data_18966 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18966 _Entry.Title ; Global folded of the type IV pilin ComP from Neisseria meningitidis ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-01-21 _Entry.Accession_date 2013-01-21 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'low resolution solution structure' _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 Peter Simpson . . . 18966 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18966 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'DNA uptake' . 18966 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18966 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 466 18966 '15N chemical shifts' 93 18966 '1H chemical shifts' 709 18966 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-28 2013-01-21 update BMRB 'update entry citation' 18966 1 . . 2013-02-11 2013-01-21 original author 'original release' 18966 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2M3K 'BMRB Entry Tracking System' 18966 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18966 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23386723 _Citation.Full_citation . _Citation.Title 'Specific DNA recognition mediated by a type IV pilin.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Proc. Natl. Acad. Sci. U.S.A.' _Citation.Journal_name_full 'Proceedings of the National Academy of Sciences of the United States of America' _Citation.Journal_volume 110 _Citation.Journal_issue 8 _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 3065 _Citation.Page_last 3070 _Citation.Year 2013 _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 Ana Cehovin . . . 18966 1 2 Peter Simpson . J. . 18966 1 3 Melanie McDowell . A. . 18966 1 4 Daniel Brown . R. . 18966 1 5 Rossella Noschese . . . 18966 1 6 Mitchell Pallett . . . 18966 1 7 Jacob Brady . . . 18966 1 8 Geoffrey Baldwin . S. . 18966 1 9 Susan Lea . M. . 18966 1 10 Stephen Matthews . J. . 18966 1 11 Vladimir Pelicic . . . 18966 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18966 _Assembly.ID 1 _Assembly.Name ComP _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 ComP 1 $ComP A . yes native no no . . . 18966 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_ComP _Entity.Sf_category entity _Entity.Sf_framecode ComP _Entity.Entry_ID 18966 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name ComP _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 ; ISEFEKAKINAVRAALLENA HFMEKFYLQNGRFKQTSTKW PSLPIKEAEGFCIRLNGIAR GALDSKFMLKAVAIDKDKNP FIIKMNENLVTFICKKSASS CSDGLDYFKGNDKDCKLFK ; _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 119 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state . _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 13512.874 _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 2M3K . "Global Fold Of The Type Iv Pilin Comp From Neisseria Meningitidis" . . . . . 100.00 119 100.00 100.00 8.93e-80 . . . . 18966 1 2 no EMBL CAM07712 . "putative pilin [Neisseria meningitidis Z2491]" . . . . . 96.64 149 98.26 98.26 4.52e-76 . . . . 18966 1 3 no EMBL CAM11151 . "putative pilin [Neisseria meningitidis FAM18]" . . . . . 96.64 149 99.13 99.13 1.32e-76 . . . . 18966 1 4 no EMBL CAX50978 . "minor pilin ComP [Neisseria meningitidis 8013]" . . . . . 96.64 149 100.00 100.00 2.30e-77 . . . . 18966 1 5 no EMBL CBA03591 . "putative type IV pilus protein [Neisseria meningitidis alpha14]" . . . . . 96.64 149 99.13 99.13 1.25e-76 . . . . 18966 1 6 no EMBL CBN88156 . "putative pilin [Neisseria lactamica 020-06]" . . . . . 96.64 149 97.39 97.39 6.98e-75 . . . . 18966 1 7 no GB AAF62338 . "type IV pilin-related protein [Neisseria meningitidis MC58]" . . . . . 96.64 149 99.13 99.13 1.25e-76 . . . . 18966 1 8 no GB AAW89839 . "pilin [Neisseria gonorrhoeae FA 1090]" . . . . . 96.64 149 99.13 99.13 1.25e-76 . . . . 18966 1 9 no GB ABX72399 . "type IV pilin-related protein [Neisseria meningitidis 053442]" . . . . . 96.64 149 99.13 99.13 1.25e-76 . . . . 18966 1 10 no GB ADO32435 . "hypothetical protein NMBB_2312B [Neisseria meningitidis alpha710]" . . . . . 96.64 149 99.13 99.13 1.25e-76 . . . . 18966 1 11 no GB ADY94460 . "hypothetical protein NMBG2136_1796 [Neisseria meningitidis G2136]" . . . . . 96.64 149 99.13 99.13 1.32e-76 . . . . 18966 1 12 no REF NP_275008 . "type IV pilin-like protein [Neisseria meningitidis MC58]" . . . . . 96.64 149 99.13 99.13 1.25e-76 . . . . 18966 1 13 no REF WP_002214937 . "MULTISPECIES: pilus assembly protein PilE [Neisseria]" . . . . . 96.64 149 99.13 99.13 1.25e-76 . . . . 18966 1 14 no REF WP_002218144 . "prepilin-type N-terminal cleavage/methylation domain-containing protein [Neisseria meningitidis]" . . . . . 96.64 149 100.00 100.00 2.30e-77 . . . . 18966 1 15 no REF WP_002221685 . "prepilin-type cleavage/methylation protein [Neisseria meningitidis]" . . . . . 96.64 149 99.13 99.13 1.32e-76 . . . . 18966 1 16 no REF WP_002233205 . "minor pilin ComP [Neisseria meningitidis]" . . . . . 96.64 149 98.26 99.13 7.39e-76 . . . . 18966 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 1 ILE . 18966 1 2 2 SER . 18966 1 3 3 GLU . 18966 1 4 4 PHE . 18966 1 5 5 GLU . 18966 1 6 6 LYS . 18966 1 7 7 ALA . 18966 1 8 8 LYS . 18966 1 9 9 ILE . 18966 1 10 10 ASN . 18966 1 11 11 ALA . 18966 1 12 12 VAL . 18966 1 13 13 ARG . 18966 1 14 14 ALA . 18966 1 15 15 ALA . 18966 1 16 16 LEU . 18966 1 17 17 LEU . 18966 1 18 18 GLU . 18966 1 19 19 ASN . 18966 1 20 20 ALA . 18966 1 21 21 HIS . 18966 1 22 22 PHE . 18966 1 23 23 MET . 18966 1 24 24 GLU . 18966 1 25 25 LYS . 18966 1 26 26 PHE . 18966 1 27 27 TYR . 18966 1 28 28 LEU . 18966 1 29 29 GLN . 18966 1 30 30 ASN . 18966 1 31 31 GLY . 18966 1 32 32 ARG . 18966 1 33 33 PHE . 18966 1 34 34 LYS . 18966 1 35 35 GLN . 18966 1 36 36 THR . 18966 1 37 37 SER . 18966 1 38 38 THR . 18966 1 39 39 LYS . 18966 1 40 40 TRP . 18966 1 41 41 PRO . 18966 1 42 42 SER . 18966 1 43 43 LEU . 18966 1 44 44 PRO . 18966 1 45 45 ILE . 18966 1 46 46 LYS . 18966 1 47 47 GLU . 18966 1 48 48 ALA . 18966 1 49 49 GLU . 18966 1 50 50 GLY . 18966 1 51 51 PHE . 18966 1 52 52 CYS . 18966 1 53 53 ILE . 18966 1 54 54 ARG . 18966 1 55 55 LEU . 18966 1 56 56 ASN . 18966 1 57 57 GLY . 18966 1 58 58 ILE . 18966 1 59 59 ALA . 18966 1 60 60 ARG . 18966 1 61 61 GLY . 18966 1 62 62 ALA . 18966 1 63 63 LEU . 18966 1 64 64 ASP . 18966 1 65 65 SER . 18966 1 66 66 LYS . 18966 1 67 67 PHE . 18966 1 68 68 MET . 18966 1 69 69 LEU . 18966 1 70 70 LYS . 18966 1 71 71 ALA . 18966 1 72 72 VAL . 18966 1 73 73 ALA . 18966 1 74 74 ILE . 18966 1 75 75 ASP . 18966 1 76 76 LYS . 18966 1 77 77 ASP . 18966 1 78 78 LYS . 18966 1 79 79 ASN . 18966 1 80 80 PRO . 18966 1 81 81 PHE . 18966 1 82 82 ILE . 18966 1 83 83 ILE . 18966 1 84 84 LYS . 18966 1 85 85 MET . 18966 1 86 86 ASN . 18966 1 87 87 GLU . 18966 1 88 88 ASN . 18966 1 89 89 LEU . 18966 1 90 90 VAL . 18966 1 91 91 THR . 18966 1 92 92 PHE . 18966 1 93 93 ILE . 18966 1 94 94 CYS . 18966 1 95 95 LYS . 18966 1 96 96 LYS . 18966 1 97 97 SER . 18966 1 98 98 ALA . 18966 1 99 99 SER . 18966 1 100 100 SER . 18966 1 101 101 CYS . 18966 1 102 102 SER . 18966 1 103 103 ASP . 18966 1 104 104 GLY . 18966 1 105 105 LEU . 18966 1 106 106 ASP . 18966 1 107 107 TYR . 18966 1 108 108 PHE . 18966 1 109 109 LYS . 18966 1 110 110 GLY . 18966 1 111 111 ASN . 18966 1 112 112 ASP . 18966 1 113 113 LYS . 18966 1 114 114 ASP . 18966 1 115 115 CYS . 18966 1 116 116 LYS . 18966 1 117 117 LEU . 18966 1 118 118 PHE . 18966 1 119 119 LYS . 18966 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 . ILE 1 1 18966 1 . SER 2 2 18966 1 . GLU 3 3 18966 1 . PHE 4 4 18966 1 . GLU 5 5 18966 1 . LYS 6 6 18966 1 . ALA 7 7 18966 1 . LYS 8 8 18966 1 . ILE 9 9 18966 1 . ASN 10 10 18966 1 . ALA 11 11 18966 1 . VAL 12 12 18966 1 . ARG 13 13 18966 1 . ALA 14 14 18966 1 . ALA 15 15 18966 1 . LEU 16 16 18966 1 . LEU 17 17 18966 1 . GLU 18 18 18966 1 . ASN 19 19 18966 1 . ALA 20 20 18966 1 . HIS 21 21 18966 1 . PHE 22 22 18966 1 . MET 23 23 18966 1 . GLU 24 24 18966 1 . LYS 25 25 18966 1 . PHE 26 26 18966 1 . TYR 27 27 18966 1 . LEU 28 28 18966 1 . GLN 29 29 18966 1 . ASN 30 30 18966 1 . GLY 31 31 18966 1 . ARG 32 32 18966 1 . PHE 33 33 18966 1 . LYS 34 34 18966 1 . GLN 35 35 18966 1 . THR 36 36 18966 1 . SER 37 37 18966 1 . THR 38 38 18966 1 . LYS 39 39 18966 1 . TRP 40 40 18966 1 . PRO 41 41 18966 1 . SER 42 42 18966 1 . LEU 43 43 18966 1 . PRO 44 44 18966 1 . ILE 45 45 18966 1 . LYS 46 46 18966 1 . GLU 47 47 18966 1 . ALA 48 48 18966 1 . GLU 49 49 18966 1 . GLY 50 50 18966 1 . PHE 51 51 18966 1 . CYS 52 52 18966 1 . ILE 53 53 18966 1 . ARG 54 54 18966 1 . LEU 55 55 18966 1 . ASN 56 56 18966 1 . GLY 57 57 18966 1 . ILE 58 58 18966 1 . ALA 59 59 18966 1 . ARG 60 60 18966 1 . GLY 61 61 18966 1 . ALA 62 62 18966 1 . LEU 63 63 18966 1 . ASP 64 64 18966 1 . SER 65 65 18966 1 . LYS 66 66 18966 1 . PHE 67 67 18966 1 . MET 68 68 18966 1 . LEU 69 69 18966 1 . LYS 70 70 18966 1 . ALA 71 71 18966 1 . VAL 72 72 18966 1 . ALA 73 73 18966 1 . ILE 74 74 18966 1 . ASP 75 75 18966 1 . LYS 76 76 18966 1 . ASP 77 77 18966 1 . LYS 78 78 18966 1 . ASN 79 79 18966 1 . PRO 80 80 18966 1 . PHE 81 81 18966 1 . ILE 82 82 18966 1 . ILE 83 83 18966 1 . LYS 84 84 18966 1 . MET 85 85 18966 1 . ASN 86 86 18966 1 . GLU 87 87 18966 1 . ASN 88 88 18966 1 . LEU 89 89 18966 1 . VAL 90 90 18966 1 . THR 91 91 18966 1 . PHE 92 92 18966 1 . ILE 93 93 18966 1 . CYS 94 94 18966 1 . LYS 95 95 18966 1 . LYS 96 96 18966 1 . SER 97 97 18966 1 . ALA 98 98 18966 1 . SER 99 99 18966 1 . SER 100 100 18966 1 . CYS 101 101 18966 1 . SER 102 102 18966 1 . ASP 103 103 18966 1 . GLY 104 104 18966 1 . LEU 105 105 18966 1 . ASP 106 106 18966 1 . TYR 107 107 18966 1 . PHE 108 108 18966 1 . LYS 109 109 18966 1 . GLY 110 110 18966 1 . ASN 111 111 18966 1 . ASP 112 112 18966 1 . LYS 113 113 18966 1 . ASP 114 114 18966 1 . CYS 115 115 18966 1 . LYS 116 116 18966 1 . LEU 117 117 18966 1 . PHE 118 118 18966 1 . LYS 119 119 18966 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 18966 _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 $ComP . 487 organism . 'Neisseria meningitidis' b-proteobacteria . . Bacteria . Neisseria meningitidis . . . . . . . . . . . . . . . . . . . . . 18966 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 18966 _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 $ComP . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . n/a . . . . . . 18966 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18966 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details COmP _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 ComP '[U-100% 13C; U-100% 15N]' . . 1 $ComP . . . 0.1 0.5 mM . . . . 18966 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18966 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18966 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 18966 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.05 . M 18966 1 pH 6.7 . pH 18966 1 pressure 1 . atm 18966 1 temperature 310 . K 18966 1 stop_ save_ ############################ # Computer software used # ############################ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 18966 _Software.ID 1 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Linge, O'Donoghue and Nilges' . . 18966 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18966 1 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 18966 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 18966 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 18966 _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 DRX . 800 . . . 18966 1 2 spectrometer_2 Bruker DRX . 600 . . . 18966 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 18966 _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 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18966 1 2 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18966 1 3 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18966 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18966 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 18966 _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 . . . . . . . . . 18966 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18966 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18966 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 18966 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 3 '3D HCCH-TOCSY' . . . 18966 1 4 '3D HNCACB' . . . 18966 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 SER HA H 1 4.663 0.000 . 1 . . . A 2 SER HA . 18966 1 2 . 1 1 3 3 GLU HA H 1 4.075 0.000 . 1 . . . A 3 GLU HA . 18966 1 3 . 1 1 3 3 GLU HB2 H 1 2.007 0.000 . 2 . . . A 3 GLU HB2 . 18966 1 4 . 1 1 3 3 GLU HB3 H 1 2.007 0.000 . 2 . . . A 3 GLU HB3 . 18966 1 5 . 1 1 3 3 GLU HG2 H 1 2.320 0.000 . 2 . . . A 3 GLU HG2 . 18966 1 6 . 1 1 3 3 GLU HG3 H 1 2.320 0.000 . 2 . . . A 3 GLU HG3 . 18966 1 7 . 1 1 3 3 GLU C C 13 178.915 0.000 . 1 . . . A 3 GLU C . 18966 1 8 . 1 1 3 3 GLU CA C 13 59.945 0.000 . 1 . . . A 3 GLU CA . 18966 1 9 . 1 1 3 3 GLU CB C 13 29.360 0.000 . 1 . . . A 3 GLU CB . 18966 1 10 . 1 1 3 3 GLU CG C 13 36.172 0.000 . 1 . . . A 3 GLU CG . 18966 1 11 . 1 1 4 4 PHE H H 1 8.106 0.000 . 1 . . . A 4 PHE H . 