data_17319 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17319 _Entry.Title ; NMR solution structure of the protein NP_253742.1 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2010-11-23 _Entry.Accession_date 2010-11-23 _Entry.Last_release_date 2010-12-16 _Entry.Original_release_date 2010-12-16 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _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 Biswaranjan Mohanty . . . 17319 2 Pedro Serrano . . . 17319 3 Michael Geralt . . . 17319 4 Reto Horst . . . 17319 5 Kurt Wuthrich . . . 17319 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 17319 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID DUF971 . 17319 NP_253742.1 . 17319 PC06155B . 17319 'PSEUDOMONAS AERUGINOSA' . 17319 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17319 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 479 17319 '15N chemical shifts' 126 17319 '1H chemical shifts' 818 17319 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2010-12-16 2010-11-23 original author . 17319 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2L6P 'BMRB Entry Tracking System' 17319 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 17319 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR solution structure of the protein NP_253742.1' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Biswaranjan Mohanty . . . 17319 1 2 Pedro Serrano . . . 17319 1 3 Michael Geralt . . . 17319 1 4 Reto Horst . . . 17319 1 5 Kurt Wuthrich . . . 17319 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17319 _Assembly.ID 1 _Assembly.Name NP_253742.1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NP_253742.1 1 $NP_253742.1 A . yes native no no . . . 17319 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NP_253742.1 _Entity.Sf_category entity _Entity.Sf_framecode NP_253742.1 _Entity.Entry_ID 17319 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NP_253742.1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GMRIPSAIQLHKASKTLTLR YGEDSYDLPAEFLRVHSPSA EVQGHGNPVLQYGKLNVGLV GVEPAGQYALKLSFDDGHDS GLFTWDYLYELATRKDQLWA DYLAELASAGKSRDPDESVV KLML ; _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 124 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13726.535 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date 2015-11-25 loop_ _Entity_db_link.Ordinal _Entity_db_link.Author_supplied _Entity_db_link.Database_code _Entity_db_link.Accession_code _Entity_db_link.Entry_mol_code _Entity_db_link.Entry_mol_name _Entity_db_link.Entry_experimental_method _Entity_db_link.Entry_structure_resolution _Entity_db_link.Entry_relation_type _Entity_db_link.Entry_details _Entity_db_link.Chimera_segment_ID _Entity_db_link.Seq_query_to_submitted_percent _Entity_db_link.Seq_subject_length _Entity_db_link.Seq_identity _Entity_db_link.Seq_positive _Entity_db_link.Seq_homology_expectation_val _Entity_db_link.Seq_align_begin _Entity_db_link.Seq_align_end _Entity_db_link.Seq_difference_details _Entity_db_link.Seq_alignment_details _Entity_db_link.Entry_ID _Entity_db_link.Entity_ID 1 no PDB 2L6P . "Nmr Solution Structure Of The Protein Np_253742.1" . . . . . 100.00 124 100.00 100.00 1.03e-83 . . . . 17319 1 2 no DBJ BAK87347 . "hypothetical protein NCGM2_0457 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 3 no DBJ BAP24871 . "hypothetical protein NCGM1900_5810 [Pseudomonas aeruginosa]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 4 no DBJ BAP53641 . "hypothetical protein NCGM1984_5708 [Pseudomonas aeruginosa]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 5 no DBJ BAQ42904 . "hypothetical protein PA257_6346 [Pseudomonas aeruginosa]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 6 no DBJ BAR70520 . "hypothetical protein PA8380_57290 [Pseudomonas aeruginosa]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 7 no EMBL CAA47150 . "unnamed protein product [Pseudomonas aeruginosa PAO1]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 8 no EMBL CAW30199 . "hypothetical protein PLES_54451 [Pseudomonas aeruginosa LESB58]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 9 no EMBL CCQ86077 . "COG3536: Uncharacterized protein conserved in bacteria [Pseudomonas aeruginosa 18A]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 10 no EMBL CDH73800 . "hypothetical protein P38_5626 [Pseudomonas aeruginosa MH38]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 11 no EMBL CDH80121 . "hypothetical protein PAMH27_5773 [Pseudomonas aeruginosa MH27]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 12 no GB AAG08440 . "hypothetical protein PA5055 [Pseudomonas aeruginosa PAO1]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 13 no GB AAT49749 . "PA5055, partial [synthetic construct]" . . . . . 99.19 124 100.00 100.00 7.25e-83 . . . . 17319 1 14 no GB ABJ14439 . "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 15 no GB AEO77648 . "hypothetical protein PAM18_5170 [Pseudomonas aeruginosa M18]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 16 no GB AFM67617 . "hypothetical protein PADK2_26770 [Pseudomonas aeruginosa DK2]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 17 no REF NP_253742 . "hypothetical protein PA5055 [Pseudomonas aeruginosa PAO1]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 18 no REF WP_003095857 . "MULTISPECIES: hypothetical protein [Pseudomonas]" . . . . . 99.19 123 100.00 100.00 4.90e-83 . . . . 17319 1 19 no REF WP_003121209 . "1-(5-phosphoribosyl)-5-((5-phosphoribosylamino)methylideneamino)imidazole-4-carboxamide isomerase [Pseudomonas aeruginosa]" . . . . . 99.19 123 99.19 99.19 2.78e-82 . . . . 17319 1 20 no REF WP_003125656 . "hypothetical protein, partial [Pseudomonas aeruginosa]" . . . . . 92.74 115 98.26 99.13 4.06e-76 . . . . 17319 1 21 no REF WP_003135779 . "MULTISPECIES: hypothetical protein [Pseudomonas]" . . . . . 99.19 123 98.37 99.19 7.34e-82 . . . . 17319 1 stop_ loop_ _Entity_biological_function.Biological_function _Entity_biological_function.Entry_ID _Entity_biological_function.Entity_ID DUF971 17319 1 'unknown function' 17319 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 . GLY . 17319 1 2 . MET . 17319 1 3 . ARG . 17319 1 4 . ILE . 17319 1 5 . PRO . 17319 1 6 . SER . 17319 1 7 . ALA . 17319 1 8 . ILE . 17319 1 9 . GLN . 17319 1 10 . LEU . 17319 1 11 . HIS . 17319 1 12 . LYS . 17319 1 13 . ALA . 17319 1 14 . SER . 17319 1 15 . LYS . 17319 1 16 . THR . 17319 1 17 . LEU . 17319 1 18 . THR . 17319 1 19 . LEU . 17319 1 20 . ARG . 17319 1 21 . TYR . 17319 1 22 . GLY . 17319 1 23 . GLU . 17319 1 24 . ASP . 17319 1 25 . SER . 17319 1 26 . TYR . 17319 1 27 . ASP . 17319 1 28 . LEU . 17319 1 29 . PRO . 17319 1 30 . ALA . 17319 1 31 . GLU . 17319 1 32 . PHE . 17319 1 33 . LEU . 17319 1 34 . ARG . 17319 1 35 . VAL . 17319 1 36 . HIS . 17319 1 37 . SER . 17319 1 38 . PRO . 17319 1 39 . SER . 17319 1 40 . ALA . 17319 1 41 . GLU . 17319 1 42 . VAL . 17319 1 43 . GLN . 17319 1 44 . GLY . 17319 1 45 . HIS . 17319 1 46 . GLY . 17319 1 47 . ASN . 17319 1 48 . PRO . 17319 1 49 . VAL . 17319 1 50 . LEU . 17319 1 51 . GLN . 17319 1 52 . TYR . 17319 1 53 . GLY . 17319 1 54 . LYS . 17319 1 55 . LEU . 17319 1 56 . ASN . 17319 1 57 . VAL . 17319 1 58 . GLY . 17319 1 59 . LEU . 17319 1 60 . VAL . 17319 1 61 . GLY . 17319 1 62 . VAL . 17319 1 63 . GLU . 17319 1 64 . PRO . 17319 1 65 . ALA . 17319 1 66 . GLY . 17319 1 67 . GLN . 17319 1 68 . TYR . 17319 1 69 . ALA . 17319 1 70 . LEU . 17319 1 71 . LYS . 17319 1 72 . LEU . 17319 1 73 . SER . 17319 1 74 . PHE . 17319 1 75 . ASP . 17319 1 76 . ASP . 17319 1 77 . GLY . 17319 1 78 . HIS . 17319 1 79 . ASP . 17319 1 80 . SER . 17319 1 81 . GLY . 17319 1 82 . LEU . 17319 1 83 . PHE . 17319 1 84 . THR . 17319 1 85 . TRP . 17319 1 86 . ASP . 17319 1 87 . TYR . 17319 1 88 . LEU . 17319 1 89 . TYR . 17319 1 90 . GLU . 17319 1 91 . LEU . 17319 1 92 . ALA . 17319 1 93 . THR . 17319 1 94 . ARG . 17319 1 95 . LYS . 17319 1 96 . ASP . 17319 1 97 . GLN . 17319 1 98 . LEU . 17319 1 99 . TRP . 17319 1 100 . ALA . 17319 1 101 . ASP . 17319 1 102 . TYR . 17319 1 103 . LEU . 17319 1 104 . ALA . 17319 1 105 . GLU . 17319 1 106 . LEU . 17319 1 107 . ALA . 17319 1 108 . SER . 17319 1 109 . ALA . 17319 1 110 . GLY . 17319 1 111 . LYS . 17319 1 112 . SER . 17319 1 113 . ARG . 17319 1 114 . ASP . 17319 1 115 . PRO . 17319 1 116 . ASP . 17319 1 117 . GLU . 17319 1 118 . SER . 17319 1 119 . VAL . 17319 1 120 . VAL . 17319 1 121 . LYS . 17319 1 122 . LEU . 17319 1 123 . MET . 17319 1 124 . LEU . 17319 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 . GLY 1 1 17319 1 . MET 2 2 17319 1 . ARG 3 3 17319 1 . ILE 4 4 17319 1 . PRO 5 5 17319 1 . SER 6 6 17319 1 . ALA 7 7 17319 1 . ILE 8 8 17319 1 . GLN 9 9 17319 1 . LEU 10 10 17319 1 . HIS 11 11 17319 1 . LYS 12 12 17319 1 . ALA 13 13 17319 1 . SER 14 14 17319 1 . LYS 15 15 17319 1 . THR 16 16 17319 1 . LEU 17 17 17319 1 . THR 18 18 17319 1 . LEU 19 19 17319 1 . ARG 20 20 17319 1 . TYR 21 21 17319 1 . GLY 22 22 17319 1 . GLU 23 23 17319 1 . ASP 24 24 17319 1 . SER 25 25 17319 1 . TYR 26 26 17319 1 . ASP 27 27 17319 1 . LEU 28 28 17319 1 . PRO 29 29 17319 1 . ALA 30 30 17319 1 . GLU 31 31 17319 1 . PHE 32 32 17319 1 . LEU 33 33 17319 1 . ARG 34 34 17319 1 . VAL 35 35 17319 1 . HIS 36 36 17319 1 . SER 37 37 17319 1 . PRO 38 38 17319 1 . SER 39 39 17319 1 . ALA 40 40 17319 1 . GLU 41 41 17319 1 . VAL 42 42 17319 1 . GLN 43 43 17319 1 . GLY 44 44 17319 1 . HIS 45 45 17319 1 . GLY 46 46 17319 1 . ASN 47 47 17319 1 . PRO 48 48 17319 1 . VAL 49 49 17319 1 . LEU 50 50 17319 1 . GLN 51 51 17319 1 . TYR 52 52 17319 1 . GLY 53 53 17319 1 . LYS 54 54 17319 1 . LEU 55 55 17319 1 . ASN 56 56 17319 1 . VAL 57 57 17319 1 . GLY 58 58 17319 1 . LEU 59 59 17319 1 . VAL 60 60 17319 1 . GLY 61 61 17319 1 . VAL 62 62 17319 1 . GLU 63 63 17319 1 . PRO 64 64 17319 1 . ALA 65 65 17319 1 . GLY 66 66 17319 1 . GLN 67 67 17319 1 . TYR 68 68 17319 1 . ALA 69 69 17319 1 . LEU 70 70 17319 1 . LYS 71 71 17319 1 . LEU 72 72 17319 1 . SER 73 73 17319 1 . PHE 74 74 17319 1 . ASP 75 75 17319 1 . ASP 76 76 17319 1 . GLY 77 77 17319 1 . HIS 78 78 17319 1 . ASP 79 79 17319 1 . SER 80 80 17319 1 . GLY 81 81 17319 1 . LEU 82 82 17319 1 . PHE 83 83 17319 1 . THR 84 84 17319 1 . TRP 85 85 17319 1 . ASP 86 86 17319 1 . TYR 87 87 17319 1 . LEU 88 88 17319 1 . TYR 89 89 17319 1 . GLU 90 90 17319 1 . LEU 91 91 17319 1 . ALA 92 92 17319 1 . THR 93 93 17319 1 . ARG 94 94 17319 1 . LYS 95 95 17319 1 . ASP 96 96 17319 1 . GLN 97 97 17319 1 . LEU 98 98 17319 1 . TRP 99 99 17319 1 . ALA 100 100 17319 1 . ASP 101 101 17319 1 . TYR 102 102 17319 1 . LEU 103 103 17319 1 . ALA 104 104 17319 1 . GLU 105 105 17319 1 . LEU 106 106 17319 1 . ALA 107 107 17319 1 . SER 108 108 17319 1 . ALA 109 109 17319 1 . GLY 110 110 17319 1 . LYS 111 111 17319 1 . SER 112 112 17319 1 . ARG 113 113 17319 1 . ASP 114 114 17319 1 . PRO 115 115 17319 1 . ASP 116 116 17319 1 . GLU 117 117 17319 1 . SER 118 118 17319 1 . VAL 119 119 17319 1 . VAL 120 120 17319 1 . LYS 121 121 17319 1 . LEU 122 122 17319 1 . MET 123 123 17319 1 . LEU 124 124 17319 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 17319 _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 $NP_253742.1 . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . NP_253742.1 . . . . 17319 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 17319 _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 $NP_253742.1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pSpeedET . . . . . . 17319 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17319 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.2mM [U-98% 13C; U-98% 15N]protein-NP_253742.1, 50mM NaCl, 20mM Sodium Phosphate, 4.5 mM sodium azide, 95% H20/5%D20' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 17319 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 17319 1 3 'sodium azide' 'natural abundance' . . . . . . 4.5 . . mM . . . . 17319 1 4 protein-NP_253742.1 '[U-98% 13C; U-98% 15N]' . . 1 $NP_253742.1 . . 1.2 . . mM . . . . 17319 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 17319 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 17319 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 17319 _Sample_condition_list.ID 1 _Sample_condition_list.Details '1.2mM [U-98% 13C; U-98% 15N]protein-NP_253742.1, 50mM NaCl, 20mM Sodium Phosphate, 4.5 mM sodium azide, 95% H20/5%D20' loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.113 . M 17319 1 pH 6.0 . pH 17319 1 pressure 1 . atm 17319 1 temperature 298 . K 17319 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17319 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details 'Structure calculation using torsion angle dynamics' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17319 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17319 1 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 17319 _Software.ID 2 _Software.Name UNIO _Software.Version 2.0.1 _Software.Details 'Automated backbone assignment, peak picking, Automated side-chain assignment, NOE assignments' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann and Wuthrich' . . 17319 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17319 2 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 17319 _Software.ID 3 _Software.Name OPAL _Software.Version . _Software.Details 'Energy refinement in a water shell using the AMBER force field' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 17319 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'energy refinement' 17319 3 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 17319 _Software.ID 4 _Software.Name CARA _Software.Version . _Software.Details 'Chemical shift assignment' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 17319 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 17319 4 stop_ save_ save_Topspin _Software.Sf_category software _Software.Sf_framecode Topspin _Software.Entry_ID 17319 _Software.ID 5 _Software.Name TOPSPIN _Software.Version 1.3 _Software.Details 'Acquisition and Processing' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17319 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID Acquisition 17319 5 'data analysis' 17319 5 processing 17319 5 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 17319 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17319 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17319 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 800 . . . 17319 1 2 spectrometer_2 Bruker Avance . 600 . . . 