MET CG C 13 31.060 0.16 . 1 . . . . 1 MET CG . 16711 1 9 . 1 1 2 2 VAL H H 1 8.457 0.006 . 1 . . . . 2 VAL H . 16711 1 10 . 1 1 2 2 VAL HA H 1 4.409 0.006 . 1 . . . . 2 VAL HA . 16711 1 11 . 1 1 2 2 VAL HB H 1 1.756 0.006 . 1 . . . . 2 VAL HB . 16711 1 12 . 1 1 2 2 VAL HG11 H 1 0.671 0.006 . 1 . . . . 2 VAL QG1 . 16711 1 13 . 1 1 2 2 VAL HG12 H 1 0.671 0.006 . 1 . . . . 2 VAL QG1 . 16711 1 14 . 1 1 2 2 VAL HG13 H 1 0.671 0.006 . 1 . . . . 2 VAL QG1 . 16711 1 15 . 1 1 2 2 VAL HG21 H 1 0.848 0.006 . 1 . . . . 2 VAL QG2 . 16711 1 16 . 1 1 2 2 VAL HG22 H 1 0.848 0.006 . 1 . . . . 2 VAL QG2 . 16711 1 17 . 1 1 2 2 VAL HG23 H 1 0.848 0.006 . 1 . . . . 2 VAL QG2 . 16711 1 18 . 1 1 2 2 VAL CA C 13 62.287 0.16 . 1 . . . . 2 VAL CA . 16711 1 19 . 1 1 2 2 VAL CB C 13 33.156 0.16 . 1 . . . . 2 VAL CB . 16711 1 20 . 1 1 2 2 VAL CG1 C 13 21.666 0.16 . 2 . . . . 2 VAL CG1 . 16711 1 21 . 1 1 2 2 VAL CG2 C 13 23.178 0.16 . 2 . . . . 2 VAL CG2 . 16711 1 22 . 1 1 2 2 VAL N N 15 124.856 0.12 . 1 . . . . 2 VAL N . 16711 1 23 . 1 1 3 3 THR H H 1 7.709 0.006 . 1 . . . . 3 THR H . 16711 1 24 . 1 1 3 3 THR HA H 1 4.760 0.006 . 1 . . . . 3 THR HA . 16711 1 25 . 1 1 3 3 THR HB H 1 4.570 0.006 . 1 . . . . 3 THR HB . 16711 1 26 . 1 1 3 3 THR HG21 H 1 1.151 0.006 . 1 . . . . 3 THR QG2 . 16711 1 27 . 1 1 3 3 THR HG22 H 1 1.151 0.006 . 1 . . . . 3 THR QG2 . 16711 1 28 . 1 1 3 3 THR HG23 H 1 1.151 0.006 . 1 . . . . 3 THR QG2 . 16711 1 29 . 1 1 3 3 THR CA C 13 58.591 0.16 . 1 . . . . 3 THR CA . 16711 1 30 . 1 1 3 3 THR CB C 13 69.384 0.16 . 1 . . . . 3 THR CB . 16711 1 31 . 1 1 3 3 THR CG2 C 13 22.393 0.16 . 1 . . . . 3 THR CG2 . 16711 1 32 . 1 1 3 3 THR N N 15 115.665 0.12 . 1 . . . . 3 THR N . 16711 1 33 . 1 1 4 4 PRO HA H 1 3.953 0.006 . 1 . . . . 4 PRO HA . 16711 1 34 . 1 1 4 4 PRO HB2 H 1 1.793 0.006 . 2 . . . . 4 PRO HB2 . 16711 1 35 . 1 1 4 4 PRO HB3 H 1 2.172 0.006 . 2 . . . . 4 PRO HB3 . 16711 1 36 . 1 1 4 4 PRO HD2 H 1 3.889 0.006 . 2 . . . . 4 PRO HD2 . 16711 1 37 . 1 1 4 4 PRO HD3 H 1 3.732 0.006 . 2 . . . . 4 PRO HD3 . 16711 1 38 . 1 1 4 4 PRO HG2 H 1 1.906 0.006 . 2 . . . . 4 PRO HG2 . 16711 1 39 . 1 1 4 4 PRO HG3 H 1 2.245 0.006 . 2 . . . . 4 PRO HG3 . 16711 1 40 . 1 1 4 4 PRO CA C 13 66.334 0.16 . 1 . . . . 4 PRO CA . 16711 1 41 . 1 1 4 4 PRO CB C 13 32.271 0.16 . 1 . . . . 4 PRO CB . 16711 1 42 . 1 1 4 4 PRO CD C 13 50.900 0.16 . 1 . . . . 4 PRO CD . 16711 1 43 . 1 1 4 4 PRO CG C 13 28.543 0.16 . 1 . . . . 4 PRO CG . 16711 1 44 . 1 1 5 5 GLU H H 1 8.757 0.006 . 1 . . . . 5 GLU H . 16711 1 45 . 1 1 5 5 GLU HA H 1 3.940 0.006 . 1 . . . . 5 GLU HA . 16711 1 46 . 1 1 5 5 GLU HB2 H 1 1.993 0.006 . 2 . . . . 5 GLU HB2 . 16711 1 47 . 1 1 5 5 GLU HB3 H 1 1.939 0.006 . 2 . . . . 5 GLU HB3 . 16711 1 48 . 1 1 5 5 GLU HG2 H 1 2.396 0.006 . 2 . . . . 5 GLU HG2 . 16711 1 49 . 1 1 5 5 GLU HG3 H 1 2.201 0.006 . 2 . . . . 5 GLU HG3 . 16711 1 50 . 1 1 5 5 GLU CA C 13 60.032 0.16 . 1 . . . . 5 GLU CA . 16711 1 51 . 1 1 5 5 GLU CB C 13 28.799 0.16 . 1 . . . . 5 GLU CB . 16711 1 52 . 1 1 5 5 GLU CG C 13 37.282 0.16 . 1 . . . . 5 GLU CG . 16711 1 53 . 1 1 5 5 GLU N N 15 115.254 0.12 . 1 . . . . 5 GLU N . 16711 1 54 . 1 1 6 6 GLN H H 1 7.538 0.006 . 1 . . . . 6 GLN H . 16711 1 55 . 1 1 6 6 GLN HA H 1 4.117 0.006 . 1 . . . . 6 GLN HA . 16711 1 56 . 1 1 6 6 GLN HB2 H 1 1.931 0.006 . 2 . . . . 6 GLN HB2 . 16711 1 57 . 1 1 6 6 GLN HB3 H 1 2.120 0.006 . 2 . . . . 6 GLN HB3 . 16711 1 58 . 1 1 6 6 GLN HE21 H 1 6.831 0.006 . 2 . . . . 6 GLN HE21 . 16711 1 59 . 1 1 6 6 GLN HE22 H 1 7.498 0.006 . 2 . . . . 6 GLN HE22 . 16711 1 60 . 1 1 6 6 GLN HG2 H 1 2.314 0.006 . 2 . . . . 6 GLN QG . 16711 1 61 . 1 1 6 6 GLN HG3 H 1 2.314 0.006 . 2 . . . . 6 GLN QG . 16711 1 62 . 1 1 6 6 GLN CA C 13 58.084 0.16 . 1 . . . . 6 GLN CA . 16711 1 63 . 1 1 6 6 GLN CB C 13 30.769 0.16 . 1 . . . . 6 GLN CB . 16711 1 64 . 1 1 6 6 GLN CG C 13 35.817 0.16 . 1 . . . . 6 GLN CG . 16711 1 65 . 1 1 6 6 GLN N N 15 116.415 0.12 . 1 . . . . 6 GLN N . 16711 1 66 . 1 1 6 6 GLN NE2 N 15 111.060 0.12 . 1 . . . . 6 GLN NE2 . 16711 1 67 . 1 1 7 7 LEU H H 1 6.891 0.006 . 1 . . . . 7 LEU H . 16711 1 68 . 1 1 7 7 LEU HA H 1 4.268 0.006 . 1 . . . . 7 LEU HA . 16711 1 69 . 1 1 7 7 LEU HB2 H 1 1.177 0.006 . 2 . . . . 7 LEU HB2 . 16711 1 70 . 1 1 7 7 LEU HB3 H 1 0.590 0.006 . 2 . . . . 7 LEU HB3 . 16711 1 71 . 1 1 7 7 LEU HD11 H 1 -0.007 0.006 . 1 . . . . 7 LEU QD1 . 16711 1 72 . 1 1 7 7 LEU HD12 H 1 -0.007 0.006 . 1 . . . . 7 LEU QD1 . 16711 1 73 . 1 1 7 7 LEU HD13 H 1 -0.007 0.006 . 1 . . . . 7 LEU QD1 . 16711 1 74 . 1 1 7 7 LEU HD21 H 1 0.163 0.006 . 1 . . . . 7 LEU QD2 . 16711 1 75 . 1 1 7 7 LEU HD22 H 1 0.163 0.006 . 1 . . . . 7 LEU QD2 . 16711 1 76 . 1 1 7 7 LEU HD23 H 1 0.163 0.006 . 1 . . . . 7 LEU QD2 . 16711 1 77 . 1 1 7 7 LEU HG H 1 1.152 0.006 . 1 . . . . 7 LEU HG . 16711 1 78 . 1 1 7 7 LEU CA C 13 56.100 0.16 . 1 . . . . 7 LEU CA . 16711 1 79 . 1 1 7 7 LEU CB C 13 43.801 0.16 . 1 . . . . 7 LEU CB . 16711 1 80 . 1 1 7 7 LEU CD1 C 13 25.488 0.16 . 2 . . . . 7 LEU CD1 . 16711 1 81 . 1 1 7 7 LEU CD2 C 13 23.239 0.16 . 2 . . . . 7 LEU CD2 . 16711 1 82 . 1 1 7 7 LEU CG C 13 26.039 0.16 . 1 . . . . 7 LEU CG . 16711 1 83 . 1 1 7 7 LEU N N 15 115.020 0.12 . 1 . . . . 7 LEU N . 16711 1 84 . 1 1 8 8 GLN H H 1 7.808 0.006 . 1 . . . . 8 GLN H . 16711 1 85 . 1 1 8 8 GLN HA H 1 3.485 0.006 . 1 . . . . 8 GLN HA . 16711 1 86 . 1 1 8 8 GLN HB2 H 1 1.710 0.006 . 2 . . . . 8 GLN HB2 . 16711 1 87 . 1 1 8 8 GLN HB3 H 1 1.190 0.006 . 2 . . . . 8 GLN HB3 . 16711 1 88 . 1 1 8 8 GLN HE21 H 1 6.964 0.006 . 2 . . . . 8 GLN HE21 . 16711 1 89 . 1 1 8 8 GLN HE22 H 1 7.102 0.006 . 2 . . . . 8 GLN HE22 . 16711 1 90 . 1 1 8 8 GLN HG2 H 1 2.333 0.006 . 2 . . . . 8 GLN HG2 . 16711 1 91 . 1 1 8 8 GLN HG3 H 1 2.462 0.006 . 2 . . . . 8 GLN HG3 . 16711 1 92 . 1 1 8 8 GLN CA C 13 58.476 0.16 . 1 . . . . 8 GLN CA . 16711 1 93 . 1 1 8 8 GLN CB C 13 29.596 0.16 . 1 . . . . 8 GLN CB . 16711 1 94 . 1 1 8 8 GLN CG C 13 36.177 0.16 . 1 . . . . 8 GLN CG . 16711 1 95 . 1 1 8 8 GLN N N 15 114.473 0.12 . 1 . . . . 8 GLN N . 16711 1 96 . 1 1 8 8 GLN NE2 N 15 108.912 0.12 . 1 . . . . 8 GLN NE2 . 16711 1 97 . 1 1 9 9 HIS H H 1 8.428 0.006 . 1 . . . . 9 HIS H . 16711 1 98 . 1 1 9 9 HIS HA H 1 4.152 0.006 . 1 . . . . 9 HIS HA . 16711 1 99 . 1 1 9 9 HIS HB2 H 1 3.160 0.006 . 2 . . . . 9 HIS HB2 . 16711 1 100 . 1 1 9 9 HIS HB3 H 1 3.309 0.006 . 2 . . . . 9 HIS HB3 . 16711 1 101 . 1 1 9 9 HIS HD2 H 1 7.017 0.006 . 1 . . . . 9 HIS HD2 . 16711 1 102 . 1 1 9 9 HIS HE1 H 1 8.399 0.006 . 1 . . . . 9 HIS HE1 . 16711 1 103 . 1 1 9 9 HIS CA C 13 57.299 0.16 . 1 . . . . 9 HIS CA . 16711 1 104 . 1 1 9 9 HIS CB C 13 26.616 0.16 . 1 . . . . 9 HIS CB . 16711 1 105 . 1 1 9 9 HIS CD2 C 13 118.953 0.16 . 1 . . . . 9 HIS CD2 . 16711 1 106 . 1 1 9 9 HIS CE1 C 13 135.486 0.16 . 1 . . . . 9 HIS CE1 . 16711 1 107 . 1 1 9 9 HIS N N 15 111.025 0.12 . 1 . . . . 9 HIS N . 16711 1 108 . 1 1 10 10 HIS H H 1 7.760 0.006 . 1 . . . . 10 HIS H . 16711 1 109 . 1 1 10 10 HIS HA H 1 5.575 0.006 . 1 . . . . 10 HIS HA . 16711 1 110 . 1 1 10 10 HIS HB2 H 1 3.265 0.006 . 2 . . . . 10 HIS HB2 . 16711 1 111 . 1 1 10 10 HIS HB3 H 1 2.445 0.006 . 2 . . . . 10 HIS HB3 . 16711 1 112 . 1 1 10 10 HIS HD2 H 1 6.874 0.006 . 1 . . . . 10 HIS HD2 . 16711 1 113 . 1 1 10 10 HIS HE1 H 1 8.312 0.006 . 1 . . . . 10 HIS HE1 . 16711 1 114 . 1 1 10 10 HIS CA C 13 54.790 0.16 . 1 . . . . 10 HIS CA . 16711 1 115 . 1 1 10 10 HIS CB C 13 32.748 0.16 . 1 . . . . 10 HIS CB . 16711 1 116 . 1 1 10 10 HIS CD2 C 13 120.677 0.16 . 1 . . . . 10 HIS CD2 . 16711 1 117 . 1 1 10 10 HIS CE1 C 13 136.043 0.16 . 1 . . . . 10 HIS CE1 . 16711 1 118 . 1 1 10 10 HIS N N 15 114.450 0.12 . 1 . . . . 10 HIS N . 16711 1 119 . 1 1 11 11 ARG H H 1 8.358 0.006 . 1 . . . . 11 ARG H . 16711 1 120 . 1 1 11 11 ARG HA H 1 4.889 0.006 . 1 . . . . 11 ARG HA . 16711 1 121 . 1 1 11 11 ARG HB2 H 1 1.573 0.006 . 2 . . . . 11 ARG QB . 16711 1 122 . 1 1 11 11 ARG HB3 H 1 1.573 0.006 . 2 . . . . 11 ARG QB . 16711 1 123 . 1 1 11 11 ARG HD2 H 1 3.054 0.006 . 2 . . . . 11 ARG QD . 16711 1 124 . 1 1 11 11 ARG HD3 H 1 3.054 0.006 . 2 . . . . 11 ARG QD . 16711 1 125 . 1 1 11 11 ARG HE H 1 7.358 0.006 . 1 . . . . 11 ARG HE . 16711 1 126 . 1 1 11 11 ARG HG2 H 1 1.385 0.006 . 2 . . . . 11 ARG HG2 . 16711 1 127 . 1 1 11 11 ARG HG3 H 1 1.120 0.006 . 2 . . . . 11 ARG HG3 . 16711 1 128 . 1 1 11 11 ARG HH11 H 1 6.340 0.006 . 2 . . . . 11 ARG HH1 . 16711 1 129 . 1 1 11 11 ARG HH12 H 1 6.340 0.006 . 2 . . . . 11 ARG HH1 . 16711 1 130 . 1 1 11 11 ARG HH21 H 1 7.040 0.006 . 2 . . . . 11 ARG HH2 . 16711 1 131 . 1 1 11 11 ARG HH22 H 1 7.040 0.006 . 2 . . . . 11 ARG HH2 . 16711 1 132 . 1 1 11 11 ARG CA C 13 54.588 0.16 . 1 . . . . 11 ARG CA . 16711 1 133 . 1 1 11 11 ARG CB C 13 33.859 0.16 . 1 . . . . 11 ARG CB . 16711 1 134 . 1 1 11 11 ARG CD C 13 43.851 0.16 . 1 . . . . 11 ARG CD . 16711 1 135 . 1 1 11 11 ARG CG C 13 29.444 0.16 . 1 . . . . 11 ARG CG . 16711 1 136 . 1 1 11 11 ARG N N 15 122.786 0.12 . 1 . . . . 11 ARG N . 16711 1 137 . 1 1 11 11 ARG NE N 15 85.548 0.12 . 1 . . . . 11 ARG NE . 16711 1 138 . 1 1 11 11 ARG NH1 N 15 70.046 0.12 . 2 . . . . 11 ARG NH1 . 16711 1 139 . 1 1 11 11 ARG NH2 N 15 71.562 0.12 . 2 . . . . 11 ARG NH2 . 16711 1 140 . 1 1 12 12 PHE H H 1 9.301 0.006 . 1 . . . . 12 PHE H . 16711 1 141 . 1 1 12 12 PHE HA H 1 5.249 0.006 . 1 . . . . 12 PHE HA . 16711 1 142 . 1 1 12 12 PHE HB2 H 1 2.851 0.006 . 2 . . . . 12 PHE HB2 . 16711 1 143 . 1 1 12 12 PHE HB3 H 1 2.693 0.006 . 2 . . . . 12 PHE HB3 . 16711 1 144 . 1 1 12 12 PHE HD1 H 1 6.932 0.006 . 3 . . . . 12 PHE QD . 16711 1 145 . 1 1 12 12 PHE HD2 H 1 6.932 0.006 . 3 . . . . 12 PHE QD . 16711 1 146 . 1 1 12 12 PHE HE1 H 1 6.952 0.006 . 3 . . . . 12 PHE QE . 16711 1 147 . 1 1 12 12 PHE HE2 H 1 6.952 0.006 . 3 . . . . 12 PHE QE . 16711 1 148 . 1 1 12 12 PHE HZ H 1 7.140 0.006 . 1 . . . . 12 PHE HZ . 16711 1 149 . 1 1 12 12 PHE CA C 13 56.087 0.16 . 1 . . . . 12 PHE CA . 16711 1 150 . 1 1 12 12 PHE CB C 13 42.425 0.16 . 1 . . . . 12 PHE CB . 16711 1 151 . 1 1 12 12 PHE CD1 C 13 131.558 0.16 . 3 . . . . 12 PHE CD1 . 16711 1 152 . 1 1 12 12 PHE CE1 C 13 128.290 0.16 . 3 . . . . 12 PHE CE1 . 16711 1 153 . 1 1 12 12 PHE CZ C 13 131.040 0.16 . 1 . . . . 12 PHE CZ . 16711 1 154 . 1 1 12 12 PHE N N 15 122.451 0.12 . 1 . . . . 12 PHE N . 16711 1 155 . 1 1 13 13 VAL H H 1 9.332 0.006 . 1 . . . . 13 VAL H . 16711 1 156 . 1 1 13 13 VAL HA H 1 5.030 0.006 . 1 . . . . 13 VAL HA . 16711 1 157 . 1 1 13 13 VAL HB H 1 1.957 0.006 . 1 . . . . 13 VAL HB . 16711 1 158 . 1 1 13 13 VAL HG11 H 1 0.982 0.006 . 1 . . . . 13 VAL QG1 . 16711 1 159 . 1 1 13 13 VAL HG12 H 1 0.982 0.006 . 1 . . . . 13 VAL QG1 . 16711 1 160 . 1 1 13 13 VAL HG13 H 1 0.982 0.006 . 1 . . . . 13 VAL QG1 . 16711 1 161 . 1 1 13 13 VAL HG21 H 1 0.958 0.006 . 1 . . . . 13 VAL QG2 . 16711 1 162 . 1 1 13 13 VAL HG22 H 1 0.958 0.006 . 1 . . . . 13 VAL QG2 . 16711 1 163 . 1 1 13 13 VAL HG23 H 1 0.958 0.006 . 1 . . . . 13 VAL QG2 . 16711 1 164 . 1 1 13 13 VAL CA C 13 60.768 0.16 . 1 . . . . 13 VAL CA . 16711 1 165 . 1 1 13 13 VAL CB C 13 35.152 0.16 . 1 . . . . 13 VAL CB . 16711 1 166 . 1 1 13 13 VAL CG1 C 13 21.815 0.16 . 2 . . . . 13 VAL CG1 . 16711 1 167 . 1 1 13 13 VAL CG2 C 13 21.296 0.16 . 2 . . . . 13 VAL CG2 . 16711 1 168 . 1 1 13 13 VAL N N 15 118.656 0.12 . 1 . . . . 13 VAL N . 16711 1 169 . 1 1 14 14 LEU H H 1 8.564 0.006 . 1 . . . . 14 LEU H . 16711 1 170 . 1 1 14 14 LEU HA H 1 3.451 0.006 . 1 . . . . 14 LEU HA . 16711 1 171 . 1 1 14 14 LEU HB2 H 1 0.829 0.006 . 2 . . . . 14 LEU HB2 . 16711 1 172 . 1 1 14 14 LEU HB3 H 1 1.569 0.006 . 2 . . . . 14 LEU HB3 . 16711 1 173 . 1 1 14 14 LEU HD11 H 1 0.072 0.006 . 1 . . . . 14 LEU QD1 . 16711 1 174 . 1 1 14 14 LEU HD12 H 1 0.072 0.006 . 1 . . . . 14 LEU QD1 . 16711 1 175 . 1 1 14 14 LEU HD13 H 1 0.072 0.006 . 1 . . . . 14 LEU QD1 . 16711 1 176 . 1 1 14 14 LEU HD21 H 1 0.562 0.006 . 1 . . . . 14 LEU QD2 . 16711 1 177 . 1 1 14 14 LEU HD22 H 1 0.562 0.006 . 1 . . . . 14 LEU QD2 . 16711 1 178 . 1 1 14 14 LEU HD23 H 1 0.562 0.006 . 1 . . . . 14 LEU QD2 . 16711 1 179 . 1 1 14 14 LEU HG H 1 1.044 0.006 . 1 . . . . 14 LEU HG . 16711 1 180 . 1 1 14 14 LEU CA C 13 57.026 0.16 . 1 . . . . 