18966 1 12 . 1 1 4 4 PHE HA H 1 4.475 0.000 . 1 . . . A 4 PHE HA . 18966 1 13 . 1 1 4 4 PHE HB2 H 1 3.106 0.000 . 2 . . . A 4 PHE HB2 . 18966 1 14 . 1 1 4 4 PHE HB3 H 1 3.138 0.000 . 2 . . . A 4 PHE HB3 . 18966 1 15 . 1 1 4 4 PHE HD1 H 1 7.310 0.000 . 3 . . . A 4 PHE HD1 . 18966 1 16 . 1 1 4 4 PHE HD2 H 1 7.310 0.000 . 3 . . . A 4 PHE HD2 . 18966 1 17 . 1 1 4 4 PHE HE1 H 1 7.046 0.000 . 3 . . . A 4 PHE HE1 . 18966 1 18 . 1 1 4 4 PHE HE2 H 1 7.046 0.000 . 3 . . . A 4 PHE HE2 . 18966 1 19 . 1 1 4 4 PHE HZ H 1 6.809 0.000 . 1 . . . A 4 PHE HZ . 18966 1 20 . 1 1 4 4 PHE C C 13 178.124 0.000 . 1 . . . A 4 PHE C . 18966 1 21 . 1 1 4 4 PHE CA C 13 60.166 0.000 . 1 . . . A 4 PHE CA . 18966 1 22 . 1 1 4 4 PHE CB C 13 39.236 0.000 . 1 . . . A 4 PHE CB . 18966 1 23 . 1 1 4 4 PHE CD1 C 13 131.677 0.000 . 3 . . . A 4 PHE CD1 . 18966 1 24 . 1 1 4 4 PHE CD2 C 13 131.677 0.000 . 3 . . . A 4 PHE CD2 . 18966 1 25 . 1 1 4 4 PHE CE1 C 13 129.490 0.000 . 3 . . . A 4 PHE CE1 . 18966 1 26 . 1 1 4 4 PHE CE2 C 13 129.490 0.000 . 3 . . . A 4 PHE CE2 . 18966 1 27 . 1 1 4 4 PHE CZ C 13 130.583 0.000 . 1 . . . A 4 PHE CZ . 18966 1 28 . 1 1 4 4 PHE N N 15 119.447 0.000 . 1 . . . A 4 PHE N . 18966 1 29 . 1 1 5 5 GLU H H 1 7.893 0.000 . 1 . . . A 5 GLU H . 18966 1 30 . 1 1 5 5 GLU HA H 1 4.036 0.000 . 1 . . . A 5 GLU HA . 18966 1 31 . 1 1 5 5 GLU HB2 H 1 1.885 0.000 . 2 . . . A 5 GLU HB2 . 18966 1 32 . 1 1 5 5 GLU HB3 H 1 2.315 0.000 . 2 . . . A 5 GLU HB3 . 18966 1 33 . 1 1 5 5 GLU HG2 H 1 2.422 0.000 . 2 . . . A 5 GLU HG2 . 18966 1 34 . 1 1 5 5 GLU HG3 H 1 2.422 0.000 . 2 . . . A 5 GLU HG3 . 18966 1 35 . 1 1 5 5 GLU C C 13 178.285 0.000 . 1 . . . A 5 GLU C . 18966 1 36 . 1 1 5 5 GLU CA C 13 59.429 0.000 . 1 . . . A 5 GLU CA . 18966 1 37 . 1 1 5 5 GLU CB C 13 30.171 0.000 . 1 . . . A 5 GLU CB . 18966 1 38 . 1 1 5 5 GLU CG C 13 37.425 0.000 . 1 . . . A 5 GLU CG . 18966 1 39 . 1 1 5 5 GLU N N 15 120.904 0.000 . 1 . . . A 5 GLU N . 18966 1 40 . 1 1 6 6 LYS H H 1 8.502 0.000 . 1 . . . A 6 LYS H . 18966 1 41 . 1 1 6 6 LYS HA H 1 3.771 0.000 . 1 . . . A 6 LYS HA . 18966 1 42 . 1 1 6 6 LYS HB2 H 1 1.918 0.000 . 2 . . . A 6 LYS HB2 . 18966 1 43 . 1 1 6 6 LYS HB3 H 1 1.918 0.000 . 2 . . . A 6 LYS HB3 . 18966 1 44 . 1 1 6 6 LYS HG2 H 1 1.428 0.000 . 2 . . . A 6 LYS HG2 . 18966 1 45 . 1 1 6 6 LYS HG3 H 1 1.598 0.000 . 2 . . . A 6 LYS HG3 . 18966 1 46 . 1 1 6 6 LYS HD2 H 1 1.735 0.000 . 2 . . . A 6 LYS HD2 . 18966 1 47 . 1 1 6 6 LYS HD3 H 1 1.735 0.000 . 2 . . . A 6 LYS HD3 . 18966 1 48 . 1 1 6 6 LYS HE2 H 1 2.905 0.000 . 2 . . . A 6 LYS HE2 . 18966 1 49 . 1 1 6 6 LYS HE3 H 1 2.905 0.000 . 2 . . . A 6 LYS HE3 . 18966 1 50 . 1 1 6 6 LYS C C 13 177.824 0.000 . 1 . . . A 6 LYS C . 18966 1 51 . 1 1 6 6 LYS CA C 13 60.755 0.000 . 1 . . . A 6 LYS CA . 18966 1 52 . 1 1 6 6 LYS CB C 13 32.603 0.000 . 1 . . . A 6 LYS CB . 18966 1 53 . 1 1 6 6 LYS CG C 13 25.885 0.000 . 1 . . . A 6 LYS CG . 18966 1 54 . 1 1 6 6 LYS CD C 13 29.436 0.000 . 1 . . . A 6 LYS CD . 18966 1 55 . 1 1 6 6 LYS CE C 13 41.907 0.000 . 1 . . . A 6 LYS CE . 18966 1 56 . 1 1 6 6 LYS N N 15 119.956 0.000 . 1 . . . A 6 LYS N . 18966 1 57 . 1 1 7 7 ALA H H 1 7.929 0.000 . 1 . . . A 7 ALA H . 18966 1 58 . 1 1 7 7 ALA HA H 1 4.201 0.000 . 1 . . . A 7 ALA HA . 18966 1 59 . 1 1 7 7 ALA HB1 H 1 1.537 0.000 . 1 . . . A 7 ALA HB1 . 18966 1 60 . 1 1 7 7 ALA HB2 H 1 1.537 0.000 . 1 . . . A 7 ALA HB2 . 18966 1 61 . 1 1 7 7 ALA HB3 H 1 1.537 0.000 . 1 . . . A 7 ALA HB3 . 18966 1 62 . 1 1 7 7 ALA C C 13 180.808 0.000 . 1 . . . A 7 ALA C . 18966 1 63 . 1 1 7 7 ALA CA C 13 55.891 0.000 . 1 . . . A 7 ALA CA . 18966 1 64 . 1 1 7 7 ALA CB C 13 17.863 0.000 . 1 . . . A 7 ALA CB . 18966 1 65 . 1 1 7 7 ALA N N 15 120.338 0.000 . 1 . . . A 7 ALA N . 18966 1 66 . 1 1 8 8 LYS H H 1 7.550 0.000 . 1 . . . A 8 LYS H . 18966 1 67 . 1 1 8 8 LYS HA H 1 4.146 0.000 . 1 . . . A 8 LYS HA . 18966 1 68 . 1 1 8 8 LYS HB2 H 1 2.013 0.000 . 2 . . . A 8 LYS HB2 . 18966 1 69 . 1 1 8 8 LYS HB3 H 1 2.013 0.000 . 2 . . . A 8 LYS HB3 . 18966 1 70 . 1 1 8 8 LYS HG2 H 1 1.526 0.000 . 2 . . . A 8 LYS HG2 . 18966 1 71 . 1 1 8 8 LYS HG3 H 1 1.623 0.000 . 2 . . . A 8 LYS HG3 . 18966 1 72 . 1 1 8 8 LYS HD2 H 1 1.940 0.000 . 2 . . . A 8 LYS HD2 . 18966 1 73 . 1 1 8 8 LYS HD3 H 1 1.940 0.000 . 2 . . . A 8 LYS HD3 . 18966 1 74 . 1 1 8 8 LYS HE2 H 1 3.138 0.000 . 2 . . . A 8 LYS HE2 . 18966 1 75 . 1 1 8 8 LYS HE3 H 1 3.138 0.000 . 2 . . . A 8 LYS HE3 . 18966 1 76 . 1 1 8 8 LYS C C 13 178.184 0.000 . 1 . . . A 8 LYS C . 18966 1 77 . 1 1 8 8 LYS CA C 13 58.839 0.000 . 1 . . . A 8 LYS CA . 18966 1 78 . 1 1 8 8 LYS CB C 13 31.571 0.000 . 1 . . . A 8 LYS CB . 18966 1 79 . 1 1 8 8 LYS CG C 13 23.974 0.000 . 1 . . . A 8 LYS CG . 18966 1 80 . 1 1 8 8 LYS CD C 13 28.616 0.000 . 1 . . . A 8 LYS CD . 18966 1 81 . 1 1 8 8 LYS CE C 13 41.907 0.000 . 1 . . . A 8 LYS CE . 18966 1 82 . 1 1 8 8 LYS N N 15 119.984 0.000 . 1 . . . A 8 LYS N . 18966 1 83 . 1 1 9 9 ILE H H 1 8.215 0.000 . 1 . . . A 9 ILE H . 18966 1 84 . 1 1 9 9 ILE HA H 1 3.194 0.000 . 1 . . . A 9 ILE HA . 18966 1 85 . 1 1 9 9 ILE HB H 1 1.480 0.000 . 1 . . . A 9 ILE HB . 18966 1 86 . 1 1 9 9 ILE HG12 H 1 0.501 0.000 . 1 . . . A 9 ILE HG12 . 18966 1 87 . 1 1 9 9 ILE HG13 H 1 0.501 0.000 . 1 . . . A 9 ILE HG13 . 18966 1 88 . 1 1 9 9 ILE HG21 H 1 -0.065 0.000 . 1 . . . A 9 ILE HG21 . 18966 1 89 . 1 1 9 9 ILE HG22 H 1 -0.065 0.000 . 1 . . . A 9 ILE HG22 . 18966 1 90 . 1 1 9 9 ILE HG23 H 1 -0.065 0.000 . 1 . . . A 9 ILE HG23 . 18966 1 91 . 1 1 9 9 ILE HD11 H 1 0.224 0.000 . 1 . . . A 9 ILE HD11 . 18966 1 92 . 1 1 9 9 ILE HD12 H 1 0.224 0.000 . 1 . . . A 9 ILE HD12 . 18966 1 93 . 1 1 9 9 ILE HD13 H 1 0.224 0.000 . 1 . . . A 9 ILE HD13 . 18966 1 94 . 1 1 9 9 ILE C C 13 178.144 0.000 . 1 . . . A 9 ILE C . 18966 1 95 . 1 1 9 9 ILE CA C 13 65.398 0.000 . 1 . . . A 9 ILE CA . 18966 1 96 . 1 1 9 9 ILE CB C 13 37.541 0.000 . 1 . . . A 9 ILE CB . 18966 1 97 . 1 1 9 9 ILE CG1 C 13 29.527 0.000 . 1 . . . A 9 ILE CG1 . 18966 1 98 . 1 1 9 9 ILE CG2 C 13 16.782 0.000 . 1 . . . A 9 ILE CG2 . 18966 1 99 . 1 1 9 9 ILE CD1 C 13 13.505 0.000 . 1 . . . A 9 ILE CD1 . 18966 1 100 . 1 1 9 9 ILE N N 15 118.841 0.000 . 1 . . . A 9 ILE N . 18966 1 101 . 1 1 10 10 ASN H H 1 8.487 0.000 . 1 . . . A 10 ASN H . 18966 1 102 . 1 1 10 10 ASN HA H 1 4.439 0.000 . 1 . . . A 10 ASN HA . 18966 1 103 . 1 1 10 10 ASN HB2 H 1 2.736 0.000 . 2 . . . A 10 ASN HB2 . 18966 1 104 . 1 1 10 10 ASN HB3 H 1 2.874 0.000 . 2 . . . A 10 ASN HB3 . 18966 1 105 . 1 1 10 10 ASN C C 13 178.084 0.000 . 1 . . . A 10 ASN C . 18966 1 106 . 1 1 10 10 ASN CA C 13 56.481 0.000 . 1 . . . A 10 ASN CA . 18966 1 107 . 1 1 10 10 ASN CB C 13 38.130 0.000 . 1 . . . A 10 ASN CB . 18966 1 108 . 1 1 10 10 ASN N N 15 117.437 0.000 . 1 . . . A 10 ASN N . 18966 1 109 . 1 1 11 11 ALA H H 1 7.839 0.000 . 1 . . . A 11 ALA H . 18966 1 110 . 1 1 11 11 ALA HA H 1 4.283 0.000 . 1 . . . A 11 ALA HA . 18966 1 111 . 1 1 11 11 ALA HB1 H 1 1.546 0.000 . 1 . . . A 11 ALA HB1 . 18966 1 112 . 1 1 11 11 ALA HB2 H 1 1.546 0.000 . 1 . . . A 11 ALA HB2 . 18966 1 113 . 1 1 11 11 ALA HB3 H 1 1.546 0.000 . 1 . . . A 11 ALA HB3 . 18966 1 114 . 1 1 11 11 ALA C C 13 180.728 0.000 . 1 . . . A 11 ALA C . 18966 1 115 . 1 1 11 11 ALA CA C 13 55.449 0.000 . 1 . . . A 11 ALA CA . 18966 1 116 . 1 1 11 11 ALA CB C 13 18.379 0.000 . 1 . . . A 11 ALA CB . 18966 1 117 . 1 1 11 11 ALA N N 15 124.470 0.000 . 1 . . . A 11 ALA N . 18966 1 118 . 1 1 12 12 VAL H H 1 8.081 0.000 . 1 . . . A 12 VAL H . 18966 1 119 . 1 1 12 12 VAL HA H 1 3.340 0.000 . 1 . . . A 12 VAL HA . 18966 1 120 . 1 1 12 12 VAL HB H 1 1.665 0.000 . 1 . . . A 12 VAL HB . 18966 1 121 . 1 1 12 12 VAL HG11 H 1 0.319 0.000 . 2 . . . A 12 VAL HG11 . 18966 1 122 . 1 1 12 12 VAL HG12 H 1 0.319 0.000 . 2 . . . A 12 VAL HG12 . 18966 1 123 . 1 1 12 12 VAL HG13 H 1 0.319 0.000 . 2 . . . A 12 VAL HG13 . 18966 1 124 . 1 1 12 12 VAL HG21 H 1 0.360 0.000 . 2 . . . A 12 VAL HG21 . 18966 1 125 . 1 1 12 12 VAL HG22 H 1 0.360 0.000 . 2 . . . A 12 VAL HG22 . 18966 1 126 . 1 1 12 12 VAL HG23 H 1 0.360 0.000 . 2 . . . A 12 VAL HG23 . 18966 1 127 . 1 1 12 12 VAL C C 13 178.305 0.000 . 1 . . . A 12 VAL C . 18966 1 128 . 1 1 12 12 VAL CA C 13 66.725 0.000 . 1 . . . A 12 VAL CA . 18966 1 129 . 1 1 12 12 VAL CB C 13 31.203 0.000 . 1 . . . A 12 VAL CB . 18966 1 130 . 1 1 12 12 VAL CG1 C 13 22.517 0.000 . 1 . . . A 12 VAL CG1 . 18966 1 131 . 1 1 12 12 VAL CG2 C 13 21.243 0.000 . 1 . . . A 12 VAL CG2 . 18966 1 132 . 1 1 12 12 VAL N N 15 120.626 0.000 . 1 . . . A 12 VAL N . 18966 1 133 . 1 1 13 13 ARG H H 1 9.007 0.000 . 1 . . . A 13 ARG H . 18966 1 134 . 1 1 13 13 ARG HA H 1 3.675 0.000 . 1 . . . A 13 ARG HA . 18966 1 135 . 1 1 13 13 ARG HB2 H 1 1.986 0.000 . 2 . . . A 13 ARG HB2 . 18966 1 136 . 1 1 13 13 ARG HB3 H 1 1.986 0.000 . 2 . . . A 13 ARG HB3 . 18966 1 137 . 1 1 13 13 ARG HG2 H 1 1.526 0.000 . 2 . . . A 13 ARG HG2 . 18966 1 138 . 1 1 13 13 ARG HG3 H 1 1.526 0.000 . 2 . . . A 13 ARG HG3 . 18966 1 139 . 1 1 13 13 ARG HD2 H 1 3.268 0.000 . 2 . . . A 13 ARG HD2 . 18966 1 140 . 1 1 13 13 ARG HD3 H 1 3.268 0.000 . 2 . . . A 13 ARG HD3 . 18966 1 141 . 1 1 13 13 ARG C C 13 177.043 0.000 . 1 . . . A 13 ARG C . 18966 1 142 . 1 1 13 13 ARG CA C 13 60.387 0.000 . 1 . . . A 13 ARG CA . 18966 1 143 . 1 1 13 13 ARG CB C 13 30.024 0.000 . 1 . . . A 13 ARG CB . 18966 1 144 . 1 1 13 13 ARG CG C 13 26.705 0.000 . 1 . . . A 13 ARG CG . 18966 1 145 . 1 1 13 13 ARG CD C 13 43.818 0.000 . 1 . . . A 13 ARG CD . 18966 1 146 . 1 1 13 13 ARG N N 15 120.199 0.000 . 1 . . . A 13 ARG N . 18966 1 147 . 1 1 14 14 ALA H H 1 7.574 0.000 . 1 . . . A 14 ALA H . 18966 1 148 . 1 1 14 14 ALA HA H 1 4.100 0.000 . 1 . . . A 14 ALA HA . 18966 1 149 . 1 1 14 14 ALA HB1 H 1 1.546 0.000 . 1 . . . A 14 ALA HB1 . 18966 1 150 . 1 1 14 14 ALA HB2 H 1 1.546 0.000 . 1 . . . A 14 ALA HB2 . 18966 1 151 . 1 1 14 14 ALA HB3 H 1 1.546 0.000 . 1 . . . A 14 ALA HB3 . 18966 1 152 . 1 1 14 14 ALA C C 13 180.207 0.000 . 1 . . . A 14 ALA C . 18966 1 153 . 1 1 14 14 ALA CA C 13 55.965 0.000 . 1 . . . A 14 ALA CA . 18966 1 154 . 1 1 14 14 ALA CB C 13 17.937 0.000 . 1 . . . A 14 ALA CB . 18966 1 155 . 1 1 14 14 ALA N N 15 120.291 0.000 . 1 . . . A 14 ALA N . 18966 1 156 . 1 1 15 15 ALA H H 1 7.128 0.000 . 1 . . . A 15 ALA H . 18966 1 157 . 1 1 15 15 ALA HA H 1 4.256 0.000 . 1 . . . A 15 ALA HA . 18966 1 158 . 1 1 15 15 ALA HB1 H 1 1.364 0.000 . 1 . . . A 15 ALA HB1 . 18966 1 159 . 1 1 15 15 ALA HB2 H 1 1.364 0.000 . 1 . . . A 15 ALA HB2 . 18966 1 160 . 1 1 15 15 ALA HB3 H 1 1.364 0.000 . 1 . . . A 15 ALA HB3 . 18966 1 161 . 1 1 15 15 ALA C C 13 180.147 0.000 . 1 . . . A 15 ALA C . 18966 1 162 . 1 1 15 15 ALA CA C 13 54.933 0.000 . 1 . . . A 15 ALA CA . 18966 1 163 . 1 1 15 15 ALA CB C 13 18.527 0.000 . 1 . . . A 15 ALA CB . 18966 1 164 . 1 1 15 15 ALA N N 15 121.489 0.000 . 1 . . . A 15 ALA N . 18966 1 165 . 1 1 16 16 LEU H H 1 8.328 0.000 . 1 . . . A 16 LEU H . 18966 1 166 . 1 1 16 16 LEU HA H 1 3.849 0.000 . 1 . . . A 16 LEU HA . 18966 1 167 . 1 1 16 16 LEU HB2 H 1 1.648 0.000 . 2 . . . A 16 LEU HB2 . 18966 1 168 . 1 1 16 16 LEU HB3 H 1 1.648 0.000 . 2 . . . A 16 LEU HB3 . 18966 1 169 . 1 1 16 16 LEU HG H 1 1.771 0.000 . 1 . . . A 16 LEU HG . 18966 1 170 . 1 1 16 16 LEU HD11 H 1 0.647 0.000 . 2 . . . A 16 LEU HD11 . 18966 1 171 . 1 1 16 16 LEU HD12 H 1 0.647 0.000 . 2 . . . A 16 LEU HD12 . 18966 1 172 . 1 1 16 16 LEU HD13 H 1 0.647 0.000 . 2 . . . A 16 LEU HD13 . 18966 1 173 . 1 1 16 16 LEU HD21 H 1 0.761 0.000 . 2 . . . A 16 LEU HD21 . 18966 1 174 . 1 1 16 16 LEU HD22 H 1 0.761 0.000 . 2 . . . A 16 LEU HD22 . 18966 1 175 . 1 1 16 16 LEU HD23 H 1 0.761 0.000 . 2 . . . A 16 LEU HD23 . 18966 1 176 . 1 1 16 16 LEU C C 13 178.385 0.000 . 1 . . . A 16 LEU C . 18966 1 177 . 1 1 16 16 LEU CA C 13 58.913 0.000 . 1 . . . A 16 LEU CA . 18966 1 178 . 1 1 16 16 LEU CB C 13 39.752 0.000 . 1 . . . A 16 LEU CB . 18966 1 179 . 1 1 16 16 LEU CG C 13 26.067 0.000 . 1 . . . A 16 LEU CG . 18966 1 180 . 1 1 16 16 LEU CD1 C 13 26.158 0.000 . 1 . . . A 16 LEU CD1 . 18966 1 181 . 1 1 16 16 LEU CD2 C 13 24.120 0.000 . 1 . . . A 16 LEU CD2 . 18966 1 182 . 1 1 16 16 LEU N N 15 117.977 0.000 . 1 . . . A 16 LEU N . 18966 1 183 . 1 1 17 17 LEU H H 1 8.690 0.000 . 1 . . . A 17 LEU H . 18966 1 184 . 1 1 17 17 LEU HA H 1 3.887 0.000 . 1 . . . A 17 LEU HA . 18966 1 185 . 1 1 17 17 LEU HB2 H 1 1.487 0.000 . 2 . . . A 17 LEU HB2 . 18966 1 186 . 1 1 17 17 LEU HB3 H 1 1.859 0.000 . 2 . . . A 17 LEU HB3 . 18966 1 187 . 1 1 17 17 LEU HG H 1 1.525 0.000 . 1 . . . A 17 LEU HG . 18966 1 188 . 1 1 17 17 LEU HD11 H 1 0.913 0.000 . 2 . . . A 17 LEU HD11 . 18966 1 189 . 1 1 17 17 LEU HD12 H 1 0.913 0.000 . 2 . . . A 17 LEU HD12 . 18966 1 190 . 1 1 17 17 LEU HD13 H 1 0.913 0.000 . 2 . . . A 17 LEU HD13 . 18966 1 191 . 1 1 17 17 LEU HD21 H 1 0.913 0.000 . 2 . . . A 17 LEU HD21 . 18966 1 192 . 1 1 17 17 LEU HD22 H 1 0.913 0.000 . 2 . . . A 17 LEU HD22 . 18966 1 193 . 1 1 17 17 LEU HD23 H 1 0.913 0.000 . 2 . . . A 17 LEU HD23 . 18966 1 194 . 1 1 17 17 LEU C C 13 178.945 0.000 . 1 . . . A 17 LEU C . 18966 1 195 . 1 1 17 17 LEU CA C 13 58.323 0.000 . 1 . . . A 17 LEU CA . 18966 1 196 . 1 1 17 17 LEU CB C 13 42.405 0.000 . 1 . . . A 17 LEU CB . 18966 1 197 . 1 1 17 17 LEU CG C 13 27.251 0.000 . 