data_6797 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 6797 _Entry.Title ; NMR assignment of the outer membrane lipoprotein (OmlA) from Xanthomonas axonopodis pv citri ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2005-08-29 _Entry.Accession_date 2005-08-29 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version . _Entry.Experimental_method NMR _Entry.Experimental_method_subtype . _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Marina Vanini . 'M. T.' . 6797 2 Celso Benedetti . E. . 6797 3 Alberto Spisni . . . 6797 4 Thelma Pertinhez . A. . 6797 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 6797 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 530 6797 '15N chemical shifts' 139 6797 '1H chemical shifts' 843 6797 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2007-02-08 2005-08-29 update BMRB 'complete entry citation' 6797 1 . . 2006-04-11 2005-08-29 original author 'original release' 6797 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2PXG 'BMRB Entry Tracking System' 6797 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 6797 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 16596342 _Citation.Full_citation . _Citation.Title ; NMR Assignment of the Outer Membrane Lipoprotein (OmlA) from Xanthomonas axonopodis pv citri. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biomol. NMR' _Citation.Journal_name_full . _Citation.Journal_volume 36 _Citation.Journal_issue 'Suppl. 5' _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 34 _Citation.Page_last 34 _Citation.Year 2006 _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 Marina Vanini . 'M. T.' . 6797 1 2 Celso Benedetti . E. . 6797 1 3 Alberto Spisni . . . 6797 1 4 Thelma Pertinhez . A. . 6797 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 6797 _Assembly.ID 1 _Assembly.Name OmlA _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands 0 _Assembly.Metal_ions 0 _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states no _Assembly.Ambiguous_chem_comp_sites no _Assembly.Molecules_in_chemical_exchange no _Assembly.Paramagnetic no _Assembly.Thiol_state 'not present' _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 OmlA 1 $Outer_membrane_lipoprotein . . yes native no no . 'no ligands' . 6797 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_Outer_membrane_lipoprotein _Entity.Sf_category entity _Entity.Sf_framecode Outer_membrane_lipoprotein _Entity.Entry_ID 6797 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name OmlA _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID . _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; MAGSGIIYKQPIYQGNLIKQ NAVEQLQVGQSKQQVSALLG TPSIPDPFHAQRWDYTSTQR VDRLARTEIKNFTVFFENEQ VVRWEGDYFPSQDEQLAKAA PKQFGRNLARDKKKQRGR ; _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 118 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method . _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13583.3 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-01-28 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2PXG . "Nmr Solution Structure Of Omla" . . . . . 100.00 118 100.00 100.00 2.97e-80 . . . . 6797 1 2 no EMBL CAJ23191 . "putative outer membrane protein [Xanthomonas campestris pv. vesicatoria str. 85-10]" . . . . . 99.15 131 98.29 98.29 1.65e-78 . . . . 6797 1 3 no EMBL CCF66967 . "outer membrane protein [Xanthomonas axonopodis pv. punicae str. LMG 859]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 4 no EMBL CCG35991 . "outer membrane protein [Xanthomonas citri pv. mangiferaeindicae LMG 941]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 5 no EMBL CDF62460 . "outer membrane lipoprotein A-OmlA [Xanthomonas fuscans subsp. fuscans]" . . . . . 99.15 131 98.29 98.29 1.57e-78 . . . . 6797 1 6 no EMBL CDN18877 . "outer membrane protein [Xanthomonas campestris pv. viticola]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 7 no GB AAM36385 . "outer membrane protein [Xanthomonas axonopodis pv. citri str. 306]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 8 no GB AEO41768 . "outer membrane protein [Xanthomonas axonopodis pv. citrumelo F1]" . . . . . 99.15 131 98.29 98.29 1.65e-78 . . . . 6797 1 9 no GB AGH77020 . "hypothetical protein XAC29_07640 [Xanthomonas axonopodis Xac29-1]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 10 no GB AGI08588 . "Small protein A (tmRNA-binding) [Xanthomonas citri subsp. citri Aw12879]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 11 no GB AJD68111 . "Beta-barrel assembly machine subunit BamE [Xanthomonas citri subsp. citri A306]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 12 no REF NP_641849 . "hypothetical protein XAC1516 [Xanthomonas axonopodis pv. citri str. 306]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 13 no REF WP_003483624 . "MULTISPECIES: membrane protein [Xanthomonas]" . . . . . 99.15 131 99.15 99.15 3.67e-79 . . . . 6797 1 14 no REF WP_007964666 . "membrane protein [Xanthomonas fuscans]" . . . . . 99.15 131 98.29 98.29 1.57e-78 . . . . 6797 1 15 no REF WP_007973263 . "membrane protein [Xanthomonas fuscans]" . . . . . 99.15 131 97.44 97.44 8.88e-78 . . . . 6797 1 16 no REF WP_008577244 . "MULTISPECIES: membrane protein [Xanthomonas]" . . . . . 99.15 131 98.29 98.29 1.65e-78 . . . . 6797 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID unknown 6797 1 stop_ loop_ _Entity_common_name.Name _Entity_common_name.Type _Entity_common_name.Entry_ID _Entity_common_name.Entity_ID OmlA . 6797 1 stop_ loop_ _Entity_keyword.Keyword _Entity_keyword.Entry_ID _Entity_keyword.Entity_ID 'Outer membrane lipoprotein' 6797 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 . 6797 1 2 . ALA . 6797 1 3 . GLY . 6797 1 4 . SER . 6797 1 5 . GLY . 6797 1 6 . ILE . 6797 1 7 . ILE . 6797 1 8 . TYR . 6797 1 9 . LYS . 6797 1 10 . GLN . 6797 1 11 . PRO . 6797 1 12 . ILE . 6797 1 13 . TYR . 6797 1 14 . GLN . 6797 1 15 . GLY . 6797 1 16 . ASN . 6797 1 17 . LEU . 6797 1 18 . ILE . 6797 1 19 . LYS . 6797 1 20 . GLN . 6797 1 21 . ASN . 6797 1 22 . ALA . 6797 1 23 . VAL . 6797 1 24 . GLU . 6797 1 25 . GLN . 6797 1 26 . LEU . 6797 1 27 . GLN . 6797 1 28 . VAL . 6797 1 29 . GLY . 6797 1 30 . GLN . 6797 1 31 . SER . 6797 1 32 . LYS . 6797 1 33 . GLN . 6797 1 34 . GLN . 6797 1 35 . VAL . 6797 1 36 . SER . 6797 1 37 . ALA . 6797 1 38 . LEU . 6797 1 39 . LEU . 6797 1 40 . GLY . 6797 1 41 . THR . 6797 1 42 . PRO . 6797 1 43 . SER . 6797 1 44 . ILE . 6797 1 45 . PRO . 6797 1 46 . ASP . 6797 1 47 . PRO . 6797 1 48 . PHE . 6797 1 49 . HIS . 6797 1 50 . ALA . 6797 1 51 . GLN . 6797 1 52 . ARG . 6797 1 53 . TRP . 6797 1 54 . ASP . 6797 1 55 . TYR . 6797 1 56 . THR . 6797 1 57 . SER . 6797 1 58 . THR . 6797 1 59 . GLN . 6797 1 60 . ARG . 6797 1 61 . VAL . 6797 1 62 . ASP . 6797 1 63 . ARG . 6797 1 64 . LEU . 6797 1 65 . ALA . 6797 1 66 . ARG . 6797 1 67 . THR . 6797 1 68 . GLU . 6797 1 69 . ILE . 6797 1 70 . LYS . 6797 1 71 . ASN . 6797 1 72 . PHE . 6797 1 73 . THR . 6797 1 74 . VAL . 6797 1 75 . PHE . 6797 1 76 . PHE . 6797 1 77 . GLU . 6797 1 78 . ASN . 6797 1 79 . GLU . 6797 1 80 . GLN . 6797 1 81 . VAL . 6797 1 82 . VAL . 6797 1 83 . ARG . 6797 1 84 . TRP . 6797 1 85 . GLU . 6797 1 86 . GLY . 6797 1 87 . ASP . 6797 1 88 . TYR . 6797 1 89 . PHE . 6797 1 90 . PRO . 6797 1 91 . SER . 6797 1 92 . GLN . 6797 1 93 . ASP . 6797 1 94 . GLU . 6797 1 95 . GLN . 6797 1 96 . LEU . 6797 1 97 . ALA . 6797 1 98 . LYS . 6797 1 99 . ALA . 6797 1 100 . ALA . 6797 1 101 . PRO . 6797 1 102 . LYS . 6797 1 103 . GLN . 6797 1 104 . PHE . 6797 1 105 . GLY . 6797 1 106 . ARG . 6797 1 107 . ASN . 6797 1 108 . LEU . 6797 1 109 . ALA . 6797 1 110 . ARG . 6797 1 111 . ASP . 6797 1 112 . LYS . 6797 1 113 . LYS . 6797 1 114 . LYS . 6797 1 115 . GLN . 6797 1 116 . ARG . 6797 1 117 . GLY . 6797 1 118 . ARG . 6797 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 6797 1 . ALA 2 2 6797 1 . GLY 3 3 6797 1 . SER 4 4 6797 1 . GLY 5 5 6797 1 . ILE 6 6 6797 1 . ILE 7 7 6797 1 . TYR 8 8 6797 1 . LYS 9 9 6797 1 . GLN 10 10 6797 1 . PRO 11 11 6797 1 . ILE 12 12 6797 1 . TYR 13 13 6797 1 . GLN 14 14 6797 1 . GLY 15 15 6797 1 . ASN 16 16 6797 1 . LEU 17 17 6797 1 . ILE 18 18 6797 1 . LYS 19 19 6797 1 . GLN 20 20 6797 1 . ASN 21 21 6797 1 . ALA 22 22 6797 1 . VAL 23 23 6797 1 . GLU 24 24 6797 1 . GLN 25 25 6797 1 . LEU 26 26 6797 1 . GLN 27 27 6797 1 . VAL 28 28 6797 1 . GLY 29 29 6797 1 . GLN 30 30 6797 1 . SER 31 31 6797 1 . LYS 32 32 6797 1 . GLN 33 33 6797 1 . GLN 34 34 6797 1 . VAL 35 35 6797 1 . SER 36 36 6797 1 . ALA 37 37 6797 1 . LEU 38 38 6797 1 . LEU 39 39 6797 1 . GLY 40 40 6797 1 . THR 41 41 6797 1 . PRO 42 42 6797 1 . SER 43 43 6797 1 . ILE 44 44 6797 1 . PRO 45 45 6797 1 . ASP 46 46 6797 1 . PRO 47 47 6797 1 . PHE 48 48 6797 1 . HIS 49 49 6797 1 . ALA 50 50 6797 1 . GLN 51 51 6797 1 . ARG 52 52 6797 1 . TRP 53 53 6797 1 . ASP 54 54 6797 1 . TYR 55 55 6797 1 . THR 56 56 6797 1 . SER 57 57 6797 1 . THR 58 58 6797 1 . GLN 59 59 6797 1 . ARG 60 60 6797 1 . VAL 61 61 6797 1 . ASP 62 62 6797 1 . ARG 63 63 6797 1 . LEU 64 64 6797 1 . ALA 65 65 6797 1 . ARG 66 66 6797 1 . THR 67 67 6797 1 . GLU 68 68 6797 1 . ILE 69 69 6797 1 . LYS 70 70 6797 1 . ASN 71 71 6797 1 . PHE 72 72 6797 1 . THR 73 73 6797 1 . VAL 74 74 6797 1 . PHE 75 75 6797 1 . PHE 76 76 6797 1 . GLU 77 77 6797 1 . ASN 78 78 6797 1 . GLU 79 79 6797 1 . GLN 80 80 6797 1 . VAL 81 81 6797 1 . VAL 82 82 6797 1 . ARG 83 83 6797 1 . TRP 84 84 6797 1 . GLU 85 85 6797 1 . GLY 86 86 6797 1 . ASP 87 87 6797 1 . TYR 88 88 6797 1 . PHE 89 89 6797 1 . PRO 90 90 6797 1 . SER 91 91 6797 1 . GLN 92 92 6797 1 . ASP 93 93 6797 1 . GLU 94 94 6797 1 . GLN 95 95 6797 1 . LEU 96 96 6797 1 . ALA 97 97 6797 1 . LYS 98 98 6797 1 . ALA 99 99 6797 1 . ALA 100 100 6797 1 . PRO 101 101 6797 1 . LYS 102 102 6797 1 . GLN 103 103 6797 1 . PHE 104 104 6797 1 . GLY 105 105 6797 1 . ARG 106 106 6797 1 . ASN 107 107 6797 1 . LEU 108 108 6797 1 . ALA 109 109 6797 1 . ARG 110 110 6797 1 . ASP 111 111 6797 1 . LYS 112 112 6797 1 . LYS 113 113 6797 1 . LYS 114 114 6797 1 . GLN 115 115 6797 1 . ARG 116 116 6797 1 . GLY 117 117 6797 1 . ARG 118 118 6797 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 6797 _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 $Outer_membrane_lipoprotein . 346 . no . 'Xanthomonas axonopodis pv citri' . . Bacteria . Xanthomonas 'axonopodis pv citri' 306 . . . . . . . . . . . . . . . . . . . . 6797 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 6797 _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 $Outer_membrane_lipoprotein . 'recombinant technology' . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 6797 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.3 mM OmlA, 100 mM NaH2PO4 pH 5.8 , 0.05% nAn3, 5% D2O' _Sample.Aggregate_sample_number . _Sample.Solvent_system . _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 OmlA '[U-15N; U-13C]' . . 1 $Outer_membrane_lipoprotein . . 0.3 . . mM . . . . 6797 1 2 NaH2PO4 . . . . . . . 100 . . mM . . . . 6797 1 3 nAn3 . . . . . . . 0.05 . . % . . . . 6797 1 4 D2O . . . . . . . 5 . . % . . . . 6797 1 5 H2O . . . . . . . 95 . . % . . . . 6797 1 stop_ save_ ####################### # Sample conditions # ####################### save_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode conditions_1 _Sample_condition_list.Entry_ID 6797 _Sample_condition_list.ID 1 _Sample_condition_list.Details '300 mM Omla, 100 mM NaH2PO4 pH 5.8, 0.05% NaN3, 5% D2O, 25?C' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID pH 5.8 0.1 pH 6797 1 temperature 298 . K 6797 1 stop_ save_ ############################ # Computer software used # ############################ save_NMRview _Software.Sf_category software _Software.Sf_framecode NMRview _Software.Entry_ID 6797 _Software.ID 1 _Software.Name NMRView _Software.Version 5.0 _Software.Details 'program for the visualization and analysis of NMR datasets' save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_600MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 600MHz_spectrometer _NMR_spectrometer.Entry_ID 6797 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_500MHz_spectrometer _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 500MHz_spectrometer _NMR_spectrometer.Entry_ID 6797 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Varian _NMR_spectrometer.Model Inova _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ ############################# # NMR applied experiments # ############################# save_NMR_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode NMR_experiment_list _Experiment_list.Entry_ID 6797 _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 1H15N13CA no . . . . . . . . . . 1 $sample_1 . . . 1 $conditions_1 . . . 1 $600MHz_spectrometer . . . . . . . . . . . . . . . . 6797 1 2 HNCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 3 HNCOCA no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 4 HNCACB no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 5 CBCACONH no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 6 HNCO no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 7 TOCSY-NHSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 8 NOESY-NHSQC no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 9 HCCH-TOCSY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 10 HCCH-NOESY no . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . . 6797 1 stop_ save_ save_1H15N13CA _NMR_spec_expt.Sf_category NMR_spectrometer_expt _NMR_spec_expt.Sf_framecode 1H15N13CA _NMR_spec_expt.Entry_ID 6797 _NMR_spec_expt.ID 1 _NMR_spec_expt.Name 1H15N13CA _NMR_spec_expt.Type . _NMR_spec_expt.Sample_volume . _NMR_spec_expt.Sample_volume_units . _NMR_spec_expt.NMR_tube_type . _NMR_spec_expt.Sample_spinning_rate . _NMR_spec_expt.Sample_angle . _NMR_spec_expt.NMR_spectrometer_ID 1 _NMR_spec_expt.NMR_spectrometer_label $600MHz_spectrometer _NMR_spec_expt.NMR_spectrometer_probe_ID . _NMR_spec_expt.NMR_spectrometer_probe_label . _NMR_spec_expt.Carrier_freq_switch_time . _NMR_spec_expt.Software_ID . _NMR_spec_expt.Software_label . _NMR_spec_expt.Method_ID . _NMR_spec_expt.Method_label . _NMR_spec_expt.Pulse_seq_accession_BMRB_code . _NMR_spec_expt.Details . save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_referencing _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_referencing _Chem_shift_reference.Entry_ID 6797 _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 0.0 . indirect 0.251449530 . . . . . . . . . 6797 1 H 1 DSS 'methyl protons' . . . . ppm 0.0 internal direct 1.0 . . . . . . . . . 6797 1 N 15 DSS 'methyl protons' . . . . ppm 0.0 . indirect 0.101329118 . . . . . . . . . 6797 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_chem_shift_list_omla _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode chem_shift_list_omla _Assigned_chem_shift_list.Entry_ID 6797 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_referencing _Assigned_chem_shift_list.Chem_shift_1H_err 0.02 _Assigned_chem_shift_list.Chem_shift_13C_err 0.2 _Assigned_chem_shift_list.Chem_shift_15N_err 0.1 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID . . 1 $sample_1 isotropic 6797 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 4.48 0.02 . 1 . . . . 1 MET HA . 6797 1 2 . 1 1 1 1 MET HB2 H 1 1.974 0.02 . 2 . . . . 1 MET HB1 . 6797 1 3 . 1 1 1 1 MET HB3 H 1 2.058 0.02 . 2 . . . . 1 MET HB2 . 6797 1 4 . 1 1 1 1 MET HG2 H 1 2.562 0.02 . 