data_19632 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19632 _Entry.Title ; NMR structure of protein NP_254181.1 from Pseudomonas aeruginosa PA01 ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-11-22 _Entry.Accession_date 2013-11-22 _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 NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samit Dutta . K. . 19632 2 Pedro Serrano . . . 19632 3 Michael Geralt . . . 19632 4 Kurt Wuthrich . . . 19632 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 19632 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'human gut microbiome secreted protein' . 19632 'Protein dimer' . 19632 'Protein of unknown function' . 19632 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19632 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 241 19632 '15N chemical shifts' 73 19632 '1H chemical shifts' 514 19632 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 . . 2014-01-03 2013-11-22 update author 'update chemical shifts' 19632 1 . . 2013-12-20 2013-11-22 original author 'original release' 19632 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2MHG 'BMRB Entry Tracking System' 19632 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19632 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of protein NP_254181.1 from Pseudomonas aeruginosa PA01' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 19632 1 2 Pedro Serrano . . . 19632 1 3 Michael Geralt . . . 19632 1 4 Kurt Wuthrich . . . 19632 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19632 _Assembly.ID 1 _Assembly.Name 'hypothetical protein BACUNI_03114 from Bacteroides uniformis ATCC 8492' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _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 'hypothetical protein BACUNI_03114 from Bacteroides uniformis ATCC 8492' 1 $entity A . yes native no no . . . 19632 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 19632 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GADDDAPSGEPDVTIRQEGD KTIQEYRVNGFLYAIKVVPK HGKPYFLVRADGSDGNFIRS DQPDKLIPQWEIFSW ; _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 75 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7154.342 _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 2MHG . "Nmr Structure Of Protein Np_254181.1 From Pseudomonas Aeruginosa Pa01" . . . . . 100.00 75 100.00 100.00 1.81e-46 . . . . 19632 1 2 no DBJ BAK93077 . "hypothetical protein NCGM2_6273 [Pseudomonas aeruginosa NCGM2.S1]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 3 no DBJ BAP25407 . "hypothetical protein NCGM1900_6353 [Pseudomonas aeruginosa]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 4 no DBJ BAP54205 . "hypothetical protein NCGM1984_6279 [Pseudomonas aeruginosa]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 5 no DBJ BAQ43445 . "hypothetical protein PA257_6895 [Pseudomonas aeruginosa]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 6 no DBJ BAR70992 . "hypothetical protein PA8380_62080 [Pseudomonas aeruginosa]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 7 no EMBL CAW30644 . "hypothetical protein PLES_58901 [Pseudomonas aeruginosa LESB58]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 8 no EMBL CCQ84532 . "hypothetical protein PA18A_1115 [Pseudomonas aeruginosa 18A]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 9 no EMBL CDH74259 . "putative secreted protein [Pseudomonas aeruginosa MH38]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 10 no EMBL CDH80608 . "putative secreted protein [Pseudomonas aeruginosa MH27]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 11 no EMBL CDI94117 . "hypothetical protein BN889_06104 [Pseudomonas aeruginosa PA38182]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 12 no GB AAG08879 . "hypothetical protein PA5494 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 13 no GB AAT49351 . "PA5494, partial [synthetic construct]" . . . . . 100.00 97 98.67 98.67 1.72e-46 . . . . 19632 1 14 no GB ABJ14880 . "conserved hypothetical protein [Pseudomonas aeruginosa UCBPP-PA14]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 15 no GB ABR84127 . "hypothetical protein PSPA7_6295 [Pseudomonas aeruginosa PA7]" . . . . . 100.00 96 98.67 98.67 1.06e-46 . . . . 19632 1 16 no GB AEO78092 . "hypothetical protein PAM18_5615 [Pseudomonas aeruginosa M18]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 17 no REF NP_254181 . "hypothetical protein PA5494 [Pseudomonas aeruginosa PAO1]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 18 no REF WP_003096984 . "MULTISPECIES: hypothetical protein [Pseudomonas]" . . . . . 100.00 96 98.67 98.67 1.30e-46 . . . . 19632 1 19 no REF WP_003155462 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 100.00 96 98.67 98.67 1.06e-46 . . . . 19632 1 20 no REF WP_003161101 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 100.00 96 97.33 98.67 3.61e-46 . . . . 19632 1 21 no REF WP_017002432 . "hypothetical protein [Pseudomonas aeruginosa]" . . . . . 100.00 96 97.33 98.67 4.16e-46 . . . . 19632 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 19632 1 2 . ALA . 19632 1 3 . ASP . 19632 1 4 . ASP . 19632 1 5 . ASP . 19632 1 6 . ALA . 19632 1 7 . PRO . 19632 1 8 . SER . 19632 1 9 . GLY . 19632 1 10 . GLU . 19632 1 11 . PRO . 19632 1 12 . ASP . 19632 1 13 . VAL . 19632 1 14 . THR . 19632 1 15 . ILE . 19632 1 16 . ARG . 19632 1 17 . GLN . 19632 1 18 . GLU . 19632 1 19 . GLY . 19632 1 20 . ASP . 19632 1 21 . LYS . 19632 1 22 . THR . 19632 1 23 . ILE . 19632 1 24 . GLN . 19632 1 25 . GLU . 19632 1 26 . TYR . 19632 1 27 . ARG . 19632 1 28 . VAL . 19632 1 29 . ASN . 19632 1 30 . GLY . 19632 1 31 . PHE . 19632 1 32 . LEU . 19632 1 33 . TYR . 19632 1 34 . ALA . 19632 1 35 . ILE . 19632 1 36 . LYS . 19632 1 37 . VAL . 19632 1 38 . VAL . 19632 1 39 . PRO . 19632 1 40 . LYS . 19632 1 41 . HIS . 19632 1 42 . GLY . 19632 1 43 . LYS . 19632 1 44 . PRO . 19632 1 45 . TYR . 19632 1 46 . PHE . 19632 1 47 . LEU . 19632 1 48 . VAL . 19632 1 49 . ARG . 19632 1 50 . ALA . 19632 1 51 . ASP . 19632 1 52 . GLY . 19632 1 53 . SER . 19632 1 54 . ASP . 19632 1 55 . GLY . 19632 1 56 . ASN . 19632 1 57 . PHE . 19632 1 58 . ILE . 19632 1 59 . ARG . 19632 1 60 . SER . 19632 1 61 . ASP . 19632 1 62 . GLN . 19632 1 63 . PRO . 19632 1 64 . ASP . 19632 1 65 . LYS . 19632 1 66 . LEU . 19632 1 67 . ILE . 19632 1 68 . PRO . 19632 1 69 . GLN . 19632 1 70 . TRP . 19632 1 71 . GLU . 19632 1 72 . ILE . 19632 1 73 . PHE . 19632 1 74 . SER . 19632 1 75 . TRP . 19632 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 19632 1 . ALA 2 2 19632 1 . ASP 3 3 19632 1 . ASP 4 4 19632 1 . ASP 5 5 19632 1 . ALA 6 6 19632 1 . PRO 7 7 19632 1 . SER 8 8 19632 1 . GLY 9 9 19632 1 . GLU 10 10 19632 1 . PRO 11 11 19632 1 . ASP 12 12 19632 1 . VAL 13 13 19632 1 . THR 14 14 19632 1 . ILE 15 15 19632 1 . ARG 16 16 19632 1 . GLN 17 17 19632 1 . GLU 18 18 19632 1 . GLY 19 19 19632 1 . ASP 20 20 19632 1 . LYS 21 21 19632 1 . THR 22 22 19632 1 . ILE 23 23 19632 1 . GLN 24 24 19632 1 . GLU 25 25 19632 1 . TYR 26 26 19632 1 . ARG 27 27 19632 1 . VAL 28 28 19632 1 . ASN 29 29 19632 1 . GLY 30 30 19632 1 . PHE 31 31 19632 1 . LEU 32 32 19632 1 . TYR 33 33 19632 1 . ALA 34 34 19632 1 . ILE 35 35 19632 1 . LYS 36 36 19632 1 . VAL 37 37 19632 1 . VAL 38 38 19632 1 . PRO 39 39 19632 1 . LYS 40 40 19632 1 . HIS 41 41 19632 1 . GLY 42 42 19632 1 . LYS 43 43 19632 1 . PRO 44 44 19632 1 . TYR 45 45 19632 1 . PHE 46 46 19632 1 . LEU 47 47 19632 1 . VAL 48 48 19632 1 . ARG 49 49 19632 1 . ALA 50 50 19632 1 . ASP 51 51 19632 1 . GLY 52 52 19632 1 . SER 53 53 19632 1 . ASP 54 54 19632 1 . GLY 55 55 19632 1 . ASN 56 56 19632 1 . PHE 57 57 19632 1 . ILE 58 58 19632 1 . ARG 59 59 19632 1 . SER 60 60 19632 1 . ASP 61 61 19632 1 . GLN 62 62 19632 1 . PRO 63 63 19632 1 . ASP 64 64 19632 1 . LYS 65 65 19632 1 . LEU 66 66 19632 1 . ILE 67 67 19632 1 . PRO 68 68 19632 1 . GLN 69 69 19632 1 . TRP 70 70 19632 1 . GLU 71 71 19632 1 . ILE 72 72 19632 1 . PHE 73 73 19632 1 . SER 74 74 19632 1 . TRP 75 75 19632 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 19632 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 287 organism . 'Pseudomonas aeruginosa' 'Pseudomonas aeruginosa' . . Bacteria . Pseudomonas aeruginosa . . . . . . . . . . . . . . . . . . . . . 19632 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 19632 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21 . . . . . . . . . . . . . . . SpeedET . . . . . . 19632 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19632 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 19632 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19632 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19632 1 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19632 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19632 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-99% 13C; U-98% 15N]' . . 1 $entity . . 0.6 . . mM . . . . 19632 2 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 19632 2 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 19632 2 4 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 19632 2 5 entity '[U-15N; U-2H]' . . . . . . 