data_18442 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18442 _Entry.Title ; Solution structure of the R. rickettsii cold shock-like protein ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-05-04 _Entry.Accession_date 2012-05-04 _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 C. Veldkamp . T. . 18442 2 F. Peterson . C. . 18442 3 K. Gerarden . P. . 18442 4 A. Fuchs . M. . 18442 5 J. Koch . M. . 18442 6 M. Mueller . M. . 18442 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18442 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'cold shock-like protein' . 18442 'cold shock protein' . 18442 CSD . 18442 Csp . 18442 rickettsii . 18442 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18442 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 293 18442 '15N chemical shifts' 77 18442 '1H chemical shifts' 489 18442 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-05-22 2012-05-04 update BMRB 'update entry citation' 18442 1 . . 2012-06-05 2012-05-04 original author 'original release' 18442 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LSS 'BMRB Entry Tracking System' 18442 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 18442 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23143233 _Citation.Full_citation . _Citation.Title 'Solution structure of the cold-shock-like protein from Rickettsia rickettsii.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'Acta Crystallogr. Sect. F Struct. Biol. Cryst. Commun.' _Citation.Journal_name_full 'Acta crystallographica. Section F, Structural biology and crystallization communications' _Citation.Journal_volume 68 _Citation.Journal_issue 'Pt 11' _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 1284 _Citation.Page_last 1288 _Citation.Year 2012 _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 Kyle Gerarden . P. . 18442 1 2 Andrew Fuchs . M. . 18442 1 3 Jonathan Koch . M. . 18442 1 4 Melissa Mueller . M. . 18442 1 5 David Graupner . R. . 18442 1 6 Justin Frost . T. . 18442 1 7 Caleb Heinen . D. . 18442 1 8 Heather Lackner . A. . 18442 1 9 Emily Schoeller . R. . 18442 1 10 Scott House . J. . 18442 1 11 Paul Peterson . G. . 18442 1 12 Francis Veldkamp . C. . 18442 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18442 _Assembly.ID 1 _Assembly.Name 'R. rickettsii cold shock-like protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 'R. rickettsii cold shock-like protein' 1 $cold_shock-like_protein A . yes native no no . . . 18442 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_cold_shock-like_protein _Entity.Sf_category entity _Entity.Sf_framecode cold_shock-like_protein _Entity.Entry_ID 18442 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name cold_shock-like_protein_[Rickettsia_rickettsii_str._'Sheila_Smith']_ _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 ; MATNIVGKVKWYNSTKNFGF IEQDNGGKDVFVHKSAVDAA GLHSLEEGQDVIFDLEEKQG KAYAVNLRIK ; _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 70 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment Rr-Csp _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7781.821 _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 2LSS . "Solution Structure Of The R. Rickettsii Cold Shock-like Protein" . . . . . 100.00 70 100.00 100.00 5.96e-42 . . . . 18442 1 2 no DBJ BAK96972 . "cold shock-like protein [Rickettsia japonica YH]" . . . . . 100.00 70 98.57 100.00 2.20e-41 . . . . 18442 1 3 no EMBL CDI29705 . "Cold shock-like protein 7.0 [Rickettsia monacensis IrR/Munich]" . . . . . 100.00 70 98.57 100.00 2.20e-41 . . . . 18442 1 4 no EMBL CEO18020 . "Cold shock protein CspA [Rickettsia monacensis]" . . . . . 100.00 70 98.57 100.00 2.20e-41 . . . . 18442 1 5 no GB AAL03559 . "cold shock-like protein [Rickettsia conorii str. Malish 7]" . . . . . 100.00 70 100.00 100.00 5.96e-42 . . . . 18442 1 6 no GB AAY61113 . "Cold shock-like protein [Rickettsia felis URRWXCal2]" . . . . . 100.00 70 97.14 98.57 4.42e-40 . . . . 18442 1 7 no GB ABV76609 . "cold shock-like protein [Rickettsia rickettsii str. 'Sheila Smith']" . . . . . 100.00 70 100.00 100.00 5.96e-42 . . . . 18442 1 8 no GB ABV85095 . "Cold shock-like protein [Rickettsia massiliae MTU5]" . . . . . 100.00 80 97.14 100.00 6.03e-41 . . . . 18442 1 9 no GB ABY72984 . "cold shock protein [Rickettsia rickettsii str. Iowa]" . . . . . 100.00 70 100.00 100.00 5.96e-42 . . . . 18442 1 10 no REF WP_004997759 . "MULTISPECIES: cold-shock protein CspA [spotted fever group]" . . . . . 100.00 70 100.00 100.00 5.96e-42 . . . . 18442 1 11 no REF WP_008579233 . "MULTISPECIES: cold-shock protein CspA [Rickettsia]" . . . . . 100.00 70 98.57 100.00 2.20e-41 . . . . 18442 1 12 no REF WP_011270614 . "cold-shock protein CspA [Rickettsia felis]" . . . . . 100.00 70 97.14 98.57 4.42e-40 . . . . 18442 1 13 no REF WP_014014650 . "cold-shock protein [Rickettsia heilongjiangensis]" . . . . . 100.00 70 97.14 98.57 1.94e-40 . . . . 18442 1 14 no REF WP_014365526 . "MULTISPECIES: cold-shock protein [spotted fever group]" . . . . . 100.00 70 97.14 98.57 1.20e-40 . . . . 18442 1 15 no SP Q4UMU5 . "RecName: Full=Cold shock-like protein CspA" . . . . . 100.00 70 97.14 98.57 4.42e-40 . . . . 18442 1 16 no SP Q92GV1 . "RecName: Full=Cold shock-like protein CspA" . . . . . 100.00 70 100.00 100.00 5.96e-42 . . . . 18442 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 18442 1 2 . ALA . 18442 1 3 . THR . 18442 1 4 . ASN . 18442 1 5 . ILE . 18442 1 6 . VAL . 18442 1 7 . GLY . 18442 1 8 . LYS . 18442 1 9 . VAL . 18442 1 10 . LYS . 18442 1 11 . TRP . 18442 1 12 . TYR . 18442 1 13 . ASN . 18442 1 14 . SER . 18442 1 15 . THR . 18442 1 16 . LYS . 18442 1 17 . ASN . 18442 1 18 . PHE . 18442 1 19 . GLY . 18442 1 20 . PHE . 18442 1 21 . ILE . 18442 1 22 . GLU . 18442 1 23 . GLN . 18442 1 24 . ASP . 18442 1 25 . ASN . 18442 1 26 . GLY . 18442 1 27 . GLY . 18442 1 28 . LYS . 18442 1 29 . ASP . 18442 1 30 . VAL . 18442 1 31 . PHE . 18442 1 32 . VAL . 18442 1 33 . HIS . 18442 1 34 . LYS . 18442 1 35 . SER . 18442 1 36 . ALA . 18442 1 37 . VAL . 18442 1 38 . ASP . 18442 1 39 . ALA . 18442 1 40 . ALA . 18442 1 41 . GLY . 18442 1 42 . LEU . 18442 1 43 . HIS . 18442 1 44 . SER . 18442 1 45 . LEU . 18442 1 46 . GLU . 18442 1 47 . GLU . 18442 1 48 . GLY . 18442 1 49 . GLN . 18442 1 50 . ASP . 18442 1 51 . VAL . 18442 1 52 . ILE . 18442 1 53 . PHE . 18442 1 54 . ASP . 18442 1 55 . LEU . 18442 1 56 . GLU . 18442 1 57 . GLU . 18442 1 58 . LYS . 18442 1 59 . GLN . 18442 1 60 . GLY . 18442 1 61 . LYS . 18442 1 62 . ALA . 18442 1 63 . TYR . 18442 1 64 . ALA . 18442 1 65 . VAL . 18442 1 66 . ASN . 18442 1 67 . LEU . 18442 1 68 . ARG . 18442 1 69 . ILE . 18442 1 70 . LYS . 18442 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 18442 1 . ALA 2 2 18442 1 . THR 3 3 18442 1 . ASN 4 4 18442 1 . ILE 5 5 18442 1 . VAL 6 6 18442 1 . GLY 7 7 18442 1 . LYS 8 8 18442 1 . VAL 9 9 18442 1 . LYS 10 10 18442 1 . TRP 11 11 18442 1 . TYR 12 12 18442 1 . ASN 13 13 18442 1 . SER 14 14 18442 1 . THR 15 15 18442 1 . LYS 16 16 18442 1 . ASN 17 17 18442 1 . PHE 18 18 18442 1 . GLY 19 19 18442 1 . PHE 20 20 18442 1 . ILE 21 21 18442 1 . GLU 22 22 18442 1 . GLN 23 23 18442 1 . ASP 24 24 18442 1 . ASN 25 25 18442 1 . GLY 26 26 18442 1 . GLY 27 27 18442 1 . LYS 28 28 18442 1 . ASP 29 29 18442 1 . VAL 30 30 18442 1 . PHE 31 31 18442 1 . VAL 32 32 18442 1 . HIS 33 33 18442 1 . LYS 34 34 18442 1 . SER 35 35 18442 1 . ALA 36 36 18442 1 . VAL 37 37 18442 1 . ASP 38 38 18442 1 . ALA 39 39 18442 1 . ALA 40 40 18442 1 . GLY 41 41 18442 1 . LEU 42 42 18442 1 . HIS 43 43 18442 1 . SER 44 44 18442 1 . LEU 45 45 18442 1 . GLU 46 46 18442 1 . GLU 47 47 18442 1 . GLY 48 48 18442 1 . GLN 49 49 18442 1 . ASP 50 50 18442 1 . VAL 51 51 18442 1 . ILE 52 52 18442 1 . PHE 53 53 18442 1 . ASP 54 54 18442 1 . LEU 55 55 18442 1 . GLU 56 56 18442 1 . GLU 57 57 18442 1 . LYS 58 58 18442 1 . GLN 59 59 18442 1 . GLY 60 60 18442 1 . LYS 61 61 18442 1 . ALA 62 62 18442 1 . TYR 63 63 18442 1 . ALA 64 64 18442 1 . VAL 65 65 18442 1 . ASN 66 66 18442 1 . LEU 67 67 18442 1 . ARG 68 68 18442 1 . ILE 69 69 18442 1 . LYS 70 70 18442 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 18442 _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 $cold_shock-like_protein . 562 organism . 'Escherichia coli' 'E. coli' . . Bacteria . Escherichia coli . . . . . . . . . . . . . . . . . . . . . 18442 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 18442 _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 $cold_shock-like_protein . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli 'BL21 DE3' . . . . . . . . . . . . . . . pET28a-SUMO . . . 'pET28a plasmid containing SUMO fusion protein that is N-terminal to the sequence coding for the protein of interest' . . 18442 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample _Sample.Sf_category sample _Sample.Sf_framecode sample _Sample.Entry_ID 18442 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '1.50 mM Rr-Csp U-15N/13C pH 6.0 20mM sodium phosphate buffer, 50 mM sodium chloride' _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O, 10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 '[U-100% 13C; U-100% 15N]' 'natural abundance' . . 1 $cold_shock-like_protein . . 1.5 . . mM . . . . 18442 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18442 1 3 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18442 1 4 'sodium azide' 'natural abundance' . . . . . . 