data_17855 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 17855 _Entry.Title ; Backbone 1H, 13C, and 15N Chemical Shift Assignments for high mobility group protein-like protein NHP1 from Babesia bovis T2Bo. Seattle Structure Genomics Center for Infectious Disease (SSGCID) ; _Entry.Type macromolecule _Entry.Version_type new _Entry.Submission_date 2011-08-11 _Entry.Accession_date 2011-08-11 _Entry.Last_release_date 2011-08-31 _Entry.Original_release_date 2011-08-31 _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 'NMR, 10 STRUCTURES' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Ravi Barnwal . P. . 17855 2 Gabriele Varani . . . 17855 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID . 'PSI, Protein Structure Initiative' 'Seattle Structural Genomics Center for Infectious Disease (SSGCID)' . 17855 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Babesia bovis' . 17855 'NMR Structure' . 17855 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 17855 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 386 17855 '15N chemical shifts' 89 17855 '1H chemical shifts' 544 17855 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 1 . . 2011-08-31 2011-08-11 original author . 17855 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LHJ 'BMRB Entry Tracking System' 17855 stop_ save_ ############### # Citations # ############### save_citation_1 _Citation.Sf_category citations _Citation.Sf_framecode citation_1 _Citation.Entry_ID 17855 _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 '1H and 15N Assigned Chemical Shifts for high mobility group protein-like protein NHP1 from Babesia bovis' _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 'Ravi Pratap' Barnwal . . . 17855 1 2 Gabriele Varani . . . 17855 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 17855 _Assembly.ID 1 _Assembly.Name NHP1 _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 NHP1 1 $NHP1 A . yes native no no . . . 17855 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_NHP1 _Entity.Sf_category entity _Entity.Sf_framecode NHP1 _Entity.Entry_ID 17855 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name high_mobility_group_protein-like_protein_NHP1 _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 ; MAGASDRTGVRRPRKAKKDP NAPKRALSSYMFFAKEKRVE IIAENPEIAKDVAAIGKMIG AAWNALSDEEKKPYERMSDE DRVRYEREKAEYAQRKV ; _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 97 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'not present' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 11140.849 _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 2LHJ . "Nmr Structure Of The High Mobility Group Protein-Like Protein Nhp1 From Babesia Bovis T2bo (Baboa.00841.A)" . . . . . 100.00 97 100.00 100.00 1.39e-60 . . . . 17855 1 2 no DBJ BAN64348 . "high mobility group protein-like protein NHP1 [Babesia bovis]" . . . . . 100.00 97 98.97 100.00 6.39e-60 . . . . 17855 1 3 no DBJ BAN64485 . "high mobility group protein-like protein NHP1 [Babesia bovis]" . . . . . 100.00 97 100.00 100.00 1.39e-60 . . . . 17855 1 4 no GB AAA27799 . "non-histone protein [Babesia bovis]" . . . . . 100.00 97 100.00 100.00 1.39e-60 . . . . 17855 1 5 no GB EDO05788 . "high mobility group protein-like protein NHP1 [Babesia bovis]" . . . . . 100.00 97 100.00 100.00 1.39e-60 . . . . 17855 1 6 no REF XP_001609356 . "high mobility group protein-like protein NHP1 [Babesia bovis T2Bo]" . . . . . 100.00 97 100.00 100.00 1.39e-60 . . . . 17855 1 7 no SP P40632 . "RecName: Full=High mobility group protein homolog NHP1 [Babesia bovis]" . . . . . 100.00 97 100.00 100.00 1.39e-60 . . . . 17855 1 stop_ loop_ _Entity_comp_index.ID _Entity_comp_index.Auth_seq_ID _Entity_comp_index.Comp_ID _Entity_comp_index.Comp_label _Entity_comp_index.Entry_ID _Entity_comp_index.Entity_ID 1 . MET . 17855 1 2 . ALA . 17855 1 3 . GLY . 17855 1 4 . ALA . 17855 1 5 . SER . 17855 1 6 . ASP . 17855 1 7 . ARG . 17855 1 8 . THR . 17855 1 9 . GLY . 17855 1 10 . VAL . 17855 1 11 . ARG . 17855 1 12 . ARG . 17855 1 13 . PRO . 17855 1 14 . ARG . 17855 1 15 . LYS . 17855 1 16 . ALA . 17855 1 17 . LYS . 17855 1 18 . LYS . 17855 1 19 . ASP . 17855 1 20 . PRO . 17855 1 21 . ASN . 17855 1 22 . ALA . 17855 1 23 . PRO . 17855 1 24 . LYS . 17855 1 25 . ARG . 17855 1 26 . ALA . 17855 1 27 . LEU . 17855 1 28 . SER . 17855 1 29 . SER . 17855 1 30 . TYR . 17855 1 31 . MET . 17855 1 32 . PHE . 17855 1 33 . PHE . 17855 1 34 . ALA . 17855 1 35 . LYS . 17855 1 36 . GLU . 17855 1 37 . LYS . 17855 1 38 . ARG . 17855 1 39 . VAL . 17855 1 40 . GLU . 17855 1 41 . ILE . 17855 1 42 . ILE . 17855 1 43 . ALA . 17855 1 44 . GLU . 17855 1 45 . ASN . 17855 1 46 . PRO . 17855 1 47 . GLU . 17855 1 48 . ILE . 17855 1 49 . ALA . 17855 1 50 . LYS . 17855 1 51 . ASP . 17855 1 52 . VAL . 17855 1 53 . ALA . 17855 1 54 . ALA . 17855 1 55 . ILE . 17855 1 56 . GLY . 17855 1 57 . LYS . 17855 1 58 . MET . 17855 1 59 . ILE . 17855 1 60 . GLY . 17855 1 61 . ALA . 17855 1 62 . ALA . 17855 1 63 . TRP . 17855 1 64 . ASN . 17855 1 65 . ALA . 17855 1 66 . LEU . 17855 1 67 . SER . 17855 1 68 . ASP . 17855 1 69 . GLU . 17855 1 70 . GLU . 17855 1 71 . LYS . 17855 1 72 . LYS . 17855 1 73 . PRO . 17855 1 74 . TYR . 17855 1 75 . GLU . 17855 1 76 . ARG . 17855 1 77 . MET . 17855 1 78 . SER . 17855 1 79 . ASP . 17855 1 80 . GLU . 17855 1 81 . ASP . 17855 1 82 . ARG . 17855 1 83 . VAL . 17855 1 84 . ARG . 17855 1 85 . TYR . 17855 1 86 . GLU . 17855 1 87 . ARG . 17855 1 88 . GLU . 17855 1 89 . LYS . 17855 1 90 . ALA . 17855 1 91 . GLU . 17855 1 92 . TYR . 17855 1 93 . ALA . 17855 1 94 . GLN . 17855 1 95 . ARG . 17855 1 96 . LYS . 17855 1 97 . VAL . 17855 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . MET 1 1 17855 1 . ALA 2 2 17855 1 . GLY 3 3 17855 1 . ALA 4 4 17855 1 . SER 5 5 17855 1 . ASP 6 6 17855 1 . ARG 7 7 17855 1 . THR 8 8 17855 1 . GLY 9 9 17855 1 . VAL 10 10 17855 1 . ARG 11 11 17855 1 . ARG 12 12 17855 1 . PRO 13 13 17855 1 . ARG 14 14 17855 1 . LYS 15 15 17855 1 . ALA 16 16 17855 1 . LYS 17 17 17855 1 . LYS 18 18 17855 1 . ASP 19 19 17855 1 . PRO 20 20 17855 1 . ASN 21 21 17855 1 . ALA 22 22 17855 1 . PRO 23 23 17855 1 . LYS 24 24 17855 1 . ARG 25 25 17855 1 . ALA 26 26 17855 1 . LEU 27 27 17855 1 . SER 28 28 17855 1 . SER 29 29 17855 1 . TYR 30 30 17855 1 . MET 31 31 17855 1 . PHE 32 32 17855 1 . PHE 33 33 17855 1 . ALA 34 34 17855 1 . LYS 35 35 17855 1 . GLU 36 36 17855 1 . LYS 37 37 17855 1 . ARG 38 38 17855 1 . VAL 39 39 17855 1 . GLU 40 40 17855 1 . ILE 41 41 17855 1 . ILE 42 42 17855 1 . ALA 43 43 17855 1 . GLU 44 44 17855 1 . ASN 45 45 17855 1 . PRO 46 46 17855 1 . GLU 47 47 17855 1 . ILE 48 48 17855 1 . ALA 49 49 17855 1 . LYS 50 50 17855 1 . ASP 51 51 17855 1 . VAL 52 52 17855 1 . ALA 53 53 17855 1 . ALA 54 54 17855 1 . ILE 55 55 17855 1 . GLY 56 56 17855 1 . LYS 57 57 17855 1 . MET 58 58 17855 1 . ILE 59 59 17855 1 . GLY 60 60 17855 1 . ALA 61 61 17855 1 . ALA 62 62 17855 1 . TRP 63 63 17855 1 . ASN 64 64 17855 1 . ALA 65 65 17855 1 . LEU 66 66 17855 1 . SER 67 67 17855 1 . ASP 68 68 17855 1 . GLU 69 69 17855 1 . GLU 70 70 17855 1 . LYS 71 71 17855 1 . LYS 72 72 17855 1 . PRO 73 73 17855 1 . TYR 74 74 17855 1 . GLU 75 75 17855 1 . ARG 76 76 17855 1 . MET 77 77 17855 1 . SER 78 78 17855 1 . ASP 79 79 17855 1 . GLU 80 80 17855 1 . ASP 81 81 17855 1 . ARG 82 82 17855 1 . VAL 83 83 17855 1 . ARG 84 84 17855 1 . TYR 85 85 17855 1 . GLU 86 86 17855 1 . ARG 87 87 17855 1 . GLU 88 88 17855 1 . LYS 89 89 17855 1 . ALA 90 90 17855 1 . GLU 91 91 17855 1 . TYR 92 92 17855 1 . ALA 93 93 17855 1 . GLN 94 94 17855 1 . ARG 95 95 17855 1 . LYS 96 96 17855 1 . VAL 97 97 17855 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 17855 _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 $NHP1 . 5865 organism . 'Babesia bovis' 'Babesia bovis' . . Eukaryota . Babesia bovis . . . . . . . . . . . . . . . . . . . . . 17855 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 17855 _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 $NHP1 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . . . . . . . . . . . pET28-ava . . . . . . 17855 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 17855 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details . _Sample.Aggregate_sample_number . _Sample.Solvent_system '90% H2O/10% D2O' _Sample.Preparation_date . _Sample.Preparation_expiration_date . _Sample.Polycrystallization_protocol . _Sample.Single_crystal_protocol . _Sample.Crystal_grow_apparatus . _Sample.Crystal_grow_atmosphere . _Sample.Crystal_grow_details . _Sample.Crystal_grow_method . _Sample.Crystal_grow_method_cit_ID . _Sample.Crystal_grow_pH . _Sample.Crystal_grow_pH_range . _Sample.Crystal_grow_pressure . _Sample.Crystal_grow_pressure_esd . _Sample.Crystal_grow_seeding . _Sample.Crystal_grow_seeding_cit_ID . _Sample.Crystal_grow_temp . _Sample.Crystal_grow_temp_details . _Sample.Crystal_grow_temp_esd . _Sample.Crystal_grow_time . _Sample.Oriented_sample_prep_protocol . _Sample.Lyophilization_cryo_protectant . _Sample.Storage_protocol . loop_ _Sample_component.ID _Sample_component.Mol_common_name _Sample_component.Isotopic_labeling _Sample_component.Assembly_ID _Sample_component.Assembly_label _Sample_component.Entity_ID _Sample_component.Entity_label _Sample_component.Product_ID _Sample_component.Type _Sample_component.Concentration_val _Sample_component.Concentration_val_min _Sample_component.Concentration_val_max _Sample_component.Concentration_val_units _Sample_component.Concentration_val_err _Sample_component.Vendor _Sample_component.Vendor_product_name _Sample_component.Vendor_product_code _Sample_component.Entry_ID _Sample_component.Sample_ID 1 'high mobility group protein-like protein NHP1' '[U-98% 13C; U-98% 15N]' . . 1 $NHP1 . . 1.2 . . mM . . . . 17855 1 2 H2O 'natural abundance' . . . . . . 90 . . % . . . . 17855 1 3 D2O 'natural abundance' . . . . . . 10 . . % . . . . 17855 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 17855 _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 pH 7.0 . pH 17855 1 pressure 1 . atm 17855 1 temperature 298 . K 17855 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 17855 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 17855 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 17855 1 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 17855 _Software.ID 2 _Software.Name NMRPipe _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Delaglio, Grzesiek, Vuister, Zhu, Pfeifer and Bax' . . 