data_16389 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 16389 _Entry.Title ; Solution NMR structure of protein of unknown function (NP_247299.1) from Methanococcus jannaschii ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2009-06-30 _Entry.Accession_date 2009-06-30 _Entry.Last_release_date 2011-05-19 _Entry.Original_release_date 2011-05-19 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.0.9.13 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'NMR, 20 STRUCTURES' _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 Kristaps Jaudzems N. . . 16389 2 Biswaranjan Mohanty . . . 16389 3 Michael Geralt . . . 16389 4 Pedro Serrano . . . 16389 5 Ian Wilson . . . 16389 6 Kurt Wuthrich . . . 16389 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 16389 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID PROTEIN . 16389 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 16389 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 367 16389 '15N chemical shifts' 113 16389 '1H chemical shifts' 781 16389 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-05-19 2009-06-30 original author . 16389 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2KLA 'BMRB Entry Tracking System' 16389 stop_ save_ ############### # Citations # ############### save_citations _Citation.Sf_category citations _Citation.Sf_framecode citations _Citation.Entry_ID 16389 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 20944234 _Citation.Full_citation . _Citation.Title 'NMR structure of the protein NP_247299.1: comparison with the crystal structure.' _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 66 _Citation.Journal_issue 'Pt 10' _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 1367 _Citation.Page_last 1380 _Citation.Year 2010 _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 Kristaps Jaudzems . . . 16389 1 2 Michael Geralt . . . 16389 1 3 Pedro Serrano . . . 16389 1 4 Biswaranjan Mohanty . . . 16389 1 5 Reto Horst . . . 16389 1 6 Bill Pedrini . . . 16389 1 7 'Marc Andre' Elsliger . . . 16389 1 8 Ian Wilson . A. . 16389 1 9 Kurt Wuthrich . . . 16389 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 16389 _Assembly.ID 1 _Assembly.Name NP_247299.1 _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 NP_247299.1 1 $entity A . yes native no no . . . 16389 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 16389 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name NP_247299.1 _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GHMINMKVAISMDVDKISNS FEDCKYFLIVRIDDNEVKST KVIFNDESGKKSIVKENVNA IICKNISEENYKKFSKKIEI YHAEGDDVDKNISLFIEGEL SKISNP ; _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 106 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 12109.914 _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 2KLA . "Nmr Structure Of A Putative Dinitrogenase (Mj0327) From Methanococcus Jannaschii" . . . . . 100.00 106 100.00 100.00 1.49e-65 . . . . 16389 1 2 no PDB 2QTD . "Crystal Structure Of A Putative Dinitrogenase (Mj0327) From Methanocaldococcus Jannaschii Dsm At 1.70 A Resolution" . . . . . 97.17 105 98.06 98.06 3.38e-60 . . . . 16389 1 3 no GB AAB98315 . "hypothetical protein MJ_0327 [Methanocaldococcus jannaschii DSM 2661]" . . . . . 98.11 104 100.00 100.00 2.66e-63 . . . . 16389 1 4 no SP Q57773 . "RecName: Full=Uncharacterized protein MJ0327" . . . . . 98.11 104 100.00 100.00 2.66e-63 . . . . 16389 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . GLY . 16389 1 2 . HIS . 16389 1 3 . MET . 16389 1 4 . ILE . 16389 1 5 . ASN . 16389 1 6 . MET . 16389 1 7 . LYS . 16389 1 8 . VAL . 16389 1 9 . ALA . 16389 1 10 . ILE . 16389 1 11 . SER . 16389 1 12 . MET . 16389 1 13 . ASP . 16389 1 14 . VAL . 16389 1 15 . ASP . 16389 1 16 . LYS . 16389 1 17 . ILE . 16389 1 18 . SER . 16389 1 19 . ASN . 16389 1 20 . SER . 16389 1 21 . PHE . 16389 1 22 . GLU . 16389 1 23 . ASP . 16389 1 24 . CYS . 16389 1 25 . LYS . 16389 1 26 . TYR . 16389 1 27 . PHE . 16389 1 28 . LEU . 16389 1 29 . ILE . 16389 1 30 . VAL . 16389 1 31 . ARG . 16389 1 32 . ILE . 16389 1 33 . ASP . 16389 1 34 . ASP . 16389 1 35 . ASN . 16389 1 36 . GLU . 16389 1 37 . VAL . 16389 1 38 . LYS . 16389 1 39 . SER . 16389 1 40 . THR . 16389 1 41 . LYS . 16389 1 42 . VAL . 16389 1 43 . ILE . 16389 1 44 . PHE . 16389 1 45 . ASN . 16389 1 46 . ASP . 16389 1 47 . GLU . 16389 1 48 . SER . 16389 1 49 . GLY . 16389 1 50 . LYS . 16389 1 51 . LYS . 16389 1 52 . SER . 16389 1 53 . ILE . 16389 1 54 . VAL . 16389 1 55 . LYS . 16389 1 56 . GLU . 16389 1 57 . ASN . 16389 1 58 . VAL . 16389 1 59 . ASN . 16389 1 60 . ALA . 16389 1 61 . ILE . 16389 1 62 . ILE . 16389 1 63 . CYS . 16389 1 64 . LYS . 16389 1 65 . ASN . 16389 1 66 . ILE . 16389 1 67 . SER . 16389 1 68 . GLU . 16389 1 69 . GLU . 16389 1 70 . ASN . 16389 1 71 . TYR . 16389 1 72 . LYS . 16389 1 73 . LYS . 16389 1 74 . PHE . 16389 1 75 . SER . 16389 1 76 . LYS . 16389 1 77 . LYS . 16389 1 78 . ILE . 16389 1 79 . GLU . 16389 1 80 . ILE . 16389 1 81 . TYR . 16389 1 82 . HIS . 16389 1 83 . ALA . 16389 1 84 . GLU . 16389 1 85 . GLY . 16389 1 86 . ASP . 16389 1 87 . ASP . 16389 1 88 . VAL . 16389 1 89 . ASP . 16389 1 90 . LYS . 16389 1 91 . ASN . 16389 1 92 . ILE . 16389 1 93 . SER . 16389 1 94 . LEU . 16389 1 95 . PHE . 16389 1 96 . ILE . 16389 1 97 . GLU . 16389 1 98 . GLY . 16389 1 99 . GLU . 16389 1 100 . LEU . 16389 1 101 . SER . 16389 1 102 . LYS . 16389 1 103 . ILE . 16389 1 104 . SER . 16389 1 105 . ASN . 16389 1 106 . PRO . 16389 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 16389 1 . HIS 2 2 16389 1 . MET 3 3 16389 1 . ILE 4 4 16389 1 . ASN 5 5 16389 1 . MET 6 6 16389 1 . LYS 7 7 16389 1 . VAL 8 8 16389 1 . ALA 9 9 16389 1 . ILE 10 10 16389 1 . SER 11 11 16389 1 . MET 12 12 16389 1 . ASP 13 13 16389 1 . VAL 14 14 16389 1 . ASP 15 15 16389 1 . LYS 16 16 16389 1 . ILE 17 17 16389 1 . SER 18 18 16389 1 . ASN 19 19 16389 1 . SER 20 20 16389 1 . PHE 21 21 16389 1 . GLU 22 22 16389 1 . ASP 23 23 16389 1 . CYS 24 24 16389 1 . LYS 25 25 16389 1 . TYR 26 26 16389 1 . PHE 27 27 16389 1 . LEU 28 28 16389 1 . ILE 29 29 16389 1 . VAL 30 30 16389 1 . ARG 31 31 16389 1 . ILE 32 32 16389 1 . ASP 33 33 16389 1 . ASP 34 34 16389 1 . ASN 35 35 16389 1 . GLU 36 36 16389 1 . VAL 37 37 16389 1 . LYS 38 38 16389 1 . SER 39 39 16389 1 . THR 40 40 16389 1 . LYS 41 41 16389 1 . VAL 42 42 16389 1 . ILE 43 43 16389 1 . PHE 44 44 16389 1 . ASN 45 45 16389 1 . ASP 46 46 16389 1 . GLU 47 47 16389 1 . SER 48 48 16389 1 . GLY 49 49 16389 1 . LYS 50 50 16389 1 . LYS 51 51 16389 1 . SER 52 52 16389 1 . ILE 53 53 16389 1 . VAL 54 54 16389 1 . LYS 55 55 16389 1 . GLU 56 56 16389 1 . ASN 57 57 16389 1 . VAL 58 58 16389 1 . ASN 59 59 16389 1 . ALA 60 60 16389 1 . ILE 61 61 16389 1 . ILE 62 62 16389 1 . CYS 63 63 16389 1 . LYS 64 64 16389 1 . ASN 65 65 16389 1 . ILE 66 66 16389 1 . SER 67 67 16389 1 . GLU 68 68 16389 1 . GLU 69 69 16389 1 . ASN 70 70 16389 1 . TYR 71 71 16389 1 . LYS 72 72 16389 1 . LYS 73 73 16389 1 . PHE 74 74 16389 1 . SER 75 75 16389 1 . LYS 76 76 16389 1 . LYS 77 77 16389 1 . ILE 78 78 16389 1 . GLU 79 79 16389 1 . ILE 80 80 16389 1 . TYR 81 81 16389 1 . HIS 82 82 16389 1 . ALA 83 83 16389 1 . GLU 84 84 16389 1 . GLY 85 85 16389 1 . ASP 86 86 16389 1 . ASP 87 87 16389 1 . VAL 88 88 16389 1 . ASP 89 89 16389 1 . LYS 90 90 16389 1 . ASN 91 91 16389 1 . ILE 92 92 16389 1 . SER 93 93 16389 1 . LEU 94 94 16389 1 . PHE 95 95 16389 1 . ILE 96 96 16389 1 . GLU 97 97 16389 1 . GLY 98 98 16389 1 . GLU 99 99 16389 1 . LEU 100 100 16389 1 . SER 101 101 16389 1 . LYS 102 102 16389 1 . ILE 103 103 16389 1 . SER 104 104 16389 1 . ASN 105 105 16389 1 . PRO 106 106 16389 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 16389 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 2190 organism . 'Methanococcus jannaschii' 'Methanococcus jannaschii' . . Archaea . Methanococcus jannaschii . . . . . . . . . . . . . . . . . . . . . 16389 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 16389 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21DE3 . . . . . . . . . . . . . . . pET28b . . . . . . 16389 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 16389 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '0.9 mM [U-98% 13C; U-98% 15N]' _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 0.9 . . mM . . . . 16389 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 16389 1 3 DTT 'natural abundance' . . . . . . 1 . . mM . . . . 16389 1 4 'sodium azide' 'natural abundance' . . . . . . 0.03 . . % . . . . 16389 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 16389 1 6 H2O 'natural abundance' . . . . . . 5 . . % . . . . 16389 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 16389 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 0.029 . M 16389 1 pH 6.5 . pH 16389 1 pressure 1 . atm 16389 1 temperature 313 . K 16389 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 16389 _Software.ID 1 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'P.GUNTERT ET AL.' . . 16389 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 16389 1 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 16389 _Software.ID 2 _Software.Name OPAL _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Luginbuhl, Guntert, Billeter and Wuthrich' . . 16389 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 16389 2 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 16389 _Software.ID 3 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 16389 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 16389 3 processing 16389 3 stop_ save_ save_Molmol _Software.Sf_category software _Software.Sf_framecode Molmol _Software.Entry_ID 16389 _Software.ID 4 _Software.Name Molmol _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Koradi, Billeter and Wuthrich' . . 16389 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 16389 4 stop_ save_ save_UNIO _Software.Sf_category software _Software.Sf_framecode UNIO _Software.Entry_ID 16389 _Software.ID 5 _Software.Name UNIO _Software.Version 1.0.2 _Software.Details ; includes MATCH for automated backbone assignment, ATNOS/ASCAN for automated sidechain assignment, ATNOS/CANDID for automated NMR structure calculation ; loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'T. Herrmann, F. Fiorito, J. Volk' . http://perso.ens-lyon.fr/torsten.herrmann/Herrmann/Software.html 16389 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16389 5 'peak picking' 16389 5 'structure solution' 16389 5 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 16389 _Software.ID 6 _Software.Name CARA _Software.Version 1.8.4 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Keller . . 16389 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 16389 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 16389 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 16389 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 16389 _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 . 600 . . . 16389 1 2 spectrometer_2 Bruker Avance . 800 . . . 16389 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 16389 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D [15N,1H]-HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16389 1 2 '5D APSY-HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16389 1 3 '4D APSY-HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16389 1 4 '5D APSY-CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 16389 1 5 '3D 15N-RESOLVED [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16389 1 6 '3D 13C(aliphatic)-RESOLVED [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16389 1 7 '3D 13C(aromatic)-RESOLVED [1H,1H]-NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 16389 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 16389 _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 water protons . . . . ppm 4.607 internal indirect 0.2514508431572067088596855732873791566817 . . . . . . . . . 16389 1 H 1 water protons . . . . ppm 4.607 internal direct 1.00000000000 . . . . . . . . . 16389 1 N 15 water protons . . . . ppm 4.607 internal indirect 0.1013291102666951859414146835947079239304 . . . . . . . . . 16389 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 16389 _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 2 '5D APSY-HACACONH' . . . 16389 1 3 '4D APSY-HACANH' . . . 16389 1 4 '5D APSY-CBCACONH' . . . 16389 1 5 '3D 15N-RESOLVED [1H,1H]-NOESY' . . . 16389 1 6 '3D 13C(aliphatic)-RESOLVED [1H,1H]-NOESY' . . . 16389 1 7 '3D 13C(aromatic)-RESOLVED [1H,1H]-NOESY' . . . 16389 1 stop_ loop_ _Chem_shift_software.Software_ID _Chem_shift_software.Software_label _Chem_shift_software.Method_ID _Chem_shift_software.Method_label _Chem_shift_software.Entry_ID _Chem_shift_software.Assigned_chem_shift_list_ID 5 $UNIO . . 16389 1 6 $CARA . . 16389 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.733 0.020 . 1 . . . . 1 GLY HA2 . 16389 1 2 . 1 1 1 1 GLY HA3 H 1 3.733 0.020 . 1 . . . . 1 GLY HA3 . 16389 1 3 . 1 1 1 1 GLY CA C 13 43.723 0.400 . 1 . . . . 1 GLY CA . 16389 1 4 . 1 1 2 2 HIS HA H 1 4.670 0.020 . 1 . . . . 2 HIS HA . 16389 1 5 . 1 1 2 2 HIS HB2 H 1 2.966 0.020 . 2 . . . . 