data_18171 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18171 _Entry.Title ; Solution structure of atTic-hip/hop domain (Residue 310-371) ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-01-01 _Entry.Accession_date 2012-01-01 _Entry.Last_release_date . _Entry.Original_release_date . _Entry.Origination author _Entry.NMR_STAR_version 3.1.1.61 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype 'SOLUTION NMR' _Entry.Details . _Entry.BMRB_internal_directory_name . loop_ _Entry_author.Ordinal _Entry_author.Given_name _Entry_author.Family_name _Entry_author.First_initial _Entry_author.Middle_initials _Entry_author.Family_title _Entry_author.Entry_ID 1 Chinpan Chen . . . 18171 2 Yi-Fen Kao . . . 18171 stop_ loop_ _SG_project.SG_project_ID _SG_project.Project_name _SG_project.Full_name_of_center _SG_project.Initial_of_center _SG_project.Entry_ID 1 'not applicable' 'not applicable' . 18171 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID protein . 18171 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18171 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 262 18171 '15N chemical shifts' 67 18171 '1H chemical shifts' 425 18171 stop_ loop_ _Release.Release_number _Release.Format_type _Release.Format_version _Release.Date _Release.Submission_date _Release.Type _Release.Author _Release.Detail _Release.Entry_ID 2 . . 2013-02-13 2012-01-01 update BMRB 'update entry citation' 18171 1 . . 2012-09-14 2012-01-01 original author 'original release' 18171 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID PDB 2LNM 'BMRB Entry Tracking System' 18171 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18171 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 22888115 _Citation.Full_citation . _Citation.Title 'Solution structure of the C-terminal NP-repeat domain of Tic40, a co-chaperone during protein import into chloroplasts.' _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Biochem.' _Citation.Journal_name_full 'Journal of biochemistry' _Citation.Journal_volume 152 _Citation.Journal_issue 5 _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 443 _Citation.Page_last 451 _Citation.Year 2012 _Citation.Details . loop_ _Citation_author.Ordinal _Citation_author.Given_name _Citation_author.Family_name _Citation_author.First_initial _Citation_author.Middle_initials _Citation_author.Family_title _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Yi-Fen Kao . . . 18171 1 2 Yuan-Chao Lou . . . 18171 1 3 Yi-Hung Yeh . . . 18171 1 4 Chwan-Deng Hsiao . . . 18171 1 5 Chinpan Chen . . . 18171 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18171 _Assembly.ID 1 _Assembly.Name 'atTic-hip/hop domain (Residue 310-371)' _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 'atTic-hip/hop domain (Residue 310-371)' 1 $entity A . yes native no no . . . 18171 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18171 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; PEEVISKIMENPDVAMAFQN PRVQAALMECSENPMNIMKY QNDKEVMDVFNKISQLFPGM TG ; _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 62 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 7056.178 _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 2LNM . "Solution Structure Of The C-Terminal Np-Repeat Domain Of Tic40, A Co- Chaperone During Protein Import Into Chloroplasts" . . . . . 100.00 62 100.00 100.00 3.72e-36 . . . . 18171 1 2 no DBJ BAB10189 . "translocon Tic40-like protein [Arabidopsis thaliana]" . . . . . 100.00 447 100.00 100.00 5.18e-34 . . . . 18171 1 3 no EMBL CDX69438 . "BnaA10g17870D [Brassica napus]" . . . . . 100.00 457 100.00 100.00 2.87e-34 . . . . 18171 1 4 no EMBL CDX85495 . "BnaA02g03180D [Brassica napus]" . . . . . 100.00 450 98.39 100.00 8.60e-34 . . . . 18171 1 5 no EMBL CDY38098 . "BnaC02g06750D [Brassica napus]" . . . . . 100.00 450 98.39 100.00 9.50e-34 . . . . 18171 1 6 no GB AAL16131 . "AT5g16620/MTG13_6 [Arabidopsis thaliana]" . . . . . 100.00 447 100.00 100.00 5.18e-34 . . . . 18171 1 7 no GB AAM13009 . "translocon Tic40-like protein [Arabidopsis thaliana]" . . . . . 100.00 447 100.00 100.00 5.18e-34 . . . . 18171 1 8 no GB AAP31939 . "At5g16620 [Arabidopsis thaliana]" . . . . . 100.00 447 100.00 100.00 5.18e-34 . . . . 18171 1 9 no GB AED92318 . "hydroxyproline-rich glycoprotein family protein [Arabidopsis thaliana]" . . . . . 100.00 447 100.00 100.00 5.18e-34 . . . . 18171 1 10 no GB EFH47986 . "hypothetical protein ARALYDRAFT_488521 [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 447 100.00 100.00 4.93e-34 . . . . 18171 1 11 no REF NP_197165 . "protein TIC 40 [Arabidopsis thaliana]" . . . . . 100.00 447 100.00 100.00 5.18e-34 . . . . 18171 1 12 no REF XP_002871727 . "hypothetical protein ARALYDRAFT_488521 [Arabidopsis lyrata subsp. lyrata]" . . . . . 100.00 447 100.00 100.00 4.93e-34 . . . . 18171 1 13 no REF XP_006287761 . "hypothetical protein CARUB_v10000974mg [Capsella rubella]" . . . . . 100.00 441 100.00 100.00 6.53e-34 . . . . 18171 1 14 no REF XP_006287762 . "hypothetical protein CARUB_v10000974mg [Capsella rubella]" . . . . . 100.00 314 100.00 100.00 3.72e-34 . . . . 18171 1 15 no REF XP_006400200 . "hypothetical protein EUTSA_v10013528mg [Eutrema salsugineum]" . . . . . 100.00 449 100.00 100.00 4.99e-34 . . . . 18171 1 16 no SP Q9FMD5 . "RecName: Full=Protein TIC 40, chloroplastic; AltName: Full=Protein PIGMENT DEFECTIVE EMBRYO 120; AltName: Full=Translocon at th" . . . . . 100.00 447 100.00 100.00 5.18e-34 . . . . 18171 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 . PRO . 18171 1 2 . GLU . 18171 1 3 . GLU . 18171 1 4 . VAL . 18171 1 5 . ILE . 18171 1 6 . SER . 18171 1 7 . LYS . 18171 1 8 . ILE . 18171 1 9 . MET . 18171 1 10 . GLU . 18171 1 11 . ASN . 18171 1 12 . PRO . 18171 1 13 . ASP . 