14 LEU CA . 16711 1 181 . 1 1 14 14 LEU CB C 13 43.765 0.16 . 1 . . . . 14 LEU CB . 16711 1 182 . 1 1 14 14 LEU CD1 C 13 22.183 0.16 . 2 . . . . 14 LEU CD1 . 16711 1 183 . 1 1 14 14 LEU CD2 C 13 28.161 0.16 . 2 . . . . 14 LEU CD2 . 16711 1 184 . 1 1 14 14 LEU CG C 13 26.733 0.16 . 1 . . . . 14 LEU CG . 16711 1 185 . 1 1 14 14 LEU N N 15 129.265 0.12 . 1 . . . . 14 LEU N . 16711 1 186 . 1 1 15 15 GLU H H 1 9.405 0.006 . 1 . . . . 15 GLU H . 16711 1 187 . 1 1 15 15 GLU HA H 1 4.558 0.006 . 1 . . . . 15 GLU HA . 16711 1 188 . 1 1 15 15 GLU HB2 H 1 1.813 0.006 . 2 . . . . 15 GLU HB2 . 16711 1 189 . 1 1 15 15 GLU HB3 H 1 1.869 0.006 . 2 . . . . 15 GLU HB3 . 16711 1 190 . 1 1 15 15 GLU HG2 H 1 2.183 0.006 . 2 . . . . 15 GLU HG2 . 16711 1 191 . 1 1 15 15 GLU HG3 H 1 2.029 0.006 . 2 . . . . 15 GLU HG3 . 16711 1 192 . 1 1 15 15 GLU CA C 13 57.483 0.16 . 1 . . . . 15 GLU CA . 16711 1 193 . 1 1 15 15 GLU CB C 13 33.436 0.16 . 1 . . . . 15 GLU CB . 16711 1 194 . 1 1 15 15 GLU CG C 13 37.171 0.16 . 1 . . . . 15 GLU CG . 16711 1 195 . 1 1 15 15 GLU N N 15 125.495 0.12 . 1 . . . . 15 GLU N . 16711 1 196 . 1 1 16 16 SER H H 1 8.051 0.006 . 1 . . . . 16 SER H . 16711 1 197 . 1 1 16 16 SER HA H 1 4.975 0.006 . 1 . . . . 16 SER HA . 16711 1 198 . 1 1 16 16 SER HB2 H 1 3.522 0.006 . 2 . . . . 16 SER HB2 . 16711 1 199 . 1 1 16 16 SER HB3 H 1 3.269 0.006 . 2 . . . . 16 SER HB3 . 16711 1 200 . 1 1 16 16 SER CA C 13 57.904 0.16 . 1 . . . . 16 SER CA . 16711 1 201 . 1 1 16 16 SER CB C 13 66.379 0.16 . 1 . . . . 16 SER CB . 16711 1 202 . 1 1 16 16 SER N N 15 112.253 0.12 . 1 . . . . 16 SER N . 16711 1 203 . 1 1 17 17 VAL H H 1 8.628 0.006 . 1 . . . . 17 VAL H . 16711 1 204 . 1 1 17 17 VAL HA H 1 4.626 0.006 . 1 . . . . 17 VAL HA . 16711 1 205 . 1 1 17 17 VAL HB H 1 1.801 0.006 . 1 . . . . 17 VAL HB . 16711 1 206 . 1 1 17 17 VAL HG11 H 1 0.861 0.006 . 1 . . . . 17 VAL QG1 . 16711 1 207 . 1 1 17 17 VAL HG12 H 1 0.861 0.006 . 1 . . . . 17 VAL QG1 . 16711 1 208 . 1 1 17 17 VAL HG13 H 1 0.861 0.006 . 1 . . . . 17 VAL QG1 . 16711 1 209 . 1 1 17 17 VAL HG21 H 1 0.817 0.006 . 1 . . . . 17 VAL QG2 . 16711 1 210 . 1 1 17 17 VAL HG22 H 1 0.817 0.006 . 1 . . . . 17 VAL QG2 . 16711 1 211 . 1 1 17 17 VAL HG23 H 1 0.817 0.006 . 1 . . . . 17 VAL QG2 . 16711 1 212 . 1 1 17 17 VAL CA C 13 60.341 0.16 . 1 . . . . 17 VAL CA . 16711 1 213 . 1 1 17 17 VAL CB C 13 34.230 0.16 . 1 . . . . 17 VAL CB . 16711 1 214 . 1 1 17 17 VAL CG1 C 13 20.124 0.16 . 2 . . . . 17 VAL CG1 . 16711 1 215 . 1 1 17 17 VAL CG2 C 13 22.040 0.16 . 2 . . . . 17 VAL CG2 . 16711 1 216 . 1 1 17 17 VAL N N 15 119.501 0.12 . 1 . . . . 17 VAL N . 16711 1 217 . 1 1 18 18 ASN H H 1 9.679 0.006 . 1 . . . . 18 ASN H . 16711 1 218 . 1 1 18 18 ASN HA H 1 4.347 0.006 . 1 . . . . 18 ASN HA . 16711 1 219 . 1 1 18 18 ASN HB2 H 1 2.957 0.006 . 2 . . . . 18 ASN HB2 . 16711 1 220 . 1 1 18 18 ASN HB3 H 1 2.847 0.006 . 2 . . . . 18 ASN HB3 . 16711 1 221 . 1 1 18 18 ASN HD21 H 1 7.630 0.006 . 2 . . . . 18 ASN HD21 . 16711 1 222 . 1 1 18 18 ASN HD22 H 1 6.883 0.006 . 2 . . . . 18 ASN HD22 . 16711 1 223 . 1 1 18 18 ASN CA C 13 55.145 0.16 . 1 . . . . 18 ASN CA . 16711 1 224 . 1 1 18 18 ASN CB C 13 37.639 0.16 . 1 . . . . 18 ASN CB . 16711 1 225 . 1 1 18 18 ASN N N 15 127.695 0.12 . 1 . . . . 18 ASN N . 16711 1 226 . 1 1 18 18 ASN ND2 N 15 114.055 0.12 . 1 . . . . 18 ASN ND2 . 16711 1 227 . 1 1 19 19 GLY H H 1 8.519 0.006 . 1 . . . . 19 GLY H . 16711 1 228 . 1 1 19 19 GLY HA2 H 1 4.084 0.006 . 2 . . . . 19 GLY HA2 . 16711 1 229 . 1 1 19 19 GLY HA3 H 1 3.507 0.006 . 2 . . . . 19 GLY HA3 . 16711 1 230 . 1 1 19 19 GLY CA C 13 45.591 0.16 . 1 . . . . 19 GLY CA . 16711 1 231 . 1 1 19 19 GLY N N 15 102.001 0.12 . 1 . . . . 19 GLY N . 16711 1 232 . 1 1 20 20 LYS H H 1 7.906 0.006 . 1 . . . . 20 LYS H . 16711 1 233 . 1 1 20 20 LYS HA H 1 4.835 0.006 . 1 . . . . 20 LYS HA . 16711 1 234 . 1 1 20 20 LYS HB2 H 1 1.813 0.006 . 2 . . . . 20 LYS HB2 . 16711 1 235 . 1 1 20 20 LYS HD2 H 1 1.661 0.006 . 2 . . . . 20 LYS QD . 16711 1 236 . 1 1 20 20 LYS HD3 H 1 1.661 0.006 . 2 . . . . 20 LYS QD . 16711 1 237 . 1 1 20 20 LYS HE2 H 1 2.901 0.006 . 2 . . . . 20 LYS HE2 . 16711 1 238 . 1 1 20 20 LYS HG2 H 1 1.372 0.006 . 2 . . . . 20 LYS HG2 . 16711 1 239 . 1 1 20 20 LYS HG3 H 1 1.437 0.006 . 2 . . . . 20 LYS HG3 . 16711 1 240 . 1 1 20 20 LYS CA C 13 53.100 0.16 . 1 . . . . 20 LYS CA . 16711 1 241 . 1 1 20 20 LYS CB C 13 33.484 0.16 . 1 . . . . 20 LYS CB . 16711 1 242 . 1 1 20 20 LYS CD C 13 29.235 0.16 . 1 . . . . 20 LYS CD . 16711 1 243 . 1 1 20 20 LYS CE C 13 42.420 0.16 . 1 . . . . 20 LYS CE . 16711 1 244 . 1 1 20 20 LYS CG C 13 24.931 0.16 . 1 . . . . 20 LYS CG . 16711 1 245 . 1 1 20 20 LYS N N 15 122.187 0.12 . 1 . . . . 20 LYS N . 16711 1 246 . 1 1 21 21 PRO HA H 1 4.564 0.006 . 1 . . . . 21 PRO HA . 16711 1 247 . 1 1 21 21 PRO HB2 H 1 2.287 0.006 . 2 . . . . 21 PRO HB2 . 16711 1 248 . 1 1 21 21 PRO HB3 H 1 1.781 0.006 . 2 . . . . 21 PRO HB3 . 16711 1 249 . 1 1 21 21 PRO HD2 H 1 3.852 0.006 . 2 . . . . 21 PRO HD2 . 16711 1 250 . 1 1 21 21 PRO HD3 H 1 3.607 0.006 . 2 . . . . 21 PRO HD3 . 16711 1 251 . 1 1 21 21 PRO HG2 H 1 1.979 0.006 . 2 . . . . 21 PRO HG2 . 16711 1 252 . 1 1 21 21 PRO HG3 H 1 1.940 0.006 . 2 . . . . 21 PRO HG3 . 16711 1 253 . 1 1 21 21 PRO CA C 13 62.991 0.16 . 1 . . . . 21 PRO CA . 16711 1 254 . 1 1 21 21 PRO CB C 13 32.830 0.16 . 1 . . . . 21 PRO CB . 16711 1 255 . 1 1 21 21 PRO CD C 13 51.155 0.16 . 1 . . . . 21 PRO CD . 16711 1 256 . 1 1 21 21 PRO CG C 13 27.719 0.16 . 1 . . . . 21 PRO CG . 16711 1 257 . 1 1 22 22 VAL H H 1 7.757 0.006 . 1 . . . . 22 VAL H . 16711 1 258 . 1 1 22 22 VAL HA H 1 4.202 0.006 . 1 . . . . 22 VAL HA . 16711 1 259 . 1 1 22 22 VAL HB H 1 1.685 0.006 . 1 . . . . 22 VAL HB . 16711 1 260 . 1 1 22 22 VAL HG11 H 1 0.657 0.006 . 1 . . . . 22 VAL QG1 . 16711 1 261 . 1 1 22 22 VAL HG12 H 1 0.657 0.006 . 1 . . . . 22 VAL QG1 . 16711 1 262 . 1 1 22 22 VAL HG13 H 1 0.657 0.006 . 1 . . . . 22 VAL QG1 . 16711 1 263 . 1 1 22 22 VAL HG21 H 1 0.665 0.006 . 1 . . . . 22 VAL QG2 . 16711 1 264 . 1 1 22 22 VAL HG22 H 1 0.665 0.006 . 1 . . . . 22 VAL QG2 . 16711 1 265 . 1 1 22 22 VAL HG23 H 1 0.665 0.006 . 1 . . . . 22 VAL QG2 . 16711 1 266 . 1 1 22 22 VAL CA C 13 61.459 0.16 . 1 . . . . 22 VAL CA . 16711 1 267 . 1 1 22 22 VAL CB C 13 33.518 0.16 . 1 . . . . 22 VAL CB . 16711 1 268 . 1 1 22 22 VAL CG1 C 13 21.126 0.16 . 2 . . . . 22 VAL CG1 . 16711 1 269 . 1 1 22 22 VAL CG2 C 13 21.340 0.16 . 2 . . . . 22 VAL CG2 . 16711 1 270 . 1 1 22 22 VAL N N 15 120.929 0.12 . 1 . . . . 22 VAL N . 16711 1 271 . 1 1 23 23 THR H H 1 8.453 0.006 . 1 . . . . 23 THR H . 16711 1 272 . 1 1 23 23 THR HA H 1 4.308 0.006 . 1 . . . . 23 THR HA . 16711 1 273 . 1 1 23 23 THR HB H 1 4.097 0.006 . 1 . . . . 23 THR HB . 16711 1 274 . 1 1 23 23 THR HG21 H 1 1.124 0.006 . 1 . . . . 23 THR QG2 . 16711 1 275 . 1 1 23 23 THR HG22 H 1 1.124 0.006 . 1 . . . . 23 THR QG2 . 16711 1 276 . 1 1 23 23 THR HG23 H 1 1.124 0.006 . 1 . . . . 23 THR QG2 . 16711 1 277 . 1 1 23 23 THR CA C 13 62.160 0.16 . 1 . . . . 23 THR CA . 16711 1 278 . 1 1 23 23 THR CB C 13 69.831 0.16 . 1 . . . . 23 THR CB . 16711 1 279 . 1 1 23 23 THR CG2 C 13 21.802 0.16 . 1 . . . . 23 THR CG2 . 16711 1 280 . 1 1 23 23 THR N N 15 120.920 0.12 . 1 . . . . 23 THR N . 16711 1 281 . 1 1 24 24 SER H H 1 8.225 0.006 . 1 . . . . 24 SER H . 16711 1 282 . 1 1 24 24 SER HA H 1 4.470 0.006 . 1 . . . . 24 SER HA . 16711 1 283 . 1 1 24 24 SER HB2 H 1 3.660 0.006 . 2 . . . . 24 SER HB2 . 16711 1 284 . 1 1 24 24 SER HB3 H 1 3.723 0.006 . 2 . . . . 24 SER HB3 . 16711 1 285 . 1 1 24 24 SER CA C 13 58.021 0.16 . 1 . . . . 24 SER CA . 16711 1 286 . 1 1 24 24 SER CB C 13 64.587 0.16 . 1 . . . . 24 SER CB . 16711 1 287 . 1 1 24 24 SER N N 15 118.333 0.12 . 1 . . . . 24 SER N . 16711 1 288 . 1 1 25 25 ASP H H 1 8.385 0.006 . 1 . . . . 25 ASP H . 16711 1 289 . 1 1 25 25 ASP HA H 1 4.546 0.006 . 1 . . . . 25 ASP HA . 16711 1 290 . 1 1 25 25 ASP HB2 H 1 2.616 0.006 . 2 . . . . 25 ASP QB . 16711 1 291 . 1 1 25 25 ASP HB3 H 1 2.616 0.006 . 2 . . . . 25 ASP QB . 16711 1 292 . 1 1 25 25 ASP CA C 13 54.671 0.16 . 1 . . . . 25 ASP CA . 16711 1 293 . 1 1 25 25 ASP CB C 13 41.985 0.16 . 1 . . . . 25 ASP CB . 16711 1 294 . 1 1 25 25 ASP N N 15 123.206 0.12 . 1 . . . . 25 ASP N . 16711 1 295 . 1 1 26 26 LYS H H 1 8.050 0.006 . 1 . . . . 26 LYS H . 16711 1 296 . 1 1 26 26 LYS HA H 1 4.200 0.006 . 1 . . . . 26 LYS HA . 16711 1 297 . 1 1 26 26 LYS HB2 H 1 1.695 0.006 . 2 . . . . 26 LYS HB2 . 16711 1 298 . 1 1 26 26 LYS HB3 H 1 1.759 0.006 . 2 . . . . 26 LYS HB3 . 16711 1 299 . 1 1 26 26 LYS HD3 H 1 1.597 0.006 . 2 . . . . 26 LYS HD3 . 16711 1 300 . 1 1 26 26 LYS HE2 H 1 2.923 0.006 . 2 . . . . 26 LYS QE . 16711 1 301 . 1 1 26 26 LYS HE3 H 1 2.923 0.006 . 2 . . . . 26 LYS QE . 16711 1 302 . 1 1 26 26 LYS HG2 H 1 1.338 0.006 . 2 . . . . 26 LYS QG . 16711 1 303 . 1 1 26 26 LYS HG3 H 1 1.338 0.006 . 2 . . . . 26 LYS QG . 16711 1 304 . 1 1 26 26 LYS CA C 13 56.853 0.16 . 1 . . . . 26 LYS CA . 16711 1 305 . 1 1 26 26 LYS CB C 13 33.403 0.16 . 1 . . . . 26 LYS CB . 16711 1 306 . 1 1 26 26 LYS CD C 13 29.247 0.16 . 1 . . . . 26 LYS CD . 16711 1 307 . 1 1 26 26 LYS CE C 13 42.510 0.16 . 1 . . . . 26 LYS CE . 16711 1 308 . 1 1 26 26 LYS CG C 13 24.889 0.16 . 1 . . . . 26 LYS CG . 16711 1 309 . 1 1 26 26 LYS N N 15 119.320 0.12 . 1 . . . . 26 LYS N . 16711 1 310 . 1 1 27 27 ASN H H 1 8.505 0.006 . 1 . . . . 27 ASN H . 16711 1 311 . 1 1 27 27 ASN HA H 1 4.788 0.006 . 1 . . . . 27 ASN HA . 16711 1 312 . 1 1 27 27 ASN HB2 H 1 2.629 0.006 . 2 . . . . 27 ASN HB2 . 16711 1 313 . 1 1 27 27 ASN HB3 H 1 2.671 0.006 . 2 . . . . 27 ASN HB3 . 16711 1 314 . 1 1 27 27 ASN HD21 H 1 7.601 0.006 . 2 . . . . 27 ASN HD21 . 16711 1 315 . 1 1 27 27 ASN HD22 H 1 6.787 0.006 . 2 . . . . 27 ASN HD22 . 16711 1 316 . 1 1 27 27 ASN CA C 13 52.233 0.16 . 1 . . . . 27 ASN CA . 16711 1 317 . 1 1 27 27 ASN CB C 13 38.902 0.16 . 1 . . . . 27 ASN CB . 16711 1 318 . 1 1 27 27 ASN N N 15 117.631 0.12 . 1 . . . . 27 ASN N . 16711 1 319 . 1 1 27 27 ASN ND2 N 15 113.528 0.12 . 1 . . . . 27 ASN ND2 . 16711 1 320 . 1 1 28 28 PRO HA H 1 4.610 0.006 . 1 . . . . 28 PRO HA . 16711 1 321 . 1 1 28 28 PRO HB2 H 1 1.980 0.006 . 2 . . . . 28 PRO HB2 . 16711 1 322 . 1 1 28 28 PRO HB3 H 1 2.251 0.006 . 2 . . . . 28 PRO HB3 . 16711 1 323 . 1 1 28 28 PRO HD3 H 1 3.571 0.006 . 2 . . . . 28 PRO HD3 . 16711 1 324 . 1 1 28 28 PRO HG2 H 1 1.960 0.006 . 2 . . . . 28 PRO QG . 16711 1 325 . 1 1 28 28 PRO HG3 H 1 1.960 0.006 . 2 . . . . 28 PRO QG . 16711 1 326 . 1 1 28 28 PRO CA C 13 61.981 0.16 . 1 . . . . 28 PRO CA . 16711 1 327 . 1 1 28 28 PRO CB C 13 31.457 0.16 . 1 . . . . 28 PRO CB . 16711 1 328 . 1 1 28 28 PRO CD C 13 50.944 0.16 . 1 . . . . 28 PRO CD . 16711 1 329 . 1 1 28 28 PRO CG C 13 27.736 0.16 . 1 . . . . 28 PRO CG . 16711 1 330 . 1 1 29 29 PRO HA H 1 4.390 0.006 . 1 . . . . 29 PRO HA . 16711 1 331 . 1 1 29 29 PRO HB2 H 1 1.870 0.006 . 2 . . . . 29 PRO HB2 . 16711 1 332 . 1 1 29 29 PRO HB3 H 1 3.199 0.006 . 2 . . . . 29 PRO HB3 . 16711 1 333 . 1 1 29 29 PRO HD2 H 1 3.907 0.006 . 2 . . . . 29 PRO HD2 . 16711 1 334 . 1 1 29 29 PRO HD3 H 1 3.455 0.006 . 2 . . . . 29 PRO HD3 . 16711 1 335 . 1 1 29 29 PRO HG2 H 1 1.725 0.006 . 2 . . . . 29 PRO HG2 . 16711 1 336 . 1 1 29 29 PRO HG3 H 1 1.812 0.006 . 2 . . . . 29 PRO HG3 . 16711 1 337 . 1 1 29 29 PRO CA C 13 63.978 0.16 . 1 . . . . 29 PRO CA . 16711 1 338 . 1 1 29 29 PRO CB C 13 33.168 0.16 . 1 . . . . 29 PRO CB . 16711 1 339 . 1 1 29 29 PRO CD C 13 50.941 0.16 . 1 . . . . 29 PRO CD . 16711 1 340 . 1 1 29 29 PRO CG C 13 28.283 0.16 . 1 . . . . 29 PRO CG . 16711 1 341 . 1 1 30 30 GLU H H 1 8.023 0.006 . 1 . . . . 30 GLU H . 16711 1 342 . 1 1 30 30 GLU HA H 1 5.780 0.006 . 1 . . . . 30 GLU HA . 16711 1 343 . 1 1 30 30 GLU HB2 H 1 2.161 0.006 . 2 . . . . 30 GLU HB2 . 16711 1 344 . 1 1 30 30 GLU HB3 H 1 1.947 0.006 . 2 . . . . 30 GLU HB3 . 16711 1 345 . 1 1 30 30 GLU HG2 H 1 2.301 0.006 . 2 . . . . 30 GLU HG2 . 16711 1 346 . 1 1 30 30 GLU HG3 H 1 2.058 0.006 . 2 . . . . 30 GLU HG3 . 16711 1 347 . 1 1 30 30 GLU CA C 13 54.796 0.16 . 1 . . . . 30 GLU CA . 16711 1 348 . 1 1 30 30 GLU CB C 13 34.970 0.16 . 