0.02 . . % . . . . 18442 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18442 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18442 1 stop_ save_ ####################### # Sample conditions # ####################### save_sample_conditions_1 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_1 _Sample_condition_list.Entry_ID 18442 _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' 200 . mM 18442 1 pH 6.0 . pH 18442 1 pressure 1 . atm 18442 1 temperature 298 . K 18442 1 stop_ save_ ############################ # Computer software used # ############################ save_Xplor-NIH _Software.Sf_category software _Software.Sf_framecode Xplor-NIH _Software.Entry_ID 18442 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.9.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID SCHWIETERS,C.D.,KUSZEWSKI,J.J.,TJANDRA,N.,CLORE,G.M. . . 18442 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18442 1 stop_ save_ save_TopSpin _Software.Sf_category software _Software.Sf_framecode TopSpin _Software.Entry_ID 18442 _Software.ID 2 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Bruker . . 18442 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18442 2 stop_ save_ save_nmrPipe _Software.Sf_category software _Software.Sf_framecode nmrPipe _Software.Entry_ID 18442 _Software.ID 3 _Software.Name NMRPipe _Software.Version 2007 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delagio,F. et al.' . . 18442 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18442 3 stop_ save_ save_XEASY _Software.Sf_category software _Software.Sf_framecode XEASY _Software.Entry_ID 18442 _Software.ID 4 _Software.Name XEASY _Software.Version 1.3 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Eccles, C., Guntert, P., Billeter, M., Wuthrich, K.' . . 18442 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18442 4 stop_ save_ save_GARANT _Software.Sf_category software _Software.Sf_framecode GARANT _Software.Entry_ID 18442 _Software.ID 5 _Software.Name GARANT _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'C. Bartels' . . 18442 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18442 5 stop_ save_ save_Cyana _Software.Sf_category software _Software.Sf_framecode Cyana _Software.Entry_ID 18442 _Software.ID 6 _Software.Name CYANA _Software.Version 3.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, P.' . . 18442 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structural calculation' 18442 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18442 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 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 18442 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 500 . . . 18442 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 18442 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 3D_15N-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18442 1 2 3D_13C-separated_NOESY no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18442 1 3 '3D_13C-separated_NOESY (AROMATIC)' no . . . . . . . . . . 1 $sample isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18442 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 18442 _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 . . . . . . . . . 18442 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18442 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18442 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 18442 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 3D_15N-separated_NOESY . . . 18442 1 2 3D_13C-separated_NOESY . . . 18442 1 3 '3D_13C-separated_NOESY (AROMATIC)' . . . 18442 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 ALA HA H 1 4.687 0.020 . 1 . . . A 2 ALA HA . 18442 1 2 . 1 1 2 2 ALA HB1 H 1 1.518 0.020 . 1 . . . A 2 ALA QB . 18442 1 3 . 1 1 2 2 ALA HB2 H 1 1.518 0.020 . 1 . . . A 2 ALA QB . 18442 1 4 . 1 1 2 2 ALA HB3 H 1 1.518 0.020 . 1 . . . A 2 ALA QB . 18442 1 5 . 1 1 2 2 ALA C C 13 176.000 0.100 . 1 . . . A 2 ALA C . 18442 1 6 . 1 1 2 2 ALA CA C 13 52.442 0.100 . 1 . . . A 2 ALA CA . 18442 1 7 . 1 1 2 2 ALA CB C 13 20.225 0.100 . 1 . . . A 2 ALA CB . 18442 1 8 . 1 1 3 3 THR H H 1 7.956 0.020 . 1 . . . A 3 THR H . 18442 1 9 . 1 1 3 3 THR HA H 1 4.792 0.020 . 1 . . . A 3 THR HA . 18442 1 10 . 1 1 3 3 THR HB H 1 4.096 0.020 . 1 . . . A 3 THR HB . 18442 1 11 . 1 1 3 3 THR HG21 H 1 1.090 0.020 . 1 . . . A 3 THR QG2 . 18442 1 12 . 1 1 3 3 THR HG22 H 1 1.090 0.020 . 1 . . . A 3 THR QG2 . 18442 1 13 . 1 1 3 3 THR HG23 H 1 1.090 0.020 . 1 . . . A 3 THR QG2 . 18442 1 14 . 1 1 3 3 THR C C 13 173.794 0.100 . 1 . . . A 3 THR C . 18442 1 15 . 1 1 3 3 THR CA C 13 59.089 0.100 . 1 . . . A 3 THR CA . 18442 1 16 . 1 1 3 3 THR CB C 13 72.498 0.100 . 1 . . . A 3 THR CB . 18442 1 17 . 1 1 3 3 THR CG2 C 13 22.432 0.100 . 1 . . . A 3 THR CG2 . 18442 1 18 . 1 1 3 3 THR N N 15 110.168 0.100 . 1 . . . A 3 THR N . 18442 1 19 . 1 1 4 4 ASN H H 1 9.386 0.020 . 1 . . . A 4 ASN H . 18442 1 20 . 1 1 4 4 ASN HA H 1 3.871 0.020 . 1 . . . A 4 ASN HA . 18442 1 21 . 1 1 4 4 ASN HB2 H 1 2.995 0.020 . 2 . . . A 4 ASN HB2 . 18442 1 22 . 1 1 4 4 ASN HB3 H 1 2.759 0.020 . 2 . . . A 4 ASN HB3 . 18442 1 23 . 1 1 4 4 ASN HD21 H 1 7.590 0.020 . 2 . . . A 4 ASN HD21 . 18442 1 24 . 1 1 4 4 ASN HD22 H 1 6.966 0.020 . 2 . . . A 4 ASN HD22 . 18442 1 25 . 1 1 4 4 ASN C C 13 173.681 0.100 . 1 . . . A 4 ASN C . 18442 1 26 . 1 1 4 4 ASN CA C 13 54.082 0.100 . 1 . . . A 4 ASN CA . 18442 1 27 . 1 1 4 4 ASN CB C 13 36.408 0.100 . 1 . . . A 4 ASN CB . 18442 1 28 . 1 1 4 4 ASN N N 15 118.442 0.100 . 1 . . . A 4 ASN N . 18442 1 29 . 1 1 4 4 ASN ND2 N 15 114.639 0.100 . 1 . . . A 4 ASN ND2 . 18442 1 30 . 1 1 5 5 ILE H H 1 9.014 0.020 . 1 . . . A 5 ILE H . 18442 1 31 . 1 1 5 5 ILE HA H 1 3.753 0.020 . 1 . . . A 5 ILE HA . 18442 1 32 . 1 1 5 5 ILE HB H 1 0.427 0.020 . 1 . . . A 5 ILE HB . 18442 1 33 . 1 1 5 5 ILE HG12 H 1 0.815 0.020 . 2 . . . A 5 ILE HG12 . 18442 1 34 . 1 1 5 5 ILE HG13 H 1 0.980 0.020 . 2 . . . A 5 ILE HG13 . 18442 1 35 . 1 1 5 5 ILE HG21 H 1 0.717 0.020 . 1 . . . A 5 ILE QG2 . 18442 1 36 . 1 1 5 5 ILE HG22 H 1 0.717 0.020 . 1 . . . A 5 ILE QG2 . 18442 1 37 . 1 1 5 5 ILE HG23 H 1 0.717 0.020 . 1 . . . A 5 ILE QG2 . 18442 1 38 . 1 1 5 5 ILE HD11 H 1 0.587 0.020 . 1 . . . A 5 ILE QD1 . 18442 1 39 . 1 1 5 5 ILE HD12 H 1 0.587 0.020 . 1 . . . A 5 ILE QD1 . 18442 1 40 . 1 1 5 5 ILE HD13 H 1 0.587 0.020 . 1 . . . A 5 ILE QD1 . 18442 1 41 . 1 1 5 5 ILE C C 13 174.173 0.100 . 1 . . . A 5 ILE C . 18442 1 42 . 1 1 5 5 ILE CA C 13 60.495 0.100 . 1 . . . A 5 ILE CA . 18442 1 43 . 1 1 5 5 ILE CB C 13 37.366 0.100 . 1 . . . A 5 ILE CB . 18442 1 44 . 1 1 5 5 ILE CG1 C 13 27.330 0.100 . 1 . . . A 5 ILE CG1 . 18442 1 45 . 1 1 5 5 ILE CG2 C 13 19.868 0.100 . 1 . . . A 5 ILE CG2 . 18442 1 46 . 1 1 5 5 ILE CD1 C 13 13.348 0.100 . 1 . . . A 5 ILE CD1 . 18442 1 47 . 1 1 5 5 ILE N N 15 122.631 0.100 . 1 . . . A 5 ILE N . 18442 1 48 . 1 1 6 6 VAL H H 1 7.855 0.020 . 1 . . . A 6 VAL H . 18442 1 49 . 1 1 6 6 VAL HA H 1 4.754 0.020 . 1 . . . A 6 VAL HA . 18442 1 50 . 1 1 6 6 VAL HB H 1 2.025 0.020 . 1 . . . A 6 VAL HB . 18442 1 51 . 1 1 6 6 VAL HG11 H 1 1.006 0.020 . 1 . . . A 6 VAL QG1 . 18442 1 52 . 1 1 6 6 VAL HG12 H 1 1.006 0.020 . 1 . . . A 6 VAL QG1 . 18442 1 53 . 1 1 6 6 VAL HG13 H 1 1.006 0.020 . 1 . . . A 6 VAL QG1 . 18442 1 54 . 1 1 6 6 VAL HG21 H 1 1.006 0.020 . 1 . . . A 6 VAL QG2 . 18442 1 55 . 1 1 6 6 VAL HG22 H 1 1.006 0.020 . 1 . . . A 6 VAL QG2 . 18442 1 56 . 1 1 6 6 VAL HG23 H 1 1.006 0.020 . 1 . . . A 6 VAL QG2 . 18442 1 57 . 1 1 6 6 VAL C C 13 176.823 0.100 . 1 . . . A 6 VAL C . 18442 1 58 . 1 1 6 6 VAL CA C 13 61.460 0.100 . 1 . . . A 6 VAL CA . 18442 1 59 . 1 1 6 6 VAL CB C 13 32.841 0.100 . 1 . . . A 6 VAL CB . 18442 1 60 . 1 1 6 6 VAL CG1 C 13 21.898 0.100 . 2 . . . A 6 VAL CG1 . 18442 1 61 . 1 1 6 6 VAL N N 15 122.517 0.100 . 1 . . . A 6 VAL N . 18442 1 62 . 1 1 7 7 GLY H H 1 9.056 0.020 . 1 . . . A 7 GLY H . 18442 1 63 . 1 1 7 7 GLY HA2 H 1 3.957 0.020 . 2 . . . A 7 GLY HA2 . 18442 1 64 . 1 1 7 7 GLY HA3 H 1 4.850 0.020 . 2 . . . A 7 GLY HA3 . 18442 1 65 . 1 1 7 7 GLY C C 13 171.769 0.100 . 1 . . . A 7 GLY C . 18442 1 66 . 1 1 7 7 GLY CA C 13 45.741 0.100 . 1 . . . A 7 GLY CA . 18442 1 67 . 1 1 7 7 GLY N N 15 113.132 0.100 . 1 . . . A 7 GLY N . 18442 1 68 . 1 1 8 8 LYS H H 1 8.562 0.020 . 1 . . . A 8 LYS H . 18442 1 69 . 1 1 8 8 LYS HA H 1 5.471 0.020 . 1 . . . A 8 LYS HA . 18442 1 70 . 1 1 8 8 LYS HB2 H 1 1.671 0.020 . 2 . . . A 8 LYS HB2 . 18442 1 71 . 1 1 8 8 LYS HB3 H 1 1.608 0.020 . 2 . . . A 8 LYS HB3 . 18442 1 72 . 1 1 8 8 LYS HG2 H 1 1.397 0.020 . 2 . . . A 8 LYS HG2 . 18442 1 73 . 1 1 8 8 LYS HG3 H 1 1.397 0.020 . 2 . . . A 8 LYS HG3 . 18442 1 74 . 1 1 8 8 LYS HD2 H 1 1.695 0.020 . 2 . . . A 8 LYS HD2 . 18442 1 75 . 1 1 8 8 LYS HD3 H 1 1.695 0.020 . 2 . . . A 8 LYS HD3 . 18442 1 76 . 1 1 8 8 LYS HE2 H 1 3.058 0.020 . 2 . . . A 8 LYS HE2 . 18442 1 77 . 1 1 8 8 LYS HE3 H 1 3.058 0.020 . 2 . . . A 8 LYS HE3 . 18442 1 78 . 1 1 8 8 LYS C C 13 176.350 0.100 . 1 . . . A 8 LYS C . 18442 1 79 . 1 1 8 8 LYS CA C 13 54.423 0.100 . 1 . . . A 8 LYS CA . 18442 1 80 . 1 1 8 8 LYS CB C 13 36.780 0.100 . 1 . . . A 8 LYS CB . 18442 1 81 . 1 1 8 8 LYS CG C 13 24.463 0.100 . 1 . . . A 8 LYS CG . 18442 1 82 . 1 1 8 8 LYS CD C 13 29.486 0.100 . 1 . . . A 8 LYS CD . 18442 1 83 . 1 1 8 8 LYS CE C 13 41.884 0.100 . 1 . . . A 8 LYS CE . 18442 1 84 . 1 1 8 8 LYS N N 15 120.212 0.100 . 