0.6 . . mM . . . . 19632 2 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 19632 _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' 0.0798 . M 19632 1 pH 6.0 . pH 19632 1 pressure 1 . atm 19632 1 temperature 298 . K 19632 1 stop_ save_ ############################ # Computer software used # ############################ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19632 _Software.ID 1 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 19632 1 'Brunger A. T. et.al.' . . 19632 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19632 1 processing 19632 1 refinement 19632 1 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 19632 _Software.ID 2 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 19632 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19632 2 'data analysis' 19632 2 stop_ save_ save_j-UNIO _Software.Sf_category software _Software.Sf_framecode j-UNIO _Software.Entry_ID 19632 _Software.ID 3 _Software.Name j-UNIO _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Herrmann, Guntert and Wuthrich' . . 19632 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19632 3 'data analysis' 19632 3 'peak picking' 19632 3 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 19632 _Software.ID 4 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 19632 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 19632 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_mbavance601 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode mbavance601 _NMR_spectrometer.Entry_ID 19632 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_mbavance801 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode mbavance801 _NMR_spectrometer.Entry_ID 19632 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19632 _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 mbavance601 Bruker Avance . 600 . . . 19632 1 2 mbavance801 Bruker Avance . 800 . . . 19632 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 19632 _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 'APSY 4D-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 19632 1 2 'APSY 5D-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 19632 1 3 'APSY 5D-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 19632 1 4 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $mbavance601 . . . . . . . . . . . . . . . . 19632 1 5 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 19632 1 6 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 19632 1 7 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 19632 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 2 $mbavance801 . . . . . . . . . . . . . . . . 19632 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 19632 _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 . . . . . . . . . 19632 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 19632 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 19632 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 19632 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err 0.006 _Assigned_chem_shift_list.Chem_shift_13C_err 0.129 _Assigned_chem_shift_list.Chem_shift_15N_err 0.129 _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 'APSY 4D-HACANH' . . . 19632 1 2 'APSY 5D-HACACONH' . . . 19632 1 3 'APSY 5D-CBCACONH' . . . 19632 1 5 '3D 1H-15N NOESY' . . . 19632 1 6 '3D 1H-13C NOESY aliphatic' . . . 19632 1 7 '3D 1H-13C NOESY aromatic' . . . 19632 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.844 0.006 . 2 . . . A 1 GLY HA2 . 19632 1 2 . 1 1 1 1 GLY HA3 H 1 3.879 0.006 . 2 . . . A 1 GLY HA3 . 19632 1 3 . 1 1 1 1 GLY CA C 13 43.902 0.129 . 1 . . . A 1 GLY CA . 19632 1 4 . 1 1 2 2 ALA HA H 1 4.290 0.006 . 1 . . . A 2 ALA HA . 19632 1 5 . 1 1 2 2 ALA HB1 H 1 1.386 0.006 . 1 . . . A 2 ALA QB . 19632 1 6 . 1 1 2 2 ALA HB2 H 1 1.386 0.006 . 1 . . . A 2 ALA QB . 19632 1 7 . 1 1 2 2 ALA HB3 H 1 1.386 0.006 . 1 . . . A 2 ALA QB . 19632 1 8 . 1 1 2 2 ALA CA C 13 53.589 0.129 . 1 . . . A 2 ALA CA . 19632 1 9 . 1 1 2 2 ALA CB C 13 19.556 0.129 . 1 . . . A 2 ALA CB . 19632 1 10 . 1 1 5 5 ASP H H 1 8.372 0.006 . 1 . . . A 5 ASP H . 19632 1 11 . 1 1 5 5 ASP HA H 1 4.622 0.006 . 1 . . . A 5 ASP HA . 19632 1 12 . 1 1 5 5 ASP HB2 H 1 2.722 0.006 . 2 . . . A 5 ASP HB2 . 19632 1 13 . 1 1 5 5 ASP HB3 H 1 2.636 0.006 . 2 . . . A 5 ASP HB3 . 19632 1 14 . 1 1 5 5 ASP CA C 13 54.508 0.129 . 1 . . . A 5 ASP CA . 19632 1 15 . 1 1 5 5 ASP CB C 13 41.375 0.129 . 1 . . . A 5 ASP CB . 19632 1 16 . 1 1 5 5 ASP N N 15 116.992 0.129 . 1 . . . A 5 ASP N . 19632 1 17 . 1 1 6 6 ALA H H 1 7.984 0.006 . 1 . . . A 6 ALA H . 19632 1 18 . 1 1 6 6 ALA HA H 1 4.582 0.006 . 1 . . . A 6 ALA HA . 19632 1 19 . 1 1 6 6 ALA HB1 H 1 1.352 0.006 . 1 . . . A 6 ALA QB . 19632 1 20 . 1 1 6 6 ALA HB2 H 1 1.352 0.006 . 1 . . . A 6 ALA QB . 19632 1 21 . 1 1 6 6 ALA HB3 H 1 1.352 0.006 . 1 . . . A 6 ALA QB . 19632 1 22 . 1 1 6 6 ALA CA C 13 48.068 0.129 . 1 . . . A 6 ALA CA . 19632 1 23 . 1 1 6 6 ALA CB C 13 18.765 0.129 . 1 . . . A 6 ALA CB . 19632 1 24 . 1 1 6 6 ALA N N 15 124.275 0.129 . 1 . . . A 6 ALA N . 19632 1 25 . 1 1 7 7 PRO HA H 1 4.486 0.006 . 1 . . . A 7 PRO HA . 19632 1 26 . 1 1 7 7 PRO HB2 H 1 2.301 0.006 . 2 . . . A 7 PRO HB2 . 19632 1 27 . 1 1 7 7 PRO HB3 H 1 1.948 0.006 . 2 . . . A 7 PRO HB3 . 19632 1 28 . 1 1 7 7 PRO HG2 H 1 2.031 0.006 . 1 . . . A 7 PRO QG . 19632 1 29 . 1 1 7 7 PRO HG3 H 1 2.031 0.006 . 1 . . . A 7 PRO QG . 19632 1 30 . 1 1 7 7 PRO HD2 H 1 3.633 0.006 . 2 . . . A 7 PRO HD2 . 19632 1 31 . 1 1 7 7 PRO HD3 H 1 3.778 0.006 . 2 . . . A 7 PRO HD3 . 19632 1 32 . 1 1 7 7 PRO CA C 13 63.406 0.129 . 1 . . . A 7 PRO CA . 19632 1 33 . 1 1 7 7 PRO CB C 13 32.491 0.129 . 1 . . . A 7 PRO CB . 19632 1 34 . 1 1 7 7 PRO CG C 13 27.899 0.129 . 1 . . . A 7 PRO CG . 19632 1 35 . 1 1 7 7 PRO CD C 13 50.802 0.129 . 1 . . . A 7 PRO CD . 19632 1 36 . 1 1 8 8 SER H H 1 8.424 0.006 . 1 . . . A 8 SER H . 19632 1 37 . 1 1 8 8 SER HA H 1 4.483 0.006 . 1 . . . A 8 SER HA . 19632 1 38 . 1 1 8 8 SER HB2 H 1 3.921 0.006 . 2 . . . A 8 SER HB2 . 19632 1 39 . 1 1 8 8 SER HB3 H 1 3.895 0.006 . 2 . . . A 8 SER HB3 . 19632 1 40 . 1 1 8 8 SER CA C 13 58.635 0.129 . 1 . . . A 8 SER CA . 19632 1 41 . 1 1 8 8 SER CB C 13 64.447 0.129 . 1 . . . A 8 SER CB . 19632 1 42 . 1 1 8 8 SER N N 15 115.947 0.129 . 1 . . . A 8 SER N . 19632 1 43 . 1 1 9 9 GLY H H 1 8.352 0.006 . 1 . . . A 9 GLY H . 19632 1 44 . 1 1 9 9 GLY HA2 H 1 3.894 0.006 . 2 . . . A 9 GLY HA2 . 19632 1 45 . 1 1 9 9 GLY HA3 H 1 3.839 0.006 . 2 . . . A 9 GLY HA3 . 19632 1 46 . 1 1 9 9 GLY CA C 13 45.804 0.129 . 1 . . . A 9 GLY CA . 19632 1 47 . 1 1 9 9 GLY N N 15 109.902 0.129 . 1 . . . A 9 GLY N . 19632 1 48 . 1 1 10 10 GLU H H 1 8.071 0.006 . 1 . . . A 10 GLU H . 19632 1 49 . 1 1 10 10 GLU HA H 1 4.808 0.006 . 1 . . . A 10 GLU HA . 19632 1 50 . 1 1 10 10 GLU HB2 H 1 1.861 0.006 . 2 . . . A 10 GLU HB2 . 19632 1 51 . 1 1 10 10 GLU HB3 H 1 2.023 0.006 . 2 . . . A 10 GLU HB3 . 19632 1 52 . 1 1 10 10 GLU HG2 H 1 2.225 0.006 . 1 . . . A 10 GLU QG . 19632 1 53 . 1 1 10 10 GLU HG3 H 1 2.225 0.006 . 1 . . . A 10 GLU QG . 19632 1 54 . 1 1 10 10 GLU CA C 13 53.481 0.129 . 1 . . . A 10 GLU CA . 19632 1 55 . 1 1 10 10 GLU CB C 13 30.956 0.129 . 1 . . . A 10 GLU CB . 19632 1 56 . 1 1 10 10 GLU CG C 13 35.974 0.129 . 1 . . . A 10 GLU CG . 19632 1 57 . 1 1 10 10 GLU N N 15 119.364 0.129 . 1 . . . A 10 GLU N . 19632 1 58 . 1 1 11 11 PRO HA H 1 5.012 0.006 . 1 . . . A 11 PRO HA . 19632 1 59 . 1 1 11 11 PRO HB2 H 1 2.122 0.006 . 2 . . . A 11 PRO HB2 . 19632 1 60 . 1 1 11 11 PRO HB3 H 1 2.592 0.006 . 2 . . . A 11 PRO HB3 . 19632 1 61 . 1 1 11 11 PRO HG2 H 1 1.979 0.006 . 2 . . . A 11 PRO HG2 . 19632 1 62 . 1 1 11 11 PRO HG3 H 1 2.409 0.006 . 2 . . . A 11 PRO HG3 . 19632 1 63 . 1 1 11 11 PRO HD2 H 1 3.958 0.006 . 2 . . . A 11 PRO HD2 . 19632 1 64 . 1 1 11 11 PRO HD3 H 1 3.779 0.006 . 2 . . . A 11 PRO HD3 . 19632 1 65 . 1 1 11 11 PRO CA C 13 63.350 0.129 . 1 . . . A 11 PRO CA . 19632 1 66 . 1 1 11 11 PRO CB C 13 34.176 0.129 . 1 . . . A 11 PRO CB . 19632 1 67 . 1 1 11 11 PRO CG C 13 29.249 0.129 . 1 . . . A 11 PRO CG . 19632 1 68 . 1 1 11 11 PRO CD C 13 51.126 0.129 . 1 . . . A 11 PRO CD . 19632 1 69 . 1 1 12 12 ASP H H 1 9.396 0.006 . 1 . . . A 12 ASP H . 19632 1 70 . 1 1 12 12 ASP HA H 1 5.030 0.006 . 1 . . . A 12 ASP HA . 19632 1 71 . 1 1 12 12 ASP HB2 H 1 2.578 0.006 . 1 . . . A 12 ASP HB2 . 19632 1 72 . 1 1 12 12 ASP HB3 H 1 2.648 0.006 . 2 . . . A 12 ASP HB3 . 19632 1 73 . 1 1 12 12 ASP CA C 13 53.249 0.129 . 1 . . . A 12 ASP CA . 19632 1 74 . 1 1 12 12 ASP CB C 13 45.006 0.129 . 1 . . . A 12 ASP CB . 19632 1 75 . 1 1 12 12 ASP N N 15 122.007 0.129 . 1 . . . A 12 ASP N . 19632 1 76 . 1 1 13 13 VAL H H 1 8.402 0.006 . 1 . . . A 13 VAL H . 19632 1 77 . 1 1 13 13 VAL HA H 1 5.090 0.006 . 1 . . . A 13 VAL HA . 19632 1 78 . 1 1 13 13 VAL HB H 1 1.609 0.006 . 1 . . . A 13 VAL HB . 19632 1 79 . 1 1 13 13 VAL HG11 H 1 0.519 0.006 . 2 . . . A 13 VAL QG1 . 19632 1 80 . 1 1 13 13 VAL HG12 H 1 0.519 0.006 . 2 . . . A 13 VAL QG1 . 19632 1 81 . 1 1 13 13 VAL HG13 H 1 0.519 0.006 . 