1 . . . A 17 LEU CG . 18966 1 198 . 1 1 17 17 LEU CD1 C 13 24.793 0.000 . 1 . . . A 17 LEU CD1 . 18966 1 199 . 1 1 17 17 LEU CD2 C 13 23.428 0.000 . 1 . . . A 17 LEU CD2 . 18966 1 200 . 1 1 17 17 LEU N N 15 119.317 0.000 . 1 . . . A 17 LEU N . 18966 1 201 . 1 1 18 18 GLU H H 1 7.459 0.000 . 1 . . . A 18 GLU H . 18966 1 202 . 1 1 18 18 GLU HA H 1 4.210 0.000 . 1 . . . A 18 GLU HA . 18966 1 203 . 1 1 18 18 GLU HB2 H 1 2.096 0.000 . 2 . . . A 18 GLU HB2 . 18966 1 204 . 1 1 18 18 GLU HB3 H 1 2.210 0.000 . 2 . . . A 18 GLU HB3 . 18966 1 205 . 1 1 18 18 GLU HG2 H 1 2.389 0.000 . 2 . . . A 18 GLU HG2 . 18966 1 206 . 1 1 18 18 GLU HG3 H 1 2.324 0.000 . 2 . . . A 18 GLU HG3 . 18966 1 207 . 1 1 18 18 GLU C C 13 180.868 0.000 . 1 . . . A 18 GLU C . 18966 1 208 . 1 1 18 18 GLU CA C 13 60.166 0.000 . 1 . . . A 18 GLU CA . 18966 1 209 . 1 1 18 18 GLU CB C 13 29.360 0.000 . 1 . . . A 18 GLU CB . 18966 1 210 . 1 1 18 18 GLU CG C 13 35.899 0.000 . 1 . . . A 18 GLU CG . 18966 1 211 . 1 1 18 18 GLU N N 15 119.247 0.000 . 1 . . . A 18 GLU N . 18966 1 212 . 1 1 19 19 ASN H H 1 7.900 0.000 . 1 . . . A 19 ASN H . 18966 1 213 . 1 1 19 19 ASN HA H 1 4.686 0.000 . 1 . . . A 19 ASN HA . 18966 1 214 . 1 1 19 19 ASN HB2 H 1 2.416 0.000 . 2 . . . A 19 ASN HB2 . 18966 1 215 . 1 1 19 19 ASN HB3 H 1 2.947 0.000 . 2 . . . A 19 ASN HB3 . 18966 1 216 . 1 1 19 19 ASN C C 13 177.423 0.000 . 1 . . . A 19 ASN C . 18966 1 217 . 1 1 19 19 ASN CA C 13 55.891 0.000 . 1 . . . A 19 ASN CA . 18966 1 218 . 1 1 19 19 ASN CB C 13 40.415 0.000 . 1 . . . A 19 ASN CB . 18966 1 219 . 1 1 19 19 ASN N N 15 119.223 0.000 . 1 . . . A 19 ASN N . 18966 1 220 . 1 1 20 20 ALA H H 1 9.354 0.000 . 1 . . . A 20 ALA H . 18966 1 221 . 1 1 20 20 ALA HA H 1 3.876 0.000 . 1 . . . A 20 ALA HA . 18966 1 222 . 1 1 20 20 ALA HB1 H 1 1.550 0.000 . 1 . . . A 20 ALA HB1 . 18966 1 223 . 1 1 20 20 ALA HB2 H 1 1.550 0.000 . 1 . . . A 20 ALA HB2 . 18966 1 224 . 1 1 20 20 ALA HB3 H 1 1.550 0.000 . 1 . . . A 20 ALA HB3 . 18966 1 225 . 1 1 20 20 ALA C C 13 179.847 0.000 . 1 . . . A 20 ALA C . 18966 1 226 . 1 1 20 20 ALA CA C 13 55.965 0.000 . 1 . . . A 20 ALA CA . 18966 1 227 . 1 1 20 20 ALA CB C 13 18.085 0.000 . 1 . . . A 20 ALA CB . 18966 1 228 . 1 1 20 20 ALA N N 15 126.103 0.000 . 1 . . . A 20 ALA N . 18966 1 229 . 1 1 21 21 HIS H H 1 8.536 0.000 . 1 . . . A 21 HIS H . 18966 1 230 . 1 1 21 21 HIS HA H 1 4.878 0.000 . 1 . . . A 21 HIS HA . 18966 1 231 . 1 1 21 21 HIS HB2 H 1 3.415 0.000 . 2 . . . A 21 HIS HB2 . 18966 1 232 . 1 1 21 21 HIS HB3 H 1 3.480 0.000 . 2 . . . A 21 HIS HB3 . 18966 1 233 . 1 1 21 21 HIS HD2 H 1 7.306 0.000 . 1 . . . A 21 HIS HD2 . 18966 1 234 . 1 1 21 21 HIS HE1 H 1 8.310 0.000 . 1 . . . A 21 HIS HE1 . 18966 1 235 . 1 1 21 21 HIS C C 13 178.365 0.000 . 1 . . . A 21 HIS C . 18966 1 236 . 1 1 21 21 HIS CA C 13 58.544 0.000 . 1 . . . A 21 HIS CA . 18966 1 237 . 1 1 21 21 HIS CB C 13 28.771 0.000 . 1 . . . A 21 HIS CB . 18966 1 238 . 1 1 21 21 HIS CD2 C 13 120.940 0.000 . 1 . . . A 21 HIS CD2 . 18966 1 239 . 1 1 21 21 HIS CE1 C 13 137.087 0.000 . 1 . . . A 21 HIS CE1 . 18966 1 240 . 1 1 21 21 HIS N N 15 117.886 0.000 . 1 . . . A 21 HIS N . 18966 1 241 . 1 1 22 22 PHE H H 1 7.856 0.000 . 1 . . . A 22 PHE H . 18966 1 242 . 1 1 22 22 PHE HA H 1 4.366 0.000 . 1 . . . A 22 PHE HA . 18966 1 243 . 1 1 22 22 PHE HB2 H 1 3.594 0.000 . 2 . . . A 22 PHE HB2 . 18966 1 244 . 1 1 22 22 PHE HB3 H 1 3.399 0.000 . 2 . . . A 22 PHE HB3 . 18966 1 245 . 1 1 22 22 PHE HD1 H 1 7.250 0.000 . 3 . . . A 22 PHE HD1 . 18966 1 246 . 1 1 22 22 PHE HD2 H 1 7.250 0.000 . 3 . . . A 22 PHE HD2 . 18966 1 247 . 1 1 22 22 PHE HE1 H 1 7.510 0.000 . 3 . . . A 22 PHE HE1 . 18966 1 248 . 1 1 22 22 PHE HE2 H 1 7.510 0.000 . 3 . . . A 22 PHE HE2 . 18966 1 249 . 1 1 22 22 PHE C C 13 177.183 0.000 . 1 . . . A 22 PHE C . 18966 1 250 . 1 1 22 22 PHE CA C 13 61.861 0.000 . 1 . . . A 22 PHE CA . 18966 1 251 . 1 1 22 22 PHE CB C 13 37.983 0.000 . 1 . . . A 22 PHE CB . 18966 1 252 . 1 1 22 22 PHE CD1 C 13 132.224 0.000 . 3 . . . A 22 PHE CD1 . 18966 1 253 . 1 1 22 22 PHE CD2 C 13 132.224 0.000 . 3 . . . A 22 PHE CD2 . 18966 1 254 . 1 1 22 22 PHE CE1 C 13 132.224 0.000 . 3 . . . A 22 PHE CE1 . 18966 1 255 . 1 1 22 22 PHE CE2 C 13 132.224 0.000 . 3 . . . A 22 PHE CE2 . 18966 1 256 . 1 1 22 22 PHE N N 15 121.723 0.000 . 1 . . . A 22 PHE N . 18966 1 257 . 1 1 23 23 MET H H 1 8.263 0.000 . 1 . . . A 23 MET H . 18966 1 258 . 1 1 23 23 MET HA H 1 3.861 0.000 . 1 . . . A 23 MET HA . 18966 1 259 . 1 1 23 23 MET HB2 H 1 1.429 0.000 . 2 . . . A 23 MET HB2 . 18966 1 260 . 1 1 23 23 MET HB3 H 1 1.429 0.000 . 2 . . . A 23 MET HB3 . 18966 1 261 . 1 1 23 23 MET HG2 H 1 2.695 0.000 . 2 . . . A 23 MET HG2 . 18966 1 262 . 1 1 23 23 MET HG3 H 1 2.695 0.000 . 2 . . . A 23 MET HG3 . 18966 1 263 . 1 1 23 23 MET HE1 H 1 1.884 0.000 . 1 . . . A 23 MET HE1 . 18966 1 264 . 1 1 23 23 MET HE2 H 1 1.884 0.000 . 1 . . . A 23 MET HE2 . 18966 1 265 . 1 1 23 23 MET HE3 H 1 1.884 0.000 . 1 . . . A 23 MET HE3 . 18966 1 266 . 1 1 23 23 MET C C 13 179.306 0.000 . 1 . . . A 23 MET C . 18966 1 267 . 1 1 23 23 MET CA C 13 56.407 0.000 . 1 . . . A 23 MET CA . 18966 1 268 . 1 1 23 23 MET CB C 13 30.466 0.000 . 1 . . . A 23 MET CB . 18966 1 269 . 1 1 23 23 MET CG C 13 31.438 0.000 . 1 . . . A 23 MET CG . 18966 1 270 . 1 1 23 23 MET CE C 13 17.624 0.000 . 1 . . . A 23 MET CE . 18966 1 271 . 1 1 23 23 MET N N 15 120.610 0.000 . 1 . . . A 23 MET N . 18966 1 272 . 1 1 24 24 GLU H H 1 8.528 0.000 . 1 . . . A 24 GLU H . 18966 1 273 . 1 1 24 24 GLU HA H 1 4.340 0.000 . 1 . . . A 24 GLU HA . 18966 1 274 . 1 1 24 24 GLU HB2 H 1 2.567 0.000 . 2 . . . A 24 GLU HB2 . 18966 1 275 . 1 1 24 24 GLU HB3 H 1 2.324 0.000 . 2 . . . A 24 GLU HB3 . 18966 1 276 . 1 1 24 24 GLU HG2 H 1 2.457 0.000 . 2 . . . A 24 GLU HG2 . 18966 1 277 . 1 1 24 24 GLU HG3 H 1 2.720 0.000 . 2 . . . A 24 GLU HG3 . 18966 1 278 . 1 1 24 24 GLU C C 13 179.366 0.000 . 1 . . . A 24 GLU C . 18966 1 279 . 1 1 24 24 GLU CA C 13 60.092 0.000 . 1 . . . A 24 GLU CA . 18966 1 280 . 1 1 24 24 GLU CB C 13 30.097 0.000 . 1 . . . A 24 GLU CB . 18966 1 281 . 1 1 24 24 GLU CG C 13 36.149 0.000 . 1 . . . A 24 GLU CG . 18966 1 282 . 1 1 24 24 GLU N N 15 120.489 0.000 . 1 . . . A 24 GLU N . 18966 1 283 . 1 1 25 25 LYS H H 1 7.874 0.000 . 1 . . . A 25 LYS H . 18966 1 284 . 1 1 25 25 LYS HA H 1 4.065 0.000 . 1 . . . A 25 LYS HA . 18966 1 285 . 1 1 25 25 LYS HB2 H 1 1.964 0.000 . 2 . . . A 25 LYS HB2 . 18966 1 286 . 1 1 25 25 LYS HB3 H 1 1.964 0.000 . 2 . . . A 25 LYS HB3 . 18966 1 287 . 1 1 25 25 LYS HG2 H 1 1.461 0.000 . 2 . . . A 25 LYS HG2 . 18966 1 288 . 1 1 25 25 LYS HG3 H 1 1.620 0.000 . 2 . . . A 25 LYS HG3 . 18966 1 289 . 1 1 25 25 LYS HD2 H 1 2.018 0.000 . 2 . . . A 25 LYS HD2 . 18966 1 290 . 1 1 25 25 LYS HD3 H 1 2.018 0.000 . 2 . . . A 25 LYS HD3 . 18966 1 291 . 1 1 25 25 LYS HE2 H 1 2.890 0.000 . 2 . . . A 25 LYS HE2 . 18966 1 292 . 1 1 25 25 LYS HE3 H 1 2.890 0.000 . 2 . . . A 25 LYS HE3 . 18966 1 293 . 1 1 25 25 LYS C C 13 179.066 0.000 . 1 . . . A 25 LYS C . 18966 1 294 . 1 1 25 25 LYS CA C 13 60.018 0.000 . 1 . . . A 25 LYS CA . 18966 1 295 . 1 1 25 25 LYS CB C 13 31.940 0.000 . 1 . . . A 25 LYS CB . 18966 1 296 . 1 1 25 25 LYS CG C 13 25.066 0.000 . 1 . . . A 25 LYS CG . 18966 1 297 . 1 1 25 25 LYS CD C 13 29.162 0.000 . 1 . . . A 25 LYS CD . 18966 1 298 . 1 1 25 25 LYS CE C 13 41.816 0.000 . 1 . . . A 25 LYS CE . 18966 1 299 . 1 1 25 25 LYS N N 15 120.507 0.000 . 1 . . . A 25 LYS N . 18966 1 300 . 1 1 26 26 PHE H H 1 8.786 0.000 . 1 . . . A 26 PHE H . 18966 1 301 . 1 1 26 26 PHE HA H 1 3.838 0.000 . 1 . . . A 26 PHE HA . 18966 1 302 . 1 1 26 26 PHE HB2 H 1 3.464 0.000 . 2 . . . A 26 PHE HB2 . 18966 1 303 . 1 1 26 26 PHE HB3 H 1 2.503 0.000 . 2 . . . A 26 PHE HB3 . 18966 1 304 . 1 1 26 26 PHE HD1 H 1 7.370 0.000 . 3 . . . A 26 PHE HD1 . 18966 1 305 . 1 1 26 26 PHE HD2 H 1 7.370 0.000 . 3 . . . A 26 PHE HD2 . 18966 1 306 . 1 1 26 26 PHE CA C 13 62.377 0.000 . 1 . . . A 26 PHE CA . 18966 1 307 . 1 1 26 26 PHE CB C 13 39.267 0.000 . 1 . . . A 26 PHE CB . 18966 1 308 . 1 1 26 26 PHE CD1 C 13 132.224 0.000 . 3 . . . A 26 PHE CD1 . 18966 1 309 . 1 1 26 26 PHE CD2 C 13 132.224 0.000 . 3 . . . A 26 PHE CD2 . 18966 1 310 . 1 1 26 26 PHE N N 15 123.731 0.000 . 1 . . . A 26 PHE N . 18966 1 311 . 1 1 27 27 TYR HA H 1 3.954 0.000 . 1 . . . A 27 TYR HA . 18966 1 312 . 1 1 27 27 TYR HB2 H 1 3.124 0.000 . 2 . . . A 27 TYR HB2 . 18966 1 313 . 1 1 27 27 TYR HB3 H 1 3.124 0.000 . 2 . . . A 27 TYR HB3 . 18966 1 314 . 1 1 27 27 TYR HD1 H 1 7.306 0.000 . 3 . . . A 27 TYR HD1 . 18966 1 315 . 1 1 27 27 TYR HD2 H 1 7.306 0.000 . 3 . . . A 27 TYR HD2 . 18966 1 316 . 1 1 27 27 TYR HE2 H 1 7.047 0.000 . 3 . . . A 27 TYR HE2 . 18966 1 317 . 1 1 27 27 TYR C C 13 179.286 0.000 . 1 . . . A 27 TYR C . 18966 1 318 . 1 1 27 27 TYR CA C 13 61.271 0.000 . 1 . . . A 27 TYR CA . 18966 1 319 . 1 1 27 27 TYR CB C 13 39.015 0.000 . 1 . . . A 27 TYR CB . 18966 1 320 . 1 1 27 27 TYR CD1 C 13 131.677 0.000 . 3 . . . A 27 TYR CD1 . 18966 1 321 . 1 1 27 27 TYR CD2 C 13 131.677 0.000 . 3 . . . A 27 TYR CD2 . 18966 1 322 . 1 1 27 27 TYR CE2 C 13 129.490 0.000 . 3 . . . A 27 TYR CE2 . 18966 1 323 . 1 1 28 28 LEU H H 1 8.235 0.000 . 1 . . . A 28 LEU H . 18966 1 324 . 1 1 28 28 LEU HA H 1 4.064 0.000 . 1 . . . A 28 LEU HA . 18966 1 325 . 1 1 28 28 LEU HB2 H 1 1.711 0.000 . 2 . . . A 28 LEU HB2 . 18966 1 326 . 1 1 28 28 LEU HB3 H 1 1.949 0.000 . 2 . . . A 28 LEU HB3 . 18966 1 327 . 1 1 28 28 LEU HG H 1 1.945 0.000 . 1 . . . A 28 LEU HG . 18966 1 328 . 1 1 28 28 LEU HD11 H 1 0.995 0.000 . 2 . . . A 28 LEU HD11 . 18966 1 329 . 1 1 28 28 LEU HD12 H 1 0.995 0.000 . 2 . . . A 28 LEU HD12 . 18966 1 330 . 1 1 28 28 LEU HD13 H 1 0.995 0.000 . 2 . . . A 28 LEU HD13 . 18966 1 331 . 1 1 28 28 LEU HD21 H 1 0.995 0.000 . 2 . . . A 28 LEU HD21 . 18966 1 332 . 1 1 28 28 LEU HD22 H 1 0.995 0.000 . 2 . . . A 28 LEU HD22 . 18966 1 333 . 1 1 28 28 LEU HD23 H 1 0.995 0.000 . 2 . . . A 28 LEU HD23 . 18966 1 334 . 1 1 28 28 LEU C C 13 178.805 0.000 . 1 . . . A 28 LEU C . 18966 1 335 . 1 1 28 28 LEU CA C 13 58.176 0.000 . 1 . . . A 28 LEU CA . 18966 1 336 . 1 1 28 28 LEU CB C 13 41.963 0.000 . 1 . . . A 28 LEU CB . 18966 1 337 . 1 1 28 28 LEU CG C 13 26.978 0.000 . 1 . . . A 28 LEU CG . 18966 1 338 . 1 1 28 28 LEU CD1 C 13 23.337 0.000 . 1 . . . A 28 LEU CD1 . 18966 1 339 . 1 1 28 28 LEU CD2 C 13 24.884 0.000 . 1 . . . A 28 LEU CD2 . 18966 1 340 . 1 1 28 28 LEU N N 15 121.044 0.000 . 1 . . . A 28 LEU N . 18966 1 341 . 1 1 29 29 GLN H H 1 7.452 0.000 . 1 . . . A 29 GLN H . 18966 1 342 . 1 1 29 29 GLN HA H 1 4.128 0.000 . 1 . . . A 29 GLN HA . 18966 1 343 . 1 1 29 29 GLN HB2 H 1 1.901 0.000 . 2 . . . A 29 GLN HB2 . 18966 1 344 . 1 1 29 29 GLN HB3 H 1 1.901 0.000 . 2 . . . A 29 GLN HB3 . 18966 1 345 . 1 1 29 29 GLN HG2 H 1 2.374 0.000 . 2 . . . A 29 GLN HG2 . 18966 1 346 . 1 1 29 29 GLN HG3 H 1 2.226 0.000 . 2 . . . A 29 GLN HG3 . 18966 1 347 . 1 1 29 29 GLN C C 13 177.023 0.000 . 1 . . . A 29 GLN C . 18966 1 348 . 1 1 29 29 GLN CA C 13 57.955 0.000 . 1 . . . A 29 GLN CA . 18966 1 349 . 1 1 29 29 GLN CB C 13 29.802 0.000 . 1 . . . A 29 GLN CB . 18966 1 350 . 1 1 29 29 GLN CG C 13 33.714 0.000 . 1 . . . A 29 GLN CG . 18966 1 351 . 1 1 29 29 GLN N N 15 114.816 0.000 . 1 . . . A 29 GLN N . 18966 1 352 . 1 1 30 30 ASN H H 1 8.086 0.000 . 1 . . . A 30 ASN H . 18966 1 353 . 1 1 30 30 ASN HA H 1 4.655 0.000 . 1 . . . A 30 ASN HA . 18966 1 354 . 1 1 30 30 ASN HB2 H 1 2.438 0.000 . 2 . . . A 30 ASN HB2 . 18966 1 355 . 1 1 30 30 ASN HB3 H 1 2.438 0.000 . 2 . . . A 30 ASN HB3 . 18966 1 356 . 1 1 30 30 ASN C C 13 175.721 0.000 . 1 . . . A 30 ASN C . 18966 1 357 . 1 1 30 30 ASN CA C 13 54.712 0.000 . 1 . . . A 30 ASN CA . 18966 1 358 . 1 1 30 30 ASN CB C 13 41.520 0.000 . 1 . . . A 30 ASN CB . 18966 1 359 . 1 1 30 30 ASN N N 15 113.864 0.000 . 1 . . . A 30 ASN N . 18966 1 360 . 1 1 31 31 GLY H H 1 8.966 0.000 . 1 . . . A 31 GLY H . 18966 1 361 . 1 1 31 31 GLY HA2 H 1 3.838 0.000 . 2 . . . A 31 GLY HA2 . 18966 1 362 . 1 1 31 31 GLY HA3 H 1 4.010 0.000 . 2 . . . A 31 GLY HA3 . 18966 1 363 . 1 1 31 31 GLY C C 13 173.178 0.000 . 1 . . . A 31 GLY C . 18966 1 364 . 1 1 31 31 GLY CA C 13 45.353 0.000 . 1 . . . A 31 GLY CA . 18966 1 365 . 1 1 31 31 GLY N N 15 110.427 0.000 . 1 . . . A 31 GLY N . 18966 1 366 . 1 1 32 32 ARG H H 1 7.667 0.000 . 1 . . . A 32 ARG H . 18966 1 367 . 1 1 32 32 ARG C C 13 176.943 0.000 . 1 . . . A 32 ARG C . 18966 1 368 . 1 1 32 32 ARG CA C 13 57.513 0.000 . 1 . . . A 32 ARG CA . 18966 1 369 . 1 1 32 32 ARG CB C 13 31.571 0.000 . 1 . . . A 32 ARG CB . 18966 1 370 . 1 1 32 32 ARG N N 15 125.148 0.000 . 1 . . . A 32 ARG N . 18966 1 371 . 1 1 38 38 THR HA H 1 4.222 0.000 . 1 . . . A 38 THR HA . 18966 1 372 . 1 1 38 38 THR HB H 1 4.408 0.000 . 1 . . . A 38 THR HB . 18966 1 373 . 1 1 38 38 THR HG21 H 1 1.077 0.000 . 1 . . . A 38 THR HG21 . 18966 1 374 . 1 1 38 38 THR HG22 H 1 1.077 0.000 . 1 . . . A 38 THR HG22 . 18966 1 375 . 1 1 38 38 THR HG23 H 1 1.077 0.000 . 1 . . . A 38 THR HG23 . 18966 1 376 . 1 1 38 38 THR C C 13 174.640 0.000 . 1 . . . A 38 THR C . 18966 1 377 . 1 1 38 38 THR CA C 13 60.829 0.000 . 1 . . . A 38 THR CA . 18966 1 378 . 