data_18118 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18118 _Entry.Title ; NMR structure of the protein BC040485 from Homo sapiens ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2011-12-01 _Entry.Accession_date 2011-12-01 _Entry.Last_release_date 2012-01-25 _Entry.Original_release_date 2012-01-25 _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Samit Dutta . K. . 18118 2 Pedro Serrano . . . 18118 3 Michael Geralt . . . 18118 4 Kurt Wuthrich . . . 18118 5 JCSG JCSG . . . 18118 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'PSI, Protein Structure Initiative' 'Joint Center for Structural Genomics' . 18118 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Homo sapiens G-rich RNA sequence binding factor' . 18118 'RNA binding domain' . 18118 RRM . 18118 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18118 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 340 18118 '15N chemical shifts' 113 18118 '1H chemical shifts' 698 18118 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 . . 2012-01-25 2011-12-01 original author . 18118 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LMI 'BMRB Entry Tracking System' 18118 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18118 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID . _Citation.Full_citation . _Citation.Title 'NMR structure of the human RNA binding protein BC040485' _Citation.Status 'in preparation' _Citation.Type journal _Citation.Journal_abbrev 'Not known' _Citation.Journal_name_full . _Citation.Journal_volume . _Citation.Journal_issue . _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first . _Citation.Page_last . _Citation.Year . _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Samit Dutta . K. . 18118 1 2 Pedro Serrano . . . 18118 1 3 Michael Geralt . . . 18118 1 4 Kurt Wuthrich . . . 18118 1 stop_ loop_ _Citation_keyword.Keyword _Citation_keyword.Entry_ID _Citation_keyword.Citation_ID 'RNA binding' 18118 1 RRM 18118 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18118 _Assembly.ID 1 _Assembly.Name BC040485 _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 BC040485 1 $entity A . yes native no no . . . 18118 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18118 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GSKLEEEVDDVFLIRAQGLP WSCTMEDVLNFFSDCRIRNG ENGIHFLLNRDGKRRGDALI EMESEQDVQKALEKHRMYMG QRYVEVYEINNEDVDALMKS LQVKSSP ; _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 107 _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 12443.094 _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 2LMI . "Nmr Structure Of The Protein Bc040485 From Homo Sapiens" . . . . . 100.00 107 100.00 100.00 5.12e-72 . . . . 18118 1 2 no PDB 4QU6 . "Crystal Structure Of A G-rich Rna Sequence Binding Factor 1 (grsf1) From Homo Sapiens At 1.75 A Resolution" . . . . . 100.00 107 100.00 100.00 5.12e-72 . . . . 18118 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 . 18118 1 2 . SER . 18118 1 3 . LYS . 18118 1 4 . LEU . 18118 1 5 . GLU . 18118 1 6 . GLU . 18118 1 7 . GLU . 18118 1 8 . VAL . 18118 1 9 . ASP . 18118 1 10 . ASP . 18118 1 11 . VAL . 18118 1 12 . PHE . 18118 1 13 . LEU . 18118 1 14 . ILE . 18118 1 15 . ARG . 18118 1 16 . ALA . 18118 1 17 . GLN . 18118 1 18 . GLY . 18118 1 19 . LEU . 18118 1 20 . PRO . 18118 1 21 . TRP . 18118 1 22 . SER . 18118 1 23 . CYS . 18118 1 24 . THR . 18118 1 25 . MET . 18118 1 26 . GLU . 18118 1 27 . ASP . 18118 1 28 . VAL . 18118 1 29 . LEU . 18118 1 30 . ASN . 18118 1 31 . PHE . 18118 1 32 . PHE . 18118 1 33 . SER . 18118 1 34 . ASP . 18118 1 35 . CYS . 18118 1 36 . ARG . 18118 1 37 . ILE . 18118 1 38 . ARG . 18118 1 39 . ASN . 18118 1 40 . GLY . 18118 1 41 . GLU . 18118 1 42 . ASN . 18118 1 43 . GLY . 18118 1 44 . ILE . 18118 1 45 . HIS . 18118 1 46 . PHE . 18118 1 47 . LEU . 18118 1 48 . LEU . 18118 1 49 . ASN . 18118 1 50 . ARG . 18118 1 51 . ASP . 18118 1 52 . GLY . 18118 1 53 . LYS . 18118 1 54 . ARG . 18118 1 55 . ARG . 18118 1 56 . GLY . 18118 1 57 . ASP . 18118 1 58 . ALA . 18118 1 59 . LEU . 18118 1 60 . ILE . 18118 1 61 . GLU . 18118 1 62 . MET . 18118 1 63 . GLU . 18118 1 64 . SER . 18118 1 65 . GLU . 18118 1 66 . GLN . 18118 1 67 . ASP . 18118 1 68 . VAL . 18118 1 69 . GLN . 18118 1 70 . LYS . 18118 1 71 . ALA . 18118 1 72 . LEU . 18118 1 73 . GLU . 18118 1 74 . LYS . 18118 1 75 . HIS . 18118 1 76 . ARG . 18118 1 77 . MET . 18118 1 78 . TYR . 18118 1 79 . MET . 18118 1 80 . GLY . 18118 1 81 . GLN . 18118 1 82 . ARG . 18118 1 83 . TYR . 18118 1 84 . VAL . 18118 1 85 . GLU . 18118 1 86 . VAL . 18118 1 87 . TYR . 18118 1 88 . GLU . 18118 1 89 . ILE . 18118 1 90 . ASN . 18118 1 91 . ASN . 18118 1 92 . GLU . 18118 1 93 . ASP . 18118 1 94 . VAL . 18118 1 95 . ASP . 18118 1 96 . ALA . 18118 1 97 . LEU . 18118 1 98 . MET . 18118 1 99 . LYS . 18118 1 100 . SER . 18118 1 101 . LEU . 18118 1 102 . GLN . 18118 1 103 . VAL . 18118 1 104 . LYS . 18118 1 105 . SER . 18118 1 106 . SER . 18118 1 107 . PRO . 18118 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 18118 1 . SER 2 2 18118 1 . LYS 3 3 18118 1 . LEU 4 4 18118 1 . GLU 5 5 18118 1 . GLU 6 6 18118 1 . GLU 7 7 18118 1 . VAL 8 8 18118 1 . ASP 9 9 18118 1 . ASP 10 10 18118 1 . VAL 11 11 18118 1 . PHE 12 12 18118 1 . LEU 13 13 18118 1 . ILE 14 14 18118 1 . ARG 15 15 18118 1 . ALA 16 16 18118 1 . GLN 17 17 18118 1 . GLY 18 18 18118 1 . LEU 19 19 18118 1 . PRO 20 20 18118 1 . TRP 21 21 18118 1 . SER 22 22 18118 1 . CYS 23 23 18118 1 . THR 24 24 18118 1 . MET 25 25 18118 1 . GLU 26 26 18118 1 . ASP 27 27 18118 1 . VAL 28 28 18118 1 . LEU 29 29 18118 1 . ASN 30 30 18118 1 . PHE 31 31 18118 1 . PHE 32 32 18118 1 . SER 33 33 18118 1 . ASP 34 34 18118 1 . CYS 35 35 18118 1 . ARG 36 36 18118 1 . ILE 37 37 18118 1 . ARG 38 38 18118 1 . ASN 39 39 18118 1 . GLY 40 40 18118 1 . GLU 41 41 18118 1 . ASN 42 42 18118 1 . GLY 43 43 18118 1 . ILE 44 44 18118 1 . HIS 45 45 18118 1 . PHE 46 46 18118 1 . LEU 47 47 18118 1 . LEU 48 48 18118 1 . ASN 49 49 18118 1 . ARG 50 50 18118 1 . ASP 51 51 18118 1 . GLY 52 52 18118 1 . LYS 53 53 18118 1 . ARG 54 54 18118 1 . ARG 55 55 18118 1 . GLY 56 56 18118 1 . ASP 57 57 18118 1 . ALA 58 58 18118 1 . LEU 59 59 18118 1 . ILE 60 60 18118 1 . GLU 61 61 18118 1 . MET 62 62 18118 1 . GLU 63 63 18118 1 . SER 64 64 18118 1 . GLU 65 65 18118 1 . GLN 66 66 18118 1 . ASP 67 67 18118 1 . VAL 68 68 18118 1 . GLN 69 69 18118 1 . LYS 70 70 18118 1 . ALA 71 71 18118 1 . LEU 72 72 18118 1 . GLU 73 73 18118 1 . LYS 74 74 18118 1 . HIS 75 75 18118 1 . ARG 76 76 18118 1 . MET 77 77 18118 1 . TYR 78 78 18118 1 . MET 79 79 18118 1 . GLY 80 80 18118 1 . GLN 81 81 18118 1 . ARG 82 82 18118 1 . TYR 83 83 18118 1 . VAL 84 84 18118 1 . GLU 85 85 18118 1 . VAL 86 86 18118 1 . TYR 87 87 18118 1 . GLU 88 88 18118 1 . ILE 89 89 18118 1 . ASN 90 90 18118 1 . ASN 91 91 18118 1 . GLU 92 92 18118 1 . ASP 93 93 18118 1 . VAL 94 94 18118 1 . ASP 95 95 18118 1 . ALA 96 96 18118 1 . LEU 97 97 18118 1 . MET 98 98 18118 1 . LYS 99 99 18118 1 . SER 100 100 18118 1 . LEU 101 101 18118 1 . GLN 102 102 18118 1 . VAL 103 103 18118 1 . LYS 104 104 18118 1 . SER 105 105 18118 1 . SER 106 106 18118 1 . PRO 107 107 18118 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 18118 _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 . 9606 organism . 'Homo sapiens' Human . . Eukaryota Metazoa Homo sapiens . . . . . . . . . . . . . . . . . . . . . 18118 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 18118 _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 . . . . . . . . . . . . . . . . pSpeedET . . . . . . 18118 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18118 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '95% H2O/5% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 entity '[U-98% 13C; U-98% 15N]' . . 1 $entity . . 1.2 . . mM . . . . 18118 1 2 'sodium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18118 1 3 'sodium azide' 'natural abundance' . . . . . . 5 . . mM . . . . 18118 1 4 'sodium chloride' 'natural abundance' . . . . . . 50 . . mM . . . . 18118 1 5 H2O 'natural abundance' . . . . . . 95 . . % . . . . 18118 1 6 D2O 'natural abundance' . . . . . . 5 . . % . . . . 18118 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 18118 _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' 0.080 . M 18118 1 pH 6.0 . pH 18118 1 pressure 1 . atm 18118 1 temperature 298 . K 18118 1 stop_ save_ ############################ # Computer software used # ############################ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18118 _Software.ID 1 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'G ntert P.' . . 18118 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18118 1 stop_ save_ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18118 _Software.ID 2 _Software.Name TOPSPIN _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18118 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18118 2 processing 18118 2 stop_ save_ save_CARA _Software.Sf_category software _Software.Sf_framecode CARA _Software.Entry_ID 18118 _Software.ID 3 _Software.Name CARA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Keller and Wuthrich' . . 18118 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18118 3 'data analysis' 18118 3 stop_ save_ save_OPAL _Software.Sf_category software _Software.Sf_framecode OPAL _Software.Entry_ID 18118 _Software.ID 4 _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' . . 18118 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18118 4 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 18118 _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 18118 _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 18118 _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 . . . 18118 1 2 spectrometer_2 Bruker Avance . 800 . . . 18118 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 18118 _Experiment_list.ID 1 _Experiment_list.Details . loop_ _Experiment.ID _Experiment.Name _Experiment.Raw_data_flag _Experiment.NMR_spec_expt_ID _Experiment.NMR_spec_expt_label _Experiment.MS_expt_ID _Experiment.MS_expt_label _Experiment.SAXS_expt_ID _Experiment.SAXS_expt_label _Experiment.FRET_expt_ID _Experiment.FRET_expt_label _Experiment.EMR_expt_ID _Experiment.EMR_expt_label _Experiment.Sample_ID _Experiment.Sample_label _Experiment.Sample_state _Experiment.Sample_volume _Experiment.Sample_volume_units _Experiment.Sample_condition_list_ID _Experiment.Sample_condition_list_label _Experiment.Sample_spinning_rate _Experiment.Sample_angle _Experiment.NMR_tube_type _Experiment.NMR_spectrometer_ID _Experiment.NMR_spectrometer_label _Experiment.NMR_spectrometer_probe_ID _Experiment.NMR_spectrometer_probe_label _Experiment.NMR_spectral_processing_ID _Experiment.NMR_spectral_processing_label _Experiment.Mass_spectrometer_ID _Experiment.Mass_spectrometer_label _Experiment.Xray_instrument_ID _Experiment.Xray_instrument_label _Experiment.Fluorescence_instrument_ID _Experiment.Fluorescence_instrument_label _Experiment.EMR_instrument_ID _Experiment.EMR_instrument_label _Experiment.Chromatographic_system_ID _Experiment.Chromatographic_system_label _Experiment.Chromatographic_column_ID _Experiment.Chromatographic_column_label _Experiment.Entry_ID _Experiment.Experiment_list_ID 1 '2D 1H-15N HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18118 1 2 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18118 1 3 '3D HNCA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18118 1 4 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18118 1 5 '4D HACANH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18118 1 6 '5D HACACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18118 1 7 '5D CBCACONH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18118 1 8 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18118 1 9 '3D 1H-13C NOESY aliphatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18118 1 10 '3D 1H-13C NOESY aromatic' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 18118 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 18118 _Chem_shift_reference.ID 1 _Chem_shift_reference.Details . loop_ _Chem_shift_ref.Atom_type _Chem_shift_ref.Atom_isotope_number _Chem_shift_ref.Mol_common_name _Chem_shift_ref.Atom_group _Chem_shift_ref.Concentration_val _Chem_shift_ref.Concentration_units _Chem_shift_ref.Solvent _Chem_shift_ref.Rank _Chem_shift_ref.Chem_shift_units _Chem_shift_ref.Chem_shift_val _Chem_shift_ref.Ref_method _Chem_shift_ref.Ref_type _Chem_shift_ref.Indirect_shift_ratio _Chem_shift_ref.External_ref_loc _Chem_shift_ref.External_ref_sample_geometry _Chem_shift_ref.External_ref_axis _Chem_shift_ref.Indirect_shift_ratio_cit_ID _Chem_shift_ref.Indirect_shift_ratio_cit_label _Chem_shift_ref.