2 . . . . 1 MET HG1 . 6797 1 5 . 1 1 1 1 MET HG3 H 1 2.514 0.02 . 2 . . . . 1 MET HG2 . 6797 1 6 . 1 1 1 1 MET HE1 H 1 2.101 0.02 . 1 . . . . 1 MET HE1 . 6797 1 7 . 1 1 1 1 MET HE2 H 1 2.101 0.02 . 1 . . . . 1 MET HE1 . 6797 1 8 . 1 1 1 1 MET HE3 H 1 2.101 0.02 . 1 . . . . 1 MET HE1 . 6797 1 9 . 1 1 1 1 MET C C 13 176.079 0.2 . 1 . . . . 1 MET C . 6797 1 10 . 1 1 1 1 MET CA C 13 54.659 0.2 . 1 . . . . 1 MET CA . 6797 1 11 . 1 1 1 1 MET CB C 13 32.331 0.2 . 1 . . . . 1 MET CB . 6797 1 12 . 1 1 1 1 MET CG C 13 31.148 0.2 . 1 . . . . 1 MET CG . 6797 1 13 . 1 1 1 1 MET CE C 13 16.205 0.2 . 1 . . . . 1 MET CE . 6797 1 14 . 1 1 2 2 ALA H H 1 8.479 0.02 . 1 . . . . 2 ALA HN . 6797 1 15 . 1 1 2 2 ALA HA H 1 4.372 0.02 . 1 . . . . 2 ALA HA . 6797 1 16 . 1 1 2 2 ALA HB1 H 1 1.433 0.02 . 1 . . . . 2 ALA HB1 . 6797 1 17 . 1 1 2 2 ALA HB2 H 1 1.433 0.02 . 1 . . . . 2 ALA HB1 . 6797 1 18 . 1 1 2 2 ALA HB3 H 1 1.433 0.02 . 1 . . . . 2 ALA HB1 . 6797 1 19 . 1 1 2 2 ALA C C 13 178.389 0.2 . 1 . . . . 2 ALA C . 6797 1 20 . 1 1 2 2 ALA CA C 13 52.02 0.2 . 1 . . . . 2 ALA CA . 6797 1 21 . 1 1 2 2 ALA CB C 13 18.594 0.2 . 1 . . . . 2 ALA CB . 6797 1 22 . 1 1 2 2 ALA N N 15 127.051 0.1 . 1 . . . . 2 ALA N . 6797 1 23 . 1 1 3 3 GLY H H 1 8.467 0.02 . 1 . . . . 3 GLY HN . 6797 1 24 . 1 1 3 3 GLY HA2 H 1 4.016 0.02 . 1 . . . . 3 GLY HA1 . 6797 1 25 . 1 1 3 3 GLY HA3 H 1 4.016 0.02 . 1 . . . . 3 GLY HA2 . 6797 1 26 . 1 1 3 3 GLY C C 13 174.601 0.2 . 1 . . . . 3 GLY C . 6797 1 27 . 1 1 3 3 GLY CA C 13 44.859 0.2 . 1 . . . . 3 GLY CA . 6797 1 28 . 1 1 3 3 GLY N N 15 109.655 0.1 . 1 . . . . 3 GLY N . 6797 1 29 . 1 1 4 4 SER H H 1 8.292 0.02 . 1 . . . . 4 SER HN . 6797 1 30 . 1 1 4 4 SER HA H 1 4.473 0.02 . 1 . . . . 4 SER HA . 6797 1 31 . 1 1 4 4 SER HB2 H 1 3.834 0.02 . 1 . . . . 4 SER HB1 . 6797 1 32 . 1 1 4 4 SER HB3 H 1 3.834 0.02 . 1 . . . . 4 SER HB2 . 6797 1 33 . 1 1 4 4 SER C C 13 175.401 0.2 . 1 . . . . 4 SER C . 6797 1 34 . 1 1 4 4 SER CA C 13 57.82 0.2 . 1 . . . . 4 SER CA . 6797 1 35 . 1 1 4 4 SER CB C 13 63.348 0.2 . 1 . . . . 4 SER CB . 6797 1 36 . 1 1 4 4 SER N N 15 116.442 0.1 . 1 . . . . 4 SER N . 6797 1 37 . 1 1 5 5 GLY H H 1 8.544 0.02 . 1 . . . . 5 GLY HN . 6797 1 38 . 1 1 5 5 GLY HA2 H 1 3.989 0.02 . 1 . . . . 5 GLY HA1 . 6797 1 39 . 1 1 5 5 GLY HA3 H 1 3.989 0.02 . 1 . . . . 5 GLY HA2 . 6797 1 40 . 1 1 5 5 GLY C C 13 174.155 0.2 . 1 . . . . 5 GLY C . 6797 1 41 . 1 1 5 5 GLY CA C 13 44.83 0.2 . 1 . . . . 5 GLY CA . 6797 1 42 . 1 1 5 5 GLY N N 15 111.759 0.1 . 1 . . . . 5 GLY N . 6797 1 43 . 1 1 6 6 ILE H H 1 7.913 0.02 . 1 . . . . 6 ILE HN . 6797 1 44 . 1 1 6 6 ILE HA H 1 4.122 0.02 . 1 . . . . 6 ILE HA . 6797 1 45 . 1 1 6 6 ILE HB H 1 1.741 0.02 . 1 . . . . 6 ILE HB . 6797 1 46 . 1 1 6 6 ILE HG12 H 1 1.109 0.02 . 1 . . . . 6 ILE HG11 . 6797 1 47 . 1 1 6 6 ILE HG13 H 1 1.4 0.02 . 1 . . . . 6 ILE HG12 . 6797 1 48 . 1 1 6 6 ILE HG21 H 1 0.715 0.02 . 1 . . . . 6 ILE HG21 . 6797 1 49 . 1 1 6 6 ILE HG22 H 1 0.715 0.02 . 1 . . . . 6 ILE HG21 . 6797 1 50 . 1 1 6 6 ILE HG23 H 1 0.715 0.02 . 1 . . . . 6 ILE HG21 . 6797 1 51 . 1 1 6 6 ILE HD11 H 1 0.819 0.02 . 1 . . . . 6 ILE HD11 . 6797 1 52 . 1 1 6 6 ILE HD12 H 1 0.819 0.02 . 1 . . . . 6 ILE HD11 . 6797 1 53 . 1 1 6 6 ILE HD13 H 1 0.819 0.02 . 1 . . . . 6 ILE HD11 . 6797 1 54 . 1 1 6 6 ILE C C 13 176.208 0.2 . 1 . . . . 6 ILE C . 6797 1 55 . 1 1 6 6 ILE CA C 13 60.362 0.2 . 1 . . . . 6 ILE CA . 6797 1 56 . 1 1 6 6 ILE CB C 13 38.091 0.2 . 1 . . . . 6 ILE CB . 6797 1 57 . 1 1 6 6 ILE CG1 C 13 26.719 0.2 . 4 . . . . 6 ILE CG1 . 6797 1 58 . 1 1 6 6 ILE CG2 C 13 16.817 0.2 . 1 . . . . 6 ILE CG2 . 6797 1 59 . 1 1 6 6 ILE CD1 C 13 12.282 0.2 . 1 . . . . 6 ILE CD1 . 6797 1 60 . 1 1 6 6 ILE N N 15 121.383 0.1 . 1 . . . . 6 ILE N . 6797 1 61 . 1 1 7 7 ILE H H 1 8.137 0.02 . 1 . . . . 7 ILE HN . 6797 1 62 . 1 1 7 7 ILE HA H 1 4.138 0.02 . 1 . . . . 7 ILE HA . 6797 1 63 . 1 1 7 7 ILE HB H 1 1.775 0.02 . 1 . . . . 7 ILE HB . 6797 1 64 . 1 1 7 7 ILE HG12 H 1 1.116 0.02 . 1 . . . . 7 ILE HG11 . 6797 1 65 . 1 1 7 7 ILE HG13 H 1 1.422 0.02 . 1 . . . . 7 ILE HG12 . 6797 1 66 . 1 1 7 7 ILE HG21 H 1 0.796 0.02 . 1 . . . . 7 ILE HG21 . 6797 1 67 . 1 1 7 7 ILE HG22 H 1 0.796 0.02 . 1 . . . . 7 ILE HG21 . 6797 1 68 . 1 1 7 7 ILE HG23 H 1 0.796 0.02 . 1 . . . . 7 ILE HG21 . 6797 1 69 . 1 1 7 7 ILE HD11 H 1 0.813 0.02 . 1 . . . . 7 ILE HD11 . 6797 1 70 . 1 1 7 7 ILE HD12 H 1 0.813 0.02 . 1 . . . . 7 ILE HD11 . 6797 1 71 . 1 1 7 7 ILE HD13 H 1 0.813 0.02 . 1 . . . . 7 ILE HD11 . 6797 1 72 . 1 1 7 7 ILE C C 13 175.951 0.2 . 1 . . . . 7 ILE C . 6797 1 73 . 1 1 7 7 ILE CA C 13 60.107 0.2 . 1 . . . . 7 ILE CA . 6797 1 74 . 1 1 7 7 ILE CB C 13 37.88 0.2 . 1 . . . . 7 ILE CB . 6797 1 75 . 1 1 7 7 ILE CG1 C 13 26.582 0.2 . 4 . . . . 7 ILE CG1 . 6797 1 76 . 1 1 7 7 ILE CG2 C 13 16.679 0.2 . 1 . . . . 7 ILE CG2 . 6797 1 77 . 1 1 7 7 ILE CD1 C 13 12.129 0.2 . 1 . . . . 7 ILE CD1 . 6797 1 78 . 1 1 7 7 ILE N N 15 126.232 0.1 . 1 . . . . 7 ILE N . 6797 1 79 . 1 1 8 8 TYR H H 1 8.312 0.02 . 1 . . . . 8 TYR HN . 6797 1 80 . 1 1 8 8 TYR HA H 1 4.566 0.02 . 1 . . . . 8 TYR HA . 6797 1 81 . 1 1 8 8 TYR HB2 H 1 2.883 0.02 . 2 . . . . 8 TYR HB1 . 6797 1 82 . 1 1 8 8 TYR HB3 H 1 3.011 0.02 . 2 . . . . 8 TYR HB2 . 6797 1 83 . 1 1 8 8 TYR HD1 H 1 7.188 0.02 . 1 . . . . 8 TYR HD1 . 6797 1 84 . 1 1 8 8 TYR HD2 H 1 7.188 0.02 . 1 . . . . 8 TYR HD2 . 6797 1 85 . 1 1 8 8 TYR HE1 H 1 6.436 0.02 . 1 . . . . 8 TYR HE1 . 6797 1 86 . 1 1 8 8 TYR HE2 H 1 6.436 0.02 . 1 . . . . 8 TYR HE2 . 6797 1 87 . 1 1 8 8 TYR C C 13 175.566 0.2 . 1 . . . . 8 TYR C . 6797 1 88 . 1 1 8 8 TYR CA C 13 57.183 0.2 . 1 . . . . 8 TYR CA . 6797 1 89 . 1 1 8 8 TYR CB C 13 38.053 0.2 . 1 . . . . 8 TYR CB . 6797 1 90 . 1 1 8 8 TYR CD1 C 13 132.604 0.2 . 1 . . . . 8 TYR CD1 . 6797 1 91 . 1 1 8 8 TYR CD2 C 13 132.604 0.2 . 1 . . . . 8 TYR CD2 . 6797 1 92 . 1 1 8 8 TYR CE1 C 13 115.612 0.2 . 1 . . . . 8 TYR CE1 . 6797 1 93 . 1 1 8 8 TYR CE2 C 13 115.612 0.2 . 1 . . . . 8 TYR CE2 . 6797 1 94 . 1 1 8 8 TYR N N 15 126.549 0.1 . 1 . . . . 8 TYR N . 6797 1 95 . 1 1 9 9 LYS H H 1 8.195 0.02 . 1 . . . . 9 LYS HN . 6797 1 96 . 1 1 9 9 LYS HA H 1 4.31 0.02 . 1 . . . . 9 LYS HA . 6797 1 97 . 1 1 9 9 LYS HB2 H 1 1.746 0.02 . 1 . . . . 9 LYS HB1 . 6797 1 98 . 1 1 9 9 LYS HB3 H 1 1.746 0.02 . 1 . . . . 9 LYS HB2 . 6797 1 99 . 1 1 9 9 LYS HG2 H 1 1.392 0.02 . 1 . . . . 9 LYS HG1 . 6797 1 100 . 1 1 9 9 LYS HG3 H 1 1.392 0.02 . 1 . . . . 9 LYS HG2 . 6797 1 101 . 1 1 9 9 LYS HD2 H 1 1.702 0.02 . 1 . . . . 9 LYS HD1 . 6797 1 102 . 1 1 9 9 LYS HD3 H 1 1.702 0.02 . 1 . . . . 9 LYS HD2 . 6797 1 103 . 1 1 9 9 LYS HE2 H 1 3.018 0.02 . 1 . . . . 9 LYS HE1 . 6797 1 104 . 1 1 9 9 LYS HE3 H 1 3.018 0.02 . 1 . . . . 9 LYS HE2 . 6797 1 105 . 1 1 9 9 LYS C C 13 177.048 0.2 . 1 . . . . 9 LYS C . 6797 1 106 . 1 1 9 9 LYS CA C 13 55.061 0.2 . 1 . . . . 9 LYS CA . 6797 1 107 . 1 1 9 9 LYS CB C 13 32.774 0.2 . 1 . . . . 9 LYS CB . 6797 1 108 . 1 1 9 9 LYS CG C 13 24.17 0.2 . 1 . . . . 9 LYS CG . 6797 1 109 . 1 1 9 9 LYS CD C 13 28.33 0.2 . 1 . . . . 9 LYS CD . 6797 1 110 . 1 1 9 9 LYS CE C 13 41.282 0.2 . 1 . . . . 9 LYS CE . 6797 1 111 . 1 1 9 9 LYS N N 15 125.092 0.1 . 1 . . . . 9 LYS N . 6797 1 112 . 1 1 10 10 GLN H H 1 8.736 0.02 . 1 . . . . 10 GLN HN . 6797 1 113 . 1 1 10 10 GLN HA H 1 3.956 0.02 . 1 . . . . 10 GLN HA . 6797 1 114 . 1 1 10 10 GLN HB2 H 1 2.098 0.02 . 2 . . . . 10 GLN HB1 . 6797 1 115 . 1 1 10 10 GLN HB3 H 1 1.994 0.02 . 2 . . . . 10 GLN HB2 . 6797 1 116 . 1 1 10 10 GLN HG2 H 1 2.345 0.02 . 1 . . . . 10 GLN HG1 . 6797 1 117 . 1 1 10 10 GLN HG3 H 1 2.345 0.02 . 1 . . . . 10 GLN HG2 . 6797 1 118 . 1 1 10 10 GLN HE21 H 1 6.38 0.02 . 2 . . . . 10 GLN HE21 . 6797 1 119 . 1 1 10 10 GLN HE22 H 1 7.055 0.02 . 2 . . . . 10 GLN HE22 . 6797 1 120 . 1 1 10 10 GLN CA C 13 57.272 0.2 . 1 . . . . 10 GLN CA . 6797 1 121 . 1 1 10 10 GLN CB C 13 32.886 0.2 . 1 . . . . 10 GLN CB . 6797 1 122 . 1 1 10 10 GLN CG C 13 32.886 0.2 . 1 . . . . 10 GLN CG . 6797 1 123 . 1 1 10 10 GLN N N 15 124.325 0.1 . 1 . . . . 10 GLN N . 6797 1 124 . 1 1 10 10 GLN NE2 N 15 107.182 0.1 . 1 . . . . 10 GLN NE2 . 6797 1 125 . 1 1 11 11 PRO HA H 1 4.33 0.02 . 1 . . . . 11 PRO HA . 6797 1 126 . 1 1 11 11 PRO HB2 H 1 2.312 0.02 . 2 . . . . 11 PRO HB1 . 6797 1 127 . 1 1 11 11 PRO HB3 H 1 1.902 0.02 . 2 . . . . 11 PRO HB2 . 6797 1 128 . 1 1 11 11 PRO C C 13 176.593 0.2 . 1 . . . . 11 PRO C . 6797 1 129 . 1 1 11 11 PRO CA C 13 62.747 0.2 . 1 . . . . 11 PRO CA . 6797 1 130 . 1 1 11 11 PRO CB C 13 31.836 0.2 . 1 . . . . 11 PRO CB . 6797 1 131 . 1 1 12 12 ILE H H 1 8.127 0.02 . 1 . . . . 12 ILE HN . 6797 1 132 . 1 1 12 12 ILE HA H 1 4.122 0.02 . 1 . . . . 12 ILE HA . 6797 1 133 . 1 1 12 12 ILE HB H 1 1.766 0.02 . 1 . . . . 12 ILE HB . 6797 1 134 . 1 1 12 12 ILE HG12 H 1 1.111 0.02 . 1 . . . . 12 ILE HG11 . 6797 1 135 . 1 1 12 12 ILE HG13 H 1 1.397 0.02 . 1 . . . . 12 ILE HG12 . 6797 1 136 . 1 1 12 12 ILE HG21 H 1 0.798 0.02 . 1 . . . . 12 ILE HG21 . 6797 1 137 . 1 1 12 12 ILE HG22 H 1 0.798 0.02 . 1 . . . . 12 ILE HG21 . 6797 1 138 . 1 1 12 12 ILE HG23 H 1 0.798 0.02 . 1 . . . . 12 ILE HG21 . 6797 1 139 . 1 1 12 12 ILE HD11 H 1 0.819 0.02 . 1 . . . . 12 ILE HD11 . 6797 1 140 . 1 1 12 12 ILE HD12 H 1 0.819 0.02 . 1 . . . . 12 ILE HD11 . 6797 1 141 . 1 1 12 12 ILE HD13 H 1 0.819 0.02 . 1 . . . . 12 ILE HD11 . 6797 1 142 . 1 1 12 12 ILE C C 13 176.885 0.2 . 1 . . . . 12 ILE C . 6797 1 143 . 1 1 12 12 ILE CA C 13 60.367 0.2 . 1 . . . . 12 ILE CA . 6797 1 144 . 1 1 12 12 ILE CB C 13 38.19 0.2 . 1 . . . . 12 ILE CB . 6797 1 145 . 1 1 12 12 ILE CG1 C 13 26.584 0.2 . 4 . . . . 12 ILE CG1 . 6797 1 146 . 1 1 12 12 ILE CG2 C 13 16.997 0.2 . 1 . . . . 12 ILE CG2 . 6797 1 147 . 1 1 12 12 ILE CD1 C 13 12.243 0.2 . 1 . . . . 12 ILE CD1 . 6797 1 148 . 1 1 12 12 ILE N N 15 121.295 0.1 . 1 . . . . 12 ILE N . 6797 1 149 . 1 1 13 13 TYR H H 1 8.341 0.02 . 1 . . . . 13 TYR HN . 6797 1 150 . 1 1 13 13 TYR HA H 1 4.75 0.02 . 1 . . . . 13 TYR HA . 6797 1 151 . 1 1 13 13 TYR HB2 H 1 2.951 0.02 . 1 . . . . 13 TYR HB1 . 6797 1 152 . 1 1 13 13 TYR HB3 H 1 2.951 0.02 . 1 . . . . 13 TYR HB2 . 6797 1 153 . 1 1 13 13 TYR HD1 H 1 7.088 0.02 . 1 . . . . 13 TYR HD1 . 6797 1 154 . 1 1 13 13 TYR HD2 H 1 7.088 0.02 . 1 . . . . 13 TYR HD2 . 6797 1 155 . 1 1 13 13 TYR HE1 H 1 6.778 0.02 . 1 . . . . 13 TYR HE1 . 6797 1 156 . 1 1 13 13 TYR HE2 H 1 6.778 0.02 . 1 . . . . 13 TYR HE2 . 6797 1 157 . 1 1 13 13 TYR C C 13 175.951 0.2 . 1 . . . . 13 TYR C . 6797 1 158 . 1 1 13 13 TYR CA C 13 56.891 0.2 . 1 . . . . 13 TYR CA . 6797 1 159 . 1 1 13 13 TYR CB C 13 38.629 0.2 . 1 . . . . 13 TYR CB . 6797 1 160 . 1 1 13 13 TYR CD1 C 13 132.009 0.2 . 1 . . . . 13 TYR CD1 . 6797 1 161 . 1 1 13 13 TYR CD2 C 13 132.009 0.2 . 1 . . . . 13 TYR CD2 . 6797 1 162 . 1 1 13 13 TYR CE1 C 13 116.775 0.2 . 1 . . . . 13 TYR CE1 . 6797 1 163 . 1 1 13 13 TYR CE2 C 13 116.775 0.2 . 1 . . . . 13 TYR CE2 . 6797 1 164 . 1 1 13 13 TYR N N 15 125.673 0.1 . 1 . . . . 13 TYR N . 6797 1 165 . 1 1 14 14 GLN H H 1 8.405 0.02 . 1 . . . . 14 GLN HN . 6797 1 166 . 1 1 14 14 GLN HA H 1 4.4 0.02 . 1 . . . . 14 GLN HA . 6797 1 167 . 1 1 14 14 GLN HB2 H 1 1.937 0.02 . 2 . . . . 14 GLN HB1 . 6797 1 168 . 1 1 14 14 GLN HB3 H 1 2.129 0.02 . 2 . . . . 14 GLN HB2 . 6797 1 169 . 1 1 14 14 GLN HG2 H 1 2.29 0.02 . 1 . . . . 14 GLN HG1 . 6797 1 170 . 1 1 14 14 GLN HG3 H 1 2.29 0.02 . 1 . . . . 14 GLN HG2 . 6797 1 171 . 1 1 14 14 GLN HE21 H 1 6.856 0.02 . 2 . . . . 14 GLN HE21 . 6797 1 172 . 1 1 14 14 GLN HE22 H 1 7.512 0.02 . 2 . . . . 14 GLN HE22 . 6797 1 173 . 1 1 14 14 GLN C C 13 175.951 0.2 . 1 . . . . 14 GLN C . 6797 1 174 . 1 1 14 14 GLN CA C 13 54.817 0.2 . 1 . . . . 14 GLN CA . 6797 1 175 . 1 1 14 14 GLN CB C 13 29.71 0.2 . 1 . . . . 14 GLN CB . 6797 1 176 . 1 1 14 14 GLN CG C 13 33.733 0.2 . 1 . . . . 14 GLN CG . 6797 1 177 . 1 1 14 14 GLN CD C 13 180.789 0.2 . 1 . . . . 14 GLN CD . 6797 1 178 . 1 1 14 14 GLN N N 15 123.929 0.1 . 1 . . . . 14 GLN N . 6797 1 179 . 1 1 14 14 GLN NE2 N 15 111.254 0.1 . 1 . . . . 14 GLN NE2 . 6797 1 180 . 1 1 15 15 GLY H H 1 7.855 0.02 . 1 . . . . 15 GLY HN . 6797 1 181 . 1 1 15 15 GLY HA2 H 1 3.997 0.02 . 1 . . . . 15 GLY HA1 . 6797 1 182 . 1 1 15 15 GLY HA3 H 1 3.997 0.02 . 1 . . . . 15 GLY HA2 . 6797 1 183 . 1 1 15 15 GLY C C 13 173.899 0.2 . 1 . . . . 15 GLY C . 6797 1 184 . 1 1 15 15 GLY CA C 13 44.878 0.2 . 1 . . . . 15 GLY CA . 6797 1 185 . 1 1 15 15 GLY N N 15 109.805 0.1 . 1 . . . . 15 GLY N . 6797 1 186 . 1 1 16 16 ASN H H 1 8.411 0.02 . 1 . . . . 16 ASN HN . 6797 1 187 . 1 1 16 16 ASN HA H 1 4.801 0.02 . 1 . . . . 16 ASN HA . 6797 1 188 . 1 1 16 16 ASN HB2 H 1 2.803 0.02 . 2 . . . . 16 ASN HB1 . 6797 1 189 . 1 1 16 16 ASN HB3 H 1 2.916 0.02 . 2 . . . . 16 ASN HB2 . 6797 1 190 . 1 1 16 16 ASN HD21 H 1 6.864 0.02 . 2 . . . . 16 ASN HD21 . 6797 1 191 . 1 1 16 16 ASN HD22 H 1 7.641 0.02 . 2 . . . . 16 ASN HD22 . 6797 1 192 . 1 1 16 16 ASN C C 13 174.925 0.2 . 1 . . . . 16 ASN C . 6797 1 193 . 1 1 16 16 ASN CA C 13 52.671 0.2 . 1 . . . . 16 ASN CA . 6797 1 194 . 1 1 16 16 ASN CB C 13 38.489 0.2 . 1 . . . . 16 ASN CB . 6797 1 195 . 1 1 16 16 ASN CG C 13 176.94 0.2 . 1 . . . . 16 ASN CG . 6797 1 196 . 1 1 16 16 ASN N N 15 119.646 0.1 . 1 . . . . 16 ASN N . 6797 1 197 . 1 1 16 16 ASN ND2 N 15 112.644 0.1 . 1 . . . . 16 ASN ND2 . 6797 1 198 . 1 1 17 17 LEU H H 1 8.195 0.02 . 1 . . . . 17 LEU HN . 6797 1 199 . 1 1 17 17 LEU HA H 1 4.373 0.02 . 1 . . . . 17 LEU HA . 6797 1 200 . 1 1 17 17 LEU HB2 H 1 1.657 0.02 . 2 . . . . 17 LEU HB1 . 6797 1 201 . 1 1 17 17 LEU HB3 H 1 1.522 0.02 . 2 . . . . 17 LEU HB2 . 6797 1 202 . 1 1 17 17 LEU HG H 1 1.578 0.02 . 1 . . . . 17 LEU HG . 6797 1 203 . 1 1 17 17 LEU HD11 H 1 0.862 0.02 . 2 . . . . 17 LEU HD11 . 6797 1 204 . 1 1 17 17 LEU HD12 H 1 0.862 0.02 . 2 . . . . 17 LEU HD11 . 6797 1 205 . 1 1 17 17 LEU HD13 H 1 0.862 0.02 . 2 . . . . 17 LEU HD11 . 6797 1 206 . 1 1 17 17 LEU HD21 H 1 0.862 0.02 . 2 . . . . 17 LEU HD21 . 6797 1 207 . 1 1 17 17 LEU HD22 H 1 0.862 0.02 . 2 . . . . 17 LEU HD21 . 6797 1 208 . 1 1 17 17 LEU HD23 H 1 0.862 0.02 . 2 . . . . 17 LEU HD21 . 6797 1 209 . 1 1 17 17 LEU C C 13 177.234 0.2 . 1 . . . . 17 LEU C . 6797 1 210 . 1 1 17 17 LEU CA C 13 54.624 0.2 . 1 . . . . 17 LEU CA . 6797 1 211 . 1 1 17 17 LEU CB C 13 41.636 0.2 . 1 . . . . 17 LEU CB . 6797 1 212 . 1 1 17 17 LEU CG C 13 26.16 0.2 . 1 . . . . 17 LEU CG . 6797 1 213 . 1 1 17 17 LEU CD1 C 13 22.183 0.2 . 1 . . . . 17 LEU CD1 . 6797 1 214 . 1 1 17 17 LEU CD2 C 13 22.183 0.2 . 1 . . . . 17 LEU CD2 . 6797 1 215 . 1 1 17 17 LEU N N 15 123.55 0.1 . 1 . . . . 17 LEU N . 6797 1 216 . 1 1 18 18 ILE H H 1 8.119 0.02 . 1 . . . . 18 ILE HN . 6797 1 217 . 1 1 18 18 ILE HA H 1 4.037 0.02 . 1 . . . . 18 ILE HA . 6797 1 218 . 1 1 18 18 ILE HB H 1 1.592 0.02 . 1 . . . . 18 ILE HB . 6797 1 219 . 1 1 18 18 ILE HG12 H 1 1.042 0.02 . 1 . . . . 18 ILE HG11 . 6797 1 220 . 1 1 18 18 ILE HG13 H 1 1.253 0.02 . 1 . . . . 18 ILE HG12 . 6797 1 221 . 1 1 18 18 ILE HG21 H 1 0.415 0.02 . 1 . . . . 18 ILE HG21 . 6797 1 222 . 1 1 18 18 ILE HG22 H 1 0.415 0.02 . 1 . . . . 18 ILE HG21 . 6797 1 223 . 1 1 18 18 ILE HG23 H 1 0.415 0.02 . 1 . . . . 18 ILE HG21 . 6797 1 224 . 1 1 18 18 ILE HD11 H 1 0.441 0.02 . 1 . . . . 18 ILE HD11 . 6797 1 225 . 1 1 18 18 ILE HD12 H 1 0.441 0.02 . 1 . . . . 18 ILE HD11 . 6797 1 226 . 1 1 18 18 ILE HD13 H 1 0.441 0.02 . 1 . . . . 18 ILE HD11 . 6797 1 227 . 1 1 18 18 ILE C C 13 175.868 0.2 . 