1 1 38 38 THR CB C 13 70.557 0.000 . 1 . . . A 38 THR CB . 18966 1 379 . 1 1 38 38 THR CG2 C 13 21.607 0.000 . 1 . . . A 38 THR CG2 . 18966 1 380 . 1 1 39 39 LYS H H 1 7.331 0.000 . 1 . . . A 39 LYS H . 18966 1 381 . 1 1 39 39 LYS HA H 1 4.707 0.000 . 1 . . . A 39 LYS HA . 18966 1 382 . 1 1 39 39 LYS HB2 H 1 1.673 0.000 . 2 . . . A 39 LYS HB2 . 18966 1 383 . 1 1 39 39 LYS HB3 H 1 1.673 0.000 . 2 . . . A 39 LYS HB3 . 18966 1 384 . 1 1 39 39 LYS HG2 H 1 1.429 0.000 . 2 . . . A 39 LYS HG2 . 18966 1 385 . 1 1 39 39 LYS HG3 H 1 1.429 0.000 . 2 . . . A 39 LYS HG3 . 18966 1 386 . 1 1 39 39 LYS HD2 H 1 1.671 0.000 . 2 . . . A 39 LYS HD2 . 18966 1 387 . 1 1 39 39 LYS HD3 H 1 1.671 0.000 . 2 . . . A 39 LYS HD3 . 18966 1 388 . 1 1 39 39 LYS HE2 H 1 3.024 0.000 . 2 . . . A 39 LYS HE2 . 18966 1 389 . 1 1 39 39 LYS HE3 H 1 3.024 0.000 . 2 . . . A 39 LYS HE3 . 18966 1 390 . 1 1 39 39 LYS C C 13 175.441 0.000 . 1 . . . A 39 LYS C . 18966 1 391 . 1 1 39 39 LYS CA C 13 55.965 0.000 . 1 . . . A 39 LYS CA . 18966 1 392 . 1 1 39 39 LYS CB C 13 37.098 0.000 . 1 . . . A 39 LYS CB . 18966 1 393 . 1 1 39 39 LYS CG C 13 24.611 0.000 . 1 . . . A 39 LYS CG . 18966 1 394 . 1 1 39 39 LYS CD C 13 28.889 0.000 . 1 . . . A 39 LYS CD . 18966 1 395 . 1 1 39 39 LYS CE C 13 41.907 0.000 . 1 . . . A 39 LYS CE . 18966 1 396 . 1 1 39 39 LYS N N 15 124.707 0.000 . 1 . . . A 39 LYS N . 18966 1 397 . 1 1 40 40 TRP H H 1 8.704 0.000 . 1 . . . A 40 TRP H . 18966 1 398 . 1 1 40 40 TRP HA H 1 4.701 0.000 . 1 . . . A 40 TRP HA . 18966 1 399 . 1 1 40 40 TRP HB2 H 1 3.063 0.000 . 2 . . . A 40 TRP HB2 . 18966 1 400 . 1 1 40 40 TRP HB3 H 1 3.063 0.000 . 2 . . . A 40 TRP HB3 . 18966 1 401 . 1 1 40 40 TRP HD1 H 1 7.200 0.000 . 1 . . . A 40 TRP HD1 . 18966 1 402 . 1 1 40 40 TRP HE1 H 1 10.524 0.000 . 1 . . . A 40 TRP HE1 . 18966 1 403 . 1 1 40 40 TRP HZ2 H 1 7.149 0.000 . 1 . . . A 40 TRP HZ2 . 18966 1 404 . 1 1 40 40 TRP HZ3 H 1 7.168 0.000 . 1 . . . A 40 TRP HZ3 . 18966 1 405 . 1 1 40 40 TRP HH2 H 1 7.469 0.000 . 1 . . . A 40 TRP HH2 . 18966 1 406 . 1 1 40 40 TRP CA C 13 55.670 0.000 . 1 . . . A 40 TRP CA . 18966 1 407 . 1 1 40 40 TRP CB C 13 30.466 0.000 . 1 . . . A 40 TRP CB . 18966 1 408 . 1 1 40 40 TRP CD1 C 13 128.396 0.000 . 1 . . . A 40 TRP CD1 . 18966 1 409 . 1 1 40 40 TRP CZ2 C 13 113.634 0.000 . 1 . . . A 40 TRP CZ2 . 18966 1 410 . 1 1 40 40 TRP CH2 C 13 124.569 0.000 . 1 . . . A 40 TRP CH2 . 18966 1 411 . 1 1 40 40 TRP N N 15 126.269 0.000 . 1 . . . A 40 TRP N . 18966 1 412 . 1 1 40 40 TRP NE1 N 15 128.836 0.000 . 1 . . . A 40 TRP NE1 . 18966 1 413 . 1 1 41 41 PRO HA H 1 4.640 0.000 . 1 . . . A 41 PRO HA . 18966 1 414 . 1 1 41 41 PRO HB2 H 1 1.735 0.000 . 2 . . . A 41 PRO HB2 . 18966 1 415 . 1 1 41 41 PRO HB3 H 1 1.735 0.000 . 2 . . . A 41 PRO HB3 . 18966 1 416 . 1 1 41 41 PRO C C 13 175.501 0.000 . 1 . . . A 41 PRO C . 18966 1 417 . 1 1 41 41 PRO CA C 13 62.745 0.000 . 1 . . . A 41 PRO CA . 18966 1 418 . 1 1 41 41 PRO CB C 13 32.308 0.000 . 1 . . . A 41 PRO CB . 18966 1 419 . 1 1 42 42 SER H H 1 8.193 0.000 . 1 . . . A 42 SER H . 18966 1 420 . 1 1 42 42 SER HA H 1 4.356 0.000 . 1 . . . A 42 SER HA . 18966 1 421 . 1 1 42 42 SER HB2 H 1 3.773 0.000 . 2 . . . A 42 SER HB2 . 18966 1 422 . 1 1 42 42 SER HB3 H 1 3.773 0.000 . 2 . . . A 42 SER HB3 . 18966 1 423 . 1 1 42 42 SER C C 13 174.079 0.000 . 1 . . . A 42 SER C . 18966 1 424 . 1 1 42 42 SER CA C 13 58.471 0.000 . 1 . . . A 42 SER CA . 18966 1 425 . 1 1 42 42 SER CB C 13 63.851 0.000 . 1 . . . A 42 SER CB . 18966 1 426 . 1 1 42 42 SER N N 15 114.356 0.000 . 1 . . . A 42 SER N . 18966 1 427 . 1 1 43 43 LEU H H 1 8.263 0.000 . 1 . . . A 43 LEU H . 18966 1 428 . 1 1 43 43 LEU HA H 1 3.936 0.000 . 1 . . . A 43 LEU HA . 18966 1 429 . 1 1 43 43 LEU HB2 H 1 1.689 0.000 . 2 . . . A 43 LEU HB2 . 18966 1 430 . 1 1 43 43 LEU HB3 H 1 1.689 0.000 . 2 . . . A 43 LEU HB3 . 18966 1 431 . 1 1 43 43 LEU HG H 1 1.933 0.000 . 1 . . . A 43 LEU HG . 18966 1 432 . 1 1 43 43 LEU HD11 H 1 0.664 0.000 . 2 . . . A 43 LEU HD11 . 18966 1 433 . 1 1 43 43 LEU HD12 H 1 0.664 0.000 . 2 . . . A 43 LEU HD12 . 18966 1 434 . 1 1 43 43 LEU HD13 H 1 0.664 0.000 . 2 . . . A 43 LEU HD13 . 18966 1 435 . 1 1 43 43 LEU HD21 H 1 0.664 0.000 . 2 . . . A 43 LEU HD21 . 18966 1 436 . 1 1 43 43 LEU HD22 H 1 0.664 0.000 . 2 . . . A 43 LEU HD22 . 18966 1 437 . 1 1 43 43 LEU HD23 H 1 0.664 0.000 . 2 . . . A 43 LEU HD23 . 18966 1 438 . 1 1 43 43 LEU C C 13 176.442 0.000 . 1 . . . A 43 LEU C . 18966 1 439 . 1 1 43 43 LEU CA C 13 52.354 0.000 . 1 . . . A 43 LEU CA . 18966 1 440 . 1 1 43 43 LEU CB C 13 42.257 0.000 . 1 . . . A 43 LEU CB . 18966 1 441 . 1 1 43 43 LEU CG C 13 26.887 0.000 . 1 . . . A 43 LEU CG . 18966 1 442 . 1 1 43 43 LEU CD2 C 13 23.519 0.000 . 1 . . . A 43 LEU CD2 . 18966 1 443 . 1 1 43 43 LEU N N 15 124.932 0.000 . 1 . . . A 43 LEU N . 18966 1 444 . 1 1 44 44 PRO HA H 1 4.173 0.000 . 1 . . . A 44 PRO HA . 18966 1 445 . 1 1 44 44 PRO HB2 H 1 1.867 0.000 . 2 . . . A 44 PRO HB2 . 18966 1 446 . 1 1 44 44 PRO HB3 H 1 2.114 0.000 . 2 . . . A 44 PRO HB3 . 18966 1 447 . 1 1 44 44 PRO HG2 H 1 1.754 0.000 . 2 . . . A 44 PRO HG2 . 18966 1 448 . 1 1 44 44 PRO HG3 H 1 2.015 0.000 . 2 . . . A 44 PRO HG3 . 18966 1 449 . 1 1 44 44 PRO HD2 H 1 3.692 0.000 . 2 . . . A 44 PRO HD2 . 18966 1 450 . 1 1 44 44 PRO HD3 H 1 3.382 0.000 . 2 . . . A 44 PRO HD3 . 18966 1 451 . 1 1 44 44 PRO C C 13 177.687 0.000 . 1 . . . A 44 PRO C . 18966 1 452 . 1 1 44 44 PRO CA C 13 64.219 0.000 . 1 . . . A 44 PRO CA . 18966 1 453 . 1 1 44 44 PRO CB C 13 31.792 0.000 . 1 . . . A 44 PRO CB . 18966 1 454 . 1 1 44 44 PRO CG C 13 26.887 0.000 . 1 . . . A 44 PRO CG . 18966 1 455 . 1 1 44 44 PRO CD C 13 50.464 0.000 . 1 . . . A 44 PRO CD . 18966 1 456 . 1 1 45 45 ILE H H 1 7.633 0.000 . 1 . . . A 45 ILE H . 18966 1 457 . 1 1 45 45 ILE HA H 1 4.310 0.000 . 1 . . . A 45 ILE HA . 18966 1 458 . 1 1 45 45 ILE HB H 1 1.787 0.000 . 1 . . . A 45 ILE HB . 18966 1 459 . 1 1 45 45 ILE HG12 H 1 1.364 0.000 . 1 . . . A 45 ILE HG12 . 18966 1 460 . 1 1 45 45 ILE HG13 H 1 1.054 0.000 . 1 . . . A 45 ILE HG13 . 18966 1 461 . 1 1 45 45 ILE HG21 H 1 0.843 0.000 . 1 . . . A 45 ILE HG21 . 18966 1 462 . 1 1 45 45 ILE HG22 H 1 0.843 0.000 . 1 . . . A 45 ILE HG22 . 18966 1 463 . 1 1 45 45 ILE HG23 H 1 0.843 0.000 . 1 . . . A 45 ILE HG23 . 18966 1 464 . 1 1 45 45 ILE HD11 H 1 0.843 0.000 . 1 . . . A 45 ILE HD11 . 18966 1 465 . 1 1 45 45 ILE HD12 H 1 0.843 0.000 . 1 . . . A 45 ILE HD12 . 18966 1 466 . 1 1 45 45 ILE HD13 H 1 0.843 0.000 . 1 . . . A 45 ILE HD13 . 18966 1 467 . 1 1 45 45 ILE C C 13 175.281 0.000 . 1 . . . A 45 ILE C . 18966 1 468 . 1 1 45 45 ILE CA C 13 60.903 0.000 . 1 . . . A 45 ILE CA . 18966 1 469 . 1 1 45 45 ILE CB C 13 38.646 0.000 . 1 . . . A 45 ILE CB . 18966 1 470 . 1 1 45 45 ILE CG1 C 13 27.160 0.000 . 1 . . . A 45 ILE CG1 . 18966 1 471 . 1 1 45 45 ILE CG2 C 13 17.966 0.000 . 1 . . . A 45 ILE CG2 . 18966 1 472 . 1 1 45 45 ILE CD1 C 13 13.050 0.000 . 1 . . . A 45 ILE CD1 . 18966 1 473 . 1 1 45 45 ILE N N 15 118.388 0.000 . 1 . . . A 45 ILE N . 18966 1 474 . 1 1 46 46 LYS H H 1 8.568 0.000 . 1 . . . A 46 LYS H . 18966 1 475 . 1 1 46 46 LYS HA H 1 4.530 0.000 . 1 . . . A 46 LYS HA . 18966 1 476 . 1 1 46 46 LYS HB2 H 1 1.702 0.000 . 2 . . . A 46 LYS HB2 . 18966 1 477 . 1 1 46 46 LYS HB3 H 1 2.082 0.000 . 2 . . . A 46 LYS HB3 . 18966 1 478 . 1 1 46 46 LYS HG2 H 1 0.757 0.000 . 2 . . . A 46 LYS HG2 . 18966 1 479 . 1 1 46 46 LYS HD3 H 1 1.397 0.000 . 2 . . . A 46 LYS HD3 . 18966 1 480 . 1 1 46 46 LYS HE2 H 1 3.057 0.000 . 2 . . . A 46 LYS HE2 . 18966 1 481 . 1 1 46 46 LYS HE3 H 1 3.057 0.000 . 2 . . . A 46 LYS HE3 . 18966 1 482 . 1 1 46 46 LYS C C 13 176.703 0.000 . 1 . . . A 46 LYS C . 18966 1 483 . 1 1 46 46 LYS CA C 13 57.144 0.000 . 1 . . . A 46 LYS CA . 18966 1 484 . 1 1 46 46 LYS CB C 13 34.077 0.000 . 1 . . . A 46 LYS CB . 18966 1 485 . 1 1 46 46 LYS CG C 13 25.521 0.000 . 1 . . . A 46 LYS CG . 18966 1 486 . 1 1 46 46 LYS CD C 13 29.071 0.000 . 1 . . . A 46 LYS CD . 18966 1 487 . 1 1 46 46 LYS CE C 13 42.271 0.000 . 1 . . . A 46 LYS CE . 18966 1 488 . 1 1 46 46 LYS N N 15 124.312 0.000 . 1 . . . A 46 LYS N . 18966 1 489 . 1 1 47 47 GLU H H 1 7.553 0.000 . 1 . . . A 47 GLU H . 18966 1 490 . 1 1 47 47 GLU HA H 1 5.253 0.000 . 1 . . . A 47 GLU HA . 18966 1 491 . 1 1 47 47 GLU HB2 H 1 1.977 0.000 . 2 . . . A 47 GLU HB2 . 18966 1 492 . 1 1 47 47 GLU HB3 H 1 1.977 0.000 . 2 . . . A 47 GLU HB3 . 18966 1 493 . 1 1 47 47 GLU HG2 H 1 2.145 0.000 . 2 . . . A 47 GLU HG2 . 18966 1 494 . 1 1 47 47 GLU HG3 H 1 2.074 0.000 . 2 . . . A 47 GLU HG3 . 18966 1 495 . 1 1 47 47 GLU C C 13 174.300 0.000 . 1 . . . A 47 GLU C . 18966 1 496 . 1 1 47 47 GLU CA C 13 55.523 0.000 . 1 . . . A 47 GLU CA . 18966 1 497 . 1 1 47 47 GLU CB C 13 33.193 0.000 . 1 . . . A 47 GLU CB . 18966 1 498 . 1 1 47 47 GLU CG C 13 36.172 0.000 . 1 . . . A 47 GLU CG . 18966 1 499 . 1 1 47 47 GLU N N 15 119.280 0.000 . 1 . . . A 47 GLU N . 18966 1 500 . 1 1 48 48 ALA H H 1 8.994 0.000 . 1 . . . A 48 ALA H . 18966 1 501 . 1 1 48 48 ALA HA H 1 4.489 0.000 . 1 . . . A 48 ALA HA . 18966 1 502 . 1 1 48 48 ALA HB1 H 1 1.272 0.000 . 1 . . . A 48 ALA HB1 . 18966 1 503 . 1 1 48 48 ALA HB2 H 1 1.272 0.000 . 1 . . . A 48 ALA HB2 . 18966 1 504 . 1 1 48 48 ALA HB3 H 1 1.272 0.000 . 1 . . . A 48 ALA HB3 . 18966 1 505 . 1 1 48 48 ALA C C 13 176.342 0.000 . 1 . . . A 48 ALA C . 18966 1 506 . 1 1 48 48 ALA CA C 13 53.165 0.000 . 1 . . . A 48 ALA CA . 18966 1 507 . 1 1 48 48 ALA CB C 13 22.212 0.000 . 1 . . . A 48 ALA CB . 18966 1 508 . 1 1 48 48 ALA N N 15 124.222 0.000 . 1 . . . A 48 ALA N . 18966 1 509 . 1 1 49 49 GLU H H 1 9.093 0.000 . 1 . . . A 49 GLU H . 18966 1 510 . 1 1 49 49 GLU HA H 1 3.954 0.000 . 1 . . . A 49 GLU HA . 18966 1 511 . 1 1 49 49 GLU HB2 H 1 1.949 0.000 . 2 . . . A 49 GLU HB2 . 18966 1 512 . 1 1 49 49 GLU HB3 H 1 2.370 0.000 . 2 . . . A 49 GLU HB3 . 18966 1 513 . 1 1 49 49 GLU HG2 H 1 2.145 0.000 . 2 . . . A 49 GLU HG2 . 18966 1 514 . 1 1 49 49 GLU HG3 H 1 2.145 0.000 . 2 . . . A 49 GLU HG3 . 18966 1 515 . 1 1 49 49 GLU C C 13 176.242 0.000 . 1 . . . A 49 GLU C . 18966 1 516 . 1 1 49 49 GLU CA C 13 56.333 0.000 . 1 . . . A 49 GLU CA . 18966 1 517 . 1 1 49 49 GLU CB C 13 27.370 0.000 . 1 . . . A 49 GLU CB . 18966 1 518 . 1 1 49 49 GLU CG C 13 35.353 0.000 . 1 . . . A 49 GLU CG . 18966 1 519 . 1 1 49 49 GLU N N 15 117.515 0.000 . 1 . . . A 49 GLU N . 18966 1 520 . 1 1 50 50 GLY H H 1 8.925 0.000 . 1 . . . A 50 GLY H . 18966 1 521 . 1 1 50 50 GLY HA2 H 1 3.670 0.000 . 2 . . . A 50 GLY HA2 . 18966 1 522 . 1 1 50 50 GLY HA3 H 1 4.229 0.000 . 2 . . . A 50 GLY HA3 . 18966 1 523 . 1 1 50 50 GLY C C 13 174.480 0.000 . 1 . . . A 50 GLY C . 18966 1 524 . 1 1 50 50 GLY CA C 13 45.868 0.000 . 1 . . . A 50 GLY CA . 18966 1 525 . 1 1 50 50 GLY N N 15 104.451 0.000 . 1 . . . A 50 GLY N . 18966 1 526 . 1 1 51 51 PHE H H 1 8.683 0.000 . 1 . . . A 51 PHE H . 18966 1 527 . 1 1 51 51 PHE HA H 1 5.253 0.000 . 1 . . . A 51 PHE HA . 18966 1 528 . 1 1 51 51 PHE HB2 H 1 2.585 0.000 . 2 . . . A 51 PHE HB2 . 18966 1 529 . 1 1 51 51 PHE HB3 H 1 3.350 0.000 . 2 . . . A 51 PHE HB3 . 18966 1 530 . 1 1 51 51 PHE HD1 H 1 7.045 0.000 . 3 . . . A 51 PHE HD1 . 18966 1 531 . 1 1 51 51 PHE HD2 H 1 7.045 0.000 . 3 . . . A 51 PHE HD2 . 18966 1 532 . 1 1 51 51 PHE HE1 H 1 7.163 0.000 . 3 . . . A 51 PHE HE1 . 18966 1 533 . 1 1 51 51 PHE HE2 H 1 7.163 0.000 . 3 . . . A 51 PHE HE2 . 18966 1 534 . 1 1 51 51 PHE HZ H 1 6.892 0.000 . 1 . . . A 51 PHE HZ . 18966 1 535 . 1 1 51 51 PHE C C 13 175.501 0.000 . 1 . . . A 51 PHE C . 18966 1 536 . 1 1 51 51 PHE CA C 13 56.702 0.000 . 1 . . . A 51 PHE CA . 18966 1 537 . 1 1 51 51 PHE CB C 13 40.267 0.000 . 1 . . . A 51 PHE CB . 18966 1 538 . 1 1 51 51 PHE CD1 C 13 132.224 0.000 . 3 . . . A 51 PHE CD1 . 18966 1 539 . 1 1 51 51 PHE CD2 C 13 132.224 0.000 . 3 . . . A 51 PHE CD2 . 18966 1 540 . 1 1 51 51 PHE CE1 C 13 131.130 0.000 . 3 . . . A 51 PHE CE1 . 18966 1 541 . 1 1 51 51 PHE CE2 C 13 131.130 0.000 . 3 . . . A 51 PHE CE2 . 18966 1 542 . 1 1 51 51 PHE CZ C 13 131.677 0.000 . 1 . . . A 51 PHE CZ . 18966 1 543 . 1 1 51 51 PHE N N 15 122.753 0.000 . 1 . . . A 51 PHE N . 18966 1 544 . 1 1 52 52 CYS H H 1 9.803 0.000 . 1 . . . A 52 CYS H . 18966 1 545 . 1 1 52 52 CYS HA H 1 5.427 0.000 . 1 . . . A 52 CYS HA . 18966 1 546 . 1 1 52 52 CYS HB2 H 1 3.268 0.000 . 2 . . . A 52 CYS HB2 . 18966 1 547 . 1 1 52 52 CYS HB3 H 1 3.757 0.000 . 2 . . . A 52 CYS HB3 . 18966 1 548 . 1 1 52 52 CYS C C 13 173.138 0.000 . 1 . . . A 52 CYS C . 18966 1 549 . 1 1 52 52 CYS CA C 13 56.039 0.000 . 1 . . . A 52 CYS CA . 18966 1 550 . 1 1 52 52 CYS CB C 13 44.984 0.000 . 1 . . . A 52 CYS CB . 18966 1 551 . 1 1 52 52 CYS N N 15 118.389 0.000 . 1 . . . A 52 CYS N . 18966 1 552 . 1 1 53 53 ILE H H 1 8.048 0.000 . 1 . . . A 53 ILE H . 18966 1 553 . 1 1 53 53 ILE HA H 1 5.213 0.000 . 1 . . . A 53 ILE HA . 18966 1 554 . 1 1 53 53 ILE HB H 1 1.479 0.000 . 1 . . . A 53 ILE HB . 18966 1 555 . 1 1 53 53 ILE HG12 H 1 1.461 0.000 . 1 . . . A 53 ILE HG12 . 18966 1 556 . 1 1 53 53 ILE HG13 H 1 1.461 0.000 . 1 . . . A 53 ILE HG13 . 18966 1 557 . 1 1 53 53 ILE HG21 H 1 0.631 0.000 . 1 . . . A 53 ILE HG21 . 18966 1 558 . 1 1 53 53 ILE HG22 H 1 0.631 0.000 . 1 . . . A 53 ILE HG22 . 