18171 1 14 . VAL . 18171 1 15 . ALA . 18171 1 16 . MET . 18171 1 17 . ALA . 18171 1 18 . PHE . 18171 1 19 . GLN . 18171 1 20 . ASN . 18171 1 21 . PRO . 18171 1 22 . ARG . 18171 1 23 . VAL . 18171 1 24 . GLN . 18171 1 25 . ALA . 18171 1 26 . ALA . 18171 1 27 . LEU . 18171 1 28 . MET . 18171 1 29 . GLU . 18171 1 30 . CYS . 18171 1 31 . SER . 18171 1 32 . GLU . 18171 1 33 . ASN . 18171 1 34 . PRO . 18171 1 35 . MET . 18171 1 36 . ASN . 18171 1 37 . ILE . 18171 1 38 . MET . 18171 1 39 . LYS . 18171 1 40 . TYR . 18171 1 41 . GLN . 18171 1 42 . ASN . 18171 1 43 . ASP . 18171 1 44 . LYS . 18171 1 45 . GLU . 18171 1 46 . VAL . 18171 1 47 . MET . 18171 1 48 . ASP . 18171 1 49 . VAL . 18171 1 50 . PHE . 18171 1 51 . ASN . 18171 1 52 . LYS . 18171 1 53 . ILE . 18171 1 54 . SER . 18171 1 55 . GLN . 18171 1 56 . LEU . 18171 1 57 . PHE . 18171 1 58 . PRO . 18171 1 59 . GLY . 18171 1 60 . MET . 18171 1 61 . THR . 18171 1 62 . GLY . 18171 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 . PRO 1 1 18171 1 . GLU 2 2 18171 1 . GLU 3 3 18171 1 . VAL 4 4 18171 1 . ILE 5 5 18171 1 . SER 6 6 18171 1 . LYS 7 7 18171 1 . ILE 8 8 18171 1 . MET 9 9 18171 1 . GLU 10 10 18171 1 . ASN 11 11 18171 1 . PRO 12 12 18171 1 . ASP 13 13 18171 1 . VAL 14 14 18171 1 . ALA 15 15 18171 1 . MET 16 16 18171 1 . ALA 17 17 18171 1 . PHE 18 18 18171 1 . GLN 19 19 18171 1 . ASN 20 20 18171 1 . PRO 21 21 18171 1 . ARG 22 22 18171 1 . VAL 23 23 18171 1 . GLN 24 24 18171 1 . ALA 25 25 18171 1 . ALA 26 26 18171 1 . LEU 27 27 18171 1 . MET 28 28 18171 1 . GLU 29 29 18171 1 . CYS 30 30 18171 1 . SER 31 31 18171 1 . GLU 32 32 18171 1 . ASN 33 33 18171 1 . PRO 34 34 18171 1 . MET 35 35 18171 1 . ASN 36 36 18171 1 . ILE 37 37 18171 1 . MET 38 38 18171 1 . LYS 39 39 18171 1 . TYR 40 40 18171 1 . GLN 41 41 18171 1 . ASN 42 42 18171 1 . ASP 43 43 18171 1 . LYS 44 44 18171 1 . GLU 45 45 18171 1 . VAL 46 46 18171 1 . MET 47 47 18171 1 . ASP 48 48 18171 1 . VAL 49 49 18171 1 . PHE 50 50 18171 1 . ASN 51 51 18171 1 . LYS 52 52 18171 1 . ILE 53 53 18171 1 . SER 54 54 18171 1 . GLN 55 55 18171 1 . LEU 56 56 18171 1 . PHE 57 57 18171 1 . PRO 58 58 18171 1 . GLY 59 59 18171 1 . MET 60 60 18171 1 . THR 61 61 18171 1 . GLY 62 62 18171 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 18171 _Entity_natural_src_list.ID 1 loop_ _Entity_natural_src.ID _Entity_natural_src.Entity_ID _Entity_natural_src.Entity_label _Entity_natural_src.Entity_chimera_segment_ID _Entity_natural_src.NCBI_taxonomy_ID _Entity_natural_src.Type _Entity_natural_src.Common _Entity_natural_src.Organism_name_scientific _Entity_natural_src.Organism_name_common _Entity_natural_src.Organism_acronym _Entity_natural_src.ICTVdb_decimal_code _Entity_natural_src.Superkingdom _Entity_natural_src.Kingdom _Entity_natural_src.Genus _Entity_natural_src.Species _Entity_natural_src.Strain _Entity_natural_src.Variant _Entity_natural_src.Subvariant _Entity_natural_src.Organ _Entity_natural_src.Tissue _Entity_natural_src.Tissue_fraction _Entity_natural_src.Cell_line _Entity_natural_src.Cell_type _Entity_natural_src.ATCC_number _Entity_natural_src.Organelle _Entity_natural_src.Cellular_location _Entity_natural_src.Fragment _Entity_natural_src.Fraction _Entity_natural_src.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Plasmid_details _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Dev_stage _Entity_natural_src.Details _Entity_natural_src.Citation_ID _Entity_natural_src.Citation_label _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $entity . 3702 organism . 'Arabidopsis thaliana' 'Thale cress' . . Eukaryota Viridiplantae Arabidopsis thaliana . . . . . . . . . . . . . . . . tic40 . . . . 18171 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 18171 _Entity_experimental_src_list.ID 1 loop_ _Entity_experimental_src.ID _Entity_experimental_src.Entity_ID _Entity_experimental_src.Entity_label _Entity_experimental_src.Entity_chimera_segment_ID _Entity_experimental_src.Production_method _Entity_experimental_src.Host_org_scientific_name _Entity_experimental_src.Host_org_name_common _Entity_experimental_src.Host_org_details _Entity_experimental_src.Host_org_NCBI_taxonomy_ID _Entity_experimental_src.Host_org_genus _Entity_experimental_src.Host_org_species _Entity_experimental_src.Host_org_strain _Entity_experimental_src.Host_org_variant _Entity_experimental_src.Host_org_subvariant _Entity_experimental_src.Host_org_organ _Entity_experimental_src.Host_org_tissue _Entity_experimental_src.Host_org_tissue_fraction _Entity_experimental_src.Host_org_cell_line _Entity_experimental_src.Host_org_cell_type _Entity_experimental_src.Host_org_cellular_location _Entity_experimental_src.Host_org_organelle _Entity_experimental_src.Host_org_gene _Entity_experimental_src.Host_org_culture_collection _Entity_experimental_src.Host_org_ATCC_number _Entity_experimental_src.Vector_type _Entity_experimental_src.PDBview_host_org_vector_name _Entity_experimental_src.PDBview_plasmid_name _Entity_experimental_src.Vector_name _Entity_experimental_src.Vector_details _Entity_experimental_src.Vendor_name _Entity_experimental_src.Host_org_dev_stage _Entity_experimental_src.Details _Entity_experimental_src.Citation_ID _Entity_experimental_src.Citation_label _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli BL21(DE3) . . . . . . . . . . . . . . . pET15b . . . ; cutting sites: NdeI and XhoI ; . . 18171 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_Tic40-Hip-Hop _Sample.Sf_category sample _Sample.Sf_framecode Tic40-Hip-Hop _Sample.Entry_ID 18171 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '10% TFE was added to stable the structure' _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 'potassium phosphate' 'natural abundance' . . . . . . 