1 . . . . 30 GLU CB . 16711 1 349 . 1 1 30 30 GLU CG C 13 35.035 0.16 . 1 . . . . 30 GLU CG . 16711 1 350 . 1 1 30 30 GLU N N 15 116.317 0.12 . 1 . . . . 30 GLU N . 16711 1 351 . 1 1 31 31 ILE H H 1 9.591 0.006 . 1 . . . . 31 ILE H . 16711 1 352 . 1 1 31 31 ILE HA H 1 4.818 0.006 . 1 . . . . 31 ILE HA . 16711 1 353 . 1 1 31 31 ILE HB H 1 1.450 0.006 . 1 . . . . 31 ILE HB . 16711 1 354 . 1 1 31 31 ILE HD11 H 1 0.552 0.006 . 1 . . . . 31 ILE QD1 . 16711 1 355 . 1 1 31 31 ILE HD12 H 1 0.552 0.006 . 1 . . . . 31 ILE QD1 . 16711 1 356 . 1 1 31 31 ILE HD13 H 1 0.552 0.006 . 1 . . . . 31 ILE QD1 . 16711 1 357 . 1 1 31 31 ILE HG12 H 1 1.386 0.006 . 2 . . . . 31 ILE HG12 . 16711 1 358 . 1 1 31 31 ILE HG13 H 1 0.435 0.006 . 2 . . . . 31 ILE HG13 . 16711 1 359 . 1 1 31 31 ILE HG21 H 1 -0.040 0.006 . 1 . . . . 31 ILE QG2 . 16711 1 360 . 1 1 31 31 ILE HG22 H 1 -0.040 0.006 . 1 . . . . 31 ILE QG2 . 16711 1 361 . 1 1 31 31 ILE HG23 H 1 -0.040 0.006 . 1 . . . . 31 ILE QG2 . 16711 1 362 . 1 1 31 31 ILE CA C 13 62.194 0.16 . 1 . . . . 31 ILE CA . 16711 1 363 . 1 1 31 31 ILE CB C 13 43.068 0.16 . 1 . . . . 31 ILE CB . 16711 1 364 . 1 1 31 31 ILE CD1 C 13 13.497 0.16 . 1 . . . . 31 ILE CD1 . 16711 1 365 . 1 1 31 31 ILE CG1 C 13 29.434 0.16 . 1 . . . . 31 ILE CG1 . 16711 1 366 . 1 1 31 31 ILE CG2 C 13 15.228 0.16 . 1 . . . . 31 ILE CG2 . 16711 1 367 . 1 1 31 31 ILE N N 15 124.758 0.12 . 1 . . . . 31 ILE N . 16711 1 368 . 1 1 32 32 SER H H 1 9.007 0.006 . 1 . . . . 32 SER H . 16711 1 369 . 1 1 32 32 SER HA H 1 5.299 0.006 . 1 . . . . 32 SER HA . 16711 1 370 . 1 1 32 32 SER HB2 H 1 3.567 0.006 . 2 . . . . 32 SER HB2 . 16711 1 371 . 1 1 32 32 SER HB3 H 1 3.622 0.006 . 2 . . . . 32 SER HB3 . 16711 1 372 . 1 1 32 32 SER CA C 13 57.471 0.16 . 1 . . . . 32 SER CA . 16711 1 373 . 1 1 32 32 SER CB C 13 66.361 0.16 . 1 . . . . 32 SER CB . 16711 1 374 . 1 1 32 32 SER N N 15 120.864 0.12 . 1 . . . . 32 SER N . 16711 1 375 . 1 1 33 33 PHE H H 1 7.800 0.006 . 1 . . . . 33 PHE H . 16711 1 376 . 1 1 33 33 PHE HA H 1 5.242 0.006 . 1 . . . . 33 PHE HA . 16711 1 377 . 1 1 33 33 PHE HB2 H 1 3.238 0.006 . 2 . . . . 33 PHE HB2 . 16711 1 378 . 1 1 33 33 PHE HB3 H 1 2.708 0.006 . 2 . . . . 33 PHE HB3 . 16711 1 379 . 1 1 33 33 PHE HD1 H 1 7.143 0.006 . 3 . . . . 33 PHE QD . 16711 1 380 . 1 1 33 33 PHE HD2 H 1 7.143 0.006 . 3 . . . . 33 PHE QD . 16711 1 381 . 1 1 33 33 PHE HE1 H 1 6.791 0.006 . 3 . . . . 33 PHE QE . 16711 1 382 . 1 1 33 33 PHE HE2 H 1 6.791 0.006 . 3 . . . . 33 PHE QE . 16711 1 383 . 1 1 33 33 PHE HZ H 1 6.542 0.006 . 1 . . . . 33 PHE HZ . 16711 1 384 . 1 1 33 33 PHE CA C 13 56.063 0.16 . 1 . . . . 33 PHE CA . 16711 1 385 . 1 1 33 33 PHE CB C 13 41.732 0.16 . 1 . . . . 33 PHE CB . 16711 1 386 . 1 1 33 33 PHE CD1 C 13 132.306 0.16 . 3 . . . . 33 PHE CD1 . 16711 1 387 . 1 1 33 33 PHE CE1 C 13 129.533 0.16 . 3 . . . . 33 PHE CE1 . 16711 1 388 . 1 1 33 33 PHE CZ C 13 126.738 0.16 . 1 . . . . 33 PHE CZ . 16711 1 389 . 1 1 33 33 PHE N N 15 117.991 0.12 . 1 . . . . 33 PHE N . 16711 1 390 . 1 1 34 34 GLY H H 1 9.487 0.006 . 1 . . . . 34 GLY H . 16711 1 391 . 1 1 34 34 GLY HA2 H 1 3.577 0.006 . 2 . . . . 34 GLY HA2 . 16711 1 392 . 1 1 34 34 GLY HA3 H 1 4.373 0.006 . 2 . . . . 34 GLY HA3 . 16711 1 393 . 1 1 34 34 GLY CA C 13 43.157 0.16 . 1 . . . . 34 GLY CA . 16711 1 394 . 1 1 34 34 GLY N N 15 115.011 0.12 . 1 . . . . 34 GLY N . 16711 1 395 . 1 1 35 35 GLU H H 1 8.239 0.006 . 1 . . . . 35 GLU H . 16711 1 396 . 1 1 35 35 GLU HA H 1 3.818 0.006 . 1 . . . . 35 GLU HA . 16711 1 397 . 1 1 35 35 GLU HB2 H 1 1.941 0.006 . 2 . . . . 35 GLU QB . 16711 1 398 . 1 1 35 35 GLU HB3 H 1 1.941 0.006 . 2 . . . . 35 GLU QB . 16711 1 399 . 1 1 35 35 GLU HG2 H 1 2.315 0.006 . 2 . . . . 35 GLU QG . 16711 1 400 . 1 1 35 35 GLU HG3 H 1 2.315 0.006 . 2 . . . . 35 GLU QG . 16711 1 401 . 1 1 35 35 GLU CA C 13 57.577 0.16 . 1 . . . . 35 GLU CA . 16711 1 402 . 1 1 35 35 GLU CB C 13 30.267 0.16 . 1 . . . . 35 GLU CB . 16711 1 403 . 1 1 35 35 GLU CG C 13 36.680 0.16 . 1 . . . . 35 GLU CG . 16711 1 404 . 1 1 35 35 GLU N N 15 117.502 0.12 . 1 . . . . 35 GLU N . 16711 1 405 . 1 1 36 36 LYS H H 1 8.780 0.006 . 1 . . . . 36 LYS H . 16711 1 406 . 1 1 36 36 LYS HA H 1 3.814 0.006 . 1 . . . . 36 LYS HA . 16711 1 407 . 1 1 36 36 LYS HB2 H 1 1.854 0.006 . 2 . . . . 36 LYS HB2 . 16711 1 408 . 1 1 36 36 LYS HB3 H 1 2.029 0.006 . 2 . . . . 36 LYS HB3 . 16711 1 409 . 1 1 36 36 LYS HD2 H 1 1.670 0.006 . 2 . . . . 36 LYS QD . 16711 1 410 . 1 1 36 36 LYS HD3 H 1 1.670 0.006 . 2 . . . . 36 LYS QD . 16711 1 411 . 1 1 36 36 LYS HE2 H 1 2.954 0.006 . 2 . . . . 36 LYS HE2 . 16711 1 412 . 1 1 36 36 LYS HE3 H 1 2.908 0.006 . 2 . . . . 36 LYS HE3 . 16711 1 413 . 1 1 36 36 LYS HG2 H 1 1.369 0.006 . 2 . . . . 36 LYS QG . 16711 1 414 . 1 1 36 36 LYS HG3 H 1 1.369 0.006 . 2 . . . . 36 LYS QG . 16711 1 415 . 1 1 36 36 LYS CA C 13 57.636 0.16 . 1 . . . . 36 LYS CA . 16711 1 416 . 1 1 36 36 LYS CB C 13 30.382 0.16 . 1 . . . . 36 LYS CB . 16711 1 417 . 1 1 36 36 LYS CD C 13 29.654 0.16 . 1 . . . . 36 LYS CD . 16711 1 418 . 1 1 36 36 LYS CE C 13 42.605 0.16 . 1 . . . . 36 LYS CE . 16711 1 419 . 1 1 36 36 LYS CG C 13 26.082 0.16 . 1 . . . . 36 LYS CG . 16711 1 420 . 1 1 36 36 LYS N N 15 119.552 0.12 . 1 . . . . 36 LYS N . 16711 1 421 . 1 1 37 37 MET H H 1 8.284 0.006 . 1 . . . . 37 MET H . 16711 1 422 . 1 1 37 37 MET HA H 1 4.132 0.006 . 1 . . . . 37 MET HA . 16711 1 423 . 1 1 37 37 MET HB2 H 1 2.461 0.006 . 2 . . . . 37 MET QB . 16711 1 424 . 1 1 37 37 MET HB3 H 1 2.461 0.006 . 2 . . . . 37 MET QB . 16711 1 425 . 1 1 37 37 MET HE1 H 1 1.649 0.006 . 1 . . . . 37 MET QE . 16711 1 426 . 1 1 37 37 MET HE2 H 1 1.649 0.006 . 1 . . . . 37 MET QE . 16711 1 427 . 1 1 37 37 MET HE3 H 1 1.649 0.006 . 1 . . . . 37 MET QE . 16711 1 428 . 1 1 37 37 MET HG2 H 1 2.601 0.006 . 2 . . . . 37 MET HG2 . 16711 1 429 . 1 1 37 37 MET HG3 H 1 2.541 0.006 . 2 . . . . 37 MET HG3 . 16711 1 430 . 1 1 37 37 MET CA C 13 54.523 0.16 . 1 . . . . 37 MET CA . 16711 1 431 . 1 1 37 37 MET CB C 13 27.640 0.16 . 1 . . . . 37 MET CB . 16711 1 432 . 1 1 37 37 MET CE C 13 16.605 0.16 . 1 . . . . 37 MET CE . 16711 1 433 . 1 1 37 37 MET CG C 13 33.544 0.16 . 1 . . . . 37 MET CG . 16711 1 434 . 1 1 37 37 MET N N 15 112.301 0.12 . 1 . . . . 37 MET N . 16711 1 435 . 1 1 38 38 MET H H 1 6.971 0.006 . 1 . . . . 38 MET H . 16711 1 436 . 1 1 38 38 MET HA H 1 4.635 0.006 . 1 . . . . 38 MET HA . 16711 1 437 . 1 1 38 38 MET HB2 H 1 1.956 0.006 . 2 . . . . 38 MET HB2 . 16711 1 438 . 1 1 38 38 MET HE1 H 1 2.018 0.006 . 1 . . . . 38 MET QE . 16711 1 439 . 1 1 38 38 MET HE2 H 1 2.018 0.006 . 1 . . . . 38 MET QE . 16711 1 440 . 1 1 38 38 MET HE3 H 1 2.018 0.006 . 1 . . . . 38 MET QE . 16711 1 441 . 1 1 38 38 MET HG2 H 1 2.692 0.006 . 2 . . . . 38 MET HG2 . 16711 1 442 . 1 1 38 38 MET HG3 H 1 2.553 0.006 . 2 . . . . 38 MET HG3 . 16711 1 443 . 1 1 38 38 MET CA C 13 56.356 0.16 . 1 . . . . 38 MET CA . 16711 1 444 . 1 1 38 38 MET CB C 13 31.517 0.16 . 1 . . . . 38 MET CB . 16711 1 445 . 1 1 38 38 MET CE C 13 16.973 0.16 . 1 . . . . 38 MET CE . 16711 1 446 . 1 1 38 38 MET CG C 13 32.691 0.16 . 1 . . . . 38 MET CG . 16711 1 447 . 1 1 38 38 MET N N 15 116.715 0.12 . 1 . . . . 38 MET N . 16711 1 448 . 1 1 39 39 ILE H H 1 9.075 0.006 . 1 . . . . 39 ILE H . 16711 1 449 . 1 1 39 39 ILE HA H 1 4.543 0.006 . 1 . . . . 39 ILE HA . 16711 1 450 . 1 1 39 39 ILE HB H 1 1.582 0.006 . 1 . . . . 39 ILE HB . 16711 1 451 . 1 1 39 39 ILE HD11 H 1 0.781 0.006 . 1 . . . . 39 ILE QD1 . 16711 1 452 . 1 1 39 39 ILE HD12 H 1 0.781 0.006 . 1 . . . . 39 ILE QD1 . 16711 1 453 . 1 1 39 39 ILE HD13 H 1 0.781 0.006 . 1 . . . . 39 ILE QD1 . 16711 1 454 . 1 1 39 39 ILE HG12 H 1 0.893 0.006 . 2 . . . . 39 ILE HG12 . 16711 1 455 . 1 1 39 39 ILE HG13 H 1 1.926 0.006 . 2 . . . . 39 ILE HG13 . 16711 1 456 . 1 1 39 39 ILE HG21 H 1 0.652 0.006 . 1 . . . . 39 ILE QG2 . 16711 1 457 . 1 1 39 39 ILE HG22 H 1 0.652 0.006 . 1 . . . . 39 ILE QG2 . 16711 1 458 . 1 1 39 39 ILE HG23 H 1 0.652 0.006 . 1 . . . . 39 ILE QG2 . 16711 1 459 . 1 1 39 39 ILE CA C 13 61.121 0.16 . 1 . . . . 39 ILE CA . 16711 1 460 . 1 1 39 39 ILE CB C 13 41.139 0.16 . 1 . . . . 39 ILE CB . 16711 1 461 . 1 1 39 39 ILE CD1 C 13 15.645 0.16 . 1 . . . . 39 ILE CD1 . 16711 1 462 . 1 1 39 39 ILE CG1 C 13 27.625 0.16 . 1 . . . . 39 ILE CG1 . 16711 1 463 . 1 1 39 39 ILE CG2 C 13 17.856 0.16 . 1 . . . . 39 ILE CG2 . 16711 1 464 . 1 1 39 39 ILE N N 15 128.462 0.12 . 1 . . . . 39 ILE N . 16711 1 465 . 1 1 40 40 SER H H 1 8.304 0.006 . 1 . . . . 40 SER H . 16711 1 466 . 1 1 40 40 SER HA H 1 4.974 0.006 . 1 . . . . 40 SER HA . 16711 1 467 . 1 1 40 40 SER HB2 H 1 3.626 0.006 . 2 . . . . 40 SER HB2 . 16711 1 468 . 1 1 40 40 SER HB3 H 1 3.583 0.006 . 2 . . . . 40 SER HB3 . 16711 1 469 . 1 1 40 40 SER CA C 13 57.080 0.16 . 1 . . . . 40 SER CA . 16711 1 470 . 1 1 40 40 SER CB C 13 66.039 0.16 . 1 . . . . 40 SER CB . 16711 1 471 . 1 1 40 40 SER N N 15 120.073 0.12 . 1 . . . . 40 SER N . 16711 1 472 . 1 1 41 41 GLY H H 1 7.398 0.006 . 1 . . . . 41 GLY H . 16711 1 473 . 1 1 41 41 GLY HA2 H 1 3.759 0.006 . 2 . . . . 41 GLY HA2 . 16711 1 474 . 1 1 41 41 GLY HA3 H 1 3.698 0.006 . 2 . . . . 41 GLY HA3 . 16711 1 475 . 1 1 41 41 GLY CA C 13 46.580 0.16 . 1 . . . . 41 GLY CA . 16711 1 476 . 1 1 41 41 GLY N N 15 107.645 0.12 . 1 . . . . 41 GLY N . 16711 1 477 . 1 1 42 42 SER H H 1 8.496 0.006 . 1 . . . . 42 SER H . 16711 1 478 . 1 1 42 42 SER HA H 1 5.294 0.006 . 1 . . . . 42 SER HA . 16711 1 479 . 1 1 42 42 SER HB2 H 1 3.607 0.006 . 2 . . . . 42 SER HB2 . 16711 1 480 . 1 1 42 42 SER HB3 H 1 3.445 0.006 . 2 . . . . 42 SER HB3 . 16711 1 481 . 1 1 42 42 SER CA C 13 57.744 0.16 . 1 . . . . 42 SER CA . 16711 1 482 . 1 1 42 42 SER CB C 13 65.449 0.16 . 1 . . . . 42 SER CB . 16711 1 483 . 1 1 42 42 SER N N 15 112.284 0.12 . 1 . . . . 42 SER N . 16711 1 484 . 1 1 43 43 MET H H 1 7.942 0.006 . 1 . . . . 43 MET H . 16711 1 485 . 1 1 43 43 MET HA H 1 4.441 0.006 . 1 . . . . 43 MET HA . 16711 1 486 . 1 1 43 43 MET HB2 H 1 3.237 0.006 . 2 . . . . 43 MET HB2 . 16711 1 487 . 1 1 43 43 MET HB3 H 1 1.875 0.006 . 2 . . . . 43 MET HB3 . 16711 1 488 . 1 1 43 43 MET HE1 H 1 2.024 0.006 . 1 . . . . 43 MET QE . 16711 1 489 . 1 1 43 43 MET HE2 H 1 2.024 0.006 . 1 . . . . 43 MET QE . 16711 1 490 . 1 1 43 43 MET HE3 H 1 2.024 0.006 . 1 . . . . 43 MET QE . 16711 1 491 . 1 1 43 43 MET HG2 H 1 2.977 0.006 . 2 . . . . 43 MET HG2 . 16711 1 492 . 1 1 43 43 MET HG3 H 1 2.351 0.006 . 2 . . . . 43 MET HG3 . 16711 1 493 . 1 1 43 43 MET CA C 13 56.699 0.16 . 1 . . . . 43 MET CA . 16711 1 494 . 1 1 43 43 MET CB C 13 32.382 0.16 . 1 . . . . 43 MET CB . 16711 1 495 . 1 1 43 43 MET CE C 13 20.934 0.16 . 1 . . . . 43 MET CE . 16711 1 496 . 1 1 43 43 MET CG C 13 33.604 0.16 . 1 . . . . 43 MET CG . 16711 1 497 . 1 1 43 43 MET N N 15 120.247 0.12 . 1 . . . . 43 MET N . 16711 1 498 . 1 1 44 44 CYS H H 1 8.395 0.006 . 1 . . . . 44 CYS H . 16711 1 499 . 1 1 44 44 CYS HA H 1 4.586 0.006 . 1 . . . . 44 CYS HA . 16711 1 500 . 1 1 44 44 CYS HB2 H 1 2.621 0.006 . 2 . . . . 44 CYS HB2 . 16711 1 501 . 1 1 44 44 CYS HB3 H 1 3.630 0.006 . 2 . . . . 44 CYS HB3 . 16711 1 502 . 1 1 44 44 CYS CA C 13 58.621 0.16 . 1 . . . . 44 CYS CA . 16711 1 503 . 1 1 44 44 CYS CB C 13 38.414 0.16 . 1 . . . . 44 CYS CB . 16711 1 504 . 1 1 44 44 CYS N N 15 121.735 0.12 . 1 . . . . 44 CYS N . 16711 1 505 . 1 1 45 45 ASN H H 1 9.744 0.006 . 1 . . . . 45 ASN H . 16711 1 506 . 1 1 45 45 ASN HA H 1 4.440 0.006 . 1 . . . . 45 ASN HA . 16711 1 507 . 1 1 45 45 ASN HB2 H 1 2.520 0.006 . 2 . . . . 45 ASN HB2 . 16711 1 508 . 1 1 45 45 ASN HB3 H 1 2.629 0.006 . 2 . . . . 45 ASN HB3 . 16711 1 509 . 1 1 45 45 ASN HD21 H 1 8.268 0.006 . 2 . . . . 45 ASN HD21 . 16711 1 510 . 1 1 45 45 ASN HD22 H 1 9.407 0.006 . 2 . . . . 45 ASN HD22 . 16711 1 511 . 1 1 45 45 ASN CA C 13 53.623 0.16 . 1 . . . . 45 ASN CA . 16711 1 512 . 1 1 45 45 ASN CB C 13 42.599 0.16 . 1 . . . . 45 ASN CB . 16711 1 513 . 1 1 45 45 ASN N N 15 118.986 0.12 . 1 . . . . 45 ASN N . 16711 1 514 . 1 1 45 45 ASN ND2 N 15 122.611 0.12 . 1 . . . . 45 ASN ND2 . 16711 1 515 . 1 1 46 46 ARG H H 1 7.729 0.006 . 1 . . . . 46 ARG H . 16711 1 516 . 1 1 46 46 ARG HA H 1 4.825 0.006 . 