18966 1 559 . 1 1 53 53 ILE HG23 H 1 0.631 0.000 . 1 . . . A 53 ILE HG23 . 18966 1 560 . 1 1 53 53 ILE HD11 H 1 0.566 0.000 . 1 . . . A 53 ILE HD11 . 18966 1 561 . 1 1 53 53 ILE HD12 H 1 0.566 0.000 . 1 . . . A 53 ILE HD12 . 18966 1 562 . 1 1 53 53 ILE HD13 H 1 0.566 0.000 . 1 . . . A 53 ILE HD13 . 18966 1 563 . 1 1 53 53 ILE C C 13 174.760 0.000 . 1 . . . A 53 ILE C . 18966 1 564 . 1 1 53 53 ILE CA C 13 61.198 0.000 . 1 . . . A 53 ILE CA . 18966 1 565 . 1 1 53 53 ILE CB C 13 40.783 0.000 . 1 . . . A 53 ILE CB . 18966 1 566 . 1 1 53 53 ILE CG1 C 13 27.433 0.000 . 1 . . . A 53 ILE CG1 . 18966 1 567 . 1 1 53 53 ILE CG2 C 13 18.330 0.000 . 1 . . . A 53 ILE CG2 . 18966 1 568 . 1 1 53 53 ILE CD1 C 13 14.325 0.000 . 1 . . . A 53 ILE CD1 . 18966 1 569 . 1 1 53 53 ILE N N 15 120.814 0.000 . 1 . . . A 53 ILE N . 18966 1 570 . 1 1 54 54 ARG H H 1 8.866 0.000 . 1 . . . A 54 ARG H . 18966 1 571 . 1 1 54 54 ARG HA H 1 4.613 0.000 . 1 . . . A 54 ARG HA . 18966 1 572 . 1 1 54 54 ARG HB2 H 1 1.745 0.000 . 2 . . . A 54 ARG HB2 . 18966 1 573 . 1 1 54 54 ARG HB3 H 1 1.745 0.000 . 2 . . . A 54 ARG HB3 . 18966 1 574 . 1 1 54 54 ARG HG2 H 1 1.479 0.000 . 2 . . . A 54 ARG HG2 . 18966 1 575 . 1 1 54 54 ARG HG3 H 1 1.479 0.000 . 2 . . . A 54 ARG HG3 . 18966 1 576 . 1 1 54 54 ARG HD2 H 1 3.008 0.000 . 2 . . . A 54 ARG HD2 . 18966 1 577 . 1 1 54 54 ARG HD3 H 1 3.008 0.000 . 2 . . . A 54 ARG HD3 . 18966 1 578 . 1 1 54 54 ARG C C 13 175.081 0.000 . 1 . . . A 54 ARG C . 18966 1 579 . 1 1 54 54 ARG CA C 13 53.459 0.000 . 1 . . . A 54 ARG CA . 18966 1 580 . 1 1 54 54 ARG CB C 13 35.919 0.000 . 1 . . . A 54 ARG CB . 18966 1 581 . 1 1 54 54 ARG CG C 13 24.793 0.000 . 1 . . . A 54 ARG CG . 18966 1 582 . 1 1 54 54 ARG CD C 13 41.907 0.000 . 1 . . . A 54 ARG CD . 18966 1 583 . 1 1 54 54 ARG N N 15 122.013 0.000 . 1 . . . A 54 ARG N . 18966 1 584 . 1 1 55 55 LEU H H 1 8.678 0.000 . 1 . . . A 55 LEU H . 18966 1 585 . 1 1 55 55 LEU HA H 1 4.573 0.000 . 1 . . . A 55 LEU HA . 18966 1 586 . 1 1 55 55 LEU HB2 H 1 1.799 0.000 . 2 . . . A 55 LEU HB2 . 18966 1 587 . 1 1 55 55 LEU HB3 H 1 1.673 0.000 . 2 . . . A 55 LEU HB3 . 18966 1 588 . 1 1 55 55 LEU HD11 H 1 0.761 0.000 . 2 . . . A 55 LEU HD11 . 18966 1 589 . 1 1 55 55 LEU HD12 H 1 0.761 0.000 . 2 . . . A 55 LEU HD12 . 18966 1 590 . 1 1 55 55 LEU HD13 H 1 0.761 0.000 . 2 . . . A 55 LEU HD13 . 18966 1 591 . 1 1 55 55 LEU HD21 H 1 0.517 0.000 . 2 . . . A 55 LEU HD21 . 18966 1 592 . 1 1 55 55 LEU HD22 H 1 0.517 0.000 . 2 . . . A 55 LEU HD22 . 18966 1 593 . 1 1 55 55 LEU HD23 H 1 0.517 0.000 . 2 . . . A 55 LEU HD23 . 18966 1 594 . 1 1 55 55 LEU C C 13 175.661 0.000 . 1 . . . A 55 LEU C . 18966 1 595 . 1 1 55 55 LEU CA C 13 55.965 0.000 . 1 . . . A 55 LEU CA . 18966 1 596 . 1 1 55 55 LEU CB C 13 40.341 0.000 . 1 . . . A 55 LEU CB . 18966 1 597 . 1 1 55 55 LEU CG C 13 27.251 0.000 . 1 . . . A 55 LEU CG . 18966 1 598 . 1 1 55 55 LEU CD1 C 13 24.520 0.000 . 1 . . . A 55 LEU CD1 . 18966 1 599 . 1 1 55 55 LEU CD2 C 13 24.520 0.000 . 1 . . . A 55 LEU CD2 . 18966 1 600 . 1 1 55 55 LEU N N 15 121.824 0.000 . 1 . . . A 55 LEU N . 18966 1 601 . 1 1 56 56 ASN H H 1 9.061 0.000 . 1 . . . A 56 ASN H . 18966 1 602 . 1 1 56 56 ASN HA H 1 4.444 0.000 . 1 . . . A 56 ASN HA . 18966 1 603 . 1 1 56 56 ASN CA C 13 52.943 0.000 . 1 . . . A 56 ASN CA . 18966 1 604 . 1 1 56 56 ASN CB C 13 43.584 0.000 . 1 . . . A 56 ASN CB . 18966 1 605 . 1 1 56 56 ASN N N 15 119.116 0.000 . 1 . . . A 56 ASN N . 18966 1 606 . 1 1 59 59 ALA HA H 1 3.210 0.000 . 1 . . . A 59 ALA HA . 18966 1 607 . 1 1 59 59 ALA HB1 H 1 -0.052 0.000 . 1 . . . A 59 ALA HB1 . 18966 1 608 . 1 1 59 59 ALA HB2 H 1 -0.052 0.000 . 1 . . . A 59 ALA HB2 . 18966 1 609 . 1 1 59 59 ALA HB3 H 1 -0.052 0.000 . 1 . . . A 59 ALA HB3 . 18966 1 610 . 1 1 59 59 ALA CA C 13 55.480 0.000 . 1 . . . A 59 ALA CA . 18966 1 611 . 1 1 59 59 ALA CB C 13 14.800 0.000 . 1 . . . A 59 ALA CB . 18966 1 612 . 1 1 61 61 GLY HA2 H 1 3.838 0.000 . 2 . . . A 61 GLY HA2 . 18966 1 613 . 1 1 61 61 GLY HA3 H 1 4.029 0.000 . 2 . . . A 61 GLY HA3 . 18966 1 614 . 1 1 61 61 GLY C C 13 173.326 0.000 . 1 . . . A 61 GLY C . 18966 1 615 . 1 1 61 61 GLY CA C 13 45.131 0.000 . 1 . . . A 61 GLY CA . 18966 1 616 . 1 1 62 62 ALA H H 1 7.348 0.000 . 1 . . . A 62 ALA H . 18966 1 617 . 1 1 62 62 ALA HA H 1 4.646 0.000 . 1 . . . A 62 ALA HA . 18966 1 618 . 1 1 62 62 ALA HB1 H 1 1.653 0.000 . 1 . . . A 62 ALA HB1 . 18966 1 619 . 1 1 62 62 ALA HB2 H 1 1.653 0.000 . 1 . . . A 62 ALA HB2 . 18966 1 620 . 1 1 62 62 ALA HB3 H 1 1.653 0.000 . 1 . . . A 62 ALA HB3 . 18966 1 621 . 1 1 62 62 ALA C C 13 178.685 0.000 . 1 . . . A 62 ALA C . 18966 1 622 . 1 1 62 62 ALA CA C 13 51.322 0.000 . 1 . . . A 62 ALA CA . 18966 1 623 . 1 1 62 62 ALA CB C 13 21.106 0.000 . 1 . . . A 62 ALA CB . 18966 1 624 . 1 1 62 62 ALA N N 15 123.542 0.000 . 1 . . . A 62 ALA N . 18966 1 625 . 1 1 65 65 SER HA H 1 4.560 0.000 . 1 . . . A 65 SER HA . 18966 1 626 . 1 1 65 65 SER HB2 H 1 4.065 0.000 . 2 . . . A 65 SER HB2 . 18966 1 627 . 1 1 65 65 SER HB3 H 1 3.862 0.000 . 2 . . . A 65 SER HB3 . 18966 1 628 . 1 1 65 65 SER C C 13 173.298 0.000 . 1 . . . A 65 SER C . 18966 1 629 . 1 1 65 65 SER CA C 13 58.989 0.000 . 1 . . . A 65 SER CA . 18966 1 630 . 1 1 65 65 SER CB C 13 63.709 0.000 . 1 . . . A 65 SER CB . 18966 1 631 . 1 1 66 66 LYS H H 1 7.639 0.000 . 1 . . . A 66 LYS H . 18966 1 632 . 1 1 66 66 LYS HA H 1 4.664 0.000 . 1 . . . A 66 LYS HA . 18966 1 633 . 1 1 66 66 LYS HB2 H 1 1.717 0.000 . 2 . . . A 66 LYS HB2 . 18966 1 634 . 1 1 66 66 LYS HB3 H 1 1.919 0.000 . 2 . . . A 66 LYS HB3 . 18966 1 635 . 1 1 66 66 LYS HG2 H 1 1.388 0.000 . 2 . . . A 66 LYS HG2 . 18966 1 636 . 1 1 66 66 LYS HG3 H 1 1.388 0.000 . 2 . . . A 66 LYS HG3 . 18966 1 637 . 1 1 66 66 LYS HD2 H 1 1.717 0.000 . 2 . . . A 66 LYS HD2 . 18966 1 638 . 1 1 66 66 LYS HD3 H 1 1.717 0.000 . 2 . . . A 66 LYS HD3 . 18966 1 639 . 1 1 66 66 LYS HE2 H 1 3.020 0.000 . 2 . . . A 66 LYS HE2 . 18966 1 640 . 1 1 66 66 LYS HE3 H 1 3.020 0.000 . 2 . . . A 66 LYS HE3 . 18966 1 641 . 1 1 66 66 LYS C C 13 174.900 0.000 . 1 . . . A 66 LYS C . 18966 1 642 . 1 1 66 66 LYS CA C 13 55.449 0.000 . 1 . . . A 66 LYS CA . 18966 1 643 . 1 1 66 66 LYS CB C 13 37.025 0.000 . 1 . . . A 66 LYS CB . 18966 1 644 . 1 1 66 66 LYS CG C 13 24.702 0.000 . 1 . . . A 66 LYS CG . 18966 1 645 . 1 1 66 66 LYS CD C 13 28.980 0.000 . 1 . . . A 66 LYS CD . 18966 1 646 . 1 1 66 66 LYS CE C 13 41.907 0.000 . 1 . . . A 66 LYS CE . 18966 1 647 . 1 1 66 66 LYS N N 15 120.120 0.000 . 1 . . . A 66 LYS N . 18966 1 648 . 1 1 67 67 PHE H H 1 8.031 0.000 . 1 . . . A 67 PHE H . 18966 1 649 . 1 1 67 67 PHE HA H 1 4.636 0.000 . 1 . . . A 67 PHE HA . 18966 1 650 . 1 1 67 67 PHE HB2 H 1 2.617 0.000 . 2 . . . A 67 PHE HB2 . 18966 1 651 . 1 1 67 67 PHE HB3 H 1 2.731 0.000 . 2 . . . A 67 PHE HB3 . 18966 1 652 . 1 1 67 67 PHE HD1 H 1 7.017 0.000 . 3 . . . A 67 PHE HD1 . 18966 1 653 . 1 1 67 67 PHE HD2 H 1 7.017 0.000 . 3 . . . A 67 PHE HD2 . 18966 1 654 . 1 1 67 67 PHE HE1 H 1 7.167 0.000 . 3 . . . A 67 PHE HE1 . 18966 1 655 . 1 1 67 67 PHE HE2 H 1 7.167 0.000 . 3 . . . A 67 PHE HE2 . 18966 1 656 . 1 1 67 67 PHE CA C 13 58.471 0.000 . 1 . . . A 67 PHE CA . 18966 1 657 . 1 1 67 67 PHE CB C 13 41.078 0.000 . 1 . . . A 67 PHE CB . 18966 1 658 . 1 1 67 67 PHE CD1 C 13 131.677 0.000 . 3 . . . A 67 PHE CD1 . 18966 1 659 . 1 1 67 67 PHE CD2 C 13 131.677 0.000 . 3 . . . A 67 PHE CD2 . 18966 1 660 . 1 1 67 67 PHE CE1 C 13 131.130 0.000 . 3 . . . A 67 PHE CE1 . 18966 1 661 . 1 1 67 67 PHE N N 15 113.254 0.000 . 1 . . . A 67 PHE N . 18966 1 662 . 1 1 68 68 MET HA H 1 5.170 0.000 . 1 . . . A 68 MET HA . 18966 1 663 . 1 1 68 68 MET HB2 H 1 2.149 0.000 . 2 . . . A 68 MET HB2 . 18966 1 664 . 1 1 68 68 MET HB3 H 1 2.089 0.000 . 2 . . . A 68 MET HB3 . 18966 1 665 . 1 1 68 68 MET HG2 H 1 1.964 0.000 . 2 . . . A 68 MET HG2 . 18966 1 666 . 1 1 68 68 MET HG3 H 1 1.964 0.000 . 2 . . . A 68 MET HG3 . 18966 1 667 . 1 1 68 68 MET HE1 H 1 1.820 0.000 . 1 . . . A 68 MET HE1 . 18966 1 668 . 1 1 68 68 MET HE2 H 1 1.820 0.000 . 1 . . . A 68 MET HE2 . 18966 1 669 . 1 1 68 68 MET HE3 H 1 1.820 0.000 . 1 . . . A 68 MET HE3 . 18966 1 670 . 1 1 68 68 MET C C 13 175.621 0.000 . 1 . . . A 68 MET C . 18966 1 671 . 1 1 68 68 MET CA C 13 54.196 0.000 . 1 . . . A 68 MET CA . 18966 1 672 . 1 1 68 68 MET CB C 13 35.256 0.000 . 1 . . . A 68 MET CB . 18966 1 673 . 1 1 68 68 MET CG C 13 31.984 0.000 . 1 . . . A 68 MET CG . 18966 1 674 . 1 1 68 68 MET CE C 13 16.667 0.000 . 1 . . . A 68 MET CE . 18966 1 675 . 1 1 69 69 LEU H H 1 9.571 0.000 . 1 . . . A 69 LEU H . 18966 1 676 . 1 1 69 69 LEU HA H 1 4.538 0.000 . 1 . . . A 69 LEU HA . 18966 1 677 . 1 1 69 69 LEU C C 13 176.743 0.000 . 1 . . . A 69 LEU C . 18966 1 678 . 1 1 69 69 LEU CA C 13 54.712 0.000 . 1 . . . A 69 LEU CA . 18966 1 679 . 1 1 69 69 LEU CB C 13 46.163 0.000 . 1 . . . A 69 LEU CB . 18966 1 680 . 1 1 69 69 LEU N N 15 128.464 0.000 . 1 . . . A 69 LEU N . 18966 1 681 . 1 1 70 70 LYS H H 1 9.037 0.000 . 1 . . . A 70 LYS H . 18966 1 682 . 1 1 70 70 LYS HA H 1 5.173 0.000 . 1 . . . A 70 LYS HA . 18966 1 683 . 1 1 70 70 LYS C C 13 171.636 0.000 . 1 . . . A 70 LYS C . 18966 1 684 . 1 1 70 70 LYS CA C 13 55.965 0.000 . 1 . . . A 70 LYS CA . 18966 1 685 . 1 1 70 70 LYS CB C 13 38.867 0.000 . 1 . . . A 70 LYS CB . 18966 1 686 . 1 1 70 70 LYS N N 15 122.100 0.000 . 1 . . . A 70 LYS N . 18966 1 687 . 1 1 71 71 ALA H H 1 9.636 0.000 . 1 . . . A 71 ALA H . 18966 1 688 . 1 1 71 71 ALA HA H 1 5.996 0.000 . 1 . . . A 71 ALA HA . 18966 1 689 . 1 1 71 71 ALA HB1 H 1 1.253 0.000 . 1 . . . A 71 ALA HB1 . 18966 1 690 . 1 1 71 71 ALA HB2 H 1 1.253 0.000 . 1 . . . A 71 ALA HB2 . 18966 1 691 . 1 1 71 71 ALA HB3 H 1 1.253 0.000 . 1 . . . A 71 ALA HB3 . 18966 1 692 . 1 1 71 71 ALA C C 13 175.481 0.000 . 1 . . . A 71 ALA C . 18966 1 693 . 1 1 71 71 ALA CA C 13 49.332 0.000 . 1 . . . A 71 ALA CA . 18966 1 694 . 1 1 71 71 ALA CB C 13 22.801 0.000 . 1 . . . A 71 ALA CB . 18966 1 695 . 1 1 71 71 ALA N N 15 130.006 0.000 . 1 . . . A 71 ALA N . 18966 1 696 . 1 1 72 72 VAL H H 1 8.836 0.000 . 1 . . . A 72 VAL H . 18966 1 697 . 1 1 72 72 VAL HA H 1 4.201 0.000 . 1 . . . A 72 VAL HA . 18966 1 698 . 1 1 72 72 VAL HB H 1 1.787 0.000 . 1 . . . A 72 VAL HB . 18966 1 699 . 1 1 72 72 VAL HG11 H 1 0.784 0.000 . 2 . . . A 72 VAL HG11 . 18966 1 700 . 1 1 72 72 VAL HG12 H 1 0.784 0.000 . 2 . . . A 72 VAL HG12 . 18966 1 701 . 1 1 72 72 VAL HG13 H 1 0.784 0.000 . 2 . . . A 72 VAL HG13 . 18966 1 702 . 1 1 72 72 VAL HG21 H 1 0.058 0.000 . 2 . . . A 72 VAL HG21 . 18966 1 703 . 1 1 72 72 VAL HG22 H 1 0.058 0.000 . 2 . . . A 72 VAL HG22 . 18966 1 704 . 1 1 72 72 VAL HG23 H 1 0.058 0.000 . 2 . . . A 72 VAL HG23 . 18966 1 705 . 1 1 72 72 VAL C C 13 173.158 0.000 . 1 . . . A 72 VAL C . 18966 1 706 . 1 1 72 72 VAL CA C 13 60.387 0.000 . 1 . . . A 72 VAL CA . 18966 1 707 . 1 1 72 72 VAL CB C 13 35.182 0.000 . 1 . . . A 72 VAL CB . 18966 1 708 . 1 1 72 72 VAL CG1 C 13 21.516 0.000 . 1 . . . A 72 VAL CG1 . 18966 1 709 . 1 1 72 72 VAL CG2 C 13 23.063 0.000 . 1 . . . A 72 VAL CG2 . 18966 1 710 . 1 1 72 72 VAL N N 15 123.791 0.000 . 1 . . . A 72 VAL N . 18966 1 711 . 1 1 73 73 ALA H H 1 8.641 0.000 . 1 . . . A 73 ALA H . 18966 1 712 . 1 1 73 73 ALA HA H 1 3.399 0.000 . 1 . . . A 73 ALA HA . 18966 1 713 . 1 1 73 73 ALA HB1 H 1 0.750 0.000 . 1 . . . A 73 ALA HB1 . 18966 1 714 . 1 1 73 73 ALA HB2 H 1 0.750 0.000 . 1 . . . A 73 ALA HB2 . 18966 1 715 . 1 1 73 73 ALA HB3 H 1 0.750 0.000 . 1 . . . A 73 ALA HB3 . 18966 1 716 . 1 1 73 73 ALA C C 13 177.544 0.000 . 1 . . . A 73 ALA C . 18966 1 717 . 1 1 73 73 ALA CA C 13 53.165 0.000 . 1 . . . A 73 ALA CA . 18966 1 718 . 1 1 73 73 ALA CB C 13 20.664 0.000 . 1 . . . A 73 ALA CB . 18966 1 719 . 1 1 73 73 ALA N N 15 130.275 0.000 . 1 . . . A 73 ALA N . 18966 1 720 . 1 1 74 74 ILE H H 1 8.362 0.000 . 1 . . . A 74 ILE H . 18966 1 721 . 1 1 74 74 ILE HA H 1 3.480 0.000 . 1 . . . A 74 ILE HA . 18966 1 722 . 1 1 74 74 ILE HB H 1 1.572 0.000 . 1 . . . A 74 ILE HB . 18966 1 723 . 1 1 74 74 ILE HG12 H 1 1.064 0.000 . 1 . . . A 74 ILE HG12 . 18966 1 724 . 1 1 74 74 ILE HG13 H 1 1.064 0.000 . 1 . . . A 74 ILE HG13 . 18966 1 725 . 1 1 74 74 ILE HG21 H 1 0.843 0.000 . 1 . . . A 74 ILE HG21 . 18966 1 726 . 1 1 74 74 ILE HG22 H 1 0.843 0.000 . 1 . . . A 74 ILE HG22 . 18966 1 727 . 1 1 74 74 ILE HG23 H 1 0.843 0.000 . 1 . . . A 74 ILE HG23 . 18966 1 728 . 1 1 74 74 ILE HD11 H 1 0.757 0.000 . 1 . . . A 74 ILE HD11 . 18966 1 729 . 1 1 74 74 ILE HD12 H 1 0.757 0.000 . 1 . . . A 74 ILE HD12 . 18966 1 730 . 1 1 74 74 ILE HD13 H 1 0.757 0.000 . 1 . . . A 74 ILE HD13 . 18966 1 731 . 1 1 74 74 ILE C C 13 177.003 0.000 . 1 . . . A 74 ILE C . 18966 1 732 . 1 1 74 74 ILE CA C 13 64.956 0.000 . 1 . . . A 74 ILE CA . 18966 1 733 . 1 1 74 74 ILE CB C 13 38.646 0.000 . 1 . . . A 74 ILE CB . 18966 1 734 . 1 1 74 74 ILE CG1 C 13 30.164 0.000 . 1 . . . A 74 ILE CG1 . 18966 1 735 . 1 1 74 74 ILE CG2 C 13 16.964 0.000 . 1 . . . A 74 ILE CG2 . 18966 1 736 . 1 1 74 74 ILE CD1 C 13 13.050 0.000 . 1 . . . A 74 ILE CD1 . 18966 1 737 . 1 1 74 74 ILE N N 15 121.520 0.000 . 1 . . . A 74 ILE N . 18966 1 738 . 1 1 75 75 ASP H H 1 8.247 0.000 . 1 . . . A 75 ASP H . 18966 1 739 . 