17319 1 stop_ save_ ############################# # NMR applied experiments # ############################# save_experiment_list _Experiment_list.Sf_category experiment_list _Experiment_list.Sf_framecode experiment_list _Experiment_list.Entry_ID 17319 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17319 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17319 1 3 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17319 1 4 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17319 1 5 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17319 1 6 '15N resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17319 1 7 '13Cali resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17319 1 8 '13Caro resolved [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17319 1 9 '15 N {1H} - NOE' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17319 1 stop_ save_ #################### # NMR parameters # #################### ############################## # Assigned chemical shifts # ############################## ################################ # Chemical shift referencing # ################################ save_chemical_shift_reference_1 _Chem_shift_reference.Sf_category chem_shift_reference _Chem_shift_reference.Sf_framecode chemical_shift_reference_1 _Chem_shift_reference.Entry_ID 17319 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 17319 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17319 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17319 1 stop_ save_ ################################### # Assigned chemical shift lists # ################################### ################################################################### # Chemical Shift Ambiguity Index Value Definitions # # # # The values other than 1 are used for those atoms with different # # chemical shifts that cannot be assigned to stereospecific atoms # # or to specific residues or chains. # # # # Index Value Definition # # # # 1 Unique (including isolated methyl protons, # # geminal atoms, and geminal methyl # # groups with identical chemical shifts) # # (e.g. ILE HD11, HD12, HD13 protons) # # 2 Ambiguity of geminal atoms or geminal methyl # # proton groups (e.g. ASP HB2 and HB3 # # protons, LEU CD1 and CD2 carbons, or # # LEU HD11, HD12, HD13 and HD21, HD22, # # HD23 methyl protons) # # 3 Aromatic atoms on opposite sides of # # symmetrical rings (e.g. TYR HE1 and HE2 # # protons) # # 4 Intraresidue ambiguities (e.g. LYS HG and # # HD protons or TRP HZ2 and HZ3 protons) # # 5 Interresidue ambiguities (LYS 12 vs. LYS 27) # # 6 Intermolecular ambiguities (e.g. ASP 31 CA # # in monomer 1 and ASP 31 CA in monomer 2 # # of an asymmetrical homodimer, duplex # # DNA assignments, or other assignments # # that may apply to atoms in one or more # # molecule in the molecular assembly) # # 9 Ambiguous, specific ambiguity not defined # # # ################################################################### save_assigned_chem_shift_list_1 _Assigned_chem_shift_list.Sf_category assigned_chemical_shifts _Assigned_chem_shift_list.Sf_framecode assigned_chem_shift_list_1 _Assigned_chem_shift_list.Entry_ID 17319 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.024 _Assigned_chem_shift_list.Chem_shift_13C_err 0.15 _Assigned_chem_shift_list.Chem_shift_15N_err 0.12 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '4D APSY-HACANH' . . . 17319 1 4 '5D APSY-HACACONH' . . . 17319 1 5 '5D APSY-CBCACONH' . . . 17319 1 6 '15N resolved [1H,1H]-NOESY' . . . 17319 1 7 '13Cali resolved [1H,1H]-NOESY' . . . 17319 1 8 '13Caro resolved [1H,1H]-NOESY' . . . 17319 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 4 $CARA . . 17319 1 5 $Topspin . . 17319 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 MET HA H 1 4.401 0.024 . 1 . . . . 2 MET HA . 17319 1 2 . 1 1 2 2 MET HB2 H 1 1.956 0.024 . 2 . . . . 2 MET QB . 17319 1 3 . 1 1 2 2 MET HB3 H 1 1.956 0.024 . 2 . . . . 2 MET QB . 17319 1 4 . 1 1 2 2 MET HG2 H 1 2.581 0.024 . 2 . . . . 2 MET HG2 . 17319 1 5 . 1 1 2 2 MET HG3 H 1 2.631 0.024 . 2 . . . . 2 MET HG3 . 17319 1 6 . 1 1 2 2 MET HE1 H 1 2.096 0.024 . 1 . . . . 2 MET QE . 17319 1 7 . 1 1 2 2 MET HE2 H 1 2.096 0.024 . 1 . . . . 2 MET QE . 17319 1 8 . 1 1 2 2 MET HE3 H 1 2.096 0.024 . 1 . . . . 2 MET QE . 17319 1 9 . 1 1 2 2 MET C C 13 175.690 0.15 . 1 . . . . 2 MET C . 17319 1 10 . 1 1 2 2 MET CA C 13 55.803 0.15 . 1 . . . . 2 MET CA . 17319 1 11 . 1 1 2 2 MET CB C 13 34.003 0.15 . 1 . . . . 2 MET CB . 17319 1 12 . 1 1 2 2 MET CG C 13 32.333 0.15 . 1 . . . . 2 MET CG . 17319 1 13 . 1 1 2 2 MET CE C 13 17.483 0.15 . 1 . . . . 2 MET CE . 17319 1 14 . 1 1 3 3 ARG H H 1 8.581 0.024 . 1 . . . . 3 ARG H . 17319 1 15 . 1 1 3 3 ARG HA H 1 4.176 0.024 . 1 . . . . 3 ARG HA . 17319 1 16 . 1 1 3 3 ARG HB2 H 1 1.341 0.024 . 2 . . . . 3 ARG QB . 17319 1 17 . 1 1 3 3 ARG HB3 H 1 1.341 0.024 . 2 . . . . 3 ARG QB . 17319 1 18 . 1 1 3 3 ARG HG2 H 1 1.007 0.024 . 2 . . . . 3 ARG QG . 17319 1 19 . 1 1 3 3 ARG HG3 H 1 1.007 0.024 . 2 . . . . 3 ARG QG . 17319 1 20 . 1 1 3 3 ARG HD2 H 1 2.442 0.024 . 2 . . . . 3 ARG HD2 . 17319 1 21 . 1 1 3 3 ARG HD3 H 1 2.291 0.024 . 2 . . . . 3 ARG HD3 . 17319 1 22 . 1 1 3 3 ARG HE H 1 6.759 0.024 . 1 . . . . 3 ARG HE . 17319 1 23 . 1 1 3 3 ARG CA C 13 54.800 0.15 . 1 . . . . 3 ARG CA . 17319 1 24 . 1 1 3 3 ARG CB C 13 29.924 0.15 . 1 . . . . 3 ARG CB . 17319 1 25 . 1 1 3 3 ARG CG C 13 26.584 0.15 . 1 . . . . 3 ARG CG . 17319 1 26 . 1 1 3 3 ARG CD C 13 43.097 0.15 . 1 . . . . 3 ARG CD . 17319 1 27 . 1 1 3 3 ARG N N 15 124.124 0.12 . 1 . . . . 3 ARG N . 17319 1 28 . 1 1 3 3 ARG NE N 15 84.589 0.12 . 1 . . . . 3 ARG NE . 17319 1 29 . 1 1 4 4 ILE H H 1 7.906 0.024 . 1 . . . . 4 ILE H . 17319 1 30 . 1 1 4 4 ILE HA H 1 3.652 0.024 . 1 . . . . 4 ILE HA . 17319 1 31 . 1 1 4 4 ILE HB H 1 1.270 0.024 . 1 . . . . 4 ILE HB . 17319 1 32 . 1 1 4 4 ILE HG12 H 1 0.969 0.024 . 2 . . . . 4 ILE HG12 . 17319 1 33 . 1 1 4 4 ILE HG13 H 1 0.071 0.024 . 2 . . . . 4 ILE HG13 . 17319 1 34 . 1 1 4 4 ILE HG21 H 1 0.076 0.024 . 1 . . . . 4 ILE QG2 . 17319 1 35 . 1 1 4 4 ILE HG22 H 1 0.076 0.024 . 1 . . . . 4 ILE QG2 . 17319 1 36 . 1 1 4 4 ILE HG23 H 1 0.076 0.024 . 1 . . . . 4 ILE QG2 . 17319 1 37 . 1 1 4 4 ILE HD11 H 1 0.434 0.024 . 1 . . . . 4 ILE QD1 . 17319 1 38 . 1 1 4 4 ILE HD12 H 1 0.434 0.024 . 1 . . . . 4 ILE QD1 . 17319 1 39 . 1 1 4 4 ILE HD13 H 1 0.434 0.024 . 1 . . . . 4 ILE QD1 . 17319 1 40 . 1 1 4 4 ILE CA C 13 58.241 0.15 . 1 . . . . 4 ILE CA . 17319 1 41 . 1 1 4 4 ILE CB C 13 39.235 0.15 . 1 . . . . 4 ILE CB . 17319 1 42 . 1 1 4 4 ILE CG1 C 13 27.157 0.15 . 1 . . . . 4 ILE CG1 . 17319 1 43 . 1 1 4 4 ILE CG2 C 13 15.580 0.15 . 1 . . . . 4 ILE CG2 . 17319 1 44 . 1 1 4 4 ILE CD1 C 13 12.463 0.15 . 1 . . . . 4 ILE CD1 . 17319 1 45 . 1 1 4 4 ILE N N 15 126.819 0.12 . 1 . . . . 4 ILE N . 17319 1 46 . 1 1 5 5 PRO HA H 1 3.788 0.024 . 1 . . . . 5 PRO HA . 17319 1 47 . 1 1 5 5 PRO HB2 H 1 1.377 0.024 . 2 . . . . 5 PRO HB2 . 17319 1 48 . 1 1 5 5 PRO HB3 H 1 1.407 0.024 . 2 . . . . 5 PRO HB3 . 17319 1 49 . 1 1 5 5 PRO HG2 H 1 1.694 0.024 . 2 . . . . 5 PRO HG2 . 17319 1 50 . 1 1 5 5 PRO HG3 H 1 1.599 0.024 . 2 . . . . 5 PRO HG3 . 17319 1 51 . 1 1 5 5 PRO HD2 H 1 2.540 0.024 . 2 . . . . 5 PRO HD2 . 17319 1 52 . 1 1 5 5 PRO HD3 H 1 3.606 0.024 . 2 . . . . 5 PRO HD3 . 17319 1 53 . 1 1 5 5 PRO C C 13 176.336 0.15 . 1 . . . . 5 PRO C . 17319 1 54 . 1 1 5 5 PRO CA C 13 63.454 0.15 . 1 . . . . 5 PRO CA . 17319 1 55 . 1 1 5 5 PRO CB C 13 31.919 0.15 . 1 . . . . 5 PRO CB . 17319 1 56 . 1 1 5 5 PRO CG C 13 27.435 0.15 . 1 . . . . 5 PRO CG . 17319 1 57 . 1 1 5 5 PRO CD C 13 51.758 0.15 . 1 . . . . 5 PRO CD . 17319 1 58 . 1 1 6 6 SER H H 1 9.063 0.024 . 1 . . . . 6 SER H . 17319 1 59 . 1 1 6 6 SER HA H 1 4.131 0.024 . 1 . . . . 6 SER HA . 17319 1 60 . 1 1 6 6 SER HB2 H 1 3.636 0.024 . 2 . . . . 6 SER HB2 . 17319 1 61 . 1 1 6 6 SER HB3 H 1 3.827 0.024 . 2 . . . . 6 SER HB3 . 17319 1 62 . 1 1 6 6 SER C C 13 174.785 0.15 . 1 . . . . 6 SER C . 17319 1 63 . 1 1 6 6 SER CA C 13 59.429 0.15 . 1 . . . . 6 SER CA . 17319 1 64 . 1 1 6 6 SER CB C 13 63.278 0.15 . 1 . . . . 6 SER CB . 17319 1 65 . 1 1 6 6 SER N N 15 118.662 0.12 . 1 . . . . 6 SER N . 17319 1 66 . 1 1 7 7 ALA H H 1 7.432 0.024 . 1 . . . . 7 ALA H . 17319 1 67 . 1 1 7 7 ALA HA H 1 4.354 0.024 . 1 . . . . 7 ALA HA . 17319 1 68 . 1 1 7 7 ALA HB1 H 1 1.171 0.024 . 1 . . . . 7 ALA QB . 17319 1 69 . 1 1 7 7 ALA HB2 H 1 1.171 0.024 . 1 . . . . 7 ALA QB . 17319 1 70 . 1 1 7 7 ALA HB3 H 1 1.171 0.024 . 1 . . . . 7 ALA QB . 17319 1 71 . 1 1 7 7 ALA C C 13 174.606 0.15 . 1 . . . . 7 ALA C . 17319 1 72 . 1 1 7 7 ALA CA C 13 52.439 0.15 . 1 . . . . 7 ALA CA . 17319 1 73 . 1 1 7 7 ALA CB C 13 22.301 0.15 . 1 . . . . 7 ALA CB . 17319 1 74 . 1 1 7 7 ALA N N 15 120.264 0.12 . 1 . . . . 7 ALA N . 17319 1 75 . 1 1 8 8 ILE H H 1 8.214 0.024 . 1 . . . . 8 ILE H . 17319 1 76 . 1 1 8 8 ILE HA H 1 4.536 0.024 . 1 . . . . 8 ILE HA . 17319 1 77 . 1 1 8 8 ILE HB H 1 1.567 0.024 . 1 . . . . 8 ILE HB . 17319 1 78 . 1 1 8 8 ILE HG12 H 1 1.327 0.024 . 2 . . . . 8 ILE HG12 . 17319 1 79 . 1 1 8 8 ILE HG13 H 1 0.780 0.024 . 2 . . . . 8 ILE HG13 . 17319 1 80 . 1 1 8 8 ILE HG21 H 1 0.663 0.024 . 1 . . . . 8 ILE QG2 . 17319 1 81 . 1 1 8 8 ILE HG22 H 1 0.663 0.024 . 1 . . . . 8 ILE QG2 . 17319 1 82 . 1 1 8 8 ILE HG23 H 1 0.663 0.024 . 1 . . . . 8 ILE QG2 . 17319 1 83 . 1 1 8 8 ILE HD11 H 1 0.844 0.024 . 1 . . . . 8 ILE QD1 . 17319 1 84 . 1 1 8 8 ILE HD12 H 1 0.844 0.024 . 1 . . . . 8 ILE QD1 . 17319 1 85 . 1 1 8 8 ILE HD13 H 1 0.844 0.024 . 1 . . . . 8 ILE QD1 . 17319 1 86 . 1 1 8 8 ILE C C 13 175.220 0.15 . 1 . . . . 8 ILE C . 17319 1 87 . 1 1 8 8 ILE CA C 13 60.663 0.15 . 1 . . . . 8 ILE CA . 17319 1 88 . 1 1 8 8 ILE CB C 13 41.414 0.15 . 1 . . . . 8 ILE CB . 17319 1 89 . 1 1 8 8 ILE CG1 C 13 27.407 0.15 . 1 . . . . 8 ILE CG1 . 17319 1 90 . 1 1 8 8 ILE CG2 C 13 18.057 0.15 . 1 . . . . 8 ILE CG2 . 17319 1 91 . 1 1 8 8 ILE CD1 C 13 15.085 0.15 . 1 . . . . 8 ILE CD1 . 17319 1 92 . 1 1 8 8 ILE N N 15 120.308 0.12 . 1 . . . . 8 ILE N . 17319 1 93 . 1 1 9 9 GLN H H 1 8.886 0.024 . 1 . . . . 9 GLN H . 17319 1 94 . 1 1 9 9 GLN HA H 1 4.495 0.024 . 1 . . . . 9 GLN HA . 17319 1 95 . 1 1 9 9 GLN HB2 H 1 1.736 0.024 . 2 . . . . 9 GLN HB2 . 17319 1 96 . 1 1 9 9 GLN HB3 H 1 1.536 0.024 . 2 . . . . 9 GLN HB3 . 17319 1 97 . 1 1 9 9 GLN HG2 H 1 1.857 0.024 . 2 . . . . 9 GLN QG . 17319 1 98 . 1 1 9 9 GLN HG3 H 1 1.857 0.024 . 2 . . . . 9 GLN QG . 17319 1 99 . 1 1 9 9 GLN HE21 H 1 6.701 0.024 . 2 . . . . 9 GLN HE21 . 17319 1 100 . 1 1 9 9 GLN HE22 H 1 7.325 0.024 . 2 . . . . 9 GLN HE22 . 17319 1 101 . 1 1 9 9 GLN C C 13 173.296 0.15 . 1 . . . . 9 GLN C . 17319 1 102 . 1 1 9 9 GLN CA C 13 54.428 0.15 . 1 . . . . 9 GLN CA . 17319 1 103 . 1 1 9 9 GLN CB C 13 32.152 0.15 . 1 . . . . 9 GLN CB . 17319 1 104 . 1 1 9 9 GLN CG C 13 33.391 0.15 . 1 . . . . 9 GLN CG . 17319 1 105 . 1 1 9 9 GLN N N 15 124.882 0.12 . 1 . . . . 9 GLN N . 17319 1 106 . 1 1 9 9 GLN NE2 N 15 111.282 0.12 . 1 . . . . 9 GLN NE2 . 17319 1 107 . 1 1 10 10 LEU H H 1 8.791 0.024 . 1 . . . . 10 LEU H . 17319 1 108 . 1 1 10 10 LEU HA H 1 4.403 0.024 . 1 . . . . 10 LEU HA . 17319 1 109 . 1 1 10 10 LEU HB2 H 1 1.774 0.024 . 2 . . . . 10 LEU HB2 . 17319 1 110 . 1 1 10 10 LEU HB3 H 1 1.007 0.024 . 2 . . . . 10 LEU HB3 . 17319 1 111 . 1 1 10 10 LEU HG H 1 1.223 0.024 . 1 . . . . 10 LEU HG . 17319 1 112 . 1 1 10 10 LEU HD11 H 1 0.629 0.024 . 2 . . . . 10 LEU QD1 . 17319 1 113 . 1 1 10 10 LEU HD12 H 1 0.629 0.024 . 2 . . . . 10 LEU QD1 . 17319 1 114 . 1 1 10 10 LEU HD13 H 1 0.629 0.024 . 2 . . . . 10 LEU QD1 . 17319 1 115 . 1 1 10 10 LEU HD21 H 1 0.600 0.024 . 2 . . . . 10 LEU QD2 . 17319 1 116 . 1 1 10 10 LEU HD22 H 1 0.600 0.024 . 2 . . . . 10 LEU QD2 . 17319 1 117 . 1 1 10 10 LEU HD23 H 1 0.600 0.024 . 2 . . . . 10 LEU QD2 . 17319 1 118 . 1 1 10 10 LEU C C 13 175.169 0.15 . 1 . . . . 10 LEU C . 17319 1 119 . 1 1 10 10 LEU CA C 13 54.452 0.15 . 1 . . . . 10 LEU CA . 17319 1 120 . 1 1 10 10 LEU CB C 13 42.758 0.15 . 1 . . . . 10 LEU CB . 17319 1 121 . 1 1 10 10 LEU CG C 13 27.739 0.15 . 1 . . . . 10 LEU CG . 17319 1 122 . 1 1 10 10 LEU CD1 C 13 25.569 0.15 . 2 . . . . 10 LEU CD1 . 17319 1 123 . 1 1 10 10 LEU CD2 C 13 23.900 0.15 . 2 . . . . 10 LEU CD2 . 17319 1 124 . 1 1 10 10 LEU N N 15 127.952 0.12 . 1 . . . . 10 LEU N . 17319 1 125 . 1 1 11 11 HIS H H 1 8.852 0.024 . 1 . . . . 11 HIS H . 17319 1 126 . 1 1 11 11 HIS HA H 1 4.880 0.024 . 1 . . . . 11 HIS HA . 17319 1 127 . 1 1 11 11 HIS HB2 H 1 3.272 0.024 . 2 . . . . 11 HIS HB2 . 17319 1 128 . 1 1 11 11 HIS HB3 H 1 3.089 0.024 . 2 . . . . 11 HIS HB3 . 17319 1 129 . 1 1 11 11 HIS HD2 H 1 6.934 0.024 . 1 . . . . 11 HIS HD2 . 17319 1 130 . 1 1 11 11 HIS HE1 H 1 8.081 0.024 . 1 . . . . 11 HIS HE1 . 17319 1 131 . 1 1 11 11 HIS C C 13 174.996 0.15 . 1 . . . . 11 HIS C . 17319 1 132 . 1 1 11 11 HIS CA C 13 53.934 0.15 . 1 . . . . 11 HIS CA . 17319 1 133 . 1 1 11 11 HIS CB C 13 28.722 0.15 . 1 . . . . 11 HIS CB . 17319 1 134 . 1 1 11 11 HIS CD2 C 13 120.672 0.15 . 1 . . . . 11 HIS CD2 . 17319 1 135 . 1 1 11 11 HIS CE1 C 13 137.100 0.15 . 1 . . . . 11 HIS CE1 . 17319 1 136 . 1 1 11 11 HIS N N 15 127.677 0.12 . 1 . . . . 11 HIS N . 17319 1 137 . 1 1 11 11 HIS ND1 N 15 201.737 0.12 . 1 . . . . 11 HIS ND1 . 17319 1 138 . 1 1 12 12 LYS H H 1 8.775 0.024 . 1 . . . . 12 LYS H . 17319 1 139 . 1 1 12 12 LYS HA H 1 3.882 0.024 . 1 . . . . 12 LYS HA . 17319 1 140 . 1 1 12 12 LYS HB2 H 1 1.813 0.024 . 2 . . . . 12 LYS HB2 . 17319 1 141 . 1 1 12 12 LYS HB3 H 1 1.745 0.024 . 2 . . . . 12 LYS HB3 . 17319 1 142 . 1 1 12 12 LYS HG2 H 1 1.454 0.024 . 2 . . . . 12 LYS HG2 . 17319 1 143 . 1 1 12 12 LYS HG3 H 1 1.303 0.024 . 2 . . . . 12 LYS HG3 . 17319 1 144 . 1 1 12 12 LYS HD2 H 1 1.664 0.024 . 2 . . . . 12 LYS QD . 17319 1 145 . 1 1 12 12 LYS HD3 H 1 1.664 0.024 . 2 . . . . 12 LYS QD . 17319 1 146 . 1 1 12 12 LYS HE2 H 1 2.935 0.024 . 2 . . . . 12 LYS QE . 17319 1 147 . 1 1 12 12 LYS HE3 H 1 2.935 0.024 . 2 . . . . 12 LYS QE . 17319 1 148 . 1 1 12 12 LYS CA C 13 60.615 0.15 . 1 . . . . 12 LYS CA . 17319 1 149 . 1 1 12 12 LYS CB C 13 32.555 0.15 . 1 . . . . 12 LYS CB . 17319 1 150 . 1 1 12 12 LYS CG C 13 26.240 0.15 . 1 . . . . 12 LYS CG . 17319 1 151 . 1 1 12 12 LYS CD C 13 29.695 0.15 . 1 . . . . 12 LYS CD . 17319 1 152 . 1 1 12 12 LYS CE C 13 42.748 0.15 . 1 . . . . 12 LYS CE . 17319 1 153 . 1 1 12 12 LYS N N 15 124.566 0.12 . 1 . . . . 12 LYS N . 17319 1 154 . 1 1 13 13 ALA H H 1 8.869 0.024 . 1 . . . . 13 ALA H . 17319 1 155 . 1 1 13 13 ALA HA H 1 4.146 0.024 . 1 . . . . 13 ALA HA . 17319 1 156 . 1 1 13 13 ALA HB1 H 1 1.411 0.024 . 1 . . . . 13 ALA QB . 17319 1 157 . 1 1 13 13 ALA HB2 H 1 1.411 0.024 . 1 . . . . 13 ALA QB . 17319 1 158 . 1 1 13 13 ALA HB3 H 1 1.411 0.024 . 1 . . . . 13 ALA QB . 17319 1 159 . 1 1 13 13 ALA C C 13 178.803 0.15 . 1 . . . . 13 ALA C . 17319 1 160 . 1 1 13 13 ALA CA C 13 55.090 0.15 . 1 . . . . 13 ALA CA . 17319 1 161 . 1 1 13 13 ALA CB C 13 18.155 0.15 . 1 . . . . 13 ALA CB . 17319 1 162 . 1 1 13 13 ALA N N 15 121.530 0.12 . 1 . . . . 13 ALA N . 17319 1 163 . 1 1 14 14 SER H H 1 7.374 0.024 . 1 . . . . 14 SER H . 17319 1 164 . 1 1 14 14 SER HA H 1 4.436 0.024 . 1 . . . . 14 SER HA . 17319 1 165 . 1 1 14 14 SER HB2 H 1 3.929 0.024 . 2 . . . . 14 SER HB2 . 17319 1 166 . 1 1 14 14 SER HB3 H 1 3.700 0.024 . 2 . . . . 14 SER HB3 . 17319 1 167 . 1 1 14 14 SER CA C 13 57.540 0.15 . 1 . . . . 14 SER CA . 17319 1 168 . 1 1 14 14 SER CB C 13 63.271 0.15 . 1 . . . . 14 SER CB . 17319 1 169 . 1 1 14 14 SER N N 15 108.735 0.12 . 1 . . . . 14 SER N . 17319 1 170 . 1 1 15 15 LYS H H 1 7.954 0.024 . 1 . . . . 15 LYS H . 17319 1 171 . 1 1 15 15 LYS HA H 1 4.220 0.024 . 1 . . . . 15 LYS HA . 17319 1 172 . 1 1 15 15 LYS HB2 H 1 1.900 0.024 . 2 . . . . 15 LYS HB2 . 17319 1 173 . 1 1 15 15 LYS HB3 H 1 2.218 0.024 . 2 . . . . 15 LYS HB3 . 17319 1 174 . 1 1 15 15 LYS HG2 H 1 1.517 0.024 . 2 . . . . 15 LYS HG2 . 17319 1 175 . 1 1 15 15 LYS HG3 H 1 1.341 0.024 . 2 . . . . 15 LYS HG3 . 17319 1 176 . 