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Correction_val_cit_ID _Chem_shift_ref.Correction_val_cit_label _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . . . . . 18118 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18118 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18118 1 P 31 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.404808636 . . . . . . . . . 18118 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 18118 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $sample_conditions_1 _Assigned_chem_shift_list.Chem_shift_reference_ID 1 _Assigned_chem_shift_list.Chem_shift_reference_label $chemical_shift_reference_1 _Assigned_chem_shift_list.Chem_shift_1H_err . _Assigned_chem_shift_list.Chem_shift_13C_err . _Assigned_chem_shift_list.Chem_shift_15N_err . _Assigned_chem_shift_list.Chem_shift_31P_err . _Assigned_chem_shift_list.Chem_shift_2H_err . _Assigned_chem_shift_list.Chem_shift_19F_err . _Assigned_chem_shift_list.Error_derivation_method . _Assigned_chem_shift_list.Details . _Assigned_chem_shift_list.Text_data_format . _Assigned_chem_shift_list.Text_data . loop_ _Chem_shift_experiment.Experiment_ID _Chem_shift_experiment.Experiment_name _Chem_shift_experiment.Sample_ID _Chem_shift_experiment.Sample_label _Chem_shift_experiment.Sample_state _Chem_shift_experiment.Entry_ID _Chem_shift_experiment.Assigned_chem_shift_list_ID 1 '2D 1H-15N HSQC' . . . 18118 1 2 '3D CBCA(CO)NH' . . . 18118 1 3 '3D HNCA' . . . 18118 1 4 '3D HNCACB' . . . 18118 1 5 '4D HACANH' . . . 18118 1 6 '5D HACACONH' . . . 18118 1 7 '5D CBCACONH' . . . 18118 1 8 '3D 1H-15N NOESY' . . . 18118 1 9 '3D 1H-13C NOESY aliphatic' . . . 18118 1 10 '3D 1H-13C NOESY aromatic' . . . 18118 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 2 2 SER H H 1 8.195 0.006 . 1 . . . A 2 SER H . 18118 1 2 . 1 1 2 2 SER HA H 1 4.707 0.006 . 1 . . . A 2 SER HA . 18118 1 3 . 1 1 2 2 SER HB2 H 1 3.787 0.006 . 2 . . . A 2 SER QB . 18118 1 4 . 1 1 2 2 SER HB3 H 1 3.787 0.006 . 2 . . . A 2 SER QB . 18118 1 5 . 1 1 2 2 SER CA C 13 55.678 0.166 . 1 . . . A 2 SER CA . 18118 1 6 . 1 1 2 2 SER CB C 13 61.009 0.166 . 1 . . . A 2 SER CB . 18118 1 7 . 1 1 2 2 SER N N 15 118.867 0.106 . 1 . . . A 2 SER N . 18118 1 8 . 1 1 3 3 LYS H H 1 8.427 0.006 . 1 . . . A 3 LYS H . 18118 1 9 . 1 1 3 3 LYS CA C 13 53.708 0.166 . 1 . . . A 3 LYS CA . 18118 1 10 . 1 1 3 3 LYS CB C 13 30.374 0.166 . 1 . . . A 3 LYS CB . 18118 1 11 . 1 1 3 3 LYS N N 15 123.188 0.106 . 1 . . . A 3 LYS N . 18118 1 12 . 1 1 4 4 LEU H H 1 8.311 0.006 . 1 . . . A 4 LEU H . 18118 1 13 . 1 1 4 4 LEU HA H 1 4.204 0.006 . 1 . . . A 4 LEU HA . 18118 1 14 . 1 1 4 4 LEU HB2 H 1 1.531 0.006 . 2 . . . A 4 LEU HB2 . 18118 1 15 . 1 1 4 4 LEU CA C 13 52.990 0.166 . 1 . . . A 4 LEU CA . 18118 1 16 . 1 1 4 4 LEU CB C 13 39.667 0.166 . 1 . . . A 4 LEU CB . 18118 1 17 . 1 1 4 4 LEU N N 15 123.342 0.106 . 1 . . . A 4 LEU N . 18118 1 18 . 1 1 5 5 GLU H H 1 8.321 0.006 . 1 . . . A 5 GLU H . 18118 1 19 . 1 1 5 5 GLU HA H 1 4.157 0.006 . 1 . . . A 5 GLU HA . 18118 1 20 . 1 1 5 5 GLU HB2 H 1 1.856 0.006 . 2 . . . A 5 GLU HB2 . 18118 1 21 . 1 1 5 5 GLU HB3 H 1 1.967 0.006 . 2 . . . A 5 GLU HB3 . 18118 1 22 . 1 1 5 5 GLU HG2 H 1 2.169 0.006 . 2 . . . A 5 GLU QG . 18118 1 23 . 1 1 5 5 GLU HG3 H 1 2.169 0.006 . 2 . . . A 5 GLU QG . 18118 1 24 . 1 1 5 5 GLU CA C 13 54.230 0.166 . 1 . . . A 5 GLU CA . 18118 1 25 . 1 1 5 5 GLU CB C 13 27.847 0.166 . 1 . . . A 5 GLU CB . 18118 1 26 . 1 1 5 5 GLU CG C 13 33.681 0.166 . 1 . . . A 5 GLU CG . 18118 1 27 . 1 1 5 5 GLU N N 15 120.431 0.106 . 1 . . . A 5 GLU N . 18118 1 28 . 1 1 6 6 GLU H H 1 8.177 0.006 . 1 . . . A 6 GLU H . 18118 1 29 . 1 1 6 6 GLU HA H 1 4.191 0.006 . 1 . . . A 6 GLU HA . 18118 1 30 . 1 1 6 6 GLU HB2 H 1 1.967 0.006 . 2 . . . A 6 GLU HB2 . 18118 1 31 . 1 1 6 6 GLU HB3 H 1 1.856 0.006 . 2 . . . A 6 GLU HB3 . 18118 1 32 . 1 1 6 6 GLU HG2 H 1 2.157 0.006 . 2 . . . A 6 GLU HG2 . 18118 1 33 . 1 1 6 6 GLU CA C 13 53.842 0.166 . 1 . . . A 6 GLU CA . 18118 1 34 . 1 1 6 6 GLU CB C 13 27.723 0.166 . 1 . . . A 6 GLU CB . 18118 1 35 . 1 1 6 6 GLU CG C 13 33.755 0.166 . 1 . . . A 6 GLU CG . 18118 1 36 . 1 1 6 6 GLU N N 15 120.027 0.106 . 1 . . . A 6 GLU N . 18118 1 37 . 1 1 7 7 GLU H H 1 8.228 0.006 . 1 . . . A 7 GLU H . 18118 1 38 . 1 1 7 7 GLU HA H 1 4.191 0.006 . 1 . . . A 7 GLU HA . 18118 1 39 . 1 1 7 7 GLU HB2 H 1 1.966 0.006 . 2 . . . A 7 GLU HB2 . 18118 1 40 . 1 1 7 7 GLU HB3 H 1 1.853 0.006 . 2 . . . A 7 GLU HB3 . 18118 1 41 . 1 1 7 7 GLU HG2 H 1 2.172 0.006 . 2 . . . A 7 GLU QG . 18118 1 42 . 1 1 7 7 GLU HG3 H 1 2.172 0.006 . 2 . . . A 7 GLU QG . 18118 1 43 . 1 1 7 7 GLU CA C 13 53.679 0.166 . 1 . . . A 7 GLU CA . 18118 1 44 . 1 1 7 7 GLU CB C 13 27.548 0.166 . 1 . . . A 7 GLU CB . 18118 1 45 . 1 1 7 7 GLU CG C 13 33.738 0.166 . 1 . . . A 7 GLU CG . 18118 1 46 . 1 1 7 7 GLU N N 15 121.663 0.106 . 1 . . . A 7 GLU N . 18118 1 47 . 1 1 8 8 VAL H H 1 8.102 0.006 . 1 . . . A 8 VAL H . 18118 1 48 . 1 1 8 8 VAL HA H 1 4.086 0.006 . 1 . . . A 8 VAL HA . 18118 1 49 . 1 1 8 8 VAL HB H 1 1.994 0.006 . 1 . . . A 8 VAL HB . 18118 1 50 . 1 1 8 8 VAL HG11 H 1 0.832 0.006 . 2 . . . A 8 VAL QG1 . 18118 1 51 . 1 1 8 8 VAL HG12 H 1 0.832 0.006 . 2 . . . A 8 VAL QG1 . 18118 1 52 . 1 1 8 8 VAL HG13 H 1 0.832 0.006 . 2 . . . A 8 VAL QG1 . 18118 1 53 . 1 1 8 8 VAL HG21 H 1 0.814 0.006 . 2 . . . A 8 VAL QG2 . 18118 1 54 . 1 1 8 8 VAL HG22 H 1 0.814 0.006 . 2 . . . A 8 VAL QG2 . 18118 1 55 . 1 1 8 8 VAL HG23 H 1 0.814 0.006 . 2 . . . A 8 VAL QG2 . 18118 1 56 . 1 1 8 8 VAL CA C 13 59.139 0.166 . 1 . . . A 8 VAL CA . 18118 1 57 . 1 1 8 8 VAL CB C 13 30.700 0.166 . 1 . . . A 8 VAL CB . 18118 1 58 . 1 1 8 8 VAL CG1 C 13 18.713 0.166 . 2 . . . A 8 VAL CG1 . 18118 1 59 . 1 1 8 8 VAL CG2 C 13 17.780 0.166 . 2 . . . A 8 VAL CG2 . 18118 1 60 . 1 1 8 8 VAL N N 15 120.733 0.106 . 1 . . . A 8 VAL N . 18118 1 61 . 1 1 9 9 ASP H H 1 8.313 0.006 . 1 . . . A 9 ASP H . 18118 1 62 . 1 1 9 9 ASP HA H 1 4.557 0.006 . 1 . . . A 9 ASP HA . 18118 1 63 . 1 1 9 9 ASP HB2 H 1 2.455 0.006 . 2 . . . A 9 ASP HB2 . 18118 1 64 . 1 1 9 9 ASP HB3 H 1 2.581 0.006 . 2 . . . A 9 ASP HB3 . 18118 1 65 . 1 1 9 9 ASP CA C 13 51.180 0.166 . 1 . . . A 9 ASP CA . 18118 1 66 . 1 1 9 9 ASP CB C 13 38.781 0.166 . 1 . . . A 9 ASP CB . 18118 1 67 . 1 1 9 9 ASP N N 15 124.190 0.106 . 1 . . . A 9 ASP N . 18118 1 68 . 1 1 10 10 ASP H H 1 8.106 0.006 . 1 . . . A 10 ASP H . 18118 1 69 . 1 1 10 10 ASP HA H 1 4.379 0.006 . 1 . . . A 10 ASP HA . 18118 1 70 . 1 1 10 10 ASP HB2 H 1 2.404 0.006 . 2 . . . A 10 ASP HB2 . 18118 1 71 . 1 1 10 10 ASP HB3 H 1 2.309 0.006 . 2 . . . A 10 ASP HB3 . 18118 1 72 . 1 1 10 10 ASP CA C 13 51.555 0.166 . 1 . . . A 10 ASP CA . 18118 1 73 . 1 1 10 10 ASP CB C 13 39.138 0.166 . 1 . . . A 10 ASP CB . 18118 1 74 . 1 1 10 10 ASP N N 15 120.966 0.106 . 1 . . . A 10 ASP N . 18118 1 75 . 1 1 11 11 VAL H H 1 7.528 0.006 . 1 . . . A 11 VAL H . 18118 1 76 . 1 1 11 11 VAL HA H 1 3.919 0.006 . 1 . . . A 11 VAL HA . 18118 1 77 . 1 1 11 11 VAL HB H 1 1.680 0.006 . 1 . . . A 11 VAL HB . 18118 1 78 . 1 1 11 11 VAL HG11 H 1 0.699 0.006 . 1 . . . A 11 VAL QQG . 18118 1 79 . 1 1 11 11 VAL HG12 H 1 0.699 0.006 . 1 . . . A 11 VAL QQG . 18118 1 80 . 1 1 11 11 VAL HG13 H 1 0.699 0.006 . 1 . . . A 11 VAL QQG . 18118 1 81 . 1 1 11 11 VAL HG21 H 1 0.699 0.006 . 1 . . . A 11 VAL QQG . 18118 1 82 . 1 1 11 11 VAL HG22 H 1 0.699 0.006 . 1 . . . A 11 VAL QQG . 18118 1 83 . 1 1 11 11 VAL HG23 H 1 0.699 0.006 . 1 . . . A 11 VAL QQG . 18118 1 84 . 1 1 11 11 VAL CA C 13 58.721 0.166 . 1 . . . A 11 VAL CA . 18118 1 85 . 1 1 11 11 VAL CB C 13 31.300 0.166 . 1 . . . A 11 VAL CB . 18118 1 86 . 1 1 11 11 VAL CG1 C 13 18.531 0.166 . 2 . . . A 11 VAL CG1 . 18118 1 87 . 1 1 11 11 VAL CG2 C 13 18.531 0.166 . 2 . . . A 11 VAL CG2 . 18118 1 88 . 1 1 11 11 VAL N N 15 119.321 0.106 . 1 . . . A 11 VAL N . 18118 1 89 . 1 1 12 12 PHE H H 1 8.573 0.006 . 1 . . . A 12 PHE H . 18118 1 90 . 1 1 12 12 PHE HA H 1 4.586 0.006 . 1 . . . A 12 PHE HA . 18118 1 91 . 1 1 12 12 PHE HB2 H 1 2.649 0.006 . 2 . . . A 12 PHE QB . 18118 1 92 . 1 1 12 12 PHE HB3 H 1 2.649 0.006 . 2 . . . A 12 PHE QB . 18118 1 93 . 1 1 12 12 PHE HD1 H 1 7.004 0.006 . 3 . . . A 12 PHE QD . 18118 1 94 . 1 1 12 12 PHE HD2 H 1 7.004 0.006 . 3 . . . A 12 PHE QD . 18118 1 95 . 1 1 12 12 PHE CA C 13 53.764 0.166 . 1 . . . A 12 PHE CA . 18118 1 96 . 1 1 12 12 PHE CB C 13 37.698 0.166 . 1 . . . A 12 PHE CB . 18118 1 97 . 1 1 12 12 PHE CD1 C 13 127.330 0.166 . 3 . . . A 12 PHE CD1 . 18118 1 98 . 1 1 12 12 PHE CD2 C 13 127.328 0.166 . 3 . . . A 12 PHE CD2 . 18118 1 99 . 1 1 12 12 PHE N N 15 125.723 0.106 . 1 . . . A 12 PHE N . 18118 1 100 . 1 1 13 13 LEU H H 1 8.794 0.006 . 1 . . . A 13 LEU H . 18118 1 101 . 1 1 13 13 LEU HA H 1 5.232 0.006 . 1 . . . A 13 LEU HA . 18118 1 102 . 1 1 13 13 LEU HB2 H 1 1.241 0.006 . 2 . . . A 13 LEU HB2 . 18118 1 103 . 1 1 13 13 LEU HB3 H 1 1.426 0.006 . 2 . . . A 13 LEU HB3 . 18118 1 104 . 1 1 13 13 LEU HD11 H 1 0.714 0.006 . 1 . . . A 13 LEU QQD . 18118 1 105 . 1 1 13 13 LEU HD12 H 1 0.714 0.006 . 1 . . . A 13 LEU QQD . 18118 1 106 . 1 1 13 13 LEU HD13 H 1 0.714 0.006 . 1 . . . A 13 LEU QQD . 18118 1 107 . 1 1 13 13 LEU HD21 H 1 0.714 0.006 . 1 . . . A 13 LEU QQD . 18118 1 108 . 1 1 13 13 LEU HD22 H 1 0.714 0.006 . 1 . . . A 13 LEU QQD . 18118 1 109 . 1 1 13 13 LEU HD23 H 1 0.714 0.006 . 1 . . . A 13 LEU QQD . 18118 1 110 . 1 1 13 13 LEU CA C 13 51.361 0.166 . 1 . . . A 13 LEU CA . 18118 1 111 . 1 1 13 13 LEU CB C 13 44.651 0.166 . 1 . . . A 13 LEU CB . 18118 1 112 . 1 1 13 13 LEU CD1 C 13 23.630 0.166 . 2 . . . A 13 LEU CD1 . 18118 1 113 . 1 1 13 13 LEU CD2 C 13 23.634 0.166 . 2 . . . A 13 LEU CD2 . 18118 1 114 . 1 1 13 13 LEU N N 15 123.923 0.106 . 1 . . . A 13 LEU N . 18118 1 115 . 1 1 14 14 ILE H H 1 8.316 0.006 . 1 . . . A 14 ILE H . 18118 1 116 . 1 1 14 14 ILE HA H 1 4.891 0.006 . 1 . . . A 14 ILE HA . 18118 1 117 . 1 1 14 14 ILE HB H 1 1.645 0.006 . 1 . . . A 14 ILE HB . 18118 1 118 . 1 1 14 14 ILE HG12 H 1 0.821 0.006 . 2 . . . A 14 ILE HG12 . 18118 1 119 . 1 1 14 14 ILE HG13 H 1 1.068 0.006 . 2 . . . A 14 ILE HG13 . 18118 1 120 . 1 1 14 14 ILE HG21 H 1 0.648 0.006 . 1 . . . A 14 ILE QG2 . 18118 1 121 . 1 1 14 14 ILE HG22 H 1 0.648 0.006 . 1 . . . A 14 ILE QG2 . 18118 1 122 . 1 1 14 14 ILE HG23 H 1 0.648 0.006 . 1 . . . A 14 ILE QG2 . 18118 1 123 . 1 1 14 14 ILE HD11 H 1 0.300 0.006 . 1 . . . A 14 ILE QD1 . 18118 1 124 . 1 1 14 14 ILE HD12 H 1 0.300 0.006 . 1 . . . A 14 ILE QD1 . 18118 1 125 . 1 1 14 14 ILE HD13 H 1 0.300 0.006 . 1 . . . A 14 ILE QD1 . 18118 1 126 . 1 1 14 14 ILE CA C 13 55.381 0.166 . 1 . . . A 14 ILE CA . 18118 1 127 . 1 1 14 14 ILE CB C 13 39.318 0.166 . 1 . . . A 14 ILE CB . 18118 1 128 . 1 1 14 14 ILE CG1 C 13 24.154 0.166 . 1 . . . A 14 ILE CG1 . 18118 1 129 . 1 1 14 14 ILE CG2 C 13 17.372 0.166 . 1 . . . A 14 ILE CG2 . 18118 1 130 . 1 1 14 14 ILE CD1 C 13 12.048 0.166 . 1 . . . A 14 ILE CD1 . 18118 1 131 . 1 1 14 14 ILE N N 15 114.563 0.106 . 1 . . . A 14 ILE N . 18118 1 132 . 1 1 15 15 ARG H H 1 9.231 0.006 . 1 . . . A 15 ARG H . 18118 1 133 . 1 1 15 15 ARG HA H 1 5.334 0.006 . 1 . . . A 15 ARG HA . 18118 1 134 . 1 1 15 15 ARG HB2 H 1 1.440 0.006 . 2 . . . A 15 ARG HB2 . 18118 1 135 . 1 1 15 15 ARG HB3 H 1 1.706 0.006 . 2 . . . A 15 ARG HB3 . 18118 1 136 . 1 1 15 15 ARG HG2 H 1 1.459 0.006 . 2 . . . A 15 ARG HG2 . 18118 1 137 . 1 1 15 15 ARG HG3 H 1 1.310 0.006 . 2 . . . A 15 ARG HG3 . 18118 1 138 . 1 1 15 15 ARG HD2 H 1 3.058 0.006 . 2 . . . A 15 ARG QD . 18118 1 139 . 1 1 15 15 ARG HD3 H 1 3.058 0.006 . 2 . . . A 15 ARG QD . 18118 1 140 . 1 1 15 15 ARG CA C 13 51.293 0.166 . 1 . . . A 15 ARG CA . 18118 1 141 . 1 1 15 15 ARG CB C 13 31.850 0.166 . 1 . . . A 15 ARG CB . 18118 1 142 . 1 1 15 15 ARG CG C 13 25.523 0.166 . 1 . . . A 15 ARG CG . 