1 . . . . 46 ARG HA . 16711 1 517 . 1 1 46 46 ARG HB2 H 1 1.788 0.006 . 2 . . . . 46 ARG HB2 . 16711 1 518 . 1 1 46 46 ARG HB3 H 1 1.701 0.006 . 2 . . . . 46 ARG HB3 . 16711 1 519 . 1 1 46 46 ARG HD2 H 1 3.079 0.006 . 2 . . . . 46 ARG QD . 16711 1 520 . 1 1 46 46 ARG HD3 H 1 3.079 0.006 . 2 . . . . 46 ARG QD . 16711 1 521 . 1 1 46 46 ARG HE H 1 7.062 0.006 . 1 . . . . 46 ARG HE . 16711 1 522 . 1 1 46 46 ARG HG2 H 1 1.707 0.006 . 2 . . . . 46 ARG HG2 . 16711 1 523 . 1 1 46 46 ARG HG3 H 1 1.504 0.006 . 2 . . . . 46 ARG HG3 . 16711 1 524 . 1 1 46 46 ARG CA C 13 55.953 0.16 . 1 . . . . 46 ARG CA . 16711 1 525 . 1 1 46 46 ARG CB C 13 31.483 0.16 . 1 . . . . 46 ARG CB . 16711 1 526 . 1 1 46 46 ARG CD C 13 43.483 0.16 . 1 . . . . 46 ARG CD . 16711 1 527 . 1 1 46 46 ARG CG C 13 27.924 0.16 . 1 . . . . 46 ARG CG . 16711 1 528 . 1 1 46 46 ARG N N 15 119.218 0.12 . 1 . . . . 46 ARG N . 16711 1 529 . 1 1 46 46 ARG NE N 15 84.300 0.12 . 1 . . . . 46 ARG NE . 16711 1 530 . 1 1 47 47 PHE H H 1 8.310 0.006 . 1 . . . . 47 PHE H . 16711 1 531 . 1 1 47 47 PHE HA H 1 6.050 0.006 . 1 . . . . 47 PHE HA . 16711 1 532 . 1 1 47 47 PHE HB2 H 1 2.847 0.006 . 2 . . . . 47 PHE HB2 . 16711 1 533 . 1 1 47 47 PHE HB3 H 1 2.903 0.006 . 2 . . . . 47 PHE HB3 . 16711 1 534 . 1 1 47 47 PHE HD1 H 1 6.747 0.006 . 3 . . . . 47 PHE QD . 16711 1 535 . 1 1 47 47 PHE HD2 H 1 6.747 0.006 . 3 . . . . 47 PHE QD . 16711 1 536 . 1 1 47 47 PHE HE1 H 1 6.855 0.006 . 3 . . . . 47 PHE QE . 16711 1 537 . 1 1 47 47 PHE HE2 H 1 6.855 0.006 . 3 . . . . 47 PHE QE . 16711 1 538 . 1 1 47 47 PHE HZ H 1 7.090 0.006 . 1 . . . . 47 PHE HZ . 16711 1 539 . 1 1 47 47 PHE CA C 13 54.843 0.16 . 1 . . . . 47 PHE CA . 16711 1 540 . 1 1 47 47 PHE CB C 13 43.768 0.16 . 1 . . . . 47 PHE CB . 16711 1 541 . 1 1 47 47 PHE CD1 C 13 131.729 0.16 . 3 . . . . 47 PHE CD1 . 16711 1 542 . 1 1 47 47 PHE CD2 C 13 131.729 0.16 . 3 . . . . 47 PHE CD2 . 16711 1 543 . 1 1 47 47 PHE CE1 C 13 129.179 0.16 . 3 . . . . 47 PHE CE1 . 16711 1 544 . 1 1 47 47 PHE CE2 C 13 129.179 0.16 . 3 . . . . 47 PHE CE2 . 16711 1 545 . 1 1 47 47 PHE CZ C 13 128.556 0.16 . 1 . . . . 47 PHE CZ . 16711 1 546 . 1 1 47 47 PHE N N 15 118.392 0.12 . 1 . . . . 47 PHE N . 16711 1 547 . 1 1 48 48 SER H H 1 8.488 0.006 . 1 . . . . 48 SER H . 16711 1 548 . 1 1 48 48 SER HA H 1 5.296 0.006 . 1 . . . . 48 SER HA . 16711 1 549 . 1 1 48 48 SER HB2 H 1 3.863 0.006 . 2 . . . . 48 SER HB2 . 16711 1 550 . 1 1 48 48 SER CA C 13 57.248 0.16 . 1 . . . . 48 SER CA . 16711 1 551 . 1 1 48 48 SER CB C 13 66.106 0.16 . 1 . . . . 48 SER CB . 16711 1 552 . 1 1 48 48 SER N N 15 111.676 0.12 . 1 . . . . 48 SER N . 16711 1 553 . 1 1 49 49 GLY H H 1 8.584 0.006 . 1 . . . . 49 GLY H . 16711 1 554 . 1 1 49 49 GLY HA2 H 1 4.223 0.006 . 2 . . . . 49 GLY HA2 . 16711 1 555 . 1 1 49 49 GLY HA3 H 1 3.900 0.006 . 2 . . . . 49 GLY HA3 . 16711 1 556 . 1 1 49 49 GLY CA C 13 46.043 0.16 . 1 . . . . 49 GLY CA . 16711 1 557 . 1 1 49 49 GLY N N 15 107.562 0.12 . 1 . . . . 49 GLY N . 16711 1 558 . 1 1 50 50 GLU H H 1 8.619 0.006 . 1 . . . . 50 GLU H . 16711 1 559 . 1 1 50 50 GLU HA H 1 4.592 0.006 . 1 . . . . 50 GLU HA . 16711 1 560 . 1 1 50 50 GLU HB2 H 1 1.929 0.006 . 2 . . . . 50 GLU HB2 . 16711 1 561 . 1 1 50 50 GLU HB3 H 1 2.031 0.006 . 2 . . . . 50 GLU HB3 . 16711 1 562 . 1 1 50 50 GLU HG2 H 1 2.333 0.006 . 2 . . . . 50 GLU HG2 . 16711 1 563 . 1 1 50 50 GLU HG3 H 1 2.181 0.006 . 2 . . . . 50 GLU HG3 . 16711 1 564 . 1 1 50 50 GLU CA C 13 57.085 0.16 . 1 . . . . 50 GLU CA . 16711 1 565 . 1 1 50 50 GLU CB C 13 30.838 0.16 . 1 . . . . 50 GLU CB . 16711 1 566 . 1 1 50 50 GLU CG C 13 36.716 0.16 . 1 . . . . 50 GLU CG . 16711 1 567 . 1 1 50 50 GLU N N 15 121.386 0.12 . 1 . . . . 50 GLU N . 16711 1 568 . 1 1 51 51 GLY H H 1 8.427 0.006 . 1 . . . . 51 GLY H . 16711 1 569 . 1 1 51 51 GLY HA2 H 1 4.991 0.006 . 2 . . . . 51 GLY HA2 . 16711 1 570 . 1 1 51 51 GLY HA3 H 1 3.693 0.006 . 2 . . . . 51 GLY HA3 . 16711 1 571 . 1 1 51 51 GLY CA C 13 45.330 0.16 . 1 . . . . 51 GLY CA . 16711 1 572 . 1 1 51 51 GLY N N 15 114.840 0.12 . 1 . . . . 51 GLY N . 16711 1 573 . 1 1 52 52 LYS H H 1 8.700 0.006 . 1 . . . . 52 LYS H . 16711 1 574 . 1 1 52 52 LYS HA H 1 4.353 0.006 . 1 . . . . 52 LYS HA . 16711 1 575 . 1 1 52 52 LYS HB2 H 1 1.649 0.006 . 2 . . . . 52 LYS HB2 . 16711 1 576 . 1 1 52 52 LYS HD2 H 1 1.557 0.006 . 2 . . . . 52 LYS QD . 16711 1 577 . 1 1 52 52 LYS HD3 H 1 1.557 0.006 . 2 . . . . 52 LYS QD . 16711 1 578 . 1 1 52 52 LYS HE2 H 1 2.839 0.006 . 2 . . . . 52 LYS QE . 16711 1 579 . 1 1 52 52 LYS HE3 H 1 2.839 0.006 . 2 . . . . 52 LYS QE . 16711 1 580 . 1 1 52 52 LYS HG2 H 1 1.296 0.006 . 2 . . . . 52 LYS HG2 . 16711 1 581 . 1 1 52 52 LYS HG3 H 1 1.136 0.006 . 2 . . . . 52 LYS HG3 . 16711 1 582 . 1 1 52 52 LYS CA C 13 56.074 0.16 . 1 . . . . 52 LYS CA . 16711 1 583 . 1 1 52 52 LYS CB C 13 35.364 0.16 . 1 . . . . 52 LYS CB . 16711 1 584 . 1 1 52 52 LYS CD C 13 29.519 0.16 . 1 . . . . 52 LYS CD . 16711 1 585 . 1 1 52 52 LYS CE C 13 42.445 0.16 . 1 . . . . 52 LYS CE . 16711 1 586 . 1 1 52 52 LYS CG C 13 24.839 0.16 . 1 . . . . 52 LYS CG . 16711 1 587 . 1 1 52 52 LYS N N 15 120.206 0.12 . 1 . . . . 52 LYS N . 16711 1 588 . 1 1 53 53 LEU H H 1 8.722 0.006 . 1 . . . . 53 LEU H . 16711 1 589 . 1 1 53 53 LEU HA H 1 5.220 0.006 . 1 . . . . 53 LEU HA . 16711 1 590 . 1 1 53 53 LEU HB2 H 1 1.694 0.006 . 2 . . . . 53 LEU HB2 . 16711 1 591 . 1 1 53 53 LEU HB3 H 1 1.048 0.006 . 2 . . . . 53 LEU HB3 . 16711 1 592 . 1 1 53 53 LEU HD11 H 1 0.439 0.006 . 1 . . . . 53 LEU QD1 . 16711 1 593 . 1 1 53 53 LEU HD12 H 1 0.439 0.006 . 1 . . . . 53 LEU QD1 . 16711 1 594 . 1 1 53 53 LEU HD13 H 1 0.439 0.006 . 1 . . . . 53 LEU QD1 . 16711 1 595 . 1 1 53 53 LEU HD21 H 1 0.444 0.006 . 1 . . . . 53 LEU QD2 . 16711 1 596 . 1 1 53 53 LEU HD22 H 1 0.444 0.006 . 1 . . . . 53 LEU QD2 . 16711 1 597 . 1 1 53 53 LEU HD23 H 1 0.444 0.006 . 1 . . . . 53 LEU QD2 . 16711 1 598 . 1 1 53 53 LEU HG H 1 1.354 0.006 . 1 . . . . 53 LEU HG . 16711 1 599 . 1 1 53 53 LEU CA C 13 53.226 0.16 . 1 . . . . 53 LEU CA . 16711 1 600 . 1 1 53 53 LEU CB C 13 45.114 0.16 . 1 . . . . 53 LEU CB . 16711 1 601 . 1 1 53 53 LEU CD1 C 13 24.259 0.16 . 2 . . . . 53 LEU CD1 . 16711 1 602 . 1 1 53 53 LEU CD2 C 13 26.011 0.16 . 2 . . . . 53 LEU CD2 . 16711 1 603 . 1 1 53 53 LEU CG C 13 27.339 0.16 . 1 . . . . 53 LEU CG . 16711 1 604 . 1 1 53 53 LEU N N 15 127.638 0.12 . 1 . . . . 53 LEU N . 16711 1 605 . 1 1 54 54 SER H H 1 8.665 0.006 . 1 . . . . 54 SER H . 16711 1 606 . 1 1 54 54 SER HA H 1 4.610 0.006 . 1 . . . . 54 SER HA . 16711 1 607 . 1 1 54 54 SER HB2 H 1 3.559 0.006 . 2 . . . . 54 SER HB2 . 16711 1 608 . 1 1 54 54 SER HB3 H 1 3.699 0.006 . 2 . . . . 54 SER HB3 . 16711 1 609 . 1 1 54 54 SER CA C 13 57.015 0.16 . 1 . . . . 54 SER CA . 16711 1 610 . 1 1 54 54 SER CB C 13 64.346 0.16 . 1 . . . . 54 SER CB . 16711 1 611 . 1 1 54 54 SER N N 15 119.892 0.12 . 1 . . . . 54 SER N . 16711 1 612 . 1 1 55 55 ASN H H 1 9.532 0.006 . 1 . . . . 55 ASN H . 16711 1 613 . 1 1 55 55 ASN HA H 1 4.387 0.006 . 1 . . . . 55 ASN HA . 16711 1 614 . 1 1 55 55 ASN HB2 H 1 2.645 0.006 . 2 . . . . 55 ASN HB2 . 16711 1 615 . 1 1 55 55 ASN HB3 H 1 3.012 0.006 . 2 . . . . 55 ASN HB3 . 16711 1 616 . 1 1 55 55 ASN HD21 H 1 6.774 0.006 . 2 . . . . 55 ASN HD21 . 16711 1 617 . 1 1 55 55 ASN HD22 H 1 7.522 0.006 . 2 . . . . 55 ASN HD22 . 16711 1 618 . 1 1 55 55 ASN CA C 13 54.875 0.16 . 1 . . . . 55 ASN CA . 16711 1 619 . 1 1 55 55 ASN CB C 13 38.228 0.16 . 1 . . . . 55 ASN CB . 16711 1 620 . 1 1 55 55 ASN N N 15 127.655 0.12 . 1 . . . . 55 ASN N . 16711 1 621 . 1 1 55 55 ASN ND2 N 15 113.140 0.12 . 1 . . . . 55 ASN ND2 . 16711 1 622 . 1 1 56 56 GLY H H 1 8.937 0.006 . 1 . . . . 56 GLY H . 16711 1 623 . 1 1 56 56 GLY HA2 H 1 4.209 0.006 . 2 . . . . 56 GLY HA2 . 16711 1 624 . 1 1 56 56 GLY HA3 H 1 3.379 0.006 . 2 . . . . 56 GLY HA3 . 16711 1 625 . 1 1 56 56 GLY CA C 13 46.423 0.16 . 1 . . . . 56 GLY CA . 16711 1 626 . 1 1 56 56 GLY N N 15 104.394 0.12 . 1 . . . . 56 GLY N . 16711 1 627 . 1 1 57 57 GLU H H 1 7.737 0.006 . 1 . . . . 57 GLU H . 16711 1 628 . 1 1 57 57 GLU HA H 1 4.882 0.006 . 1 . . . . 57 GLU HA . 16711 1 629 . 1 1 57 57 GLU HB2 H 1 1.992 0.006 . 2 . . . . 57 GLU HB2 . 16711 1 630 . 1 1 57 57 GLU HB3 H 1 1.839 0.006 . 2 . . . . 57 GLU HB3 . 16711 1 631 . 1 1 57 57 GLU HG2 H 1 1.771 0.006 . 2 . . . . 57 GLU HG2 . 16711 1 632 . 1 1 57 57 GLU HG3 H 1 1.922 0.006 . 2 . . . . 57 GLU HG3 . 16711 1 633 . 1 1 57 57 GLU CA C 13 54.741 0.16 . 1 . . . . 57 GLU CA . 16711 1 634 . 1 1 57 57 GLU CB C 13 32.778 0.16 . 1 . . . . 57 GLU CB . 16711 1 635 . 1 1 57 57 GLU CG C 13 37.274 0.16 . 1 . . . . 57 GLU CG . 16711 1 636 . 1 1 57 57 GLU N N 15 119.484 0.12 . 1 . . . . 57 GLU N . 16711 1 637 . 1 1 58 58 LEU H H 1 9.528 0.006 . 1 . . . . 58 LEU H . 16711 1 638 . 1 1 58 58 LEU HA H 1 5.339 0.006 . 1 . . . . 58 LEU HA . 16711 1 639 . 1 1 58 58 LEU HB2 H 1 1.684 0.006 . 2 . . . . 58 LEU HB2 . 16711 1 640 . 1 1 58 58 LEU HB3 H 1 1.011 0.006 . 2 . . . . 58 LEU HB3 . 16711 1 641 . 1 1 58 58 LEU HD11 H 1 0.703 0.006 . 1 . . . . 58 LEU QD1 . 16711 1 642 . 1 1 58 58 LEU HD12 H 1 0.703 0.006 . 1 . . . . 58 LEU QD1 . 16711 1 643 . 1 1 58 58 LEU HD13 H 1 0.703 0.006 . 1 . . . . 58 LEU QD1 . 16711 1 644 . 1 1 58 58 LEU HD21 H 1 0.782 0.006 . 1 . . . . 58 LEU QD2 . 16711 1 645 . 1 1 58 58 LEU HD22 H 1 0.782 0.006 . 1 . . . . 58 LEU QD2 . 16711 1 646 . 1 1 58 58 LEU HD23 H 1 0.782 0.006 . 1 . . . . 58 LEU QD2 . 16711 1 647 . 1 1 58 58 LEU HG H 1 1.272 0.006 . 1 . . . . 58 LEU HG . 16711 1 648 . 1 1 58 58 LEU CA C 13 53.651 0.16 . 1 . . . . 58 LEU CA . 16711 1 649 . 1 1 58 58 LEU CB C 13 46.210 0.16 . 1 . . . . 58 LEU CB . 16711 1 650 . 1 1 58 58 LEU CD1 C 13 27.250 0.16 . 2 . . . . 58 LEU CD1 . 16711 1 651 . 1 1 58 58 LEU CD2 C 13 23.910 0.16 . 2 . . . . 58 LEU CD2 . 16711 1 652 . 1 1 58 58 LEU CG C 13 27.470 0.16 . 1 . . . . 58 LEU CG . 16711 1 653 . 1 1 58 58 LEU N N 15 130.730 0.12 . 1 . . . . 58 LEU N . 16711 1 654 . 1 1 59 59 THR H H 1 8.763 0.006 . 1 . . . . 59 THR H . 16711 1 655 . 1 1 59 59 THR HA H 1 5.027 0.006 . 1 . . . . 59 THR HA . 16711 1 656 . 1 1 59 59 THR HB H 1 4.092 0.006 . 1 . . . . 59 THR HB . 16711 1 657 . 1 1 59 59 THR HG21 H 1 1.023 0.006 . 1 . . . . 59 THR QG2 . 16711 1 658 . 1 1 59 59 THR HG22 H 1 1.023 0.006 . 1 . . . . 59 THR QG2 . 16711 1 659 . 1 1 59 59 THR HG23 H 1 1.023 0.006 . 1 . . . . 59 THR QG2 . 16711 1 660 . 1 1 59 59 THR CA C 13 59.635 0.16 . 1 . . . . 59 THR CA . 16711 1 661 . 1 1 59 59 THR CB C 13 73.662 0.16 . 1 . . . . 59 THR CB . 16711 1 662 . 1 1 59 59 THR CG2 C 13 22.943 0.16 . 1 . . . . 59 THR CG2 . 16711 1 663 . 1 1 59 59 THR N N 15 115.733 0.12 . 1 . . . . 59 THR N . 16711 1 664 . 1 1 60 60 ALA H H 1 8.308 0.006 . 1 . . . . 60 ALA H . 16711 1 665 . 1 1 60 60 ALA HA H 1 5.022 0.006 . 1 . . . . 60 ALA HA . 16711 1 666 . 1 1 60 60 ALA HB1 H 1 1.058 0.006 . 1 . . . . 60 ALA QB . 16711 1 667 . 1 1 60 60 ALA HB2 H 1 1.058 0.006 . 1 . . . . 60 ALA QB . 16711 1 668 . 1 1 60 60 ALA HB3 H 1 1.058 0.006 . 1 . . . . 60 ALA QB . 16711 1 669 . 1 1 60 60 ALA CA C 13 51.492 0.16 . 1 . . . . 60 ALA CA . 16711 1 670 . 1 1 60 60 ALA CB C 13 22.545 0.16 . 1 . . . . 60 ALA CB . 16711 1 671 . 1 1 60 60 ALA N N 15 119.582 0.12 . 1 . . . . 60 ALA N . 16711 1 672 . 1 1 61 61 LYS H H 1 8.659 0.006 . 1 . . . . 61 LYS H . 16711 1 673 . 1 1 61 61 LYS HA H 1 4.348 0.006 . 1 . . . . 61 LYS HA . 16711 1 674 . 1 1 61 61 LYS HB2 H 1 1.735 0.006 . 2 . . . . 61 LYS HB2 . 16711 1 675 . 1 1 61 61 LYS HB3 H 1 1.812 0.006 . 2 . . . . 61 LYS HB3 . 16711 1 676 . 1 1 61 61 LYS HD2 H 1 1.617 0.006 . 2 . . . . 61 LYS QD . 16711 1 677 . 1 1 61 61 LYS HD3 H 1 1.617 0.006 . 2 . . . . 61 LYS QD . 16711 1 678 . 1 1 61 61 LYS HE2 H 1 2.890 0.006 . 2 . . . . 61 LYS QE . 16711 1 679 . 1 1 61 61 LYS HE3 H 1 2.890 0.006 . 2 . . . . 61 LYS QE . 16711 1 680 . 1 1 61 61 LYS HG2 H 1 1.405 0.006 . 2 . . . . 61 LYS QG . 16711 1 681 . 1 1 61 61 LYS HG3 H 1 1.405 0.006 . 2 . . . . 61 LYS QG . 16711 1 682 . 1 1 61 61 LYS CA C 13 56.397 0.16 . 1 . . . . 61 LYS CA . 16711 1 683 . 1 1 61 61 LYS CB C 13 34.057 0.16 . 1 . . . . 61 LYS CB . 16711 1 684 . 1 1 61 61 LYS CD C 13 29.541 0.16 . 