1 . . . A 8 LYS N . 18442 1 85 . 1 1 9 9 VAL H H 1 9.039 0.020 . 1 . . . A 9 VAL H . 18442 1 86 . 1 1 9 9 VAL HA H 1 3.593 0.020 . 1 . . . A 9 VAL HA . 18442 1 87 . 1 1 9 9 VAL HB H 1 2.441 0.020 . 1 . . . A 9 VAL HB . 18442 1 88 . 1 1 9 9 VAL HG11 H 1 0.540 0.020 . 1 . . . A 9 VAL QG1 . 18442 1 89 . 1 1 9 9 VAL HG12 H 1 0.540 0.020 . 1 . . . A 9 VAL QG1 . 18442 1 90 . 1 1 9 9 VAL HG13 H 1 0.540 0.020 . 1 . . . A 9 VAL QG1 . 18442 1 91 . 1 1 9 9 VAL HG21 H 1 0.930 0.020 . 1 . . . A 9 VAL QG2 . 18442 1 92 . 1 1 9 9 VAL HG22 H 1 0.930 0.020 . 1 . . . A 9 VAL QG2 . 18442 1 93 . 1 1 9 9 VAL HG23 H 1 0.930 0.020 . 1 . . . A 9 VAL QG2 . 18442 1 94 . 1 1 9 9 VAL C C 13 175.952 0.100 . 1 . . . A 9 VAL C . 18442 1 95 . 1 1 9 9 VAL CA C 13 64.862 0.100 . 1 . . . A 9 VAL CA . 18442 1 96 . 1 1 9 9 VAL CB C 13 31.936 0.100 . 1 . . . A 9 VAL CB . 18442 1 97 . 1 1 9 9 VAL CG1 C 13 20.829 0.100 . 2 . . . A 9 VAL CG1 . 18442 1 98 . 1 1 9 9 VAL CG2 C 13 23.181 0.100 . 2 . . . A 9 VAL CG2 . 18442 1 99 . 1 1 9 9 VAL N N 15 124.855 0.100 . 1 . . . A 9 VAL N . 18442 1 100 . 1 1 10 10 LYS H H 1 9.363 0.020 . 1 . . . A 10 LYS H . 18442 1 101 . 1 1 10 10 LYS HA H 1 4.361 0.020 . 1 . . . A 10 LYS HA . 18442 1 102 . 1 1 10 10 LYS HB2 H 1 1.786 0.020 . 2 . . . A 10 LYS HB2 . 18442 1 103 . 1 1 10 10 LYS HB3 H 1 1.629 0.020 . 2 . . . A 10 LYS HB3 . 18442 1 104 . 1 1 10 10 LYS HG2 H 1 1.596 0.020 . 2 . . . A 10 LYS HG2 . 18442 1 105 . 1 1 10 10 LYS HG3 H 1 1.596 0.020 . 2 . . . A 10 LYS HG3 . 18442 1 106 . 1 1 10 10 LYS HD2 H 1 1.622 0.020 . 2 . . . A 10 LYS HD2 . 18442 1 107 . 1 1 10 10 LYS HD3 H 1 1.622 0.020 . 2 . . . A 10 LYS HD3 . 18442 1 108 . 1 1 10 10 LYS HE2 H 1 3.024 0.020 . 2 . . . A 10 LYS HE2 . 18442 1 109 . 1 1 10 10 LYS HE3 H 1 3.024 0.020 . 2 . . . A 10 LYS HE3 . 18442 1 110 . 1 1 10 10 LYS C C 13 175.933 0.100 . 1 . . . A 10 LYS C . 18442 1 111 . 1 1 10 10 LYS CA C 13 58.407 0.100 . 1 . . . A 10 LYS CA . 18442 1 112 . 1 1 10 10 LYS CB C 13 35.024 0.100 . 1 . . . A 10 LYS CB . 18442 1 113 . 1 1 10 10 LYS CG C 13 25.104 0.100 . 1 . . . A 10 LYS CG . 18442 1 114 . 1 1 10 10 LYS CD C 13 29.486 0.100 . 1 . . . A 10 LYS CD . 18442 1 115 . 1 1 10 10 LYS N N 15 134.578 0.100 . 1 . . . A 10 LYS N . 18442 1 116 . 1 1 11 11 TRP H H 1 7.415 0.020 . 1 . . . A 11 TRP H . 18442 1 117 . 1 1 11 11 TRP HA H 1 4.632 0.020 . 1 . . . A 11 TRP HA . 18442 1 118 . 1 1 11 11 TRP HB2 H 1 3.610 0.020 . 2 . . . A 11 TRP HB2 . 18442 1 119 . 1 1 11 11 TRP HB3 H 1 3.356 0.020 . 2 . . . A 11 TRP HB3 . 18442 1 120 . 1 1 11 11 TRP HD1 H 1 7.170 0.020 . 1 . . . A 11 TRP HD1 . 18442 1 121 . 1 1 11 11 TRP HE1 H 1 10.387 0.020 . 1 . . . A 11 TRP HE1 . 18442 1 122 . 1 1 11 11 TRP HE3 H 1 7.278 0.020 . 1 . . . A 11 TRP HE3 . 18442 1 123 . 1 1 11 11 TRP HZ2 H 1 7.650 0.020 . 1 . . . A 11 TRP HZ2 . 18442 1 124 . 1 1 11 11 TRP HZ3 H 1 6.635 0.020 . 1 . . . A 11 TRP HZ3 . 18442 1 125 . 1 1 11 11 TRP HH2 H 1 7.167 0.020 . 1 . . . A 11 TRP HH2 . 18442 1 126 . 1 1 11 11 TRP C C 13 173.662 0.100 . 1 . . . A 11 TRP C . 18442 1 127 . 1 1 11 11 TRP CA C 13 56.137 0.100 . 1 . . . A 11 TRP CA . 18442 1 128 . 1 1 11 11 TRP CB C 13 31.191 0.100 . 1 . . . A 11 TRP CB . 18442 1 129 . 1 1 11 11 TRP CD1 C 13 128.165 0.100 . 1 . . . A 11 TRP CD1 . 18442 1 130 . 1 1 11 11 TRP CE3 C 13 120.141 0.100 . 1 . . . A 11 TRP CE3 . 18442 1 131 . 1 1 11 11 TRP CZ2 C 13 114.964 0.100 . 1 . . . A 11 TRP CZ2 . 18442 1 132 . 1 1 11 11 TRP CZ3 C 13 122.212 0.100 . 1 . . . A 11 TRP CZ3 . 18442 1 133 . 1 1 11 11 TRP CH2 C 13 124.282 0.100 . 1 . . . A 11 TRP CH2 . 18442 1 134 . 1 1 11 11 TRP N N 15 111.228 0.100 . 1 . . . A 11 TRP N . 18442 1 135 . 1 1 11 11 TRP NE1 N 15 129.697 0.100 . 1 . . . A 11 TRP NE1 . 18442 1 136 . 1 1 12 12 TYR H H 1 9.060 0.020 . 1 . . . A 12 TYR H . 18442 1 137 . 1 1 12 12 TYR HA H 1 4.304 0.020 . 1 . . . A 12 TYR HA . 18442 1 138 . 1 1 12 12 TYR HB2 H 1 2.688 0.020 . 2 . . . A 12 TYR HB2 . 18442 1 139 . 1 1 12 12 TYR HB3 H 1 2.482 0.020 . 2 . . . A 12 TYR HB3 . 18442 1 140 . 1 1 12 12 TYR HD1 H 1 6.660 0.020 . 3 . . . A 12 TYR HD1 . 18442 1 141 . 1 1 12 12 TYR HD2 H 1 6.660 0.020 . 3 . . . A 12 TYR HD2 . 18442 1 142 . 1 1 12 12 TYR HE1 H 1 6.396 0.020 . 3 . . . A 12 TYR HE1 . 18442 1 143 . 1 1 12 12 TYR HE2 H 1 6.396 0.020 . 3 . . . A 12 TYR HE2 . 18442 1 144 . 1 1 12 12 TYR C C 13 172.620 0.100 . 1 . . . A 12 TYR C . 18442 1 145 . 1 1 12 12 TYR CA C 13 59.943 0.100 . 1 . . . A 12 TYR CA . 18442 1 146 . 1 1 12 12 TYR CB C 13 41.465 0.100 . 1 . . . A 12 TYR CB . 18442 1 147 . 1 1 12 12 TYR CD2 C 13 133.083 0.100 . 3 . . . A 12 TYR CD2 . 18442 1 148 . 1 1 12 12 TYR CE2 C 13 117.294 0.100 . 3 . . . A 12 TYR CE2 . 18442 1 149 . 1 1 12 12 TYR N N 15 120.416 0.100 . 1 . . . A 12 TYR N . 18442 1 150 . 1 1 13 13 ASN H H 1 7.864 0.020 . 1 . . . A 13 ASN H . 18442 1 151 . 1 1 13 13 ASN HA H 1 4.904 0.020 . 1 . . . A 13 ASN HA . 18442 1 152 . 1 1 13 13 ASN HB2 H 1 2.682 0.020 . 2 . . . A 13 ASN HB2 . 18442 1 153 . 1 1 13 13 ASN HB3 H 1 2.481 0.020 . 2 . . . A 13 ASN HB3 . 18442 1 154 . 1 1 13 13 ASN HD21 H 1 7.682 0.020 . 2 . . . A 13 ASN HD21 . 18442 1 155 . 1 1 13 13 ASN HD22 H 1 7.239 0.020 . 2 . . . A 13 ASN HD22 . 18442 1 156 . 1 1 13 13 ASN C C 13 174.589 0.100 . 1 . . . A 13 ASN C . 18442 1 157 . 1 1 13 13 ASN CA C 13 51.608 0.100 . 1 . . . A 13 ASN CA . 18442 1 158 . 1 1 13 13 ASN CB C 13 40.613 0.100 . 1 . . . A 13 ASN CB . 18442 1 159 . 1 1 13 13 ASN N N 15 126.878 0.100 . 1 . . . A 13 ASN N . 18442 1 160 . 1 1 13 13 ASN ND2 N 15 113.967 0.100 . 1 . . . A 13 ASN ND2 . 18442 1 161 . 1 1 14 14 SER H H 1 9.006 0.020 . 1 . . . A 14 SER H . 18442 1 162 . 1 1 14 14 SER HA H 1 4.133 0.020 . 1 . . . A 14 SER HA . 18442 1 163 . 1 1 14 14 SER HB2 H 1 4.076 0.020 . 2 . . . A 14 SER HB2 . 18442 1 164 . 1 1 14 14 SER HB3 H 1 4.076 0.020 . 2 . . . A 14 SER HB3 . 18442 1 165 . 1 1 14 14 SER C C 13 175.517 0.100 . 1 . . . A 14 SER C . 18442 1 166 . 1 1 14 14 SER CA C 13 61.034 0.100 . 1 . . . A 14 SER CA . 18442 1 167 . 1 1 14 14 SER CB C 13 63.396 0.100 . 1 . . . A 14 SER CB . 18442 1 168 . 1 1 14 14 SER N N 15 121.333 0.100 . 1 . . . A 14 SER N . 18442 1 169 . 1 1 15 15 THR H H 1 8.154 0.020 . 1 . . . A 15 THR H . 18442 1 170 . 1 1 15 15 THR HA H 1 4.212 0.020 . 1 . . . A 15 THR HA . 18442 1 171 . 1 1 15 15 THR HB H 1 4.323 0.020 . 1 . . . A 15 THR HB . 18442 1 172 . 1 1 15 15 THR HG21 H 1 1.274 0.020 . 1 . . . A 15 THR QG2 . 18442 1 173 . 1 1 15 15 THR HG22 H 1 1.274 0.020 . 1 . . . A 15 THR QG2 . 18442 1 174 . 1 1 15 15 THR HG23 H 1 1.274 0.020 . 1 . . . A 15 THR QG2 . 18442 1 175 . 1 1 15 15 THR C C 13 175.763 0.100 . 1 . . . A 15 THR C . 18442 1 176 . 1 1 15 15 THR CA C 13 65.480 0.100 . 1 . . . A 15 THR CA . 18442 1 177 . 1 1 15 15 THR CB C 13 68.613 0.100 . 1 . . . A 15 THR CB . 18442 1 178 . 1 1 15 15 THR CG2 C 13 22.005 0.100 . 1 . . . A 15 THR CG2 . 18442 1 179 . 1 1 15 15 THR N N 15 116.728 0.100 . 1 . . . A 15 THR N . 18442 1 180 . 1 1 16 16 LYS H H 1 7.565 0.020 . 1 . . . A 16 LYS H . 18442 1 181 . 1 1 16 16 LYS HA H 1 4.260 0.020 . 1 . . . A 16 LYS HA . 18442 1 182 . 1 1 16 16 LYS HB2 H 1 1.285 0.020 . 2 . . . A 16 LYS HB2 . 18442 1 183 . 1 1 16 16 LYS HB3 H 1 1.947 0.020 . 2 . . . A 16 LYS HB3 . 18442 1 184 . 1 1 16 16 LYS HG2 H 1 1.403 0.020 . 2 . . . A 16 LYS HG2 . 18442 1 185 . 1 1 16 16 LYS HG3 H 1 1.403 0.020 . 2 . . . A 16 LYS HG3 . 18442 1 186 . 1 1 16 16 LYS HD2 H 1 1.702 0.020 . 2 . . . A 16 LYS HD2 . 18442 1 187 . 1 1 16 16 LYS HD3 H 1 1.575 0.020 . 2 . . . A 16 LYS HD3 . 18442 1 188 . 1 1 16 16 LYS HE2 H 1 2.997 0.020 . 2 . . . A 16 LYS HE2 . 18442 1 189 . 1 1 16 16 LYS HE3 H 1 2.997 0.020 . 2 . . . A 16 LYS HE3 . 18442 1 190 . 1 1 16 16 LYS C C 13 175.839 0.100 . 1 . . . A 16 LYS C . 18442 1 191 . 1 1 16 16 LYS CA C 13 56.733 0.100 . 1 . . . A 16 LYS CA . 18442 1 192 . 1 1 16 16 LYS CB C 13 33.427 0.100 . 1 . . . A 16 LYS CB . 18442 1 193 . 1 1 16 16 LYS CG C 13 25.852 0.100 . 1 . . . A 16 LYS CG . 18442 1 194 . 1 1 16 16 LYS CD C 13 29.379 0.100 . 1 . . . A 16 LYS CD . 18442 1 195 . 1 1 16 16 LYS N N 15 119.073 0.100 . 1 . . . A 16 LYS N . 18442 1 196 . 1 1 17 17 ASN H H 1 7.891 0.020 . 1 . . . A 17 ASN H . 18442 1 197 . 1 1 17 17 ASN HA H 1 4.056 0.020 . 1 . . . A 17 ASN HA . 18442 1 198 . 1 1 17 17 ASN HB2 H 1 3.464 0.020 . 2 . . . A 17 ASN HB2 . 18442 1 199 . 1 1 17 17 ASN HB3 H 1 2.927 0.020 . 2 . . . A 17 ASN HB3 . 18442 1 200 . 1 1 17 17 ASN HD21 H 1 7.401 0.020 . 2 . . . A 17 ASN HD21 . 18442 1 201 . 1 1 17 17 ASN HD22 H 1 6.920 0.020 . 2 . . . A 17 ASN HD22 . 18442 1 202 . 1 1 17 17 ASN C C 13 172.507 0.100 . 1 . . . A 17 ASN C . 18442 1 203 . 1 1 17 17 ASN CA C 13 54.765 0.100 . 1 . . . A 17 ASN CA . 18442 1 204 . 1 1 17 17 ASN CB C 13 36.993 0.100 . 1 . . . A 17 ASN CB . 18442 1 205 . 1 1 17 17 ASN N N 15 110.790 0.100 . 1 . . . A 17 ASN N . 18442 1 206 . 1 1 17 17 ASN ND2 N 15 112.870 0.100 . 1 . . . A 17 ASN ND2 . 18442 1 207 . 1 1 18 18 PHE H H 1 7.145 0.020 . 1 . . . A 18 PHE H . 18442 1 208 . 1 1 18 18 PHE HA H 1 5.122 0.020 . 1 . . . A 18 PHE HA . 18442 1 209 . 1 1 18 18 PHE HB2 H 1 3.142 0.020 . 2 . . . A 18 PHE HB2 . 18442 1 210 . 1 1 18 18 PHE HB3 H 1 2.742 0.020 . 2 . . . A 18 PHE HB3 . 18442 1 211 . 1 1 18 18 PHE HD1 H 1 6.994 0.020 . 3 . . . A 18 PHE HD1 . 18442 1 212 . 1 1 18 18 PHE HD2 H 1 6.994 0.020 . 3 . . . A 18 PHE HD2 . 18442 1 213 . 1 1 18 18 PHE HE1 H 1 7.560 0.020 . 3 . . . A 18 PHE HE1 . 18442 1 214 . 1 1 18 18 PHE HE2 H 1 7.560 0.020 . 