1 1 75 75 ASP HA H 1 4.823 0.000 . 1 . . . A 75 ASP HA . 18966 1 740 . 1 1 75 75 ASP HB2 H 1 2.347 0.000 . 2 . . . A 75 ASP HB2 . 18966 1 741 . 1 1 75 75 ASP HB3 H 1 2.804 0.000 . 2 . . . A 75 ASP HB3 . 18966 1 742 . 1 1 75 75 ASP C C 13 176.102 0.000 . 1 . . . A 75 ASP C . 18966 1 743 . 1 1 75 75 ASP CA C 13 52.133 0.000 . 1 . . . A 75 ASP CA . 18966 1 744 . 1 1 75 75 ASP CB C 13 40.489 0.000 . 1 . . . A 75 ASP CB . 18966 1 745 . 1 1 75 75 ASP N N 15 118.634 0.000 . 1 . . . A 75 ASP N . 18966 1 746 . 1 1 76 76 LYS H H 1 8.098 0.000 . 1 . . . A 76 LYS H . 18966 1 747 . 1 1 76 76 LYS HA H 1 3.862 0.000 . 1 . . . A 76 LYS HA . 18966 1 748 . 1 1 76 76 LYS HB2 H 1 1.693 0.000 . 2 . . . A 76 LYS HB2 . 18966 1 749 . 1 1 76 76 LYS HB3 H 1 1.830 0.000 . 2 . . . A 76 LYS HB3 . 18966 1 750 . 1 1 76 76 LYS HG2 H 1 1.196 0.000 . 2 . . . A 76 LYS HG2 . 18966 1 751 . 1 1 76 76 LYS HG3 H 1 1.196 0.000 . 2 . . . A 76 LYS HG3 . 18966 1 752 . 1 1 76 76 LYS HD2 H 1 1.561 0.000 . 2 . . . A 76 LYS HD2 . 18966 1 753 . 1 1 76 76 LYS HD3 H 1 1.561 0.000 . 2 . . . A 76 LYS HD3 . 18966 1 754 . 1 1 76 76 LYS HE2 H 1 2.905 0.000 . 2 . . . A 76 LYS HE2 . 18966 1 755 . 1 1 76 76 LYS HE3 H 1 2.905 0.000 . 2 . . . A 76 LYS HE3 . 18966 1 756 . 1 1 76 76 LYS C C 13 177.524 0.000 . 1 . . . A 76 LYS C . 18966 1 757 . 1 1 76 76 LYS CA C 13 58.544 0.000 . 1 . . . A 76 LYS CA . 18966 1 758 . 1 1 76 76 LYS CB C 13 32.456 0.000 . 1 . . . A 76 LYS CB . 18966 1 759 . 1 1 76 76 LYS CG C 13 24.702 0.000 . 1 . . . A 76 LYS CG . 18966 1 760 . 1 1 76 76 LYS CD C 13 29.254 0.000 . 1 . . . A 76 LYS CD . 18966 1 761 . 1 1 76 76 LYS CE C 13 42.180 0.000 . 1 . . . A 76 LYS CE . 18966 1 762 . 1 1 76 76 LYS N N 15 123.707 0.000 . 1 . . . A 76 LYS N . 18966 1 763 . 1 1 77 77 ASP H H 1 8.090 0.000 . 1 . . . A 77 ASP H . 18966 1 764 . 1 1 77 77 ASP HA H 1 4.390 0.000 . 1 . . . A 77 ASP HA . 18966 1 765 . 1 1 77 77 ASP HB2 H 1 2.617 0.000 . 2 . . . A 77 ASP HB2 . 18966 1 766 . 1 1 77 77 ASP HB3 H 1 2.718 0.000 . 2 . . . A 77 ASP HB3 . 18966 1 767 . 1 1 77 77 ASP C C 13 177.644 0.000 . 1 . . . A 77 ASP C . 18966 1 768 . 1 1 77 77 ASP CA C 13 56.849 0.000 . 1 . . . A 77 ASP CA . 18966 1 769 . 1 1 77 77 ASP CB C 13 40.857 0.000 . 1 . . . A 77 ASP CB . 18966 1 770 . 1 1 77 77 ASP N N 15 117.288 0.000 . 1 . . . A 77 ASP N . 18966 1 771 . 1 1 78 78 LYS H H 1 7.169 0.000 . 1 . . . A 78 LYS H . 18966 1 772 . 1 1 78 78 LYS HA H 1 4.201 0.000 . 1 . . . A 78 LYS HA . 18966 1 773 . 1 1 78 78 LYS HB2 H 1 1.640 0.000 . 2 . . . A 78 LYS HB2 . 18966 1 774 . 1 1 78 78 LYS HB3 H 1 1.794 0.000 . 2 . . . A 78 LYS HB3 . 18966 1 775 . 1 1 78 78 LYS HG2 H 1 1.443 0.000 . 2 . . . A 78 LYS HG2 . 18966 1 776 . 1 1 78 78 LYS HG3 H 1 1.443 0.000 . 2 . . . A 78 LYS HG3 . 18966 1 777 . 1 1 78 78 LYS HD2 H 1 1.360 0.000 . 2 . . . A 78 LYS HD2 . 18966 1 778 . 1 1 78 78 LYS HD3 H 1 1.360 0.000 . 2 . . . A 78 LYS HD3 . 18966 1 779 . 1 1 78 78 LYS HE2 H 1 3.014 0.000 . 2 . . . A 78 LYS HE2 . 18966 1 780 . 1 1 78 78 LYS HE3 H 1 3.014 0.000 . 2 . . . A 78 LYS HE3 . 18966 1 781 . 1 1 78 78 LYS C C 13 176.342 0.000 . 1 . . . A 78 LYS C . 18966 1 782 . 1 1 78 78 LYS CA C 13 56.997 0.000 . 1 . . . A 78 LYS CA . 18966 1 783 . 1 1 78 78 LYS CB C 13 33.782 0.000 . 1 . . . A 78 LYS CB . 18966 1 784 . 1 1 78 78 LYS CG C 13 25.066 0.000 . 1 . . . A 78 LYS CG . 18966 1 785 . 1 1 78 78 LYS CD C 13 28.980 0.000 . 1 . . . A 78 LYS CD . 18966 1 786 . 1 1 78 78 LYS CE C 13 41.998 0.000 . 1 . . . A 78 LYS CE . 18966 1 787 . 1 1 78 78 LYS N N 15 117.086 0.000 . 1 . . . A 78 LYS N . 18966 1 788 . 1 1 79 79 ASN H H 1 7.188 0.000 . 1 . . . A 79 ASN H . 18966 1 789 . 1 1 79 79 ASN HA H 1 5.140 0.000 . 1 . . . A 79 ASN HA . 18966 1 790 . 1 1 79 79 ASN HB2 H 1 2.194 0.000 . 2 . . . A 79 ASN HB2 . 18966 1 791 . 1 1 79 79 ASN HB3 H 1 2.358 0.000 . 2 . . . A 79 ASN HB3 . 18966 1 792 . 1 1 79 79 ASN C C 13 171.676 0.000 . 1 . . . A 79 ASN C . 18966 1 793 . 1 1 79 79 ASN CA C 13 50.880 0.000 . 1 . . . A 79 ASN CA . 18966 1 794 . 1 1 79 79 ASN CB C 13 41.447 0.000 . 1 . . . A 79 ASN CB . 18966 1 795 . 1 1 79 79 ASN N N 15 115.298 0.000 . 1 . . . A 79 ASN N . 18966 1 796 . 1 1 80 80 PRO HA H 1 4.658 0.000 . 1 . . . A 80 PRO HA . 18966 1 797 . 1 1 80 80 PRO HB2 H 1 2.169 0.000 . 2 . . . A 80 PRO HB2 . 18966 1 798 . 1 1 80 80 PRO HB3 H 1 2.169 0.000 . 2 . . . A 80 PRO HB3 . 18966 1 799 . 1 1 80 80 PRO HG2 H 1 1.771 0.000 . 2 . . . A 80 PRO HG2 . 18966 1 800 . 1 1 80 80 PRO HG3 H 1 2.031 0.000 . 2 . . . A 80 PRO HG3 . 18966 1 801 . 1 1 80 80 PRO HD2 H 1 3.402 0.000 . 2 . . . A 80 PRO HD2 . 18966 1 802 . 1 1 80 80 PRO HD3 H 1 3.705 0.000 . 2 . . . A 80 PRO HD3 . 18966 1 803 . 1 1 80 80 PRO C C 13 175.641 0.000 . 1 . . . A 80 PRO C . 18966 1 804 . 1 1 80 80 PRO CA C 13 64.145 0.000 . 1 . . . A 80 PRO CA . 18966 1 805 . 1 1 80 80 PRO CB C 13 31.055 0.000 . 1 . . . A 80 PRO CB . 18966 1 806 . 1 1 80 80 PRO CG C 13 27.069 0.000 . 1 . . . A 80 PRO CG . 18966 1 807 . 1 1 80 80 PRO CD C 13 50.373 0.000 . 1 . . . A 80 PRO CD . 18966 1 808 . 1 1 81 81 PHE H H 1 7.410 0.000 . 1 . . . A 81 PHE H . 18966 1 809 . 1 1 81 81 PHE HA H 1 5.061 0.000 . 1 . . . A 81 PHE HA . 18966 1 810 . 1 1 81 81 PHE HB2 H 1 2.992 0.000 . 2 . . . A 81 PHE HB2 . 18966 1 811 . 1 1 81 81 PHE HB3 H 1 3.089 0.000 . 2 . . . A 81 PHE HB3 . 18966 1 812 . 1 1 81 81 PHE HD1 H 1 7.069 0.000 . 3 . . . A 81 PHE HD1 . 18966 1 813 . 1 1 81 81 PHE HD2 H 1 7.069 0.000 . 3 . . . A 81 PHE HD2 . 18966 1 814 . 1 1 81 81 PHE HE1 H 1 7.329 0.000 . 3 . . . A 81 PHE HE1 . 18966 1 815 . 1 1 81 81 PHE HE2 H 1 7.329 0.000 . 3 . . . A 81 PHE HE2 . 18966 1 816 . 1 1 81 81 PHE C C 13 174.860 0.000 . 1 . . . A 81 PHE C . 18966 1 817 . 1 1 81 81 PHE CA C 13 56.112 0.000 . 1 . . . A 81 PHE CA . 18966 1 818 . 1 1 81 81 PHE CB C 13 40.489 0.000 . 1 . . . A 81 PHE CB . 18966 1 819 . 1 1 81 81 PHE CD1 C 13 132.224 0.000 . 3 . . . A 81 PHE CD1 . 18966 1 820 . 1 1 81 81 PHE CD2 C 13 132.224 0.000 . 3 . . . A 81 PHE CD2 . 18966 1 821 . 1 1 81 81 PHE CE1 C 13 130.583 0.000 . 3 . . . A 81 PHE CE1 . 18966 1 822 . 1 1 81 81 PHE CE2 C 13 130.583 0.000 . 3 . . . A 81 PHE CE2 . 18966 1 823 . 1 1 81 81 PHE N N 15 115.742 0.000 . 1 . . . A 81 PHE N . 18966 1 824 . 1 1 82 82 ILE H H 1 8.784 0.000 . 1 . . . A 82 ILE H . 18966 1 825 . 1 1 82 82 ILE HA H 1 5.027 0.000 . 1 . . . A 82 ILE HA . 18966 1 826 . 1 1 82 82 ILE HB H 1 1.885 0.000 . 1 . . . A 82 ILE HB . 18966 1 827 . 1 1 82 82 ILE HG12 H 1 1.388 0.000 . 1 . . . A 82 ILE HG12 . 18966 1 828 . 1 1 82 82 ILE HG13 H 1 1.147 0.000 . 1 . . . A 82 ILE HG13 . 18966 1 829 . 1 1 82 82 ILE HG21 H 1 0.867 0.000 . 1 . . . A 82 ILE HG21 . 18966 1 830 . 1 1 82 82 ILE HG22 H 1 0.867 0.000 . 1 . . . A 82 ILE HG22 . 18966 1 831 . 1 1 82 82 ILE HG23 H 1 0.867 0.000 . 1 . . . A 82 ILE HG23 . 18966 1 832 . 1 1 82 82 ILE HD11 H 1 0.748 0.000 . 1 . . . A 82 ILE HD11 . 18966 1 833 . 1 1 82 82 ILE HD12 H 1 0.748 0.000 . 1 . . . A 82 ILE HD12 . 18966 1 834 . 1 1 82 82 ILE HD13 H 1 0.748 0.000 . 1 . . . A 82 ILE HD13 . 18966 1 835 . 1 1 82 82 ILE C C 13 175.177 0.000 . 1 . . . A 82 ILE C . 18966 1 836 . 1 1 82 82 ILE CA C 13 59.871 0.000 . 1 . . . A 82 ILE CA . 18966 1 837 . 1 1 82 82 ILE CB C 13 41.078 0.000 . 1 . . . A 82 ILE CB . 18966 1 838 . 1 1 82 82 ILE CG1 C 13 28.889 0.000 . 1 . . . A 82 ILE CG1 . 18966 1 839 . 1 1 82 82 ILE CG2 C 13 20.970 0.000 . 1 . . . A 82 ILE CG2 . 18966 1 840 . 1 1 82 82 ILE CD1 C 13 16.145 0.000 . 1 . . . A 82 ILE CD1 . 18966 1 841 . 1 1 82 82 ILE N N 15 117.557 0.000 . 1 . . . A 82 ILE N . 18966 1 842 . 1 1 83 83 ILE H H 1 8.499 0.000 . 1 . . . A 83 ILE H . 18966 1 843 . 1 1 83 83 ILE HA H 1 5.144 0.000 . 1 . . . A 83 ILE HA . 18966 1 844 . 1 1 83 83 ILE HB H 1 1.498 0.000 . 1 . . . A 83 ILE HB . 18966 1 845 . 1 1 83 83 ILE HG12 H 1 0.900 0.000 . 1 . . . A 83 ILE HG12 . 18966 1 846 . 1 1 83 83 ILE HG13 H 1 0.900 0.000 . 1 . . . A 83 ILE HG13 . 18966 1 847 . 1 1 83 83 ILE HG21 H 1 0.650 0.000 . 1 . . . A 83 ILE HG21 . 18966 1 848 . 1 1 83 83 ILE HG22 H 1 0.650 0.000 . 1 . . . A 83 ILE HG22 . 18966 1 849 . 1 1 83 83 ILE HG23 H 1 0.650 0.000 . 1 . . . A 83 ILE HG23 . 18966 1 850 . 1 1 83 83 ILE HD11 H 1 0.483 0.000 . 1 . . . A 83 ILE HD11 . 18966 1 851 . 1 1 83 83 ILE HD12 H 1 0.483 0.000 . 1 . . . A 83 ILE HD12 . 18966 1 852 . 1 1 83 83 ILE HD13 H 1 0.483 0.000 . 1 . . . A 83 ILE HD13 . 18966 1 853 . 1 1 83 83 ILE C C 13 174.360 0.000 . 1 . . . A 83 ILE C . 18966 1 854 . 1 1 83 83 ILE CA C 13 60.092 0.000 . 1 . . . A 83 ILE CA . 18966 1 855 . 1 1 83 83 ILE CB C 13 41.226 0.000 . 1 . . . A 83 ILE CB . 18966 1 856 . 1 1 83 83 ILE CG1 C 13 27.433 0.000 . 1 . . . A 83 ILE CG1 . 18966 1 857 . 1 1 83 83 ILE CG2 C 13 18.330 0.000 . 1 . . . A 83 ILE CG2 . 18966 1 858 . 1 1 83 83 ILE CD1 C 13 15.144 0.000 . 1 . . . A 83 ILE CD1 . 18966 1 859 . 1 1 83 83 ILE N N 15 123.718 0.000 . 1 . . . A 83 ILE N . 18966 1 860 . 1 1 84 84 LYS H H 1 9.340 0.000 . 1 . . . A 84 LYS H . 18966 1 861 . 1 1 84 84 LYS HA H 1 5.628 0.000 . 1 . . . A 84 LYS HA . 18966 1 862 . 1 1 84 84 LYS HB2 H 1 1.550 0.000 . 2 . . . A 84 LYS HB2 . 18966 1 863 . 1 1 84 84 LYS HB3 H 1 1.550 0.000 . 2 . . . A 84 LYS HB3 . 18966 1 864 . 1 1 84 84 LYS HG2 H 1 0.770 0.000 . 2 . . . A 84 LYS HG2 . 18966 1 865 . 1 1 84 84 LYS HG3 H 1 0.770 0.000 . 2 . . . A 84 LYS HG3 . 18966 1 866 . 1 1 84 84 LYS HD2 H 1 1.168 0.000 . 2 . . . A 84 LYS HD2 . 18966 1 867 . 1 1 84 84 LYS HD3 H 1 1.168 0.000 . 2 . . . A 84 LYS HD3 . 18966 1 868 . 1 1 84 84 LYS HE2 H 1 2.194 0.000 . 2 . . . A 84 LYS HE2 . 18966 1 869 . 1 1 84 84 LYS HE3 H 1 2.373 0.000 . 2 . . . A 84 LYS HE3 . 18966 1 870 . 1 1 84 84 LYS C C 13 174.640 0.000 . 1 . . . A 84 LYS C . 18966 1 871 . 1 1 84 84 LYS CA C 13 54.638 0.000 . 1 . . . A 84 LYS CA . 18966 1 872 . 1 1 84 84 LYS CB C 13 37.172 0.000 . 1 . . . A 84 LYS CB . 18966 1 873 . 1 1 84 84 LYS CG C 13 24.611 0.000 . 1 . . . A 84 LYS CG . 18966 1 874 . 1 1 84 84 LYS CD C 13 26.978 0.000 . 1 . . . A 84 LYS CD . 18966 1 875 . 1 1 84 84 LYS CE C 13 41.816 0.000 . 1 . . . A 84 LYS CE . 18966 1 876 . 1 1 84 84 LYS N N 15 124.882 0.000 . 1 . . . A 84 LYS N . 18966 1 877 . 1 1 85 85 MET H H 1 8.752 0.000 . 1 . . . A 85 MET H . 18966 1 878 . 1 1 85 85 MET HA H 1 5.738 0.000 . 1 . . . A 85 MET HA . 18966 1 879 . 1 1 85 85 MET HB2 H 1 1.657 0.000 . 2 . . . A 85 MET HB2 . 18966 1 880 . 1 1 85 85 MET HB3 H 1 1.657 0.000 . 2 . . . A 85 MET HB3 . 18966 1 881 . 1 1 85 85 MET HG2 H 1 2.128 0.000 . 2 . . . A 85 MET HG2 . 18966 1 882 . 1 1 85 85 MET HG3 H 1 2.128 0.000 . 2 . . . A 85 MET HG3 . 18966 1 883 . 1 1 85 85 MET HE1 H 1 2.047 0.000 . 1 . . . A 85 MET HE1 . 18966 1 884 . 1 1 85 85 MET HE2 H 1 2.047 0.000 . 1 . . . A 85 MET HE2 . 18966 1 885 . 1 1 85 85 MET HE3 H 1 2.047 0.000 . 1 . . . A 85 MET HE3 . 18966 1 886 . 1 1 85 85 MET C C 13 174.340 0.000 . 1 . . . A 85 MET C . 18966 1 887 . 1 1 85 85 MET CA C 13 54.860 0.000 . 1 . . . A 85 MET CA . 18966 1 888 . 1 1 85 85 MET CB C 13 38.941 0.000 . 1 . . . A 85 MET CB . 18966 1 889 . 1 1 85 85 MET CG C 13 31.529 0.000 . 1 . . . A 85 MET CG . 18966 1 890 . 1 1 85 85 MET CE C 13 16.837 0.000 . 1 . . . A 85 MET CE . 18966 1 891 . 1 1 85 85 MET N N 15 121.437 0.000 . 1 . . . A 85 MET N . 18966 1 892 . 1 1 86 86 ASN H H 1 7.827 0.000 . 1 . . . A 86 ASN H . 18966 1 893 . 1 1 86 86 ASN HA H 1 5.531 0.000 . 1 . . . A 86 ASN HA . 18966 1 894 . 1 1 86 86 ASN HB2 H 1 2.943 0.000 . 2 . . . A 86 ASN HB2 . 18966 1 895 . 1 1 86 86 ASN HB3 H 1 3.627 0.000 . 2 . . . A 86 ASN HB3 . 18966 1 896 . 1 1 86 86 ASN C C 13 176.903 0.000 . 1 . . . A 86 ASN C . 18966 1 897 . 1 1 86 86 ASN CA C 13 51.543 0.000 . 1 . . . A 86 ASN CA . 18966 1 898 . 1 1 86 86 ASN CB C 13 40.857 0.000 . 1 . . . A 86 ASN CB . 18966 1 899 . 1 1 86 86 ASN N N 15 125.240 0.000 . 1 . . . A 86 ASN N . 18966 1 900 . 1 1 87 87 GLU H H 1 8.103 0.000 . 1 . . . A 87 GLU H . 18966 1 901 . 1 1 87 87 GLU HA H 1 4.880 0.000 . 1 . . . A 87 GLU HA . 18966 1 902 . 1 1 87 87 GLU HB3 H 1 3.467 0.000 . 2 . . . A 87 GLU HB3 . 18966 1 903 . 1 1 87 87 GLU HG2 H 1 2.324 0.000 . 2 . . . A 87 GLU HG2 . 18966 1 904 . 1 1 87 87 GLU HG3 H 1 2.552 0.000 . 2 . . . A 87 GLU HG3 . 18966 1 905 . 1 1 87 87 GLU C C 13 176.352 0.000 . 1 . . . A 87 GLU C . 18966 1 906 . 1 1 87 87 GLU CA C 13 58.397 0.000 . 1 . . . A 87 GLU CA . 18966 1 907 . 1 1 87 87 GLU CB C 13 28.889 0.000 . 1 . . . A 87 GLU CB . 18966 1 908 . 1 1 87 87 GLU CG C 13 40.996 0.000 . 1 . . . A 87 GLU CG . 18966 1 909 . 1 1 87 87 GLU N N 15 115.497 0.000 . 1 . . . A 87 GLU N . 18966 1 910 . 1 1 88 88 ASN H H 1 7.331 0.000 . 1 . . . A 88 ASN H . 18966 1 911 . 1 1 88 88 ASN HA H 1 4.902 0.000 . 1 . . . A 88 ASN HA . 18966 1 912 . 1 1 88 88 ASN HB2 H 1 2.567 0.000 . 2 . . . A 88 ASN HB2 . 18966 1 913 . 1 1 88 88 ASN HB3 H 1 3.005 0.000 . 2 . . . A 88 ASN HB3 . 18966 1 914 . 1 1 88 88 ASN C C 13 174.440 0.000 . 1 . . . A 88 ASN C . 18966 1 915 . 1 1 88 88 ASN CA C 13 53.017 0.000 . 1 . . . A 88 ASN CA . 18966 1 916 . 1 1 88 88 ASN CB C 13 39.383 0.000 . 1 . . . A 88 ASN CB . 18966 1 917 . 1 1 88 88 ASN N N 15 119.003 0.000 . 1 . . . A 88 ASN N . 18966 1 918 . 1 1 89 89 LEU H H 1 8.583 0.000 . 1 . . . A 89 LEU H . 18966 1 919 . 1 1 89 89 LEU HA H 1 3.895 0.000 . 1 . . . A 89 LEU HA . 18966 1 920 . 