2 . . . A 13 VAL QG1 . 19632 1 82 . 1 1 13 13 VAL HG21 H 1 0.340 0.006 . 2 . . . A 13 VAL QG2 . 19632 1 83 . 1 1 13 13 VAL HG22 H 1 0.340 0.006 . 2 . . . A 13 VAL QG2 . 19632 1 84 . 1 1 13 13 VAL HG23 H 1 0.340 0.006 . 2 . . . A 13 VAL QG2 . 19632 1 85 . 1 1 13 13 VAL CA C 13 59.653 0.129 . 1 . . . A 13 VAL CA . 19632 1 86 . 1 1 13 13 VAL CB C 13 35.347 0.129 . 1 . . . A 13 VAL CB . 19632 1 87 . 1 1 13 13 VAL CG1 C 13 20.317 0.129 . 2 . . . A 13 VAL CG1 . 19632 1 88 . 1 1 13 13 VAL CG2 C 13 22.056 0.129 . 2 . . . A 13 VAL CG2 . 19632 1 89 . 1 1 13 13 VAL N N 15 120.517 0.129 . 1 . . . A 13 VAL N . 19632 1 90 . 1 1 14 14 THR H H 1 8.397 0.006 . 1 . . . A 14 THR H . 19632 1 91 . 1 1 14 14 THR HA H 1 4.465 0.006 . 1 . . . A 14 THR HA . 19632 1 92 . 1 1 14 14 THR HB H 1 3.897 0.006 . 1 . . . A 14 THR HB . 19632 1 93 . 1 1 14 14 THR HG21 H 1 1.075 0.006 . 1 . . . A 14 THR QG2 . 19632 1 94 . 1 1 14 14 THR HG22 H 1 1.075 0.006 . 1 . . . A 14 THR QG2 . 19632 1 95 . 1 1 14 14 THR HG23 H 1 1.075 0.006 . 1 . . . A 14 THR QG2 . 19632 1 96 . 1 1 14 14 THR CA C 13 61.591 0.129 . 1 . . . A 14 THR CA . 19632 1 97 . 1 1 14 14 THR CB C 13 71.537 0.129 . 1 . . . A 14 THR CB . 19632 1 98 . 1 1 14 14 THR CG2 C 13 21.505 0.129 . 1 . . . A 14 THR CG2 . 19632 1 99 . 1 1 14 14 THR N N 15 122.388 0.129 . 1 . . . A 14 THR N . 19632 1 100 . 1 1 15 15 ILE H H 1 8.628 0.006 . 1 . . . A 15 ILE H . 19632 1 101 . 1 1 15 15 ILE HA H 1 4.882 0.006 . 1 . . . A 15 ILE HA . 19632 1 102 . 1 1 15 15 ILE HB H 1 1.636 0.006 . 1 . . . A 15 ILE HB . 19632 1 103 . 1 1 15 15 ILE HG12 H 1 1.403 0.006 . 2 . . . A 15 ILE HG12 . 19632 1 104 . 1 1 15 15 ILE HG13 H 1 0.807 0.006 . 2 . . . A 15 ILE HG13 . 19632 1 105 . 1 1 15 15 ILE HG21 H 1 0.730 0.006 . 1 . . . A 15 ILE QG2 . 19632 1 106 . 1 1 15 15 ILE HG22 H 1 0.730 0.006 . 1 . . . A 15 ILE QG2 . 19632 1 107 . 1 1 15 15 ILE HG23 H 1 0.730 0.006 . 1 . . . A 15 ILE QG2 . 19632 1 108 . 1 1 15 15 ILE HD11 H 1 0.727 0.006 . 1 . . . A 15 ILE QD1 . 19632 1 109 . 1 1 15 15 ILE HD12 H 1 0.727 0.006 . 1 . . . A 15 ILE QD1 . 19632 1 110 . 1 1 15 15 ILE HD13 H 1 0.727 0.006 . 1 . . . A 15 ILE QD1 . 19632 1 111 . 1 1 15 15 ILE CA C 13 60.655 0.129 . 1 . . . A 15 ILE CA . 19632 1 112 . 1 1 15 15 ILE CB C 13 40.004 0.129 . 1 . . . A 15 ILE CB . 19632 1 113 . 1 1 15 15 ILE CG1 C 13 28.884 0.129 . 1 . . . A 15 ILE CG1 . 19632 1 114 . 1 1 15 15 ILE CG2 C 13 17.798 0.129 . 1 . . . A 15 ILE CG2 . 19632 1 115 . 1 1 15 15 ILE CD1 C 13 13.736 0.129 . 1 . . . A 15 ILE CD1 . 19632 1 116 . 1 1 15 15 ILE N N 15 125.929 0.129 . 1 . . . A 15 ILE N . 19632 1 117 . 1 1 16 16 ARG H H 1 9.057 0.006 . 1 . . . A 16 ARG H . 19632 1 118 . 1 1 16 16 ARG HA H 1 4.662 0.006 . 1 . . . A 16 ARG HA . 19632 1 119 . 1 1 16 16 ARG HB2 H 1 1.679 0.006 . 2 . . . A 16 ARG HB2 . 19632 1 120 . 1 1 16 16 ARG HB3 H 1 1.617 0.006 . 2 . . . A 16 ARG HB3 . 19632 1 121 . 1 1 16 16 ARG HG2 H 1 1.379 0.006 . 2 . . . A 16 ARG HG2 . 19632 1 122 . 1 1 16 16 ARG HG3 H 1 1.212 0.006 . 2 . . . A 16 ARG HG3 . 19632 1 123 . 1 1 16 16 ARG HD2 H 1 3.052 0.006 . 2 . . . A 16 ARG HD2 . 19632 1 124 . 1 1 16 16 ARG HD3 H 1 2.965 0.006 . 2 . . . A 16 ARG HD3 . 19632 1 125 . 1 1 16 16 ARG HH11 H 1 7.462 0.006 . 2 . . . A 16 ARG HH1 . 19632 1 126 . 1 1 16 16 ARG HH12 H 1 7.462 0.006 . 2 . . . A 16 ARG HH1 . 19632 1 127 . 1 1 16 16 ARG CA C 13 54.731 0.129 . 1 . . . A 16 ARG CA . 19632 1 128 . 1 1 16 16 ARG CB C 13 33.731 0.129 . 1 . . . A 16 ARG CB . 19632 1 129 . 1 1 16 16 ARG CG C 13 27.593 0.129 . 1 . . . A 16 ARG CG . 19632 1 130 . 1 1 16 16 ARG CD C 13 43.709 0.129 . 1 . . . A 16 ARG CD . 19632 1 131 . 1 1 16 16 ARG N N 15 125.332 0.129 . 1 . . . A 16 ARG N . 19632 1 132 . 1 1 17 17 GLN H H 1 8.508 0.006 . 1 . . . A 17 GLN H . 19632 1 133 . 1 1 17 17 GLN HA H 1 4.803 0.006 . 1 . . . A 17 GLN HA . 19632 1 134 . 1 1 17 17 GLN HB2 H 1 1.977 0.006 . 2 . . . A 17 GLN HB2 . 19632 1 135 . 1 1 17 17 GLN HB3 H 1 1.887 0.006 . 2 . . . A 17 GLN HB3 . 19632 1 136 . 1 1 17 17 GLN HG2 H 1 2.241 0.006 . 1 . . . A 17 GLN HG2 . 19632 1 137 . 1 1 17 17 GLN HG3 H 1 2.279 0.006 . 1 . . . A 17 GLN HG3 . 19632 1 138 . 1 1 17 17 GLN HE21 H 1 7.285 0.006 . 2 . . . A 17 GLN HE21 . 19632 1 139 . 1 1 17 17 GLN HE22 H 1 6.611 0.006 . 2 . . . A 17 GLN HE22 . 19632 1 140 . 1 1 17 17 GLN CA C 13 55.241 0.129 . 1 . . . A 17 GLN CA . 19632 1 141 . 1 1 17 17 GLN CB C 13 30.461 0.129 . 1 . . . A 17 GLN CB . 19632 1 142 . 1 1 17 17 GLN CG C 13 33.928 0.129 . 1 . . . A 17 GLN CG . 19632 1 143 . 1 1 17 17 GLN N N 15 121.044 0.129 . 1 . . . A 17 GLN N . 19632 1 144 . 1 1 17 17 GLN NE2 N 15 110.743 0.129 . 1 . . . A 17 GLN NE2 . 19632 1 145 . 1 1 18 18 GLU H H 1 8.394 0.006 . 1 . . . A 18 GLU H . 19632 1 146 . 1 1 18 18 GLU HA H 1 4.529 0.006 . 1 . . . A 18 GLU HA . 19632 1 147 . 1 1 18 18 GLU HB2 H 1 1.580 0.006 . 2 . . . A 18 GLU HB2 . 19632 1 148 . 1 1 18 18 GLU HB3 H 1 1.885 0.006 . 2 . . . A 18 GLU HB3 . 19632 1 149 . 1 1 18 18 GLU HG2 H 1 1.940 0.006 . 1 . . . A 18 GLU QG . 19632 1 150 . 1 1 18 18 GLU HG3 H 1 1.940 0.006 . 1 . . . A 18 GLU QG . 19632 1 151 . 1 1 18 18 GLU CA C 13 55.018 0.129 . 1 . . . A 18 GLU CA . 19632 1 152 . 1 1 18 18 GLU CB C 13 31.654 0.129 . 1 . . . A 18 GLU CB . 19632 1 153 . 1 1 18 18 GLU CG C 13 36.001 0.129 . 1 . . . A 18 GLU CG . 19632 1 154 . 1 1 18 18 GLU N N 15 125.409 0.129 . 1 . . . A 18 GLU N . 19632 1 155 . 1 1 19 19 GLY H H 1 8.804 0.006 . 1 . . . A 19 GLY H . 19632 1 156 . 1 1 19 19 GLY HA2 H 1 3.648 0.006 . 2 . . . A 19 GLY HA2 . 19632 1 157 . 1 1 19 19 GLY HA3 H 1 3.963 0.006 . 2 . . . A 19 GLY HA3 . 19632 1 158 . 1 1 19 19 GLY CA C 13 47.887 0.129 . 1 . . . A 19 GLY CA . 19632 1 159 . 1 1 19 19 GLY N N 15 114.286 0.129 . 1 . . . A 19 GLY N . 19632 1 160 . 1 1 20 20 ASP H H 1 8.519 0.006 . 1 . . . A 20 ASP H . 19632 1 161 . 1 1 20 20 ASP HA H 1 4.536 0.006 . 1 . . . A 20 ASP HA . 19632 1 162 . 1 1 20 20 ASP HB2 H 1 2.821 0.006 . 2 . . . A 20 ASP HB2 . 19632 1 163 . 1 1 20 20 ASP HB3 H 1 2.645 0.006 . 2 . . . A 20 ASP HB3 . 19632 1 164 . 1 1 20 20 ASP CA C 13 54.019 0.129 . 1 . . . A 20 ASP CA . 19632 1 165 . 1 1 20 20 ASP CB C 13 41.053 0.129 . 1 . . . A 20 ASP CB . 19632 1 166 . 1 1 20 20 ASP N N 15 124.137 0.129 . 1 . . . A 20 ASP N . 19632 1 167 . 1 1 21 21 LYS H H 1 7.696 0.006 . 1 . . . A 21 LYS H . 19632 1 168 . 1 1 21 21 LYS HA H 1 4.648 0.006 . 1 . . . A 21 LYS HA . 19632 1 169 . 1 1 21 21 LYS HB2 H 1 1.509 0.006 . 2 . . . A 21 LYS HB2 . 19632 1 170 . 1 1 21 21 LYS HB3 H 1 1.409 0.006 . 2 . . . A 21 LYS HB3 . 19632 1 171 . 1 1 21 21 LYS HG2 H 1 1.169 0.006 . 2 . . . A 21 LYS HG2 . 19632 1 172 . 1 1 21 21 LYS HG3 H 1 1.114 0.006 . 2 . . . A 21 LYS HG3 . 19632 1 173 . 1 1 21 21 LYS HD2 H 1 1.172 0.006 . 2 . . . A 21 LYS HD2 . 19632 1 174 . 1 1 21 21 LYS HD3 H 1 1.287 0.006 . 2 . . . A 21 LYS HD3 . 19632 1 175 . 1 1 21 21 LYS HE2 H 1 2.638 0.006 . 1 . . . A 21 LYS QE . 19632 1 176 . 1 1 21 21 LYS HE3 H 1 2.638 0.006 . 1 . . . A 21 LYS QE . 19632 1 177 . 1 1 21 21 LYS CA C 13 55.468 0.129 . 1 . . . A 21 LYS CA . 19632 1 178 . 1 1 21 21 LYS CB C 13 34.941 0.129 . 1 . . . A 21 LYS CB . 19632 1 179 . 1 1 21 21 LYS CG C 13 24.431 0.129 . 1 . . . A 21 LYS CG . 19632 1 180 . 1 1 21 21 LYS CD C 13 29.558 0.129 . 1 . . . A 21 LYS CD . 19632 1 181 . 1 1 21 21 LYS CE C 13 42.053 0.129 . 1 . . . A 21 LYS CE . 19632 1 182 . 1 1 21 21 LYS N N 15 116.711 0.129 . 1 . . . A 21 LYS N . 19632 1 183 . 1 1 22 22 THR H H 1 7.994 0.006 . 1 . . . A 22 THR H . 19632 1 184 . 1 1 22 22 THR HA H 1 4.541 0.006 . 1 . . . A 22 THR HA . 19632 1 185 . 1 1 22 22 THR HB H 1 3.844 0.006 . 1 . . . A 22 THR HB . 19632 1 186 . 1 1 22 22 THR HG21 H 1 1.049 0.006 . 1 . . . A 22 THR QG2 . 19632 1 187 . 1 1 22 22 THR HG22 H 1 1.049 0.006 . 1 . . . A 22 THR QG2 . 19632 1 188 . 1 1 22 22 THR HG23 H 1 1.049 0.006 . 1 . . . A 22 THR QG2 . 19632 1 189 . 1 1 22 22 THR CA C 13 62.936 0.129 . 1 . . . A 22 THR CA . 19632 1 190 . 1 1 22 22 THR CB C 13 70.275 0.129 . 1 . . . A 22 THR CB . 19632 1 191 . 1 1 22 22 THR CG2 C 13 22.385 0.129 . 1 . . . A 22 THR CG2 . 19632 1 192 . 1 1 22 22 THR N N 15 118.655 0.129 . 1 . . . A 22 THR N . 19632 1 193 . 1 1 23 23 ILE H H 1 8.957 0.006 . 1 . . . A 23 ILE H . 19632 1 194 . 1 1 23 23 ILE HA H 1 4.699 0.006 . 1 . . . A 23 ILE HA . 19632 1 195 . 1 1 23 23 ILE HB H 1 1.582 0.006 . 1 . . . A 23 ILE HB . 19632 1 196 . 1 1 23 23 ILE HG12 H 1 1.094 0.006 . 2 . . . A 23 ILE HG12 . 19632 1 197 . 1 1 23 23 ILE HG13 H 1 0.878 0.006 . 2 . . . A 23 ILE HG13 . 19632 1 198 . 1 1 23 23 ILE HG21 H 1 0.661 0.006 . 1 . . . A 23 ILE QG2 . 19632 1 199 . 1 1 23 23 ILE HG22 H 1 0.661 0.006 . 1 . . . A 23 ILE QG2 . 19632 1 200 . 1 1 23 23 ILE HG23 H 1 0.661 0.006 . 1 . . . A 23 ILE QG2 . 19632 1 201 . 1 1 23 23 ILE HD11 H 1 0.462 0.006 . 1 . . . A 23 ILE QD1 . 19632 1 202 . 1 1 23 23 ILE HD12 H 1 0.462 0.006 . 1 . . . A 23 ILE QD1 . 19632 1 203 . 1 1 23 23 ILE HD13 H 1 0.462 0.006 . 1 . . . A 23 ILE QD1 . 19632 1 204 . 1 1 23 23 ILE CA C 13 59.119 0.129 . 1 . . . A 23 ILE CA . 19632 1 205 . 1 1 23 23 ILE CB C 13 40.729 0.129 . 1 . . . A 23 ILE CB . 19632 1 206 . 