1 . . . . 18 ILE C . 6797 1 228 . 1 1 18 18 ILE CA C 13 59.96 0.2 . 1 . . . . 18 ILE CA . 6797 1 229 . 1 1 18 18 ILE CB C 13 37.639 0.2 . 1 . . . . 18 ILE CB . 6797 1 230 . 1 1 18 18 ILE CG1 C 13 26.582 0.2 . 4 . . . . 18 ILE CG1 . 6797 1 231 . 1 1 18 18 ILE CG2 C 13 16.967 0.2 . 1 . . . . 18 ILE CG2 . 6797 1 232 . 1 1 18 18 ILE CD1 C 13 11.732 0.2 . 1 . . . . 18 ILE CD1 . 6797 1 233 . 1 1 18 18 ILE N N 15 123.494 0.1 . 1 . . . . 18 ILE N . 6797 1 234 . 1 1 19 19 LYS H H 1 8.193 0.02 . 1 . . . . 19 LYS HN . 6797 1 235 . 1 1 19 19 LYS HA H 1 4.435 0.02 . 1 . . . . 19 LYS HA . 6797 1 236 . 1 1 19 19 LYS HB2 H 1 1.718 0.02 . 1 . . . . 19 LYS HB1 . 6797 1 237 . 1 1 19 19 LYS HB3 H 1 1.718 0.02 . 1 . . . . 19 LYS HB2 . 6797 1 238 . 1 1 19 19 LYS HG2 H 1 1.401 0.02 . 1 . . . . 19 LYS HG1 . 6797 1 239 . 1 1 19 19 LYS HG3 H 1 1.401 0.02 . 1 . . . . 19 LYS HG2 . 6797 1 240 . 1 1 19 19 LYS HD2 H 1 1.7 0.02 . 1 . . . . 19 LYS HD1 . 6797 1 241 . 1 1 19 19 LYS HD3 H 1 1.7 0.02 . 1 . . . . 19 LYS HD2 . 6797 1 242 . 1 1 19 19 LYS C C 13 177.106 0.2 . 1 . . . . 19 LYS C . 6797 1 243 . 1 1 19 19 LYS CA C 13 55.016 0.2 . 1 . . . . 19 LYS CA . 6797 1 244 . 1 1 19 19 LYS CB C 13 32.774 0.2 . 1 . . . . 19 LYS CB . 6797 1 245 . 1 1 19 19 LYS CG C 13 24.1 0.2 . 1 . . . . 19 LYS CG . 6797 1 246 . 1 1 19 19 LYS CD C 13 28.33 0.2 . 1 . . . . 19 LYS CD . 6797 1 247 . 1 1 19 19 LYS N N 15 126.311 0.1 . 1 . . . . 19 LYS N . 6797 1 248 . 1 1 20 20 GLN H H 1 8.305 0.02 . 1 . . . . 20 GLN HN . 6797 1 249 . 1 1 20 20 GLN HA H 1 4.56 0.02 . 1 . . . . 20 GLN HA . 6797 1 250 . 1 1 20 20 GLN HB2 H 1 1.952 0.02 . 2 . . . . 20 GLN HB1 . 6797 1 251 . 1 1 20 20 GLN HB3 H 1 2.103 0.02 . 2 . . . . 20 GLN HB2 . 6797 1 252 . 1 1 20 20 GLN HG2 H 1 2.422 0.02 . 1 . . . . 20 GLN HG1 . 6797 1 253 . 1 1 20 20 GLN HG3 H 1 2.422 0.02 . 1 . . . . 20 GLN HG2 . 6797 1 254 . 1 1 20 20 GLN HE21 H 1 7.01 0.02 . 2 . . . . 20 GLN HE21 . 6797 1 255 . 1 1 20 20 GLN HE22 H 1 7.603 0.02 . 2 . . . . 20 GLN HE22 . 6797 1 256 . 1 1 20 20 GLN C C 13 176.412 0.2 . 1 . . . . 20 GLN C . 6797 1 257 . 1 1 20 20 GLN CA C 13 54.959 0.2 . 1 . . . . 20 GLN CA . 6797 1 258 . 1 1 20 20 GLN CB C 13 28.343 0.2 . 1 . . . . 20 GLN CB . 6797 1 259 . 1 1 20 20 GLN CG C 13 32.77 0.2 . 1 . . . . 20 GLN CG . 6797 1 260 . 1 1 20 20 GLN CD C 13 180.276 0.2 . 1 . . . . 20 GLN CD . 6797 1 261 . 1 1 20 20 GLN N N 15 123.767 0.1 . 1 . . . . 20 GLN N . 6797 1 262 . 1 1 20 20 GLN NE2 N 15 112.644 0.1 . 1 . . . . 20 GLN NE2 . 6797 1 263 . 1 1 21 21 ASN H H 1 8.482 0.02 . 1 . . . . 21 ASN HN . 6797 1 264 . 1 1 21 21 ASN HA H 1 4.498 0.02 . 1 . . . . 21 ASN HA . 6797 1 265 . 1 1 21 21 ASN HB2 H 1 2.744 0.02 . 1 . . . . 21 ASN HB1 . 6797 1 266 . 1 1 21 21 ASN HB3 H 1 2.744 0.02 . 1 . . . . 21 ASN HB2 . 6797 1 267 . 1 1 21 21 ASN HD21 H 1 6.929 0.02 . 2 . . . . 21 ASN HD21 . 6797 1 268 . 1 1 21 21 ASN HD22 H 1 7.673 0.02 . 2 . . . . 21 ASN HD22 . 6797 1 269 . 1 1 21 21 ASN C C 13 175.247 0.2 . 1 . . . . 21 ASN C . 6797 1 270 . 1 1 21 21 ASN CA C 13 54.98 0.2 . 1 . . . . 21 ASN CA . 6797 1 271 . 1 1 21 21 ASN CB C 13 37.319 0.2 . 1 . . . . 21 ASN CB . 6797 1 272 . 1 1 21 21 ASN CG C 13 177.4 0.2 . 1 . . . . 21 ASN CG . 6797 1 273 . 1 1 21 21 ASN N N 15 123.175 0.1 . 1 . . . . 21 ASN N . 6797 1 274 . 1 1 21 21 ASN ND2 N 15 113.24 0.1 . 1 . . . . 21 ASN ND2 . 6797 1 275 . 1 1 22 22 ALA H H 1 8.471 0.02 . 1 . . . . 22 ALA HN . 6797 1 276 . 1 1 22 22 ALA HA H 1 4.577 0.02 . 1 . . . . 22 ALA HA . 6797 1 277 . 1 1 22 22 ALA HB1 H 1 1.385 0.02 . 1 . . . . 22 ALA HB1 . 6797 1 278 . 1 1 22 22 ALA HB2 H 1 1.385 0.02 . 1 . . . . 22 ALA HB1 . 6797 1 279 . 1 1 22 22 ALA HB3 H 1 1.385 0.02 . 1 . . . . 22 ALA HB1 . 6797 1 280 . 1 1 22 22 ALA C C 13 178.912 0.2 . 1 . . . . 22 ALA C . 6797 1 281 . 1 1 22 22 ALA CA C 13 53.685 0.2 . 1 . . . . 22 ALA CA . 6797 1 282 . 1 1 22 22 ALA CB C 13 19.123 0.2 . 1 . . . . 22 ALA CB . 6797 1 283 . 1 1 22 22 ALA N N 15 124.76 0.1 . 1 . . . . 22 ALA N . 6797 1 284 . 1 1 23 23 VAL H H 1 7.427 0.02 . 1 . . . . 23 VAL HN . 6797 1 285 . 1 1 23 23 VAL HA H 1 3.182 0.02 . 1 . . . . 23 VAL HA . 6797 1 286 . 1 1 23 23 VAL HB H 1 1.695 0.02 . 1 . . . . 23 VAL HB . 6797 1 287 . 1 1 23 23 VAL HG11 H 1 0.229 0.02 . 2 . . . . 23 VAL HG11 . 6797 1 288 . 1 1 23 23 VAL HG12 H 1 0.229 0.02 . 2 . . . . 23 VAL HG11 . 6797 1 289 . 1 1 23 23 VAL HG13 H 1 0.229 0.02 . 2 . . . . 23 VAL HG11 . 6797 1 290 . 1 1 23 23 VAL HG21 H 1 0.603 0.02 . 2 . . . . 23 VAL HG21 . 6797 1 291 . 1 1 23 23 VAL HG22 H 1 0.603 0.02 . 2 . . . . 23 VAL HG21 . 6797 1 292 . 1 1 23 23 VAL HG23 H 1 0.603 0.02 . 2 . . . . 23 VAL HG21 . 6797 1 293 . 1 1 23 23 VAL C C 13 178.371 0.2 . 1 . . . . 23 VAL C . 6797 1 294 . 1 1 23 23 VAL CA C 13 64.387 0.2 . 1 . . . . 23 VAL CA . 6797 1 295 . 1 1 23 23 VAL CB C 13 31.009 0.2 . 1 . . . . 23 VAL CB . 6797 1 296 . 1 1 23 23 VAL CG1 C 13 21.631 0.2 . 1 . . . . 23 VAL CG1 . 6797 1 297 . 1 1 23 23 VAL CG2 C 13 20.539 0.2 . 1 . . . . 23 VAL CG2 . 6797 1 298 . 1 1 23 23 VAL N N 15 117.014 0.1 . 1 . . . . 23 VAL N . 6797 1 299 . 1 1 24 24 GLU H H 1 7.793 0.02 . 1 . . . . 24 GLU HN . 6797 1 300 . 1 1 24 24 GLU HA H 1 4.116 0.02 . 1 . . . . 24 GLU HA . 6797 1 301 . 1 1 24 24 GLU HB2 H 1 1.94 0.02 . 2 . . . . 24 GLU HB1 . 6797 1 302 . 1 1 24 24 GLU HB3 H 1 2.102 0.02 . 2 . . . . 24 GLU HB2 . 6797 1 303 . 1 1 24 24 GLU HG2 H 1 2.388 0.02 . 1 . . . . 24 GLU HG1 . 6797 1 304 . 1 1 24 24 GLU HG3 H 1 2.388 0.02 . 1 . . . . 24 GLU HG2 . 6797 1 305 . 1 1 24 24 GLU C C 13 177.004 0.2 . 1 . . . . 24 GLU C . 6797 1 306 . 1 1 24 24 GLU CA C 13 56.971 0.2 . 1 . . . . 24 GLU CA . 6797 1 307 . 1 1 24 24 GLU CB C 13 28.815 0.2 . 1 . . . . 24 GLU CB . 6797 1 308 . 1 1 24 24 GLU CG C 13 34.861 0.2 . 1 . . . . 24 GLU CG . 6797 1 309 . 1 1 24 24 GLU N N 15 118.801 0.1 . 1 . . . . 24 GLU N . 6797 1 310 . 1 1 25 25 GLN H H 1 7.511 0.02 . 1 . . . . 25 GLN HN . 6797 1 311 . 1 1 25 25 GLN HA H 1 4.247 0.02 . 1 . . . . 25 GLN HA . 6797 1 312 . 1 1 25 25 GLN HB2 H 1 2.06 0.02 . 1 . . . . 25 GLN HB1 . 6797 1 313 . 1 1 25 25 GLN HB3 H 1 2.06 0.02 . 1 . . . . 25 GLN HB2 . 6797 1 314 . 1 1 25 25 GLN HG2 H 1 2.264 0.02 . 1 . . . . 25 GLN HG1 . 6797 1 315 . 1 1 25 25 GLN HG3 H 1 2.264 0.02 . 1 . . . . 25 GLN HG2 . 6797 1 316 . 1 1 25 25 GLN HE21 H 1 6.852 0.02 . 2 . . . . 25 GLN HE21 . 6797 1 317 . 1 1 25 25 GLN HE22 H 1 7.49 0.02 . 2 . . . . 25 GLN HE22 . 6797 1 318 . 1 1 25 25 GLN C C 13 176.208 0.2 . 1 . . . . 25 GLN C . 6797 1 319 . 1 1 25 25 GLN CA C 13 54.637 0.2 . 1 . . . . 25 GLN CA . 6797 1 320 . 1 1 25 25 GLN CB C 13 29.726 0.2 . 1 . . . . 25 GLN CB . 6797 1 321 . 1 1 25 25 GLN CG C 13 33.776 0.2 . 1 . . . . 25 GLN CG . 6797 1 322 . 1 1 25 25 GLN CD C 13 180.651 0.2 . 1 . . . . 25 GLN CD . 6797 1 323 . 1 1 25 25 GLN N N 15 117.067 0.1 . 1 . . . . 25 GLN N . 6797 1 324 . 1 1 25 25 GLN NE2 N 15 112.843 0.1 . 1 . . . . 25 GLN NE2 . 6797 1 325 . 1 1 26 26 LEU H H 1 7.043 0.02 . 1 . . . . 26 LEU HN . 6797 1 326 . 1 1 26 26 LEU HA H 1 4.347 0.02 . 1 . . . . 26 LEU HA . 6797 1 327 . 1 1 26 26 LEU HB2 H 1 0.039 0.02 . 2 . . . . 26 LEU HB1 . 6797 1 328 . 1 1 26 26 LEU HB3 H 1 0.599 0.02 . 2 . . . . 26 LEU HB2 . 6797 1 329 . 1 1 26 26 LEU HG H 1 1.044 0.02 . 1 . . . . 26 LEU HG . 6797 1 330 . 1 1 26 26 LEU HD11 H 1 0.49 0.02 . 2 . . . . 26 LEU HD11 . 6797 1 331 . 1 1 26 26 LEU HD12 H 1 0.49 0.02 . 2 . . . . 26 LEU HD11 . 6797 1 332 . 1 1 26 26 LEU HD13 H 1 0.49 0.02 . 2 . . . . 26 LEU HD11 . 6797 1 333 . 1 1 26 26 LEU HD21 H 1 0.39 0.02 . 2 . . . . 26 LEU HD21 . 6797 1 334 . 1 1 26 26 LEU HD22 H 1 0.39 0.02 . 2 . . . . 26 LEU HD21 . 6797 1 335 . 1 1 26 26 LEU HD23 H 1 0.39 0.02 . 2 . . . . 26 LEU HD21 . 6797 1 336 . 1 1 26 26 LEU C C 13 176.325 0.2 . 1 . . . . 26 LEU C . 6797 1 337 . 1 1 26 26 LEU CA C 13 54.354 0.2 . 1 . . . . 26 LEU CA . 6797 1 338 . 1 1 26 26 LEU CB C 13 41.091 0.2 . 1 . . . . 26 LEU CB . 6797 1 339 . 1 1 26 26 LEU CG C 13 26.033 0.2 . 1 . . . . 26 LEU CG . 6797 1 340 . 1 1 26 26 LEU CD1 C 13 23.831 0.2 . 1 . . . . 26 LEU CD1 . 6797 1 341 . 1 1 26 26 LEU CD2 C 13 25.068 0.2 . 1 . . . . 26 LEU CD2 . 6797 1 342 . 1 1 26 26 LEU N N 15 123.589 0.1 . 1 . . . . 26 LEU N . 6797 1 343 . 1 1 27 27 GLN H H 1 7.456 0.02 . 1 . . . . 27 GLN HN . 6797 1 344 . 1 1 27 27 GLN HA H 1 4.741 0.02 . 1 . . . . 27 GLN HA . 6797 1 345 . 1 1 27 27 GLN HB2 H 1 1.659 0.02 . 2 . . . . 27 GLN HB1 . 6797 1 346 . 1 1 27 27 GLN HB3 H 1 2.043 0.02 . 2 . . . . 27 GLN HB2 . 6797 1 347 . 1 1 27 27 GLN HG2 H 1 2.332 0.02 . 1 . . . . 27 GLN HG1 . 6797 1 348 . 1 1 27 27 GLN HG3 H 1 2.332 0.02 . 1 . . . . 27 GLN HG2 . 6797 1 349 . 1 1 27 27 GLN HE21 H 1 6.75 0.02 . 2 . . . . 27 GLN HE21 . 6797 1 350 . 1 1 27 27 GLN HE22 H 1 7.258 0.02 . 2 . . . . 27 GLN HE22 . 6797 1 351 . 1 1 27 27 GLN C C 13 175.438 0.2 . 1 . . . . 27 GLN C . 6797 1 352 . 1 1 27 27 GLN CA C 13 53.413 0.2 . 1 . . . . 27 GLN CA . 6797 1 353 . 1 1 27 27 GLN CB C 13 32.647 0.2 . 1 . . . . 27 GLN CB . 6797 1 354 . 1 1 27 27 GLN CG C 13 32.769 0.2 . 1 . . . . 27 GLN CG . 6797 1 355 . 1 1 27 27 GLN CD C 13 179.762 0.2 . 1 . . . . 27 GLN CD . 6797 1 356 . 1 1 27 27 GLN N N 15 118.195 0.1 . 1 . . . . 27 GLN N . 6797 1 357 . 1 1 27 27 GLN NE2 N 15 112.246 0.1 . 1 . . . . 27 GLN NE2 . 6797 1 358 . 1 1 28 28 VAL H H 1 8.836 0.02 . 1 . . . . 28 VAL HN . 6797 1 359 . 1 1 28 28 VAL HA H 1 3.561 0.02 . 1 . . . . 28 VAL HA . 6797 1 360 . 1 1 28 28 VAL HB H 1 2.032 0.02 . 1 . . . . 28 VAL HB . 6797 1 361 . 1 1 28 28 VAL HG11 H 1 1.083 0.02 . 2 . . . . 28 VAL HG11 . 6797 1 362 . 1 1 28 28 VAL HG12 H 1 1.083 0.02 . 2 . . . . 28 VAL HG11 . 6797 1 363 . 1 1 28 28 VAL HG13 H 1 1.083 0.02 . 2 . . . . 28 VAL HG11 . 6797 1 364 . 1 1 28 28 VAL HG21 H 1 1.083 0.02 . 2 . . . . 28 VAL HG21 . 6797 1 365 . 1 1 28 28 VAL HG22 H 1 1.083 0.02 . 2 . . . . 28 VAL HG21 . 6797 1 366 . 1 1 28 28 VAL HG23 H 1 1.083 0.02 . 2 . . . . 28 VAL HG21 . 6797 1 367 . 1 1 28 28 VAL C C 13 178.132 0.2 . 1 . . . . 28 VAL C . 6797 1 368 . 1 1 28 28 VAL CA C 13 64.357 0.2 . 1 . . . . 28 VAL CA . 6797 1 369 . 1 1 28 28 VAL CB C 13 31.231 0.2 . 1 . . . . 28 VAL CB . 6797 1 370 . 1 1 28 28 VAL CG1 C 13 21.938 0.2 . 1 . . . . 28 VAL CG1 . 6797 1 371 . 1 1 28 28 VAL CG2 C 13 21.938 0.2 . 1 . . . . 28 VAL CG2 . 6797 1 372 . 1 1 28 28 VAL N N 15 123.725 0.1 . 1 . . . . 28 VAL N . 6797 1 373 . 1 1 29 29 GLY H H 1 9.358 0.02 . 1 . . . . 29 GLY HN . 6797 1 374 . 1 1 29 29 GLY HA2 H 1 3.795 0.02 . 2 . . . . 29 GLY HA1 . 6797 1 375 . 1 1 29 29 GLY HA3 H 1 4.602 0.02 . 2 . . . . 29 GLY HA2 . 6797 1 376 . 1 1 29 29 GLY C C 13 174.925 0.2 . 1 . . . . 29 GLY C . 6797 1 377 . 1 1 29 29 GLY CA C 13 44.113 0.2 . 1 . . . . 29 GLY CA . 6797 1 378 . 1 1 29 29 GLY N N 15 115.99 0.1 . 1 . . . . 29 GLY N . 6797 1 379 . 1 1 30 30 GLN H H 1 7.42 0.02 . 1 . . . . 30 GLN HN . 6797 1 380 . 1 1 30 30 GLN HA H 1 4.438 0.02 . 1 . . . . 30 GLN HA . 6797 1 381 . 1 1 30 30 GLN HB2 H 1 2.176 0.02 . 2 . . . . 30 GLN HB1 . 6797 1 382 . 1 1 30 30 GLN HB3 H 1 1.985 0.02 . 2 . . . . 30 GLN HB2 . 6797 1 383 . 1 1 30 30 GLN HG2 H 1 2.368 0.02 . 2 . . . . 30 GLN HG1 . 6797 1 384 . 1 1 30 30 GLN HG3 H 1 2.386 0.02 . 2 . . . . 30 GLN HG2 . 6797 1 385 . 1 1 30 30 GLN HE21 H 1 6.875 0.02 . 2 . . . . 30 GLN HE21 . 6797 1 386 . 1 1 30 30 GLN HE22 H 1 7.416 0.02 . 2 . . . . 30 GLN HE22 . 6797 1 387 . 1 1 30 30 GLN C C 13 179.826 0.2 . 1 . . . . 30 GLN C . 6797 1 388 . 1 1 30 30 GLN CA C 13 55.897 0.2 . 1 . . . . 30 GLN CA . 6797 1 389 . 1 1 30 30 GLN CB C 13 28.93 0.2 . 1 . . . . 30 GLN CB . 6797 1 390 . 1 1 30 30 GLN CG C 13 33.762 0.2 . 1 . . . . 30 GLN CG . 6797 1 391 . 1 1 30 30 GLN CD C 13 180.404 0.2 . 1 . . . . 30 GLN CD . 6797 1 392 . 1 1 30 30 GLN N N 15 120.643 0.1 . 1 . . . . 30 GLN N . 6797 1 393 . 1 1 30 30 GLN NE2 N 15 112.644 0.1 . 1 . . . . 30 GLN NE2 . 6797 1 394 . 1 1 31 31 SER H H 1 9.014 0.02 . 1 . . . . 31 SER HN . 6797 1 395 . 1 1 31 31 SER HA H 1 5.004 0.02 . 1 . . . . 31 SER HA . 6797 1 396 . 1 1 31 31 SER HB2 H 1 4.212 0.02 . 2 . . . . 31 SER HB1 . 6797 1 397 . 1 1 31 31 SER HB3 H 1 4.683 0.02 . 2 . . . . 31 SER HB2 . 6797 1 398 . 1 1 31 31 SER C C 13 176.208 0.2 . 1 . . . . 31 SER C . 6797 1 399 . 1 1 31 31 SER CA C 13 55.846 0.2 . 1 . . . . 31 SER CA . 6797 1 400 . 1 1 31 31 SER CB C 13 65.566 0.2 . 1 . . . . 31 SER CB . 6797 1 401 . 1 1 31 31 SER N N 15 116.862 0.1 . 1 . . . . 31 SER N . 6797 1 402 . 1 1 32 32 LYS H H 1 8.947 0.02 . 1 . . . . 32 LYS HN . 6797 1 403 . 1 1 32 32 LYS HA H 1 3.475 0.02 . 1 . . . . 32 LYS HA . 6797 1 404 . 1 1 32 32 LYS HB2 H 1 1.658 0.02 . 1 . . . . 32 LYS HB1 . 6797 1 405 . 1 1 32 32 LYS HB3 H 1 1.658 0.02 . 1 . . . . 32 LYS HB2 . 6797 1 406 . 1 1 32 32 LYS HG2 H 1 1.12 0.02 . 1 . . . . 32 LYS HG1 . 6797 1 407 . 1 1 32 32 LYS HG3 H 1 1.12 0.02 . 1 . . . . 32 LYS HG2 . 6797 1 408 . 1 1 32 32 LYS C C 13 179.213 0.2 . 1 . . . . 32 LYS C . 6797 1 409 . 1 1 32 32 LYS CA C 13 59.518 0.2 . 1 . . . . 32 LYS CA . 6797 1 410 . 1 1 32 32 LYS CB C 13 32.16 0.2 . 1 . . . . 32 LYS CB . 6797 1 411 . 1 1 32 32 LYS CG C 13 27.161 0.2 . 1 . . . . 32 LYS CG . 6797 1 412 . 1 1 32 32 LYS N N 15 120.623 0.1 . 1 . . . . 32 LYS N . 6797 1 413 . 1 1 33 33 GLN H H 1 8.566 0.02 . 1 . . . . 33 GLN HN . 6797 1 414 . 1 1 33 33 GLN HA H 1 4.192 0.02 . 1 . . . . 33 GLN HA . 6797 1 415 . 1 1 33 33 GLN HB2 H 1 2.086 0.02 . 2 . . . . 33 GLN HB1 . 6797 1 416 . 1 1 33 33 GLN HB3 H 1 2.224 0.02 . 2 . . . . 33 GLN HB2 . 6797 1 417 . 1 1 33 33 GLN HG2 H 1 2.445 0.02 . 2 . . . . 33 GLN HG1 . 6797 1 418 . 1 1 33 33 GLN HG3 H 1 2.556 0.02 . 2 . . . . 33 GLN HG2 . 6797 1 419 . 1 1 33 33 GLN HE21 H 1 6.881 0.02 . 2 . . . . 33 GLN HE21 . 6797 1 420 . 1 1 33 33 GLN HE22 H 1 7.614 0.02 . 2 . . . . 33 GLN HE22 . 6797 1 421 . 1 1 33 33 GLN C C 13 179.497 0.2 . 1 . . . . 33 GLN C . 6797 1 422 . 1 1 33 33 GLN CA C 13 59.59 0.2 . 1 . . . . 33 GLN CA . 6797 1 423 . 1 1 33 33 GLN CB C 13 27.044 0.2 . 1 . . . . 33 GLN CB . 6797 1 424 . 1 1 33 33 GLN CG C 13 33.752 0.2 . 1 . . . . 33 GLN CG . 6797 1 425 . 1 1 33 33 GLN CD C 13 180.66 0.2 . 1 . . . . 33 GLN CD . 6797 1 426 . 1 1 33 33 GLN N N 15 119.368 0.1 . 1 . . . . 33 GLN N . 6797 1 427 . 1 1 33 33 GLN NE2 N 15 113.041 0.1 . 1 . . . . 33 GLN NE2 . 6797 1 428 . 1 1 34 34 GLN H H 1 8.039 0.02 . 1 . . . . 34 GLN HN . 6797 1 429 . 1 1 34 34 GLN HA H 1 4.119 0.02 . 1 . . . . 34 GLN HA . 6797 1 430 . 1 1 34 34 GLN HB2 H 1 1.942 0.02 . 1 . . . . 34 GLN HB1 . 6797 1 431 . 1 1 34 34 GLN HB3 H 1 1.942 0.02 . 1 . . . . 34 GLN HB2 . 6797 1 432 . 1 1 34 34 GLN HG2 H 1 2.509 0.02 . 1 . . . . 34 GLN HG1 . 6797 1 433 . 1 1 34 34 GLN HG3 H 1 2.509 0.02 . 1 . . . . 34 GLN HG2 . 6797 1 434 . 1 1 34 34 GLN HE21 H 1 6.884 0.02 . 2 . . . . 34 GLN HE21 . 6797 1 435 . 1 1 34 34 GLN HE22 H 1 7.493 0.02 . 2 . . . . 34 GLN HE22 . 6797 1 436 . 1 1 34 34 GLN C C 13 179.421 0.2 . 1 . . . . 34 GLN C . 6797 1 437 . 1 1 34 34 GLN CA C 13 58.705 0.2 . 1 . . . . 34 GLN CA . 6797 1 438 . 1 1 34 34 GLN CB C 13 28.407 0.2 . 1 . . . . 34 GLN CB . 6797 1 439 . 1 1 34 34 GLN CG C 13 34.586 0.2 . 1 . . . . 34 GLN CG . 6797 1 440 . 1 1 34 34 GLN N N 15 121.592 0.1 . 1 . . . . 34 GLN N . 6797 1 441 . 1 1 34 34 GLN NE2 N 15 112.644 0.1 . 1 . . . . 34 GLN NE2 . 6797 1 442 . 1 1 35 35 VAL H H 1 8.436 0.02 . 1 . . . . 35 VAL HN . 6797 1 443 . 1 1 35 35 VAL HA H 1 3.536 0.02 . 1 . . . . 35 VAL HA . 6797 1 444 . 1 1 35 35 VAL HB H 1 2.17 0.02 . 1 . . . . 35 VAL HB . 6797 1 445 . 