1 1 15 15 LYS HD2 H 1 1.627 0.024 . 2 . . . . 15 LYS HD2 . 17319 1 177 . 1 1 15 15 LYS HD3 H 1 1.795 0.024 . 2 . . . . 15 LYS HD3 . 17319 1 178 . 1 1 15 15 LYS HE3 H 1 2.937 0.024 . 2 . . . . 15 LYS HE3 . 17319 1 179 . 1 1 15 15 LYS C C 13 175.226 0.15 . 1 . . . . 15 LYS C . 17319 1 180 . 1 1 15 15 LYS CA C 13 56.545 0.15 . 1 . . . . 15 LYS CA . 17319 1 181 . 1 1 15 15 LYS CB C 13 30.562 0.15 . 1 . . . . 15 LYS CB . 17319 1 182 . 1 1 15 15 LYS CG C 13 25.088 0.15 . 1 . . . . 15 LYS CG . 17319 1 183 . 1 1 15 15 LYS CD C 13 29.680 0.15 . 1 . . . . 15 LYS CD . 17319 1 184 . 1 1 15 15 LYS CE C 13 42.839 0.15 . 1 . . . . 15 LYS CE . 17319 1 185 . 1 1 15 15 LYS N N 15 120.821 0.12 . 1 . . . . 15 LYS N . 17319 1 186 . 1 1 16 16 THR H H 1 7.875 0.024 . 1 . . . . 16 THR H . 17319 1 187 . 1 1 16 16 THR HA H 1 4.715 0.024 . 1 . . . . 16 THR HA . 17319 1 188 . 1 1 16 16 THR HB H 1 3.621 0.024 . 1 . . . . 16 THR HB . 17319 1 189 . 1 1 16 16 THR HG21 H 1 0.835 0.024 . 1 . . . . 16 THR QG2 . 17319 1 190 . 1 1 16 16 THR HG22 H 1 0.835 0.024 . 1 . . . . 16 THR QG2 . 17319 1 191 . 1 1 16 16 THR HG23 H 1 0.835 0.024 . 1 . . . . 16 THR QG2 . 17319 1 192 . 1 1 16 16 THR C C 13 171.307 0.15 . 1 . . . . 16 THR C . 17319 1 193 . 1 1 16 16 THR CA C 13 61.690 0.15 . 1 . . . . 16 THR CA . 17319 1 194 . 1 1 16 16 THR CB C 13 73.024 0.15 . 1 . . . . 16 THR CB . 17319 1 195 . 1 1 16 16 THR CG2 C 13 21.748 0.15 . 1 . . . . 16 THR CG2 . 17319 1 196 . 1 1 16 16 THR N N 15 111.730 0.12 . 1 . . . . 16 THR N . 17319 1 197 . 1 1 17 17 LEU H H 1 8.665 0.024 . 1 . . . . 17 LEU H . 17319 1 198 . 1 1 17 17 LEU HA H 1 4.786 0.024 . 1 . . . . 17 LEU HA . 17319 1 199 . 1 1 17 17 LEU HB2 H 1 0.818 0.024 . 2 . . . . 17 LEU HB2 . 17319 1 200 . 1 1 17 17 LEU HB3 H 1 1.912 0.024 . 2 . . . . 17 LEU HB3 . 17319 1 201 . 1 1 17 17 LEU HG H 1 1.226 0.024 . 1 . . . . 17 LEU HG . 17319 1 202 . 1 1 17 17 LEU HD11 H 1 0.590 0.024 . 2 . . . . 17 LEU QD1 . 17319 1 203 . 1 1 17 17 LEU HD12 H 1 0.590 0.024 . 2 . . . . 17 LEU QD1 . 17319 1 204 . 1 1 17 17 LEU HD13 H 1 0.590 0.024 . 2 . . . . 17 LEU QD1 . 17319 1 205 . 1 1 17 17 LEU HD21 H 1 0.623 0.024 . 2 . . . . 17 LEU QD2 . 17319 1 206 . 1 1 17 17 LEU HD22 H 1 0.623 0.024 . 2 . . . . 17 LEU QD2 . 17319 1 207 . 1 1 17 17 LEU HD23 H 1 0.623 0.024 . 2 . . . . 17 LEU QD2 . 17319 1 208 . 1 1 17 17 LEU C C 13 174.395 0.15 . 1 . . . . 17 LEU C . 17319 1 209 . 1 1 17 17 LEU CA C 13 53.067 0.15 . 1 . . . . 17 LEU CA . 17319 1 210 . 1 1 17 17 LEU CB C 13 45.916 0.15 . 1 . . . . 17 LEU CB . 17319 1 211 . 1 1 17 17 LEU CG C 13 27.461 0.15 . 1 . . . . 17 LEU CG . 17319 1 212 . 1 1 17 17 LEU CD1 C 13 26.393 0.15 . 2 . . . . 17 LEU CD1 . 17319 1 213 . 1 1 17 17 LEU CD2 C 13 24.029 0.15 . 2 . . . . 17 LEU CD2 . 17319 1 214 . 1 1 17 17 LEU N N 15 127.371 0.12 . 1 . . . . 17 LEU N . 17319 1 215 . 1 1 18 18 THR H H 1 9.306 0.024 . 1 . . . . 18 THR H . 17319 1 216 . 1 1 18 18 THR HA H 1 5.470 0.024 . 1 . . . . 18 THR HA . 17319 1 217 . 1 1 18 18 THR HB H 1 3.851 0.024 . 1 . . . . 18 THR HB . 17319 1 218 . 1 1 18 18 THR HG21 H 1 1.053 0.024 . 1 . . . . 18 THR QG2 . 17319 1 219 . 1 1 18 18 THR HG22 H 1 1.053 0.024 . 1 . . . . 18 THR QG2 . 17319 1 220 . 1 1 18 18 THR HG23 H 1 1.053 0.024 . 1 . . . . 18 THR QG2 . 17319 1 221 . 1 1 18 18 THR C C 13 174.011 0.15 . 1 . . . . 18 THR C . 17319 1 222 . 1 1 18 18 THR CA C 13 62.404 0.15 . 1 . . . . 18 THR CA . 17319 1 223 . 1 1 18 18 THR CB C 13 70.407 0.15 . 1 . . . . 18 THR CB . 17319 1 224 . 1 1 18 18 THR CG2 C 13 22.062 0.15 . 1 . . . . 18 THR CG2 . 17319 1 225 . 1 1 18 18 THR N N 15 126.281 0.12 . 1 . . . . 18 THR N . 17319 1 226 . 1 1 19 19 LEU H H 1 8.965 0.024 . 1 . . . . 19 LEU H . 17319 1 227 . 1 1 19 19 LEU HA H 1 4.828 0.024 . 1 . . . . 19 LEU HA . 17319 1 228 . 1 1 19 19 LEU HB2 H 1 1.212 0.024 . 2 . . . . 19 LEU HB2 . 17319 1 229 . 1 1 19 19 LEU HB3 H 1 1.810 0.024 . 2 . . . . 19 LEU HB3 . 17319 1 230 . 1 1 19 19 LEU HG H 1 1.579 0.024 . 1 . . . . 19 LEU HG . 17319 1 231 . 1 1 19 19 LEU HD11 H 1 1.013 0.024 . 2 . . . . 19 LEU QD1 . 17319 1 232 . 1 1 19 19 LEU HD12 H 1 1.013 0.024 . 2 . . . . 19 LEU QD1 . 17319 1 233 . 1 1 19 19 LEU HD13 H 1 1.013 0.024 . 2 . . . . 19 LEU QD1 . 17319 1 234 . 1 1 19 19 LEU HD21 H 1 0.865 0.024 . 2 . . . . 19 LEU QD2 . 17319 1 235 . 1 1 19 19 LEU HD22 H 1 0.865 0.024 . 2 . . . . 19 LEU QD2 . 17319 1 236 . 1 1 19 19 LEU HD23 H 1 0.865 0.024 . 2 . . . . 19 LEU QD2 . 17319 1 237 . 1 1 19 19 LEU C C 13 174.697 0.15 . 1 . . . . 19 LEU C . 17319 1 238 . 1 1 19 19 LEU CA C 13 53.007 0.15 . 1 . . . . 19 LEU CA . 17319 1 239 . 1 1 19 19 LEU CB C 13 46.035 0.15 . 1 . . . . 19 LEU CB . 17319 1 240 . 1 1 19 19 LEU CG C 13 27.516 0.15 . 1 . . . . 19 LEU CG . 17319 1 241 . 1 1 19 19 LEU CD1 C 13 27.530 0.15 . 2 . . . . 19 LEU CD1 . 17319 1 242 . 1 1 19 19 LEU CD2 C 13 24.999 0.15 . 2 . . . . 19 LEU CD2 . 17319 1 243 . 1 1 19 19 LEU N N 15 126.207 0.12 . 1 . . . . 19 LEU N . 17319 1 244 . 1 1 20 20 ARG H H 1 8.157 0.024 . 1 . . . . 20 ARG H . 17319 1 245 . 1 1 20 20 ARG HA H 1 5.179 0.024 . 1 . . . . 20 ARG HA . 17319 1 246 . 1 1 20 20 ARG HB2 H 1 1.582 0.024 . 2 . . . . 20 ARG HB2 . 17319 1 247 . 1 1 20 20 ARG HB3 H 1 1.388 0.024 . 2 . . . . 20 ARG HB3 . 17319 1 248 . 1 1 20 20 ARG HG2 H 1 1.276 0.024 . 2 . . . . 20 ARG HG2 . 17319 1 249 . 1 1 20 20 ARG HG3 H 1 1.194 0.024 . 2 . . . . 20 ARG HG3 . 17319 1 250 . 1 1 20 20 ARG HD2 H 1 3.013 0.024 . 2 . . . . 20 ARG HD2 . 17319 1 251 . 1 1 20 20 ARG HD3 H 1 2.920 0.024 . 2 . . . . 20 ARG HD3 . 17319 1 252 . 1 1 20 20 ARG HE H 1 6.995 0.024 . 1 . . . . 20 ARG HE . 17319 1 253 . 1 1 20 20 ARG C C 13 174.551 0.15 . 1 . . . . 20 ARG C . 17319 1 254 . 1 1 20 20 ARG CA C 13 54.328 0.15 . 1 . . . . 20 ARG CA . 17319 1 255 . 1 1 20 20 ARG CB C 13 32.888 0.15 . 1 . . . . 20 ARG CB . 17319 1 256 . 1 1 20 20 ARG CG C 13 27.904 0.15 . 1 . . . . 20 ARG CG . 17319 1 257 . 1 1 20 20 ARG CD C 13 43.512 0.15 . 1 . . . . 20 ARG CD . 17319 1 258 . 1 1 20 20 ARG N N 15 121.742 0.12 . 1 . . . . 20 ARG N . 17319 1 259 . 1 1 20 20 ARG NE N 15 83.498 0.12 . 1 . . . . 20 ARG NE . 17319 1 260 . 1 1 21 21 TYR H H 1 9.002 0.024 . 1 . . . . 21 TYR H . 17319 1 261 . 1 1 21 21 TYR HA H 1 4.723 0.024 . 1 . . . . 21 TYR HA . 17319 1 262 . 1 1 21 21 TYR HB2 H 1 2.954 0.024 . 2 . . . . 21 TYR HB2 . 17319 1 263 . 1 1 21 21 TYR HB3 H 1 3.028 0.024 . 2 . . . . 21 TYR HB3 . 17319 1 264 . 1 1 21 21 TYR HD1 H 1 6.380 0.024 . 3 . . . . 21 TYR QD . 17319 1 265 . 1 1 21 21 TYR HD2 H 1 6.380 0.024 . 3 . . . . 21 TYR QD . 17319 1 266 . 1 1 21 21 TYR HE1 H 1 6.193 0.024 . 3 . . . . 21 TYR QE . 17319 1 267 . 1 1 21 21 TYR HE2 H 1 6.193 0.024 . 3 . . . . 21 TYR QE . 17319 1 268 . 1 1 21 21 TYR C C 13 176.483 0.15 . 1 . . . . 21 TYR C . 17319 1 269 . 1 1 21 21 TYR CA C 13 56.613 0.15 . 1 . . . . 21 TYR CA . 17319 1 270 . 1 1 21 21 TYR CB C 13 38.899 0.15 . 1 . . . . 21 TYR CB . 17319 1 271 . 1 1 21 21 TYR CD1 C 13 132.860 0.15 . 3 . . . . 21 TYR CD1 . 17319 1 272 . 1 1 21 21 TYR CE1 C 13 117.946 0.15 . 3 . . . . 21 TYR CE1 . 17319 1 273 . 1 1 21 21 TYR N N 15 125.296 0.12 . 1 . . . . 21 TYR N . 17319 1 274 . 1 1 22 22 GLY H H 1 8.556 0.024 . 1 . . . . 22 GLY H . 17319 1 275 . 1 1 22 22 GLY HA2 H 1 3.988 0.024 . 2 . . . . 22 GLY HA2 . 17319 1 276 . 1 1 22 22 GLY HA3 H 1 3.508 0.024 . 2 . . . . 22 GLY HA3 . 17319 1 277 . 1 1 22 22 GLY C C 13 174.573 0.15 . 1 . . . . 22 GLY C . 17319 1 278 . 1 1 22 22 GLY CA C 13 47.463 0.15 . 1 . . . . 22 GLY CA . 17319 1 279 . 1 1 22 22 GLY N N 15 113.533 0.12 . 1 . . . . 22 GLY N . 17319 1 280 . 1 1 23 23 GLU H H 1 8.972 0.024 . 1 . . . . 23 GLU H . 17319 1 281 . 1 1 23 23 GLU HA H 1 4.162 0.024 . 1 . . . . 23 GLU HA . 17319 1 282 . 1 1 23 23 GLU HB2 H 1 2.134 0.024 . 2 . . . . 23 GLU HB2 . 17319 1 283 . 1 1 23 23 GLU HB3 H 1 1.765 0.024 . 2 . . . . 23 GLU HB3 . 17319 1 284 . 1 1 23 23 GLU HG2 H 1 2.223 0.024 . 2 . . . . 23 GLU HG2 . 17319 1 285 . 1 1 23 23 GLU HG3 H 1 2.145 0.024 . 2 . . . . 23 GLU HG3 . 17319 1 286 . 1 1 23 23 GLU C C 13 176.319 0.15 . 1 . . . . 23 GLU C . 17319 1 287 . 1 1 23 23 GLU CA C 13 56.576 0.15 . 1 . . . . 23 GLU CA . 17319 1 288 . 1 1 23 23 GLU CB C 13 30.266 0.15 . 1 . . . . 23 GLU CB . 17319 1 289 . 1 1 23 23 GLU CG C 13 36.472 0.15 . 1 . . . . 23 GLU CG . 17319 1 290 . 1 1 23 23 GLU N N 15 126.701 0.12 . 1 . . . . 23 GLU N . 17319 1 291 . 1 1 24 24 ASP H H 1 7.788 0.024 . 1 . . . . 24 ASP H . 17319 1 292 . 1 1 24 24 ASP HA H 1 4.637 0.024 . 1 . . . . 24 ASP HA . 17319 1 293 . 1 1 24 24 ASP HB2 H 1 2.834 0.024 . 2 . . . . 24 ASP HB2 . 17319 1 294 . 1 1 24 24 ASP HB3 H 1 2.399 0.024 . 2 . . . . 24 ASP HB3 . 17319 1 295 . 1 1 24 24 ASP CA C 13 54.296 0.15 . 1 . . . . 24 ASP CA . 17319 1 296 . 1 1 24 24 ASP CB C 13 43.014 0.15 . 1 . . . . 24 ASP CB . 17319 1 297 . 1 1 24 24 ASP N N 15 120.306 0.12 . 1 . . . . 24 ASP N . 17319 1 298 . 1 1 25 25 SER H H 1 8.185 0.024 . 1 . . . . 25 SER H . 17319 1 299 . 1 1 25 25 SER HA H 1 5.069 0.024 . 1 . . . . 25 SER HA . 17319 1 300 . 1 1 25 25 SER HB2 H 1 3.431 0.024 . 2 . . . . 25 SER HB2 . 17319 1 301 . 1 1 25 25 SER HB3 H 1 3.322 0.024 . 2 . . . . 25 SER HB3 . 17319 1 302 . 1 1 25 25 SER C C 13 172.757 0.15 . 1 . . . . 25 SER C . 17319 1 303 . 1 1 25 25 SER CA C 13 57.427 0.15 . 1 . . . . 25 SER CA . 17319 1 304 . 1 1 25 25 SER CB C 13 65.181 0.15 . 1 . . . . 25 SER CB . 17319 1 305 . 1 1 25 25 SER N N 15 116.968 0.12 . 1 . . . . 25 SER N . 17319 1 306 . 1 1 26 26 TYR H H 1 8.914 0.024 . 1 . . . . 26 TYR H . 17319 1 307 . 1 1 26 26 TYR HA H 1 4.606 0.024 . 1 . . . . 26 TYR HA . 17319 1 308 . 1 1 26 26 TYR HB2 H 1 2.769 0.024 . 2 . . . . 26 TYR HB2 . 17319 1 309 . 1 1 26 26 TYR HB3 H 1 2.687 0.024 . 2 . . . . 26 TYR HB3 . 17319 1 310 . 1 1 26 26 TYR HD1 H 1 7.040 0.024 . 3 . . . . 26 TYR QD . 17319 1 311 . 1 1 26 26 TYR HD2 H 1 7.040 0.024 . 3 . . . . 26 TYR QD . 17319 1 312 . 1 1 26 26 TYR HE1 H 1 6.631 0.024 . 3 . . . . 26 TYR QE . 17319 1 313 . 1 1 26 26 TYR HE2 H 1 6.631 0.024 . 3 . . . . 26 TYR QE . 17319 1 314 . 1 1 26 26 TYR CA C 13 57.031 0.15 . 1 . . . . 26 TYR CA . 17319 1 315 . 1 1 26 26 TYR CB C 13 42.374 0.15 . 1 . . . . 26 TYR CB . 17319 1 316 . 1 1 26 26 TYR CD1 C 13 134.171 0.15 . 3 . . . . 26 TYR CD1 . 17319 1 317 . 1 1 26 26 TYR CE1 C 13 117.465 0.15 . 3 . . . . 26 TYR CE1 . 17319 1 318 . 1 1 26 26 TYR N N 15 123.035 0.12 . 1 . . . . 26 TYR N . 17319 1 319 . 1 1 27 27 ASP H H 1 8.693 0.024 . 1 . . . . 27 ASP H . 17319 1 320 . 1 1 27 27 ASP HA H 1 5.006 0.024 . 1 . . . . 27 ASP HA . 17319 1 321 . 1 1 27 27 ASP HB2 H 1 2.435 0.024 . 2 . . . . 27 ASP HB2 . 17319 1 322 . 1 1 27 27 ASP HB3 H 1 2.165 0.024 . 2 . . . . 27 ASP HB3 . 17319 1 323 . 1 1 27 27 ASP CA C 13 53.178 0.15 . 1 . . . . 27 ASP CA . 17319 1 324 . 1 1 27 27 ASP CB C 13 42.200 0.15 . 1 . . . . 27 ASP CB . 17319 1 325 . 1 1 27 27 ASP N N 15 123.090 0.12 . 1 . . . . 27 ASP N . 17319 1 326 . 1 1 28 28 LEU H H 1 9.365 0.024 . 1 . . . . 28 LEU H . 17319 1 327 . 1 1 28 28 LEU HA H 1 4.767 0.024 . 1 . . . . 28 LEU HA . 17319 1 328 . 1 1 28 28 LEU HB2 H 1 1.106 0.024 . 2 . . . . 28 LEU HB2 . 17319 1 329 . 1 1 28 28 LEU HB3 H 1 2.137 0.024 . 2 . . . . 28 LEU HB3 . 17319 1 330 . 1 1 28 28 LEU HG H 1 1.606 0.024 . 1 . . . . 28 LEU HG . 17319 1 331 . 1 1 28 28 LEU HD11 H 1 0.666 0.024 . 2 . . . . 28 LEU QD1 . 17319 1 332 . 1 1 28 28 LEU HD12 H 1 0.666 0.024 . 2 . . . . 28 LEU QD1 . 17319 1 333 . 1 1 28 28 LEU HD13 H 1 0.666 0.024 . 2 . . . . 28 LEU QD1 . 17319 1 334 . 1 1 28 28 LEU HD21 H 1 0.841 0.024 . 2 . . . . 28 LEU QD2 . 17319 1 335 . 1 1 28 28 LEU HD22 H 1 0.841 0.024 . 2 . . . . 28 LEU QD2 . 17319 1 336 . 1 1 28 28 LEU HD23 H 1 0.841 0.024 . 2 . . . . 28 LEU QD2 . 17319 1 337 . 1 1 28 28 LEU CA C 13 51.338 0.15 . 1 . . . . 28 LEU CA . 17319 1 338 . 1 1 28 28 LEU CB C 13 43.025 0.15 . 1 . . . . 28 LEU CB . 17319 1 339 . 1 1 28 28 LEU CG C 13 27.684 0.15 . 1 . . . . 28 LEU CG . 17319 1 340 . 1 1 28 28 LEU CD1 C 13 25.182 0.15 . 2 . . . . 28 LEU CD1 . 17319 1 341 . 1 1 28 28 LEU CD2 C 13 26.500 0.15 . 2 . . . . 28 LEU CD2 . 17319 1 342 . 1 1 28 28 LEU N N 15 124.697 0.12 . 1 . . . . 28 LEU N . 17319 1 343 . 1 1 29 29 PRO HA H 1 4.638 0.024 . 1 . . . . 29 PRO HA . 17319 1 344 . 1 1 29 29 PRO HB2 H 1 2.585 0.024 . 2 . . . . 29 PRO HB2 . 17319 1 345 . 1 1 29 29 PRO HB3 H 1 1.680 0.024 . 2 . . . . 29 PRO HB3 . 17319 1 346 . 1 1 29 29 PRO HG2 H 1 1.816 0.024 . 2 . . . . 29 PRO HG2 . 17319 1 347 . 1 1 29 29 PRO HG3 H 1 1.771 0.024 . 2 . . . . 29 PRO HG3 . 17319 1 348 . 1 1 29 29 PRO HD2 H 1 3.954 0.024 . 2 . . . . 29 PRO HD2 . 17319 1 349 . 1 1 29 29 PRO HD3 H 1 3.074 0.024 . 2 . . . . 29 PRO HD3 . 17319 1 350 . 1 1 29 29 PRO C C 13 177.520 0.15 . 1 . . . . 29 PRO C . 17319 1 351 . 1 1 29 29 PRO CA C 13 62.393 0.15 . 1 . . . . 29 PRO CA . 17319 1 352 . 1 1 29 29 PRO CB C 13 33.536 0.15 . 1 . . . . 29 PRO CB . 17319 1 353 . 1 1 29 29 PRO CG C 13 27.812 0.15 . 1 . . . . 29 PRO CG . 17319 1 354 . 1 1 29 29 PRO CD C 13 51.237 0.15 . 1 . . . . 29 PRO CD . 17319 1 355 . 1 1 30 30 ALA H H 1 9.020 0.024 . 1 . . . . 30 ALA H . 17319 1 356 . 1 1 30 30 ALA HA H 1 3.917 0.024 . 1 . . . . 30 ALA HA . 17319 1 357 . 1 1 30 30 ALA HB1 H 1 1.460 0.024 . 1 . . . . 30 ALA QB . 17319 1 358 . 1 1 30 30 ALA HB2 H 1 1.460 0.024 . 1 . . . . 30 ALA QB . 17319 1 359 . 1 1 30 30 ALA HB3 H 1 1.460 0.024 . 1 . . . . 30 ALA QB . 17319 1 360 . 1 1 30 30 ALA C C 13 178.706 0.15 . 1 . . . . 30 ALA C . 17319 1 361 . 1 1 30 30 ALA CA C 13 56.237 0.15 . 1 . . . . 30 ALA CA . 17319 1 362 . 1 1 30 30 ALA CB C 13 20.250 0.15 . 1 . . . . 30 ALA CB . 17319 1 363 . 1 1 30 30 ALA N N 15 125.956 0.12 . 1 . . . . 30 ALA N . 17319 1 364 . 1 1 31 31 GLU H H 1 9.166 0.024 . 1 . . . . 31 GLU H . 17319 1 365 . 1 1 31 31 GLU HA H 1 3.554 0.024 . 1 . . . . 31 GLU HA . 17319 1 366 . 1 1 31 31 GLU HB2 H 1 1.809 0.024 . 2 . . . . 31 GLU HB2 . 17319 1 367 . 1 1 31 31 GLU HB3 H 1 2.121 0.024 . 2 . . . . 31 GLU HB3 . 17319 1 368 . 1 1 31 31 GLU HG2 H 1 1.971 0.024 . 2 . . . . 31 GLU HG2 . 17319 1 369 . 1 1 31 31 GLU HG3 H 1 2.112 0.024 . 2 . . . . 31 GLU HG3 . 17319 1 370 . 1 1 31 31 GLU C C 13 177.039 0.15 . 1 . . . . 31 GLU C . 17319 1 371 . 1 1 31 31 GLU CA C 13 60.022 0.15 . 1 . . . . 31 GLU CA . 17319 1 372 . 1 1 31 31 GLU CB C 13 30.309 0.15 . 1 . . . . 31 GLU CB . 17319 1 373 . 1 1 31 31 GLU CG C 13 35.728 0.15 . 1 . . . . 31 GLU CG . 17319 1 374 . 1 1 31 31 GLU N N 15 118.196 0.12 . 1 . . . . 31 GLU N . 17319 1 375 . 1 1 32 32 PHE H H 1 6.291 0.024 . 1 . . . . 32 PHE H . 17319 1 376 . 1 1 32 32 PHE HA H 1 3.954 0.024 . 1 . . . . 32 PHE HA . 17319 1 377 . 1 1 32 32 PHE HB2 H 1 2.918 0.024 . 2 . . . . 32 PHE HB2 . 17319 1 378 . 1 1 32 32 PHE HB3 H 1 3.163 0.024 . 2 . . . . 32 PHE HB3 . 17319 1 379 . 1 1 32 32 PHE HD1 H 1 7.075 0.024 . 3 . . . . 32 PHE QD . 17319 1 380 . 1 1 32 32 PHE HD2 H 1 7.075 0.024 . 3 . . . . 32 PHE QD . 17319 1 381 . 1 1 32 32 PHE HE1 H 1 7.108 0.024 . 3 . . . . 32 PHE QE . 17319 1 382 . 1 1 32 32 PHE HE2 H 1 7.108 0.024 . 3 . . . . 32 PHE QE . 17319 1 383 . 1 1 32 32 PHE C C 13 177.590 0.15 . 1 . . . . 32 PHE C . 17319 1 384 . 1 1 32 32 PHE CA C 13 61.609 0.15 . 1 . . . . 32 PHE CA . 17319 1 385 . 1 1 32 32 PHE CB C 13 38.732 0.15 . 1 . . . . 32 PHE CB . 17319 1 386 . 1 1 32 32 PHE CD1 C 13 130.735 0.15 . 3 . . . . 32 PHE CD1 . 