20 . . mM . . . . 18171 1 2 'sodium citrate' 'natural abundance' . . . . . . 20 . . mM . . . . 18171 1 3 'sodium chloride' 'natural abundance' . . . . . . 100 . . mM . . . . 18171 1 4 TFE '[U-99% 2H]' . . 1 $entity . . 10 . . % . . . . 18171 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 18171 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 18171 1 stop_ save_ ####################### # Sample conditions # ####################### save_Tic40-Hip-Hop_NMR_sample _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode Tic40-Hip-Hop_NMR_sample _Sample_condition_list.Entry_ID 18171 _Sample_condition_list.ID 1 _Sample_condition_list.Details . loop_ _Sample_condition_variable.Type _Sample_condition_variable.Val _Sample_condition_variable.Val_err _Sample_condition_variable.Val_units _Sample_condition_variable.Entry_ID _Sample_condition_variable.Sample_condition_list_ID 'ionic strength' 140 . mM 18171 1 pH 5.56 . pH 18171 1 pressure 1 . atm 18171 1 temperature 310 . K 18171 1 stop_ save_ ############################ # Computer software used # ############################ save_X-PLOR_NIH _Software.Sf_category software _Software.Sf_framecode X-PLOR_NIH _Software.Entry_ID 18171 _Software.ID 1 _Software.Name 'X-PLOR NIH' _Software.Version 2.18 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Schwieters, Kuszewski, Tjandra and Clore' . . 18171 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 18171 1 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 18171 _Software.ID 2 _Software.Name NMRView _Software.Version 5 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 18171 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18171 2 'peak picking' 18171 2 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 18171 _Software.ID 3 _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' . . 18171 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID processing 18171 3 stop_ save_ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 18171 _Software.ID 4 _Software.Name TALOS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Cornilescu, Delaglio and Bax' . . 18171 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18171 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 18171 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 600 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 18171 _NMR_spectrometer_list.ID 1 loop_ _NMR_spectrometer_view.ID _NMR_spectrometer_view.Name _NMR_spectrometer_view.Manufacturer _NMR_spectrometer_view.Model _NMR_spectrometer_view.Serial_number _NMR_spectrometer_view.Field_strength _NMR_spectrometer_view.Details _NMR_spectrometer_view.Citation_ID _NMR_spectrometer_view.Citation_label _NMR_spectrometer_view.Entry_ID _NMR_spectrometer_view.NMR_spectrometer_list_ID 1 spectrometer_1 Bruker Avance . 600 . . . 18171 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 18171 _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 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 4 '3D HNCACB' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 5 '3D HNCO' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 6 '3D HN(CA)CO' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 7 '3D HNCA' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 8 '3D HN(CO)CA' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 9 '3D HCCH-TOCSY' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 10 '3D CCCONH' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 11 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 12 '3D 1H-15N TOCSY' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 13 '3D 1H-13C NOESY' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 1 14 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $Tic40-Hip-Hop isotropic . . 1 $Tic40-Hip-Hop_NMR_sample . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 18171 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 18171 _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 . . . . . . . . . 18171 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . . . . . 18171 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . . . . . 18171 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 18171 _Assigned_chem_shift_list.ID 1 _Assigned_chem_shift_list.Sample_condition_list_ID 1 _Assigned_chem_shift_list.Sample_condition_list_label $Tic40-Hip-Hop_NMR_sample _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' . . . 18171 1 4 '3D HNCACB' . . . 18171 1 5 '3D HNCO' . . . 18171 1 9 '3D HCCH-TOCSY' . . . 18171 1 10 '3D CCCONH' . . . 18171 1 11 '3D 1H-15N NOESY' . . . 18171 1 14 '2D 1H-1H NOESY' . . . 18171 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 PRO HA H 1 4.089 0.02 . 1 . . . . 1 PRO HA . 18171 1 2 . 1 1 1 1 PRO HB2 H 1 2.246 0.02 . 2 . . . . 1 PRO HB2 . 18171 1 3 . 1 1 1 1 PRO HB3 H 1 1.884 0.02 . 2 . . . . 1 PRO HB3 . 18171 1 4 . 1 1 1 1 PRO HG2 H 1 2.2 0.02 . 2 . . . . 1 PRO HG2 . 18171 1 5 . 1 1 1 1 PRO HG3 H 1 1.946 0.02 . 2 . . . . 1 PRO HG3 . 18171 1 6 . 1 1 1 1 PRO HD2 H 1 3.883 0.02 . 2 . . . . 1 PRO HD2 . 18171 1 7 . 1 1 1 1 PRO HD3 H 1 3.841 0.02 . 2 . . . . 1 PRO HD3 . 18171 1 8 . 1 1 1 1 PRO C C 13 177.927 0.2 . 1 . . . . 1 PRO C . 18171 1 9 . 1 1 1 1 PRO CA C 13 65.669 0.2 . 1 . . . . 1 PRO CA . 18171 1 10 . 1 1 1 1 PRO CB C 13 31.39 0.2 . 1 . . . . 1 PRO CB . 18171 1 11 . 1 1 1 1 PRO CG C 13 27.683 0.2 . 1 . . . . 1 PRO CG . 18171 1 12 . 1 1 1 1 PRO CD C 13 50.08 0.2 . 1 . . . . 1 PRO CD . 18171 1 13 . 1 1 2 2 GLU H H 1 8.756 0.02 . 1 . . . . 2 GLU HN . 18171 1 14 . 1 1 2 2 GLU HA H 1 3.86 0.02 . 1 . . . . 2 GLU HA . 18171 1 15 . 1 1 2 2 GLU HB2 H 1 2.023 0.02 . 2 . . . . 2 GLU HB2 . 18171 1 16 . 1 1 2 2 GLU HB3 H 1 1.904 0.02 . 2 . . . . 2 GLU HB3 . 18171 1 17 . 1 1 2 2 GLU HG2 H 1 2.377 0.02 . 2 . . . . 