1 1 35 35 VAL HG11 H 1 1.024 0.02 . 2 . . . . 35 VAL HG11 . 6797 1 446 . 1 1 35 35 VAL HG12 H 1 1.024 0.02 . 2 . . . . 35 VAL HG11 . 6797 1 447 . 1 1 35 35 VAL HG13 H 1 1.024 0.02 . 2 . . . . 35 VAL HG11 . 6797 1 448 . 1 1 35 35 VAL HG21 H 1 1.294 0.02 . 2 . . . . 35 VAL HG21 . 6797 1 449 . 1 1 35 35 VAL HG22 H 1 1.294 0.02 . 2 . . . . 35 VAL HG21 . 6797 1 450 . 1 1 35 35 VAL HG23 H 1 1.294 0.02 . 2 . . . . 35 VAL HG21 . 6797 1 451 . 1 1 35 35 VAL C C 13 178.635 0.2 . 1 . . . . 35 VAL C . 6797 1 452 . 1 1 35 35 VAL CA C 13 66.848 0.2 . 1 . . . . 35 VAL CA . 6797 1 453 . 1 1 35 35 VAL CB C 13 30.558 0.2 . 1 . . . . 35 VAL CB . 6797 1 454 . 1 1 35 35 VAL CG1 C 13 22.9 0.2 . 1 . . . . 35 VAL CG1 . 6797 1 455 . 1 1 35 35 VAL CG2 C 13 22.9 0.2 . 1 . . . . 35 VAL CG2 . 6797 1 456 . 1 1 35 35 VAL N N 15 121.39 0.1 . 1 . . . . 35 VAL N . 6797 1 457 . 1 1 36 36 SER H H 1 9.025 0.02 . 1 . . . . 36 SER HN . 6797 1 458 . 1 1 36 36 SER HA H 1 4.352 0.02 . 1 . . . . 36 SER HA . 6797 1 459 . 1 1 36 36 SER HB2 H 1 4.196 0.02 . 1 . . . . 36 SER HB1 . 6797 1 460 . 1 1 36 36 SER HB3 H 1 4.196 0.02 . 1 . . . . 36 SER HB2 . 6797 1 461 . 1 1 36 36 SER C C 13 177.61 0.2 . 1 . . . . 36 SER C . 6797 1 462 . 1 1 36 36 SER CA C 13 60.374 0.2 . 1 . . . . 36 SER CA . 6797 1 463 . 1 1 36 36 SER CB C 13 62.018 0.2 . 1 . . . . 36 SER CB . 6797 1 464 . 1 1 36 36 SER N N 15 116.512 0.1 . 1 . . . . 36 SER N . 6797 1 465 . 1 1 37 37 ALA H H 1 7.733 0.02 . 1 . . . . 37 ALA HN . 6797 1 466 . 1 1 37 37 ALA HA H 1 4.212 0.02 . 1 . . . . 37 ALA HA . 6797 1 467 . 1 1 37 37 ALA HB1 H 1 1.541 0.02 . 1 . . . . 37 ALA HB1 . 6797 1 468 . 1 1 37 37 ALA HB2 H 1 1.541 0.02 . 1 . . . . 37 ALA HB1 . 6797 1 469 . 1 1 37 37 ALA HB3 H 1 1.541 0.02 . 1 . . . . 37 ALA HB1 . 6797 1 470 . 1 1 37 37 ALA C C 13 178.736 0.2 . 1 . . . . 37 ALA C . 6797 1 471 . 1 1 37 37 ALA CA C 13 53.914 0.2 . 1 . . . . 37 ALA CA . 6797 1 472 . 1 1 37 37 ALA CB C 13 17.747 0.2 . 1 . . . . 37 ALA CB . 6797 1 473 . 1 1 37 37 ALA N N 15 124.3 0.1 . 1 . . . . 37 ALA N . 6797 1 474 . 1 1 38 38 LEU H H 1 7.448 0.02 . 1 . . . . 38 LEU HN . 6797 1 475 . 1 1 38 38 LEU HA H 1 4.267 0.02 . 1 . . . . 38 LEU HA . 6797 1 476 . 1 1 38 38 LEU HB2 H 1 1.377 0.02 . 2 . . . . 38 LEU HB1 . 6797 1 477 . 1 1 38 38 LEU HB3 H 1 1.802 0.02 . 2 . . . . 38 LEU HB2 . 6797 1 478 . 1 1 38 38 LEU HG H 1 1.617 0.02 . 1 . . . . 38 LEU HG . 6797 1 479 . 1 1 38 38 LEU HD11 H 1 0.774 0.02 . 2 . . . . 38 LEU HD11 . 6797 1 480 . 1 1 38 38 LEU HD12 H 1 0.774 0.02 . 2 . . . . 38 LEU HD11 . 6797 1 481 . 1 1 38 38 LEU HD13 H 1 0.774 0.02 . 2 . . . . 38 LEU HD11 . 6797 1 482 . 1 1 38 38 LEU HD21 H 1 0.774 0.02 . 2 . . . . 38 LEU HD21 . 6797 1 483 . 1 1 38 38 LEU HD22 H 1 0.774 0.02 . 2 . . . . 38 LEU HD21 . 6797 1 484 . 1 1 38 38 LEU HD23 H 1 0.774 0.02 . 2 . . . . 38 LEU HD21 . 6797 1 485 . 1 1 38 38 LEU C C 13 177.91 0.2 . 1 . . . . 38 LEU C . 6797 1 486 . 1 1 38 38 LEU CA C 13 56.225 0.2 . 1 . . . . 38 LEU CA . 6797 1 487 . 1 1 38 38 LEU CB C 13 43.431 0.2 . 1 . . . . 38 LEU CB . 6797 1 488 . 1 1 38 38 LEU CG C 13 25.894 0.2 . 1 . . . . 38 LEU CG . 6797 1 489 . 1 1 38 38 LEU CD1 C 13 23.694 0.2 . 1 . . . . 38 LEU CD1 . 6797 1 490 . 1 1 38 38 LEU CD2 C 13 23.694 0.2 . 1 . . . . 38 LEU CD2 . 6797 1 491 . 1 1 38 38 LEU N N 15 118.531 0.1 . 1 . . . . 38 LEU N . 6797 1 492 . 1 1 39 39 LEU H H 1 8.593 0.02 . 1 . . . . 39 LEU HN . 6797 1 493 . 1 1 39 39 LEU HA H 1 4.192 0.02 . 1 . . . . 39 LEU HA . 6797 1 494 . 1 1 39 39 LEU HB2 H 1 1.041 0.02 . 2 . . . . 39 LEU HB1 . 6797 1 495 . 1 1 39 39 LEU HB3 H 1 1.874 0.02 . 2 . . . . 39 LEU HB2 . 6797 1 496 . 1 1 39 39 LEU HG H 1 1.402 0.02 . 1 . . . . 39 LEU HG . 6797 1 497 . 1 1 39 39 LEU HD11 H 1 0.521 0.02 . 2 . . . . 39 LEU HD11 . 6797 1 498 . 1 1 39 39 LEU HD12 H 1 0.521 0.02 . 2 . . . . 39 LEU HD11 . 6797 1 499 . 1 1 39 39 LEU HD13 H 1 0.521 0.02 . 2 . . . . 39 LEU HD11 . 6797 1 500 . 1 1 39 39 LEU HD21 H 1 0.108 0.02 . 2 . . . . 39 LEU HD21 . 6797 1 501 . 1 1 39 39 LEU HD22 H 1 0.108 0.02 . 2 . . . . 39 LEU HD21 . 6797 1 502 . 1 1 39 39 LEU HD23 H 1 0.108 0.02 . 2 . . . . 39 LEU HD21 . 6797 1 503 . 1 1 39 39 LEU C C 13 178.389 0.2 . 1 . . . . 39 LEU C . 6797 1 504 . 1 1 39 39 LEU CA C 13 54.212 0.2 . 1 . . . . 39 LEU CA . 6797 1 505 . 1 1 39 39 LEU CB C 13 41.636 0.2 . 1 . . . . 39 LEU CB . 6797 1 506 . 1 1 39 39 LEU CG C 13 26.043 0.2 . 1 . . . . 39 LEU CG . 6797 1 507 . 1 1 39 39 LEU CD1 C 13 25.618 0.2 . 1 . . . . 39 LEU CD1 . 6797 1 508 . 1 1 39 39 LEU CD2 C 13 21.633 0.2 . 1 . . . . 39 LEU CD2 . 6797 1 509 . 1 1 39 39 LEU N N 15 115.59 0.1 . 1 . . . . 39 LEU N . 6797 1 510 . 1 1 40 40 GLY H H 1 7.768 0.02 . 1 . . . . 40 GLY HN . 6797 1 511 . 1 1 40 40 GLY HA2 H 1 4.06 0.02 . 2 . . . . 40 GLY HA1 . 6797 1 512 . 1 1 40 40 GLY HA3 H 1 4.497 0.02 . 2 . . . . 40 GLY HA2 . 6797 1 513 . 1 1 40 40 GLY C C 13 178.144 0.2 . 1 . . . . 40 GLY C . 6797 1 514 . 1 1 40 40 GLY CA C 13 43.447 0.2 . 1 . . . . 40 GLY CA . 6797 1 515 . 1 1 40 40 GLY N N 15 108.663 0.1 . 1 . . . . 40 GLY N . 6797 1 516 . 1 1 41 41 THR H H 1 8.553 0.02 . 1 . . . . 41 THR HN . 6797 1 517 . 1 1 41 41 THR HA H 1 4.066 0.02 . 1 . . . . 41 THR HA . 6797 1 518 . 1 1 41 41 THR HB H 1 3.776 0.02 . 1 . . . . 41 THR HB . 6797 1 519 . 1 1 41 41 THR HG21 H 1 0.942 0.02 . 1 . . . . 41 THR HG21 . 6797 1 520 . 1 1 41 41 THR HG22 H 1 0.942 0.02 . 1 . . . . 41 THR HG21 . 6797 1 521 . 1 1 41 41 THR HG23 H 1 0.942 0.02 . 1 . . . . 41 THR HG21 . 6797 1 522 . 1 1 41 41 THR CA C 13 59.093 0.2 . 1 . . . . 41 THR CA . 6797 1 523 . 1 1 41 41 THR CB C 13 68.32 0.2 . 1 . . . . 41 THR CB . 6797 1 524 . 1 1 41 41 THR CG2 C 13 21.418 0.2 . 1 . . . . 41 THR CG2 . 6797 1 525 . 1 1 41 41 THR N N 15 117.432 0.1 . 1 . . . . 41 THR N . 6797 1 526 . 1 1 42 42 PRO HA H 1 4.092 0.02 . 1 . . . . 42 PRO HA . 6797 1 527 . 1 1 42 42 PRO HB2 H 1 1.42 0.02 . 2 . . . . 42 PRO HB1 . 6797 1 528 . 1 1 42 42 PRO HB3 H 1 1.147 0.02 . 2 . . . . 42 PRO HB2 . 6797 1 529 . 1 1 42 42 PRO HG2 H 1 0.834 0.02 . 2 . . . . 42 PRO HG1 . 6797 1 530 . 1 1 42 42 PRO HG3 H 1 0.505 0.02 . 2 . . . . 42 PRO HG2 . 6797 1 531 . 1 1 42 42 PRO HD2 H 1 2.707 0.02 . 2 . . . . 42 PRO HD1 . 6797 1 532 . 1 1 42 42 PRO HD3 H 1 2.024 0.02 . 2 . . . . 42 PRO HD2 . 6797 1 533 . 1 1 42 42 PRO C C 13 176.545 0.2 . 1 . . . . 42 PRO C . 6797 1 534 . 1 1 42 42 PRO CA C 13 61.428 0.2 . 1 . . . . 42 PRO CA . 6797 1 535 . 1 1 42 42 PRO CB C 13 31.001 0.2 . 1 . . . . 42 PRO CB . 6797 1 536 . 1 1 42 42 PRO CG C 13 25.34 0.2 . 1 . . . . 42 PRO CG . 6797 1 537 . 1 1 42 42 PRO CD C 13 48.628 0.2 . 1 . . . . 42 PRO CD . 6797 1 538 . 1 1 43 43 SER H H 1 8.717 0.02 . 1 . . . . 43 SER HN . 6797 1 539 . 1 1 43 43 SER HA H 1 4.395 0.02 . 1 . . . . 43 SER HA . 6797 1 540 . 1 1 43 43 SER HB2 H 1 3.856 0.02 . 2 . . . . 43 SER HB1 . 6797 1 541 . 1 1 43 43 SER HB3 H 1 3.933 0.02 . 2 . . . . 43 SER HB2 . 6797 1 542 . 1 1 43 43 SER C C 13 174.487 0.2 . 1 . . . . 43 SER C . 6797 1 543 . 1 1 43 43 SER CA C 13 56.334 0.2 . 1 . . . . 43 SER CA . 6797 1 544 . 1 1 43 43 SER CB C 13 61.132 0.02 . 1 . . . . 43 SER CB . 6797 1 545 . 1 1 43 43 SER N N 15 118.801 0.1 . 1 . . . . 43 SER N . 6797 1 546 . 1 1 44 44 ILE H H 1 7.212 0.02 . 1 . . . . 44 ILE HN . 6797 1 547 . 1 1 44 44 ILE HA H 1 4.684 0.02 . 1 . . . . 44 ILE HA . 6797 1 548 . 1 1 44 44 ILE HB H 1 1.96 0.02 . 1 . . . . 44 ILE HB . 6797 1 549 . 1 1 44 44 ILE HG12 H 1 0.579 0.02 . 1 . . . . 44 ILE HG11 . 6797 1 550 . 1 1 44 44 ILE HG13 H 1 1.035 0.02 . 1 . . . . 44 ILE HG12 . 6797 1 551 . 1 1 44 44 ILE HG21 H 1 0.932 0.02 . 1 . . . . 44 ILE HG21 . 6797 1 552 . 1 1 44 44 ILE HG22 H 1 0.932 0.02 . 1 . . . . 44 ILE HG21 . 6797 1 553 . 1 1 44 44 ILE HG23 H 1 0.932 0.02 . 1 . . . . 44 ILE HG21 . 6797 1 554 . 1 1 44 44 ILE HD11 H 1 0.782 0.02 . 1 . . . . 44 ILE HD11 . 6797 1 555 . 1 1 44 44 ILE HD12 H 1 0.782 0.02 . 1 . . . . 44 ILE HD11 . 6797 1 556 . 1 1 44 44 ILE HD13 H 1 0.782 0.02 . 1 . . . . 44 ILE HD11 . 6797 1 557 . 1 1 44 44 ILE CA C 13 57.205 0.2 . 1 . . . . 44 ILE CA . 6797 1 558 . 1 1 44 44 ILE CB C 13 37.901 0.2 . 1 . . . . 44 ILE CB . 6797 1 559 . 1 1 44 44 ILE CG1 C 13 24.796 0.2 . 1 . . . . 44 ILE CG1 . 6797 1 560 . 1 1 44 44 ILE CG2 C 13 17.78 0.2 . 1 . . . . 44 ILE CG2 . 6797 1 561 . 1 1 44 44 ILE CD1 C 13 13.242 0.2 . 1 . . . . 44 ILE CD1 . 6797 1 562 . 1 1 44 44 ILE N N 15 117.212 0.1 . 1 . . . . 44 ILE N . 6797 1 563 . 1 1 45 45 PRO HA H 1 4.424 0.02 . 1 . . . . 45 PRO HA . 6797 1 564 . 1 1 45 45 PRO HB2 H 1 2.189 0.02 . 2 . . . . 45 PRO HB1 . 6797 1 565 . 1 1 45 45 PRO HB3 H 1 1.738 0.02 . 2 . . . . 45 PRO HB2 . 6797 1 566 . 1 1 45 45 PRO HG2 H 1 2.031 0.02 . 1 . . . . 45 PRO HG1 . 6797 1 567 . 1 1 45 45 PRO HG3 H 1 2.031 0.02 . 1 . . . . 45 PRO HG2 . 6797 1 568 . 1 1 45 45 PRO HD2 H 1 3.852 0.02 . 2 . . . . 45 PRO HD1 . 6797 1 569 . 1 1 45 45 PRO HD3 H 1 3.669 0.02 . 2 . . . . 45 PRO HD2 . 6797 1 570 . 1 1 45 45 PRO C C 13 176.83 0.2 . 1 . . . . 45 PRO C . 6797 1 571 . 1 1 45 45 PRO CA C 13 62.362 0.2 . 1 . . . . 45 PRO CA . 6797 1 572 . 1 1 45 45 PRO CB C 13 31.53 0.2 . 1 . . . . 45 PRO CB . 6797 1 573 . 1 1 45 45 PRO CG C 13 26.748 0.2 . 1 . . . . 45 PRO CG . 6797 1 574 . 1 1 45 45 PRO CD C 13 50.264 0.2 . 1 . . . . 45 PRO CD . 6797 1 575 . 1 1 46 46 ASP H H 1 8.609 0.02 . 1 . . . . 46 ASP HN . 6797 1 576 . 1 1 46 46 ASP HA H 1 4.731 0.02 . 1 . . . . 46 ASP HA . 6797 1 577 . 1 1 46 46 ASP HB2 H 1 2.481 0.02 . 2 . . . . 46 ASP HB1 . 6797 1 578 . 1 1 46 46 ASP HB3 H 1 3.048 0.02 . 2 . . . . 46 ASP HB2 . 6797 1 579 . 1 1 46 46 ASP CA C 13 52.376 0.2 . 1 . . . . 46 ASP CA . 6797 1 580 . 1 1 46 46 ASP CB C 13 39.863 0.2 . 1 . . . . 46 ASP CB . 6797 1 581 . 1 1 46 46 ASP N N 15 117.212 0.1 . 1 . . . . 46 ASP N . 6797 1 582 . 1 1 47 47 PRO HA H 1 3.997 0.02 . 1 . . . . 47 PRO HA . 6797 1 583 . 1 1 47 47 PRO HB2 H 1 1.092 0.02 . 2 . . . . 47 PRO HB1 . 6797 1 584 . 1 1 47 47 PRO HB3 H 1 1.382 0.02 . 2 . . . . 47 PRO HB2 . 6797 1 585 . 1 1 47 47 PRO HG2 H 1 1.805 0.02 . 1 . . . . 47 PRO HG1 . 6797 1 586 . 1 1 47 47 PRO HG3 H 1 1.805 0.02 . 1 . . . . 47 PRO HG2 . 6797 1 587 . 1 1 47 47 PRO HD2 H 1 3.854 0.02 . 2 . . . . 47 PRO HD1 . 6797 1 588 . 1 1 47 47 PRO HD3 H 1 3.834 0.02 . 2 . . . . 47 PRO HD2 . 6797 1 589 . 1 1 47 47 PRO C C 13 176.284 0.2 . 1 . . . . 47 PRO C . 6797 1 590 . 1 1 47 47 PRO CA C 13 63.976 0.2 . 1 . . . . 47 PRO CA . 6797 1 591 . 1 1 47 47 PRO CB C 13 30.433 0.2 . 1 . . . . 47 PRO CB . 6797 1 592 . 1 1 47 47 PRO CG C 13 26.335 0.2 . 1 . . . . 47 PRO CG . 6797 1 593 . 1 1 47 47 PRO CD C 13 49.5 0.2 . 1 . . . . 47 PRO CD . 6797 1 594 . 1 1 48 48 PHE H H 1 9.006 0.02 . 1 . . . . 48 PHE HN . 6797 1 595 . 1 1 48 48 PHE HA H 1 4.27 0.02 . 1 . . . . 48 PHE HA . 6797 1 596 . 1 1 48 48 PHE HB2 H 1 3.06 0.02 . 1 . . . . 48 PHE HB1 . 6797 1 597 . 1 1 48 48 PHE HB3 H 1 3.06 0.02 . 1 . . . . 48 PHE HB2 . 6797 1 598 . 1 1 48 48 PHE HD1 H 1 7.23 0.02 . 1 . . . . 48 PHE HD1 . 6797 1 599 . 1 1 48 48 PHE HD2 H 1 7.23 0.02 . 1 . . . . 48 PHE HD2 . 6797 1 600 . 1 1 48 48 PHE HE1 H 1 7.273 0.02 . 1 . . . . 48 PHE HE1 . 6797 1 601 . 1 1 48 48 PHE HE2 H 1 7.273 0.02 . 1 . . . . 48 PHE HE2 . 6797 1 602 . 1 1 48 48 PHE C C 13 177.526 0.02 . 1 . . . . 48 PHE C . 6797 1 603 . 1 1 48 48 PHE CA C 13 61.76 0.2 . 1 . . . . 48 PHE CA . 6797 1 604 . 1 1 48 48 PHE CB C 13 36.175 0.2 . 1 . . . . 48 PHE CB . 6797 1 605 . 1 1 48 48 PHE CD1 C 13 130.368 0.2 . 1 . . . . 48 PHE CD1 . 6797 1 606 . 1 1 48 48 PHE CD2 C 13 130.368 0.2 . 1 . . . . 48 PHE CD2 . 6797 1 607 . 1 1 48 48 PHE CE1 C 13 129.9 0.2 . 1 . . . . 48 PHE CE1 . 6797 1 608 . 1 1 48 48 PHE CE2 C 13 129.9 0.2 . 1 . . . . 48 PHE CE2 . 6797 1 609 . 1 1 48 48 PHE N N 15 116.885 0.1 . 1 . . . . 48 PHE N . 6797 1 610 . 1 1 49 49 HIS H H 1 7.733 0.02 . 1 . . . . 49 HIS HN . 6797 1 611 . 1 1 49 49 HIS HA H 1 4.915 0.02 . 1 . . . . 49 HIS HA . 6797 1 612 . 1 1 49 49 HIS HB2 H 1 3.049 0.2 . 2 . . . . 49 HIS HB1 . 6797 1 613 . 1 1 49 49 HIS HB3 H 1 3.614 0.02 . 2 . . . . 49 HIS HB2 . 6797 1 614 . 1 1 49 49 HIS HD2 H 1 7.43 0.02 . 1 . . . . 49 HIS HD2 . 6797 1 615 . 1 1 49 49 HIS HE1 H 1 7.014 0.02 . 1 . . . . 49 HIS HE1 . 6797 1 616 . 1 1 49 49 HIS C C 13 173.385 0.2 . 1 . . . . 49 HIS C . 6797 1 617 . 1 1 49 49 HIS CA C 13 55.91 0.2 . 1 . . . . 49 HIS CA . 6797 1 618 . 1 1 49 49 HIS CB C 13 28.012 0.2 . 1 . . . . 49 HIS CB . 6797 1 619 . 1 1 49 49 HIS CD2 C 13 118.415 0.2 . 1 . . . . 49 HIS CD2 . 6797 1 620 . 1 1 49 49 HIS CE1 C 13 127.79 0.2 . 1 . . . . 49 HIS CE1 . 6797 1 621 . 1 1 49 49 HIS N N 15 118.073 0.1 . 1 . . . . 49 HIS N . 6797 1 622 . 1 1 50 50 ALA H H 1 7.539 0.02 . 1 . . . . 50 ALA HN . 6797 1 623 . 1 1 50 50 ALA HA H 1 4.685 0.02 . 1 . . . . 50 ALA HA . 6797 1 624 . 1 1 50 50 ALA HB1 H 1 1.745 0.02 . 1 . . . . 50 ALA HB1 . 6797 1 625 . 1 1 50 50 ALA HB2 H 1 1.745 0.02 . 1 . . . . 50 ALA HB1 . 6797 1 626 . 1 1 50 50 ALA HB3 H 1 1.745 0.02 . 1 . . . . 50 ALA HB1 . 6797 1 627 . 1 1 50 50 ALA C C 13 177.794 0.2 . 1 . . . . 50 ALA C . 6797 1 628 . 1 1 50 50 ALA CA C 13 51.241 0.2 . 1 . . . . 50 ALA CA . 6797 1 629 . 1 1 50 50 ALA CB C 13 20.826 0.2 . 1 . . . . 50 ALA CB . 6797 1 630 . 1 1 50 50 ALA N N 15 124.06 0.1 . 1 . . . . 50 ALA N . 6797 1 631 . 1 1 51 51 GLN H H 1 8.904 0.02 . 1 . . . . 51 GLN HN . 6797 1 632 . 1 1 51 51 GLN HA H 1 4.697 0.02 . 1 . . . . 51 GLN HA . 6797 1 633 . 1 1 51 51 GLN HB2 H 1 2.054 0.02 . 2 . . . . 51 GLN HB1 . 6797 1 634 . 1 1 51 51 GLN HB3 H 1 2.718 0.02 . 2 . . . . 51 GLN HB2 . 6797 1 635 . 1 1 51 51 GLN HG2 H 1 2.527 0.02 . 2 . . . . 51 GLN HG1 . 6797 1 636 . 1 1 51 51 GLN HG3 H 1 2.627 0.02 . 2 . . . . 51 GLN HG2 . 6797 1 637 . 1 1 51 51 GLN HE21 H 1 7.203 0.02 . 2 . . . . 51 GLN HE21 . 6797 1 638 . 1 1 51 51 GLN HE22 H 1 7.446 0.02 . 2 . . . . 51 GLN HE22 . 6797 1 639 . 1 1 51 51 GLN C C 13 174.668 0.2 . 1 . . . . 51 GLN C . 6797 1 640 . 1 1 51 51 GLN CA C 13 54.563 0.2 . 1 . . . . 51 GLN CA . 6797 1 641 . 1 1 51 51 GLN CB C 13 28.365 0.2 . 1 . . . . 51 GLN CB . 6797 1 642 . 1 1 51 51 GLN CG C 13 32.907 0.2 . 1 . . . . 51 GLN CG . 6797 1 643 . 1 1 51 51 GLN CD C 13 181.031 0.2 . 1 . . . . 51 GLN CD . 6797 1 644 . 1 1 51 51 GLN N N 15 117.694 0.1 . 1 . . . . 51 GLN N . 6797 1 645 . 1 1 51 51 GLN NE2 N 15 113.041 0.1 . 1 . . . . 51 GLN NE2 . 6797 1 646 . 1 1 52 52 ARG H H 1 7.488 0.02 . 1 . . . . 52 ARG HN . 6797 1 647 . 1 1 52 52 ARG HA H 1 5.1 0.02 . 1 . . . . 52 ARG HA . 6797 1 648 . 1 1 52 52 ARG HB2 H 1 1.54 0.02 . 2 . . . . 52 ARG HB1 . 6797 1 649 . 1 1 52 52 ARG HB3 H 1 1.707 0.02 . 2 . . . . 52 ARG HB2 . 6797 1 650 . 1 1 52 52 ARG HG2 H 1 1.142 0.02 . 2 . . . . 52 ARG HG1 . 6797 1 651 . 1 1 52 52 ARG HG3 H 1 1.378 0.02 . 2 . . . . 52 ARG HG2 . 6797 1 652 . 1 1 52 52 ARG HD2 H 1 3.181 0.02 . 1 . . . . 52 ARG HD1 . 6797 1 653 . 1 1 52 52 ARG HD3 H 1 3.181 0.02 . 1 . . . . 52 ARG HD2 . 6797 1 654 . 1 1 52 52 ARG HE H 1 8.402 0.02 . 1 . . . . 52 ARG HE . 6797 1 655 . 1 1 52 52 ARG C C 13 174.54 0.2 . 1 . . . . 52 ARG C . 6797 1 656 . 1 1 52 52 ARG CA C 13 53.765 0.2 . 1 . . . . 52 ARG CA . 6797 1 657 . 1 1 52 52 ARG CB C 13 32.372 0.2 . 1 . . . . 52 ARG CB . 6797 1 658 . 1 1 52 52 ARG CG C 13 25.756 0.2 . 1 . . . . 52 ARG CG . 6797 1 659 . 1 1 52 52 ARG CD C 13 43.086 0.2 . 1 . . . . 52 ARG CD . 6797 1 660 . 1 1 52 52 ARG N N 15 117.725 0.1 . 1 . . . . 52 ARG N . 6797 1 661 . 1 1 52 52 ARG NE N 15 113.737 0.1 . 1 . . . . 52 ARG NE . 6797 1 662 . 1 1 53 53 TRP H H 1 9.534 0.02 . 1 . . . . 53 TRP HN . 