1 1 23 23 ILE CG1 C 13 27.896 0.129 . 1 . . . A 23 ILE CG1 . 19632 1 207 . 1 1 23 23 ILE CG2 C 13 18.908 0.129 . 1 . . . A 23 ILE CG2 . 19632 1 208 . 1 1 23 23 ILE CD1 C 13 14.013 0.129 . 1 . . . A 23 ILE CD1 . 19632 1 209 . 1 1 23 23 ILE N N 15 126.114 0.129 . 1 . . . A 23 ILE N . 19632 1 210 . 1 1 24 24 GLN H H 1 8.932 0.006 . 1 . . . A 24 GLN H . 19632 1 211 . 1 1 24 24 GLN HA H 1 5.121 0.006 . 1 . . . A 24 GLN HA . 19632 1 212 . 1 1 24 24 GLN HB2 H 1 1.941 0.006 . 2 . . . A 24 GLN HB2 . 19632 1 213 . 1 1 24 24 GLN HB3 H 1 1.566 0.006 . 2 . . . A 24 GLN HB3 . 19632 1 214 . 1 1 24 24 GLN HG2 H 1 2.018 0.006 . 2 . . . A 24 GLN HG2 . 19632 1 215 . 1 1 24 24 GLN HG3 H 1 1.928 0.006 . 2 . . . A 24 GLN HG3 . 19632 1 216 . 1 1 24 24 GLN HE21 H 1 6.974 0.006 . 2 . . . A 24 GLN HE21 . 19632 1 217 . 1 1 24 24 GLN HE22 H 1 6.435 0.006 . 2 . . . A 24 GLN HE22 . 19632 1 218 . 1 1 24 24 GLN CA C 13 53.653 0.129 . 1 . . . A 24 GLN CA . 19632 1 219 . 1 1 24 24 GLN CB C 13 30.573 0.129 . 1 . . . A 24 GLN CB . 19632 1 220 . 1 1 24 24 GLN CG C 13 34.419 0.129 . 1 . . . A 24 GLN CG . 19632 1 221 . 1 1 24 24 GLN N N 15 123.560 0.129 . 1 . . . A 24 GLN N . 19632 1 222 . 1 1 24 24 GLN NE2 N 15 109.055 0.129 . 1 . . . A 24 GLN NE2 . 19632 1 223 . 1 1 25 25 GLU H H 1 8.987 0.006 . 1 . . . A 25 GLU H . 19632 1 224 . 1 1 25 25 GLU HA H 1 4.462 0.006 . 1 . . . A 25 GLU HA . 19632 1 225 . 1 1 25 25 GLU HB2 H 1 1.942 0.006 . 2 . . . A 25 GLU HB2 . 19632 1 226 . 1 1 25 25 GLU HB3 H 1 1.657 0.006 . 2 . . . A 25 GLU HB3 . 19632 1 227 . 1 1 25 25 GLU HG2 H 1 1.942 0.006 . 2 . . . A 25 GLU HG2 . 19632 1 228 . 1 1 25 25 GLU HG3 H 1 2.138 0.006 . 2 . . . A 25 GLU HG3 . 19632 1 229 . 1 1 25 25 GLU CA C 13 55.548 0.129 . 1 . . . A 25 GLU CA . 19632 1 230 . 1 1 25 25 GLU CB C 13 32.644 0.129 . 1 . . . A 25 GLU CB . 19632 1 231 . 1 1 25 25 GLU CG C 13 36.466 0.129 . 1 . . . A 25 GLU CG . 19632 1 232 . 1 1 25 25 GLU N N 15 122.651 0.129 . 1 . . . A 25 GLU N . 19632 1 233 . 1 1 26 26 TYR H H 1 8.930 0.006 . 1 . . . A 26 TYR H . 19632 1 234 . 1 1 26 26 TYR HA H 1 4.756 0.006 . 1 . . . A 26 TYR HA . 19632 1 235 . 1 1 26 26 TYR HB2 H 1 2.354 0.006 . 2 . . . A 26 TYR HB2 . 19632 1 236 . 1 1 26 26 TYR HB3 H 1 2.200 0.006 . 2 . . . A 26 TYR HB3 . 19632 1 237 . 1 1 26 26 TYR HD1 H 1 6.918 0.006 . 3 . . . A 26 TYR QD . 19632 1 238 . 1 1 26 26 TYR HD2 H 1 6.918 0.006 . 3 . . . A 26 TYR QD . 19632 1 239 . 1 1 26 26 TYR HE1 H 1 6.701 0.006 . 3 . . . A 26 TYR QE . 19632 1 240 . 1 1 26 26 TYR HE2 H 1 6.701 0.006 . 3 . . . A 26 TYR QE . 19632 1 241 . 1 1 26 26 TYR CA C 13 58.317 0.129 . 1 . . . A 26 TYR CA . 19632 1 242 . 1 1 26 26 TYR CB C 13 38.543 0.129 . 1 . . . A 26 TYR CB . 19632 1 243 . 1 1 26 26 TYR CD1 C 13 133.720 0.129 . 3 . . . A 26 TYR CD1 . 19632 1 244 . 1 1 26 26 TYR CE1 C 13 117.923 0.129 . 3 . . . A 26 TYR CE1 . 19632 1 245 . 1 1 26 26 TYR N N 15 124.044 0.129 . 1 . . . A 26 TYR N . 19632 1 246 . 1 1 27 27 ARG H H 1 8.496 0.006 . 1 . . . A 27 ARG H . 19632 1 247 . 1 1 27 27 ARG HA H 1 5.657 0.006 . 1 . . . A 27 ARG HA . 19632 1 248 . 1 1 27 27 ARG HB2 H 1 1.755 0.006 . 2 . . . A 27 ARG HB2 . 19632 1 249 . 1 1 27 27 ARG HB3 H 1 1.197 0.006 . 2 . . . A 27 ARG HB3 . 19632 1 250 . 1 1 27 27 ARG HG2 H 1 0.943 0.006 . 2 . . . A 27 ARG HG2 . 19632 1 251 . 1 1 27 27 ARG HG3 H 1 1.494 0.006 . 2 . . . A 27 ARG HG3 . 19632 1 252 . 1 1 27 27 ARG HD2 H 1 3.083 0.006 . 2 . . . A 27 ARG HD2 . 19632 1 253 . 1 1 27 27 ARG HD3 H 1 2.734 0.006 . 2 . . . A 27 ARG HD3 . 19632 1 254 . 1 1 27 27 ARG HH11 H 1 7.418 0.006 . 2 . . . A 27 ARG HH1 . 19632 1 255 . 1 1 27 27 ARG HH12 H 1 7.418 0.006 . 2 . . . A 27 ARG HH1 . 19632 1 256 . 1 1 27 27 ARG CA C 13 53.860 0.129 . 1 . . . A 27 ARG CA . 19632 1 257 . 1 1 27 27 ARG CB C 13 36.310 0.129 . 1 . . . A 27 ARG CB . 19632 1 258 . 1 1 27 27 ARG CG C 13 29.970 0.129 . 1 . . . A 27 ARG CG . 19632 1 259 . 1 1 27 27 ARG CD C 13 43.741 0.129 . 1 . . . A 27 ARG CD . 19632 1 260 . 1 1 27 27 ARG N N 15 119.739 0.129 . 1 . . . A 27 ARG N . 19632 1 261 . 1 1 28 28 VAL H H 1 8.716 0.006 . 1 . . . A 28 VAL H . 19632 1 262 . 1 1 28 28 VAL HA H 1 4.526 0.006 . 1 . . . A 28 VAL HA . 19632 1 263 . 1 1 28 28 VAL HB H 1 1.494 0.006 . 1 . . . A 28 VAL HB . 19632 1 264 . 1 1 28 28 VAL HG11 H 1 0.031 0.006 . 2 . . . A 28 VAL QG1 . 19632 1 265 . 1 1 28 28 VAL HG12 H 1 0.031 0.006 . 2 . . . A 28 VAL QG1 . 19632 1 266 . 1 1 28 28 VAL HG13 H 1 0.031 0.006 . 2 . . . A 28 VAL QG1 . 19632 1 267 . 1 1 28 28 VAL HG21 H 1 0.790 0.006 . 2 . . . A 28 VAL QG2 . 19632 1 268 . 1 1 28 28 VAL HG22 H 1 0.790 0.006 . 2 . . . A 28 VAL QG2 . 19632 1 269 . 1 1 28 28 VAL HG23 H 1 0.790 0.006 . 2 . . . A 28 VAL QG2 . 19632 1 270 . 1 1 28 28 VAL CA C 13 60.002 0.129 . 1 . . . A 28 VAL CA . 19632 1 271 . 1 1 28 28 VAL CB C 13 34.889 0.129 . 1 . . . A 28 VAL CB . 19632 1 272 . 1 1 28 28 VAL CG1 C 13 20.385 0.129 . 2 . . . A 28 VAL CG1 . 19632 1 273 . 1 1 28 28 VAL CG2 C 13 18.947 0.129 . 2 . . . A 28 VAL CG2 . 19632 1 274 . 1 1 28 28 VAL N N 15 115.698 0.129 . 1 . . . A 28 VAL N . 19632 1 275 . 1 1 29 29 ASN H H 1 9.605 0.006 . 1 . . . A 29 ASN H . 19632 1 276 . 1 1 29 29 ASN HA H 1 4.309 0.006 . 1 . . . A 29 ASN HA . 19632 1 277 . 1 1 29 29 ASN HB2 H 1 3.043 0.006 . 2 . . . A 29 ASN HB2 . 19632 1 278 . 1 1 29 29 ASN HB3 H 1 2.733 0.006 . 2 . . . A 29 ASN HB3 . 19632 1 279 . 1 1 29 29 ASN HD21 H 1 7.348 0.006 . 2 . . . A 29 ASN HD21 . 19632 1 280 . 1 1 29 29 ASN HD22 H 1 6.802 0.006 . 2 . . . A 29 ASN HD22 . 19632 1 281 . 1 1 29 29 ASN CA C 13 54.385 0.129 . 1 . . . A 29 ASN CA . 19632 1 282 . 1 1 29 29 ASN CB C 13 38.270 0.129 . 1 . . . A 29 ASN CB . 19632 1 283 . 1 1 29 29 ASN N N 15 128.827 0.129 . 1 . . . A 29 ASN N . 19632 1 284 . 1 1 29 29 ASN ND2 N 15 111.407 0.129 . 1 . . . A 29 ASN ND2 . 19632 1 285 . 1 1 30 30 GLY H H 1 8.784 0.006 . 1 . . . A 30 GLY H . 19632 1 286 . 1 1 30 30 GLY HA2 H 1 3.539 0.006 . 2 . . . A 30 GLY HA2 . 19632 1 287 . 1 1 30 30 GLY HA3 H 1 4.283 0.006 . 2 . . . A 30 GLY HA3 . 19632 1 288 . 1 1 30 30 GLY CA C 13 45.901 0.129 . 1 . . . A 30 GLY CA . 19632 1 289 . 1 1 30 30 GLY N N 15 103.111 0.129 . 1 . . . A 30 GLY N . 19632 1 290 . 1 1 31 31 PHE H H 1 8.191 0.006 . 1 . . . A 31 PHE H . 19632 1 291 . 1 1 31 31 PHE HA H 1 4.529 0.006 . 1 . . . A 31 PHE HA . 19632 1 292 . 1 1 31 31 PHE HB2 H 1 2.942 0.006 . 2 . . . A 31 PHE HB2 . 19632 1 293 . 1 1 31 31 PHE HB3 H 1 3.432 0.006 . 2 . . . A 31 PHE HB3 . 19632 1 294 . 1 1 31 31 PHE HD1 H 1 7.114 0.006 . 3 . . . A 31 PHE QD . 19632 1 295 . 1 1 31 31 PHE HD2 H 1 7.114 0.006 . 3 . . . A 31 PHE QD . 19632 1 296 . 1 1 31 31 PHE HE1 H 1 6.906 0.006 . 3 . . . A 31 PHE QE . 19632 1 297 . 1 1 31 31 PHE HE2 H 1 6.906 0.006 . 3 . . . A 31 PHE QE . 19632 1 298 . 1 1 31 31 PHE CA C 13 57.924 0.129 . 1 . . . A 31 PHE CA . 19632 1 299 . 1 1 31 31 PHE CB C 13 40.207 0.129 . 1 . . . A 31 PHE CB . 19632 1 300 . 1 1 31 31 PHE CD2 C 13 132.847 0.129 . 3 . . . A 31 PHE CD2 . 19632 1 301 . 1 1 31 31 PHE CE2 C 13 131.080 0.129 . 3 . . . A 31 PHE CE2 . 19632 1 302 . 1 1 31 31 PHE N N 15 123.693 0.129 . 1 . . . A 31 PHE N . 19632 1 303 . 1 1 32 32 LEU H H 1 8.171 0.006 . 1 . . . A 32 LEU H . 19632 1 304 . 1 1 32 32 LEU HA H 1 4.427 0.006 . 1 . . . A 32 LEU HA . 19632 1 305 . 1 1 32 32 LEU HB2 H 1 1.736 0.006 . 2 . . . A 32 LEU HB2 . 19632 1 306 . 1 1 32 32 LEU HB3 H 1 1.097 0.006 . 2 . . . A 32 LEU HB3 . 19632 1 307 . 1 1 32 32 LEU HG H 1 1.252 0.006 . 1 . . . A 32 LEU HG . 19632 1 308 . 1 1 32 32 LEU HD11 H 1 0.750 0.006 . 2 . . . A 32 LEU QD1 . 19632 1 309 . 1 1 32 32 LEU HD12 H 1 0.750 0.006 . 2 . . . A 32 LEU QD1 . 19632 1 310 . 1 1 32 32 LEU HD13 H 1 0.750 0.006 . 2 . . . A 32 LEU QD1 . 19632 1 311 . 1 1 32 32 LEU HD21 H 1 0.740 0.006 . 2 . . . A 32 LEU QD2 . 19632 1 312 . 1 1 32 32 LEU HD22 H 1 0.740 0.006 . 2 . . . A 32 LEU QD2 . 19632 1 313 . 1 1 32 32 LEU HD23 H 1 0.740 0.006 . 2 . . . A 32 LEU QD2 . 19632 1 314 . 1 1 32 32 LEU CA C 13 55.517 0.129 . 1 . . . A 32 LEU CA . 19632 1 315 . 1 1 32 32 LEU CB C 13 42.468 0.129 . 1 . . . A 32 LEU CB . 19632 1 316 . 1 1 32 32 LEU CG C 13 27.547 0.129 . 1 . . . A 32 LEU CG . 19632 1 317 . 1 1 32 32 LEU CD1 C 13 26.695 0.129 . 2 . . . A 32 LEU CD1 . 19632 1 318 . 1 1 32 32 LEU CD2 C 13 24.616 0.129 . 2 . . . A 32 LEU CD2 . 19632 1 319 . 1 1 32 32 LEU N N 15 130.348 0.129 . 1 . . . A 32 LEU N . 19632 1 320 . 1 1 33 33 TYR H H 1 8.415 0.006 . 1 . . . A 33 TYR H . 19632 1 321 . 1 1 33 33 TYR HA H 1 4.557 0.006 . 1 . . . A 33 TYR HA . 19632 1 322 . 1 1 33 33 TYR HB2 H 1 2.599 0.006 . 2 . . . A 33 TYR HB2 . 19632 1 323 . 1 1 33 33 TYR HB3 H 1 2.046 0.006 . 2 . . . A 33 TYR HB3 . 19632 1 324 . 1 1 33 33 TYR HD1 H 1 7.054 0.006 . 3 . . . A 33 TYR QD . 19632 1 325 . 1 1 33 33 TYR HD2 H 1 7.054 0.006 . 3 . . . A 33 TYR QD . 19632 1 326 . 1 1 33 33 TYR HE1 H 1 6.698 0.006 . 3 . . . A 33 TYR QE . 19632 1 327 . 1 1 33 33 TYR HE2 H 1 6.698 0.006 . 3 . . . A 33 TYR QE . 19632 1 328 . 1 1 33 33 TYR CA C 13 56.404 0.129 . 1 . . . A 33 TYR CA . 19632 1 329 . 1 1 33 33 TYR CB C 13 39.131 0.129 . 1 . . . A 33 TYR CB . 19632 1 330 . 1 1 33 33 TYR CD1 C 13 135.217 0.129 . 