18118 1 143 . 1 1 15 15 ARG CD C 13 41.028 0.166 . 1 . . . A 15 ARG CD . 18118 1 144 . 1 1 15 15 ARG N N 15 122.555 0.106 . 1 . . . A 15 ARG N . 18118 1 145 . 1 1 16 16 ALA H H 1 9.005 0.006 . 1 . . . A 16 ALA H . 18118 1 146 . 1 1 16 16 ALA HA H 1 5.696 0.006 . 1 . . . A 16 ALA HA . 18118 1 147 . 1 1 16 16 ALA HB1 H 1 1.217 0.006 . 1 . . . A 16 ALA QB . 18118 1 148 . 1 1 16 16 ALA HB2 H 1 1.217 0.006 . 1 . . . A 16 ALA QB . 18118 1 149 . 1 1 16 16 ALA HB3 H 1 1.217 0.006 . 1 . . . A 16 ALA QB . 18118 1 150 . 1 1 16 16 ALA CA C 13 46.775 0.166 . 1 . . . A 16 ALA CA . 18118 1 151 . 1 1 16 16 ALA CB C 13 18.337 0.166 . 1 . . . A 16 ALA CB . 18118 1 152 . 1 1 16 16 ALA N N 15 127.755 0.106 . 1 . . . A 16 ALA N . 18118 1 153 . 1 1 17 17 GLN H H 1 9.557 0.006 . 1 . . . A 17 GLN H . 18118 1 154 . 1 1 17 17 GLN HA H 1 5.135 0.006 . 1 . . . A 17 GLN HA . 18118 1 155 . 1 1 17 17 GLN HB2 H 1 1.993 0.006 . 2 . . . A 17 GLN HB2 . 18118 1 156 . 1 1 17 17 GLN HB3 H 1 2.116 0.006 . 2 . . . A 17 GLN HB3 . 18118 1 157 . 1 1 17 17 GLN HG2 H 1 2.377 0.006 . 2 . . . A 17 GLN HG2 . 18118 1 158 . 1 1 17 17 GLN HG3 H 1 2.254 0.006 . 2 . . . A 17 GLN HG3 . 18118 1 159 . 1 1 17 17 GLN HE21 H 1 6.828 0.006 . 2 . . . A 17 GLN HE21 . 18118 1 160 . 1 1 17 17 GLN HE22 H 1 7.574 0.006 . 2 . . . A 17 GLN HE22 . 18118 1 161 . 1 1 17 17 GLN CA C 13 51.832 0.166 . 1 . . . A 17 GLN CA . 18118 1 162 . 1 1 17 17 GLN CB C 13 30.738 0.166 . 1 . . . A 17 GLN CB . 18118 1 163 . 1 1 17 17 GLN CG C 13 32.023 0.166 . 1 . . . A 17 GLN CG . 18118 1 164 . 1 1 17 17 GLN N N 15 121.076 0.106 . 1 . . . A 17 GLN N . 18118 1 165 . 1 1 17 17 GLN NE2 N 15 111.738 0.106 . 1 . . . A 17 GLN NE2 . 18118 1 166 . 1 1 18 18 GLY H H 1 8.294 0.006 . 1 . . . A 18 GLY H . 18118 1 167 . 1 1 18 18 GLY HA2 H 1 4.490 0.006 . 2 . . . A 18 GLY HA2 . 18118 1 168 . 1 1 18 18 GLY HA3 H 1 3.600 0.006 . 2 . . . A 18 GLY HA3 . 18118 1 169 . 1 1 18 18 GLY CA C 13 42.822 0.166 . 1 . . . A 18 GLY CA . 18118 1 170 . 1 1 18 18 GLY N N 15 110.950 0.106 . 1 . . . A 18 GLY N . 18118 1 171 . 1 1 19 19 LEU H H 1 8.292 0.006 . 1 . . . A 19 LEU H . 18118 1 172 . 1 1 19 19 LEU HA H 1 4.032 0.006 . 1 . . . A 19 LEU HA . 18118 1 173 . 1 1 19 19 LEU HB2 H 1 1.323 0.006 . 2 . . . A 19 LEU HB2 . 18118 1 174 . 1 1 19 19 LEU HB3 H 1 1.530 0.006 . 2 . . . A 19 LEU HB3 . 18118 1 175 . 1 1 19 19 LEU HG H 1 1.501 0.006 . 1 . . . A 19 LEU HG . 18118 1 176 . 1 1 19 19 LEU HD11 H 1 0.708 0.006 . 2 . . . A 19 LEU QD1 . 18118 1 177 . 1 1 19 19 LEU HD12 H 1 0.708 0.006 . 2 . . . A 19 LEU QD1 . 18118 1 178 . 1 1 19 19 LEU HD13 H 1 0.708 0.006 . 2 . . . A 19 LEU QD1 . 18118 1 179 . 1 1 19 19 LEU HD21 H 1 0.580 0.006 . 2 . . . A 19 LEU QD2 . 18118 1 180 . 1 1 19 19 LEU HD22 H 1 0.580 0.006 . 2 . . . A 19 LEU QD2 . 18118 1 181 . 1 1 19 19 LEU HD23 H 1 0.580 0.006 . 2 . . . A 19 LEU QD2 . 18118 1 182 . 1 1 19 19 LEU CA C 13 50.705 0.166 . 1 . . . A 19 LEU CA . 18118 1 183 . 1 1 19 19 LEU CB C 13 37.568 0.166 . 1 . . . A 19 LEU CB . 18118 1 184 . 1 1 19 19 LEU CG C 13 24.643 0.166 . 1 . . . A 19 LEU CG . 18118 1 185 . 1 1 19 19 LEU CD1 C 13 24.042 0.166 . 2 . . . A 19 LEU CD1 . 18118 1 186 . 1 1 19 19 LEU CD2 C 13 21.048 0.166 . 2 . . . A 19 LEU CD2 . 18118 1 187 . 1 1 19 19 LEU N N 15 118.809 0.106 . 1 . . . A 19 LEU N . 18118 1 188 . 1 1 20 20 PRO HA H 1 4.292 0.006 . 1 . . . A 20 PRO HA . 18118 1 189 . 1 1 20 20 PRO HG2 H 1 1.910 0.006 . 2 . . . A 20 PRO QG . 18118 1 190 . 1 1 20 20 PRO HG3 H 1 1.910 0.006 . 2 . . . A 20 PRO QG . 18118 1 191 . 1 1 20 20 PRO HD2 H 1 3.371 0.006 . 2 . . . A 20 PRO HD2 . 18118 1 192 . 1 1 20 20 PRO HD3 H 1 3.607 0.006 . 2 . . . A 20 PRO HD3 . 18118 1 193 . 1 1 20 20 PRO CA C 13 60.101 0.166 . 1 . . . A 20 PRO CA . 18118 1 194 . 1 1 20 20 PRO CB C 13 29.199 0.166 . 1 . . . A 20 PRO CB . 18118 1 195 . 1 1 20 20 PRO CG C 13 25.272 0.166 . 1 . . . A 20 PRO CG . 18118 1 196 . 1 1 20 20 PRO CD C 13 47.848 0.166 . 1 . . . A 20 PRO CD . 18118 1 197 . 1 1 21 21 TRP H H 1 8.527 0.006 . 1 . . . A 21 TRP H . 18118 1 198 . 1 1 21 21 TRP HA H 1 4.690 0.006 . 1 . . . A 21 TRP HA . 18118 1 199 . 1 1 21 21 TRP HB2 H 1 3.178 0.006 . 2 . . . A 21 TRP HB2 . 18118 1 200 . 1 1 21 21 TRP HD1 H 1 7.127 0.006 . 1 . . . A 21 TRP HD1 . 18118 1 201 . 1 1 21 21 TRP HE1 H 1 10.006 0.006 . 1 . . . A 21 TRP HE1 . 18118 1 202 . 1 1 21 21 TRP HZ2 H 1 7.428 0.006 . 1 . . . A 21 TRP HZ2 . 18118 1 203 . 1 1 21 21 TRP CA C 13 56.237 0.166 . 1 . . . A 21 TRP CA . 18118 1 204 . 1 1 21 21 TRP CB C 13 25.965 0.166 . 1 . . . A 21 TRP CB . 18118 1 205 . 1 1 21 21 TRP CD1 C 13 121.444 0.166 . 1 . . . A 21 TRP CD1 . 18118 1 206 . 1 1 21 21 TRP CZ2 C 13 116.076 0.166 . 1 . . . A 21 TRP CZ2 . 18118 1 207 . 1 1 21 21 TRP N N 15 124.383 0.106 . 1 . . . A 21 TRP N . 18118 1 208 . 1 1 21 21 TRP NE1 N 15 128.859 0.106 . 1 . . . A 21 TRP NE1 . 18118 1 209 . 1 1 22 22 SER H H 1 7.436 0.006 . 1 . . . A 22 SER H . 18118 1 210 . 1 1 22 22 SER HA H 1 4.099 0.006 . 1 . . . A 22 SER HA . 18118 1 211 . 1 1 22 22 SER HB2 H 1 3.132 0.006 . 2 . . . A 22 SER HB2 . 18118 1 212 . 1 1 22 22 SER HB3 H 1 3.754 0.006 . 2 . . . A 22 SER HB3 . 18118 1 213 . 1 1 22 22 SER CA C 13 54.162 0.166 . 1 . . . A 22 SER CA . 18118 1 214 . 1 1 22 22 SER CB C 13 60.334 0.166 . 1 . . . A 22 SER CB . 18118 1 215 . 1 1 22 22 SER N N 15 109.532 0.106 . 1 . . . A 22 SER N . 18118 1 216 . 1 1 23 23 CYS H H 1 7.221 0.006 . 1 . . . A 23 CYS H . 18118 1 217 . 1 1 23 23 CYS HA H 1 4.466 0.006 . 1 . . . A 23 CYS HA . 18118 1 218 . 1 1 23 23 CYS HB2 H 1 3.120 0.006 . 2 . . . A 23 CYS HB2 . 18118 1 219 . 1 1 23 23 CYS HB3 H 1 2.705 0.006 . 2 . . . A 23 CYS HB3 . 18118 1 220 . 1 1 23 23 CYS CA C 13 55.975 0.166 . 1 . . . A 23 CYS CA . 18118 1 221 . 1 1 23 23 CYS CB C 13 25.489 0.166 . 1 . . . A 23 CYS CB . 18118 1 222 . 1 1 23 23 CYS N N 15 119.744 0.106 . 1 . . . A 23 CYS N . 18118 1 223 . 1 1 24 24 THR H H 1 9.082 0.006 . 1 . . . A 24 THR H . 18118 1 224 . 1 1 24 24 THR HA H 1 4.697 0.006 . 1 . . . A 24 THR HA . 18118 1 225 . 1 1 24 24 THR HG21 H 1 1.238 0.006 . 1 . . . A 24 THR QG2 . 18118 1 226 . 1 1 24 24 THR HG22 H 1 1.238 0.006 . 1 . . . A 24 THR QG2 . 18118 1 227 . 1 1 24 24 THR HG23 H 1 1.238 0.006 . 1 . . . A 24 THR QG2 . 18118 1 228 . 1 1 24 24 THR CA C 13 57.172 0.166 . 1 . . . A 24 THR CA . 18118 1 229 . 1 1 24 24 THR CG2 C 13 19.217 0.166 . 1 . . . A 24 THR CG2 . 18118 1 230 . 1 1 24 24 THR N N 15 115.371 0.106 . 1 . . . A 24 THR N . 18118 1 231 . 1 1 25 25 MET H H 1 8.794 0.006 . 1 . . . A 25 MET H . 18118 1 232 . 1 1 25 25 MET HA H 1 4.161 0.006 . 1 . . . A 25 MET HA . 18118 1 233 . 1 1 25 25 MET HB2 H 1 2.239 0.006 . 2 . . . A 25 MET HB2 . 18118 1 234 . 1 1 25 25 MET HB3 H 1 1.850 0.006 . 2 . . . A 25 MET HB3 . 18118 1 235 . 1 1 25 25 MET HG3 H 1 2.716 0.006 . 2 . . . A 25 MET HG3 . 18118 1 236 . 1 1 25 25 MET HE1 H 1 2.140 0.006 . 1 . . . A 25 MET QE . 18118 1 237 . 1 1 25 25 MET HE2 H 1 2.140 0.006 . 1 . . . A 25 MET QE . 18118 1 238 . 1 1 25 25 MET HE3 H 1 2.140 0.006 . 1 . . . A 25 MET QE . 18118 1 239 . 1 1 25 25 MET CA C 13 57.241 0.166 . 1 . . . A 25 MET CA . 18118 1 240 . 1 1 25 25 MET CB C 13 29.452 0.166 . 1 . . . A 25 MET CB . 18118 1 241 . 1 1 25 25 MET CG C 13 30.664 0.166 . 1 . . . A 25 MET CG . 18118 1 242 . 1 1 25 25 MET CE C 13 15.532 0.166 . 1 . . . A 25 MET CE . 18118 1 243 . 1 1 25 25 MET N N 15 118.539 0.106 . 1 . . . A 25 MET N . 18118 1 244 . 1 1 26 26 GLU H H 1 8.462 0.006 . 1 . . . A 26 GLU H . 18118 1 245 . 1 1 26 26 GLU HA H 1 3.802 0.006 . 1 . . . A 26 GLU HA . 18118 1 246 . 1 1 26 26 GLU HB2 H 1 1.842 0.006 . 2 . . . A 26 GLU HB2 . 18118 1 247 . 1 1 26 26 GLU HB3 H 1 1.978 0.006 . 2 . . . A 26 GLU HB3 . 18118 1 248 . 1 1 26 26 GLU HG2 H 1 2.227 0.006 . 2 . . . A 26 GLU HG2 . 18118 1 249 . 1 1 26 26 GLU HG3 H 1 2.191 0.006 . 2 . . . A 26 GLU HG3 . 18118 1 250 . 1 1 26 26 GLU CA C 13 57.247 0.166 . 1 . . . A 26 GLU CA . 18118 1 251 . 1 1 26 26 GLU CB C 13 26.663 0.166 . 1 . . . A 26 GLU CB . 18118 1 252 . 1 1 26 26 GLU CG C 13 34.120 0.166 . 1 . . . A 26 GLU CG . 18118 1 253 . 1 1 26 26 GLU N N 15 118.967 0.106 . 1 . . . A 26 GLU N . 18118 1 254 . 1 1 27 27 ASP H H 1 7.812 0.006 . 1 . . . A 27 ASP H . 18118 1 255 . 1 1 27 27 ASP HA H 1 4.299 0.006 . 1 . . . A 27 ASP HA . 18118 1 256 . 1 1 27 27 ASP HB2 H 1 3.124 0.006 . 2 . . . A 27 ASP HB2 . 18118 1 257 . 1 1 27 27 ASP HB3 H 1 2.559 0.006 . 2 . . . A 27 ASP HB3 . 18118 1 258 . 1 1 27 27 ASP CA C 13 55.071 0.166 . 1 . . . A 27 ASP CA . 18118 1 259 . 1 1 27 27 ASP CB C 13 38.656 0.166 . 1 . . . A 27 ASP CB . 18118 1 260 . 1 1 27 27 ASP N N 15 118.711 0.106 . 1 . . . A 27 ASP N . 18118 1 261 . 1 1 28 28 VAL H H 1 7.528 0.006 . 1 . . . A 28 VAL H . 18118 1 262 . 1 1 28 28 VAL HA H 1 3.444 0.006 . 1 . . . A 28 VAL HA . 18118 1 263 . 1 1 28 28 VAL HB H 1 2.323 0.006 . 1 . . . A 28 VAL HB . 18118 1 264 . 1 1 28 28 VAL HG11 H 1 0.903 0.006 . 2 . . . A 28 VAL QG1 . 18118 1 265 . 1 1 28 28 VAL HG12 H 1 0.903 0.006 . 2 . . . A 28 VAL QG1 . 18118 1 266 . 1 1 28 28 VAL HG13 H 1 0.903 0.006 . 2 . . . A 28 VAL QG1 . 18118 1 267 . 1 1 28 28 VAL HG21 H 1 1.039 0.006 . 2 . . . A 28 VAL QG2 . 18118 1 268 . 1 1 28 28 VAL HG22 H 1 1.039 0.006 . 2 . . . A 28 VAL QG2 . 18118 1 269 . 1 1 28 28 VAL HG23 H 1 1.039 0.006 . 2 . . . A 28 VAL QG2 . 18118 1 270 . 1 1 28 28 VAL CA C 13 64.841 0.166 . 1 . . . A 28 VAL CA . 18118 1 271 . 1 1 28 28 VAL CB C 13 29.052 0.166 . 1 . . . A 28 VAL CB . 18118 1 272 . 1 1 28 28 VAL CG1 C 13 20.340 0.166 . 2 . . . A 28 VAL CG1 . 18118 1 273 . 1 1 28 28 VAL CG2 C 13 21.535 0.166 . 2 . . . A 28 VAL CG2 . 18118 1 274 . 1 1 28 28 VAL N N 15 120.825 0.106 . 1 . . . A 28 VAL N . 18118 1 275 . 1 1 29 29 LEU H H 1 8.399 0.006 . 1 . . . A 29 LEU H . 18118 1 276 . 1 1 29 29 LEU HA H 1 3.778 0.006 . 1 . . . A 29 LEU HA . 18118 1 277 . 1 1 29 29 LEU HB2 H 1 1.378 0.006 . 2 . . . A 29 LEU HB2 . 18118 1 278 . 1 1 29 29 LEU HB3 H 1 1.764 0.006 . 2 . . . A 29 LEU HB3 . 18118 1 279 . 1 1 29 29 LEU HG H 1 1.540 0.006 . 1 . . . A 29 LEU HG . 18118 1 280 . 1 1 29 29 LEU HD11 H 1 0.711 0.006 . 1 . . . A 29 LEU QQD . 18118 1 281 . 1 1 29 29 LEU HD12 H 1 0.711 0.006 . 1 . . . A 29 LEU QQD . 18118 1 282 . 1 1 29 29 LEU HD13 H 1 0.711 0.006 . 1 . . . A 29 LEU QQD . 18118 1 283 . 1 1 29 29 LEU HD21 H 1 0.711 0.006 . 1 . . . A 29 LEU QQD . 18118 1 284 . 1 1 29 29 LEU HD22 H 1 0.711 0.006 . 1 . . . A 29 LEU QQD . 18118 1 285 . 1 1 29 29 LEU HD23 H 1 0.711 0.006 . 1 . . . A 29 LEU QQD . 18118 1 286 . 1 1 29 29 LEU CA C 13 55.982 0.166 . 1 . . . A 29 LEU CA . 18118 1 287 . 1 1 29 29 LEU CB C 13 38.954 0.166 . 1 . . . A 29 LEU CB . 18118 1 288 . 1 1 29 29 LEU CG C 13 24.419 0.166 . 1 . . . A 29 LEU CG . 18118 1 289 . 1 1 29 29 LEU CD1 C 13 21.410 0.166 . 2 . . . A 29 LEU CD1 . 18118 1 290 . 1 1 29 29 LEU CD2 C 13 21.407 0.166 . 2 . . . A 29 LEU CD2 . 18118 1 291 . 1 1 29 29 LEU N N 15 120.586 0.106 . 1 . . . A 29 LEU N . 18118 1 292 . 1 1 30 30 ASN H H 1 8.156 0.006 . 1 . . . A 30 ASN H . 18118 1 293 . 1 1 30 30 ASN HA H 1 4.398 0.006 . 1 . . . A 30 ASN HA . 18118 1 294 . 1 1 30 30 ASN HB2 H 1 2.729 0.006 . 2 . . . A 30 ASN HB2 . 18118 1 295 . 1 1 30 30 ASN HB3 H 1 2.811 0.006 . 2 . . . A 30 ASN HB3 . 18118 1 296 . 1 1 30 30 ASN HD21 H 1 6.972 0.006 . 2 . . . A 30 ASN HD21 . 18118 1 297 . 1 1 30 30 ASN HD22 H 1 7.588 0.006 . 2 . . . A 30 ASN HD22 . 18118 1 298 . 1 1 30 30 ASN CA C 13 52.480 0.166 . 1 . . . A 30 ASN CA . 18118 1 299 . 1 1 30 30 ASN CB C 13 36.132 0.166 . 1 . . . A 30 ASN CB . 18118 1 300 . 1 1 30 30 ASN N N 15 114.059 0.106 . 1 . . . A 30 ASN N . 18118 1 301 . 1 1 30 30 ASN ND2 N 15 112.833 0.106 . 1 . . . A 30 ASN ND2 . 18118 1 302 . 1 1 31 31 PHE H H 1 8.033 0.006 . 1 . . . A 31 PHE H . 18118 1 303 . 1 1 31 31 PHE HA H 1 4.127 0.006 . 1 . . . A 31 PHE HA . 18118 1 304 . 1 1 31 31 PHE HB2 H 1 3.064 0.006 . 2 . . . A 31 PHE HB2 . 18118 1 305 . 1 1 31 31 PHE HB3 H 1 2.682 0.006 . 2 . . . A 31 PHE HB3 . 18118 1 306 . 1 1 31 31 PHE HD1 H 1 6.186 0.006 . 3 . . . A 31 PHE QD . 18118 1 307 . 1 1 31 31 PHE HD2 H 1 6.186 0.006 . 3 . . . A 31 PHE QD . 18118 1 308 . 1 1 31 31 PHE HE1 H 1 6.617 0.006 . 3 . . . A 31 PHE QE . 18118 1 309 . 1 1 31 31 PHE HE2 H 1 6.617 0.006 . 3 . . . A 31 PHE QE . 18118 1 310 . 1 1 31 31 PHE HZ H 1 6.941 0.006 . 1 . . . A 31 PHE HZ . 18118 1 311 . 