17319 1 387 . 1 1 32 32 PHE CE1 C 13 132.030 0.15 . 3 . . . . 32 PHE CE1 . 17319 1 388 . 1 1 32 32 PHE N N 15 115.356 0.12 . 1 . . . . 32 PHE N . 17319 1 389 . 1 1 33 33 LEU H H 1 7.962 0.024 . 1 . . . . 33 LEU H . 17319 1 390 . 1 1 33 33 LEU HA H 1 3.734 0.024 . 1 . . . . 33 LEU HA . 17319 1 391 . 1 1 33 33 LEU HB2 H 1 2.072 0.024 . 2 . . . . 33 LEU HB2 . 17319 1 392 . 1 1 33 33 LEU HB3 H 1 1.276 0.024 . 2 . . . . 33 LEU HB3 . 17319 1 393 . 1 1 33 33 LEU HG H 1 1.623 0.024 . 1 . . . . 33 LEU HG . 17319 1 394 . 1 1 33 33 LEU HD11 H 1 0.708 0.024 . 2 . . . . 33 LEU QD1 . 17319 1 395 . 1 1 33 33 LEU HD12 H 1 0.708 0.024 . 2 . . . . 33 LEU QD1 . 17319 1 396 . 1 1 33 33 LEU HD13 H 1 0.708 0.024 . 2 . . . . 33 LEU QD1 . 17319 1 397 . 1 1 33 33 LEU HD21 H 1 0.593 0.024 . 2 . . . . 33 LEU QD2 . 17319 1 398 . 1 1 33 33 LEU HD22 H 1 0.593 0.024 . 2 . . . . 33 LEU QD2 . 17319 1 399 . 1 1 33 33 LEU HD23 H 1 0.593 0.024 . 2 . . . . 33 LEU QD2 . 17319 1 400 . 1 1 33 33 LEU C C 13 177.326 0.15 . 1 . . . . 33 LEU C . 17319 1 401 . 1 1 33 33 LEU CA C 13 58.227 0.15 . 1 . . . . 33 LEU CA . 17319 1 402 . 1 1 33 33 LEU CB C 13 42.775 0.15 . 1 . . . . 33 LEU CB . 17319 1 403 . 1 1 33 33 LEU CG C 13 27.225 0.15 . 1 . . . . 33 LEU CG . 17319 1 404 . 1 1 33 33 LEU CD1 C 13 27.451 0.15 . 2 . . . . 33 LEU CD1 . 17319 1 405 . 1 1 33 33 LEU CD2 C 13 23.103 0.15 . 2 . . . . 33 LEU CD2 . 17319 1 406 . 1 1 33 33 LEU N N 15 119.865 0.12 . 1 . . . . 33 LEU N . 17319 1 407 . 1 1 34 34 ARG H H 1 8.662 0.024 . 1 . . . . 34 ARG H . 17319 1 408 . 1 1 34 34 ARG HA H 1 3.175 0.024 . 1 . . . . 34 ARG HA . 17319 1 409 . 1 1 34 34 ARG HB2 H 1 1.041 0.024 . 2 . . . . 34 ARG HB2 . 17319 1 410 . 1 1 34 34 ARG HB3 H 1 1.627 0.024 . 2 . . . . 34 ARG HB3 . 17319 1 411 . 1 1 34 34 ARG HG2 H 1 0.718 0.024 . 2 . . . . 34 ARG QG . 17319 1 412 . 1 1 34 34 ARG HG3 H 1 0.718 0.024 . 2 . . . . 34 ARG QG . 17319 1 413 . 1 1 34 34 ARG HD2 H 1 2.109 0.024 . 2 . . . . 34 ARG HD2 . 17319 1 414 . 1 1 34 34 ARG HD3 H 1 1.744 0.024 . 2 . . . . 34 ARG HD3 . 17319 1 415 . 1 1 34 34 ARG HE H 1 10.256 0.024 . 1 . . . . 34 ARG HE . 17319 1 416 . 1 1 34 34 ARG C C 13 180.116 0.15 . 1 . . . . 34 ARG C . 17319 1 417 . 1 1 34 34 ARG CA C 13 57.471 0.15 . 1 . . . . 34 ARG CA . 17319 1 418 . 1 1 34 34 ARG CB C 13 29.033 0.15 . 1 . . . . 34 ARG CB . 17319 1 419 . 1 1 34 34 ARG CG C 13 27.667 0.15 . 1 . . . . 34 ARG CG . 17319 1 420 . 1 1 34 34 ARG CD C 13 40.335 0.15 . 1 . . . . 34 ARG CD . 17319 1 421 . 1 1 34 34 ARG N N 15 117.517 0.12 . 1 . . . . 34 ARG N . 17319 1 422 . 1 1 34 34 ARG NE N 15 88.640 0.12 . 1 . . . . 34 ARG NE . 17319 1 423 . 1 1 35 35 VAL H H 1 7.880 0.024 . 1 . . . . 35 VAL H . 17319 1 424 . 1 1 35 35 VAL HA H 1 3.675 0.024 . 1 . . . . 35 VAL HA . 17319 1 425 . 1 1 35 35 VAL HB H 1 1.910 0.024 . 1 . . . . 35 VAL HB . 17319 1 426 . 1 1 35 35 VAL HG11 H 1 -0.023 0.024 . 2 . . . . 35 VAL QG1 . 17319 1 427 . 1 1 35 35 VAL HG12 H 1 -0.023 0.024 . 2 . . . . 35 VAL QG1 . 17319 1 428 . 1 1 35 35 VAL HG13 H 1 -0.023 0.024 . 2 . . . . 35 VAL QG1 . 17319 1 429 . 1 1 35 35 VAL HG21 H 1 0.592 0.024 . 2 . . . . 35 VAL QG2 . 17319 1 430 . 1 1 35 35 VAL HG22 H 1 0.592 0.024 . 2 . . . . 35 VAL QG2 . 17319 1 431 . 1 1 35 35 VAL HG23 H 1 0.592 0.024 . 2 . . . . 35 VAL QG2 . 17319 1 432 . 1 1 35 35 VAL C C 13 175.234 0.15 . 1 . . . . 35 VAL C . 17319 1 433 . 1 1 35 35 VAL CA C 13 63.075 0.15 . 1 . . . . 35 VAL CA . 17319 1 434 . 1 1 35 35 VAL CB C 13 31.102 0.15 . 1 . . . . 35 VAL CB . 17319 1 435 . 1 1 35 35 VAL CG1 C 13 16.866 0.15 . 2 . . . . 35 VAL CG1 . 17319 1 436 . 1 1 35 35 VAL CG2 C 13 20.278 0.15 . 2 . . . . 35 VAL CG2 . 17319 1 437 . 1 1 35 35 VAL N N 15 111.173 0.12 . 1 . . . . 35 VAL N . 17319 1 438 . 1 1 36 36 HIS H H 1 6.886 0.024 . 1 . . . . 36 HIS H . 17319 1 439 . 1 1 36 36 HIS HA H 1 4.470 0.024 . 1 . . . . 36 HIS HA . 17319 1 440 . 1 1 36 36 HIS HB2 H 1 3.576 0.024 . 2 . . . . 36 HIS HB2 . 17319 1 441 . 1 1 36 36 HIS HB3 H 1 2.295 0.024 . 2 . . . . 36 HIS HB3 . 17319 1 442 . 1 1 36 36 HIS HD2 H 1 6.928 0.024 . 1 . . . . 36 HIS HD2 . 17319 1 443 . 1 1 36 36 HIS C C 13 174.018 0.15 . 1 . . . . 36 HIS C . 17319 1 444 . 1 1 36 36 HIS CA C 13 57.478 0.15 . 1 . . . . 36 HIS CA . 17319 1 445 . 1 1 36 36 HIS CB C 13 28.527 0.15 . 1 . . . . 36 HIS CB . 17319 1 446 . 1 1 36 36 HIS CD2 C 13 126.195 0.15 . 1 . . . . 36 HIS CD2 . 17319 1 447 . 1 1 36 36 HIS N N 15 116.692 0.12 . 1 . . . . 36 HIS N . 17319 1 448 . 1 1 37 37 SER H H 1 6.864 0.024 . 1 . . . . 37 SER H . 17319 1 449 . 1 1 37 37 SER HA H 1 4.534 0.024 . 1 . . . . 37 SER HA . 17319 1 450 . 1 1 37 37 SER HB2 H 1 3.986 0.024 . 2 . . . . 37 SER HB2 . 17319 1 451 . 1 1 37 37 SER HB3 H 1 3.732 0.024 . 2 . . . . 37 SER HB3 . 17319 1 452 . 1 1 37 37 SER CA C 13 56.394 0.15 . 1 . . . . 37 SER CA . 17319 1 453 . 1 1 37 37 SER CB C 13 63.731 0.15 . 1 . . . . 37 SER CB . 17319 1 454 . 1 1 37 37 SER N N 15 117.430 0.12 . 1 . . . . 37 SER N . 17319 1 455 . 1 1 38 38 PRO HA H 1 4.260 0.024 . 1 . . . . 38 PRO HA . 17319 1 456 . 1 1 38 38 PRO HB2 H 1 1.710 0.024 . 2 . . . . 38 PRO HB2 . 17319 1 457 . 1 1 38 38 PRO HB3 H 1 1.592 0.024 . 2 . . . . 38 PRO HB3 . 17319 1 458 . 1 1 38 38 PRO HG2 H 1 1.422 0.024 . 2 . . . . 38 PRO HG2 . 17319 1 459 . 1 1 38 38 PRO HG3 H 1 1.145 0.024 . 2 . . . . 38 PRO HG3 . 17319 1 460 . 1 1 38 38 PRO HD2 H 1 2.913 0.024 . 2 . . . . 38 PRO HD2 . 17319 1 461 . 1 1 38 38 PRO HD3 H 1 2.798 0.024 . 2 . . . . 38 PRO HD3 . 17319 1 462 . 1 1 38 38 PRO C C 13 176.654 0.15 . 1 . . . . 38 PRO C . 17319 1 463 . 1 1 38 38 PRO CA C 13 62.851 0.15 . 1 . . . . 38 PRO CA . 17319 1 464 . 1 1 38 38 PRO CB C 13 32.066 0.15 . 1 . . . . 38 PRO CB . 17319 1 465 . 1 1 38 38 PRO CG C 13 27.340 0.15 . 1 . . . . 38 PRO CG . 17319 1 466 . 1 1 38 38 PRO CD C 13 50.212 0.15 . 1 . . . . 38 PRO CD . 17319 1 467 . 1 1 39 39 SER H H 1 8.158 0.024 . 1 . . . . 39 SER H . 17319 1 468 . 1 1 39 39 SER HA H 1 4.354 0.024 . 1 . . . . 39 SER HA . 17319 1 469 . 1 1 39 39 SER HB2 H 1 3.754 0.024 . 2 . . . . 39 SER HB2 . 17319 1 470 . 1 1 39 39 SER HB3 H 1 3.814 0.024 . 2 . . . . 39 SER HB3 . 17319 1 471 . 1 1 39 39 SER C C 13 174.404 0.15 . 1 . . . . 39 SER C . 17319 1 472 . 1 1 39 39 SER CA C 13 57.978 0.15 . 1 . . . . 39 SER CA . 17319 1 473 . 1 1 39 39 SER CB C 13 63.947 0.15 . 1 . . . . 39 SER CB . 17319 1 474 . 1 1 39 39 SER N N 15 116.237 0.12 . 1 . . . . 39 SER N . 17319 1 475 . 1 1 40 40 ALA H H 1 8.451 0.024 . 1 . . . . 40 ALA H . 17319 1 476 . 1 1 40 40 ALA HA H 1 4.165 0.024 . 1 . . . . 40 ALA HA . 17319 1 477 . 1 1 40 40 ALA HB1 H 1 1.286 0.024 . 1 . . . . 40 ALA QB . 17319 1 478 . 1 1 40 40 ALA HB2 H 1 1.286 0.024 . 1 . . . . 40 ALA QB . 17319 1 479 . 1 1 40 40 ALA HB3 H 1 1.286 0.024 . 1 . . . . 40 ALA QB . 17319 1 480 . 1 1 40 40 ALA C C 13 177.853 0.15 . 1 . . . . 40 ALA C . 17319 1 481 . 1 1 40 40 ALA CA C 13 52.993 0.15 . 1 . . . . 40 ALA CA . 17319 1 482 . 1 1 40 40 ALA CB C 13 19.339 0.15 . 1 . . . . 40 ALA CB . 17319 1 483 . 1 1 40 40 ALA N N 15 127.229 0.12 . 1 . . . . 40 ALA N . 17319 1 484 . 1 1 41 41 GLU H H 1 8.262 0.024 . 1 . . . . 41 GLU H . 17319 1 485 . 1 1 41 41 GLU HA H 1 4.140 0.024 . 1 . . . . 41 GLU HA . 17319 1 486 . 1 1 41 41 GLU HB2 H 1 1.829 0.024 . 2 . . . . 41 GLU HB2 . 17319 1 487 . 1 1 41 41 GLU HB3 H 1 1.931 0.024 . 2 . . . . 41 GLU HB3 . 17319 1 488 . 1 1 41 41 GLU HG2 H 1 2.149 0.024 . 2 . . . . 41 GLU HG2 . 17319 1 489 . 1 1 41 41 GLU HG3 H 1 2.171 0.024 . 2 . . . . 41 GLU HG3 . 17319 1 490 . 1 1 41 41 GLU C C 13 176.518 0.15 . 1 . . . . 41 GLU C . 17319 1 491 . 1 1 41 41 GLU CA C 13 57.025 0.15 . 1 . . . . 41 GLU CA . 17319 1 492 . 1 1 41 41 GLU CB C 13 30.384 0.15 . 1 . . . . 41 GLU CB . 17319 1 493 . 1 1 41 41 GLU CG C 13 36.449 0.15 . 1 . . . . 41 GLU CG . 17319 1 494 . 1 1 41 41 GLU N N 15 118.957 0.12 . 1 . . . . 41 GLU N . 17319 1 495 . 1 1 42 42 VAL H H 1 7.875 0.024 . 1 . . . . 42 VAL H . 17319 1 496 . 1 1 42 42 VAL HA H 1 4.008 0.024 . 1 . . . . 42 VAL HA . 17319 1 497 . 1 1 42 42 VAL HB H 1 1.948 0.024 . 1 . . . . 42 VAL HB . 17319 1 498 . 1 1 42 42 VAL HG11 H 1 0.787 0.024 . 2 . . . . 42 VAL QQG . 17319 1 499 . 1 1 42 42 VAL HG12 H 1 0.787 0.024 . 2 . . . . 42 VAL QQG . 17319 1 500 . 1 1 42 42 VAL HG13 H 1 0.787 0.024 . 2 . . . . 42 VAL QQG . 17319 1 501 . 1 1 42 42 VAL HG21 H 1 0.787 0.024 . 2 . . . . 42 VAL QQG . 17319 1 502 . 1 1 42 42 VAL HG22 H 1 0.787 0.024 . 2 . . . . 42 VAL QQG . 17319 1 503 . 1 1 42 42 VAL HG23 H 1 0.787 0.024 . 2 . . . . 42 VAL QQG . 17319 1 504 . 1 1 42 42 VAL C C 13 176.069 0.15 . 1 . . . . 42 VAL C . 17319 1 505 . 1 1 42 42 VAL CA C 13 62.436 0.15 . 1 . . . . 42 VAL CA . 17319 1 506 . 1 1 42 42 VAL CB C 13 32.980 0.15 . 1 . . . . 42 VAL CB . 17319 1 507 . 1 1 42 42 VAL CG2 C 13 21.174 0.15 . 2 . . . . 42 VAL CG2 . 17319 1 508 . 1 1 42 42 VAL N N 15 119.639 0.12 . 1 . . . . 42 VAL N . 17319 1 509 . 1 1 43 43 GLN H H 1 8.350 0.024 . 1 . . . . 43 GLN H . 17319 1 510 . 1 1 43 43 GLN HA H 1 4.181 0.024 . 1 . . . . 43 GLN HA . 17319 1 511 . 1 1 43 43 GLN HB2 H 1 2.011 0.024 . 2 . . . . 43 GLN QB . 17319 1 512 . 1 1 43 43 GLN HB3 H 1 2.011 0.024 . 2 . . . . 43 GLN QB . 17319 1 513 . 1 1 43 43 GLN HG2 H 1 2.262 0.024 . 2 . . . . 43 GLN QG . 17319 1 514 . 1 1 43 43 GLN HG3 H 1 2.262 0.024 . 2 . . . . 43 GLN QG . 17319 1 515 . 1 1 43 43 GLN HE21 H 1 6.768 0.024 . 2 . . . . 43 GLN HE21 . 17319 1 516 . 1 1 43 43 GLN HE22 H 1 7.429 0.024 . 2 . . . . 43 GLN HE22 . 17319 1 517 . 1 1 43 43 GLN C C 13 176.638 0.15 . 1 . . . . 43 GLN C . 17319 1 518 . 1 1 43 43 GLN CA C 13 56.154 0.15 . 1 . . . . 43 GLN CA . 17319 1 519 . 1 1 43 43 GLN CB C 13 29.194 0.15 . 1 . . . . 43 GLN CB . 17319 1 520 . 1 1 43 43 GLN CG C 13 33.938 0.15 . 1 . . . . 43 GLN CG . 17319 1 521 . 1 1 43 43 GLN N N 15 121.993 0.12 . 1 . . . . 43 GLN N . 17319 1 522 . 1 1 43 43 GLN NE2 N 15 112.373 0.12 . 1 . . . . 43 GLN NE2 . 17319 1 523 . 1 1 44 44 GLY H H 1 8.263 0.024 . 1 . . . . 44 GLY H . 17319 1 524 . 1 1 44 44 GLY HA2 H 1 3.862 0.024 . 2 . . . . 44 GLY HA2 . 17319 1 525 . 1 1 44 44 GLY HA3 H 1 3.721 0.024 . 2 . . . . 44 GLY HA3 . 17319 1 526 . 1 1 44 44 GLY C C 13 174.115 0.15 . 1 . . . . 44 GLY C . 17319 1 527 . 1 1 44 44 GLY CA C 13 45.836 0.15 . 1 . . . . 44 GLY CA . 17319 1 528 . 1 1 44 44 GLY N N 15 109.114 0.12 . 1 . . . . 44 GLY N . 17319 1 529 . 1 1 45 45 HIS H H 1 8.265 0.024 . 1 . . . . 45 HIS H . 17319 1 530 . 1 1 45 45 HIS HA H 1 4.572 0.024 . 1 . . . . 45 HIS HA . 17319 1 531 . 1 1 45 45 HIS HB2 H 1 3.214 0.024 . 2 . . . . 45 HIS HB2 . 17319 1 532 . 1 1 45 45 HIS HB3 H 1 3.050 0.024 . 2 . . . . 45 HIS HB3 . 17319 1 533 . 1 1 45 45 HIS HD2 H 1 7.123 0.024 . 1 . . . . 45 HIS HD2 . 17319 1 534 . 1 1 45 45 HIS HE1 H 1 8.336 0.024 . 1 . . . . 45 HIS HE1 . 17319 1 535 . 1 1 45 45 HIS C C 13 174.815 0.15 . 1 . . . . 45 HIS C . 17319 1 536 . 1 1 45 45 HIS CA C 13 55.410 0.15 . 1 . . . . 45 HIS CA . 17319 1 537 . 1 1 45 45 HIS CB C 13 29.163 0.15 . 1 . . . . 45 HIS CB . 17319 1 538 . 1 1 45 45 HIS CD2 C 13 120.109 0.15 . 1 . . . . 45 HIS CD2 . 17319 1 539 . 1 1 45 45 HIS CE1 C 13 136.920 0.15 . 1 . . . . 45 HIS CE1 . 17319 1 540 . 1 1 45 45 HIS N N 15 118.219 0.12 . 1 . . . . 45 HIS N . 17319 1 541 . 1 1 46 46 GLY H H 1 8.207 0.024 . 1 . . . . 46 GLY H . 17319 1 542 . 1 1 46 46 GLY HA2 H 1 3.932 0.024 . 2 . . . . 46 GLY HA2 . 17319 1 543 . 1 1 46 46 GLY HA3 H 1 3.784 0.024 . 2 . . . . 46 GLY HA3 . 17319 1 544 . 1 1 46 46 GLY C C 13 173.223 0.15 . 1 . . . . 46 GLY C . 17319 1 545 . 1 1 46 46 GLY CA C 13 45.268 0.15 . 1 . . . . 46 GLY CA . 17319 1 546 . 1 1 46 46 GLY N N 15 108.920 0.12 . 1 . . . . 46 GLY N . 17319 1 547 . 1 1 47 47 ASN H H 1 8.152 0.024 . 1 . . . . 47 ASN H . 17319 1 548 . 1 1 47 47 ASN HA H 1 4.936 0.024 . 1 . . . . 47 ASN HA . 17319 1 549 . 1 1 47 47 ASN HB2 H 1 2.554 0.024 . 2 . . . . 47 ASN HB2 . 17319 1 550 . 1 1 47 47 ASN HB3 H 1 2.723 0.024 . 2 . . . . 47 ASN HB3 . 17319 1 551 . 1 1 47 47 ASN HD21 H 1 7.511 0.024 . 2 . . . . 47 ASN HD21 . 17319 1 552 . 1 1 47 47 ASN HD22 H 1 6.838 0.024 . 2 . . . . 47 ASN HD22 . 17319 1 553 . 1 1 47 47 ASN CA C 13 51.280 0.15 . 1 . . . . 47 ASN CA . 17319 1 554 . 1 1 47 47 ASN CB C 13 38.949 0.15 . 1 . . . . 47 ASN CB . 17319 1 555 . 1 1 47 47 ASN N N 15 119.471 0.12 . 1 . . . . 47 ASN N . 17319 1 556 . 1 1 47 47 ASN ND2 N 15 113.133 0.12 . 1 . . . . 47 ASN ND2 . 17319 1 557 . 1 1 48 48 PRO HA H 1 4.365 0.024 . 1 . . . . 48 PRO HA . 17319 1 558 . 1 1 48 48 PRO HB2 H 1 2.161 0.024 . 2 . . . . 48 PRO HB2 . 17319 1 559 . 1 1 48 48 PRO HB3 H 1 1.816 0.024 . 2 . . . . 48 PRO HB3 . 17319 1 560 . 1 1 48 48 PRO HG2 H 1 1.958 0.024 . 2 . . . . 48 PRO HG2 . 17319 1 561 . 1 1 48 48 PRO HG3 H 1 1.906 0.024 . 2 . . . . 48 PRO HG3 . 17319 1 562 . 1 1 48 48 PRO HD2 H 1 3.618 0.024 . 2 . . . . 48 PRO HD2 . 17319 1 563 . 1 1 48 48 PRO HD3 H 1 3.711 0.024 . 2 . . . . 48 PRO HD3 . 17319 1 564 . 1 1 48 48 PRO C C 13 172.644 0.15 . 1 . . . . 48 PRO C . 17319 1 565 . 1 1 48 48 PRO CA C 13 63.192 0.15 . 1 . . . . 48 PRO CA . 17319 1 566 . 1 1 48 48 PRO CB C 13 32.432 0.15 . 1 . . . . 48 PRO CB . 17319 1 567 . 1 1 48 48 PRO CG C 13 27.583 0.15 . 1 . . . . 48 PRO CG . 17319 1 568 . 1 1 48 48 PRO CD C 13 50.864 0.15 . 1 . . . . 48 PRO CD . 17319 1 569 . 1 1 49 49 VAL H H 1 8.206 0.024 . 1 . . . . 49 VAL H . 17319 1 570 . 1 1 49 49 VAL HA H 1 3.948 0.024 . 1 . . . . 49 VAL HA . 17319 1 571 . 1 1 49 49 VAL HB H 1 1.879 0.024 . 1 . . . . 49 VAL HB . 17319 1 572 . 1 1 49 49 VAL HG11 H 1 0.830 0.024 . 2 . . . . 49 VAL QQG . 17319 1 573 . 1 1 49 49 VAL HG12 H 1 0.830 0.024 . 2 . . . . 49 VAL QQG . 17319 1 574 . 1 1 49 49 VAL HG13 H 1 0.830 0.024 . 2 . . . . 49 VAL QQG . 17319 1 575 . 1 1 49 49 VAL HG21 H 1 0.830 0.024 . 2 . . . . 49 VAL QQG . 17319 1 576 . 1 1 49 49 VAL HG22 H 1 0.830 0.024 . 2 . . . . 49 VAL QQG . 17319 1 577 . 1 1 49 49 VAL HG23 H 1 0.830 0.024 . 2 . . . . 49 VAL QQG . 17319 1 578 . 1 1 49 49 VAL C C 13 175.968 0.15 . 1 . . . . 49 VAL C . 17319 1 579 . 1 1 49 49 VAL CA C 13 61.827 0.15 . 1 . . . . 49 VAL CA . 17319 1 580 . 1 1 49 49 VAL CB C 13 33.218 0.15 . 1 . . . . 49 VAL CB . 17319 1 581 . 1 1 49 49 VAL CG2 C 13 21.113 0.15 . 2 . . . . 49 VAL CG2 . 17319 1 582 . 1 1 49 49 VAL N N 15 121.464 0.12 . 1 . . . . 49 VAL N . 17319 1 583 . 1 1 50 50 LEU H H 1 8.203 0.024 . 1 . . . . 50 LEU H . 17319 1 584 . 1 1 50 50 LEU HA H 1 4.156 0.024 . 1 . . . . 50 LEU HA . 17319 1 585 . 1 1 50 50 LEU HB2 H 1 1.646 0.024 . 2 . . . . 50 LEU HB2 . 17319 1 586 . 1 1 50 50 LEU HB3 H 1 1.448 0.024 . 2 . . . . 50 LEU HB3 . 17319 1 587 . 1 1 50 50 LEU HG H 1 1.415 0.024 . 1 . . . . 50 LEU HG . 17319 1 588 . 1 1 50 50 LEU HD11 H 1 0.624 0.024 . 2 . . . . 50 LEU QD1 . 17319 1 589 . 1 1 50 50 LEU HD12 H 1 0.624 0.024 . 2 . . . . 50 LEU QD1 . 17319 1 590 . 1 1 50 50 LEU HD13 H 1 0.624 0.024 . 2 . . . . 50 LEU QD1 . 17319 1 591 . 1 1 50 50 LEU HD21 H 1 0.860 0.024 . 2 . . . . 50 LEU QD2 . 17319 1 592 . 1 1 50 50 LEU HD22 H 1 0.860 0.024 . 2 . . . . 50 LEU QD2 . 17319 1 593 . 1 1 50 50 LEU HD23 H 1 0.860 0.024 . 2 . . . . 50 LEU QD2 . 17319 1 594 . 1 1 50 50 LEU C C 13 176.295 0.15 . 1 . . . . 50 LEU C . 17319 1 595 . 1 1 50 50 LEU CA C 13 55.672 0.15 . 1 . . . . 50 LEU CA . 17319 1 596 . 1 1 50 50 LEU CB C 13 42.839 0.15 . 1 . . . . 50 LEU CB . 17319 1 597 . 1 1 50 50 LEU CG C 13 27.038 0.15 . 