6797 1 663 . 1 1 53 53 TRP HA H 1 4.978 0.02 . 1 . . . . 53 TRP HA . 6797 1 664 . 1 1 53 53 TRP HB2 H 1 2.872 0.02 . 2 . . . . 53 TRP HB1 . 6797 1 665 . 1 1 53 53 TRP HB3 H 1 3.416 0.02 . 2 . . . . 53 TRP HB2 . 6797 1 666 . 1 1 53 53 TRP HD1 H 1 6.863 0.02 . 1 . . . . 53 TRP HD1 . 6797 1 667 . 1 1 53 53 TRP HE1 H 1 10.038 0.02 . 1 . . . . 53 TRP HE1 . 6797 1 668 . 1 1 53 53 TRP HE3 H 1 6.429 0.02 . 1 . . . . 53 TRP HE3 . 6797 1 669 . 1 1 53 53 TRP HZ2 H 1 6.181 0.02 . 1 . . . . 53 TRP HZ2 . 6797 1 670 . 1 1 53 53 TRP HZ3 H 1 8.115 0.02 . 1 . . . . 53 TRP HZ3 . 6797 1 671 . 1 1 53 53 TRP HH2 H 1 6.879 0.02 . 1 . . . . 53 TRP HH2 . 6797 1 672 . 1 1 53 53 TRP C C 13 173.385 0.2 . 1 . . . . 53 TRP C . 6797 1 673 . 1 1 53 53 TRP CA C 13 53.675 0.2 . 1 . . . . 53 TRP CA . 6797 1 674 . 1 1 53 53 TRP CB C 13 31.878 0.2 . 1 . . . . 53 TRP CB . 6797 1 675 . 1 1 53 53 TRP CD1 C 13 124.04 0.2 . 1 . . . . 53 TRP CD1 . 6797 1 676 . 1 1 53 53 TRP CE3 C 13 116.071 0.2 . 1 . . . . 53 TRP CE3 . 6797 1 677 . 1 1 53 53 TRP CZ2 C 13 110.212 0.2 . 1 . . . . 53 TRP CZ2 . 6797 1 678 . 1 1 53 53 TRP CZ3 C 13 121.228 0.2 . 1 . . . . 53 TRP CZ3 . 6797 1 679 . 1 1 53 53 TRP CH2 C 13 120.056 0.2 . 1 . . . . 53 TRP CH2 . 6797 1 680 . 1 1 53 53 TRP N N 15 128.39 0.1 . 1 . . . . 53 TRP N . 6797 1 681 . 1 1 53 53 TRP NE1 N 15 128.534 0.1 . 1 . . . . 53 TRP NE1 . 6797 1 682 . 1 1 54 54 ASP H H 1 7.937 0.02 . 1 . . . . 54 ASP HN . 6797 1 683 . 1 1 54 54 ASP HA H 1 5.389 0.02 . 1 . . . . 54 ASP HA . 6797 1 684 . 1 1 54 54 ASP HB2 H 1 2.396 0.02 . 2 . . . . 54 ASP HB1 . 6797 1 685 . 1 1 54 54 ASP HB3 H 1 2.642 0.02 . 2 . . . . 54 ASP HB2 . 6797 1 686 . 1 1 54 54 ASP C C 13 174.54 0.2 . 1 . . . . 54 ASP C . 6797 1 687 . 1 1 54 54 ASP CA C 13 53.176 0.2 . 1 . . . . 54 ASP CA . 6797 1 688 . 1 1 54 54 ASP CB C 13 42.952 0.2 . 1 . . . . 54 ASP CB . 6797 1 689 . 1 1 54 54 ASP N N 15 123.865 0.1 . 1 . . . . 54 ASP N . 6797 1 690 . 1 1 55 55 TYR H H 1 9.9 0.02 . 1 . . . . 55 TYR HN . 6797 1 691 . 1 1 55 55 TYR HA H 1 4.629 0.02 . 1 . . . . 55 TYR HA . 6797 1 692 . 1 1 55 55 TYR HB2 H 1 3.022 0.02 . 2 . . . . 55 TYR HB1 . 6797 1 693 . 1 1 55 55 TYR HB3 H 1 3.182 0.02 . 2 . . . . 55 TYR HB2 . 6797 1 694 . 1 1 55 55 TYR HD1 H 1 6.438 0.02 . 1 . . . . 55 TYR HD1 . 6797 1 695 . 1 1 55 55 TYR HD2 H 1 6.438 0.02 . 1 . . . . 55 TYR HD2 . 6797 1 696 . 1 1 55 55 TYR HE1 H 1 7.167 0.02 . 1 . . . . 55 TYR HE1 . 6797 1 697 . 1 1 55 55 TYR HE2 H 1 7.167 0.02 . 1 . . . . 55 TYR HE2 . 6797 1 698 . 1 1 55 55 TYR C C 13 176.208 0.2 . 1 . . . . 55 TYR C . 6797 1 699 . 1 1 55 55 TYR CA C 13 56.923 0.2 . 1 . . . . 55 TYR CA . 6797 1 700 . 1 1 55 55 TYR CB C 13 39.42 0.2 . 1 . . . . 55 TYR CB . 6797 1 701 . 1 1 55 55 TYR CD1 C 13 132.243 0.2 . 1 . . . . 55 TYR CD1 . 6797 1 702 . 1 1 55 55 TYR CD2 C 13 132.243 0.2 . 1 . . . . 55 TYR CD2 . 6797 1 703 . 1 1 55 55 TYR CE1 C 13 116.306 0.2 . 1 . . . . 55 TYR CE1 . 6797 1 704 . 1 1 55 55 TYR CE2 C 13 116.306 0.2 . 1 . . . . 55 TYR CE2 . 6797 1 705 . 1 1 55 55 TYR N N 15 123.524 0.1 . 1 . . . . 55 TYR N . 6797 1 706 . 1 1 56 56 THR H H 1 8.777 0.02 . 1 . . . . 56 THR HN . 6797 1 707 . 1 1 56 56 THR HA H 1 5.357 0.02 . 1 . . . . 56 THR HA . 6797 1 708 . 1 1 56 56 THR HB H 1 4.064 0.02 . 1 . . . . 56 THR HB . 6797 1 709 . 1 1 56 56 THR HG21 H 1 1.27 0.02 . 1 . . . . 56 THR HG21 . 6797 1 710 . 1 1 56 56 THR HG22 H 1 1.27 0.02 . 1 . . . . 56 THR HG21 . 6797 1 711 . 1 1 56 56 THR HG23 H 1 1.27 0.02 . 1 . . . . 56 THR HG21 . 6797 1 712 . 1 1 56 56 THR C C 13 174.283 0.2 . 1 . . . . 56 THR C . 6797 1 713 . 1 1 56 56 THR CA C 13 60.766 0.2 . 1 . . . . 56 THR CA . 6797 1 714 . 1 1 56 56 THR CB C 13 70.307 0.2 . 1 . . . . 56 THR CB . 6797 1 715 . 1 1 56 56 THR CG2 C 13 21.369 0.2 . 1 . . . . 56 THR CG2 . 6797 1 716 . 1 1 56 56 THR N N 15 121.067 0.1 . 1 . . . . 56 THR N . 6797 1 717 . 1 1 57 57 SER H H 1 9.031 0.02 . 1 . . . . 57 SER HN . 6797 1 718 . 1 1 57 57 SER HA H 1 4.968 0.02 . 1 . . . . 57 SER HA . 6797 1 719 . 1 1 57 57 SER HB2 H 1 3.921 0.02 . 2 . . . . 57 SER HB1 . 6797 1 720 . 1 1 57 57 SER HB3 H 1 3.982 0.02 . 2 . . . . 57 SER HB2 . 6797 1 721 . 1 1 57 57 SER C C 13 177.979 0.2 . 1 . . . . 57 SER C . 6797 1 722 . 1 1 57 57 SER CA C 13 56.937 0.2 . 1 . . . . 57 SER CA . 6797 1 723 . 1 1 57 57 SER CB C 13 64.75 0.2 . 1 . . . . 57 SER CB . 6797 1 724 . 1 1 57 57 SER N N 15 121.39 0.1 . 1 . . . . 57 SER N . 6797 1 725 . 1 1 58 58 THR H H 1 8.606 0.02 . 1 . . . . 58 THR HN . 6797 1 726 . 1 1 58 58 THR HA H 1 5.128 0.02 . 1 . . . . 58 THR HA . 6797 1 727 . 1 1 58 58 THR HB H 1 4.089 0.02 . 1 . . . . 58 THR HB . 6797 1 728 . 1 1 58 58 THR HG21 H 1 1.138 0.02 . 1 . . . . 58 THR HG21 . 6797 1 729 . 1 1 58 58 THR HG22 H 1 1.138 0.02 . 1 . . . . 58 THR HG21 . 6797 1 730 . 1 1 58 58 THR HG23 H 1 1.138 0.02 . 1 . . . . 58 THR HG21 . 6797 1 731 . 1 1 58 58 THR C C 13 174.027 0.2 . 1 . . . . 58 THR C . 6797 1 732 . 1 1 58 58 THR CA C 13 60.154 0.2 . 1 . . . . 58 THR CA . 6797 1 733 . 1 1 58 58 THR CB C 13 70.228 0.2 . 1 . . . . 58 THR CB . 6797 1 734 . 1 1 58 58 THR CG2 C 13 21.493 0.2 . 1 . . . . 58 THR CG2 . 6797 1 735 . 1 1 58 58 THR N N 15 115.824 0.1 . 1 . . . . 58 THR N . 6797 1 736 . 1 1 59 59 GLN H H 1 8.518 0.02 . 1 . . . . 59 GLN HN . 6797 1 737 . 1 1 59 59 GLN HA H 1 4.429 0.02 . 1 . . . . 59 GLN HA . 6797 1 738 . 1 1 59 59 GLN HB2 H 1 2.171 0.02 . 2 . . . . 59 GLN HB1 . 6797 1 739 . 1 1 59 59 GLN HB3 H 1 1.708 0.02 . 2 . . . . 59 GLN HB2 . 6797 1 740 . 1 1 59 59 GLN HG2 H 1 2.294 0.02 . 1 . . . . 59 GLN HG1 . 6797 1 741 . 1 1 59 59 GLN HG3 H 1 2.294 0.02 . 1 . . . . 59 GLN HG2 . 6797 1 742 . 1 1 59 59 GLN HE21 H 1 6.964 0.02 . 2 . . . . 59 GLN HE21 . 6797 1 743 . 1 1 59 59 GLN HE22 H 1 7.528 0.02 . 2 . . . . 59 GLN HE22 . 6797 1 744 . 1 1 59 59 GLN C C 13 174.862 0.2 . 1 . . . . 59 GLN C . 6797 1 745 . 1 1 59 59 GLN CA C 13 54.231 0.2 . 1 . . . . 59 GLN CA . 6797 1 746 . 1 1 59 59 GLN CB C 13 31.051 0.2 . 1 . . . . 59 GLN CB . 6797 1 747 . 1 1 59 59 GLN CG C 13 31.051 0.2 . 1 . . . . 59 GLN CG . 6797 1 748 . 1 1 59 59 GLN CD C 13 180.667 0.2 . 1 . . . . 59 GLN CD . 6797 1 749 . 1 1 59 59 GLN N N 15 122.901 0.1 . 1 . . . . 59 GLN N . 6797 1 750 . 1 1 59 59 GLN NE2 N 15 112.843 0.1 . 1 . . . . 59 GLN NE2 . 6797 1 751 . 1 1 60 60 ARG H H 1 8.568 0.02 . 1 . . . . 60 ARG HN . 6797 1 752 . 1 1 60 60 ARG HA H 1 4.583 0.02 . 1 . . . . 60 ARG HA . 6797 1 753 . 1 1 60 60 ARG HB2 H 1 1.662 0.02 . 2 . . . . 60 ARG HB1 . 6797 1 754 . 1 1 60 60 ARG HB3 H 1 1.799 0.02 . 2 . . . . 60 ARG HB2 . 6797 1 755 . 1 1 60 60 ARG HG2 H 1 1.511 0.02 . 1 . . . . 60 ARG HG1 . 6797 1 756 . 1 1 60 60 ARG HG3 H 1 1.511 0.02 . 1 . . . . 60 ARG HG2 . 6797 1 757 . 1 1 60 60 ARG HD2 H 1 3.101 0.02 . 1 . . . . 60 ARG HD1 . 6797 1 758 . 1 1 60 60 ARG HD3 H 1 3.101 0.02 . 1 . . . . 60 ARG HD2 . 6797 1 759 . 1 1 60 60 ARG HE H 1 7.721 0.02 . 1 . . . . 60 ARG HE . 6797 1 760 . 1 1 60 60 ARG C C 13 176.464 0.2 . 1 . . . . 60 ARG C . 6797 1 761 . 1 1 60 60 ARG CA C 13 55.061 0.2 . 1 . . . . 60 ARG CA . 6797 1 762 . 1 1 60 60 ARG CB C 13 30.558 0.2 . 1 . . . . 60 ARG CB . 6797 1 763 . 1 1 60 60 ARG CG C 13 26.581 0.2 . 1 . . . . 60 ARG CG . 6797 1 764 . 1 1 60 60 ARG CD C 13 42.809 0.2 . 1 . . . . 60 ARG CD . 6797 1 765 . 1 1 60 60 ARG N N 15 125.537 0.1 . 1 . . . . 60 ARG N . 6797 1 766 . 1 1 60 60 ARG NE N 15 124.661 0.1 . 1 . . . . 60 ARG NE . 6797 1 767 . 1 1 61 61 VAL H H 1 8.675 0.02 . 1 . . . . 61 VAL HN . 6797 1 768 . 1 1 61 61 VAL HA H 1 4.148 0.02 . 1 . . . . 61 VAL HA . 6797 1 769 . 1 1 61 61 VAL HB H 1 2.085 0.02 . 1 . . . . 61 VAL HB . 6797 1 770 . 1 1 61 61 VAL HG11 H 1 0.928 0.02 . 2 . . . . 61 VAL HG11 . 6797 1 771 . 1 1 61 61 VAL HG12 H 1 0.928 0.02 . 2 . . . . 61 VAL HG11 . 6797 1 772 . 1 1 61 61 VAL HG13 H 1 0.928 0.02 . 2 . . . . 61 VAL HG11 . 6797 1 773 . 1 1 61 61 VAL HG21 H 1 0.928 0.02 . 2 . . . . 61 VAL HG21 . 6797 1 774 . 1 1 61 61 VAL HG22 H 1 0.928 0.02 . 2 . . . . 61 VAL HG21 . 6797 1 775 . 1 1 61 61 VAL HG23 H 1 0.928 0.02 . 2 . . . . 61 VAL HG21 . 6797 1 776 . 1 1 61 61 VAL C C 13 175.888 0.2 . 1 . . . . 61 VAL C . 6797 1 777 . 1 1 61 61 VAL CA C 13 61.64 0.2 . 1 . . . . 61 VAL CA . 6797 1 778 . 1 1 61 61 VAL CB C 13 31.873 0.02 . 1 . . . . 61 VAL CB . 6797 1 779 . 1 1 61 61 VAL CG1 C 13 20.806 0.2 . 1 . . . . 61 VAL CG1 . 6797 1 780 . 1 1 61 61 VAL CG2 C 13 20.806 0.2 . 1 . . . . 61 VAL CG2 . 6797 1 781 . 1 1 61 61 VAL N N 15 124.351 0.1 . 1 . . . . 61 VAL N . 6797 1 782 . 1 1 62 62 ASP H H 1 8.355 0.02 . 1 . . . . 62 ASP HN . 6797 1 783 . 1 1 62 62 ASP HA H 1 4.479 0.02 . 1 . . . . 62 ASP HA . 6797 1 784 . 1 1 62 62 ASP HB2 H 1 2.723 0.02 . 1 . . . . 62 ASP HB1 . 6797 1 785 . 1 1 62 62 ASP HB3 H 1 2.723 0.02 . 1 . . . . 62 ASP HB2 . 6797 1 786 . 1 1 62 62 ASP C C 13 177.432 0.2 . 1 . . . . 62 ASP C . 6797 1 787 . 1 1 62 62 ASP CA C 13 54.488 0.2 . 1 . . . . 62 ASP CA . 6797 1 788 . 1 1 62 62 ASP CB C 13 40.792 0.2 . 1 . . . . 62 ASP CB . 6797 1 789 . 1 1 62 62 ASP N N 15 123.781 0.1 . 1 . . . . 62 ASP N . 6797 1 790 . 1 1 63 63 ARG H H 1 8.532 0.02 . 1 . . . . 63 ARG HN . 6797 1 791 . 1 1 63 63 ARG HA H 1 4.139 0.02 . 1 . . . . 63 ARG HA . 6797 1 792 . 1 1 63 63 ARG HB2 H 1 1.859 0.02 . 1 . . . . 63 ARG HB1 . 6797 1 793 . 1 1 63 63 ARG HB3 H 1 1.859 0.02 . 1 . . . . 63 ARG HB2 . 6797 1 794 . 1 1 63 63 ARG HG2 H 1 1.609 0.02 . 1 . . . . 63 ARG HG1 . 6797 1 795 . 1 1 63 63 ARG HG3 H 1 1.609 0.02 . 1 . . . . 63 ARG HG2 . 6797 1 796 . 1 1 63 63 ARG HD2 H 1 3.205 0.02 . 1 . . . . 63 ARG HD1 . 6797 1 797 . 1 1 63 63 ARG HD3 H 1 3.205 0.02 . 1 . . . . 63 ARG HD2 . 6797 1 798 . 1 1 63 63 ARG HE H 1 7.311 0.02 . 1 . . . . 63 ARG HE . 6797 1 799 . 1 1 63 63 ARG C C 13 172.461 0.02 . 1 . . . . 63 ARG C . 6797 1 800 . 1 1 63 63 ARG CA C 13 57.204 0.2 . 1 . . . . 63 ARG CA . 6797 1 801 . 1 1 63 63 ARG CB C 13 29.272 0.2 . 1 . . . . 63 ARG CB . 6797 1 802 . 1 1 63 63 ARG CG C 13 26.58 0.2 . 1 . . . . 63 ARG CG . 6797 1 803 . 1 1 63 63 ARG CD C 13 42.534 0.2 . 1 . . . . 63 ARG CD . 6797 1 804 . 1 1 63 63 ARG N N 15 119.705 0.1 . 1 . . . . 63 ARG N . 6797 1 805 . 1 1 63 63 ARG NE N 15 110.757 0.1 . 1 . . . . 63 ARG NE . 6797 1 806 . 1 1 64 64 LEU H H 1 7.885 0.02 . 1 . . . . 64 LEU HN . 6797 1 807 . 1 1 64 64 LEU HA H 1 4.431 0.02 . 1 . . . . 64 LEU HA . 6797 1 808 . 1 1 64 64 LEU HB2 H 1 1.683 0.02 . 1 . . . . 64 LEU HB1 . 6797 1 809 . 1 1 64 64 LEU HB3 H 1 1.683 0.02 . 1 . . . . 64 LEU HB2 . 6797 1 810 . 1 1 64 64 LEU HG H 1 1.558 0.02 . 1 . . . . 64 LEU HG . 6797 1 811 . 1 1 64 64 LEU HD11 H 1 0.901 0.02 . 2 . . . . 64 LEU HD11 . 6797 1 812 . 1 1 64 64 LEU HD12 H 1 0.901 0.02 . 2 . . . . 64 LEU HD11 . 6797 1 813 . 1 1 64 64 LEU HD13 H 1 0.901 0.02 . 2 . . . . 64 LEU HD11 . 6797 1 814 . 1 1 64 64 LEU HD21 H 1 0.911 0.02 . 2 . . . . 64 LEU HD21 . 6797 1 815 . 1 1 64 64 LEU HD22 H 1 0.911 0.02 . 2 . . . . 64 LEU HD21 . 6797 1 816 . 1 1 64 64 LEU HD23 H 1 0.911 0.02 . 2 . . . . 64 LEU HD21 . 6797 1 817 . 1 1 64 64 LEU C C 13 176.721 0.2 . 1 . . . . 64 LEU C . 6797 1 818 . 1 1 64 64 LEU CA C 13 54.031 0.2 . 1 . . . . 64 LEU CA . 6797 1 819 . 1 1 64 64 LEU CB C 13 41.684 0.2 . 1 . . . . 64 LEU CB . 6797 1 820 . 1 1 64 64 LEU CG C 13 27.16 0.2 . 1 . . . . 64 LEU CG . 6797 1 821 . 1 1 64 64 LEU CD1 C 13 22.76 0.2 . 1 . . . . 64 LEU CD1 . 6797 1 822 . 1 1 64 64 LEU CD2 C 13 24.548 0.2 . 1 . . . . 64 LEU CD2 . 6797 1 823 . 1 1 64 64 LEU N N 15 119.625 0.1 . 1 . . . . 64 LEU N . 6797 1 824 . 1 1 65 65 ALA H H 1 7.975 0.02 . 1 . . . . 65 ALA HN . 6797 1 825 . 1 1 65 65 ALA HA H 1 4.252 0.02 . 1 . . . . 65 ALA HA . 6797 1 826 . 1 1 65 65 ALA HB1 H 1 1.433 0.02 . 1 . . . . 65 ALA HB1 . 6797 1 827 . 1 1 65 65 ALA HB2 H 1 1.433 0.02 . 1 . . . . 65 ALA HB1 . 6797 1 828 . 1 1 65 65 ALA HB3 H 1 1.433 0.02 . 1 . . . . 65 ALA HB1 . 6797 1 829 . 1 1 65 65 ALA C C 13 177.148 0.2 . 1 . . . . 65 ALA C . 6797 1 830 . 1 1 65 65 ALA CA C 13 51.839 0.2 . 1 . . . . 65 ALA CA . 6797 1 831 . 1 1 65 65 ALA CB C 13 18.567 0.2 . 1 . . . . 65 ALA CB . 6797 1 832 . 1 1 65 65 ALA N N 15 123.731 0.1 . 1 . . . . 65 ALA N . 6797 1 833 . 1 1 66 66 ARG H H 1 7.984 0.02 . 1 . . . . 66 ARG HN . 6797 1 834 . 1 1 66 66 ARG HA H 1 4.501 0.02 . 1 . . . . 66 ARG HA . 6797 1 835 . 1 1 66 66 ARG HB2 H 1 1.825 0.02 . 1 . . . . 66 ARG HB1 . 6797 1 836 . 1 1 66 66 ARG HB3 H 1 1.825 0.02 . 1 . . . . 66 ARG HB2 . 6797 1 837 . 1 1 66 66 ARG HG2 H 1 1.617 0.02 . 1 . . . . 66 ARG HG1 . 6797 1 838 . 1 1 66 66 ARG HG3 H 1 1.617 0.02 . 1 . . . . 66 ARG HG2 . 6797 1 839 . 1 1 66 66 ARG HD2 H 1 3.205 0.02 . 1 . . . . 66 ARG HD1 . 6797 1 840 . 1 1 66 66 ARG HD3 H 1 3.205 0.02 . 1 . . . . 66 ARG HD2 . 6797 1 841 . 1 1 66 66 ARG C C 13 176.07 0.2 . 1 . . . . 66 ARG C . 6797 1 842 . 1 1 66 66 ARG CA C 13 55.273 0.2 . 1 . . . . 66 ARG CA . 6797 1 843 . 1 1 66 66 ARG CB C 13 31.001 0.2 . 1 . . . . 66 ARG CB . 6797 1 844 . 1 1 66 66 ARG CG C 13 26.304 0.2 . 1 . . . . 66 ARG CG . 6797 1 845 . 1 1 66 66 ARG CD C 13 42.946 0.2 . 1 . . . . 66 ARG CD . 6797 1 846 . 1 1 66 66 ARG N N 15 118.48 0.1 . 1 . . . . 66 ARG N . 6797 1 847 . 1 1 67 67 THR H H 1 8.369 0.02 . 1 . . . . 67 THR HN . 6797 1 848 . 1 1 67 67 THR HA H 1 4.581 0.02 . 1 . . . . 67 THR HA . 6797 1 849 . 1 1 67 67 THR HB H 1 4.061 0.02 . 1 . . . . 67 THR HB . 6797 1 850 . 1 1 67 67 THR HG21 H 1 1.12 0.02 . 1 . . . . 67 THR HG21 . 6797 1 851 . 1 1 67 67 THR HG22 H 1 1.12 0.02 . 1 . . . . 67 THR HG21 . 6797 1 852 . 1 1 67 67 THR HG23 H 1 1.12 0.02 . 1 . . . . 67 THR HG21 . 6797 1 853 . 1 1 67 67 THR C C 13 174.283 0.2 . 1 . . . . 67 THR C . 6797 1 854 . 1 1 67 67 THR CA C 13 61.17 0.2 . 1 . . . . 67 THR CA . 6797 1 855 . 1 1 67 67 THR CB C 13 69.194 0.2 . 1 . . . . 67 THR CB . 6797 1 856 . 1 1 67 67 THR CG2 C 13 20.81 0.2 . 1 . . . . 67 THR CG2 . 6797 1 857 . 1 1 67 67 THR N N 15 117.566 0.1 . 1 . . . . 67 THR N . 6797 1 858 . 1 1 68 68 GLU H H 1 8.755 0.02 . 1 . . . . 68 GLU HN . 6797 1 859 . 1 1 68 68 GLU HA H 1 4.634 0.02 . 1 . . . . 68 GLU HA . 6797 1 860 . 1 1 68 68 GLU HB2 H 1 1.97 0.02 . 2 . . . . 68 GLU HB1 . 6797 1 861 . 1 1 68 68 GLU HB3 H 1 2.114 0.02 . 2 . . . . 68 GLU HB2 . 6797 1 862 . 1 1 68 68 GLU HG2 H 1 2.293 0.02 . 1 . . . . 68 GLU HG1 . 6797 1 863 . 1 1 68 68 GLU HG3 H 1 2.293 0.02 . 1 . . . . 68 GLU HG2 . 6797 1 864 . 1 1 68 68 GLU C C 13 175.31 0.2 . 1 . . . . 68 GLU C . 6797 1 865 . 1 1 68 68 GLU CA C 13 54.874 0.2 . 1 . . . . 68 GLU CA . 6797 1 866 . 1 1 68 68 GLU CB C 13 31.485 0.2 . 1 . . . . 68 GLU CB . 6797 1 867 . 1 1 68 68 GLU CG C 13 35.932 0.2 . 1 . . . . 68 GLU CG . 6797 1 868 . 1 1 68 68 GLU N N 15 126.071 0.1 . 1 . . . . 68 GLU N . 6797 1 869 . 1 1 69 69 ILE H H 1 8.557 0.02 . 1 . . . . 69 ILE HN . 6797 1 870 . 1 1 69 69 ILE HA H 1 4.697 0.02 . 1 . . . . 69 ILE HA . 6797 1 871 . 1 1 69 69 ILE HB H 1 1.76 0.02 . 1 . . . . 69 ILE HB . 6797 1 872 . 1 1 69 69 ILE HG12 H 1 1.097 0.02 . 1 . . . . 69 ILE HG11 . 6797 1 873 . 1 1 69 69 ILE HG13 H 1 1.56 0.02 . 1 . . . . 69 ILE HG12 . 6797 1 874 . 1 1 69 69 ILE HG21 H 1 0.899 0.02 . 1 . . . . 69 ILE HG21 . 6797 1 875 . 1 1 69 69 ILE HG22 H 1 0.899 0.02 . 1 . . . . 69 ILE HG21 . 6797 1 876 . 1 1 69 69 ILE HG23 H 1 0.899 0.02 . 1 . . . . 69 ILE HG21 . 6797 1 877 . 1 1 69 69 ILE HD11 H 1 0.823 0.02 . 1 . . . . 69 ILE HD11 . 6797 1 878 . 1 1 69 69 ILE HD12 H 1 0.823 0.02 . 1 . . . . 69 ILE HD11 . 6797 1 879 . 1 1 69 69 ILE HD13 H 1 0.823 0.02 . 1 . . . . 69 ILE HD11 . 6797 1 880 . 1 1 69 69 ILE C C 13 176.208 0.2 . 