2 GLU HG2 . 18171 1 18 . 1 1 2 2 GLU HG3 H 1 2.201 0.02 . 2 . . . . 2 GLU HG3 . 18171 1 19 . 1 1 2 2 GLU C C 13 179.259 0.2 . 1 . . . . 2 GLU C . 18171 1 20 . 1 1 2 2 GLU CA C 13 60.36 0.2 . 1 . . . . 2 GLU CA . 18171 1 21 . 1 1 2 2 GLU CB C 13 28.726 0.2 . 1 . . . . 2 GLU CB . 18171 1 22 . 1 1 2 2 GLU CG C 13 36.703 0.2 . 1 . . . . 2 GLU CG . 18171 1 23 . 1 1 2 2 GLU N N 15 115.081 0.1 . 1 . . . . 2 GLU N . 18171 1 24 . 1 1 3 3 GLU H H 1 7.722 0.02 . 1 . . . . 3 GLU HN . 18171 1 25 . 1 1 3 3 GLU HA H 1 4.016 0.02 . 1 . . . . 3 GLU HA . 18171 1 26 . 1 1 3 3 GLU HB2 H 1 2.009 0.02 . 2 . . . . 3 GLU HB2 . 18171 1 27 . 1 1 3 3 GLU HB3 H 1 2.009 0.02 . 2 . . . . 3 GLU HB3 . 18171 1 28 . 1 1 3 3 GLU HG2 H 1 2.27 0.02 . 2 . . . . 3 GLU HG2 . 18171 1 29 . 1 1 3 3 GLU HG3 H 1 2.328 0.02 . 2 . . . . 3 GLU HG3 . 18171 1 30 . 1 1 3 3 GLU C C 13 178.863 0.2 . 1 . . . . 3 GLU C . 18171 1 31 . 1 1 3 3 GLU CA C 13 59.006 0.2 . 1 . . . . 3 GLU CA . 18171 1 32 . 1 1 3 3 GLU CB C 13 30.365 0.2 . 1 . . . . 3 GLU CB . 18171 1 33 . 1 1 3 3 GLU CG C 13 37.227 0.2 . 1 . . . . 3 GLU CG . 18171 1 34 . 1 1 3 3 GLU N N 15 120.051 0.1 . 1 . . . . 3 GLU N . 18171 1 35 . 1 1 4 4 VAL H H 1 7.815 0.02 . 1 . . . . 4 VAL HN . 18171 1 36 . 1 1 4 4 VAL HA H 1 3.509 0.02 . 1 . . . . 4 VAL HA . 18171 1 37 . 1 1 4 4 VAL HB H 1 2.109 0.02 . 1 . . . . 4 VAL HB . 18171 1 38 . 1 1 4 4 VAL HG11 H 1 0.694 0.02 . 2 . . . . 4 VAL MG1 . 18171 1 39 . 1 1 4 4 VAL HG12 H 1 0.694 0.02 . 2 . . . . 4 VAL MG1 . 18171 1 40 . 1 1 4 4 VAL HG13 H 1 0.694 0.02 . 2 . . . . 4 VAL MG1 . 18171 1 41 . 1 1 4 4 VAL HG21 H 1 0.789 0.02 . 2 . . . . 4 VAL MG2 . 18171 1 42 . 1 1 4 4 VAL HG22 H 1 0.789 0.02 . 2 . . . . 4 VAL MG2 . 18171 1 43 . 1 1 4 4 VAL HG23 H 1 0.789 0.02 . 2 . . . . 4 VAL MG2 . 18171 1 44 . 1 1 4 4 VAL C C 13 177.687 0.2 . 1 . . . . 4 VAL C . 18171 1 45 . 1 1 4 4 VAL CA C 13 66.667 0.2 . 1 . . . . 4 VAL CA . 18171 1 46 . 1 1 4 4 VAL CB C 13 31.541 0.2 . 1 . . . . 4 VAL CB . 18171 1 47 . 1 1 4 4 VAL CG1 C 13 20.613 0.2 . 2 . . . . 4 VAL CG1 . 18171 1 48 . 1 1 4 4 VAL CG2 C 13 22.77 0.2 . 2 . . . . 4 VAL CG2 . 18171 1 49 . 1 1 4 4 VAL N N 15 120.223 0.1 . 1 . . . . 4 VAL N . 18171 1 50 . 1 1 5 5 ILE H H 1 8.293 0.02 . 1 . . . . 5 ILE HN . 18171 1 51 . 1 1 5 5 ILE HA H 1 3.5 0.02 . 1 . . . . 5 ILE HA . 18171 1 52 . 1 1 5 5 ILE HB H 1 1.805 0.02 . 1 . . . . 5 ILE HB . 18171 1 53 . 1 1 5 5 ILE HG12 H 1 1.556 0.02 . 2 . . . . 5 ILE HG12 . 18171 1 54 . 1 1 5 5 ILE HG13 H 1 1.112 0.02 . 2 . . . . 5 ILE HG13 . 18171 1 55 . 1 1 5 5 ILE HG21 H 1 0.787 0.02 . 1 . . . . 5 ILE MG . 18171 1 56 . 1 1 5 5 ILE HG22 H 1 0.787 0.02 . 1 . . . . 5 ILE MG . 18171 1 57 . 1 1 5 5 ILE HG23 H 1 0.787 0.02 . 1 . . . . 5 ILE MG . 18171 1 58 . 1 1 5 5 ILE HD11 H 1 0.713 0.02 . 1 . . . . 5 ILE MD . 18171 1 59 . 1 1 5 5 ILE HD12 H 1 0.713 0.02 . 1 . . . . 5 ILE MD . 18171 1 60 . 1 1 5 5 ILE HD13 H 1 0.713 0.02 . 1 . . . . 5 ILE MD . 18171 1 61 . 1 1 5 5 ILE C C 13 177.638 0.2 . 1 . . . . 5 ILE C . 18171 1 62 . 1 1 5 5 ILE CA C 13 64.361 0.2 . 1 . . . . 5 ILE CA . 18171 1 63 . 1 1 5 5 ILE CB C 13 37.136 0.2 . 1 . . . . 5 ILE CB . 18171 1 64 . 1 1 5 5 ILE CG1 C 13 28.898 0.2 . 1 . . . . 5 ILE CG1 . 18171 1 65 . 1 1 5 5 ILE CG2 C 13 17.307 0.2 . 1 . . . . 5 ILE CG2 . 18171 1 66 . 1 1 5 5 ILE CD1 C 13 11.727 0.2 . 1 . . . . 5 ILE CD1 . 18171 1 67 . 1 1 5 5 ILE N N 15 118.475 0.1 . 1 . . . . 5 ILE N . 18171 1 68 . 1 1 6 6 SER H H 1 7.74 0.02 . 1 . . . . 6 SER HN . 18171 1 69 . 1 1 6 6 SER HA H 1 4.034 0.02 . 1 . . . . 6 SER HA . 18171 1 70 . 1 1 6 6 SER HB2 H 1 3.934 0.02 . 2 . . . . 6 SER HB2 . 18171 1 71 . 1 1 6 6 SER HB3 H 1 3.934 0.02 . 2 . . . . 6 SER HB3 . 18171 1 72 . 1 1 6 6 SER C C 13 176.398 0.2 . 1 . . . . 6 SER C . 18171 1 73 . 1 1 6 6 SER CA C 13 61.781 0.2 . 1 . . . . 6 SER CA . 18171 1 74 . 1 1 6 6 SER CB C 13 62.77 0.2 . 1 . . . . 6 SER CB . 18171 1 75 . 1 1 6 6 SER N N 15 113.327 0.1 . 1 . . . . 6 SER N . 18171 1 76 . 1 1 7 7 LYS H H 1 7.523 0.02 . 1 . . . . 7 LYS HN . 18171 1 77 . 1 1 7 7 LYS HA H 1 4.143 0.02 . 1 . . . . 7 LYS HA . 18171 1 78 . 1 1 7 7 LYS HB2 H 1 2.006 0.02 . 2 . . . . 7 LYS HB2 . 18171 1 79 . 1 1 7 7 LYS HB3 H 1 1.854 0.02 . 2 . . . . 7 LYS HB3 . 18171 1 80 . 1 1 7 7 LYS HG2 H 1 1.456 0.02 . 2 . . . . 7 LYS HG2 . 18171 1 81 . 1 1 7 7 LYS HG3 H 1 1.456 0.02 . 2 . . . . 7 LYS HG3 . 18171 1 82 . 1 1 7 7 LYS HD2 H 1 1.595 0.02 . 2 . . . . 7 LYS HD2 . 18171 1 83 . 1 1 7 7 LYS HD3 H 1 1.595 0.02 . 2 . . . . 7 LYS HD3 . 18171 1 84 . 1 1 7 7 LYS HE2 H 1 2.882 0.02 . 2 . . . . 7 LYS HE2 . 18171 1 85 . 1 1 7 7 LYS HE3 H 1 2.882 0.02 . 2 . . . . 7 LYS HE3 . 18171 1 86 . 1 1 7 7 LYS C C 13 179.622 0.2 . 1 . . . . 7 LYS C . 18171 1 87 . 1 1 7 7 LYS CA C 13 58.006 0.2 . 1 . . . . 7 LYS CA . 18171 1 88 . 1 1 7 7 LYS CB C 13 31.742 0.2 . 1 . . . . 7 LYS CB . 18171 1 89 . 1 1 7 7 LYS CG C 13 24.567 0.2 . 1 . . . . 7 LYS CG . 18171 1 90 . 1 1 7 7 LYS CD C 13 27.975 0.2 . 1 . . . . 7 LYS CD . 18171 1 91 . 1 1 7 7 LYS CE C 13 41.887 0.2 . 1 . . . . 7 LYS CE . 18171 1 92 . 1 1 7 7 LYS N N 15 119.755 0.1 . 1 . . . . 7 LYS N . 18171 1 93 . 1 1 8 8 ILE H H 1 8.132 0.02 . 1 . . . . 8 ILE HN . 18171 1 94 . 1 1 8 8 ILE HA H 1 3.643 0.02 . 1 . . . . 8 ILE HA . 18171 1 95 . 1 1 8 8 ILE HB H 1 1.862 0.02 . 1 . . . . 8 ILE HB . 18171 1 96 . 1 1 8 8 ILE HG12 H 1 1.582 0.02 . 2 . . . . 8 ILE HG12 . 18171 1 97 . 1 1 8 8 ILE HG13 H 1 0.989 0.02 . 2 . . . . 8 ILE HG13 . 18171 1 98 . 1 1 8 8 ILE HG21 H 1 0.637 0.02 . 1 . . . . 8 ILE MG . 18171 1 99 . 1 1 8 8 ILE HG22 H 1 0.637 0.02 . 1 . . . . 8 ILE MG . 18171 1 100 . 1 1 8 8 ILE HG23 H 1 0.637 0.02 . 1 . . . . 8 ILE MG . 18171 1 101 . 1 1 8 8 ILE HD11 H 1 0.487 0.02 . 1 . . . . 8 ILE MD . 18171 1 102 . 1 1 8 8 ILE HD12 H 1 0.487 0.02 . 1 . . . . 8 ILE MD . 