2 HIS HB2 . 16389 1 6 . 1 1 2 2 HIS HB3 H 1 3.047 0.020 . 2 . . . . 2 HIS HB3 . 16389 1 7 . 1 1 2 2 HIS HD2 H 1 6.970 0.020 . 1 . . . . 2 HIS HD2 . 16389 1 8 . 1 1 2 2 HIS HE1 H 1 8.038 0.020 . 1 . . . . 2 HIS HE1 . 16389 1 9 . 1 1 2 2 HIS CA C 13 55.847 0.400 . 1 . . . . 2 HIS CA . 16389 1 10 . 1 1 2 2 HIS CB C 13 30.960 0.400 . 1 . . . . 2 HIS CB . 16389 1 11 . 1 1 2 2 HIS CD2 C 13 119.410 0.400 . 1 . . . . 2 HIS CD2 . 16389 1 12 . 1 1 2 2 HIS CE1 C 13 137.776 0.400 . 1 . . . . 2 HIS CE1 . 16389 1 13 . 1 1 3 3 MET H H 1 8.608 0.020 . 1 . . . . 3 MET H . 16389 1 14 . 1 1 3 3 MET HA H 1 4.426 0.020 . 1 . . . . 3 MET HA . 16389 1 15 . 1 1 3 3 MET HB2 H 1 1.933 0.020 . 2 . . . . 3 MET HB2 . 16389 1 16 . 1 1 3 3 MET HB3 H 1 1.737 0.020 . 2 . . . . 3 MET HB3 . 16389 1 17 . 1 1 3 3 MET HE1 H 1 2.135 0.020 . 1 . . . . 3 MET HE1 . 16389 1 18 . 1 1 3 3 MET HE2 H 1 2.135 0.020 . 1 . . . . 3 MET HE2 . 16389 1 19 . 1 1 3 3 MET HE3 H 1 2.135 0.020 . 1 . . . . 3 MET HE3 . 16389 1 20 . 1 1 3 3 MET HG2 H 1 2.406 0.020 . 2 . . . . 3 MET HG2 . 16389 1 21 . 1 1 3 3 MET HG3 H 1 2.243 0.020 . 2 . . . . 3 MET HG3 . 16389 1 22 . 1 1 3 3 MET CA C 13 56.001 0.400 . 1 . . . . 3 MET CA . 16389 1 23 . 1 1 3 3 MET CB C 13 33.980 0.400 . 1 . . . . 3 MET CB . 16389 1 24 . 1 1 3 3 MET CE C 13 17.554 0.400 . 1 . . . . 3 MET CE . 16389 1 25 . 1 1 3 3 MET CG C 13 32.825 0.400 . 1 . . . . 3 MET CG . 16389 1 26 . 1 1 3 3 MET N N 15 124.058 0.400 . 1 . . . . 3 MET N . 16389 1 27 . 1 1 4 4 ILE H H 1 8.342 0.020 . 1 . . . . 4 ILE H . 16389 1 28 . 1 1 4 4 ILE HA H 1 4.368 0.020 . 1 . . . . 4 ILE HA . 16389 1 29 . 1 1 4 4 ILE HB H 1 1.823 0.020 . 1 . . . . 4 ILE HB . 16389 1 30 . 1 1 4 4 ILE HD11 H 1 0.746 0.020 . 1 . . . . 4 ILE HD11 . 16389 1 31 . 1 1 4 4 ILE HD12 H 1 0.746 0.020 . 1 . . . . 4 ILE HD12 . 16389 1 32 . 1 1 4 4 ILE HD13 H 1 0.746 0.020 . 1 . . . . 4 ILE HD13 . 16389 1 33 . 1 1 4 4 ILE HG12 H 1 1.358 0.020 . 2 . . . . 4 ILE HG12 . 16389 1 34 . 1 1 4 4 ILE HG13 H 1 1.155 0.020 . 2 . . . . 4 ILE HG13 . 16389 1 35 . 1 1 4 4 ILE HG21 H 1 0.842 0.020 . 1 . . . . 4 ILE HG21 . 16389 1 36 . 1 1 4 4 ILE HG22 H 1 0.842 0.020 . 1 . . . . 4 ILE HG22 . 16389 1 37 . 1 1 4 4 ILE HG23 H 1 0.842 0.020 . 1 . . . . 4 ILE HG23 . 16389 1 38 . 1 1 4 4 ILE CA C 13 60.388 0.400 . 1 . . . . 4 ILE CA . 16389 1 39 . 1 1 4 4 ILE CB C 13 40.287 0.400 . 1 . . . . 4 ILE CB . 16389 1 40 . 1 1 4 4 ILE CD1 C 13 13.140 0.400 . 1 . . . . 4 ILE CD1 . 16389 1 41 . 1 1 4 4 ILE CG1 C 13 27.113 0.400 . 1 . . . . 4 ILE CG1 . 16389 1 42 . 1 1 4 4 ILE CG2 C 13 18.222 0.400 . 1 . . . . 4 ILE CG2 . 16389 1 43 . 1 1 4 4 ILE N N 15 123.340 0.400 . 1 . . . . 4 ILE N . 16389 1 44 . 1 1 5 5 ASN H H 1 8.803 0.020 . 1 . . . . 5 ASN H . 16389 1 45 . 1 1 5 5 ASN HA H 1 4.768 0.020 . 1 . . . . 5 ASN HA . 16389 1 46 . 1 1 5 5 ASN HB2 H 1 2.606 0.020 . 2 . . . . 5 ASN HB2 . 16389 1 47 . 1 1 5 5 ASN HB3 H 1 2.941 0.020 . 2 . . . . 5 ASN HB3 . 16389 1 48 . 1 1 5 5 ASN HD21 H 1 7.553 0.020 . 2 . . . . 5 ASN HD21 . 16389 1 49 . 1 1 5 5 ASN HD22 H 1 6.840 0.020 . 2 . . . . 5 ASN HD22 . 16389 1 50 . 1 1 5 5 ASN CA C 13 53.982 0.400 . 1 . . . . 5 ASN CA . 16389 1 51 . 1 1 5 5 ASN CB C 13 39.269 0.400 . 1 . . . . 5 ASN CB . 16389 1 52 . 1 1 5 5 ASN N N 15 123.739 0.400 . 1 . . . . 5 ASN N . 16389 1 53 . 1 1 5 5 ASN ND2 N 15 112.474 0.400 . 1 . . . . 5 ASN ND2 . 16389 1 54 . 1 1 6 6 MET H H 1 8.423 0.020 . 1 . . . . 6 MET H . 16389 1 55 . 1 1 6 6 MET HA H 1 4.854 0.020 . 1 . . . . 6 MET HA . 16389 1 56 . 1 1 6 6 MET HB2 H 1 1.829 0.020 . 2 . . . . 6 MET HB2 . 16389 1 57 . 1 1 6 6 MET HB3 H 1 1.957 0.020 . 2 . . . . 6 MET HB3 . 16389 1 58 . 1 1 6 6 MET HE1 H 1 1.684 0.020 . 1 . . . . 6 MET HE1 . 16389 1 59 . 1 1 6 6 MET HE2 H 1 1.684 0.020 . 1 . . . . 6 MET HE2 . 16389 1 60 . 1 1 6 6 MET HE3 H 1 1.684 0.020 . 1 . . . . 6 MET HE3 . 16389 1 61 . 1 1 6 6 MET HG2 H 1 2.406 0.020 . 2 . . . . 6 MET HG2 . 16389 1 62 . 1 1 6 6 MET HG3 H 1 2.713 0.020 . 2 . . . . 6 MET HG3 . 16389 1 63 . 1 1 6 6 MET CA C 13 54.541 0.400 . 1 . . . . 6 MET CA . 16389 1 64 . 1 1 6 6 MET CB C 13 36.519 0.400 . 1 . . . . 6 MET CB . 16389 1 65 . 1 1 6 6 MET CE C 13 18.025 0.400 . 1 . . . . 6 MET CE . 16389 1 66 . 1 1 6 6 MET CG C 13 32.666 0.400 . 1 . . . . 6 MET CG . 16389 1 67 . 1 1 6 6 MET N N 15 118.661 0.400 . 1 . . . . 6 MET N . 16389 1 68 . 1 1 7 7 LYS H H 1 9.032 0.020 . 1 . . . . 7 LYS H . 16389 1 69 . 1 1 7 7 LYS HA H 1 5.397 0.020 . 1 . . . . 7 LYS HA . 16389 1 70 . 1 1 7 7 LYS HB2 H 1 1.754 0.020 . 2 . . . . 7 LYS HB2 . 16389 1 71 . 1 1 7 7 LYS HB3 H 1 1.534 0.020 . 2 . . . . 7 LYS HB3 . 16389 1 72 . 1 1 7 7 LYS HD2 H 1 1.589 0.020 . 1 . . . . 7 LYS HD2 . 16389 1 73 . 1 1 7 7 LYS HD3 H 1 1.589 0.020 . 1 . . . . 7 LYS HD3 . 16389 1 74 . 1 1 7 7 LYS HE2 H 1 2.919 0.020 . 2 . . . . 7 LYS HE2 . 16389 1 75 . 1 1 7 7 LYS HE3 H 1 2.781 0.020 . 2 . . . . 7 LYS HE3 . 16389 1 76 . 1 1 7 7 LYS HG2 H 1 1.390 0.020 . 2 . . . . 7 LYS HG2 . 16389 1 77 . 1 1 7 7 LYS HG3 H 1 1.177 0.020 . 2 . . . . 7 LYS HG3 . 16389 1 78 . 1 1 7 7 LYS CA C 13 55.470 0.400 . 1 . . . . 7 LYS CA . 16389 1 79 . 1 1 7 7 LYS CB C 13 36.000 0.400 . 1 . . . . 7 LYS CB . 16389 1 80 . 1 1 7 7 LYS CD C 13 29.448 0.400 . 1 . . . . 7 LYS CD . 16389 1 81 . 1 1 7 7 LYS CE C 13 42.288 0.400 . 1 . . . . 7 LYS CE . 16389 1 82 . 1 1 7 7 LYS CG C 13 26.121 0.400 . 1 . . . . 7 LYS CG . 16389 1 83 . 1 1 7 7 LYS N N 15 124.170 0.400 . 1 . . . . 7 LYS N . 16389 1 84 . 1 1 8 8 VAL H H 1 9.079 0.020 . 1 . . . . 8 VAL H . 16389 1 85 . 1 1 8 8 VAL HA H 1 4.965 0.020 . 1 . . . . 8 VAL HA . 16389 1 86 . 1 1 8 8 VAL HB H 1 1.474 0.020 . 1 . . . . 8 VAL HB . 16389 1 87 . 1 1 8 8 VAL HG11 H 1 0.238 0.020 . 2 . . . . 8 VAL HG11 . 16389 1 88 . 1 1 8 8 VAL HG12 H 1 0.238 0.020 . 2 . . . . 8 VAL HG12 . 16389 1 89 . 1 1 8 8 VAL HG13 H 1 0.238 0.020 . 2 . . . . 8 VAL HG13 . 16389 1 90 . 1 1 8 8 VAL HG21 H 1 0.314 0.020 . 2 . . . . 8 VAL HG21 . 16389 1 91 . 1 1 8 8 VAL HG22 H 1 0.314 0.020 . 2 . . . . 8 VAL HG22 . 16389 1 92 . 1 1 8 8 VAL HG23 H 1 0.314 0.020 . 2 . . . . 8 VAL HG23 . 16389 1 93 . 1 1 8 8 VAL CA C 13 59.045 0.400 . 1 . . . . 8 VAL CA . 16389 1 94 . 1 1 8 8 VAL CB C 13 35.412 0.400 . 1 . . . . 8 VAL CB . 16389 1 95 . 1 1 8 8 VAL CG1 C 13 21.991 0.400 . 1 . . . . 8 VAL CG1 . 16389 1 96 . 1 1 8 8 VAL CG2 C 13 20.474 0.400 . 1 . . . . 8 VAL CG2 . 16389 1 97 . 1 1 8 8 VAL N N 15 124.710 0.400 . 1 . . . . 8 VAL N . 16389 1 98 . 1 1 9 9 ALA H H 1 8.706 0.020 . 1 . . . . 9 ALA H . 16389 1 99 . 1 1 9 9 ALA HA H 1 5.573 0.020 . 1 . . . . 9 ALA HA . 16389 1 100 . 1 1 9 9 ALA HB1 H 1 1.101 0.020 . 1 . . . . 9 ALA HB1 . 16389 1 101 . 1 1 9 9 ALA HB2 H 1 1.101 0.020 . 1 . . . . 9 ALA HB2 . 16389 1 102 . 1 1 9 9 ALA HB3 H 1 1.101 0.020 . 1 . . . . 9 ALA HB3 . 16389 1 103 . 1 1 9 9 ALA CA C 13 49.834 0.400 . 1 . . . . 9 ALA CA . 16389 1 104 . 1 1 9 9 ALA CB C 13 22.290 0.400 . 1 . . . . 9 ALA CB . 16389 1 105 . 1 1 9 9 ALA N N 15 126.816 0.400 . 1 . . . . 9 ALA N . 16389 1 106 . 1 1 10 10 ILE H H 1 9.275 0.020 . 1 . . . . 10 ILE H . 16389 1 107 . 1 1 10 10 ILE HA H 1 4.959 0.020 . 1 . . . . 10 ILE HA . 16389 1 108 . 1 1 10 10 ILE HB H 1 1.675 0.020 . 1 . . . . 10 ILE HB . 16389 1 109 . 1 1 10 10 ILE HD11 H 1 0.214 0.020 . 1 . . . . 10 ILE HD11 . 16389 1 110 . 1 1 10 10 ILE HD12 H 1 0.214 0.020 . 1 . . . . 10 ILE HD12 . 16389 1 111 . 1 1 10 10 ILE HD13 H 1 0.214 0.020 . 1 . . . . 10 ILE HD13 . 16389 1 112 . 1 1 10 10 ILE HG12 H 1 1.477 0.020 . 2 . . . . 10 ILE HG12 . 16389 1 113 . 1 1 10 10 ILE HG13 H 1 0.755 0.020 . 2 . . . . 10 ILE HG13 . 16389 1 114 . 1 1 10 10 ILE HG21 H 1 0.730 0.020 . 1 . . . . 10 ILE HG21 . 16389 1 115 . 1 1 10 10 ILE HG22 H 1 0.730 0.020 . 1 . . . . 10 ILE HG22 . 16389 1 116 . 1 1 10 10 ILE HG23 H 1 0.730 0.020 . 1 . . . . 10 ILE HG23 . 16389 1 117 . 1 1 10 10 ILE CA C 13 60.671 0.400 . 1 . . . . 10 ILE CA . 16389 1 118 . 1 1 10 10 ILE CB C 13 41.190 0.400 . 1 . . . . 10 ILE CB . 16389 1 119 . 1 1 10 10 ILE CD1 C 13 13.482 0.400 . 1 . . . . 10 ILE CD1 . 16389 1 120 . 1 1 10 10 ILE CG1 C 13 28.862 0.400 . 1 . . . . 10 ILE CG1 . 16389 1 121 . 1 1 10 10 ILE CG2 C 13 19.506 0.400 . 1 . . . . 10 ILE CG2 . 16389 1 122 . 1 1 10 10 ILE N N 15 121.130 0.400 . 1 . . . . 10 ILE N . 16389 1 123 . 1 1 11 11 SER H H 1 7.946 0.020 . 1 . . . . 11 SER H . 16389 1 124 . 1 1 11 11 SER HA H 1 4.102 0.020 . 1 . . . . 11 SER HA . 16389 1 125 . 1 1 11 11 SER HB2 H 1 3.579 0.020 . 2 . . . . 11 SER HB2 . 16389 1 126 . 1 1 11 11 SER HB3 H 1 4.084 0.020 . 2 . . . . 11 SER HB3 . 16389 1 127 . 1 1 11 11 SER CA C 13 55.160 0.400 . 1 . . . . 11 SER CA . 16389 1 128 . 1 1 11 11 SER CB C 13 66.325 0.400 . 1 . . . . 11 SER CB . 16389 1 129 . 1 1 11 11 SER N N 15 120.340 0.400 . 1 . . . . 11 SER N . 16389 1 130 . 1 1 12 12 MET H H 1 8.839 0.020 . 1 . . . . 12 MET H . 16389 1 131 . 1 1 12 12 MET HA H 1 4.907 0.020 . 1 . . . . 12 MET HA . 16389 1 132 . 1 1 12 12 MET HB2 H 1 0.294 0.020 . 2 . . . . 12 MET HB2 . 16389 1 133 . 1 1 12 12 MET HB3 H 1 1.332 0.020 . 2 . . . . 12 MET HB3 . 16389 1 134 . 1 1 12 12 MET HE1 H 1 1.637 0.020 . 1 . . . . 12 MET HE1 . 16389 1 135 . 1 1 12 12 MET HE2 H 1 1.637 0.020 . 1 . . . . 12 MET HE2 . 16389 1 136 . 1 1 12 12 MET HE3 H 1 1.637 0.020 . 1 . . . . 12 MET HE3 . 16389 1 137 . 1 1 12 12 MET HG2 H 1 1.995 0.020 . 2 . . . . 12 MET HG2 . 16389 1 138 . 1 1 12 12 MET HG3 H 1 2.125 0.020 . 2 . . . . 12 MET HG3 . 16389 1 139 . 1 1 12 12 MET CA C 13 54.210 0.400 . 1 . . . . 12 MET CA . 16389 1 140 . 1 1 12 12 MET CB C 13 32.895 0.400 . 1 . . . . 12 MET CB . 16389 1 141 . 1 1 12 12 MET CE C 13 16.027 0.400 . 1 . . . . 12 MET CE . 16389 1 142 . 1 1 12 12 MET CG C 13 32.342 0.400 . 1 . . . . 12 MET CG . 16389 1 143 . 1 1 12 12 MET N N 15 128.010 0.400 . 1 . . . . 12 MET N . 16389 1 144 . 1 1 13 13 ASP H H 1 8.496 0.020 . 1 . . . . 13 ASP H . 16389 1 145 . 1 1 13 13 ASP HA H 1 4.805 0.020 . 1 . . . . 13 ASP HA . 16389 1 146 . 1 1 13 13 ASP HB2 H 1 2.306 0.020 . 2 . . . . 13 ASP HB2 . 16389 1 147 . 1 1 13 13 ASP HB3 H 1 2.735 0.020 . 2 . . . . 13 ASP HB3 . 16389 1 148 . 1 1 13 13 ASP CA C 13 54.274 0.400 . 1 . . . . 13 ASP CA . 16389 1 149 . 1 1 13 13 ASP CB C 13 41.702 0.400 . 1 . . . . 13 ASP CB . 16389 1 150 . 1 1 13 13 ASP N N 15 123.104 0.400 . 1 . . . . 13 ASP N . 16389 1 151 . 1 1 14 14 VAL H H 1 8.381 0.020 . 1 . . . . 14 VAL H . 16389 1 152 . 1 1 14 14 VAL HA H 1 3.967 0.020 . 1 . . . . 14 VAL HA . 16389 1 153 . 1 1 14 14 VAL HB H 1 2.087 0.020 . 1 . . . . 14 VAL HB . 16389 1 154 . 1 1 14 14 VAL HG11 H 1 0.957 0.020 . 1 . . . . 14 VAL HG1 . 16389 1 155 . 1 1 14 14 VAL HG12 H 1 0.957 0.020 . 1 . . . . 14 VAL HG1 . 16389 1 156 . 1 1 14 14 VAL HG13 H 1 0.957 0.020 . 1 . . . . 14 VAL HG1 . 16389 1 157 . 1 1 14 14 VAL HG21 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16389 1 158 . 1 1 14 14 VAL HG22 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16389 1 159 . 1 1 14 14 VAL HG23 H 1 0.957 0.020 . 1 . . . . 14 VAL HG2 . 16389 1 160 . 1 1 14 14 VAL CA C 13 65.675 0.400 . 1 . . . . 14 VAL CA . 16389 1 161 . 1 1 14 14 VAL CB C 13 31.738 0.400 . 1 . . . . 14 VAL CB . 16389 1 162 . 1 1 14 14 VAL CG2 C 13 21.597 0.400 . 1 . . . . 14 VAL CG2 . 16389 1 163 . 1 1 14 14 VAL N N 15 117.923 0.400 . 1 . . . . 14 VAL N . 16389 1 164 . 1 1 15 15 ASP H H 1 8.571 0.020 . 1 . . . . 15 ASP H . 16389 1 165 . 1 1 15 15 ASP HA H 1 4.584 0.020 . 1 . . . . 15 ASP HA . 16389 1 166 . 1 1 15 15 ASP HB2 H 1 2.830 0.020 . 2 . . . . 15 ASP HB2 . 16389 1 167 . 1 1 15 15 ASP HB3 H 1 2.616 0.020 . 2 . . . . 15 ASP HB3 . 16389 1 168 . 1 1 15 15 ASP CA C 13 53.660 0.400 . 1 . . . . 15 ASP CA . 16389 1 169 . 1 1 15 15 ASP CB C 13 41.220 0.400 . 1 . . . . 15 ASP CB . 16389 1 170 . 1 1 15 15 ASP N N 15 117.294 0.400 . 1 . . . . 15 ASP N . 16389 1 171 . 1 1 16 16 LYS H H 1 7.528 0.020 . 1 . . . . 16 LYS H . 16389 1 172 . 1 1 16 16 LYS HA H 1 4.718 0.020 . 1 . . . . 16 LYS HA . 16389 1 173 . 1 1 16 16 LYS HB2 H 1 1.722 0.020 . 2 . . . . 16 LYS HB2 . 16389 1 174 . 1 1 16 16 LYS HB3 H 1 1.911 0.020 . 2 . . . . 16 LYS HB3 . 16389 1 175 . 1 1 16 16 LYS HD2 H 1 1.537 0.020 . 2 . . . . 16 LYS HD2 . 16389 1 176 . 1 1 16 16 LYS HD3 H 1 1.409 0.020 . 2 . . . . 16 LYS HD3 . 16389 1 177 . 1 1 16 16 LYS HE2 H 1 2.776 0.020 . 2 . . . . 16 LYS HE2 . 16389 1 178 . 1 1 16 16 LYS HE3 H 1 2.915 0.020 . 2 . . . . 16 LYS HE3 . 16389 1 179 . 1 1 16 16 LYS HG2 H 1 1.245 0.020 . 2 . . . . 16 LYS HG2 . 16389 1 180 . 1 1 16 16 LYS HG3 H 1 1.327 0.020 . 2 . . . . 16 LYS HG3 . 16389 1 181 . 1 1 16 16 LYS CA C 13 54.490 0.400 . 1 . . . . 16 LYS CA . 16389 1 182 . 1 1 16 16 LYS CB C 13 36.090 0.400 . 1 . . . . 16 LYS CB . 16389 1 183 . 1 1 16 16 LYS CD C 13 29.867 0.400 . 1 . . . . 16 LYS CD . 16389 1 184 . 1 1 16 16 LYS CE C 13 42.893 0.400 . 1 . . . . 16 LYS CE . 16389 1 185 . 1 1 16 16 LYS CG C 13 23.897 0.400 . 1 . . . . 16 LYS CG . 16389 1 186 . 1 1 16 16 LYS N N 15 117.860 0.400 . 1 . . . . 16 LYS N . 16389 1 187 . 1 1 17 17 ILE H H 1 8.268 0.020 . 1 . . . . 17 ILE H . 16389 1 188 . 1 1 17 17 ILE HA H 1 4.272 0.020 . 1 . . . . 17 ILE HA . 16389 1 189 . 1 1 17 17 ILE HB H 1 1.410 0.020 . 1 . . . . 17 ILE HB . 16389 1 190 . 1 1 17 17 ILE HD11 H 1 0.513 0.020 . 1 . . . . 