17855 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 17855 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 17855 _Software.ID 3 _Software.Name CYANA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 17855 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 17855 3 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 17855 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model AMX _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 500 save_ save_spectrometer_2 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_2 _NMR_spectrometer.Entry_ID 17855 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 17855 _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 AMX . 500 . . . 17855 1 2 spectrometer_2 Bruker Avance . 600 . . . 17855 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 17855 _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 . . . . . . . . . . . . . . . . 17855 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17855 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17855 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17855 1 5 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17855 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17855 1 7 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17855 1 8 '3D HBHA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 17855 1 9 '3D HNHA' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17855 1 10 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 17855 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 17855 _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 . . . . . . . . . 17855 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 17855 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 17855 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 17855 _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' . . . 17855 1 5 '3D HNCACB' . . . 17855 1 6 '3D 1H-15N NOESY' . . . 17855 1 7 '3D 1H-13C NOESY' . . . 17855 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 MET HA H 1 4.401 0.050 . 1 . . . A 1 MET HA . 17855 1 2 . 1 1 1 1 MET HB3 H 1 2.040 0.004 . 2 . . . A 1 MET HB3 . 17855 1 3 . 1 1 1 1 MET C C 13 176.029 0.150 . 1 . . . A 1 MET C . 17855 1 4 . 1 1 1 1 MET CA C 13 55.140 0.150 . 1 . . . A 1 MET CA . 17855 1 5 . 1 1 1 1 MET CB C 13 32.479 0.150 . 1 . . . A 1 MET CB . 17855 1 6 . 1 1 1 1 MET CG C 13 31.551 0.150 . 1 . . . A 1 MET CG . 17855 1 7 . 1 1 1 1 MET CE C 13 20.984 0.150 . 1 . . . A 1 MET CE . 17855 1 8 . 1 1 2 2 ALA H H 1 8.260 0.013 . 1 . . . A 2 ALA H . 17855 1 9 . 1 1 2 2 ALA HA H 1 4.238 0.016 . 1 . . . A 2 ALA HA . 17855 1 10 . 1 1 2 2 ALA HB1 H 1 1.318 0.006 . 1 . . . A 2 ALA HB1 . 17855 1 11 . 1 1 2 2 ALA HB2 H 1 1.318 0.006 . 1 . . . A 2 ALA HB2 . 17855 1 12 . 1 1 2 2 ALA HB3 H 1 1.318 0.006 . 1 . . . A 2 ALA HB3 . 17855 1 13 . 1 1 2 2 ALA C C 13 178.146 0.150 . 1 . . . A 2 ALA C . 17855 1 14 . 1 1 2 2 ALA CA C 13 52.888 0.051 . 1 . . . A 2 ALA CA . 17855 1 15 . 1 1 2 2 ALA CB C 13 18.962 0.031 . 1 . . . A 2 ALA CB . 17855 1 16 . 1 1 2 2 ALA N N 15 125.361 0.089 . 1 . . . A 2 ALA N . 17855 1 17 . 1 1 3 3 GLY H H 1 8.374 0.007 . 1 . . . A 3 GLY H . 17855 1 18 . 1 1 3 3 GLY HA2 H 1 3.839 0.050 . 2 . . . A 3 GLY HA2 . 17855 1 19 . 1 1 3 3 GLY HA3 H 1 3.898 0.018 . 2 . . . A 3 GLY HA3 . 17855 1 20 . 1 1 3 3 GLY C C 13 174.006 0.150 . 1 . . . A 3 GLY C . 17855 1 21 . 1 1 3 3 GLY CA C 13 45.238 0.045 . 1 . . . A 3 GLY CA . 17855 1 22 . 1 1 3 3 GLY N N 15 108.648 0.014 . 1 . . . A 3 GLY N . 17855 1 23 . 1 1 4 4 ALA H H 1 8.080 0.010 . 1 . . . A 4 ALA H . 17855 1 24 . 1 1 4 4 ALA HA H 1 4.283 0.006 . 1 . . . A 4 ALA HA . 17855 1 25 . 1 1 4 4 ALA HB1 H 1 1.376 0.025 . 1 . . . A 4 ALA HB1 . 17855 1 26 . 1 1 4 4 ALA HB2 H 1 1.376 0.025 . 1 . . . A 4 ALA HB2 . 17855 1 27 . 1 1 4 4 ALA HB3 H 1 1.376 0.025 . 1 . . . A 4 ALA HB3 . 17855 1 28 . 1 1 4 4 ALA C C 13 178.029 0.150 . 1 . . . A 4 ALA C . 17855 1 29 . 1 1 4 4 ALA CA C 13 52.750 0.150 . 1 . . . A 4 ALA CA . 17855 1 30 . 1 1 4 4 ALA CB C 13 19.367 0.150 . 1 . . . A 4 ALA CB . 17855 1 31 . 1 1 4 4 ALA N N 15 123.630 0.038 . 1 . . . A 4 ALA N . 17855 1 32 . 1 1 5 5 SER H H 1 8.320 0.024 . 1 . . . A 5 SER H . 17855 1 33 . 1 1 5 5 SER HA H 1 4.327 0.050 . 1 . . . A 5 SER HA . 17855 1 34 . 1 1 5 5 SER HB2 H 1 3.794 0.050 . 2 . . . A 5 SER HB2 . 17855 1 35 . 1 1 5 5 SER C C 13 174.275 0.150 . 1 . . . A 5 SER C . 17855 1 36 . 1 1 5 5 SER CA C 13 58.498 0.150 . 1 . . . A 5 SER CA . 17855 1 37 . 1 1 5 5 SER CB C 13 63.741 0.150 . 1 . . . A 5 SER CB . 17855 1 38 . 1 1 5 5 SER N N 15 114.802 0.025 . 1 . . . A 5 SER N . 17855 1 39 . 1 1 6 6 ASP H H 1 8.227 0.006 . 1 . . . A 6 ASP H . 17855 1 40 . 1 1 6 6 ASP HA H 1 4.189 0.050 . 1 . . . A 6 ASP HA . 17855 1 41 . 1 1 6 6 ASP HB3 H 1 2.623 0.050 . 2 . . . A 6 ASP HB3 . 17855 1 42 . 1 1 6 6 ASP C C 13 176.279 0.150 . 1 . . . A 6 ASP C . 17855 1 43 . 1 1 6 6 ASP CA C 13 54.460 0.150 . 1 . . . A 6 ASP CA . 17855 1 44 . 1 1 6 6 ASP CB C 13 41.050 0.150 . 1 . . . A 6 ASP CB . 17855 1 45 . 1 1 6 6 ASP N N 15 122.135 0.152 . 1 . . . A 6 ASP N . 17855 1 46 . 1 1 7 7 ARG H H 1 8.295 0.007 . 1 . . . A 7 ARG H . 17855 1 47 . 1 1 7 7 ARG HA H 1 4.323 0.010 . 1 . . . A 7 ARG HA . 17855 1 48 . 1 1 7 7 ARG HB2 H 1 1.775 0.050 . 2 . . . A 7 ARG HB2 . 17855 1 49 . 1 1 7 7 ARG HB3 H 1 1.677 0.050 . 2 . . . A 7 ARG HB3 . 17855 1 50 . 1 1 7 7 ARG HG2 H 1 1.578 0.014 . 2 . . . A 7 ARG HG2 . 17855 1 51 . 1 1 7 7 ARG HG3 H 1 1.502 0.050 . 2 . . . A 7 ARG HG3 . 17855 1 52 . 1 1 7 7 ARG HD2 H 1 3.007 0.050 . 2 . . . A 7 ARG HD2 . 17855 1 53 . 1 1 7 7 ARG HD3 H 1 3.114 0.001 . 2 . . . A 7 ARG HD3 . 17855 1 54 . 1 1 7 7 ARG C C 13 176.632 0.150 . 1 . . . A 7 ARG C . 17855 1 55 . 1 1 7 7 ARG CA C 13 56.025 0.053 . 1 . . . A 7 ARG CA . 17855 1 56 . 1 1 7 7 ARG CB C 13 30.487 0.049 . 1 . . . A 7 ARG CB . 17855 1 57 . 1 1 7 7 ARG CG C 13 26.875 0.044 . 1 . . . A 7 ARG CG . 17855 1 58 . 1 1 7 7 ARG CD C 13 43.264 0.049 . 1 . . . A 7 ARG CD . 17855 1 59 . 1 1 7 7 ARG N N 15 121.235 0.100 . 1 . . . A 7 ARG N . 17855 1 60 . 1 1 8 8 THR H H 1 8.145 0.008 . 1 . . . A 8 THR H . 17855 1 61 . 1 1 8 8 THR HA H 1 4.230 0.003 . 1 . . . A 8 THR HA . 17855 1 62 . 1 1 8 8 THR HB H 1 4.160 0.001 . 1 . . . A 8 THR HB . 17855 1 63 . 1 1 8 8 THR HG21 H 1 1.130 0.001 . 1 . . . A 8 THR HG21 . 17855 1 64 . 1 1 8 8 THR HG22 H 1 1.130 0.001 . 1 . . . A 8 THR HG22 . 17855 1 65 . 1 1 8 8 THR HG23 H 1 1.130 0.001 . 1 . . . A 8 THR HG23 . 17855 1 66 . 1 1 8 8 THR C C 13 175.209 0.150 . 1 . . . A 8 THR C . 17855 1 67 . 1 1 8 8 THR CA C 13 62.392 0.033 . 1 . . . A 8 THR CA . 17855 1 68 . 1 1 8 8 THR CB C 13 69.961 0.030 . 1 . . . A 8 THR CB . 17855 1 69 . 1 1 8 8 THR CG2 C 13 21.512 0.040 . 1 . . . A 8 THR CG2 . 17855 1 70 . 1 1 8 8 THR N N 15 113.963 0.168 . 1 . . . A 8 THR N . 17855 1 71 . 1 1 9 9 GLY H H 1 8.355 0.012 . 1 . . . A 9 GLY H . 17855 1 72 . 1 1 9 9 GLY HA2 H 1 3.979 0.050 . 2 . . . A 9 GLY HA2 . 17855 1 73 . 1 1 9 9 GLY HA3 H 1 3.907 0.050 . 2 . . . A 9 GLY HA3 . 17855 1 74 . 1 1 9 9 GLY C C 13 173.964 0.150 . 1 . . . A 9 GLY C . 17855 1 75 . 1 1 9 9 GLY CA C 13 45.354 0.006 . 1 . . . A 9 GLY CA . 17855 1 76 . 1 1 9 9 GLY N N 15 111.163 0.128 . 1 . . . A 9 GLY N . 17855 1 77 . 1 1 10 10 VAL H H 1 7.883 0.008 . 1 . . . A 10 VAL H . 17855 1 78 . 1 1 10 10 VAL HA H 1 4.002 0.010 . 1 . . . A 10 VAL HA . 17855 1 79 . 1 1 10 10 VAL HB H 1 1.978 0.009 . 1 . . . A 10 VAL HB . 17855 1 80 . 1 1 10 10 VAL HG11 H 1 0.819 0.050 . 2 . . . A 10 VAL HG11 . 17855 1 81 . 1 1 10 10 VAL HG12 H 1 0.819 0.050 . 2 . . . A 10 VAL HG12 . 17855 1 82 . 1 1 10 10 VAL HG13 H 1 0.819 0.050 . 2 . . . A 10 VAL HG13 . 17855 1 83 . 1 1 10 10 VAL HG21 H 1 0.834 0.005 . 2 . . . A 10 VAL HG21 . 17855 1 84 . 1 1 10 10 VAL HG22 H 1 0.834 0.005 . 2 . . . A 10 VAL HG22 . 17855 1 85 . 1 1 10 10 VAL HG23 H 1 0.834 0.005 . 2 . . . A 10 VAL HG23 . 17855 1 86 . 1 1 10 10 VAL C C 13 176.048 0.150 . 1 . . . A 10 VAL C . 17855 1 87 . 1 1 10 10 VAL CA C 13 62.386 0.090 . 1 . . . A 10 VAL CA . 17855 1 88 . 1 1 10 10 VAL CB C 13 32.369 0.027 . 1 . . . A 10 VAL CB . 17855 1 89 . 1 1 10 10 VAL CG1 C 13 20.281 0.045 . 2 . . . A 10 VAL CG1 . 17855 1 90 . 1 1 10 10 VAL CG2 C 13 20.953 0.010 . 2 . . . A 10 VAL CG2 . 17855 1 91 . 1 1 10 10 VAL N N 15 119.790 0.146 . 1 . . . A 10 VAL N . 17855 1 92 . 1 1 11 11 ARG H H 1 8.396 0.007 . 1 . . . A 11 ARG H . 17855 1 93 . 1 1 11 11 ARG HA H 1 4.261 0.005 . 1 . . . A 11 ARG HA . 17855 1 94 . 1 1 11 11 ARG HB3 H 1 1.794 0.050 . 2 . . . A 11 ARG HB3 . 17855 1 95 . 1 1 11 11 ARG HG2 H 1 1.544 0.050 . 2 . . . A 11 ARG HG2 . 17855 1 96 . 1 1 11 11 ARG HG3 H 1 1.272 0.050 . 2 . . . A 11 ARG HG3 . 17855 1 97 . 1 1 11 11 ARG HD2 H 1 2.952 0.050 . 2 . . . A 11 ARG HD2 . 17855 1 98 . 1 1 11 11 ARG HD3 H 1 3.128 0.050 . 2 . . . A 11 ARG HD3 . 17855 1 99 . 1 1 11 11 ARG C C 13 175.025 0.150 . 1 . . . A 11 ARG C . 17855 1 100 . 1 1 11 11 ARG CA C 13 55.896 0.078 . 1 . . . A 11 ARG CA . 17855 1 101 . 1 1 11 11 ARG CB C 13 30.519 0.150 . 1 . . . A 11 ARG CB . 17855 1 102 . 1 1 11 11 ARG CG C 13 26.870 0.150 . 1 . . . A 11 ARG CG . 17855 1 103 . 1 1 11 11 ARG CD C 13 42.321 0.001 . 1 . . . A 11 ARG CD . 17855 1 104 . 1 1 11 11 ARG N N 15 125.407 0.098 . 1 . . . A 11 ARG N . 17855 1 105 . 1 1 12 12 ARG H H 1 7.984 0.002 . 1 . . . A 12 ARG H . 17855 1 106 . 1 1 12 12 ARG HA H 1 4.087 0.013 . 1 . . . A 12 ARG HA . 17855 1 107 . 1 1 12 12 ARG HB2 H 1 1.667 0.019 . 2 . . . A 12 ARG HB2 . 17855 1 108 . 1 1 12 12 ARG HB3 H 1 1.732 0.050 . 2 . . . A 12 ARG HB3 . 17855 1 109 . 1 1 12 12 ARG HG2 H 1 1.288 0.021 . 2 . . . A 12 ARG HG2 . 17855 1 110 . 1 1 12 12 ARG HD2 H 1 2.881 0.016 . 2 . . . A 12 ARG HD2 . 17855 1 111 . 1 1 12 12 ARG HD3 H 1 2.934 0.050 . 2 . . . A 12 ARG HD3 . 17855 1 112 . 1 1 12 12 ARG C C 13 181.199 0.150 . 1 . . . A 12 ARG C . 17855 1 113 . 1 1 12 12 ARG CA C 13 57.761 0.077 . 1 . . . A 12 ARG CA . 17855 1 114 . 1 1 12 12 ARG CB C 13 33.772 0.150 . 1 . . . A 12 ARG CB . 17855 1 115 . 1 1 12 12 ARG CG C 13 24.462 0.035 . 1 . . . A 12 ARG CG . 17855 1 116 . 1 1 12 12 ARG CD C 13 43.420 0.150 . 1 . . . A 12 ARG CD . 17855 1 117 . 1 1 12 12 ARG N N 15 128.793 0.022 . 1 . . . A 12 ARG N . 17855 1 118 . 1 1 14 14 ARG HA H 1 4.473 0.050 . 1 . . . A 14 ARG HA . 17855 1 119 . 1 1 14 14 ARG HB3 H 1 1.627 0.050 . 2 . . . A 14 ARG HB3 . 17855 1 120 . 1 1 14 14 ARG C C 13 175.214 0.150 . 1 . . . A 14 ARG C . 17855 1 121 . 1 1 14 14 ARG CA C 13 57.175 0.150 . 1 . . . A 14 ARG CA . 17855 1 122 . 1 1 14 14 ARG CB C 13 31.120 0.150 . 1 . . . A 14 ARG CB . 17855 1 123 . 1 1 15 15 LYS H H 1 8.179 0.013 . 1 . . . A 15 LYS H . 17855 1 124 . 1 1 15 15 LYS HA H 1 4.185 0.004 . 1 . . . A 15 LYS HA . 17855 1 125 . 1 1 15 15 LYS HB3 H 1 2.013 0.050 . 2 . . . A 15 LYS HB3 . 17855 1 126 . 1 1 15 15 LYS HG2 H 1 1.323 0.050 . 2 . . . A 15 LYS HG2 . 17855 1 127 . 1 1 15 15 LYS HG3 H 1 1.373 0.050 . 2 . . . A 15 LYS HG3 . 17855 1 128 . 1 1 15 15 LYS HD2 H 1 1.635 0.050 . 2 . . . A 15 LYS HD2 . 17855 1 129 . 1 1 15 15 LYS HD3 H 1 1.576 0.050 . 2 . . . A 15 LYS HD3 . 17855 1 130 . 1 1 15 15 LYS HE2 H 1 2.960 0.050 . 