18171 1 103 . 1 1 8 8 ILE HD13 H 1 0.487 0.02 . 1 . . . . 8 ILE MD . 18171 1 104 . 1 1 8 8 ILE C C 13 177.51 0.2 . 1 . . . . 8 ILE C . 18171 1 105 . 1 1 8 8 ILE CA C 13 65.18 0.2 . 1 . . . . 8 ILE CA . 18171 1 106 . 1 1 8 8 ILE CB C 13 37.461 0.2 . 1 . . . . 8 ILE CB . 18171 1 107 . 1 1 8 8 ILE CG1 C 13 28.256 0.2 . 1 . . . . 8 ILE CG1 . 18171 1 108 . 1 1 8 8 ILE CG2 C 13 17.001 0.2 . 1 . . . . 8 ILE CG2 . 18171 1 109 . 1 1 8 8 ILE CD1 C 13 13.4 0.2 . 1 . . . . 8 ILE CD1 . 18171 1 110 . 1 1 8 8 ILE N N 15 119.544 0.1 . 1 . . . . 8 ILE N . 18171 1 111 . 1 1 9 9 MET H H 1 7.835 0.02 . 1 . . . . 9 MET HN . 18171 1 112 . 1 1 9 9 MET HA H 1 4.104 0.02 . 1 . . . . 9 MET HA . 18171 1 113 . 1 1 9 9 MET HB2 H 1 2.049 0.02 . 2 . . . . 9 MET HB2 . 18171 1 114 . 1 1 9 9 MET HB3 H 1 2.049 0.02 . 2 . . . . 9 MET HB3 . 18171 1 115 . 1 1 9 9 MET HG2 H 1 2.631 0.02 . 2 . . . . 9 MET HG2 . 18171 1 116 . 1 1 9 9 MET HG3 H 1 2.476 0.02 . 2 . . . . 9 MET HG3 . 18171 1 117 . 1 1 9 9 MET C C 13 177.018 0.2 . 1 . . . . 9 MET C . 18171 1 118 . 1 1 9 9 MET CA C 13 56.601 0.2 . 1 . . . . 9 MET CA . 18171 1 119 . 1 1 9 9 MET CB C 13 31.479 0.2 . 1 . . . . 9 MET CB . 18171 1 120 . 1 1 9 9 MET CG C 13 32.524 0.2 . 1 . . . . 9 MET CG . 18171 1 121 . 1 1 9 9 MET N N 15 114.616 0.1 . 1 . . . . 9 MET N . 18171 1 122 . 1 1 10 10 GLU H H 1 7.318 0.02 . 1 . . . . 10 GLU HN . 18171 1 123 . 1 1 10 10 GLU HA H 1 4.152 0.02 . 1 . . . . 10 GLU HA . 18171 1 124 . 1 1 10 10 GLU HB2 H 1 2.102 0.02 . 2 . . . . 10 GLU HB2 . 18171 1 125 . 1 1 10 10 GLU HB3 H 1 2.102 0.02 . 2 . . . . 10 GLU HB3 . 18171 1 126 . 1 1 10 10 GLU HG2 H 1 2.532 0.02 . 2 . . . . 10 GLU HG2 . 18171 1 127 . 1 1 10 10 GLU HG3 H 1 2.299 0.02 . 2 . . . . 10 GLU HG3 . 18171 1 128 . 1 1 10 10 GLU C C 13 176.263 0.2 . 1 . . . . 10 GLU C . 18171 1 129 . 1 1 10 10 GLU CA C 13 57.083 0.2 . 1 . . . . 10 GLU CA . 18171 1 130 . 1 1 10 10 GLU CB C 13 30.01 0.2 . 1 . . . . 10 GLU CB . 18171 1 131 . 1 1 10 10 GLU CG C 13 36.134 0.2 . 1 . . . . 10 GLU CG . 18171 1 132 . 1 1 10 10 GLU N N 15 116.206 0.1 . 1 . . . . 10 GLU N . 18171 1 133 . 1 1 11 11 ASN H H 1 7.707 0.02 . 1 . . . . 11 ASN HN . 18171 1 134 . 1 1 11 11 ASN HA H 1 5.141 0.02 . 1 . . . . 11 ASN HA . 18171 1 135 . 1 1 11 11 ASN HB2 H 1 2.941 0.02 . 2 . . . . 11 ASN HB2 . 18171 1 136 . 1 1 11 11 ASN HB3 H 1 2.752 0.02 . 2 . . . . 11 ASN HB3 . 18171 1 137 . 1 1 11 11 ASN HD21 H 1 7.639 0.02 . 2 . . . . 11 ASN HD21 . 18171 1 138 . 1 1 11 11 ASN HD22 H 1 7.25 0.02 . 2 . . . . 11 ASN HD22 . 18171 1 139 . 1 1 11 11 ASN C C 13 173.093 0.2 . 1 . . . . 11 ASN C . 18171 1 140 . 1 1 11 11 ASN CA C 13 50.709 0.2 . 1 . . . . 11 ASN CA . 18171 1 141 . 1 1 11 11 ASN CB C 13 40.1 0.2 . 1 . . . . 11 ASN CB . 18171 1 142 . 1 1 11 11 ASN N N 15 119.007 0.1 . 1 . . . . 11 ASN N . 18171 1 143 . 1 1 11 11 ASN ND2 N 15 113.726 0.1 . 1 . . . . 11 ASN ND2 . 18171 1 144 . 1 1 12 12 PRO HA H 1 4.283 0.02 . 1 . . . . 12 PRO HA . 18171 1 145 . 1 1 12 12 PRO HB2 H 1 2.37 0.02 . 2 . . . . 12 PRO HB2 . 18171 1 146 . 1 1 12 12 PRO HB3 H 1 2.002 0.02 . 2 . . . . 12 PRO HB3 . 18171 1 147 . 1 1 12 12 PRO HG2 H 1 2.058 0.02 . 2 . . . . 12 PRO HG2 . 18171 1 148 . 1 1 12 12 PRO HG3 H 1 2.058 0.02 . 2 . . . . 12 PRO HG3 . 18171 1 149 . 1 1 12 12 PRO HD2 H 1 3.945 0.02 . 2 . . . . 12 PRO HD2 . 18171 1 150 . 1 1 12 12 PRO HD3 H 1 3.871 0.02 . 2 . . . . 12 PRO HD3 . 18171 1 151 . 1 1 12 12 PRO C C 13 177.932 0.2 . 1 . . . . 12 PRO C . 18171 1 152 . 1 1 12 12 PRO CA C 13 65.228 0.2 . 1 . . . . 12 PRO CA . 18171 1 153 . 1 1 12 12 PRO CB C 13 32.008 0.2 . 1 . . . . 12 PRO CB . 18171 1 154 . 1 1 12 12 PRO CG C 13 27.131 0.2 . 1 . . . . 12 PRO CG . 18171 1 155 . 1 1 12 12 PRO CD C 13 50.898 0.2 . 1 . . . . 12 PRO CD . 18171 1 156 . 1 1 13 13 ASP H H 1 8.218 0.02 . 1 . . . . 13 ASP HN . 18171 1 157 . 1 1 13 13 ASP HA H 1 4.425 0.02 . 1 . . . . 13 ASP HA . 18171 1 158 . 1 1 13 13 ASP HB2 H 1 2.665 0.02 . 2 . . . . 13 ASP HB2 . 18171 1 159 . 1 1 13 13 ASP HB3 H 1 2.665 0.02 . 2 . . . . 13 ASP HB3 . 18171 1 160 . 1 1 13 13 ASP C C 13 178.456 0.2 . 1 . . . . 13 ASP C . 18171 1 161 . 1 1 13 13 ASP CA C 13 56.809 0.2 . 1 . . . . 13 ASP CA . 18171 1 162 . 1 1 13 13 ASP CB C 13 39.939 0.2 . 1 . . . . 13 ASP CB . 18171 1 163 . 1 1 13 13 ASP N N 15 116.41 0.1 . 1 . . . . 13 ASP N . 18171 1 164 . 1 1 14 14 VAL H H 1 7.722 0.02 . 1 . . . . 14 VAL HN . 18171 1 165 . 1 1 14 14 VAL HA H 1 3.782 0.02 . 1 . . . . 14 VAL HA . 18171 1 166 . 1 1 14 14 VAL HB H 1 2.231 0.02 . 1 . . . . 14 VAL HB . 18171 1 167 . 1 1 14 14 VAL HG11 H 1 0.862 0.02 . 2 . . . . 14 VAL MG1 . 18171 1 168 . 1 1 14 14 VAL HG12 H 1 0.862 0.02 . 2 . . . . 14 VAL MG1 . 18171 1 169 . 1 1 14 14 VAL HG13 H 1 0.862 0.02 . 2 . . . . 14 VAL MG1 . 18171 1 170 . 1 1 14 14 VAL HG21 H 1 0.935 0.02 . 2 . . . . 14 VAL MG2 . 18171 1 171 . 1 1 14 14 VAL HG22 H 1 0.935 0.02 . 2 . . . . 14 VAL MG2 . 18171 1 172 . 1 1 14 14 VAL HG23 H 1 0.935 0.02 . 2 . . . . 14 VAL MG2 . 18171 1 173 . 1 1 14 14 VAL C C 13 177.045 0.2 . 1 . . . . 14 VAL C . 18171 1 174 . 1 1 14 14 VAL CA C 13 64.35 0.2 . 1 . . . . 14 VAL CA . 18171 1 175 . 1 1 14 14 VAL CB C 13 31.761 0.2 . 1 . . . . 14 VAL CB . 18171 1 176 . 1 1 14 14 VAL CG1 C 13 22.215 0.2 . 2 . . . . 14 VAL CG1 . 18171 1 177 . 1 1 14 14 VAL CG2 C 13 22.215 0.2 . 2 . . . . 14 VAL CG2 . 18171 1 178 . 1 1 14 14 VAL N N 15 120.053 0.1 . 1 . . . . 14 VAL N . 18171 1 179 . 1 1 15 15 ALA H H 1 8.245 0.02 . 1 . . . . 15 ALA HN . 18171 1 180 . 1 1 15 15 ALA HA H 1 3.922 0.02 . 1 . . . . 15 ALA HA . 18171 1 181 . 1 1 15 15 ALA HB1 H 1 1.47 0.02 . 1 . . . . 15 ALA MB . 18171 1 182 . 1 1 15 15 ALA HB2 H 1 1.47 0.02 . 1 . . . . 15 ALA MB . 18171 1 183 . 1 1 15 15 ALA HB3 H 1 1.47 0.02 . 1 . . . . 15 ALA MB . 18171 1 184 . 1 1 15 15 ALA C C 13 180.315 0.2 . 