3 . . . A 18 PHE HE2 . 18442 1 215 . 1 1 18 18 PHE HZ H 1 7.560 0.020 . 1 . . . A 18 PHE HZ . 18442 1 216 . 1 1 18 18 PHE C C 13 172.109 0.100 . 1 . . . A 18 PHE C . 18442 1 217 . 1 1 18 18 PHE CA C 13 56.736 0.100 . 1 . . . A 18 PHE CA . 18442 1 218 . 1 1 18 18 PHE CB C 13 41.944 0.100 . 1 . . . A 18 PHE CB . 18442 1 219 . 1 1 18 18 PHE CD1 C 13 133.341 0.100 . 3 . . . A 18 PHE CD1 . 18442 1 220 . 1 1 18 18 PHE CE1 C 13 131.012 0.100 . 3 . . . A 18 PHE CE1 . 18442 1 221 . 1 1 18 18 PHE CZ C 13 129.459 0.100 . 1 . . . A 18 PHE CZ . 18442 1 222 . 1 1 18 18 PHE N N 15 111.403 0.100 . 1 . . . A 18 PHE N . 18442 1 223 . 1 1 19 19 GLY H H 1 8.344 0.020 . 1 . . . A 19 GLY H . 18442 1 224 . 1 1 19 19 GLY HA2 H 1 3.954 0.020 . 2 . . . A 19 GLY HA2 . 18442 1 225 . 1 1 19 19 GLY HA3 H 1 3.298 0.020 . 2 . . . A 19 GLY HA3 . 18442 1 226 . 1 1 19 19 GLY C C 13 170.671 0.100 . 1 . . . A 19 GLY C . 18442 1 227 . 1 1 19 19 GLY CA C 13 45.354 0.100 . 1 . . . A 19 GLY CA . 18442 1 228 . 1 1 19 19 GLY N N 15 105.679 0.100 . 1 . . . A 19 GLY N . 18442 1 229 . 1 1 20 20 PHE H H 1 7.938 0.020 . 1 . . . A 20 PHE H . 18442 1 230 . 1 1 20 20 PHE HA H 1 5.348 0.020 . 1 . . . A 20 PHE HA . 18442 1 231 . 1 1 20 20 PHE HB2 H 1 2.536 0.020 . 2 . . . A 20 PHE HB2 . 18442 1 232 . 1 1 20 20 PHE HB3 H 1 2.082 0.020 . 2 . . . A 20 PHE HB3 . 18442 1 233 . 1 1 20 20 PHE HD1 H 1 6.750 0.020 . 3 . . . A 20 PHE HD1 . 18442 1 234 . 1 1 20 20 PHE HD2 H 1 6.750 0.020 . 3 . . . A 20 PHE HD2 . 18442 1 235 . 1 1 20 20 PHE HE1 H 1 7.473 0.020 . 3 . . . A 20 PHE HE1 . 18442 1 236 . 1 1 20 20 PHE HE2 H 1 7.473 0.020 . 3 . . . A 20 PHE HE2 . 18442 1 237 . 1 1 20 20 PHE HZ H 1 7.472 0.020 . 1 . . . A 20 PHE HZ . 18442 1 238 . 1 1 20 20 PHE C C 13 174.684 0.100 . 1 . . . A 20 PHE C . 18442 1 239 . 1 1 20 20 PHE CA C 13 56.692 0.100 . 1 . . . A 20 PHE CA . 18442 1 240 . 1 1 20 20 PHE CB C 13 45.138 0.100 . 1 . . . A 20 PHE CB . 18442 1 241 . 1 1 20 20 PHE CD1 C 13 131.530 0.100 . 3 . . . A 20 PHE CD1 . 18442 1 242 . 1 1 20 20 PHE CE1 C 13 131.530 0.100 . 3 . . . A 20 PHE CE1 . 18442 1 243 . 1 1 20 20 PHE CZ C 13 129.977 0.100 . 1 . . . A 20 PHE CZ . 18442 1 244 . 1 1 20 20 PHE N N 15 114.385 0.100 . 1 . . . A 20 PHE N . 18442 1 245 . 1 1 21 21 ILE H H 1 9.512 0.020 . 1 . . . A 21 ILE H . 18442 1 246 . 1 1 21 21 ILE HA H 1 4.234 0.020 . 1 . . . A 21 ILE HA . 18442 1 247 . 1 1 21 21 ILE HB H 1 1.076 0.020 . 1 . . . A 21 ILE HB . 18442 1 248 . 1 1 21 21 ILE HG12 H 1 0.466 0.020 . 2 . . . A 21 ILE HG12 . 18442 1 249 . 1 1 21 21 ILE HG21 H 1 0.436 0.020 . 1 . . . A 21 ILE QG2 . 18442 1 250 . 1 1 21 21 ILE HG22 H 1 0.436 0.020 . 1 . . . A 21 ILE QG2 . 18442 1 251 . 1 1 21 21 ILE HG23 H 1 0.436 0.020 . 1 . . . A 21 ILE QG2 . 18442 1 252 . 1 1 21 21 ILE HD11 H 1 -0.010 0.020 . 1 . . . A 21 ILE QD1 . 18442 1 253 . 1 1 21 21 ILE HD12 H 1 -0.010 0.020 . 1 . . . A 21 ILE QD1 . 18442 1 254 . 1 1 21 21 ILE HD13 H 1 -0.010 0.020 . 1 . . . A 21 ILE QD1 . 18442 1 255 . 1 1 21 21 ILE C C 13 174.362 0.100 . 1 . . . A 21 ILE C . 18442 1 256 . 1 1 21 21 ILE CA C 13 59.963 0.100 . 1 . . . A 21 ILE CA . 18442 1 257 . 1 1 21 21 ILE CB C 13 41.465 0.100 . 1 . . . A 21 ILE CB . 18442 1 258 . 1 1 21 21 ILE CG1 C 13 28.204 0.100 . 1 . . . A 21 ILE CG1 . 18442 1 259 . 1 1 21 21 ILE CG2 C 13 18.051 0.100 . 1 . . . A 21 ILE CG2 . 18442 1 260 . 1 1 21 21 ILE CD1 C 13 13.455 0.100 . 1 . . . A 21 ILE CD1 . 18442 1 261 . 1 1 21 21 ILE N N 15 122.983 0.100 . 1 . . . A 21 ILE N . 18442 1 262 . 1 1 22 22 GLU H H 1 9.188 0.020 . 1 . . . A 22 GLU H . 18442 1 263 . 1 1 22 22 GLU HA H 1 4.866 0.020 . 1 . . . A 22 GLU HA . 18442 1 264 . 1 1 22 22 GLU HB2 H 1 2.004 0.020 . 2 . . . A 22 GLU HB2 . 18442 1 265 . 1 1 22 22 GLU HB3 H 1 2.004 0.020 . 2 . . . A 22 GLU HB3 . 18442 1 266 . 1 1 22 22 GLU HG2 H 1 2.310 0.020 . 2 . . . A 22 GLU HG2 . 18442 1 267 . 1 1 22 22 GLU HG3 H 1 2.310 0.020 . 2 . . . A 22 GLU HG3 . 18442 1 268 . 1 1 22 22 GLU C C 13 176.463 0.100 . 1 . . . A 22 GLU C . 18442 1 269 . 1 1 22 22 GLU CA C 13 54.637 0.100 . 1 . . . A 22 GLU CA . 18442 1 270 . 1 1 22 22 GLU CB C 13 32.256 0.100 . 1 . . . A 22 GLU CB . 18442 1 271 . 1 1 22 22 GLU CG C 13 36.326 0.100 . 1 . . . A 22 GLU CG . 18442 1 272 . 1 1 22 22 GLU N N 15 126.299 0.100 . 1 . . . A 22 GLU N . 18442 1 273 . 1 1 23 23 GLN H H 1 9.368 0.020 . 1 . . . A 23 GLN H . 18442 1 274 . 1 1 23 23 GLN HA H 1 4.603 0.020 . 1 . . . A 23 GLN HA . 18442 1 275 . 1 1 23 23 GLN HB2 H 1 2.332 0.020 . 2 . . . A 23 GLN HB2 . 18442 1 276 . 1 1 23 23 GLN HB3 H 1 2.332 0.020 . 2 . . . A 23 GLN HB3 . 18442 1 277 . 1 1 23 23 GLN HG2 H 1 2.658 0.020 . 2 . . . A 23 GLN HG2 . 18442 1 278 . 1 1 23 23 GLN HG3 H 1 2.132 0.020 . 2 . . . A 23 GLN HG3 . 18442 1 279 . 1 1 23 23 GLN HE21 H 1 8.393 0.020 . 2 . . . A 23 GLN HE21 . 18442 1 280 . 1 1 23 23 GLN HE22 H 1 6.624 0.020 . 2 . . . A 23 GLN HE22 . 18442 1 281 . 1 1 23 23 GLN C C 13 176.463 0.100 . 1 . . . A 23 GLN C . 18442 1 282 . 1 1 23 23 GLN CA C 13 57.010 0.100 . 1 . . . A 23 GLN CA . 18442 1 283 . 1 1 23 23 GLN CB C 13 31.723 0.100 . 1 . . . A 23 GLN CB . 18442 1 284 . 1 1 23 23 GLN CG C 13 36.006 0.100 . 1 . . . A 23 GLN CG . 18442 1 285 . 1 1 23 23 GLN N N 15 125.044 0.100 . 1 . . . A 23 GLN N . 18442 1 286 . 1 1 23 23 GLN NE2 N 15 111.087 0.100 . 1 . . . A 23 GLN NE2 . 18442 1 287 . 1 1 24 24 ASP H H 1 8.812 0.020 . 1 . . . A 24 ASP H . 18442 1 288 . 1 1 24 24 ASP HA H 1 4.589 0.020 . 1 . . . A 24 ASP HA . 18442 1 289 . 1 1 24 24 ASP HB2 H 1 2.736 0.020 . 2 . . . A 24 ASP HB2 . 18442 1 290 . 1 1 24 24 ASP HB3 H 1 2.660 0.020 . 2 . . . A 24 ASP HB3 . 18442 1 291 . 1 1 24 24 ASP C C 13 177.069 0.100 . 1 . . . A 24 ASP C . 18442 1 292 . 1 1 24 24 ASP CA C 13 55.920 0.100 . 1 . . . A 24 ASP CA . 18442 1 293 . 1 1 24 24 ASP CB C 13 41.566 0.100 . 1 . . . A 24 ASP CB . 18442 1 294 . 1 1 24 24 ASP N N 15 123.911 0.100 . 1 . . . A 24 ASP N . 18442 1 295 . 1 1 25 25 ASN H H 1 8.387 0.020 . 1 . . . A 25 ASN H . 18442 1 296 . 1 1 25 25 ASN HA H 1 4.622 0.020 . 1 . . . A 25 ASN HA . 18442 1 297 . 1 1 25 25 ASN HB2 H 1 2.825 0.020 . 2 . . . A 25 ASN HB2 . 18442 1 298 . 1 1 25 25 ASN HB3 H 1 2.825 0.020 . 2 . . . A 25 ASN HB3 . 18442 1 299 . 1 1 25 25 ASN HD21 H 1 7.668 0.020 . 2 . . . A 25 ASN HD21 . 18442 1 300 . 1 1 25 25 ASN HD22 H 1 6.991 0.020 . 2 . . . A 25 ASN HD22 . 18442 1 301 . 1 1 25 25 ASN C C 13 176.236 0.100 . 1 . . . A 25 ASN C . 18442 1 302 . 1 1 25 25 ASN CA C 13 53.460 0.100 . 1 . . . A 25 ASN CA . 18442 1 303 . 1 1 25 25 ASN CB C 13 38.978 0.100 . 1 . . . A 25 ASN CB . 18442 1 304 . 1 1 25 25 ASN N N 15 114.649 0.100 . 1 . . . A 25 ASN N . 18442 1 305 . 1 1 25 25 ASN ND2 N 15 112.712 0.100 . 1 . . . A 25 ASN ND2 . 18442 1 306 . 1 1 26 26 GLY H H 1 8.136 0.020 . 1 . . . A 26 GLY H . 18442 1 307 . 1 1 26 26 GLY HA2 H 1 4.215 0.020 . 2 . . . A 26 GLY HA2 . 18442 1 308 . 1 1 26 26 GLY HA3 H 1 3.894 0.020 . 2 . . . A 26 GLY HA3 . 18442 1 309 . 1 1 26 26 GLY C C 13 175.119 0.100 . 1 . . . A 26 GLY C . 18442 1 310 . 1 1 26 26 GLY CA C 13 45.718 0.100 . 1 . . . A 26 GLY CA . 18442 1 311 . 1 1 26 26 GLY N N 15 107.807 0.100 . 1 . . . A 26 GLY N . 18442 1 312 . 1 1 27 27 GLY H H 1 8.028 0.020 . 1 . . . A 27 GLY H . 18442 1 313 . 1 1 27 27 GLY HA2 H 1 4.109 0.020 . 2 . . . A 27 GLY HA2 . 18442 1 314 . 1 1 27 27 GLY HA3 H 1 3.837 0.020 . 2 . . . A 27 GLY HA3 . 18442 1 315 . 1 1 27 27 GLY C C 13 173.340 0.100 . 1 . . . A 27 GLY C . 18442 1 316 . 1 1 27 27 GLY CA C 13 44.802 0.100 . 1 . . . A 27 GLY CA . 18442 1 317 . 1 1 27 27 GLY N N 15 106.991 0.100 . 1 . . . A 27 GLY N . 18442 1 318 . 1 1 28 28 LYS H H 1 8.279 0.020 . 1 . . . A 28 LYS H . 18442 1 319 . 1 1 28 28 LYS HA H 1 4.283 0.020 . 1 . . . A 28 LYS HA . 18442 1 320 . 1 1 28 28 LYS HB2 H 1 1.941 0.020 . 2 . . . A 28 LYS HB2 . 18442 1 321 . 1 1 28 28 LYS HB3 H 1 1.792 0.020 . 2 . . . A 28 LYS HB3 . 18442 1 322 . 1 1 28 28 LYS HG2 H 1 1.559 0.020 . 2 . . . A 28 LYS HG2 . 18442 1 323 . 1 1 28 28 LYS HG3 H 1 1.559 0.020 . 2 . . . A 28 LYS HG3 . 18442 1 324 . 1 1 28 28 LYS HD2 H 1 1.761 0.020 . 2 . . . A 28 LYS HD2 . 18442 1 325 . 1 1 28 28 LYS HD3 H 1 1.761 0.020 . 2 . . . A 28 LYS HD3 . 18442 1 326 . 1 1 28 28 LYS HE2 H 1 3.070 0.020 . 2 . . . A 28 LYS HE2 . 18442 1 327 . 1 1 28 28 LYS HE3 H 1 3.070 0.020 . 2 . . . A 28 LYS HE3 . 18442 1 328 . 1 1 28 28 LYS C C 13 176.160 0.100 . 1 . . . A 28 LYS C . 18442 1 329 . 1 1 28 28 LYS CA C 13 56.435 0.100 . 1 . . . A 28 LYS CA . 18442 1 330 . 1 1 28 28 LYS CB C 13 33.640 0.100 . 1 . . . A 28 LYS CB . 18442 1 331 . 1 1 28 28 LYS CG C 13 24.997 0.100 . 1 . . . A 28 LYS CG . 18442 1 332 . 1 1 28 28 LYS CD C 13 29.486 0.100 . 1 . . . A 28 LYS CD . 18442 1 333 . 1 1 28 28 LYS CE C 13 42.525 0.100 . 1 . . . A 28 LYS CE . 18442 1 334 . 1 1 28 28 LYS N N 15 120.252 0.100 . 1 . . . A 28 LYS N . 18442 1 335 . 1 1 29 29 ASP H H 1 8.398 0.020 . 1 . . . A 29 ASP H . 18442 1 336 . 1 1 29 29 ASP HA H 1 4.979 0.020 . 1 . . . A 29 ASP HA . 18442 1 337 . 1 1 29 29 ASP HB2 H 1 2.424 0.020 . 2 . . . A 29 ASP HB2 . 18442 1 338 . 1 1 29 29 ASP HB3 H 1 2.424 0.020 . 2 . . . A 29 ASP HB3 . 18442 1 339 . 1 1 29 29 ASP C C 13 176.463 0.100 . 1 . . . A 29 ASP C . 18442 1 340 . 1 1 29 29 ASP CA C 13 55.066 0.100 . 1 . . . A 29 ASP CA . 18442 1 341 . 1 1 29 29 ASP CB C 13 41.305 0.100 . 1 . . . A 29 ASP CB . 18442 1 342 . 1 1 29 29 ASP N N 15 121.058 0.100 . 1 . . . A 29 ASP N . 18442 1 343 . 1 1 30 30 VAL H H 1 9.188 0.020 . 