17 ILE HD11 . 16389 1 191 . 1 1 17 17 ILE HD12 H 1 0.513 0.020 . 1 . . . . 17 ILE HD12 . 16389 1 192 . 1 1 17 17 ILE HD13 H 1 0.513 0.020 . 1 . . . . 17 ILE HD13 . 16389 1 193 . 1 1 17 17 ILE HG12 H 1 1.467 0.020 . 2 . . . . 17 ILE HG12 . 16389 1 194 . 1 1 17 17 ILE HG13 H 1 0.845 0.020 . 2 . . . . 17 ILE HG13 . 16389 1 195 . 1 1 17 17 ILE HG21 H 1 0.962 0.020 . 1 . . . . 17 ILE HG21 . 16389 1 196 . 1 1 17 17 ILE HG22 H 1 0.962 0.020 . 1 . . . . 17 ILE HG22 . 16389 1 197 . 1 1 17 17 ILE HG23 H 1 0.962 0.020 . 1 . . . . 17 ILE HG23 . 16389 1 198 . 1 1 17 17 ILE CA C 13 63.050 0.400 . 1 . . . . 17 ILE CA . 16389 1 199 . 1 1 17 17 ILE CB C 13 38.693 0.400 . 1 . . . . 17 ILE CB . 16389 1 200 . 1 1 17 17 ILE CD1 C 13 14.082 0.400 . 1 . . . . 17 ILE CD1 . 16389 1 201 . 1 1 17 17 ILE CG1 C 13 29.247 0.400 . 1 . . . . 17 ILE CG1 . 16389 1 202 . 1 1 17 17 ILE CG2 C 13 16.201 0.400 . 1 . . . . 17 ILE CG2 . 16389 1 203 . 1 1 17 17 ILE N N 15 121.570 0.400 . 1 . . . . 17 ILE N . 16389 1 204 . 1 1 18 18 SER H H 1 7.888 0.020 . 1 . . . . 18 SER H . 16389 1 205 . 1 1 18 18 SER HA H 1 4.098 0.020 . 1 . . . . 18 SER HA . 16389 1 206 . 1 1 18 18 SER HB2 H 1 3.215 0.020 . 2 . . . . 18 SER HB2 . 16389 1 207 . 1 1 18 18 SER HB3 H 1 4.085 0.020 . 2 . . . . 18 SER HB3 . 16389 1 208 . 1 1 18 18 SER CA C 13 58.685 0.400 . 1 . . . . 18 SER CA . 16389 1 209 . 1 1 18 18 SER CB C 13 65.146 0.400 . 1 . . . . 18 SER CB . 16389 1 210 . 1 1 18 18 SER N N 15 121.055 0.400 . 1 . . . . 18 SER N . 16389 1 211 . 1 1 19 19 ASN H H 1 9.097 0.020 . 1 . . . . 19 ASN H . 16389 1 212 . 1 1 19 19 ASN HA H 1 4.329 0.020 . 1 . . . . 19 ASN HA . 16389 1 213 . 1 1 19 19 ASN HB2 H 1 2.905 0.020 . 1 . . . . 19 ASN HB2 . 16389 1 214 . 1 1 19 19 ASN HB3 H 1 2.905 0.020 . 1 . . . . 19 ASN HB3 . 16389 1 215 . 1 1 19 19 ASN HD21 H 1 6.911 0.020 . 2 . . . . 19 ASN HD21 . 16389 1 216 . 1 1 19 19 ASN HD22 H 1 7.757 0.020 . 2 . . . . 19 ASN HD22 . 16389 1 217 . 1 1 19 19 ASN CA C 13 57.007 0.400 . 1 . . . . 19 ASN CA . 16389 1 218 . 1 1 19 19 ASN CB C 13 38.840 0.400 . 1 . . . . 19 ASN CB . 16389 1 219 . 1 1 19 19 ASN N N 15 121.758 0.400 . 1 . . . . 19 ASN N . 16389 1 220 . 1 1 19 19 ASN ND2 N 15 114.257 0.400 . 1 . . . . 19 ASN ND2 . 16389 1 221 . 1 1 20 20 SER H H 1 8.221 0.020 . 1 . . . . 20 SER H . 16389 1 222 . 1 1 20 20 SER HA H 1 4.892 0.020 . 1 . . . . 20 SER HA . 16389 1 223 . 1 1 20 20 SER HB2 H 1 4.157 0.020 . 2 . . . . 20 SER HB2 . 16389 1 224 . 1 1 20 20 SER HB3 H 1 3.869 0.020 . 2 . . . . 20 SER HB3 . 16389 1 225 . 1 1 20 20 SER CA C 13 57.688 0.400 . 1 . . . . 20 SER CA . 16389 1 226 . 1 1 20 20 SER CB C 13 67.802 0.400 . 1 . . . . 20 SER CB . 16389 1 227 . 1 1 20 20 SER N N 15 109.438 0.400 . 1 . . . . 20 SER N . 16389 1 228 . 1 1 21 21 PHE H H 1 8.935 0.020 . 1 . . . . 21 PHE H . 16389 1 229 . 1 1 21 21 PHE HA H 1 3.914 0.020 . 1 . . . . 21 PHE HA . 16389 1 230 . 1 1 21 21 PHE HB2 H 1 3.213 0.020 . 2 . . . . 21 PHE HB2 . 16389 1 231 . 1 1 21 21 PHE HB3 H 1 3.314 0.020 . 2 . . . . 21 PHE HB3 . 16389 1 232 . 1 1 21 21 PHE HD1 H 1 6.991 0.020 . 1 . . . . 21 PHE HD1 . 16389 1 233 . 1 1 21 21 PHE HD2 H 1 6.991 0.020 . 1 . . . . 21 PHE HD2 . 16389 1 234 . 1 1 21 21 PHE HE1 H 1 6.815 0.020 . 1 . . . . 21 PHE HE1 . 16389 1 235 . 1 1 21 21 PHE HE2 H 1 6.815 0.020 . 1 . . . . 21 PHE HE2 . 16389 1 236 . 1 1 21 21 PHE HZ H 1 6.243 0.020 . 1 . . . . 21 PHE HZ . 16389 1 237 . 1 1 21 21 PHE CA C 13 61.973 0.400 . 1 . . . . 21 PHE CA . 16389 1 238 . 1 1 21 21 PHE CB C 13 40.520 0.400 . 1 . . . . 21 PHE CB . 16389 1 239 . 1 1 21 21 PHE CD1 C 13 131.334 0.400 . 1 . . . . 21 PHE CD1 . 16389 1 240 . 1 1 21 21 PHE CE1 C 13 131.378 0.400 . 1 . . . . 21 PHE CE1 . 16389 1 241 . 1 1 21 21 PHE CZ C 13 129.662 0.400 . 1 . . . . 21 PHE CZ . 16389 1 242 . 1 1 21 21 PHE N N 15 122.127 0.400 . 1 . . . . 21 PHE N . 16389 1 243 . 1 1 22 22 GLU H H 1 8.777 0.020 . 1 . . . . 22 GLU H . 16389 1 244 . 1 1 22 22 GLU HA H 1 3.962 0.020 . 1 . . . . 22 GLU HA . 16389 1 245 . 1 1 22 22 GLU HB2 H 1 2.195 0.020 . 2 . . . . 22 GLU HB2 . 16389 1 246 . 1 1 22 22 GLU HB3 H 1 1.893 0.020 . 2 . . . . 22 GLU HB3 . 16389 1 247 . 1 1 22 22 GLU HG2 H 1 2.189 0.020 . 2 . . . . 22 GLU HG2 . 16389 1 248 . 1 1 22 22 GLU HG3 H 1 2.716 0.020 . 2 . . . . 22 GLU HG3 . 16389 1 249 . 1 1 22 22 GLU CA C 13 61.417 0.400 . 1 . . . . 22 GLU CA . 16389 1 250 . 1 1 22 22 GLU CB C 13 29.510 0.400 . 1 . . . . 22 GLU CB . 16389 1 251 . 1 1 22 22 GLU CG C 13 39.821 0.400 . 1 . . . . 22 GLU CG . 16389 1 252 . 1 1 22 22 GLU N N 15 115.810 0.400 . 1 . . . . 22 GLU N . 16389 1 253 . 1 1 23 23 ASP H H 1 7.802 0.020 . 1 . . . . 23 ASP H . 16389 1 254 . 1 1 23 23 ASP HA H 1 4.650 0.020 . 1 . . . . 23 ASP HA . 16389 1 255 . 1 1 23 23 ASP HB2 H 1 2.619 0.020 . 2 . . . . 23 ASP HB2 . 16389 1 256 . 1 1 23 23 ASP HB3 H 1 2.587 0.020 . 2 . . . . 23 ASP HB3 . 16389 1 257 . 1 1 23 23 ASP CA C 13 53.375 0.400 . 1 . . . . 23 ASP CA . 16389 1 258 . 1 1 23 23 ASP CB C 13 41.334 0.400 . 1 . . . . 23 ASP CB . 16389 1 259 . 1 1 23 23 ASP N N 15 116.792 0.400 . 1 . . . . 23 ASP N . 16389 1 260 . 1 1 24 24 CYS H H 1 6.425 0.020 . 1 . . . . 24 CYS H . 16389 1 261 . 1 1 24 24 CYS HA H 1 4.332 0.020 . 1 . . . . 24 CYS HA . 16389 1 262 . 1 1 24 24 CYS HB2 H 1 3.060 0.020 . 2 . . . . 24 CYS HB2 . 16389 1 263 . 1 1 24 24 CYS HB3 H 1 2.920 0.020 . 2 . . . . 24 CYS HB3 . 16389 1 264 . 1 1 24 24 CYS CA C 13 57.408 0.400 . 1 . . . . 24 CYS CA . 16389 1 265 . 1 1 24 24 CYS CB C 13 27.450 0.400 . 1 . . . . 24 CYS CB . 16389 1 266 . 1 1 24 24 CYS N N 15 115.802 0.400 . 1 . . . . 24 CYS N . 16389 1 267 . 1 1 25 25 LYS H H 1 8.393 0.020 . 1 . . . . 25 LYS H . 16389 1 268 . 1 1 25 25 LYS HA H 1 4.434 0.020 . 1 . . . . 25 LYS HA . 16389 1 269 . 1 1 25 25 LYS HB2 H 1 2.178 0.020 . 2 . . . . 25 LYS HB2 . 16389 1 270 . 1 1 25 25 LYS HB3 H 1 1.997 0.020 . 2 . . . . 25 LYS HB3 . 16389 1 271 . 1 1 25 25 LYS HD2 H 1 1.851 0.020 . 1 . . . . 25 LYS HD2 . 16389 1 272 . 1 1 25 25 LYS HD3 H 1 1.851 0.020 . 1 . . . . 25 LYS HD3 . 16389 1 273 . 1 1 25 25 LYS HE2 H 1 2.969 0.020 . 1 . . . . 25 LYS HE2 . 16389 1 274 . 1 1 25 25 LYS HE3 H 1 2.969 0.020 . 1 . . . . 25 LYS HE3 . 16389 1 275 . 1 1 25 25 LYS HG2 H 1 1.578 0.020 . 2 . . . . 25 LYS HG2 . 16389 1 276 . 1 1 25 25 LYS HG3 H 1 1.655 0.020 . 2 . . . . 25 LYS HG3 . 16389 1 277 . 1 1 25 25 LYS CA C 13 57.590 0.400 . 1 . . . . 25 LYS CA . 16389 1 278 . 1 1 25 25 LYS CB C 13 33.490 0.400 . 1 . . . . 25 LYS CB . 16389 1 279 . 1 1 25 25 LYS CD C 13 30.068 0.400 . 1 . . . . 25 LYS CD . 16389 1 280 . 1 1 25 25 LYS CE C 13 42.416 0.400 . 1 . . . . 25 LYS CE . 16389 1 281 . 1 1 25 25 LYS CG C 13 25.984 0.400 . 1 . . . . 25 LYS CG . 16389 1 282 . 1 1 25 25 LYS N N 15 121.530 0.400 . 1 . . . . 25 LYS N . 16389 1 283 . 1 1 26 26 TYR H H 1 7.853 0.020 . 1 . . . . 26 TYR H . 16389 1 284 . 1 1 26 26 TYR HA H 1 4.530 0.020 . 1 . . . . 26 TYR HA . 16389 1 285 . 1 1 26 26 TYR HB2 H 1 2.720 0.020 . 2 . . . . 26 TYR HB2 . 16389 1 286 . 1 1 26 26 TYR HB3 H 1 2.385 0.020 . 2 . . . . 26 TYR HB3 . 16389 1 287 . 1 1 26 26 TYR HD1 H 1 6.555 0.020 . 1 . . . . 26 TYR HD1 . 16389 1 288 . 1 1 26 26 TYR HD2 H 1 6.555 0.020 . 1 . . . . 26 TYR HD2 . 16389 1 289 . 1 1 26 26 TYR HE1 H 1 6.546 0.020 . 1 . . . . 26 TYR HE1 . 16389 1 290 . 1 1 26 26 TYR HE2 H 1 6.546 0.020 . 1 . . . . 26 TYR HE2 . 16389 1 291 . 1 1 26 26 TYR CA C 13 55.781 0.400 . 1 . . . . 26 TYR CA . 16389 1 292 . 1 1 26 26 TYR CB C 13 40.320 0.400 . 1 . . . . 26 TYR CB . 16389 1 293 . 1 1 26 26 TYR CD1 C 13 133.750 0.400 . 1 . . . . 26 TYR CD1 . 16389 1 294 . 1 1 26 26 TYR CE1 C 13 118.349 0.400 . 1 . . . . 26 TYR CE1 . 16389 1 295 . 1 1 26 26 TYR N N 15 114.501 0.400 . 1 . . . . 26 TYR N . 16389 1 296 . 1 1 27 27 PHE H H 1 9.530 0.020 . 1 . . . . 27 PHE H . 16389 1 297 . 1 1 27 27 PHE HA H 1 4.986 0.020 . 1 . . . . 27 PHE HA . 16389 1 298 . 1 1 27 27 PHE HB2 H 1 2.650 0.020 . 2 . . . . 27 PHE HB2 . 16389 1 299 . 1 1 27 27 PHE HB3 H 1 2.412 0.020 . 2 . . . . 27 PHE HB3 . 16389 1 300 . 1 1 27 27 PHE HD1 H 1 6.500 0.020 . 1 . . . . 27 PHE HD1 . 16389 1 301 . 1 1 27 27 PHE HD2 H 1 6.500 0.020 . 1 . . . . 27 PHE HD2 . 16389 1 302 . 1 1 27 27 PHE HE1 H 1 6.417 0.020 . 1 . . . . 27 PHE HE1 . 16389 1 303 . 1 1 27 27 PHE HE2 H 1 6.417 0.020 . 1 . . . . 27 PHE HE2 . 16389 1 304 . 1 1 27 27 PHE HZ H 1 6.020 0.020 . 1 . . . . 27 PHE HZ . 16389 1 305 . 1 1 27 27 PHE CA C 13 56.123 0.400 . 1 . . . . 27 PHE CA . 16389 1 306 . 1 1 27 27 PHE CB C 13 41.217 0.400 . 1 . . . . 27 PHE CB . 16389 1 307 . 1 1 27 27 PHE CD1 C 13 130.614 0.400 . 1 . . . . 27 PHE CD1 . 16389 1 308 . 1 1 27 27 PHE CE1 C 13 130.936 0.400 . 1 . . . . 27 PHE CE1 . 16389 1 309 . 1 1 27 27 PHE CZ C 13 129.934 0.400 . 1 . . . . 27 PHE CZ . 16389 1 310 . 1 1 27 27 PHE N N 15 117.254 0.400 . 1 . . . . 27 PHE N . 16389 1 311 . 1 1 28 28 LEU H H 1 8.808 0.020 . 1 . . . . 28 LEU H . 16389 1 312 . 1 1 28 28 LEU HA H 1 4.913 0.020 . 1 . . . . 28 LEU HA . 16389 1 313 . 1 1 28 28 LEU HB2 H 1 1.371 0.020 . 2 . . . . 28 LEU HB2 . 16389 1 314 . 1 1 28 28 LEU HB3 H 1 1.838 0.020 . 2 . . . . 28 LEU HB3 . 16389 1 315 . 1 1 28 28 LEU HD11 H 1 0.846 0.020 . 2 . . . . 28 LEU HD11 . 16389 1 316 . 1 1 28 28 LEU HD12 H 1 0.846 0.020 . 2 . . . . 28 LEU HD12 . 16389 1 317 . 1 1 28 28 LEU HD13 H 1 0.846 0.020 . 2 . . . . 28 LEU HD13 . 16389 1 318 . 1 1 28 28 LEU HD21 H 1 0.932 0.020 . 2 . . . . 28 LEU HD21 . 16389 1 319 . 1 1 28 28 LEU HD22 H 1 0.932 0.020 . 2 . . . . 28 LEU HD22 . 16389 1 320 . 1 1 28 28 LEU HD23 H 1 0.932 0.020 . 2 . . . . 28 LEU HD23 . 16389 1 321 . 1 1 28 28 LEU HG H 1 1.358 0.020 . 1 . . . . 28 LEU HG . 16389 1 322 . 1 1 28 28 LEU CA C 13 53.896 0.400 . 1 . . . . 28 LEU CA . 16389 1 323 . 1 1 28 28 LEU CB C 13 45.306 0.400 . 1 . . . . 28 LEU CB . 16389 1 324 . 1 1 28 28 LEU CD1 C 13 26.347 0.400 . 1 . . . . 28 LEU CD1 . 16389 1 325 . 1 1 28 28 LEU CD2 C 13 24.017 0.400 . 1 . . . . 28 LEU CD2 . 16389 1 326 . 1 1 28 28 LEU CG C 13 27.739 0.400 . 1 . . . . 28 LEU CG . 16389 1 327 . 1 1 28 28 LEU N N 15 126.432 0.400 . 1 . . . . 28 LEU N . 16389 1 328 . 1 1 29 29 ILE H H 1 9.488 0.020 . 1 . . . . 29 ILE H . 16389 1 329 . 1 1 29 29 ILE HA H 1 4.937 0.020 . 1 . . . . 29 ILE HA . 16389 1 330 . 1 1 29 29 ILE HB H 1 1.982 0.020 . 1 . . . . 29 ILE HB . 16389 1 331 . 1 1 29 29 ILE HD11 H 1 0.537 0.020 . 1 . . . . 29 ILE HD11 . 16389 1 332 . 1 1 29 29 ILE HD12 H 1 0.537 0.020 . 1 . . . . 29 ILE HD12 . 16389 1 333 . 1 1 29 29 ILE HD13 H 1 0.537 0.020 . 1 . . . . 29 ILE HD13 . 16389 1 334 . 1 1 29 29 ILE HG12 H 1 1.336 0.020 . 2 . . . . 29 ILE HG12 . 16389 1 335 . 1 1 29 29 ILE HG13 H 1 1.105 0.020 . 2 . . . . 29 ILE HG13 . 16389 1 336 . 1 1 29 29 ILE HG21 H 1 0.608 0.020 . 1 . . . . 29 ILE HG21 . 16389 1 337 . 1 1 29 29 ILE HG22 H 1 0.608 0.020 . 1 . . . . 29 ILE HG22 . 16389 1 338 . 1 1 29 29 ILE HG23 H 1 0.608 0.020 . 1 . . . . 29 ILE HG23 . 16389 1 339 . 1 1 29 29 ILE CA C 13 58.747 0.400 . 1 . . . . 29 ILE CA . 16389 1 340 . 1 1 29 29 ILE CB C 13 36.253 0.400 . 1 . . . . 29 ILE CB . 16389 1 341 . 1 1 29 29 ILE CD1 C 13 11.750 0.400 . 1 . . . . 29 ILE CD1 . 16389 1 342 . 1 1 29 29 ILE CG1 C 13 27.219 0.400 . 1 . . . . 29 ILE CG1 . 16389 1 343 . 1 1 29 29 ILE CG2 C 13 17.490 0.400 . 1 . . . . 29 ILE CG2 . 16389 1 344 . 1 1 29 29 ILE N N 15 127.710 0.400 . 1 . . . . 29 ILE N . 16389 1 345 . 1 1 30 30 VAL H H 1 9.387 0.020 . 1 . . . . 30 VAL H . 16389 1 346 . 1 1 30 30 VAL HA H 1 4.678 0.020 . 1 . . . . 30 VAL HA . 16389 1 347 . 1 1 30 30 VAL HB H 1 1.949 0.020 . 1 . . . . 30 VAL HB . 16389 1 348 . 1 1 30 30 VAL HG11 H 1 0.753 0.020 . 2 . . . . 30 VAL HG11 . 16389 1 349 . 1 1 30 30 VAL HG12 H 1 0.753 0.020 . 2 . . . . 30 VAL HG12 . 16389 1 350 . 1 1 30 30 VAL HG13 H 1 0.753 0.020 . 2 . . . . 30 VAL HG13 . 16389 1 351 . 1 1 30 30 VAL HG21 H 1 0.838 0.020 . 2 . . . . 30 VAL HG21 . 16389 1 352 . 1 1 30 30 VAL HG22 H 1 0.838 0.020 . 2 . . . . 30 VAL HG22 . 16389 1 353 . 1 1 30 30 VAL HG23 H 1 0.838 0.020 . 2 . . . . 30 VAL HG23 . 16389 1 354 . 1 1 30 30 VAL CA C 13 60.721 0.400 . 1 . . . . 30 VAL CA . 16389 1 355 . 1 1 30 30 VAL CB C 13 34.480 0.400 . 1 . . . . 30 VAL CB . 16389 1 356 . 1 1 30 30 VAL CG1 C 13 20.813 0.400 . 1 . . . . 30 VAL CG1 . 16389 1 357 . 1 1 30 30 VAL CG2 C 13 22.592 0.400 . 1 . . . . 30 VAL CG2 . 16389 1 358 . 1 1 30 30 VAL N N 15 127.670 0.400 . 1 . . . . 30 VAL N . 16389 1 359 . 1 1 31 31 ARG H H 1 8.447 0.020 . 1 . . . . 31 ARG H . 16389 1 360 . 1 1 31 31 ARG HA H 1 4.985 0.020 . 1 . . . . 31 ARG HA . 16389 1 361 . 1 1 31 31 ARG HB2 H 1 1.501 0.020 . 2 . . . . 31 ARG HB2 . 16389 1 362 . 1 1 31 31 ARG HB3 H 1 1.932 0.020 . 2 . . . . 31 ARG HB3 . 16389 1 363 . 1 1 31 31 ARG HD2 H 1 3.165 0.020 . 2 . . . . 31 ARG HD2 . 16389 1 364 . 1 1 31 31 ARG HD3 H 1 2.977 0.020 . 2 . . . . 31 ARG HD3 . 16389 1 365 . 1 1 31 31 ARG HG2 H 1 1.482 0.020 . 2 . . . . 31 ARG HG2 . 16389 1 366 . 1 1 31 31 ARG HG3 H 1 1.328 0.020 . 2 . . . . 31 ARG HG3 . 16389 1 367 . 1 1 31 31 ARG CA C 13 55.383 0.400 . 1 . . . . 31 ARG CA . 16389 1 368 . 1 1 31 31 ARG CB C 13 31.910 0.400 . 1 . . . . 31 ARG CB . 16389 1 369 . 1 1 31 31 ARG CD C 13 43.690 0.400 . 1 . . . . 31 ARG CD . 16389 1 370 . 