1 . . . . 50 LEU CG . 17319 1 598 . 1 1 50 50 LEU CD1 C 13 26.718 0.15 . 2 . . . . 50 LEU CD1 . 17319 1 599 . 1 1 50 50 LEU CD2 C 13 23.914 0.15 . 2 . . . . 50 LEU CD2 . 17319 1 600 . 1 1 50 50 LEU N N 15 129.261 0.12 . 1 . . . . 50 LEU N . 17319 1 601 . 1 1 51 51 GLN H H 1 8.882 0.024 . 1 . . . . 51 GLN H . 17319 1 602 . 1 1 51 51 GLN HA H 1 4.361 0.024 . 1 . . . . 51 GLN HA . 17319 1 603 . 1 1 51 51 GLN HB2 H 1 1.741 0.024 . 2 . . . . 51 GLN HB2 . 17319 1 604 . 1 1 51 51 GLN HB3 H 1 1.647 0.024 . 2 . . . . 51 GLN HB3 . 17319 1 605 . 1 1 51 51 GLN HG2 H 1 1.995 0.024 . 2 . . . . 51 GLN HG2 . 17319 1 606 . 1 1 51 51 GLN HG3 H 1 2.379 0.024 . 2 . . . . 51 GLN HG3 . 17319 1 607 . 1 1 51 51 GLN HE21 H 1 7.205 0.024 . 2 . . . . 51 GLN HE21 . 17319 1 608 . 1 1 51 51 GLN HE22 H 1 6.829 0.024 . 2 . . . . 51 GLN HE22 . 17319 1 609 . 1 1 51 51 GLN CA C 13 53.740 0.15 . 1 . . . . 51 GLN CA . 17319 1 610 . 1 1 51 51 GLN CB C 13 30.508 0.15 . 1 . . . . 51 GLN CB . 17319 1 611 . 1 1 51 51 GLN CG C 13 34.010 0.15 . 1 . . . . 51 GLN CG . 17319 1 612 . 1 1 51 51 GLN N N 15 125.765 0.12 . 1 . . . . 51 GLN N . 17319 1 613 . 1 1 51 51 GLN NE2 N 15 114.674 0.12 . 1 . . . . 51 GLN NE2 . 17319 1 614 . 1 1 52 52 TYR H H 1 8.239 0.024 . 1 . . . . 52 TYR H . 17319 1 615 . 1 1 52 52 TYR HA H 1 4.608 0.024 . 1 . . . . 52 TYR HA . 17319 1 616 . 1 1 52 52 TYR HB2 H 1 3.301 0.024 . 2 . . . . 52 TYR HB2 . 17319 1 617 . 1 1 52 52 TYR HB3 H 1 2.489 0.024 . 2 . . . . 52 TYR HB3 . 17319 1 618 . 1 1 52 52 TYR HD1 H 1 6.922 0.024 . 3 . . . . 52 TYR QD . 17319 1 619 . 1 1 52 52 TYR HD2 H 1 6.922 0.024 . 3 . . . . 52 TYR QD . 17319 1 620 . 1 1 52 52 TYR HE1 H 1 6.816 0.024 . 3 . . . . 52 TYR QE . 17319 1 621 . 1 1 52 52 TYR HE2 H 1 6.816 0.024 . 3 . . . . 52 TYR QE . 17319 1 622 . 1 1 52 52 TYR CA C 13 56.072 0.15 . 1 . . . . 52 TYR CA . 17319 1 623 . 1 1 52 52 TYR CB C 13 39.268 0.15 . 1 . . . . 52 TYR CB . 17319 1 624 . 1 1 52 52 TYR CD1 C 13 134.083 0.15 . 3 . . . . 52 TYR CD1 . 17319 1 625 . 1 1 52 52 TYR CE1 C 13 118.683 0.15 . 3 . . . . 52 TYR CE1 . 17319 1 626 . 1 1 52 52 TYR N N 15 119.700 0.12 . 1 . . . . 52 TYR N . 17319 1 627 . 1 1 53 53 GLY H H 1 8.758 0.024 . 1 . . . . 53 GLY H . 17319 1 628 . 1 1 53 53 GLY HA2 H 1 3.566 0.024 . 2 . . . . 53 GLY HA2 . 17319 1 629 . 1 1 53 53 GLY HA3 H 1 3.780 0.024 . 2 . . . . 53 GLY HA3 . 17319 1 630 . 1 1 53 53 GLY CA C 13 47.612 0.15 . 1 . . . . 53 GLY CA . 17319 1 631 . 1 1 53 53 GLY N N 15 106.671 0.12 . 1 . . . . 53 GLY N . 17319 1 632 . 1 1 54 54 LYS H H 1 8.421 0.024 . 1 . . . . 54 LYS H . 17319 1 633 . 1 1 54 54 LYS HA H 1 4.494 0.024 . 1 . . . . 54 LYS HA . 17319 1 634 . 1 1 54 54 LYS HB2 H 1 1.937 0.024 . 2 . . . . 54 LYS HB2 . 17319 1 635 . 1 1 54 54 LYS HB3 H 1 1.773 0.024 . 2 . . . . 54 LYS HB3 . 17319 1 636 . 1 1 54 54 LYS HG2 H 1 0.700 0.024 . 2 . . . . 54 LYS QG . 17319 1 637 . 1 1 54 54 LYS HG3 H 1 0.700 0.024 . 2 . . . . 54 LYS QG . 17319 1 638 . 1 1 54 54 LYS HD2 H 1 1.088 0.024 . 2 . . . . 54 LYS HD2 . 17319 1 639 . 1 1 54 54 LYS HD3 H 1 1.336 0.024 . 2 . . . . 54 LYS HD3 . 17319 1 640 . 1 1 54 54 LYS HE2 H 1 2.322 0.024 . 2 . . . . 54 LYS QE . 17319 1 641 . 1 1 54 54 LYS HE3 H 1 2.322 0.024 . 2 . . . . 54 LYS QE . 17319 1 642 . 1 1 54 54 LYS CA C 13 53.322 0.15 . 1 . . . . 54 LYS CA . 17319 1 643 . 1 1 54 54 LYS CB C 13 30.424 0.15 . 1 . . . . 54 LYS CB . 17319 1 644 . 1 1 54 54 LYS CG C 13 23.930 0.15 . 1 . . . . 54 LYS CG . 17319 1 645 . 1 1 54 54 LYS CD C 13 27.835 0.15 . 1 . . . . 54 LYS CD . 17319 1 646 . 1 1 54 54 LYS CE C 13 42.291 0.15 . 1 . . . . 54 LYS CE . 17319 1 647 . 1 1 54 54 LYS N N 15 116.736 0.12 . 1 . . . . 54 LYS N . 17319 1 648 . 1 1 55 55 LEU H H 1 8.156 0.024 . 1 . . . . 55 LEU H . 17319 1 649 . 1 1 55 55 LEU HA H 1 4.065 0.024 . 1 . . . . 55 LEU HA . 17319 1 650 . 1 1 55 55 LEU HB2 H 1 1.448 0.024 . 2 . . . . 55 LEU HB2 . 17319 1 651 . 1 1 55 55 LEU HB3 H 1 1.318 0.024 . 2 . . . . 55 LEU HB3 . 17319 1 652 . 1 1 55 55 LEU HG H 1 1.431 0.024 . 1 . . . . 55 LEU HG . 17319 1 653 . 1 1 55 55 LEU HD11 H 1 0.818 0.024 . 2 . . . . 55 LEU QD1 . 17319 1 654 . 1 1 55 55 LEU HD12 H 1 0.818 0.024 . 2 . . . . 55 LEU QD1 . 17319 1 655 . 1 1 55 55 LEU HD13 H 1 0.818 0.024 . 2 . . . . 55 LEU QD1 . 17319 1 656 . 1 1 55 55 LEU HD21 H 1 0.933 0.024 . 2 . . . . 55 LEU QD2 . 17319 1 657 . 1 1 55 55 LEU HD22 H 1 0.933 0.024 . 2 . . . . 55 LEU QD2 . 17319 1 658 . 1 1 55 55 LEU HD23 H 1 0.933 0.024 . 2 . . . . 55 LEU QD2 . 17319 1 659 . 1 1 55 55 LEU CA C 13 58.415 0.15 . 1 . . . . 55 LEU CA . 17319 1 660 . 1 1 55 55 LEU CB C 13 45.066 0.15 . 1 . . . . 55 LEU CB . 17319 1 661 . 1 1 55 55 LEU CG C 13 26.683 0.15 . 1 . . . . 55 LEU CG . 17319 1 662 . 1 1 55 55 LEU CD1 C 13 26.748 0.15 . 2 . . . . 55 LEU CD1 . 17319 1 663 . 1 1 55 55 LEU CD2 C 13 23.782 0.15 . 2 . . . . 55 LEU CD2 . 17319 1 664 . 1 1 55 55 LEU N N 15 120.537 0.12 . 1 . . . . 55 LEU N . 17319 1 665 . 1 1 56 56 ASN H H 1 8.640 0.024 . 1 . . . . 56 ASN H . 17319 1 666 . 1 1 56 56 ASN HA H 1 4.784 0.024 . 1 . . . . 56 ASN HA . 17319 1 667 . 1 1 56 56 ASN HB2 H 1 2.509 0.024 . 2 . . . . 56 ASN HB2 . 17319 1 668 . 1 1 56 56 ASN HB3 H 1 2.972 0.024 . 2 . . . . 56 ASN HB3 . 17319 1 669 . 1 1 56 56 ASN HD21 H 1 7.368 0.024 . 2 . . . . 56 ASN HD21 . 17319 1 670 . 1 1 56 56 ASN HD22 H 1 7.115 0.024 . 2 . . . . 56 ASN HD22 . 17319 1 671 . 1 1 56 56 ASN CA C 13 52.570 0.15 . 1 . . . . 56 ASN CA . 17319 1 672 . 1 1 56 56 ASN CB C 13 39.585 0.15 . 1 . . . . 56 ASN CB . 17319 1 673 . 1 1 56 56 ASN N N 15 111.780 0.12 . 1 . . . . 56 ASN N . 17319 1 674 . 1 1 56 56 ASN ND2 N 15 113.422 0.12 . 1 . . . . 56 ASN ND2 . 17319 1 675 . 1 1 57 57 VAL H H 1 7.737 0.024 . 1 . . . . 57 VAL H . 17319 1 676 . 1 1 57 57 VAL HA H 1 4.000 0.024 . 1 . . . . 57 VAL HA . 17319 1 677 . 1 1 57 57 VAL HB H 1 2.091 0.024 . 1 . . . . 57 VAL HB . 17319 1 678 . 1 1 57 57 VAL HG11 H 1 0.823 0.024 . 2 . . . . 57 VAL QG1 . 17319 1 679 . 1 1 57 57 VAL HG12 H 1 0.823 0.024 . 2 . . . . 57 VAL QG1 . 17319 1 680 . 1 1 57 57 VAL HG13 H 1 0.823 0.024 . 2 . . . . 57 VAL QG1 . 17319 1 681 . 1 1 57 57 VAL HG21 H 1 1.200 0.024 . 2 . . . . 57 VAL QG2 . 17319 1 682 . 1 1 57 57 VAL HG22 H 1 1.200 0.024 . 2 . . . . 57 VAL QG2 . 17319 1 683 . 1 1 57 57 VAL HG23 H 1 1.200 0.024 . 2 . . . . 57 VAL QG2 . 17319 1 684 . 1 1 57 57 VAL C C 13 172.429 0.15 . 1 . . . . 57 VAL C . 17319 1 685 . 1 1 57 57 VAL CA C 13 63.267 0.15 . 1 . . . . 57 VAL CA . 17319 1 686 . 1 1 57 57 VAL CB C 13 32.156 0.15 . 1 . . . . 57 VAL CB . 17319 1 687 . 1 1 57 57 VAL CG1 C 13 21.316 0.15 . 2 . . . . 57 VAL CG1 . 17319 1 688 . 1 1 57 57 VAL CG2 C 13 23.570 0.15 . 2 . . . . 57 VAL CG2 . 17319 1 689 . 1 1 57 57 VAL N N 15 123.446 0.12 . 1 . . . . 57 VAL N . 17319 1 690 . 1 1 58 58 GLY H H 1 9.463 0.024 . 1 . . . . 58 GLY H . 17319 1 691 . 1 1 58 58 GLY HA2 H 1 4.470 0.024 . 2 . . . . 58 GLY HA2 . 17319 1 692 . 1 1 58 58 GLY HA3 H 1 3.576 0.024 . 2 . . . . 58 GLY HA3 . 17319 1 693 . 1 1 58 58 GLY C C 13 173.337 0.15 . 1 . . . . 58 GLY C . 17319 1 694 . 1 1 58 58 GLY CA C 13 44.068 0.15 . 1 . . . . 58 GLY CA . 17319 1 695 . 1 1 58 58 GLY N N 15 113.942 0.12 . 1 . . . . 58 GLY N . 17319 1 696 . 1 1 59 59 LEU H H 1 7.701 0.024 . 1 . . . . 59 LEU H . 17319 1 697 . 1 1 59 59 LEU HA H 1 4.423 0.024 . 1 . . . . 59 LEU HA . 17319 1 698 . 1 1 59 59 LEU HB2 H 1 1.206 0.024 . 2 . . . . 59 LEU HB2 . 17319 1 699 . 1 1 59 59 LEU HB3 H 1 1.155 0.024 . 2 . . . . 59 LEU HB3 . 17319 1 700 . 1 1 59 59 LEU HG H 1 1.148 0.024 . 1 . . . . 59 LEU HG . 17319 1 701 . 1 1 59 59 LEU HD11 H 1 0.359 0.024 . 2 . . . . 59 LEU QD1 . 17319 1 702 . 1 1 59 59 LEU HD12 H 1 0.359 0.024 . 2 . . . . 59 LEU QD1 . 17319 1 703 . 1 1 59 59 LEU HD13 H 1 0.359 0.024 . 2 . . . . 59 LEU QD1 . 17319 1 704 . 1 1 59 59 LEU HD21 H 1 0.268 0.024 . 2 . . . . 59 LEU QD2 . 17319 1 705 . 1 1 59 59 LEU HD22 H 1 0.268 0.024 . 2 . . . . 59 LEU QD2 . 17319 1 706 . 1 1 59 59 LEU HD23 H 1 0.268 0.024 . 2 . . . . 59 LEU QD2 . 17319 1 707 . 1 1 59 59 LEU C C 13 175.849 0.15 . 1 . . . . 59 LEU C . 17319 1 708 . 1 1 59 59 LEU CA C 13 54.320 0.15 . 1 . . . . 59 LEU CA . 17319 1 709 . 1 1 59 59 LEU CB C 13 45.093 0.15 . 1 . . . . 59 LEU CB . 17319 1 710 . 1 1 59 59 LEU CG C 13 27.791 0.15 . 1 . . . . 59 LEU CG . 17319 1 711 . 1 1 59 59 LEU CD1 C 13 24.950 0.15 . 2 . . . . 59 LEU CD1 . 17319 1 712 . 1 1 59 59 LEU CD2 C 13 26.579 0.15 . 2 . . . . 59 LEU CD2 . 17319 1 713 . 1 1 59 59 LEU N N 15 121.433 0.12 . 1 . . . . 59 LEU N . 17319 1 714 . 1 1 60 60 VAL H H 1 8.779 0.024 . 1 . . . . 60 VAL H . 17319 1 715 . 1 1 60 60 VAL HA H 1 4.091 0.024 . 1 . . . . 60 VAL HA . 17319 1 716 . 1 1 60 60 VAL HB H 1 1.910 0.024 . 1 . . . . 60 VAL HB . 17319 1 717 . 1 1 60 60 VAL HG11 H 1 0.774 0.024 . 2 . . . . 60 VAL QG1 . 17319 1 718 . 1 1 60 60 VAL HG12 H 1 0.774 0.024 . 2 . . . . 60 VAL QG1 . 17319 1 719 . 1 1 60 60 VAL HG13 H 1 0.774 0.024 . 2 . . . . 60 VAL QG1 . 17319 1 720 . 1 1 60 60 VAL HG21 H 1 0.572 0.024 . 2 . . . . 60 VAL QG2 . 17319 1 721 . 1 1 60 60 VAL HG22 H 1 0.572 0.024 . 2 . . . . 60 VAL QG2 . 17319 1 722 . 1 1 60 60 VAL HG23 H 1 0.572 0.024 . 2 . . . . 60 VAL QG2 . 17319 1 723 . 1 1 60 60 VAL C C 13 175.835 0.15 . 1 . . . . 60 VAL C . 17319 1 724 . 1 1 60 60 VAL CA C 13 62.153 0.15 . 1 . . . . 60 VAL CA . 17319 1 725 . 1 1 60 60 VAL CB C 13 33.041 0.15 . 1 . . . . 60 VAL CB . 17319 1 726 . 1 1 60 60 VAL CG1 C 13 21.923 0.15 . 2 . . . . 60 VAL CG1 . 17319 1 727 . 1 1 60 60 VAL CG2 C 13 19.987 0.15 . 2 . . . . 60 VAL CG2 . 17319 1 728 . 1 1 60 60 VAL N N 15 119.800 0.12 . 1 . . . . 60 VAL N . 17319 1 729 . 1 1 61 61 GLY H H 1 7.229 0.024 . 1 . . . . 61 GLY H . 17319 1 730 . 1 1 61 61 GLY HA2 H 1 4.112 0.024 . 2 . . . . 61 GLY HA2 . 17319 1 731 . 1 1 61 61 GLY HA3 H 1 3.726 0.024 . 2 . . . . 61 GLY HA3 . 17319 1 732 . 1 1 61 61 GLY C C 13 170.615 0.15 . 1 . . . . 61 GLY C . 17319 1 733 . 1 1 61 61 GLY CA C 13 45.875 0.15 . 1 . . . . 61 GLY CA . 17319 1 734 . 1 1 61 61 GLY N N 15 106.458 0.12 . 1 . . . . 61 GLY N . 17319 1 735 . 1 1 62 62 VAL H H 1 8.143 0.024 . 1 . . . . 62 VAL H . 17319 1 736 . 1 1 62 62 VAL HA H 1 4.635 0.024 . 1 . . . . 62 VAL HA . 17319 1 737 . 1 1 62 62 VAL HB H 1 1.802 0.024 . 1 . . . . 62 VAL HB . 17319 1 738 . 1 1 62 62 VAL HG11 H 1 0.687 0.024 . 2 . . . . 62 VAL QQG . 17319 1 739 . 1 1 62 62 VAL HG12 H 1 0.687 0.024 . 2 . . . . 62 VAL QQG . 17319 1 740 . 1 1 62 62 VAL HG13 H 1 0.687 0.024 . 2 . . . . 62 VAL QQG . 17319 1 741 . 1 1 62 62 VAL HG21 H 1 0.687 0.024 . 2 . . . . 62 VAL QQG . 17319 1 742 . 1 1 62 62 VAL HG22 H 1 0.687 0.024 . 2 . . . . 62 VAL QQG . 17319 1 743 . 1 1 62 62 VAL HG23 H 1 0.687 0.024 . 2 . . . . 62 VAL QQG . 17319 1 744 . 1 1 62 62 VAL C C 13 174.004 0.15 . 1 . . . . 62 VAL C . 17319 1 745 . 1 1 62 62 VAL CA C 13 60.666 0.15 . 1 . . . . 62 VAL CA . 17319 1 746 . 1 1 62 62 VAL CB C 13 34.936 0.15 . 1 . . . . 62 VAL CB . 17319 1 747 . 1 1 62 62 VAL CG2 C 13 22.031 0.15 . 2 . . . . 62 VAL CG2 . 17319 1 748 . 1 1 62 62 VAL N N 15 119.079 0.12 . 1 . . . . 62 VAL N . 17319 1 749 . 1 1 63 63 GLU H H 1 8.481 0.024 . 1 . . . . 63 GLU H . 17319 1 750 . 1 1 63 63 GLU HA H 1 4.964 0.024 . 1 . . . . 63 GLU HA . 17319 1 751 . 1 1 63 63 GLU HB2 H 1 1.803 0.024 . 2 . . . . 63 GLU HB2 . 17319 1 752 . 1 1 63 63 GLU HB3 H 1 1.993 0.024 . 2 . . . . 63 GLU HB3 . 17319 1 753 . 1 1 63 63 GLU HG2 H 1 2.071 0.024 . 2 . . . . 63 GLU HG2 . 17319 1 754 . 1 1 63 63 GLU HG3 H 1 2.120 0.024 . 2 . . . . 63 GLU HG3 . 17319 1 755 . 1 1 63 63 GLU CA C 13 53.003 0.15 . 1 . . . . 63 GLU CA . 17319 1 756 . 1 1 63 63 GLU CB C 13 32.902 0.15 . 1 . . . . 63 GLU CB . 17319 1 757 . 1 1 63 63 GLU CG C 13 35.751 0.15 . 1 . . . . 63 GLU CG . 17319 1 758 . 1 1 63 63 GLU N N 15 123.839 0.12 . 1 . . . . 63 GLU N . 17319 1 759 . 1 1 64 64 PRO HA H 1 4.086 0.024 . 1 . . . . 64 PRO HA . 17319 1 760 . 1 1 64 64 PRO HB2 H 1 1.909 0.024 . 2 . . . . 64 PRO QB . 17319 1 761 . 1 1 64 64 PRO HB3 H 1 1.909 0.024 . 2 . . . . 64 PRO QB . 17319 1 762 . 1 1 64 64 PRO HG2 H 1 2.146 0.024 . 2 . . . . 64 PRO QG . 17319 1 763 . 1 1 64 64 PRO HG3 H 1 2.146 0.024 . 2 . . . . 64 PRO QG . 17319 1 764 . 1 1 64 64 PRO HD2 H 1 3.718 0.024 . 2 . . . . 64 PRO QD . 17319 1 765 . 1 1 64 64 PRO HD3 H 1 3.718 0.024 . 2 . . . . 64 PRO QD . 17319 1 766 . 1 1 64 64 PRO C C 13 175.955 0.15 . 1 . . . . 64 PRO C . 17319 1 767 . 1 1 64 64 PRO CA C 13 62.242 0.15 . 1 . . . . 64 PRO CA . 17319 1 768 . 1 1 64 64 PRO CB C 13 33.014 0.15 . 1 . . . . 64 PRO CB . 17319 1 769 . 1 1 64 64 PRO CG C 13 28.070 0.15 . 1 . . . . 64 PRO CG . 17319 1 770 . 1 1 64 64 PRO CD C 13 50.880 0.15 . 1 . . . . 64 PRO CD . 17319 1 771 . 1 1 65 65 ALA H H 1 8.168 0.024 . 1 . . . . 65 ALA H . 17319 1 772 . 1 1 65 65 ALA HA H 1 4.537 0.024 . 1 . . . . 65 ALA HA . 17319 1 773 . 1 1 65 65 ALA HB1 H 1 0.927 0.024 . 1 . . . . 65 ALA QB . 17319 1 774 . 1 1 65 65 ALA HB2 H 1 0.927 0.024 . 1 . . . . 65 ALA QB . 17319 1 775 . 1 1 65 65 ALA HB3 H 1 0.927 0.024 . 1 . . . . 65 ALA QB . 17319 1 776 . 1 1 65 65 ALA C C 13 175.858 0.15 . 1 . . . . 65 ALA C . 17319 1 777 . 1 1 65 65 ALA CA C 13 50.340 0.15 . 1 . . . . 65 ALA CA . 17319 1 778 . 1 1 65 65 ALA CB C 13 19.636 0.15 . 1 . . . . 65 ALA CB . 17319 1 779 . 1 1 65 65 ALA N N 15 128.959 0.12 . 1 . . . . 65 ALA N . 17319 1 780 . 1 1 66 66 GLY H H 1 8.205 0.024 . 1 . . . . 66 GLY H . 17319 1 781 . 1 1 66 66 GLY HA2 H 1 3.710 0.024 . 2 . . . . 66 GLY HA2 . 17319 1 782 . 1 1 66 66 GLY HA3 H 1 4.015 0.024 . 2 . . . . 66 GLY HA3 . 17319 1 783 . 1 1 66 66 GLY C C 13 174.365 0.15 . 1 . . . . 66 GLY C . 17319 1 784 . 1 1 66 66 GLY CA C 13 45.655 0.15 . 1 . . . . 66 GLY CA . 17319 1 785 . 1 1 66 66 GLY N N 15 110.034 0.12 . 1 . . . . 66 GLY N . 17319 1 786 . 1 1 67 67 GLN H H 1 8.621 0.024 . 1 . . . . 67 GLN H . 17319 1 787 . 1 1 67 67 GLN HA H 1 4.296 0.024 . 1 . . . . 67 GLN HA . 17319 1 788 . 1 1 67 67 GLN HB2 H 1 1.474 0.024 . 2 . . . . 67 GLN HB2 . 17319 1 789 . 1 1 67 67 GLN HB3 H 1 1.693 0.024 . 2 . . . . 67 GLN HB3 . 17319 1 790 . 1 1 67 67 GLN HG2 H 1 2.026 0.024 . 2 . . . . 67 GLN QG . 17319 1 791 . 1 1 67 67 GLN HG3 H 1 2.026 0.024 . 2 . . . . 67 GLN QG . 17319 1 792 . 1 1 67 67 GLN HE21 H 1 7.361 0.024 . 2 . . . . 67 GLN HE21 . 17319 1 793 . 1 1 67 67 GLN HE22 H 1 6.779 0.024 . 2 . . . . 67 GLN HE22 . 17319 1 794 . 1 1 67 67 GLN C C 13 177.710 0.15 . 1 . . . . 67 GLN C . 17319 1 795 . 1 1 67 67 GLN CA C 13 56.739 0.15 . 1 . . . . 67 GLN CA . 17319 1 796 . 1 1 67 67 GLN CB C 13 29.571 0.15 . 1 . . . . 67 GLN CB . 17319 1 797 . 1 1 67 67 GLN CG C 13 34.131 0.15 . 1 . . . . 67 GLN CG . 17319 1 798 . 1 1 67 67 GLN N N 15 119.706 0.12 . 1 . . . . 67 GLN N . 17319 1 799 . 1 1 67 67 GLN NE2 N 15 112.015 0.12 . 1 . . . . 67 GLN NE2 . 17319 1 800 . 1 1 68 68 TYR H H 1 8.082 0.024 . 1 . . . . 68 TYR H . 17319 1 801 . 1 1 68 68 TYR HA H 1 4.915 0.024 . 1 . . . . 68 TYR HA . 17319 1 802 . 1 1 68 68 TYR HB2 H 1 3.343 0.024 . 2 . . . . 68 TYR HB2 . 17319 1 803 . 1 1 68 68 TYR HB3 H 1 2.866 0.024 . 2 . . . . 68 TYR HB3 . 17319 1 804 . 1 1 68 68 TYR HD1 H 1 7.152 0.024 . 3 . . . . 68 TYR QD . 17319 1 805 . 1 1 68 68 TYR HD2 H 1 7.152 0.024 . 3 . . . . 68 TYR QD . 17319 1 806 . 1 1 68 68 TYR HE1 H 1 6.797 0.024 . 3 . . . . 68 TYR QE . 17319 1 807 . 1 1 68 68 TYR HE2 H 1 6.797 0.024 . 3 . . . . 