3 . . . A 33 TYR CD1 . 19632 1 331 . 1 1 33 33 TYR CE1 C 13 117.899 0.129 . 3 . . . A 33 TYR CE1 . 19632 1 332 . 1 1 33 33 TYR N N 15 124.923 0.129 . 1 . . . A 33 TYR N . 19632 1 333 . 1 1 34 34 ALA H H 1 7.399 0.006 . 1 . . . A 34 ALA H . 19632 1 334 . 1 1 34 34 ALA HA H 1 5.528 0.006 . 1 . . . A 34 ALA HA . 19632 1 335 . 1 1 34 34 ALA HB1 H 1 1.438 0.006 . 1 . . . A 34 ALA QB . 19632 1 336 . 1 1 34 34 ALA HB2 H 1 1.438 0.006 . 1 . . . A 34 ALA QB . 19632 1 337 . 1 1 34 34 ALA HB3 H 1 1.438 0.006 . 1 . . . A 34 ALA QB . 19632 1 338 . 1 1 34 34 ALA CA C 13 52.196 0.129 . 1 . . . A 34 ALA CA . 19632 1 339 . 1 1 34 34 ALA CB C 13 22.633 0.129 . 1 . . . A 34 ALA CB . 19632 1 340 . 1 1 34 34 ALA N N 15 120.211 0.129 . 1 . . . A 34 ALA N . 19632 1 341 . 1 1 35 35 ILE H H 1 9.224 0.006 . 1 . . . A 35 ILE H . 19632 1 342 . 1 1 35 35 ILE HA H 1 5.157 0.006 . 1 . . . A 35 ILE HA . 19632 1 343 . 1 1 35 35 ILE HB H 1 1.554 0.006 . 1 . . . A 35 ILE HB . 19632 1 344 . 1 1 35 35 ILE HG12 H 1 0.854 0.006 . 2 . . . A 35 ILE HG12 . 19632 1 345 . 1 1 35 35 ILE HG13 H 1 1.376 0.006 . 2 . . . A 35 ILE HG13 . 19632 1 346 . 1 1 35 35 ILE HG21 H 1 0.696 0.006 . 1 . . . A 35 ILE QG2 . 19632 1 347 . 1 1 35 35 ILE HG22 H 1 0.696 0.006 . 1 . . . A 35 ILE QG2 . 19632 1 348 . 1 1 35 35 ILE HG23 H 1 0.696 0.006 . 1 . . . A 35 ILE QG2 . 19632 1 349 . 1 1 35 35 ILE HD11 H 1 0.369 0.006 . 1 . . . A 35 ILE QD1 . 19632 1 350 . 1 1 35 35 ILE HD12 H 1 0.369 0.006 . 1 . . . A 35 ILE QD1 . 19632 1 351 . 1 1 35 35 ILE HD13 H 1 0.369 0.006 . 1 . . . A 35 ILE QD1 . 19632 1 352 . 1 1 35 35 ILE CA C 13 60.000 0.129 . 1 . . . A 35 ILE CA . 19632 1 353 . 1 1 35 35 ILE CB C 13 43.639 0.129 . 1 . . . A 35 ILE CB . 19632 1 354 . 1 1 35 35 ILE CG1 C 13 28.982 0.129 . 1 . . . A 35 ILE CG1 . 19632 1 355 . 1 1 35 35 ILE CG2 C 13 19.650 0.129 . 1 . . . A 35 ILE CG2 . 19632 1 356 . 1 1 35 35 ILE CD1 C 13 15.308 0.129 . 1 . . . A 35 ILE CD1 . 19632 1 357 . 1 1 35 35 ILE N N 15 118.197 0.129 . 1 . . . A 35 ILE N . 19632 1 358 . 1 1 36 36 LYS H H 1 9.708 0.006 . 1 . . . A 36 LYS H . 19632 1 359 . 1 1 36 36 LYS HA H 1 4.204 0.006 . 1 . . . A 36 LYS HA . 19632 1 360 . 1 1 36 36 LYS HB2 H 1 1.403 0.006 . 2 . . . A 36 LYS HB2 . 19632 1 361 . 1 1 36 36 LYS HB3 H 1 1.682 0.006 . 2 . . . A 36 LYS HB3 . 19632 1 362 . 1 1 36 36 LYS HG2 H 1 0.033 0.006 . 2 . . . A 36 LYS HG2 . 19632 1 363 . 1 1 36 36 LYS HG3 H 1 0.608 0.006 . 2 . . . A 36 LYS HG3 . 19632 1 364 . 1 1 36 36 LYS HD2 H 1 1.435 0.006 . 2 . . . A 36 LYS HD2 . 19632 1 365 . 1 1 36 36 LYS HD3 H 1 1.345 0.006 . 2 . . . A 36 LYS HD3 . 19632 1 366 . 1 1 36 36 LYS HE2 H 1 2.551 0.006 . 1 . . . A 36 LYS QE . 19632 1 367 . 1 1 36 36 LYS HE3 H 1 2.551 0.006 . 1 . . . A 36 LYS QE . 19632 1 368 . 1 1 36 36 LYS CA C 13 55.245 0.129 . 1 . . . A 36 LYS CA . 19632 1 369 . 1 1 36 36 LYS CB C 13 36.092 0.129 . 1 . . . A 36 LYS CB . 19632 1 370 . 1 1 36 36 LYS CG C 13 25.016 0.129 . 1 . . . A 36 LYS CG . 19632 1 371 . 1 1 36 36 LYS CD C 13 30.328 0.129 . 1 . . . A 36 LYS CD . 19632 1 372 . 1 1 36 36 LYS CE C 13 42.146 0.129 . 1 . . . A 36 LYS CE . 19632 1 373 . 1 1 36 36 LYS N N 15 127.872 0.129 . 1 . . . A 36 LYS N . 19632 1 374 . 1 1 37 37 VAL H H 1 8.551 0.006 . 1 . . . A 37 VAL H . 19632 1 375 . 1 1 37 37 VAL HA H 1 4.043 0.006 . 1 . . . A 37 VAL HA . 19632 1 376 . 1 1 37 37 VAL HB H 1 2.069 0.006 . 1 . . . A 37 VAL HB . 19632 1 377 . 1 1 37 37 VAL HG11 H 1 0.499 0.006 . 2 . . . A 37 VAL QG1 . 19632 1 378 . 1 1 37 37 VAL HG12 H 1 0.499 0.006 . 2 . . . A 37 VAL QG1 . 19632 1 379 . 1 1 37 37 VAL HG13 H 1 0.499 0.006 . 2 . . . A 37 VAL QG1 . 19632 1 380 . 1 1 37 37 VAL HG21 H 1 0.472 0.006 . 2 . . . A 37 VAL QG2 . 19632 1 381 . 1 1 37 37 VAL HG22 H 1 0.472 0.006 . 2 . . . A 37 VAL QG2 . 19632 1 382 . 1 1 37 37 VAL HG23 H 1 0.472 0.006 . 2 . . . A 37 VAL QG2 . 19632 1 383 . 1 1 37 37 VAL CA C 13 61.840 0.129 . 1 . . . A 37 VAL CA . 19632 1 384 . 1 1 37 37 VAL CB C 13 32.523 0.129 . 1 . . . A 37 VAL CB . 19632 1 385 . 1 1 37 37 VAL CG1 C 13 21.594 0.129 . 2 . . . A 37 VAL CG1 . 19632 1 386 . 1 1 37 37 VAL CG2 C 13 21.548 0.129 . 2 . . . A 37 VAL CG2 . 19632 1 387 . 1 1 37 37 VAL N N 15 128.005 0.129 . 1 . . . A 37 VAL N . 19632 1 388 . 1 1 38 38 VAL H H 1 8.668 0.006 . 1 . . . A 38 VAL H . 19632 1 389 . 1 1 38 38 VAL HA H 1 4.277 0.006 . 1 . . . A 38 VAL HA . 19632 1 390 . 1 1 38 38 VAL HB H 1 2.069 0.006 . 1 . . . A 38 VAL HB . 19632 1 391 . 1 1 38 38 VAL HG11 H 1 0.649 0.006 . 2 . . . A 38 VAL QG1 . 19632 1 392 . 1 1 38 38 VAL HG12 H 1 0.649 0.006 . 2 . . . A 38 VAL QG1 . 19632 1 393 . 1 1 38 38 VAL HG13 H 1 0.649 0.006 . 2 . . . A 38 VAL QG1 . 19632 1 394 . 1 1 38 38 VAL HG21 H 1 0.791 0.006 . 2 . . . A 38 VAL QG2 . 19632 1 395 . 1 1 38 38 VAL HG22 H 1 0.791 0.006 . 2 . . . A 38 VAL QG2 . 19632 1 396 . 1 1 38 38 VAL HG23 H 1 0.791 0.006 . 2 . . . A 38 VAL QG2 . 19632 1 397 . 1 1 38 38 VAL CA C 13 59.287 0.129 . 1 . . . A 38 VAL CA . 19632 1 398 . 1 1 38 38 VAL CB C 13 32.568 0.129 . 1 . . . A 38 VAL CB . 19632 1 399 . 1 1 38 38 VAL CG1 C 13 20.450 0.129 . 2 . . . A 38 VAL CG1 . 19632 1 400 . 1 1 38 38 VAL CG2 C 13 21.880 0.129 . 2 . . . A 38 VAL CG2 . 19632 1 401 . 1 1 38 38 VAL N N 15 125.034 0.129 . 1 . . . A 38 VAL N . 19632 1 402 . 1 1 39 39 PRO HA H 1 4.565 0.006 . 1 . . . A 39 PRO HA . 19632 1 403 . 1 1 39 39 PRO HB2 H 1 2.186 0.006 . 2 . . . A 39 PRO HB2 . 19632 1 404 . 1 1 39 39 PRO HB3 H 1 1.888 0.006 . 2 . . . A 39 PRO HB3 . 19632 1 405 . 1 1 39 39 PRO HG2 H 1 1.772 0.006 . 1 . . . A 39 PRO QG . 19632 1 406 . 1 1 39 39 PRO HG3 H 1 1.772 0.006 . 1 . . . A 39 PRO QG . 19632 1 407 . 1 1 39 39 PRO HD2 H 1 3.391 0.006 . 2 . . . A 39 PRO HD2 . 19632 1 408 . 1 1 39 39 PRO HD3 H 1 3.642 0.006 . 2 . . . A 39 PRO HD3 . 19632 1 409 . 1 1 39 39 PRO CA C 13 62.202 0.129 . 1 . . . A 39 PRO CA . 19632 1 410 . 1 1 39 39 PRO CB C 13 32.887 0.129 . 1 . . . A 39 PRO CB . 19632 1 411 . 1 1 39 39 PRO CG C 13 27.417 0.129 . 1 . . . A 39 PRO CG . 19632 1 412 . 1 1 39 39 PRO CD C 13 51.605 0.129 . 1 . . . A 39 PRO CD . 19632 1 413 . 1 1 40 40 LYS H H 1 8.275 0.006 . 1 . . . A 40 LYS H . 19632 1 414 . 1 1 40 40 LYS HA H 1 3.877 0.006 . 1 . . . A 40 LYS HA . 19632 1 415 . 1 1 40 40 LYS HB2 H 1 1.736 0.006 . 2 . . . A 40 LYS HB2 . 19632 1 416 . 1 1 40 40 LYS HB3 H 1 1.510 0.006 . 2 . . . A 40 LYS HB3 . 19632 1 417 . 1 1 40 40 LYS HG2 H 1 1.046 0.006 . 2 . . . A 40 LYS HG2 . 19632 1 418 . 1 1 40 40 LYS HG3 H 1 1.201 0.006 . 2 . . . A 40 LYS HG3 . 19632 1 419 . 1 1 40 40 LYS HD2 H 1 1.581 0.006 . 1 . . . A 40 LYS QD . 19632 1 420 . 1 1 40 40 LYS HD3 H 1 1.581 0.006 . 1 . . . A 40 LYS QD . 19632 1 421 . 1 1 40 40 LYS HE2 H 1 2.879 0.006 . 1 . . . A 40 LYS QE . 19632 1 422 . 1 1 40 40 LYS HE3 H 1 2.879 0.006 . 1 . . . A 40 LYS QE . 19632 1 423 . 1 1 40 40 LYS CA C 13 58.950 0.129 . 1 . . . A 40 LYS CA . 19632 1 424 . 1 1 40 40 LYS CB C 13 32.988 0.129 . 1 . . . A 40 LYS CB . 19632 1 425 . 1 1 40 40 LYS CG C 13 25.245 0.129 . 1 . . . A 40 LYS CG . 19632 1 426 . 1 1 40 40 LYS CD C 13 29.471 0.129 . 1 . . . A 40 LYS CD . 19632 1 427 . 1 1 40 40 LYS CE C 13 42.559 0.129 . 1 . . . A 40 LYS CE . 19632 1 428 . 1 1 40 40 LYS N N 15 121.622 0.129 . 1 . . . A 40 LYS N . 19632 1 429 . 1 1 41 41 HIS H H 1 8.040 0.006 . 1 . . . A 41 HIS H . 19632 1 430 . 1 1 41 41 HIS HA H 1 4.795 0.006 . 1 . . . A 41 HIS HA . 19632 1 431 . 1 1 41 41 HIS HB2 H 1 3.169 0.006 . 2 . . . A 41 HIS HB2 . 19632 1 432 . 1 1 41 41 HIS HB3 H 1 3.020 0.006 . 2 . . . A 41 HIS HB3 . 19632 1 433 . 1 1 41 41 HIS HD2 H 1 7.138 0.006 . 1 . . . A 41 HIS HD2 . 19632 1 434 . 1 1 41 41 HIS HE1 H 1 8.181 0.006 . 1 . . . A 41 HIS HE1 . 19632 1 435 . 1 1 41 41 HIS CA C 13 54.904 0.129 . 1 . . . A 41 HIS CA . 19632 1 436 . 1 1 41 41 HIS CB C 13 30.835 0.129 . 1 . . . A 41 HIS CB . 19632 1 437 . 1 1 41 41 HIS CD2 C 13 120.969 0.129 . 1 . . . A 41 HIS CD2 . 19632 1 438 . 1 1 41 41 HIS CE1 C 13 137.811 0.129 . 1 . . . A 41 HIS CE1 . 19632 1 439 . 1 1 41 41 HIS N N 15 114.012 0.129 . 1 . . . A 41 HIS N . 19632 1 440 . 1 1 42 42 GLY H H 1 7.966 0.006 . 1 . . . A 42 GLY H . 19632 1 441 . 1 1 42 42 GLY HA2 H 1 3.983 0.006 . 2 . . . A 42 GLY HA2 . 19632 1 442 . 1 1 42 42 GLY HA3 H 1 4.164 0.006 . 2 . . . A 42 GLY HA3 . 19632 1 443 . 1 1 42 42 GLY CA C 13 44.482 0.129 . 1 . . . A 42 GLY CA . 19632 1 444 . 1 1 42 42 GLY N N 15 109.068 0.129 . 1 . . . A 42 GLY N . 19632 1 445 . 1 1 43 43 LYS H H 1 8.209 0.006 . 1 . . . A 43 LYS H . 19632 1 446 . 1 1 43 43 LYS HA H 1 4.680 0.006 . 1 . . . A 43 LYS HA . 19632 1 447 . 1 1 43 43 LYS HB2 H 1 1.781 0.006 . 2 . . . A 43 LYS HB2 . 19632 1 448 . 1 1 43 43 LYS HB3 H 1 1.903 0.006 . 2 . . . A 43 LYS HB3 . 19632 1 449 . 1 1 43 43 LYS HG2 H 1 1.597 0.006 . 1 . . . A 43 LYS QG . 19632 1 450 . 1 1 43 43 LYS HG3 H 1 1.597 0.006 . 1 . . . A 43 LYS QG . 19632 1 451 . 1 1 43 43 LYS HD2 H 1 1.775 0.006 . 1 . . . A 43 LYS QD . 19632 1 452 . 1 1 43 43 LYS HD3 H 1 1.775 0.006 . 1 . . . A 43 LYS QD . 19632 1 453 . 1 1 43 43 LYS HE2 H 1 3.078 0.006 . 1 . . . A 43 LYS QE . 19632 1 454 . 1 1 43 43 LYS HE3 H 1 3.078 0.006 . 1 . . . A 43 LYS QE . 19632 1 455 . 1 1 43 43 LYS CA C 13 54.392 0.129 . 