1 1 31 31 ARG CG C 13 28.530 0.400 . 1 . . . . 31 ARG CG . 16389 1 371 . 1 1 31 31 ARG N N 15 126.835 0.400 . 1 . . . . 31 ARG N . 16389 1 372 . 1 1 32 32 ILE H H 1 9.142 0.020 . 1 . . . . 32 ILE H . 16389 1 373 . 1 1 32 32 ILE HA H 1 4.739 0.020 . 1 . . . . 32 ILE HA . 16389 1 374 . 1 1 32 32 ILE HB H 1 1.527 0.020 . 1 . . . . 32 ILE HB . 16389 1 375 . 1 1 32 32 ILE HD11 H 1 0.742 0.020 . 1 . . . . 32 ILE HD11 . 16389 1 376 . 1 1 32 32 ILE HD12 H 1 0.742 0.020 . 1 . . . . 32 ILE HD12 . 16389 1 377 . 1 1 32 32 ILE HD13 H 1 0.742 0.020 . 1 . . . . 32 ILE HD13 . 16389 1 378 . 1 1 32 32 ILE HG12 H 1 1.475 0.020 . 1 . . . . 32 ILE HG12 . 16389 1 379 . 1 1 32 32 ILE HG13 H 1 1.475 0.020 . 1 . . . . 32 ILE HG13 . 16389 1 380 . 1 1 32 32 ILE HG21 H 1 0.618 0.020 . 1 . . . . 32 ILE HG21 . 16389 1 381 . 1 1 32 32 ILE HG22 H 1 0.618 0.020 . 1 . . . . 32 ILE HG22 . 16389 1 382 . 1 1 32 32 ILE HG23 H 1 0.618 0.020 . 1 . . . . 32 ILE HG23 . 16389 1 383 . 1 1 32 32 ILE CA C 13 60.184 0.400 . 1 . . . . 32 ILE CA . 16389 1 384 . 1 1 32 32 ILE CB C 13 41.033 0.400 . 1 . . . . 32 ILE CB . 16389 1 385 . 1 1 32 32 ILE CD1 C 13 14.788 0.400 . 1 . . . . 32 ILE CD1 . 16389 1 386 . 1 1 32 32 ILE CG1 C 13 28.657 0.400 . 1 . . . . 32 ILE CG1 . 16389 1 387 . 1 1 32 32 ILE CG2 C 13 17.494 0.400 . 1 . . . . 32 ILE CG2 . 16389 1 388 . 1 1 32 32 ILE N N 15 129.118 0.400 . 1 . . . . 32 ILE N . 16389 1 389 . 1 1 33 33 ASP H H 1 8.671 0.020 . 1 . . . . 33 ASP H . 16389 1 390 . 1 1 33 33 ASP HA H 1 5.180 0.020 . 1 . . . . 33 ASP HA . 16389 1 391 . 1 1 33 33 ASP HB2 H 1 2.488 0.020 . 2 . . . . 33 ASP HB2 . 16389 1 392 . 1 1 33 33 ASP HB3 H 1 2.455 0.020 . 2 . . . . 33 ASP HB3 . 16389 1 393 . 1 1 33 33 ASP CA C 13 53.826 0.400 . 1 . . . . 33 ASP CA . 16389 1 394 . 1 1 33 33 ASP CB C 13 44.683 0.400 . 1 . . . . 33 ASP CB . 16389 1 395 . 1 1 33 33 ASP N N 15 125.181 0.400 . 1 . . . . 33 ASP N . 16389 1 396 . 1 1 34 34 ASP H H 1 8.610 0.020 . 1 . . . . 34 ASP H . 16389 1 397 . 1 1 34 34 ASP HA H 1 4.067 0.020 . 1 . . . . 34 ASP HA . 16389 1 398 . 1 1 34 34 ASP HB2 H 1 2.928 0.020 . 2 . . . . 34 ASP HB2 . 16389 1 399 . 1 1 34 34 ASP HB3 H 1 2.518 0.020 . 2 . . . . 34 ASP HB3 . 16389 1 400 . 1 1 34 34 ASP CA C 13 56.340 0.400 . 1 . . . . 34 ASP CA . 16389 1 401 . 1 1 34 34 ASP CB C 13 39.750 0.400 . 1 . . . . 34 ASP CB . 16389 1 402 . 1 1 34 34 ASP N N 15 124.701 0.400 . 1 . . . . 34 ASP N . 16389 1 403 . 1 1 35 35 ASN H H 1 7.987 0.020 . 1 . . . . 35 ASN H . 16389 1 404 . 1 1 35 35 ASN HA H 1 3.889 0.020 . 1 . . . . 35 ASN HA . 16389 1 405 . 1 1 35 35 ASN HB2 H 1 3.035 0.020 . 2 . . . . 35 ASN HB2 . 16389 1 406 . 1 1 35 35 ASN HB3 H 1 2.965 0.020 . 2 . . . . 35 ASN HB3 . 16389 1 407 . 1 1 35 35 ASN HD21 H 1 6.801 0.020 . 2 . . . . 35 ASN HD21 . 16389 1 408 . 1 1 35 35 ASN HD22 H 1 7.407 0.020 . 2 . . . . 35 ASN HD22 . 16389 1 409 . 1 1 35 35 ASN CA C 13 55.225 0.400 . 1 . . . . 35 ASN CA . 16389 1 410 . 1 1 35 35 ASN CB C 13 37.764 0.400 . 1 . . . . 35 ASN CB . 16389 1 411 . 1 1 35 35 ASN N N 15 107.939 0.400 . 1 . . . . 35 ASN N . 16389 1 412 . 1 1 35 35 ASN ND2 N 15 111.726 0.400 . 1 . . . . 35 ASN ND2 . 16389 1 413 . 1 1 36 36 GLU H H 1 7.711 0.020 . 1 . . . . 36 GLU H . 16389 1 414 . 1 1 36 36 GLU HA H 1 4.609 0.020 . 1 . . . . 36 GLU HA . 16389 1 415 . 1 1 36 36 GLU HB2 H 1 1.860 0.020 . 2 . . . . 36 GLU HB2 . 16389 1 416 . 1 1 36 36 GLU HB3 H 1 1.940 0.020 . 2 . . . . 36 GLU HB3 . 16389 1 417 . 1 1 36 36 GLU HG2 H 1 2.174 0.020 . 1 . . . . 36 GLU HG2 . 16389 1 418 . 1 1 36 36 GLU HG3 H 1 2.174 0.020 . 1 . . . . 36 GLU HG3 . 16389 1 419 . 1 1 36 36 GLU CA C 13 54.840 0.400 . 1 . . . . 36 GLU CA . 16389 1 420 . 1 1 36 36 GLU CB C 13 33.506 0.400 . 1 . . . . 36 GLU CB . 16389 1 421 . 1 1 36 36 GLU CG C 13 36.157 0.400 . 1 . . . . 36 GLU CG . 16389 1 422 . 1 1 36 36 GLU N N 15 117.349 0.400 . 1 . . . . 36 GLU N . 16389 1 423 . 1 1 37 37 VAL H H 1 8.661 0.020 . 1 . . . . 37 VAL H . 16389 1 424 . 1 1 37 37 VAL HA H 1 3.914 0.020 . 1 . . . . 37 VAL HA . 16389 1 425 . 1 1 37 37 VAL HB H 1 1.951 0.020 . 1 . . . . 37 VAL HB . 16389 1 426 . 1 1 37 37 VAL HG11 H 1 0.789 0.020 . 2 . . . . 37 VAL HG11 . 16389 1 427 . 1 1 37 37 VAL HG12 H 1 0.789 0.020 . 2 . . . . 37 VAL HG12 . 16389 1 428 . 1 1 37 37 VAL HG13 H 1 0.789 0.020 . 2 . . . . 37 VAL HG13 . 16389 1 429 . 1 1 37 37 VAL HG21 H 1 0.855 0.020 . 2 . . . . 37 VAL HG21 . 16389 1 430 . 1 1 37 37 VAL HG22 H 1 0.855 0.020 . 2 . . . . 37 VAL HG22 . 16389 1 431 . 1 1 37 37 VAL HG23 H 1 0.855 0.020 . 2 . . . . 37 VAL HG23 . 16389 1 432 . 1 1 37 37 VAL CA C 13 64.387 0.400 . 1 . . . . 37 VAL CA . 16389 1 433 . 1 1 37 37 VAL CB C 13 31.743 0.400 . 1 . . . . 37 VAL CB . 16389 1 434 . 1 1 37 37 VAL CG1 C 13 21.686 0.400 . 1 . . . . 37 VAL CG1 . 16389 1 435 . 1 1 37 37 VAL CG2 C 13 22.461 0.400 . 1 . . . . 37 VAL CG2 . 16389 1 436 . 1 1 37 37 VAL N N 15 123.207 0.400 . 1 . . . . 37 VAL N . 16389 1 437 . 1 1 38 38 LYS H H 1 9.125 0.020 . 1 . . . . 38 LYS H . 16389 1 438 . 1 1 38 38 LYS HA H 1 4.523 0.020 . 1 . . . . 38 LYS HA . 16389 1 439 . 1 1 38 38 LYS HB2 H 1 1.854 0.020 . 2 . . . . 38 LYS HB2 . 16389 1 440 . 1 1 38 38 LYS HB3 H 1 1.581 0.020 . 2 . . . . 38 LYS HB3 . 16389 1 441 . 1 1 38 38 LYS HD2 H 1 1.680 0.020 . 2 . . . . 38 LYS HD2 . 16389 1 442 . 1 1 38 38 LYS HD3 H 1 1.570 0.020 . 2 . . . . 38 LYS HD3 . 16389 1 443 . 1 1 38 38 LYS HE2 H 1 2.980 0.020 . 1 . . . . 38 LYS HE2 . 16389 1 444 . 1 1 38 38 LYS HE3 H 1 2.980 0.020 . 1 . . . . 38 LYS HE3 . 16389 1 445 . 1 1 38 38 LYS HG2 H 1 1.534 0.020 . 2 . . . . 38 LYS HG2 . 16389 1 446 . 1 1 38 38 LYS HG3 H 1 1.570 0.020 . 2 . . . . 38 LYS HG3 . 16389 1 447 . 1 1 38 38 LYS CA C 13 55.274 0.400 . 1 . . . . 38 LYS CA . 16389 1 448 . 1 1 38 38 LYS CB C 13 34.579 0.400 . 1 . . . . 38 LYS CB . 16389 1 449 . 1 1 38 38 LYS CD C 13 28.370 0.400 . 1 . . . . 38 LYS CD . 16389 1 450 . 1 1 38 38 LYS CE C 13 42.420 0.400 . 1 . . . . 38 LYS CE . 16389 1 451 . 1 1 38 38 LYS CG C 13 24.767 0.400 . 1 . . . . 38 LYS CG . 16389 1 452 . 1 1 38 38 LYS N N 15 127.569 0.400 . 1 . . . . 38 LYS N . 16389 1 453 . 1 1 39 39 SER H H 1 7.520 0.020 . 1 . . . . 39 SER H . 16389 1 454 . 1 1 39 39 SER HA H 1 4.704 0.020 . 1 . . . . 39 SER HA . 16389 1 455 . 1 1 39 39 SER HB2 H 1 3.875 0.020 . 1 . . . . 39 SER HB2 . 16389 1 456 . 1 1 39 39 SER HB3 H 1 3.875 0.020 . 1 . . . . 39 SER HB3 . 16389 1 457 . 1 1 39 39 SER CA C 13 58.117 0.400 . 1 . . . . 39 SER CA . 16389 1 458 . 1 1 39 39 SER CB C 13 64.980 0.400 . 1 . . . . 39 SER CB . 16389 1 459 . 1 1 39 39 SER N N 15 110.898 0.400 . 1 . . . . 39 SER N . 16389 1 460 . 1 1 40 40 THR H H 1 8.122 0.020 . 1 . . . . 40 THR H . 16389 1 461 . 1 1 40 40 THR HA H 1 5.390 0.020 . 1 . . . . 40 THR HA . 16389 1 462 . 1 1 40 40 THR HB H 1 3.956 0.020 . 1 . . . . 40 THR HB . 16389 1 463 . 1 1 40 40 THR HG21 H 1 1.081 0.020 . 1 . . . . 40 THR HG21 . 16389 1 464 . 1 1 40 40 THR HG22 H 1 1.081 0.020 . 1 . . . . 40 THR HG22 . 16389 1 465 . 1 1 40 40 THR HG23 H 1 1.081 0.020 . 1 . . . . 40 THR HG23 . 16389 1 466 . 1 1 40 40 THR CA C 13 60.519 0.400 . 1 . . . . 40 THR CA . 16389 1 467 . 1 1 40 40 THR CB C 13 72.633 0.400 . 1 . . . . 40 THR CB . 16389 1 468 . 1 1 40 40 THR CG2 C 13 22.459 0.400 . 1 . . . . 40 THR CG2 . 16389 1 469 . 1 1 40 40 THR N N 15 112.018 0.400 . 1 . . . . 40 THR N . 16389 1 470 . 1 1 41 41 LYS H H 1 8.641 0.020 . 1 . . . . 41 LYS H . 16389 1 471 . 1 1 41 41 LYS HA H 1 4.597 0.020 . 1 . . . . 41 LYS HA . 16389 1 472 . 1 1 41 41 LYS HB2 H 1 1.721 0.020 . 1 . . . . 41 LYS HB2 . 16389 1 473 . 1 1 41 41 LYS HB3 H 1 1.721 0.020 . 1 . . . . 41 LYS HB3 . 16389 1 474 . 1 1 41 41 LYS HD2 H 1 1.534 0.020 . 1 . . . . 41 LYS HD2 . 16389 1 475 . 1 1 41 41 LYS HD3 H 1 1.534 0.020 . 1 . . . . 41 LYS HD3 . 16389 1 476 . 1 1 41 41 LYS HE2 H 1 2.755 0.020 . 1 . . . . 41 LYS HE2 . 16389 1 477 . 1 1 41 41 LYS HE3 H 1 2.755 0.020 . 1 . . . . 41 LYS HE3 . 16389 1 478 . 1 1 41 41 LYS HG2 H 1 1.182 0.020 . 2 . . . . 41 LYS HG2 . 16389 1 479 . 1 1 41 41 LYS HG3 H 1 1.259 0.020 . 2 . . . . 41 LYS HG3 . 16389 1 480 . 1 1 41 41 LYS CA C 13 55.610 0.400 . 1 . . . . 41 LYS CA . 16389 1 481 . 1 1 41 41 LYS CB C 13 36.316 0.400 . 1 . . . . 41 LYS CB . 16389 1 482 . 1 1 41 41 LYS CD C 13 29.889 0.400 . 1 . . . . 41 LYS CD . 16389 1 483 . 1 1 41 41 LYS CE C 13 42.305 0.400 . 1 . . . . 41 LYS CE . 16389 1 484 . 1 1 41 41 LYS CG C 13 24.913 0.400 . 1 . . . . 41 LYS CG . 16389 1 485 . 1 1 41 41 LYS N N 15 120.890 0.400 . 1 . . . . 41 LYS N . 16389 1 486 . 1 1 42 42 VAL H H 1 8.150 0.020 . 1 . . . . 42 VAL H . 16389 1 487 . 1 1 42 42 VAL HA H 1 4.757 0.020 . 1 . . . . 42 VAL HA . 16389 1 488 . 1 1 42 42 VAL HB H 1 1.552 0.020 . 1 . . . . 42 VAL HB . 16389 1 489 . 1 1 42 42 VAL HG11 H 1 0.209 0.020 . 2 . . . . 42 VAL HG11 . 16389 1 490 . 1 1 42 42 VAL HG12 H 1 0.209 0.020 . 2 . . . . 42 VAL HG12 . 16389 1 491 . 1 1 42 42 VAL HG13 H 1 0.209 0.020 . 2 . . . . 42 VAL HG13 . 16389 1 492 . 1 1 42 42 VAL HG21 H 1 0.540 0.020 . 2 . . . . 42 VAL HG21 . 16389 1 493 . 1 1 42 42 VAL HG22 H 1 0.540 0.020 . 2 . . . . 42 VAL HG22 . 16389 1 494 . 1 1 42 42 VAL HG23 H 1 0.540 0.020 . 2 . . . . 42 VAL HG23 . 16389 1 495 . 1 1 42 42 VAL CA C 13 61.738 0.400 . 1 . . . . 42 VAL CA . 16389 1 496 . 1 1 42 42 VAL CB C 13 34.630 0.400 . 1 . . . . 42 VAL CB . 16389 1 497 . 1 1 42 42 VAL CG1 C 13 21.300 0.400 . 1 . . . . 42 VAL CG1 . 16389 1 498 . 1 1 42 42 VAL CG2 C 13 21.088 0.400 . 1 . . . . 42 VAL CG2 . 16389 1 499 . 1 1 42 42 VAL N N 15 121.400 0.400 . 1 . . . . 42 VAL N . 16389 1 500 . 1 1 43 43 ILE H H 1 8.659 0.020 . 1 . . . . 43 ILE H . 16389 1 501 . 1 1 43 43 ILE HA H 1 4.369 0.020 . 1 . . . . 43 ILE HA . 16389 1 502 . 1 1 43 43 ILE HB H 1 1.704 0.020 . 1 . . . . 43 ILE HB . 16389 1 503 . 1 1 43 43 ILE HD11 H 1 0.673 0.020 . 1 . . . . 43 ILE HD11 . 16389 1 504 . 1 1 43 43 ILE HD12 H 1 0.673 0.020 . 1 . . . . 43 ILE HD12 . 16389 1 505 . 1 1 43 43 ILE HD13 H 1 0.673 0.020 . 1 . . . . 43 ILE HD13 . 16389 1 506 . 1 1 43 43 ILE HG12 H 1 1.391 0.020 . 2 . . . . 43 ILE HG12 . 16389 1 507 . 1 1 43 43 ILE HG13 H 1 1.098 0.020 . 2 . . . . 43 ILE HG13 . 16389 1 508 . 1 1 43 43 ILE HG21 H 1 1.050 0.020 . 1 . . . . 43 ILE HG21 . 16389 1 509 . 1 1 43 43 ILE HG22 H 1 1.050 0.020 . 1 . . . . 43 ILE HG22 . 16389 1 510 . 1 1 43 43 ILE HG23 H 1 1.050 0.020 . 1 . . . . 43 ILE HG23 . 16389 1 511 . 1 1 43 43 ILE CA C 13 60.187 0.400 . 1 . . . . 43 ILE CA . 16389 1 512 . 1 1 43 43 ILE CB C 13 42.009 0.400 . 1 . . . . 43 ILE CB . 16389 1 513 . 1 1 43 43 ILE CD1 C 13 13.727 0.400 . 1 . . . . 43 ILE CD1 . 16389 1 514 . 1 1 43 43 ILE CG1 C 13 27.549 0.400 . 1 . . . . 43 ILE CG1 . 16389 1 515 . 1 1 43 43 ILE CG2 C 13 17.989 0.400 . 1 . . . . 43 ILE CG2 . 16389 1 516 . 1 1 43 43 ILE N N 15 125.520 0.400 . 1 . . . . 43 ILE N . 16389 1 517 . 1 1 44 44 PHE H H 1 9.053 0.020 . 1 . . . . 44 PHE H . 16389 1 518 . 1 1 44 44 PHE HA H 1 4.308 0.020 . 1 . . . . 44 PHE HA . 16389 1 519 . 1 1 44 44 PHE HB2 H 1 3.035 0.020 . 1 . . . . 44 PHE HB2 . 16389 1 520 . 1 1 44 44 PHE HB3 H 1 3.035 0.020 . 1 . . . . 44 PHE HB3 . 16389 1 521 . 1 1 44 44 PHE HD1 H 1 7.269 0.020 . 1 . . . . 44 PHE HD1 . 16389 1 522 . 1 1 44 44 PHE HD2 H 1 7.269 0.020 . 1 . . . . 44 PHE HD2 . 16389 1 523 . 1 1 44 44 PHE HE1 H 1 7.166 0.020 . 1 . . . . 44 PHE HE1 . 16389 1 524 . 1 1 44 44 PHE HE2 H 1 7.166 0.020 . 1 . . . . 44 PHE HE2 . 16389 1 525 . 1 1 44 44 PHE HZ H 1 7.020 0.020 . 1 . . . . 44 PHE HZ . 16389 1 526 . 1 1 44 44 PHE CA C 13 60.362 0.400 . 1 . . . . 44 PHE CA . 16389 1 527 . 1 1 44 44 PHE CB C 13 39.435 0.400 . 1 . . . . 44 PHE CB . 16389 1 528 . 1 1 44 44 PHE CD1 C 13 131.411 0.400 . 1 . . . . 44 PHE CD1 . 16389 1 529 . 1 1 44 44 PHE CE1 C 13 131.445 0.400 . 1 . . . . 44 PHE CE1 . 16389 1 530 . 1 1 44 44 PHE CZ C 13 129.759 0.400 . 1 . . . . 44 PHE CZ . 16389 1 531 . 1 1 44 44 PHE N N 15 127.064 0.400 . 1 . . . . 44 PHE N . 16389 1 532 . 1 1 45 45 ASN H H 1 7.661 0.020 . 1 . . . . 45 ASN H . 16389 1 533 . 1 1 45 45 ASN HA H 1 4.859 0.020 . 1 . . . . 45 ASN HA . 16389 1 534 . 1 1 45 45 ASN HB2 H 1 2.619 0.020 . 2 . . . . 45 ASN HB2 . 16389 1 535 . 1 1 45 45 ASN HB3 H 1 1.540 0.020 . 2 . . . . 45 ASN HB3 . 16389 1 536 . 1 1 45 45 ASN HD21 H 1 5.948 0.020 . 2 . . . . 45 ASN HD21 . 16389 1 537 . 1 1 45 45 ASN HD22 H 1 7.861 0.020 . 2 . . . . 45 ASN HD22 . 16389 1 538 . 1 1 45 45 ASN CA C 13 52.427 0.400 . 1 . . . . 45 ASN CA . 16389 1 539 . 1 1 45 45 ASN CB C 13 37.750 0.400 . 1 . . . . 45 ASN CB . 16389 1 540 . 1 1 45 45 ASN N N 15 119.400 0.400 . 1 . . . . 45 ASN N . 16389 1 541 . 1 1 45 45 ASN ND2 N 15 112.164 0.400 . 1 . . . . 45 ASN ND2 . 16389 1 542 . 1 1 46 46 ASP H H 1 7.851 0.020 . 1 . . . . 46 ASP H . 16389 1 543 . 1 1 46 46 ASP HA H 1 4.700 0.020 . 1 . . . . 46 ASP HA . 16389 1 544 . 1 1 46 46 ASP HB2 H 1 2.797 0.020 . 2 . . . . 46 ASP HB2 . 16389 1 545 . 1 1 46 46 ASP HB3 H 1 3.176 0.020 . 2 . . . . 46 ASP HB3 . 16389 1 546 . 1 1 46 46 ASP CA C 13 52.273 0.400 . 1 . . . . 46 ASP CA . 16389 1 547 . 1 1 46 46 ASP CB C 13 41.647 0.400 . 1 . . . . 46 ASP CB . 16389 1 548 . 1 1 46 46 ASP N N 15 123.371 0.400 . 1 . . . . 46 ASP N . 16389 1 549 . 1 1 47 47 GLU H H 1 8.594 0.020 . 1 . . . . 47 GLU H . 16389 1 550 . 