1 1 31 31 PHE CA C 13 58.819 0.166 . 1 . . . A 31 PHE CA . 18118 1 312 . 1 1 31 31 PHE CB C 13 37.176 0.166 . 1 . . . A 31 PHE CB . 18118 1 313 . 1 1 31 31 PHE CD1 C 13 126.490 0.166 . 3 . . . A 31 PHE CD1 . 18118 1 314 . 1 1 31 31 PHE CD2 C 13 126.485 0.166 . 3 . . . A 31 PHE CD2 . 18118 1 315 . 1 1 31 31 PHE CE1 C 13 126.180 0.166 . 3 . . . A 31 PHE CE1 . 18118 1 316 . 1 1 31 31 PHE CE2 C 13 126.176 0.166 . 3 . . . A 31 PHE CE2 . 18118 1 317 . 1 1 31 31 PHE CZ C 13 125.262 0.166 . 1 . . . A 31 PHE CZ . 18118 1 318 . 1 1 31 31 PHE N N 15 123.816 0.106 . 1 . . . A 31 PHE N . 18118 1 319 . 1 1 32 32 PHE H H 1 7.622 0.006 . 1 . . . A 32 PHE H . 18118 1 320 . 1 1 32 32 PHE HA H 1 4.653 0.006 . 1 . . . A 32 PHE HA . 18118 1 321 . 1 1 32 32 PHE HB2 H 1 3.348 0.006 . 2 . . . A 32 PHE HB2 . 18118 1 322 . 1 1 32 32 PHE HB3 H 1 2.613 0.006 . 2 . . . A 32 PHE HB3 . 18118 1 323 . 1 1 32 32 PHE HD1 H 1 7.288 0.006 . 3 . . . A 32 PHE QD . 18118 1 324 . 1 1 32 32 PHE HD2 H 1 7.288 0.006 . 3 . . . A 32 PHE QD . 18118 1 325 . 1 1 32 32 PHE HE1 H 1 7.079 0.006 . 3 . . . A 32 PHE QE . 18118 1 326 . 1 1 32 32 PHE HE2 H 1 7.079 0.006 . 3 . . . A 32 PHE QE . 18118 1 327 . 1 1 32 32 PHE CA C 13 54.039 0.166 . 1 . . . A 32 PHE CA . 18118 1 328 . 1 1 32 32 PHE CB C 13 35.047 0.166 . 1 . . . A 32 PHE CB . 18118 1 329 . 1 1 32 32 PHE CD1 C 13 127.280 0.166 . 3 . . . A 32 PHE CD1 . 18118 1 330 . 1 1 32 32 PHE CD2 C 13 127.282 0.166 . 3 . . . A 32 PHE CD2 . 18118 1 331 . 1 1 32 32 PHE CE1 C 13 125.950 0.166 . 3 . . . A 32 PHE CE1 . 18118 1 332 . 1 1 32 32 PHE CE2 C 13 125.954 0.166 . 3 . . . A 32 PHE CE2 . 18118 1 333 . 1 1 32 32 PHE N N 15 115.681 0.106 . 1 . . . A 32 PHE N . 18118 1 334 . 1 1 33 33 SER H H 1 6.834 0.006 . 1 . . . A 33 SER H . 18118 1 335 . 1 1 33 33 SER HA H 1 4.111 0.006 . 1 . . . A 33 SER HA . 18118 1 336 . 1 1 33 33 SER HB2 H 1 4.166 0.006 . 2 . . . A 33 SER HB2 . 18118 1 337 . 1 1 33 33 SER HB3 H 1 3.946 0.006 . 2 . . . A 33 SER HB3 . 18118 1 338 . 1 1 33 33 SER CA C 13 59.041 0.166 . 1 . . . A 33 SER CA . 18118 1 339 . 1 1 33 33 SER CB C 13 60.339 0.166 . 1 . . . A 33 SER CB . 18118 1 340 . 1 1 33 33 SER N N 15 113.797 0.106 . 1 . . . A 33 SER N . 18118 1 341 . 1 1 34 34 ASP H H 1 8.717 0.006 . 1 . . . A 34 ASP H . 18118 1 342 . 1 1 34 34 ASP HA H 1 4.581 0.006 . 1 . . . A 34 ASP HA . 18118 1 343 . 1 1 34 34 ASP HB2 H 1 2.671 0.006 . 2 . . . A 34 ASP QB . 18118 1 344 . 1 1 34 34 ASP HB3 H 1 2.671 0.006 . 2 . . . A 34 ASP QB . 18118 1 345 . 1 1 34 34 ASP CA C 13 51.606 0.166 . 1 . . . A 34 ASP CA . 18118 1 346 . 1 1 34 34 ASP CB C 13 37.727 0.166 . 1 . . . A 34 ASP CB . 18118 1 347 . 1 1 34 34 ASP N N 15 119.155 0.106 . 1 . . . A 34 ASP N . 18118 1 348 . 1 1 35 35 CYS H H 1 8.009 0.006 . 1 . . . A 35 CYS H . 18118 1 349 . 1 1 35 35 CYS HA H 1 4.508 0.006 . 1 . . . A 35 CYS HA . 18118 1 350 . 1 1 35 35 CYS HB2 H 1 2.918 0.006 . 2 . . . A 35 CYS HB2 . 18118 1 351 . 1 1 35 35 CYS HB3 H 1 2.660 0.006 . 2 . . . A 35 CYS HB3 . 18118 1 352 . 1 1 35 35 CYS CA C 13 54.961 0.166 . 1 . . . A 35 CYS CA . 18118 1 353 . 1 1 35 35 CYS CB C 13 27.986 0.166 . 1 . . . A 35 CYS CB . 18118 1 354 . 1 1 35 35 CYS N N 15 117.269 0.106 . 1 . . . A 35 CYS N . 18118 1 355 . 1 1 36 36 ARG H H 1 8.666 0.006 . 1 . . . A 36 ARG H . 18118 1 356 . 1 1 36 36 ARG HA H 1 4.289 0.006 . 1 . . . A 36 ARG HA . 18118 1 357 . 1 1 36 36 ARG HB2 H 1 1.814 0.006 . 2 . . . A 36 ARG HB2 . 18118 1 358 . 1 1 36 36 ARG HB3 H 1 1.459 0.006 . 2 . . . A 36 ARG HB3 . 18118 1 359 . 1 1 36 36 ARG HG2 H 1 1.869 0.006 . 2 . . . A 36 ARG HG2 . 18118 1 360 . 1 1 36 36 ARG HG3 H 1 2.018 0.006 . 2 . . . A 36 ARG HG3 . 18118 1 361 . 1 1 36 36 ARG HD2 H 1 3.113 0.006 . 2 . . . A 36 ARG QD . 18118 1 362 . 1 1 36 36 ARG HD3 H 1 3.113 0.006 . 2 . . . A 36 ARG QD . 18118 1 363 . 1 1 36 36 ARG CA C 13 52.728 0.166 . 1 . . . A 36 ARG CA . 18118 1 364 . 1 1 36 36 ARG CB C 13 26.279 0.166 . 1 . . . A 36 ARG CB . 18118 1 365 . 1 1 36 36 ARG CG C 13 28.146 0.166 . 1 . . . A 36 ARG CG . 18118 1 366 . 1 1 36 36 ARG CD C 13 40.844 0.166 . 1 . . . A 36 ARG CD . 18118 1 367 . 1 1 36 36 ARG N N 15 123.980 0.106 . 1 . . . A 36 ARG N . 18118 1 368 . 1 1 37 37 ILE H H 1 8.084 0.006 . 1 . . . A 37 ILE H . 18118 1 369 . 1 1 37 37 ILE HA H 1 4.211 0.006 . 1 . . . A 37 ILE HA . 18118 1 370 . 1 1 37 37 ILE HB H 1 1.437 0.006 . 1 . . . A 37 ILE HB . 18118 1 371 . 1 1 37 37 ILE HG12 H 1 1.344 0.006 . 2 . . . A 37 ILE HG12 . 18118 1 372 . 1 1 37 37 ILE HG13 H 1 0.656 0.006 . 2 . . . A 37 ILE HG13 . 18118 1 373 . 1 1 37 37 ILE HG21 H 1 0.764 0.006 . 1 . . . A 37 ILE QG2 . 18118 1 374 . 1 1 37 37 ILE HG22 H 1 0.764 0.006 . 1 . . . A 37 ILE QG2 . 18118 1 375 . 1 1 37 37 ILE HG23 H 1 0.764 0.006 . 1 . . . A 37 ILE QG2 . 18118 1 376 . 1 1 37 37 ILE HD11 H 1 0.653 0.006 . 1 . . . A 37 ILE QD1 . 18118 1 377 . 1 1 37 37 ILE HD12 H 1 0.653 0.006 . 1 . . . A 37 ILE QD1 . 18118 1 378 . 1 1 37 37 ILE HD13 H 1 0.653 0.006 . 1 . . . A 37 ILE QD1 . 18118 1 379 . 1 1 37 37 ILE CA C 13 58.579 0.166 . 1 . . . A 37 ILE CA . 18118 1 380 . 1 1 37 37 ILE CB C 13 36.026 0.166 . 1 . . . A 37 ILE CB . 18118 1 381 . 1 1 37 37 ILE CG1 C 13 26.477 0.166 . 1 . . . A 37 ILE CG1 . 18118 1 382 . 1 1 37 37 ILE CG2 C 13 14.290 0.166 . 1 . . . A 37 ILE CG2 . 18118 1 383 . 1 1 37 37 ILE CD1 C 13 11.438 0.166 . 1 . . . A 37 ILE CD1 . 18118 1 384 . 1 1 37 37 ILE N N 15 128.014 0.106 . 1 . . . A 37 ILE N . 18118 1 385 . 1 1 38 38 ARG H H 1 8.662 0.006 . 1 . . . A 38 ARG H . 18118 1 386 . 1 1 38 38 ARG HA H 1 3.845 0.006 . 1 . . . A 38 ARG HA . 18118 1 387 . 1 1 38 38 ARG HB2 H 1 1.038 0.006 . 2 . . . A 38 ARG HB2 . 18118 1 388 . 1 1 38 38 ARG HB3 H 1 1.543 0.006 . 2 . . . A 38 ARG HB3 . 18118 1 389 . 1 1 38 38 ARG HG2 H 1 1.443 0.006 . 2 . . . A 38 ARG QG . 18118 1 390 . 1 1 38 38 ARG HG3 H 1 1.443 0.006 . 2 . . . A 38 ARG QG . 18118 1 391 . 1 1 38 38 ARG HD2 H 1 3.157 0.006 . 2 . . . A 38 ARG QD . 18118 1 392 . 1 1 38 38 ARG HD3 H 1 3.157 0.006 . 2 . . . A 38 ARG QD . 18118 1 393 . 1 1 38 38 ARG CA C 13 54.767 0.166 . 1 . . . A 38 ARG CA . 18118 1 394 . 1 1 38 38 ARG CB C 13 27.829 0.166 . 1 . . . A 38 ARG CB . 18118 1 395 . 1 1 38 38 ARG CG C 13 24.246 0.166 . 1 . . . A 38 ARG CG . 18118 1 396 . 1 1 38 38 ARG CD C 13 41.041 0.166 . 1 . . . A 38 ARG CD . 18118 1 397 . 1 1 38 38 ARG N N 15 133.264 0.106 . 1 . . . A 38 ARG N . 18118 1 398 . 1 1 39 39 ASN H H 1 8.992 0.006 . 1 . . . A 39 ASN H . 18118 1 399 . 1 1 39 39 ASN HA H 1 4.182 0.006 . 1 . . . A 39 ASN HA . 18118 1 400 . 1 1 39 39 ASN HB2 H 1 2.806 0.006 . 2 . . . A 39 ASN HB2 . 18118 1 401 . 1 1 39 39 ASN HB3 H 1 2.864 0.006 . 2 . . . A 39 ASN HB3 . 18118 1 402 . 1 1 39 39 ASN HD21 H 1 7.689 0.006 . 2 . . . A 39 ASN HD21 . 18118 1 403 . 1 1 39 39 ASN HD22 H 1 6.877 0.006 . 2 . . . A 39 ASN HD22 . 18118 1 404 . 1 1 39 39 ASN CA C 13 51.702 0.166 . 1 . . . A 39 ASN CA . 18118 1 405 . 1 1 39 39 ASN CB C 13 34.846 0.166 . 1 . . . A 39 ASN CB . 18118 1 406 . 1 1 39 39 ASN N N 15 117.723 0.106 . 1 . . . A 39 ASN N . 18118 1 407 . 1 1 39 39 ASN ND2 N 15 115.141 0.106 . 1 . . . A 39 ASN ND2 . 18118 1 408 . 1 1 40 40 GLY H H 1 7.949 0.006 . 1 . . . A 40 GLY H . 18118 1 409 . 1 1 40 40 GLY HA2 H 1 3.769 0.006 . 2 . . . A 40 GLY HA2 . 18118 1 410 . 1 1 40 40 GLY HA3 H 1 3.390 0.006 . 2 . . . A 40 GLY HA3 . 18118 1 411 . 1 1 40 40 GLY CA C 13 44.283 0.166 . 1 . . . A 40 GLY CA . 18118 1 412 . 1 1 40 40 GLY N N 15 108.314 0.106 . 1 . . . A 40 GLY N . 18118 1 413 . 1 1 41 41 GLU H H 1 9.235 0.006 . 1 . . . A 41 GLU H . 18118 1 414 . 1 1 41 41 GLU HA H 1 3.812 0.006 . 1 . . . A 41 GLU HA . 18118 1 415 . 1 1 41 41 GLU HB2 H 1 2.020 0.006 . 2 . . . A 41 GLU QB . 18118 1 416 . 1 1 41 41 GLU HB3 H 1 2.020 0.006 . 2 . . . A 41 GLU QB . 18118 1 417 . 1 1 41 41 GLU HG2 H 1 2.177 0.006 . 2 . . . A 41 GLU QG . 18118 1 418 . 1 1 41 41 GLU HG3 H 1 2.177 0.006 . 2 . . . A 41 GLU QG . 18118 1 419 . 1 1 41 41 GLU CA C 13 56.741 0.166 . 1 . . . A 41 GLU CA . 18118 1 420 . 1 1 41 41 GLU CB C 13 26.718 0.166 . 1 . . . A 41 GLU CB . 18118 1 421 . 1 1 41 41 GLU CG C 13 33.621 0.166 . 1 . . . A 41 GLU CG . 18118 1 422 . 1 1 41 41 GLU N N 15 124.398 0.106 . 1 . . . A 41 GLU N . 18118 1 423 . 1 1 42 42 ASN H H 1 7.523 0.006 . 1 . . . A 42 ASN H . 18118 1 424 . 1 1 42 42 ASN HA H 1 4.507 0.006 . 1 . . . A 42 ASN HA . 18118 1 425 . 1 1 42 42 ASN HB2 H 1 2.680 0.006 . 2 . . . A 42 ASN HB2 . 18118 1 426 . 1 1 42 42 ASN HB3 H 1 2.822 0.006 . 2 . . . A 42 ASN HB3 . 18118 1 427 . 1 1 42 42 ASN HD21 H 1 7.601 0.006 . 2 . . . A 42 ASN HD21 . 18118 1 428 . 1 1 42 42 ASN HD22 H 1 7.060 0.006 . 2 . . . A 42 ASN HD22 . 18118 1 429 . 1 1 42 42 ASN CA C 13 51.901 0.166 . 1 . . . A 42 ASN CA . 18118 1 430 . 1 1 42 42 ASN CB C 13 36.065 0.166 . 1 . . . A 42 ASN CB . 18118 1 431 . 1 1 42 42 ASN N N 15 113.155 0.106 . 1 . . . A 42 ASN N . 18118 1 432 . 1 1 42 42 ASN ND2 N 15 113.782 0.106 . 1 . . . A 42 ASN ND2 . 18118 1 433 . 1 1 43 43 GLY H H 1 8.131 0.006 . 1 . . . A 43 GLY H . 18118 1 434 . 1 1 43 43 GLY HA2 H 1 4.057 0.006 . 2 . . . A 43 GLY HA2 . 18118 1 435 . 1 1 43 43 GLY HA3 H 1 4.204 0.006 . 2 . . . A 43 GLY HA3 . 18118 1 436 . 1 1 43 43 GLY CA C 13 42.561 0.166 . 1 . . . A 43 GLY CA . 18118 1 437 . 1 1 43 43 GLY N N 15 109.898 0.106 . 1 . . . A 43 GLY N . 18118 1 438 . 1 1 44 44 ILE H H 1 6.715 0.006 . 1 . . . A 44 ILE H . 18118 1 439 . 1 1 44 44 ILE HA H 1 3.777 0.006 . 1 . . . A 44 ILE HA . 18118 1 440 . 1 1 44 44 ILE HB H 1 1.706 0.006 . 1 . . . A 44 ILE HB . 18118 1 441 . 1 1 44 44 ILE HG12 H 1 0.511 0.006 . 2 . . . A 44 ILE HG12 . 18118 1 442 . 1 1 44 44 ILE HG13 H 1 1.527 0.006 . 2 . . . A 44 ILE HG13 . 18118 1 443 . 1 1 44 44 ILE HG21 H 1 0.124 0.006 . 1 . . . A 44 ILE QG2 . 18118 1 444 . 1 1 44 44 ILE HG22 H 1 0.124 0.006 . 1 . . . A 44 ILE QG2 . 18118 1 445 . 1 1 44 44 ILE HG23 H 1 0.124 0.006 . 1 . . . A 44 ILE QG2 . 18118 1 446 . 1 1 44 44 ILE HD11 H 1 0.766 0.006 . 1 . . . A 44 ILE QD1 . 18118 1 447 . 1 1 44 44 ILE HD12 H 1 0.766 0.006 . 1 . . . A 44 ILE QD1 . 18118 1 448 . 1 1 44 44 ILE HD13 H 1 0.766 0.006 . 1 . . . A 44 ILE QD1 . 18118 1 449 . 1 1 44 44 ILE CA C 13 58.280 0.166 . 1 . . . A 44 ILE CA . 18118 1 450 . 1 1 44 44 ILE CB C 13 36.145 0.166 . 1 . . . A 44 ILE CB . 18118 1 451 . 1 1 44 44 ILE CG1 C 13 25.622 0.166 . 1 . . . A 44 ILE CG1 . 18118 1 452 . 1 1 44 44 ILE CG2 C 13 14.784 0.166 . 1 . . . A 44 ILE CG2 . 18118 1 453 . 1 1 44 44 ILE CD1 C 13 12.534 0.166 . 1 . . . A 44 ILE CD1 . 18118 1 454 . 1 1 44 44 ILE N N 15 119.116 0.106 . 1 . . . A 44 ILE N . 18118 1 455 . 1 1 45 45 HIS H H 1 8.493 0.006 . 1 . . . A 45 HIS H . 18118 1 456 . 1 1 45 45 HIS HA H 1 4.883 0.006 . 1 . . . A 45 HIS HA . 18118 1 457 . 1 1 45 45 HIS HB2 H 1 3.306 0.006 . 2 . . . A 45 HIS HB2 . 18118 1 458 . 1 1 45 45 HIS HB3 H 1 2.960 0.006 . 2 . . . A 45 HIS HB3 . 18118 1 459 . 1 1 45 45 HIS HD1 H 1 8.995 0.006 . 1 . . . A 45 HIS HD1 . 18118 1 460 . 1 1 45 45 HIS HD2 H 1 6.686 0.006 . 1 . . . A 45 HIS HD2 . 18118 1 461 . 1 1 45 45 HIS CA C 13 49.681 0.166 . 1 . . . A 45 HIS CA . 18118 1 462 . 1 1 45 45 HIS CB C 13 25.934 0.166 . 1 . . . A 45 HIS CB . 18118 1 463 . 1 1 45 45 HIS CD2 C 13 116.057 0.166 . 1 . . . A 45 HIS CD2 . 18118 1 464 . 1 1 45 45 HIS N N 15 124.064 0.106 . 1 . . . A 45 HIS N . 18118 1 465 . 1 1 46 46 PHE H H 1 9.014 0.006 . 1 . . . A 46 PHE H . 18118 1 466 . 1 1 46 46 PHE HA H 1 4.563 0.006 . 1 . . . A 46 PHE HA . 18118 1 467 . 1 1 46 46 PHE HB2 H 1 2.849 0.006 . 2 . . . A 46 PHE HB2 . 18118 1 468 . 1 1 46 46 PHE HB3 H 1 2.987 0.006 . 2 . . . A 46 PHE HB3 . 18118 1 469 . 1 1 46 46 PHE HD1 H 1 7.174 0.006 . 3 . . . A 46 PHE QD . 18118 1 470 . 1 1 46 46 PHE HD2 H 1 7.174 0.006 . 3 . . . A 46 PHE QD . 18118 1 471 . 1 1 46 46 PHE HE1 H 1 7.003 0.006 . 3 . . . A 46 PHE HE1 . 18118 1 472 . 1 1 46 46 PHE CA C 13 57.122 0.166 . 1 . . . A 46 PHE CA . 18118 1 473 . 1 1 46 46 PHE CB C 13 36.299 0.166 . 1 . . . A 46 PHE CB . 18118 1 474 . 1 1 46 46 PHE CD1 C 13 126.420 0.166 . 3 . . . A 46 PHE CD1 . 18118 1 475 . 1 1 46 46 PHE CD2 C 13 126.423 0.166 . 3 . . . A 46 PHE CD2 . 18118 1 476 . 1 1 46 46 PHE CE1 C 13 127.330 0.166 . 3 . . . A 46 PHE CE1 . 18118 1 477 . 1 1 46 46 PHE CE2 C 13 127.334 0.166 . 3 . . . A 46 PHE CE2 . 18118 1 478 . 1 1 46 46 PHE N N 15 123.886 0.106 . 1 . . . A 46 PHE N . 18118 1 479 . 