1 . . . . 69 ILE C . 6797 1 881 . 1 1 69 69 ILE CA C 13 60.192 0.2 . 1 . . . . 69 ILE CA . 6797 1 882 . 1 1 69 69 ILE CB C 13 38.977 0.2 . 1 . . . . 69 ILE CB . 6797 1 883 . 1 1 69 69 ILE CG1 C 13 27.269 0.2 . 4 . . . . 69 ILE CG1 . 6797 1 884 . 1 1 69 69 ILE CG2 C 13 17.38 0.2 . 1 . . . . 69 ILE CG2 . 6797 1 885 . 1 1 69 69 ILE CD1 C 13 13.271 0.2 . 1 . . . . 69 ILE CD1 . 6797 1 886 . 1 1 69 69 ILE N N 15 124.746 0.1 . 1 . . . . 69 ILE N . 6797 1 887 . 1 1 70 70 LYS H H 1 9.027 0.02 . 1 . . . . 70 LYS HN . 6797 1 888 . 1 1 70 70 LYS HA H 1 4.68 0.02 . 1 . . . . 70 LYS HA . 6797 1 889 . 1 1 70 70 LYS HB2 H 1 2.054 0.02 . 1 . . . . 70 LYS HB1 . 6797 1 890 . 1 1 70 70 LYS HB3 H 1 2.054 0.02 . 1 . . . . 70 LYS HB2 . 6797 1 891 . 1 1 70 70 LYS HG2 H 1 1.211 0.02 . 2 . . . . 70 LYS HG2 . 6797 1 892 . 1 1 70 70 LYS C C 13 175 0.2 . 1 . . . . 70 LYS C . 6797 1 893 . 1 1 70 70 LYS CA C 13 54.312 0.2 . 1 . . . . 70 LYS CA . 6797 1 894 . 1 1 70 70 LYS CB C 13 34.103 0.2 . 1 . . . . 70 LYS CB . 6797 1 895 . 1 1 70 70 LYS N N 15 128.381 0.1 . 1 . . . . 70 LYS N . 6797 1 896 . 1 1 71 71 ASN H H 1 8.815 0.02 . 1 . . . . 71 ASN HN . 6797 1 897 . 1 1 71 71 ASN HA H 1 5.628 0.02 . 1 . . . . 71 ASN HA . 6797 1 898 . 1 1 71 71 ASN HB2 H 1 2.639 0.02 . 2 . . . . 71 ASN HB1 . 6797 1 899 . 1 1 71 71 ASN HB3 H 1 2.768 0.02 . 2 . . . . 71 ASN HB2 . 6797 1 900 . 1 1 71 71 ASN HD21 H 1 6.919 0.02 . 2 . . . . 71 ASN HD21 . 6797 1 901 . 1 1 71 71 ASN HD22 H 1 7.691 0.02 . 2 . . . . 71 ASN HD22 . 6797 1 902 . 1 1 71 71 ASN C C 13 175.77 0.2 . 1 . . . . 71 ASN C . 6797 1 903 . 1 1 71 71 ASN CA C 13 52.548 0.2 . 1 . . . . 71 ASN CA . 6797 1 904 . 1 1 71 71 ASN CB C 13 41.983 0.2 . 1 . . . . 71 ASN CB . 6797 1 905 . 1 1 71 71 ASN CG C 13 178.351 0.2 . 1 . . . . 71 ASN CG . 6797 1 906 . 1 1 71 71 ASN N N 15 120.589 0.1 . 1 . . . . 71 ASN N . 6797 1 907 . 1 1 71 71 ASN ND2 N 15 114.034 0.1 . 1 . . . . 71 ASN ND2 . 6797 1 908 . 1 1 72 72 PHE H H 1 8.353 0.02 . 1 . . . . 72 PHE HN . 6797 1 909 . 1 1 72 72 PHE HA H 1 4.36 0.02 . 1 . . . . 72 PHE HA . 6797 1 910 . 1 1 72 72 PHE HB2 H 1 3.908 0.02 . 1 . . . . 72 PHE HB1 . 6797 1 911 . 1 1 72 72 PHE HB3 H 1 3.908 0.02 . 1 . . . . 72 PHE HB2 . 6797 1 912 . 1 1 72 72 PHE HD1 H 1 6.771 0.02 . 1 . . . . 72 PHE HD1 . 6797 1 913 . 1 1 72 72 PHE HD2 H 1 6.771 0.02 . 1 . . . . 72 PHE HD2 . 6797 1 914 . 1 1 72 72 PHE HE1 H 1 6.989 0.02 . 1 . . . . 72 PHE HE1 . 6797 1 915 . 1 1 72 72 PHE HE2 H 1 6.989 0.02 . 1 . . . . 72 PHE HE2 . 6797 1 916 . 1 1 72 72 PHE C C 13 173.899 0.2 . 1 . . . . 72 PHE C . 6797 1 917 . 1 1 72 72 PHE CA C 13 56.96 0.2 . 1 . . . . 72 PHE CA . 6797 1 918 . 1 1 72 72 PHE CB C 13 42.741 0.2 . 1 . . . . 72 PHE CB . 6797 1 919 . 1 1 72 72 PHE CE1 C 13 129.431 0.2 . 1 . . . . 72 PHE CE1 . 6797 1 920 . 1 1 72 72 PHE CE2 C 13 129.431 0.2 . 1 . . . . 72 PHE CE2 . 6797 1 921 . 1 1 72 72 PHE N N 15 122.177 0.1 . 1 . . . . 72 PHE N . 6797 1 922 . 1 1 73 73 THR H H 1 8.744 0.02 . 1 . . . . 73 THR HN . 6797 1 923 . 1 1 73 73 THR HA H 1 5.488 0.02 . 1 . . . . 73 THR HA . 6797 1 924 . 1 1 73 73 THR HB H 1 3.308 0.02 . 1 . . . . 73 THR HB . 6797 1 925 . 1 1 73 73 THR HG21 H 1 0.25 0.02 . 1 . . . . 73 THR HG21 . 6797 1 926 . 1 1 73 73 THR HG22 H 1 0.25 0.02 . 1 . . . . 73 THR HG21 . 6797 1 927 . 1 1 73 73 THR HG23 H 1 0.25 0.02 . 1 . . . . 73 THR HG21 . 6797 1 928 . 1 1 73 73 THR C C 13 172.616 0.2 . 1 . . . . 73 THR C . 6797 1 929 . 1 1 73 73 THR CA C 13 60.956 0.2 . 1 . . . . 73 THR CA . 6797 1 930 . 1 1 73 73 THR CB C 13 71.454 0.2 . 1 . . . . 73 THR CB . 6797 1 931 . 1 1 73 73 THR CG2 C 13 22.456 0.2 . 1 . . . . 73 THR CG2 . 6797 1 932 . 1 1 73 73 THR N N 15 125.133 0.1 . 1 . . . . 73 THR N . 6797 1 933 . 1 1 74 74 VAL H H 1 8.841 0.02 . 1 . . . . 74 VAL HN . 6797 1 934 . 1 1 74 74 VAL HA H 1 4.238 0.02 . 1 . . . . 74 VAL HA . 6797 1 935 . 1 1 74 74 VAL HB H 1 1.943 0.02 . 1 . . . . 74 VAL HB . 6797 1 936 . 1 1 74 74 VAL HG11 H 1 0.553 0.02 . 2 . . . . 74 VAL HG11 . 6797 1 937 . 1 1 74 74 VAL HG12 H 1 0.553 0.02 . 2 . . . . 74 VAL HG11 . 6797 1 938 . 1 1 74 74 VAL HG13 H 1 0.553 0.02 . 2 . . . . 74 VAL HG11 . 6797 1 939 . 1 1 74 74 VAL HG21 H 1 1.07 0.02 . 2 . . . . 74 VAL HG21 . 6797 1 940 . 1 1 74 74 VAL HG22 H 1 1.07 0.02 . 2 . . . . 74 VAL HG21 . 6797 1 941 . 1 1 74 74 VAL HG23 H 1 1.07 0.02 . 2 . . . . 74 VAL HG21 . 6797 1 942 . 1 1 74 74 VAL C C 13 173.514 0.2 . 1 . . . . 74 VAL C . 6797 1 943 . 1 1 74 74 VAL CA C 13 60.774 0.2 . 1 . . . . 74 VAL CA . 6797 1 944 . 1 1 74 74 VAL CB C 13 33.784 0.2 . 1 . . . . 74 VAL CB . 6797 1 945 . 1 1 74 74 VAL CG1 C 13 23.006 0.2 . 1 . . . . 74 VAL CG1 . 6797 1 946 . 1 1 74 74 VAL CG2 C 13 22.043 0.2 . 1 . . . . 74 VAL CG2 . 6797 1 947 . 1 1 74 74 VAL N N 15 124.967 0.1 . 1 . . . . 74 VAL N . 6797 1 948 . 1 1 75 75 PHE H H 1 8.676 0.02 . 1 . . . . 75 PHE HN . 6797 1 949 . 1 1 75 75 PHE HA H 1 4.812 0.02 . 1 . . . . 75 PHE HA . 6797 1 950 . 1 1 75 75 PHE HB2 H 1 2.658 0.02 . 2 . . . . 75 PHE HB1 . 6797 1 951 . 1 1 75 75 PHE HB3 H 1 3.071 0.02 . 2 . . . . 75 PHE HB2 . 6797 1 952 . 1 1 75 75 PHE HD1 H 1 7.065 0.02 . 1 . . . . 75 PHE HD1 . 6797 1 953 . 1 1 75 75 PHE HD2 H 1 7.065 0.02 . 1 . . . . 75 PHE HD2 . 6797 1 954 . 1 1 75 75 PHE HE1 H 1 7.165 0.02 . 1 . . . . 75 PHE HE1 . 6797 1 955 . 1 1 75 75 PHE HE2 H 1 7.165 0.02 . 1 . . . . 75 PHE HE2 . 6797 1 956 . 1 1 75 75 PHE C C 13 175.31 0.2 . 1 . . . . 75 PHE C . 6797 1 957 . 1 1 75 75 PHE CA C 13 56.971 0.2 . 1 . . . . 75 PHE CA . 6797 1 958 . 1 1 75 75 PHE CB C 13 40.306 0.2 . 1 . . . . 75 PHE CB . 6797 1 959 . 1 1 75 75 PHE CD1 C 13 130.837 0.2 . 1 . . . . 75 PHE CD1 . 6797 1 960 . 1 1 75 75 PHE CD2 C 13 130.837 0.2 . 1 . . . . 75 PHE CD2 . 6797 1 961 . 1 1 75 75 PHE CE1 C 13 130.368 0.2 . 1 . . . . 75 PHE CE1 . 6797 1 962 . 1 1 75 75 PHE CE2 C 13 130.368 0.2 . 1 . . . . 75 PHE CE2 . 6797 1 963 . 1 1 75 75 PHE N N 15 125.046 0.1 . 1 . . . . 75 PHE N . 6797 1 964 . 1 1 76 76 PHE H H 1 8.848 0.02 . 1 . . . . 76 PHE HN . 6797 1 965 . 1 1 76 76 PHE HA H 1 5.28 0.02 . 1 . . . . 76 PHE HA . 6797 1 966 . 1 1 76 76 PHE HB2 H 1 2.544 0.02 . 2 . . . . 76 PHE HB1 . 6797 1 967 . 1 1 76 76 PHE HB3 H 1 2.708 0.02 . 2 . . . . 76 PHE HB2 . 6797 1 968 . 1 1 76 76 PHE HD1 H 1 6.385 0.02 . 1 . . . . 76 PHE HD1 . 6797 1 969 . 1 1 76 76 PHE HD2 H 1 6.385 0.02 . 1 . . . . 76 PHE HD2 . 6797 1 970 . 1 1 76 76 PHE HE1 H 1 5.78 0.02 . 1 . . . . 76 PHE HE1 . 6797 1 971 . 1 1 76 76 PHE HE2 H 1 5.78 0.02 . 1 . . . . 76 PHE HE2 . 6797 1 972 . 1 1 76 76 PHE C C 13 175.958 0.2 . 1 . . . . 76 PHE C . 6797 1 973 . 1 1 76 76 PHE CA C 13 56.145 0.2 . 1 . . . . 76 PHE CA . 6797 1 974 . 1 1 76 76 PHE CB C 13 41.8 0.2 . 1 . . . . 76 PHE CB . 6797 1 975 . 1 1 76 76 PHE CD1 C 13 129.9 0.2 . 1 . . . . 76 PHE CD1 . 6797 1 976 . 1 1 76 76 PHE CD2 C 13 129.9 0.2 . 1 . . . . 76 PHE CD2 . 6797 1 977 . 1 1 76 76 PHE CE1 C 13 127.322 0.2 . 1 . . . . 76 PHE CE1 . 6797 1 978 . 1 1 76 76 PHE CE2 C 13 127.322 0.2 . 1 . . . . 76 PHE CE2 . 6797 1 979 . 1 1 76 76 PHE N N 15 120.901 0.1 . 1 . . . . 76 PHE N . 6797 1 980 . 1 1 77 77 GLU H H 1 9.109 0.02 . 1 . . . . 77 GLU HN . 6797 1 981 . 1 1 77 77 GLU HA H 1 4.58 0.02 . 1 . . . . 77 GLU HA . 6797 1 982 . 1 1 77 77 GLU HB2 H 1 1.936 0.02 . 1 . . . . 77 GLU HB1 . 6797 1 983 . 1 1 77 77 GLU HB3 H 1 1.936 0.02 . 1 . . . . 77 GLU HB2 . 6797 1 984 . 1 1 77 77 GLU HG2 H 1 2.288 0.02 . 1 . . . . 77 GLU HG1 . 6797 1 985 . 1 1 77 77 GLU HG3 H 1 2.288 0.02 . 1 . . . . 77 GLU HG2 . 6797 1 986 . 1 1 77 77 GLU C C 13 177.566 0.2 . 1 . . . . 77 GLU C . 6797 1 987 . 1 1 77 77 GLU CA C 13 55.84 0.2 . 1 . . . . 77 GLU CA . 6797 1 988 . 1 1 77 77 GLU CB C 13 32.331 0.2 . 1 . . . . 77 GLU CB . 6797 1 989 . 1 1 77 77 GLU CG C 13 36.208 0.2 . 1 . . . . 77 GLU CG . 6797 1 990 . 1 1 77 77 GLU N N 15 120.986 0.1 . 1 . . . . 77 GLU N . 6797 1 991 . 1 1 78 78 ASN H H 1 9.763 0.02 . 1 . . . . 78 ASN HN . 6797 1 992 . 1 1 78 78 ASN HA H 1 4.47 0.02 . 1 . . . . 78 ASN HA . 6797 1 993 . 1 1 78 78 ASN HB2 H 1 2.851 0.02 . 2 . . . . 78 ASN HB1 . 6797 1 994 . 1 1 78 78 ASN HB3 H 1 3.099 0.02 . 2 . . . . 78 ASN HB2 . 6797 1 995 . 1 1 78 78 ASN HD21 H 1 7.668 0.02 . 2 . . . . 78 ASN HD21 . 6797 1 996 . 1 1 78 78 ASN HD22 H 1 7.062 0.02 . 2 . . . . 78 ASN HD22 . 6797 1 997 . 1 1 78 78 ASN C C 13 176.412 0.2 . 1 . . . . 78 ASN C . 6797 1 998 . 1 1 78 78 ASN CA C 13 54.212 0.2 . 1 . . . . 78 ASN CA . 6797 1 999 . 1 1 78 78 ASN CB C 13 36.762 0.2 . 1 . . . . 78 ASN CB . 6797 1 1000 . 1 1 78 78 ASN CG C 13 177.44 0.2 . 1 . . . . 78 ASN CG . 6797 1 1001 . 1 1 78 78 ASN N N 15 127.144 0.1 . 1 . . . . 78 ASN N . 6797 1 1002 . 1 1 78 78 ASN ND2 N 15 113.24 0.1 . 1 . . . . 78 ASN ND2 . 6797 1 1003 . 1 1 79 79 GLU H H 1 7.734 0.02 . 1 . . . . 79 GLU HN . 6797 1 1004 . 1 1 79 79 GLU HA H 1 4.267 0.02 . 1 . . . . 79 GLU HA . 6797 1 1005 . 1 1 79 79 GLU HB2 H 1 2.057 0.02 . 1 . . . . 79 GLU HB1 . 6797 1 1006 . 1 1 79 79 GLU HB3 H 1 2.057 0.02 . 1 . . . . 79 GLU HB2 . 6797 1 1007 . 1 1 79 79 GLU HG2 H 1 2.398 0.02 . 2 . . . . 79 GLU HG1 . 6797 1 1008 . 1 1 79 79 GLU HG3 H 1 2.318 0.02 . 2 . . . . 79 GLU HG2 . 6797 1 1009 . 1 1 79 79 GLU C C 13 175.668 0.2 . 1 . . . . 79 GLU C . 6797 1 1010 . 1 1 79 79 GLU CA C 13 56.276 0.2 . 1 . . . . 79 GLU CA . 6797 1 1011 . 1 1 79 79 GLU CB C 13 26.66 0.2 . 1 . . . . 79 GLU CB . 6797 1 1012 . 1 1 79 79 GLU CG C 13 36.225 0.2 . 1 . . . . 79 GLU CG . 6797 1 1013 . 1 1 79 79 GLU N N 15 124.75 0.1 . 1 . . . . 79 GLU N . 6797 1 1014 . 1 1 80 80 GLN H H 1 7.886 0.02 . 1 . . . . 80 GLN HN . 6797 1 1015 . 1 1 80 80 GLN HA H 1 5.44 0.02 . 1 . . . . 80 GLN HA . 6797 1 1016 . 1 1 80 80 GLN HB2 H 1 1.852 0.02 . 2 . . . . 80 GLN HB1 . 6797 1 1017 . 1 1 80 80 GLN HB3 H 1 2.011 0.02 . 2 . . . . 80 GLN HB2 . 6797 1 1018 . 1 1 80 80 GLN HG2 H 1 2.344 0.02 . 1 . . . . 80 GLN HG1 . 6797 1 1019 . 1 1 80 80 GLN HG3 H 1 2.344 0.02 . 1 . . . . 80 GLN HG2 . 6797 1 1020 . 1 1 80 80 GLN HE21 H 1 6.794 0.02 . 2 . . . . 80 GLN HE21 . 6797 1 1021 . 1 1 80 80 GLN HE22 H 1 7.668 0.02 . 2 . . . . 80 GLN HE22 . 6797 1 1022 . 1 1 80 80 GLN C C 13 176.336 0.2 . 1 . . . . 80 GLN C . 6797 1 1023 . 1 1 80 80 GLN CA C 13 53.126 0.2 . 1 . . . . 80 GLN CA . 6797 1 1024 . 1 1 80 80 GLN CB C 13 33.542 0.2 . 1 . . . . 80 GLN CB . 6797 1 1025 . 1 1 80 80 GLN CG C 13 33.542 0.2 . 1 . . . . 80 GLN CG . 6797 1 1026 . 1 1 80 80 GLN N N 15 117.536 0.1 . 1 . . . . 80 GLN N . 6797 1 1027 . 1 1 80 80 GLN NE2 N 15 113.24 0.1 . 1 . . . . 80 GLN NE2 . 6797 1 1028 . 1 1 81 81 VAL H H 1 9.59 0.02 . 1 . . . . 81 VAL HN . 6797 1 1029 . 1 1 81 81 VAL HA H 1 3.535 0.02 . 1 . . . . 81 VAL HA . 6797 1 1030 . 1 1 81 81 VAL HB H 1 2.247 0.02 . 1 . . . . 81 VAL HB . 6797 1 1031 . 1 1 81 81 VAL HG11 H 1 0.832 0.02 . 2 . . . . 81 VAL HG11 . 6797 1 1032 . 1 1 81 81 VAL HG12 H 1 0.832 0.02 . 2 . . . . 81 VAL HG11 . 6797 1 1033 . 1 1 81 81 VAL HG13 H 1 0.832 0.02 . 2 . . . . 81 VAL HG11 . 6797 1 1034 . 1 1 81 81 VAL HG21 H 1 1.024 0.02 . 2 . . . . 81 VAL HG21 . 6797 1 1035 . 1 1 81 81 VAL HG22 H 1 1.024 0.02 . 2 . . . . 81 VAL HG21 . 6797 1 1036 . 1 1 81 81 VAL HG23 H 1 1.024 0.02 . 2 . . . . 81 VAL HG21 . 6797 1 1037 . 1 1 81 81 VAL C C 13 178.773 0.2 . 1 . . . . 81 VAL C . 6797 1 1038 . 1 1 81 81 VAL CA C 13 63.691 0.2 . 1 . . . . 81 VAL CA . 6797 1 1039 . 1 1 81 81 VAL CB C 13 32.812 0.2 . 1 . . . . 81 VAL CB . 6797 1 1040 . 1 1 81 81 VAL CG1 C 13 24.793 0.2 . 1 . . . . 81 VAL CG1 . 6797 1 1041 . 1 1 81 81 VAL CG2 C 13 23.588 0.2 . 1 . . . . 81 VAL CG2 . 6797 1 1042 . 1 1 81 81 VAL N N 15 123.428 0.1 . 1 . . . . 81 VAL N . 6797 1 1043 . 1 1 82 82 VAL H H 1 9.138 0.02 . 1 . . . . 82 VAL HN . 6797 1 1044 . 1 1 82 82 VAL HA H 1 4.674 0.02 . 1 . . . . 82 VAL HA . 6797 1 1045 . 1 1 82 82 VAL HB H 1 2.048 0.02 . 1 . . . . 82 VAL HB . 6797 1 1046 . 1 1 82 82 VAL HG11 H 1 0.902 0.02 . 2 . . . . 82 VAL HG11 . 6797 1 1047 . 1 1 82 82 VAL HG12 H 1 0.902 0.02 . 2 . . . . 82 VAL HG11 . 6797 1 1048 . 1 1 82 82 VAL HG13 H 1 0.902 0.02 . 2 . . . . 82 VAL HG11 . 6797 1 1049 . 1 1 82 82 VAL HG21 H 1 0.976 0.02 . 2 . . . . 82 VAL HG21 . 6797 1 1050 . 1 1 82 82 VAL HG22 H 1 0.976 0.02 . 2 . . . . 82 VAL HG21 . 6797 1 1051 . 1 1 82 82 VAL HG23 H 1 0.976 0.02 . 2 . . . . 82 VAL HG21 . 6797 1 1052 . 1 1 82 82 VAL C C 13 174.668 0.2 . 1 . . . . 82 VAL C . 6797 1 1053 . 1 1 82 82 VAL CA C 13 61.64 0.2 . 1 . . . . 82 VAL CA . 6797 1 1054 . 1 1 82 82 VAL CB C 13 33.636 0.2 . 1 . . . . 82 VAL CB . 6797 1 1055 . 1 1 82 82 VAL CG1 C 13 20.01 0.2 . 1 . . . . 82 VAL CG1 . 6797 1 1056 . 1 1 82 82 VAL CG2 C 13 21.625 0.2 . 1 . . . . 82 VAL CG2 . 6797 1 1057 . 1 1 82 82 VAL N N 15 123.648 0.1 . 1 . . . . 82 VAL N . 6797 1 1058 . 1 1 83 83 ARG H H 1 7.591 0.02 . 1 . . . . 83 ARG HN . 6797 1 1059 . 1 1 83 83 ARG HA H 1 4.163 0.02 . 1 . . . . 83 ARG HA . 6797 1 1060 . 1 1 83 83 ARG HB2 H 1 1.647 0.02 . 2 . . . . 83 ARG HB1 . 6797 1 1061 . 1 1 83 83 ARG HB3 H 1 1.808 0.02 . 2 . . . . 83 ARG HB2 . 6797 1 1062 . 1 1 83 83 ARG HG2 H 1 1.228 0.02 . 1 . . . . 83 ARG HG1 . 6797 1 1063 . 1 1 83 83 ARG HG3 H 1 1.228 0.02 . 1 . . . . 83 ARG HG2 . 6797 1 1064 . 1 1 83 83 ARG HD2 H 1 2.802 0.02 . 2 . . . . 83 ARG HD1 . 6797 1 1065 . 1 1 83 83 ARG HD3 H 1 2.863 0.02 . 2 . . . . 83 ARG HD2 . 6797 1 1066 . 1 1 83 83 ARG HE H 1 6.846 0.02 . 1 . . . . 83 ARG HE . 6797 1 1067 . 1 1 83 83 ARG C C 13 172.616 0.2 . 1 . . . . 83 ARG C . 6797 1 1068 . 1 1 83 83 ARG CA C 13 54.916 0.2 . 1 . . . . 83 ARG CA . 6797 1 1069 . 1 1 83 83 ARG CB C 13 31.081 0.2 . 1 . . . . 83 ARG CB . 6797 1 1070 . 1 1 83 83 ARG CG C 13 26.032 0.2 . 1 . . . . 83 ARG CG . 6797 1 1071 . 1 1 83 83 ARG CD C 13 41.983 0.2 . 1 . . . . 83 ARG CD . 6797 1 1072 . 1 1 83 83 ARG N N 15 116.685 0.1 . 1 . . . . 83 ARG N . 6797 1 1073 . 1 1 83 83 ARG NE N 15 109.764 0.1 . 1 . . . . 83 ARG NE . 6797 1 1074 . 1 1 84 84 TRP H H 1 7.628 0.02 . 1 . . . . 84 TRP HN . 6797 1 1075 . 1 1 84 84 TRP HA H 1 5.671 0.02 . 1 . . . . 84 TRP HA . 6797 1 1076 . 1 1 84 84 TRP HB2 H 1 2.929 0.02 . 2 . . . . 84 TRP HB1 . 6797 1 1077 . 1 1 84 84 TRP HB3 H 1 3.342 0.02 . 2 . . . . 84 TRP HB2 . 6797 1 1078 . 1 1 84 84 TRP HD1 H 1 7.159 0.02 . 1 . . . . 84 TRP HD1 . 6797 1 1079 . 1 1 84 84 TRP HE1 H 1 10.19 0.02 . 1 . . . . 84 TRP HE1 . 6797 1 1080 . 1 1 84 84 TRP HE3 H 1 6.932 0.02 . 1 . . . . 84 TRP HE3 . 6797 1 1081 . 1 1 84 84 TRP HZ2 H 1 7.47 0.02 . 1 . . . . 84 TRP HZ2 . 6797 1 1082 . 1 1 84 84 TRP HZ3 H 1 6.533 0.02 . 1 . . . . 84 TRP HZ3 . 6797 1 1083 . 1 1 84 84 TRP HH2 H 1 7.029 0.02 . 1 . . . . 84 TRP HH2 . 6797 1 1084 . 1 1 84 84 TRP C C 13 174.283 0.2 . 1 . . . . 84 TRP C . 6797 1 1085 . 1 1 84 84 TRP CA C 13 55.686 0.2 . 1 . . . . 84 TRP CA . 6797 1 1086 . 1 1 84 84 TRP CB C 13 31.015 0.2 . 1 . . . . 84 TRP CB . 6797 1 1087 . 1 1 84 84 TRP CD1 C 13 125.446 0.2 . 1 . . . . 84 TRP CD1 . 6797 1 1088 . 1 1 84 84 TRP CE3 C 13 118.18 0.2 . 1 . . . . 84 TRP CE3 . 6797 1 1089 . 1 1 84 84 TRP CZ2 C 13 113.962 0.2 . 1 . . . . 84 TRP CZ2 . 6797 1 1090 . 1 1 84 84 TRP CZ3 C 13 119.353 0.2 . 1 . . . . 84 TRP CZ3 . 6797 1 1091 . 1 1 84 84 TRP CH2 C 13 122.399 0.2 . 1 . . . . 84 TRP CH2 . 6797 1 1092 . 1 1 84 84 TRP N N 15 118.565 0.1 . 1 . . . . 84 TRP N . 6797 1 1093 . 1 1 84 84 TRP NE1 N 15 130.818 0.1 . 1 . . . . 84 TRP NE1 . 6797 1 1094 . 1 1 85 85 GLU H H 1 8.861 0.02 . 1 . . . . 85 GLU HN . 6797 1 1095 . 1 1 85 85 GLU HA H 1 4.795 0.02 . 1 . . . . 85 GLU HA . 6797 1 1096 . 1 1 85 85 GLU HB2 H 1 1.967 0.02 . 1 . . . . 