1 . . . . 15 ALA C . 18171 1 185 . 1 1 15 15 ALA CA C 13 55.654 0.2 . 1 . . . . 15 ALA CA . 18171 1 186 . 1 1 15 15 ALA CB C 13 18.177 0.2 . 1 . . . . 15 ALA CB . 18171 1 187 . 1 1 15 15 ALA N N 15 121.814 0.1 . 1 . . . . 15 ALA N . 18171 1 188 . 1 1 16 16 MET H H 1 7.878 0.02 . 1 . . . . 16 MET HN . 18171 1 189 . 1 1 16 16 MET HA H 1 4.234 0.02 . 1 . . . . 16 MET HA . 18171 1 190 . 1 1 16 16 MET HB2 H 1 2.162 0.02 . 2 . . . . 16 MET HB2 . 18171 1 191 . 1 1 16 16 MET HB3 H 1 2.162 0.02 . 2 . . . . 16 MET HB3 . 18171 1 192 . 1 1 16 16 MET HG2 H 1 2.668 0.02 . 2 . . . . 16 MET HG2 . 18171 1 193 . 1 1 16 16 MET HG3 H 1 2.668 0.02 . 2 . . . . 16 MET HG3 . 18171 1 194 . 1 1 16 16 MET C C 13 178.93 0.2 . 1 . . . . 16 MET C . 18171 1 195 . 1 1 16 16 MET CA C 13 58.011 0.2 . 1 . . . . 16 MET CA . 18171 1 196 . 1 1 16 16 MET CB C 13 32.027 0.2 . 1 . . . . 16 MET CB . 18171 1 197 . 1 1 16 16 MET CG C 13 32.054 0.2 . 1 . . . . 16 MET CG . 18171 1 198 . 1 1 16 16 MET N N 15 114.438 0.1 . 1 . . . . 16 MET N . 18171 1 199 . 1 1 17 17 ALA H H 1 7.647 0.02 . 1 . . . . 17 ALA HN . 18171 1 200 . 1 1 17 17 ALA HA H 1 4.178 0.02 . 1 . . . . 17 ALA HA . 18171 1 201 . 1 1 17 17 ALA HB1 H 1 1.471 0.02 . 1 . . . . 17 ALA MB . 18171 1 202 . 1 1 17 17 ALA HB2 H 1 1.471 0.02 . 1 . . . . 17 ALA MB . 18171 1 203 . 1 1 17 17 ALA HB3 H 1 1.471 0.02 . 1 . . . . 17 ALA MB . 18171 1 204 . 1 1 17 17 ALA C C 13 179.091 0.2 . 1 . . . . 17 ALA C . 18171 1 205 . 1 1 17 17 ALA CA C 13 54.563 0.2 . 1 . . . . 17 ALA CA . 18171 1 206 . 1 1 17 17 ALA CB C 13 18.391 0.2 . 1 . . . . 17 ALA CB . 18171 1 207 . 1 1 17 17 ALA N N 15 123.28 0.1 . 1 . . . . 17 ALA N . 18171 1 208 . 1 1 18 18 PHE H H 1 8.032 0.02 . 1 . . . . 18 PHE HN . 18171 1 209 . 1 1 18 18 PHE HA H 1 4.118 0.02 . 1 . . . . 18 PHE HA . 18171 1 210 . 1 1 18 18 PHE HB2 H 1 3.153 0.02 . 2 . . . . 18 PHE HB2 . 18171 1 211 . 1 1 18 18 PHE HB3 H 1 3.058 0.02 . 2 . . . . 18 PHE HB3 . 18171 1 212 . 1 1 18 18 PHE HD1 H 1 7.13 0.02 . 3 . . . . 18 PHE HD1 . 18171 1 213 . 1 1 18 18 PHE HE1 H 1 7.071 0.02 . 3 . . . . 18 PHE HE1 . 18171 1 214 . 1 1 18 18 PHE HZ H 1 6.18 0.02 . 1 . . . . 18 PHE HZ . 18171 1 215 . 1 1 18 18 PHE C C 13 175.169 0.2 . 1 . . . . 18 PHE C . 18171 1 216 . 1 1 18 18 PHE CA C 13 59.434 0.2 . 1 . . . . 18 PHE CA . 18171 1 217 . 1 1 18 18 PHE CB C 13 39.043 0.2 . 1 . . . . 18 PHE CB . 18171 1 218 . 1 1 18 18 PHE CD1 C 13 133.248 0.2 . 3 . . . . 18 PHE CD1 . 18171 1 219 . 1 1 18 18 PHE CE1 C 13 132.815 0.2 . 3 . . . . 18 PHE CE1 . 18171 1 220 . 1 1 18 18 PHE N N 15 114.808 0.1 . 1 . . . . 18 PHE N . 18171 1 221 . 1 1 19 19 GLN H H 1 7.414 0.02 . 1 . . . . 19 GLN HN . 18171 1 222 . 1 1 19 19 GLN HA H 1 4.067 0.02 . 1 . . . . 19 GLN HA . 18171 1 223 . 1 1 19 19 GLN HB2 H 1 2.269 0.02 . 2 . . . . 19 GLN HB2 . 18171 1 224 . 1 1 19 19 GLN HB3 H 1 2.076 0.02 . 2 . . . . 19 GLN HB3 . 18171 1 225 . 1 1 19 19 GLN HG2 H 1 2.556 0.02 . 2 . . . . 19 GLN HG2 . 18171 1 226 . 1 1 19 19 GLN HG3 H 1 2.471 0.02 . 2 . . . . 19 GLN HG3 . 18171 1 227 . 1 1 19 19 GLN HE21 H 1 7.284 0.02 . 2 . . . . 19 GLN HE21 . 18171 1 228 . 1 1 19 19 GLN HE22 H 1 6.738 0.02 . 2 . . . . 19 GLN HE22 . 18171 1 229 . 1 1 19 19 GLN C C 13 175.843 0.2 . 1 . . . . 19 GLN C . 18171 1 230 . 1 1 19 19 GLN CA C 13 56.147 0.2 . 1 . . . . 19 GLN CA . 18171 1 231 . 1 1 19 19 GLN CB C 13 28.62 0.2 . 1 . . . . 19 GLN CB . 18171 1 232 . 1 1 19 19 GLN CG C 13 34.016 0.2 . 1 . . . . 19 GLN CG . 18171 1 233 . 1 1 19 19 GLN N N 15 114.221 0.1 . 1 . . . . 19 GLN N . 18171 1 234 . 1 1 19 19 GLN NE2 N 15 110.824 0.1 . 1 . . . . 19 GLN NE2 . 18171 1 235 . 1 1 20 20 ASN H H 1 7.497 0.02 . 1 . . . . 20 ASN HN . 18171 1 236 . 1 1 20 20 ASN HA H 1 4.883 0.02 . 1 . . . . 20 ASN HA . 18171 1 237 . 1 1 20 20 ASN HB2 H 1 3.11 0.02 . 2 . . . . 20 ASN HB2 . 18171 1 238 . 1 1 20 20 ASN HB3 H 1 2.93 0.02 . 2 . . . . 20 ASN HB3 . 18171 1 239 . 1 1 20 20 ASN HD21 H 1 7.852 0.02 . 2 . . . . 20 ASN HD21 . 18171 1 240 . 1 1 20 20 ASN HD22 H 1 7.003 0.02 . 2 . . . . 20 ASN HD22 . 18171 1 241 . 1 1 20 20 ASN C C 13 174.726 0.2 . 1 . . . . 20 ASN C . 18171 1 242 . 1 1 20 20 ASN CA C 13 50.601 0.2 . 1 . . . . 20 ASN CA . 18171 1 243 . 1 1 20 20 ASN CB C 13 39.257 0.2 . 1 . . . . 20 ASN CB . 18171 1 244 . 1 1 20 20 ASN N N 15 119.994 0.1 . 1 . . . . 20 ASN N . 18171 1 245 . 1 1 20 20 ASN ND2 N 15 112.919 0.1 . 1 . . . . 20 ASN ND2 . 18171 1 246 . 1 1 21 21 PRO HA H 1 4.189 0.02 . 1 . . . . 21 PRO HA . 18171 1 247 . 1 1 21 21 PRO HB2 H 1 2.406 0.02 . 2 . . . . 21 PRO HB2 . 18171 1 248 . 1 1 21 21 PRO HB3 H 1 1.985 0.02 . 2 . . . . 21 PRO HB3 . 18171 1 249 . 1 1 21 21 PRO HG2 H 1 2.104 0.02 . 2 . . . . 21 PRO HG2 . 18171 1 250 . 1 1 21 21 PRO HG3 H 1 2.077 0.02 . 2 . . . . 21 PRO HG3 . 18171 1 251 . 1 1 21 21 PRO HD2 H 1 4.014 0.02 . 2 . . . . 21 PRO HD2 . 18171 1 252 . 1 1 21 21 PRO HD3 H 1 3.874 0.02 . 2 . . . . 21 PRO HD3 . 18171 1 253 . 1 1 21 21 PRO C C 13 178.747 0.2 . 1 . . . . 21 PRO C . 18171 1 254 . 1 1 21 21 PRO CA C 13 65.046 0.2 . 1 . . . . 21 PRO CA . 18171 1 255 . 1 1 21 21 PRO CB C 13 32.121 0.2 . 1 . . . . 21 PRO CB . 18171 1 256 . 1 1 21 21 PRO CG C 13 27.17 0.2 . 1 . . . . 21 PRO CG . 18171 1 257 . 1 1 21 21 PRO CD C 13 51.086 0.2 . 1 . . . . 21 PRO CD . 18171 1 258 . 1 1 22 22 ARG H H 1 8.066 0.02 . 1 . . . . 22 ARG HN . 18171 1 259 . 1 1 22 22 ARG HA H 1 4.093 0.02 . 1 . . . . 22 ARG HA . 18171 1 260 . 1 1 22 22 ARG HB2 H 1 1.787 0.02 . 2 . . . . 22 ARG HB2 . 18171 1 261 . 1 1 22 22 ARG HB3 H 1 1.816 0.02 . 2 . . . . 22 ARG HB3 . 18171 1 262 . 1 1 22 22 ARG HG2 H 1 1.542 0.02 . 2 . . . . 22 ARG HG2 . 18171 1 263 . 1 1 22 22 ARG HG3 H 1 1.542 0.02 . 2 . . . . 22 ARG HG3 . 18171 1 264 . 1 1 22 22 ARG HD2 H 1 3.342 0.02 . 2 . . . . 22 ARG HD2 . 18171 1 265 . 