2 . . . A 15 LYS HE2 . 17855 1 131 . 1 1 15 15 LYS HE3 H 1 3.006 0.050 . 2 . . . A 15 LYS HE3 . 17855 1 132 . 1 1 15 15 LYS C C 13 176.129 0.150 . 1 . . . A 15 LYS C . 17855 1 133 . 1 1 15 15 LYS CA C 13 56.783 0.037 . 1 . . . A 15 LYS CA . 17855 1 134 . 1 1 15 15 LYS CB C 13 30.422 0.150 . 1 . . . A 15 LYS CB . 17855 1 135 . 1 1 15 15 LYS CG C 13 24.522 0.002 . 1 . . . A 15 LYS CG . 17855 1 136 . 1 1 15 15 LYS CD C 13 29.010 0.013 . 1 . . . A 15 LYS CD . 17855 1 137 . 1 1 15 15 LYS CE C 13 42.260 0.025 . 1 . . . A 15 LYS CE . 17855 1 138 . 1 1 15 15 LYS N N 15 121.693 0.045 . 1 . . . A 15 LYS N . 17855 1 139 . 1 1 16 16 ALA H H 1 7.983 0.006 . 1 . . . A 16 ALA H . 17855 1 140 . 1 1 16 16 ALA HA H 1 4.017 0.050 . 1 . . . A 16 ALA HA . 17855 1 141 . 1 1 16 16 ALA HB1 H 1 1.272 0.050 . 1 . . . A 16 ALA HB1 . 17855 1 142 . 1 1 16 16 ALA HB2 H 1 1.272 0.050 . 1 . . . A 16 ALA HB2 . 17855 1 143 . 1 1 16 16 ALA HB3 H 1 1.272 0.050 . 1 . . . A 16 ALA HB3 . 17855 1 144 . 1 1 16 16 ALA CA C 13 53.744 0.150 . 1 . . . A 16 ALA CA . 17855 1 145 . 1 1 16 16 ALA CB C 13 19.891 0.150 . 1 . . . A 16 ALA CB . 17855 1 146 . 1 1 16 16 ALA N N 15 131.808 0.086 . 1 . . . A 16 ALA N . 17855 1 147 . 1 1 17 17 LYS HA H 1 4.145 0.050 . 1 . . . A 17 LYS HA . 17855 1 148 . 1 1 17 17 LYS HB3 H 1 1.899 0.001 . 2 . . . A 17 LYS HB3 . 17855 1 149 . 1 1 17 17 LYS HG2 H 1 1.657 0.050 . 2 . . . A 17 LYS HG2 . 17855 1 150 . 1 1 17 17 LYS HD3 H 1 1.488 0.050 . 2 . . . A 17 LYS HD3 . 17855 1 151 . 1 1 17 17 LYS HE3 H 1 3.001 0.050 . 2 . . . A 17 LYS HE3 . 17855 1 152 . 1 1 17 17 LYS C C 13 176.232 0.150 . 1 . . . A 17 LYS C . 17855 1 153 . 1 1 17 17 LYS CA C 13 57.035 0.014 . 1 . . . A 17 LYS CA . 17855 1 154 . 1 1 17 17 LYS CB C 13 30.230 0.031 . 1 . . . A 17 LYS CB . 17855 1 155 . 1 1 17 17 LYS CG C 13 24.751 0.002 . 1 . . . A 17 LYS CG . 17855 1 156 . 1 1 17 17 LYS CD C 13 26.608 0.002 . 1 . . . A 17 LYS CD . 17855 1 157 . 1 1 17 17 LYS CE C 13 43.372 0.022 . 1 . . . A 17 LYS CE . 17855 1 158 . 1 1 18 18 LYS H H 1 8.367 0.018 . 1 . . . A 18 LYS H . 17855 1 159 . 1 1 18 18 LYS HA H 1 4.205 0.050 . 1 . . . A 18 LYS HA . 17855 1 160 . 1 1 18 18 LYS HB3 H 1 1.620 0.002 . 2 . . . A 18 LYS HB3 . 17855 1 161 . 1 1 18 18 LYS HG2 H 1 1.360 0.018 . 2 . . . A 18 LYS HG2 . 17855 1 162 . 1 1 18 18 LYS HD3 H 1 1.930 0.050 . 2 . . . A 18 LYS HD3 . 17855 1 163 . 1 1 18 18 LYS HE3 H 1 3.457 0.050 . 2 . . . A 18 LYS HE3 . 17855 1 164 . 1 1 18 18 LYS C C 13 175.673 0.150 . 1 . . . A 18 LYS C . 17855 1 165 . 1 1 18 18 LYS CA C 13 56.050 0.150 . 1 . . . A 18 LYS CA . 17855 1 166 . 1 1 18 18 LYS CB C 13 29.390 0.150 . 1 . . . A 18 LYS CB . 17855 1 167 . 1 1 18 18 LYS CG C 13 23.737 0.006 . 1 . . . A 18 LYS CG . 17855 1 168 . 1 1 18 18 LYS CD C 13 28.402 0.002 . 1 . . . A 18 LYS CD . 17855 1 169 . 1 1 18 18 LYS CE C 13 42.161 0.150 . 1 . . . A 18 LYS CE . 17855 1 170 . 1 1 18 18 LYS N N 15 121.461 0.164 . 1 . . . A 18 LYS N . 17855 1 171 . 1 1 19 19 ASP H H 1 8.489 0.010 . 1 . . . A 19 ASP H . 17855 1 172 . 1 1 19 19 ASP HA H 1 4.579 0.050 . 1 . . . A 19 ASP HA . 17855 1 173 . 1 1 19 19 ASP HB2 H 1 2.334 0.050 . 2 . . . A 19 ASP HB2 . 17855 1 174 . 1 1 19 19 ASP HB3 H 1 1.905 0.050 . 2 . . . A 19 ASP HB3 . 17855 1 175 . 1 1 19 19 ASP C C 13 173.684 0.150 . 1 . . . A 19 ASP C . 17855 1 176 . 1 1 19 19 ASP CA C 13 51.385 0.150 . 1 . . . A 19 ASP CA . 17855 1 177 . 1 1 19 19 ASP CB C 13 41.398 0.150 . 1 . . . A 19 ASP CB . 17855 1 178 . 1 1 19 19 ASP N N 15 123.925 0.066 . 1 . . . A 19 ASP N . 17855 1 179 . 1 1 20 20 PRO HA H 1 4.348 0.002 . 1 . . . A 20 PRO HA . 17855 1 180 . 1 1 20 20 PRO HB2 H 1 2.224 0.005 . 2 . . . A 20 PRO HB2 . 17855 1 181 . 1 1 20 20 PRO HB3 H 1 1.904 0.003 . 2 . . . A 20 PRO HB3 . 17855 1 182 . 1 1 20 20 PRO HG2 H 1 1.911 0.050 . 2 . . . A 20 PRO HG2 . 17855 1 183 . 1 1 20 20 PRO HG3 H 1 1.949 0.050 . 2 . . . A 20 PRO HG3 . 17855 1 184 . 1 1 20 20 PRO HD2 H 1 3.589 0.050 . 2 . . . A 20 PRO HD2 . 17855 1 185 . 1 1 20 20 PRO HD3 H 1 3.694 0.002 . 2 . . . A 20 PRO HD3 . 17855 1 186 . 1 1 20 20 PRO C C 13 176.691 0.150 . 1 . . . A 20 PRO C . 17855 1 187 . 1 1 20 20 PRO CA C 13 63.830 0.150 . 1 . . . A 20 PRO CA . 17855 1 188 . 1 1 20 20 PRO CB C 13 31.821 0.055 . 1 . . . A 20 PRO CB . 17855 1 189 . 1 1 20 20 PRO CG C 13 27.129 0.032 . 1 . . . A 20 PRO CG . 17855 1 190 . 1 1 20 20 PRO CD C 13 50.676 0.043 . 1 . . . A 20 PRO CD . 17855 1 191 . 1 1 21 21 ASN H H 1 8.336 0.010 . 1 . . . A 21 ASN H . 17855 1 192 . 1 1 21 21 ASN HA H 1 4.636 0.013 . 1 . . . A 21 ASN HA . 17855 1 193 . 1 1 21 21 ASN HB3 H 1 2.721 0.050 . 2 . . . A 21 ASN HB3 . 17855 1 194 . 1 1 21 21 ASN HD21 H 1 6.960 0.002 . 2 . . . A 21 ASN HD21 . 17855 1 195 . 1 1 21 21 ASN HD22 H 1 7.754 0.004 . 2 . . . A 21 ASN HD22 . 17855 1 196 . 1 1 21 21 ASN C C 13 173.911 0.150 . 1 . . . A 21 ASN C . 17855 1 197 . 1 1 21 21 ASN CA C 13 52.835 0.055 . 1 . . . A 21 ASN CA . 17855 1 198 . 1 1 21 21 ASN CB C 13 38.651 0.150 . 1 . . . A 21 ASN CB . 17855 1 199 . 1 1 21 21 ASN CG C 13 177.287 0.150 . 1 . . . A 21 ASN CG . 17855 1 200 . 1 1 21 21 ASN N N 15 116.715 0.164 . 1 . . . A 21 ASN N . 17855 1 201 . 1 1 21 21 ASN ND2 N 15 114.304 0.073 . 1 . . . A 21 ASN ND2 . 17855 1 202 . 1 1 22 22 ALA H H 1 7.367 0.005 . 1 . . . A 22 ALA H . 17855 1 203 . 1 1 22 22 ALA HA H 1 3.608 0.018 . 1 . . . A 22 ALA HA . 17855 1 204 . 1 1 22 22 ALA HB1 H 1 1.148 0.007 . 1 . . . A 22 ALA HB1 . 17855 1 205 . 1 1 22 22 ALA HB2 H 1 1.148 0.007 . 1 . . . A 22 ALA HB2 . 17855 1 206 . 1 1 22 22 ALA HB3 H 1 1.148 0.007 . 1 . . . A 22 ALA HB3 . 17855 1 207 . 1 1 22 22 ALA C C 13 174.881 0.150 . 1 . . . A 22 ALA C . 17855 1 208 . 1 1 22 22 ALA CA C 13 50.640 0.150 . 1 . . . A 22 ALA CA . 17855 1 209 . 1 1 22 22 ALA CB C 13 17.450 0.150 . 1 . . . A 22 ALA CB . 17855 1 210 . 1 1 22 22 ALA N N 15 123.293 0.105 . 1 . . . A 22 ALA N . 17855 1 211 . 1 1 23 23 PRO HA H 1 4.237 0.001 . 1 . . . A 23 PRO HA . 17855 1 212 . 1 1 23 23 PRO HB3 H 1 2.227 0.050 . 2 . . . A 23 PRO HB3 . 17855 1 213 . 1 1 23 23 PRO HG3 H 1 1.532 0.020 . 2 . . . A 23 PRO HG3 . 17855 1 214 . 1 1 23 23 PRO HD2 H 1 3.505 0.050 . 2 . . . A 23 PRO HD2 . 17855 1 215 . 1 1 23 23 PRO HD3 H 1 3.560 0.016 . 2 . . . A 23 PRO HD3 . 17855 1 216 . 1 1 23 23 PRO C C 13 176.448 0.150 . 1 . . . A 23 PRO C . 17855 1 217 . 1 1 23 23 PRO CA C 13 62.503 0.015 . 1 . . . A 23 PRO CA . 17855 1 218 . 1 1 23 23 PRO CB C 13 31.957 0.150 . 1 . . . A 23 PRO CB . 17855 1 219 . 1 1 23 23 PRO CG C 13 27.678 0.072 . 1 . . . A 23 PRO CG . 17855 1 220 . 1 1 23 23 PRO CD C 13 49.540 0.034 . 1 . . . A 23 PRO CD . 17855 1 221 . 1 1 24 24 LYS H H 1 8.919 0.008 . 1 . . . A 24 LYS H . 17855 1 222 . 1 1 24 24 LYS HA H 1 4.150 0.050 . 1 . . . A 24 LYS HA . 17855 1 223 . 1 1 24 24 LYS HB2 H 1 1.838 0.050 . 2 . . . A 24 LYS HB2 . 17855 1 224 . 1 1 24 24 LYS HB3 H 1 1.774 0.006 . 2 . . . A 24 LYS HB3 . 17855 1 225 . 1 1 24 24 LYS HG2 H 1 1.464 0.001 . 2 . . . A 24 LYS HG2 . 17855 1 226 . 1 1 24 24 LYS HG3 H 1 1.337 0.050 . 2 . . . A 24 LYS HG3 . 17855 1 227 . 1 1 24 24 LYS HD3 H 1 1.622 0.003 . 2 . . . A 24 LYS HD3 . 17855 1 228 . 1 1 24 24 LYS HE3 H 1 2.897 0.009 . 2 . . . A 24 LYS HE3 . 17855 1 229 . 1 1 24 24 LYS C C 13 177.303 0.150 . 1 . . . A 24 LYS C . 17855 1 230 . 1 1 24 24 LYS CA C 13 56.453 0.043 . 1 . . . A 24 LYS CA . 17855 1 231 . 1 1 24 24 LYS CB C 13 32.500 0.150 . 1 . . . A 24 LYS CB . 17855 1 232 . 1 1 24 24 LYS CG C 13 24.110 0.001 . 1 . . . A 24 LYS CG . 17855 1 233 . 1 1 24 24 LYS CD C 13 29.149 0.001 . 1 . . . A 24 LYS CD . 17855 1 234 . 1 1 24 24 LYS CE C 13 42.039 0.018 . 1 . . . A 24 LYS CE . 17855 1 235 . 1 1 24 24 LYS N N 15 124.044 0.122 . 1 . . . A 24 LYS N . 17855 1 236 . 1 1 25 25 ARG H H 1 8.291 0.017 . 1 . . . A 25 ARG H . 17855 1 237 . 1 1 25 25 ARG HA H 1 3.276 0.017 . 1 . . . A 25 ARG HA . 17855 1 238 . 1 1 25 25 ARG HB3 H 1 1.540 0.007 . 2 . . . A 25 ARG HB3 . 17855 1 239 . 1 1 25 25 ARG HG2 H 1 1.608 0.009 . 2 . . . A 25 ARG HG2 . 17855 1 240 . 1 1 25 25 ARG HD2 H 1 3.124 0.006 . 2 . . . A 25 ARG HD2 . 17855 1 241 . 1 1 25 25 ARG HD3 H 1 3.026 0.020 . 2 . . . A 25 ARG HD3 . 17855 1 242 . 1 1 25 25 ARG C C 13 175.405 0.150 . 1 . . . A 25 ARG C . 17855 1 243 . 1 1 25 25 ARG CA C 13 56.575 0.068 . 1 . . . A 25 ARG CA . 17855 1 244 . 1 1 25 25 ARG CB C 13 30.420 0.150 . 1 . . . A 25 ARG CB . 17855 1 245 . 1 1 25 25 ARG CG C 13 26.761 0.004 . 1 . . . A 25 ARG CG . 17855 1 246 . 1 1 25 25 ARG CD C 13 43.350 0.150 . 1 . . . A 25 ARG CD . 17855 1 247 . 1 1 25 25 ARG N N 15 122.470 0.082 . 1 . . . A 25 ARG N . 17855 1 248 . 1 1 26 26 ALA H H 1 7.288 0.004 . 1 . . . A 26 ALA H . 17855 1 249 . 1 1 26 26 ALA HA H 1 4.225 0.013 . 1 . . . A 26 ALA HA . 17855 1 250 . 1 1 26 26 ALA HB1 H 1 1.181 0.005 . 1 . . . A 26 ALA HB1 . 17855 1 251 . 1 1 26 26 ALA HB2 H 1 1.181 0.005 . 1 . . . A 26 ALA HB2 . 17855 1 252 . 1 1 26 26 ALA HB3 H 1 1.181 0.005 . 1 . . . A 26 ALA HB3 . 17855 1 253 . 1 1 26 26 ALA C C 13 177.979 0.150 . 1 . . . A 26 ALA C . 17855 1 254 . 1 1 26 26 ALA CA C 13 51.176 0.081 . 1 . . . A 26 ALA CA . 17855 1 255 . 1 1 26 26 ALA CB C 13 18.815 0.030 . 1 . . . A 26 ALA CB . 17855 1 256 . 1 1 26 26 ALA N N 15 123.120 0.197 . 1 . . . A 26 ALA N . 17855 1 257 . 1 1 27 27 LEU H H 1 9.112 0.016 . 1 . . . A 27 LEU H . 17855 1 258 . 1 1 27 27 LEU HA H 1 4.237 0.010 . 1 . . . A 27 LEU HA . 17855 1 259 . 1 1 27 27 LEU HB2 H 1 1.613 0.031 . 2 . . . A 27 LEU HB2 . 17855 1 260 . 1 1 27 27 LEU HB3 H 1 1.618 0.017 . 2 . . . A 27 LEU HB3 . 17855 1 261 . 1 1 27 27 LEU HG H 1 1.403 0.010 . 1 . . . A 27 LEU HG . 17855 1 262 . 1 1 27 27 LEU HD11 H 1 0.771 0.008 . 2 . . . A 27 LEU HD11 . 17855 1 263 . 1 1 27 27 LEU HD12 H 1 0.771 0.008 . 2 . . . A 27 LEU HD12 . 17855 1 264 . 1 1 27 27 LEU HD13 H 1 0.771 0.008 . 2 . . . A 27 LEU HD13 . 17855 1 265 . 1 1 27 27 LEU HD21 H 1 0.850 0.012 . 2 . . . A 27 LEU HD21 . 17855 1 266 . 1 1 27 27 LEU HD22 H 1 0.850 0.012 . 2 . . . A 27 LEU HD22 . 17855 1 267 . 1 1 27 27 LEU HD23 H 1 0.850 0.012 . 2 . . . A 27 LEU HD23 . 17855 1 268 . 1 1 27 27 LEU C C 13 177.852 0.150 . 1 . . . A 27 LEU C . 17855 1 269 . 1 1 27 27 LEU CA C 13 54.650 0.150 . 1 . . . A 27 LEU CA . 17855 1 270 . 1 1 27 27 LEU CB C 13 43.055 0.057 . 1 . . . A 27 LEU CB . 17855 1 271 . 1 1 27 27 LEU CG C 13 26.881 0.040 . 1 . . . A 27 LEU CG . 17855 1 272 . 1 1 27 27 LEU CD1 C 13 23.524 0.055 . 2 . . . A 27 LEU CD1 . 17855 1 273 . 1 1 27 27 LEU CD2 C 13 24.361 0.090 . 2 . . . A 27 LEU CD2 . 17855 1 274 . 1 1 27 27 LEU N N 15 125.095 0.177 . 1 . . . A 27 LEU N . 17855 1 275 . 1 1 28 28 SER H H 1 7.729 0.011 . 1 . . . A 28 SER H . 17855 1 276 . 1 1 28 28 SER HA H 1 4.574 0.021 . 1 . . . A 28 SER HA . 17855 1 277 . 1 1 28 28 SER HB2 H 1 4.078 0.050 . 2 . . . A 28 SER HB2 . 17855 1 278 . 1 1 28 28 SER C C 13 174.751 0.150 . 1 . . . A 28 SER C . 17855 1 279 . 