85 GLU HB1 . 6797 1 1097 . 1 1 85 85 GLU HB3 H 1 1.967 0.02 . 1 . . . . 85 GLU HB2 . 6797 1 1098 . 1 1 85 85 GLU HG2 H 1 2.185 0.02 . 1 . . . . 85 GLU HG1 . 6797 1 1099 . 1 1 85 85 GLU HG3 H 1 2.185 0.02 . 1 . . . . 85 GLU HG2 . 6797 1 1100 . 1 1 85 85 GLU C C 13 173.642 0.2 . 1 . . . . 85 GLU C . 6797 1 1101 . 1 1 85 85 GLU CA C 13 54.553 0.2 . 1 . . . . 85 GLU CA . 6797 1 1102 . 1 1 85 85 GLU CB C 13 32.843 0.2 . 1 . . . . 85 GLU CB . 6797 1 1103 . 1 1 85 85 GLU CG C 13 34.835 0.2 . 1 . . . . 85 GLU CG . 6797 1 1104 . 1 1 85 85 GLU N N 15 118.261 0.1 . 1 . . . . 85 GLU N . 6797 1 1105 . 1 1 86 86 GLY H H 1 8.684 0.02 . 1 . . . . 86 GLY HN . 6797 1 1106 . 1 1 86 86 GLY HA2 H 1 4.026 0.02 . 2 . . . . 86 GLY HA1 . 6797 1 1107 . 1 1 86 86 GLY HA3 H 1 5.203 0.02 . 2 . . . . 86 GLY HA2 . 6797 1 1108 . 1 1 86 86 GLY C C 13 173.718 0.2 . 1 . . . . 86 GLY C . 6797 1 1109 . 1 1 86 86 GLY CA C 13 43.963 0.2 . 1 . . . . 86 GLY CA . 6797 1 1110 . 1 1 86 86 GLY N N 15 109.205 0.1 . 1 . . . . 86 GLY N . 6797 1 1111 . 1 1 87 87 ASP H H 1 8.574 0.02 . 1 . . . . 87 ASP HN . 6797 1 1112 . 1 1 87 87 ASP HA H 1 4.994 0.02 . 1 . . . . 87 ASP HA . 6797 1 1113 . 1 1 87 87 ASP HB2 H 1 2.588 0.02 . 2 . . . . 87 ASP HB1 . 6797 1 1114 . 1 1 87 87 ASP HB3 H 1 2.647 0.02 . 2 . . . . 87 ASP HB2 . 6797 1 1115 . 1 1 87 87 ASP C C 13 173.726 0.2 . 1 . . . . 87 ASP C . 6797 1 1116 . 1 1 87 87 ASP CA C 13 52.696 0.2 . 1 . . . . 87 ASP CA . 6797 1 1117 . 1 1 87 87 ASP CB C 13 42.807 0.2 . 1 . . . . 87 ASP CB . 6797 1 1118 . 1 1 87 87 ASP N N 15 120.39 0.1 . 1 . . . . 87 ASP N . 6797 1 1119 . 1 1 88 88 TYR H H 1 8.939 0.02 . 1 . . . . 88 TYR HN . 6797 1 1120 . 1 1 88 88 TYR HA H 1 5.313 0.02 . 1 . . . . 88 TYR HA . 6797 1 1121 . 1 1 88 88 TYR HB2 H 1 2.961 0.02 . 2 . . . . 88 TYR HB1 . 6797 1 1122 . 1 1 88 88 TYR HB3 H 1 3.283 0.02 . 2 . . . . 88 TYR HB2 . 6797 1 1123 . 1 1 88 88 TYR HD1 H 1 6.902 0.02 . 1 . . . . 88 TYR HD1 . 6797 1 1124 . 1 1 88 88 TYR HD2 H 1 6.902 0.02 . 1 . . . . 88 TYR HD2 . 6797 1 1125 . 1 1 88 88 TYR HE1 H 1 6.51 0.02 . 1 . . . . 88 TYR HE1 . 6797 1 1126 . 1 1 88 88 TYR HE2 H 1 6.51 0.02 . 1 . . . . 88 TYR HE2 . 6797 1 1127 . 1 1 88 88 TYR C C 13 175.449 0.2 . 1 . . . . 88 TYR C . 6797 1 1128 . 1 1 88 88 TYR CA C 13 56.918 0.2 . 1 . . . . 88 TYR CA . 6797 1 1129 . 1 1 88 88 TYR CB C 13 42.809 0.2 . 1 . . . . 88 TYR CB . 6797 1 1130 . 1 1 88 88 TYR CD1 C 13 130.368 0.2 . 1 . . . . 88 TYR CD1 . 6797 1 1131 . 1 1 88 88 TYR CD2 C 13 130.368 0.2 . 1 . . . . 88 TYR CD2 . 6797 1 1132 . 1 1 88 88 TYR CE1 C 13 116.306 0.2 . 1 . . . . 88 TYR CE1 . 6797 1 1133 . 1 1 88 88 TYR CE2 C 13 116.306 0.2 . 1 . . . . 88 TYR CE2 . 6797 1 1134 . 1 1 88 88 TYR N N 15 128.137 0.1 . 1 . . . . 88 TYR N . 6797 1 1135 . 1 1 89 89 PHE H H 1 8.207 0.02 . 1 . . . . 89 PHE HN . 6797 1 1136 . 1 1 89 89 PHE HA H 1 4.297 0.02 . 1 . . . . 89 PHE HA . 6797 1 1137 . 1 1 89 89 PHE HB2 H 1 2.54 0.02 . 2 . . . . 89 PHE HB1 . 6797 1 1138 . 1 1 89 89 PHE HB3 H 1 2.335 0.02 . 2 . . . . 89 PHE HB2 . 6797 1 1139 . 1 1 89 89 PHE HD1 H 1 6.54 0.02 . 1 . . . . 89 PHE HD1 . 6797 1 1140 . 1 1 89 89 PHE HD2 H 1 6.54 0.02 . 1 . . . . 89 PHE HD2 . 6797 1 1141 . 1 1 89 89 PHE CA C 13 55.486 0.2 . 1 . . . . 89 PHE CA . 6797 1 1142 . 1 1 89 89 PHE CB C 13 32.774 0.2 . 1 . . . . 89 PHE CB . 6797 1 1143 . 1 1 89 89 PHE CD1 C 13 131.775 0.2 . 1 . . . . 89 PHE CD1 . 6797 1 1144 . 1 1 89 89 PHE CD2 C 13 131.775 0.2 . 1 . . . . 89 PHE CD2 . 6797 1 1145 . 1 1 89 89 PHE N N 15 124.164 0.1 . 1 . . . . 89 PHE N . 6797 1 1146 . 1 1 90 90 PRO HA H 1 4.637 0.02 . 1 . . . . 90 PRO HA . 6797 1 1147 . 1 1 90 90 PRO HB2 H 1 2.325 0.02 . 1 . . . . 90 PRO HB1 . 6797 1 1148 . 1 1 90 90 PRO HB3 H 1 2.325 0.02 . 1 . . . . 90 PRO HB2 . 6797 1 1149 . 1 1 90 90 PRO HG2 H 1 2.035 0.02 . 1 . . . . 90 PRO HG1 . 6797 1 1150 . 1 1 90 90 PRO HG3 H 1 2.035 0.02 . 1 . . . . 90 PRO HG2 . 6797 1 1151 . 1 1 90 90 PRO HD2 H 1 3.831 0.02 . 2 . . . . 90 PRO HD1 . 6797 1 1152 . 1 1 90 90 PRO HD3 H 1 3.669 0.02 . 2 . . . . 90 PRO HD2 . 6797 1 1153 . 1 1 90 90 PRO C C 13 176.943 0.2 . 1 . . . . 90 PRO C . 6797 1 1154 . 1 1 90 90 PRO CA C 13 61.771 0.2 . 1 . . . . 90 PRO CA . 6797 1 1155 . 1 1 90 90 PRO CB C 13 31.902 0.2 . 1 . . . . 90 PRO CB . 6797 1 1156 . 1 1 90 90 PRO CG C 13 26.885 0.2 . 1 . . . . 90 PRO CG . 6797 1 1157 . 1 1 90 90 PRO CD C 13 50.264 0.2 . 1 . . . . 90 PRO CD . 6797 1 1158 . 1 1 91 91 SER H H 1 8.375 0.02 . 1 . . . . 91 SER HN . 6797 1 1159 . 1 1 91 91 SER HA H 1 4.435 0.02 . 1 . . . . 91 SER HA . 6797 1 1160 . 1 1 91 91 SER HB2 H 1 3.942 0.02 . 1 . . . . 91 SER HB1 . 6797 1 1161 . 1 1 91 91 SER HB3 H 1 3.942 0.02 . 1 . . . . 91 SER HB2 . 6797 1 1162 . 1 1 91 91 SER C C 13 175.541 0.2 . 1 . . . . 91 SER C . 6797 1 1163 . 1 1 91 91 SER CA C 13 57.608 0.2 . 1 . . . . 91 SER CA . 6797 1 1164 . 1 1 91 91 SER CB C 13 63.348 0.2 . 1 . . . . 91 SER CB . 6797 1 1165 . 1 1 91 91 SER N N 15 116.909 0.1 . 1 . . . . 91 SER N . 6797 1 1166 . 1 1 92 92 GLN H H 1 8.625 0.02 . 1 . . . . 92 GLN HN . 6797 1 1167 . 1 1 92 92 GLN HA H 1 4.405 0.02 . 1 . . . . 92 GLN HA . 6797 1 1168 . 1 1 92 92 GLN HB2 H 1 1.998 0.02 . 2 . . . . 92 GLN HB1 . 6797 1 1169 . 1 1 92 92 GLN HB3 H 1 2.17 0.02 . 2 . . . . 92 GLN HB2 . 6797 1 1170 . 1 1 92 92 GLN HG2 H 1 2.371 0.02 . 1 . . . . 92 GLN HG1 . 6797 1 1171 . 1 1 92 92 GLN HG3 H 1 2.371 0.02 . 1 . . . . 92 GLN HG2 . 6797 1 1172 . 1 1 92 92 GLN HE21 H 1 6.878 0.02 . 2 . . . . 92 GLN HE21 . 6797 1 1173 . 1 1 92 92 GLN HE22 H 1 7.529 0.02 . 2 . . . . 92 GLN HE22 . 6797 1 1174 . 1 1 92 92 GLN C C 13 176.079 0.2 . 1 . . . . 92 GLN C . 6797 1 1175 . 1 1 92 92 GLN CA C 13 55.458 0.2 . 1 . . . . 92 GLN CA . 6797 1 1176 . 1 1 92 92 GLN CB C 13 28.941 0.2 . 1 . . . . 92 GLN CB . 6797 1 1177 . 1 1 92 92 GLN CG C 13 33.182 0.2 . 1 . . . . 92 GLN CG . 6797 1 1178 . 1 1 92 92 GLN CD C 13 180.66 0.2 . 1 . . . . 92 GLN CD . 6797 1 1179 . 1 1 92 92 GLN N N 15 123.591 0.1 . 1 . . . . 92 GLN N . 6797 1 1180 . 1 1 92 92 GLN NE2 N 15 112.644 0.1 . 1 . . . . 92 GLN NE2 . 6797 1 1181 . 1 1 93 93 ASP H H 1 8.41 0.02 . 1 . . . . 93 ASP HN . 6797 1 1182 . 1 1 93 93 ASP HA H 1 4.575 0.02 . 1 . . . . 93 ASP HA . 6797 1 1183 . 1 1 93 93 ASP HB2 H 1 2.684 0.02 . 1 . . . . 93 ASP HB1 . 6797 1 1184 . 1 1 93 93 ASP HB3 H 1 2.684 0.02 . 1 . . . . 93 ASP HB2 . 6797 1 1185 . 1 1 93 93 ASP C C 13 177.106 0.2 . 1 . . . . 93 ASP C . 6797 1 1186 . 1 1 93 93 ASP CA C 13 54.212 0.2 . 1 . . . . 93 ASP CA . 6797 1 1187 . 1 1 93 93 ASP CB C 13 40.749 0.2 . 1 . . . . 93 ASP CB . 6797 1 1188 . 1 1 93 93 ASP N N 15 122.251 0.1 . 1 . . . . 93 ASP N . 6797 1 1189 . 1 1 94 94 GLU H H 1 8.468 0.02 . 1 . . . . 94 GLU HN . 6797 1 1190 . 1 1 94 94 GLU HA H 1 4.219 0.02 . 1 . . . . 94 GLU HA . 6797 1 1191 . 1 1 94 94 GLU HB2 H 1 2.057 0.02 . 1 . . . . 94 GLU HB1 . 6797 1 1192 . 1 1 94 94 GLU HB3 H 1 2.057 0.02 . 1 . . . . 94 GLU HB2 . 6797 1 1193 . 1 1 94 94 GLU HG2 H 1 2.295 0.02 . 1 . . . . 94 GLU HG1 . 6797 1 1194 . 1 1 94 94 GLU HG3 H 1 2.295 0.02 . 1 . . . . 94 GLU HG2 . 6797 1 1195 . 1 1 94 94 GLU C C 13 177.362 0.2 . 1 . . . . 94 GLU C . 6797 1 1196 . 1 1 94 94 GLU CA C 13 56.769 0.2 . 1 . . . . 94 GLU CA . 6797 1 1197 . 1 1 94 94 GLU CB C 13 29.301 0.2 . 1 . . . . 94 GLU CB . 6797 1 1198 . 1 1 94 94 GLU CG C 13 35.962 0.2 . 1 . . . . 94 GLU CG . 6797 1 1199 . 1 1 94 94 GLU N N 15 122.949 0.1 . 1 . . . . 94 GLU N . 6797 1 1200 . 1 1 95 95 GLN H H 1 8.409 0.02 . 1 . . . . 95 GLN HN . 6797 1 1201 . 1 1 95 95 GLN HA H 1 4.247 0.02 . 1 . . . . 95 GLN HA . 6797 1 1202 . 1 1 95 95 GLN HB2 H 1 2.12 0.02 . 1 . . . . 95 GLN HB1 . 6797 1 1203 . 1 1 95 95 GLN HB3 H 1 2.12 0.02 . 1 . . . . 95 GLN HB2 . 6797 1 1204 . 1 1 95 95 GLN HG2 H 1 2.434 0.02 . 1 . . . . 95 GLN HG1 . 6797 1 1205 . 1 1 95 95 GLN HG3 H 1 2.434 0.02 . 1 . . . . 95 GLN HG2 . 6797 1 1206 . 1 1 95 95 GLN HE21 H 1 6.838 0.02 . 2 . . . . 95 GLN HE21 . 6797 1 1207 . 1 1 95 95 GLN HE22 H 1 7.5 0.02 . 2 . . . . 95 GLN HE22 . 6797 1 1208 . 1 1 95 95 GLN C C 13 176.977 0.2 . 1 . . . . 95 GLN C . 6797 1 1209 . 1 1 95 95 GLN CA C 13 55.885 0.2 . 1 . . . . 95 GLN CA . 6797 1 1210 . 1 1 95 95 GLN CB C 13 28.414 0.2 . 1 . . . . 95 GLN CB . 6797 1 1211 . 1 1 95 95 GLN CG C 13 33.225 0.2 . 1 . . . . 95 GLN CG . 6797 1 1212 . 1 1 95 95 GLN CD C 13 181.278 0.2 . 1 . . . . 95 GLN CD . 6797 1 1213 . 1 1 95 95 GLN N N 15 121.109 0.1 . 1 . . . . 95 GLN N . 6797 1 1214 . 1 1 95 95 GLN NE2 N 15 112.644 0.1 . 1 . . . . 95 GLN NE2 . 6797 1 1215 . 1 1 96 96 LEU H H 1 8.114 0.02 . 1 . . . . 96 LEU HN . 6797 1 1216 . 1 1 96 96 LEU HA H 1 4.31 0.02 . 1 . . . . 96 LEU HA . 6797 1 1217 . 1 1 96 96 LEU HB2 H 1 1.631 0.02 . 1 . . . . 96 LEU HB1 . 6797 1 1218 . 1 1 96 96 LEU HB3 H 1 1.631 0.02 . 1 . . . . 96 LEU HB2 . 6797 1 1219 . 1 1 96 96 LEU HD11 H 1 0.812 0.02 . 2 . . . . 96 LEU HD11 . 6797 1 1220 . 1 1 96 96 LEU HD12 H 1 0.812 0.02 . 2 . . . . 96 LEU HD11 . 6797 1 1221 . 1 1 96 96 LEU HD13 H 1 0.812 0.02 . 2 . . . . 96 LEU HD11 . 6797 1 1222 . 1 1 96 96 LEU HD21 H 1 0.812 0.02 . 2 . . . . 96 LEU HD21 . 6797 1 1223 . 1 1 96 96 LEU HD22 H 1 0.812 0.02 . 2 . . . . 96 LEU HD21 . 6797 1 1224 . 1 1 96 96 LEU HD23 H 1 0.812 0.02 . 2 . . . . 96 LEU HD21 . 6797 1 1225 . 1 1 96 96 LEU C C 13 177.875 0.2 . 1 . . . . 96 LEU C . 6797 1 1226 . 1 1 96 96 LEU CA C 13 54.976 0.2 . 1 . . . . 96 LEU CA . 6797 1 1227 . 1 1 96 96 LEU CB C 13 41.631 0.2 . 1 . . . . 96 LEU CB . 6797 1 1228 . 1 1 96 96 LEU CD1 C 13 23.31 0.2 . 1 . . . . 96 LEU CD1 . 6797 1 1229 . 1 1 96 96 LEU CD2 C 13 23.31 0.2 . 1 . . . . 96 LEU CD2 . 6797 1 1230 . 1 1 96 96 LEU N N 15 123.026 0.1 . 1 . . . . 96 LEU N . 6797 1 1231 . 1 1 97 97 ALA H H 1 8.125 0.02 . 1 . . . . 97 ALA HN . 6797 1 1232 . 1 1 97 97 ALA HA H 1 4.282 0.02 . 1 . . . . 97 ALA HA . 6797 1 1233 . 1 1 97 97 ALA HB1 H 1 1.433 0.02 . 1 . . . . 97 ALA HB1 . 6797 1 1234 . 1 1 97 97 ALA HB2 H 1 1.433 0.02 . 1 . . . . 97 ALA HB1 . 6797 1 1235 . 1 1 97 97 ALA HB3 H 1 1.433 0.02 . 1 . . . . 97 ALA HB1 . 6797 1 1236 . 1 1 97 97 ALA C C 13 178.26 0.2 . 1 . . . . 97 ALA C . 6797 1 1237 . 1 1 97 97 ALA CA C 13 52.291 0.2 . 1 . . . . 97 ALA CA . 6797 1 1238 . 1 1 97 97 ALA CB C 13 18.426 0.2 . 1 . . . . 97 ALA CB . 6797 1 1239 . 1 1 97 97 ALA N N 15 124.561 0.1 . 1 . . . . 97 ALA N . 6797 1 1240 . 1 1 98 98 LYS H H 1 8.06 0.02 . 1 . . . . 98 LYS HN . 6797 1 1241 . 1 1 98 98 LYS HA H 1 4.27 0.02 . 1 . . . . 98 LYS HA . 6797 1 1242 . 1 1 98 98 LYS HB2 H 1 1.815 0.02 . 1 . . . . 98 LYS HB1 . 6797 1 1243 . 1 1 98 98 LYS HB3 H 1 1.815 0.02 . 1 . . . . 98 LYS HB2 . 6797 1 1244 . 1 1 98 98 LYS HG2 H 1 1.49 0.02 . 1 . . . . 98 LYS HG1 . 6797 1 1245 . 1 1 98 98 LYS HG3 H 1 1.49 0.02 . 1 . . . . 98 LYS HG2 . 6797 1 1246 . 1 1 98 98 LYS HD2 H 1 1.696 0.02 . 1 . . . . 98 LYS HD1 . 6797 1 1247 . 1 1 98 98 LYS HD3 H 1 1.696 0.02 . 1 . . . . 98 LYS HD2 . 6797 1 1248 . 1 1 98 98 LYS HE2 H 1 3.004 0.02 . 1 . . . . 98 LYS HE1 . 6797 1 1249 . 1 1 98 98 LYS HE3 H 1 3.004 0.02 . 1 . . . . 98 LYS HE2 . 6797 1 1250 . 1 1 98 98 LYS C C 13 176.593 0.2 . 1 . . . . 98 LYS C . 6797 1 1251 . 1 1 98 98 LYS CA C 13 55.662 0.2 . 1 . . . . 98 LYS CA . 6797 1 1252 . 1 1 98 98 LYS CB C 13 32.357 0.2 . 1 . . . . 98 LYS CB . 6797 1 1253 . 1 1 98 98 LYS CG C 13 24.245 0.2 . 1 . . . . 98 LYS CG . 6797 1 1254 . 1 1 98 98 LYS CD C 13 28.369 0.2 . 1 . . . . 98 LYS CD . 6797 1 1255 . 1 1 98 98 LYS CE C 13 41.573 0.2 . 1 . . . . 98 LYS CE . 6797 1 1256 . 1 1 98 98 LYS N N 15 120.503 0.1 . 1 . . . . 98 LYS N . 6797 1 1257 . 1 1 99 99 ALA H H 1 8.098 0.02 . 1 . . . . 99 ALA HN . 6797 1 1258 . 1 1 99 99 ALA HA H 1 4.31 0.02 . 1 . . . . 99 ALA HA . 6797 1 1259 . 1 1 99 99 ALA HB1 H 1 1.407 0.02 . 1 . . . . 99 ALA HB1 . 6797 1 1260 . 1 1 99 99 ALA HB2 H 1 1.407 0.02 . 1 . . . . 99 ALA HB1 . 6797 1 1261 . 1 1 99 99 ALA HB3 H 1 1.407 0.02 . 1 . . . . 99 ALA HB1 . 6797 1 1262 . 1 1 99 99 ALA C C 13 177.234 0.2 . 1 . . . . 99 ALA C . 6797 1 1263 . 1 1 99 99 ALA CA C 13 51.447 0.2 . 1 . . . . 99 ALA CA . 6797 1 1264 . 1 1 99 99 ALA CB C 13 18.891 0.2 . 1 . . . . 99 ALA CB . 6797 1 1265 . 1 1 99 99 ALA N N 15 125.368 0.1 . 1 . . . . 99 ALA N . 6797 1 1266 . 1 1 100 100 ALA H H 1 8.21 0.02 . 1 . . . . 100 ALA HN . 6797 1 1267 . 1 1 100 100 ALA HA H 1 4.577 0.02 . 1 . . . . 100 ALA HA . 6797 1 1268 . 1 1 100 100 ALA HB1 H 1 1.376 0.02 . 1 . . . . 100 ALA HB1 . 6797 1 1269 . 1 1 100 100 ALA HB2 H 1 1.376 0.02 . 1 . . . . 100 ALA HB1 . 6797 1 1270 . 1 1 100 100 ALA HB3 H 1 1.376 0.02 . 1 . . . . 100 ALA HB1 . 6797 1 1271 . 1 1 100 100 ALA CA C 13 49.968 0.2 . 1 . . . . 100 ALA CA . 6797 1 1272 . 1 1 100 100 ALA CB C 13 17.456 0.2 . 1 . . . . 100 ALA CB . 6797 1 1273 . 1 1 100 100 ALA N N 15 125.765 0.1 . 1 . . . . 100 ALA N . 6797 1 1274 . 1 1 101 101 PRO HA H 1 4.441 0.02 . 1 . . . . 101 PRO HA . 6797 1 1275 . 1 1 101 101 PRO HB2 H 1 2.315 0.02 . 2 . . . . 101 PRO HB1 . 6797 1 1276 . 1 1 101 101 PRO HB3 H 1 1.903 0.02 . 2 . . . . 101 PRO HB2 . 6797 1 1277 . 1 1 101 101 PRO HG2 H 1 2.025 0.02 . 1 . . . . 101 PRO HG1 . 6797 1 1278 . 1 1 101 101 PRO HG3 H 1 2.025 0.02 . 1 . . . . 101 PRO HG2 . 6797 1 1279 . 1 1 101 101 PRO HD2 H 1 3.815 0.02 . 2 . . . . 101 PRO HD1 . 6797 1 1280 . 1 1 101 101 PRO HD3 H 1 3.647 0.02 . 2 . . . . 101 PRO HD2 . 6797 1 1281 . 1 1 101 101 PRO C C 13 177.31 0.2 . 1 . . . . 101 PRO C . 6797 1 1282 . 1 1 101 101 PRO CA C 13 62.418 0.2 . 1 . . . . 101 PRO CA . 6797 1 1283 . 1 1 101 101 PRO CB C 13 31.588 0.2 . 1 . . . . 101 PRO CB . 6797 1 1284 . 1 1 101 101 PRO CG C 13 27.023 0.2 . 1 . . . . 101 PRO CG . 6797 1 1285 . 1 1 101 101 PRO CD C 13 49.989 0.2 . 1 . . . . 101 PRO CD . 6797 1 1286 . 1 1 102 102 LYS H H 1 8.422 0.02 . 1 . . . . 102 LYS HN . 6797 1 1287 . 1 1 102 102 LYS HA H 1 4.258 0.02 . 1 . . . . 102 LYS HA . 6797 1 1288 . 1 1 102 102 LYS HB2 H 1 1.85 0.02 . 1 . . . . 102 LYS HB1 . 6797 1 1289 . 1 1 102 102 LYS HB3 H 1 1.85 0.02 . 1 . . . . 102 LYS HB2 . 6797 1 1290 . 1 1 102 102 LYS HG2 H 1 1.452 0.02 . 1 . . . . 102 LYS HG1 . 6797 1 1291 . 1 1 102 102 LYS HG3 H 1 1.452 0.02 . 1 . . . . 102 LYS HG2 . 6797 1 1292 . 1 1 102 102 LYS HD2 H 1 1.706 0.02 . 1 . . . . 102 LYS HD1 . 6797 1 1293 . 1 1 102 102 LYS HD3 H 1 1.706 0.02 . 1 . . . . 102 LYS HD2 . 6797 1 1294 . 1 1 102 102 LYS HE2 H 1 2.996 0.02 . 1 . . . . 102 LYS HE1 . 6797 1 1295 . 1 1 102 102 LYS HE3 H 1 2.996 0.02 . 1 . . . . 102 LYS HE2 . 6797 1 1296 . 1 1 102 102 LYS C C 13 176.796 0.2 . 1 . . . . 102 LYS C . 6797 1 1297 . 1 1 102 102 LYS CA C 13 55.698 0.2 . 1 . . . . 102 LYS CA . 6797 1 1298 . 1 1 102 102 LYS CB C 13 32.416 0.2 . 1 . . . . 102 LYS CB . 6797 1 1299 . 1 1 102 102 LYS CG C 13 24.243 0.2 . 1 . . . . 102 LYS CG . 6797 1 1300 . 1 1 102 102 LYS CD C 13 28.232 0.2 . 1 . . . . 102 LYS CD . 6797 1 1301 . 1 1 102 102 LYS CE C 13 41.296 0.2 . 1 . . . . 102 LYS CE . 6797 1 1302 . 1 1 102 102 LYS N N 15 122.377 0.1 . 1 . . . . 102 LYS N . 6797 1 1303 . 1 1 103 103 GLN H H 1 8.403 0.02 . 1 . . . . 103 GLN HN . 6797 1 1304 . 1 1 103 103 GLN HA H 1 4.349 0.02 . 1 . . . . 103 GLN HA . 6797 1 1305 . 1 1 103 103 GLN HB2 H 1 2.006 0.02 . 2 . . . . 103 GLN HB1 . 6797 1 1306 . 1 1 103 103 GLN HB3 H 1 2.113 0.02 . 2 . . . . 103 GLN HB2 . 6797 1 1307 . 1 1 103 103 GLN HG2 H 1 2.384 0.02 . 1 . . . . 103 GLN HG1 . 6797 1 1308 . 1 1 103 103 GLN HG3 H 1 2.384 0.02 . 1 . . . . 103 GLN HG2 . 6797 1 1309 . 1 1 103 103 GLN HE21 H 1 6.961 0.02 . 2 . . . . 103 GLN HE21 . 6797 1 1310 . 