1 1 22 22 ARG HD3 H 1 3.24 0.02 . 2 . . . . 22 ARG HD3 . 18171 1 266 . 1 1 22 22 ARG C C 13 178.827 0.2 . 1 . . . . 22 ARG C . 18171 1 267 . 1 1 22 22 ARG CA C 13 58.986 0.2 . 1 . . . . 22 ARG CA . 18171 1 268 . 1 1 22 22 ARG CB C 13 30.431 0.2 . 1 . . . . 22 ARG CB . 18171 1 269 . 1 1 22 22 ARG CG C 13 27.974 0.2 . 1 . . . . 22 ARG CG . 18171 1 270 . 1 1 22 22 ARG CD C 13 42.742 0.2 . 1 . . . . 22 ARG CD . 18171 1 271 . 1 1 22 22 ARG N N 15 117.899 0.1 . 1 . . . . 22 ARG N . 18171 1 272 . 1 1 23 23 VAL H H 1 7.199 0.02 . 1 . . . . 23 VAL HN . 18171 1 273 . 1 1 23 23 VAL HA H 1 3.384 0.02 . 1 . . . . 23 VAL HA . 18171 1 274 . 1 1 23 23 VAL HB H 1 2.307 0.02 . 1 . . . . 23 VAL HB . 18171 1 275 . 1 1 23 23 VAL HG11 H 1 0.701 0.02 . 2 . . . . 23 VAL MG1 . 18171 1 276 . 1 1 23 23 VAL HG12 H 1 0.701 0.02 . 2 . . . . 23 VAL MG1 . 18171 1 277 . 1 1 23 23 VAL HG13 H 1 0.701 0.02 . 2 . . . . 23 VAL MG1 . 18171 1 278 . 1 1 23 23 VAL HG21 H 1 0.869 0.02 . 2 . . . . 23 VAL MG2 . 18171 1 279 . 1 1 23 23 VAL HG22 H 1 0.869 0.02 . 2 . . . . 23 VAL MG2 . 18171 1 280 . 1 1 23 23 VAL HG23 H 1 0.869 0.02 . 2 . . . . 23 VAL MG2 . 18171 1 281 . 1 1 23 23 VAL C C 13 177.319 0.2 . 1 . . . . 23 VAL C . 18171 1 282 . 1 1 23 23 VAL CA C 13 65.748 0.2 . 1 . . . . 23 VAL CA . 18171 1 283 . 1 1 23 23 VAL CB C 13 31.521 0.2 . 1 . . . . 23 VAL CB . 18171 1 284 . 1 1 23 23 VAL CG1 C 13 21.668 0.2 . 2 . . . . 23 VAL CG1 . 18171 1 285 . 1 1 23 23 VAL CG2 C 13 22.498 0.2 . 2 . . . . 23 VAL CG2 . 18171 1 286 . 1 1 23 23 VAL N N 15 119.694 0.1 . 1 . . . . 23 VAL N . 18171 1 287 . 1 1 24 24 GLN H H 1 7.79 0.02 . 1 . . . . 24 GLN HN . 18171 1 288 . 1 1 24 24 GLN HA H 1 3.633 0.02 . 1 . . . . 24 GLN HA . 18171 1 289 . 1 1 24 24 GLN HB2 H 1 2.032 0.02 . 2 . . . . 24 GLN HB2 . 18171 1 290 . 1 1 24 24 GLN HB3 H 1 1.993 0.02 . 2 . . . . 24 GLN HB3 . 18171 1 291 . 1 1 24 24 GLN HG2 H 1 2.275 0.02 . 2 . . . . 24 GLN HG2 . 18171 1 292 . 1 1 24 24 GLN HG3 H 1 2.275 0.02 . 2 . . . . 24 GLN HG3 . 18171 1 293 . 1 1 24 24 GLN HE21 H 1 7.222 0.02 . 2 . . . . 24 GLN HE21 . 18171 1 294 . 1 1 24 24 GLN HE22 H 1 6.314 0.02 . 2 . . . . 24 GLN HE22 . 18171 1 295 . 1 1 24 24 GLN C C 13 177.902 0.2 . 1 . . . . 24 GLN C . 18171 1 296 . 1 1 24 24 GLN CA C 13 59.669 0.2 . 1 . . . . 24 GLN CA . 18171 1 297 . 1 1 24 24 GLN CB C 13 28.02 0.2 . 1 . . . . 24 GLN CB . 18171 1 298 . 1 1 24 24 GLN CG C 13 33.448 0.2 . 1 . . . . 24 GLN CG . 18171 1 299 . 1 1 24 24 GLN N N 15 117.842 0.1 . 1 . . . . 24 GLN N . 18171 1 300 . 1 1 24 24 GLN NE2 N 15 109.521 0.1 . 1 . . . . 24 GLN NE2 . 18171 1 301 . 1 1 25 25 ALA H H 1 7.808 0.02 . 1 . . . . 25 ALA HN . 18171 1 302 . 1 1 25 25 ALA HA H 1 4.046 0.02 . 1 . . . . 25 ALA HA . 18171 1 303 . 1 1 25 25 ALA HB1 H 1 1.487 0.02 . 1 . . . . 25 ALA MB . 18171 1 304 . 1 1 25 25 ALA HB2 H 1 1.487 0.02 . 1 . . . . 25 ALA MB . 18171 1 305 . 1 1 25 25 ALA HB3 H 1 1.487 0.02 . 1 . . . . 25 ALA MB . 18171 1 306 . 1 1 25 25 ALA C C 13 179.854 0.2 . 1 . . . . 25 ALA C . 18171 1 307 . 1 1 25 25 ALA CA C 13 55.046 0.2 . 1 . . . . 25 ALA CA . 18171 1 308 . 1 1 25 25 ALA CB C 13 17.824 0.2 . 1 . . . . 25 ALA CB . 18171 1 309 . 1 1 25 25 ALA N N 15 119.267 0.1 . 1 . . . . 25 ALA N . 18171 1 310 . 1 1 26 26 ALA H H 1 7.5 0.02 . 1 . . . . 26 ALA HN . 18171 1 311 . 1 1 26 26 ALA HA H 1 3.921 0.02 . 1 . . . . 26 ALA HA . 18171 1 312 . 1 1 26 26 ALA HB1 H 1 0.731 0.02 . 1 . . . . 26 ALA MB . 18171 1 313 . 1 1 26 26 ALA HB2 H 1 0.731 0.02 . 1 . . . . 26 ALA MB . 18171 1 314 . 1 1 26 26 ALA HB3 H 1 0.731 0.02 . 1 . . . . 26 ALA MB . 18171 1 315 . 1 1 26 26 ALA C C 13 179.988 0.2 . 1 . . . . 26 ALA C . 18171 1 316 . 1 1 26 26 ALA CA C 13 55.199 0.2 . 1 . . . . 26 ALA CA . 18171 1 317 . 1 1 26 26 ALA CB C 13 18.171 0.2 . 1 . . . . 26 ALA CB . 18171 1 318 . 1 1 26 26 ALA N N 15 120.738 0.1 . 1 . . . . 26 ALA N . 18171 1 319 . 1 1 27 27 LEU H H 1 8.324 0.02 . 1 . . . . 27 LEU HN . 18171 1 320 . 1 1 27 27 LEU HA H 1 3.913 0.02 . 1 . . . . 27 LEU HA . 18171 1 321 . 1 1 27 27 LEU HB2 H 1 1.805 0.02 . 2 . . . . 27 LEU HB2 . 18171 1 322 . 1 1 27 27 LEU HB3 H 1 1.533 0.02 . 2 . . . . 27 LEU HB3 . 18171 1 323 . 1 1 27 27 LEU HG H 1 1.688 0.02 . 1 . . . . 27 LEU HG . 18171 1 324 . 1 1 27 27 LEU HD11 H 1 0.666 0.02 . 2 . . . . 27 LEU MD1 . 18171 1 325 . 1 1 27 27 LEU HD12 H 1 0.666 0.02 . 2 . . . . 27 LEU MD1 . 18171 1 326 . 1 1 27 27 LEU HD13 H 1 0.666 0.02 . 2 . . . . 27 LEU MD1 . 18171 1 327 . 1 1 27 27 LEU HD21 H 1 0.666 0.02 . 2 . . . . 27 LEU MD2 . 18171 1 328 . 1 1 27 27 LEU HD22 H 1 0.666 0.02 . 2 . . . . 27 LEU MD2 . 18171 1 329 . 1 1 27 27 LEU HD23 H 1 0.666 0.02 . 2 . . . . 27 LEU MD2 . 18171 1 330 . 1 1 27 27 LEU C C 13 179.923 0.2 . 1 . . . . 27 LEU C . 18171 1 331 . 1 1 27 27 LEU CA C 13 58.059 0.2 . 1 . . . . 27 LEU CA . 18171 1 332 . 1 1 27 27 LEU CB C 13 40.928 0.2 . 1 . . . . 27 LEU CB . 18171 1 333 . 1 1 27 27 LEU CG C 13 26.865 0.2 . 1 . . . . 27 LEU CG . 18171 1 334 . 1 1 27 27 LEU CD1 C 13 22.994 0.2 . 2 . . . . 27 LEU CD1 . 18171 1 335 . 1 1 27 27 LEU CD2 C 13 24.93 0.2 . 2 . . . . 27 LEU CD2 . 18171 1 336 . 1 1 27 27 LEU N N 15 118.511 0.1 . 1 . . . . 27 LEU N . 18171 1 337 . 1 1 28 28 MET H H 1 8.127 0.02 . 1 . . . . 28 MET HN . 18171 1 338 . 1 1 28 28 MET HA H 1 4.144 0.02 . 1 . . . . 28 MET HA . 18171 1 339 . 1 1 28 28 MET HB2 H 1 2.211 0.02 . 2 . . . . 28 MET HB2 . 18171 1 340 . 1 1 28 28 MET HB3 H 1 2.159 0.02 . 2 . . . . 28 MET HB3 . 18171 1 341 . 1 1 28 28 MET HG2 H 1 2.729 0.02 . 2 . . . . 28 MET HG2 . 18171 1 342 . 1 1 28 28 MET HG3 H 1 2.592 0.02 . 2 . . . . 28 MET HG3 . 18171 1 343 . 1 1 28 28 MET C C 13 179.635 0.2 . 1 . . . . 28 MET C . 18171 1 344 . 1 1 28 28 MET CA C 13 58.734 0.2 . 1 . . . . 28 MET CA . 18171 1 345 . 1 1 28 28 MET CB C 13 31.901 0.2 . 1 . . . . 