1 . . . . 61 LYS CD . 16711 1 685 . 1 1 61 61 LYS CE C 13 42.538 0.16 . 1 . . . . 61 LYS CE . 16711 1 686 . 1 1 61 61 LYS CG C 13 25.390 0.16 . 1 . . . . 61 LYS CG . 16711 1 687 . 1 1 61 61 LYS N N 15 122.305 0.12 . 1 . . . . 61 LYS N . 16711 1 688 . 1 1 62 62 GLY H H 1 8.400 0.006 . 1 . . . . 62 GLY H . 16711 1 689 . 1 1 62 62 GLY HA2 H 1 3.911 0.006 . 2 . . . . 62 GLY HA2 . 16711 1 690 . 1 1 62 62 GLY HA3 H 1 3.713 0.006 . 2 . . . . 62 GLY HA3 . 16711 1 691 . 1 1 62 62 GLY CA C 13 46.587 0.16 . 1 . . . . 62 GLY CA . 16711 1 692 . 1 1 62 62 GLY N N 15 109.859 0.12 . 1 . . . . 62 GLY N . 16711 1 693 . 1 1 63 63 LEU H H 1 7.837 0.006 . 1 . . . . 63 LEU H . 16711 1 694 . 1 1 63 63 LEU HA H 1 4.452 0.006 . 1 . . . . 63 LEU HA . 16711 1 695 . 1 1 63 63 LEU HB2 H 1 1.335 0.006 . 2 . . . . 63 LEU HB2 . 16711 1 696 . 1 1 63 63 LEU HB3 H 1 1.493 0.006 . 2 . . . . 63 LEU HB3 . 16711 1 697 . 1 1 63 63 LEU HD11 H 1 0.551 0.006 . 1 . . . . 63 LEU QD1 . 16711 1 698 . 1 1 63 63 LEU HD12 H 1 0.551 0.006 . 1 . . . . 63 LEU QD1 . 16711 1 699 . 1 1 63 63 LEU HD13 H 1 0.551 0.006 . 1 . . . . 63 LEU QD1 . 16711 1 700 . 1 1 63 63 LEU HD21 H 1 0.568 0.006 . 1 . . . . 63 LEU QD2 . 16711 1 701 . 1 1 63 63 LEU HD22 H 1 0.568 0.006 . 1 . . . . 63 LEU QD2 . 16711 1 702 . 1 1 63 63 LEU HD23 H 1 0.568 0.006 . 1 . . . . 63 LEU QD2 . 16711 1 703 . 1 1 63 63 LEU HG H 1 1.445 0.006 . 1 . . . . 63 LEU HG . 16711 1 704 . 1 1 63 63 LEU CA C 13 55.714 0.16 . 1 . . . . 63 LEU CA . 16711 1 705 . 1 1 63 63 LEU CB C 13 43.642 0.16 . 1 . . . . 63 LEU CB . 16711 1 706 . 1 1 63 63 LEU CD1 C 13 25.024 0.16 . 2 . . . . 63 LEU CD1 . 16711 1 707 . 1 1 63 63 LEU CD2 C 13 25.176 0.16 . 2 . . . . 63 LEU CD2 . 16711 1 708 . 1 1 63 63 LEU CG C 13 27.148 0.16 . 1 . . . . 63 LEU CG . 16711 1 709 . 1 1 63 63 LEU N N 15 120.748 0.12 . 1 . . . . 63 LEU N . 16711 1 710 . 1 1 64 64 ALA H H 1 8.972 0.006 . 1 . . . . 64 ALA H . 16711 1 711 . 1 1 64 64 ALA HA H 1 4.643 0.006 . 1 . . . . 64 ALA HA . 16711 1 712 . 1 1 64 64 ALA HB1 H 1 1.335 0.006 . 1 . . . . 64 ALA QB . 16711 1 713 . 1 1 64 64 ALA HB2 H 1 1.335 0.006 . 1 . . . . 64 ALA QB . 16711 1 714 . 1 1 64 64 ALA HB3 H 1 1.335 0.006 . 1 . . . . 64 ALA QB . 16711 1 715 . 1 1 64 64 ALA CA C 13 51.446 0.16 . 1 . . . . 64 ALA CA . 16711 1 716 . 1 1 64 64 ALA CB C 13 20.792 0.16 . 1 . . . . 64 ALA CB . 16711 1 717 . 1 1 64 64 ALA N N 15 130.501 0.12 . 1 . . . . 64 ALA N . 16711 1 718 . 1 1 65 65 MET H H 1 8.232 0.006 . 1 . . . . 65 MET H . 16711 1 719 . 1 1 65 65 MET HA H 1 5.465 0.006 . 1 . . . . 65 MET HA . 16711 1 720 . 1 1 65 65 MET HB2 H 1 1.857 0.006 . 2 . . . . 65 MET HB2 . 16711 1 721 . 1 1 65 65 MET HB3 H 1 1.929 0.006 . 2 . . . . 65 MET HB3 . 16711 1 722 . 1 1 65 65 MET HE1 H 1 1.848 0.006 . 1 . . . . 65 MET QE . 16711 1 723 . 1 1 65 65 MET HE2 H 1 1.848 0.006 . 1 . . . . 65 MET QE . 16711 1 724 . 1 1 65 65 MET HE3 H 1 1.848 0.006 . 1 . . . . 65 MET QE . 16711 1 725 . 1 1 65 65 MET HG2 H 1 2.820 0.006 . 2 . . . . 65 MET HG2 . 16711 1 726 . 1 1 65 65 MET HG3 H 1 2.385 0.006 . 2 . . . . 65 MET HG3 . 16711 1 727 . 1 1 65 65 MET CA C 13 55.267 0.16 . 1 . . . . 65 MET CA . 16711 1 728 . 1 1 65 65 MET CB C 13 37.610 0.16 . 1 . . . . 65 MET CB . 16711 1 729 . 1 1 65 65 MET CE C 13 17.209 0.16 . 1 . . . . 65 MET CE . 16711 1 730 . 1 1 65 65 MET CG C 13 31.840 0.16 . 1 . . . . 65 MET CG . 16711 1 731 . 1 1 65 65 MET N N 15 121.384 0.12 . 1 . . . . 65 MET N . 16711 1 732 . 1 1 66 66 THR H H 1 7.910 0.006 . 1 . . . . 66 THR H . 16711 1 733 . 1 1 66 66 THR HA H 1 4.318 0.006 . 1 . . . . 66 THR HA . 16711 1 734 . 1 1 66 66 THR HB H 1 4.603 0.006 . 1 . . . . 66 THR HB . 16711 1 735 . 1 1 66 66 THR HG21 H 1 1.271 0.006 . 1 . . . . 66 THR QG2 . 16711 1 736 . 1 1 66 66 THR HG22 H 1 1.271 0.006 . 1 . . . . 66 THR QG2 . 16711 1 737 . 1 1 66 66 THR HG23 H 1 1.271 0.006 . 1 . . . . 66 THR QG2 . 16711 1 738 . 1 1 66 66 THR CA C 13 63.199 0.16 . 1 . . . . 66 THR CA . 16711 1 739 . 1 1 66 66 THR CB C 13 70.092 0.16 . 1 . . . . 66 THR CB . 16711 1 740 . 1 1 66 66 THR CG2 C 13 22.389 0.16 . 1 . . . . 66 THR CG2 . 16711 1 741 . 1 1 66 66 THR N N 15 114.482 0.12 . 1 . . . . 66 THR N . 16711 1 742 . 1 1 67 67 ARG H H 1 8.347 0.006 . 1 . . . . 67 ARG H . 16711 1 743 . 1 1 67 67 ARG HA H 1 4.563 0.006 . 1 . . . . 67 ARG HA . 16711 1 744 . 1 1 67 67 ARG HB2 H 1 1.997 0.006 . 2 . . . . 67 ARG HB2 . 16711 1 745 . 1 1 67 67 ARG HB3 H 1 1.473 0.006 . 2 . . . . 67 ARG HB3 . 16711 1 746 . 1 1 67 67 ARG HD2 H 1 3.102 0.006 . 2 . . . . 67 ARG QD . 16711 1 747 . 1 1 67 67 ARG HD3 H 1 3.102 0.006 . 2 . . . . 67 ARG QD . 16711 1 748 . 1 1 67 67 ARG HE H 1 7.059 0.006 . 1 . . . . 67 ARG HE . 16711 1 749 . 1 1 67 67 ARG HG2 H 1 1.547 0.006 . 2 . . . . 67 ARG HG2 . 16711 1 750 . 1 1 67 67 ARG HG3 H 1 1.420 0.006 . 2 . . . . 67 ARG HG3 . 16711 1 751 . 1 1 67 67 ARG CA C 13 55.203 0.16 . 1 . . . . 67 ARG CA . 16711 1 752 . 1 1 67 67 ARG CB C 13 30.496 0.16 . 1 . . . . 67 ARG CB . 16711 1 753 . 1 1 67 67 ARG CD C 13 43.658 0.16 . 1 . . . . 67 ARG CD . 16711 1 754 . 1 1 67 67 ARG CG C 13 27.112 0.16 . 1 . . . . 67 ARG CG . 16711 1 755 . 1 1 67 67 ARG N N 15 118.643 0.12 . 1 . . . . 67 ARG N . 16711 1 756 . 1 1 67 67 ARG NE N 15 85.080 0.12 . 1 . . . . 67 ARG NE . 16711 1 757 . 1 1 68 68 MET H H 1 9.071 0.006 . 1 . . . . 68 MET H . 16711 1 758 . 1 1 68 68 MET HA H 1 4.442 0.006 . 1 . . . . 68 MET HA . 16711 1 759 . 1 1 68 68 MET HB2 H 1 2.065 0.006 . 2 . . . . 68 MET HB2 . 16711 1 760 . 1 1 68 68 MET HB3 H 1 1.983 0.006 . 2 . . . . 68 MET HB3 . 16711 1 761 . 1 1 68 68 MET HE1 H 1 2.055 0.006 . 1 . . . . 68 MET QE . 16711 1 762 . 1 1 68 68 MET HE2 H 1 2.055 0.006 . 1 . . . . 68 MET QE . 16711 1 763 . 1 1 68 68 MET HE3 H 1 2.055 0.006 . 1 . . . . 68 MET QE . 16711 1 764 . 1 1 68 68 MET HG2 H 1 2.542 0.006 . 2 . . . . 68 MET HG2 . 16711 1 765 . 1 1 68 68 MET HG3 H 1 2.493 0.006 . 2 . . . . 68 MET HG3 . 16711 1 766 . 1 1 68 68 MET CA C 13 55.939 0.16 . 1 . . . . 68 MET CA . 16711 1 767 . 1 1 68 68 MET CB C 13 33.700 0.16 . 1 . . . . 68 MET CB . 16711 1 768 . 1 1 68 68 MET CE C 13 17.600 0.16 . 1 . . . . 68 MET CE . 16711 1 769 . 1 1 68 68 MET CG C 13 32.640 0.16 . 1 . . . . 68 MET CG . 16711 1 770 . 1 1 68 68 MET N N 15 121.595 0.12 . 1 . . . . 68 MET N . 16711 1 771 . 1 1 69 69 MET H H 1 8.525 0.006 . 1 . . . . 69 MET H . 16711 1 772 . 1 1 69 69 MET HA H 1 4.647 0.006 . 1 . . . . 69 MET HA . 16711 1 773 . 1 1 69 69 MET HB2 H 1 1.899 0.006 . 2 . . . . 69 MET HB2 . 16711 1 774 . 1 1 69 69 MET HE1 H 1 1.996 0.006 . 1 . . . . 69 MET QE . 16711 1 775 . 1 1 69 69 MET HE2 H 1 1.996 0.006 . 1 . . . . 69 MET QE . 16711 1 776 . 1 1 69 69 MET HE3 H 1 1.996 0.006 . 1 . . . . 69 MET QE . 16711 1 777 . 1 1 69 69 MET HG2 H 1 2.485 0.006 . 2 . . . . 69 MET HG2 . 16711 1 778 . 1 1 69 69 MET HG3 H 1 2.443 0.006 . 2 . . . . 69 MET HG3 . 16711 1 779 . 1 1 69 69 MET CA C 13 55.307 0.16 . 1 . . . . 69 MET CA . 16711 1 780 . 1 1 69 69 MET CB C 13 33.570 0.16 . 1 . . . . 69 MET CB . 16711 1 781 . 1 1 69 69 MET CE C 13 17.085 0.16 . 1 . . . . 69 MET CE . 16711 1 782 . 1 1 69 69 MET CG C 13 32.389 0.16 . 1 . . . . 69 MET CG . 16711 1 783 . 1 1 69 69 MET N N 15 120.960 0.12 . 1 . . . . 69 MET N . 16711 1 784 . 1 1 70 70 CYS H H 1 9.103 0.006 . 1 . . . . 70 CYS H . 16711 1 785 . 1 1 70 70 CYS HA H 1 4.725 0.006 . 1 . . . . 70 CYS HA . 16711 1 786 . 1 1 70 70 CYS HB2 H 1 3.222 0.006 . 2 . . . . 70 CYS HB2 . 16711 1 787 . 1 1 70 70 CYS HB3 H 1 2.915 0.006 . 2 . . . . 70 CYS HB3 . 16711 1 788 . 1 1 70 70 CYS CA C 13 60.103 0.16 . 1 . . . . 70 CYS CA . 16711 1 789 . 1 1 70 70 CYS CB C 13 41.046 0.16 . 1 . . . . 70 CYS CB . 16711 1 790 . 1 1 70 70 CYS N N 15 123.610 0.12 . 1 . . . . 70 CYS N . 16711 1 791 . 1 1 71 71 ALA H H 1 8.586 0.006 . 1 . . . . 71 ALA H . 16711 1 792 . 1 1 71 71 ALA HA H 1 4.074 0.006 . 1 . . . . 71 ALA HA . 16711 1 793 . 1 1 71 71 ALA HB1 H 1 1.349 0.006 . 1 . . . . 71 ALA QB . 16711 1 794 . 1 1 71 71 ALA HB2 H 1 1.349 0.006 . 1 . . . . 71 ALA QB . 16711 1 795 . 1 1 71 71 ALA HB3 H 1 1.349 0.006 . 1 . . . . 71 ALA QB . 16711 1 796 . 1 1 71 71 ALA CA C 13 54.194 0.16 . 1 . . . . 71 ALA CA . 16711 1 797 . 1 1 71 71 ALA CB C 13 18.795 0.16 . 1 . . . . 71 ALA CB . 16711 1 798 . 1 1 71 71 ALA N N 15 124.741 0.12 . 1 . . . . 71 ALA N . 16711 1 799 . 1 1 72 72 ASN H H 1 7.483 0.006 . 1 . . . . 72 ASN H . 16711 1 800 . 1 1 72 72 ASN HA H 1 4.942 0.006 . 1 . . . . 72 ASN HA . 16711 1 801 . 1 1 72 72 ASN HB2 H 1 2.826 0.006 . 2 . . . . 72 ASN QB . 16711 1 802 . 1 1 72 72 ASN HB3 H 1 2.826 0.006 . 2 . . . . 72 ASN QB . 16711 1 803 . 1 1 72 72 ASN HD21 H 1 7.264 0.006 . 2 . . . . 72 ASN HD21 . 16711 1 804 . 1 1 72 72 ASN HD22 H 1 7.794 0.006 . 2 . . . . 72 ASN HD22 . 16711 1 805 . 1 1 72 72 ASN CA C 13 50.259 0.16 . 1 . . . . 72 ASN CA . 16711 1 806 . 1 1 72 72 ASN CB C 13 39.245 0.16 . 1 . . . . 72 ASN CB . 16711 1 807 . 1 1 72 72 ASN N N 15 115.850 0.12 . 1 . . . . 72 ASN N . 16711 1 808 . 1 1 72 72 ASN ND2 N 15 112.458 0.12 . 1 . . . . 72 ASN ND2 . 16711 1 809 . 1 1 73 73 PRO HA H 1 4.368 0.006 . 1 . . . . 73 PRO HA . 16711 1 810 . 1 1 73 73 PRO HB2 H 1 2.373 0.006 . 2 . . . . 73 PRO HB2 . 16711 1 811 . 1 1 73 73 PRO HB3 H 1 2.001 0.006 . 2 . . . . 73 PRO HB3 . 16711 1 812 . 1 1 73 73 PRO HD2 H 1 4.222 0.006 . 2 . . . . 73 PRO HD2 . 16711 1 813 . 1 1 73 73 PRO HD3 H 1 3.892 0.006 . 2 . . . . 73 PRO HD3 . 16711 1 814 . 1 1 73 73 PRO HG2 H 1 2.054 0.006 . 2 . . . . 73 PRO HG2 . 16711 1 815 . 1 1 73 73 PRO HG3 H 1 2.010 0.006 . 2 . . . . 73 PRO HG3 . 16711 1 816 . 1 1 73 73 PRO CA C 13 64.972 0.16 . 1 . . . . 73 PRO CA . 16711 1 817 . 1 1 73 73 PRO CB C 13 32.594 0.16 . 1 . . . . 73 PRO CB . 16711 1 818 . 1 1 73 73 PRO CD C 13 51.660 0.16 . 1 . . . . 73 PRO CD . 16711 1 819 . 1 1 73 73 PRO CG C 13 27.550 0.16 . 1 . . . . 73 PRO CG . 16711 1 820 . 1 1 74 74 GLN H H 1 7.852 0.006 . 1 . . . . 74 GLN H . 16711 1 821 . 1 1 74 74 GLN HA H 1 4.080 0.006 . 1 . . . . 74 GLN HA . 16711 1 822 . 1 1 74 74 GLN HB2 H 1 1.996 0.006 . 2 . . . . 74 GLN HB2 . 16711 1 823 . 1 1 74 74 GLN HE21 H 1 6.819 0.006 . 2 . . . . 74 GLN HE21 . 16711 1 824 . 1 1 74 74 GLN HE22 H 1 7.545 0.006 . 2 . . . . 74 GLN HE22 . 16711 1 825 . 1 1 74 74 GLN HG2 H 1 2.114 0.006 . 2 . . . . 74 GLN HG2 . 16711 1 826 . 1 1 74 74 GLN HG3 H 1 2.416 0.006 . 2 . . . . 74 GLN HG3 . 16711 1 827 . 1 1 74 74 GLN CA C 13 59.019 0.16 . 1 . . . . 74 GLN CA . 16711 1 828 . 1 1 74 74 GLN CB C 13 29.102 0.16 . 1 . . . . 74 GLN CB . 16711 1 829 . 1 1 74 74 GLN CG C 13 34.640 0.16 . 1 . . . . 74 GLN CG . 16711 1 830 . 1 1 74 74 GLN N N 15 118.023 0.12 . 1 . . . . 74 GLN N . 16711 1 831 . 1 1 74 74 GLN NE2 N 15 110.706 0.12 . 1 . . . . 74 GLN NE2 . 16711 1 832 . 1 1 75 75 LEU H H 1 7.458 0.006 . 1 . . . . 75 LEU H . 16711 1 833 . 1 1 75 75 LEU HA H 1 3.961 0.006 . 1 . . . . 75 LEU HA . 16711 1 834 . 1 1 75 75 LEU HB2 H 1 1.231 0.006 . 2 . . . . 75 LEU HB2 . 16711 1 835 . 1 1 75 75 LEU HB3 H 1 1.783 0.006 . 2 . . . . 75 LEU HB3 . 16711 1 836 . 1 1 75 75 LEU HD11 H 1 0.998 0.006 . 1 . . . . 75 LEU QD1 . 16711 1 837 . 1 1 75 75 LEU HD12 H 1 0.998 0.006 . 1 . . . . 75 LEU QD1 . 16711 1 838 . 1 1 75 75 LEU HD13 H 1 0.998 0.006 . 1 . . . . 75 LEU QD1 . 16711 1 839 . 1 1 75 75 LEU HD21 H 1 0.630 0.006 . 1 . . . . 75 LEU QD2 . 16711 1 840 . 1 1 75 75 LEU HD22 H 1 0.630 0.006 . 1 . . . . 75 LEU QD2 . 16711 1 841 . 1 1 75 75 LEU HD23 H 1 0.630 0.006 . 1 . . . . 75 LEU QD2 . 16711 1 842 . 1 1 75 75 LEU HG H 1 1.556 0.006 . 1 . . . . 75 LEU HG . 16711 1 843 . 1 1 75 75 LEU CA C 13 57.895 0.16 . 1 . . . . 75 LEU CA . 16711 1 844 . 1 1 75 75 LEU CB C 13 41.277 0.16 . 1 . . . . 75 LEU CB . 16711 1 845 . 1 1 75 75 LEU CD1 C 13 26.128 0.16 . 2 . . . . 75 LEU CD1 . 16711 1 846 . 1 1 75 75 LEU CD2 C 13 22.329 0.16 . 2 . . . . 75 LEU CD2 . 16711 1 847 . 1 1 75 75 LEU CG C 13 27.287 0.16 . 1 . . . . 75 LEU CG . 16711 1 848 . 1 1 75 75 LEU N N 15 115.980 0.12 . 1 . . . . 75 LEU N . 16711 1 849 . 1 1 76 76 ASN H H 1 7.037 0.006 . 1 . . . . 76 ASN H . 16711 1 850 . 1 1 76 76 ASN HA H 1 4.472 0.006 . 1 . . . . 76 ASN HA . 16711 1 851 . 1 1 76 76 ASN HB2 H 1 2.887 0.006 . 2 . . . . 76 ASN HB2 . 16711 1 852 . 1 1 76 76 ASN HB3 H 1 2.740 0.006 . 