1 1 47 47 LEU H H 1 8.066 0.006 . 1 . . . A 47 LEU H . 18118 1 480 . 1 1 47 47 LEU HA H 1 4.504 0.006 . 1 . . . A 47 LEU HA . 18118 1 481 . 1 1 47 47 LEU HB2 H 1 1.787 0.006 . 2 . . . A 47 LEU HB2 . 18118 1 482 . 1 1 47 47 LEU HB3 H 1 1.377 0.006 . 2 . . . A 47 LEU HB3 . 18118 1 483 . 1 1 47 47 LEU HG H 1 1.597 0.006 . 1 . . . A 47 LEU HG . 18118 1 484 . 1 1 47 47 LEU HD11 H 1 0.751 0.006 . 1 . . . A 47 LEU QQD . 18118 1 485 . 1 1 47 47 LEU HD12 H 1 0.751 0.006 . 1 . . . A 47 LEU QQD . 18118 1 486 . 1 1 47 47 LEU HD13 H 1 0.751 0.006 . 1 . . . A 47 LEU QQD . 18118 1 487 . 1 1 47 47 LEU HD21 H 1 0.751 0.006 . 1 . . . A 47 LEU QQD . 18118 1 488 . 1 1 47 47 LEU HD22 H 1 0.751 0.006 . 1 . . . A 47 LEU QQD . 18118 1 489 . 1 1 47 47 LEU HD23 H 1 0.751 0.006 . 1 . . . A 47 LEU QQD . 18118 1 490 . 1 1 47 47 LEU CA C 13 51.885 0.166 . 1 . . . A 47 LEU CA . 18118 1 491 . 1 1 47 47 LEU CB C 13 38.896 0.166 . 1 . . . A 47 LEU CB . 18118 1 492 . 1 1 47 47 LEU CG C 13 25.078 0.166 . 1 . . . A 47 LEU CG . 18118 1 493 . 1 1 47 47 LEU CD1 C 13 20.270 0.166 . 2 . . . A 47 LEU CD1 . 18118 1 494 . 1 1 47 47 LEU CD2 C 13 20.258 0.166 . 2 . . . A 47 LEU CD2 . 18118 1 495 . 1 1 47 47 LEU N N 15 124.343 0.106 . 1 . . . A 47 LEU N . 18118 1 496 . 1 1 48 48 LEU H H 1 8.754 0.006 . 1 . . . A 48 LEU H . 18118 1 497 . 1 1 48 48 LEU HA H 1 4.825 0.006 . 1 . . . A 48 LEU HA . 18118 1 498 . 1 1 48 48 LEU HB2 H 1 1.718 0.006 . 2 . . . A 48 LEU HB2 . 18118 1 499 . 1 1 48 48 LEU HB3 H 1 1.217 0.006 . 2 . . . A 48 LEU HB3 . 18118 1 500 . 1 1 48 48 LEU HG H 1 1.646 0.006 . 1 . . . A 48 LEU HG . 18118 1 501 . 1 1 48 48 LEU HD11 H 1 0.599 0.006 . 2 . . . A 48 LEU QD1 . 18118 1 502 . 1 1 48 48 LEU HD12 H 1 0.599 0.006 . 2 . . . A 48 LEU QD1 . 18118 1 503 . 1 1 48 48 LEU HD13 H 1 0.599 0.006 . 2 . . . A 48 LEU QD1 . 18118 1 504 . 1 1 48 48 LEU HD21 H 1 0.832 0.006 . 2 . . . A 48 LEU QD2 . 18118 1 505 . 1 1 48 48 LEU HD22 H 1 0.832 0.006 . 2 . . . A 48 LEU QD2 . 18118 1 506 . 1 1 48 48 LEU HD23 H 1 0.832 0.006 . 2 . . . A 48 LEU QD2 . 18118 1 507 . 1 1 48 48 LEU CA C 13 50.930 0.166 . 1 . . . A 48 LEU CA . 18118 1 508 . 1 1 48 48 LEU CB C 13 41.655 0.166 . 1 . . . A 48 LEU CB . 18118 1 509 . 1 1 48 48 LEU CG C 13 24.453 0.166 . 1 . . . A 48 LEU CG . 18118 1 510 . 1 1 48 48 LEU CD1 C 13 20.088 0.166 . 2 . . . A 48 LEU CD1 . 18118 1 511 . 1 1 48 48 LEU CD2 C 13 22.732 0.166 . 2 . . . A 48 LEU CD2 . 18118 1 512 . 1 1 48 48 LEU N N 15 122.809 0.106 . 1 . . . A 48 LEU N . 18118 1 513 . 1 1 49 49 ASN H H 1 8.757 0.006 . 1 . . . A 49 ASN H . 18118 1 514 . 1 1 49 49 ASN HA H 1 4.791 0.006 . 1 . . . A 49 ASN HA . 18118 1 515 . 1 1 49 49 ASN HB2 H 1 3.296 0.006 . 2 . . . A 49 ASN HB2 . 18118 1 516 . 1 1 49 49 ASN HB3 H 1 2.784 0.006 . 2 . . . A 49 ASN HB3 . 18118 1 517 . 1 1 49 49 ASN HD21 H 1 6.983 0.006 . 2 . . . A 49 ASN HD21 . 18118 1 518 . 1 1 49 49 ASN HD22 H 1 7.618 0.006 . 2 . . . A 49 ASN HD22 . 18118 1 519 . 1 1 49 49 ASN CA C 13 48.595 0.166 . 1 . . . A 49 ASN CA . 18118 1 520 . 1 1 49 49 ASN CB C 13 36.735 0.166 . 1 . . . A 49 ASN CB . 18118 1 521 . 1 1 49 49 ASN N N 15 119.420 0.106 . 1 . . . A 49 ASN N . 18118 1 522 . 1 1 49 49 ASN ND2 N 15 112.225 0.106 . 1 . . . A 49 ASN ND2 . 18118 1 523 . 1 1 50 50 ARG H H 1 8.618 0.006 . 1 . . . A 50 ARG H . 18118 1 524 . 1 1 50 50 ARG HA H 1 4.026 0.006 . 1 . . . A 50 ARG HA . 18118 1 525 . 1 1 50 50 ARG HB2 H 1 1.796 0.006 . 2 . . . A 50 ARG QB . 18118 1 526 . 1 1 50 50 ARG HB3 H 1 1.796 0.006 . 2 . . . A 50 ARG QB . 18118 1 527 . 1 1 50 50 ARG HG2 H 1 1.602 0.006 . 2 . . . A 50 ARG QG . 18118 1 528 . 1 1 50 50 ARG HG3 H 1 1.602 0.006 . 2 . . . A 50 ARG QG . 18118 1 529 . 1 1 50 50 ARG HD2 H 1 3.127 0.006 . 2 . . . A 50 ARG QD . 18118 1 530 . 1 1 50 50 ARG HD3 H 1 3.127 0.006 . 2 . . . A 50 ARG QD . 18118 1 531 . 1 1 50 50 ARG CA C 13 55.918 0.166 . 1 . . . A 50 ARG CA . 18118 1 532 . 1 1 50 50 ARG CB C 13 27.194 0.166 . 1 . . . A 50 ARG CB . 18118 1 533 . 1 1 50 50 ARG CG C 13 24.384 0.166 . 1 . . . A 50 ARG CG . 18118 1 534 . 1 1 50 50 ARG CD C 13 40.846 0.166 . 1 . . . A 50 ARG CD . 18118 1 535 . 1 1 50 50 ARG N N 15 119.367 0.106 . 1 . . . A 50 ARG N . 18118 1 536 . 1 1 51 51 ASP H H 1 7.577 0.006 . 1 . . . A 51 ASP H . 18118 1 537 . 1 1 51 51 ASP HA H 1 4.585 0.006 . 1 . . . A 51 ASP HA . 18118 1 538 . 1 1 51 51 ASP HB2 H 1 2.699 0.006 . 2 . . . A 51 ASP HB2 . 18118 1 539 . 1 1 51 51 ASP HB3 H 1 2.617 0.006 . 2 . . . A 51 ASP HB3 . 18118 1 540 . 1 1 51 51 ASP CA C 13 51.280 0.166 . 1 . . . A 51 ASP CA . 18118 1 541 . 1 1 51 51 ASP CB C 13 38.544 0.166 . 1 . . . A 51 ASP CB . 18118 1 542 . 1 1 51 51 ASP N N 15 116.650 0.106 . 1 . . . A 51 ASP N . 18118 1 543 . 1 1 52 52 GLY H H 1 8.171 0.006 . 1 . . . A 52 GLY H . 18118 1 544 . 1 1 52 52 GLY HA2 H 1 3.585 0.006 . 2 . . . A 52 GLY HA2 . 18118 1 545 . 1 1 52 52 GLY HA3 H 1 4.123 0.006 . 2 . . . A 52 GLY HA3 . 18118 1 546 . 1 1 52 52 GLY CA C 13 43.341 0.166 . 1 . . . A 52 GLY CA . 18118 1 547 . 1 1 52 52 GLY N N 15 107.719 0.106 . 1 . . . A 52 GLY N . 18118 1 548 . 1 1 53 53 LYS H H 1 7.750 0.006 . 1 . . . A 53 LYS H . 18118 1 549 . 1 1 53 53 LYS HA H 1 4.419 0.006 . 1 . . . A 53 LYS HA . 18118 1 550 . 1 1 53 53 LYS HB2 H 1 1.602 0.006 . 2 . . . A 53 LYS QB . 18118 1 551 . 1 1 53 53 LYS HB3 H 1 1.602 0.006 . 2 . . . A 53 LYS QB . 18118 1 552 . 1 1 53 53 LYS HG2 H 1 1.272 0.006 . 2 . . . A 53 LYS HG2 . 18118 1 553 . 1 1 53 53 LYS HG3 H 1 1.185 0.006 . 2 . . . A 53 LYS HG3 . 18118 1 554 . 1 1 53 53 LYS HD2 H 1 1.607 0.006 . 2 . . . A 53 LYS HD2 . 18118 1 555 . 1 1 53 53 LYS HD3 H 1 1.519 0.006 . 2 . . . A 53 LYS HD3 . 18118 1 556 . 1 1 53 53 LYS HE2 H 1 2.752 0.006 . 2 . . . A 53 LYS HE2 . 18118 1 557 . 1 1 53 53 LYS HE3 H 1 2.830 0.006 . 2 . . . A 53 LYS HE3 . 18118 1 558 . 1 1 53 53 LYS CA C 13 51.788 0.166 . 1 . . . A 53 LYS CA . 18118 1 559 . 1 1 53 53 LYS CB C 13 30.976 0.166 . 1 . . . A 53 LYS CB . 18118 1 560 . 1 1 53 53 LYS CG C 13 22.564 0.166 . 1 . . . A 53 LYS CG . 18118 1 561 . 1 1 53 53 LYS CD C 13 26.177 0.166 . 1 . . . A 53 LYS CD . 18118 1 562 . 1 1 53 53 LYS CE C 13 39.756 0.166 . 1 . . . A 53 LYS CE . 18118 1 563 . 1 1 53 53 LYS N N 15 119.174 0.106 . 1 . . . A 53 LYS N . 18118 1 564 . 1 1 54 54 ARG H H 1 8.570 0.006 . 1 . . . A 54 ARG H . 18118 1 565 . 1 1 54 54 ARG HA H 1 4.169 0.006 . 1 . . . A 54 ARG HA . 18118 1 566 . 1 1 54 54 ARG HB2 H 1 1.660 0.006 . 2 . . . A 54 ARG QB . 18118 1 567 . 1 1 54 54 ARG HB3 H 1 1.660 0.006 . 2 . . . A 54 ARG QB . 18118 1 568 . 1 1 54 54 ARG HG2 H 1 1.717 0.006 . 2 . . . A 54 ARG HG2 . 18118 1 569 . 1 1 54 54 ARG HG3 H 1 1.389 0.006 . 2 . . . A 54 ARG HG3 . 18118 1 570 . 1 1 54 54 ARG HD2 H 1 2.699 0.006 . 2 . . . A 54 ARG QD . 18118 1 571 . 1 1 54 54 ARG HD3 H 1 2.699 0.006 . 2 . . . A 54 ARG QD . 18118 1 572 . 1 1 54 54 ARG CA C 13 54.949 0.166 . 1 . . . A 54 ARG CA . 18118 1 573 . 1 1 54 54 ARG CB C 13 28.054 0.166 . 1 . . . A 54 ARG CB . 18118 1 574 . 1 1 54 54 ARG CG C 13 25.080 0.166 . 1 . . . A 54 ARG CG . 18118 1 575 . 1 1 54 54 ARG CD C 13 41.097 0.166 . 1 . . . A 54 ARG CD . 18118 1 576 . 1 1 54 54 ARG N N 15 121.126 0.106 . 1 . . . A 54 ARG N . 18118 1 577 . 1 1 55 55 ARG H H 1 8.352 0.006 . 1 . . . A 55 ARG H . 18118 1 578 . 1 1 55 55 ARG HA H 1 4.041 0.006 . 1 . . . A 55 ARG HA . 18118 1 579 . 1 1 55 55 ARG HB2 H 1 1.716 0.006 . 2 . . . A 55 ARG HB2 . 18118 1 580 . 1 1 55 55 ARG HB3 H 1 1.636 0.006 . 2 . . . A 55 ARG HB3 . 18118 1 581 . 1 1 55 55 ARG HG2 H 1 1.379 0.006 . 2 . . . A 55 ARG QG . 18118 1 582 . 1 1 55 55 ARG HG3 H 1 1.379 0.006 . 2 . . . A 55 ARG QG . 18118 1 583 . 1 1 55 55 ARG HD2 H 1 2.776 0.006 . 2 . . . A 55 ARG HD2 . 18118 1 584 . 1 1 55 55 ARG HD3 H 1 2.531 0.006 . 2 . . . A 55 ARG HD3 . 18118 1 585 . 1 1 55 55 ARG CA C 13 53.172 0.166 . 1 . . . A 55 ARG CA . 18118 1 586 . 1 1 55 55 ARG CB C 13 29.692 0.166 . 1 . . . A 55 ARG CB . 18118 1 587 . 1 1 55 55 ARG CG C 13 24.388 0.166 . 1 . . . A 55 ARG CG . 18118 1 588 . 1 1 55 55 ARG CD C 13 41.230 0.166 . 1 . . . A 55 ARG CD . 18118 1 589 . 1 1 55 55 ARG N N 15 121.856 0.106 . 1 . . . A 55 ARG N . 18118 1 590 . 1 1 56 56 GLY H H 1 8.683 0.006 . 1 . . . A 56 GLY H . 18118 1 591 . 1 1 56 56 GLY HA2 H 1 3.835 0.006 . 2 . . . A 56 GLY HA2 . 18118 1 592 . 1 1 56 56 GLY HA3 H 1 4.413 0.006 . 2 . . . A 56 GLY HA3 . 18118 1 593 . 1 1 56 56 GLY CA C 13 43.461 0.166 . 1 . . . A 56 GLY CA . 18118 1 594 . 1 1 56 56 GLY N N 15 108.554 0.106 . 1 . . . A 56 GLY N . 18118 1 595 . 1 1 57 57 ASP H H 1 8.018 0.006 . 1 . . . A 57 ASP H . 18118 1 596 . 1 1 57 57 ASP HA H 1 5.757 0.006 . 1 . . . A 57 ASP HA . 18118 1 597 . 1 1 57 57 ASP HB2 H 1 2.546 0.006 . 2 . . . A 57 ASP HB2 . 18118 1 598 . 1 1 57 57 ASP HB3 H 1 2.712 0.006 . 2 . . . A 57 ASP HB3 . 18118 1 599 . 1 1 57 57 ASP CA C 13 49.244 0.166 . 1 . . . A 57 ASP CA . 18118 1 600 . 1 1 57 57 ASP CB C 13 41.265 0.166 . 1 . . . A 57 ASP CB . 18118 1 601 . 1 1 57 57 ASP N N 15 117.136 0.106 . 1 . . . A 57 ASP N . 18118 1 602 . 1 1 58 58 ALA H H 1 9.137 0.006 . 1 . . . A 58 ALA H . 18118 1 603 . 1 1 58 58 ALA HA H 1 5.105 0.006 . 1 . . . A 58 ALA HA . 18118 1 604 . 1 1 58 58 ALA HB1 H 1 0.745 0.006 . 1 . . . A 58 ALA QB . 18118 1 605 . 1 1 58 58 ALA HB2 H 1 0.745 0.006 . 1 . . . A 58 ALA QB . 18118 1 606 . 1 1 58 58 ALA HB3 H 1 0.745 0.006 . 1 . . . A 58 ALA QB . 18118 1 607 . 1 1 58 58 ALA CA C 13 48.358 0.166 . 1 . . . A 58 ALA CA . 18118 1 608 . 1 1 58 58 ALA CB C 13 19.444 0.166 . 1 . . . A 58 ALA CB . 18118 1 609 . 1 1 58 58 ALA N N 15 122.425 0.106 . 1 . . . A 58 ALA N . 18118 1 610 . 1 1 59 59 LEU H H 1 8.604 0.006 . 1 . . . A 59 LEU H . 18118 1 611 . 1 1 59 59 LEU HA H 1 5.247 0.006 . 1 . . . A 59 LEU HA . 18118 1 612 . 1 1 59 59 LEU HB2 H 1 1.549 0.006 . 2 . . . A 59 LEU HB2 . 18118 1 613 . 1 1 59 59 LEU HB3 H 1 1.348 0.006 . 2 . . . A 59 LEU HB3 . 18118 1 614 . 1 1 59 59 LEU HD11 H 1 0.778 0.006 . 1 . . . A 59 LEU QQD . 18118 1 615 . 1 1 59 59 LEU HD12 H 1 0.778 0.006 . 1 . . . A 59 LEU QQD . 18118 1 616 . 1 1 59 59 LEU HD13 H 1 0.778 0.006 . 1 . . . A 59 LEU QQD . 18118 1 617 . 1 1 59 59 LEU HD21 H 1 0.778 0.006 . 1 . . . A 59 LEU QQD . 18118 1 618 . 1 1 59 59 LEU HD22 H 1 0.778 0.006 . 1 . . . A 59 LEU QQD . 18118 1 619 . 1 1 59 59 LEU HD23 H 1 0.778 0.006 . 1 . . . A 59 LEU QQD . 18118 1 620 . 1 1 59 59 LEU CA C 13 50.358 0.166 . 1 . . . A 59 LEU CA . 18118 1 621 . 1 1 59 59 LEU CB C 13 42.166 0.166 . 1 . . . A 59 LEU CB . 18118 1 622 . 1 1 59 59 LEU CG C 13 25.595 0.166 . 1 . . . A 59 LEU CG . 18118 1 623 . 1 1 59 59 LEU CD2 C 13 21.495 0.166 . 2 . . . A 59 LEU CD2 . 18118 1 624 . 1 1 59 59 LEU N N 15 121.454 0.106 . 1 . . . A 59 LEU N . 18118 1 625 . 1 1 60 60 ILE H H 1 9.081 0.006 . 1 . . . A 60 ILE H . 18118 1 626 . 1 1 60 60 ILE HA H 1 4.838 0.006 . 1 . . . A 60 ILE HA . 18118 1 627 . 1 1 60 60 ILE HB H 1 1.236 0.006 . 1 . . . A 60 ILE HB . 18118 1 628 . 1 1 60 60 ILE HG12 H 1 0.581 0.006 . 1 . . . A 60 ILE QG1 . 18118 1 629 . 1 1 60 60 ILE HG13 H 1 0.581 0.006 . 1 . . . A 60 ILE QG1 . 18118 1 630 . 1 1 60 60 ILE HG21 H 1 0.456 0.006 . 1 . . . A 60 ILE QG2 . 18118 1 631 . 1 1 60 60 ILE HG22 H 1 0.456 0.006 . 1 . . . A 60 ILE QG2 . 18118 1 632 . 1 1 60 60 ILE HG23 H 1 0.456 0.006 . 1 . . . A 60 ILE QG2 . 18118 1 633 . 1 1 60 60 ILE HD11 H 1 0.410 0.006 . 1 . . . A 60 ILE QD1 . 18118 1 634 . 1 1 60 60 ILE HD12 H 1 0.410 0.006 . 1 . . . A 60 ILE QD1 . 18118 1 635 . 1 1 60 60 ILE HD13 H 1 0.410 0.006 . 1 . . . A 60 ILE QD1 . 18118 1 636 . 1 1 60 60 ILE CA C 13 57.384 0.166 . 1 . . . A 60 ILE CA . 18118 1 637 . 1 1 60 60 ILE CB C 13 38.147 0.166 . 1 . . . A 60 ILE CB . 18118 1 638 . 1 1 60 60 ILE CG1 C 13 25.561 0.166 . 1 . . . A 60 ILE CG1 . 18118 1 639 . 1 1 60 60 ILE CG2 C 13 17.198 0.166 . 1 . . . A 60 ILE CG2 . 18118 1 640 . 1 1 60 60 ILE CD1 C 13 12.744 0.166 . 1 . . . A 60 ILE CD1 . 18118 1 641 . 1 1 60 60 ILE N N 15 123.974 0.106 . 1 . . . A 60 ILE N . 18118 1 642 . 1 1 61 61 GLU H H 1 8.832 0.006 . 1 . . . A 61 GLU H . 18118 1 643 . 1 1 61 61 GLU HA H 1 4.545 0.006 . 1 . . . A 61 GLU HA . 18118 1 644 . 1 1 61 61 GLU HB2 H 1 1.975 0.006 . 2 . . . A 61 GLU HB2 . 18118 1 645 . 1 1 61 61 GLU HB3 H 1 2.148 0.006 . 2 . . . A 61 GLU HB3 . 18118 1 646 . 1 1 61 61 GLU HG2 H 1 2.248 0.006 . 2 . . . A 61 GLU HG2 . 18118 1 647 . 1 1 61 61 GLU HG3 H 1 2.127 0.006 . 