1 . . . A 30 VAL H . 18442 1 344 . 1 1 30 30 VAL HA H 1 4.283 0.020 . 1 . . . A 30 VAL HA . 18442 1 345 . 1 1 30 30 VAL HB H 1 1.609 0.020 . 1 . . . A 30 VAL HB . 18442 1 346 . 1 1 30 30 VAL HG11 H 1 0.994 0.020 . 1 . . . A 30 VAL QG1 . 18442 1 347 . 1 1 30 30 VAL HG12 H 1 0.994 0.020 . 1 . . . A 30 VAL QG1 . 18442 1 348 . 1 1 30 30 VAL HG13 H 1 0.994 0.020 . 1 . . . A 30 VAL QG1 . 18442 1 349 . 1 1 30 30 VAL HG21 H 1 0.791 0.020 . 1 . . . A 30 VAL QG2 . 18442 1 350 . 1 1 30 30 VAL HG22 H 1 0.791 0.020 . 1 . . . A 30 VAL QG2 . 18442 1 351 . 1 1 30 30 VAL HG23 H 1 0.791 0.020 . 1 . . . A 30 VAL QG2 . 18442 1 352 . 1 1 30 30 VAL C C 13 174.703 0.100 . 1 . . . A 30 VAL C . 18442 1 353 . 1 1 30 30 VAL CA C 13 61.504 0.100 . 1 . . . A 30 VAL CA . 18442 1 354 . 1 1 30 30 VAL CB C 13 34.811 0.100 . 1 . . . A 30 VAL CB . 18442 1 355 . 1 1 30 30 VAL CG1 C 13 21.898 0.100 . 2 . . . A 30 VAL CG1 . 18442 1 356 . 1 1 30 30 VAL CG2 C 13 22.801 0.100 . 2 . . . A 30 VAL CG2 . 18442 1 357 . 1 1 30 30 VAL N N 15 121.758 0.100 . 1 . . . A 30 VAL N . 18442 1 358 . 1 1 31 31 PHE H H 1 8.631 0.020 . 1 . . . A 31 PHE H . 18442 1 359 . 1 1 31 31 PHE HA H 1 4.131 0.020 . 1 . . . A 31 PHE HA . 18442 1 360 . 1 1 31 31 PHE HB2 H 1 2.930 0.020 . 2 . . . A 31 PHE HB2 . 18442 1 361 . 1 1 31 31 PHE HB3 H 1 2.930 0.020 . 2 . . . A 31 PHE HB3 . 18442 1 362 . 1 1 31 31 PHE HD1 H 1 6.924 0.020 . 3 . . . A 31 PHE HD1 . 18442 1 363 . 1 1 31 31 PHE HD2 H 1 6.924 0.020 . 3 . . . A 31 PHE HD2 . 18442 1 364 . 1 1 31 31 PHE HE1 H 1 6.990 0.020 . 3 . . . A 31 PHE HE1 . 18442 1 365 . 1 1 31 31 PHE HE2 H 1 6.990 0.020 . 3 . . . A 31 PHE HE2 . 18442 1 366 . 1 1 31 31 PHE C C 13 173.226 0.100 . 1 . . . A 31 PHE C . 18442 1 367 . 1 1 31 31 PHE CA C 13 58.774 0.100 . 1 . . . A 31 PHE CA . 18442 1 368 . 1 1 31 31 PHE CB C 13 40.773 0.100 . 1 . . . A 31 PHE CB . 18442 1 369 . 1 1 31 31 PHE CD2 C 13 132.047 0.100 . 3 . . . A 31 PHE CD2 . 18442 1 370 . 1 1 31 31 PHE CE2 C 13 131.530 0.100 . 3 . . . A 31 PHE CE2 . 18442 1 371 . 1 1 31 31 PHE N N 15 129.568 0.100 . 1 . . . A 31 PHE N . 18442 1 372 . 1 1 32 32 VAL H H 1 7.923 0.020 . 1 . . . A 32 VAL H . 18442 1 373 . 1 1 32 32 VAL HA H 1 4.720 0.020 . 1 . . . A 32 VAL HA . 18442 1 374 . 1 1 32 32 VAL HB H 1 1.519 0.020 . 1 . . . A 32 VAL HB . 18442 1 375 . 1 1 32 32 VAL HG11 H 1 0.488 0.020 . 1 . . . A 32 VAL QG1 . 18442 1 376 . 1 1 32 32 VAL HG12 H 1 0.488 0.020 . 1 . . . A 32 VAL QG1 . 18442 1 377 . 1 1 32 32 VAL HG13 H 1 0.488 0.020 . 1 . . . A 32 VAL QG1 . 18442 1 378 . 1 1 32 32 VAL HG21 H 1 0.783 0.020 . 1 . . . A 32 VAL QG2 . 18442 1 379 . 1 1 32 32 VAL HG22 H 1 0.783 0.020 . 1 . . . A 32 VAL QG2 . 18442 1 380 . 1 1 32 32 VAL HG23 H 1 0.783 0.020 . 1 . . . A 32 VAL QG2 . 18442 1 381 . 1 1 32 32 VAL C C 13 171.277 0.100 . 1 . . . A 32 VAL C . 18442 1 382 . 1 1 32 32 VAL CA C 13 58.953 0.100 . 1 . . . A 32 VAL CA . 18442 1 383 . 1 1 32 32 VAL CB C 13 34.704 0.100 . 1 . . . A 32 VAL CB . 18442 1 384 . 1 1 32 32 VAL CG1 C 13 18.585 0.100 . 2 . . . A 32 VAL CG1 . 18442 1 385 . 1 1 32 32 VAL CG2 C 13 22.539 0.100 . 2 . . . A 32 VAL CG2 . 18442 1 386 . 1 1 32 32 VAL N N 15 123.423 0.100 . 1 . . . A 32 VAL N . 18442 1 387 . 1 1 33 33 HIS H H 1 9.433 0.020 . 1 . . . A 33 HIS H . 18442 1 388 . 1 1 33 33 HIS HA H 1 4.878 0.020 . 1 . . . A 33 HIS HA . 18442 1 389 . 1 1 33 33 HIS HB2 H 1 3.256 0.020 . 2 . . . A 33 HIS HB2 . 18442 1 390 . 1 1 33 33 HIS HB3 H 1 3.256 0.020 . 2 . . . A 33 HIS HB3 . 18442 1 391 . 1 1 33 33 HIS HD2 H 1 7.371 0.020 . 1 . . . A 33 HIS HD2 . 18442 1 392 . 1 1 33 33 HIS HE1 H 1 7.926 0.020 . 1 . . . A 33 HIS HE1 . 18442 1 393 . 1 1 33 33 HIS C C 13 176.047 0.100 . 1 . . . A 33 HIS C . 18442 1 394 . 1 1 33 33 HIS CA C 13 56.412 0.100 . 1 . . . A 33 HIS CA . 18442 1 395 . 1 1 33 33 HIS CB C 13 34.811 0.100 . 1 . . . A 33 HIS CB . 18442 1 396 . 1 1 33 33 HIS CD2 C 13 119.106 0.100 . 1 . . . A 33 HIS CD2 . 18442 1 397 . 1 1 33 33 HIS CE1 C 13 138.518 0.100 . 1 . . . A 33 HIS CE1 . 18442 1 398 . 1 1 33 33 HIS N N 15 127.520 0.100 . 1 . . . A 33 HIS N . 18442 1 399 . 1 1 34 34 LYS H H 1 7.636 0.020 . 1 . . . A 34 LYS H . 18442 1 400 . 1 1 34 34 LYS HA H 1 3.971 0.020 . 1 . . . A 34 LYS HA . 18442 1 401 . 1 1 34 34 LYS HB2 H 1 1.801 0.020 . 2 . . . A 34 LYS HB2 . 18442 1 402 . 1 1 34 34 LYS HB3 H 1 1.428 0.020 . 2 . . . A 34 LYS HB3 . 18442 1 403 . 1 1 34 34 LYS HG2 H 1 1.445 0.020 . 2 . . . A 34 LYS HG2 . 18442 1 404 . 1 1 34 34 LYS HG3 H 1 1.364 0.020 . 2 . . . A 34 LYS HG3 . 18442 1 405 . 1 1 34 34 LYS HD2 H 1 1.741 0.020 . 2 . . . A 34 LYS HD2 . 18442 1 406 . 1 1 34 34 LYS HD3 H 1 1.610 0.020 . 2 . . . A 34 LYS HD3 . 18442 1 407 . 1 1 34 34 LYS HE2 H 1 3.092 0.020 . 2 . . . A 34 LYS HE2 . 18442 1 408 . 1 1 34 34 LYS HE3 H 1 3.092 0.020 . 2 . . . A 34 LYS HE3 . 18442 1 409 . 1 1 34 34 LYS C C 13 176.899 0.100 . 1 . . . A 34 LYS C . 18442 1 410 . 1 1 34 34 LYS CA C 13 59.599 0.100 . 1 . . . A 34 LYS CA . 18442 1 411 . 1 1 34 34 LYS CB C 13 34.119 0.100 . 1 . . . A 34 LYS CB . 18442 1 412 . 1 1 34 34 LYS CG C 13 24.677 0.100 . 1 . . . A 34 LYS CG . 18442 1 413 . 1 1 34 34 LYS CD C 13 29.379 0.100 . 1 . . . A 34 LYS CD . 18442 1 414 . 1 1 34 34 LYS N N 15 126.435 0.100 . 1 . . . A 34 LYS N . 18442 1 415 . 1 1 35 35 SER H H 1 9.826 0.020 . 1 . . . A 35 SER H . 18442 1 416 . 1 1 35 35 SER HA H 1 4.296 0.020 . 1 . . . A 35 SER HA . 18442 1 417 . 1 1 35 35 SER HB2 H 1 4.070 0.020 . 2 . . . A 35 SER HB2 . 18442 1 418 . 1 1 35 35 SER HB3 H 1 4.070 0.020 . 2 . . . A 35 SER HB3 . 18442 1 419 . 1 1 35 35 SER C C 13 177.883 0.100 . 1 . . . A 35 SER C . 18442 1 420 . 1 1 35 35 SER CA C 13 61.904 0.100 . 1 . . . A 35 SER CA . 18442 1 421 . 1 1 35 35 SER CB C 13 60.694 0.100 . 1 . . . A 35 SER CB . 18442 1 422 . 1 1 35 35 SER N N 15 115.715 0.100 . 1 . . . A 35 SER N . 18442 1 423 . 1 1 36 36 ALA H H 1 7.894 0.020 . 1 . . . A 36 ALA H . 18442 1 424 . 1 1 36 36 ALA HA H 1 4.474 0.020 . 1 . . . A 36 ALA HA . 18442 1 425 . 1 1 36 36 ALA HB1 H 1 1.782 0.020 . 1 . . . A 36 ALA QB . 18442 1 426 . 1 1 36 36 ALA HB2 H 1 1.782 0.020 . 1 . . . A 36 ALA QB . 18442 1 427 . 1 1 36 36 ALA HB3 H 1 1.782 0.020 . 1 . . . A 36 ALA QB . 18442 1 428 . 1 1 36 36 ALA C C 13 180.060 0.100 . 1 . . . A 36 ALA C . 18442 1 429 . 1 1 36 36 ALA CA C 13 54.875 0.100 . 1 . . . A 36 ALA CA . 18442 1 430 . 1 1 36 36 ALA CB C 13 19.480 0.100 . 1 . . . A 36 ALA CB . 18442 1 431 . 1 1 36 36 ALA N N 15 125.372 0.100 . 1 . . . A 36 ALA N . 18442 1 432 . 1 1 37 37 VAL H H 1 7.375 0.020 . 1 . . . A 37 VAL H . 18442 1 433 . 1 1 37 37 VAL HA H 1 3.231 0.020 . 1 . . . A 37 VAL HA . 18442 1 434 . 1 1 37 37 VAL HB H 1 2.234 0.020 . 1 . . . A 37 VAL HB . 18442 1 435 . 1 1 37 37 VAL HG11 H 1 0.453 0.020 . 1 . . . A 37 VAL QG1 . 18442 1 436 . 1 1 37 37 VAL HG12 H 1 0.453 0.020 . 1 . . . A 37 VAL QG1 . 18442 1 437 . 1 1 37 37 VAL HG13 H 1 0.453 0.020 . 1 . . . A 37 VAL QG1 . 18442 1 438 . 1 1 37 37 VAL HG21 H 1 0.453 0.020 . 1 . . . A 37 VAL QG2 . 18442 1 439 . 1 1 37 37 VAL HG22 H 1 0.453 0.020 . 1 . . . A 37 VAL QG2 . 18442 1 440 . 1 1 37 37 VAL HG23 H 1 0.453 0.020 . 1 . . . A 37 VAL QG2 . 18442 1 441 . 1 1 37 37 VAL C C 13 177.788 0.100 . 1 . . . A 37 VAL C . 18442 1 442 . 1 1 37 37 VAL CA C 13 67.299 0.100 . 1 . . . A 37 VAL CA . 18442 1 443 . 1 1 37 37 VAL CB C 13 31.723 0.100 . 1 . . . A 37 VAL CB . 18442 1 444 . 1 1 37 37 VAL CG1 C 13 22.219 0.100 . 2 . . . A 37 VAL CG1 . 18442 1 445 . 1 1 37 37 VAL N N 15 123.658 0.100 . 1 . . . A 37 VAL N . 18442 1 446 . 1 1 38 38 ASP H H 1 9.013 0.020 . 1 . . . A 38 ASP H . 18442 1 447 . 1 1 38 38 ASP HA H 1 4.455 0.020 . 1 . . . A 38 ASP HA . 18442 1 448 . 1 1 38 38 ASP HB2 H 1 2.712 0.020 . 2 . . . A 38 ASP HB2 . 18442 1 449 . 1 1 38 38 ASP HB3 H 1 2.712 0.020 . 2 . . . A 38 ASP HB3 . 18442 1 450 . 1 1 38 38 ASP C C 13 181.139 0.100 . 1 . . . A 38 ASP C . 18442 1 451 . 1 1 38 38 ASP CA C 13 57.034 0.100 . 1 . . . A 38 ASP CA . 18442 1 452 . 1 1 38 38 ASP CB C 13 40.347 0.100 . 1 . . . A 38 ASP CB . 18442 1 453 . 1 1 38 38 ASP N N 15 119.153 0.100 . 1 . . . A 38 ASP N . 18442 1 454 . 1 1 39 39 ALA H H 1 7.950 0.020 . 1 . . . A 39 ALA H . 18442 1 455 . 1 1 39 39 ALA HA H 1 4.209 0.020 . 1 . . . A 39 ALA HA . 18442 1 456 . 1 1 39 39 ALA HB1 H 1 1.640 0.020 . 1 . . . A 39 ALA QB . 18442 1 457 . 1 1 39 39 ALA HB2 H 1 1.640 0.020 . 1 . . . A 39 ALA QB . 18442 1 458 . 1 1 39 39 ALA HB3 H 1 1.640 0.020 . 1 . . . A 39 ALA QB . 18442 1 459 . 1 1 39 39 ALA C C 13 178.545 0.100 . 1 . . . A 39 ALA C . 18442 1 460 . 1 1 39 39 ALA CA C 13 54.958 0.100 . 1 . . . A 39 ALA CA . 18442 1 461 . 1 1 39 39 ALA CB C 13 17.990 0.100 . 1 . . . A 39 ALA CB . 18442 1 462 . 1 1 39 39 ALA N N 15 122.566 0.100 . 1 . . . A 39 ALA N . 18442 1 463 . 1 1 40 40 ALA H H 1 7.261 0.020 . 1 . . . A 40 ALA H . 18442 1 464 . 1 1 40 40 ALA HA H 1 4.531 0.020 . 1 . . . A 40 ALA HA . 18442 1 465 . 1 1 40 40 ALA HB1 H 1 1.595 0.020 . 1 . . . A 40 ALA QB . 18442 1 466 . 1 1 40 40 ALA HB2 H 1 1.595 0.020 . 1 . . . A 40 ALA QB . 18442 1 467 . 1 1 40 40 ALA HB3 H 1 1.595 0.020 . 1 . . . A 40 ALA QB . 18442 1 468 . 1 1 40 40 ALA C C 13 177.523 0.100 . 1 . . . A 40 ALA C . 18442 1 469 . 1 1 40 40 ALA CA C 13 52.177 0.100 . 1 . . . A 40 ALA CA . 18442 1 470 . 1 1 40 40 ALA CB C 13 19.853 0.100 . 1 . . . A 40 ALA CB . 18442 1 471 . 1 1 40 40 ALA N N 15 118.104 0.100 . 1 . . . A 40 ALA N . 18442 1 472 . 1 1 41 41 GLY H H 1 8.067 0.020 . 1 . . . A 41 GLY H . 