2 . . . . 76 ASN HB3 . 16711 1 853 . 1 1 76 76 ASN HD21 H 1 7.425 0.006 . 2 . . . . 76 ASN HD21 . 16711 1 854 . 1 1 76 76 ASN HD22 H 1 7.589 0.006 . 2 . . . . 76 ASN HD22 . 16711 1 855 . 1 1 76 76 ASN CA C 13 57.090 0.16 . 1 . . . . 76 ASN CA . 16711 1 856 . 1 1 76 76 ASN CB C 13 38.634 0.16 . 1 . . . . 76 ASN CB . 16711 1 857 . 1 1 76 76 ASN N N 15 116.086 0.12 . 1 . . . . 76 ASN N . 16711 1 858 . 1 1 76 76 ASN ND2 N 15 114.586 0.12 . 1 . . . . 76 ASN ND2 . 16711 1 859 . 1 1 77 77 GLU H H 1 7.778 0.006 . 1 . . . . 77 GLU H . 16711 1 860 . 1 1 77 77 GLU HA H 1 4.073 0.006 . 1 . . . . 77 GLU HA . 16711 1 861 . 1 1 77 77 GLU HB2 H 1 2.094 0.006 . 2 . . . . 77 GLU HB2 . 16711 1 862 . 1 1 77 77 GLU HG2 H 1 2.291 0.006 . 2 . . . . 77 GLU HG2 . 16711 1 863 . 1 1 77 77 GLU HG3 H 1 2.144 0.006 . 2 . . . . 77 GLU HG3 . 16711 1 864 . 1 1 77 77 GLU CA C 13 59.534 0.16 . 1 . . . . 77 GLU CA . 16711 1 865 . 1 1 77 77 GLU CB C 13 29.606 0.16 . 1 . . . . 77 GLU CB . 16711 1 866 . 1 1 77 77 GLU CG C 13 36.296 0.16 . 1 . . . . 77 GLU CG . 16711 1 867 . 1 1 77 77 GLU N N 15 120.550 0.12 . 1 . . . . 77 GLU N . 16711 1 868 . 1 1 78 78 LEU H H 1 8.069 0.006 . 1 . . . . 78 LEU H . 16711 1 869 . 1 1 78 78 LEU HA H 1 4.073 0.006 . 1 . . . . 78 LEU HA . 16711 1 870 . 1 1 78 78 LEU HB2 H 1 2.029 0.006 . 2 . . . . 78 LEU HB2 . 16711 1 871 . 1 1 78 78 LEU HB3 H 1 1.704 0.006 . 2 . . . . 78 LEU HB3 . 16711 1 872 . 1 1 78 78 LEU HD11 H 1 0.829 0.006 . 1 . . . . 78 LEU QD1 . 16711 1 873 . 1 1 78 78 LEU HD12 H 1 0.829 0.006 . 1 . . . . 78 LEU QD1 . 16711 1 874 . 1 1 78 78 LEU HD13 H 1 0.829 0.006 . 1 . . . . 78 LEU QD1 . 16711 1 875 . 1 1 78 78 LEU HD21 H 1 0.744 0.006 . 1 . . . . 78 LEU QD2 . 16711 1 876 . 1 1 78 78 LEU HD22 H 1 0.744 0.006 . 1 . . . . 78 LEU QD2 . 16711 1 877 . 1 1 78 78 LEU HD23 H 1 0.744 0.006 . 1 . . . . 78 LEU QD2 . 16711 1 878 . 1 1 78 78 LEU HG H 1 1.908 0.006 . 1 . . . . 78 LEU HG . 16711 1 879 . 1 1 78 78 LEU CA C 13 58.015 0.16 . 1 . . . . 78 LEU CA . 16711 1 880 . 1 1 78 78 LEU CB C 13 42.283 0.16 . 1 . . . . 78 LEU CB . 16711 1 881 . 1 1 78 78 LEU CD1 C 13 23.575 0.16 . 2 . . . . 78 LEU CD1 . 16711 1 882 . 1 1 78 78 LEU CD2 C 13 26.152 0.16 . 2 . . . . 78 LEU CD2 . 16711 1 883 . 1 1 78 78 LEU CG C 13 27.837 0.16 . 1 . . . . 78 LEU CG . 16711 1 884 . 1 1 78 78 LEU N N 15 119.496 0.12 . 1 . . . . 78 LEU N . 16711 1 885 . 1 1 79 79 ASP H H 1 7.552 0.006 . 1 . . . . 79 ASP H . 16711 1 886 . 1 1 79 79 ASP HA H 1 4.128 0.006 . 1 . . . . 79 ASP HA . 16711 1 887 . 1 1 79 79 ASP HB2 H 1 3.147 0.006 . 2 . . . . 79 ASP HB2 . 16711 1 888 . 1 1 79 79 ASP HB3 H 1 2.716 0.006 . 2 . . . . 79 ASP HB3 . 16711 1 889 . 1 1 79 79 ASP CA C 13 58.118 0.16 . 1 . . . . 79 ASP CA . 16711 1 890 . 1 1 79 79 ASP CB C 13 41.276 0.16 . 1 . . . . 79 ASP CB . 16711 1 891 . 1 1 79 79 ASP N N 15 121.216 0.12 . 1 . . . . 79 ASP N . 16711 1 892 . 1 1 80 80 ASN H H 1 6.994 0.006 . 1 . . . . 80 ASN H . 16711 1 893 . 1 1 80 80 ASN HA H 1 4.355 0.006 . 1 . . . . 80 ASN HA . 16711 1 894 . 1 1 80 80 ASN HB2 H 1 2.865 0.006 . 2 . . . . 80 ASN HB2 . 16711 1 895 . 1 1 80 80 ASN HB3 H 1 2.964 0.006 . 2 . . . . 80 ASN HB3 . 16711 1 896 . 1 1 80 80 ASN HD21 H 1 7.588 0.006 . 2 . . . . 80 ASN HD21 . 16711 1 897 . 1 1 80 80 ASN HD22 H 1 7.189 0.006 . 2 . . . . 80 ASN HD22 . 16711 1 898 . 1 1 80 80 ASN CA C 13 56.246 0.16 . 1 . . . . 80 ASN CA . 16711 1 899 . 1 1 80 80 ASN CB C 13 38.572 0.16 . 1 . . . . 80 ASN CB . 16711 1 900 . 1 1 80 80 ASN N N 15 117.127 0.12 . 1 . . . . 80 ASN N . 16711 1 901 . 1 1 80 80 ASN ND2 N 15 114.753 0.12 . 1 . . . . 80 ASN ND2 . 16711 1 902 . 1 1 81 81 THR H H 1 8.569 0.006 . 1 . . . . 81 THR H . 16711 1 903 . 1 1 81 81 THR HA H 1 3.739 0.006 . 1 . . . . 81 THR HA . 16711 1 904 . 1 1 81 81 THR HB H 1 4.127 0.006 . 1 . . . . 81 THR HB . 16711 1 905 . 1 1 81 81 THR HG21 H 1 1.041 0.006 . 1 . . . . 81 THR QG2 . 16711 1 906 . 1 1 81 81 THR HG22 H 1 1.041 0.006 . 1 . . . . 81 THR QG2 . 16711 1 907 . 1 1 81 81 THR HG23 H 1 1.041 0.006 . 1 . . . . 81 THR QG2 . 16711 1 908 . 1 1 81 81 THR CA C 13 67.230 0.16 . 1 . . . . 81 THR CA . 16711 1 909 . 1 1 81 81 THR CB C 13 68.893 0.16 . 1 . . . . 81 THR CB . 16711 1 910 . 1 1 81 81 THR CG2 C 13 22.590 0.16 . 1 . . . . 81 THR CG2 . 16711 1 911 . 1 1 81 81 THR N N 15 118.300 0.12 . 1 . . . . 81 THR N . 16711 1 912 . 1 1 82 82 ILE H H 1 8.303 0.006 . 1 . . . . 82 ILE H . 16711 1 913 . 1 1 82 82 ILE HA H 1 4.009 0.006 . 1 . . . . 82 ILE HA . 16711 1 914 . 1 1 82 82 ILE HB H 1 1.377 0.006 . 1 . . . . 82 ILE HB . 16711 1 915 . 1 1 82 82 ILE HD11 H 1 0.605 0.006 . 1 . . . . 82 ILE QD1 . 16711 1 916 . 1 1 82 82 ILE HD12 H 1 0.605 0.006 . 1 . . . . 82 ILE QD1 . 16711 1 917 . 1 1 82 82 ILE HD13 H 1 0.605 0.006 . 1 . . . . 82 ILE QD1 . 16711 1 918 . 1 1 82 82 ILE HG12 H 1 0.703 0.006 . 2 . . . . 82 ILE HG12 . 16711 1 919 . 1 1 82 82 ILE HG13 H 1 0.656 0.006 . 2 . . . . 82 ILE HG13 . 16711 1 920 . 1 1 82 82 ILE HG21 H 1 0.448 0.006 . 1 . . . . 82 ILE QG2 . 16711 1 921 . 1 1 82 82 ILE HG22 H 1 0.448 0.006 . 1 . . . . 82 ILE QG2 . 16711 1 922 . 1 1 82 82 ILE HG23 H 1 0.448 0.006 . 1 . . . . 82 ILE QG2 . 16711 1 923 . 1 1 82 82 ILE CA C 13 61.300 0.16 . 1 . . . . 82 ILE CA . 16711 1 924 . 1 1 82 82 ILE CB C 13 37.997 0.16 . 1 . . . . 82 ILE CB . 16711 1 925 . 1 1 82 82 ILE CD1 C 13 13.349 0.16 . 1 . . . . 82 ILE CD1 . 16711 1 926 . 1 1 82 82 ILE CG1 C 13 29.269 0.16 . 1 . . . . 82 ILE CG1 . 16711 1 927 . 1 1 82 82 ILE CG2 C 13 18.956 0.16 . 1 . . . . 82 ILE CG2 . 16711 1 928 . 1 1 82 82 ILE N N 15 119.470 0.12 . 1 . . . . 82 ILE N . 16711 1 929 . 1 1 83 83 SER H H 1 6.811 0.006 . 1 . . . . 83 SER H . 16711 1 930 . 1 1 83 83 SER HA H 1 3.768 0.006 . 1 . . . . 83 SER HA . 16711 1 931 . 1 1 83 83 SER HB2 H 1 3.852 0.006 . 2 . . . . 83 SER HB2 . 16711 1 932 . 1 1 83 83 SER HB3 H 1 3.764 0.006 . 2 . . . . 83 SER HB3 . 16711 1 933 . 1 1 83 83 SER CA C 13 61.802 0.16 . 1 . . . . 83 SER CA . 16711 1 934 . 1 1 83 83 SER CB C 13 63.095 0.16 . 1 . . . . 83 SER CB . 16711 1 935 . 1 1 83 83 SER N N 15 117.139 0.12 . 1 . . . . 83 SER N . 16711 1 936 . 1 1 84 84 GLU H H 1 8.058 0.006 . 1 . . . . 84 GLU H . 16711 1 937 . 1 1 84 84 GLU HA H 1 3.939 0.006 . 1 . . . . 84 GLU HA . 16711 1 938 . 1 1 84 84 GLU HB2 H 1 2.004 0.006 . 2 . . . . 84 GLU HB2 . 16711 1 939 . 1 1 84 84 GLU HB3 H 1 2.038 0.006 . 2 . . . . 84 GLU HB3 . 16711 1 940 . 1 1 84 84 GLU HG2 H 1 2.267 0.006 . 2 . . . . 84 GLU HG2 . 16711 1 941 . 1 1 84 84 GLU HG3 H 1 2.147 0.006 . 2 . . . . 84 GLU HG3 . 16711 1 942 . 1 1 84 84 GLU CA C 13 59.735 0.16 . 1 . . . . 84 GLU CA . 16711 1 943 . 1 1 84 84 GLU CB C 13 30.093 0.16 . 1 . . . . 84 GLU CB . 16711 1 944 . 1 1 84 84 GLU CG C 13 36.566 0.16 . 1 . . . . 84 GLU CG . 16711 1 945 . 1 1 84 84 GLU N N 15 120.389 0.12 . 1 . . . . 84 GLU N . 16711 1 946 . 1 1 85 85 MET H H 1 8.355 0.006 . 1 . . . . 85 MET H . 16711 1 947 . 1 1 85 85 MET HA H 1 3.836 0.006 . 1 . . . . 85 MET HA . 16711 1 948 . 1 1 85 85 MET HB2 H 1 1.784 0.006 . 2 . . . . 85 MET HB2 . 16711 1 949 . 1 1 85 85 MET HB3 H 1 1.898 0.006 . 2 . . . . 85 MET HB3 . 16711 1 950 . 1 1 85 85 MET HE1 H 1 1.806 0.006 . 1 . . . . 85 MET QE . 16711 1 951 . 1 1 85 85 MET HE2 H 1 1.806 0.006 . 1 . . . . 85 MET QE . 16711 1 952 . 1 1 85 85 MET HE3 H 1 1.806 0.006 . 1 . . . . 85 MET QE . 16711 1 953 . 1 1 85 85 MET HG2 H 1 2.784 0.006 . 2 . . . . 85 MET HG2 . 16711 1 954 . 1 1 85 85 MET HG3 H 1 2.272 0.006 . 2 . . . . 85 MET HG3 . 16711 1 955 . 1 1 85 85 MET CA C 13 60.348 0.16 . 1 . . . . 85 MET CA . 16711 1 956 . 1 1 85 85 MET CB C 13 34.839 0.16 . 1 . . . . 85 MET CB . 16711 1 957 . 1 1 85 85 MET CE C 13 17.387 0.16 . 1 . . . . 85 MET CE . 16711 1 958 . 1 1 85 85 MET CG C 13 32.183 0.16 . 1 . . . . 85 MET CG . 16711 1 959 . 1 1 85 85 MET N N 15 118.015 0.12 . 1 . . . . 85 MET N . 16711 1 960 . 1 1 86 86 LEU H H 1 7.714 0.006 . 1 . . . . 86 LEU H . 16711 1 961 . 1 1 86 86 LEU HA H 1 4.169 0.006 . 1 . . . . 86 LEU HA . 16711 1 962 . 1 1 86 86 LEU HB2 H 1 1.313 0.006 . 2 . . . . 86 LEU HB2 . 16711 1 963 . 1 1 86 86 LEU HB3 H 1 1.662 0.006 . 2 . . . . 86 LEU HB3 . 16711 1 964 . 1 1 86 86 LEU HD11 H 1 0.501 0.006 . 1 . . . . 86 LEU QD1 . 16711 1 965 . 1 1 86 86 LEU HD12 H 1 0.501 0.006 . 1 . . . . 86 LEU QD1 . 16711 1 966 . 1 1 86 86 LEU HD13 H 1 0.501 0.006 . 1 . . . . 86 LEU QD1 . 16711 1 967 . 1 1 86 86 LEU HD21 H 1 0.468 0.006 . 1 . . . . 86 LEU QD2 . 16711 1 968 . 1 1 86 86 LEU HD22 H 1 0.468 0.006 . 1 . . . . 86 LEU QD2 . 16711 1 969 . 1 1 86 86 LEU HD23 H 1 0.468 0.006 . 1 . . . . 86 LEU QD2 . 16711 1 970 . 1 1 86 86 LEU HG H 1 1.659 0.006 . 1 . . . . 86 LEU HG . 16711 1 971 . 1 1 86 86 LEU CA C 13 56.521 0.16 . 1 . . . . 86 LEU CA . 16711 1 972 . 1 1 86 86 LEU CB C 13 40.622 0.16 . 1 . . . . 86 LEU CB . 16711 1 973 . 1 1 86 86 LEU CD1 C 13 21.952 0.16 . 2 . . . . 86 LEU CD1 . 16711 1 974 . 1 1 86 86 LEU CD2 C 13 26.346 0.16 . 2 . . . . 86 LEU CD2 . 16711 1 975 . 1 1 86 86 LEU CG C 13 27.193 0.16 . 1 . . . . 86 LEU CG . 16711 1 976 . 1 1 86 86 LEU N N 15 113.334 0.12 . 1 . . . . 86 LEU N . 16711 1 977 . 1 1 87 87 LYS H H 1 7.522 0.006 . 1 . . . . 87 LYS H . 16711 1 978 . 1 1 87 87 LYS HA H 1 4.205 0.006 . 1 . . . . 87 LYS HA . 16711 1 979 . 1 1 87 87 LYS HB2 H 1 1.866 0.006 . 2 . . . . 87 LYS HB2 . 16711 1 980 . 1 1 87 87 LYS HB3 H 1 1.921 0.006 . 2 . . . . 87 LYS HB3 . 16711 1 981 . 1 1 87 87 LYS HD2 H 1 1.630 0.006 . 2 . . . . 87 LYS QD . 16711 1 982 . 1 1 87 87 LYS HD3 H 1 1.630 0.006 . 2 . . . . 87 LYS QD . 16711 1 983 . 1 1 87 87 LYS HE2 H 1 2.903 0.006 . 2 . . . . 87 LYS QE . 16711 1 984 . 1 1 87 87 LYS HE3 H 1 2.903 0.006 . 2 . . . . 87 LYS QE . 16711 1 985 . 1 1 87 87 LYS HG2 H 1 1.528 0.006 . 2 . . . . 87 LYS HG2 . 16711 1 986 . 1 1 87 87 LYS HG3 H 1 1.351 0.006 . 2 . . . . 87 LYS HG3 . 16711 1 987 . 1 1 87 87 LYS CA C 13 59.154 0.16 . 1 . . . . 87 LYS CA . 16711 1 988 . 1 1 87 87 LYS CB C 13 33.260 0.16 . 1 . . . . 87 LYS CB . 16711 1 989 . 1 1 87 87 LYS CD C 13 29.768 0.16 . 1 . . . . 87 LYS CD . 16711 1 990 . 1 1 87 87 LYS CE C 13 42.436 0.16 . 1 . . . . 87 LYS CE . 16711 1 991 . 1 1 87 87 LYS CG C 13 25.629 0.16 . 1 . . . . 87 LYS CG . 16711 1 992 . 1 1 87 87 LYS N N 15 118.833 0.12 . 1 . . . . 87 LYS N . 16711 1 993 . 1 1 88 88 GLU H H 1 7.790 0.006 . 1 . . . . 88 GLU H . 16711 1 994 . 1 1 88 88 GLU HA H 1 4.131 0.006 . 1 . . . . 88 GLU HA . 16711 1 995 . 1 1 88 88 GLU HB2 H 1 2.057 0.006 . 2 . . . . 88 GLU HB2 . 16711 1 996 . 1 1 88 88 GLU HB3 H 1 2.034 0.006 . 2 . . . . 88 GLU HB3 . 16711 1 997 . 1 1 88 88 GLU HG2 H 1 2.294 0.006 . 2 . . . . 88 GLU HG2 . 16711 1 998 . 1 1 88 88 GLU HG3 H 1 2.409 0.006 . 2 . . . . 88 GLU HG3 . 16711 1 999 . 1 1 88 88 GLU CA C 13 58.167 0.16 . 1 . . . . 88 GLU CA . 16711 1 1000 . 1 1 88 88 GLU CB C 13 30.908 0.16 . 1 . . . . 88 GLU CB . 16711 1 1001 . 1 1 88 88 GLU CG C 13 36.523 0.16 . 1 . . . . 88 GLU CG . 16711 1 1002 . 1 1 88 88 GLU N N 15 116.470 0.12 . 1 . . . . 88 GLU N . 16711 1 1003 . 1 1 89 89 GLY H H 1 7.865 0.006 . 1 . . . . 89 GLY H . 16711 1 1004 . 1 1 89 89 GLY HA2 H 1 4.171 0.006 . 2 . . . . 89 GLY HA2 . 16711 1 1005 . 1 1 89 89 GLY HA3 H 1 3.691 0.006 . 2 . . . . 89 GLY HA3 . 16711 1 1006 . 1 1 89 89 GLY CA C 13 45.349 0.16 . 1 . . . . 89 GLY CA . 16711 1 1007 . 1 1 89 89 GLY N N 15 109.172 0.12 . 1 . . . . 89 GLY N . 16711 1 1008 . 1 1 90 90 ALA H H 1 8.619 0.006 . 1 . . . . 90 ALA H . 16711 1 1009 . 1 1 90 90 ALA HA H 1 4.678 0.006 . 1 . . . . 90 ALA HA . 16711 1 1010 . 1 1 90 90 ALA HB1 H 1 1.050 0.006 . 1 . . . . 90 ALA QB . 16711 1 1011 . 1 1 90 90 ALA HB2 H 1 1.050 0.006 . 1 . . . . 90 ALA QB . 16711 1 1012 . 1 1 90 90 ALA HB3 H 1 1.050 0.006 . 1 . . . . 90 ALA QB . 16711 1 1013 . 1 1 90 90 ALA CA C 13 49.827 0.16 . 1 . . . . 90 ALA CA . 16711 1 1014 . 1 1 90 90 ALA CB C 13 21.447 0.16 . 1 . . . . 90 ALA CB . 16711 1 1015 . 1 1 90 90 ALA N N 15 128.022 0.12 . 1 . . . . 90 ALA N . 16711 1 1016 . 1 1 91 91 GLN H H 1 9.272 0.006 . 1 . . . . 91 GLN H . 16711 1 1017 . 1 1 91 91 GLN HA H 1 4.429 0.006 . 1 . . . . 91 GLN HA . 16711 1 1018 . 1 1 91 91 GLN HB2 H 1 1.985 0.006 . 2 . . . . 91 GLN HB2 . 16711 1 1019 . 1 1 91 91 GLN HB3 H 1 2.044 0.006 . 2 . . . . 91 GLN HB3 . 