68 TYR QE . 17319 1 808 . 1 1 68 68 TYR C C 13 173.814 0.15 . 1 . . . . 68 TYR C . 17319 1 809 . 1 1 68 68 TYR CA C 13 57.906 0.15 . 1 . . . . 68 TYR CA . 17319 1 810 . 1 1 68 68 TYR CB C 13 39.992 0.15 . 1 . . . . 68 TYR CB . 17319 1 811 . 1 1 68 68 TYR CD1 C 13 133.474 0.15 . 3 . . . . 68 TYR CD1 . 17319 1 812 . 1 1 68 68 TYR CE1 C 13 118.551 0.15 . 3 . . . . 68 TYR CE1 . 17319 1 813 . 1 1 68 68 TYR N N 15 115.474 0.12 . 1 . . . . 68 TYR N . 17319 1 814 . 1 1 69 69 ALA H H 1 6.797 0.024 . 1 . . . . 69 ALA H . 17319 1 815 . 1 1 69 69 ALA HA H 1 3.998 0.024 . 1 . . . . 69 ALA HA . 17319 1 816 . 1 1 69 69 ALA HB1 H 1 0.903 0.024 . 1 . . . . 69 ALA QB . 17319 1 817 . 1 1 69 69 ALA HB2 H 1 0.903 0.024 . 1 . . . . 69 ALA QB . 17319 1 818 . 1 1 69 69 ALA HB3 H 1 0.903 0.024 . 1 . . . . 69 ALA QB . 17319 1 819 . 1 1 69 69 ALA C C 13 174.605 0.15 . 1 . . . . 69 ALA C . 17319 1 820 . 1 1 69 69 ALA CA C 13 50.690 0.15 . 1 . . . . 69 ALA CA . 17319 1 821 . 1 1 69 69 ALA CB C 13 23.797 0.15 . 1 . . . . 69 ALA CB . 17319 1 822 . 1 1 69 69 ALA N N 15 118.739 0.12 . 1 . . . . 69 ALA N . 17319 1 823 . 1 1 70 70 LEU H H 1 8.044 0.024 . 1 . . . . 70 LEU H . 17319 1 824 . 1 1 70 70 LEU HA H 1 4.444 0.024 . 1 . . . . 70 LEU HA . 17319 1 825 . 1 1 70 70 LEU HB2 H 1 1.092 0.024 . 2 . . . . 70 LEU HB2 . 17319 1 826 . 1 1 70 70 LEU HB3 H 1 1.058 0.024 . 2 . . . . 70 LEU HB3 . 17319 1 827 . 1 1 70 70 LEU HG H 1 1.106 0.024 . 1 . . . . 70 LEU HG . 17319 1 828 . 1 1 70 70 LEU HD11 H 1 0.662 0.024 . 2 . . . . 70 LEU QD1 . 17319 1 829 . 1 1 70 70 LEU HD12 H 1 0.662 0.024 . 2 . . . . 70 LEU QD1 . 17319 1 830 . 1 1 70 70 LEU HD13 H 1 0.662 0.024 . 2 . . . . 70 LEU QD1 . 17319 1 831 . 1 1 70 70 LEU HD21 H 1 0.623 0.024 . 2 . . . . 70 LEU QD2 . 17319 1 832 . 1 1 70 70 LEU HD22 H 1 0.623 0.024 . 2 . . . . 70 LEU QD2 . 17319 1 833 . 1 1 70 70 LEU HD23 H 1 0.623 0.024 . 2 . . . . 70 LEU QD2 . 17319 1 834 . 1 1 70 70 LEU C C 13 174.425 0.15 . 1 . . . . 70 LEU C . 17319 1 835 . 1 1 70 70 LEU CA C 13 53.140 0.15 . 1 . . . . 70 LEU CA . 17319 1 836 . 1 1 70 70 LEU CB C 13 46.144 0.15 . 1 . . . . 70 LEU CB . 17319 1 837 . 1 1 70 70 LEU CG C 13 26.161 0.15 . 1 . . . . 70 LEU CG . 17319 1 838 . 1 1 70 70 LEU CD1 C 13 24.852 0.15 . 2 . . . . 70 LEU CD1 . 17319 1 839 . 1 1 70 70 LEU CD2 C 13 24.159 0.15 . 2 . . . . 70 LEU CD2 . 17319 1 840 . 1 1 70 70 LEU N N 15 119.112 0.12 . 1 . . . . 70 LEU N . 17319 1 841 . 1 1 71 71 LYS H H 1 9.081 0.024 . 1 . . . . 71 LYS H . 17319 1 842 . 1 1 71 71 LYS HA H 1 4.986 0.024 . 1 . . . . 71 LYS HA . 17319 1 843 . 1 1 71 71 LYS HB2 H 1 1.364 0.024 . 2 . . . . 71 LYS HB2 . 17319 1 844 . 1 1 71 71 LYS HB3 H 1 1.699 0.024 . 2 . . . . 71 LYS HB3 . 17319 1 845 . 1 1 71 71 LYS HG2 H 1 0.914 0.024 . 2 . . . . 71 LYS HG2 . 17319 1 846 . 1 1 71 71 LYS HG3 H 1 1.100 0.024 . 2 . . . . 71 LYS HG3 . 17319 1 847 . 1 1 71 71 LYS HD2 H 1 1.422 0.024 . 2 . . . . 71 LYS HD2 . 17319 1 848 . 1 1 71 71 LYS HD3 H 1 1.516 0.024 . 2 . . . . 71 LYS HD3 . 17319 1 849 . 1 1 71 71 LYS HE2 H 1 2.730 0.024 . 2 . . . . 71 LYS QE . 17319 1 850 . 1 1 71 71 LYS HE3 H 1 2.730 0.024 . 2 . . . . 71 LYS QE . 17319 1 851 . 1 1 71 71 LYS C C 13 175.740 0.15 . 1 . . . . 71 LYS C . 17319 1 852 . 1 1 71 71 LYS CA C 13 55.010 0.15 . 1 . . . . 71 LYS CA . 17319 1 853 . 1 1 71 71 LYS CB C 13 34.371 0.15 . 1 . . . . 71 LYS CB . 17319 1 854 . 1 1 71 71 LYS CG C 13 25.000 0.15 . 1 . . . . 71 LYS CG . 17319 1 855 . 1 1 71 71 LYS CD C 13 29.768 0.15 . 1 . . . . 71 LYS CD . 17319 1 856 . 1 1 71 71 LYS CE C 13 41.954 0.15 . 1 . . . . 71 LYS CE . 17319 1 857 . 1 1 71 71 LYS N N 15 122.076 0.12 . 1 . . . . 71 LYS N . 17319 1 858 . 1 1 72 72 LEU H H 1 8.558 0.024 . 1 . . . . 72 LEU H . 17319 1 859 . 1 1 72 72 LEU HA H 1 4.654 0.024 . 1 . . . . 72 LEU HA . 17319 1 860 . 1 1 72 72 LEU HB2 H 1 1.458 0.024 . 2 . . . . 72 LEU HB2 . 17319 1 861 . 1 1 72 72 LEU HB3 H 1 0.756 0.024 . 2 . . . . 72 LEU HB3 . 17319 1 862 . 1 1 72 72 LEU HG H 1 1.260 0.024 . 1 . . . . 72 LEU HG . 17319 1 863 . 1 1 72 72 LEU HD11 H 1 0.142 0.024 . 2 . . . . 72 LEU QD1 . 17319 1 864 . 1 1 72 72 LEU HD12 H 1 0.142 0.024 . 2 . . . . 72 LEU QD1 . 17319 1 865 . 1 1 72 72 LEU HD13 H 1 0.142 0.024 . 2 . . . . 72 LEU QD1 . 17319 1 866 . 1 1 72 72 LEU HD21 H 1 0.319 0.024 . 2 . . . . 72 LEU QD2 . 17319 1 867 . 1 1 72 72 LEU HD22 H 1 0.319 0.024 . 2 . . . . 72 LEU QD2 . 17319 1 868 . 1 1 72 72 LEU HD23 H 1 0.319 0.024 . 2 . . . . 72 LEU QD2 . 17319 1 869 . 1 1 72 72 LEU C C 13 174.781 0.15 . 1 . . . . 72 LEU C . 17319 1 870 . 1 1 72 72 LEU CA C 13 53.909 0.15 . 1 . . . . 72 LEU CA . 17319 1 871 . 1 1 72 72 LEU CB C 13 43.074 0.15 . 1 . . . . 72 LEU CB . 17319 1 872 . 1 1 72 72 LEU CG C 13 29.190 0.15 . 1 . . . . 72 LEU CG . 17319 1 873 . 1 1 72 72 LEU CD1 C 13 24.983 0.15 . 2 . . . . 72 LEU CD1 . 17319 1 874 . 1 1 72 72 LEU CD2 C 13 25.835 0.15 . 2 . . . . 72 LEU CD2 . 17319 1 875 . 1 1 72 72 LEU N N 15 129.976 0.12 . 1 . . . . 72 LEU N . 17319 1 876 . 1 1 73 73 SER H H 1 7.963 0.024 . 1 . . . . 73 SER H . 17319 1 877 . 1 1 73 73 SER HA H 1 5.012 0.024 . 1 . . . . 73 SER HA . 17319 1 878 . 1 1 73 73 SER HB2 H 1 3.339 0.024 . 2 . . . . 73 SER HB2 . 17319 1 879 . 1 1 73 73 SER HB3 H 1 3.707 0.024 . 2 . . . . 73 SER HB3 . 17319 1 880 . 1 1 73 73 SER C C 13 173.350 0.15 . 1 . . . . 73 SER C . 17319 1 881 . 1 1 73 73 SER CA C 13 56.999 0.15 . 1 . . . . 73 SER CA . 17319 1 882 . 1 1 73 73 SER CB C 13 64.545 0.15 . 1 . . . . 73 SER CB . 17319 1 883 . 1 1 73 73 SER N N 15 115.819 0.12 . 1 . . . . 73 SER N . 17319 1 884 . 1 1 74 74 PHE H H 1 9.159 0.024 . 1 . . . . 74 PHE H . 17319 1 885 . 1 1 74 74 PHE HA H 1 5.480 0.024 . 1 . . . . 74 PHE HA . 17319 1 886 . 1 1 74 74 PHE HB2 H 1 3.146 0.024 . 2 . . . . 74 PHE HB2 . 17319 1 887 . 1 1 74 74 PHE HB3 H 1 3.598 0.024 . 2 . . . . 74 PHE HB3 . 17319 1 888 . 1 1 74 74 PHE HD1 H 1 7.360 0.024 . 3 . . . . 74 PHE QD . 17319 1 889 . 1 1 74 74 PHE HD2 H 1 7.360 0.024 . 3 . . . . 74 PHE QD . 17319 1 890 . 1 1 74 74 PHE HE1 H 1 6.828 0.024 . 3 . . . . 74 PHE QE . 17319 1 891 . 1 1 74 74 PHE HE2 H 1 6.828 0.024 . 3 . . . . 74 PHE QE . 17319 1 892 . 1 1 74 74 PHE C C 13 177.193 0.15 . 1 . . . . 74 PHE C . 17319 1 893 . 1 1 74 74 PHE CA C 13 56.528 0.15 . 1 . . . . 74 PHE CA . 17319 1 894 . 1 1 74 74 PHE CB C 13 42.339 0.15 . 1 . . . . 74 PHE CB . 17319 1 895 . 1 1 74 74 PHE CD1 C 13 131.579 0.15 . 3 . . . . 74 PHE CD1 . 17319 1 896 . 1 1 74 74 PHE CE1 C 13 128.800 0.15 . 3 . . . . 74 PHE CE1 . 17319 1 897 . 1 1 74 74 PHE N N 15 123.561 0.12 . 1 . . . . 74 PHE N . 17319 1 898 . 1 1 75 75 ASP H H 1 8.672 0.024 . 1 . . . . 75 ASP H . 17319 1 899 . 1 1 75 75 ASP HA H 1 4.475 0.024 . 1 . . . . 75 ASP HA . 17319 1 900 . 1 1 75 75 ASP HB2 H 1 2.337 0.024 . 2 . . . . 75 ASP HB2 . 17319 1 901 . 1 1 75 75 ASP HB3 H 1 3.186 0.024 . 2 . . . . 75 ASP HB3 . 17319 1 902 . 1 1 75 75 ASP C C 13 175.706 0.15 . 1 . . . . 75 ASP C . 17319 1 903 . 1 1 75 75 ASP CA C 13 54.630 0.15 . 1 . . . . 75 ASP CA . 17319 1 904 . 1 1 75 75 ASP CB C 13 39.445 0.15 . 1 . . . . 75 ASP CB . 17319 1 905 . 1 1 75 75 ASP N N 15 120.551 0.12 . 1 . . . . 75 ASP N . 17319 1 906 . 1 1 76 76 ASP H H 1 8.020 0.024 . 1 . . . . 76 ASP H . 17319 1 907 . 1 1 76 76 ASP HA H 1 4.655 0.024 . 1 . . . . 76 ASP HA . 17319 1 908 . 1 1 76 76 ASP HB2 H 1 2.558 0.024 . 2 . . . . 76 ASP HB2 . 17319 1 909 . 1 1 76 76 ASP HB3 H 1 2.973 0.024 . 2 . . . . 76 ASP HB3 . 17319 1 910 . 1 1 76 76 ASP C C 13 177.632 0.15 . 1 . . . . 76 ASP C . 17319 1 911 . 1 1 76 76 ASP CA C 13 53.237 0.15 . 1 . . . . 76 ASP CA . 17319 1 912 . 1 1 76 76 ASP CB C 13 40.244 0.15 . 1 . . . . 76 ASP CB . 17319 1 913 . 1 1 76 76 ASP N N 15 117.211 0.12 . 1 . . . . 76 ASP N . 17319 1 914 . 1 1 77 77 GLY H H 1 7.963 0.024 . 1 . . . . 77 GLY H . 17319 1 915 . 1 1 77 77 GLY HA2 H 1 4.245 0.024 . 2 . . . . 77 GLY HA2 . 17319 1 916 . 1 1 77 77 GLY HA3 H 1 3.688 0.024 . 2 . . . . 77 GLY HA3 . 17319 1 917 . 1 1 77 77 GLY C C 13 173.803 0.15 . 1 . . . . 77 GLY C . 17319 1 918 . 1 1 77 77 GLY CA C 13 45.370 0.15 . 1 . . . . 77 GLY CA . 17319 1 919 . 1 1 77 77 GLY N N 15 108.290 0.12 . 1 . . . . 77 GLY N . 17319 1 920 . 1 1 78 78 HIS H H 1 7.983 0.024 . 1 . . . . 78 HIS H . 17319 1 921 . 1 1 78 78 HIS HA H 1 4.631 0.024 . 1 . . . . 78 HIS HA . 17319 1 922 . 1 1 78 78 HIS HB2 H 1 3.311 0.024 . 2 . . . . 78 HIS HB2 . 17319 1 923 . 1 1 78 78 HIS HB3 H 1 2.823 0.024 . 2 . . . . 78 HIS HB3 . 17319 1 924 . 1 1 78 78 HIS HD2 H 1 6.671 0.024 . 1 . . . . 78 HIS HD2 . 17319 1 925 . 1 1 78 78 HIS HE1 H 1 7.689 0.024 . 1 . . . . 78 HIS HE1 . 17319 1 926 . 1 1 78 78 HIS C C 13 174.202 0.15 . 1 . . . . 78 HIS C . 17319 1 927 . 1 1 78 78 HIS CA C 13 56.447 0.15 . 1 . . . . 78 HIS CA . 17319 1 928 . 1 1 78 78 HIS CB C 13 30.385 0.15 . 1 . . . . 78 HIS CB . 17319 1 929 . 1 1 78 78 HIS CD2 C 13 124.342 0.15 . 1 . . . . 78 HIS CD2 . 17319 1 930 . 1 1 78 78 HIS CE1 C 13 139.215 0.15 . 1 . . . . 78 HIS CE1 . 17319 1 931 . 1 1 78 78 HIS N N 15 121.047 0.12 . 1 . . . . 78 HIS N . 17319 1 932 . 1 1 79 79 ASP H H 1 7.995 0.024 . 1 . . . . 79 ASP H . 17319 1 933 . 1 1 79 79 ASP HA H 1 5.105 0.024 . 1 . . . . 79 ASP HA . 17319 1 934 . 1 1 79 79 ASP HB2 H 1 2.536 0.024 . 2 . . . . 79 ASP QB . 17319 1 935 . 1 1 79 79 ASP HB3 H 1 2.536 0.024 . 2 . . . . 79 ASP QB . 17319 1 936 . 1 1 79 79 ASP CA C 13 53.341 0.15 . 1 . . . . 79 ASP CA . 17319 1 937 . 1 1 79 79 ASP CB C 13 42.778 0.15 . 1 . . . . 79 ASP CB . 17319 1 938 . 1 1 79 79 ASP N N 15 126.046 0.12 . 1 . . . . 79 ASP N . 17319 1 939 . 1 1 80 80 SER HA H 1 4.380 0.024 . 1 . . . . 80 SER HA . 17319 1 940 . 1 1 80 80 SER HB2 H 1 3.806 0.024 . 2 . . . . 80 SER HB2 . 17319 1 941 . 1 1 80 80 SER HB3 H 1 3.984 0.024 . 2 . . . . 80 SER HB3 . 17319 1 942 . 1 1 80 80 SER CA C 13 58.429 0.15 . 1 . . . . 80 SER CA . 17319 1 943 . 1 1 80 80 SER CB C 13 65.243 0.15 . 1 . . . . 80 SER CB . 17319 1 944 . 1 1 81 81 GLY H H 1 8.519 0.024 . 1 . . . . 81 GLY H . 17319 1 945 . 1 1 81 81 GLY HA2 H 1 4.330 0.024 . 2 . . . . 81 GLY HA2 . 17319 1 946 . 1 1 81 81 GLY HA3 H 1 3.580 0.024 . 2 . . . . 81 GLY HA3 . 17319 1 947 . 1 1 81 81 GLY CA C 13 45.589 0.15 . 1 . . . . 81 GLY CA . 17319 1 948 . 1 1 81 81 GLY N N 15 111.790 0.12 . 1 . . . . 81 GLY N . 17319 1 949 . 1 1 83 83 PHE HA H 1 4.617 0.024 . 1 . . . . 83 PHE HA . 17319 1 950 . 1 1 83 83 PHE HB2 H 1 2.661 0.024 . 2 . . . . 83 PHE HB2 . 17319 1 951 . 1 1 83 83 PHE HB3 H 1 3.228 0.024 . 2 . . . . 83 PHE HB3 . 17319 1 952 . 1 1 83 83 PHE HD1 H 1 7.283 0.024 . 3 . . . . 83 PHE QD . 17319 1 953 . 1 1 83 83 PHE HD2 H 1 7.283 0.024 . 3 . . . . 83 PHE QD . 17319 1 954 . 1 1 83 83 PHE HE1 H 1 7.382 0.024 . 3 . . . . 83 PHE HE1 . 17319 1 955 . 1 1 83 83 PHE HZ H 1 7.540 0.024 . 1 . . . . 83 PHE HZ . 17319 1 956 . 1 1 83 83 PHE CA C 13 56.814 0.15 . 1 . . . . 83 PHE CA . 17319 1 957 . 1 1 83 83 PHE CB C 13 39.164 0.15 . 1 . . . . 83 PHE CB . 17319 1 958 . 1 1 83 83 PHE CD1 C 13 132.750 0.15 . 3 . . . . 83 PHE CD1 . 17319 1 959 . 1 1 83 83 PHE CE1 C 13 132.255 0.15 . 3 . . . . 83 PHE CE1 . 17319 1 960 . 1 1 83 83 PHE CZ C 13 130.103 0.15 . 1 . . . . 83 PHE CZ . 17319 1 961 . 1 1 84 84 THR HA H 1 4.515 0.024 . 1 . . . . 84 THR HA . 17319 1 962 . 1 1 84 84 THR HB H 1 4.807 0.024 . 1 . . . . 84 THR HB . 17319 1 963 . 1 1 84 84 THR HG21 H 1 1.260 0.024 . 1 . . . . 84 THR QG2 . 17319 1 964 . 1 1 84 84 THR HG22 H 1 1.260 0.024 . 1 . . . . 84 THR QG2 . 17319 1 965 . 1 1 84 84 THR HG23 H 1 1.260 0.024 . 1 . . . . 84 THR QG2 . 17319 1 966 . 1 1 84 84 THR CA C 13 60.880 0.15 . 1 . . . . 84 THR CA . 17319 1 967 . 1 1 84 84 THR CB C 13 70.740 0.15 . 1 . . . . 84 THR CB . 17319 1 968 . 1 1 84 84 THR CG2 C 13 22.321 0.15 . 1 . . . . 84 THR CG2 . 17319 1 969 . 1 1 85 85 TRP H H 1 7.649 0.024 . 1 . . . . 85 TRP H . 17319 1 970 . 1 1 85 85 TRP HA H 1 5.039 0.024 . 1 . . . . 85 TRP HA . 17319 1 971 . 1 1 85 85 TRP HB2 H 1 3.654 0.024 . 2 . . . . 85 TRP HB2 . 17319 1 972 . 1 1 85 85 TRP HB3 H 1 3.172 0.024 . 2 . . . . 85 TRP HB3 . 17319 1 973 . 1 1 85 85 TRP HD1 H 1 7.385 0.024 . 1 . . . . 85 TRP HD1 . 17319 1 974 . 1 1 85 85 TRP HE1 H 1 9.826 0.024 . 1 . . . . 85 TRP HE1 . 17319 1 975 . 1 1 85 85 TRP HE3 H 1 7.796 0.024 . 1 . . . . 85 TRP HE3 . 17319 1 976 . 1 1 85 85 TRP HZ2 H 1 7.283 0.024 . 1 . . . . 85 TRP HZ2 . 17319 1 977 . 1 1 85 85 TRP HZ3 H 1 6.615 0.024 . 1 . . . . 85 TRP HZ3 . 17319 1 978 . 1 1 85 85 TRP HH2 H 1 6.875 0.024 . 1 . . . . 85 TRP HH2 . 17319 1 979 . 1 1 85 85 TRP CA C 13 59.265 0.15 . 1 . . . . 85 TRP CA . 17319 1 980 . 1 1 85 85 TRP CB C 13 30.155 0.15 . 1 . . . . 85 TRP CB . 17319 1 981 . 1 1 85 85 TRP CD1 C 13 128.210 0.15 . 1 . . . . 85 TRP CD1 . 17319 1 982 . 1 1 85 85 TRP CE3 C 13 121.409 0.15 . 1 . . . . 85 TRP CE3 . 17319 1 983 . 1 1 85 85 TRP CZ2 C 13 114.843 0.15 . 1 . . . . 85 TRP CZ2 . 17319 1 984 . 1 1 85 85 TRP CZ3 C 13 121.303 0.15 . 1 . . . . 85 TRP CZ3 . 17319 1 985 . 1 1 85 85 TRP CH2 C 13 124.301 0.15 . 1 . . . . 85 TRP CH2 . 17319 1 986 . 1 1 85 85 TRP N N 15 118.669 0.12 . 1 . . . . 85 TRP N . 17319 1 987 . 1 1 85 85 TRP NE1 N 15 128.084 0.12 . 1 . . . . 85 TRP NE1 . 17319 1 988 . 1 1 86 86 ASP H H 1 8.823 0.024 . 1 . . . . 86 ASP H . 17319 1 989 . 1 1 86 86 ASP HA H 1 4.587 0.024 . 1 . . . . 86 ASP HA . 17319 1 990 . 1 1 86 86 ASP HB2 H 1 2.761 0.024 . 2 . . . . 86 ASP HB2 . 17319 1 991 . 1 1 86 86 ASP HB3 H 1 2.629 0.024 . 2 . . . . 86 ASP HB3 . 17319 1 992 . 1 1 86 86 ASP CA C 13 57.580 0.15 . 1 . . . . 86 ASP CA . 17319 1 993 . 1 1 86 86 ASP CB C 13 40.484 0.15 . 1 . . . . 86 ASP CB . 17319 1 994 . 1 1 86 86 ASP N N 15 118.661 0.12 . 1 . . . . 86 ASP N . 17319 1 995 . 1 1 87 87 TYR H H 1 7.909 0.024 . 1 . . . . 87 TYR H . 17319 1 996 . 1 1 87 87 TYR HA H 1 4.573 0.024 . 1 . . . . 87 TYR HA . 17319 1 997 . 1 1 87 87 TYR HB2 H 1 3.023 0.024 . 2 . . . . 87 TYR HB2 . 17319 1 998 . 1 1 87 87 TYR HB3 H 1 3.192 0.024 . 2 . . . . 87 TYR HB3 . 17319 1 999 . 1 1 87 87 TYR HD1 H 1 7.079 0.024 . 3 . . . . 87 TYR QD . 17319 1 1000 . 1 1 87 87 TYR HD2 H 1 7.079 0.024 . 3 . . . . 87 TYR QD . 17319 1 1001 . 1 1 87 87 TYR HE1 H 1 6.694 0.024 . 3 . . . . 87 TYR QE . 17319 1 1002 . 1 1 87 87 TYR HE2 H 1 6.694 0.024 . 3 . . . . 87 TYR QE . 17319 1 1003 . 1 1 87 87 TYR C C 13 177.708 0.15 . 1 . . . . 87 TYR C . 17319 1 1004 . 1 1 87 87 TYR CA C 13 60.272 0.15 . 1 . . . . 87 TYR CA . 17319 1 1005 . 1 1 87 87 TYR CB C 13 39.507 0.15 . 1 . . . . 87 TYR CB . 17319 1 1006 . 1 1 87 87 TYR CD1 C 13 132.855 0.15 . 3 . . . . 87 TYR CD1 . 17319 1 1007 . 1 1 87 87 TYR CE1 C 13 117.864 0.15 . 3 . . . . 87 TYR CE1 . 17319 1 1008 . 1 1 87 87 TYR N N 15 123.444 0.12 . 1 . . . . 87 TYR N . 17319 1 1009 . 1 1 88 88 LEU H H 1 8.977 0.024 . 1 . . . . 88 LEU H . 17319 1 1010 . 1 1 88 88 LEU HA H 1 3.803 0.024 . 1 . . . . 88 LEU HA . 17319 1 1011 . 1 1 88 88 LEU HB2 H 1 1.981 0.024 . 2 . . . . 88 LEU HB2 . 17319 1 1012 . 1 1 88 88 LEU HB3 H 1 1.662 0.024 . 2 . . . . 88 LEU HB3 . 17319 1 1013 . 1 1 88 88 LEU HG H 1 1.762 0.024 . 1 . . . . 88 LEU HG . 17319 1 1014 . 1 1 88 88 LEU HD11 H 1 0.777 0.024 . 2 . . . . 88 LEU QQD . 17319 1 1015 . 1 1 88 88 LEU HD12 H 1 0.777 0.024 . 2 . . . . 88 LEU QQD . 17319 1 1016 . 1 1 88 88 LEU HD13 H 1 0.777 0.024 . 2 . . . . 88 LEU QQD . 17319 1 1017 . 1 1 88 88 LEU HD21 H 1 0.777 0.024 . 2 . . . . 88 LEU QQD . 