18442 1 473 . 1 1 41 41 GLY HA2 H 1 4.053 0.020 . 2 . . . A 41 GLY HA2 . 18442 1 474 . 1 1 41 41 GLY HA3 H 1 3.835 0.020 . 2 . . . A 41 GLY HA3 . 18442 1 475 . 1 1 41 41 GLY C C 13 174.362 0.100 . 1 . . . A 41 GLY C . 18442 1 476 . 1 1 41 41 GLY CA C 13 45.743 0.100 . 1 . . . A 41 GLY CA . 18442 1 477 . 1 1 41 41 GLY N N 15 107.328 0.100 . 1 . . . A 41 GLY N . 18442 1 478 . 1 1 42 42 LEU H H 1 7.326 0.020 . 1 . . . A 42 LEU H . 18442 1 479 . 1 1 42 42 LEU HA H 1 4.498 0.020 . 1 . . . A 42 LEU HA . 18442 1 480 . 1 1 42 42 LEU HB2 H 1 1.629 0.020 . 2 . . . A 42 LEU HB2 . 18442 1 481 . 1 1 42 42 LEU HB3 H 1 1.463 0.020 . 2 . . . A 42 LEU HB3 . 18442 1 482 . 1 1 42 42 LEU HG H 1 1.508 0.020 . 1 . . . A 42 LEU HG . 18442 1 483 . 1 1 42 42 LEU HD11 H 1 0.882 0.020 . 1 . . . A 42 LEU QD1 . 18442 1 484 . 1 1 42 42 LEU HD12 H 1 0.882 0.020 . 1 . . . A 42 LEU QD1 . 18442 1 485 . 1 1 42 42 LEU HD13 H 1 0.882 0.020 . 1 . . . A 42 LEU QD1 . 18442 1 486 . 1 1 42 42 LEU HD21 H 1 0.733 0.020 . 1 . . . A 42 LEU QD2 . 18442 1 487 . 1 1 42 42 LEU HD22 H 1 0.733 0.020 . 1 . . . A 42 LEU QD2 . 18442 1 488 . 1 1 42 42 LEU HD23 H 1 0.733 0.020 . 1 . . . A 42 LEU QD2 . 18442 1 489 . 1 1 42 42 LEU C C 13 176.766 0.100 . 1 . . . A 42 LEU C . 18442 1 490 . 1 1 42 42 LEU CA C 13 53.440 0.100 . 1 . . . A 42 LEU CA . 18442 1 491 . 1 1 42 42 LEU CB C 13 43.807 0.100 . 1 . . . A 42 LEU CB . 18442 1 492 . 1 1 42 42 LEU CG C 13 26.683 0.100 . 1 . . . A 42 LEU CG . 18442 1 493 . 1 1 42 42 LEU CD1 C 13 22.539 0.100 . 2 . . . A 42 LEU CD1 . 18442 1 494 . 1 1 42 42 LEU CD2 C 13 25.713 0.100 . 2 . . . A 42 LEU CD2 . 18442 1 495 . 1 1 42 42 LEU N N 15 118.370 0.100 . 1 . . . A 42 LEU N . 18442 1 496 . 1 1 43 43 HIS H H 1 8.920 0.020 . 1 . . . A 43 HIS H . 18442 1 497 . 1 1 43 43 HIS HA H 1 4.556 0.020 . 1 . . . A 43 HIS HA . 18442 1 498 . 1 1 43 43 HIS HB2 H 1 3.260 0.020 . 2 . . . A 43 HIS HB2 . 18442 1 499 . 1 1 43 43 HIS HB3 H 1 3.260 0.020 . 2 . . . A 43 HIS HB3 . 18442 1 500 . 1 1 43 43 HIS HD2 H 1 6.887 0.020 . 1 . . . A 43 HIS HD2 . 18442 1 501 . 1 1 43 43 HIS HE1 H 1 8.035 0.020 . 1 . . . A 43 HIS HE1 . 18442 1 502 . 1 1 43 43 HIS C C 13 174.457 0.100 . 1 . . . A 43 HIS C . 18442 1 503 . 1 1 43 43 HIS CA C 13 57.054 0.100 . 1 . . . A 43 HIS CA . 18442 1 504 . 1 1 43 43 HIS CB C 13 29.860 0.100 . 1 . . . A 43 HIS CB . 18442 1 505 . 1 1 43 43 HIS CD2 C 13 118.329 0.100 . 1 . . . A 43 HIS CD2 . 18442 1 506 . 1 1 43 43 HIS CE1 C 13 141.106 0.100 . 1 . . . A 43 HIS CE1 . 18442 1 507 . 1 1 43 43 HIS N N 15 117.293 0.100 . 1 . . . A 43 HIS N . 18442 1 508 . 1 1 44 44 SER H H 1 7.644 0.020 . 1 . . . A 44 SER H . 18442 1 509 . 1 1 44 44 SER HA H 1 4.063 0.020 . 1 . . . A 44 SER HA . 18442 1 510 . 1 1 44 44 SER HB2 H 1 3.831 0.020 . 2 . . . A 44 SER HB2 . 18442 1 511 . 1 1 44 44 SER HB3 H 1 3.789 0.020 . 2 . . . A 44 SER HB3 . 18442 1 512 . 1 1 44 44 SER C C 13 171.920 0.100 . 1 . . . A 44 SER C . 18442 1 513 . 1 1 44 44 SER CA C 13 57.034 0.100 . 1 . . . A 44 SER CA . 18442 1 514 . 1 1 44 44 SER CB C 13 63.981 0.100 . 1 . . . A 44 SER CB . 18442 1 515 . 1 1 44 44 SER N N 15 110.393 0.100 . 1 . . . A 44 SER N . 18442 1 516 . 1 1 45 45 LEU H H 1 6.549 0.020 . 1 . . . A 45 LEU H . 18442 1 517 . 1 1 45 45 LEU HA H 1 4.593 0.020 . 1 . . . A 45 LEU HA . 18442 1 518 . 1 1 45 45 LEU HB2 H 1 1.104 0.020 . 2 . . . A 45 LEU HB2 . 18442 1 519 . 1 1 45 45 LEU HB3 H 1 0.781 0.020 . 2 . . . A 45 LEU HB3 . 18442 1 520 . 1 1 45 45 LEU HG H 1 0.881 0.020 . 1 . . . A 45 LEU HG . 18442 1 521 . 1 1 45 45 LEU HD11 H 1 0.327 0.020 . 1 . . . A 45 LEU QD1 . 18442 1 522 . 1 1 45 45 LEU HD12 H 1 0.327 0.020 . 1 . . . A 45 LEU QD1 . 18442 1 523 . 1 1 45 45 LEU HD13 H 1 0.327 0.020 . 1 . . . A 45 LEU QD1 . 18442 1 524 . 1 1 45 45 LEU HD21 H 1 0.554 0.020 . 1 . . . A 45 LEU QD2 . 18442 1 525 . 1 1 45 45 LEU HD22 H 1 0.554 0.020 . 1 . . . A 45 LEU QD2 . 18442 1 526 . 1 1 45 45 LEU HD23 H 1 0.554 0.020 . 1 . . . A 45 LEU QD2 . 18442 1 527 . 1 1 45 45 LEU C C 13 174.760 0.100 . 1 . . . A 45 LEU C . 18442 1 528 . 1 1 45 45 LEU CA C 13 53.546 0.100 . 1 . . . A 45 LEU CA . 18442 1 529 . 1 1 45 45 LEU CB C 13 45.191 0.100 . 1 . . . A 45 LEU CB . 18442 1 530 . 1 1 45 45 LEU CG C 13 26.280 0.100 . 1 . . . A 45 LEU CG . 18442 1 531 . 1 1 45 45 LEU CD1 C 13 26.036 0.100 . 2 . . . A 45 LEU CD1 . 18442 1 532 . 1 1 45 45 LEU CD2 C 13 23.074 0.100 . 2 . . . A 45 LEU CD2 . 18442 1 533 . 1 1 45 45 LEU N N 15 117.296 0.100 . 1 . . . A 45 LEU N . 18442 1 534 . 1 1 46 46 GLU H H 1 8.389 0.020 . 1 . . . A 46 GLU H . 18442 1 535 . 1 1 46 46 GLU HA H 1 4.588 0.020 . 1 . . . A 46 GLU HA . 18442 1 536 . 1 1 46 46 GLU HB2 H 1 2.033 0.020 . 2 . . . A 46 GLU HB2 . 18442 1 537 . 1 1 46 46 GLU HB3 H 1 1.743 0.020 . 2 . . . A 46 GLU HB3 . 18442 1 538 . 1 1 46 46 GLU HG2 H 1 2.242 0.020 . 2 . . . A 46 GLU HG2 . 18442 1 539 . 1 1 46 46 GLU HG3 H 1 2.242 0.020 . 2 . . . A 46 GLU HG3 . 18442 1 540 . 1 1 46 46 GLU C C 13 175.422 0.100 . 1 . . . A 46 GLU C . 18442 1 541 . 1 1 46 46 GLU CA C 13 54.359 0.100 . 1 . . . A 46 GLU CA . 18442 1 542 . 1 1 46 46 GLU CB C 13 32.256 0.100 . 1 . . . A 46 GLU CB . 18442 1 543 . 1 1 46 46 GLU CG C 13 36.006 0.100 . 1 . . . A 46 GLU CG . 18442 1 544 . 1 1 46 46 GLU N N 15 119.812 0.100 . 1 . . . A 46 GLU N . 18442 1 545 . 1 1 47 47 GLU H H 1 8.737 0.020 . 1 . . . A 47 GLU H . 18442 1 546 . 1 1 47 47 GLU HA H 1 3.566 0.020 . 1 . . . A 47 GLU HA . 18442 1 547 . 1 1 47 47 GLU HB2 H 1 2.145 0.020 . 2 . . . A 47 GLU HB2 . 18442 1 548 . 1 1 47 47 GLU HB3 H 1 2.056 0.020 . 2 . . . A 47 GLU HB3 . 18442 1 549 . 1 1 47 47 GLU HG2 H 1 2.612 0.020 . 2 . . . A 47 GLU HG2 . 18442 1 550 . 1 1 47 47 GLU HG3 H 1 2.372 0.020 . 2 . . . A 47 GLU HG3 . 18442 1 551 . 1 1 47 47 GLU C C 13 177.391 0.100 . 1 . . . A 47 GLU C . 18442 1 552 . 1 1 47 47 GLU CA C 13 58.594 0.100 . 1 . . . A 47 GLU CA . 18442 1 553 . 1 1 47 47 GLU CB C 13 29.594 0.100 . 1 . . . A 47 GLU CB . 18442 1 554 . 1 1 47 47 GLU CG C 13 36.112 0.100 . 1 . . . A 47 GLU CG . 18442 1 555 . 1 1 47 47 GLU N N 15 121.908 0.100 . 1 . . . A 47 GLU N . 18442 1 556 . 1 1 48 48 GLY H H 1 9.059 0.020 . 1 . . . A 48 GLY H . 18442 1 557 . 1 1 48 48 GLY HA2 H 1 4.387 0.020 . 2 . . . A 48 GLY HA2 . 18442 1 558 . 1 1 48 48 GLY HA3 H 1 3.637 0.020 . 2 . . . A 48 GLY HA3 . 18442 1 559 . 1 1 48 48 GLY C C 13 173.946 0.100 . 1 . . . A 48 GLY C . 18442 1 560 . 1 1 48 48 GLY CA C 13 45.449 0.100 . 1 . . . A 48 GLY CA . 18442 1 561 . 1 1 48 48 GLY N N 15 113.495 0.100 . 1 . . . A 48 GLY N . 18442 1 562 . 1 1 49 49 GLN H H 1 7.770 0.020 . 1 . . . A 49 GLN H . 18442 1 563 . 1 1 49 49 GLN HA H 1 4.213 0.020 . 1 . . . A 49 GLN HA . 18442 1 564 . 1 1 49 49 GLN HB2 H 1 2.204 0.020 . 2 . . . A 49 GLN HB2 . 18442 1 565 . 1 1 49 49 GLN HB3 H 1 1.982 0.020 . 2 . . . A 49 GLN HB3 . 18442 1 566 . 1 1 49 49 GLN HG2 H 1 2.428 0.020 . 2 . . . A 49 GLN HG2 . 18442 1 567 . 1 1 49 49 GLN HG3 H 1 2.356 0.020 . 2 . . . A 49 GLN HG3 . 18442 1 568 . 1 1 49 49 GLN HE21 H 1 6.751 0.020 . 2 . . . A 49 GLN HE21 . 18442 1 569 . 1 1 49 49 GLN HE22 H 1 7.767 0.020 . 2 . . . A 49 GLN HE22 . 18442 1 570 . 1 1 49 49 GLN C C 13 175.744 0.100 . 1 . . . A 49 GLN C . 18442 1 571 . 1 1 49 49 GLN CA C 13 56.993 0.100 . 1 . . . A 49 GLN CA . 18442 1 572 . 1 1 49 49 GLN CB C 13 30.552 0.100 . 1 . . . A 49 GLN CB . 18442 1 573 . 1 1 49 49 GLN CG C 13 34.723 0.100 . 1 . . . A 49 GLN CG . 18442 1 574 . 1 1 49 49 GLN N N 15 119.986 0.100 . 1 . . . A 49 GLN N . 18442 1 575 . 1 1 49 49 GLN NE2 N 15 111.879 0.100 . 1 . . . A 49 GLN NE2 . 18442 1 576 . 1 1 50 50 ASP H H 1 8.608 0.020 . 1 . . . A 50 ASP H . 18442 1 577 . 1 1 50 50 ASP HA H 1 5.243 0.020 . 1 . . . A 50 ASP HA . 18442 1 578 . 1 1 50 50 ASP HB2 H 1 2.755 0.020 . 2 . . . A 50 ASP HB2 . 18442 1 579 . 1 1 50 50 ASP HB3 H 1 2.646 0.020 . 2 . . . A 50 ASP HB3 . 18442 1 580 . 1 1 50 50 ASP C C 13 175.914 0.100 . 1 . . . A 50 ASP C . 18442 1 581 . 1 1 50 50 ASP CA C 13 55.322 0.100 . 1 . . . A 50 ASP CA . 18442 1 582 . 1 1 50 50 ASP CB C 13 42.636 0.100 . 1 . . . A 50 ASP CB . 18442 1 583 . 1 1 50 50 ASP N N 15 125.478 0.100 . 1 . . . A 50 ASP N . 18442 1 584 . 1 1 51 51 VAL H H 1 8.793 0.020 . 1 . . . A 51 VAL H . 18442 1 585 . 1 1 51 51 VAL HA H 1 5.161 0.020 . 1 . . . A 51 VAL HA . 18442 1 586 . 1 1 51 51 VAL HB H 1 2.029 0.020 . 1 . . . A 51 VAL HB . 18442 1 587 . 1 1 51 51 VAL HG11 H 1 0.778 0.020 . 1 . . . A 51 VAL QG1 . 18442 1 588 . 1 1 51 51 VAL HG12 H 1 0.778 0.020 . 1 . . . A 51 VAL QG1 . 18442 1 589 . 1 1 51 51 VAL HG13 H 1 0.778 0.020 . 1 . . . A 51 VAL QG1 . 18442 1 590 . 1 1 51 51 VAL HG21 H 1 0.718 0.020 . 1 . . . A 51 VAL QG2 . 18442 1 591 . 1 1 51 51 VAL HG22 H 1 0.718 0.020 . 1 . . . A 51 VAL QG2 . 18442 1 592 . 1 1 51 51 VAL HG23 H 1 0.718 0.020 . 1 . . . A 51 VAL QG2 . 18442 1 593 . 1 1 51 51 VAL C C 13 172.980 0.100 . 1 . . . A 51 VAL C . 18442 1 594 . 1 1 51 51 VAL CA C 13 59.344 0.100 . 1 . . . A 51 VAL CA . 18442 1 595 . 1 1 51 51 VAL CB C 13 36.833 0.100 . 1 . . . A 51 VAL CB . 18442 1 596 . 1 1 51 51 VAL CG1 C 13 22.005 0.100 . 2 . . . A 51 VAL CG1 . 18442 1 597 . 1 1 51 51 VAL CG2 C 13 20.295 0.100 . 2 . . . A 51 VAL CG2 . 18442 1 598 . 1 1 51 51 VAL N N 15 117.833 0.100 . 1 . . . A 51 VAL N . 18442 1 599 . 1 1 52 52 ILE H H 1 8.990 0.020 . 1 . . . A 52 ILE H . 18442 1 600 . 1 1 52 52 ILE HA H 1 5.256 0.020 . 1 . . . A 52 ILE HA . 18442 1 601 . 1 1 52 52 ILE HB H 1 1.524 0.020 . 1 . . . A 52 ILE HB . 18442 1 602 . 