1 . . . A 43 LYS CA . 19632 1 456 . 1 1 43 43 LYS CB C 13 33.511 0.129 . 1 . . . A 43 LYS CB . 19632 1 457 . 1 1 43 43 LYS CG C 13 25.269 0.129 . 1 . . . A 43 LYS CG . 19632 1 458 . 1 1 43 43 LYS CD C 13 29.752 0.129 . 1 . . . A 43 LYS CD . 19632 1 459 . 1 1 43 43 LYS CE C 13 42.736 0.129 . 1 . . . A 43 LYS CE . 19632 1 460 . 1 1 43 43 LYS N N 15 120.287 0.129 . 1 . . . A 43 LYS N . 19632 1 461 . 1 1 44 44 PRO HA H 1 5.013 0.006 . 1 . . . A 44 PRO HA . 19632 1 462 . 1 1 44 44 PRO HB2 H 1 2.166 0.006 . 2 . . . A 44 PRO HB2 . 19632 1 463 . 1 1 44 44 PRO HB3 H 1 1.587 0.006 . 2 . . . A 44 PRO HB3 . 19632 1 464 . 1 1 44 44 PRO HG2 H 1 2.065 0.006 . 1 . . . A 44 PRO QG . 19632 1 465 . 1 1 44 44 PRO HG3 H 1 2.065 0.006 . 1 . . . A 44 PRO QG . 19632 1 466 . 1 1 44 44 PRO HD2 H 1 3.641 0.006 . 2 . . . A 44 PRO HD2 . 19632 1 467 . 1 1 44 44 PRO HD3 H 1 4.034 0.006 . 2 . . . A 44 PRO HD3 . 19632 1 468 . 1 1 44 44 PRO CA C 13 62.744 0.129 . 1 . . . A 44 PRO CA . 19632 1 469 . 1 1 44 44 PRO CB C 13 33.747 0.129 . 1 . . . A 44 PRO CB . 19632 1 470 . 1 1 44 44 PRO CG C 13 28.071 0.129 . 1 . . . A 44 PRO CG . 19632 1 471 . 1 1 44 44 PRO CD C 13 51.134 0.129 . 1 . . . A 44 PRO CD . 19632 1 472 . 1 1 45 45 TYR H H 1 8.176 0.006 . 1 . . . A 45 TYR H . 19632 1 473 . 1 1 45 45 TYR HA H 1 4.897 0.006 . 1 . . . A 45 TYR HA . 19632 1 474 . 1 1 45 45 TYR HB2 H 1 3.077 0.006 . 2 . . . A 45 TYR HB2 . 19632 1 475 . 1 1 45 45 TYR HB3 H 1 2.998 0.006 . 2 . . . A 45 TYR HB3 . 19632 1 476 . 1 1 45 45 TYR HD1 H 1 6.903 0.006 . 3 . . . A 45 TYR QD . 19632 1 477 . 1 1 45 45 TYR HD2 H 1 6.903 0.006 . 3 . . . A 45 TYR QD . 19632 1 478 . 1 1 45 45 TYR HE1 H 1 6.527 0.006 . 3 . . . A 45 TYR QE . 19632 1 479 . 1 1 45 45 TYR HE2 H 1 6.527 0.006 . 3 . . . A 45 TYR QE . 19632 1 480 . 1 1 45 45 TYR CA C 13 56.387 0.129 . 1 . . . A 45 TYR CA . 19632 1 481 . 1 1 45 45 TYR CB C 13 40.574 0.129 . 1 . . . A 45 TYR CB . 19632 1 482 . 1 1 45 45 TYR CD2 C 13 134.293 0.129 . 3 . . . A 45 TYR CD2 . 19632 1 483 . 1 1 45 45 TYR CE2 C 13 117.705 0.129 . 3 . . . A 45 TYR CE2 . 19632 1 484 . 1 1 45 45 TYR N N 15 115.140 0.129 . 1 . . . A 45 TYR N . 19632 1 485 . 1 1 46 46 PHE H H 1 8.607 0.006 . 1 . . . A 46 PHE H . 19632 1 486 . 1 1 46 46 PHE HA H 1 5.662 0.006 . 1 . . . A 46 PHE HA . 19632 1 487 . 1 1 46 46 PHE HB2 H 1 2.734 0.006 . 2 . . . A 46 PHE HB2 . 19632 1 488 . 1 1 46 46 PHE HB3 H 1 2.631 0.006 . 2 . . . A 46 PHE HB3 . 19632 1 489 . 1 1 46 46 PHE HD1 H 1 7.023 0.006 . 3 . . . A 46 PHE QD . 19632 1 490 . 1 1 46 46 PHE HD2 H 1 7.023 0.006 . 3 . . . A 46 PHE QD . 19632 1 491 . 1 1 46 46 PHE CA C 13 56.395 0.129 . 1 . . . A 46 PHE CA . 19632 1 492 . 1 1 46 46 PHE CB C 13 43.736 0.129 . 1 . . . A 46 PHE CB . 19632 1 493 . 1 1 46 46 PHE CD1 C 13 131.579 0.129 . 3 . . . A 46 PHE CD1 . 19632 1 494 . 1 1 46 46 PHE N N 15 115.001 0.129 . 1 . . . A 46 PHE N . 19632 1 495 . 1 1 47 47 LEU H H 1 9.631 0.006 . 1 . . . A 47 LEU H . 19632 1 496 . 1 1 47 47 LEU HA H 1 5.339 0.006 . 1 . . . A 47 LEU HA . 19632 1 497 . 1 1 47 47 LEU HB2 H 1 1.199 0.006 . 2 . . . A 47 LEU HB2 . 19632 1 498 . 1 1 47 47 LEU HB3 H 1 1.690 0.006 . 2 . . . A 47 LEU HB3 . 19632 1 499 . 1 1 47 47 LEU HG H 1 1.639 0.006 . 1 . . . A 47 LEU HG . 19632 1 500 . 1 1 47 47 LEU HD11 H 1 0.831 0.006 . 2 . . . A 47 LEU QD1 . 19632 1 501 . 1 1 47 47 LEU HD12 H 1 0.831 0.006 . 2 . . . A 47 LEU QD1 . 19632 1 502 . 1 1 47 47 LEU HD13 H 1 0.831 0.006 . 2 . . . A 47 LEU QD1 . 19632 1 503 . 1 1 47 47 LEU HD21 H 1 0.716 0.006 . 2 . . . A 47 LEU QD2 . 19632 1 504 . 1 1 47 47 LEU HD22 H 1 0.716 0.006 . 2 . . . A 47 LEU QD2 . 19632 1 505 . 1 1 47 47 LEU HD23 H 1 0.716 0.006 . 2 . . . A 47 LEU QD2 . 19632 1 506 . 1 1 47 47 LEU CA C 13 54.116 0.129 . 1 . . . A 47 LEU CA . 19632 1 507 . 1 1 47 47 LEU CB C 13 44.357 0.129 . 1 . . . A 47 LEU CB . 19632 1 508 . 1 1 47 47 LEU CG C 13 28.122 0.129 . 1 . . . A 47 LEU CG . 19632 1 509 . 1 1 47 47 LEU CD1 C 13 25.538 0.129 . 2 . . . A 47 LEU CD1 . 19632 1 510 . 1 1 47 47 LEU CD2 C 13 26.565 0.129 . 2 . . . A 47 LEU CD2 . 19632 1 511 . 1 1 47 47 LEU N N 15 121.747 0.129 . 1 . . . A 47 LEU N . 19632 1 512 . 1 1 48 48 VAL H H 1 9.334 0.006 . 1 . . . A 48 VAL H . 19632 1 513 . 1 1 48 48 VAL HA H 1 4.476 0.006 . 1 . . . A 48 VAL HA . 19632 1 514 . 1 1 48 48 VAL HB H 1 1.312 0.006 . 1 . . . A 48 VAL HB . 19632 1 515 . 1 1 48 48 VAL HG11 H 1 0.661 0.006 . 2 . . . A 48 VAL QG1 . 19632 1 516 . 1 1 48 48 VAL HG12 H 1 0.661 0.006 . 2 . . . A 48 VAL QG1 . 19632 1 517 . 1 1 48 48 VAL HG13 H 1 0.661 0.006 . 2 . . . A 48 VAL QG1 . 19632 1 518 . 1 1 48 48 VAL HG21 H 1 0.311 0.006 . 2 . . . A 48 VAL QG2 . 19632 1 519 . 1 1 48 48 VAL HG22 H 1 0.311 0.006 . 2 . . . A 48 VAL QG2 . 19632 1 520 . 1 1 48 48 VAL HG23 H 1 0.311 0.006 . 2 . . . A 48 VAL QG2 . 19632 1 521 . 1 1 48 48 VAL CA C 13 61.559 0.129 . 1 . . . A 48 VAL CA . 19632 1 522 . 1 1 48 48 VAL CB C 13 35.232 0.129 . 1 . . . A 48 VAL CB . 19632 1 523 . 1 1 48 48 VAL CG1 C 13 21.301 0.129 . 2 . . . A 48 VAL CG1 . 19632 1 524 . 1 1 48 48 VAL CG2 C 13 21.077 0.129 . 2 . . . A 48 VAL CG2 . 19632 1 525 . 1 1 48 48 VAL N N 15 122.850 0.129 . 1 . . . A 48 VAL N . 19632 1 526 . 1 1 49 49 ARG H H 1 8.451 0.006 . 1 . . . A 49 ARG H . 19632 1 527 . 1 1 49 49 ARG HA H 1 3.045 0.006 . 1 . . . A 49 ARG HA . 19632 1 528 . 1 1 49 49 ARG HB2 H 1 1.270 0.006 . 2 . . . A 49 ARG HB2 . 19632 1 529 . 1 1 49 49 ARG HB3 H 1 1.869 0.006 . 2 . . . A 49 ARG HB3 . 19632 1 530 . 1 1 49 49 ARG HG2 H 1 1.736 0.006 . 2 . . . A 49 ARG HG2 . 19632 1 531 . 1 1 49 49 ARG HG3 H 1 1.543 0.006 . 2 . . . A 49 ARG HG3 . 19632 1 532 . 1 1 49 49 ARG HD2 H 1 2.744 0.006 . 2 . . . A 49 ARG HD2 . 19632 1 533 . 1 1 49 49 ARG HD3 H 1 2.228 0.006 . 2 . . . A 49 ARG HD3 . 19632 1 534 . 1 1 49 49 ARG HH11 H 1 7.086 0.006 . 2 . . . A 49 ARG HH1 . 19632 1 535 . 1 1 49 49 ARG HH12 H 1 7.086 0.006 . 2 . . . A 49 ARG HH1 . 19632 1 536 . 1 1 49 49 ARG CA C 13 56.623 0.129 . 1 . . . A 49 ARG CA . 19632 1 537 . 1 1 49 49 ARG CB C 13 31.326 0.129 . 1 . . . A 49 ARG CB . 19632 1 538 . 1 1 49 49 ARG CG C 13 27.323 0.129 . 1 . . . A 49 ARG CG . 19632 1 539 . 1 1 49 49 ARG CD C 13 42.674 0.129 . 1 . . . A 49 ARG CD . 19632 1 540 . 1 1 49 49 ARG N N 15 129.488 0.129 . 1 . . . A 49 ARG N . 19632 1 541 . 1 1 50 50 ALA H H 1 8.524 0.006 . 1 . . . A 50 ALA H . 19632 1 542 . 1 1 50 50 ALA HA H 1 4.418 0.006 . 1 . . . A 50 ALA HA . 19632 1 543 . 1 1 50 50 ALA HB1 H 1 1.297 0.006 . 1 . . . A 50 ALA QB . 19632 1 544 . 1 1 50 50 ALA HB2 H 1 1.297 0.006 . 1 . . . A 50 ALA QB . 19632 1 545 . 1 1 50 50 ALA HB3 H 1 1.297 0.006 . 1 . . . A 50 ALA QB . 19632 1 546 . 1 1 50 50 ALA CA C 13 51.502 0.129 . 1 . . . A 50 ALA CA . 19632 1 547 . 1 1 50 50 ALA CB C 13 20.364 0.129 . 1 . . . A 50 ALA CB . 19632 1 548 . 1 1 50 50 ALA N N 15 131.016 0.129 . 1 . . . A 50 ALA N . 19632 1 549 . 1 1 51 51 ASP H H 1 8.597 0.006 . 1 . . . A 51 ASP H . 19632 1 550 . 1 1 51 51 ASP HA H 1 4.413 0.006 . 1 . . . A 51 ASP HA . 19632 1 551 . 1 1 51 51 ASP HB2 H 1 2.586 0.006 . 2 . . . A 51 ASP HB2 . 19632 1 552 . 1 1 51 51 ASP HB3 H 1 2.772 0.006 . 2 . . . A 51 ASP HB3 . 19632 1 553 . 1 1 51 51 ASP CA C 13 54.301 0.129 . 1 . . . A 51 ASP CA . 19632 1 554 . 1 1 51 51 ASP CB C 13 41.710 0.129 . 1 . . . A 51 ASP CB . 19632 1 555 . 1 1 51 51 ASP N N 15 112.516 0.129 . 1 . . . A 51 ASP N . 19632 1 556 . 1 1 52 52 GLY H H 1 8.378 0.006 . 1 . . . A 52 GLY H . 19632 1 557 . 1 1 52 52 GLY HA2 H 1 4.541 0.006 . 2 . . . A 52 GLY HA2 . 19632 1 558 . 1 1 52 52 GLY HA3 H 1 4.034 0.006 . 2 . . . A 52 GLY HA3 . 19632 1 559 . 1 1 52 52 GLY CA C 13 45.499 0.129 . 1 . . . A 52 GLY CA . 19632 1 560 . 1 1 52 52 GLY N N 15 106.147 0.129 . 1 . . . A 52 GLY N . 19632 1 561 . 1 1 53 53 SER H H 1 8.677 0.006 . 1 . . . A 53 SER H . 19632 1 562 . 1 1 53 53 SER HA H 1 4.439 0.006 . 1 . . . A 53 SER HA . 19632 1 563 . 1 1 53 53 SER HB2 H 1 3.995 0.006 . 2 . . . A 53 SER HB2 . 19632 1 564 . 1 1 53 53 SER HB3 H 1 3.896 0.006 . 2 . . . A 53 SER HB3 . 19632 1 565 . 1 1 53 53 SER CA C 13 60.282 0.129 . 1 . . . A 53 SER CA . 19632 1 566 . 1 1 53 53 SER CB C 13 64.175 0.129 . 1 . . . A 53 SER CB . 19632 1 567 . 1 1 53 53 SER N N 15 115.000 0.129 . 1 . . . A 53 SER N . 19632 1 568 . 1 1 54 54 ASP H H 1 8.364 0.006 . 1 . . . A 54 ASP H . 19632 1 569 . 1 1 54 54 ASP HA H 1 4.595 0.006 . 1 . . . A 54 ASP HA . 19632 1 570 . 1 1 54 54 ASP HB2 H 1 2.638 0.006 . 2 . . . A 54 ASP HB2 . 19632 1 571 . 1 1 54 54 ASP HB3 H 1 2.724 0.006 . 2 . . . A 54 ASP HB3 . 19632 1 572 . 1 1 54 54 ASP CA C 13 55.689 0.129 . 1 . . . A 54 ASP CA . 19632 1 573 . 1 1 54 54 ASP CB C 13 41.326 0.129 . 1 . . . A 54 ASP CB . 19632 1 574 . 1 1 54 54 ASP N N 15 119.220 0.129 . 1 . . . A 54 ASP N . 19632 1 575 . 1 1 55 55 GLY H H 1 7.801 0.006 . 1 . . . A 55 GLY H . 19632 1 576 . 1 1 55 55 GLY HA2 H 1 3.546 0.006 . 2 . . . A 55 GLY HA2 . 19632 1 577 . 1 1 55 55 GLY HA3 H 1 3.874 0.006 . 2 . . . A 55 GLY HA3 . 19632 1 578 . 1 1 55 55 GLY CA C 13 47.210 0.129 . 1 . . . A 55 GLY CA . 19632 1 579 . 1 1 55 55 GLY N N 15 107.460 0.129 . 1 . . . A 55 GLY N . 19632 1 580 . 1 1 56 56 ASN H H 1 7.919 0.006 . 