17319 1 1018 . 1 1 88 88 LEU HD22 H 1 0.777 0.024 . 2 . . . . 88 LEU QQD . 17319 1 1019 . 1 1 88 88 LEU HD23 H 1 0.777 0.024 . 2 . . . . 88 LEU QQD . 17319 1 1020 . 1 1 88 88 LEU C C 13 177.346 0.15 . 1 . . . . 88 LEU C . 17319 1 1021 . 1 1 88 88 LEU CA C 13 58.362 0.15 . 1 . . . . 88 LEU CA . 17319 1 1022 . 1 1 88 88 LEU CB C 13 42.522 0.15 . 1 . . . . 88 LEU CB . 17319 1 1023 . 1 1 88 88 LEU CG C 13 27.753 0.15 . 1 . . . . 88 LEU CG . 17319 1 1024 . 1 1 88 88 LEU CD1 C 13 26.146 0.15 . 2 . . . . 88 LEU CD1 . 17319 1 1025 . 1 1 88 88 LEU CD2 C 13 24.192 0.15 . 2 . . . . 88 LEU CD2 . 17319 1 1026 . 1 1 88 88 LEU N N 15 117.994 0.12 . 1 . . . . 88 LEU N . 17319 1 1027 . 1 1 89 89 TYR H H 1 7.920 0.024 . 1 . . . . 89 TYR H . 17319 1 1028 . 1 1 89 89 TYR HA H 1 3.950 0.024 . 1 . . . . 89 TYR HA . 17319 1 1029 . 1 1 89 89 TYR HB2 H 1 2.950 0.024 . 2 . . . . 89 TYR QB . 17319 1 1030 . 1 1 89 89 TYR HB3 H 1 2.950 0.024 . 2 . . . . 89 TYR QB . 17319 1 1031 . 1 1 89 89 TYR HD1 H 1 6.945 0.024 . 3 . . . . 89 TYR QD . 17319 1 1032 . 1 1 89 89 TYR HD2 H 1 6.945 0.024 . 3 . . . . 89 TYR QD . 17319 1 1033 . 1 1 89 89 TYR HE1 H 1 6.343 0.024 . 3 . . . . 89 TYR QE . 17319 1 1034 . 1 1 89 89 TYR HE2 H 1 6.343 0.024 . 3 . . . . 89 TYR QE . 17319 1 1035 . 1 1 89 89 TYR C C 13 178.725 0.15 . 1 . . . . 89 TYR C . 17319 1 1036 . 1 1 89 89 TYR CA C 13 61.927 0.15 . 1 . . . . 89 TYR CA . 17319 1 1037 . 1 1 89 89 TYR CB C 13 38.604 0.15 . 1 . . . . 89 TYR CB . 17319 1 1038 . 1 1 89 89 TYR CD1 C 13 133.625 0.15 . 3 . . . . 89 TYR CD1 . 17319 1 1039 . 1 1 89 89 TYR CE1 C 13 117.686 0.15 . 3 . . . . 89 TYR CE1 . 17319 1 1040 . 1 1 89 89 TYR N N 15 117.017 0.12 . 1 . . . . 89 TYR N . 17319 1 1041 . 1 1 90 90 GLU H H 1 7.634 0.024 . 1 . . . . 90 GLU H . 17319 1 1042 . 1 1 90 90 GLU HA H 1 3.567 0.024 . 1 . . . . 90 GLU HA . 17319 1 1043 . 1 1 90 90 GLU HB2 H 1 2.138 0.024 . 2 . . . . 90 GLU HB2 . 17319 1 1044 . 1 1 90 90 GLU HB3 H 1 2.083 0.024 . 2 . . . . 90 GLU HB3 . 17319 1 1045 . 1 1 90 90 GLU C C 13 177.083 0.15 . 1 . . . . 90 GLU C . 17319 1 1046 . 1 1 90 90 GLU CA C 13 59.806 0.15 . 1 . . . . 90 GLU CA . 17319 1 1047 . 1 1 90 90 GLU CB C 13 29.300 0.15 . 1 . . . . 90 GLU CB . 17319 1 1048 . 1 1 90 90 GLU N N 15 122.062 0.12 . 1 . . . . 90 GLU N . 17319 1 1049 . 1 1 91 91 LEU H H 1 8.108 0.024 . 1 . . . . 91 LEU H . 17319 1 1050 . 1 1 91 91 LEU HA H 1 3.571 0.024 . 1 . . . . 91 LEU HA . 17319 1 1051 . 1 1 91 91 LEU HB2 H 1 1.835 0.024 . 2 . . . . 91 LEU HB2 . 17319 1 1052 . 1 1 91 91 LEU HB3 H 1 1.084 0.024 . 2 . . . . 91 LEU HB3 . 17319 1 1053 . 1 1 91 91 LEU HG H 1 1.117 0.024 . 1 . . . . 91 LEU HG . 17319 1 1054 . 1 1 91 91 LEU HD11 H 1 0.501 0.024 . 2 . . . . 91 LEU QD1 . 17319 1 1055 . 1 1 91 91 LEU HD12 H 1 0.501 0.024 . 2 . . . . 91 LEU QD1 . 17319 1 1056 . 1 1 91 91 LEU HD13 H 1 0.501 0.024 . 2 . . . . 91 LEU QD1 . 17319 1 1057 . 1 1 91 91 LEU HD21 H 1 0.249 0.024 . 2 . . . . 91 LEU QD2 . 17319 1 1058 . 1 1 91 91 LEU HD22 H 1 0.249 0.024 . 2 . . . . 91 LEU QD2 . 17319 1 1059 . 1 1 91 91 LEU HD23 H 1 0.249 0.024 . 2 . . . . 91 LEU QD2 . 17319 1 1060 . 1 1 91 91 LEU C C 13 177.580 0.15 . 1 . . . . 91 LEU C . 17319 1 1061 . 1 1 91 91 LEU CA C 13 57.523 0.15 . 1 . . . . 91 LEU CA . 17319 1 1062 . 1 1 91 91 LEU CB C 13 41.822 0.15 . 1 . . . . 91 LEU CB . 17319 1 1063 . 1 1 91 91 LEU CG C 13 26.051 0.15 . 1 . . . . 91 LEU CG . 17319 1 1064 . 1 1 91 91 LEU CD1 C 13 26.702 0.15 . 2 . . . . 91 LEU CD1 . 17319 1 1065 . 1 1 91 91 LEU CD2 C 13 22.480 0.15 . 2 . . . . 91 LEU CD2 . 17319 1 1066 . 1 1 91 91 LEU N N 15 116.670 0.12 . 1 . . . . 91 LEU N . 17319 1 1067 . 1 1 92 92 ALA H H 1 8.025 0.024 . 1 . . . . 92 ALA H . 17319 1 1068 . 1 1 92 92 ALA HA H 1 3.629 0.024 . 1 . . . . 92 ALA HA . 17319 1 1069 . 1 1 92 92 ALA HB1 H 1 0.861 0.024 . 1 . . . . 92 ALA QB . 17319 1 1070 . 1 1 92 92 ALA HB2 H 1 0.861 0.024 . 1 . . . . 92 ALA QB . 17319 1 1071 . 1 1 92 92 ALA HB3 H 1 0.861 0.024 . 1 . . . . 92 ALA QB . 17319 1 1072 . 1 1 92 92 ALA C C 13 178.897 0.15 . 1 . . . . 92 ALA C . 17319 1 1073 . 1 1 92 92 ALA CA C 13 55.072 0.15 . 1 . . . . 92 ALA CA . 17319 1 1074 . 1 1 92 92 ALA CB C 13 17.676 0.15 . 1 . . . . 92 ALA CB . 17319 1 1075 . 1 1 92 92 ALA N N 15 115.165 0.12 . 1 . . . . 92 ALA N . 17319 1 1076 . 1 1 93 93 THR H H 1 7.354 0.024 . 1 . . . . 93 THR H . 17319 1 1077 . 1 1 93 93 THR HA H 1 3.568 0.024 . 1 . . . . 93 THR HA . 17319 1 1078 . 1 1 93 93 THR HB H 1 3.818 0.024 . 1 . . . . 93 THR HB . 17319 1 1079 . 1 1 93 93 THR HG21 H 1 0.248 0.024 . 1 . . . . 93 THR QG2 . 17319 1 1080 . 1 1 93 93 THR HG22 H 1 0.248 0.024 . 1 . . . . 93 THR QG2 . 17319 1 1081 . 1 1 93 93 THR HG23 H 1 0.248 0.024 . 1 . . . . 93 THR QG2 . 17319 1 1082 . 1 1 93 93 THR C C 13 177.067 0.15 . 1 . . . . 93 THR C . 17319 1 1083 . 1 1 93 93 THR CA C 13 63.802 0.15 . 1 . . . . 93 THR CA . 17319 1 1084 . 1 1 93 93 THR CB C 13 70.349 0.15 . 1 . . . . 93 THR CB . 17319 1 1085 . 1 1 93 93 THR CG2 C 13 20.939 0.15 . 1 . . . . 93 THR CG2 . 17319 1 1086 . 1 1 93 93 THR N N 15 103.679 0.12 . 1 . . . . 93 THR N . 17319 1 1087 . 1 1 94 94 ARG H H 1 7.718 0.024 . 1 . . . . 94 ARG H . 17319 1 1088 . 1 1 94 94 ARG HA H 1 4.717 0.024 . 1 . . . . 94 ARG HA . 17319 1 1089 . 1 1 94 94 ARG HB2 H 1 2.138 0.024 . 2 . . . . 94 ARG HB2 . 17319 1 1090 . 1 1 94 94 ARG HB3 H 1 1.632 0.024 . 2 . . . . 94 ARG HB3 . 17319 1 1091 . 1 1 94 94 ARG HG2 H 1 1.418 0.024 . 2 . . . . 94 ARG HG2 . 17319 1 1092 . 1 1 94 94 ARG HG3 H 1 1.674 0.024 . 2 . . . . 94 ARG HG3 . 17319 1 1093 . 1 1 94 94 ARG HD2 H 1 3.139 0.024 . 2 . . . . 94 ARG HD2 . 17319 1 1094 . 1 1 94 94 ARG HD3 H 1 3.085 0.024 . 2 . . . . 94 ARG HD3 . 17319 1 1095 . 1 1 94 94 ARG HE H 1 7.138 0.024 . 1 . . . . 94 ARG HE . 17319 1 1096 . 1 1 94 94 ARG C C 13 175.694 0.15 . 1 . . . . 94 ARG C . 17319 1 1097 . 1 1 94 94 ARG CA C 13 55.172 0.15 . 1 . . . . 94 ARG CA . 17319 1 1098 . 1 1 94 94 ARG CB C 13 29.061 0.15 . 1 . . . . 94 ARG CB . 17319 1 1099 . 1 1 94 94 ARG CG C 13 27.884 0.15 . 1 . . . . 94 ARG CG . 17319 1 1100 . 1 1 94 94 ARG CD C 13 44.182 0.15 . 1 . . . . 94 ARG CD . 17319 1 1101 . 1 1 94 94 ARG N N 15 120.193 0.12 . 1 . . . . 94 ARG N . 17319 1 1102 . 1 1 94 94 ARG NE N 15 85.422 0.12 . 1 . . . . 94 ARG NE . 17319 1 1103 . 1 1 95 95 LYS H H 1 6.532 0.024 . 1 . . . . 95 LYS H . 17319 1 1104 . 1 1 95 95 LYS HA H 1 3.771 0.024 . 1 . . . . 95 LYS HA . 17319 1 1105 . 1 1 95 95 LYS HB2 H 1 1.698 0.024 . 2 . . . . 95 LYS HB2 . 17319 1 1106 . 1 1 95 95 LYS HB3 H 1 1.416 0.024 . 2 . . . . 95 LYS HB3 . 17319 1 1107 . 1 1 95 95 LYS HG2 H 1 0.571 0.024 . 2 . . . . 95 LYS HG2 . 17319 1 1108 . 1 1 95 95 LYS HG3 H 1 0.272 0.024 . 2 . . . . 95 LYS HG3 . 17319 1 1109 . 1 1 95 95 LYS HD2 H 1 1.198 0.024 . 2 . . . . 95 LYS HD2 . 17319 1 1110 . 1 1 95 95 LYS HD3 H 1 1.267 0.024 . 2 . . . . 95 LYS HD3 . 17319 1 1111 . 1 1 95 95 LYS HE2 H 1 2.728 0.024 . 2 . . . . 95 LYS HE2 . 17319 1 1112 . 1 1 95 95 LYS HE3 H 1 2.616 0.024 . 2 . . . . 95 LYS HE3 . 17319 1 1113 . 1 1 95 95 LYS C C 13 177.144 0.15 . 1 . . . . 95 LYS C . 17319 1 1114 . 1 1 95 95 LYS CA C 13 60.517 0.15 . 1 . . . . 95 LYS CA . 17319 1 1115 . 1 1 95 95 LYS CB C 13 32.450 0.15 . 1 . . . . 95 LYS CB . 17319 1 1116 . 1 1 95 95 LYS CG C 13 22.730 0.15 . 1 . . . . 95 LYS CG . 17319 1 1117 . 1 1 95 95 LYS CD C 13 29.569 0.15 . 1 . . . . 95 LYS CD . 17319 1 1118 . 1 1 95 95 LYS CE C 13 41.862 0.15 . 1 . . . . 95 LYS CE . 17319 1 1119 . 1 1 95 95 LYS N N 15 120.879 0.12 . 1 . . . . 95 LYS N . 17319 1 1120 . 1 1 96 96 ASP H H 1 8.507 0.024 . 1 . . . . 96 ASP H . 17319 1 1121 . 1 1 96 96 ASP HA H 1 4.412 0.024 . 1 . . . . 96 ASP HA . 17319 1 1122 . 1 1 96 96 ASP HB2 H 1 2.661 0.024 . 2 . . . . 96 ASP HB2 . 17319 1 1123 . 1 1 96 96 ASP HB3 H 1 2.516 0.024 . 2 . . . . 96 ASP HB3 . 17319 1 1124 . 1 1 96 96 ASP CA C 13 58.103 0.15 . 1 . . . . 96 ASP CA . 17319 1 1125 . 1 1 96 96 ASP CB C 13 40.086 0.15 . 1 . . . . 96 ASP CB . 17319 1 1126 . 1 1 96 96 ASP N N 15 116.590 0.12 . 1 . . . . 96 ASP N . 17319 1 1127 . 1 1 97 97 GLN H H 1 8.110 0.024 . 1 . . . . 97 GLN H . 17319 1 1128 . 1 1 97 97 GLN HA H 1 4.101 0.024 . 1 . . . . 97 GLN HA . 17319 1 1129 . 1 1 97 97 GLN HB2 H 1 2.148 0.024 . 2 . . . . 97 GLN HB2 . 17319 1 1130 . 1 1 97 97 GLN HB3 H 1 2.086 0.024 . 2 . . . . 97 GLN HB3 . 17319 1 1131 . 1 1 97 97 GLN HG2 H 1 2.381 0.024 . 2 . . . . 97 GLN QG . 17319 1 1132 . 1 1 97 97 GLN HG3 H 1 2.381 0.024 . 2 . . . . 97 GLN QG . 17319 1 1133 . 1 1 97 97 GLN HE21 H 1 7.784 0.024 . 2 . . . . 97 GLN HE21 . 17319 1 1134 . 1 1 97 97 GLN HE22 H 1 6.865 0.024 . 2 . . . . 97 GLN HE22 . 17319 1 1135 . 1 1 97 97 GLN C C 13 177.967 0.15 . 1 . . . . 97 GLN C . 17319 1 1136 . 1 1 97 97 GLN CA C 13 58.801 0.15 . 1 . . . . 97 GLN CA . 17319 1 1137 . 1 1 97 97 GLN CB C 13 28.761 0.15 . 1 . . . . 97 GLN CB . 17319 1 1138 . 1 1 97 97 GLN CG C 13 33.984 0.15 . 1 . . . . 97 GLN CG . 17319 1 1139 . 1 1 97 97 GLN N N 15 122.484 0.12 . 1 . . . . 97 GLN N . 17319 1 1140 . 1 1 97 97 GLN NE2 N 15 114.767 0.12 . 1 . . . . 97 GLN NE2 . 17319 1 1141 . 1 1 98 98 LEU H H 1 8.663 0.024 . 1 . . . . 98 LEU H . 17319 1 1142 . 1 1 98 98 LEU HA H 1 4.237 0.024 . 1 . . . . 98 LEU HA . 17319 1 1143 . 1 1 98 98 LEU HB2 H 1 1.879 0.024 . 2 . . . . 98 LEU HB2 . 17319 1 1144 . 1 1 98 98 LEU HB3 H 1 1.532 0.024 . 2 . . . . 98 LEU HB3 . 17319 1 1145 . 1 1 98 98 LEU HG H 1 1.703 0.024 . 1 . . . . 98 LEU HG . 17319 1 1146 . 1 1 98 98 LEU HD11 H 1 0.723 0.024 . 2 . . . . 98 LEU QD1 . 17319 1 1147 . 1 1 98 98 LEU HD12 H 1 0.723 0.024 . 2 . . . . 98 LEU QD1 . 17319 1 1148 . 1 1 98 98 LEU HD13 H 1 0.723 0.024 . 2 . . . . 98 LEU QD1 . 17319 1 1149 . 1 1 98 98 LEU HD21 H 1 0.929 0.024 . 2 . . . . 98 LEU QD2 . 17319 1 1150 . 1 1 98 98 LEU HD22 H 1 0.929 0.024 . 2 . . . . 98 LEU QD2 . 17319 1 1151 . 1 1 98 98 LEU HD23 H 1 0.929 0.024 . 2 . . . . 98 LEU QD2 . 17319 1 1152 . 1 1 98 98 LEU C C 13 181.167 0.15 . 1 . . . . 98 LEU C . 17319 1 1153 . 1 1 98 98 LEU CA C 13 57.884 0.15 . 1 . . . . 98 LEU CA . 17319 1 1154 . 1 1 98 98 LEU CB C 13 42.403 0.15 . 1 . . . . 98 LEU CB . 17319 1 1155 . 1 1 98 98 LEU CG C 13 27.558 0.15 . 1 . . . . 98 LEU CG . 17319 1 1156 . 1 1 98 98 LEU CD1 C 13 27.790 0.15 . 2 . . . . 98 LEU CD1 . 17319 1 1157 . 1 1 98 98 LEU CD2 C 13 22.875 0.15 . 2 . . . . 98 LEU CD2 . 17319 1 1158 . 1 1 98 98 LEU N N 15 119.665 0.12 . 1 . . . . 98 LEU N . 17319 1 1159 . 1 1 99 99 TRP H H 1 9.386 0.024 . 1 . . . . 99 TRP H . 17319 1 1160 . 1 1 99 99 TRP HA H 1 4.981 0.024 . 1 . . . . 99 TRP HA . 17319 1 1161 . 1 1 99 99 TRP HB2 H 1 3.461 0.024 . 2 . . . . 99 TRP HB2 . 17319 1 1162 . 1 1 99 99 TRP HD1 H 1 7.346 0.024 . 1 . . . . 99 TRP HD1 . 17319 1 1163 . 1 1 99 99 TRP HE1 H 1 10.474 0.024 . 1 . . . . 99 TRP HE1 . 17319 1 1164 . 1 1 99 99 TRP HE3 H 1 7.598 0.024 . 1 . . . . 99 TRP HE3 . 17319 1 1165 . 1 1 99 99 TRP HZ2 H 1 7.351 0.024 . 1 . . . . 99 TRP HZ2 . 17319 1 1166 . 1 1 99 99 TRP HZ3 H 1 6.612 0.024 . 1 . . . . 99 TRP HZ3 . 17319 1 1167 . 1 1 99 99 TRP HH2 H 1 7.181 0.024 . 1 . . . . 99 TRP HH2 . 17319 1 1168 . 1 1 99 99 TRP C C 13 176.466 0.15 . 1 . . . . 99 TRP C . 17319 1 1169 . 1 1 99 99 TRP CA C 13 59.635 0.15 . 1 . . . . 99 TRP CA . 17319 1 1170 . 1 1 99 99 TRP CB C 13 30.693 0.15 . 1 . . . . 99 TRP CB . 17319 1 1171 . 1 1 99 99 TRP CD1 C 13 128.250 0.15 . 1 . . . . 99 TRP CD1 . 17319 1 1172 . 1 1 99 99 TRP CE3 C 13 120.257 0.15 . 1 . . . . 99 TRP CE3 . 17319 1 1173 . 1 1 99 99 TRP CZ2 C 13 115.406 0.15 . 1 . . . . 99 TRP CZ2 . 17319 1 1174 . 1 1 99 99 TRP CZ3 C 13 121.943 0.15 . 1 . . . . 99 TRP CZ3 . 17319 1 1175 . 1 1 99 99 TRP CH2 C 13 123.494 0.15 . 1 . . . . 99 TRP CH2 . 17319 1 1176 . 1 1 99 99 TRP N N 15 121.753 0.12 . 1 . . . . 99 TRP N . 17319 1 1177 . 1 1 99 99 TRP NE1 N 15 130.386 0.12 . 1 . . . . 99 TRP NE1 . 17319 1 1178 . 1 1 100 100 ALA H H 1 7.769 0.024 . 1 . . . . 100 ALA H . 17319 1 1179 . 1 1 100 100 ALA HA H 1 3.923 0.024 . 1 . . . . 100 ALA HA . 17319 1 1180 . 1 1 100 100 ALA HB1 H 1 1.544 0.024 . 1 . . . . 100 ALA QB . 17319 1 1181 . 1 1 100 100 ALA HB2 H 1 1.544 0.024 . 1 . . . . 100 ALA QB . 17319 1 1182 . 1 1 100 100 ALA HB3 H 1 1.544 0.024 . 1 . . . . 100 ALA QB . 17319 1 1183 . 1 1 100 100 ALA C C 13 181.424 0.15 . 1 . . . . 100 ALA C . 17319 1 1184 . 1 1 100 100 ALA CA C 13 55.659 0.15 . 1 . . . . 100 ALA CA . 17319 1 1185 . 1 1 100 100 ALA CB C 13 17.880 0.15 . 1 . . . . 100 ALA CB . 17319 1 1186 . 1 1 100 100 ALA N N 15 120.302 0.12 . 1 . . . . 100 ALA N . 17319 1 1187 . 1 1 101 101 ASP H H 1 8.409 0.024 . 1 . . . . 101 ASP H . 17319 1 1188 . 1 1 101 101 ASP HA H 1 4.360 0.024 . 1 . . . . 101 ASP HA . 17319 1 1189 . 1 1 101 101 ASP HB2 H 1 2.855 0.024 . 2 . . . . 101 ASP HB2 . 17319 1 1190 . 1 1 101 101 ASP HB3 H 1 2.712 0.024 . 2 . . . . 101 ASP HB3 . 17319 1 1191 . 1 1 101 101 ASP C C 13 178.440 0.15 . 1 . . . . 101 ASP C . 17319 1 1192 . 1 1 101 101 ASP CA C 13 57.435 0.15 . 1 . . . . 101 ASP CA . 17319 1 1193 . 1 1 101 101 ASP CB C 13 40.148 0.15 . 1 . . . . 101 ASP CB . 17319 1 1194 . 1 1 101 101 ASP N N 15 119.811 0.12 . 1 . . . . 101 ASP N . 17319 1 1195 . 1 1 102 102 TYR H H 1 8.111 0.024 . 1 . . . . 102 TYR H . 17319 1 1196 . 1 1 102 102 TYR HA H 1 4.289 0.024 . 1 . . . . 102 TYR HA . 17319 1 1197 . 1 1 102 102 TYR HB2 H 1 3.202 0.024 . 2 . . . . 102 TYR HB2 . 17319 1 1198 . 1 1 102 102 TYR HB3 H 1 2.959 0.024 . 2 . . . . 102 TYR HB3 . 17319 1 1199 . 1 1 102 102 TYR HD1 H 1 6.875 0.024 . 3 . . . . 102 TYR QD . 17319 1 1200 . 1 1 102 102 TYR HD2 H 1 6.875 0.024 . 3 . . . . 102 TYR QD . 17319 1 1201 . 1 1 102 102 TYR C C 13 176.620 0.15 . 1 . . . . 102 TYR C . 17319 1 1202 . 1 1 102 102 TYR CA C 13 61.104 0.15 . 1 . . . . 102 TYR CA . 17319 1 1203 . 1 1 102 102 TYR CB C 13 37.673 0.15 . 1 . . . . 102 TYR CB . 17319 1 1204 . 1 1 102 102 TYR CD1 C 13 134.123 0.15 . 3 . . . . 102 TYR CD1 . 17319 1 1205 . 1 1 102 102 TYR N N 15 123.522 0.12 . 1 . . . . 102 TYR N . 17319 1 1206 . 1 1 103 103 LEU H H 1 8.084 0.024 . 1 . . . . 103 LEU H . 17319 1 1207 . 1 1 103 103 LEU HA H 1 3.303 0.024 . 1 . . . . 103 LEU HA . 17319 1 1208 . 1 1 103 103 LEU HB2 H 1 1.622 0.024 . 2 . . . . 103 LEU HB2 . 17319 1 1209 . 1 1 103 103 LEU HB3 H 1 1.067 0.024 . 2 . . . . 103 LEU HB3 . 17319 1 1210 . 1 1 103 103 LEU HG H 1 0.947 0.024 . 1 . . . . 103 LEU HG . 17319 1 1211 . 1 1 103 103 LEU HD11 H 1 0.607 0.024 . 2 . . . . 103 LEU QD1 . 17319 1 1212 . 1 1 103 103 LEU HD12 H 1 0.607 0.024 . 2 . . . . 103 LEU QD1 . 17319 1 1213 . 1 1 103 103 LEU HD13 H 1 0.607 0.024 . 2 . . . . 103 LEU QD1 . 17319 1 1214 . 1 1 103 103 LEU HD21 H 1 0.365 0.024 . 2 . . . . 103 LEU QD2 . 17319 1 1215 . 1 1 103 103 LEU HD22 H 1 0.365 0.024 . 2 . . . . 103 LEU QD2 . 17319 1 1216 . 1 1 103 103 LEU HD23 H 1 0.365 0.024 . 2 . . . . 103 LEU QD2 . 17319 1 1217 . 1 1 103 103 LEU C C 13 180.897 0.15 . 1 . . . . 103 LEU C . 17319 1 1218 . 1 1 103 103 LEU CA C 13 57.591 0.15 . 1 . . . . 103 LEU CA . 17319 1 1219 . 1 1 103 103 LEU CB C 13 41.045 0.15 . 1 . . . . 103 LEU CB . 17319 1 1220 . 1 1 103 103 LEU CG C 13 25.847 0.15 . 1 . . . . 103 LEU CG . 17319 1 1221 . 1 1 103 103 LEU CD1 C 13 25.672 0.15 . 2 . . . . 103 LEU CD1 . 17319 1 1222 . 1 1 103 103 LEU CD2 C 13 22.288 0.15 . 2 . . . . 103 LEU CD2 . 17319 1 1223 . 1 1 103 103 LEU N N 15 117.756 0.12 . 