1 1 47 47 GLU HA H 1 4.036 0.020 . 1 . . . . 47 GLU HA . 16389 1 551 . 1 1 47 47 GLU HB2 H 1 2.073 0.020 . 1 . . . . 47 GLU HB2 . 16389 1 552 . 1 1 47 47 GLU HB3 H 1 2.073 0.020 . 1 . . . . 47 GLU HB3 . 16389 1 553 . 1 1 47 47 GLU HG2 H 1 2.331 0.020 . 1 . . . . 47 GLU HG2 . 16389 1 554 . 1 1 47 47 GLU HG3 H 1 2.331 0.020 . 1 . . . . 47 GLU HG3 . 16389 1 555 . 1 1 47 47 GLU CA C 13 60.769 0.400 . 1 . . . . 47 GLU CA . 16389 1 556 . 1 1 47 47 GLU CB C 13 29.524 0.400 . 1 . . . . 47 GLU CB . 16389 1 557 . 1 1 47 47 GLU CG C 13 36.632 0.400 . 1 . . . . 47 GLU CG . 16389 1 558 . 1 1 47 47 GLU N N 15 119.009 0.400 . 1 . . . . 47 GLU N . 16389 1 559 . 1 1 48 48 SER H H 1 8.189 0.020 . 1 . . . . 48 SER H . 16389 1 560 . 1 1 48 48 SER HA H 1 4.325 0.020 . 1 . . . . 48 SER HA . 16389 1 561 . 1 1 48 48 SER HB2 H 1 3.956 0.020 . 1 . . . . 48 SER HB2 . 16389 1 562 . 1 1 48 48 SER HB3 H 1 3.956 0.020 . 1 . . . . 48 SER HB3 . 16389 1 563 . 1 1 48 48 SER CA C 13 61.267 0.400 . 1 . . . . 48 SER CA . 16389 1 564 . 1 1 48 48 SER CB C 13 63.288 0.400 . 1 . . . . 48 SER CB . 16389 1 565 . 1 1 48 48 SER N N 15 114.380 0.400 . 1 . . . . 48 SER N . 16389 1 566 . 1 1 49 49 GLY H H 1 8.969 0.020 . 1 . . . . 49 GLY H . 16389 1 567 . 1 1 49 49 GLY HA2 H 1 4.689 0.020 . 2 . . . . 49 GLY HA2 . 16389 1 568 . 1 1 49 49 GLY HA3 H 1 3.835 0.020 . 2 . . . . 49 GLY HA3 . 16389 1 569 . 1 1 49 49 GLY CA C 13 47.894 0.400 . 1 . . . . 49 GLY CA . 16389 1 570 . 1 1 49 49 GLY N N 15 115.036 0.400 . 1 . . . . 49 GLY N . 16389 1 571 . 1 1 50 50 LYS H H 1 8.432 0.020 . 1 . . . . 50 LYS H . 16389 1 572 . 1 1 50 50 LYS HA H 1 3.895 0.020 . 1 . . . . 50 LYS HA . 16389 1 573 . 1 1 50 50 LYS HB2 H 1 1.941 0.020 . 2 . . . . 50 LYS HB2 . 16389 1 574 . 1 1 50 50 LYS HB3 H 1 1.867 0.020 . 2 . . . . 50 LYS HB3 . 16389 1 575 . 1 1 50 50 LYS HD2 H 1 1.701 0.020 . 1 . . . . 50 LYS HD2 . 16389 1 576 . 1 1 50 50 LYS HD3 H 1 1.701 0.020 . 1 . . . . 50 LYS HD3 . 16389 1 577 . 1 1 50 50 LYS HE2 H 1 2.982 0.020 . 1 . . . . 50 LYS HE2 . 16389 1 578 . 1 1 50 50 LYS HE3 H 1 2.982 0.020 . 1 . . . . 50 LYS HE3 . 16389 1 579 . 1 1 50 50 LYS HG2 H 1 1.424 0.020 . 2 . . . . 50 LYS HG2 . 16389 1 580 . 1 1 50 50 LYS HG3 H 1 1.833 0.020 . 2 . . . . 50 LYS HG3 . 16389 1 581 . 1 1 50 50 LYS CA C 13 60.624 0.400 . 1 . . . . 50 LYS CA . 16389 1 582 . 1 1 50 50 LYS CB C 13 32.839 0.400 . 1 . . . . 50 LYS CB . 16389 1 583 . 1 1 50 50 LYS CD C 13 29.790 0.400 . 1 . . . . 50 LYS CD . 16389 1 584 . 1 1 50 50 LYS CE C 13 42.488 0.400 . 1 . . . . 50 LYS CE . 16389 1 585 . 1 1 50 50 LYS CG C 13 26.942 0.400 . 1 . . . . 50 LYS CG . 16389 1 586 . 1 1 50 50 LYS N N 15 119.788 0.400 . 1 . . . . 50 LYS N . 16389 1 587 . 1 1 51 51 LYS H H 1 7.463 0.020 . 1 . . . . 51 LYS H . 16389 1 588 . 1 1 51 51 LYS HA H 1 4.177 0.020 . 1 . . . . 51 LYS HA . 16389 1 589 . 1 1 51 51 LYS HB2 H 1 2.009 0.020 . 2 . . . . 51 LYS HB2 . 16389 1 590 . 1 1 51 51 LYS HB3 H 1 1.898 0.020 . 2 . . . . 51 LYS HB3 . 16389 1 591 . 1 1 51 51 LYS HD2 H 1 1.703 0.020 . 1 . . . . 51 LYS HD2 . 16389 1 592 . 1 1 51 51 LYS HD3 H 1 1.703 0.020 . 1 . . . . 51 LYS HD3 . 16389 1 593 . 1 1 51 51 LYS HE2 H 1 2.981 0.020 . 1 . . . . 51 LYS HE2 . 16389 1 594 . 1 1 51 51 LYS HE3 H 1 2.981 0.020 . 1 . . . . 51 LYS HE3 . 16389 1 595 . 1 1 51 51 LYS HG2 H 1 1.455 0.020 . 2 . . . . 51 LYS HG2 . 16389 1 596 . 1 1 51 51 LYS HG3 H 1 1.653 0.020 . 2 . . . . 51 LYS HG3 . 16389 1 597 . 1 1 51 51 LYS CA C 13 59.201 0.400 . 1 . . . . 51 LYS CA . 16389 1 598 . 1 1 51 51 LYS CB C 13 32.716 0.400 . 1 . . . . 51 LYS CB . 16389 1 599 . 1 1 51 51 LYS CD C 13 29.774 0.400 . 1 . . . . 51 LYS CD . 16389 1 600 . 1 1 51 51 LYS CE C 13 42.451 0.400 . 1 . . . . 51 LYS CE . 16389 1 601 . 1 1 51 51 LYS CG C 13 25.837 0.400 . 1 . . . . 51 LYS CG . 16389 1 602 . 1 1 51 51 LYS N N 15 117.430 0.400 . 1 . . . . 51 LYS N . 16389 1 603 . 1 1 52 52 SER H H 1 8.443 0.020 . 1 . . . . 52 SER H . 16389 1 604 . 1 1 52 52 SER HA H 1 4.189 0.020 . 1 . . . . 52 SER HA . 16389 1 605 . 1 1 52 52 SER HB2 H 1 4.190 0.020 . 2 . . . . 52 SER HB2 . 16389 1 606 . 1 1 52 52 SER HB3 H 1 3.936 0.020 . 2 . . . . 52 SER HB3 . 16389 1 607 . 1 1 52 52 SER CA C 13 62.446 0.400 . 1 . . . . 52 SER CA . 16389 1 608 . 1 1 52 52 SER CB C 13 63.208 0.400 . 1 . . . . 52 SER CB . 16389 1 609 . 1 1 52 52 SER N N 15 117.609 0.400 . 1 . . . . 52 SER N . 16389 1 610 . 1 1 53 53 ILE H H 1 8.022 0.020 . 1 . . . . 53 ILE H . 16389 1 611 . 1 1 53 53 ILE HA H 1 3.475 0.020 . 1 . . . . 53 ILE HA . 16389 1 612 . 1 1 53 53 ILE HB H 1 1.693 0.020 . 1 . . . . 53 ILE HB . 16389 1 613 . 1 1 53 53 ILE HD11 H 1 -0.142 0.020 . 1 . . . . 53 ILE HD11 . 16389 1 614 . 1 1 53 53 ILE HD12 H 1 -0.142 0.020 . 1 . . . . 53 ILE HD12 . 16389 1 615 . 1 1 53 53 ILE HD13 H 1 -0.142 0.020 . 1 . . . . 53 ILE HD13 . 16389 1 616 . 1 1 53 53 ILE HG12 H 1 0.643 0.020 . 2 . . . . 53 ILE HG12 . 16389 1 617 . 1 1 53 53 ILE HG13 H 1 1.070 0.020 . 2 . . . . 53 ILE HG13 . 16389 1 618 . 1 1 53 53 ILE HG21 H 1 0.498 0.020 . 1 . . . . 53 ILE HG21 . 16389 1 619 . 1 1 53 53 ILE HG22 H 1 0.498 0.020 . 1 . . . . 53 ILE HG22 . 16389 1 620 . 1 1 53 53 ILE HG23 H 1 0.498 0.020 . 1 . . . . 53 ILE HG23 . 16389 1 621 . 1 1 53 53 ILE CA C 13 64.740 0.400 . 1 . . . . 53 ILE CA . 16389 1 622 . 1 1 53 53 ILE CB C 13 37.420 0.400 . 1 . . . . 53 ILE CB . 16389 1 623 . 1 1 53 53 ILE CD1 C 13 12.101 0.400 . 1 . . . . 53 ILE CD1 . 16389 1 624 . 1 1 53 53 ILE CG1 C 13 28.557 0.400 . 1 . . . . 53 ILE CG1 . 16389 1 625 . 1 1 53 53 ILE CG2 C 13 17.328 0.400 . 1 . . . . 53 ILE CG2 . 16389 1 626 . 1 1 53 53 ILE N N 15 120.530 0.400 . 1 . . . . 53 ILE N . 16389 1 627 . 1 1 54 54 VAL H H 1 6.854 0.020 . 1 . . . . 54 VAL H . 16389 1 628 . 1 1 54 54 VAL HA H 1 3.739 0.020 . 1 . . . . 54 VAL HA . 16389 1 629 . 1 1 54 54 VAL HB H 1 2.172 0.020 . 1 . . . . 54 VAL HB . 16389 1 630 . 1 1 54 54 VAL HG11 H 1 1.056 0.020 . 2 . . . . 54 VAL HG11 . 16389 1 631 . 1 1 54 54 VAL HG12 H 1 1.056 0.020 . 2 . . . . 54 VAL HG12 . 16389 1 632 . 1 1 54 54 VAL HG13 H 1 1.056 0.020 . 2 . . . . 54 VAL HG13 . 16389 1 633 . 1 1 54 54 VAL HG21 H 1 0.934 0.020 . 2 . . . . 54 VAL HG21 . 16389 1 634 . 1 1 54 54 VAL HG22 H 1 0.934 0.020 . 2 . . . . 54 VAL HG22 . 16389 1 635 . 1 1 54 54 VAL HG23 H 1 0.934 0.020 . 2 . . . . 54 VAL HG23 . 16389 1 636 . 1 1 54 54 VAL CA C 13 65.809 0.400 . 1 . . . . 54 VAL CA . 16389 1 637 . 1 1 54 54 VAL CB C 13 32.229 0.400 . 1 . . . . 54 VAL CB . 16389 1 638 . 1 1 54 54 VAL CG1 C 13 22.518 0.400 . 1 . . . . 54 VAL CG1 . 16389 1 639 . 1 1 54 54 VAL CG2 C 13 21.546 0.400 . 1 . . . . 54 VAL CG2 . 16389 1 640 . 1 1 54 54 VAL N N 15 117.890 0.400 . 1 . . . . 54 VAL N . 16389 1 641 . 1 1 55 55 LYS H H 1 7.573 0.020 . 1 . . . . 55 LYS H . 16389 1 642 . 1 1 55 55 LYS HA H 1 4.076 0.020 . 1 . . . . 55 LYS HA . 16389 1 643 . 1 1 55 55 LYS HB2 H 1 1.908 0.020 . 2 . . . . 55 LYS HB2 . 16389 1 644 . 1 1 55 55 LYS HB3 H 1 1.856 0.020 . 2 . . . . 55 LYS HB3 . 16389 1 645 . 1 1 55 55 LYS HD2 H 1 1.643 0.020 . 1 . . . . 55 LYS HD2 . 16389 1 646 . 1 1 55 55 LYS HD3 H 1 1.643 0.020 . 1 . . . . 55 LYS HD3 . 16389 1 647 . 1 1 55 55 LYS HE2 H 1 2.969 0.020 . 1 . . . . 55 LYS HE2 . 16389 1 648 . 1 1 55 55 LYS HG2 H 1 1.503 0.020 . 2 . . . . 55 LYS HG2 . 16389 1 649 . 1 1 55 55 LYS HG3 H 1 1.448 0.020 . 2 . . . . 55 LYS HG3 . 16389 1 650 . 1 1 55 55 LYS CA C 13 58.390 0.400 . 1 . . . . 55 LYS CA . 16389 1 651 . 1 1 55 55 LYS CB C 13 32.890 0.400 . 1 . . . . 55 LYS CB . 16389 1 652 . 1 1 55 55 LYS CD C 13 29.167 0.400 . 1 . . . . 55 LYS CD . 16389 1 653 . 1 1 55 55 LYS CE C 13 42.457 0.400 . 1 . . . . 55 LYS CE . 16389 1 654 . 1 1 55 55 LYS CG C 13 25.264 0.400 . 1 . . . . 55 LYS CG . 16389 1 655 . 1 1 55 55 LYS N N 15 120.590 0.400 . 1 . . . . 55 LYS N . 16389 1 656 . 1 1 56 56 GLU H H 1 7.686 0.020 . 1 . . . . 56 GLU H . 16389 1 657 . 1 1 56 56 GLU HA H 1 3.908 0.020 . 1 . . . . 56 GLU HA . 16389 1 658 . 1 1 56 56 GLU HB2 H 1 1.958 0.020 . 2 . . . . 56 GLU HB2 . 16389 1 659 . 1 1 56 56 GLU HB3 H 1 1.892 0.020 . 2 . . . . 56 GLU HB3 . 16389 1 660 . 1 1 56 56 GLU HG2 H 1 2.156 0.020 . 1 . . . . 56 GLU HG2 . 16389 1 661 . 1 1 56 56 GLU HG3 H 1 2.156 0.020 . 1 . . . . 56 GLU HG3 . 16389 1 662 . 1 1 56 56 GLU CA C 13 56.904 0.400 . 1 . . . . 56 GLU CA . 16389 1 663 . 1 1 56 56 GLU CB C 13 30.098 0.400 . 1 . . . . 56 GLU CB . 16389 1 664 . 1 1 56 56 GLU CG C 13 36.575 0.400 . 1 . . . . 56 GLU CG . 16389 1 665 . 1 1 56 56 GLU N N 15 116.772 0.400 . 1 . . . . 56 GLU N . 16389 1 666 . 1 1 57 57 ASN H H 1 7.826 0.020 . 1 . . . . 57 ASN H . 16389 1 667 . 1 1 57 57 ASN HA H 1 4.335 0.020 . 1 . . . . 57 ASN HA . 16389 1 668 . 1 1 57 57 ASN HB2 H 1 2.972 0.020 . 2 . . . . 57 ASN HB2 . 16389 1 669 . 1 1 57 57 ASN HB3 H 1 2.691 0.020 . 2 . . . . 57 ASN HB3 . 16389 1 670 . 1 1 57 57 ASN HD21 H 1 6.694 0.020 . 2 . . . . 57 ASN HD21 . 16389 1 671 . 1 1 57 57 ASN HD22 H 1 7.372 0.020 . 2 . . . . 57 ASN HD22 . 16389 1 672 . 1 1 57 57 ASN CA C 13 54.255 0.400 . 1 . . . . 57 ASN CA . 16389 1 673 . 1 1 57 57 ASN CB C 13 36.970 0.400 . 1 . . . . 57 ASN CB . 16389 1 674 . 1 1 57 57 ASN N N 15 114.897 0.400 . 1 . . . . 57 ASN N . 16389 1 675 . 1 1 57 57 ASN ND2 N 15 112.555 0.400 . 1 . . . . 57 ASN ND2 . 16389 1 676 . 1 1 58 58 VAL H H 1 7.531 0.020 . 1 . . . . 58 VAL H . 16389 1 677 . 1 1 58 58 VAL HA H 1 3.685 0.020 . 1 . . . . 58 VAL HA . 16389 1 678 . 1 1 58 58 VAL HB H 1 2.025 0.020 . 1 . . . . 58 VAL HB . 16389 1 679 . 1 1 58 58 VAL HG11 H 1 0.704 0.020 . 2 . . . . 58 VAL HG11 . 16389 1 680 . 1 1 58 58 VAL HG12 H 1 0.704 0.020 . 2 . . . . 58 VAL HG12 . 16389 1 681 . 1 1 58 58 VAL HG13 H 1 0.704 0.020 . 2 . . . . 58 VAL HG13 . 16389 1 682 . 1 1 58 58 VAL HG21 H 1 0.774 0.020 . 2 . . . . 58 VAL HG21 . 16389 1 683 . 1 1 58 58 VAL HG22 H 1 0.774 0.020 . 2 . . . . 58 VAL HG22 . 16389 1 684 . 1 1 58 58 VAL HG23 H 1 0.774 0.020 . 2 . . . . 58 VAL HG23 . 16389 1 685 . 1 1 58 58 VAL CA C 13 63.244 0.400 . 1 . . . . 58 VAL CA . 16389 1 686 . 1 1 58 58 VAL CB C 13 32.251 0.400 . 1 . . . . 58 VAL CB . 16389 1 687 . 1 1 58 58 VAL CG1 C 13 21.136 0.400 . 1 . . . . 58 VAL CG1 . 16389 1 688 . 1 1 58 58 VAL CG2 C 13 23.192 0.400 . 1 . . . . 58 VAL CG2 . 16389 1 689 . 1 1 58 58 VAL N N 15 113.320 0.400 . 1 . . . . 58 VAL N . 16389 1 690 . 1 1 59 59 ASN H H 1 8.951 0.020 . 1 . . . . 59 ASN H . 16389 1 691 . 1 1 59 59 ASN HA H 1 4.938 0.020 . 1 . . . . 59 ASN HA . 16389 1 692 . 1 1 59 59 ASN HB2 H 1 3.178 0.020 . 2 . . . . 59 ASN HB2 . 16389 1 693 . 1 1 59 59 ASN HB3 H 1 2.779 0.020 . 2 . . . . 59 ASN HB3 . 16389 1 694 . 1 1 59 59 ASN HD21 H 1 7.876 0.020 . 2 . . . . 59 ASN HD21 . 16389 1 695 . 1 1 59 59 ASN HD22 H 1 6.920 0.020 . 2 . . . . 59 ASN HD22 . 16389 1 696 . 1 1 59 59 ASN CA C 13 55.620 0.400 . 1 . . . . 59 ASN CA . 16389 1 697 . 1 1 59 59 ASN CB C 13 42.099 0.400 . 1 . . . . 59 ASN CB . 16389 1 698 . 1 1 59 59 ASN N N 15 119.195 0.400 . 1 . . . . 59 ASN N . 16389 1 699 . 1 1 59 59 ASN ND2 N 15 110.526 0.400 . 1 . . . . 59 ASN ND2 . 16389 1 700 . 1 1 60 60 ALA H H 1 7.782 0.020 . 1 . . . . 60 ALA H . 16389 1 701 . 1 1 60 60 ALA HA H 1 5.758 0.020 . 1 . . . . 60 ALA HA . 16389 1 702 . 1 1 60 60 ALA HB1 H 1 1.408 0.020 . 1 . . . . 60 ALA HB1 . 16389 1 703 . 1 1 60 60 ALA HB2 H 1 1.408 0.020 . 1 . . . . 60 ALA HB2 . 16389 1 704 . 1 1 60 60 ALA HB3 H 1 1.408 0.020 . 1 . . . . 60 ALA HB3 . 16389 1 705 . 1 1 60 60 ALA CA C 13 51.060 0.400 . 1 . . . . 60 ALA CA . 16389 1 706 . 1 1 60 60 ALA CB C 13 23.326 0.400 . 1 . . . . 60 ALA CB . 16389 1 707 . 1 1 60 60 ALA N N 15 120.420 0.400 . 1 . . . . 60 ALA N . 16389 1 708 . 1 1 61 61 ILE H H 1 8.758 0.020 . 1 . . . . 61 ILE H . 16389 1 709 . 1 1 61 61 ILE HA H 1 5.141 0.020 . 1 . . . . 61 ILE HA . 16389 1 710 . 1 1 61 61 ILE HB H 1 1.291 0.020 . 1 . . . . 61 ILE HB . 16389 1 711 . 1 1 61 61 ILE HD11 H 1 0.133 0.020 . 1 . . . . 61 ILE HD11 . 16389 1 712 . 1 1 61 61 ILE HD12 H 1 0.133 0.020 . 1 . . . . 61 ILE HD12 . 16389 1 713 . 1 1 61 61 ILE HD13 H 1 0.133 0.020 . 1 . . . . 61 ILE HD13 . 16389 1 714 . 1 1 61 61 ILE HG12 H 1 1.369 0.020 . 2 . . . . 61 ILE HG12 . 16389 1 715 . 1 1 61 61 ILE HG13 H 1 0.700 0.020 . 2 . . . . 61 ILE HG13 . 16389 1 716 . 1 1 61 61 ILE HG21 H 1 0.780 0.020 . 1 . . . . 61 ILE HG21 . 16389 1 717 . 1 1 61 61 ILE HG22 H 1 0.780 0.020 . 1 . . . . 61 ILE HG22 . 16389 1 718 . 1 1 61 61 ILE HG23 H 1 0.780 0.020 . 1 . . . . 61 ILE HG23 . 16389 1 719 . 1 1 61 61 ILE CA C 13 59.261 0.400 . 1 . . . . 61 ILE CA . 16389 1 720 . 1 1 61 61 ILE CB C 13 43.620 0.400 . 1 . . . . 61 ILE CB . 16389 1 721 . 1 1 61 61 ILE CD1 C 13 13.908 0.400 . 1 . . . . 61 ILE CD1 . 16389 1 722 . 1 1 61 61 ILE CG1 C 13 29.118 0.400 . 1 . . . . 61 ILE CG1 . 16389 1 723 . 1 1 61 61 ILE CG2 C 13 17.842 0.400 . 1 . . . . 61 ILE CG2 . 16389 1 724 . 1 1 61 61 ILE N N 15 121.459 0.400 . 1 . . . . 61 ILE N . 16389 1 725 . 1 1 62 62 ILE H H 1 8.724 0.020 . 1 . . . . 62 ILE H . 16389 1 726 . 1 1 62 62 ILE HA H 1 4.809 0.020 . 1 . . . . 62 ILE HA . 16389 1 727 . 1 1 62 62 ILE HB H 1 1.429 0.020 . 1 . . . . 62 ILE HB . 16389 1 728 . 1 1 62 62 ILE HD11 H 1 0.212 0.020 . 1 . . . . 62 ILE HD11 . 16389 1 729 . 1 1 62 62 ILE HD12 H 1 0.212 0.020 . 1 . . . . 