1 1 89 89 LEU HB2 H 1 1.533 0.000 . 2 . . . A 89 LEU HB2 . 18966 1 921 . 1 1 89 89 LEU HB3 H 1 2.187 0.000 . 2 . . . A 89 LEU HB3 . 18966 1 922 . 1 1 89 89 LEU HG H 1 1.429 0.000 . 1 . . . A 89 LEU HG . 18966 1 923 . 1 1 89 89 LEU HD11 H 1 0.924 0.000 . 2 . . . A 89 LEU HD11 . 18966 1 924 . 1 1 89 89 LEU HD12 H 1 0.924 0.000 . 2 . . . A 89 LEU HD12 . 18966 1 925 . 1 1 89 89 LEU HD13 H 1 0.924 0.000 . 2 . . . A 89 LEU HD13 . 18966 1 926 . 1 1 89 89 LEU HD21 H 1 0.843 0.000 . 2 . . . A 89 LEU HD21 . 18966 1 927 . 1 1 89 89 LEU HD22 H 1 0.843 0.000 . 2 . . . A 89 LEU HD22 . 18966 1 928 . 1 1 89 89 LEU HD23 H 1 0.843 0.000 . 2 . . . A 89 LEU HD23 . 18966 1 929 . 1 1 89 89 LEU C C 13 176.002 0.000 . 1 . . . A 89 LEU C . 18966 1 930 . 1 1 89 89 LEU CA C 13 55.891 0.000 . 1 . . . A 89 LEU CA . 18966 1 931 . 1 1 89 89 LEU CB C 13 37.393 0.000 . 1 . . . A 89 LEU CB . 18966 1 932 . 1 1 89 89 LEU CG C 13 27.069 0.000 . 1 . . . A 89 LEU CG . 18966 1 933 . 1 1 89 89 LEU CD1 C 13 25.339 0.000 . 1 . . . A 89 LEU CD1 . 18966 1 934 . 1 1 89 89 LEU CD2 C 13 23.154 0.000 . 1 . . . A 89 LEU CD2 . 18966 1 935 . 1 1 89 89 LEU N N 15 115.277 0.000 . 1 . . . A 89 LEU N . 18966 1 936 . 1 1 90 90 VAL H H 1 7.619 0.000 . 1 . . . A 90 VAL H . 18966 1 937 . 1 1 90 90 VAL HA H 1 3.707 0.000 . 1 . . . A 90 VAL HA . 18966 1 938 . 1 1 90 90 VAL HB H 1 1.803 0.000 . 1 . . . A 90 VAL HB . 18966 1 939 . 1 1 90 90 VAL HG11 H 1 0.859 0.000 . 2 . . . A 90 VAL HG11 . 18966 1 940 . 1 1 90 90 VAL HG12 H 1 0.859 0.000 . 2 . . . A 90 VAL HG12 . 18966 1 941 . 1 1 90 90 VAL HG13 H 1 0.859 0.000 . 2 . . . A 90 VAL HG13 . 18966 1 942 . 1 1 90 90 VAL HG21 H 1 0.456 0.000 . 2 . . . A 90 VAL HG21 . 18966 1 943 . 1 1 90 90 VAL HG22 H 1 0.456 0.000 . 2 . . . A 90 VAL HG22 . 18966 1 944 . 1 1 90 90 VAL HG23 H 1 0.456 0.000 . 2 . . . A 90 VAL HG23 . 18966 1 945 . 1 1 90 90 VAL C C 13 174.920 0.000 . 1 . . . A 90 VAL C . 18966 1 946 . 1 1 90 90 VAL CA C 13 63.335 0.000 . 1 . . . A 90 VAL CA . 18966 1 947 . 1 1 90 90 VAL CB C 13 31.866 0.000 . 1 . . . A 90 VAL CB . 18966 1 948 . 1 1 90 90 VAL CG1 C 13 21.607 0.000 . 1 . . . A 90 VAL CG1 . 18966 1 949 . 1 1 90 90 VAL CG2 C 13 22.517 0.000 . 1 . . . A 90 VAL CG2 . 18966 1 950 . 1 1 90 90 VAL N N 15 122.557 0.000 . 1 . . . A 90 VAL N . 18966 1 951 . 1 1 91 91 THR H H 1 8.139 0.000 . 1 . . . A 91 THR H . 18966 1 952 . 1 1 91 91 THR HA H 1 5.290 0.000 . 1 . . . A 91 THR HA . 18966 1 953 . 1 1 91 91 THR HB H 1 4.109 0.000 . 1 . . . A 91 THR HB . 18966 1 954 . 1 1 91 91 THR HG21 H 1 1.013 0.000 . 1 . . . A 91 THR HG21 . 18966 1 955 . 1 1 91 91 THR HG22 H 1 1.013 0.000 . 1 . . . A 91 THR HG22 . 18966 1 956 . 1 1 91 91 THR HG23 H 1 1.013 0.000 . 1 . . . A 91 THR HG23 . 18966 1 957 . 1 1 91 91 THR C C 13 173.078 0.000 . 1 . . . A 91 THR C . 18966 1 958 . 1 1 91 91 THR CA C 13 61.861 0.000 . 1 . . . A 91 THR CA . 18966 1 959 . 1 1 91 91 THR CB C 13 69.525 0.000 . 1 . . . A 91 THR CB . 18966 1 960 . 1 1 91 91 THR CG2 C 13 21.334 0.000 . 1 . . . A 91 THR CG2 . 18966 1 961 . 1 1 91 91 THR N N 15 121.158 0.000 . 1 . . . A 91 THR N . 18966 1 962 . 1 1 92 92 PHE H H 1 9.513 0.000 . 1 . . . A 92 PHE H . 18966 1 963 . 1 1 92 92 PHE HA H 1 5.259 0.000 . 1 . . . A 92 PHE HA . 18966 1 964 . 1 1 92 92 PHE HB2 H 1 2.658 0.000 . 2 . . . A 92 PHE HB2 . 18966 1 965 . 1 1 92 92 PHE HB3 H 1 2.832 0.000 . 2 . . . A 92 PHE HB3 . 18966 1 966 . 1 1 92 92 PHE HD1 H 1 6.883 0.000 . 3 . . . A 92 PHE HD1 . 18966 1 967 . 1 1 92 92 PHE HD2 H 1 6.883 0.000 . 3 . . . A 92 PHE HD2 . 18966 1 968 . 1 1 92 92 PHE HE1 H 1 7.165 0.000 . 3 . . . A 92 PHE HE1 . 18966 1 969 . 1 1 92 92 PHE HE2 H 1 7.165 0.000 . 3 . . . A 92 PHE HE2 . 18966 1 970 . 1 1 92 92 PHE C C 13 174.720 0.000 . 1 . . . A 92 PHE C . 18966 1 971 . 1 1 92 92 PHE CA C 13 56.039 0.000 . 1 . . . A 92 PHE CA . 18966 1 972 . 1 1 92 92 PHE CB C 13 42.921 0.000 . 1 . . . A 92 PHE CB . 18966 1 973 . 1 1 92 92 PHE CD1 C 13 131.677 0.000 . 3 . . . A 92 PHE CD1 . 18966 1 974 . 1 1 92 92 PHE CD2 C 13 131.677 0.000 . 3 . . . A 92 PHE CD2 . 18966 1 975 . 1 1 92 92 PHE CE1 C 13 131.130 0.000 . 3 . . . A 92 PHE CE1 . 18966 1 976 . 1 1 92 92 PHE CE2 C 13 131.130 0.000 . 3 . . . A 92 PHE CE2 . 18966 1 977 . 1 1 92 92 PHE N N 15 124.497 0.000 . 1 . . . A 92 PHE N . 18966 1 978 . 1 1 93 93 ILE H H 1 9.221 0.000 . 1 . . . A 93 ILE H . 18966 1 979 . 1 1 93 93 ILE HA H 1 5.382 0.000 . 1 . . . A 93 ILE HA . 18966 1 980 . 1 1 93 93 ILE HB H 1 1.770 0.000 . 1 . . . A 93 ILE HB . 18966 1 981 . 1 1 93 93 ILE HG12 H 1 1.150 0.000 . 1 . . . A 93 ILE HG12 . 18966 1 982 . 1 1 93 93 ILE HG13 H 1 1.507 0.000 . 1 . . . A 93 ILE HG13 . 18966 1 983 . 1 1 93 93 ILE HG21 H 1 0.821 0.000 . 1 . . . A 93 ILE HG21 . 18966 1 984 . 1 1 93 93 ILE HG22 H 1 0.821 0.000 . 1 . . . A 93 ILE HG22 . 18966 1 985 . 1 1 93 93 ILE HG23 H 1 0.821 0.000 . 1 . . . A 93 ILE HG23 . 18966 1 986 . 1 1 93 93 ILE HD11 H 1 0.483 0.000 . 1 . . . A 93 ILE HD11 . 18966 1 987 . 1 1 93 93 ILE HD12 H 1 0.483 0.000 . 1 . . . A 93 ILE HD12 . 18966 1 988 . 1 1 93 93 ILE HD13 H 1 0.483 0.000 . 1 . . . A 93 ILE HD13 . 18966 1 989 . 1 1 93 93 ILE C C 13 176.803 0.000 . 1 . . . A 93 ILE C . 18966 1 990 . 1 1 93 93 ILE CA C 13 58.544 0.000 . 1 . . . A 93 ILE CA . 18966 1 991 . 1 1 93 93 ILE CB C 13 40.341 0.000 . 1 . . . A 93 ILE CB . 18966 1 992 . 1 1 93 93 ILE CG1 C 13 27.251 0.000 . 1 . . . A 93 ILE CG1 . 18966 1 993 . 1 1 93 93 ILE CG2 C 13 17.146 0.000 . 1 . . . A 93 ILE CG2 . 18966 1 994 . 1 1 93 93 ILE CD1 C 13 13.141 0.000 . 1 . . . A 93 ILE CD1 . 18966 1 995 . 1 1 93 93 ILE N N 15 118.808 0.000 . 1 . . . A 93 ILE N . 18966 1 996 . 1 1 94 94 CYS H H 1 9.166 0.000 . 1 . . . A 94 CYS H . 18966 1 997 . 1 1 94 94 CYS HA H 1 5.849 0.000 . 1 . . . A 94 CYS HA . 18966 1 998 . 1 1 94 94 CYS HB2 H 1 2.878 0.000 . 2 . . . A 94 CYS HB2 . 18966 1 999 . 1 1 94 94 CYS HB3 H 1 3.317 0.000 . 2 . . . A 94 CYS HB3 . 18966 1 1000 . 1 1 94 94 CYS C C 13 174.340 0.000 . 1 . . . A 94 CYS C . 18966 1 1001 . 1 1 94 94 CYS CA C 13 54.565 0.000 . 1 . . . A 94 CYS CA . 18966 1 1002 . 1 1 94 94 CYS CB C 13 47.121 0.000 . 1 . . . A 94 CYS CB . 18966 1 1003 . 1 1 94 94 CYS N N 15 123.980 0.000 . 1 . . . A 94 CYS N . 18966 1 1004 . 1 1 95 95 LYS H H 1 8.115 0.000 . 1 . . . A 95 LYS H . 18966 1 1005 . 1 1 95 95 LYS HA H 1 4.522 0.000 . 1 . . . A 95 LYS HA . 18966 1 1006 . 1 1 95 95 LYS HB2 H 1 2.129 0.000 . 2 . . . A 95 LYS HB2 . 18966 1 1007 . 1 1 95 95 LYS HB3 H 1 2.129 0.000 . 2 . . . A 95 LYS HB3 . 18966 1 1008 . 1 1 95 95 LYS HG2 H 1 1.543 0.000 . 2 . . . A 95 LYS HG2 . 18966 1 1009 . 1 1 95 95 LYS HG3 H 1 1.543 0.000 . 2 . . . A 95 LYS HG3 . 18966 1 1010 . 1 1 95 95 LYS HD2 H 1 1.817 0.000 . 2 . . . A 95 LYS HD2 . 18966 1 1011 . 1 1 95 95 LYS HD3 H 1 1.817 0.000 . 2 . . . A 95 LYS HD3 . 18966 1 1012 . 1 1 95 95 LYS HE2 H 1 3.088 0.000 . 2 . . . A 95 LYS HE2 . 18966 1 1013 . 1 1 95 95 LYS HE3 H 1 3.088 0.000 . 2 . . . A 95 LYS HE3 . 18966 1 1014 . 1 1 95 95 LYS C C 13 175.862 0.000 . 1 . . . A 95 LYS C . 18966 1 1015 . 1 1 95 95 LYS CA C 13 57.734 0.000 . 1 . . . A 95 LYS CA . 18966 1 1016 . 1 1 95 95 LYS CB C 13 34.151 0.000 . 1 . . . A 95 LYS CB . 18966 1 1017 . 1 1 95 95 LYS CG C 13 25.885 0.000 . 1 . . . A 95 LYS CG . 18966 1 1018 . 1 1 95 95 LYS CD C 13 28.798 0.000 . 1 . . . A 95 LYS CD . 18966 1 1019 . 1 1 95 95 LYS CE C 13 41.998 0.000 . 1 . . . A 95 LYS CE . 18966 1 1020 . 1 1 95 95 LYS N N 15 120.586 0.000 . 1 . . . A 95 LYS N . 18966 1 1021 . 1 1 96 96 LYS H H 1 7.842 0.000 . 1 . . . A 96 LYS H . 18966 1 1022 . 1 1 96 96 LYS HA H 1 4.750 0.000 . 1 . . . A 96 LYS HA . 18966 1 1023 . 1 1 96 96 LYS HB2 H 1 1.671 0.000 . 2 . . . A 96 LYS HB2 . 18966 1 1024 . 1 1 96 96 LYS HB3 H 1 1.671 0.000 . 2 . . . A 96 LYS HB3 . 18966 1 1025 . 1 1 96 96 LYS HG2 H 1 1.347 0.000 . 2 . . . A 96 LYS HG2 . 18966 1 1026 . 1 1 96 96 LYS HG3 H 1 1.347 0.000 . 2 . . . A 96 LYS HG3 . 18966 1 1027 . 1 1 96 96 LYS HD2 H 1 1.689 0.000 . 2 . . . A 96 LYS HD2 . 18966 1 1028 . 1 1 96 96 LYS HD3 H 1 1.689 0.000 . 2 . . . A 96 LYS HD3 . 18966 1 1029 . 1 1 96 96 LYS HE2 H 1 3.024 0.000 . 2 . . . A 96 LYS HE2 . 18966 1 1030 . 1 1 96 96 LYS HE3 H 1 3.024 0.000 . 2 . . . A 96 LYS HE3 . 18966 1 1031 . 1 1 96 96 LYS C C 13 174.480 0.000 . 1 . . . A 96 LYS C . 18966 1 1032 . 1 1 96 96 LYS CA C 13 55.375 0.000 . 1 . . . A 96 LYS CA . 18966 1 1033 . 1 1 96 96 LYS CB C 13 35.772 0.000 . 1 . . . A 96 LYS CB . 18966 1 1034 . 1 1 96 96 LYS CG C 13 24.702 0.000 . 1 . . . A 96 LYS CG . 18966 1 1035 . 1 1 96 96 LYS CD C 13 29.254 0.000 . 1 . . . A 96 LYS CD . 18966 1 1036 . 1 1 96 96 LYS CE C 13 41.907 0.000 . 1 . . . A 96 LYS CE . 18966 1 1037 . 1 1 96 96 LYS N N 15 117.049 0.000 . 1 . . . A 96 LYS N . 18966 1 1038 . 1 1 97 97 SER H H 1 8.412 0.000 . 1 . . . A 97 SER H . 18966 1 1039 . 1 1 97 97 SER HA H 1 4.685 0.000 . 1 . . . A 97 SER HA . 18966 1 1040 . 1 1 97 97 SER HB2 H 1 4.375 0.000 . 2 . . . A 97 SER HB2 . 18966 1 1041 . 1 1 97 97 SER HB3 H 1 4.082 0.000 . 2 . . . A 97 SER HB3 . 18966 1 1042 . 1 1 97 97 SER C C 13 174.540 0.000 . 1 . . . A 97 SER C . 18966 1 1043 . 1 1 97 97 SER CA C 13 57.660 0.000 . 1 . . . A 97 SER CA . 18966 1 1044 . 1 1 97 97 SER CB C 13 66.062 0.000 . 1 . . . A 97 SER CB . 18966 1 1045 . 1 1 97 97 SER N N 15 115.773 0.000 . 1 . . . A 97 SER N . 18966 1 1046 . 1 1 98 98 ALA HA H 1 4.506 0.000 . 1 . . . A 98 ALA HA . 18966 1 1047 . 1 1 98 98 ALA HB1 H 1 1.461 0.000 . 1 . . . A 98 ALA HB1 . 18966 1 1048 . 1 1 98 98 ALA HB2 H 1 1.461 0.000 . 1 . . . A 98 ALA HB2 . 18966 1 1049 . 1 1 98 98 ALA HB3 H 1 1.461 0.000 . 1 . . . A 98 ALA HB3 . 18966 1 1050 . 1 1 98 98 ALA C C 13 178.225 0.000 . 1 . . . A 98 ALA C . 18966 1 1051 . 1 1 98 98 ALA CA C 13 52.428 0.000 . 1 . . . A 98 ALA CA . 18966 1 1052 . 1 1 98 98 ALA CB C 13 19.264 0.000 . 1 . . . A 98 ALA CB . 18966 1 1053 . 1 1 99 99 SER H H 1 8.275 0.000 . 1 . . . A 99 SER H . 18966 1 1054 . 1 1 99 99 SER HA H 1 4.473 0.000 . 1 . . . A 99 SER HA . 18966 1 1055 . 1 1 99 99 SER HB2 H 1 3.122 0.000 . 2 . . . A 99 SER HB2 . 18966 1 1056 . 1 1 99 99 SER HB3 H 1 3.161 0.000 . 2 . . . A 99 SER HB3 . 18966 1 1057 . 1 1 99 99 SER C C 13 172.157 0.000 . 1 . . . A 99 SER C . 18966 1 1058 . 1 1 99 99 SER CA C 13 60.313 0.000 . 1 . . . A 99 SER CA . 18966 1 1059 . 1 1 99 99 SER CB C 13 64.882 0.000 . 1 . . . A 99 SER CB . 18966 1 1060 . 1 1 99 99 SER N N 15 116.618 0.000 . 1 . . . A 99 SER N . 18966 1 1061 . 1 1 100 100 SER H H 1 8.828 0.000 . 1 . . . A 100 SER H . 18966 1 1062 . 1 1 100 100 SER HA H 1 4.796 0.000 . 1 . . . A 100 SER HA . 18966 1 1063 . 1 1 100 100 SER HB2 H 1 3.695 0.000 . 2 . . . A 100 SER HB2 . 18966 1 1064 . 1 1 100 100 SER HB3 H 1 3.836 0.000 . 2 . . . A 100 SER HB3 . 18966 1 1065 . 1 1 100 100 SER C C 13 174.520 0.000 . 1 . . . A 100 SER C . 18966 1 1066 . 1 1 100 100 SER CA C 13 56.702 0.000 . 1 . . . A 100 SER CA . 18966 1 1067 . 1 1 100 100 SER CB C 13 65.840 0.000 . 1 . . . A 100 SER CB . 18966 1 1068 . 1 1 100 100 SER N N 15 116.548 0.000 . 1 . . . A 100 SER N . 18966 1 1069 . 1 1 101 101 CYS H H 1 9.707 0.000 . 1 . . . A 101 CYS H . 18966 1 1070 . 1 1 101 101 CYS HA H 1 4.701 0.000 . 1 . . . A 101 CYS HA . 18966 1 1071 . 1 1 101 101 CYS HB2 H 1 2.878 0.000 . 2 . . . A 101 CYS HB2 . 18966 1 1072 . 1 1 101 101 CYS HB3 H 1 3.317 0.000 . 2 . . . A 101 CYS HB3 . 18966 1 1073 . 1 1 101 101 CYS C C 13 176.322 0.000 . 1 . . . A 101 CYS C . 18966 1 1074 . 1 1 101 101 CYS CA C 13 56.702 0.000 . 1 . . . A 101 CYS CA . 18966 1 1075 . 1 1 101 101 CYS CB C 13 40.783 0.000 . 1 . . . A 101 CYS CB . 18966 1 1076 . 1 1 101 101 CYS N N 15 122.260 0.000 . 1 . . . A 101 CYS N . 18966 1 1077 . 1 1 102 102 SER HA H 1 4.555 0.000 . 1 . . . A 102 SER HA . 18966 1 1078 . 1 1 102 102 SER HB2 H 1 3.871 0.000 . 2 . . . A 102 SER HB2 . 18966 1 1079 . 1 1 102 102 SER HB3 H 1 4.050 0.000 . 2 . . . A 102 SER HB3 . 18966 1 1080 . 1 1 102 102 SER C C 13 174.608 0.000 . 1 . . . A 102 SER C . 18966 1 1081 . 1 1 102 102 SER CA C 13 58.692 0.000 . 1 . . . A 102 SER CA . 18966 1 1082 . 1 1 102 102 SER CB C 13 63.777 0.000 . 1 . . . A 102 SER CB . 18966 1 1083 . 1 1 103 103 ASP H H 1 7.345 0.000 . 1 . . . A 103 ASP H . 18966 1 1084 . 1 1 103 103 ASP HA H 1 4.375 0.000 . 1 . . . A 103 ASP HA . 18966 1 1085 . 1 1 103 103 ASP HB2 H 1 2.715 0.000 . 2 . . . A 103 ASP HB2 . 18966 1 1086 . 1 1 103 103 ASP HB3 H 1 3.613 0.000 . 2 . . . A 103 ASP HB3 . 18966 1 1087 . 1 1 103 103 ASP C C 13 177.163 0.000 . 1 . . . A 103 ASP C . 18966 1 1088 . 1 1 103 103 ASP CA C 13 55.228 0.000 . 1 . . . A 103 ASP CA . 18966 1 1089 . 1 1 103 103 ASP CB C 13 41.152 0.000 . 1 . . . A 103 ASP CB . 18966 1 1090 . 1 1 103 103 ASP N N 15 120.368 0.000 . 1 . . . A 103 ASP N . 18966 1 1091 . 1 1 104 104 GLY H H 1 8.480 0.000 . 1 . . . A 104 GLY H . 18966 1 1092 . 1 1 104 104 GLY HA2 H 1 3.837 0.000 . 2 . . . A 104 GLY HA2 . 18966 1 1093 . 1 1 104 104 GLY HA3 H 1 4.009 0.000 . 2 . . . A 104 GLY HA3 . 18966 1 1094 . 1 1 104 104 GLY C C 13 174.420 0.000 . 1 . . . A 104 GLY C . 18966 1 1095 . 1 1 104 104 GLY CA C 13 46.163 0.000 . 1 . . . A 104 GLY CA . 18966 1 1096 . 1 1 104 104 GLY N N 15 108.319 0.000 . 1 . . . A 104 GLY N . 18966 1 1097 . 1 1 105 105 LEU H H 1 7.764 0.000 . 1 . . . A 105 LEU H . 