1 . . . . 103 LEU N . 17319 1 1224 . 1 1 104 104 ALA H H 1 7.703 0.024 . 1 . . . . 104 ALA H . 17319 1 1225 . 1 1 104 104 ALA HA H 1 4.063 0.024 . 1 . . . . 104 ALA HA . 17319 1 1226 . 1 1 104 104 ALA HB1 H 1 1.434 0.024 . 1 . . . . 104 ALA QB . 17319 1 1227 . 1 1 104 104 ALA HB2 H 1 1.434 0.024 . 1 . . . . 104 ALA QB . 17319 1 1228 . 1 1 104 104 ALA HB3 H 1 1.434 0.024 . 1 . . . . 104 ALA QB . 17319 1 1229 . 1 1 104 104 ALA C C 13 180.511 0.15 . 1 . . . . 104 ALA C . 17319 1 1230 . 1 1 104 104 ALA CA C 13 54.834 0.15 . 1 . . . . 104 ALA CA . 17319 1 1231 . 1 1 104 104 ALA CB C 13 18.067 0.15 . 1 . . . . 104 ALA CB . 17319 1 1232 . 1 1 104 104 ALA N N 15 121.778 0.12 . 1 . . . . 104 ALA N . 17319 1 1233 . 1 1 105 105 GLU H H 1 8.064 0.024 . 1 . . . . 105 GLU H . 17319 1 1234 . 1 1 105 105 GLU HA H 1 3.891 0.024 . 1 . . . . 105 GLU HA . 17319 1 1235 . 1 1 105 105 GLU HB2 H 1 1.914 0.024 . 2 . . . . 105 GLU HB2 . 17319 1 1236 . 1 1 105 105 GLU HB3 H 1 2.091 0.024 . 2 . . . . 105 GLU HB3 . 17319 1 1237 . 1 1 105 105 GLU HG2 H 1 2.338 0.024 . 2 . . . . 105 GLU HG2 . 17319 1 1238 . 1 1 105 105 GLU HG3 H 1 2.241 0.024 . 2 . . . . 105 GLU HG3 . 17319 1 1239 . 1 1 105 105 GLU C C 13 179.995 0.15 . 1 . . . . 105 GLU C . 17319 1 1240 . 1 1 105 105 GLU CA C 13 59.159 0.15 . 1 . . . . 105 GLU CA . 17319 1 1241 . 1 1 105 105 GLU CB C 13 29.163 0.15 . 1 . . . . 105 GLU CB . 17319 1 1242 . 1 1 105 105 GLU CG C 13 36.133 0.15 . 1 . . . . 105 GLU CG . 17319 1 1243 . 1 1 105 105 GLU N N 15 122.293 0.12 . 1 . . . . 105 GLU N . 17319 1 1244 . 1 1 106 106 LEU H H 1 8.284 0.024 . 1 . . . . 106 LEU H . 17319 1 1245 . 1 1 106 106 LEU HA H 1 3.463 0.024 . 1 . . . . 106 LEU HA . 17319 1 1246 . 1 1 106 106 LEU HB2 H 1 1.203 0.024 . 2 . . . . 106 LEU HB2 . 17319 1 1247 . 1 1 106 106 LEU HB3 H 1 1.310 0.024 . 2 . . . . 106 LEU HB3 . 17319 1 1248 . 1 1 106 106 LEU HG H 1 0.449 0.024 . 1 . . . . 106 LEU HG . 17319 1 1249 . 1 1 106 106 LEU HD11 H 1 0.480 0.024 . 2 . . . . 106 LEU QD1 . 17319 1 1250 . 1 1 106 106 LEU HD12 H 1 0.480 0.024 . 2 . . . . 106 LEU QD1 . 17319 1 1251 . 1 1 106 106 LEU HD13 H 1 0.480 0.024 . 2 . . . . 106 LEU QD1 . 17319 1 1252 . 1 1 106 106 LEU HD21 H 1 0.797 0.024 . 2 . . . . 106 LEU QD2 . 17319 1 1253 . 1 1 106 106 LEU HD22 H 1 0.797 0.024 . 2 . . . . 106 LEU QD2 . 17319 1 1254 . 1 1 106 106 LEU HD23 H 1 0.797 0.024 . 2 . . . . 106 LEU QD2 . 17319 1 1255 . 1 1 106 106 LEU C C 13 179.062 0.15 . 1 . . . . 106 LEU C . 17319 1 1256 . 1 1 106 106 LEU CA C 13 58.234 0.15 . 1 . . . . 106 LEU CA . 17319 1 1257 . 1 1 106 106 LEU CB C 13 41.787 0.15 . 1 . . . . 106 LEU CB . 17319 1 1258 . 1 1 106 106 LEU CG C 13 27.302 0.15 . 1 . . . . 106 LEU CG . 17319 1 1259 . 1 1 106 106 LEU CD1 C 13 23.932 0.15 . 2 . . . . 106 LEU CD1 . 17319 1 1260 . 1 1 106 106 LEU CD2 C 13 25.526 0.15 . 2 . . . . 106 LEU CD2 . 17319 1 1261 . 1 1 106 106 LEU N N 15 120.364 0.12 . 1 . . . . 106 LEU N . 17319 1 1262 . 1 1 107 107 ALA H H 1 7.459 0.024 . 1 . . . . 107 ALA H . 17319 1 1263 . 1 1 107 107 ALA HA H 1 4.057 0.024 . 1 . . . . 107 ALA HA . 17319 1 1264 . 1 1 107 107 ALA HB1 H 1 1.379 0.024 . 1 . . . . 107 ALA QB . 17319 1 1265 . 1 1 107 107 ALA HB2 H 1 1.379 0.024 . 1 . . . . 107 ALA QB . 17319 1 1266 . 1 1 107 107 ALA HB3 H 1 1.379 0.024 . 1 . . . . 107 ALA QB . 17319 1 1267 . 1 1 107 107 ALA C C 13 181.698 0.15 . 1 . . . . 107 ALA C . 17319 1 1268 . 1 1 107 107 ALA CA C 13 54.815 0.15 . 1 . . . . 107 ALA CA . 17319 1 1269 . 1 1 107 107 ALA CB C 13 17.872 0.15 . 1 . . . . 107 ALA CB . 17319 1 1270 . 1 1 107 107 ALA N N 15 119.446 0.12 . 1 . . . . 107 ALA N . 17319 1 1271 . 1 1 108 108 SER H H 1 7.975 0.024 . 1 . . . . 108 SER H . 17319 1 1272 . 1 1 108 108 SER HA H 1 4.077 0.024 . 1 . . . . 108 SER HA . 17319 1 1273 . 1 1 108 108 SER HB2 H 1 3.844 0.024 . 2 . . . . 108 SER HB2 . 17319 1 1274 . 1 1 108 108 SER HB3 H 1 3.859 0.024 . 2 . . . . 108 SER HB3 . 17319 1 1275 . 1 1 108 108 SER C C 13 175.542 0.15 . 1 . . . . 108 SER C . 17319 1 1276 . 1 1 108 108 SER CA C 13 61.178 0.15 . 1 . . . . 108 SER CA . 17319 1 1277 . 1 1 108 108 SER CB C 13 62.936 0.15 . 1 . . . . 108 SER CB . 17319 1 1278 . 1 1 108 108 SER N N 15 114.612 0.12 . 1 . . . . 108 SER N . 17319 1 1279 . 1 1 109 109 ALA H H 1 7.628 0.024 . 1 . . . . 109 ALA H . 17319 1 1280 . 1 1 109 109 ALA HA H 1 4.231 0.024 . 1 . . . . 109 ALA HA . 17319 1 1281 . 1 1 109 109 ALA HB1 H 1 1.215 0.024 . 1 . . . . 109 ALA QB . 17319 1 1282 . 1 1 109 109 ALA HB2 H 1 1.215 0.024 . 1 . . . . 109 ALA QB . 17319 1 1283 . 1 1 109 109 ALA HB3 H 1 1.215 0.024 . 1 . . . . 109 ALA QB . 17319 1 1284 . 1 1 109 109 ALA C C 13 177.677 0.15 . 1 . . . . 109 ALA C . 17319 1 1285 . 1 1 109 109 ALA CA C 13 52.109 0.15 . 1 . . . . 109 ALA CA . 17319 1 1286 . 1 1 109 109 ALA CB C 13 19.818 0.15 . 1 . . . . 109 ALA CB . 17319 1 1287 . 1 1 109 109 ALA N N 15 120.621 0.12 . 1 . . . . 109 ALA N . 17319 1 1288 . 1 1 110 110 GLY H H 1 7.712 0.024 . 1 . . . . 110 GLY H . 17319 1 1289 . 1 1 110 110 GLY HA2 H 1 3.788 0.024 . 2 . . . . 110 GLY QA . 17319 1 1290 . 1 1 110 110 GLY HA3 H 1 3.788 0.024 . 2 . . . . 110 GLY QA . 17319 1 1291 . 1 1 110 110 GLY C C 13 174.719 0.15 . 1 . . . . 110 GLY C . 17319 1 1292 . 1 1 110 110 GLY CA C 13 46.570 0.15 . 1 . . . . 110 GLY CA . 17319 1 1293 . 1 1 110 110 GLY N N 15 108.208 0.12 . 1 . . . . 110 GLY N . 17319 1 1294 . 1 1 111 111 LYS H H 1 7.568 0.024 . 1 . . . . 111 LYS H . 17319 1 1295 . 1 1 111 111 LYS HA H 1 4.399 0.024 . 1 . . . . 111 LYS HA . 17319 1 1296 . 1 1 111 111 LYS HB2 H 1 1.142 0.024 . 2 . . . . 111 LYS HB2 . 17319 1 1297 . 1 1 111 111 LYS HG2 H 1 0.632 0.024 . 2 . . . . 111 LYS HG2 . 17319 1 1298 . 1 1 111 111 LYS HG3 H 1 0.782 0.024 . 2 . . . . 111 LYS HG3 . 17319 1 1299 . 1 1 111 111 LYS HD2 H 1 0.423 0.024 . 2 . . . . 111 LYS HD2 . 17319 1 1300 . 1 1 111 111 LYS HD3 H 1 0.956 0.024 . 2 . . . . 111 LYS HD3 . 17319 1 1301 . 1 1 111 111 LYS HE2 H 1 2.536 0.024 . 2 . . . . 111 LYS HE2 . 17319 1 1302 . 1 1 111 111 LYS HE3 H 1 2.455 0.024 . 2 . . . . 111 LYS HE3 . 17319 1 1303 . 1 1 111 111 LYS C C 13 174.236 0.15 . 1 . . . . 111 LYS C . 17319 1 1304 . 1 1 111 111 LYS CA C 13 52.681 0.15 . 1 . . . . 111 LYS CA . 17319 1 1305 . 1 1 111 111 LYS CB C 13 35.617 0.15 . 1 . . . . 111 LYS CB . 17319 1 1306 . 1 1 111 111 LYS CG C 13 24.549 0.15 . 1 . . . . 111 LYS CG . 17319 1 1307 . 1 1 111 111 LYS CD C 13 27.867 0.15 . 1 . . . . 111 LYS CD . 17319 1 1308 . 1 1 111 111 LYS CE C 13 42.403 0.15 . 1 . . . . 111 LYS CE . 17319 1 1309 . 1 1 111 111 LYS N N 15 117.166 0.12 . 1 . . . . 111 LYS N . 17319 1 1310 . 1 1 112 112 SER H H 1 8.054 0.024 . 1 . . . . 112 SER H . 17319 1 1311 . 1 1 112 112 SER HA H 1 4.742 0.024 . 1 . . . . 112 SER HA . 17319 1 1312 . 1 1 112 112 SER HB2 H 1 3.769 0.024 . 2 . . . . 112 SER HB2 . 17319 1 1313 . 1 1 112 112 SER HB3 H 1 3.628 0.024 . 2 . . . . 112 SER HB3 . 17319 1 1314 . 1 1 112 112 SER C C 13 175.243 0.15 . 1 . . . . 112 SER C . 17319 1 1315 . 1 1 112 112 SER CA C 13 55.849 0.15 . 1 . . . . 112 SER CA . 17319 1 1316 . 1 1 112 112 SER CB C 13 65.178 0.15 . 1 . . . . 112 SER CB . 17319 1 1317 . 1 1 112 112 SER N N 15 112.008 0.12 . 1 . . . . 112 SER N . 17319 1 1318 . 1 1 113 113 ARG H H 1 8.885 0.024 . 1 . . . . 113 ARG H . 17319 1 1319 . 1 1 113 113 ARG HA H 1 4.553 0.024 . 1 . . . . 113 ARG HA . 17319 1 1320 . 1 1 113 113 ARG HB2 H 1 2.433 0.024 . 2 . . . . 113 ARG HB2 . 17319 1 1321 . 1 1 113 113 ARG HB3 H 1 1.517 0.024 . 2 . . . . 113 ARG HB3 . 17319 1 1322 . 1 1 113 113 ARG HG2 H 1 1.940 0.024 . 2 . . . . 113 ARG HG2 . 17319 1 1323 . 1 1 113 113 ARG HG3 H 1 1.760 0.024 . 2 . . . . 113 ARG HG3 . 17319 1 1324 . 1 1 113 113 ARG HD2 H 1 3.233 0.024 . 2 . . . . 113 ARG HD2 . 17319 1 1325 . 1 1 113 113 ARG HD3 H 1 3.158 0.024 . 2 . . . . 113 ARG HD3 . 17319 1 1326 . 1 1 113 113 ARG HE H 1 9.549 0.024 . 1 . . . . 113 ARG HE . 17319 1 1327 . 1 1 113 113 ARG C C 13 176.728 0.15 . 1 . . . . 113 ARG C . 17319 1 1328 . 1 1 113 113 ARG CA C 13 57.918 0.15 . 1 . . . . 113 ARG CA . 17319 1 1329 . 1 1 113 113 ARG CB C 13 32.834 0.15 . 1 . . . . 113 ARG CB . 17319 1 1330 . 1 1 113 113 ARG CG C 13 26.225 0.15 . 1 . . . . 113 ARG CG . 17319 1 1331 . 1 1 113 113 ARG CD C 13 44.948 0.15 . 1 . . . . 113 ARG CD . 17319 1 1332 . 1 1 113 113 ARG N N 15 124.650 0.12 . 1 . . . . 113 ARG N . 17319 1 1333 . 1 1 113 113 ARG NE N 15 83.909 0.12 . 1 . . . . 113 ARG NE . 17319 1 1334 . 1 1 114 114 ASP H H 1 8.445 0.024 . 1 . . . . 114 ASP H . 17319 1 1335 . 1 1 114 114 ASP HA H 1 4.575 0.024 . 1 . . . . 114 ASP HA . 17319 1 1336 . 1 1 114 114 ASP HB2 H 1 2.776 0.024 . 2 . . . . 114 ASP HB2 . 17319 1 1337 . 1 1 114 114 ASP HB3 H 1 2.431 0.024 . 2 . . . . 114 ASP HB3 . 17319 1 1338 . 1 1 114 114 ASP CA C 13 51.886 0.15 . 1 . . . . 114 ASP CA . 17319 1 1339 . 1 1 114 114 ASP CB C 13 41.586 0.15 . 1 . . . . 114 ASP CB . 17319 1 1340 . 1 1 114 114 ASP N N 15 118.329 0.12 . 1 . . . . 114 ASP N . 17319 1 1341 . 1 1 115 115 PRO HA H 1 4.412 0.024 . 1 . . . . 115 PRO HA . 17319 1 1342 . 1 1 115 115 PRO HB2 H 1 2.029 0.024 . 2 . . . . 115 PRO HB2 . 17319 1 1343 . 1 1 115 115 PRO HB3 H 1 2.383 0.024 . 2 . . . . 115 PRO HB3 . 17319 1 1344 . 1 1 115 115 PRO HG2 H 1 1.950 0.024 . 2 . . . . 115 PRO HG2 . 17319 1 1345 . 1 1 115 115 PRO HG3 H 1 2.073 0.024 . 2 . . . . 115 PRO HG3 . 17319 1 1346 . 1 1 115 115 PRO HD2 H 1 3.980 0.024 . 2 . . . . 115 PRO HD2 . 17319 1 1347 . 1 1 115 115 PRO HD3 H 1 3.679 0.024 . 2 . . . . 115 PRO HD3 . 17319 1 1348 . 1 1 115 115 PRO C C 13 176.865 0.15 . 1 . . . . 115 PRO C . 17319 1 1349 . 1 1 115 115 PRO CA C 13 63.753 0.15 . 1 . . . . 115 PRO CA . 17319 1 1350 . 1 1 115 115 PRO CB C 13 32.270 0.15 . 1 . . . . 115 PRO CB . 17319 1 1351 . 1 1 115 115 PRO CG C 13 27.141 0.15 . 1 . . . . 115 PRO CG . 17319 1 1352 . 1 1 115 115 PRO CD C 13 50.915 0.15 . 1 . . . . 115 PRO CD . 17319 1 1353 . 1 1 116 116 ASP H H 1 8.438 0.024 . 1 . . . . 116 ASP H . 17319 1 1354 . 1 1 116 116 ASP HA H 1 4.583 0.024 . 1 . . . . 116 ASP HA . 17319 1 1355 . 1 1 116 116 ASP HB2 H 1 2.711 0.024 . 2 . . . . 116 ASP HB2 . 17319 1 1356 . 1 1 116 116 ASP HB3 H 1 2.556 0.024 . 2 . . . . 116 ASP HB3 . 17319 1 1357 . 1 1 116 116 ASP C C 13 176.487 0.15 . 1 . . . . 116 ASP C . 17319 1 1358 . 1 1 116 116 ASP CA C 13 54.722 0.15 . 1 . . . . 116 ASP CA . 17319 1 1359 . 1 1 116 116 ASP CB C 13 41.175 0.15 . 1 . . . . 116 ASP CB . 17319 1 1360 . 1 1 116 116 ASP N N 15 120.224 0.12 . 1 . . . . 116 ASP N . 17319 1 1361 . 1 1 117 117 GLU H H 1 7.915 0.024 . 1 . . . . 117 GLU H . 17319 1 1362 . 1 1 117 117 GLU HA H 1 4.214 0.024 . 1 . . . . 117 GLU HA . 17319 1 1363 . 1 1 117 117 GLU HB2 H 1 1.906 0.024 . 2 . . . . 117 GLU HB2 . 17319 1 1364 . 1 1 117 117 GLU HB3 H 1 2.055 0.024 . 2 . . . . 117 GLU HB3 . 17319 1 1365 . 1 1 117 117 GLU HG2 H 1 2.219 0.024 . 2 . . . . 117 GLU HG2 . 17319 1 1366 . 1 1 117 117 GLU HG3 H 1 2.164 0.024 . 2 . . . . 117 GLU HG3 . 17319 1 1367 . 1 1 117 117 GLU C C 13 176.418 0.15 . 1 . . . . 117 GLU C . 17319 1 1368 . 1 1 117 117 GLU CA C 13 56.696 0.15 . 1 . . . . 117 GLU CA . 17319 1 1369 . 1 1 117 117 GLU CB C 13 30.162 0.15 . 1 . . . . 117 GLU CB . 17319 1 1370 . 1 1 117 117 GLU CG C 13 36.450 0.15 . 1 . . . . 117 GLU CG . 17319 1 1371 . 1 1 117 117 GLU N N 15 121.155 0.12 . 1 . . . . 117 GLU N . 17319 1 1372 . 1 1 118 118 SER H H 1 8.248 0.024 . 1 . . . . 118 SER H . 17319 1 1373 . 1 1 118 118 SER HA H 1 4.383 0.024 . 1 . . . . 118 SER HA . 17319 1 1374 . 1 1 118 118 SER HB2 H 1 3.816 0.024 . 2 . . . . 118 SER QB . 17319 1 1375 . 1 1 118 118 SER HB3 H 1 3.816 0.024 . 2 . . . . 118 SER QB . 17319 1 1376 . 1 1 118 118 SER C C 13 174.313 0.15 . 1 . . . . 118 SER C . 17319 1 1377 . 1 1 118 118 SER CA C 13 58.641 0.15 . 1 . . . . 118 SER CA . 17319 1 1378 . 1 1 118 118 SER CB C 13 63.780 0.15 . 1 . . . . 118 SER CB . 17319 1 1379 . 1 1 118 118 SER N N 15 117.038 0.12 . 1 . . . . 118 SER N . 17319 1 1380 . 1 1 119 119 VAL H H 1 7.918 0.024 . 1 . . . . 119 VAL H . 17319 1 1381 . 1 1 119 119 VAL HA H 1 4.071 0.024 . 1 . . . . 119 VAL HA . 17319 1 1382 . 1 1 119 119 VAL HB H 1 2.004 0.024 . 1 . . . . 119 VAL HB . 17319 1 1383 . 1 1 119 119 VAL HG11 H 1 0.856 0.024 . 2 . . . . 119 VAL QQG . 17319 1 1384 . 1 1 119 119 VAL HG12 H 1 0.856 0.024 . 2 . . . . 119 VAL QQG . 17319 1 1385 . 1 1 119 119 VAL HG13 H 1 0.856 0.024 . 2 . . . . 119 VAL QQG . 17319 1 1386 . 1 1 119 119 VAL HG21 H 1 0.856 0.024 . 2 . . . . 119 VAL QQG . 17319 1 1387 . 1 1 119 119 VAL HG22 H 1 0.856 0.024 . 2 . . . . 119 VAL QQG . 17319 1 1388 . 1 1 119 119 VAL HG23 H 1 0.856 0.024 . 2 . . . . 119 VAL QQG . 17319 1 1389 . 1 1 119 119 VAL C C 13 175.861 0.15 . 1 . . . . 119 VAL C . 17319 1 1390 . 1 1 119 119 VAL CA C 13 62.335 0.15 . 1 . . . . 119 VAL CA . 17319 1 1391 . 1 1 119 119 VAL CB C 13 32.944 0.15 . 1 . . . . 119 VAL CB . 17319 1 1392 . 1 1 119 119 VAL CG2 C 13 20.859 0.15 . 2 . . . . 119 VAL CG2 . 17319 1 1393 . 1 1 119 119 VAL N N 15 121.965 0.12 . 1 . . . . 119 VAL N . 17319 1 1394 . 1 1 120 120 VAL H H 1 8.148 0.024 . 1 . . . . 120 VAL H . 17319 1 1395 . 1 1 120 120 VAL HA H 1 4.005 0.024 . 1 . . . . 120 VAL HA . 17319 1 1396 . 1 1 120 120 VAL HB H 1 1.955 0.024 . 1 . . . . 120 VAL HB . 17319 1 1397 . 1 1 120 120 VAL C C 13 173.586 0.15 . 1 . . . . 120 VAL C . 17319 1 1398 . 1 1 120 120 VAL CA C 13 62.597 0.15 . 1 . . . . 120 VAL CA . 17319 1 1399 . 1 1 120 120 VAL CB C 13 32.772 0.15 . 1 . . . . 120 VAL CB . 17319 1 1400 . 1 1 120 120 VAL N N 15 125.314 0.12 . 1 . . . . 120 VAL N . 17319 1 1401 . 1 1 121 121 LYS H H 1 7.926 0.024 . 1 . . . . 121 LYS H . 17319 1 1402 . 1 1 121 121 LYS HA H 1 4.095 0.024 . 1 . . . . 121 LYS HA . 17319 1 1403 . 1 1 121 121 LYS HB2 H 1 1.620 0.024 . 2 . . . . 121 LYS QB . 17319 1 1404 . 1 1 121 121 LYS HB3 H 1 1.620 0.024 . 2 . . . . 121 LYS QB . 17319 1 1405 . 1 1 121 121 LYS HG2 H 1 1.335 0.024 . 2 . . . . 121 LYS QG . 17319 1 1406 . 1 1 121 121 LYS HG3 H 1 1.335 0.024 . 2 . . . . 121 LYS QG . 17319 1 1407 . 1 1 121 121 LYS HD2 H 1 1.202 0.024 . 2 . . . . 121 LYS QD . 17319 1 1408 . 1 1 121 121 LYS HD3 H 1 1.202 0.024 . 2 . . . . 121 LYS QD . 17319 1 1409 . 1 1 121 121 LYS HE2 H 1 2.923 0.024 . 2 . . . . 121 LYS QE . 17319 1 1410 . 1 1 121 121 LYS HE3 H 1 2.923 0.024 . 2 . . . . 121 LYS QE . 17319 1 1411 . 1 1 121 121 LYS CA C 13 57.499 0.15 . 1 . . . . 121 LYS CA . 17319 1 1412 . 1 1 121 121 LYS CB C 13 34.015 0.15 . 1 . . . . 121 LYS CB . 17319 1 1413 . 1 1 121 121 LYS CG C 13 29.879 0.15 . 1 . . . . 121 LYS CG . 17319 1 1414 . 1 1 121 121 LYS CE C 13 42.195 0.15 . 1 . . . . 121 LYS CE . 17319 1 1415 . 1 1 121 121 LYS N N 15 131.216 0.12 . 1 . . . . 121 LYS N . 17319 1 1416 . 1 1 123 123 MET H H 1 8.288 0.024 . 1 . . . . 123 MET H . 17319 1 1417 . 1 1 123 123 MET HA H 1 4.472 0.024 . 1 . . . . 123 MET HA . 17319 1 1418 . 1 1 123 123 MET CA C 13 55.493 0.15 . 1 . . . . 123 MET CA . 17319 1 1419 . 1 1 123 123 MET N N 15 122.360 0.12 . 1 . . . . 123 MET N . 17319 1 1420 . 1 1 124 124 LEU H H 1 7.750 0.024 . 1 . . . . 124 LEU H . 17319 1 1421 . 1 1 124 124 LEU HA H 1 4.116 0.024 . 1 . . . . 124 LEU HA . 17319 1 1422 . 1 1 124 124 LEU CA C 13 56.638 0.15 . 1 . . . . 124 LEU CA . 17319 1 1423 . 1 1 124 124 LEU N N 15 129.287 0.12 . 1 . . . . 124 LEU N . 17319 1 stop_ save_