62 ILE HD12 . 16389 1 730 . 1 1 62 62 ILE HD13 H 1 0.212 0.020 . 1 . . . . 62 ILE HD13 . 16389 1 731 . 1 1 62 62 ILE HG12 H 1 0.539 0.020 . 2 . . . . 62 ILE HG12 . 16389 1 732 . 1 1 62 62 ILE HG13 H 1 1.103 0.020 . 2 . . . . 62 ILE HG13 . 16389 1 733 . 1 1 62 62 ILE HG21 H 1 0.616 0.020 . 1 . . . . 62 ILE HG21 . 16389 1 734 . 1 1 62 62 ILE HG22 H 1 0.616 0.020 . 1 . . . . 62 ILE HG22 . 16389 1 735 . 1 1 62 62 ILE HG23 H 1 0.616 0.020 . 1 . . . . 62 ILE HG23 . 16389 1 736 . 1 1 62 62 ILE CA C 13 60.987 0.400 . 1 . . . . 62 ILE CA . 16389 1 737 . 1 1 62 62 ILE CB C 13 40.620 0.400 . 1 . . . . 62 ILE CB . 16389 1 738 . 1 1 62 62 ILE CD1 C 13 13.490 0.400 . 1 . . . . 62 ILE CD1 . 16389 1 739 . 1 1 62 62 ILE CG1 C 13 26.976 0.400 . 1 . . . . 62 ILE CG1 . 16389 1 740 . 1 1 62 62 ILE CG2 C 13 17.414 0.400 . 1 . . . . 62 ILE CG2 . 16389 1 741 . 1 1 62 62 ILE N N 15 125.685 0.400 . 1 . . . . 62 ILE N . 16389 1 742 . 1 1 63 63 CYS H H 1 8.704 0.020 . 1 . . . . 63 CYS H . 16389 1 743 . 1 1 63 63 CYS HA H 1 4.929 0.020 . 1 . . . . 63 CYS HA . 16389 1 744 . 1 1 63 63 CYS HB2 H 1 3.012 0.020 . 2 . . . . 63 CYS HB2 . 16389 1 745 . 1 1 63 63 CYS HB3 H 1 2.862 0.020 . 2 . . . . 63 CYS HB3 . 16389 1 746 . 1 1 63 63 CYS CA C 13 55.502 0.400 . 1 . . . . 63 CYS CA . 16389 1 747 . 1 1 63 63 CYS CB C 13 30.880 0.400 . 1 . . . . 63 CYS CB . 16389 1 748 . 1 1 63 63 CYS N N 15 117.777 0.400 . 1 . . . . 63 CYS N . 16389 1 749 . 1 1 64 64 LYS H H 1 10.081 0.020 . 1 . . . . 64 LYS H . 16389 1 750 . 1 1 64 64 LYS HA H 1 4.167 0.020 . 1 . . . . 64 LYS HA . 16389 1 751 . 1 1 64 64 LYS HB2 H 1 1.821 0.020 . 1 . . . . 64 LYS HB2 . 16389 1 752 . 1 1 64 64 LYS HB3 H 1 1.821 0.020 . 1 . . . . 64 LYS HB3 . 16389 1 753 . 1 1 64 64 LYS HD2 H 1 1.630 0.020 . 1 . . . . 64 LYS HD2 . 16389 1 754 . 1 1 64 64 LYS HD3 H 1 1.630 0.020 . 1 . . . . 64 LYS HD3 . 16389 1 755 . 1 1 64 64 LYS HE2 H 1 2.750 0.020 . 1 . . . . 64 LYS HE2 . 16389 1 756 . 1 1 64 64 LYS HE3 H 1 2.750 0.020 . 1 . . . . 64 LYS HE3 . 16389 1 757 . 1 1 64 64 LYS HG2 H 1 1.395 0.020 . 2 . . . . 64 LYS HG2 . 16389 1 758 . 1 1 64 64 LYS HG3 H 1 1.216 0.020 . 2 . . . . 64 LYS HG3 . 16389 1 759 . 1 1 64 64 LYS CA C 13 58.900 0.400 . 1 . . . . 64 LYS CA . 16389 1 760 . 1 1 64 64 LYS CB C 13 33.630 0.400 . 1 . . . . 64 LYS CB . 16389 1 761 . 1 1 64 64 LYS CD C 13 29.845 0.400 . 1 . . . . 64 LYS CD . 16389 1 762 . 1 1 64 64 LYS CE C 13 42.174 0.400 . 1 . . . . 64 LYS CE . 16389 1 763 . 1 1 64 64 LYS CG C 13 26.902 0.400 . 1 . . . . 64 LYS CG . 16389 1 764 . 1 1 64 64 LYS N N 15 121.550 0.400 . 1 . . . . 64 LYS N . 16389 1 765 . 1 1 65 65 ASN H H 1 6.944 0.020 . 1 . . . . 65 ASN H . 16389 1 766 . 1 1 65 65 ASN HA H 1 4.894 0.020 . 1 . . . . 65 ASN HA . 16389 1 767 . 1 1 65 65 ASN HB2 H 1 2.740 0.020 . 2 . . . . 65 ASN HB2 . 16389 1 768 . 1 1 65 65 ASN HB3 H 1 2.645 0.020 . 2 . . . . 65 ASN HB3 . 16389 1 769 . 1 1 65 65 ASN HD21 H 1 7.758 0.020 . 2 . . . . 65 ASN HD21 . 16389 1 770 . 1 1 65 65 ASN HD22 H 1 6.870 0.020 . 2 . . . . 65 ASN HD22 . 16389 1 771 . 1 1 65 65 ASN CA C 13 52.825 0.400 . 1 . . . . 65 ASN CA . 16389 1 772 . 1 1 65 65 ASN CB C 13 43.331 0.400 . 1 . . . . 65 ASN CB . 16389 1 773 . 1 1 65 65 ASN N N 15 112.640 0.400 . 1 . . . . 65 ASN N . 16389 1 774 . 1 1 65 65 ASN ND2 N 15 114.423 0.400 . 1 . . . . 65 ASN ND2 . 16389 1 775 . 1 1 66 66 ILE H H 1 8.586 0.020 . 1 . . . . 66 ILE H . 16389 1 776 . 1 1 66 66 ILE HA H 1 5.285 0.020 . 1 . . . . 66 ILE HA . 16389 1 777 . 1 1 66 66 ILE HB H 1 1.995 0.020 . 1 . . . . 66 ILE HB . 16389 1 778 . 1 1 66 66 ILE HD11 H 1 0.076 0.020 . 1 . . . . 66 ILE HD11 . 16389 1 779 . 1 1 66 66 ILE HD12 H 1 0.076 0.020 . 1 . . . . 66 ILE HD12 . 16389 1 780 . 1 1 66 66 ILE HD13 H 1 0.076 0.020 . 1 . . . . 66 ILE HD13 . 16389 1 781 . 1 1 66 66 ILE HG12 H 1 1.717 0.020 . 2 . . . . 66 ILE HG12 . 16389 1 782 . 1 1 66 66 ILE HG13 H 1 1.417 0.020 . 2 . . . . 66 ILE HG13 . 16389 1 783 . 1 1 66 66 ILE HG21 H 1 0.799 0.020 . 1 . . . . 66 ILE HG21 . 16389 1 784 . 1 1 66 66 ILE HG22 H 1 0.799 0.020 . 1 . . . . 66 ILE HG22 . 16389 1 785 . 1 1 66 66 ILE HG23 H 1 0.799 0.020 . 1 . . . . 66 ILE HG23 . 16389 1 786 . 1 1 66 66 ILE CA C 13 60.315 0.400 . 1 . . . . 66 ILE CA . 16389 1 787 . 1 1 66 66 ILE CB C 13 41.538 0.400 . 1 . . . . 66 ILE CB . 16389 1 788 . 1 1 66 66 ILE CD1 C 13 13.488 0.400 . 1 . . . . 66 ILE CD1 . 16389 1 789 . 1 1 66 66 ILE CG1 C 13 29.332 0.400 . 1 . . . . 66 ILE CG1 . 16389 1 790 . 1 1 66 66 ILE CG2 C 13 15.495 0.400 . 1 . . . . 66 ILE CG2 . 16389 1 791 . 1 1 66 66 ILE N N 15 122.263 0.400 . 1 . . . . 66 ILE N . 16389 1 792 . 1 1 67 67 SER H H 1 10.570 0.020 . 1 . . . . 67 SER H . 16389 1 793 . 1 1 67 67 SER HA H 1 4.388 0.020 . 1 . . . . 67 SER HA . 16389 1 794 . 1 1 67 67 SER HB2 H 1 3.911 0.020 . 2 . . . . 67 SER HB2 . 16389 1 795 . 1 1 67 67 SER HB3 H 1 4.302 0.020 . 2 . . . . 67 SER HB3 . 16389 1 796 . 1 1 67 67 SER CA C 13 58.346 0.400 . 1 . . . . 67 SER CA . 16389 1 797 . 1 1 67 67 SER CB C 13 65.507 0.400 . 1 . . . . 67 SER CB . 16389 1 798 . 1 1 67 67 SER N N 15 126.043 0.400 . 1 . . . . 67 SER N . 16389 1 799 . 1 1 68 68 GLU H H 1 8.952 0.020 . 1 . . . . 68 GLU H . 16389 1 800 . 1 1 68 68 GLU HA H 1 3.920 0.020 . 1 . . . . 68 GLU HA . 16389 1 801 . 1 1 68 68 GLU HB2 H 1 2.075 0.020 . 2 . . . . 68 GLU HB2 . 16389 1 802 . 1 1 68 68 GLU HB3 H 1 1.984 0.020 . 2 . . . . 68 GLU HB3 . 16389 1 803 . 1 1 68 68 GLU HG2 H 1 2.174 0.020 . 2 . . . . 68 GLU HG2 . 16389 1 804 . 1 1 68 68 GLU HG3 H 1 2.295 0.020 . 2 . . . . 68 GLU HG3 . 16389 1 805 . 1 1 68 68 GLU CA C 13 60.501 0.400 . 1 . . . . 68 GLU CA . 16389 1 806 . 1 1 68 68 GLU CB C 13 29.734 0.400 . 1 . . . . 68 GLU CB . 16389 1 807 . 1 1 68 68 GLU CG C 13 36.549 0.400 . 1 . . . . 68 GLU CG . 16389 1 808 . 1 1 68 68 GLU N N 15 122.929 0.400 . 1 . . . . 68 GLU N . 16389 1 809 . 1 1 69 69 GLU H H 1 8.552 0.020 . 1 . . . . 69 GLU H . 16389 1 810 . 1 1 69 69 GLU HA H 1 3.920 0.020 . 1 . . . . 69 GLU HA . 16389 1 811 . 1 1 69 69 GLU HB2 H 1 2.011 0.020 . 2 . . . . 69 GLU HB2 . 16389 1 812 . 1 1 69 69 GLU HB3 H 1 1.811 0.020 . 2 . . . . 69 GLU HB3 . 16389 1 813 . 1 1 69 69 GLU HG2 H 1 2.282 0.020 . 2 . . . . 69 GLU HG2 . 16389 1 814 . 1 1 69 69 GLU HG3 H 1 2.164 0.020 . 2 . . . . 69 GLU HG3 . 16389 1 815 . 1 1 69 69 GLU CA C 13 59.997 0.400 . 1 . . . . 69 GLU CA . 16389 1 816 . 1 1 69 69 GLU CB C 13 29.875 0.400 . 1 . . . . 69 GLU CB . 16389 1 817 . 1 1 69 69 GLU CG C 13 36.600 0.400 . 1 . . . . 69 GLU CG . 16389 1 818 . 1 1 69 69 GLU N N 15 117.473 0.400 . 1 . . . . 69 GLU N . 16389 1 819 . 1 1 70 70 ASN H H 1 7.684 0.020 . 1 . . . . 70 ASN H . 16389 1 820 . 1 1 70 70 ASN HA H 1 4.677 0.020 . 1 . . . . 70 ASN HA . 16389 1 821 . 1 1 70 70 ASN HB2 H 1 2.841 0.020 . 2 . . . . 70 ASN HB2 . 16389 1 822 . 1 1 70 70 ASN HB3 H 1 2.175 0.020 . 2 . . . . 70 ASN HB3 . 16389 1 823 . 1 1 70 70 ASN HD21 H 1 10.058 0.020 . 2 . . . . 70 ASN HD21 . 16389 1 824 . 1 1 70 70 ASN HD22 H 1 7.531 0.020 . 2 . . . . 70 ASN HD22 . 16389 1 825 . 1 1 70 70 ASN CA C 13 55.690 0.400 . 1 . . . . 70 ASN CA . 16389 1 826 . 1 1 70 70 ASN CB C 13 37.788 0.400 . 1 . . . . 70 ASN CB . 16389 1 827 . 1 1 70 70 ASN N N 15 116.860 0.400 . 1 . . . . 70 ASN N . 16389 1 828 . 1 1 70 70 ASN ND2 N 15 118.137 0.400 . 1 . . . . 70 ASN ND2 . 16389 1 829 . 1 1 71 71 TYR H H 1 9.219 0.020 . 1 . . . . 71 TYR H . 16389 1 830 . 1 1 71 71 TYR HA H 1 3.631 0.020 . 1 . . . . 71 TYR HA . 16389 1 831 . 1 1 71 71 TYR HB2 H 1 2.866 0.020 . 2 . . . . 71 TYR HB2 . 16389 1 832 . 1 1 71 71 TYR HB3 H 1 3.101 0.020 . 2 . . . . 71 TYR HB3 . 16389 1 833 . 1 1 71 71 TYR HD1 H 1 6.715 0.020 . 1 . . . . 71 TYR HD1 . 16389 1 834 . 1 1 71 71 TYR HD2 H 1 6.715 0.020 . 1 . . . . 71 TYR HD2 . 16389 1 835 . 1 1 71 71 TYR HE1 H 1 6.688 0.020 . 1 . . . . 71 TYR HE1 . 16389 1 836 . 1 1 71 71 TYR HE2 H 1 6.688 0.020 . 1 . . . . 71 TYR HE2 . 16389 1 837 . 1 1 71 71 TYR CA C 13 63.266 0.400 . 1 . . . . 71 TYR CA . 16389 1 838 . 1 1 71 71 TYR CB C 13 38.882 0.400 . 1 . . . . 71 TYR CB . 16389 1 839 . 1 1 71 71 TYR CD1 C 13 132.500 0.400 . 1 . . . . 71 TYR CD1 . 16389 1 840 . 1 1 71 71 TYR CE1 C 13 118.853 0.400 . 1 . . . . 71 TYR CE1 . 16389 1 841 . 1 1 71 71 TYR N N 15 123.698 0.400 . 1 . . . . 71 TYR N . 16389 1 842 . 1 1 72 72 LYS H H 1 8.497 0.020 . 1 . . . . 72 LYS H . 16389 1 843 . 1 1 72 72 LYS HA H 1 3.745 0.020 . 1 . . . . 72 LYS HA . 16389 1 844 . 1 1 72 72 LYS HB2 H 1 1.797 0.020 . 2 . . . . 72 LYS HB2 . 16389 1 845 . 1 1 72 72 LYS HB3 H 1 1.867 0.020 . 2 . . . . 72 LYS HB3 . 16389 1 846 . 1 1 72 72 LYS HD2 H 1 1.653 0.020 . 1 . . . . 72 LYS HD2 . 16389 1 847 . 1 1 72 72 LYS HD3 H 1 1.653 0.020 . 1 . . . . 72 LYS HD3 . 16389 1 848 . 1 1 72 72 LYS HE2 H 1 2.923 0.020 . 1 . . . . 72 LYS HE2 . 16389 1 849 . 1 1 72 72 LYS HE3 H 1 2.923 0.020 . 1 . . . . 72 LYS HE3 . 16389 1 850 . 1 1 72 72 LYS HG2 H 1 1.709 0.020 . 2 . . . . 72 LYS HG2 . 16389 1 851 . 1 1 72 72 LYS HG3 H 1 1.473 0.020 . 2 . . . . 72 LYS HG3 . 16389 1 852 . 1 1 72 72 LYS CA C 13 59.840 0.400 . 1 . . . . 72 LYS CA . 16389 1 853 . 1 1 72 72 LYS CB C 13 32.760 0.400 . 1 . . . . 72 LYS CB . 16389 1 854 . 1 1 72 72 LYS CD C 13 29.448 0.400 . 1 . . . . 72 LYS CD . 16389 1 855 . 1 1 72 72 LYS CE C 13 42.457 0.400 . 1 . . . . 72 LYS CE . 16389 1 856 . 1 1 72 72 LYS CG C 13 26.288 0.400 . 1 . . . . 72 LYS CG . 16389 1 857 . 1 1 72 72 LYS N N 15 119.540 0.400 . 1 . . . . 72 LYS N . 16389 1 858 . 1 1 73 73 LYS H H 1 7.268 0.020 . 1 . . . . 73 LYS H . 16389 1 859 . 1 1 73 73 LYS HA H 1 3.878 0.020 . 1 . . . . 73 LYS HA . 16389 1 860 . 1 1 73 73 LYS HB2 H 1 1.613 0.020 . 2 . . . . 73 LYS HB2 . 16389 1 861 . 1 1 73 73 LYS HB3 H 1 1.412 0.020 . 2 . . . . 73 LYS HB3 . 16389 1 862 . 1 1 73 73 LYS HD2 H 1 1.533 0.020 . 2 . . . . 73 LYS HD2 . 16389 1 863 . 1 1 73 73 LYS HD3 H 1 1.408 0.020 . 2 . . . . 73 LYS HD3 . 16389 1 864 . 1 1 73 73 LYS HE2 H 1 2.759 0.020 . 2 . . . . 73 LYS HE2 . 16389 1 865 . 1 1 73 73 LYS HE3 H 1 2.914 0.020 . 2 . . . . 73 LYS HE3 . 16389 1 866 . 1 1 73 73 LYS HG2 H 1 1.178 0.020 . 2 . . . . 73 LYS HG2 . 16389 1 867 . 1 1 73 73 LYS HG3 H 1 0.757 0.020 . 2 . . . . 73 LYS HG3 . 16389 1 868 . 1 1 73 73 LYS CA C 13 59.000 0.400 . 1 . . . . 73 LYS CA . 16389 1 869 . 1 1 73 73 LYS CB C 13 33.460 0.400 . 1 . . . . 73 LYS CB . 16389 1 870 . 1 1 73 73 LYS CD C 13 29.842 0.400 . 1 . . . . 73 LYS CD . 16389 1 871 . 1 1 73 73 LYS CE C 13 42.121 0.400 . 1 . . . . 73 LYS CE . 16389 1 872 . 1 1 73 73 LYS CG C 13 24.880 0.400 . 1 . . . . 73 LYS CG . 16389 1 873 . 1 1 73 73 LYS N N 15 117.250 0.400 . 1 . . . . 73 LYS N . 16389 1 874 . 1 1 74 74 PHE H H 1 7.855 0.020 . 1 . . . . 74 PHE H . 16389 1 875 . 1 1 74 74 PHE HA H 1 4.345 0.020 . 1 . . . . 74 PHE HA . 16389 1 876 . 1 1 74 74 PHE HB2 H 1 2.784 0.020 . 2 . . . . 74 PHE HB2 . 16389 1 877 . 1 1 74 74 PHE HB3 H 1 2.443 0.020 . 2 . . . . 74 PHE HB3 . 16389 1 878 . 1 1 74 74 PHE HD1 H 1 7.026 0.020 . 1 . . . . 74 PHE HD1 . 16389 1 879 . 1 1 74 74 PHE HD2 H 1 7.026 0.020 . 1 . . . . 74 PHE HD2 . 16389 1 880 . 1 1 74 74 PHE HE1 H 1 7.050 0.020 . 1 . . . . 74 PHE HE1 . 16389 1 881 . 1 1 74 74 PHE HE2 H 1 7.050 0.020 . 1 . . . . 74 PHE HE2 . 16389 1 882 . 1 1 74 74 PHE HZ H 1 7.099 0.020 . 1 . . . . 74 PHE HZ . 16389 1 883 . 1 1 74 74 PHE CA C 13 60.326 0.400 . 1 . . . . 74 PHE CA . 16389 1 884 . 1 1 74 74 PHE CB C 13 39.840 0.400 . 1 . . . . 74 PHE CB . 16389 1 885 . 1 1 74 74 PHE CD1 C 13 131.109 0.400 . 1 . . . . 74 PHE CD1 . 16389 1 886 . 1 1 74 74 PHE CE1 C 13 131.068 0.400 . 1 . . . . 74 PHE CE1 . 16389 1 887 . 1 1 74 74 PHE CZ C 13 129.024 0.400 . 1 . . . . 74 PHE CZ . 16389 1 888 . 1 1 74 74 PHE N N 15 114.327 0.400 . 1 . . . . 74 PHE N . 16389 1 889 . 1 1 75 75 SER H H 1 8.009 0.020 . 1 . . . . 75 SER H . 16389 1 890 . 1 1 75 75 SER HA H 1 4.470 0.020 . 1 . . . . 75 SER HA . 16389 1 891 . 1 1 75 75 SER HB2 H 1 3.608 0.020 . 2 . . . . 75 SER HB2 . 16389 1 892 . 1 1 75 75 SER HB3 H 1 3.003 0.020 . 2 . . . . 75 SER HB3 . 16389 1 893 . 1 1 75 75 SER CA C 13 61.010 0.400 . 1 . . . . 75 SER CA . 16389 1 894 . 1 1 75 75 SER CB C 13 63.280 0.400 . 1 . . . . 75 SER CB . 16389 1 895 . 1 1 75 75 SER N N 15 113.220 0.400 . 1 . . . . 75 SER N . 16389 1 896 . 1 1 76 76 LYS H H 1 7.313 0.020 . 1 . . . . 76 LYS H . 16389 1 897 . 1 1 76 76 LYS HA H 1 4.060 0.020 . 1 . . . . 76 LYS HA . 16389 1 898 . 1 1 76 76 LYS HB2 H 1 1.797 0.020 . 1 . . . . 76 LYS HB2 . 16389 1 899 . 1 1 76 76 LYS HB3 H 1 1.797 0.020 . 1 . . . . 76 LYS HB3 . 16389 1 900 . 1 1 76 76 LYS HD2 H 1 1.644 0.020 . 1 . . . . 76 LYS HD2 . 16389 1 901 . 1 1 76 76 LYS HD3 H 1 1.644 0.020 . 1 . . . . 76 LYS HD3 . 16389 1 902 . 1 1 76 76 LYS HE2 H 1 2.970 0.020 . 1 . . . . 76 LYS HE2 . 16389 1 903 . 1 1 76 76 LYS HE3 H 1 2.970 0.020 . 1 . . . . 76 LYS HE3 . 16389 1 904 . 1 1 76 76 LYS HG2 H 1 1.478 0.020 . 2 . . . . 76 LYS HG2 . 16389 1 905 . 1 1 76 76 LYS HG3 H 1 1.388 0.020 . 2 . . . . 76 LYS HG3 . 16389 1 906 . 1 1 76 76 LYS CA C 13 58.580 0.400 . 1 . . . . 76 LYS CA . 16389 1 907 . 1 1 76 76 LYS CB C 13 32.200 0.400 . 1 . . . . 76 LYS CB . 16389 1 908 . 1 1 76 76 LYS CD C 13 29.448 0.400 . 1 . . . . 76 LYS CD . 16389 1 909 . 1 1 76 76 LYS CE C 13 42.418 0.400 . 1 . . . . 