1 1 52 52 ILE HG12 H 1 1.514 0.020 . 2 . . . A 52 ILE HG12 . 18442 1 603 . 1 1 52 52 ILE HG13 H 1 0.983 0.020 . 2 . . . A 52 ILE HG13 . 18442 1 604 . 1 1 52 52 ILE HG21 H 1 0.769 0.020 . 1 . . . A 52 ILE QG2 . 18442 1 605 . 1 1 52 52 ILE HG22 H 1 0.769 0.020 . 1 . . . A 52 ILE QG2 . 18442 1 606 . 1 1 52 52 ILE HG23 H 1 0.769 0.020 . 1 . . . A 52 ILE QG2 . 18442 1 607 . 1 1 52 52 ILE HD11 H 1 0.810 0.020 . 1 . . . A 52 ILE QD1 . 18442 1 608 . 1 1 52 52 ILE HD12 H 1 0.810 0.020 . 1 . . . A 52 ILE QD1 . 18442 1 609 . 1 1 52 52 ILE HD13 H 1 0.810 0.020 . 1 . . . A 52 ILE QD1 . 18442 1 610 . 1 1 52 52 ILE C C 13 174.741 0.100 . 1 . . . A 52 ILE C . 18442 1 611 . 1 1 52 52 ILE CA C 13 59.642 0.100 . 1 . . . A 52 ILE CA . 18442 1 612 . 1 1 52 52 ILE CB C 13 40.775 0.100 . 1 . . . A 52 ILE CB . 18442 1 613 . 1 1 52 52 ILE CG1 C 13 28.301 0.100 . 1 . . . A 52 ILE CG1 . 18442 1 614 . 1 1 52 52 ILE CG2 C 13 17.300 0.100 . 1 . . . A 52 ILE CG2 . 18442 1 615 . 1 1 52 52 ILE CD1 C 13 13.989 0.100 . 1 . . . A 52 ILE CD1 . 18442 1 616 . 1 1 52 52 ILE N N 15 123.702 0.100 . 1 . . . A 52 ILE N . 18442 1 617 . 1 1 53 53 PHE H H 1 9.115 0.020 . 1 . . . A 53 PHE H . 18442 1 618 . 1 1 53 53 PHE HA H 1 5.226 0.020 . 1 . . . A 53 PHE HA . 18442 1 619 . 1 1 53 53 PHE HB2 H 1 2.810 0.020 . 2 . . . A 53 PHE HB2 . 18442 1 620 . 1 1 53 53 PHE HB3 H 1 3.185 0.020 . 2 . . . A 53 PHE HB3 . 18442 1 621 . 1 1 53 53 PHE HD1 H 1 6.967 0.020 . 3 . . . A 53 PHE HD1 . 18442 1 622 . 1 1 53 53 PHE HD2 H 1 6.967 0.020 . 3 . . . A 53 PHE HD2 . 18442 1 623 . 1 1 53 53 PHE HE1 H 1 6.841 0.020 . 3 . . . A 53 PHE HE1 . 18442 1 624 . 1 1 53 53 PHE HE2 H 1 6.841 0.020 . 3 . . . A 53 PHE HE2 . 18442 1 625 . 1 1 53 53 PHE HZ H 1 6.845 0.020 . 1 . . . A 53 PHE HZ . 18442 1 626 . 1 1 53 53 PHE C C 13 171.371 0.100 . 1 . . . A 53 PHE C . 18442 1 627 . 1 1 53 53 PHE CA C 13 55.794 0.100 . 1 . . . A 53 PHE CA . 18442 1 628 . 1 1 53 53 PHE CB C 13 41.678 0.100 . 1 . . . A 53 PHE CB . 18442 1 629 . 1 1 53 53 PHE CD1 C 13 132.565 0.100 . 3 . . . A 53 PHE CD1 . 18442 1 630 . 1 1 53 53 PHE CE1 C 13 130.235 0.100 . 3 . . . A 53 PHE CE1 . 18442 1 631 . 1 1 53 53 PHE CZ C 13 128.682 0.100 . 1 . . . A 53 PHE CZ . 18442 1 632 . 1 1 53 53 PHE N N 15 122.138 0.100 . 1 . . . A 53 PHE N . 18442 1 633 . 1 1 54 54 ASP H H 1 8.955 0.020 . 1 . . . A 54 ASP H . 18442 1 634 . 1 1 54 54 ASP HA H 1 5.175 0.020 . 1 . . . A 54 ASP HA . 18442 1 635 . 1 1 54 54 ASP HB2 H 1 2.457 0.020 . 2 . . . A 54 ASP HB2 . 18442 1 636 . 1 1 54 54 ASP HB3 H 1 2.847 0.020 . 2 . . . A 54 ASP HB3 . 18442 1 637 . 1 1 54 54 ASP C C 13 174.476 0.100 . 1 . . . A 54 ASP C . 18442 1 638 . 1 1 54 54 ASP CA C 13 52.157 0.100 . 1 . . . A 54 ASP CA . 18442 1 639 . 1 1 54 54 ASP CB C 13 42.689 0.100 . 1 . . . A 54 ASP CB . 18442 1 640 . 1 1 54 54 ASP N N 15 117.945 0.100 . 1 . . . A 54 ASP N . 18442 1 641 . 1 1 55 55 LEU H H 1 8.539 0.020 . 1 . . . A 55 LEU H . 18442 1 642 . 1 1 55 55 LEU HA H 1 5.269 0.020 . 1 . . . A 55 LEU HA . 18442 1 643 . 1 1 55 55 LEU HB2 H 1 1.804 0.020 . 2 . . . A 55 LEU HB2 . 18442 1 644 . 1 1 55 55 LEU HB3 H 1 1.566 0.020 . 2 . . . A 55 LEU HB3 . 18442 1 645 . 1 1 55 55 LEU HG H 1 1.585 0.020 . 1 . . . A 55 LEU HG . 18442 1 646 . 1 1 55 55 LEU HD11 H 1 1.011 0.020 . 1 . . . A 55 LEU QD1 . 18442 1 647 . 1 1 55 55 LEU HD12 H 1 1.011 0.020 . 1 . . . A 55 LEU QD1 . 18442 1 648 . 1 1 55 55 LEU HD13 H 1 1.011 0.020 . 1 . . . A 55 LEU QD1 . 18442 1 649 . 1 1 55 55 LEU HD21 H 1 0.958 0.020 . 1 . . . A 55 LEU QD2 . 18442 1 650 . 1 1 55 55 LEU HD22 H 1 0.958 0.020 . 1 . . . A 55 LEU QD2 . 18442 1 651 . 1 1 55 55 LEU HD23 H 1 0.958 0.020 . 1 . . . A 55 LEU QD2 . 18442 1 652 . 1 1 55 55 LEU C C 13 176.160 0.100 . 1 . . . A 55 LEU C . 18442 1 653 . 1 1 55 55 LEU CA C 13 54.513 0.100 . 1 . . . A 55 LEU CA . 18442 1 654 . 1 1 55 55 LEU CB C 13 46.096 0.100 . 1 . . . A 55 LEU CB . 18442 1 655 . 1 1 55 55 LEU CG C 13 27.669 0.100 . 1 . . . A 55 LEU CG . 18442 1 656 . 1 1 55 55 LEU CD1 C 13 25.852 0.100 . 2 . . . A 55 LEU CD1 . 18442 1 657 . 1 1 55 55 LEU CD2 C 13 25.852 0.100 . 2 . . . A 55 LEU CD2 . 18442 1 658 . 1 1 55 55 LEU N N 15 122.822 0.100 . 1 . . . A 55 LEU N . 18442 1 659 . 1 1 56 56 GLU H H 1 9.114 0.020 . 1 . . . A 56 GLU H . 18442 1 660 . 1 1 56 56 GLU HA H 1 4.681 0.020 . 1 . . . A 56 GLU HA . 18442 1 661 . 1 1 56 56 GLU HB2 H 1 1.796 0.020 . 2 . . . A 56 GLU HB2 . 18442 1 662 . 1 1 56 56 GLU HB3 H 1 1.796 0.020 . 2 . . . A 56 GLU HB3 . 18442 1 663 . 1 1 56 56 GLU HG2 H 1 2.118 0.020 . 2 . . . A 56 GLU HG2 . 18442 1 664 . 1 1 56 56 GLU HG3 H 1 2.118 0.020 . 2 . . . A 56 GLU HG3 . 18442 1 665 . 1 1 56 56 GLU C C 13 174.286 0.100 . 1 . . . A 56 GLU C . 18442 1 666 . 1 1 56 56 GLU CA C 13 55.110 0.100 . 1 . . . A 56 GLU CA . 18442 1 667 . 1 1 56 56 GLU CB C 13 33.533 0.100 . 1 . . . A 56 GLU CB . 18442 1 668 . 1 1 56 56 GLU CG C 13 36.861 0.100 . 1 . . . A 56 GLU CG . 18442 1 669 . 1 1 56 56 GLU N N 15 127.126 0.000 . 1 . . . A 56 GLU N . 18442 1 670 . 1 1 57 57 GLU H H 1 8.602 0.020 . 1 . . . A 57 GLU H . 18442 1 671 . 1 1 57 57 GLU HA H 1 5.305 0.020 . 1 . . . A 57 GLU HA . 18442 1 672 . 1 1 57 57 GLU HB2 H 1 1.925 0.020 . 2 . . . A 57 GLU HB2 . 18442 1 673 . 1 1 57 57 GLU HB3 H 1 1.925 0.020 . 2 . . . A 57 GLU HB3 . 18442 1 674 . 1 1 57 57 GLU HG2 H 1 2.115 0.020 . 2 . . . A 57 GLU HG2 . 18442 1 675 . 1 1 57 57 GLU HG3 H 1 2.011 0.020 . 2 . . . A 57 GLU HG3 . 18442 1 676 . 1 1 57 57 GLU C C 13 176.141 0.100 . 1 . . . A 57 GLU C . 18442 1 677 . 1 1 57 57 GLU CA C 13 55.322 0.100 . 1 . . . A 57 GLU CA . 18442 1 678 . 1 1 57 57 GLU CB C 13 32.149 0.100 . 1 . . . A 57 GLU CB . 18442 1 679 . 1 1 57 57 GLU CG C 13 36.861 0.100 . 1 . . . A 57 GLU CG . 18442 1 680 . 1 1 57 57 GLU N N 15 123.991 0.100 . 1 . . . A 57 GLU N . 18442 1 681 . 1 1 58 58 LYS H H 1 8.885 0.020 . 1 . . . A 58 LYS H . 18442 1 682 . 1 1 58 58 LYS HA H 1 4.641 0.020 . 1 . . . A 58 LYS HA . 18442 1 683 . 1 1 58 58 LYS HB2 H 1 1.821 0.020 . 2 . . . A 58 LYS HB2 . 18442 1 684 . 1 1 58 58 LYS HB3 H 1 1.821 0.020 . 2 . . . A 58 LYS HB3 . 18442 1 685 . 1 1 58 58 LYS HG2 H 1 1.375 0.020 . 2 . . . A 58 LYS HG2 . 18442 1 686 . 1 1 58 58 LYS HG3 H 1 1.375 0.020 . 2 . . . A 58 LYS HG3 . 18442 1 687 . 1 1 58 58 LYS HD2 H 1 1.540 0.020 . 2 . . . A 58 LYS HD2 . 18442 1 688 . 1 1 58 58 LYS HD3 H 1 1.540 0.020 . 2 . . . A 58 LYS HD3 . 18442 1 689 . 1 1 58 58 LYS HE2 H 1 2.766 0.020 . 2 . . . A 58 LYS HE2 . 18442 1 690 . 1 1 58 58 LYS HE3 H 1 2.766 0.020 . 2 . . . A 58 LYS HE3 . 18442 1 691 . 1 1 58 58 LYS C C 13 176.028 0.100 . 1 . . . A 58 LYS C . 18442 1 692 . 1 1 58 58 LYS CA C 13 56.049 0.100 . 1 . . . A 58 LYS CA . 18442 1 693 . 1 1 58 58 LYS CB C 13 35.449 0.100 . 1 . . . A 58 LYS CB . 18442 1 694 . 1 1 58 58 LYS CG C 13 24.997 0.100 . 1 . . . A 58 LYS CG . 18442 1 695 . 1 1 58 58 LYS CD C 13 29.166 0.100 . 1 . . . A 58 LYS CD . 18442 1 696 . 1 1 58 58 LYS CE C 13 41.884 0.100 . 1 . . . A 58 LYS CE . 18442 1 697 . 1 1 58 58 LYS N N 15 123.941 0.100 . 1 . . . A 58 LYS N . 18442 1 698 . 1 1 59 59 GLN H H 1 9.521 0.020 . 1 . . . A 59 GLN H . 18442 1 699 . 1 1 59 59 GLN HA H 1 3.972 0.020 . 1 . . . A 59 GLN HA . 18442 1 700 . 1 1 59 59 GLN HB2 H 1 2.357 0.020 . 2 . . . A 59 GLN HB2 . 18442 1 701 . 1 1 59 59 GLN HB3 H 1 2.095 0.020 . 2 . . . A 59 GLN HB3 . 18442 1 702 . 1 1 59 59 GLN HG2 H 1 2.395 0.020 . 2 . . . A 59 GLN HG2 . 18442 1 703 . 1 1 59 59 GLN HG3 H 1 2.395 0.020 . 2 . . . A 59 GLN HG3 . 18442 1 704 . 1 1 59 59 GLN HE21 H 1 7.567 0.020 . 2 . . . A 59 GLN HE21 . 18442 1 705 . 1 1 59 59 GLN HE22 H 1 6.880 0.020 . 2 . . . A 59 GLN HE22 . 18442 1 706 . 1 1 59 59 GLN C C 13 175.933 0.100 . 1 . . . A 59 GLN C . 18442 1 707 . 1 1 59 59 GLN CA C 13 56.819 0.100 . 1 . . . A 59 GLN CA . 18442 1 708 . 1 1 59 59 GLN CB C 13 27.145 0.100 . 1 . . . A 59 GLN CB . 18442 1 709 . 1 1 59 59 GLN CG C 13 34.723 0.100 . 1 . . . A 59 GLN CG . 18442 1 710 . 1 1 59 59 GLN N N 15 123.860 0.100 . 1 . . . A 59 GLN N . 18442 1 711 . 1 1 59 59 GLN NE2 N 15 111.978 0.100 . 1 . . . A 59 GLN NE2 . 18442 1 712 . 1 1 60 60 GLY H H 1 8.774 0.020 . 1 . . . A 60 GLY H . 18442 1 713 . 1 1 60 60 GLY HA2 H 1 4.178 0.020 . 2 . . . A 60 GLY HA2 . 18442 1 714 . 1 1 60 60 GLY HA3 H 1 3.689 0.020 . 2 . . . A 60 GLY HA3 . 18442 1 715 . 1 1 60 60 GLY C C 13 173.794 0.100 . 1 . . . A 60 GLY C . 18442 1 716 . 1 1 60 60 GLY CA C 13 45.741 0.100 . 1 . . . A 60 GLY CA . 18442 1 717 . 1 1 60 60 GLY N N 15 104.690 0.100 . 1 . . . A 60 GLY N . 18442 1 718 . 1 1 61 61 LYS H H 1 7.879 0.020 . 1 . . . A 61 LYS H . 18442 1 719 . 1 1 61 61 LYS HA H 1 4.656 0.020 . 1 . . . A 61 LYS HA . 18442 1 720 . 1 1 61 61 LYS HB2 H 1 1.818 0.020 . 2 . . . A 61 LYS HB2 . 18442 1 721 . 1 1 61 61 LYS HB3 H 1 1.818 0.020 . 2 . . . A 61 LYS HB3 . 18442 1 722 . 1 1 61 61 LYS HG2 H 1 1.264 0.020 . 2 . . . A 61 LYS HG2 . 18442 1 723 . 1 1 61 61 LYS HG3 H 1 1.264 0.020 . 2 . . . A 61 LYS HG3 . 18442 1 724 . 1 1 61 61 LYS HD2 H 1 1.483 0.020 . 2 . . . A 61 LYS HD2 . 18442 1 725 . 1 1 61 61 LYS HD3 H 1 1.483 0.020 . 2 . . . A 61 LYS HD3 . 18442 1 726 . 1 1 61 61 LYS HE2 H 1 2.696 0.020 . 2 . . . A 61 LYS HE2 . 18442 1 727 . 1 1 61 61 LYS HE3 H 1 2.696 0.020 . 2 . . . A 61 LYS HE3 . 18442 1 728 . 1 1 61 61 LYS C C 13 173.964 0.100 . 1 . . . A 61 LYS C . 18442 1 729 . 1 1 61 61 LYS CA C 13 55.087 0.100 . 1 . . . A 61 LYS CA . 18442 1 730 . 1 1 61 61 LYS CB C 13 35.130 0.100 . 1 . . . A 61 LYS CB . 18442 1 731 . 