1 . . . A 56 ASN H . 19632 1 581 . 1 1 56 56 ASN HA H 1 4.997 0.006 . 1 . . . A 56 ASN HA . 19632 1 582 . 1 1 56 56 ASN HB2 H 1 2.256 0.006 . 2 . . . A 56 ASN HB2 . 19632 1 583 . 1 1 56 56 ASN HB3 H 1 2.596 0.006 . 2 . . . A 56 ASN HB3 . 19632 1 584 . 1 1 56 56 ASN HD21 H 1 7.750 0.006 . 2 . . . A 56 ASN HD21 . 19632 1 585 . 1 1 56 56 ASN HD22 H 1 6.985 0.006 . 2 . . . A 56 ASN HD22 . 19632 1 586 . 1 1 56 56 ASN CA C 13 53.235 0.129 . 1 . . . A 56 ASN CA . 19632 1 587 . 1 1 56 56 ASN CB C 13 41.540 0.129 . 1 . . . A 56 ASN CB . 19632 1 588 . 1 1 56 56 ASN N N 15 116.076 0.129 . 1 . . . A 56 ASN N . 19632 1 589 . 1 1 56 56 ASN ND2 N 15 114.616 0.129 . 1 . . . A 56 ASN ND2 . 19632 1 590 . 1 1 57 57 PHE H H 1 9.203 0.006 . 1 . . . A 57 PHE H . 19632 1 591 . 1 1 57 57 PHE HA H 1 5.043 0.006 . 1 . . . A 57 PHE HA . 19632 1 592 . 1 1 57 57 PHE HB2 H 1 2.658 0.006 . 2 . . . A 57 PHE HB2 . 19632 1 593 . 1 1 57 57 PHE HB3 H 1 2.515 0.006 . 2 . . . A 57 PHE HB3 . 19632 1 594 . 1 1 57 57 PHE HD1 H 1 6.830 0.006 . 3 . . . A 57 PHE QD . 19632 1 595 . 1 1 57 57 PHE HD2 H 1 6.830 0.006 . 3 . . . A 57 PHE QD . 19632 1 596 . 1 1 57 57 PHE CA C 13 56.786 0.129 . 1 . . . A 57 PHE CA . 19632 1 597 . 1 1 57 57 PHE CB C 13 44.374 0.129 . 1 . . . A 57 PHE CB . 19632 1 598 . 1 1 57 57 PHE CD2 C 13 132.163 0.129 . 3 . . . A 57 PHE CD2 . 19632 1 599 . 1 1 57 57 PHE N N 15 118.405 0.129 . 1 . . . A 57 PHE N . 19632 1 600 . 1 1 58 58 ILE H H 1 9.222 0.006 . 1 . . . A 58 ILE H . 19632 1 601 . 1 1 58 58 ILE HA H 1 4.507 0.006 . 1 . . . A 58 ILE HA . 19632 1 602 . 1 1 58 58 ILE HB H 1 1.447 0.006 . 1 . . . A 58 ILE HB . 19632 1 603 . 1 1 58 58 ILE HG12 H 1 1.448 0.006 . 2 . . . A 58 ILE HG12 . 19632 1 604 . 1 1 58 58 ILE HG13 H 1 1.018 0.006 . 2 . . . A 58 ILE HG13 . 19632 1 605 . 1 1 58 58 ILE HG21 H 1 0.969 0.006 . 1 . . . A 58 ILE QG2 . 19632 1 606 . 1 1 58 58 ILE HG22 H 1 0.969 0.006 . 1 . . . A 58 ILE QG2 . 19632 1 607 . 1 1 58 58 ILE HG23 H 1 0.969 0.006 . 1 . . . A 58 ILE QG2 . 19632 1 608 . 1 1 58 58 ILE HD11 H 1 0.821 0.006 . 1 . . . A 58 ILE QD1 . 19632 1 609 . 1 1 58 58 ILE HD12 H 1 0.821 0.006 . 1 . . . A 58 ILE QD1 . 19632 1 610 . 1 1 58 58 ILE HD13 H 1 0.821 0.006 . 1 . . . A 58 ILE QD1 . 19632 1 611 . 1 1 58 58 ILE CA C 13 60.493 0.129 . 1 . . . A 58 ILE CA . 19632 1 612 . 1 1 58 58 ILE CB C 13 42.447 0.129 . 1 . . . A 58 ILE CB . 19632 1 613 . 1 1 58 58 ILE CG1 C 13 28.176 0.129 . 1 . . . A 58 ILE CG1 . 19632 1 614 . 1 1 58 58 ILE CG2 C 13 19.384 0.129 . 1 . . . A 58 ILE CG2 . 19632 1 615 . 1 1 58 58 ILE CD1 C 13 14.645 0.129 . 1 . . . A 58 ILE CD1 . 19632 1 616 . 1 1 58 58 ILE N N 15 118.503 0.129 . 1 . . . A 58 ILE N . 19632 1 617 . 1 1 59 59 ARG H H 1 9.298 0.006 . 1 . . . A 59 ARG H . 19632 1 618 . 1 1 59 59 ARG HA H 1 5.111 0.006 . 1 . . . A 59 ARG HA . 19632 1 619 . 1 1 59 59 ARG HB2 H 1 2.066 0.006 . 2 . . . A 59 ARG HB2 . 19632 1 620 . 1 1 59 59 ARG HB3 H 1 1.664 0.006 . 2 . . . A 59 ARG HB3 . 19632 1 621 . 1 1 59 59 ARG HG2 H 1 1.646 0.006 . 1 . . . A 59 ARG QG . 19632 1 622 . 1 1 59 59 ARG HG3 H 1 1.646 0.006 . 1 . . . A 59 ARG QG . 19632 1 623 . 1 1 59 59 ARG HD2 H 1 2.891 0.006 . 2 . . . A 59 ARG HD2 . 19632 1 624 . 1 1 59 59 ARG HD3 H 1 2.783 0.006 . 2 . . . A 59 ARG HD3 . 19632 1 625 . 1 1 59 59 ARG HE H 1 8.688 0.006 . 1 . . . A 59 ARG HE . 19632 1 626 . 1 1 59 59 ARG CA C 13 55.839 0.129 . 1 . . . A 59 ARG CA . 19632 1 627 . 1 1 59 59 ARG CB C 13 32.157 0.129 . 1 . . . A 59 ARG CB . 19632 1 628 . 1 1 59 59 ARG CG C 13 28.287 0.129 . 1 . . . A 59 ARG CG . 19632 1 629 . 1 1 59 59 ARG CD C 13 43.760 0.129 . 1 . . . A 59 ARG CD . 19632 1 630 . 1 1 59 59 ARG N N 15 126.283 0.129 . 1 . . . A 59 ARG N . 19632 1 631 . 1 1 60 60 SER H H 1 9.698 0.006 . 1 . . . A 60 SER H . 19632 1 632 . 1 1 60 60 SER HA H 1 3.887 0.006 . 1 . . . A 60 SER HA . 19632 1 633 . 1 1 60 60 SER HB2 H 1 3.739 0.006 . 2 . . . A 60 SER HB2 . 19632 1 634 . 1 1 60 60 SER HB3 H 1 4.351 0.006 . 2 . . . A 60 SER HB3 . 19632 1 635 . 1 1 60 60 SER CA C 13 62.373 0.129 . 1 . . . A 60 SER CA . 19632 1 636 . 1 1 60 60 SER CB C 13 62.777 0.129 . 1 . . . A 60 SER CB . 19632 1 637 . 1 1 60 60 SER N N 15 119.913 0.129 . 1 . . . A 60 SER N . 19632 1 638 . 1 1 61 61 ASP H H 1 8.769 0.006 . 1 . . . A 61 ASP H . 19632 1 639 . 1 1 61 61 ASP HA H 1 4.764 0.006 . 1 . . . A 61 ASP HA . 19632 1 640 . 1 1 61 61 ASP HB2 H 1 2.776 0.006 . 2 . . . A 61 ASP HB2 . 19632 1 641 . 1 1 61 61 ASP HB3 H 1 2.943 0.006 . 2 . . . A 61 ASP HB3 . 19632 1 642 . 1 1 61 61 ASP CA C 13 53.789 0.129 . 1 . . . A 61 ASP CA . 19632 1 643 . 1 1 61 61 ASP CB C 13 40.082 0.129 . 1 . . . A 61 ASP CB . 19632 1 644 . 1 1 61 61 ASP N N 15 117.504 0.129 . 1 . . . A 61 ASP N . 19632 1 645 . 1 1 62 62 GLN H H 1 7.467 0.006 . 1 . . . A 62 GLN H . 19632 1 646 . 1 1 62 62 GLN HA H 1 4.779 0.006 . 1 . . . A 62 GLN HA . 19632 1 647 . 1 1 62 62 GLN HB2 H 1 2.086 0.006 . 2 . . . A 62 GLN HB2 . 19632 1 648 . 1 1 62 62 GLN HB3 H 1 1.744 0.006 . 2 . . . A 62 GLN HB3 . 19632 1 649 . 1 1 62 62 GLN HG2 H 1 2.298 0.006 . 2 . . . A 62 GLN HG2 . 19632 1 650 . 1 1 62 62 GLN HG3 H 1 2.206 0.006 . 2 . . . A 62 GLN HG3 . 19632 1 651 . 1 1 62 62 GLN HE21 H 1 6.721 0.006 . 2 . . . A 62 GLN HE21 . 19632 1 652 . 1 1 62 62 GLN HE22 H 1 6.649 0.006 . 2 . . . A 62 GLN HE22 . 19632 1 653 . 1 1 62 62 GLN CA C 13 54.066 0.129 . 1 . . . A 62 GLN CA . 19632 1 654 . 1 1 62 62 GLN CB C 13 30.309 0.129 . 1 . . . A 62 GLN CB . 19632 1 655 . 1 1 62 62 GLN CG C 13 33.759 0.129 . 1 . . . A 62 GLN CG . 19632 1 656 . 1 1 62 62 GLN N N 15 118.595 0.129 . 1 . . . A 62 GLN N . 19632 1 657 . 1 1 62 62 GLN NE2 N 15 109.979 0.129 . 1 . . . A 62 GLN NE2 . 19632 1 658 . 1 1 63 63 PRO HA H 1 4.662 0.006 . 1 . . . A 63 PRO HA . 19632 1 659 . 1 1 63 63 PRO HB2 H 1 2.222 0.006 . 2 . . . A 63 PRO HB2 . 19632 1 660 . 1 1 63 63 PRO HB3 H 1 2.039 0.006 . 2 . . . A 63 PRO HB3 . 19632 1 661 . 1 1 63 63 PRO HG2 H 1 1.761 0.006 . 2 . . . A 63 PRO HG2 . 19632 1 662 . 1 1 63 63 PRO HG3 H 1 1.351 0.006 . 2 . . . A 63 PRO HG3 . 19632 1 663 . 1 1 63 63 PRO HD2 H 1 3.666 0.006 . 2 . . . A 63 PRO HD2 . 19632 1 664 . 1 1 63 63 PRO HD3 H 1 3.496 0.006 . 2 . . . A 63 PRO HD3 . 19632 1 665 . 1 1 63 63 PRO CB C 13 32.293 0.129 . 1 . . . A 63 PRO CB . 19632 1 666 . 1 1 63 63 PRO CG C 13 27.839 0.129 . 1 . . . A 63 PRO CG . 19632 1 667 . 1 1 63 63 PRO CD C 13 50.300 0.129 . 1 . . . A 63 PRO CD . 19632 1 668 . 1 1 64 64 ASP H H 1 8.389 0.006 . 1 . . . A 64 ASP H . 19632 1 669 . 1 1 64 64 ASP HA H 1 4.662 0.006 . 1 . . . A 64 ASP HA . 19632 1 670 . 1 1 64 64 ASP HB2 H 1 2.636 0.006 . 2 . . . A 64 ASP HB2 . 19632 1 671 . 1 1 64 64 ASP HB3 H 1 2.721 0.006 . 2 . . . A 64 ASP HB3 . 19632 1 672 . 1 1 64 64 ASP CA C 13 54.449 0.129 . 1 . . . A 64 ASP CA . 19632 1 673 . 1 1 64 64 ASP CB C 13 41.201 0.129 . 1 . . . A 64 ASP CB . 19632 1 674 . 1 1 64 64 ASP N N 15 116.697 0.129 . 1 . . . A 64 ASP N . 19632 1 675 . 1 1 65 65 LYS H H 1 7.592 0.006 . 1 . . . A 65 LYS H . 19632 1 676 . 1 1 65 65 LYS HA H 1 4.547 0.006 . 1 . . . A 65 LYS HA . 19632 1 677 . 1 1 65 65 LYS HB2 H 1 1.739 0.006 . 2 . . . A 65 LYS HB2 . 19632 1 678 . 1 1 65 65 LYS HB3 H 1 1.836 0.006 . 2 . . . A 65 LYS HB3 . 19632 1 679 . 1 1 65 65 LYS HG2 H 1 1.338 0.006 . 2 . . . A 65 LYS HG2 . 19632 1 680 . 1 1 65 65 LYS HG3 H 1 1.302 0.006 . 2 . . . A 65 LYS HG3 . 19632 1 681 . 1 1 65 65 LYS HD2 H 1 1.619 0.006 . 1 . . . A 65 LYS QD . 19632 1 682 . 1 1 65 65 LYS HD3 H 1 1.619 0.006 . 1 . . . A 65 LYS QD . 19632 1 683 . 1 1 65 65 LYS HE2 H 1 2.933 0.006 . 1 . . . A 65 LYS QE . 19632 1 684 . 1 1 65 65 LYS HE3 H 1 2.933 0.006 . 1 . . . A 65 LYS QE . 19632 1 685 . 1 1 65 65 LYS CA C 13 55.469 0.129 . 1 . . . A 65 LYS CA . 19632 1 686 . 1 1 65 65 LYS CB C 13 34.796 0.129 . 1 . . . A 65 LYS CB . 19632 1 687 . 1 1 65 65 LYS CG C 13 25.022 0.129 . 1 . . . A 65 LYS CG . 19632 1 688 . 1 1 65 65 LYS CD C 13 29.416 0.129 . 1 . . . A 65 LYS CD . 19632 1 689 . 1 1 65 65 LYS CE C 13 42.675 0.129 . 1 . . . A 65 LYS CE . 19632 1 690 . 1 1 65 65 LYS N N 15 119.781 0.129 . 1 . . . A 65 LYS N . 19632 1 691 . 1 1 66 66 LEU H H 1 8.300 0.006 . 1 . . . A 66 LEU H . 19632 1 692 . 1 1 66 66 LEU HA H 1 4.708 0.006 . 1 . . . A 66 LEU HA . 19632 1 693 . 1 1 66 66 LEU HB2 H 1 1.116 0.006 . 2 . . . A 66 LEU HB2 . 19632 1 694 . 1 1 66 66 LEU HB3 H 1 1.627 0.006 . 2 . . . A 66 LEU HB3 . 19632 1 695 . 1 1 66 66 LEU HG H 1 1.530 0.006 . 1 . . . A 66 LEU HG . 19632 1 696 . 1 1 66 66 LEU HD11 H 1 0.733 0.006 . 1 . . . A 66 LEU QQD . 19632 1 697 . 1 1 66 66 LEU HD12 H 1 0.733 0.006 . 1 . . . A 66 LEU QQD . 19632 1 698 . 1 1 66 66 LEU HD13 H 1 0.733 0.006 . 1 . . . A 66 LEU QQD . 19632 1 699 . 1 1 66 66 LEU HD21 H 1 0.733 0.006 . 1 . . . A 66 LEU QQD . 19632 1 700 . 1 1 66 66 LEU HD22 H 1 0.733 0.006 . 1 . . . A 66 LEU QQD . 19632 1 701 . 1 1 66 66 LEU HD23 H 1 0.733 0.006 . 1 . . . A 66 LEU QQD . 19632 1 702 . 1 1 66 66 LEU CA C 13 54.496 0.129 . 1 . . . A 66 LEU CA . 19632 1 703 . 1 1 66 66 LEU CB C 13 44.010 0.129 . 1 . . . A 66 LEU CB . 19632 1 704 . 1 1 66 66 LEU CG C 13 27.553 0.129 . 1 . . . A 66 LEU CG . 19632 1 705 . 