76 LYS CE . 16389 1 910 . 1 1 76 76 LYS CG C 13 25.218 0.400 . 1 . . . . 76 LYS CG . 16389 1 911 . 1 1 76 76 LYS N N 15 119.730 0.400 . 1 . . . . 76 LYS N . 16389 1 912 . 1 1 77 77 LYS H H 1 7.630 0.020 . 1 . . . . 77 LYS H . 16389 1 913 . 1 1 77 77 LYS HA H 1 4.493 0.020 . 1 . . . . 77 LYS HA . 16389 1 914 . 1 1 77 77 LYS HB2 H 1 1.706 0.020 . 2 . . . . 77 LYS HB2 . 16389 1 915 . 1 1 77 77 LYS HB3 H 1 1.944 0.020 . 2 . . . . 77 LYS HB3 . 16389 1 916 . 1 1 77 77 LYS HD2 H 1 1.665 0.020 . 1 . . . . 77 LYS HD2 . 16389 1 917 . 1 1 77 77 LYS HD3 H 1 1.665 0.020 . 1 . . . . 77 LYS HD3 . 16389 1 918 . 1 1 77 77 LYS HE2 H 1 2.957 0.020 . 1 . . . . 77 LYS HE2 . 16389 1 919 . 1 1 77 77 LYS HE3 H 1 2.957 0.020 . 1 . . . . 77 LYS HE3 . 16389 1 920 . 1 1 77 77 LYS HG2 H 1 1.392 0.020 . 2 . . . . 77 LYS HG2 . 16389 1 921 . 1 1 77 77 LYS HG3 H 1 1.350 0.020 . 2 . . . . 77 LYS HG3 . 16389 1 922 . 1 1 77 77 LYS CA C 13 56.432 0.400 . 1 . . . . 77 LYS CA . 16389 1 923 . 1 1 77 77 LYS CB C 13 35.570 0.400 . 1 . . . . 77 LYS CB . 16389 1 924 . 1 1 77 77 LYS CD C 13 29.120 0.400 . 1 . . . . 77 LYS CD . 16389 1 925 . 1 1 77 77 LYS CE C 13 42.418 0.400 . 1 . . . . 77 LYS CE . 16389 1 926 . 1 1 77 77 LYS CG C 13 25.217 0.400 . 1 . . . . 77 LYS CG . 16389 1 927 . 1 1 77 77 LYS N N 15 114.926 0.400 . 1 . . . . 77 LYS N . 16389 1 928 . 1 1 78 78 ILE H H 1 7.840 0.020 . 1 . . . . 78 ILE H . 16389 1 929 . 1 1 78 78 ILE HA H 1 4.050 0.020 . 1 . . . . 78 ILE HA . 16389 1 930 . 1 1 78 78 ILE HB H 1 1.534 0.020 . 1 . . . . 78 ILE HB . 16389 1 931 . 1 1 78 78 ILE HD11 H 1 0.603 0.020 . 1 . . . . 78 ILE HD11 . 16389 1 932 . 1 1 78 78 ILE HD12 H 1 0.603 0.020 . 1 . . . . 78 ILE HD12 . 16389 1 933 . 1 1 78 78 ILE HD13 H 1 0.603 0.020 . 1 . . . . 78 ILE HD13 . 16389 1 934 . 1 1 78 78 ILE HG12 H 1 1.397 0.020 . 2 . . . . 78 ILE HG12 . 16389 1 935 . 1 1 78 78 ILE HG13 H 1 0.997 0.020 . 2 . . . . 78 ILE HG13 . 16389 1 936 . 1 1 78 78 ILE HG21 H 1 0.496 0.020 . 1 . . . . 78 ILE HG21 . 16389 1 937 . 1 1 78 78 ILE HG22 H 1 0.496 0.020 . 1 . . . . 78 ILE HG22 . 16389 1 938 . 1 1 78 78 ILE HG23 H 1 0.496 0.020 . 1 . . . . 78 ILE HG23 . 16389 1 939 . 1 1 78 78 ILE CA C 13 61.124 0.400 . 1 . . . . 78 ILE CA . 16389 1 940 . 1 1 78 78 ILE CB C 13 41.460 0.400 . 1 . . . . 78 ILE CB . 16389 1 941 . 1 1 78 78 ILE CD1 C 13 14.605 0.400 . 1 . . . . 78 ILE CD1 . 16389 1 942 . 1 1 78 78 ILE CG1 C 13 27.477 0.400 . 1 . . . . 78 ILE CG1 . 16389 1 943 . 1 1 78 78 ILE CG2 C 13 17.935 0.400 . 1 . . . . 78 ILE CG2 . 16389 1 944 . 1 1 78 78 ILE N N 15 120.922 0.400 . 1 . . . . 78 ILE N . 16389 1 945 . 1 1 79 79 GLU H H 1 7.399 0.020 . 1 . . . . 79 GLU H . 16389 1 946 . 1 1 79 79 GLU HA H 1 4.283 0.020 . 1 . . . . 79 GLU HA . 16389 1 947 . 1 1 79 79 GLU HB2 H 1 1.802 0.020 . 2 . . . . 79 GLU HB2 . 16389 1 948 . 1 1 79 79 GLU HB3 H 1 2.168 0.020 . 2 . . . . 79 GLU HB3 . 16389 1 949 . 1 1 79 79 GLU HG2 H 1 2.208 0.020 . 2 . . . . 79 GLU HG2 . 16389 1 950 . 1 1 79 79 GLU HG3 H 1 2.475 0.020 . 2 . . . . 79 GLU HG3 . 16389 1 951 . 1 1 79 79 GLU CA C 13 56.446 0.400 . 1 . . . . 79 GLU CA . 16389 1 952 . 1 1 79 79 GLU CB C 13 32.987 0.400 . 1 . . . . 79 GLU CB . 16389 1 953 . 1 1 79 79 GLU CG C 13 37.106 0.400 . 1 . . . . 79 GLU CG . 16389 1 954 . 1 1 79 79 GLU N N 15 123.733 0.400 . 1 . . . . 79 GLU N . 16389 1 955 . 1 1 80 80 ILE H H 1 8.476 0.020 . 1 . . . . 80 ILE H . 16389 1 956 . 1 1 80 80 ILE HA H 1 4.609 0.020 . 1 . . . . 80 ILE HA . 16389 1 957 . 1 1 80 80 ILE HB H 1 1.733 0.020 . 1 . . . . 80 ILE HB . 16389 1 958 . 1 1 80 80 ILE HD11 H 1 0.419 0.020 . 1 . . . . 80 ILE HD11 . 16389 1 959 . 1 1 80 80 ILE HD12 H 1 0.419 0.020 . 1 . . . . 80 ILE HD12 . 16389 1 960 . 1 1 80 80 ILE HD13 H 1 0.419 0.020 . 1 . . . . 80 ILE HD13 . 16389 1 961 . 1 1 80 80 ILE HG12 H 1 1.399 0.020 . 2 . . . . 80 ILE HG12 . 16389 1 962 . 1 1 80 80 ILE HG13 H 1 0.676 0.020 . 2 . . . . 80 ILE HG13 . 16389 1 963 . 1 1 80 80 ILE HG21 H 1 0.669 0.020 . 1 . . . . 80 ILE HG21 . 16389 1 964 . 1 1 80 80 ILE HG22 H 1 0.669 0.020 . 1 . . . . 80 ILE HG22 . 16389 1 965 . 1 1 80 80 ILE HG23 H 1 0.669 0.020 . 1 . . . . 80 ILE HG23 . 16389 1 966 . 1 1 80 80 ILE CA C 13 60.890 0.400 . 1 . . . . 80 ILE CA . 16389 1 967 . 1 1 80 80 ILE CB C 13 38.492 0.400 . 1 . . . . 80 ILE CB . 16389 1 968 . 1 1 80 80 ILE CD1 C 13 13.867 0.400 . 1 . . . . 80 ILE CD1 . 16389 1 969 . 1 1 80 80 ILE CG1 C 13 27.694 0.400 . 1 . . . . 80 ILE CG1 . 16389 1 970 . 1 1 80 80 ILE CG2 C 13 19.333 0.400 . 1 . . . . 80 ILE CG2 . 16389 1 971 . 1 1 80 80 ILE N N 15 123.480 0.400 . 1 . . . . 80 ILE N . 16389 1 972 . 1 1 81 81 TYR H H 1 9.545 0.020 . 1 . . . . 81 TYR H . 16389 1 973 . 1 1 81 81 TYR HA H 1 4.825 0.020 . 1 . . . . 81 TYR HA . 16389 1 974 . 1 1 81 81 TYR HB2 H 1 2.808 0.020 . 2 . . . . 81 TYR HB2 . 16389 1 975 . 1 1 81 81 TYR HB3 H 1 2.745 0.020 . 2 . . . . 81 TYR HB3 . 16389 1 976 . 1 1 81 81 TYR HD1 H 1 6.858 0.020 . 1 . . . . 81 TYR HD1 . 16389 1 977 . 1 1 81 81 TYR HD2 H 1 6.858 0.020 . 1 . . . . 81 TYR HD2 . 16389 1 978 . 1 1 81 81 TYR HE1 H 1 6.796 0.020 . 1 . . . . 81 TYR HE1 . 16389 1 979 . 1 1 81 81 TYR HE2 H 1 6.796 0.020 . 1 . . . . 81 TYR HE2 . 16389 1 980 . 1 1 81 81 TYR CA C 13 58.140 0.400 . 1 . . . . 81 TYR CA . 16389 1 981 . 1 1 81 81 TYR CB C 13 42.180 0.400 . 1 . . . . 81 TYR CB . 16389 1 982 . 1 1 81 81 TYR CD1 C 13 133.125 0.400 . 1 . . . . 81 TYR CD1 . 16389 1 983 . 1 1 81 81 TYR CE1 C 13 118.729 0.400 . 1 . . . . 81 TYR CE1 . 16389 1 984 . 1 1 81 81 TYR N N 15 126.332 0.400 . 1 . . . . 81 TYR N . 16389 1 985 . 1 1 82 82 HIS H H 1 8.925 0.020 . 1 . . . . 82 HIS H . 16389 1 986 . 1 1 82 82 HIS HA H 1 5.172 0.020 . 1 . . . . 82 HIS HA . 16389 1 987 . 1 1 82 82 HIS HB2 H 1 2.836 0.020 . 2 . . . . 82 HIS HB2 . 16389 1 988 . 1 1 82 82 HIS HB3 H 1 3.287 0.020 . 2 . . . . 82 HIS HB3 . 16389 1 989 . 1 1 82 82 HIS HD2 H 1 7.360 0.020 . 1 . . . . 82 HIS HD2 . 16389 1 990 . 1 1 82 82 HIS HE1 H 1 8.537 0.020 . 1 . . . . 82 HIS HE1 . 16389 1 991 . 1 1 82 82 HIS CA C 13 54.575 0.400 . 1 . . . . 82 HIS CA . 16389 1 992 . 1 1 82 82 HIS CB C 13 30.002 0.400 . 1 . . . . 82 HIS CB . 16389 1 993 . 1 1 82 82 HIS CD2 C 13 120.766 0.400 . 1 . . . . 82 HIS CD2 . 16389 1 994 . 1 1 82 82 HIS CE1 C 13 136.746 0.400 . 1 . . . . 82 HIS CE1 . 16389 1 995 . 1 1 82 82 HIS N N 15 119.500 0.400 . 1 . . . . 82 HIS N . 16389 1 996 . 1 1 83 83 ALA H H 1 7.826 0.020 . 1 . . . . 83 ALA H . 16389 1 997 . 1 1 83 83 ALA HA H 1 4.103 0.020 . 1 . . . . 83 ALA HA . 16389 1 998 . 1 1 83 83 ALA HB1 H 1 0.916 0.020 . 1 . . . . 83 ALA HB1 . 16389 1 999 . 1 1 83 83 ALA HB2 H 1 0.916 0.020 . 1 . . . . 83 ALA HB2 . 16389 1 1000 . 1 1 83 83 ALA HB3 H 1 0.916 0.020 . 1 . . . . 83 ALA HB3 . 16389 1 1001 . 1 1 83 83 ALA CA C 13 52.204 0.400 . 1 . . . . 83 ALA CA . 16389 1 1002 . 1 1 83 83 ALA CB C 13 20.045 0.400 . 1 . . . . 83 ALA CB . 16389 1 1003 . 1 1 83 83 ALA N N 15 129.263 0.400 . 1 . . . . 83 ALA N . 16389 1 1004 . 1 1 84 84 GLU H H 1 9.505 0.020 . 1 . . . . 84 GLU H . 16389 1 1005 . 1 1 84 84 GLU HA H 1 4.436 0.020 . 1 . . . . 84 GLU HA . 16389 1 1006 . 1 1 84 84 GLU HB2 H 1 1.811 0.020 . 2 . . . . 84 GLU HB2 . 16389 1 1007 . 1 1 84 84 GLU HB3 H 1 1.619 0.020 . 2 . . . . 84 GLU HB3 . 16389 1 1008 . 1 1 84 84 GLU HG2 H 1 2.142 0.020 . 2 . . . . 84 GLU HG2 . 16389 1 1009 . 1 1 84 84 GLU HG3 H 1 2.191 0.020 . 2 . . . . 84 GLU HG3 . 16389 1 1010 . 1 1 84 84 GLU CA C 13 54.453 0.400 . 1 . . . . 84 GLU CA . 16389 1 1011 . 1 1 84 84 GLU CB C 13 30.069 0.400 . 1 . . . . 84 GLU CB . 16389 1 1012 . 1 1 84 84 GLU CG C 13 35.573 0.400 . 1 . . . . 84 GLU CG . 16389 1 1013 . 1 1 84 84 GLU N N 15 123.774 0.400 . 1 . . . . 84 GLU N . 16389 1 1014 . 1 1 85 85 GLY H H 1 8.259 0.020 . 1 . . . . 85 GLY H . 16389 1 1015 . 1 1 85 85 GLY HA2 H 1 4.041 0.020 . 2 . . . . 85 GLY HA2 . 16389 1 1016 . 1 1 85 85 GLY HA3 H 1 3.620 0.020 . 2 . . . . 85 GLY HA3 . 16389 1 1017 . 1 1 85 85 GLY CA C 13 45.638 0.400 . 1 . . . . 85 GLY CA . 16389 1 1018 . 1 1 85 85 GLY N N 15 114.727 0.400 . 1 . . . . 85 GLY N . 16389 1 1019 . 1 1 86 86 ASP H H 1 7.771 0.020 . 1 . . . . 86 ASP H . 16389 1 1020 . 1 1 86 86 ASP HA H 1 4.562 0.020 . 1 . . . . 86 ASP HA . 16389 1 1021 . 1 1 86 86 ASP HB2 H 1 2.771 0.020 . 2 . . . . 86 ASP HB2 . 16389 1 1022 . 1 1 86 86 ASP HB3 H 1 2.514 0.020 . 2 . . . . 86 ASP HB3 . 16389 1 1023 . 1 1 86 86 ASP CA C 13 54.090 0.400 . 1 . . . . 86 ASP CA . 16389 1 1024 . 1 1 86 86 ASP CB C 13 42.920 0.400 . 1 . . . . 86 ASP CB . 16389 1 1025 . 1 1 86 86 ASP N N 15 115.615 0.400 . 1 . . . . 86 ASP N . 16389 1 1026 . 1 1 87 87 ASP H H 1 8.030 0.020 . 1 . . . . 87 ASP H . 16389 1 1027 . 1 1 87 87 ASP HA H 1 4.838 0.020 . 1 . . . . 87 ASP HA . 16389 1 1028 . 1 1 87 87 ASP HB2 H 1 2.976 0.020 . 2 . . . . 87 ASP HB2 . 16389 1 1029 . 1 1 87 87 ASP HB3 H 1 2.563 0.020 . 2 . . . . 87 ASP HB3 . 16389 1 1030 . 1 1 87 87 ASP CA C 13 54.369 0.400 . 1 . . . . 87 ASP CA . 16389 1 1031 . 1 1 87 87 ASP CB C 13 43.210 0.400 . 1 . . . . 87 ASP CB . 16389 1 1032 . 1 1 87 87 ASP N N 15 119.330 0.400 . 1 . . . . 87 ASP N . 16389 1 1033 . 1 1 88 88 VAL H H 1 9.182 0.020 . 1 . . . . 88 VAL H . 16389 1 1034 . 1 1 88 88 VAL HA H 1 3.555 0.020 . 1 . . . . 88 VAL HA . 16389 1 1035 . 1 1 88 88 VAL HB H 1 1.927 0.020 . 1 . . . . 88 VAL HB . 16389 1 1036 . 1 1 88 88 VAL HG11 H 1 0.869 0.020 . 2 . . . . 88 VAL HG11 . 16389 1 1037 . 1 1 88 88 VAL HG12 H 1 0.869 0.020 . 2 . . . . 88 VAL HG12 . 16389 1 1038 . 1 1 88 88 VAL HG13 H 1 0.869 0.020 . 2 . . . . 88 VAL HG13 . 16389 1 1039 . 1 1 88 88 VAL HG21 H 1 0.972 0.020 . 2 . . . . 88 VAL HG21 . 16389 1 1040 . 1 1 88 88 VAL HG22 H 1 0.972 0.020 . 2 . . . . 88 VAL HG22 . 16389 1 1041 . 1 1 88 88 VAL HG23 H 1 0.972 0.020 . 2 . . . . 88 VAL HG23 . 16389 1 1042 . 1 1 88 88 VAL CA C 13 67.541 0.400 . 1 . . . . 88 VAL CA . 16389 1 1043 . 1 1 88 88 VAL CB C 13 32.357 0.400 . 1 . . . . 88 VAL CB . 16389 1 1044 . 1 1 88 88 VAL CG1 C 13 20.238 0.400 . 1 . . . . 88 VAL CG1 . 16389 1 1045 . 1 1 88 88 VAL CG2 C 13 24.586 0.400 . 1 . . . . 88 VAL CG2 . 16389 1 1046 . 1 1 88 88 VAL N N 15 131.010 0.400 . 1 . . . . 88 VAL N . 16389 1 1047 . 1 1 89 89 ASP H H 1 7.896 0.020 . 1 . . . . 89 ASP H . 16389 1 1048 . 1 1 89 89 ASP HA H 1 4.256 0.020 . 1 . . . . 89 ASP HA . 16389 1 1049 . 1 1 89 89 ASP HB2 H 1 2.601 0.020 . 2 . . . . 89 ASP HB2 . 16389 1 1050 . 1 1 89 89 ASP HB3 H 1 2.703 0.020 . 2 . . . . 89 ASP HB3 . 16389 1 1051 . 1 1 89 89 ASP CA C 13 58.417 0.400 . 1 . . . . 89 ASP CA . 16389 1 1052 . 1 1 89 89 ASP CB C 13 40.511 0.400 . 1 . . . . 89 ASP CB . 16389 1 1053 . 1 1 89 89 ASP N N 15 121.837 0.400 . 1 . . . . 89 ASP N . 16389 1 1054 . 1 1 90 90 LYS H H 1 8.435 0.020 . 1 . . . . 90 LYS H . 16389 1 1055 . 1 1 90 90 LYS HA H 1 4.038 0.020 . 1 . . . . 90 LYS HA . 16389 1 1056 . 1 1 90 90 LYS HB2 H 1 1.864 0.020 . 1 . . . . 90 LYS HB2 . 16389 1 1057 . 1 1 90 90 LYS HB3 H 1 1.864 0.020 . 1 . . . . 90 LYS HB3 . 16389 1 1058 . 1 1 90 90 LYS HD2 H 1 1.688 0.020 . 1 . . . . 90 LYS HD2 . 16389 1 1059 . 1 1 90 90 LYS HD3 H 1 1.688 0.020 . 1 . . . . 90 LYS HD3 . 16389 1 1060 . 1 1 90 90 LYS HE2 H 1 2.919 0.020 . 1 . . . . 90 LYS HE2 . 16389 1 1061 . 1 1 90 90 LYS HE3 H 1 2.919 0.020 . 1 . . . . 90 LYS HE3 . 16389 1 1062 . 1 1 90 90 LYS HG2 H 1 1.395 0.020 . 1 . . . . 90 LYS HG2 . 16389 1 1063 . 1 1 90 90 LYS HG3 H 1 1.395 0.020 . 1 . . . . 90 LYS HG3 . 16389 1 1064 . 1 1 90 90 LYS CA C 13 58.806 0.400 . 1 . . . . 90 LYS CA . 16389 1 1065 . 1 1 90 90 LYS CB C 13 32.456 0.400 . 1 . . . . 90 LYS CB . 16389 1 1066 . 1 1 90 90 LYS CD C 13 29.004 0.400 . 1 . . . . 90 LYS CD . 16389 1 1067 . 1 1 90 90 LYS CE C 13 42.464 0.400 . 1 . . . . 90 LYS CE . 16389 1 1068 . 1 1 90 90 LYS CG C 13 25.009 0.400 . 1 . . . . 90 LYS CG . 16389 1 1069 . 1 1 90 90 LYS N N 15 121.099 0.400 . 1 . . . . 90 LYS N . 16389 1 1070 . 1 1 91 91 ASN H H 1 7.758 0.020 . 1 . . . . 91 ASN H . 16389 1 1071 . 1 1 91 91 ASN HA H 1 4.285 0.020 . 1 . . . . 91 ASN HA . 16389 1 1072 . 1 1 91 91 ASN HB2 H 1 2.109 0.020 . 2 . . . . 91 ASN HB2 . 16389 1 1073 . 1 1 91 91 ASN HB3 H 1 2.706 0.020 . 2 . . . . 91 ASN HB3 . 16389 1 1074 . 1 1 91 91 ASN HD21 H 1 7.403 0.020 . 2 . . . . 91 ASN HD21 . 16389 1 1075 . 1 1 91 91 ASN HD22 H 1 6.586 0.020 . 2 . . . . 91 ASN HD22 . 16389 1 1076 . 1 1 91 91 ASN CA C 13 59.160 0.400 . 1 . . . . 91 ASN CA . 16389 1 1077 . 1 1 91 91 ASN CB C 13 40.523 0.400 . 1 . . . . 91 ASN CB . 16389 1 1078 . 1 1 91 91 ASN N N 15 117.112 0.400 . 1 . . . . 91 ASN N . 16389 1 1079 . 1 1 91 91 ASN ND2 N 15 110.428 0.400 . 1 . . . . 91 ASN ND2 . 16389 1 1080 . 1 1 92 92 ILE H H 1 8.490 0.020 . 1 . . . . 92 ILE H . 16389 1 1081 . 1 1 92 92 ILE HA H 1 3.460 0.020 . 1 . . . . 92 ILE HA . 16389 1 1082 . 1 1 92 92 ILE HB H 1 1.924 0.020 . 1 . . . . 92 ILE HB . 16389 1 1083 . 1 1 92 92 ILE HD11 H 1 0.683 0.020 . 1 . . . . 92 ILE HD11 . 16389 1 1084 . 1 1 92 92 ILE HD12 H 1 0.683 0.020 . 1 . . . . 92 ILE HD12 . 16389 1 1085 . 1 1 92 92 ILE HD13 H 1 0.683 0.020 . 1 . . . . 92 ILE HD13 . 16389 1 1086 . 1 1 92 92 ILE HG12 H 1 1.693 0.020 . 2 . . . . 92 ILE HG12 . 16389 1 1087 . 1 1 92 92 ILE HG13 H 1 0.650 0.020 . 2 . . . . 92 ILE HG13 . 16389 1 1088 . 1 1 92 92 ILE HG21 H 1 0.773 0.020 . 