2 . . . A 61 GLU HG3 . 18118 1 648 . 1 1 61 61 GLU CA C 13 52.464 0.166 . 1 . . . A 61 GLU CA . 18118 1 649 . 1 1 61 61 GLU CB C 13 29.517 0.166 . 1 . . . A 61 GLU CB . 18118 1 650 . 1 1 61 61 GLU CG C 13 34.679 0.166 . 1 . . . A 61 GLU CG . 18118 1 651 . 1 1 61 61 GLU N N 15 126.177 0.106 . 1 . . . A 61 GLU N . 18118 1 652 . 1 1 62 62 MET H H 1 8.854 0.006 . 1 . . . A 62 MET H . 18118 1 653 . 1 1 62 62 MET HA H 1 5.131 0.006 . 1 . . . A 62 MET HA . 18118 1 654 . 1 1 62 62 MET HB2 H 1 2.131 0.006 . 2 . . . A 62 MET HB2 . 18118 1 655 . 1 1 62 62 MET HB3 H 1 2.283 0.006 . 2 . . . A 62 MET HB3 . 18118 1 656 . 1 1 62 62 MET HG2 H 1 1.872 0.006 . 2 . . . A 62 MET HG2 . 18118 1 657 . 1 1 62 62 MET HE1 H 1 1.316 0.006 . 1 . . . A 62 MET QE . 18118 1 658 . 1 1 62 62 MET HE2 H 1 1.316 0.006 . 1 . . . A 62 MET QE . 18118 1 659 . 1 1 62 62 MET HE3 H 1 1.316 0.006 . 1 . . . A 62 MET QE . 18118 1 660 . 1 1 62 62 MET CA C 13 49.938 0.166 . 1 . . . A 62 MET CA . 18118 1 661 . 1 1 62 62 MET CB C 13 30.874 0.166 . 1 . . . A 62 MET CB . 18118 1 662 . 1 1 62 62 MET CG C 13 31.268 0.166 . 1 . . . A 62 MET CG . 18118 1 663 . 1 1 62 62 MET CE C 13 15.284 0.166 . 1 . . . A 62 MET CE . 18118 1 664 . 1 1 62 62 MET N N 15 121.191 0.106 . 1 . . . A 62 MET N . 18118 1 665 . 1 1 63 63 GLU H H 1 8.092 0.006 . 1 . . . A 63 GLU H . 18118 1 666 . 1 1 63 63 GLU HA H 1 4.071 0.006 . 1 . . . A 63 GLU HA . 18118 1 667 . 1 1 63 63 GLU HB2 H 1 2.017 0.006 . 2 . . . A 63 GLU HB2 . 18118 1 668 . 1 1 63 63 GLU HB3 H 1 1.855 0.006 . 2 . . . A 63 GLU HB3 . 18118 1 669 . 1 1 63 63 GLU HG2 H 1 2.077 0.006 . 2 . . . A 63 GLU HG2 . 18118 1 670 . 1 1 63 63 GLU HG3 H 1 1.954 0.006 . 2 . . . A 63 GLU HG3 . 18118 1 671 . 1 1 63 63 GLU CA C 13 57.155 0.166 . 1 . . . A 63 GLU CA . 18118 1 672 . 1 1 63 63 GLU CB C 13 28.080 0.166 . 1 . . . A 63 GLU CB . 18118 1 673 . 1 1 63 63 GLU CG C 13 34.014 0.166 . 1 . . . A 63 GLU CG . 18118 1 674 . 1 1 63 63 GLU N N 15 117.598 0.106 . 1 . . . A 63 GLU N . 18118 1 675 . 1 1 64 64 SER H H 1 7.710 0.006 . 1 . . . A 64 SER H . 18118 1 676 . 1 1 64 64 SER HA H 1 4.113 0.006 . 1 . . . A 64 SER HA . 18118 1 677 . 1 1 64 64 SER HB2 H 1 3.871 0.006 . 2 . . . A 64 SER HB2 . 18118 1 678 . 1 1 64 64 SER HB3 H 1 3.698 0.006 . 2 . . . A 64 SER HB3 . 18118 1 679 . 1 1 64 64 SER CA C 13 54.607 0.166 . 1 . . . A 64 SER CA . 18118 1 680 . 1 1 64 64 SER CB C 13 65.273 0.166 . 1 . . . A 64 SER CB . 18118 1 681 . 1 1 64 64 SER N N 15 109.627 0.106 . 1 . . . A 64 SER N . 18118 1 682 . 1 1 65 65 GLU H H 1 8.364 0.006 . 1 . . . A 65 GLU H . 18118 1 683 . 1 1 65 65 GLU HA H 1 3.485 0.006 . 1 . . . A 65 GLU HA . 18118 1 684 . 1 1 65 65 GLU HB2 H 1 1.857 0.006 . 2 . . . A 65 GLU HB2 . 18118 1 685 . 1 1 65 65 GLU HB3 H 1 1.728 0.006 . 2 . . . A 65 GLU HB3 . 18118 1 686 . 1 1 65 65 GLU HG2 H 1 2.140 0.006 . 2 . . . A 65 GLU QG . 18118 1 687 . 1 1 65 65 GLU HG3 H 1 2.140 0.006 . 2 . . . A 65 GLU QG . 18118 1 688 . 1 1 65 65 GLU CA C 13 56.100 0.166 . 1 . . . A 65 GLU CA . 18118 1 689 . 1 1 65 65 GLU CB C 13 26.282 0.166 . 1 . . . A 65 GLU CB . 18118 1 690 . 1 1 65 65 GLU CG C 13 32.867 0.166 . 1 . . . A 65 GLU CG . 18118 1 691 . 1 1 65 65 GLU N N 15 121.394 0.106 . 1 . . . A 65 GLU N . 18118 1 692 . 1 1 66 66 GLN H H 1 7.979 0.006 . 1 . . . A 66 GLN H . 18118 1 693 . 1 1 66 66 GLN HA H 1 3.902 0.006 . 1 . . . A 66 GLN HA . 18118 1 694 . 1 1 66 66 GLN HB2 H 1 1.936 0.006 . 2 . . . A 66 GLN HB2 . 18118 1 695 . 1 1 66 66 GLN HB3 H 1 1.825 0.006 . 2 . . . A 66 GLN HB3 . 18118 1 696 . 1 1 66 66 GLN HG2 H 1 2.290 0.006 . 2 . . . A 66 GLN HG2 . 18118 1 697 . 1 1 66 66 GLN HG3 H 1 2.241 0.006 . 2 . . . A 66 GLN HG3 . 18118 1 698 . 1 1 66 66 GLN HE21 H 1 7.492 0.006 . 2 . . . A 66 GLN HE21 . 18118 1 699 . 1 1 66 66 GLN HE22 H 1 6.800 0.006 . 2 . . . A 66 GLN HE22 . 18118 1 700 . 1 1 66 66 GLN CA C 13 56.438 0.166 . 1 . . . A 66 GLN CA . 18118 1 701 . 1 1 66 66 GLN CB C 13 25.394 0.166 . 1 . . . A 66 GLN CB . 18118 1 702 . 1 1 66 66 GLN CG C 13 31.878 0.166 . 1 . . . A 66 GLN CG . 18118 1 703 . 1 1 66 66 GLN N N 15 118.987 0.106 . 1 . . . A 66 GLN N . 18118 1 704 . 1 1 66 66 GLN NE2 N 15 112.312 0.106 . 1 . . . A 66 GLN NE2 . 18118 1 705 . 1 1 67 67 ASP H H 1 7.325 0.006 . 1 . . . A 67 ASP H . 18118 1 706 . 1 1 67 67 ASP HA H 1 4.334 0.006 . 1 . . . A 67 ASP HA . 18118 1 707 . 1 1 67 67 ASP HB2 H 1 2.709 0.006 . 2 . . . A 67 ASP QB . 18118 1 708 . 1 1 67 67 ASP HB3 H 1 2.709 0.006 . 2 . . . A 67 ASP QB . 18118 1 709 . 1 1 67 67 ASP CA C 13 55.727 0.166 . 1 . . . A 67 ASP CA . 18118 1 710 . 1 1 67 67 ASP CB C 13 41.607 0.166 . 1 . . . A 67 ASP CB . 18118 1 711 . 1 1 67 67 ASP N N 15 118.539 0.106 . 1 . . . A 67 ASP N . 18118 1 712 . 1 1 68 68 VAL H H 1 7.165 0.006 . 1 . . . A 68 VAL H . 18118 1 713 . 1 1 68 68 VAL HA H 1 3.175 0.006 . 1 . . . A 68 VAL HA . 18118 1 714 . 1 1 68 68 VAL HB H 1 2.319 0.006 . 1 . . . A 68 VAL HB . 18118 1 715 . 1 1 68 68 VAL HG11 H 1 0.874 0.006 . 2 . . . A 68 VAL QG1 . 18118 1 716 . 1 1 68 68 VAL HG12 H 1 0.874 0.006 . 2 . . . A 68 VAL QG1 . 18118 1 717 . 1 1 68 68 VAL HG13 H 1 0.874 0.006 . 2 . . . A 68 VAL QG1 . 18118 1 718 . 1 1 68 68 VAL HG21 H 1 0.779 0.006 . 2 . . . A 68 VAL QG2 . 18118 1 719 . 1 1 68 68 VAL HG22 H 1 0.779 0.006 . 2 . . . A 68 VAL QG2 . 18118 1 720 . 1 1 68 68 VAL HG23 H 1 0.779 0.006 . 2 . . . A 68 VAL QG2 . 18118 1 721 . 1 1 68 68 VAL CA C 13 64.830 0.166 . 1 . . . A 68 VAL CA . 18118 1 722 . 1 1 68 68 VAL CB C 13 28.834 0.166 . 1 . . . A 68 VAL CB . 18118 1 723 . 1 1 68 68 VAL CG1 C 13 21.056 0.166 . 2 . . . A 68 VAL CG1 . 18118 1 724 . 1 1 68 68 VAL CG2 C 13 18.026 0.166 . 2 . . . A 68 VAL CG2 . 18118 1 725 . 1 1 68 68 VAL N N 15 119.502 0.106 . 1 . . . A 68 VAL N . 18118 1 726 . 1 1 69 69 GLN H H 1 7.718 0.006 . 1 . . . A 69 GLN H . 18118 1 727 . 1 1 69 69 GLN HA H 1 3.734 0.006 . 1 . . . A 69 GLN HA . 18118 1 728 . 1 1 69 69 GLN HB2 H 1 2.008 0.006 . 2 . . . A 69 GLN HB2 . 18118 1 729 . 1 1 69 69 GLN HB3 H 1 2.059 0.006 . 2 . . . A 69 GLN HB3 . 18118 1 730 . 1 1 69 69 GLN HG2 H 1 2.387 0.006 . 2 . . . A 69 GLN HG2 . 18118 1 731 . 1 1 69 69 GLN HG3 H 1 2.349 0.006 . 2 . . . A 69 GLN HG3 . 18118 1 732 . 1 1 69 69 GLN HE21 H 1 6.776 0.006 . 2 . . . A 69 GLN HE21 . 18118 1 733 . 1 1 69 69 GLN HE22 H 1 7.468 0.006 . 2 . . . A 69 GLN HE22 . 18118 1 734 . 1 1 69 69 GLN CA C 13 56.404 0.166 . 1 . . . A 69 GLN CA . 18118 1 735 . 1 1 69 69 GLN CB C 13 25.212 0.166 . 1 . . . A 69 GLN CB . 18118 1 736 . 1 1 69 69 GLN CG C 13 31.239 0.166 . 1 . . . A 69 GLN CG . 18118 1 737 . 1 1 69 69 GLN N N 15 115.899 0.106 . 1 . . . A 69 GLN N . 18118 1 738 . 1 1 69 69 GLN NE2 N 15 113.265 0.106 . 1 . . . A 69 GLN NE2 . 18118 1 739 . 1 1 70 70 LYS H H 1 7.767 0.006 . 1 . . . A 70 LYS H . 18118 1 740 . 1 1 70 70 LYS HA H 1 3.928 0.006 . 1 . . . A 70 LYS HA . 18118 1 741 . 1 1 70 70 LYS HB2 H 1 1.764 0.006 . 2 . . . A 70 LYS QB . 18118 1 742 . 1 1 70 70 LYS HB3 H 1 1.764 0.006 . 2 . . . A 70 LYS QB . 18118 1 743 . 1 1 70 70 LYS HG2 H 1 1.464 0.006 . 2 . . . A 70 LYS HG2 . 18118 1 744 . 1 1 70 70 LYS HG3 H 1 1.366 0.006 . 2 . . . A 70 LYS HG3 . 18118 1 745 . 1 1 70 70 LYS HD2 H 1 1.606 0.006 . 2 . . . A 70 LYS HD2 . 18118 1 746 . 1 1 70 70 LYS HD3 H 1 1.523 0.006 . 2 . . . A 70 LYS HD3 . 18118 1 747 . 1 1 70 70 LYS HE2 H 1 2.753 0.006 . 2 . . . A 70 LYS HE2 . 18118 1 748 . 1 1 70 70 LYS HE3 H 1 2.829 0.006 . 2 . . . A 70 LYS HE3 . 18118 1 749 . 1 1 70 70 LYS CA C 13 55.937 0.166 . 1 . . . A 70 LYS CA . 18118 1 750 . 1 1 70 70 LYS CB C 13 29.946 0.166 . 1 . . . A 70 LYS CB . 18118 1 751 . 1 1 70 70 LYS CG C 13 23.026 0.166 . 1 . . . A 70 LYS CG . 18118 1 752 . 1 1 70 70 LYS CD C 13 26.281 0.166 . 1 . . . A 70 LYS CD . 18118 1 753 . 1 1 70 70 LYS CE C 13 39.686 0.166 . 1 . . . A 70 LYS CE . 18118 1 754 . 1 1 70 70 LYS N N 15 118.403 0.106 . 1 . . . A 70 LYS N . 18118 1 755 . 1 1 71 71 ALA H H 1 8.160 0.006 . 1 . . . A 71 ALA H . 18118 1 756 . 1 1 71 71 ALA HA H 1 4.027 0.006 . 1 . . . A 71 ALA HA . 18118 1 757 . 1 1 71 71 ALA HB1 H 1 1.365 0.006 . 1 . . . A 71 ALA QB . 18118 1 758 . 1 1 71 71 ALA HB2 H 1 1.365 0.006 . 1 . . . A 71 ALA QB . 18118 1 759 . 1 1 71 71 ALA HB3 H 1 1.365 0.006 . 1 . . . A 71 ALA QB . 18118 1 760 . 1 1 71 71 ALA CA C 13 52.743 0.166 . 1 . . . A 71 ALA CA . 18118 1 761 . 1 1 71 71 ALA CB C 13 16.114 0.166 . 1 . . . A 71 ALA CB . 18118 1 762 . 1 1 71 71 ALA N N 15 124.650 0.106 . 1 . . . A 71 ALA N . 18118 1 763 . 1 1 72 72 LEU H H 1 8.055 0.006 . 1 . . . A 72 LEU H . 18118 1 764 . 1 1 72 72 LEU HA H 1 3.794 0.006 . 1 . . . A 72 LEU HA . 18118 1 765 . 1 1 72 72 LEU HB2 H 1 1.411 0.006 . 2 . . . A 72 LEU HB2 . 18118 1 766 . 1 1 72 72 LEU HB3 H 1 1.833 0.006 . 2 . . . A 72 LEU HB3 . 18118 1 767 . 1 1 72 72 LEU HG H 1 1.811 0.006 . 1 . . . A 72 LEU HG . 18118 1 768 . 1 1 72 72 LEU HD11 H 1 0.656 0.006 . 2 . . . A 72 LEU QD1 . 18118 1 769 . 1 1 72 72 LEU HD12 H 1 0.656 0.006 . 2 . . . A 72 LEU QD1 . 18118 1 770 . 1 1 72 72 LEU HD13 H 1 0.656 0.006 . 2 . . . A 72 LEU QD1 . 18118 1 771 . 1 1 72 72 LEU HD21 H 1 0.781 0.006 . 2 . . . A 72 LEU QD2 . 18118 1 772 . 1 1 72 72 LEU HD22 H 1 0.781 0.006 . 2 . . . A 72 LEU QD2 . 18118 1 773 . 1 1 72 72 LEU HD23 H 1 0.781 0.006 . 2 . . . A 72 LEU QD2 . 18118 1 774 . 1 1 72 72 LEU CA C 13 54.664 0.166 . 1 . . . A 72 LEU CA . 18118 1 775 . 1 1 72 72 LEU CB C 13 38.833 0.166 . 1 . . . A 72 LEU CB . 18118 1 776 . 1 1 72 72 LEU CG C 13 24.165 0.166 . 1 . . . A 72 LEU CG . 18118 1 777 . 1 1 72 72 LEU CD1 C 13 20.041 0.166 . 2 . . . A 72 LEU CD1 . 18118 1 778 . 1 1 72 72 LEU CD2 C 13 23.495 0.166 . 2 . . . A 72 LEU CD2 . 18118 1 779 . 1 1 72 72 LEU N N 15 116.557 0.106 . 1 . . . A 72 LEU N . 18118 1 780 . 1 1 73 73 GLU H H 1 7.369 0.006 . 1 . . . A 73 GLU H . 18118 1 781 . 1 1 73 73 GLU HA H 1 4.090 0.006 . 1 . . . A 73 GLU HA . 18118 1 782 . 1 1 73 73 GLU HB2 H 1 2.085 0.006 . 2 . . . A 73 GLU QB . 18118 1 783 . 1 1 73 73 GLU HB3 H 1 2.085 0.006 . 2 . . . A 73 GLU QB . 18118 1 784 . 1 1 73 73 GLU HG2 H 1 2.240 0.006 . 2 . . . A 73 GLU HG2 . 18118 1 785 . 1 1 73 73 GLU HG3 H 1 2.581 0.006 . 2 . . . A 73 GLU HG3 . 18118 1 786 . 1 1 73 73 GLU CA C 13 55.462 0.166 . 1 . . . A 73 GLU CA . 18118 1 787 . 1 1 73 73 GLU CB C 13 26.806 0.166 . 1 . . . A 73 GLU CB . 18118 1 788 . 1 1 73 73 GLU CG C 13 33.996 0.166 . 1 . . . A 73 GLU CG . 18118 1 789 . 1 1 73 73 GLU N N 15 117.807 0.106 . 1 . . . A 73 GLU N . 18118 1 790 . 1 1 74 74 LYS H H 1 7.805 0.006 . 1 . . . A 74 LYS H . 18118 1 791 . 1 1 74 74 LYS HA H 1 4.192 0.006 . 1 . . . A 74 LYS HA . 18118 1 792 . 1 1 74 74 LYS HB2 H 1 1.744 0.006 . 2 . . . A 74 LYS HB2 . 18118 1 793 . 1 1 74 74 LYS HB3 H 1 1.859 0.006 . 2 . . . A 74 LYS HB3 . 18118 1 794 . 1 1 74 74 LYS HG2 H 1 1.007 0.006 . 2 . . . A 74 LYS HG2 . 18118 1 795 . 1 1 74 74 LYS HG3 H 1 1.312 0.006 . 2 . . . A 74 LYS HG3 . 18118 1 796 . 1 1 74 74 LYS HD2 H 1 1.142 0.006 . 2 . . . A 74 LYS QD . 18118 1 797 . 1 1 74 74 LYS HD3 H 1 1.142 0.006 . 2 . . . A 74 LYS QD . 18118 1 798 . 1 1 74 74 LYS HE2 H 1 2.601 0.006 . 2 . . . A 74 LYS QE . 18118 1 799 . 1 1 74 74 LYS HE3 H 1 2.601 0.006 . 2 . . . A 74 LYS QE . 18118 1 800 . 1 1 74 74 LYS CA C 13 51.741 0.166 . 1 . . . A 74 LYS CA . 18118 1 801 . 1 1 74 74 LYS CB C 13 28.464 0.166 . 1 . . . A 74 LYS CB . 18118 1 802 . 1 1 74 74 LYS CG C 13 21.902 0.166 . 1 . . . A 74 LYS CG . 18118 1 803 . 1 1 74 74 LYS CD C 13 24.866 0.166 . 1 . . . A 74 LYS CD . 18118 1 804 . 1 1 74 74 LYS CE C 13 39.743 0.166 . 1 . . . A 74 LYS CE . 18118 1 805 . 1 1 74 74 LYS N N 15 116.715 0.106 . 1 . . . A 74 LYS N . 18118 1 806 . 1 1 75 75 HIS H H 1 7.184 0.006 . 1 . . . A 75 HIS H . 18118 1 807 . 1 1 75 75 HIS HA H 1 4.328 0.006 . 1 . . . A 75 HIS HA . 18118 1 808 . 1 1 75 75 HIS HB2 H 1 3.114 0.006 . 2 . . . A 75 HIS HB2 . 18118 1 809 . 1 1 75 75 HIS HB3 H 1 3.019 0.006 . 2 . . . A 75 HIS HB3 . 18118 1 810 . 1 1 75 75 HIS HD2 H 1 6.896 0.006 . 1 . . . A 75 HIS HD2 . 18118 1 811 . 1 1 75 75 HIS CA C 13 55.811 0.166 . 1 . . . A 75 HIS CA . 18118 1 812 . 1 1 75 75 HIS CB C 13 29.583 0.166 . 1 . . . A 75 HIS CB . 18118 1 813 . 1 1 75 75 HIS CD2 C 13 112.793 0.166 . 1 . . . A 75 HIS CD2 . 18118 1 814 . 1 1 75 75 HIS N N 15 117.177 0.106 . 1 . . . A 75 HIS N . 18118 1 815 . 1 1 76 76 ARG H H 1 9.042 0.006 . 1 . . . A 76 ARG H . 