1 1 61 61 LYS CG C 13 24.997 0.100 . 1 . . . A 61 LYS CG . 18442 1 732 . 1 1 61 61 LYS CD C 13 29.059 0.100 . 1 . . . A 61 LYS CD . 18442 1 733 . 1 1 61 61 LYS CE C 13 42.418 0.100 . 1 . . . A 61 LYS CE . 18442 1 734 . 1 1 61 61 LYS N N 15 121.572 0.100 . 1 . . . A 61 LYS N . 18442 1 735 . 1 1 62 62 ALA H H 1 8.371 0.020 . 1 . . . A 62 ALA H . 18442 1 736 . 1 1 62 62 ALA HA H 1 5.180 0.020 . 1 . . . A 62 ALA HA . 18442 1 737 . 1 1 62 62 ALA HB1 H 1 1.481 0.020 . 1 . . . A 62 ALA QB . 18442 1 738 . 1 1 62 62 ALA HB2 H 1 1.481 0.020 . 1 . . . A 62 ALA QB . 18442 1 739 . 1 1 62 62 ALA HB3 H 1 1.481 0.020 . 1 . . . A 62 ALA QB . 18442 1 740 . 1 1 62 62 ALA C C 13 176.652 0.100 . 1 . . . A 62 ALA C . 18442 1 741 . 1 1 62 62 ALA CA C 13 51.236 0.100 . 1 . . . A 62 ALA CA . 18442 1 742 . 1 1 62 62 ALA CB C 13 21.184 0.100 . 1 . . . A 62 ALA CB . 18442 1 743 . 1 1 62 62 ALA N N 15 125.544 0.100 . 1 . . . A 62 ALA N . 18442 1 744 . 1 1 63 63 TYR H H 1 9.100 0.020 . 1 . . . A 63 TYR H . 18442 1 745 . 1 1 63 63 TYR HA H 1 5.372 0.020 . 1 . . . A 63 TYR HA . 18442 1 746 . 1 1 63 63 TYR HB2 H 1 3.196 0.020 . 2 . . . A 63 TYR HB2 . 18442 1 747 . 1 1 63 63 TYR HB3 H 1 3.089 0.020 . 2 . . . A 63 TYR HB3 . 18442 1 748 . 1 1 63 63 TYR HD1 H 1 7.178 0.020 . 3 . . . A 63 TYR HD1 . 18442 1 749 . 1 1 63 63 TYR HD2 H 1 7.178 0.020 . 3 . . . A 63 TYR HD2 . 18442 1 750 . 1 1 63 63 TYR HE1 H 1 6.702 0.020 . 3 . . . A 63 TYR HE1 . 18442 1 751 . 1 1 63 63 TYR HE2 H 1 6.702 0.020 . 3 . . . A 63 TYR HE2 . 18442 1 752 . 1 1 63 63 TYR C C 13 173.851 0.100 . 1 . . . A 63 TYR C . 18442 1 753 . 1 1 63 63 TYR CA C 13 56.689 0.100 . 1 . . . A 63 TYR CA . 18442 1 754 . 1 1 63 63 TYR CB C 13 41.198 0.100 . 1 . . . A 63 TYR CB . 18442 1 755 . 1 1 63 63 TYR CD2 C 13 133.859 0.100 . 3 . . . A 63 TYR CD2 . 18442 1 756 . 1 1 63 63 TYR CE2 C 13 118.170 0.100 . 3 . . . A 63 TYR CE2 . 18442 1 757 . 1 1 63 63 TYR N N 15 121.046 0.100 . 1 . . . A 63 TYR N . 18442 1 758 . 1 1 64 64 ALA H H 1 8.530 0.020 . 1 . . . A 64 ALA H . 18442 1 759 . 1 1 64 64 ALA HA H 1 5.055 0.020 . 1 . . . A 64 ALA HA . 18442 1 760 . 1 1 64 64 ALA HB1 H 1 0.762 0.020 . 1 . . . A 64 ALA QB . 18442 1 761 . 1 1 64 64 ALA HB2 H 1 0.762 0.020 . 1 . . . A 64 ALA QB . 18442 1 762 . 1 1 64 64 ALA HB3 H 1 0.762 0.020 . 1 . . . A 64 ALA QB . 18442 1 763 . 1 1 64 64 ALA C C 13 176.255 0.100 . 1 . . . A 64 ALA C . 18442 1 764 . 1 1 64 64 ALA CA C 13 51.087 0.100 . 1 . . . A 64 ALA CA . 18442 1 765 . 1 1 64 64 ALA CB C 13 20.438 0.100 . 1 . . . A 64 ALA CB . 18442 1 766 . 1 1 64 64 ALA N N 15 122.631 0.100 . 1 . . . A 64 ALA N . 18442 1 767 . 1 1 65 65 VAL H H 1 9.166 0.020 . 1 . . . A 65 VAL H . 18442 1 768 . 1 1 65 65 VAL HA H 1 4.736 0.020 . 1 . . . A 65 VAL HA . 18442 1 769 . 1 1 65 65 VAL HB H 1 2.351 0.020 . 1 . . . A 65 VAL HB . 18442 1 770 . 1 1 65 65 VAL HG11 H 1 1.019 0.020 . 1 . . . A 65 VAL QG1 . 18442 1 771 . 1 1 65 65 VAL HG12 H 1 1.019 0.020 . 1 . . . A 65 VAL QG1 . 18442 1 772 . 1 1 65 65 VAL HG13 H 1 1.019 0.020 . 1 . . . A 65 VAL QG1 . 18442 1 773 . 1 1 65 65 VAL HG21 H 1 0.819 0.020 . 1 . . . A 65 VAL QG2 . 18442 1 774 . 1 1 65 65 VAL HG22 H 1 0.819 0.020 . 1 . . . A 65 VAL QG2 . 18442 1 775 . 1 1 65 65 VAL HG23 H 1 0.819 0.020 . 1 . . . A 65 VAL QG2 . 18442 1 776 . 1 1 65 65 VAL C C 13 174.892 0.100 . 1 . . . A 65 VAL C . 18442 1 777 . 1 1 65 65 VAL CA C 13 59.063 0.100 . 1 . . . A 65 VAL CA . 18442 1 778 . 1 1 65 65 VAL CB C 13 36.195 0.100 . 1 . . . A 65 VAL CB . 18442 1 779 . 1 1 65 65 VAL CG1 C 13 22.432 0.100 . 2 . . . A 65 VAL CG1 . 18442 1 780 . 1 1 65 65 VAL CG2 C 13 18.692 0.100 . 2 . . . A 65 VAL CG2 . 18442 1 781 . 1 1 65 65 VAL N N 15 114.139 0.100 . 1 . . . A 65 VAL N . 18442 1 782 . 1 1 66 66 ASN H H 1 8.869 0.020 . 1 . . . A 66 ASN H . 18442 1 783 . 1 1 66 66 ASN HA H 1 4.348 0.020 . 1 . . . A 66 ASN HA . 18442 1 784 . 1 1 66 66 ASN HB2 H 1 3.091 0.020 . 2 . . . A 66 ASN HB2 . 18442 1 785 . 1 1 66 66 ASN HB3 H 1 2.706 0.020 . 2 . . . A 66 ASN HB3 . 18442 1 786 . 1 1 66 66 ASN HD21 H 1 8.253 0.020 . 2 . . . A 66 ASN HD21 . 18442 1 787 . 1 1 66 66 ASN HD22 H 1 6.809 0.020 . 2 . . . A 66 ASN HD22 . 18442 1 788 . 1 1 66 66 ASN C C 13 175.214 0.100 . 1 . . . A 66 ASN C . 18442 1 789 . 1 1 66 66 ASN CA C 13 53.183 0.100 . 1 . . . A 66 ASN CA . 18442 1 790 . 1 1 66 66 ASN CB C 13 36.621 0.100 . 1 . . . A 66 ASN CB . 18442 1 791 . 1 1 66 66 ASN N N 15 118.454 0.100 . 1 . . . A 66 ASN N . 18442 1 792 . 1 1 66 66 ASN ND2 N 15 112.333 0.100 . 1 . . . A 66 ASN ND2 . 18442 1 793 . 1 1 67 67 LEU H H 1 8.499 0.020 . 1 . . . A 67 LEU H . 18442 1 794 . 1 1 67 67 LEU HA H 1 4.503 0.020 . 1 . . . A 67 LEU HA . 18442 1 795 . 1 1 67 67 LEU HB2 H 1 1.486 0.020 . 2 . . . A 67 LEU HB2 . 18442 1 796 . 1 1 67 67 LEU HB3 H 1 1.182 0.020 . 2 . . . A 67 LEU HB3 . 18442 1 797 . 1 1 67 67 LEU HG H 1 1.538 0.020 . 1 . . . A 67 LEU HG . 18442 1 798 . 1 1 67 67 LEU HD11 H 1 0.610 0.020 . 1 . . . A 67 LEU QD1 . 18442 1 799 . 1 1 67 67 LEU HD12 H 1 0.610 0.020 . 1 . . . A 67 LEU QD1 . 18442 1 800 . 1 1 67 67 LEU HD13 H 1 0.610 0.020 . 1 . . . A 67 LEU QD1 . 18442 1 801 . 1 1 67 67 LEU HD21 H 1 0.561 0.020 . 1 . . . A 67 LEU QD2 . 18442 1 802 . 1 1 67 67 LEU HD22 H 1 0.561 0.020 . 1 . . . A 67 LEU QD2 . 18442 1 803 . 1 1 67 67 LEU HD23 H 1 0.561 0.020 . 1 . . . A 67 LEU QD2 . 18442 1 804 . 1 1 67 67 LEU C C 13 177.561 0.100 . 1 . . . A 67 LEU C . 18442 1 805 . 1 1 67 67 LEU CA C 13 56.134 0.100 . 1 . . . A 67 LEU CA . 18442 1 806 . 1 1 67 67 LEU CB C 13 43.221 0.100 . 1 . . . A 67 LEU CB . 18442 1 807 . 1 1 67 67 LEU CG C 13 27.135 0.100 . 1 . . . A 67 LEU CG . 18442 1 808 . 1 1 67 67 LEU CD1 C 13 25.746 0.100 . 2 . . . A 67 LEU CD1 . 18442 1 809 . 1 1 67 67 LEU CD2 C 13 23.715 0.100 . 2 . . . A 67 LEU CD2 . 18442 1 810 . 1 1 67 67 LEU N N 15 118.296 0.100 . 1 . . . A 67 LEU N . 18442 1 811 . 1 1 68 68 ARG H H 1 9.383 0.020 . 1 . . . A 68 ARG H . 18442 1 812 . 1 1 68 68 ARG HA H 1 4.575 0.020 . 1 . . . A 68 ARG HA . 18442 1 813 . 1 1 68 68 ARG HB2 H 1 2.047 0.020 . 2 . . . A 68 ARG HB2 . 18442 1 814 . 1 1 68 68 ARG HB3 H 1 1.663 0.020 . 2 . . . A 68 ARG HB3 . 18442 1 815 . 1 1 68 68 ARG HG2 H 1 1.318 0.020 . 2 . . . A 68 ARG HG2 . 18442 1 816 . 1 1 68 68 ARG HG3 H 1 1.318 0.020 . 2 . . . A 68 ARG HG3 . 18442 1 817 . 1 1 68 68 ARG HD2 H 1 3.222 0.020 . 2 . . . A 68 ARG HD2 . 18442 1 818 . 1 1 68 68 ARG HD3 H 1 2.942 0.020 . 2 . . . A 68 ARG HD3 . 18442 1 819 . 1 1 68 68 ARG C C 13 174.703 0.100 . 1 . . . A 68 ARG C . 18442 1 820 . 1 1 68 68 ARG CA C 13 55.341 0.100 . 1 . . . A 68 ARG CA . 18442 1 821 . 1 1 68 68 ARG CB C 13 34.172 0.100 . 1 . . . A 68 ARG CB . 18442 1 822 . 1 1 68 68 ARG CG C 13 26.387 0.100 . 1 . . . A 68 ARG CG . 18442 1 823 . 1 1 68 68 ARG CD C 13 44.449 0.100 . 1 . . . A 68 ARG CD . 18442 1 824 . 1 1 68 68 ARG N N 15 123.530 0.100 . 1 . . . A 68 ARG N . 18442 1 825 . 1 1 69 69 ILE H H 1 8.580 0.020 . 1 . . . A 69 ILE H . 18442 1 826 . 1 1 69 69 ILE HA H 1 4.463 0.020 . 1 . . . A 69 ILE HA . 18442 1 827 . 1 1 69 69 ILE HB H 1 2.038 0.020 . 1 . . . A 69 ILE HB . 18442 1 828 . 1 1 69 69 ILE HG12 H 1 1.453 0.020 . 2 . . . A 69 ILE HG12 . 18442 1 829 . 1 1 69 69 ILE HG13 H 1 1.383 0.020 . 2 . . . A 69 ILE HG13 . 18442 1 830 . 1 1 69 69 ILE HG21 H 1 1.012 0.020 . 1 . . . A 69 ILE QG2 . 18442 1 831 . 1 1 69 69 ILE HG22 H 1 1.012 0.020 . 1 . . . A 69 ILE QG2 . 18442 1 832 . 1 1 69 69 ILE HG23 H 1 1.012 0.020 . 1 . . . A 69 ILE QG2 . 18442 1 833 . 1 1 69 69 ILE HD11 H 1 0.766 0.020 . 1 . . . A 69 ILE QD1 . 18442 1 834 . 1 1 69 69 ILE HD12 H 1 0.766 0.020 . 1 . . . A 69 ILE QD1 . 18442 1 835 . 1 1 69 69 ILE HD13 H 1 0.766 0.020 . 1 . . . A 69 ILE QD1 . 18442 1 836 . 1 1 69 69 ILE C C 13 175.801 0.100 . 1 . . . A 69 ILE C . 18442 1 837 . 1 1 69 69 ILE CA C 13 60.220 0.100 . 1 . . . A 69 ILE CA . 18442 1 838 . 1 1 69 69 ILE CB C 13 38.005 0.100 . 1 . . . A 69 ILE CB . 18442 1 839 . 1 1 69 69 ILE CG1 C 13 27.135 0.100 . 1 . . . A 69 ILE CG1 . 18442 1 840 . 1 1 69 69 ILE CG2 C 13 17.944 0.100 . 1 . . . A 69 ILE CG2 . 18442 1 841 . 1 1 69 69 ILE CD1 C 13 11.531 0.100 . 1 . . . A 69 ILE CD1 . 18442 1 842 . 1 1 69 69 ILE N N 15 120.665 0.100 . 1 . . . A 69 ILE N . 18442 1 843 . 1 1 70 70 LYS H H 1 7.868 0.020 . 1 . . . A 70 LYS H . 18442 1 844 . 1 1 70 70 LYS HA H 1 4.116 0.020 . 1 . . . A 70 LYS HA . 18442 1 845 . 1 1 70 70 LYS HB2 H 1 1.728 0.020 . 2 . . . A 70 LYS HB2 . 18442 1 846 . 1 1 70 70 LYS HB3 H 1 1.539 0.020 . 2 . . . A 70 LYS HB3 . 18442 1 847 . 1 1 70 70 LYS HG2 H 1 1.429 0.020 . 2 . . . A 70 LYS HG2 . 18442 1 848 . 1 1 70 70 LYS HG3 H 1 1.429 0.020 . 2 . . . A 70 LYS HG3 . 18442 1 849 . 1 1 70 70 LYS HD2 H 1 1.675 0.020 . 2 . . . A 70 LYS HD2 . 18442 1 850 . 1 1 70 70 LYS HD3 H 1 1.675 0.020 . 2 . . . A 70 LYS HD3 . 18442 1 851 . 1 1 70 70 LYS HE2 H 1 3.027 0.020 . 2 . . . A 70 LYS HE2 . 18442 1 852 . 1 1 70 70 LYS HE3 H 1 3.027 0.020 . 2 . . . A 70 LYS HE3 . 18442 1 853 . 1 1 70 70 LYS C C 13 180.877 0.100 . 1 . . . A 70 LYS C . 18442 1 854 . 1 1 70 70 LYS CA C 13 58.391 0.100 . 1 . . . A 70 LYS CA . 18442 1 855 . 1 1 70 70 LYS CB C 13 34.448 0.100 . 1 . . . A 70 LYS CB . 18442 1 856 . 1 1 70 70 LYS CG C 13 25.389 0.100 . 1 . . . A 70 LYS CG . 18442 1 857 . 1 1 70 70 LYS CD C 13 29.919 0.100 . 1 . . . A 70 LYS CD . 18442 1 858 . 1 1 70 70 LYS CE C 13 42.213 0.100 . 1 . . . A 70 LYS CE . 18442 1 859 . 1 1 70 70 LYS N N 15 131.862 0.100 . 1 . . . A 70 LYS N . 18442 1 stop_ save_