1 1 28 28 SER CA C 13 56.790 0.150 . 1 . . . A 28 SER CA . 17855 1 280 . 1 1 28 28 SER CB C 13 65.610 0.150 . 1 . . . A 28 SER CB . 17855 1 281 . 1 1 28 28 SER N N 15 117.672 0.124 . 1 . . . A 28 SER N . 17855 1 282 . 1 1 29 29 SER H H 1 9.278 0.007 . 1 . . . A 29 SER H . 17855 1 283 . 1 1 29 29 SER HB2 H 1 3.996 0.050 . 2 . . . A 29 SER HB2 . 17855 1 284 . 1 1 29 29 SER CA C 13 62.082 0.150 . 1 . . . A 29 SER CA . 17855 1 285 . 1 1 29 29 SER CB C 13 66.000 0.150 . 1 . . . A 29 SER CB . 17855 1 286 . 1 1 29 29 SER N N 15 117.082 0.038 . 1 . . . A 29 SER N . 17855 1 287 . 1 1 30 30 TYR HB2 H 1 2.169 0.050 . 2 . . . A 30 TYR HB2 . 17855 1 288 . 1 1 30 30 TYR HB3 H 1 2.412 0.050 . 2 . . . A 30 TYR HB3 . 17855 1 289 . 1 1 30 30 TYR HD1 H 1 7.157 0.050 . 3 . . . A 30 TYR HD1 . 17855 1 290 . 1 1 30 30 TYR HD2 H 1 7.157 0.050 . 3 . . . A 30 TYR HD2 . 17855 1 291 . 1 1 30 30 TYR HE1 H 1 6.863 0.050 . 3 . . . A 30 TYR HE1 . 17855 1 292 . 1 1 30 30 TYR HE2 H 1 6.863 0.050 . 3 . . . A 30 TYR HE2 . 17855 1 293 . 1 1 30 30 TYR C C 13 176.242 0.150 . 1 . . . A 30 TYR C . 17855 1 294 . 1 1 30 30 TYR CA C 13 60.351 0.150 . 1 . . . A 30 TYR CA . 17855 1 295 . 1 1 30 30 TYR CB C 13 38.014 0.007 . 1 . . . A 30 TYR CB . 17855 1 296 . 1 1 31 31 MET H H 1 7.521 0.010 . 1 . . . A 31 MET H . 17855 1 297 . 1 1 31 31 MET HA H 1 3.723 0.003 . 1 . . . A 31 MET HA . 17855 1 298 . 1 1 31 31 MET HB2 H 1 1.642 0.050 . 2 . . . A 31 MET HB2 . 17855 1 299 . 1 1 31 31 MET HB3 H 1 1.729 0.050 . 2 . . . A 31 MET HB3 . 17855 1 300 . 1 1 31 31 MET HG2 H 1 1.613 0.050 . 2 . . . A 31 MET HG2 . 17855 1 301 . 1 1 31 31 MET HE1 H 1 1.406 0.021 . 1 . . . A 31 MET HE1 . 17855 1 302 . 1 1 31 31 MET HE2 H 1 1.406 0.021 . 1 . . . A 31 MET HE2 . 17855 1 303 . 1 1 31 31 MET HE3 H 1 1.406 0.021 . 1 . . . A 31 MET HE3 . 17855 1 304 . 1 1 31 31 MET C C 13 180.030 0.150 . 1 . . . A 31 MET C . 17855 1 305 . 1 1 31 31 MET CA C 13 58.301 0.017 . 1 . . . A 31 MET CA . 17855 1 306 . 1 1 31 31 MET CB C 13 32.319 0.001 . 1 . . . A 31 MET CB . 17855 1 307 . 1 1 31 31 MET CG C 13 29.302 0.002 . 1 . . . A 31 MET CG . 17855 1 308 . 1 1 31 31 MET CE C 13 24.141 0.022 . 1 . . . A 31 MET CE . 17855 1 309 . 1 1 31 31 MET N N 15 117.154 0.116 . 1 . . . A 31 MET N . 17855 1 310 . 1 1 32 32 PHE H H 1 7.941 0.005 . 1 . . . A 32 PHE H . 17855 1 311 . 1 1 32 32 PHE HA H 1 4.152 0.050 . 1 . . . A 32 PHE HA . 17855 1 312 . 1 1 32 32 PHE HB2 H 1 3.229 0.018 . 2 . . . A 32 PHE HB2 . 17855 1 313 . 1 1 32 32 PHE HB3 H 1 3.558 0.009 . 2 . . . A 32 PHE HB3 . 17855 1 314 . 1 1 32 32 PHE HD1 H 1 7.342 0.050 . 3 . . . A 32 PHE HD1 . 17855 1 315 . 1 1 32 32 PHE HD2 H 1 7.342 0.050 . 3 . . . A 32 PHE HD2 . 17855 1 316 . 1 1 32 32 PHE HE1 H 1 7.236 0.021 . 3 . . . A 32 PHE HE1 . 17855 1 317 . 1 1 32 32 PHE HE2 H 1 7.236 0.021 . 3 . . . A 32 PHE HE2 . 17855 1 318 . 1 1 32 32 PHE C C 13 178.376 0.150 . 1 . . . A 32 PHE C . 17855 1 319 . 1 1 32 32 PHE CA C 13 64.323 0.150 . 1 . . . A 32 PHE CA . 17855 1 320 . 1 1 32 32 PHE CB C 13 39.891 0.054 . 1 . . . A 32 PHE CB . 17855 1 321 . 1 1 32 32 PHE N N 15 119.460 0.010 . 1 . . . A 32 PHE N . 17855 1 322 . 1 1 33 33 PHE H H 1 7.720 0.009 . 1 . . . A 33 PHE H . 17855 1 323 . 1 1 33 33 PHE HA H 1 4.831 0.050 . 1 . . . A 33 PHE HA . 17855 1 324 . 1 1 33 33 PHE HB2 H 1 3.667 0.050 . 2 . . . A 33 PHE HB2 . 17855 1 325 . 1 1 33 33 PHE HB3 H 1 3.140 0.050 . 2 . . . A 33 PHE HB3 . 17855 1 326 . 1 1 33 33 PHE HD1 H 1 7.392 0.050 . 3 . . . A 33 PHE HD1 . 17855 1 327 . 1 1 33 33 PHE HD2 H 1 7.392 0.050 . 3 . . . A 33 PHE HD2 . 17855 1 328 . 1 1 33 33 PHE HE1 H 1 7.284 0.011 . 3 . . . A 33 PHE HE1 . 17855 1 329 . 1 1 33 33 PHE HE2 H 1 7.284 0.011 . 3 . . . A 33 PHE HE2 . 17855 1 330 . 1 1 33 33 PHE C C 13 176.287 0.150 . 1 . . . A 33 PHE C . 17855 1 331 . 1 1 33 33 PHE CA C 13 61.411 0.150 . 1 . . . A 33 PHE CA . 17855 1 332 . 1 1 33 33 PHE CB C 13 39.500 0.150 . 1 . . . A 33 PHE CB . 17855 1 333 . 1 1 33 33 PHE N N 15 121.930 0.139 . 1 . . . A 33 PHE N . 17855 1 334 . 1 1 34 34 ALA H H 1 8.878 0.010 . 1 . . . A 34 ALA H . 17855 1 335 . 1 1 34 34 ALA HA H 1 3.350 0.002 . 1 . . . A 34 ALA HA . 17855 1 336 . 1 1 34 34 ALA HB1 H 1 0.868 0.003 . 1 . . . A 34 ALA HB1 . 17855 1 337 . 1 1 34 34 ALA HB2 H 1 0.868 0.003 . 1 . . . A 34 ALA HB2 . 17855 1 338 . 1 1 34 34 ALA HB3 H 1 0.868 0.003 . 1 . . . A 34 ALA HB3 . 17855 1 339 . 1 1 34 34 ALA C C 13 179.211 0.150 . 1 . . . A 34 ALA C . 17855 1 340 . 1 1 34 34 ALA CA C 13 54.866 0.009 . 1 . . . A 34 ALA CA . 17855 1 341 . 1 1 34 34 ALA CB C 13 18.030 0.150 . 1 . . . A 34 ALA CB . 17855 1 342 . 1 1 34 34 ALA N N 15 121.204 0.105 . 1 . . . A 34 ALA N . 17855 1 343 . 1 1 35 35 LYS H H 1 7.435 0.005 . 1 . . . A 35 LYS H . 17855 1 344 . 1 1 35 35 LYS HA H 1 3.768 0.007 . 1 . . . A 35 LYS HA . 17855 1 345 . 1 1 35 35 LYS HB3 H 1 1.800 0.003 . 2 . . . A 35 LYS HB3 . 17855 1 346 . 1 1 35 35 LYS HG2 H 1 1.382 0.050 . 2 . . . A 35 LYS HG2 . 17855 1 347 . 1 1 35 35 LYS HG3 H 1 1.406 0.050 . 2 . . . A 35 LYS HG3 . 17855 1 348 . 1 1 35 35 LYS HD3 H 1 1.500 0.050 . 2 . . . A 35 LYS HD3 . 17855 1 349 . 1 1 35 35 LYS HE3 H 1 2.969 0.050 . 2 . . . A 35 LYS HE3 . 17855 1 350 . 1 1 35 35 LYS C C 13 178.414 0.150 . 1 . . . A 35 LYS C . 17855 1 351 . 1 1 35 35 LYS CA C 13 59.329 0.004 . 1 . . . A 35 LYS CA . 17855 1 352 . 1 1 35 35 LYS CB C 13 32.354 0.076 . 1 . . . A 35 LYS CB . 17855 1 353 . 1 1 35 35 LYS CG C 13 24.242 0.022 . 1 . . . A 35 LYS CG . 17855 1 354 . 1 1 35 35 LYS CD C 13 29.928 0.002 . 1 . . . A 35 LYS CD . 17855 1 355 . 1 1 35 35 LYS CE C 13 41.728 0.002 . 1 . . . A 35 LYS CE . 17855 1 356 . 1 1 35 35 LYS N N 15 116.328 0.103 . 1 . . . A 35 LYS N . 17855 1 357 . 1 1 36 36 GLU H H 1 6.968 0.007 . 1 . . . A 36 GLU H . 17855 1 358 . 1 1 36 36 GLU HA H 1 4.018 0.014 . 1 . . . A 36 GLU HA . 17855 1 359 . 1 1 36 36 GLU HB3 H 1 2.084 0.006 . 2 . . . A 36 GLU HB3 . 17855 1 360 . 1 1 36 36 GLU HG3 H 1 2.250 0.050 . 2 . . . A 36 GLU HG3 . 17855 1 361 . 1 1 36 36 GLU C C 13 178.809 0.150 . 1 . . . A 36 GLU C . 17855 1 362 . 1 1 36 36 GLU CA C 13 58.501 0.002 . 1 . . . A 36 GLU CA . 17855 1 363 . 1 1 36 36 GLU CB C 13 30.671 0.002 . 1 . . . A 36 GLU CB . 17855 1 364 . 1 1 36 36 GLU CG C 13 36.463 0.150 . 1 . . . A 36 GLU CG . 17855 1 365 . 1 1 36 36 GLU N N 15 118.139 0.163 . 1 . . . A 36 GLU N . 17855 1 366 . 1 1 37 37 LYS H H 1 8.609 0.008 . 1 . . . A 37 LYS H . 17855 1 367 . 1 1 37 37 LYS HA H 1 3.849 0.012 . 1 . . . A 37 LYS HA . 17855 1 368 . 1 1 37 37 LYS HB3 H 1 1.717 0.050 . 2 . . . A 37 LYS HB3 . 17855 1 369 . 1 1 37 37 LYS HG2 H 1 1.383 0.050 . 2 . . . A 37 LYS HG2 . 17855 1 370 . 1 1 37 37 LYS HD3 H 1 1.576 0.050 . 2 . . . A 37 LYS HD3 . 17855 1 371 . 1 1 37 37 LYS HE3 H 1 2.918 0.050 . 2 . . . A 37 LYS HE3 . 17855 1 372 . 1 1 37 37 LYS C C 13 178.116 0.150 . 1 . . . A 37 LYS C . 17855 1 373 . 1 1 37 37 LYS CA C 13 56.310 0.017 . 1 . . . A 37 LYS CA . 17855 1 374 . 1 1 37 37 LYS CB C 13 31.059 0.058 . 1 . . . A 37 LYS CB . 17855 1 375 . 1 1 37 37 LYS CG C 13 23.695 0.005 . 1 . . . A 37 LYS CG . 17855 1 376 . 1 1 37 37 LYS CE C 13 42.269 0.001 . 1 . . . A 37 LYS CE . 17855 1 377 . 1 1 37 37 LYS N N 15 119.760 0.108 . 1 . . . A 37 LYS N . 17855 1 378 . 1 1 38 38 ARG H H 1 8.139 0.009 . 1 . . . A 38 ARG H . 17855 1 379 . 1 1 38 38 ARG HA H 1 3.534 0.012 . 1 . . . A 38 ARG HA . 17855 1 380 . 1 1 38 38 ARG HB2 H 1 1.975 0.050 . 2 . . . A 38 ARG HB2 . 17855 1 381 . 1 1 38 38 ARG HB3 H 1 1.687 0.050 . 2 . . . A 38 ARG HB3 . 17855 1 382 . 1 1 38 38 ARG HG2 H 1 1.596 0.050 . 2 . . . A 38 ARG HG2 . 17855 1 383 . 1 1 38 38 ARG HG3 H 1 1.576 0.050 . 2 . . . A 38 ARG HG3 . 17855 1 384 . 1 1 38 38 ARG HD3 H 1 3.100 0.050 . 2 . . . A 38 ARG HD3 . 17855 1 385 . 1 1 38 38 ARG C C 13 176.419 0.150 . 1 . . . A 38 ARG C . 17855 1 386 . 1 1 38 38 ARG CA C 13 60.423 0.081 . 1 . . . A 38 ARG CA . 17855 1 387 . 1 1 38 38 ARG CB C 13 29.711 0.150 . 1 . . . A 38 ARG CB . 17855 1 388 . 1 1 38 38 ARG CG C 13 27.631 0.002 . 1 . . . A 38 ARG CG . 17855 1 389 . 1 1 38 38 ARG CD C 13 43.052 0.038 . 1 . . . A 38 ARG CD . 17855 1 390 . 1 1 38 38 ARG N N 15 117.637 0.102 . 1 . . . A 38 ARG N . 17855 1 391 . 1 1 39 39 VAL H H 1 6.630 0.011 . 1 . . . A 39 VAL H . 17855 1 392 . 1 1 39 39 VAL HA H 1 3.452 0.010 . 1 . . . A 39 VAL HA . 17855 1 393 . 1 1 39 39 VAL HB H 1 2.065 0.025 . 1 . . . A 39 VAL HB . 17855 1 394 . 1 1 39 39 VAL HG11 H 1 0.904 0.007 . 2 . . . A 39 VAL HG11 . 17855 1 395 . 1 1 39 39 VAL HG12 H 1 0.904 0.007 . 2 . . . A 39 VAL HG12 . 17855 1 396 . 1 1 39 39 VAL HG13 H 1 0.904 0.007 . 2 . . . A 39 VAL HG13 . 17855 1 397 . 1 1 39 39 VAL HG21 H 1 0.947 0.050 . 2 . . . A 39 VAL HG21 . 17855 1 398 . 1 1 39 39 VAL HG22 H 1 0.947 0.050 . 2 . . . A 39 VAL HG22 . 17855 1 399 . 1 1 39 39 VAL HG23 H 1 0.947 0.050 . 2 . . . A 39 VAL HG23 . 17855 1 400 . 1 1 39 39 VAL C C 13 178.274 0.150 . 1 . . . A 39 VAL C . 17855 1 401 . 1 1 39 39 VAL CA C 13 65.864 0.073 . 1 . . . A 39 VAL CA . 17855 1 402 . 1 1 39 39 VAL CB C 13 31.403 0.052 . 1 . . . A 39 VAL CB . 17855 1 403 . 1 1 39 39 VAL CG1 C 13 21.580 0.018 . 2 . . . A 39 VAL CG1 . 17855 1 404 . 1 1 39 39 VAL CG2 C 13 20.727 0.013 . 2 . . . A 39 VAL CG2 . 17855 1 405 . 1 1 39 39 VAL N N 15 114.602 0.095 . 1 . . . A 39 VAL N . 17855 1 406 . 1 1 40 40 GLU H H 1 6.968 0.007 . 1 . . . A 40 GLU H . 17855 1 407 . 1 1 40 40 GLU HA H 1 4.098 0.050 . 1 . . . A 40 GLU HA . 17855 1 408 . 1 1 40 40 GLU HB2 H 1 2.150 0.050 . 2 . . . A 40 GLU HB2 . 17855 1 409 . 1 1 40 40 GLU HB3 H 1 1.944 0.003 . 2 . . . A 40 GLU HB3 . 17855 1 410 . 1 1 40 40 GLU HG2 H 1 2.173 0.050 . 2 . . . A 40 GLU HG2 . 17855 1 411 . 1 1 40 40 GLU HG3 H 1 2.123 0.050 . 2 . . . A 40 GLU HG3 . 17855 1 412 . 1 1 40 40 GLU C C 13 178.557 0.150 . 1 . . . A 40 GLU C . 17855 1 413 . 1 1 40 40 GLU CA C 13 58.782 0.150 . 1 . . . A 40 GLU CA . 17855 1 414 . 1 1 40 40 GLU CB C 13 30.347 0.013 . 1 . . . A 40 GLU CB . 17855 1 415 . 1 1 40 40 GLU CG C 13 36.403 0.014 . 1 . . . A 40 GLU CG . 17855 1 416 . 1 1 40 40 GLU N N 15 119.954 0.172 . 1 . . . A 40 GLU N . 17855 1 417 . 1 1 41 41 ILE H H 1 8.161 0.009 . 1 . . . A 41 ILE H . 17855 1 418 . 1 1 41 41 ILE HA H 1 3.608 0.007 . 1 . . . A 41 ILE HA . 17855 1 419 . 1 1 41 41 ILE HB H 1 1.744 0.002 . 1 . . . A 41 ILE HB . 17855 1 420 . 1 1 41 41 ILE HG13 H 1 1.116 0.002 . 2 . . . A 41 ILE HG13 . 17855 1 421 . 1 1 41 41 ILE HG21 H 1 0.844 0.001 . 1 . . . A 41 ILE HG21 . 17855 1 422 . 1 1 41 41 ILE HG22 H 1 0.844 0.001 . 1 . . . A 41 ILE HG22 . 17855 1 423 . 1 1 41 41 ILE HG23 H 1 0.844 0.001 . 1 . . . A 41 ILE HG23 . 17855 1 424 . 1 1 41 41 ILE HD11 H 1 0.687 0.017 . 1 . . . A 41 ILE HD11 . 17855 1 425 . 1 1 41 41 ILE HD12 H 1 0.687 0.017 . 1 . . . A 41 ILE HD12 . 17855 1 426 . 1 1 41 41 ILE HD13 H 1 0.687 0.017 . 1 . . . A 41 ILE HD13 . 17855 1 427 . 1 1 41 41 ILE C C 13 178.759 0.150 . 