1 1 66 66 LEU CD2 C 13 24.386 0.129 . 2 . . . A 66 LEU CD2 . 19632 1 706 . 1 1 66 66 LEU N N 15 125.131 0.129 . 1 . . . A 66 LEU N . 19632 1 707 . 1 1 67 67 ILE H H 1 9.427 0.006 . 1 . . . A 67 ILE H . 19632 1 708 . 1 1 67 67 ILE HA H 1 4.447 0.006 . 1 . . . A 67 ILE HA . 19632 1 709 . 1 1 67 67 ILE HB H 1 1.629 0.006 . 1 . . . A 67 ILE HB . 19632 1 710 . 1 1 67 67 ILE HG12 H 1 1.389 0.006 . 2 . . . A 67 ILE HG12 . 19632 1 711 . 1 1 67 67 ILE HG13 H 1 0.972 0.006 . 2 . . . A 67 ILE HG13 . 19632 1 712 . 1 1 67 67 ILE HG21 H 1 0.970 0.006 . 1 . . . A 67 ILE QG2 . 19632 1 713 . 1 1 67 67 ILE HG22 H 1 0.970 0.006 . 1 . . . A 67 ILE QG2 . 19632 1 714 . 1 1 67 67 ILE HG23 H 1 0.970 0.006 . 1 . . . A 67 ILE QG2 . 19632 1 715 . 1 1 67 67 ILE HD11 H 1 0.683 0.006 . 1 . . . A 67 ILE QD1 . 19632 1 716 . 1 1 67 67 ILE HD12 H 1 0.683 0.006 . 1 . . . A 67 ILE QD1 . 19632 1 717 . 1 1 67 67 ILE HD13 H 1 0.683 0.006 . 1 . . . A 67 ILE QD1 . 19632 1 718 . 1 1 67 67 ILE CA C 13 57.824 0.129 . 1 . . . A 67 ILE CA . 19632 1 719 . 1 1 67 67 ILE CB C 13 40.744 0.129 . 1 . . . A 67 ILE CB . 19632 1 720 . 1 1 67 67 ILE CG1 C 13 27.267 0.129 . 1 . . . A 67 ILE CG1 . 19632 1 721 . 1 1 67 67 ILE CG2 C 13 19.350 0.129 . 1 . . . A 67 ILE CG2 . 19632 1 722 . 1 1 67 67 ILE CD1 C 13 14.295 0.129 . 1 . . . A 67 ILE CD1 . 19632 1 723 . 1 1 67 67 ILE N N 15 124.524 0.129 . 1 . . . A 67 ILE N . 19632 1 724 . 1 1 68 68 PRO HA H 1 4.649 0.006 . 1 . . . A 68 PRO HA . 19632 1 725 . 1 1 68 68 PRO HB2 H 1 1.763 0.006 . 1 . . . A 68 PRO QB . 19632 1 726 . 1 1 68 68 PRO HB3 H 1 1.763 0.006 . 1 . . . A 68 PRO QB . 19632 1 727 . 1 1 68 68 PRO HG2 H 1 1.910 0.006 . 2 . . . A 68 PRO HG2 . 19632 1 728 . 1 1 68 68 PRO HG3 H 1 1.996 0.006 . 2 . . . A 68 PRO HG3 . 19632 1 729 . 1 1 68 68 PRO HD2 H 1 3.481 0.006 . 2 . . . A 68 PRO HD2 . 19632 1 730 . 1 1 68 68 PRO HD3 H 1 3.648 0.006 . 2 . . . A 68 PRO HD3 . 19632 1 731 . 1 1 68 68 PRO CB C 13 32.644 0.129 . 1 . . . A 68 PRO CB . 19632 1 732 . 1 1 68 68 PRO CG C 13 27.372 0.129 . 1 . . . A 68 PRO CG . 19632 1 733 . 1 1 68 68 PRO CD C 13 50.668 0.129 . 1 . . . A 68 PRO CD . 19632 1 734 . 1 1 69 69 GLN H H 1 8.386 0.006 . 1 . . . A 69 GLN H . 19632 1 735 . 1 1 69 69 GLN HA H 1 3.730 0.006 . 1 . . . A 69 GLN HA . 19632 1 736 . 1 1 69 69 GLN HB2 H 1 2.299 0.006 . 2 . . . A 69 GLN HB2 . 19632 1 737 . 1 1 69 69 GLN HB3 H 1 2.136 0.006 . 2 . . . A 69 GLN HB3 . 19632 1 738 . 1 1 69 69 GLN HG2 H 1 2.286 0.006 . 2 . . . A 69 GLN HG2 . 19632 1 739 . 1 1 69 69 GLN HG3 H 1 2.138 0.006 . 2 . . . A 69 GLN HG3 . 19632 1 740 . 1 1 69 69 GLN HE21 H 1 7.362 0.006 . 2 . . . A 69 GLN HE21 . 19632 1 741 . 1 1 69 69 GLN HE22 H 1 7.304 0.006 . 2 . . . A 69 GLN HE22 . 19632 1 742 . 1 1 69 69 GLN CA C 13 59.447 0.129 . 1 . . . A 69 GLN CA . 19632 1 743 . 1 1 69 69 GLN CB C 13 28.819 0.129 . 1 . . . A 69 GLN CB . 19632 1 744 . 1 1 69 69 GLN CG C 13 33.846 0.129 . 1 . . . A 69 GLN CG . 19632 1 745 . 1 1 69 69 GLN N N 15 119.126 0.129 . 1 . . . A 69 GLN N . 19632 1 746 . 1 1 69 69 GLN NE2 N 15 109.965 0.129 . 1 . . . A 69 GLN NE2 . 19632 1 747 . 1 1 70 70 TRP H H 1 6.972 0.006 . 1 . . . A 70 TRP H . 19632 1 748 . 1 1 70 70 TRP HA H 1 4.525 0.006 . 1 . . . A 70 TRP HA . 19632 1 749 . 1 1 70 70 TRP HB2 H 1 3.302 0.006 . 2 . . . A 70 TRP HB2 . 19632 1 750 . 1 1 70 70 TRP HB3 H 1 3.442 0.006 . 2 . . . A 70 TRP HB3 . 19632 1 751 . 1 1 70 70 TRP HD1 H 1 7.314 0.006 . 1 . . . A 70 TRP HD1 . 19632 1 752 . 1 1 70 70 TRP HE1 H 1 10.378 0.006 . 1 . . . A 70 TRP HE1 . 19632 1 753 . 1 1 70 70 TRP HE3 H 1 7.570 0.006 . 1 . . . A 70 TRP HE3 . 19632 1 754 . 1 1 70 70 TRP HZ2 H 1 7.515 0.006 . 1 . . . A 70 TRP HZ2 . 19632 1 755 . 1 1 70 70 TRP HZ3 H 1 7.250 0.006 . 1 . . . A 70 TRP HZ3 . 19632 1 756 . 1 1 70 70 TRP HH2 H 1 7.198 0.006 . 1 . . . A 70 TRP HH2 . 19632 1 757 . 1 1 70 70 TRP CA C 13 58.197 0.129 . 1 . . . A 70 TRP CA . 19632 1 758 . 1 1 70 70 TRP CB C 13 28.016 0.129 . 1 . . . A 70 TRP CB . 19632 1 759 . 1 1 70 70 TRP CD1 C 13 128.062 0.129 . 1 . . . A 70 TRP CD1 . 19632 1 760 . 1 1 70 70 TRP CE3 C 13 120.845 0.129 . 1 . . . A 70 TRP CE3 . 19632 1 761 . 1 1 70 70 TRP CZ2 C 13 115.600 0.129 . 1 . . . A 70 TRP CZ2 . 19632 1 762 . 1 1 70 70 TRP CZ3 C 13 125.768 0.129 . 1 . . . A 70 TRP CZ3 . 19632 1 763 . 1 1 70 70 TRP CH2 C 13 123.178 0.129 . 1 . . . A 70 TRP CH2 . 19632 1 764 . 1 1 70 70 TRP N N 15 112.076 0.129 . 1 . . . A 70 TRP N . 19632 1 765 . 1 1 70 70 TRP NE1 N 15 130.633 0.129 . 1 . . . A 70 TRP NE1 . 19632 1 766 . 1 1 71 71 GLU H H 1 7.386 0.006 . 1 . . . A 71 GLU H . 19632 1 767 . 1 1 71 71 GLU HA H 1 4.249 0.006 . 1 . . . A 71 GLU HA . 19632 1 768 . 1 1 71 71 GLU HB2 H 1 1.902 0.006 . 2 . . . A 71 GLU HB2 . 19632 1 769 . 1 1 71 71 GLU HB3 H 1 1.302 0.006 . 2 . . . A 71 GLU HB3 . 19632 1 770 . 1 1 71 71 GLU HG2 H 1 1.902 0.006 . 2 . . . A 71 GLU HG2 . 19632 1 771 . 1 1 71 71 GLU HG3 H 1 1.802 0.006 . 2 . . . A 71 GLU HG3 . 19632 1 772 . 1 1 71 71 GLU CA C 13 56.654 0.129 . 1 . . . A 71 GLU CA . 19632 1 773 . 1 1 71 71 GLU CB C 13 30.938 0.129 . 1 . . . A 71 GLU CB . 19632 1 774 . 1 1 71 71 GLU CG C 13 36.678 0.129 . 1 . . . A 71 GLU CG . 19632 1 775 . 1 1 71 71 GLU N N 15 119.388 0.129 . 1 . . . A 71 GLU N . 19632 1 776 . 1 1 72 72 ILE H H 1 6.754 0.006 . 1 . . . A 72 ILE H . 19632 1 777 . 1 1 72 72 ILE HA H 1 3.324 0.006 . 1 . . . A 72 ILE HA . 19632 1 778 . 1 1 72 72 ILE HB H 1 1.170 0.006 . 1 . . . A 72 ILE HB . 19632 1 779 . 1 1 72 72 ILE HG12 H 1 0.607 0.006 . 2 . . . A 72 ILE HG12 . 19632 1 780 . 1 1 72 72 ILE HG13 H 1 0.414 0.006 . 2 . . . A 72 ILE HG13 . 19632 1 781 . 1 1 72 72 ILE HG21 H 1 0.079 0.006 . 1 . . . A 72 ILE QG2 . 19632 1 782 . 1 1 72 72 ILE HG22 H 1 0.079 0.006 . 1 . . . A 72 ILE QG2 . 19632 1 783 . 1 1 72 72 ILE HG23 H 1 0.079 0.006 . 1 . . . A 72 ILE QG2 . 19632 1 784 . 1 1 72 72 ILE HD11 H 1 -0.052 0.006 . 1 . . . A 72 ILE QD1 . 19632 1 785 . 1 1 72 72 ILE HD12 H 1 -0.052 0.006 . 1 . . . A 72 ILE QD1 . 19632 1 786 . 1 1 72 72 ILE HD13 H 1 -0.052 0.006 . 1 . . . A 72 ILE QD1 . 19632 1 787 . 1 1 72 72 ILE CA C 13 64.205 0.129 . 1 . . . A 72 ILE CA . 19632 1 788 . 1 1 72 72 ILE CB C 13 38.012 0.129 . 1 . . . A 72 ILE CB . 19632 1 789 . 1 1 72 72 ILE CG1 C 13 25.715 0.129 . 1 . . . A 72 ILE CG1 . 19632 1 790 . 1 1 72 72 ILE CG2 C 13 17.740 0.129 . 1 . . . A 72 ILE CG2 . 19632 1 791 . 1 1 72 72 ILE CD1 C 13 14.235 0.129 . 1 . . . A 72 ILE CD1 . 19632 1 792 . 1 1 72 72 ILE N N 15 115.759 0.129 . 1 . . . A 72 ILE N . 19632 1 793 . 1 1 73 73 PHE H H 1 7.388 0.006 . 1 . . . A 73 PHE H . 19632 1 794 . 1 1 73 73 PHE HA H 1 4.248 0.006 . 1 . . . A 73 PHE HA . 19632 1 795 . 1 1 73 73 PHE HB2 H 1 2.597 0.006 . 2 . . . A 73 PHE HB2 . 19632 1 796 . 1 1 73 73 PHE HB3 H 1 3.046 0.006 . 2 . . . A 73 PHE HB3 . 19632 1 797 . 1 1 73 73 PHE HD1 H 1 7.041 0.006 . 3 . . . A 73 PHE QD . 19632 1 798 . 1 1 73 73 PHE HD2 H 1 7.041 0.006 . 3 . . . A 73 PHE QD . 19632 1 799 . 1 1 73 73 PHE CA C 13 56.514 0.129 . 1 . . . A 73 PHE CA . 19632 1 800 . 1 1 73 73 PHE CB C 13 38.479 0.129 . 1 . . . A 73 PHE CB . 19632 1 801 . 1 1 73 73 PHE CD2 C 13 131.904 0.129 . 3 . . . A 73 PHE CD2 . 19632 1 802 . 1 1 73 73 PHE N N 15 115.942 0.129 . 1 . . . A 73 PHE N . 19632 1 803 . 1 1 74 74 SER H H 1 7.203 0.006 . 1 . . . A 74 SER H . 19632 1 804 . 1 1 74 74 SER HA H 1 4.358 0.006 . 1 . . . A 74 SER HA . 19632 1 805 . 1 1 74 74 SER HB2 H 1 3.787 0.006 . 2 . . . A 74 SER HB2 . 19632 1 806 . 1 1 74 74 SER HB3 H 1 3.762 0.006 . 2 . . . A 74 SER HB3 . 19632 1 807 . 1 1 74 74 SER CA C 13 58.265 0.129 . 1 . . . A 74 SER CA . 19632 1 808 . 1 1 74 74 SER CB C 13 63.783 0.129 . 1 . . . A 74 SER CB . 19632 1 809 . 1 1 74 74 SER N N 15 114.787 0.129 . 1 . . . A 74 SER N . 19632 1 810 . 1 1 75 75 TRP H H 1 7.370 0.006 . 1 . . . A 75 TRP H . 19632 1 811 . 1 1 75 75 TRP HA H 1 4.483 0.006 . 1 . . . A 75 TRP HA . 19632 1 812 . 1 1 75 75 TRP HB2 H 1 3.294 0.006 . 2 . . . A 75 TRP HB2 . 19632 1 813 . 1 1 75 75 TRP HB3 H 1 3.115 0.006 . 2 . . . A 75 TRP HB3 . 19632 1 814 . 1 1 75 75 TRP HD1 H 1 7.124 0.006 . 1 . . . A 75 TRP HD1 . 19632 1 815 . 1 1 75 75 TRP HE1 H 1 9.975 0.006 . 1 . . . A 75 TRP HE1 . 19632 1 816 . 1 1 75 75 TRP HE3 H 1 7.562 0.006 . 1 . . . A 75 TRP HE3 . 19632 1 817 . 1 1 75 75 TRP HZ2 H 1 7.265 0.006 . 1 . . . A 75 TRP HZ2 . 19632 1 818 . 1 1 75 75 TRP HZ3 H 1 6.944 0.006 . 1 . . . A 75 TRP HZ3 . 19632 1 819 . 1 1 75 75 TRP HH2 H 1 6.976 0.006 . 1 . . . A 75 TRP HH2 . 19632 1 820 . 1 1 75 75 TRP CA C 13 58.454 0.129 . 1 . . . A 75 TRP CA . 19632 1 821 . 1 1 75 75 TRP CB C 13 30.467 0.129 . 1 . . . A 75 TRP CB . 19632 1 822 . 1 1 75 75 TRP CD1 C 13 127.318 0.129 . 1 . . . A 75 TRP CD1 . 19632 1 823 . 1 1 75 75 TRP CE3 C 13 121.809 0.129 . 1 . . . A 75 TRP CE3 . 19632 1 824 . 1 1 75 75 TRP CZ2 C 13 114.631 0.129 . 1 . . . A 75 TRP CZ2 . 19632 1 825 . 1 1 75 75 TRP CZ3 C 13 124.343 0.129 . 1 . . . A 75 TRP CZ3 . 19632 1 826 . 1 1 75 75 TRP CH2 C 13 121.993 0.129 . 1 . . . A 75 TRP CH2 . 19632 1 827 . 1 1 75 75 TRP N N 15 127.156 0.129 . 1 . . . A 75 TRP N . 19632 1 828 . 1 1 75 75 TRP NE1 N 15 128.064 0.129 . 1 . . . A 75 TRP NE1 . 19632 1 stop_ save_