18118 1 816 . 1 1 76 76 ARG HA H 1 4.306 0.006 . 1 . . . A 76 ARG HA . 18118 1 817 . 1 1 76 76 ARG HB2 H 1 1.741 0.006 . 2 . . . A 76 ARG QB . 18118 1 818 . 1 1 76 76 ARG HB3 H 1 1.741 0.006 . 2 . . . A 76 ARG QB . 18118 1 819 . 1 1 76 76 ARG CA C 13 55.719 0.166 . 1 . . . A 76 ARG CA . 18118 1 820 . 1 1 76 76 ARG CB C 13 33.288 0.166 . 1 . . . A 76 ARG CB . 18118 1 821 . 1 1 76 76 ARG N N 15 121.753 0.106 . 1 . . . A 76 ARG N . 18118 1 822 . 1 1 77 77 MET H H 1 7.835 0.006 . 1 . . . A 77 MET H . 18118 1 823 . 1 1 77 77 MET HA H 1 4.598 0.006 . 1 . . . A 77 MET HA . 18118 1 824 . 1 1 77 77 MET HB2 H 1 2.521 0.006 . 2 . . . A 77 MET HB2 . 18118 1 825 . 1 1 77 77 MET HB3 H 1 2.377 0.006 . 2 . . . A 77 MET HB3 . 18118 1 826 . 1 1 77 77 MET HG2 H 1 2.157 0.006 . 2 . . . A 77 MET QG . 18118 1 827 . 1 1 77 77 MET HG3 H 1 2.157 0.006 . 2 . . . A 77 MET QG . 18118 1 828 . 1 1 77 77 MET HE1 H 1 2.045 0.006 . 1 . . . A 77 MET QE . 18118 1 829 . 1 1 77 77 MET HE2 H 1 2.045 0.006 . 1 . . . A 77 MET QE . 18118 1 830 . 1 1 77 77 MET HE3 H 1 2.045 0.006 . 1 . . . A 77 MET QE . 18118 1 831 . 1 1 77 77 MET CA C 13 52.590 0.166 . 1 . . . A 77 MET CA . 18118 1 832 . 1 1 77 77 MET CB C 13 31.234 0.166 . 1 . . . A 77 MET CB . 18118 1 833 . 1 1 77 77 MET CE C 13 15.207 0.166 . 1 . . . A 77 MET CE . 18118 1 834 . 1 1 77 77 MET N N 15 117.206 0.106 . 1 . . . A 77 MET N . 18118 1 835 . 1 1 78 78 TYR H H 1 8.359 0.006 . 1 . . . A 78 TYR H . 18118 1 836 . 1 1 78 78 TYR HA H 1 4.602 0.006 . 1 . . . A 78 TYR HA . 18118 1 837 . 1 1 78 78 TYR HB2 H 1 2.741 0.006 . 2 . . . A 78 TYR HB2 . 18118 1 838 . 1 1 78 78 TYR HB3 H 1 2.671 0.006 . 2 . . . A 78 TYR HB3 . 18118 1 839 . 1 1 78 78 TYR HD1 H 1 6.749 0.006 . 3 . . . A 78 TYR QD . 18118 1 840 . 1 1 78 78 TYR HD2 H 1 6.749 0.006 . 3 . . . A 78 TYR QD . 18118 1 841 . 1 1 78 78 TYR HE1 H 1 6.601 0.006 . 3 . . . A 78 TYR QE . 18118 1 842 . 1 1 78 78 TYR HE2 H 1 6.601 0.006 . 3 . . . A 78 TYR QE . 18118 1 843 . 1 1 78 78 TYR CA C 13 56.028 0.166 . 1 . . . A 78 TYR CA . 18118 1 844 . 1 1 78 78 TYR CB C 13 37.334 0.166 . 1 . . . A 78 TYR CB . 18118 1 845 . 1 1 78 78 TYR CD1 C 13 127.970 0.166 . 3 . . . A 78 TYR CD1 . 18118 1 846 . 1 1 78 78 TYR CD2 C 13 127.966 0.166 . 3 . . . A 78 TYR CD2 . 18118 1 847 . 1 1 78 78 TYR CE1 C 13 113.250 0.166 . 3 . . . A 78 TYR CE1 . 18118 1 848 . 1 1 78 78 TYR CE2 C 13 113.253 0.166 . 3 . . . A 78 TYR CE2 . 18118 1 849 . 1 1 78 78 TYR N N 15 117.960 0.106 . 1 . . . A 78 TYR N . 18118 1 850 . 1 1 79 79 MET H H 1 8.642 0.006 . 1 . . . A 79 MET H . 18118 1 851 . 1 1 79 79 MET HA H 1 4.325 0.006 . 1 . . . A 79 MET HA . 18118 1 852 . 1 1 79 79 MET HB2 H 1 1.570 0.006 . 2 . . . A 79 MET HB2 . 18118 1 853 . 1 1 79 79 MET HB3 H 1 1.213 0.006 . 2 . . . A 79 MET HB3 . 18118 1 854 . 1 1 79 79 MET HG2 H 1 1.968 0.006 . 2 . . . A 79 MET HG2 . 18118 1 855 . 1 1 79 79 MET HG3 H 1 2.158 0.006 . 2 . . . A 79 MET HG3 . 18118 1 856 . 1 1 79 79 MET HE1 H 1 1.542 0.006 . 1 . . . A 79 MET QE . 18118 1 857 . 1 1 79 79 MET HE2 H 1 1.542 0.006 . 1 . . . A 79 MET QE . 18118 1 858 . 1 1 79 79 MET HE3 H 1 1.542 0.006 . 1 . . . A 79 MET QE . 18118 1 859 . 1 1 79 79 MET CA C 13 52.338 0.166 . 1 . . . A 79 MET CA . 18118 1 860 . 1 1 79 79 MET CB C 13 31.907 0.166 . 1 . . . A 79 MET CB . 18118 1 861 . 1 1 79 79 MET CG C 13 29.238 0.166 . 1 . . . A 79 MET CG . 18118 1 862 . 1 1 79 79 MET CE C 13 14.307 0.166 . 1 . . . A 79 MET CE . 18118 1 863 . 1 1 79 79 MET N N 15 124.673 0.106 . 1 . . . A 79 MET N . 18118 1 864 . 1 1 80 80 GLY H H 1 8.709 0.006 . 1 . . . A 80 GLY H . 18118 1 865 . 1 1 80 80 GLY HA2 H 1 3.534 0.006 . 2 . . . A 80 GLY HA2 . 18118 1 866 . 1 1 80 80 GLY HA3 H 1 3.858 0.006 . 2 . . . A 80 GLY HA3 . 18118 1 867 . 1 1 80 80 GLY CA C 13 44.426 0.166 . 1 . . . A 80 GLY CA . 18118 1 868 . 1 1 80 80 GLY N N 15 115.191 0.106 . 1 . . . A 80 GLY N . 18118 1 869 . 1 1 81 81 GLN H H 1 8.598 0.006 . 1 . . . A 81 GLN H . 18118 1 870 . 1 1 81 81 GLN HA H 1 4.147 0.006 . 1 . . . A 81 GLN HA . 18118 1 871 . 1 1 81 81 GLN HB2 H 1 2.209 0.006 . 2 . . . A 81 GLN HB2 . 18118 1 872 . 1 1 81 81 GLN HB3 H 1 1.888 0.006 . 2 . . . A 81 GLN HB3 . 18118 1 873 . 1 1 81 81 GLN HG2 H 1 2.243 0.006 . 2 . . . A 81 GLN QG . 18118 1 874 . 1 1 81 81 GLN HG3 H 1 2.243 0.006 . 2 . . . A 81 GLN QG . 18118 1 875 . 1 1 81 81 GLN HE21 H 1 7.459 0.006 . 2 . . . A 81 GLN HE21 . 18118 1 876 . 1 1 81 81 GLN HE22 H 1 6.759 0.006 . 2 . . . A 81 GLN HE22 . 18118 1 877 . 1 1 81 81 GLN CA C 13 53.557 0.166 . 1 . . . A 81 GLN CA . 18118 1 878 . 1 1 81 81 GLN CB C 13 26.736 0.166 . 1 . . . A 81 GLN CB . 18118 1 879 . 1 1 81 81 GLN CG C 13 31.902 0.166 . 1 . . . A 81 GLN CG . 18118 1 880 . 1 1 81 81 GLN N N 15 121.981 0.106 . 1 . . . A 81 GLN N . 18118 1 881 . 1 1 81 81 GLN NE2 N 15 112.312 0.106 . 1 . . . A 81 GLN NE2 . 18118 1 882 . 1 1 82 82 ARG H H 1 7.660 0.006 . 1 . . . A 82 ARG H . 18118 1 883 . 1 1 82 82 ARG HA H 1 4.500 0.006 . 1 . . . A 82 ARG HA . 18118 1 884 . 1 1 82 82 ARG HB2 H 1 1.888 0.006 . 2 . . . A 82 ARG HB2 . 18118 1 885 . 1 1 82 82 ARG HB3 H 1 1.714 0.006 . 2 . . . A 82 ARG HB3 . 18118 1 886 . 1 1 82 82 ARG HG2 H 1 1.521 0.006 . 2 . . . A 82 ARG HG2 . 18118 1 887 . 1 1 82 82 ARG HG3 H 1 1.417 0.006 . 2 . . . A 82 ARG HG3 . 18118 1 888 . 1 1 82 82 ARG HD2 H 1 3.036 0.006 . 2 . . . A 82 ARG QD . 18118 1 889 . 1 1 82 82 ARG HD3 H 1 3.036 0.006 . 2 . . . A 82 ARG QD . 18118 1 890 . 1 1 82 82 ARG CA C 13 51.593 0.166 . 1 . . . A 82 ARG CA . 18118 1 891 . 1 1 82 82 ARG CB C 13 29.507 0.166 . 1 . . . A 82 ARG CB . 18118 1 892 . 1 1 82 82 ARG CG C 13 24.137 0.166 . 1 . . . A 82 ARG CG . 18118 1 893 . 1 1 82 82 ARG CD C 13 40.226 0.166 . 1 . . . A 82 ARG CD . 18118 1 894 . 1 1 82 82 ARG N N 15 118.652 0.106 . 1 . . . A 82 ARG N . 18118 1 895 . 1 1 84 84 VAL H H 1 8.222 0.006 . 1 . . . A 84 VAL H . 18118 1 896 . 1 1 84 84 VAL HA H 1 4.318 0.006 . 1 . . . A 84 VAL HA . 18118 1 897 . 1 1 84 84 VAL HB H 1 1.773 0.006 . 1 . . . A 84 VAL HB . 18118 1 898 . 1 1 84 84 VAL HG11 H 1 0.350 0.006 . 2 . . . A 84 VAL QG1 . 18118 1 899 . 1 1 84 84 VAL HG12 H 1 0.350 0.006 . 2 . . . A 84 VAL QG1 . 18118 1 900 . 1 1 84 84 VAL HG13 H 1 0.350 0.006 . 2 . . . A 84 VAL QG1 . 18118 1 901 . 1 1 84 84 VAL HG21 H 1 0.564 0.006 . 2 . . . A 84 VAL QG2 . 18118 1 902 . 1 1 84 84 VAL HG22 H 1 0.564 0.006 . 2 . . . A 84 VAL QG2 . 18118 1 903 . 1 1 84 84 VAL HG23 H 1 0.564 0.006 . 2 . . . A 84 VAL QG2 . 18118 1 904 . 1 1 84 84 VAL CA C 13 58.647 0.166 . 1 . . . A 84 VAL CA . 18118 1 905 . 1 1 84 84 VAL CB C 13 31.015 0.166 . 1 . . . A 84 VAL CB . 18118 1 906 . 1 1 84 84 VAL CG1 C 13 19.598 0.166 . 2 . . . A 84 VAL CG1 . 18118 1 907 . 1 1 84 84 VAL CG2 C 13 18.564 0.166 . 2 . . . A 84 VAL CG2 . 18118 1 908 . 1 1 84 84 VAL N N 15 125.216 0.106 . 1 . . . A 84 VAL N . 18118 1 909 . 1 1 86 86 VAL HA H 1 4.807 0.006 . 1 . . . A 86 VAL HA . 18118 1 910 . 1 1 86 86 VAL HB H 1 1.727 0.006 . 1 . . . A 86 VAL HB . 18118 1 911 . 1 1 86 86 VAL HG11 H 1 0.804 0.006 . 2 . . . A 86 VAL QG1 . 18118 1 912 . 1 1 86 86 VAL HG12 H 1 0.804 0.006 . 2 . . . A 86 VAL QG1 . 18118 1 913 . 1 1 86 86 VAL HG13 H 1 0.804 0.006 . 2 . . . A 86 VAL QG1 . 18118 1 914 . 1 1 86 86 VAL HG21 H 1 1.012 0.006 . 2 . . . A 86 VAL QG2 . 18118 1 915 . 1 1 86 86 VAL HG22 H 1 1.012 0.006 . 2 . . . A 86 VAL QG2 . 18118 1 916 . 1 1 86 86 VAL HG23 H 1 1.012 0.006 . 2 . . . A 86 VAL QG2 . 18118 1 917 . 1 1 86 86 VAL CA C 13 58.928 0.166 . 1 . . . A 86 VAL CA . 18118 1 918 . 1 1 86 86 VAL CB C 13 33.201 0.166 . 1 . . . A 86 VAL CB . 18118 1 919 . 1 1 86 86 VAL CG1 C 13 20.046 0.166 . 2 . . . A 86 VAL CG1 . 18118 1 920 . 1 1 86 86 VAL CG2 C 13 18.852 0.166 . 2 . . . A 86 VAL CG2 . 18118 1 921 . 1 1 86 86 VAL N N 15 120.000 0.106 . 1 . . . A 86 VAL N . 18118 1 922 . 1 1 87 87 TYR H H 1 8.731 0.006 . 1 . . . A 87 TYR H . 18118 1 923 . 1 1 87 87 TYR HA H 1 4.624 0.006 . 1 . . . A 87 TYR HA . 18118 1 924 . 1 1 87 87 TYR HB2 H 1 2.393 0.006 . 2 . . . A 87 TYR HB2 . 18118 1 925 . 1 1 87 87 TYR HB3 H 1 3.065 0.006 . 2 . . . A 87 TYR HB3 . 18118 1 926 . 1 1 87 87 TYR HD1 H 1 6.833 0.006 . 3 . . . A 87 TYR QD . 18118 1 927 . 1 1 87 87 TYR HD2 H 1 6.833 0.006 . 3 . . . A 87 TYR QD . 18118 1 928 . 1 1 87 87 TYR HE1 H 1 6.609 0.006 . 3 . . . A 87 TYR QE . 18118 1 929 . 1 1 87 87 TYR HE2 H 1 6.609 0.006 . 3 . . . A 87 TYR QE . 18118 1 930 . 1 1 87 87 TYR CA C 13 53.444 0.166 . 1 . . . A 87 TYR CA . 18118 1 931 . 1 1 87 87 TYR CB C 13 40.105 0.166 . 1 . . . A 87 TYR CB . 18118 1 932 . 1 1 87 87 TYR CD1 C 13 128.566 0.166 . 3 . . . A 87 TYR CD1 . 18118 1 933 . 1 1 87 87 TYR CD2 C 13 128.570 0.166 . 3 . . . A 87 TYR CD2 . 18118 1 934 . 1 1 87 87 TYR CE1 C 13 113.280 0.166 . 3 . . . A 87 TYR CE1 . 18118 1 935 . 1 1 87 87 TYR CE2 C 13 113.280 0.166 . 3 . . . A 87 TYR CE2 . 18118 1 936 . 1 1 87 87 TYR N N 15 120.377 0.106 . 1 . . . A 87 TYR N . 18118 1 937 . 1 1 88 88 GLU H H 1 8.873 0.006 . 1 . . . A 88 GLU H . 18118 1 938 . 1 1 88 88 GLU HA H 1 4.350 0.006 . 1 . . . A 88 GLU HA . 18118 1 939 . 1 1 88 88 GLU HB2 H 1 1.964 0.006 . 2 . . . A 88 GLU HB2 . 18118 1 940 . 1 1 88 88 GLU HB3 H 1 1.876 0.006 . 2 . . . A 88 GLU HB3 . 18118 1 941 . 1 1 88 88 GLU CA C 13 53.640 0.166 . 1 . . . A 88 GLU CA . 18118 1 942 . 1 1 88 88 GLU CB C 13 28.430 0.166 . 1 . . . A 88 GLU CB . 18118 1 943 . 1 1 88 88 GLU N N 15 122.304 0.106 . 1 . . . A 88 GLU N . 18118 1 944 . 1 1 89 89 ILE H H 1 7.983 0.006 . 1 . . . A 89 ILE H . 18118 1 945 . 1 1 89 89 ILE HA H 1 4.258 0.006 . 1 . . . A 89 ILE HA . 18118 1 946 . 1 1 89 89 ILE HB H 1 1.773 0.006 . 1 . . . A 89 ILE HB . 18118 1 947 . 1 1 89 89 ILE HG12 H 1 1.110 0.006 . 2 . . . A 89 ILE HG12 . 18118 1 948 . 1 1 89 89 ILE HG13 H 1 1.077 0.006 . 2 . . . A 89 ILE HG13 . 18118 1 949 . 1 1 89 89 ILE HG21 H 1 0.750 0.006 . 1 . . . A 89 ILE QG2 . 18118 1 950 . 1 1 89 89 ILE HG22 H 1 0.750 0.006 . 1 . . . A 89 ILE QG2 . 18118 1 951 . 1 1 89 89 ILE HG23 H 1 0.750 0.006 . 1 . . . A 89 ILE QG2 . 18118 1 952 . 1 1 89 89 ILE HD11 H 1 0.575 0.006 . 1 . . . A 89 ILE QD1 . 18118 1 953 . 1 1 89 89 ILE HD12 H 1 0.575 0.006 . 1 . . . A 89 ILE QD1 . 18118 1 954 . 1 1 89 89 ILE HD13 H 1 0.575 0.006 . 1 . . . A 89 ILE QD1 . 18118 1 955 . 1 1 89 89 ILE CA C 13 55.831 0.166 . 1 . . . A 89 ILE CA . 18118 1 956 . 1 1 89 89 ILE CB C 13 34.985 0.166 . 1 . . . A 89 ILE CB . 18118 1 957 . 1 1 89 89 ILE CG1 C 13 24.387 0.166 . 1 . . . A 89 ILE CG1 . 18118 1 958 . 1 1 89 89 ILE CG2 C 13 15.056 0.166 . 1 . . . A 89 ILE CG2 . 18118 1 959 . 1 1 89 89 ILE CD1 C 13 9.035 0.166 . 1 . . . A 89 ILE CD1 . 18118 1 960 . 1 1 89 89 ILE N N 15 125.082 0.106 . 1 . . . A 89 ILE N . 18118 1 961 . 1 1 90 90 ASN H H 1 8.890 0.006 . 1 . . . A 90 ASN H . 18118 1 962 . 1 1 90 90 ASN HA H 1 4.591 0.006 . 1 . . . A 90 ASN HA . 18118 1 963 . 1 1 90 90 ASN HB2 H 1 2.745 0.006 . 2 . . . A 90 ASN HB2 . 18118 1 964 . 1 1 90 90 ASN HB3 H 1 2.792 0.006 . 2 . . . A 90 ASN HB3 . 18118 1 965 . 1 1 90 90 ASN HD21 H 1 7.637 0.006 . 2 . . . A 90 ASN HD21 . 18118 1 966 . 1 1 90 90 ASN HD22 H 1 6.877 0.006 . 2 . . . A 90 ASN HD22 . 18118 1 967 . 1 1 90 90 ASN CA C 13 50.615 0.166 . 1 . . . A 90 ASN CA . 18118 1 968 . 1 1 90 90 ASN CB C 13 36.638 0.166 . 1 . . . A 90 ASN CB . 18118 1 969 . 1 1 90 90 ASN N N 15 126.142 0.106 . 1 . . . A 90 ASN N . 18118 1 970 . 1 1 90 90 ASN ND2 N 15 113.010 0.106 . 1 . . . A 90 ASN ND2 . 18118 1 971 . 1 1 91 91 ASN H H 1 8.867 0.006 . 1 . . . A 91 ASN H . 18118 1 972 . 1 1 91 91 ASN HA H 1 4.296 0.006 . 1 . . . A 91 ASN HA . 18118 1 973 . 1 1 91 91 ASN HB2 H 1 2.754 0.006 . 2 . . . A 91 ASN HB2 . 18118 1 974 . 1 1 91 91 ASN HB3 H 1 2.673 0.006 . 2 . . . A 91 ASN HB3 . 18118 1 975 . 1 1 91 91 ASN HD21 H 1 6.906 0.006 . 2 . . . A 91 ASN HD21 . 18118 1 976 . 1 1 91 91 ASN HD22 H 1 7.627 0.006 . 2 . . . A 91 ASN HD22 . 18118 1 977 . 1 1 91 91 ASN CA C 13 53.950 0.166 . 1 . . . A 91 ASN CA . 18118 1 978 . 1 1 91 91 ASN CB C 13 36.305 0.166 . 1 . . . A 91 ASN CB . 18118 1 979 . 1 1 91 91 ASN N N 15 121.333 0.106 . 1 . . . A 91 ASN N . 18118 1 980 . 1 1 91 91 ASN ND2 N 15 112.961 0.106 . 1 . . . A 91 ASN ND2 . 18118 1 981 . 1 1 92 92 GLU H H 1 8.869 0.006 . 1 . . . A 92 GLU H . 18118 1 982 . 1 1 92 92 GLU HA H 1 4.092 0.006 . 1 . . . A 92 GLU HA . 18118 1 983 . 1 1 92 92 GLU HB2 H 1 1.879 0.006 . 2 . . . A 92 GLU HB2 . 