1 . . . A 41 ILE C . 17855 1 428 . 1 1 41 41 ILE CA C 13 64.939 0.081 . 1 . . . A 41 ILE CA . 17855 1 429 . 1 1 41 41 ILE CB C 13 38.181 0.021 . 1 . . . A 41 ILE CB . 17855 1 430 . 1 1 41 41 ILE CG1 C 13 28.948 0.047 . 1 . . . A 41 ILE CG1 . 17855 1 431 . 1 1 41 41 ILE CG2 C 13 17.510 0.038 . 1 . . . A 41 ILE CG2 . 17855 1 432 . 1 1 41 41 ILE CD1 C 13 14.607 0.054 . 1 . . . A 41 ILE CD1 . 17855 1 433 . 1 1 41 41 ILE N N 15 119.352 0.111 . 1 . . . A 41 ILE N . 17855 1 434 . 1 1 42 42 ILE H H 1 7.960 0.005 . 1 . . . A 42 ILE H . 17855 1 435 . 1 1 42 42 ILE HA H 1 3.526 0.013 . 1 . . . A 42 ILE HA . 17855 1 436 . 1 1 42 42 ILE HB H 1 1.729 0.003 . 1 . . . A 42 ILE HB . 17855 1 437 . 1 1 42 42 ILE HG13 H 1 0.867 0.009 . 2 . . . A 42 ILE HG13 . 17855 1 438 . 1 1 42 42 ILE HG21 H 1 0.846 0.002 . 1 . . . A 42 ILE HG21 . 17855 1 439 . 1 1 42 42 ILE HG22 H 1 0.846 0.002 . 1 . . . A 42 ILE HG22 . 17855 1 440 . 1 1 42 42 ILE HG23 H 1 0.846 0.002 . 1 . . . A 42 ILE HG23 . 17855 1 441 . 1 1 42 42 ILE HD11 H 1 0.717 0.006 . 1 . . . A 42 ILE HD11 . 17855 1 442 . 1 1 42 42 ILE HD12 H 1 0.717 0.006 . 1 . . . A 42 ILE HD12 . 17855 1 443 . 1 1 42 42 ILE HD13 H 1 0.717 0.006 . 1 . . . A 42 ILE HD13 . 17855 1 444 . 1 1 42 42 ILE C C 13 177.379 0.150 . 1 . . . A 42 ILE C . 17855 1 445 . 1 1 42 42 ILE CA C 13 64.788 0.035 . 1 . . . A 42 ILE CA . 17855 1 446 . 1 1 42 42 ILE CB C 13 37.791 0.051 . 1 . . . A 42 ILE CB . 17855 1 447 . 1 1 42 42 ILE CG1 C 13 29.479 0.051 . 1 . . . A 42 ILE CG1 . 17855 1 448 . 1 1 42 42 ILE CG2 C 13 17.190 0.038 . 1 . . . A 42 ILE CG2 . 17855 1 449 . 1 1 42 42 ILE CD1 C 13 13.261 0.021 . 1 . . . A 42 ILE CD1 . 17855 1 450 . 1 1 42 42 ILE N N 15 118.590 0.037 . 1 . . . A 42 ILE N . 17855 1 451 . 1 1 43 43 ALA H H 1 7.521 0.009 . 1 . . . A 43 ALA H . 17855 1 452 . 1 1 43 43 ALA HA H 1 4.011 0.005 . 1 . . . A 43 ALA HA . 17855 1 453 . 1 1 43 43 ALA HB1 H 1 1.429 0.002 . 1 . . . A 43 ALA HB1 . 17855 1 454 . 1 1 43 43 ALA HB2 H 1 1.429 0.002 . 1 . . . A 43 ALA HB2 . 17855 1 455 . 1 1 43 43 ALA HB3 H 1 1.429 0.002 . 1 . . . A 43 ALA HB3 . 17855 1 456 . 1 1 43 43 ALA C C 13 179.730 0.150 . 1 . . . A 43 ALA C . 17855 1 457 . 1 1 43 43 ALA CA C 13 54.679 0.046 . 1 . . . A 43 ALA CA . 17855 1 458 . 1 1 43 43 ALA CB C 13 18.070 0.150 . 1 . . . A 43 ALA CB . 17855 1 459 . 1 1 43 43 ALA N N 15 120.907 0.155 . 1 . . . A 43 ALA N . 17855 1 460 . 1 1 44 44 GLU H H 1 7.440 0.006 . 1 . . . A 44 GLU H . 17855 1 461 . 1 1 44 44 GLU HA H 1 4.130 0.050 . 1 . . . A 44 GLU HA . 17855 1 462 . 1 1 44 44 GLU HB2 H 1 1.998 0.006 . 2 . . . A 44 GLU HB2 . 17855 1 463 . 1 1 44 44 GLU HB3 H 1 2.048 0.050 . 2 . . . A 44 GLU HB3 . 17855 1 464 . 1 1 44 44 GLU HG3 H 1 2.336 0.018 . 2 . . . A 44 GLU HG3 . 17855 1 465 . 1 1 44 44 GLU C C 13 176.322 0.150 . 1 . . . A 44 GLU C . 17855 1 466 . 1 1 44 44 GLU CA C 13 57.190 0.150 . 1 . . . A 44 GLU CA . 17855 1 467 . 1 1 44 44 GLU CB C 13 30.584 0.004 . 1 . . . A 44 GLU CB . 17855 1 468 . 1 1 44 44 GLU CG C 13 36.610 0.150 . 1 . . . A 44 GLU CG . 17855 1 469 . 1 1 44 44 GLU N N 15 114.602 0.174 . 1 . . . A 44 GLU N . 17855 1 470 . 1 1 45 45 ASN H H 1 7.660 0.006 . 1 . . . A 45 ASN H . 17855 1 471 . 1 1 45 45 ASN HA H 1 5.082 0.008 . 1 . . . A 45 ASN HA . 17855 1 472 . 1 1 45 45 ASN HB3 H 1 2.639 0.004 . 2 . . . A 45 ASN HB3 . 17855 1 473 . 1 1 45 45 ASN HD21 H 1 7.815 0.003 . 2 . . . A 45 ASN HD21 . 17855 1 474 . 1 1 45 45 ASN HD22 H 1 7.154 0.004 . 2 . . . A 45 ASN HD22 . 17855 1 475 . 1 1 45 45 ASN CA C 13 50.920 0.150 . 1 . . . A 45 ASN CA . 17855 1 476 . 1 1 45 45 ASN CB C 13 39.370 0.150 . 1 . . . A 45 ASN CB . 17855 1 477 . 1 1 45 45 ASN CG C 13 178.294 0.150 . 1 . . . A 45 ASN CG . 17855 1 478 . 1 1 45 45 ASN N N 15 115.553 0.144 . 1 . . . A 45 ASN N . 17855 1 479 . 1 1 45 45 ASN ND2 N 15 114.018 0.083 . 1 . . . A 45 ASN ND2 . 17855 1 480 . 1 1 46 46 PRO HA H 1 4.376 0.011 . 1 . . . A 46 PRO HA . 17855 1 481 . 1 1 46 46 PRO HB2 H 1 2.331 0.003 . 2 . . . A 46 PRO HB2 . 17855 1 482 . 1 1 46 46 PRO HB3 H 1 1.876 0.050 . 2 . . . A 46 PRO HB3 . 17855 1 483 . 1 1 46 46 PRO HG2 H 1 1.896 0.050 . 2 . . . A 46 PRO HG2 . 17855 1 484 . 1 1 46 46 PRO HG3 H 1 1.952 0.014 . 2 . . . A 46 PRO HG3 . 17855 1 485 . 1 1 46 46 PRO HD3 H 1 3.564 0.012 . 2 . . . A 46 PRO HD3 . 17855 1 486 . 1 1 46 46 PRO C C 13 179.393 0.150 . 1 . . . A 46 PRO C . 17855 1 487 . 1 1 46 46 PRO CA C 13 65.282 0.070 . 1 . . . A 46 PRO CA . 17855 1 488 . 1 1 46 46 PRO CB C 13 31.499 0.001 . 1 . . . A 46 PRO CB . 17855 1 489 . 1 1 46 46 PRO CG C 13 27.003 0.090 . 1 . . . A 46 PRO CG . 17855 1 490 . 1 1 46 46 PRO CD C 13 50.470 0.150 . 1 . . . A 46 PRO CD . 17855 1 491 . 1 1 47 47 GLU H H 1 8.683 0.010 . 1 . . . A 47 GLU H . 17855 1 492 . 1 1 47 47 GLU HA H 1 4.103 0.002 . 1 . . . A 47 GLU HA . 17855 1 493 . 1 1 47 47 GLU HB2 H 1 2.001 0.014 . 2 . . . A 47 GLU HB2 . 17855 1 494 . 1 1 47 47 GLU HB3 H 1 2.014 0.001 . 2 . . . A 47 GLU HB3 . 17855 1 495 . 1 1 47 47 GLU HG3 H 1 2.502 0.007 . 2 . . . A 47 GLU HG3 . 17855 1 496 . 1 1 47 47 GLU C C 13 178.445 0.150 . 1 . . . A 47 GLU C . 17855 1 497 . 1 1 47 47 GLU CA C 13 58.400 0.150 . 1 . . . A 47 GLU CA . 17855 1 498 . 1 1 47 47 GLU CB C 13 28.749 0.024 . 1 . . . A 47 GLU CB . 17855 1 499 . 1 1 47 47 GLU CG C 13 36.380 0.001 . 1 . . . A 47 GLU CG . 17855 1 500 . 1 1 47 47 GLU N N 15 116.525 0.048 . 1 . . . A 47 GLU N . 17855 1 501 . 1 1 48 48 ILE H H 1 7.682 0.003 . 1 . . . A 48 ILE H . 17855 1 502 . 1 1 48 48 ILE HA H 1 4.294 0.002 . 1 . . . A 48 ILE HA . 17855 1 503 . 1 1 48 48 ILE HB H 1 1.940 0.007 . 1 . . . A 48 ILE HB . 17855 1 504 . 1 1 48 48 ILE HG12 H 1 1.398 0.010 . 2 . . . A 48 ILE HG12 . 17855 1 505 . 1 1 48 48 ILE HG21 H 1 0.844 0.005 . 1 . . . A 48 ILE HG21 . 17855 1 506 . 1 1 48 48 ILE HG22 H 1 0.844 0.005 . 1 . . . A 48 ILE HG22 . 17855 1 507 . 1 1 48 48 ILE HG23 H 1 0.844 0.005 . 1 . . . A 48 ILE HG23 . 17855 1 508 . 1 1 48 48 ILE HD11 H 1 0.713 0.007 . 1 . . . A 48 ILE HD11 . 17855 1 509 . 1 1 48 48 ILE HD12 H 1 0.713 0.007 . 1 . . . A 48 ILE HD12 . 17855 1 510 . 1 1 48 48 ILE HD13 H 1 0.713 0.007 . 1 . . . A 48 ILE HD13 . 17855 1 511 . 1 1 48 48 ILE C C 13 176.077 0.150 . 1 . . . A 48 ILE C . 17855 1 512 . 1 1 48 48 ILE CA C 13 61.437 0.051 . 1 . . . A 48 ILE CA . 17855 1 513 . 1 1 48 48 ILE CB C 13 38.990 0.065 . 1 . . . A 48 ILE CB . 17855 1 514 . 1 1 48 48 ILE CG1 C 13 28.371 0.048 . 1 . . . A 48 ILE CG1 . 17855 1 515 . 1 1 48 48 ILE CG2 C 13 17.451 0.013 . 1 . . . A 48 ILE CG2 . 17855 1 516 . 1 1 48 48 ILE CD1 C 13 14.019 0.002 . 1 . . . A 48 ILE CD1 . 17855 1 517 . 1 1 48 48 ILE N N 15 117.662 0.043 . 1 . . . A 48 ILE N . 17855 1 518 . 1 1 49 49 ALA H H 1 7.122 0.004 . 1 . . . A 49 ALA H . 17855 1 519 . 1 1 49 49 ALA HA H 1 3.784 0.002 . 1 . . . A 49 ALA HA . 17855 1 520 . 1 1 49 49 ALA HB1 H 1 1.409 0.003 . 1 . . . A 49 ALA HB1 . 17855 1 521 . 1 1 49 49 ALA HB2 H 1 1.409 0.003 . 1 . . . A 49 ALA HB2 . 17855 1 522 . 1 1 49 49 ALA HB3 H 1 1.409 0.003 . 1 . . . A 49 ALA HB3 . 17855 1 523 . 1 1 49 49 ALA C C 13 177.736 0.150 . 1 . . . A 49 ALA C . 17855 1 524 . 1 1 49 49 ALA CA C 13 54.854 0.041 . 1 . . . A 49 ALA CA . 17855 1 525 . 1 1 49 49 ALA CB C 13 19.360 0.150 . 1 . . . A 49 ALA CB . 17855 1 526 . 1 1 49 49 ALA N N 15 120.407 0.175 . 1 . . . A 49 ALA N . 17855 1 527 . 1 1 50 50 LYS H H 1 7.706 0.002 . 1 . . . A 50 LYS H . 17855 1 528 . 1 1 50 50 LYS HA H 1 4.242 0.014 . 1 . . . A 50 LYS HA . 17855 1 529 . 1 1 50 50 LYS HB2 H 1 1.613 0.050 . 2 . . . A 50 LYS HB2 . 17855 1 530 . 1 1 50 50 LYS HB3 H 1 1.936 0.003 . 2 . . . A 50 LYS HB3 . 17855 1 531 . 1 1 50 50 LYS HG2 H 1 1.449 0.050 . 2 . . . A 50 LYS HG2 . 17855 1 532 . 1 1 50 50 LYS HD3 H 1 1.614 0.016 . 2 . . . A 50 LYS HD3 . 17855 1 533 . 1 1 50 50 LYS HE3 H 1 2.906 0.050 . 2 . . . A 50 LYS HE3 . 17855 1 534 . 1 1 50 50 LYS C C 13 175.920 0.150 . 1 . . . A 50 LYS C . 17855 1 535 . 1 1 50 50 LYS CA C 13 56.177 0.029 . 1 . . . A 50 LYS CA . 17855 1 536 . 1 1 50 50 LYS CB C 13 32.499 0.002 . 1 . . . A 50 LYS CB . 17855 1 537 . 1 1 50 50 LYS CG C 13 24.543 0.007 . 1 . . . A 50 LYS CG . 17855 1 538 . 1 1 50 50 LYS CD C 13 29.101 0.001 . 1 . . . A 50 LYS CD . 17855 1 539 . 1 1 50 50 LYS CE C 13 42.138 0.002 . 1 . . . A 50 LYS CE . 17855 1 540 . 1 1 50 50 LYS N N 15 112.612 0.086 . 1 . . . A 50 LYS N . 17855 1 541 . 1 1 51 51 ASP H H 1 8.055 0.003 . 1 . . . A 51 ASP H . 17855 1 542 . 1 1 51 51 ASP HA H 1 4.722 0.050 . 1 . . . A 51 ASP HA . 17855 1 543 . 1 1 51 51 ASP HB2 H 1 3.113 0.050 . 2 . . . A 51 ASP HB2 . 17855 1 544 . 1 1 51 51 ASP HB3 H 1 3.168 0.050 . 2 . . . A 51 ASP HB3 . 17855 1 545 . 1 1 51 51 ASP C C 13 174.536 0.150 . 1 . . . A 51 ASP C . 17855 1 546 . 1 1 51 51 ASP CA C 13 52.355 0.150 . 1 . . . A 51 ASP CA . 17855 1 547 . 1 1 51 51 ASP CB C 13 40.551 0.150 . 1 . . . A 51 ASP CB . 17855 1 548 . 1 1 51 51 ASP N N 15 123.396 0.110 . 1 . . . A 51 ASP N . 17855 1 549 . 1 1 52 52 VAL H H 1 7.843 0.006 . 1 . . . A 52 VAL H . 17855 1 550 . 1 1 52 52 VAL HA H 1 3.615 0.015 . 1 . . . A 52 VAL HA . 17855 1 551 . 1 1 52 52 VAL HB H 1 2.063 0.001 . 1 . . . A 52 VAL HB . 17855 1 552 . 1 1 52 52 VAL HG11 H 1 0.980 0.009 . 2 . . . A 52 VAL HG11 . 17855 1 553 . 1 1 52 52 VAL HG12 H 1 0.980 0.009 . 2 . . . A 52 VAL HG12 . 17855 1 554 . 1 1 52 52 VAL HG13 H 1 0.980 0.009 . 2 . . . A 52 VAL HG13 . 17855 1 555 . 1 1 52 52 VAL C C 13 178.950 0.150 . 1 . . . A 52 VAL C . 17855 1 556 . 1 1 52 52 VAL CA C 13 65.681 0.051 . 1 . . . A 52 VAL CA . 17855 1 557 . 1 1 52 52 VAL CB C 13 31.770 0.150 . 1 . . . A 52 VAL CB . 17855 1 558 . 1 1 52 52 VAL CG1 C 13 20.095 0.095 . 2 . . . A 52 VAL CG1 . 17855 1 559 . 1 1 52 52 VAL CG2 C 13 20.990 0.150 . 2 . . . A 52 VAL CG2 . 17855 1 560 . 1 1 52 52 VAL N N 15 120.835 0.100 . 1 . . . A 52 VAL N . 17855 1 561 . 1 1 53 53 ALA H H 1 8.372 0.005 . 1 . . . A 53 ALA H . 17855 1 562 . 1 1 53 53 ALA HA H 1 4.222 0.002 . 1 . . . A 53 ALA HA . 17855 1 563 . 1 1 53 53 ALA HB1 H 1 1.372 0.050 . 1 . . . A 53 ALA HB1 . 17855 1 564 . 1 1 53 53 ALA HB2 H 1 1.372 0.050 . 1 . . . A 53 ALA HB2 . 17855 1 565 . 1 1 53 53 ALA HB3 H 1 1.372 0.050 . 1 . . . A 53 ALA HB3 . 17855 1 566 . 1 1 53 53 ALA C C 13 180.394 0.150 . 1 . . . A 53 ALA C . 17855 1 567 . 1 1 53 53 ALA CA C 13 54.580 0.150 . 1 . . . A 53 ALA CA . 17855 1 568 . 1 1 53 53 ALA CB C 13 18.043 0.150 . 1 . . . A 53 ALA CB . 17855 1 569 . 1 1 53 53 ALA N N 15 124.132 0.149 . 1 . . . A 53 ALA N . 17855 1 570 . 1 1 54 54 ALA H H 1 7.791 0.007 . 1 . . . A 54 ALA H . 17855 1 571 . 1 1 54 54 ALA HA H 1 3.969 0.001 . 1 . . . A 54 ALA HA . 17855 1 572 . 1 1 54 54 ALA HB1 H 1 1.383 0.004 . 1 . . . A 54 ALA HB1 . 17855 1 573 . 1 1 54 54 ALA HB2 H 1 1.383 0.004 . 1 . . . A 54 ALA HB2 . 17855 1 574 . 1 1 54 54 ALA HB3 H 1 1.383 0.004 . 1 . . . A 54 ALA HB3 . 17855 1 575 . 