16711 1 1020 . 1 1 91 91 GLN HE21 H 1 6.861 0.006 . 2 . . . . 91 GLN HE21 . 16711 1 1021 . 1 1 91 91 GLN HE22 H 1 7.569 0.006 . 2 . . . . 91 GLN HE22 . 16711 1 1022 . 1 1 91 91 GLN HG2 H 1 2.379 0.006 . 2 . . . . 91 GLN QG . 16711 1 1023 . 1 1 91 91 GLN HG3 H 1 2.379 0.006 . 2 . . . . 91 GLN QG . 16711 1 1024 . 1 1 91 91 GLN CA C 13 56.206 0.16 . 1 . . . . 91 GLN CA . 16711 1 1025 . 1 1 91 91 GLN CB C 13 29.223 0.16 . 1 . . . . 91 GLN CB . 16711 1 1026 . 1 1 91 91 GLN CG C 13 34.196 0.16 . 1 . . . . 91 GLN CG . 16711 1 1027 . 1 1 91 91 GLN N N 15 123.506 0.12 . 1 . . . . 91 GLN N . 16711 1 1028 . 1 1 91 91 GLN NE2 N 15 112.870 0.12 . 1 . . . . 91 GLN NE2 . 16711 1 1029 . 1 1 92 92 VAL H H 1 8.277 0.006 . 1 . . . . 92 VAL H . 16711 1 1030 . 1 1 92 92 VAL HA H 1 4.931 0.006 . 1 . . . . 92 VAL HA . 16711 1 1031 . 1 1 92 92 VAL HB H 1 1.653 0.006 . 1 . . . . 92 VAL HB . 16711 1 1032 . 1 1 92 92 VAL HG11 H 1 0.590 0.006 . 1 . . . . 92 VAL QG1 . 16711 1 1033 . 1 1 92 92 VAL HG12 H 1 0.590 0.006 . 1 . . . . 92 VAL QG1 . 16711 1 1034 . 1 1 92 92 VAL HG13 H 1 0.590 0.006 . 1 . . . . 92 VAL QG1 . 16711 1 1035 . 1 1 92 92 VAL HG21 H 1 0.685 0.006 . 1 . . . . 92 VAL QG2 . 16711 1 1036 . 1 1 92 92 VAL HG22 H 1 0.685 0.006 . 1 . . . . 92 VAL QG2 . 16711 1 1037 . 1 1 92 92 VAL HG23 H 1 0.685 0.006 . 1 . . . . 92 VAL QG2 . 16711 1 1038 . 1 1 92 92 VAL CA C 13 60.912 0.16 . 1 . . . . 92 VAL CA . 16711 1 1039 . 1 1 92 92 VAL CB C 13 34.088 0.16 . 1 . . . . 92 VAL CB . 16711 1 1040 . 1 1 92 92 VAL CG1 C 13 22.937 0.16 . 2 . . . . 92 VAL CG1 . 16711 1 1041 . 1 1 92 92 VAL CG2 C 13 23.223 0.16 . 2 . . . . 92 VAL CG2 . 16711 1 1042 . 1 1 92 92 VAL N N 15 123.642 0.12 . 1 . . . . 92 VAL N . 16711 1 1043 . 1 1 93 93 ASP H H 1 8.573 0.006 . 1 . . . . 93 ASP H . 16711 1 1044 . 1 1 93 93 ASP HA H 1 4.738 0.006 . 1 . . . . 93 ASP HA . 16711 1 1045 . 1 1 93 93 ASP HB2 H 1 2.475 0.006 . 2 . . . . 93 ASP HB2 . 16711 1 1046 . 1 1 93 93 ASP HB3 H 1 2.436 0.006 . 2 . . . . 93 ASP HB3 . 16711 1 1047 . 1 1 93 93 ASP CA C 13 53.395 0.16 . 1 . . . . 93 ASP CA . 16711 1 1048 . 1 1 93 93 ASP CB C 13 45.850 0.16 . 1 . . . . 93 ASP CB . 16711 1 1049 . 1 1 93 93 ASP N N 15 125.746 0.12 . 1 . . . . 93 ASP N . 16711 1 1050 . 1 1 94 94 LEU H H 1 8.127 0.006 . 1 . . . . 94 LEU H . 16711 1 1051 . 1 1 94 94 LEU HA H 1 5.216 0.006 . 1 . . . . 94 LEU HA . 16711 1 1052 . 1 1 94 94 LEU HB2 H 1 0.858 0.006 . 2 . . . . 94 LEU HB2 . 16711 1 1053 . 1 1 94 94 LEU HB3 H 1 1.696 0.006 . 2 . . . . 94 LEU HB3 . 16711 1 1054 . 1 1 94 94 LEU HD11 H 1 0.705 0.006 . 1 . . . . 94 LEU QD1 . 16711 1 1055 . 1 1 94 94 LEU HD12 H 1 0.705 0.006 . 1 . . . . 94 LEU QD1 . 16711 1 1056 . 1 1 94 94 LEU HD13 H 1 0.705 0.006 . 1 . . . . 94 LEU QD1 . 16711 1 1057 . 1 1 94 94 LEU HD21 H 1 0.728 0.006 . 1 . . . . 94 LEU QD2 . 16711 1 1058 . 1 1 94 94 LEU HD22 H 1 0.728 0.006 . 1 . . . . 94 LEU QD2 . 16711 1 1059 . 1 1 94 94 LEU HD23 H 1 0.728 0.006 . 1 . . . . 94 LEU QD2 . 16711 1 1060 . 1 1 94 94 LEU HG H 1 1.349 0.006 . 1 . . . . 94 LEU HG . 16711 1 1061 . 1 1 94 94 LEU CA C 13 54.411 0.16 . 1 . . . . 94 LEU CA . 16711 1 1062 . 1 1 94 94 LEU CB C 13 45.517 0.16 . 1 . . . . 94 LEU CB . 16711 1 1063 . 1 1 94 94 LEU CD1 C 13 24.050 0.16 . 2 . . . . 94 LEU CD1 . 16711 1 1064 . 1 1 94 94 LEU CD2 C 13 26.947 0.16 . 2 . . . . 94 LEU CD2 . 16711 1 1065 . 1 1 94 94 LEU CG C 13 27.644 0.16 . 1 . . . . 94 LEU CG . 16711 1 1066 . 1 1 94 94 LEU N N 15 126.738 0.12 . 1 . . . . 94 LEU N . 16711 1 1067 . 1 1 95 95 THR H H 1 8.458 0.006 . 1 . . . . 95 THR H . 16711 1 1068 . 1 1 95 95 THR HA H 1 4.389 0.006 . 1 . . . . 95 THR HA . 16711 1 1069 . 1 1 95 95 THR HB H 1 4.022 0.006 . 1 . . . . 95 THR HB . 16711 1 1070 . 1 1 95 95 THR HG21 H 1 1.126 0.006 . 1 . . . . 95 THR QG2 . 16711 1 1071 . 1 1 95 95 THR HG22 H 1 1.126 0.006 . 1 . . . . 95 THR QG2 . 16711 1 1072 . 1 1 95 95 THR HG23 H 1 1.126 0.006 . 1 . . . . 95 THR QG2 . 16711 1 1073 . 1 1 95 95 THR CA C 13 61.842 0.16 . 1 . . . . 95 THR CA . 16711 1 1074 . 1 1 95 95 THR CB C 13 71.072 0.16 . 1 . . . . 95 THR CB . 16711 1 1075 . 1 1 95 95 THR CG2 C 13 21.629 0.16 . 1 . . . . 95 THR CG2 . 16711 1 1076 . 1 1 95 95 THR N N 15 122.685 0.12 . 1 . . . . 95 THR N . 16711 1 1077 . 1 1 96 96 ALA H H 1 9.138 0.006 . 1 . . . . 96 ALA H . 16711 1 1078 . 1 1 96 96 ALA HA H 1 3.888 0.006 . 1 . . . . 96 ALA HA . 16711 1 1079 . 1 1 96 96 ALA HB1 H 1 1.390 0.006 . 1 . . . . 96 ALA QB . 16711 1 1080 . 1 1 96 96 ALA HB2 H 1 1.390 0.006 . 1 . . . . 96 ALA QB . 16711 1 1081 . 1 1 96 96 ALA HB3 H 1 1.390 0.006 . 1 . . . . 96 ALA QB . 16711 1 1082 . 1 1 96 96 ALA CA C 13 54.363 0.16 . 1 . . . . 96 ALA CA . 16711 1 1083 . 1 1 96 96 ALA CB C 13 17.226 0.16 . 1 . . . . 96 ALA CB . 16711 1 1084 . 1 1 96 96 ALA N N 15 129.444 0.12 . 1 . . . . 96 ALA N . 16711 1 1085 . 1 1 97 97 ASN H H 1 8.364 0.006 . 1 . . . . 97 ASN H . 16711 1 1086 . 1 1 97 97 ASN HA H 1 4.553 0.006 . 1 . . . . 97 ASN HA . 16711 1 1087 . 1 1 97 97 ASN HB2 H 1 2.995 0.006 . 2 . . . . 97 ASN HB2 . 16711 1 1088 . 1 1 97 97 ASN HB3 H 1 3.139 0.006 . 2 . . . . 97 ASN HB3 . 16711 1 1089 . 1 1 97 97 ASN HD21 H 1 6.882 0.006 . 2 . . . . 97 ASN HD21 . 16711 1 1090 . 1 1 97 97 ASN HD22 H 1 7.594 0.006 . 2 . . . . 97 ASN HD22 . 16711 1 1091 . 1 1 97 97 ASN CA C 13 53.920 0.16 . 1 . . . . 97 ASN CA . 16711 1 1092 . 1 1 97 97 ASN CB C 13 38.674 0.16 . 1 . . . . 97 ASN CB . 16711 1 1093 . 1 1 97 97 ASN N N 15 113.178 0.12 . 1 . . . . 97 ASN N . 16711 1 1094 . 1 1 97 97 ASN ND2 N 15 112.419 0.12 . 1 . . . . 97 ASN ND2 . 16711 1 1095 . 1 1 98 98 GLN H H 1 8.237 0.006 . 1 . . . . 98 GLN H . 16711 1 1096 . 1 1 98 98 GLN HA H 1 5.204 0.006 . 1 . . . . 98 GLN HA . 16711 1 1097 . 1 1 98 98 GLN HB2 H 1 2.042 0.006 . 2 . . . . 98 GLN HB2 . 16711 1 1098 . 1 1 98 98 GLN HE21 H 1 7.552 0.006 . 2 . . . . 98 GLN HE21 . 16711 1 1099 . 1 1 98 98 GLN HE22 H 1 6.822 0.006 . 2 . . . . 98 GLN HE22 . 16711 1 1100 . 1 1 98 98 GLN HG2 H 1 2.060 0.006 . 2 . . . . 98 GLN HG2 . 16711 1 1101 . 1 1 98 98 GLN HG3 H 1 2.266 0.006 . 2 . . . . 98 GLN HG3 . 16711 1 1102 . 1 1 98 98 GLN CA C 13 55.402 0.16 . 1 . . . . 98 GLN CA . 16711 1 1103 . 1 1 98 98 GLN CB C 13 32.661 0.16 . 1 . . . . 98 GLN CB . 16711 1 1104 . 1 1 98 98 GLN CG C 13 35.196 0.16 . 1 . . . . 98 GLN CG . 16711 1 1105 . 1 1 98 98 GLN N N 15 119.283 0.12 . 1 . . . . 98 GLN N . 16711 1 1106 . 1 1 98 98 GLN NE2 N 15 112.348 0.12 . 1 . . . . 98 GLN NE2 . 16711 1 1107 . 1 1 99 99 LEU H H 1 8.874 0.006 . 1 . . . . 99 LEU H . 16711 1 1108 . 1 1 99 99 LEU HA H 1 5.106 0.006 . 1 . . . . 99 LEU HA . 16711 1 1109 . 1 1 99 99 LEU HB2 H 1 1.182 0.006 . 2 . . . . 99 LEU HB2 . 16711 1 1110 . 1 1 99 99 LEU HB3 H 1 0.595 0.006 . 2 . . . . 99 LEU HB3 . 16711 1 1111 . 1 1 99 99 LEU HD11 H 1 -0.387 0.006 . 1 . . . . 99 LEU QD1 . 16711 1 1112 . 1 1 99 99 LEU HD12 H 1 -0.387 0.006 . 1 . . . . 99 LEU QD1 . 16711 1 1113 . 1 1 99 99 LEU HD13 H 1 -0.387 0.006 . 1 . . . . 99 LEU QD1 . 16711 1 1114 . 1 1 99 99 LEU HD21 H 1 0.305 0.006 . 1 . . . . 99 LEU QD2 . 16711 1 1115 . 1 1 99 99 LEU HD22 H 1 0.305 0.006 . 1 . . . . 99 LEU QD2 . 16711 1 1116 . 1 1 99 99 LEU HD23 H 1 0.305 0.006 . 1 . . . . 99 LEU QD2 . 16711 1 1117 . 1 1 99 99 LEU HG H 1 0.897 0.006 . 1 . . . . 99 LEU HG . 16711 1 1118 . 1 1 99 99 LEU CA C 13 53.392 0.16 . 1 . . . . 99 LEU CA . 16711 1 1119 . 1 1 99 99 LEU CB C 13 46.147 0.16 . 1 . . . . 99 LEU CB . 16711 1 1120 . 1 1 99 99 LEU CD1 C 13 24.995 0.16 . 2 . . . . 99 LEU CD1 . 16711 1 1121 . 1 1 99 99 LEU CD2 C 13 24.827 0.16 . 2 . . . . 99 LEU CD2 . 16711 1 1122 . 1 1 99 99 LEU CG C 13 27.228 0.16 . 1 . . . . 99 LEU CG . 16711 1 1123 . 1 1 99 99 LEU N N 15 131.017 0.12 . 1 . . . . 99 LEU N . 16711 1 1124 . 1 1 100 100 THR H H 1 9.411 0.006 . 1 . . . . 100 THR H . 16711 1 1125 . 1 1 100 100 THR HA H 1 5.394 0.006 . 1 . . . . 100 THR HA . 16711 1 1126 . 1 1 100 100 THR HB H 1 3.879 0.006 . 1 . . . . 100 THR HB . 16711 1 1127 . 1 1 100 100 THR HG21 H 1 1.063 0.006 . 1 . . . . 100 THR QG2 . 16711 1 1128 . 1 1 100 100 THR HG22 H 1 1.063 0.006 . 1 . . . . 100 THR QG2 . 16711 1 1129 . 1 1 100 100 THR HG23 H 1 1.063 0.006 . 1 . . . . 100 THR QG2 . 16711 1 1130 . 1 1 100 100 THR CA C 13 61.842 0.16 . 1 . . . . 100 THR CA . 16711 1 1131 . 1 1 100 100 THR CB C 13 70.942 0.16 . 1 . . . . 100 THR CB . 16711 1 1132 . 1 1 100 100 THR CG2 C 13 22.131 0.16 . 1 . . . . 100 THR CG2 . 16711 1 1133 . 1 1 100 100 THR N N 15 124.083 0.12 . 1 . . . . 100 THR N . 16711 1 1134 . 1 1 101 101 LEU H H 1 8.942 0.006 . 1 . . . . 101 LEU H . 16711 1 1135 . 1 1 101 101 LEU HA H 1 5.078 0.006 . 1 . . . . 101 LEU HA . 16711 1 1136 . 1 1 101 101 LEU HB2 H 1 1.225 0.006 . 2 . . . . 101 LEU HB2 . 16711 1 1137 . 1 1 101 101 LEU HB3 H 1 1.682 0.006 . 2 . . . . 101 LEU HB3 . 16711 1 1138 . 1 1 101 101 LEU HD11 H 1 1.049 0.006 . 1 . . . . 101 LEU QD1 . 16711 1 1139 . 1 1 101 101 LEU HD12 H 1 1.049 0.006 . 1 . . . . 101 LEU QD1 . 16711 1 1140 . 1 1 101 101 LEU HD13 H 1 1.049 0.006 . 1 . . . . 101 LEU QD1 . 16711 1 1141 . 1 1 101 101 LEU HD21 H 1 0.674 0.006 . 1 . . . . 101 LEU QD2 . 16711 1 1142 . 1 1 101 101 LEU HD22 H 1 0.674 0.006 . 1 . . . . 101 LEU QD2 . 16711 1 1143 . 1 1 101 101 LEU HD23 H 1 0.674 0.006 . 1 . . . . 101 LEU QD2 . 16711 1 1144 . 1 1 101 101 LEU HG H 1 1.500 0.006 . 1 . . . . 101 LEU HG . 16711 1 1145 . 1 1 101 101 LEU CA C 13 53.702 0.16 . 1 . . . . 101 LEU CA . 16711 1 1146 . 1 1 101 101 LEU CB C 13 45.413 0.16 . 1 . . . . 101 LEU CB . 16711 1 1147 . 1 1 101 101 LEU CD1 C 13 21.475 0.16 . 2 . . . . 101 LEU CD1 . 16711 1 1148 . 1 1 101 101 LEU CD2 C 13 25.689 0.16 . 2 . . . . 101 LEU CD2 . 16711 1 1149 . 1 1 101 101 LEU CG C 13 28.279 0.16 . 1 . . . . 101 LEU CG . 16711 1 1150 . 1 1 101 101 LEU N N 15 125.577 0.12 . 1 . . . . 101 LEU N . 16711 1 1151 . 1 1 102 102 ALA H H 1 8.863 0.006 . 1 . . . . 102 ALA H . 16711 1 1152 . 1 1 102 102 ALA HA H 1 5.530 0.006 . 1 . . . . 102 ALA HA . 16711 1 1153 . 1 1 102 102 ALA HB1 H 1 1.320 0.006 . 1 . . . . 102 ALA QB . 16711 1 1154 . 1 1 102 102 ALA HB2 H 1 1.320 0.006 . 1 . . . . 102 ALA QB . 16711 1 1155 . 1 1 102 102 ALA HB3 H 1 1.320 0.006 . 1 . . . . 102 ALA QB . 16711 1 1156 . 1 1 102 102 ALA CA C 13 51.868 0.16 . 1 . . . . 102 ALA CA . 16711 1 1157 . 1 1 102 102 ALA CB C 13 24.078 0.16 . 1 . . . . 102 ALA CB . 16711 1 1158 . 1 1 102 102 ALA N N 15 124.662 0.12 . 1 . . . . 102 ALA N . 16711 1 1159 . 1 1 103 103 THR H H 1 9.049 0.006 . 1 . . . . 103 THR H . 16711 1 1160 . 1 1 103 103 THR HA H 1 4.828 0.006 . 1 . . . . 103 THR HA . 16711 1 1161 . 1 1 103 103 THR HB H 1 4.689 0.006 . 1 . . . . 103 THR HB . 16711 1 1162 . 1 1 103 103 THR HG21 H 1 1.328 0.006 . 1 . . . . 103 THR QG2 . 16711 1 1163 . 1 1 103 103 THR HG22 H 1 1.328 0.006 . 1 . . . . 103 THR QG2 . 16711 1 1164 . 1 1 103 103 THR HG23 H 1 1.328 0.006 . 1 . . . . 103 THR QG2 . 16711 1 1165 . 1 1 103 103 THR CA C 13 59.818 0.16 . 1 . . . . 103 THR CA . 16711 1 1166 . 1 1 103 103 THR CB C 13 72.020 0.16 . 1 . . . . 103 THR CB . 16711 1 1167 . 1 1 103 103 THR CG2 C 13 23.510 0.16 . 1 . . . . 103 THR CG2 . 16711 1 1168 . 1 1 103 103 THR N N 15 113.849 0.12 . 1 . . . . 103 THR N . 16711 1 1169 . 1 1 104 104 ALA H H 1 8.731 0.006 . 1 . . . . 104 ALA H . 16711 1 1170 . 1 1 104 104 ALA HA H 1 4.071 0.006 . 1 . . . . 104 ALA HA . 16711 1 1171 . 1 1 104 104 ALA HB1 H 1 1.392 0.006 . 1 . . . . 104 ALA QB . 16711 1 1172 . 1 1 104 104 ALA HB2 H 1 1.392 0.006 . 1 . . . . 104 ALA QB . 16711 1 1173 . 1 1 104 104 ALA HB3 H 1 1.392 0.006 . 1 . . . . 104 ALA QB . 16711 1 1174 . 1 1 104 104 ALA CA C 13 55.177 0.16 . 1 . . . . 104 ALA CA . 16711 1 1175 . 1 1 104 104 ALA CB C 13 18.679 0.16 . 1 . . . . 104 ALA CB . 16711 1 1176 . 1 1 104 104 ALA N N 15 120.571 0.12 . 1 . . . . 104 ALA N . 16711 1 1177 . 1 1 105 105 LYS H H 1 7.780 0.006 . 1 . . . . 105 LYS H . 16711 1 1178 . 1 1 105 105 LYS HA H 1 4.351 0.006 . 1 . . . . 105 LYS HA . 16711 1 1179 . 1 1 105 105 LYS HB2 H 1 1.650 0.006 . 2 . . . . 105 LYS HB2 . 16711 1 1180 . 1 1 105 105 LYS HB3 H 1 1.844 0.006 . 2 . . . . 105 LYS HB3 . 16711 1 1181 . 1 1 105 105 LYS HE2 H 1 2.904 0.006 . 2 . . . . 105 LYS QE . 16711 1 1182 . 1 1 105 105 LYS HE3 H 1 2.904 0.006 . 