18118 1 984 . 1 1 92 92 GLU HB3 H 1 1.951 0.006 . 2 . . . A 92 GLU HB3 . 18118 1 985 . 1 1 92 92 GLU HG2 H 1 2.219 0.006 . 2 . . . A 92 GLU HG2 . 18118 1 986 . 1 1 92 92 GLU HG3 H 1 2.166 0.006 . 2 . . . A 92 GLU HG3 . 18118 1 987 . 1 1 92 92 GLU CA C 13 55.551 0.166 . 1 . . . A 92 GLU CA . 18118 1 988 . 1 1 92 92 GLU CB C 13 26.767 0.166 . 1 . . . A 92 GLU CB . 18118 1 989 . 1 1 92 92 GLU CG C 13 33.883 0.166 . 1 . . . A 92 GLU CG . 18118 1 990 . 1 1 92 92 GLU N N 15 117.848 0.106 . 1 . . . A 92 GLU N . 18118 1 991 . 1 1 93 93 ASP H H 1 7.965 0.006 . 1 . . . A 93 ASP H . 18118 1 992 . 1 1 93 93 ASP HA H 1 4.652 0.006 . 1 . . . A 93 ASP HA . 18118 1 993 . 1 1 93 93 ASP HB2 H 1 2.678 0.006 . 2 . . . A 93 ASP HB2 . 18118 1 994 . 1 1 93 93 ASP HB3 H 1 2.598 0.006 . 2 . . . A 93 ASP HB3 . 18118 1 995 . 1 1 93 93 ASP CA C 13 52.137 0.166 . 1 . . . A 93 ASP CA . 18118 1 996 . 1 1 93 93 ASP CB C 13 39.522 0.166 . 1 . . . A 93 ASP CB . 18118 1 997 . 1 1 93 93 ASP N N 15 118.819 0.106 . 1 . . . A 93 ASP N . 18118 1 998 . 1 1 94 94 VAL H H 1 7.406 0.006 . 1 . . . A 94 VAL H . 18118 1 999 . 1 1 94 94 VAL HA H 1 3.274 0.006 . 1 . . . A 94 VAL HA . 18118 1 1000 . 1 1 94 94 VAL HB H 1 1.968 0.006 . 1 . . . A 94 VAL HB . 18118 1 1001 . 1 1 94 94 VAL HG11 H 1 0.753 0.006 . 1 . . . A 94 VAL QQG . 18118 1 1002 . 1 1 94 94 VAL HG12 H 1 0.753 0.006 . 1 . . . A 94 VAL QQG . 18118 1 1003 . 1 1 94 94 VAL HG13 H 1 0.753 0.006 . 1 . . . A 94 VAL QQG . 18118 1 1004 . 1 1 94 94 VAL HG21 H 1 0.753 0.006 . 1 . . . A 94 VAL QQG . 18118 1 1005 . 1 1 94 94 VAL HG22 H 1 0.753 0.006 . 1 . . . A 94 VAL QQG . 18118 1 1006 . 1 1 94 94 VAL HG23 H 1 0.753 0.006 . 1 . . . A 94 VAL QQG . 18118 1 1007 . 1 1 94 94 VAL CA C 13 64.179 0.166 . 1 . . . A 94 VAL CA . 18118 1 1008 . 1 1 94 94 VAL CB C 13 29.477 0.166 . 1 . . . A 94 VAL CB . 18118 1 1009 . 1 1 94 94 VAL CG1 C 13 18.867 0.166 . 2 . . . A 94 VAL CG1 . 18118 1 1010 . 1 1 94 94 VAL CG2 C 13 15.071 0.166 . 2 . . . A 94 VAL CG2 . 18118 1 1011 . 1 1 94 94 VAL N N 15 120.480 0.106 . 1 . . . A 94 VAL N . 18118 1 1012 . 1 1 95 95 ASP H H 1 8.342 0.006 . 1 . . . A 95 ASP H . 18118 1 1013 . 1 1 95 95 ASP HA H 1 4.155 0.006 . 1 . . . A 95 ASP HA . 18118 1 1014 . 1 1 95 95 ASP HB2 H 1 2.574 0.006 . 2 . . . A 95 ASP HB2 . 18118 1 1015 . 1 1 95 95 ASP HB3 H 1 2.482 0.006 . 2 . . . A 95 ASP HB3 . 18118 1 1016 . 1 1 95 95 ASP CA C 13 55.216 0.166 . 1 . . . A 95 ASP CA . 18118 1 1017 . 1 1 95 95 ASP CB C 13 38.627 0.166 . 1 . . . A 95 ASP CB . 18118 1 1018 . 1 1 95 95 ASP N N 15 119.806 0.106 . 1 . . . A 95 ASP N . 18118 1 1019 . 1 1 96 96 ALA H H 1 8.162 0.006 . 1 . . . A 96 ALA H . 18118 1 1020 . 1 1 96 96 ALA HA H 1 3.926 0.006 . 1 . . . A 96 ALA HA . 18118 1 1021 . 1 1 96 96 ALA HB1 H 1 1.342 0.006 . 1 . . . A 96 ALA QB . 18118 1 1022 . 1 1 96 96 ALA HB2 H 1 1.342 0.006 . 1 . . . A 96 ALA QB . 18118 1 1023 . 1 1 96 96 ALA HB3 H 1 1.342 0.006 . 1 . . . A 96 ALA QB . 18118 1 1024 . 1 1 96 96 ALA CA C 13 52.140 0.166 . 1 . . . A 96 ALA CA . 18118 1 1025 . 1 1 96 96 ALA CB C 13 15.676 0.166 . 1 . . . A 96 ALA CB . 18118 1 1026 . 1 1 96 96 ALA N N 15 119.946 0.106 . 1 . . . A 96 ALA N . 18118 1 1027 . 1 1 97 97 LEU H H 1 7.679 0.006 . 1 . . . A 97 LEU H . 18118 1 1028 . 1 1 97 97 LEU HA H 1 3.985 0.006 . 1 . . . A 97 LEU HA . 18118 1 1029 . 1 1 97 97 LEU HB2 H 1 1.307 0.006 . 2 . . . A 97 LEU HB2 . 18118 1 1030 . 1 1 97 97 LEU HB3 H 1 1.647 0.006 . 2 . . . A 97 LEU HB3 . 18118 1 1031 . 1 1 97 97 LEU HG H 1 1.575 0.006 . 1 . . . A 97 LEU HG . 18118 1 1032 . 1 1 97 97 LEU HD11 H 1 0.726 0.006 . 2 . . . A 97 LEU QD1 . 18118 1 1033 . 1 1 97 97 LEU HD12 H 1 0.726 0.006 . 2 . . . A 97 LEU QD1 . 18118 1 1034 . 1 1 97 97 LEU HD13 H 1 0.726 0.006 . 2 . . . A 97 LEU QD1 . 18118 1 1035 . 1 1 97 97 LEU HD21 H 1 0.710 0.006 . 2 . . . A 97 LEU QD2 . 18118 1 1036 . 1 1 97 97 LEU HD22 H 1 0.710 0.006 . 2 . . . A 97 LEU QD2 . 18118 1 1037 . 1 1 97 97 LEU HD23 H 1 0.710 0.006 . 2 . . . A 97 LEU QD2 . 18118 1 1038 . 1 1 97 97 LEU CA C 13 54.831 0.166 . 1 . . . A 97 LEU CA . 18118 1 1039 . 1 1 97 97 LEU CB C 13 39.438 0.166 . 1 . . . A 97 LEU CB . 18118 1 1040 . 1 1 97 97 LEU CG C 13 24.399 0.166 . 1 . . . A 97 LEU CG . 18118 1 1041 . 1 1 97 97 LEU CD1 C 13 22.864 0.166 . 2 . . . A 97 LEU CD1 . 18118 1 1042 . 1 1 97 97 LEU CD2 C 13 21.374 0.166 . 2 . . . A 97 LEU CD2 . 18118 1 1043 . 1 1 97 97 LEU N N 15 119.391 0.106 . 1 . . . A 97 LEU N . 18118 1 1044 . 1 1 98 98 MET H H 1 8.504 0.006 . 1 . . . A 98 MET H . 18118 1 1045 . 1 1 98 98 MET HA H 1 4.128 0.006 . 1 . . . A 98 MET HA . 18118 1 1046 . 1 1 98 98 MET HB2 H 1 2.082 0.006 . 2 . . . A 98 MET HB2 . 18118 1 1047 . 1 1 98 98 MET HB3 H 1 1.860 0.006 . 2 . . . A 98 MET HB3 . 18118 1 1048 . 1 1 98 98 MET HG2 H 1 2.532 0.006 . 2 . . . A 98 MET HG2 . 18118 1 1049 . 1 1 98 98 MET HG3 H 1 2.437 0.006 . 2 . . . A 98 MET HG3 . 18118 1 1050 . 1 1 98 98 MET HE1 H 1 1.737 0.006 . 1 . . . A 98 MET QE . 18118 1 1051 . 1 1 98 98 MET HE2 H 1 1.737 0.006 . 1 . . . A 98 MET QE . 18118 1 1052 . 1 1 98 98 MET HE3 H 1 1.737 0.006 . 1 . . . A 98 MET QE . 18118 1 1053 . 1 1 98 98 MET CA C 13 54.606 0.166 . 1 . . . A 98 MET CA . 18118 1 1054 . 1 1 98 98 MET CB C 13 27.902 0.166 . 1 . . . A 98 MET CB . 18118 1 1055 . 1 1 98 98 MET CG C 13 29.861 0.166 . 1 . . . A 98 MET CG . 18118 1 1056 . 1 1 98 98 MET CE C 13 13.700 0.166 . 1 . . . A 98 MET CE . 18118 1 1057 . 1 1 98 98 MET N N 15 118.055 0.106 . 1 . . . A 98 MET N . 18118 1 1058 . 1 1 99 99 LYS H H 1 7.986 0.006 . 1 . . . A 99 LYS H . 18118 1 1059 . 1 1 99 99 LYS HA H 1 3.971 0.006 . 1 . . . A 99 LYS HA . 18118 1 1060 . 1 1 99 99 LYS HB2 H 1 1.760 0.006 . 2 . . . A 99 LYS QB . 18118 1 1061 . 1 1 99 99 LYS HB3 H 1 1.760 0.006 . 2 . . . A 99 LYS QB . 18118 1 1062 . 1 1 99 99 LYS HG2 H 1 1.469 0.006 . 2 . . . A 99 LYS HG2 . 18118 1 1063 . 1 1 99 99 LYS HG3 H 1 1.337 0.006 . 2 . . . A 99 LYS HG3 . 18118 1 1064 . 1 1 99 99 LYS HD2 H 1 1.523 0.006 . 2 . . . A 99 LYS HD2 . 18118 1 1065 . 1 1 99 99 LYS HD3 H 1 1.606 0.006 . 2 . . . A 99 LYS HD3 . 18118 1 1066 . 1 1 99 99 LYS HE2 H 1 2.851 0.006 . 2 . . . A 99 LYS QE . 18118 1 1067 . 1 1 99 99 LYS HE3 H 1 2.851 0.006 . 2 . . . A 99 LYS QE . 18118 1 1068 . 1 1 99 99 LYS CA C 13 56.301 0.166 . 1 . . . A 99 LYS CA . 18118 1 1069 . 1 1 99 99 LYS CB C 13 29.692 0.166 . 1 . . . A 99 LYS CB . 18118 1 1070 . 1 1 99 99 LYS CG C 13 23.267 0.166 . 1 . . . A 99 LYS CG . 18118 1 1071 . 1 1 99 99 LYS CD C 13 26.446 0.166 . 1 . . . A 99 LYS CD . 18118 1 1072 . 1 1 99 99 LYS CE C 13 39.657 0.166 . 1 . . . A 99 LYS CE . 18118 1 1073 . 1 1 99 99 LYS N N 15 119.351 0.106 . 1 . . . A 99 LYS N . 18118 1 1074 . 1 1 100 100 SER H H 1 7.711 0.006 . 1 . . . A 100 SER H . 18118 1 1075 . 1 1 100 100 SER HA H 1 4.268 0.006 . 1 . . . A 100 SER HA . 18118 1 1076 . 1 1 100 100 SER HB2 H 1 3.924 0.006 . 2 . . . A 100 SER QB . 18118 1 1077 . 1 1 100 100 SER HB3 H 1 3.924 0.006 . 2 . . . A 100 SER QB . 18118 1 1078 . 1 1 100 100 SER CA C 13 57.764 0.166 . 1 . . . A 100 SER CA . 18118 1 1079 . 1 1 100 100 SER CB C 13 60.753 0.166 . 1 . . . A 100 SER CB . 18118 1 1080 . 1 1 100 100 SER N N 15 114.964 0.106 . 1 . . . A 100 SER N . 18118 1 1081 . 1 1 101 101 LEU H H 1 7.405 0.006 . 1 . . . A 101 LEU H . 18118 1 1082 . 1 1 101 101 LEU HA H 1 4.160 0.006 . 1 . . . A 101 LEU HA . 18118 1 1083 . 1 1 101 101 LEU HB2 H 1 1.657 0.006 . 2 . . . A 101 LEU HB2 . 18118 1 1084 . 1 1 101 101 LEU HB3 H 1 1.300 0.006 . 2 . . . A 101 LEU HB3 . 18118 1 1085 . 1 1 101 101 LEU HG H 1 1.705 0.006 . 1 . . . A 101 LEU HG . 18118 1 1086 . 1 1 101 101 LEU HD11 H 1 0.470 0.006 . 2 . . . A 101 LEU QD1 . 18118 1 1087 . 1 1 101 101 LEU HD12 H 1 0.470 0.006 . 2 . . . A 101 LEU QD1 . 18118 1 1088 . 1 1 101 101 LEU HD13 H 1 0.470 0.006 . 2 . . . A 101 LEU QD1 . 18118 1 1089 . 1 1 101 101 LEU HD21 H 1 0.602 0.006 . 2 . . . A 101 LEU QD2 . 18118 1 1090 . 1 1 101 101 LEU HD22 H 1 0.602 0.006 . 2 . . . A 101 LEU QD2 . 18118 1 1091 . 1 1 101 101 LEU HD23 H 1 0.602 0.006 . 2 . . . A 101 LEU QD2 . 18118 1 1092 . 1 1 101 101 LEU CA C 13 52.893 0.166 . 1 . . . A 101 LEU CA . 18118 1 1093 . 1 1 101 101 LEU CB C 13 39.541 0.166 . 1 . . . A 101 LEU CB . 18118 1 1094 . 1 1 101 101 LEU CG C 13 23.495 0.166 . 1 . . . A 101 LEU CG . 18118 1 1095 . 1 1 101 101 LEU CD1 C 13 22.687 0.166 . 2 . . . A 101 LEU CD1 . 18118 1 1096 . 1 1 101 101 LEU CD2 C 13 20.186 0.166 . 2 . . . A 101 LEU CD2 . 18118 1 1097 . 1 1 101 101 LEU N N 15 120.679 0.106 . 1 . . . A 101 LEU N . 18118 1 1098 . 1 1 102 102 GLN H H 1 7.588 0.006 . 1 . . . A 102 GLN H . 18118 1 1099 . 1 1 102 102 GLN HA H 1 4.195 0.006 . 1 . . . A 102 GLN HA . 18118 1 1100 . 1 1 102 102 GLN HB2 H 1 2.062 0.006 . 2 . . . A 102 GLN HB2 . 18118 1 1101 . 1 1 102 102 GLN HB3 H 1 1.975 0.006 . 2 . . . A 102 GLN HB3 . 18118 1 1102 . 1 1 102 102 GLN HG2 H 1 2.291 0.006 . 2 . . . A 102 GLN HG2 . 18118 1 1103 . 1 1 102 102 GLN HG3 H 1 2.351 0.006 . 2 . . . A 102 GLN HG3 . 18118 1 1104 . 1 1 102 102 GLN HE21 H 1 7.403 0.006 . 2 . . . A 102 GLN HE21 . 18118 1 1105 . 1 1 102 102 GLN HE22 H 1 6.799 0.006 . 2 . . . A 102 GLN HE22 . 18118 1 1106 . 1 1 102 102 GLN CA C 13 53.360 0.166 . 1 . . . A 102 GLN CA . 18118 1 1107 . 1 1 102 102 GLN CB C 13 26.480 0.166 . 1 . . . A 102 GLN CB . 18118 1 1108 . 1 1 102 102 GLN CG C 13 31.394 0.166 . 1 . . . A 102 GLN CG . 18118 1 1109 . 1 1 102 102 GLN N N 15 117.646 0.106 . 1 . . . A 102 GLN N . 18118 1 1110 . 1 1 102 102 GLN NE2 N 15 111.860 0.106 . 1 . . . A 102 GLN NE2 . 18118 1 1111 . 1 1 103 103 VAL H H 1 7.839 0.006 . 1 . . . A 103 VAL H . 18118 1 1112 . 1 1 103 103 VAL HA H 1 4.015 0.006 . 1 . . . A 103 VAL HA . 18118 1 1113 . 1 1 103 103 VAL HB H 1 1.993 0.006 . 1 . . . A 103 VAL HB . 18118 1 1114 . 1 1 103 103 VAL HG11 H 1 0.875 0.006 . 2 . . . A 103 VAL QG1 . 18118 1 1115 . 1 1 103 103 VAL HG12 H 1 0.875 0.006 . 2 . . . A 103 VAL QG1 . 18118 1 1116 . 1 1 103 103 VAL HG13 H 1 0.875 0.006 . 2 . . . A 103 VAL QG1 . 18118 1 1117 . 1 1 103 103 VAL HG21 H 1 0.838 0.006 . 2 . . . A 103 VAL QG2 . 18118 1 1118 . 1 1 103 103 VAL HG22 H 1 0.838 0.006 . 2 . . . A 103 VAL QG2 . 18118 1 1119 . 1 1 103 103 VAL HG23 H 1 0.838 0.006 . 2 . . . A 103 VAL QG2 . 18118 1 1120 . 1 1 103 103 VAL CA C 13 59.755 0.166 . 1 . . . A 103 VAL CA . 18118 1 1121 . 1 1 103 103 VAL CB C 13 30.579 0.166 . 1 . . . A 103 VAL CB . 18118 1 1122 . 1 1 103 103 VAL CG1 C 13 18.398 0.166 . 2 . . . A 103 VAL CG1 . 18118 1 1123 . 1 1 103 103 VAL CG2 C 13 18.701 0.166 . 2 . . . A 103 VAL CG2 . 18118 1 1124 . 1 1 103 103 VAL N N 15 120.269 0.106 . 1 . . . A 103 VAL N . 18118 1 1125 . 1 1 104 104 LYS H H 1 8.364 0.006 . 1 . . . A 104 LYS H . 18118 1 1126 . 1 1 104 104 LYS HA H 1 4.343 0.006 . 1 . . . A 104 LYS HA . 18118 1 1127 . 1 1 104 104 LYS HB2 H 1 1.785 0.006 . 2 . . . A 104 LYS HB2 . 18118 1 1128 . 1 1 104 104 LYS HB3 H 1 1.680 0.006 . 2 . . . A 104 LYS HB3 . 18118 1 1129 . 1 1 104 104 LYS HG3 H 1 1.362 0.006 . 2 . . . A 104 LYS HG3 . 18118 1 1130 . 1 1 104 104 LYS HD2 H 1 1.618 0.006 . 2 . . . A 104 LYS QD . 18118 1 1131 . 1 1 104 104 LYS HD3 H 1 1.618 0.006 . 2 . . . A 104 LYS QD . 18118 1 1132 . 1 1 104 104 LYS HE2 H 1 2.930 0.006 . 2 . . . A 104 LYS HE2 . 18118 1 1133 . 1 1 104 104 LYS HE3 H 1 2.905 0.006 . 2 . . . A 104 LYS HE3 . 18118 1 1134 . 1 1 104 104 LYS CA C 13 53.348 0.166 . 1 . . . A 104 LYS CA . 18118 1 1135 . 1 1 104 104 LYS CB C 13 30.634 0.166 . 1 . . . A 104 LYS CB . 18118 1 1136 . 1 1 104 104 LYS CG C 13 22.169 0.166 . 1 . . . A 104 LYS CG . 18118 1 1137 . 1 1 104 104 LYS CD C 13 26.569 0.166 . 1 . . . A 104 LYS CD . 18118 1 1138 . 1 1 104 104 LYS CE C 13 39.686 0.166 . 1 . . . A 104 LYS CE . 18118 1 1139 . 1 1 104 104 LYS N N 15 125.201 0.106 . 1 . . . A 104 LYS N . 18118 1 1140 . 1 1 105 105 SER H H 1 8.354 0.006 . 1 . . . A 105 SER H . 18118 1 1141 . 1 1 105 105 SER HA H 1 4.401 0.006 . 1 . . . A 105 SER HA . 18118 1 1142 . 1 1 105 105 SER HB2 H 1 3.795 0.006 . 2 . . . A 105 SER HB2 . 18118 1 1143 . 1 1 105 105 SER HB3 H 1 3.777 0.006 . 2 . . . A 105 SER HB3 . 18118 1 1144 . 1 1 105 105 SER CA C 13 55.611 0.166 . 1 . . . A 105 SER CA . 18118 1 1145 . 1 1 105 105 SER CB C 13 61.286 0.166 . 1 . . . A 105 SER CB . 18118 1 1146 . 1 1 105 105 SER N N 15 117.664 0.106 . 1 . . . A 105 SER N . 18118 1 stop_ save_