1 1 54 54 ALA C C 13 181.062 0.150 . 1 . . . A 54 ALA C . 17855 1 576 . 1 1 54 54 ALA CA C 13 54.870 0.150 . 1 . . . A 54 ALA CA . 17855 1 577 . 1 1 54 54 ALA CB C 13 18.112 0.150 . 1 . . . A 54 ALA CB . 17855 1 578 . 1 1 54 54 ALA N N 15 123.013 0.136 . 1 . . . A 54 ALA N . 17855 1 579 . 1 1 55 55 ILE H H 1 8.136 0.004 . 1 . . . A 55 ILE H . 17855 1 580 . 1 1 55 55 ILE HA H 1 3.566 0.016 . 1 . . . A 55 ILE HA . 17855 1 581 . 1 1 55 55 ILE HB H 1 1.759 0.003 . 1 . . . A 55 ILE HB . 17855 1 582 . 1 1 55 55 ILE HG13 H 1 0.774 0.002 . 2 . . . A 55 ILE HG13 . 17855 1 583 . 1 1 55 55 ILE HG21 H 1 0.808 0.003 . 1 . . . A 55 ILE HG21 . 17855 1 584 . 1 1 55 55 ILE HG22 H 1 0.808 0.003 . 1 . . . A 55 ILE HG22 . 17855 1 585 . 1 1 55 55 ILE HG23 H 1 0.808 0.003 . 1 . . . A 55 ILE HG23 . 17855 1 586 . 1 1 55 55 ILE HD11 H 1 0.717 0.013 . 1 . . . A 55 ILE HD11 . 17855 1 587 . 1 1 55 55 ILE HD12 H 1 0.717 0.013 . 1 . . . A 55 ILE HD12 . 17855 1 588 . 1 1 55 55 ILE HD13 H 1 0.717 0.013 . 1 . . . A 55 ILE HD13 . 17855 1 589 . 1 1 55 55 ILE C C 13 178.109 0.150 . 1 . . . A 55 ILE C . 17855 1 590 . 1 1 55 55 ILE CA C 13 65.708 0.038 . 1 . . . A 55 ILE CA . 17855 1 591 . 1 1 55 55 ILE CB C 13 38.079 0.042 . 1 . . . A 55 ILE CB . 17855 1 592 . 1 1 55 55 ILE CG1 C 13 29.382 0.115 . 1 . . . A 55 ILE CG1 . 17855 1 593 . 1 1 55 55 ILE CG2 C 13 17.213 0.033 . 1 . . . A 55 ILE CG2 . 17855 1 594 . 1 1 55 55 ILE CD1 C 13 13.591 0.025 . 1 . . . A 55 ILE CD1 . 17855 1 595 . 1 1 55 55 ILE N N 15 118.818 0.190 . 1 . . . A 55 ILE N . 17855 1 596 . 1 1 56 56 GLY H H 1 8.053 0.009 . 1 . . . A 56 GLY H . 17855 1 597 . 1 1 56 56 GLY HA2 H 1 3.853 0.050 . 2 . . . A 56 GLY HA2 . 17855 1 598 . 1 1 56 56 GLY HA3 H 1 3.725 0.001 . 2 . . . A 56 GLY HA3 . 17855 1 599 . 1 1 56 56 GLY C C 13 177.118 0.150 . 1 . . . A 56 GLY C . 17855 1 600 . 1 1 56 56 GLY CA C 13 47.440 0.150 . 1 . . . A 56 GLY CA . 17855 1 601 . 1 1 56 56 GLY N N 15 106.518 0.110 . 1 . . . A 56 GLY N . 17855 1 602 . 1 1 57 57 LYS H H 1 7.807 0.013 . 1 . . . A 57 LYS H . 17855 1 603 . 1 1 57 57 LYS HA H 1 4.125 0.005 . 1 . . . A 57 LYS HA . 17855 1 604 . 1 1 57 57 LYS HB3 H 1 1.871 0.001 . 2 . . . A 57 LYS HB3 . 17855 1 605 . 1 1 57 57 LYS HG2 H 1 1.388 0.050 . 2 . . . A 57 LYS HG2 . 17855 1 606 . 1 1 57 57 LYS HG3 H 1 1.502 0.050 . 2 . . . A 57 LYS HG3 . 17855 1 607 . 1 1 57 57 LYS HD2 H 1 1.606 0.050 . 2 . . . A 57 LYS HD2 . 17855 1 608 . 1 1 57 57 LYS HD3 H 1 1.500 0.050 . 2 . . . A 57 LYS HD3 . 17855 1 609 . 1 1 57 57 LYS HE3 H 1 2.877 0.014 . 2 . . . A 57 LYS HE3 . 17855 1 610 . 1 1 57 57 LYS C C 13 179.705 0.150 . 1 . . . A 57 LYS C . 17855 1 611 . 1 1 57 57 LYS CA C 13 59.400 0.011 . 1 . . . A 57 LYS CA . 17855 1 612 . 1 1 57 57 LYS CB C 13 32.426 0.029 . 1 . . . A 57 LYS CB . 17855 1 613 . 1 1 57 57 LYS CG C 13 24.863 0.079 . 1 . . . A 57 LYS CG . 17855 1 614 . 1 1 57 57 LYS CD C 13 29.237 0.024 . 1 . . . A 57 LYS CD . 17855 1 615 . 1 1 57 57 LYS CE C 13 42.108 0.004 . 1 . . . A 57 LYS CE . 17855 1 616 . 1 1 57 57 LYS N N 15 122.305 0.020 . 1 . . . A 57 LYS N . 17855 1 617 . 1 1 58 58 MET H H 1 7.854 0.018 . 1 . . . A 58 MET H . 17855 1 618 . 1 1 58 58 MET HA H 1 4.218 0.002 . 1 . . . A 58 MET HA . 17855 1 619 . 1 1 58 58 MET HB2 H 1 2.238 0.010 . 2 . . . A 58 MET HB2 . 17855 1 620 . 1 1 58 58 MET HB3 H 1 2.089 0.014 . 2 . . . A 58 MET HB3 . 17855 1 621 . 1 1 58 58 MET HG2 H 1 1.997 0.001 . 2 . . . A 58 MET HG2 . 17855 1 622 . 1 1 58 58 MET C C 13 179.802 0.150 . 1 . . . A 58 MET C . 17855 1 623 . 1 1 58 58 MET CA C 13 59.812 0.004 . 1 . . . A 58 MET CA . 17855 1 624 . 1 1 58 58 MET CB C 13 33.851 0.004 . 1 . . . A 58 MET CB . 17855 1 625 . 1 1 58 58 MET CG C 13 30.013 0.150 . 1 . . . A 58 MET CG . 17855 1 626 . 1 1 58 58 MET CE C 13 26.769 0.150 . 1 . . . A 58 MET CE . 17855 1 627 . 1 1 58 58 MET N N 15 119.935 0.108 . 1 . . . A 58 MET N . 17855 1 628 . 1 1 59 59 ILE H H 1 8.632 0.007 . 1 . . . A 59 ILE H . 17855 1 629 . 1 1 59 59 ILE HA H 1 3.554 0.016 . 1 . . . A 59 ILE HA . 17855 1 630 . 1 1 59 59 ILE HB H 1 1.909 0.016 . 1 . . . A 59 ILE HB . 17855 1 631 . 1 1 59 59 ILE HG13 H 1 0.459 0.013 . 2 . . . A 59 ILE HG13 . 17855 1 632 . 1 1 59 59 ILE HG21 H 1 0.806 0.002 . 1 . . . A 59 ILE HG21 . 17855 1 633 . 1 1 59 59 ILE HG22 H 1 0.806 0.002 . 1 . . . A 59 ILE HG22 . 17855 1 634 . 1 1 59 59 ILE HG23 H 1 0.806 0.002 . 1 . . . A 59 ILE HG23 . 17855 1 635 . 1 1 59 59 ILE HD11 H 1 0.686 0.002 . 1 . . . A 59 ILE HD11 . 17855 1 636 . 1 1 59 59 ILE HD12 H 1 0.686 0.002 . 1 . . . A 59 ILE HD12 . 17855 1 637 . 1 1 59 59 ILE HD13 H 1 0.686 0.002 . 1 . . . A 59 ILE HD13 . 17855 1 638 . 1 1 59 59 ILE C C 13 178.066 0.150 . 1 . . . A 59 ILE C . 17855 1 639 . 1 1 59 59 ILE CA C 13 66.680 0.033 . 1 . . . A 59 ILE CA . 17855 1 640 . 1 1 59 59 ILE CB C 13 37.820 0.001 . 1 . . . A 59 ILE CB . 17855 1 641 . 1 1 59 59 ILE CG1 C 13 29.530 0.031 . 1 . . . A 59 ILE CG1 . 17855 1 642 . 1 1 59 59 ILE CG2 C 13 17.501 0.054 . 1 . . . A 59 ILE CG2 . 17855 1 643 . 1 1 59 59 ILE CD1 C 13 13.741 0.026 . 1 . . . A 59 ILE CD1 . 17855 1 644 . 1 1 59 59 ILE N N 15 122.122 0.044 . 1 . . . A 59 ILE N . 17855 1 645 . 1 1 60 60 GLY H H 1 8.380 0.005 . 1 . . . A 60 GLY H . 17855 1 646 . 1 1 60 60 GLY HA2 H 1 3.981 0.050 . 2 . . . A 60 GLY HA2 . 17855 1 647 . 1 1 60 60 GLY C C 13 176.184 0.150 . 1 . . . A 60 GLY C . 17855 1 648 . 1 1 60 60 GLY CA C 13 47.970 0.150 . 1 . . . A 60 GLY CA . 17855 1 649 . 1 1 60 60 GLY N N 15 107.925 0.039 . 1 . . . A 60 GLY N . 17855 1 650 . 1 1 61 61 ALA H H 1 7.935 0.007 . 1 . . . A 61 ALA H . 17855 1 651 . 1 1 61 61 ALA HA H 1 4.215 0.002 . 1 . . . A 61 ALA HA . 17855 1 652 . 1 1 61 61 ALA HB1 H 1 1.454 0.001 . 1 . . . A 61 ALA HB1 . 17855 1 653 . 1 1 61 61 ALA HB2 H 1 1.454 0.001 . 1 . . . A 61 ALA HB2 . 17855 1 654 . 1 1 61 61 ALA HB3 H 1 1.454 0.001 . 1 . . . A 61 ALA HB3 . 17855 1 655 . 1 1 61 61 ALA C C 13 180.488 0.150 . 1 . . . A 61 ALA C . 17855 1 656 . 1 1 61 61 ALA CA C 13 54.860 0.150 . 1 . . . A 61 ALA CA . 17855 1 657 . 1 1 61 61 ALA CB C 13 18.090 0.150 . 1 . . . A 61 ALA CB . 17855 1 658 . 1 1 61 61 ALA N N 15 123.271 0.148 . 1 . . . A 61 ALA N . 17855 1 659 . 1 1 62 62 ALA H H 1 7.904 0.005 . 1 . . . A 62 ALA H . 17855 1 660 . 1 1 62 62 ALA HA H 1 4.223 0.001 . 1 . . . A 62 ALA HA . 17855 1 661 . 1 1 62 62 ALA HB1 H 1 1.789 0.004 . 1 . . . A 62 ALA HB1 . 17855 1 662 . 1 1 62 62 ALA HB2 H 1 1.789 0.004 . 1 . . . A 62 ALA HB2 . 17855 1 663 . 1 1 62 62 ALA HB3 H 1 1.789 0.004 . 1 . . . A 62 ALA HB3 . 17855 1 664 . 1 1 62 62 ALA C C 13 180.177 0.150 . 1 . . . A 62 ALA C . 17855 1 665 . 1 1 62 62 ALA CA C 13 54.542 0.004 . 1 . . . A 62 ALA CA . 17855 1 666 . 1 1 62 62 ALA CB C 13 17.550 0.150 . 1 . . . A 62 ALA CB . 17855 1 667 . 1 1 62 62 ALA N N 15 121.397 0.064 . 1 . . . A 62 ALA N . 17855 1 668 . 1 1 63 63 TRP H H 1 8.770 0.008 . 1 . . . A 63 TRP H . 17855 1 669 . 1 1 63 63 TRP HA H 1 3.746 0.004 . 1 . . . A 63 TRP HA . 17855 1 670 . 1 1 63 63 TRP HB2 H 1 3.290 0.050 . 2 . . . A 63 TRP HB2 . 17855 1 671 . 1 1 63 63 TRP HD1 H 1 7.201 0.050 . 1 . . . A 63 TRP HD1 . 17855 1 672 . 1 1 63 63 TRP HE1 H 1 9.972 0.050 . 1 . . . A 63 TRP HE1 . 17855 1 673 . 1 1 63 63 TRP C C 13 177.866 0.150 . 1 . . . A 63 TRP C . 17855 1 674 . 1 1 63 63 TRP CA C 13 58.910 0.150 . 1 . . . A 63 TRP CA . 17855 1 675 . 1 1 63 63 TRP CB C 13 30.515 0.150 . 1 . . . A 63 TRP CB . 17855 1 676 . 1 1 63 63 TRP N N 15 120.631 0.157 . 1 . . . A 63 TRP N . 17855 1 677 . 1 1 63 63 TRP NE1 N 15 127.736 0.150 . 1 . . . A 63 TRP NE1 . 17855 1 678 . 1 1 64 64 ASN H H 1 7.924 0.004 . 1 . . . A 64 ASN H . 17855 1 679 . 1 1 64 64 ASN HA H 1 4.246 0.007 . 1 . . . A 64 ASN HA . 17855 1 680 . 1 1 64 64 ASN HB3 H 1 2.788 0.002 . 2 . . . A 64 ASN HB3 . 17855 1 681 . 1 1 64 64 ASN HD21 H 1 6.862 0.007 . 2 . . . A 64 ASN HD21 . 17855 1 682 . 1 1 64 64 ASN HD22 H 1 7.537 0.005 . 2 . . . A 64 ASN HD22 . 17855 1 683 . 1 1 64 64 ASN C C 13 175.677 0.150 . 1 . . . A 64 ASN C . 17855 1 684 . 1 1 64 64 ASN CA C 13 54.840 0.150 . 1 . . . A 64 ASN CA . 17855 1 685 . 1 1 64 64 ASN CB C 13 38.329 0.095 . 1 . . . A 64 ASN CB . 17855 1 686 . 1 1 64 64 ASN CG C 13 176.438 0.150 . 1 . . . A 64 ASN CG . 17855 1 687 . 1 1 64 64 ASN N N 15 114.453 0.141 . 1 . . . A 64 ASN N . 17855 1 688 . 1 1 64 64 ASN ND2 N 15 112.324 0.093 . 1 . . . A 64 ASN ND2 . 17855 1 689 . 1 1 65 65 ALA H H 1 7.193 0.005 . 1 . . . A 65 ALA H . 17855 1 690 . 1 1 65 65 ALA HA H 1 4.242 0.005 . 1 . . . A 65 ALA HA . 17855 1 691 . 1 1 65 65 ALA HB1 H 1 1.423 0.007 . 1 . . . A 65 ALA HB1 . 17855 1 692 . 1 1 65 65 ALA HB2 H 1 1.423 0.007 . 1 . . . A 65 ALA HB2 . 17855 1 693 . 1 1 65 65 ALA HB3 H 1 1.423 0.007 . 1 . . . A 65 ALA HB3 . 17855 1 694 . 1 1 65 65 ALA C C 13 177.743 0.150 . 1 . . . A 65 ALA C . 17855 1 695 . 1 1 65 65 ALA CA C 13 52.050 0.150 . 1 . . . A 65 ALA CA . 17855 1 696 . 1 1 65 65 ALA CB C 13 19.330 0.150 . 1 . . . A 65 ALA CB . 17855 1 697 . 1 1 65 65 ALA N N 15 119.396 0.108 . 1 . . . A 65 ALA N . 17855 1 698 . 1 1 66 66 LEU H H 1 6.964 0.007 . 1 . . . A 66 LEU H . 17855 1 699 . 1 1 66 66 LEU HA H 1 4.267 0.003 . 1 . . . A 66 LEU HA . 17855 1 700 . 1 1 66 66 LEU HB2 H 1 1.282 0.004 . 2 . . . A 66 LEU HB2 . 17855 1 701 . 1 1 66 66 LEU HB3 H 1 1.464 0.050 . 2 . . . A 66 LEU HB3 . 17855 1 702 . 1 1 66 66 LEU HG H 1 1.379 0.050 . 1 . . . A 66 LEU HG . 17855 1 703 . 1 1 66 66 LEU HD11 H 1 0.297 0.013 . 2 . . . A 66 LEU HD11 . 17855 1 704 . 1 1 66 66 LEU HD12 H 1 0.297 0.013 . 2 . . . A 66 LEU HD12 . 17855 1 705 . 1 1 66 66 LEU HD13 H 1 0.297 0.013 . 2 . . . A 66 LEU HD13 . 17855 1 706 . 1 1 66 66 LEU HD21 H 1 0.319 0.008 . 2 . . . A 66 LEU HD21 . 17855 1 707 . 1 1 66 66 LEU HD22 H 1 0.319 0.008 . 2 . . . A 66 LEU HD22 . 17855 1 708 . 1 1 66 66 LEU HD23 H 1 0.319 0.008 . 2 . . . A 66 LEU HD23 . 17855 1 709 . 1 1 66 66 LEU C C 13 177.774 0.150 . 1 . . . A 66 LEU C . 17855 1 710 . 1 1 66 66 LEU CA C 13 54.709 0.050 . 1 . . . A 66 LEU CA . 17855 1 711 . 1 1 66 66 LEU CB C 13 43.049 0.047 . 1 . . . A 66 LEU CB . 17855 1 712 . 1 1 66 66 LEU CG C 13 27.424 0.005 . 1 . . . A 66 LEU CG . 17855 1 713 . 1 1 66 66 LEU CD1 C 13 23.829 0.037 . 2 . . . A 66 LEU CD1 . 17855 1 714 . 1 1 66 66 LEU CD2 C 13 22.739 0.014 . 2 . . . A 66 LEU CD2 . 17855 1 715 . 1 1 66 66 LEU N N 15 120.143 0.101 . 1 . . . A 66 LEU N . 17855 1 716 . 1 1 67 67 SER H H 1 9.092 0.004 . 1 . . . A 67 SER H . 17855 1 717 . 1 1 67 67 SER HA H 1 4.314 0.020 . 1 . . . A 67 SER HA . 17855 1 718 . 1 1 67 67 SER HB2 H 1 3.974 0.006 . 2 . . . A 67 SER HB2 . 17855 1 719 . 1 1 67 67 SER C C 13 174.702 0.150 . 1 . . . A 67 SER C . 17855 1 720 . 1 1 67 67 SER CA C 13 57.010 0.150 . 1 . . . A 67 SER CA . 17855 1 721 . 1 1 67 67 SER CB C 13 65.260 0.150 . 1 . . . A 67 SER CB . 17855 1 722 . 1 1 67 67 SER N N 15 119.947 0.110 . 1 . . . A 67 SER N . 17855 1 723 . 