2 . . . . 105 LYS QE . 16711 1 1183 . 1 1 105 105 LYS HG2 H 1 1.303 0.006 . 2 . . . . 105 LYS HG2 . 16711 1 1184 . 1 1 105 105 LYS HG3 H 1 1.365 0.006 . 2 . . . . 105 LYS HG3 . 16711 1 1185 . 1 1 105 105 LYS CA C 13 56.651 0.16 . 1 . . . . 105 LYS CA . 16711 1 1186 . 1 1 105 105 LYS CB C 13 35.561 0.16 . 1 . . . . 105 LYS CB . 16711 1 1187 . 1 1 105 105 LYS CE C 13 42.424 0.16 . 1 . . . . 105 LYS CE . 16711 1 1188 . 1 1 105 105 LYS CG C 13 25.533 0.16 . 1 . . . . 105 LYS CG . 16711 1 1189 . 1 1 105 105 LYS N N 15 112.145 0.12 . 1 . . . . 105 LYS N . 16711 1 1190 . 1 1 106 106 GLN H H 1 7.307 0.006 . 1 . . . . 106 GLN H . 16711 1 1191 . 1 1 106 106 GLN HA H 1 5.096 0.006 . 1 . . . . 106 GLN HA . 16711 1 1192 . 1 1 106 106 GLN HB2 H 1 2.197 0.006 . 2 . . . . 106 GLN HB2 . 16711 1 1193 . 1 1 106 106 GLN HB3 H 1 2.061 0.006 . 2 . . . . 106 GLN HB3 . 16711 1 1194 . 1 1 106 106 GLN HE21 H 1 6.543 0.006 . 2 . . . . 106 GLN HE21 . 16711 1 1195 . 1 1 106 106 GLN HE22 H 1 7.180 0.006 . 2 . . . . 106 GLN HE22 . 16711 1 1196 . 1 1 106 106 GLN HG2 H 1 1.949 0.006 . 2 . . . . 106 GLN HG2 . 16711 1 1197 . 1 1 106 106 GLN HG3 H 1 1.669 0.006 . 2 . . . . 106 GLN HG3 . 16711 1 1198 . 1 1 106 106 GLN CA C 13 54.616 0.16 . 1 . . . . 106 GLN CA . 16711 1 1199 . 1 1 106 106 GLN CB C 13 32.855 0.16 . 1 . . . . 106 GLN CB . 16711 1 1200 . 1 1 106 106 GLN CG C 13 32.999 0.16 . 1 . . . . 106 GLN CG . 16711 1 1201 . 1 1 106 106 GLN N N 15 117.008 0.12 . 1 . . . . 106 GLN N . 16711 1 1202 . 1 1 106 106 GLN NE2 N 15 109.923 0.12 . 1 . . . . 106 GLN NE2 . 16711 1 1203 . 1 1 107 107 THR H H 1 8.540 0.006 . 1 . . . . 107 THR H . 16711 1 1204 . 1 1 107 107 THR HA H 1 4.990 0.006 . 1 . . . . 107 THR HA . 16711 1 1205 . 1 1 107 107 THR HB H 1 3.837 0.006 . 1 . . . . 107 THR HB . 16711 1 1206 . 1 1 107 107 THR HG21 H 1 1.050 0.006 . 1 . . . . 107 THR QG2 . 16711 1 1207 . 1 1 107 107 THR HG22 H 1 1.050 0.006 . 1 . . . . 107 THR QG2 . 16711 1 1208 . 1 1 107 107 THR HG23 H 1 1.050 0.006 . 1 . . . . 107 THR QG2 . 16711 1 1209 . 1 1 107 107 THR CA C 13 62.085 0.16 . 1 . . . . 107 THR CA . 16711 1 1210 . 1 1 107 107 THR CB C 13 71.760 0.16 . 1 . . . . 107 THR CB . 16711 1 1211 . 1 1 107 107 THR CG2 C 13 22.091 0.16 . 1 . . . . 107 THR CG2 . 16711 1 1212 . 1 1 107 107 THR N N 15 115.842 0.12 . 1 . . . . 107 THR N . 16711 1 1213 . 1 1 108 108 LEU H H 1 9.271 0.006 . 1 . . . . 108 LEU H . 16711 1 1214 . 1 1 108 108 LEU HA H 1 4.956 0.006 . 1 . . . . 108 LEU HA . 16711 1 1215 . 1 1 108 108 LEU HB2 H 1 1.804 0.006 . 2 . . . . 108 LEU HB2 . 16711 1 1216 . 1 1 108 108 LEU HB3 H 1 1.302 0.006 . 2 . . . . 108 LEU HB3 . 16711 1 1217 . 1 1 108 108 LEU HD11 H 1 0.852 0.006 . 1 . . . . 108 LEU QD1 . 16711 1 1218 . 1 1 108 108 LEU HD12 H 1 0.852 0.006 . 1 . . . . 108 LEU QD1 . 16711 1 1219 . 1 1 108 108 LEU HD13 H 1 0.852 0.006 . 1 . . . . 108 LEU QD1 . 16711 1 1220 . 1 1 108 108 LEU HD21 H 1 0.829 0.006 . 1 . . . . 108 LEU QD2 . 16711 1 1221 . 1 1 108 108 LEU HD22 H 1 0.829 0.006 . 1 . . . . 108 LEU QD2 . 16711 1 1222 . 1 1 108 108 LEU HD23 H 1 0.829 0.006 . 1 . . . . 108 LEU QD2 . 16711 1 1223 . 1 1 108 108 LEU HG H 1 1.490 0.006 . 1 . . . . 108 LEU HG . 16711 1 1224 . 1 1 108 108 LEU CA C 13 53.970 0.16 . 1 . . . . 108 LEU CA . 16711 1 1225 . 1 1 108 108 LEU CB C 13 45.767 0.16 . 1 . . . . 108 LEU CB . 16711 1 1226 . 1 1 108 108 LEU CD1 C 13 27.527 0.16 . 2 . . . . 108 LEU CD1 . 16711 1 1227 . 1 1 108 108 LEU CD2 C 13 25.230 0.16 . 2 . . . . 108 LEU CD2 . 16711 1 1228 . 1 1 108 108 LEU CG C 13 27.894 0.16 . 1 . . . . 108 LEU CG . 16711 1 1229 . 1 1 108 108 LEU N N 15 127.855 0.12 . 1 . . . . 108 LEU N . 16711 1 1230 . 1 1 109 109 THR H H 1 8.374 0.006 . 1 . . . . 109 THR H . 16711 1 1231 . 1 1 109 109 THR HA H 1 5.216 0.006 . 1 . . . . 109 THR HA . 16711 1 1232 . 1 1 109 109 THR HB H 1 3.912 0.006 . 1 . . . . 109 THR HB . 16711 1 1233 . 1 1 109 109 THR HG21 H 1 1.069 0.006 . 1 . . . . 109 THR QG2 . 16711 1 1234 . 1 1 109 109 THR HG22 H 1 1.069 0.006 . 1 . . . . 109 THR QG2 . 16711 1 1235 . 1 1 109 109 THR HG23 H 1 1.069 0.006 . 1 . . . . 109 THR QG2 . 16711 1 1236 . 1 1 109 109 THR CA C 13 62.333 0.16 . 1 . . . . 109 THR CA . 16711 1 1237 . 1 1 109 109 THR CB C 13 70.523 0.16 . 1 . . . . 109 THR CB . 16711 1 1238 . 1 1 109 109 THR CG2 C 13 22.297 0.16 . 1 . . . . 109 THR CG2 . 16711 1 1239 . 1 1 109 109 THR N N 15 116.534 0.12 . 1 . . . . 109 THR N . 16711 1 1240 . 1 1 110 110 TYR H H 1 10.100 0.006 . 1 . . . . 110 TYR H . 16711 1 1241 . 1 1 110 110 TYR HA H 1 5.309 0.006 . 1 . . . . 110 TYR HA . 16711 1 1242 . 1 1 110 110 TYR HB2 H 1 2.899 0.006 . 2 . . . . 110 TYR HB2 . 16711 1 1243 . 1 1 110 110 TYR HB3 H 1 2.964 0.006 . 2 . . . . 110 TYR HB3 . 16711 1 1244 . 1 1 110 110 TYR HD1 H 1 6.641 0.006 . 3 . . . . 110 TYR HD1 . 16711 1 1245 . 1 1 110 110 TYR HD2 H 1 6.734 0.006 . 3 . . . . 110 TYR HD2 . 16711 1 1246 . 1 1 110 110 TYR HE1 H 1 6.388 0.006 . 3 . . . . 110 TYR HE1 . 16711 1 1247 . 1 1 110 110 TYR HE2 H 1 6.388 0.006 . 3 . . . . 110 TYR HE2 . 16711 1 1248 . 1 1 110 110 TYR CA C 13 56.430 0.16 . 1 . . . . 110 TYR CA . 16711 1 1249 . 1 1 110 110 TYR CB C 13 44.317 0.16 . 1 . . . . 110 TYR CB . 16711 1 1250 . 1 1 110 110 TYR CD1 C 13 132.461 0.16 . 3 . . . . 110 TYR CD1 . 16711 1 1251 . 1 1 110 110 TYR CD2 C 13 132.461 0.16 . 3 . . . . 110 TYR CD2 . 16711 1 1252 . 1 1 110 110 TYR CE1 C 13 117.926 0.16 . 3 . . . . 110 TYR CE1 . 16711 1 1253 . 1 1 110 110 TYR CE2 C 13 116.256 0.16 . 3 . . . . 110 TYR CE2 . 16711 1 1254 . 1 1 110 110 TYR N N 15 125.993 0.12 . 1 . . . . 110 TYR N . 16711 1 1255 . 1 1 111 111 LYS H H 1 9.605 0.006 . 1 . . . . 111 LYS H . 16711 1 1256 . 1 1 111 111 LYS HA H 1 5.409 0.006 . 1 . . . . 111 LYS HA . 16711 1 1257 . 1 1 111 111 LYS HB2 H 1 1.826 0.006 . 2 . . . . 111 LYS HB2 . 16711 1 1258 . 1 1 111 111 LYS HD2 H 1 1.670 0.006 . 2 . . . . 111 LYS HD2 . 16711 1 1259 . 1 1 111 111 LYS HE2 H 1 2.912 0.006 . 2 . . . . 111 LYS QE . 16711 1 1260 . 1 1 111 111 LYS HE3 H 1 2.912 0.006 . 2 . . . . 111 LYS QE . 16711 1 1261 . 1 1 111 111 LYS HG3 H 1 1.443 0.006 . 2 . . . . 111 LYS HG3 . 16711 1 1262 . 1 1 111 111 LYS CA C 13 54.114 0.16 . 1 . . . . 111 LYS CA . 16711 1 1263 . 1 1 111 111 LYS CB C 13 35.944 0.16 . 1 . . . . 111 LYS CB . 16711 1 1264 . 1 1 111 111 LYS CD C 13 29.493 0.16 . 1 . . . . 111 LYS CD . 16711 1 1265 . 1 1 111 111 LYS CE C 13 42.424 0.16 . 1 . . . . 111 LYS CE . 16711 1 1266 . 1 1 111 111 LYS CG C 13 24.745 0.16 . 1 . . . . 111 LYS CG . 16711 1 1267 . 1 1 111 111 LYS N N 15 120.280 0.12 . 1 . . . . 111 LYS N . 16711 1 1268 . 1 1 112 112 LEU H H 1 8.506 0.006 . 1 . . . . 112 LEU H . 16711 1 1269 . 1 1 112 112 LEU HA H 1 3.785 0.006 . 1 . . . . 112 LEU HA . 16711 1 1270 . 1 1 112 112 LEU HB2 H 1 1.210 0.006 . 2 . . . . 112 LEU HB2 . 16711 1 1271 . 1 1 112 112 LEU HB3 H 1 1.718 0.006 . 2 . . . . 112 LEU HB3 . 16711 1 1272 . 1 1 112 112 LEU HD11 H 1 0.680 0.006 . 1 . . . . 112 LEU QD1 . 16711 1 1273 . 1 1 112 112 LEU HD12 H 1 0.680 0.006 . 1 . . . . 112 LEU QD1 . 16711 1 1274 . 1 1 112 112 LEU HD13 H 1 0.680 0.006 . 1 . . . . 112 LEU QD1 . 16711 1 1275 . 1 1 112 112 LEU HD21 H 1 0.333 0.006 . 1 . . . . 112 LEU QD2 . 16711 1 1276 . 1 1 112 112 LEU HD22 H 1 0.333 0.006 . 1 . . . . 112 LEU QD2 . 16711 1 1277 . 1 1 112 112 LEU HD23 H 1 0.333 0.006 . 1 . . . . 112 LEU QD2 . 16711 1 1278 . 1 1 112 112 LEU HG H 1 1.388 0.006 . 1 . . . . 112 LEU HG . 16711 1 1279 . 1 1 112 112 LEU CA C 13 57.623 0.16 . 1 . . . . 112 LEU CA . 16711 1 1280 . 1 1 112 112 LEU CB C 13 42.901 0.16 . 1 . . . . 112 LEU CB . 16711 1 1281 . 1 1 112 112 LEU CD1 C 13 26.326 0.16 . 2 . . . . 112 LEU CD1 . 16711 1 1282 . 1 1 112 112 LEU CD2 C 13 23.513 0.16 . 2 . . . . 112 LEU CD2 . 16711 1 1283 . 1 1 112 112 LEU CG C 13 27.152 0.16 . 1 . . . . 112 LEU CG . 16711 1 1284 . 1 1 112 112 LEU N N 15 126.477 0.12 . 1 . . . . 112 LEU N . 16711 1 1285 . 1 1 113 113 ALA H H 1 9.177 0.006 . 1 . . . . 113 ALA H . 16711 1 1286 . 1 1 113 113 ALA HA H 1 4.499 0.006 . 1 . . . . 113 ALA HA . 16711 1 1287 . 1 1 113 113 ALA HB1 H 1 1.155 0.006 . 1 . . . . 113 ALA QB . 16711 1 1288 . 1 1 113 113 ALA HB2 H 1 1.155 0.006 . 1 . . . . 113 ALA QB . 16711 1 1289 . 1 1 113 113 ALA HB3 H 1 1.155 0.006 . 1 . . . . 113 ALA QB . 16711 1 1290 . 1 1 113 113 ALA CA C 13 51.833 0.16 . 1 . . . . 113 ALA CA . 16711 1 1291 . 1 1 113 113 ALA CB C 13 20.328 0.16 . 1 . . . . 113 ALA CB . 16711 1 1292 . 1 1 113 113 ALA N N 15 133.192 0.12 . 1 . . . . 113 ALA N . 16711 1 1293 . 1 1 114 114 ASP H H 1 7.683 0.006 . 1 . . . . 114 ASP H . 16711 1 1294 . 1 1 114 114 ASP HA H 1 4.641 0.006 . 1 . . . . 114 ASP HA . 16711 1 1295 . 1 1 114 114 ASP HB2 H 1 2.663 0.006 . 2 . . . . 114 ASP HB2 . 16711 1 1296 . 1 1 114 114 ASP HB3 H 1 2.427 0.006 . 2 . . . . 114 ASP HB3 . 16711 1 1297 . 1 1 114 114 ASP CA C 13 55.918 0.16 . 1 . . . . 114 ASP CA . 16711 1 1298 . 1 1 114 114 ASP CB C 13 41.271 0.16 . 1 . . . . 114 ASP CB . 16711 1 1299 . 1 1 114 114 ASP N N 15 120.812 0.12 . 1 . . . . 114 ASP N . 16711 1 1300 . 1 1 115 115 LEU H H 1 8.421 0.006 . 1 . . . . 115 LEU H . 16711 1 1301 . 1 1 115 115 LEU HA H 1 4.294 0.006 . 1 . . . . 115 LEU HA . 16711 1 1302 . 1 1 115 115 LEU HB2 H 1 1.471 0.006 . 2 . . . . 115 LEU HB2 . 16711 1 1303 . 1 1 115 115 LEU HB3 H 1 1.581 0.006 . 2 . . . . 115 LEU HB3 . 16711 1 1304 . 1 1 115 115 LEU HD11 H 1 0.766 0.006 . 1 . . . . 115 LEU QD1 . 16711 1 1305 . 1 1 115 115 LEU HD12 H 1 0.766 0.006 . 1 . . . . 115 LEU QD1 . 16711 1 1306 . 1 1 115 115 LEU HD13 H 1 0.766 0.006 . 1 . . . . 115 LEU QD1 . 16711 1 1307 . 1 1 115 115 LEU HD21 H 1 0.820 0.006 . 1 . . . . 115 LEU QD2 . 16711 1 1308 . 1 1 115 115 LEU HD22 H 1 0.820 0.006 . 1 . . . . 115 LEU QD2 . 16711 1 1309 . 1 1 115 115 LEU HD23 H 1 0.820 0.006 . 1 . . . . 115 LEU QD2 . 16711 1 1310 . 1 1 115 115 LEU HG H 1 1.551 0.006 . 1 . . . . 115 LEU HG . 16711 1 1311 . 1 1 115 115 LEU CA C 13 55.132 0.16 . 1 . . . . 115 LEU CA . 16711 1 1312 . 1 1 115 115 LEU CB C 13 42.671 0.16 . 1 . . . . 115 LEU CB . 16711 1 1313 . 1 1 115 115 LEU CD1 C 13 23.346 0.16 . 2 . . . . 115 LEU CD1 . 16711 1 1314 . 1 1 115 115 LEU CD2 C 13 25.283 0.16 . 2 . . . . 115 LEU CD2 . 16711 1 1315 . 1 1 115 115 LEU CG C 13 27.273 0.16 . 1 . . . . 115 LEU CG . 16711 1 1316 . 1 1 115 115 LEU N N 15 121.673 0.12 . 1 . . . . 115 LEU N . 16711 1 1317 . 1 1 116 116 MET H H 1 8.289 0.006 . 1 . . . . 116 MET H . 16711 1 1318 . 1 1 116 116 MET HA H 1 4.423 0.006 . 1 . . . . 116 MET HA . 16711 1 1319 . 1 1 116 116 MET HB2 H 1 2.046 0.006 . 2 . . . . 116 MET HB2 . 16711 1 1320 . 1 1 116 116 MET HB3 H 1 1.898 0.006 . 2 . . . . 116 MET HB3 . 16711 1 1321 . 1 1 116 116 MET HE1 H 1 2.010 0.006 . 1 . . . . 116 MET QE . 16711 1 1322 . 1 1 116 116 MET HE2 H 1 2.010 0.006 . 1 . . . . 116 MET QE . 16711 1 1323 . 1 1 116 116 MET HE3 H 1 2.010 0.006 . 1 . . . . 116 MET QE . 16711 1 1324 . 1 1 116 116 MET HG2 H 1 2.446 0.006 . 2 . . . . 116 MET HG2 . 16711 1 1325 . 1 1 116 116 MET HG3 H 1 2.527 0.006 . 2 . . . . 116 MET HG3 . 16711 1 1326 . 1 1 116 116 MET CA C 13 55.515 0.16 . 1 . . . . 116 MET CA . 16711 1 1327 . 1 1 116 116 MET CB C 13 33.318 0.16 . 1 . . . . 116 MET CB . 16711 1 1328 . 1 1 116 116 MET CE C 13 17.057 0.16 . 1 . . . . 116 MET CE . 16711 1 1329 . 1 1 116 116 MET CG C 13 32.381 0.16 . 1 . . . . 116 MET CG . 16711 1 1330 . 1 1 116 116 MET N N 15 121.126 0.12 . 1 . . . . 116 MET N . 16711 1 1331 . 1 1 117 117 ASN H H 1 7.906 0.006 . 1 . . . . 117 ASN H . 16711 1 1332 . 1 1 117 117 ASN HA H 1 4.374 0.006 . 1 . . . . 117 ASN HA . 16711 1 1333 . 1 1 117 117 ASN HB2 H 1 2.586 0.006 . 2 . . . . 117 ASN HB2 . 16711 1 1334 . 1 1 117 117 ASN HB3 H 1 2.672 0.006 . 2 . . . . 117 ASN HB3 . 16711 1 1335 . 1 1 117 117 ASN HD21 H 1 7.410 0.006 . 2 . . . . 117 ASN HD21 . 16711 1 1336 . 1 1 117 117 ASN HD22 H 1 6.679 0.006 . 2 . . . . 117 ASN HD22 . 16711 1 1337 . 1 1 117 117 ASN CA C 13 55.033 0.16 . 1 . . . . 117 ASN CA . 16711 1 1338 . 1 1 117 117 ASN CB C 13 40.698 0.16 . 1 . . . . 117 ASN CB . 16711 1 1339 . 1 1 117 117 ASN N N 15 125.035 0.12 . 1 . . . . 117 ASN N . 16711 1 1340 . 1 1 117 117 ASN ND2 N 15 112.400 0.12 . 1 . . . . 117 ASN ND2 . 16711 1 stop_ save_