1 . . . . 92 ILE HG21 . 16389 1 1089 . 1 1 92 92 ILE HG22 H 1 0.773 0.020 . 1 . . . . 92 ILE HG22 . 16389 1 1090 . 1 1 92 92 ILE HG23 H 1 0.773 0.020 . 1 . . . . 92 ILE HG23 . 16389 1 1091 . 1 1 92 92 ILE CA C 13 66.230 0.400 . 1 . . . . 92 ILE CA . 16389 1 1092 . 1 1 92 92 ILE CB C 13 37.514 0.400 . 1 . . . . 92 ILE CB . 16389 1 1093 . 1 1 92 92 ILE CD1 C 13 13.740 0.400 . 1 . . . . 92 ILE CD1 . 16389 1 1094 . 1 1 92 92 ILE CG1 C 13 30.124 0.400 . 1 . . . . 92 ILE CG1 . 16389 1 1095 . 1 1 92 92 ILE CG2 C 13 17.773 0.400 . 1 . . . . 92 ILE CG2 . 16389 1 1096 . 1 1 92 92 ILE N N 15 120.534 0.400 . 1 . . . . 92 ILE N . 16389 1 1097 . 1 1 93 93 SER H H 1 7.713 0.020 . 1 . . . . 93 SER H . 16389 1 1098 . 1 1 93 93 SER HA H 1 3.952 0.020 . 1 . . . . 93 SER HA . 16389 1 1099 . 1 1 93 93 SER HB2 H 1 4.112 0.020 . 1 . . . . 93 SER HB2 . 16389 1 1100 . 1 1 93 93 SER HB3 H 1 4.112 0.020 . 1 . . . . 93 SER HB3 . 16389 1 1101 . 1 1 93 93 SER CA C 13 62.969 0.400 . 1 . . . . 93 SER CA . 16389 1 1102 . 1 1 93 93 SER CB C 13 62.864 0.400 . 1 . . . . 93 SER CB . 16389 1 1103 . 1 1 93 93 SER N N 15 114.902 0.400 . 1 . . . . 93 SER N . 16389 1 1104 . 1 1 94 94 LEU H H 1 8.383 0.020 . 1 . . . . 94 LEU H . 16389 1 1105 . 1 1 94 94 LEU HA H 1 3.924 0.020 . 1 . . . . 94 LEU HA . 16389 1 1106 . 1 1 94 94 LEU HB2 H 1 1.081 0.020 . 2 . . . . 94 LEU HB2 . 16389 1 1107 . 1 1 94 94 LEU HB3 H 1 1.881 0.020 . 2 . . . . 94 LEU HB3 . 16389 1 1108 . 1 1 94 94 LEU HD11 H 1 0.775 0.020 . 1 . . . . 94 LEU HD1 . 16389 1 1109 . 1 1 94 94 LEU HD12 H 1 0.775 0.020 . 1 . . . . 94 LEU HD1 . 16389 1 1110 . 1 1 94 94 LEU HD13 H 1 0.775 0.020 . 1 . . . . 94 LEU HD1 . 16389 1 1111 . 1 1 94 94 LEU HD21 H 1 0.775 0.020 . 1 . . . . 94 LEU HD2 . 16389 1 1112 . 1 1 94 94 LEU HD22 H 1 0.775 0.020 . 1 . . . . 94 LEU HD2 . 16389 1 1113 . 1 1 94 94 LEU HD23 H 1 0.775 0.020 . 1 . . . . 94 LEU HD2 . 16389 1 1114 . 1 1 94 94 LEU HG H 1 1.821 0.020 . 1 . . . . 94 LEU HG . 16389 1 1115 . 1 1 94 94 LEU CA C 13 58.203 0.400 . 1 . . . . 94 LEU CA . 16389 1 1116 . 1 1 94 94 LEU CB C 13 43.015 0.400 . 1 . . . . 94 LEU CB . 16389 1 1117 . 1 1 94 94 LEU CD1 C 13 22.896 0.400 . 1 . . . . 94 LEU CD1 . 16389 1 1118 . 1 1 94 94 LEU CG C 13 27.096 0.400 . 1 . . . . 94 LEU CG . 16389 1 1119 . 1 1 94 94 LEU N N 15 120.736 0.400 . 1 . . . . 94 LEU N . 16389 1 1120 . 1 1 95 95 PHE H H 1 8.438 0.020 . 1 . . . . 95 PHE H . 16389 1 1121 . 1 1 95 95 PHE HA H 1 3.883 0.020 . 1 . . . . 95 PHE HA . 16389 1 1122 . 1 1 95 95 PHE HB2 H 1 3.214 0.020 . 2 . . . . 95 PHE HB2 . 16389 1 1123 . 1 1 95 95 PHE HB3 H 1 3.018 0.020 . 2 . . . . 95 PHE HB3 . 16389 1 1124 . 1 1 95 95 PHE HD1 H 1 6.473 0.020 . 1 . . . . 95 PHE HD1 . 16389 1 1125 . 1 1 95 95 PHE HD2 H 1 6.473 0.020 . 1 . . . . 95 PHE HD2 . 16389 1 1126 . 1 1 95 95 PHE HE1 H 1 6.572 0.020 . 1 . . . . 95 PHE HE1 . 16389 1 1127 . 1 1 95 95 PHE HE2 H 1 6.572 0.020 . 1 . . . . 95 PHE HE2 . 16389 1 1128 . 1 1 95 95 PHE HZ H 1 6.880 0.020 . 1 . . . . 95 PHE HZ . 16389 1 1129 . 1 1 95 95 PHE CA C 13 61.490 0.400 . 1 . . . . 95 PHE CA . 16389 1 1130 . 1 1 95 95 PHE CB C 13 39.210 0.400 . 1 . . . . 95 PHE CB . 16389 1 1131 . 1 1 95 95 PHE CD1 C 13 130.752 0.400 . 1 . . . . 95 PHE CD1 . 16389 1 1132 . 1 1 95 95 PHE CE1 C 13 131.355 0.400 . 1 . . . . 95 PHE CE1 . 16389 1 1133 . 1 1 95 95 PHE CZ C 13 129.407 0.400 . 1 . . . . 95 PHE CZ . 16389 1 1134 . 1 1 95 95 PHE N N 15 121.040 0.400 . 1 . . . . 95 PHE N . 16389 1 1135 . 1 1 96 96 ILE H H 1 8.371 0.020 . 1 . . . . 96 ILE H . 16389 1 1136 . 1 1 96 96 ILE HA H 1 3.343 0.020 . 1 . . . . 96 ILE HA . 16389 1 1137 . 1 1 96 96 ILE HB H 1 1.921 0.020 . 1 . . . . 96 ILE HB . 16389 1 1138 . 1 1 96 96 ILE HD11 H 1 0.704 0.020 . 1 . . . . 96 ILE HD11 . 16389 1 1139 . 1 1 96 96 ILE HD12 H 1 0.704 0.020 . 1 . . . . 96 ILE HD12 . 16389 1 1140 . 1 1 96 96 ILE HD13 H 1 0.704 0.020 . 1 . . . . 96 ILE HD13 . 16389 1 1141 . 1 1 96 96 ILE HG12 H 1 1.970 0.020 . 2 . . . . 96 ILE HG12 . 16389 1 1142 . 1 1 96 96 ILE HG13 H 1 0.893 0.020 . 2 . . . . 96 ILE HG13 . 16389 1 1143 . 1 1 96 96 ILE HG21 H 1 0.774 0.020 . 1 . . . . 96 ILE HG21 . 16389 1 1144 . 1 1 96 96 ILE HG22 H 1 0.774 0.020 . 1 . . . . 96 ILE HG22 . 16389 1 1145 . 1 1 96 96 ILE HG23 H 1 0.774 0.020 . 1 . . . . 96 ILE HG23 . 16389 1 1146 . 1 1 96 96 ILE CA C 13 65.680 0.400 . 1 . . . . 96 ILE CA . 16389 1 1147 . 1 1 96 96 ILE CB C 13 38.550 0.400 . 1 . . . . 96 ILE CB . 16389 1 1148 . 1 1 96 96 ILE CD1 C 13 14.056 0.400 . 1 . . . . 96 ILE CD1 . 16389 1 1149 . 1 1 96 96 ILE CG1 C 13 31.031 0.400 . 1 . . . . 96 ILE CG1 . 16389 1 1150 . 1 1 96 96 ILE CG2 C 13 17.360 0.400 . 1 . . . . 96 ILE CG2 . 16389 1 1151 . 1 1 96 96 ILE N N 15 122.360 0.400 . 1 . . . . 96 ILE N . 16389 1 1152 . 1 1 97 97 GLU H H 1 7.601 0.020 . 1 . . . . 97 GLU H . 16389 1 1153 . 1 1 97 97 GLU HA H 1 4.099 0.020 . 1 . . . . 97 GLU HA . 16389 1 1154 . 1 1 97 97 GLU HB2 H 1 2.189 0.020 . 2 . . . . 97 GLU HB2 . 16389 1 1155 . 1 1 97 97 GLU HB3 H 1 1.848 0.020 . 2 . . . . 97 GLU HB3 . 16389 1 1156 . 1 1 97 97 GLU HG2 H 1 2.307 0.020 . 2 . . . . 97 GLU HG2 . 16389 1 1157 . 1 1 97 97 GLU HG3 H 1 2.348 0.020 . 2 . . . . 97 GLU HG3 . 16389 1 1158 . 1 1 97 97 GLU CA C 13 56.628 0.400 . 1 . . . . 97 GLU CA . 16389 1 1159 . 1 1 97 97 GLU CB C 13 30.361 0.400 . 1 . . . . 97 GLU CB . 16389 1 1160 . 1 1 97 97 GLU CG C 13 36.221 0.400 . 1 . . . . 97 GLU CG . 16389 1 1161 . 1 1 97 97 GLU N N 15 116.173 0.400 . 1 . . . . 97 GLU N . 16389 1 1162 . 1 1 98 98 GLY H H 1 7.664 0.020 . 1 . . . . 98 GLY H . 16389 1 1163 . 1 1 98 98 GLY HA2 H 1 3.743 0.020 . 2 . . . . 98 GLY HA2 . 16389 1 1164 . 1 1 98 98 GLY HA3 H 1 3.887 0.020 . 2 . . . . 98 GLY HA3 . 16389 1 1165 . 1 1 98 98 GLY CA C 13 46.624 0.400 . 1 . . . . 98 GLY CA . 16389 1 1166 . 1 1 98 98 GLY N N 15 108.883 0.400 . 1 . . . . 98 GLY N . 16389 1 1167 . 1 1 99 99 GLU H H 1 8.144 0.020 . 1 . . . . 99 GLU H . 16389 1 1168 . 1 1 99 99 GLU HA H 1 4.303 0.020 . 1 . . . . 99 GLU HA . 16389 1 1169 . 1 1 99 99 GLU HB2 H 1 2.311 0.020 . 2 . . . . 99 GLU HB2 . 16389 1 1170 . 1 1 99 99 GLU HB3 H 1 1.602 0.020 . 2 . . . . 99 GLU HB3 . 16389 1 1171 . 1 1 99 99 GLU HG2 H 1 2.184 0.020 . 2 . . . . 99 GLU HG2 . 16389 1 1172 . 1 1 99 99 GLU HG3 H 1 1.976 0.020 . 2 . . . . 99 GLU HG3 . 16389 1 1173 . 1 1 99 99 GLU CA C 13 56.386 0.400 . 1 . . . . 99 GLU CA . 16389 1 1174 . 1 1 99 99 GLU CB C 13 31.922 0.400 . 1 . . . . 99 GLU CB . 16389 1 1175 . 1 1 99 99 GLU CG C 13 36.107 0.400 . 1 . . . . 99 GLU CG . 16389 1 1176 . 1 1 99 99 GLU N N 15 116.831 0.400 . 1 . . . . 99 GLU N . 16389 1 1177 . 1 1 100 100 LEU H H 1 7.521 0.020 . 1 . . . . 100 LEU H . 16389 1 1178 . 1 1 100 100 LEU HA H 1 4.782 0.020 . 1 . . . . 100 LEU HA . 16389 1 1179 . 1 1 100 100 LEU HB2 H 1 1.722 0.020 . 2 . . . . 100 LEU HB2 . 16389 1 1180 . 1 1 100 100 LEU HB3 H 1 1.792 0.020 . 2 . . . . 100 LEU HB3 . 16389 1 1181 . 1 1 100 100 LEU HD11 H 1 0.965 0.020 . 2 . . . . 100 LEU HD11 . 16389 1 1182 . 1 1 100 100 LEU HD12 H 1 0.965 0.020 . 2 . . . . 100 LEU HD12 . 16389 1 1183 . 1 1 100 100 LEU HD13 H 1 0.965 0.020 . 2 . . . . 100 LEU HD13 . 16389 1 1184 . 1 1 100 100 LEU HD21 H 1 1.085 0.020 . 2 . . . . 100 LEU HD21 . 16389 1 1185 . 1 1 100 100 LEU HD22 H 1 1.085 0.020 . 2 . . . . 100 LEU HD22 . 16389 1 1186 . 1 1 100 100 LEU HD23 H 1 1.085 0.020 . 2 . . . . 100 LEU HD23 . 16389 1 1187 . 1 1 100 100 LEU HG H 1 1.403 0.020 . 1 . . . . 100 LEU HG . 16389 1 1188 . 1 1 100 100 LEU CA C 13 54.533 0.400 . 1 . . . . 100 LEU CA . 16389 1 1189 . 1 1 100 100 LEU CB C 13 43.223 0.400 . 1 . . . . 100 LEU CB . 16389 1 1190 . 1 1 100 100 LEU CD1 C 13 27.085 0.400 . 1 . . . . 100 LEU CD1 . 16389 1 1191 . 1 1 100 100 LEU CD2 C 13 23.509 0.400 . 1 . . . . 100 LEU CD2 . 16389 1 1192 . 1 1 100 100 LEU CG C 13 27.243 0.400 . 1 . . . . 100 LEU CG . 16389 1 1193 . 1 1 100 100 LEU N N 15 117.977 0.400 . 1 . . . . 100 LEU N . 16389 1 1194 . 1 1 101 101 SER H H 1 9.667 0.020 . 1 . . . . 101 SER H . 16389 1 1195 . 1 1 101 101 SER HA H 1 4.625 0.020 . 1 . . . . 101 SER HA . 16389 1 1196 . 1 1 101 101 SER HB2 H 1 3.944 0.020 . 1 . . . . 101 SER HB2 . 16389 1 1197 . 1 1 101 101 SER HB3 H 1 3.944 0.020 . 1 . . . . 101 SER HB3 . 16389 1 1198 . 1 1 101 101 SER CA C 13 58.390 0.400 . 1 . . . . 101 SER CA . 16389 1 1199 . 1 1 101 101 SER CB C 13 65.036 0.400 . 1 . . . . 101 SER CB . 16389 1 1200 . 1 1 101 101 SER N N 15 120.072 0.400 . 1 . . . . 101 SER N . 16389 1 1201 . 1 1 102 102 LYS H H 1 8.563 0.020 . 1 . . . . 102 LYS H . 16389 1 1202 . 1 1 102 102 LYS HA H 1 4.246 0.020 . 1 . . . . 102 LYS HA . 16389 1 1203 . 1 1 102 102 LYS HB2 H 1 1.462 0.020 . 2 . . . . 102 LYS HB2 . 16389 1 1204 . 1 1 102 102 LYS HB3 H 1 1.598 0.020 . 2 . . . . 102 LYS HB3 . 16389 1 1205 . 1 1 102 102 LYS HD2 H 1 1.452 0.020 . 1 . . . . 102 LYS HD2 . 16389 1 1206 . 1 1 102 102 LYS HD3 H 1 1.452 0.020 . 1 . . . . 102 LYS HD3 . 16389 1 1207 . 1 1 102 102 LYS HE2 H 1 2.809 0.020 . 1 . . . . 102 LYS HE2 . 16389 1 1208 . 1 1 102 102 LYS HE3 H 1 2.809 0.020 . 1 . . . . 102 LYS HE3 . 16389 1 1209 . 1 1 102 102 LYS HG2 H 1 1.180 0.020 . 2 . . . . 102 LYS HG2 . 16389 1 1210 . 1 1 102 102 LYS HG3 H 1 0.704 0.020 . 2 . . . . 102 LYS HG3 . 16389 1 1211 . 1 1 102 102 LYS CA C 13 56.840 0.400 . 1 . . . . 102 LYS CA . 16389 1 1212 . 1 1 102 102 LYS CB C 13 33.480 0.400 . 1 . . . . 102 LYS CB . 16389 1 1213 . 1 1 102 102 LYS CD C 13 29.423 0.400 . 1 . . . . 102 LYS CD . 16389 1 1214 . 1 1 102 102 LYS CE C 13 42.402 0.400 . 1 . . . . 102 LYS CE . 16389 1 1215 . 1 1 102 102 LYS CG C 13 26.166 0.400 . 1 . . . . 102 LYS CG . 16389 1 1216 . 1 1 102 102 LYS N N 15 123.530 0.400 . 1 . . . . 102 LYS N . 16389 1 1217 . 1 1 103 103 ILE H H 1 8.518 0.020 . 1 . . . . 103 ILE H . 16389 1 1218 . 1 1 103 103 ILE HA H 1 3.907 0.020 . 1 . . . . 103 ILE HA . 16389 1 1219 . 1 1 103 103 ILE HB H 1 1.444 0.020 . 1 . . . . 103 ILE HB . 16389 1 1220 . 1 1 103 103 ILE HD11 H 1 0.626 0.020 . 1 . . . . 103 ILE HD11 . 16389 1 1221 . 1 1 103 103 ILE HD12 H 1 0.626 0.020 . 1 . . . . 103 ILE HD12 . 16389 1 1222 . 1 1 103 103 ILE HD13 H 1 0.626 0.020 . 1 . . . . 103 ILE HD13 . 16389 1 1223 . 1 1 103 103 ILE HG12 H 1 1.387 0.020 . 2 . . . . 103 ILE HG12 . 16389 1 1224 . 1 1 103 103 ILE HG13 H 1 0.872 0.020 . 2 . . . . 103 ILE HG13 . 16389 1 1225 . 1 1 103 103 ILE HG21 H 1 0.629 0.020 . 1 . . . . 103 ILE HG21 . 16389 1 1226 . 1 1 103 103 ILE HG22 H 1 0.629 0.020 . 1 . . . . 103 ILE HG22 . 16389 1 1227 . 1 1 103 103 ILE HG23 H 1 0.629 0.020 . 1 . . . . 103 ILE HG23 . 16389 1 1228 . 1 1 103 103 ILE CA C 13 62.587 0.400 . 1 . . . . 103 ILE CA . 16389 1 1229 . 1 1 103 103 ILE CB C 13 38.516 0.400 . 1 . . . . 103 ILE CB . 16389 1 1230 . 1 1 103 103 ILE CD1 C 13 13.713 0.400 . 1 . . . . 103 ILE CD1 . 16389 1 1231 . 1 1 103 103 ILE CG1 C 13 28.891 0.400 . 1 . . . . 103 ILE CG1 . 16389 1 1232 . 1 1 103 103 ILE CG2 C 13 17.276 0.400 . 1 . . . . 103 ILE CG2 . 16389 1 1233 . 1 1 103 103 ILE N N 15 124.328 0.400 . 1 . . . . 103 ILE N . 16389 1 1234 . 1 1 104 104 SER H H 1 8.308 0.020 . 1 . . . . 104 SER H . 16389 1 1235 . 1 1 104 104 SER HA H 1 4.458 0.020 . 1 . . . . 104 SER HA . 16389 1 1236 . 1 1 104 104 SER HB2 H 1 3.672 0.020 . 1 . . . . 104 SER HB2 . 16389 1 1237 . 1 1 104 104 SER HB3 H 1 3.672 0.020 . 1 . . . . 104 SER HB3 . 16389 1 1238 . 1 1 104 104 SER CA C 13 58.031 0.400 . 1 . . . . 104 SER CA . 16389 1 1239 . 1 1 104 104 SER CB C 13 64.619 0.400 . 1 . . . . 104 SER CB . 16389 1 1240 . 1 1 104 104 SER N N 15 122.218 0.400 . 1 . . . . 104 SER N . 16389 1 1241 . 1 1 105 105 ASN H H 1 7.771 0.020 . 1 . . . . 105 ASN H . 16389 1 1242 . 1 1 105 105 ASN HA H 1 4.520 0.020 . 1 . . . . 105 ASN HA . 16389 1 1243 . 1 1 105 105 ASN HB2 H 1 2.304 0.020 . 2 . . . . 105 ASN HB2 . 16389 1 1244 . 1 1 105 105 ASN HB3 H 1 2.588 0.020 . 2 . . . . 105 ASN HB3 . 16389 1 1245 . 1 1 105 105 ASN HD21 H 1 6.667 0.020 . 2 . . . . 105 ASN HD21 . 16389 1 1246 . 1 1 105 105 ASN HD22 H 1 7.213 0.020 . 2 . . . . 105 ASN HD22 . 16389 1 1247 . 1 1 105 105 ASN CA C 13 51.795 0.400 . 1 . . . . 105 ASN CA . 16389 1 1248 . 1 1 105 105 ASN CB C 13 39.628 0.400 . 1 . . . . 105 ASN CB . 16389 1 1249 . 1 1 105 105 ASN N N 15 120.750 0.400 . 1 . . . . 105 ASN N . 16389 1 1250 . 1 1 105 105 ASN ND2 N 15 112.749 0.400 . 1 . . . . 105 ASN ND2 . 16389 1 1251 . 1 1 106 106 PRO HA H 1 4.059 0.020 . 1 . . . . 106 PRO HA . 16389 1 1252 . 1 1 106 106 PRO HB2 H 1 1.796 0.020 . 2 . . . . 106 PRO HB2 . 16389 1 1253 . 1 1 106 106 PRO HB3 H 1 1.992 0.020 . 2 . . . . 106 PRO HB3 . 16389 1 1254 . 1 1 106 106 PRO HD2 H 1 3.064 0.020 . 2 . . . . 106 PRO HD2 . 16389 1 1255 . 1 1 106 106 PRO HD3 H 1 3.328 0.020 . 2 . . . . 106 PRO HD3 . 16389 1 1256 . 1 1 106 106 PRO HG2 H 1 1.638 0.020 . 2 . . . . 106 PRO HG2 . 16389 1 1257 . 1 1 106 106 PRO HG3 H 1 1.777 0.020 . 2 . . . . 106 PRO HG3 . 16389 1 1258 . 1 1 106 106 PRO CA C 13 65.034 0.400 . 1 . . . . 106 PRO CA . 16389 1 1259 . 1 1 106 106 PRO CB C 13 32.312 0.400 . 1 . . . . 106 PRO CB . 16389 1 1260 . 1 1 106 106 PRO CD C 13 50.344 0.400 . 1 . . . . 106 PRO CD . 16389 1 1261 . 1 1 106 106 PRO CG C 13 27.453 0.400 . 1 . . . . 106 PRO CG . 16389 1 stop_ save_