1 1 68 68 ASP H H 1 8.778 0.007 . 1 . . . A 68 ASP H . 17855 1 724 . 1 1 68 68 ASP HA H 1 4.094 0.001 . 1 . . . A 68 ASP HA . 17855 1 725 . 1 1 68 68 ASP HB3 H 1 2.549 0.001 . 2 . . . A 68 ASP HB3 . 17855 1 726 . 1 1 68 68 ASP C C 13 179.528 0.150 . 1 . . . A 68 ASP C . 17855 1 727 . 1 1 68 68 ASP CA C 13 58.450 0.150 . 1 . . . A 68 ASP CA . 17855 1 728 . 1 1 68 68 ASP CB C 13 39.740 0.150 . 1 . . . A 68 ASP CB . 17855 1 729 . 1 1 68 68 ASP N N 15 120.428 0.038 . 1 . . . A 68 ASP N . 17855 1 730 . 1 1 69 69 GLU H H 1 8.390 0.003 . 1 . . . A 69 GLU H . 17855 1 731 . 1 1 69 69 GLU HA H 1 3.923 0.022 . 1 . . . A 69 GLU HA . 17855 1 732 . 1 1 69 69 GLU HB3 H 1 1.926 0.050 . 2 . . . A 69 GLU HB3 . 17855 1 733 . 1 1 69 69 GLU HG3 H 1 2.217 0.004 . 2 . . . A 69 GLU HG3 . 17855 1 734 . 1 1 69 69 GLU C C 13 179.499 0.150 . 1 . . . A 69 GLU C . 17855 1 735 . 1 1 69 69 GLU CA C 13 59.948 0.005 . 1 . . . A 69 GLU CA . 17855 1 736 . 1 1 69 69 GLU CB C 13 29.365 0.150 . 1 . . . A 69 GLU CB . 17855 1 737 . 1 1 69 69 GLU CG C 13 36.030 0.001 . 1 . . . A 69 GLU CG . 17855 1 738 . 1 1 69 69 GLU N N 15 119.236 0.144 . 1 . . . A 69 GLU N . 17855 1 739 . 1 1 70 70 GLU H H 1 7.609 0.008 . 1 . . . A 70 GLU H . 17855 1 740 . 1 1 70 70 GLU HA H 1 4.018 0.007 . 1 . . . A 70 GLU HA . 17855 1 741 . 1 1 70 70 GLU HB3 H 1 2.206 0.021 . 2 . . . A 70 GLU HB3 . 17855 1 742 . 1 1 70 70 GLU HG3 H 1 2.344 0.005 . 2 . . . A 70 GLU HG3 . 17855 1 743 . 1 1 70 70 GLU C C 13 178.005 0.150 . 1 . . . A 70 GLU C . 17855 1 744 . 1 1 70 70 GLU CA C 13 58.220 0.009 . 1 . . . A 70 GLU CA . 17855 1 745 . 1 1 70 70 GLU CB C 13 31.131 0.041 . 1 . . . A 70 GLU CB . 17855 1 746 . 1 1 70 70 GLU CG C 13 36.308 0.019 . 1 . . . A 70 GLU CG . 17855 1 747 . 1 1 70 70 GLU N N 15 119.356 0.194 . 1 . . . A 70 GLU N . 17855 1 748 . 1 1 71 71 LYS H H 1 7.567 0.003 . 1 . . . A 71 LYS H . 17855 1 749 . 1 1 71 71 LYS HA H 1 4.224 0.010 . 1 . . . A 71 LYS HA . 17855 1 750 . 1 1 71 71 LYS HB2 H 1 1.800 0.002 . 2 . . . A 71 LYS HB2 . 17855 1 751 . 1 1 71 71 LYS HB3 H 1 1.600 0.050 . 2 . . . A 71 LYS HB3 . 17855 1 752 . 1 1 71 71 LYS HG2 H 1 1.346 0.005 . 2 . . . A 71 LYS HG2 . 17855 1 753 . 1 1 71 71 LYS HE3 H 1 2.947 0.050 . 2 . . . A 71 LYS HE3 . 17855 1 754 . 1 1 71 71 LYS C C 13 178.211 0.150 . 1 . . . A 71 LYS C . 17855 1 755 . 1 1 71 71 LYS CA C 13 58.681 0.022 . 1 . . . A 71 LYS CA . 17855 1 756 . 1 1 71 71 LYS CB C 13 33.760 0.001 . 1 . . . A 71 LYS CB . 17855 1 757 . 1 1 71 71 LYS CG C 13 26.750 0.001 . 1 . . . A 71 LYS CG . 17855 1 758 . 1 1 71 71 LYS CD C 13 29.775 0.150 . 1 . . . A 71 LYS CD . 17855 1 759 . 1 1 71 71 LYS CE C 13 41.630 0.150 . 1 . . . A 71 LYS CE . 17855 1 760 . 1 1 71 71 LYS N N 15 116.534 0.029 . 1 . . . A 71 LYS N . 17855 1 761 . 1 1 72 72 LYS H H 1 7.253 0.005 . 1 . . . A 72 LYS H . 17855 1 762 . 1 1 72 72 LYS HA H 1 4.152 0.004 . 1 . . . A 72 LYS HA . 17855 1 763 . 1 1 72 72 LYS HB3 H 1 1.837 0.001 . 2 . . . A 72 LYS HB3 . 17855 1 764 . 1 1 72 72 LYS HG2 H 1 1.714 0.003 . 2 . . . A 72 LYS HG2 . 17855 1 765 . 1 1 72 72 LYS HD2 H 1 1.475 0.005 . 2 . . . A 72 LYS HD2 . 17855 1 766 . 1 1 72 72 LYS HD3 H 1 1.683 0.003 . 2 . . . A 72 LYS HD3 . 17855 1 767 . 1 1 72 72 LYS HE3 H 1 3.040 0.005 . 2 . . . A 72 LYS HE3 . 17855 1 768 . 1 1 72 72 LYS C C 13 175.269 0.150 . 1 . . . A 72 LYS C . 17855 1 769 . 1 1 72 72 LYS CA C 13 60.979 0.005 . 1 . . . A 72 LYS CA . 17855 1 770 . 1 1 72 72 LYS CB C 13 30.250 0.004 . 1 . . . A 72 LYS CB . 17855 1 771 . 1 1 72 72 LYS CG C 13 25.480 0.150 . 1 . . . A 72 LYS CG . 17855 1 772 . 1 1 72 72 LYS CD C 13 27.790 0.150 . 1 . . . A 72 LYS CD . 17855 1 773 . 1 1 72 72 LYS CE C 13 42.110 0.001 . 1 . . . A 72 LYS CE . 17855 1 774 . 1 1 72 72 LYS N N 15 119.195 0.179 . 1 . . . A 72 LYS N . 17855 1 775 . 1 1 75 75 GLU HA H 1 4.088 0.001 . 1 . . . A 75 GLU HA . 17855 1 776 . 1 1 75 75 GLU HB3 H 1 1.659 0.050 . 2 . . . A 75 GLU HB3 . 17855 1 777 . 1 1 75 75 GLU HG3 H 1 2.396 0.050 . 2 . . . A 75 GLU HG3 . 17855 1 778 . 1 1 75 75 GLU C C 13 179.125 0.150 . 1 . . . A 75 GLU C . 17855 1 779 . 1 1 75 75 GLU CA C 13 59.084 0.058 . 1 . . . A 75 GLU CA . 17855 1 780 . 1 1 75 75 GLU CB C 13 29.196 0.012 . 1 . . . A 75 GLU CB . 17855 1 781 . 1 1 75 75 GLU CG C 13 36.312 0.045 . 1 . . . A 75 GLU CG . 17855 1 782 . 1 1 76 76 ARG H H 1 8.253 0.004 . 1 . . . A 76 ARG H . 17855 1 783 . 1 1 76 76 ARG HA H 1 4.094 0.001 . 1 . . . A 76 ARG HA . 17855 1 784 . 1 1 76 76 ARG HB3 H 1 1.812 0.002 . 2 . . . A 76 ARG HB3 . 17855 1 785 . 1 1 76 76 ARG HG2 H 1 1.345 0.001 . 2 . . . A 76 ARG HG2 . 17855 1 786 . 1 1 76 76 ARG HD2 H 1 3.228 0.001 . 2 . . . A 76 ARG HD2 . 17855 1 787 . 1 1 76 76 ARG HD3 H 1 3.118 0.050 . 2 . . . A 76 ARG HD3 . 17855 1 788 . 1 1 76 76 ARG C C 13 179.035 0.150 . 1 . . . A 76 ARG C . 17855 1 789 . 1 1 76 76 ARG CA C 13 59.918 0.007 . 1 . . . A 76 ARG CA . 17855 1 790 . 1 1 76 76 ARG CB C 13 29.111 0.020 . 1 . . . A 76 ARG CB . 17855 1 791 . 1 1 76 76 ARG CG C 13 25.011 0.017 . 1 . . . A 76 ARG CG . 17855 1 792 . 1 1 76 76 ARG CD C 13 42.982 0.008 . 1 . . . A 76 ARG CD . 17855 1 793 . 1 1 76 76 ARG N N 15 120.019 0.119 . 1 . . . A 76 ARG N . 17855 1 794 . 1 1 77 77 MET H H 1 7.433 0.002 . 1 . . . A 77 MET H . 17855 1 795 . 1 1 77 77 MET HA H 1 3.597 0.050 . 1 . . . A 77 MET HA . 17855 1 796 . 1 1 77 77 MET HB2 H 1 1.865 0.050 . 2 . . . A 77 MET HB2 . 17855 1 797 . 1 1 77 77 MET HB3 H 1 1.798 0.002 . 2 . . . A 77 MET HB3 . 17855 1 798 . 1 1 77 77 MET HG2 H 1 2.004 0.050 . 2 . . . A 77 MET HG2 . 17855 1 799 . 1 1 77 77 MET HE1 H 1 1.356 0.050 . 1 . . . A 77 MET HE1 . 17855 1 800 . 1 1 77 77 MET HE2 H 1 1.356 0.050 . 1 . . . A 77 MET HE2 . 17855 1 801 . 1 1 77 77 MET HE3 H 1 1.356 0.050 . 1 . . . A 77 MET HE3 . 17855 1 802 . 1 1 77 77 MET C C 13 178.870 0.150 . 1 . . . A 77 MET C . 17855 1 803 . 1 1 77 77 MET CA C 13 59.358 0.066 . 1 . . . A 77 MET CA . 17855 1 804 . 1 1 77 77 MET CB C 13 31.310 0.150 . 1 . . . A 77 MET CB . 17855 1 805 . 1 1 77 77 MET CG C 13 28.895 0.150 . 1 . . . A 77 MET CG . 17855 1 806 . 1 1 77 77 MET CE C 13 24.198 0.016 . 1 . . . A 77 MET CE . 17855 1 807 . 1 1 77 77 MET N N 15 117.961 0.118 . 1 . . . A 77 MET N . 17855 1 808 . 1 1 78 78 SER H H 1 7.785 0.006 . 1 . . . A 78 SER H . 17855 1 809 . 1 1 78 78 SER HA H 1 4.395 0.002 . 1 . . . A 78 SER HA . 17855 1 810 . 1 1 78 78 SER HB2 H 1 4.047 0.001 . 2 . . . A 78 SER HB2 . 17855 1 811 . 1 1 78 78 SER C C 13 177.133 0.150 . 1 . . . A 78 SER C . 17855 1 812 . 1 1 78 78 SER CA C 13 61.540 0.150 . 1 . . . A 78 SER CA . 17855 1 813 . 1 1 78 78 SER CB C 13 63.450 0.150 . 1 . . . A 78 SER CB . 17855 1 814 . 1 1 78 78 SER N N 15 114.469 0.089 . 1 . . . A 78 SER N . 17855 1 815 . 1 1 79 79 ASP H H 1 8.646 0.003 . 1 . . . A 79 ASP H . 17855 1 816 . 1 1 79 79 ASP HA H 1 4.443 0.009 . 1 . . . A 79 ASP HA . 17855 1 817 . 1 1 79 79 ASP HB3 H 1 2.716 0.010 . 2 . . . A 79 ASP HB3 . 17855 1 818 . 1 1 79 79 ASP C C 13 179.314 0.150 . 1 . . . A 79 ASP C . 17855 1 819 . 1 1 79 79 ASP CA C 13 58.210 0.150 . 1 . . . A 79 ASP CA . 17855 1 820 . 1 1 79 79 ASP CB C 13 40.420 0.150 . 1 . . . A 79 ASP CB . 17855 1 821 . 1 1 79 79 ASP N N 15 123.968 0.081 . 1 . . . A 79 ASP N . 17855 1 822 . 1 1 80 80 GLU H H 1 8.150 0.001 . 1 . . . A 80 GLU H . 17855 1 823 . 1 1 80 80 GLU HA H 1 4.025 0.019 . 1 . . . A 80 GLU HA . 17855 1 824 . 1 1 80 80 GLU HB3 H 1 2.021 0.003 . 2 . . . A 80 GLU HB3 . 17855 1 825 . 1 1 80 80 GLU HG2 H 1 2.514 0.011 . 2 . . . A 80 GLU HG2 . 17855 1 826 . 1 1 80 80 GLU HG3 H 1 2.673 0.050 . 2 . . . A 80 GLU HG3 . 17855 1 827 . 1 1 80 80 GLU CA C 13 59.040 0.008 . 1 . . . A 80 GLU CA . 17855 1 828 . 1 1 80 80 GLU CB C 13 29.179 0.004 . 1 . . . A 80 GLU CB . 17855 1 829 . 1 1 80 80 GLU CG C 13 36.350 0.150 . 1 . . . A 80 GLU CG . 17855 1 830 . 1 1 80 80 GLU N N 15 119.078 0.003 . 1 . . . A 80 GLU N . 17855 1 831 . 1 1 82 82 ARG HA H 1 4.045 0.006 . 1 . . . A 82 ARG HA . 17855 1 832 . 1 1 82 82 ARG HB2 H 1 2.133 0.050 . 2 . . . A 82 ARG HB2 . 17855 1 833 . 1 1 82 82 ARG HB3 H 1 2.072 0.050 . 2 . . . A 82 ARG HB3 . 17855 1 834 . 1 1 82 82 ARG HG2 H 1 1.583 0.050 . 2 . . . A 82 ARG HG2 . 17855 1 835 . 1 1 82 82 ARG HD3 H 1 3.191 0.004 . 2 . . . A 82 ARG HD3 . 17855 1 836 . 1 1 82 82 ARG C C 13 178.550 0.150 . 1 . . . A 82 ARG C . 17855 1 837 . 1 1 82 82 ARG CA C 13 60.129 0.019 . 1 . . . A 82 ARG CA . 17855 1 838 . 1 1 82 82 ARG CB C 13 29.087 0.063 . 1 . . . A 82 ARG CB . 17855 1 839 . 1 1 82 82 ARG CG C 13 27.169 0.001 . 1 . . . A 82 ARG CG . 17855 1 840 . 1 1 82 82 ARG CD C 13 43.190 0.023 . 1 . . . A 82 ARG CD . 17855 1 841 . 1 1 83 83 VAL H H 1 7.507 0.004 . 1 . . . A 83 VAL H . 17855 1 842 . 1 1 83 83 VAL HA H 1 3.641 0.008 . 1 . . . A 83 VAL HA . 17855 1 843 . 1 1 83 83 VAL HB H 1 1.782 0.050 . 1 . . . A 83 VAL HB . 17855 1 844 . 1 1 83 83 VAL HG11 H 1 1.004 0.001 . 2 . . . A 83 VAL HG11 . 17855 1 845 . 1 1 83 83 VAL HG12 H 1 1.004 0.001 . 2 . . . A 83 VAL HG12 . 17855 1 846 . 1 1 83 83 VAL HG13 H 1 1.004 0.001 . 2 . . . A 83 VAL HG13 . 17855 1 847 . 1 1 83 83 VAL HG21 H 1 0.907 0.003 . 2 . . . A 83 VAL HG21 . 17855 1 848 . 1 1 83 83 VAL HG22 H 1 0.907 0.003 . 2 . . . A 83 VAL HG22 . 17855 1 849 . 1 1 83 83 VAL HG23 H 1 0.907 0.003 . 2 . . . A 83 VAL HG23 . 17855 1 850 . 1 1 83 83 VAL C C 13 178.543 0.150 . 1 . . . A 83 VAL C . 17855 1 851 . 1 1 83 83 VAL CA C 13 66.760 0.150 . 1 . . . A 83 VAL CA . 17855 1 852 . 1 1 83 83 VAL CB C 13 31.820 0.067 . 1 . . . A 83 VAL CB . 17855 1 853 . 1 1 83 83 VAL CG1 C 13 21.208 0.030 . 2 . . . A 83 VAL CG1 . 17855 1 854 . 1 1 83 83 VAL CG2 C 13 20.599 0.015 . 2 . . . A 83 VAL CG2 . 17855 1 855 . 1 1 83 83 VAL N N 15 120.392 0.055 . 1 . . . A 83 VAL N . 17855 1 856 . 1 1 84 84 ARG H H 1 7.760 0.011 . 1 . . . A 84 ARG H . 17855 1 857 . 1 1 84 84 ARG HA H 1 3.895 0.050 . 1 . . . A 84 ARG HA . 17855 1 858 . 1 1 84 84 ARG HB3 H 1 1.420 0.006 . 2 . . . A 84 ARG HB3 . 17855 1 859 . 1 1 84 84 ARG HD2 H 1 3.229 0.050 . 2 . . . A 84 ARG HD2 . 17855 1 860 . 1 1 84 84 ARG HD3 H 1 3.204 0.050 . 2 . . . A 84 ARG HD3 . 17855 1 861 . 1 1 84 84 ARG C C 13 178.511 0.150 . 1 . . . A 84 ARG C . 17855 1 862 . 1 1 84 84 ARG CA C 13 59.918 0.150 . 1 . . . A 84 ARG CA . 17855 1 863 . 1 1 84 84 ARG CB C 13 27.160 0.150 . 1 . . . A 84 ARG CB . 17855 1 864 . 1 1 84 84 ARG N N 15 121.706 0.140 . 1 . . . A 84 ARG N . 17855 1 865 . 1 1 85 85 TYR H H 1 8.623 0.004 . 1 . . . A 85 TYR H . 17855 1 866 . 1 1 85 85 TYR HA H 1 3.999 0.050 . 1 . . . A 85 TYR HA . 17855 1 867 . 1 1 85 85 TYR HB3 H 1 3.078 0.050 . 2 . . . A 85 TYR HB3 . 17855 1 868 . 1 1 85 85 TYR HD1 H 1 7.162 0.050 . 3 . . . A 85 TYR HD1 . 17855 1 869 . 1 1 85 85 TYR HD2 H 1 7.162 0.050 . 3 . . . A 85 TYR HD2 . 17855 1 870 . 1 1 85 85 TYR HE1 H 1 6.857 0.050 . 3 . . . A 85 TYR HE1 . 17855 1 871 . 1 1 85 85 TYR HE2 H 1 6.857 0.050 . 3 . . . A 85 TYR HE2 . 