18966 1 1098 . 1 1 105 105 LEU HA H 1 4.571 0.000 . 1 . . . A 105 LEU HA . 18966 1 1099 . 1 1 105 105 LEU HB2 H 1 1.699 0.000 . 2 . . . A 105 LEU HB2 . 18966 1 1100 . 1 1 105 105 LEU HB3 H 1 1.699 0.000 . 2 . . . A 105 LEU HB3 . 18966 1 1101 . 1 1 105 105 LEU HG H 1 1.460 0.000 . 1 . . . A 105 LEU HG . 18966 1 1102 . 1 1 105 105 LEU HD11 H 1 0.761 0.000 . 2 . . . A 105 LEU HD11 . 18966 1 1103 . 1 1 105 105 LEU HD12 H 1 0.761 0.000 . 2 . . . A 105 LEU HD12 . 18966 1 1104 . 1 1 105 105 LEU HD13 H 1 0.761 0.000 . 2 . . . A 105 LEU HD13 . 18966 1 1105 . 1 1 105 105 LEU HD21 H 1 0.839 0.000 . 2 . . . A 105 LEU HD21 . 18966 1 1106 . 1 1 105 105 LEU HD22 H 1 0.839 0.000 . 2 . . . A 105 LEU HD22 . 18966 1 1107 . 1 1 105 105 LEU HD23 H 1 0.839 0.000 . 2 . . . A 105 LEU HD23 . 18966 1 1108 . 1 1 105 105 LEU C C 13 176.582 0.000 . 1 . . . A 105 LEU C . 18966 1 1109 . 1 1 105 105 LEU CA C 13 54.344 0.000 . 1 . . . A 105 LEU CA . 18966 1 1110 . 1 1 105 105 LEU CB C 13 43.879 0.000 . 1 . . . A 105 LEU CB . 18966 1 1111 . 1 1 105 105 LEU CG C 13 27.034 0.000 . 1 . . . A 105 LEU CG . 18966 1 1112 . 1 1 105 105 LEU CD1 C 13 24.975 0.000 . 1 . . . A 105 LEU CD1 . 18966 1 1113 . 1 1 105 105 LEU CD2 C 13 22.567 0.000 . 1 . . . A 105 LEU CD2 . 18966 1 1114 . 1 1 105 105 LEU N N 15 120.101 0.000 . 1 . . . A 105 LEU N . 18966 1 1115 . 1 1 106 106 ASP H H 1 8.214 0.000 . 1 . . . A 106 ASP H . 18966 1 1116 . 1 1 106 106 ASP HA H 1 4.686 0.000 . 1 . . . A 106 ASP HA . 18966 1 1117 . 1 1 106 106 ASP HB2 H 1 2.730 0.000 . 2 . . . A 106 ASP HB2 . 18966 1 1118 . 1 1 106 106 ASP HB3 H 1 2.966 0.000 . 2 . . . A 106 ASP HB3 . 18966 1 1119 . 1 1 106 106 ASP C C 13 174.460 0.000 . 1 . . . A 106 ASP C . 18966 1 1120 . 1 1 106 106 ASP CA C 13 53.901 0.000 . 1 . . . A 106 ASP CA . 18966 1 1121 . 1 1 106 106 ASP CB C 13 40.710 0.000 . 1 . . . A 106 ASP CB . 18966 1 1122 . 1 1 106 106 ASP N N 15 114.614 0.000 . 1 . . . A 106 ASP N . 18966 1 1123 . 1 1 107 107 TYR H H 1 7.155 0.000 . 1 . . . A 107 TYR H . 18966 1 1124 . 1 1 107 107 TYR HA H 1 5.043 0.000 . 1 . . . A 107 TYR HA . 18966 1 1125 . 1 1 107 107 TYR HB2 H 1 2.975 0.000 . 2 . . . A 107 TYR HB2 . 18966 1 1126 . 1 1 107 107 TYR HB3 H 1 3.089 0.000 . 2 . . . A 107 TYR HB3 . 18966 1 1127 . 1 1 107 107 TYR HD1 H 1 7.078 0.000 . 3 . . . A 107 TYR HD1 . 18966 1 1128 . 1 1 107 107 TYR HD2 H 1 7.078 0.000 . 3 . . . A 107 TYR HD2 . 18966 1 1129 . 1 1 107 107 TYR HE1 H 1 7.330 0.000 . 3 . . . A 107 TYR HE1 . 18966 1 1130 . 1 1 107 107 TYR HE2 H 1 7.330 0.000 . 3 . . . A 107 TYR HE2 . 18966 1 1131 . 1 1 107 107 TYR C C 13 174.620 0.000 . 1 . . . A 107 TYR C . 18966 1 1132 . 1 1 107 107 TYR CA C 13 55.597 0.000 . 1 . . . A 107 TYR CA . 18966 1 1133 . 1 1 107 107 TYR CB C 13 40.341 0.000 . 1 . . . A 107 TYR CB . 18966 1 1134 . 1 1 107 107 TYR CD1 C 13 132.200 0.000 . 3 . . . A 107 TYR CD1 . 18966 1 1135 . 1 1 107 107 TYR CD2 C 13 132.200 0.000 . 3 . . . A 107 TYR CD2 . 18966 1 1136 . 1 1 107 107 TYR CE1 C 13 130.583 0.000 . 3 . . . A 107 TYR CE1 . 18966 1 1137 . 1 1 107 107 TYR CE2 C 13 130.583 0.000 . 3 . . . A 107 TYR CE2 . 18966 1 1138 . 1 1 107 107 TYR N N 15 115.141 0.000 . 1 . . . A 107 TYR N . 18966 1 1139 . 1 1 108 108 PHE H H 1 9.042 0.000 . 1 . . . A 108 PHE H . 18966 1 1140 . 1 1 108 108 PHE HA H 1 5.369 0.000 . 1 . . . A 108 PHE HA . 18966 1 1141 . 1 1 108 108 PHE HB2 H 1 3.057 0.000 . 2 . . . A 108 PHE HB2 . 18966 1 1142 . 1 1 108 108 PHE HB3 H 1 3.285 0.000 . 2 . . . A 108 PHE HB3 . 18966 1 1143 . 1 1 108 108 PHE HD1 H 1 7.355 0.000 . 3 . . . A 108 PHE HD1 . 18966 1 1144 . 1 1 108 108 PHE HD2 H 1 7.355 0.000 . 3 . . . A 108 PHE HD2 . 18966 1 1145 . 1 1 108 108 PHE C C 13 174.020 0.000 . 1 . . . A 108 PHE C . 18966 1 1146 . 1 1 108 108 PHE CA C 13 55.744 0.000 . 1 . . . A 108 PHE CA . 18966 1 1147 . 1 1 108 108 PHE CB C 13 43.658 0.000 . 1 . . . A 108 PHE CB . 18966 1 1148 . 1 1 108 108 PHE N N 15 120.463 0.000 . 1 . . . A 108 PHE N . 18966 1 1149 . 1 1 109 109 LYS H H 1 8.545 0.000 . 1 . . . A 109 LYS H . 18966 1 1150 . 1 1 109 109 LYS HA H 1 4.751 0.000 . 1 . . . A 109 LYS HA . 18966 1 1151 . 1 1 109 109 LYS HB2 H 1 1.671 0.000 . 2 . . . A 109 LYS HB2 . 18966 1 1152 . 1 1 109 109 LYS HB3 H 1 1.671 0.000 . 2 . . . A 109 LYS HB3 . 18966 1 1153 . 1 1 109 109 LYS HG2 H 1 1.412 0.000 . 2 . . . A 109 LYS HG2 . 18966 1 1154 . 1 1 109 109 LYS HG3 H 1 1.412 0.000 . 2 . . . A 109 LYS HG3 . 18966 1 1155 . 1 1 109 109 LYS HD2 H 1 1.671 0.000 . 2 . . . A 109 LYS HD2 . 18966 1 1156 . 1 1 109 109 LYS HD3 H 1 1.671 0.000 . 2 . . . A 109 LYS HD3 . 18966 1 1157 . 1 1 109 109 LYS HE2 H 1 2.999 0.000 . 2 . . . A 109 LYS HE2 . 18966 1 1158 . 1 1 109 109 LYS HE3 H 1 2.999 0.000 . 2 . . . A 109 LYS HE3 . 18966 1 1159 . 1 1 109 109 LYS C C 13 177.864 0.000 . 1 . . . A 109 LYS C . 18966 1 1160 . 1 1 109 109 LYS CA C 13 55.891 0.000 . 1 . . . A 109 LYS CA . 18966 1 1161 . 1 1 109 109 LYS CB C 13 35.846 0.000 . 1 . . . A 109 LYS CB . 18966 1 1162 . 1 1 109 109 LYS CG C 13 24.702 0.000 . 1 . . . A 109 LYS CG . 18966 1 1163 . 1 1 109 109 LYS CD C 13 29.162 0.000 . 1 . . . A 109 LYS CD . 18966 1 1164 . 1 1 109 109 LYS CE C 13 41.543 0.000 . 1 . . . A 109 LYS CE . 18966 1 1165 . 1 1 109 109 LYS N N 15 119.375 0.000 . 1 . . . A 109 LYS N . 18966 1 1166 . 1 1 112 112 ASP HA H 1 4.190 0.000 . 1 . . . A 112 ASP HA . 18966 1 1167 . 1 1 112 112 ASP HB2 H 1 2.731 0.000 . 2 . . . A 112 ASP HB2 . 18966 1 1168 . 1 1 112 112 ASP HB3 H 1 2.861 0.000 . 2 . . . A 112 ASP HB3 . 18966 1 1169 . 1 1 112 112 ASP C C 13 178.097 0.000 . 1 . . . A 112 ASP C . 18966 1 1170 . 1 1 112 112 ASP CA C 13 55.121 0.000 . 1 . . . A 112 ASP CA . 18966 1 1171 . 1 1 112 112 ASP CB C 13 43.670 0.000 . 1 . . . A 112 ASP CB . 18966 1 1172 . 1 1 113 113 LYS H H 1 8.648 0.000 . 1 . . . A 113 LYS H . 18966 1 1173 . 1 1 113 113 LYS HA H 1 4.732 0.000 . 1 . . . A 113 LYS HA . 18966 1 1174 . 1 1 113 113 LYS HB2 H 1 1.738 0.000 . 2 . . . A 113 LYS HB2 . 18966 1 1175 . 1 1 113 113 LYS HB3 H 1 1.618 0.000 . 2 . . . A 113 LYS HB3 . 18966 1 1176 . 1 1 113 113 LYS HG2 H 1 1.395 0.000 . 2 . . . A 113 LYS HG2 . 18966 1 1177 . 1 1 113 113 LYS HG3 H 1 1.395 0.000 . 2 . . . A 113 LYS HG3 . 18966 1 1178 . 1 1 113 113 LYS HD2 H 1 1.699 0.000 . 2 . . . A 113 LYS HD2 . 18966 1 1179 . 1 1 113 113 LYS HD3 H 1 1.699 0.000 . 2 . . . A 113 LYS HD3 . 18966 1 1180 . 1 1 113 113 LYS HE2 H 1 3.024 0.000 . 2 . . . A 113 LYS HE2 . 18966 1 1181 . 1 1 113 113 LYS HE3 H 1 3.024 0.000 . 2 . . . A 113 LYS HE3 . 18966 1 1182 . 1 1 113 113 LYS C C 13 174.780 0.000 . 1 . . . A 113 LYS C . 18966 1 1183 . 1 1 113 113 LYS CA C 13 55.375 0.000 . 1 . . . A 113 LYS CA . 18966 1 1184 . 1 1 113 113 LYS CB C 13 36.509 0.000 . 1 . . . A 113 LYS CB . 18966 1 1185 . 1 1 113 113 LYS CG C 13 24.884 0.000 . 1 . . . A 113 LYS CG . 18966 1 1186 . 1 1 113 113 LYS CD C 13 29.071 0.000 . 1 . . . A 113 LYS CD . 18966 1 1187 . 1 1 113 113 LYS CE C 13 41.479 0.000 . 1 . . . A 113 LYS CE . 18966 1 1188 . 1 1 113 113 LYS N N 15 119.219 0.000 . 1 . . . A 113 LYS N . 18966 1 1189 . 1 1 114 114 ASP H H 1 9.014 0.000 . 1 . . . A 114 ASP H . 18966 1 1190 . 1 1 114 114 ASP HA H 1 4.381 0.000 . 1 . . . A 114 ASP HA . 18966 1 1191 . 1 1 114 114 ASP HB2 H 1 2.684 0.000 . 2 . . . A 114 ASP HB2 . 18966 1 1192 . 1 1 114 114 ASP HB3 H 1 3.127 0.000 . 2 . . . A 114 ASP HB3 . 18966 1 1193 . 1 1 114 114 ASP C C 13 176.342 0.000 . 1 . . . A 114 ASP C . 18966 1 1194 . 1 1 114 114 ASP CA C 13 55.375 0.000 . 1 . . . A 114 ASP CA . 18966 1 1195 . 1 1 114 114 ASP CB C 13 39.383 0.000 . 1 . . . A 114 ASP CB . 18966 1 1196 . 1 1 114 114 ASP N N 15 121.099 0.000 . 1 . . . A 114 ASP N . 18966 1 1197 . 1 1 115 115 CYS H H 1 8.842 0.000 . 1 . . . A 115 CYS H . 18966 1 1198 . 1 1 115 115 CYS HA H 1 5.698 0.000 . 1 . . . A 115 CYS HA . 18966 1 1199 . 1 1 115 115 CYS HB2 H 1 2.633 0.000 . 2 . . . A 115 CYS HB2 . 18966 1 1200 . 1 1 115 115 CYS HB3 H 1 3.059 0.000 . 2 . . . A 115 CYS HB3 . 18966 1 1201 . 1 1 115 115 CYS C C 13 174.820 0.000 . 1 . . . A 115 CYS C . 18966 1 1202 . 1 1 115 115 CYS CA C 13 55.744 0.000 . 1 . . . A 115 CYS CA . 18966 1 1203 . 1 1 115 115 CYS CB C 13 46.532 0.000 . 1 . . . A 115 CYS CB . 18966 1 1204 . 1 1 115 115 CYS N N 15 118.861 0.000 . 1 . . . A 115 CYS N . 18966 1 1205 . 1 1 116 116 LYS H H 1 9.106 0.000 . 1 . . . A 116 LYS H . 18966 1 1206 . 1 1 116 116 LYS HA H 1 4.854 0.000 . 1 . . . A 116 LYS HA . 18966 1 1207 . 1 1 116 116 LYS HB2 H 1 1.811 0.000 . 2 . . . A 116 LYS HB2 . 18966 1 1208 . 1 1 116 116 LYS HB3 H 1 1.966 0.000 . 2 . . . A 116 LYS HB3 . 18966 1 1209 . 1 1 116 116 LYS HG2 H 1 1.543 0.000 . 2 . . . A 116 LYS HG2 . 18966 1 1210 . 1 1 116 116 LYS HG3 H 1 1.543 0.000 . 2 . . . A 116 LYS HG3 . 18966 1 1211 . 1 1 116 116 LYS HD2 H 1 1.803 0.000 . 2 . . . A 116 LYS HD2 . 18966 1 1212 . 1 1 116 116 LYS HD3 H 1 1.803 0.000 . 2 . . . A 116 LYS HD3 . 18966 1 1213 . 1 1 116 116 LYS HE2 H 1 3.040 0.000 . 2 . . . A 116 LYS HE2 . 18966 1 1214 . 1 1 116 116 LYS HE3 H 1 3.042 0.000 . 2 . . . A 116 LYS HE3 . 18966 1 1215 . 1 1 116 116 LYS C C 13 175.561 0.000 . 1 . . . A 116 LYS C . 18966 1 1216 . 1 1 116 116 LYS CA C 13 54.565 0.000 . 1 . . . A 116 LYS CA . 18966 1 1217 . 1 1 116 116 LYS CB C 13 37.172 0.000 . 1 . . . A 116 LYS CB . 18966 1 1218 . 1 1 116 116 LYS CG C 13 24.429 0.000 . 1 . . . A 116 LYS CG . 18966 1 1219 . 1 1 116 116 LYS CD C 13 28.889 0.000 . 1 . . . A 116 LYS CD . 18966 1 1220 . 1 1 116 116 LYS CE C 13 41.998 0.000 . 1 . . . A 116 LYS CE . 18966 1 1221 . 1 1 116 116 LYS N N 15 122.107 0.000 . 1 . . . A 116 LYS N . 18966 1 1222 . 1 1 117 117 LEU H H 1 8.635 0.000 . 1 . . . A 117 LEU H . 18966 1 1223 . 1 1 117 117 LEU HA H 1 4.115 0.000 . 1 . . . A 117 LEU HA . 18966 1 1224 . 1 1 117 117 LEU HB2 H 1 1.461 0.000 . 2 . . . A 117 LEU HB2 . 18966 1 1225 . 1 1 117 117 LEU HB3 H 1 1.589 0.000 . 2 . . . A 117 LEU HB3 . 18966 1 1226 . 1 1 117 117 LEU HG H 1 1.406 0.000 . 1 . . . A 117 LEU HG . 18966 1 1227 . 1 1 117 117 LEU HD11 H 1 0.760 0.000 . 2 . . . A 117 LEU HD11 . 18966 1 1228 . 1 1 117 117 LEU HD12 H 1 0.760 0.000 . 2 . . . A 117 LEU HD12 . 18966 1 1229 . 1 1 117 117 LEU HD13 H 1 0.760 0.000 . 2 . . . A 117 LEU HD13 . 18966 1 1230 . 1 1 117 117 LEU HD21 H 1 0.629 0.000 . 2 . . . A 117 LEU HD21 . 18966 1 1231 . 1 1 117 117 LEU HD22 H 1 0.629 0.000 . 2 . . . A 117 LEU HD22 . 18966 1 1232 . 1 1 117 117 LEU HD23 H 1 0.629 0.000 . 2 . . . A 117 LEU HD23 . 18966 1 1233 . 1 1 117 117 LEU C C 13 176.622 0.000 . 1 . . . A 117 LEU C . 18966 1 1234 . 1 1 117 117 LEU CA C 13 56.923 0.000 . 1 . . . A 117 LEU CA . 18966 1 1235 . 1 1 117 117 LEU CB C 13 42.847 0.000 . 1 . . . A 117 LEU CB . 18966 1 1236 . 1 1 117 117 LEU CG C 13 27.160 0.000 . 1 . . . A 117 LEU CG . 18966 1 1237 . 1 1 117 117 LEU CD1 C 13 24.937 0.000 . 1 . . . A 117 LEU CD1 . 18966 1 1238 . 1 1 117 117 LEU CD2 C 13 24.937 0.000 . 1 . . . A 117 LEU CD2 . 18966 1 1239 . 1 1 117 117 LEU N N 15 124.165 0.000 . 1 . . . A 117 LEU N . 18966 1 1240 . 1 1 118 118 PHE H H 1 8.764 0.000 . 1 . . . A 118 PHE H . 18966 1 1241 . 1 1 118 118 PHE HA H 1 4.631 0.000 . 1 . . . A 118 PHE HA . 18966 1 1242 . 1 1 118 118 PHE HB2 H 1 2.617 0.000 . 2 . . . A 118 PHE HB2 . 18966 1 1243 . 1 1 118 118 PHE HB3 H 1 2.731 0.000 . 2 . . . A 118 PHE HB3 . 18966 1 1244 . 1 1 118 118 PHE HD1 H 1 7.013 0.000 . 3 . . . A 118 PHE HD1 . 18966 1 1245 . 1 1 118 118 PHE HD2 H 1 7.013 0.000 . 3 . . . A 118 PHE HD2 . 18966 1 1246 . 1 1 118 118 PHE C C 13 173.078 0.000 . 1 . . . A 118 PHE C . 18966 1 1247 . 1 1 118 118 PHE CA C 13 57.807 0.000 . 1 . . . A 118 PHE CA . 18966 1 1248 . 1 1 118 118 PHE CB C 13 40.931 0.000 . 1 . . . A 118 PHE CB . 18966 1 1249 . 1 1 118 118 PHE CD1 C 13 131.677 0.000 . 3 . . . A 118 PHE CD1 . 18966 1 1250 . 1 1 118 118 PHE CD2 C 13 131.677 0.000 . 3 . . . A 118 PHE CD2 . 18966 1 1251 . 1 1 118 118 PHE N N 15 127.062 0.000 . 1 . . . A 118 PHE N . 18966 1 1252 . 1 1 119 119 LYS H H 1 7.324 0.000 . 1 . . . A 119 LYS H . 18966 1 1253 . 1 1 119 119 LYS HA H 1 3.831 0.000 . 1 . . . A 119 LYS HA . 18966 1 1254 . 1 1 119 119 LYS HB2 H 1 1.520 0.000 . 2 . . . A 119 LYS HB2 . 18966 1 1255 . 1 1 119 119 LYS HB3 H 1 1.624 0.000 . 2 . . . A 119 LYS HB3 . 18966 1 1256 . 1 1 119 119 LYS HG2 H 1 1.185 0.000 . 2 . . . A 119 LYS HG2 . 18966 1 1257 . 1 1 119 119 LYS HG3 H 1 1.185 0.000 . 2 . . . A 119 LYS HG3 . 18966 1 1258 . 1 1 119 119 LYS HD2 H 1 1.559 0.000 . 2 . . . A 119 LYS HD2 . 18966 1 1259 . 1 1 119 119 LYS HD3 H 1 1.559 0.000 . 2 . . . A 119 LYS HD3 . 18966 1 1260 . 1 1 119 119 LYS HE2 H 1 2.878 0.000 . 2 . . . A 119 LYS HE2 . 18966 1 1261 . 1 1 119 119 LYS HE3 H 1 2.878 0.000 . 2 . . . A 119 LYS HE3 . 18966 1 1262 . 1 1 119 119 LYS C C 13 179.806 0.000 . 1 . . . A 119 LYS C . 18966 1 1263 . 1 1 119 119 LYS CA C 13 58.029 0.000 . 1 . . . A 119 LYS CA . 18966 1 1264 . 1 1 119 119 LYS CB C 13 34.372 0.000 . 1 . . . A 119 LYS CB . 18966 1 1265 . 1 1 119 119 LYS CG C 13 24.520 0.000 . 1 . . . A 119 LYS CG . 18966 1 1266 . 1 1 119 119 LYS CD C 13 29.162 0.000 . 1 . . . A 119 LYS CD . 18966 1 1267 . 1 1 119 119 LYS CE C 13 41.907 0.000 . 1 . . . A 119 LYS CE . 18966 1 1268 . 1 1 119 119 LYS N N 15 130.601 0.000 . 1 . . . A 119 LYS N . 18966 1 stop_ save_