1 1 103 103 GLN HE22 H 1 7.626 0.02 . 2 . . . . 103 GLN HE22 . 6797 1 1311 . 1 1 103 103 GLN C C 13 175.823 0.2 . 1 . . . . 103 GLN C . 6797 1 1312 . 1 1 103 103 GLN CA C 13 54.867 0.2 . 1 . . . . 103 GLN CA . 6797 1 1313 . 1 1 103 103 GLN CB C 13 29.064 0.2 . 1 . . . . 103 GLN CB . 6797 1 1314 . 1 1 103 103 GLN CG C 13 33.182 0.2 . 1 . . . . 103 GLN CG . 6797 1 1315 . 1 1 103 103 GLN CD C 13 177.4 0.2 . 1 . . . . 103 GLN CD . 6797 1 1316 . 1 1 103 103 GLN N N 15 122.774 0.1 . 1 . . . . 103 GLN N . 6797 1 1317 . 1 1 103 103 GLN NE2 N 15 113.24 0.1 . 1 . . . . 103 GLN NE2 . 6797 1 1318 . 1 1 104 104 PHE H H 1 8.355 0.02 . 1 . . . . 104 PHE HN . 6797 1 1319 . 1 1 104 104 PHE HA H 1 4.66 0.02 . 1 . . . . 104 PHE HA . 6797 1 1320 . 1 1 104 104 PHE HB2 H 1 3.052 0.02 . 2 . . . . 104 PHE HB1 . 6797 1 1321 . 1 1 104 104 PHE HB3 H 1 3.16 0.02 . 2 . . . . 104 PHE HB2 . 6797 1 1322 . 1 1 104 104 PHE HD1 H 1 7.161 0.02 . 1 . . . . 104 PHE HD1 . 6797 1 1323 . 1 1 104 104 PHE HD2 H 1 7.161 0.02 . 1 . . . . 104 PHE HD2 . 6797 1 1324 . 1 1 104 104 PHE C C 13 176.464 0.2 . 1 . . . . 104 PHE C . 6797 1 1325 . 1 1 104 104 PHE CA C 13 57.159 0.2 . 1 . . . . 104 PHE CA . 6797 1 1326 . 1 1 104 104 PHE CB C 13 38.984 0.2 . 1 . . . . 104 PHE CB . 6797 1 1327 . 1 1 104 104 PHE CD1 C 13 128.493 0.2 . 1 . . . . 104 PHE CD1 . 6797 1 1328 . 1 1 104 104 PHE CD2 C 13 128.493 0.2 . 1 . . . . 104 PHE CD2 . 6797 1 1329 . 1 1 104 104 PHE N N 15 122.334 0.1 . 1 . . . . 104 PHE N . 6797 1 1330 . 1 1 105 105 GLY H H 1 8.419 0.02 . 1 . . . . 105 GLY HN . 6797 1 1331 . 1 1 105 105 GLY HA2 H 1 3.935 0.02 . 1 . . . . 105 GLY HA1 . 6797 1 1332 . 1 1 105 105 GLY HA3 H 1 3.935 0.02 . 1 . . . . 105 GLY HA2 . 6797 1 1333 . 1 1 105 105 GLY C C 13 174.412 0.2 . 1 . . . . 105 GLY C . 6797 1 1334 . 1 1 105 105 GLY CA C 13 44.837 0.2 . 1 . . . . 105 GLY CA . 6797 1 1335 . 1 1 105 105 GLY N N 15 111.358 0.1 . 1 . . . . 105 GLY N . 6797 1 1336 . 1 1 106 106 ARG H H 1 8.228 0.02 . 1 . . . . 106 ARG HN . 6797 1 1337 . 1 1 106 106 ARG HA H 1 4.314 0.02 . 1 . . . . 106 ARG HA . 6797 1 1338 . 1 1 106 106 ARG HB2 H 1 1.846 0.02 . 1 . . . . 106 ARG HB1 . 6797 1 1339 . 1 1 106 106 ARG HB3 H 1 1.846 0.02 . 1 . . . . 106 ARG HB2 . 6797 1 1340 . 1 1 106 106 ARG HG2 H 1 1.643 0.02 . 1 . . . . 106 ARG HG1 . 6797 1 1341 . 1 1 106 106 ARG HG3 H 1 1.643 0.02 . 1 . . . . 106 ARG HG2 . 6797 1 1342 . 1 1 106 106 ARG HD2 H 1 3.205 0.02 . 1 . . . . 106 ARG HD1 . 6797 1 1343 . 1 1 106 106 ARG HD3 H 1 3.205 0.02 . 1 . . . . 106 ARG HD2 . 6797 1 1344 . 1 1 106 106 ARG C C 13 176.336 0.2 . 1 . . . . 106 ARG C . 6797 1 1345 . 1 1 106 106 ARG CA C 13 55.486 0.2 . 1 . . . . 106 ARG CA . 6797 1 1346 . 1 1 106 106 ARG CB C 13 30.146 0.2 . 1 . . . . 106 ARG CB . 6797 1 1347 . 1 1 106 106 ARG CG C 13 26.444 0.2 . 1 . . . . 106 ARG CG . 6797 1 1348 . 1 1 106 106 ARG CD C 13 42.534 0.2 . 1 . . . . 106 ARG CD . 6797 1 1349 . 1 1 106 106 ARG N N 15 121.485 0.1 . 1 . . . . 106 ARG N . 6797 1 1350 . 1 1 107 107 ASN H H 1 8.602 0.02 . 1 . . . . 107 ASN HN . 6797 1 1351 . 1 1 107 107 ASN HA H 1 4.681 0.02 . 1 . . . . 107 ASN HA . 6797 1 1352 . 1 1 107 107 ASN HB2 H 1 2.762 0.02 . 2 . . . . 107 ASN HB1 . 6797 1 1353 . 1 1 107 107 ASN HB3 H 1 2.868 0.02 . 2 . . . . 107 ASN HB2 . 6797 1 1354 . 1 1 107 107 ASN HD21 H 1 6.887 0.02 . 2 . . . . 107 ASN HD21 . 6797 1 1355 . 1 1 107 107 ASN HD22 H 1 7.698 0.02 . 2 . . . . 107 ASN HD22 . 6797 1 1356 . 1 1 107 107 ASN C C 13 175.438 0.2 . 1 . . . . 107 ASN C . 6797 1 1357 . 1 1 107 107 ASN CA C 13 52.727 0.2 . 1 . . . . 107 ASN CA . 6797 1 1358 . 1 1 107 107 ASN CB C 13 38.091 0.2 . 1 . . . . 107 ASN CB . 6797 1 1359 . 1 1 107 107 ASN CG C 13 180.147 0.2 . 1 . . . . 107 ASN CG . 6797 1 1360 . 1 1 107 107 ASN N N 15 120.663 0.1 . 1 . . . . 107 ASN N . 6797 1 1361 . 1 1 107 107 ASN ND2 N 15 112.644 0.1 . 1 . . . . 107 ASN ND2 . 6797 1 1362 . 1 1 108 108 LEU H H 1 8.25 0.02 . 1 . . . . 108 LEU HN . 6797 1 1363 . 1 1 108 108 LEU HA H 1 4.31 0.02 . 1 . . . . 108 LEU HA . 6797 1 1364 . 1 1 108 108 LEU HB2 H 1 1.621 0.02 . 1 . . . . 108 LEU HB1 . 6797 1 1365 . 1 1 108 108 LEU HB3 H 1 1.621 0.02 . 1 . . . . 108 LEU HB2 . 6797 1 1366 . 1 1 108 108 LEU HG H 1 1.576 0.02 . 1 . . . . 108 LEU HG . 6797 1 1367 . 1 1 108 108 LEU HD11 H 1 0.935 0.02 . 2 . . . . 108 LEU HD11 . 6797 1 1368 . 1 1 108 108 LEU HD12 H 1 0.935 0.02 . 2 . . . . 108 LEU HD11 . 6797 1 1369 . 1 1 108 108 LEU HD13 H 1 0.935 0.02 . 2 . . . . 108 LEU HD11 . 6797 1 1370 . 1 1 108 108 LEU HD21 H 1 0.875 0.02 . 2 . . . . 108 LEU HD21 . 6797 1 1371 . 1 1 108 108 LEU HD22 H 1 0.875 0.02 . 2 . . . . 108 LEU HD21 . 6797 1 1372 . 1 1 108 108 LEU HD23 H 1 0.875 0.02 . 2 . . . . 108 LEU HD21 . 6797 1 1373 . 1 1 108 108 LEU C C 13 177.619 0.2 . 1 . . . . 108 LEU C . 6797 1 1374 . 1 1 108 108 LEU CA C 13 54.628 0.2 . 1 . . . . 108 LEU CA . 6797 1 1375 . 1 1 108 108 LEU CB C 13 41.636 0.2 . 1 . . . . 108 LEU CB . 6797 1 1376 . 1 1 108 108 LEU CG C 13 27.161 0.2 . 1 . . . . 108 LEU CG . 6797 1 1377 . 1 1 108 108 LEU CD1 C 13 24.519 0.2 . 1 . . . . 108 LEU CD1 . 6797 1 1378 . 1 1 108 108 LEU CD2 C 13 22.731 0.2 . 1 . . . . 108 LEU CD2 . 6797 1 1379 . 1 1 108 108 LEU N N 15 123.971 0.1 . 1 . . . . 108 LEU N . 6797 1 1380 . 1 1 109 109 ALA H H 1 8.261 0.02 . 1 . . . . 109 ALA HN . 6797 1 1381 . 1 1 109 109 ALA HA H 1 4.309 0.02 . 1 . . . . 109 ALA HA . 6797 1 1382 . 1 1 109 109 ALA HB1 H 1 1.434 0.02 . 1 . . . . 109 ALA HB1 . 6797 1 1383 . 1 1 109 109 ALA HB2 H 1 1.434 0.02 . 1 . . . . 109 ALA HB1 . 6797 1 1384 . 1 1 109 109 ALA HB3 H 1 1.434 0.02 . 1 . . . . 109 ALA HB1 . 6797 1 1385 . 1 1 109 109 ALA C C 13 178.389 0.2 . 1 . . . . 109 ALA C . 6797 1 1386 . 1 1 109 109 ALA CA C 13 52.167 0.2 . 1 . . . . 109 ALA CA . 6797 1 1387 . 1 1 109 109 ALA CB C 13 18.252 0.2 . 1 . . . . 109 ALA CB . 6797 1 1388 . 1 1 109 109 ALA N N 15 125.202 0.1 . 1 . . . . 109 ALA N . 6797 1 1389 . 1 1 110 110 ARG H H 1 8.224 0.02 . 1 . . . . 110 ARG HN . 6797 1 1390 . 1 1 110 110 ARG HA H 1 4.281 0.02 . 1 . . . . 110 ARG HA . 6797 1 1391 . 1 1 110 110 ARG HB2 H 1 1.798 0.02 . 1 . . . . 110 ARG HB1 . 6797 1 1392 . 1 1 110 110 ARG HB3 H 1 1.798 0.02 . 1 . . . . 110 ARG HB2 . 6797 1 1393 . 1 1 110 110 ARG HG2 H 1 1.683 0.02 . 1 . . . . 110 ARG HG1 . 6797 1 1394 . 1 1 110 110 ARG HG3 H 1 1.683 0.02 . 1 . . . . 110 ARG HG2 . 6797 1 1395 . 1 1 110 110 ARG HD2 H 1 3.211 0.02 . 1 . . . . 110 ARG HD1 . 6797 1 1396 . 1 1 110 110 ARG HD3 H 1 3.211 0.02 . 1 . . . . 110 ARG HD2 . 6797 1 1397 . 1 1 110 110 ARG HE H 1 7.353 0.02 . 1 . . . . 110 ARG HE . 6797 1 1398 . 1 1 110 110 ARG C C 13 176.593 0.2 . 1 . . . . 110 ARG C . 6797 1 1399 . 1 1 110 110 ARG CA C 13 55.754 0.2 . 1 . . . . 110 ARG CA . 6797 1 1400 . 1 1 110 110 ARG CB C 13 30.111 0.2 . 1 . . . . 110 ARG CB . 6797 1 1401 . 1 1 110 110 ARG CG C 13 26.444 0.2 . 1 . . . . 110 ARG CG . 6797 1 1402 . 1 1 110 110 ARG CD C 13 42.809 0.2 . 1 . . . . 110 ARG CD . 6797 1 1403 . 1 1 110 110 ARG N N 15 120.791 0.1 . 1 . . . . 110 ARG N . 6797 1 1404 . 1 1 110 110 ARG NE N 15 111.154 0.1 . 1 . . . . 110 ARG NE . 6797 1 1405 . 1 1 111 111 ASP H H 1 8.276 0.02 . 1 . . . . 111 ASP HN . 6797 1 1406 . 1 1 111 111 ASP HA H 1 4.578 0.02 . 1 . . . . 111 ASP HA . 6797 1 1407 . 1 1 111 111 ASP HB2 H 1 2.651 0.02 . 2 . . . . 111 ASP HB1 . 6797 1 1408 . 1 1 111 111 ASP HB3 H 1 2.723 0.02 . 2 . . . . 111 ASP HB2 . 6797 1 1409 . 1 1 111 111 ASP C C 13 176.738 0.2 . 1 . . . . 111 ASP C . 6797 1 1410 . 1 1 111 111 ASP CA C 13 53.788 0.2 . 1 . . . . 111 ASP CA . 6797 1 1411 . 1 1 111 111 ASP CB C 13 40.74 0.2 . 1 . . . . 111 ASP CB . 6797 1 1412 . 1 1 111 111 ASP N N 15 121.782 0.1 . 1 . . . . 111 ASP N . 6797 1 1413 . 1 1 112 112 LYS H H 1 8.251 0.02 . 1 . . . . 112 LYS HN . 6797 1 1414 . 1 1 112 112 LYS HA H 1 4.31 0.02 . 1 . . . . 112 LYS HA . 6797 1 1415 . 1 1 112 112 LYS HB2 H 1 1.808 0.02 . 1 . . . . 112 LYS HB1 . 6797 1 1416 . 1 1 112 112 LYS HB3 H 1 1.808 0.02 . 1 . . . . 112 LYS HB2 . 6797 1 1417 . 1 1 112 112 LYS HG2 H 1 1.433 0.02 . 1 . . . . 112 LYS HG1 . 6797 1 1418 . 1 1 112 112 LYS HG3 H 1 1.433 0.02 . 1 . . . . 112 LYS HG2 . 6797 1 1419 . 1 1 112 112 LYS HD2 H 1 1.708 0.02 . 1 . . . . 112 LYS HD1 . 6797 1 1420 . 1 1 112 112 LYS HD3 H 1 1.708 0.02 . 1 . . . . 112 LYS HD2 . 6797 1 1421 . 1 1 112 112 LYS HE2 H 1 3.03 0.2 . 1 . . . . 112 LYS HE1 . 6797 1 1422 . 1 1 112 112 LYS HE3 H 1 3.03 0.02 . 1 . . . . 112 LYS HE2 . 6797 1 1423 . 1 1 112 112 LYS C C 13 176.751 0.2 . 1 . . . . 112 LYS C . 6797 1 1424 . 1 1 112 112 LYS CA C 13 55.925 0.2 . 1 . . . . 112 LYS CA . 6797 1 1425 . 1 1 112 112 LYS CB C 13 32.416 0.2 . 1 . . . . 112 LYS CB . 6797 1 1426 . 1 1 112 112 LYS CG C 13 24.199 0.2 . 1 . . . . 112 LYS CG . 6797 1 1427 . 1 1 112 112 LYS CD C 13 28.337 0.2 . 1 . . . . 112 LYS CD . 6797 1 1428 . 1 1 112 112 LYS CE C 13 41.227 0.2 . 1 . . . . 112 LYS CE . 6797 1 1429 . 1 1 112 112 LYS N N 15 123.077 0.1 . 1 . . . . 112 LYS N . 6797 1 1430 . 1 1 113 113 LYS H H 1 8.249 0.02 . 1 . . . . 113 LYS HN . 6797 1 1431 . 1 1 113 113 LYS HA H 1 4.31 0.02 . 1 . . . . 113 LYS HA . 6797 1 1432 . 1 1 113 113 LYS HB2 H 1 1.804 0.02 . 1 . . . . 113 LYS HB1 . 6797 1 1433 . 1 1 113 113 LYS HB3 H 1 1.804 0.02 . 1 . . . . 113 LYS HB2 . 6797 1 1434 . 1 1 113 113 LYS HG2 H 1 1.435 0.02 . 1 . . . . 113 LYS HG1 . 6797 1 1435 . 1 1 113 113 LYS HG3 H 1 1.435 0.02 . 1 . . . . 113 LYS HG2 . 6797 1 1436 . 1 1 113 113 LYS HD2 H 1 1.708 0.02 . 1 . . . . 113 LYS HD1 . 6797 1 1437 . 1 1 113 113 LYS HD3 H 1 1.708 0.02 . 1 . . . . 113 LYS HD2 . 6797 1 1438 . 1 1 113 113 LYS HE2 H 1 3.003 0.2 . 1 . . . . 113 LYS HE1 . 6797 1 1439 . 1 1 113 113 LYS HE3 H 1 3.003 0.02 . 1 . . . . 113 LYS HE2 . 6797 1 1440 . 1 1 113 113 LYS C C 13 177.234 0.2 . 1 . . . . 113 LYS C . 6797 1 1441 . 1 1 113 113 LYS CA C 13 55.948 0.2 . 1 . . . . 113 LYS CA . 6797 1 1442 . 1 1 113 113 LYS CB C 13 32.318 0.2 . 1 . . . . 113 LYS CB . 6797 1 1443 . 1 1 113 113 LYS CG C 13 24.24 0.2 . 1 . . . . 113 LYS CG . 6797 1 1444 . 1 1 113 113 LYS CD C 13 28.337 0.2 . 1 . . . . 113 LYS CD . 6797 1 1445 . 1 1 113 113 LYS CE C 13 41.227 0.2 . 1 . . . . 113 LYS CE . 6797 1 1446 . 1 1 113 113 LYS N N 15 123.016 0.1 . 1 . . . . 113 LYS N . 6797 1 1447 . 1 1 114 114 LYS H H 1 8.281 0.02 . 1 . . . . 114 LYS HN . 6797 1 1448 . 1 1 114 114 LYS HA H 1 4.247 0.02 . 1 . . . . 114 LYS HA . 6797 1 1449 . 1 1 114 114 LYS HB2 H 1 1.815 0.02 . 1 . . . . 114 LYS HB1 . 6797 1 1450 . 1 1 114 114 LYS HB3 H 1 1.815 0.02 . 1 . . . . 114 LYS HB2 . 6797 1 1451 . 1 1 114 114 LYS HG2 H 1 1.471 0.02 . 1 . . . . 114 LYS HG1 . 6797 1 1452 . 1 1 114 114 LYS HG3 H 1 1.471 0.02 . 1 . . . . 114 LYS HG2 . 6797 1 1453 . 1 1 114 114 LYS HD2 H 1 1.708 0.02 . 1 . . . . 114 LYS HD1 . 6797 1 1454 . 1 1 114 114 LYS HD3 H 1 1.708 0.02 . 1 . . . . 114 LYS HD2 . 6797 1 1455 . 1 1 114 114 LYS HE2 H 1 3.003 0.02 . 1 . . . . 114 LYS HE1 . 6797 1 1456 . 1 1 114 114 LYS HE3 H 1 3.003 0.02 . 1 . . . . 114 LYS HE2 . 6797 1 1457 . 1 1 114 114 LYS C C 13 176.849 0.2 . 1 . . . . 114 LYS C . 6797 1 1458 . 1 1 114 114 LYS CA C 13 55.809 0.2 . 1 . . . . 114 LYS CA . 6797 1 1459 . 1 1 114 114 LYS CB C 13 32.317 0.2 . 1 . . . . 114 LYS CB . 6797 1 1460 . 1 1 114 114 LYS CG C 13 24.223 0.2 . 1 . . . . 114 LYS CG . 6797 1 1461 . 1 1 114 114 LYS CD C 13 28.337 0.2 . 1 . . . . 114 LYS CD . 6797 1 1462 . 1 1 114 114 LYS CE C 13 41.227 0.2 . 1 . . . . 114 LYS CE . 6797 1 1463 . 1 1 114 114 LYS N N 15 122.505 0.1 . 1 . . . . 114 LYS N . 6797 1 1464 . 1 1 115 115 GLN H H 1 8.32 0.02 . 1 . . . . 115 GLN HN . 6797 1 1465 . 1 1 115 115 GLN HA H 1 4.316 0.02 . 1 . . . . 115 GLN HA . 6797 1 1466 . 1 1 115 115 GLN HB2 H 1 1.907 0.02 . 1 . . . . 115 GLN HB1 . 6797 1 1467 . 1 1 115 115 GLN HB3 H 1 1.907 0.02 . 1 . . . . 115 GLN HB2 . 6797 1 1468 . 1 1 115 115 GLN HG2 H 1 2.249 0.02 . 1 . . . . 115 GLN HG1 . 6797 1 1469 . 1 1 115 115 GLN HG3 H 1 2.249 0.02 . 1 . . . . 115 GLN HG2 . 6797 1 1470 . 1 1 115 115 GLN HE21 H 1 6.73 0.02 . 2 . . . . 115 GLN HE21 . 6797 1 1471 . 1 1 115 115 GLN HE22 H 1 7.216 0.02 . 2 . . . . 115 GLN HE22 . 6797 1 1472 . 1 1 115 115 GLN C C 13 176.208 0.2 . 1 . . . . 115 GLN C . 6797 1 1473 . 1 1 115 115 GLN CA C 13 54.912 0.2 . 1 . . . . 115 GLN CA . 6797 1 1474 . 1 1 115 115 GLN CB C 13 29.011 0.2 . 1 . . . . 115 GLN CB . 6797 1 1475 . 1 1 115 115 GLN CG C 13 32.907 0.02 . 1 . . . . 115 GLN CG . 6797 1 1476 . 1 1 115 115 GLN N N 15 121.797 0.1 . 1 . . . . 115 GLN N . 6797 1 1477 . 1 1 115 115 GLN NE2 N 15 112.644 0.1 . 1 . . . . 115 GLN NE2 . 6797 1 1478 . 1 1 116 116 ARG H H 1 8.485 0.02 . 1 . . . . 116 ARG HN . 6797 1 1479 . 1 1 116 116 ARG HA H 1 4.372 0.02 . 1 . . . . 116 ARG HA . 6797 1 1480 . 1 1 116 116 ARG HB2 H 1 1.871 0.02 . 1 . . . . 116 ARG HB1 . 6797 1 1481 . 1 1 116 116 ARG HB3 H 1 1.871 0.02 . 1 . . . . 116 ARG HB2 . 6797 1 1482 . 1 1 116 116 ARG HG2 H 1 1.641 0.02 . 1 . . . . 116 ARG HG1 . 6797 1 1483 . 1 1 116 116 ARG HG3 H 1 1.641 0.02 . 1 . . . . 116 ARG HG2 . 6797 1 1484 . 1 1 116 116 ARG HD2 H 1 3.227 0.02 . 1 . . . . 116 ARG HD1 . 6797 1 1485 . 1 1 116 116 ARG HD3 H 1 3.227 0.02 . 1 . . . . 116 ARG HD2 . 6797 1 1486 . 1 1 116 116 ARG C C 13 175.438 0.2 . 1 . . . . 116 ARG C . 6797 1 1487 . 1 1 116 116 ARG CA C 13 55.706 0.2 . 1 . . . . 116 ARG CA . 6797 1 1488 . 1 1 116 116 ARG CB C 13 30.345 0.2 . 1 . . . . 116 ARG CB . 6797 1 1489 . 1 1 116 116 ARG CG C 13 26.489 0.2 . 1 . . . . 116 ARG CG . 6797 1 1490 . 1 1 116 116 ARG CD C 13 42.86 0.2 . 1 . . . . 116 ARG CD . 6797 1 1491 . 1 1 116 116 ARG N N 15 123.593 0.1 . 1 . . . . 116 ARG N . 6797 1 1492 . 1 1 117 117 GLY H H 1 8.529 0.02 . 1 . . . . 117 GLY HN . 6797 1 1493 . 1 1 117 117 GLY HA2 H 1 3.961 0.2 . 1 . . . . 117 GLY HA1 . 6797 1 1494 . 1 1 117 117 GLY HA3 H 1 3.961 0.02 . 1 . . . . 117 GLY HA2 . 6797 1 1495 . 1 1 117 117 GLY C C 13 173.385 0.2 . 1 . . . . 117 GLY C . 6797 1 1496 . 1 1 117 117 GLY CA C 13 44.698 0.2 . 1 . . . . 117 GLY CA . 6797 1 1497 . 1 1 117 117 GLY N N 15 111.837 0.1 . 1 . . . . 117 GLY N . 6797 1 1498 . 1 1 118 118 ARG H H 1 7.89 0.02 . 1 . . . . 118 ARG HN . 6797 1 1499 . 1 1 118 118 ARG HA H 1 4.211 0.02 . 1 . . . . 118 ARG HA . 6797 1 1500 . 1 1 118 118 ARG HB2 H 1 1.848 0.02 . 2 . . . . 118 ARG HB1 . 6797 1 1501 . 1 1 118 118 ARG HB3 H 1 1.719 0.02 . 2 . . . . 118 ARG HB2 . 6797 1 1502 . 1 1 118 118 ARG HG2 H 1 1.602 0.02 . 1 . . . . 118 ARG HG1 . 6797 1 1503 . 1 1 118 118 ARG HG3 H 1 1.602 0.02 . 1 . . . . 118 ARG HG2 . 6797 1 1504 . 1 1 118 118 ARG HD2 H 1 3.209 0.02 . 1 . . . . 118 ARG HD1 . 6797 1 1505 . 1 1 118 118 ARG HD3 H 1 3.209 0.02 . 1 . . . . 118 ARG HD2 . 6797 1 1506 . 1 1 118 118 ARG HE H 1 7.274 0.02 . 1 . . . . 118 ARG HE . 6797 1 1507 . 1 1 118 118 ARG CA C 13 56.61 0.2 . 1 . . . . 118 ARG CA . 6797 1 1508 . 1 1 118 118 ARG CB C 13 30.776 0.2 . 1 . . . . 118 ARG CB . 6797 1 1509 . 1 1 118 118 ARG CG C 13 26.565 0.2 . 1 . . . . 118 ARG CG . 6797 1 1510 . 1 1 118 118 ARG CD C 13 42.636 0.2 . 1 . . . . 118 ARG CD . 6797 1 1511 . 1 1 118 118 ARG N N 15 126.468 0.1 . 1 . . . . 118 ARG N . 6797 1 1512 . 1 1 118 118 ARG NE N 15 111.154 0.1 . 1 . . . . 118 ARG NE . 6797 1 stop_ loop_ _Ambiguous_atom_chem_shift.Ambiguous_shift_set_ID _Ambiguous_atom_chem_shift.Atom_chem_shift_ID _Ambiguous_atom_chem_shift.Entry_ID _Ambiguous_atom_chem_shift.Assigned_chem_shift_list_ID 1 57 6797 1 2 75 6797 1 3 145 6797 1 4 230 6797 1 5 883 6797 1 stop_ save_