17855 1 872 . 1 1 85 85 TYR C C 13 176.470 0.150 . 1 . . . A 85 TYR C . 17855 1 873 . 1 1 85 85 TYR CA C 13 62.040 0.150 . 1 . . . A 85 TYR CA . 17855 1 874 . 1 1 85 85 TYR CB C 13 38.492 0.009 . 1 . . . A 85 TYR CB . 17855 1 875 . 1 1 85 85 TYR N N 15 120.911 0.044 . 1 . . . A 85 TYR N . 17855 1 876 . 1 1 86 86 GLU H H 1 8.498 0.004 . 1 . . . A 86 GLU H . 17855 1 877 . 1 1 86 86 GLU HA H 1 3.624 0.016 . 1 . . . A 86 GLU HA . 17855 1 878 . 1 1 86 86 GLU HB2 H 1 2.056 0.050 . 2 . . . A 86 GLU HB2 . 17855 1 879 . 1 1 86 86 GLU HG2 H 1 2.498 0.050 . 2 . . . A 86 GLU HG2 . 17855 1 880 . 1 1 86 86 GLU HG3 H 1 2.398 0.050 . 2 . . . A 86 GLU HG3 . 17855 1 881 . 1 1 86 86 GLU C C 13 179.923 0.150 . 1 . . . A 86 GLU C . 17855 1 882 . 1 1 86 86 GLU CA C 13 59.600 0.001 . 1 . . . A 86 GLU CA . 17855 1 883 . 1 1 86 86 GLU CB C 13 28.632 0.002 . 1 . . . A 86 GLU CB . 17855 1 884 . 1 1 86 86 GLU CG C 13 36.432 0.026 . 1 . . . A 86 GLU CG . 17855 1 885 . 1 1 86 86 GLU N N 15 117.511 0.116 . 1 . . . A 86 GLU N . 17855 1 886 . 1 1 87 87 ARG H H 1 8.129 0.006 . 1 . . . A 87 ARG H . 17855 1 887 . 1 1 87 87 ARG HA H 1 4.147 0.050 . 1 . . . A 87 ARG HA . 17855 1 888 . 1 1 87 87 ARG HB2 H 1 1.816 0.050 . 2 . . . A 87 ARG HB2 . 17855 1 889 . 1 1 87 87 ARG HB3 H 1 1.980 0.050 . 2 . . . A 87 ARG HB3 . 17855 1 890 . 1 1 87 87 ARG HG2 H 1 1.546 0.004 . 2 . . . A 87 ARG HG2 . 17855 1 891 . 1 1 87 87 ARG HG3 H 1 1.500 0.050 . 2 . . . A 87 ARG HG3 . 17855 1 892 . 1 1 87 87 ARG HD2 H 1 3.229 0.050 . 2 . . . A 87 ARG HD2 . 17855 1 893 . 1 1 87 87 ARG HD3 H 1 3.204 0.050 . 2 . . . A 87 ARG HD3 . 17855 1 894 . 1 1 87 87 ARG C C 13 179.061 0.150 . 1 . . . A 87 ARG C . 17855 1 895 . 1 1 87 87 ARG CA C 13 59.036 0.012 . 1 . . . A 87 ARG CA . 17855 1 896 . 1 1 87 87 ARG CB C 13 29.603 0.150 . 1 . . . A 87 ARG CB . 17855 1 897 . 1 1 87 87 ARG CG C 13 27.070 0.009 . 1 . . . A 87 ARG CG . 17855 1 898 . 1 1 87 87 ARG CD C 13 43.350 0.013 . 1 . . . A 87 ARG CD . 17855 1 899 . 1 1 87 87 ARG N N 15 121.403 0.052 . 1 . . . A 87 ARG N . 17855 1 900 . 1 1 88 88 GLU H H 1 8.587 0.008 . 1 . . . A 88 GLU H . 17855 1 901 . 1 1 88 88 GLU HA H 1 3.950 0.001 . 1 . . . A 88 GLU HA . 17855 1 902 . 1 1 88 88 GLU HB3 H 1 1.810 0.050 . 2 . . . A 88 GLU HB3 . 17855 1 903 . 1 1 88 88 GLU HG2 H 1 2.200 0.050 . 2 . . . A 88 GLU HG2 . 17855 1 904 . 1 1 88 88 GLU HG3 H 1 2.253 0.013 . 2 . . . A 88 GLU HG3 . 17855 1 905 . 1 1 88 88 GLU C C 13 180.191 0.150 . 1 . . . A 88 GLU C . 17855 1 906 . 1 1 88 88 GLU CA C 13 59.998 0.014 . 1 . . . A 88 GLU CA . 17855 1 907 . 1 1 88 88 GLU CB C 13 29.868 0.002 . 1 . . . A 88 GLU CB . 17855 1 908 . 1 1 88 88 GLU CG C 13 36.237 0.044 . 1 . . . A 88 GLU CG . 17855 1 909 . 1 1 88 88 GLU N N 15 119.843 0.160 . 1 . . . A 88 GLU N . 17855 1 910 . 1 1 89 89 LYS H H 1 8.931 0.012 . 1 . . . A 89 LYS H . 17855 1 911 . 1 1 89 89 LYS HA H 1 3.703 0.009 . 1 . . . A 89 LYS HA . 17855 1 912 . 1 1 89 89 LYS HB3 H 1 1.455 0.050 . 2 . . . A 89 LYS HB3 . 17855 1 913 . 1 1 89 89 LYS HG3 H 1 1.161 0.013 . 2 . . . A 89 LYS HG3 . 17855 1 914 . 1 1 89 89 LYS HD2 H 1 1.494 0.050 . 2 . . . A 89 LYS HD2 . 17855 1 915 . 1 1 89 89 LYS HD3 H 1 1.388 0.050 . 2 . . . A 89 LYS HD3 . 17855 1 916 . 1 1 89 89 LYS HE3 H 1 2.822 0.050 . 2 . . . A 89 LYS HE3 . 17855 1 917 . 1 1 89 89 LYS C C 13 178.473 0.150 . 1 . . . A 89 LYS C . 17855 1 918 . 1 1 89 89 LYS CA C 13 60.611 0.014 . 1 . . . A 89 LYS CA . 17855 1 919 . 1 1 89 89 LYS CB C 13 31.982 0.035 . 1 . . . A 89 LYS CB . 17855 1 920 . 1 1 89 89 LYS CG C 13 24.511 0.016 . 1 . . . A 89 LYS CG . 17855 1 921 . 1 1 89 89 LYS CD C 13 29.204 0.150 . 1 . . . A 89 LYS CD . 17855 1 922 . 1 1 89 89 LYS CE C 13 41.938 0.150 . 1 . . . A 89 LYS CE . 17855 1 923 . 1 1 89 89 LYS N N 15 121.304 0.120 . 1 . . . A 89 LYS N . 17855 1 924 . 1 1 90 90 ALA H H 1 7.528 0.002 . 1 . . . A 90 ALA H . 17855 1 925 . 1 1 90 90 ALA HA H 1 4.166 0.001 . 1 . . . A 90 ALA HA . 17855 1 926 . 1 1 90 90 ALA HB1 H 1 1.443 0.001 . 1 . . . A 90 ALA HB1 . 17855 1 927 . 1 1 90 90 ALA HB2 H 1 1.443 0.001 . 1 . . . A 90 ALA HB2 . 17855 1 928 . 1 1 90 90 ALA HB3 H 1 1.443 0.001 . 1 . . . A 90 ALA HB3 . 17855 1 929 . 1 1 90 90 ALA C C 13 180.389 0.150 . 1 . . . A 90 ALA C . 17855 1 930 . 1 1 90 90 ALA CA C 13 54.920 0.150 . 1 . . . A 90 ALA CA . 17855 1 931 . 1 1 90 90 ALA CB C 13 17.890 0.150 . 1 . . . A 90 ALA CB . 17855 1 932 . 1 1 90 90 ALA N N 15 122.242 0.090 . 1 . . . A 90 ALA N . 17855 1 933 . 1 1 91 91 GLU H H 1 7.906 0.012 . 1 . . . A 91 GLU H . 17855 1 934 . 1 1 91 91 GLU HA H 1 3.991 0.017 . 1 . . . A 91 GLU HA . 17855 1 935 . 1 1 91 91 GLU HB2 H 1 2.007 0.014 . 2 . . . A 91 GLU HB2 . 17855 1 936 . 1 1 91 91 GLU HG2 H 1 2.718 0.050 . 2 . . . A 91 GLU HG2 . 17855 1 937 . 1 1 91 91 GLU HG3 H 1 2.411 0.007 . 2 . . . A 91 GLU HG3 . 17855 1 938 . 1 1 91 91 GLU C C 13 179.022 0.150 . 1 . . . A 91 GLU C . 17855 1 939 . 1 1 91 91 GLU CA C 13 58.940 0.150 . 1 . . . A 91 GLU CA . 17855 1 940 . 1 1 91 91 GLU CB C 13 29.290 0.010 . 1 . . . A 91 GLU CB . 17855 1 941 . 1 1 91 91 GLU CG C 13 36.590 0.002 . 1 . . . A 91 GLU CG . 17855 1 942 . 1 1 91 91 GLU N N 15 118.685 0.164 . 1 . . . A 91 GLU N . 17855 1 943 . 1 1 92 92 TYR H H 1 8.382 0.002 . 1 . . . A 92 TYR H . 17855 1 944 . 1 1 92 92 TYR HA H 1 4.150 0.016 . 1 . . . A 92 TYR HA . 17855 1 945 . 1 1 92 92 TYR HB3 H 1 2.985 0.001 . 2 . . . A 92 TYR HB3 . 17855 1 946 . 1 1 92 92 TYR HD1 H 1 7.118 0.050 . 3 . . . A 92 TYR HD1 . 17855 1 947 . 1 1 92 92 TYR HD2 H 1 7.118 0.050 . 3 . . . A 92 TYR HD2 . 17855 1 948 . 1 1 92 92 TYR HE1 H 1 6.789 0.050 . 3 . . . A 92 TYR HE1 . 17855 1 949 . 1 1 92 92 TYR HE2 H 1 6.789 0.050 . 3 . . . A 92 TYR HE2 . 17855 1 950 . 1 1 92 92 TYR C C 13 177.586 0.150 . 1 . . . A 92 TYR C . 17855 1 951 . 1 1 92 92 TYR CA C 13 60.370 0.150 . 1 . . . A 92 TYR CA . 17855 1 952 . 1 1 92 92 TYR CB C 13 38.611 0.007 . 1 . . . A 92 TYR CB . 17855 1 953 . 1 1 92 92 TYR N N 15 120.854 0.026 . 1 . . . A 92 TYR N . 17855 1 954 . 1 1 93 93 ALA H H 1 7.882 0.023 . 1 . . . A 93 ALA H . 17855 1 955 . 1 1 93 93 ALA HA H 1 3.925 0.050 . 1 . . . A 93 ALA HA . 17855 1 956 . 1 1 93 93 ALA HB1 H 1 1.426 0.003 . 1 . . . A 93 ALA HB1 . 17855 1 957 . 1 1 93 93 ALA HB2 H 1 1.426 0.003 . 1 . . . A 93 ALA HB2 . 17855 1 958 . 1 1 93 93 ALA HB3 H 1 1.426 0.003 . 1 . . . A 93 ALA HB3 . 17855 1 959 . 1 1 93 93 ALA C C 13 179.083 0.150 . 1 . . . A 93 ALA C . 17855 1 960 . 1 1 93 93 ALA CA C 13 54.350 0.150 . 1 . . . A 93 ALA CA . 17855 1 961 . 1 1 93 93 ALA CB C 13 18.094 0.150 . 1 . . . A 93 ALA CB . 17855 1 962 . 1 1 93 93 ALA N N 15 120.312 0.136 . 1 . . . A 93 ALA N . 17855 1 963 . 1 1 94 94 GLN H H 1 7.461 0.011 . 1 . . . A 94 GLN H . 17855 1 964 . 1 1 94 94 GLN HA H 1 4.150 0.002 . 1 . . . A 94 GLN HA . 17855 1 965 . 1 1 94 94 GLN HB2 H 1 2.136 0.002 . 2 . . . A 94 GLN HB2 . 17855 1 966 . 1 1 94 94 GLN HB3 H 1 2.047 0.050 . 2 . . . A 94 GLN HB3 . 17855 1 967 . 1 1 94 94 GLN HG2 H 1 2.311 0.050 . 2 . . . A 94 GLN HG2 . 17855 1 968 . 1 1 94 94 GLN HG3 H 1 2.455 0.008 . 2 . . . A 94 GLN HG3 . 17855 1 969 . 1 1 94 94 GLN HE21 H 1 7.388 0.001 . 2 . . . A 94 GLN HE21 . 17855 1 970 . 1 1 94 94 GLN HE22 H 1 6.794 0.008 . 2 . . . A 94 GLN HE22 . 17855 1 971 . 1 1 94 94 GLN C C 13 176.861 0.150 . 1 . . . A 94 GLN C . 17855 1 972 . 1 1 94 94 GLN CA C 13 56.680 0.150 . 1 . . . A 94 GLN CA . 17855 1 973 . 1 1 94 94 GLN CB C 13 28.861 0.004 . 1 . . . A 94 GLN CB . 17855 1 974 . 1 1 94 94 GLN CG C 13 33.410 0.150 . 1 . . . A 94 GLN CG . 17855 1 975 . 1 1 94 94 GLN CD C 13 180.306 0.150 . 1 . . . A 94 GLN CD . 17855 1 976 . 1 1 94 94 GLN N N 15 115.454 0.109 . 1 . . . A 94 GLN N . 17855 1 977 . 1 1 94 94 GLN NE2 N 15 111.879 0.131 . 1 . . . A 94 GLN NE2 . 17855 1 978 . 1 1 95 95 ARG H H 1 7.558 0.005 . 1 . . . A 95 ARG H . 17855 1 979 . 1 1 95 95 ARG HA H 1 4.086 0.011 . 1 . . . A 95 ARG HA . 17855 1 980 . 1 1 95 95 ARG HB3 H 1 1.746 0.001 . 2 . . . A 95 ARG HB3 . 17855 1 981 . 1 1 95 95 ARG HG2 H 1 1.528 0.009 . 2 . . . A 95 ARG HG2 . 17855 1 982 . 1 1 95 95 ARG HD3 H 1 3.105 0.002 . 2 . . . A 95 ARG HD3 . 17855 1 983 . 1 1 95 95 ARG C C 13 177.083 0.150 . 1 . . . A 95 ARG C . 17855 1 984 . 1 1 95 95 ARG CA C 13 57.415 0.039 . 1 . . . A 95 ARG CA . 17855 1 985 . 1 1 95 95 ARG CB C 13 30.230 0.150 . 1 . . . A 95 ARG CB . 17855 1 986 . 1 1 95 95 ARG CG C 13 26.990 0.001 . 1 . . . A 95 ARG CG . 17855 1 987 . 1 1 95 95 ARG CD C 13 43.439 0.001 . 1 . . . A 95 ARG CD . 17855 1 988 . 1 1 95 95 ARG N N 15 119.645 0.131 . 1 . . . A 95 ARG N . 17855 1 989 . 1 1 96 96 LYS H H 1 8.034 0.005 . 1 . . . A 96 LYS H . 17855 1 990 . 1 1 96 96 LYS HA H 1 4.204 0.018 . 1 . . . A 96 LYS HA . 17855 1 991 . 1 1 96 96 LYS HB2 H 1 1.765 0.005 . 2 . . . A 96 LYS HB2 . 17855 1 992 . 1 1 96 96 LYS HB3 H 1 1.685 0.001 . 2 . . . A 96 LYS HB3 . 17855 1 993 . 1 1 96 96 LYS HG2 H 1 1.338 0.010 . 2 . . . A 96 LYS HG2 . 17855 1 994 . 1 1 96 96 LYS HD2 H 1 1.589 0.004 . 2 . . . A 96 LYS HD2 . 17855 1 995 . 1 1 96 96 LYS HD3 H 1 1.532 0.009 . 2 . . . A 96 LYS HD3 . 17855 1 996 . 1 1 96 96 LYS HE2 H 1 3.014 0.050 . 2 . . . A 96 LYS HE2 . 17855 1 997 . 1 1 96 96 LYS HE3 H 1 2.951 0.050 . 2 . . . A 96 LYS HE3 . 17855 1 998 . 1 1 96 96 LYS C C 13 176.876 0.150 . 1 . . . A 96 LYS C . 17855 1 999 . 1 1 96 96 LYS CA C 13 56.921 0.004 . 1 . . . A 96 LYS CA . 17855 1 1000 . 1 1 96 96 LYS CB C 13 32.500 0.001 . 1 . . . A 96 LYS CB . 17855 1 1001 . 1 1 96 96 LYS CG C 13 24.511 0.005 . 1 . . . A 96 LYS CG . 17855 1 1002 . 1 1 96 96 LYS CD C 13 29.030 0.001 . 1 . . . A 96 LYS CD . 17855 1 1003 . 1 1 96 96 LYS CE C 13 42.240 0.150 . 1 . . . A 96 LYS CE . 17855 1 1004 . 1 1 96 96 LYS N N 15 120.741 0.124 . 1 . . . A 96 LYS N . 17855 1 1005 . 1 1 97 97 VAL H H 1 8.189 0.004 . 1 . . . A 97 VAL H . 17855 1 1006 . 1 1 97 97 VAL HA H 1 4.168 0.003 . 1 . . . A 97 VAL HA . 17855 1 1007 . 1 1 97 97 VAL HB H 1 1.927 0.050 . 1 . . . A 97 VAL HB . 17855 1 1008 . 1 1 97 97 VAL HG11 H 1 1.344 0.050 . 2 . . . A 97 VAL HG11 . 17855 1 1009 . 1 1 97 97 VAL HG12 H 1 1.344 0.050 . 2 . . . A 97 VAL HG12 . 17855 1 1010 . 1 1 97 97 VAL HG13 H 1 1.344 0.050 . 2 . . . A 97 VAL HG13 . 17855 1 1011 . 1 1 97 97 VAL HG21 H 1 1.287 0.050 . 2 . . . A 97 VAL HG21 . 17855 1 1012 . 1 1 97 97 VAL HG22 H 1 1.287 0.050 . 2 . . . A 97 VAL HG22 . 17855 1 1013 . 1 1 97 97 VAL HG23 H 1 1.287 0.050 . 2 . . . A 97 VAL HG23 . 17855 1 1014 . 1 1 97 97 VAL C C 13 175.985 0.150 . 1 . . . A 97 VAL C . 17855 1 1015 . 1 1 97 97 VAL CA C 13 56.421 0.015 . 1 . . . A 97 VAL CA . 17855 1 1016 . 1 1 97 97 VAL CB C 13 29.089 0.150 . 1 . . . A 97 VAL CB . 17855 1 1017 . 1 1 97 97 VAL CG1 C 13 24.877 0.017 . 2 . . . A 97 VAL CG1 . 17855 1 1018 . 1 1 97 97 VAL CG2 C 13 24.193 0.007 . 2 . . . A 97 VAL CG2 . 17855 1 1019 . 1 1 97 97 VAL N N 15 120.289 0.055 . 1 . . . A 97 VAL N . 17855 1 stop_ save_