28 MET CB . 18171 1 346 . 1 1 28 28 MET CG C 13 32.051 0.2 . 1 . . . . 28 MET CG . 18171 1 347 . 1 1 28 28 MET N N 15 118.681 0.1 . 1 . . . . 28 MET N . 18171 1 348 . 1 1 29 29 GLU H H 1 8.302 0.02 . 1 . . . . 29 GLU HN . 18171 1 349 . 1 1 29 29 GLU HA H 1 4.226 0.02 . 1 . . . . 29 GLU HA . 18171 1 350 . 1 1 29 29 GLU HB2 H 1 2.392 0.02 . 2 . . . . 29 GLU HB2 . 18171 1 351 . 1 1 29 29 GLU HB3 H 1 2.213 0.02 . 2 . . . . 29 GLU HB3 . 18171 1 352 . 1 1 29 29 GLU HG2 H 1 2.607 0.02 . 2 . . . . 29 GLU HG2 . 18171 1 353 . 1 1 29 29 GLU HG3 H 1 2.369 0.02 . 2 . . . . 29 GLU HG3 . 18171 1 354 . 1 1 29 29 GLU C C 13 180.544 0.2 . 1 . . . . 29 GLU C . 18171 1 355 . 1 1 29 29 GLU CA C 13 59.696 0.2 . 1 . . . . 29 GLU CA . 18171 1 356 . 1 1 29 29 GLU CB C 13 29.677 0.2 . 1 . . . . 29 GLU CB . 18171 1 357 . 1 1 29 29 GLU CG C 13 36.531 0.2 . 1 . . . . 29 GLU CG . 18171 1 358 . 1 1 29 29 GLU N N 15 119.813 0.1 . 1 . . . . 29 GLU N . 18171 1 359 . 1 1 30 30 CYS H H 1 8.465 0.02 . 1 . . . . 30 CYS HN . 18171 1 360 . 1 1 30 30 CYS HA H 1 4.453 0.02 . 1 . . . . 30 CYS HA . 18171 1 361 . 1 1 30 30 CYS HB2 H 1 2.99 0.02 . 2 . . . . 30 CYS HB2 . 18171 1 362 . 1 1 30 30 CYS HB3 H 1 2.703 0.02 . 2 . . . . 30 CYS HB3 . 18171 1 363 . 1 1 30 30 CYS C C 13 175.357 0.2 . 1 . . . . 30 CYS C . 18171 1 364 . 1 1 30 30 CYS CA C 13 62.482 0.2 . 1 . . . . 30 CYS CA . 18171 1 365 . 1 1 30 30 CYS CB C 13 26.79 0.2 . 1 . . . . 30 CYS CB . 18171 1 366 . 1 1 30 30 CYS N N 15 118.465 0.1 . 1 . . . . 30 CYS N . 18171 1 367 . 1 1 31 31 SER H H 1 7.859 0.02 . 1 . . . . 31 SER HN . 18171 1 368 . 1 1 31 31 SER HA H 1 4.174 0.02 . 1 . . . . 31 SER HA . 18171 1 369 . 1 1 31 31 SER HB2 H 1 3.946 0.02 . 2 . . . . 31 SER HB2 . 18171 1 370 . 1 1 31 31 SER HB3 H 1 3.946 0.02 . 2 . . . . 31 SER HB3 . 18171 1 371 . 1 1 31 31 SER C C 13 175.371 0.2 . 1 . . . . 31 SER C . 18171 1 372 . 1 1 31 31 SER CA C 13 60.932 0.2 . 1 . . . . 31 SER CA . 18171 1 373 . 1 1 31 31 SER CB C 13 62.749 0.2 . 1 . . . . 31 SER CB . 18171 1 374 . 1 1 31 31 SER N N 15 114.366 0.1 . 1 . . . . 31 SER N . 18171 1 375 . 1 1 32 32 GLU H H 1 7.254 0.02 . 1 . . . . 32 GLU HN . 18171 1 376 . 1 1 32 32 GLU HA H 1 4.204 0.02 . 1 . . . . 32 GLU HA . 18171 1 377 . 1 1 32 32 GLU HB2 H 1 2.102 0.02 . 2 . . . . 32 GLU HB2 . 18171 1 378 . 1 1 32 32 GLU HB3 H 1 2.102 0.02 . 2 . . . . 32 GLU HB3 . 18171 1 379 . 1 1 32 32 GLU HG2 H 1 2.384 0.02 . 2 . . . . 32 GLU HG2 . 18171 1 380 . 1 1 32 32 GLU HG3 H 1 2.242 0.02 . 2 . . . . 32 GLU HG3 . 18171 1 381 . 1 1 32 32 GLU C C 13 176.983 0.2 . 1 . . . . 32 GLU C . 18171 1 382 . 1 1 32 32 GLU CA C 13 57.972 0.2 . 1 . . . . 32 GLU CA . 18171 1 383 . 1 1 32 32 GLU CB C 13 30.077 0.2 . 1 . . . . 32 GLU CB . 18171 1 384 . 1 1 32 32 GLU CG C 13 35.95 0.2 . 1 . . . . 32 GLU CG . 18171 1 385 . 1 1 32 32 GLU N N 15 119.996 0.1 . 1 . . . . 32 GLU N . 18171 1 386 . 1 1 33 33 ASN H H 1 7.37 0.02 . 1 . . . . 33 ASN HN . 18171 1 387 . 1 1 33 33 ASN HA H 1 4.973 0.02 . 1 . . . . 33 ASN HA . 18171 1 388 . 1 1 33 33 ASN HB2 H 1 2.947 0.02 . 2 . . . . 33 ASN HB2 . 18171 1 389 . 1 1 33 33 ASN HB3 H 1 2.882 0.02 . 2 . . . . 33 ASN HB3 . 18171 1 390 . 1 1 33 33 ASN HD21 H 1 7.569 0.02 . 2 . . . . 33 ASN HD21 . 18171 1 391 . 1 1 33 33 ASN HD22 H 1 6.804 0.02 . 2 . . . . 33 ASN HD22 . 18171 1 392 . 1 1 33 33 ASN C C 13 173.504 0.2 . 1 . . . . 33 ASN C . 18171 1 393 . 1 1 33 33 ASN CA C 13 50.736 0.2 . 1 . . . . 33 ASN CA . 18171 1 394 . 1 1 33 33 ASN CB C 13 39.485 0.2 . 1 . . . . 33 ASN CB . 18171 1 395 . 1 1 33 33 ASN N N 15 113.026 0.1 . 1 . . . . 33 ASN N . 18171 1 396 . 1 1 33 33 ASN ND2 N 15 111.204 0.1 . 1 . . . . 33 ASN ND2 . 18171 1 397 . 1 1 34 34 PRO HA H 1 4.574 0.02 . 1 . . . . 34 PRO HA . 18171 1 398 . 1 1 34 34 PRO HB2 H 1 2.443 0.02 . 2 . . . . 34 PRO HB2 . 18171 1 399 . 1 1 34 34 PRO HB3 H 1 2.006 0.02 . 2 . . . . 34 PRO HB3 . 18171 1 400 . 1 1 34 34 PRO HG2 H 1 2.12 0.02 . 2 . . . . 34 PRO HG2 . 18171 1 401 . 1 1 34 34 PRO HG3 H 1 2.061 0.02 . 2 . . . . 34 PRO HG3 . 18171 1 402 . 1 1 34 34 PRO HD2 H 1 3.906 0.02 . 2 . . . . 34 PRO HD2 . 18171 1 403 . 1 1 34 34 PRO HD3 H 1 3.691 0.02 . 2 . . . . 34 PRO HD3 . 18171 1 404 . 1 1 34 34 PRO C C 13 178.27 0.2 . 1 . . . . 34 PRO C . 18171 1 405 . 1 1 34 34 PRO CA C 13 64.827 0.2 . 1 . . . . 34 PRO CA . 18171 1 406 . 1 1 34 34 PRO CB C 13 31.754 0.2 . 1 . . . . 34 PRO CB . 18171 1 407 . 1 1 34 34 PRO CG C 13 26.865 0.2 . 1 . . . . 34 PRO CG . 18171 1 408 . 1 1 34 34 PRO CD C 13 50.968 0.2 . 1 . . . . 34 PRO CD . 18171 1 409 . 1 1 35 35 MET H H 1 7.962 0.02 . 1 . . . . 35 MET HN . 18171 1 410 . 1 1 35 35 MET HA H 1 4.33 0.02 . 1 . . . . 35 MET HA . 18171 1 411 . 1 1 35 35 MET HB2 H 1 2.078 0.02 . 2 . . . . 35 MET HB2 . 18171 1 412 . 1 1 35 35 MET HB3 H 1 2.006 0.02 . 2 . . . . 35 MET HB3 . 18171 1 413 . 1 1 35 35 MET HG2 H 1 2.728 0.02 . 2 . . . . 35 MET HG2 . 18171 1 414 . 1 1 35 35 MET HG3 H 1 2.561 0.02 . 2 . . . . 35 MET HG3 . 18171 1 415 . 1 1 35 35 MET C C 13 178.569 0.2 . 1 . . . . 35 MET C . 18171 1 416 . 1 1 35 35 MET CA C 13 57.05 0.2 . 1 . . . . 35 MET CA . 18171 1 417 . 1 1 35 35 MET CB C 13 31.3 0.2 . 1 . . . . 35 MET CB . 18171 1 418 . 1 1 35 35 MET CG C 13 32.341 0.2 . 1 . . . . 35 MET CG . 18171 1 419 . 1 1 35 35 MET N N 15 115.258 0.1 . 1 . . . . 35 MET N . 18171 1 420 . 1 1 36 36 ASN H H 1 8.462 0.02 . 1 . . . . 36 ASN HN . 18171 1 421 . 1 1 36 36 ASN HA H 1 4.573 0.02 . 1 . . . . 36 ASN HA . 18171 1 422 . 1 1 36 36 ASN HB2 H 1 2.973 0.02 . 2 . . . . 36 ASN HB2 . 18171 1 423 . 1 1 36 36 ASN HB3 H 1 2.866 0.02 . 2 . . . . 36 ASN HB3 . 18171 1 424 . 1 1 36 36 ASN HD21 H 1 7.489 0.02 . 2 . . . . 36 ASN HD21 . 18171 1 425 . 1 1 36 36 ASN HD22 H 1 7.357 0.02 . 2 . . . . 36 ASN HD22 . 18171 1 426 . 1 1 36 36 ASN C C 13 176.47 0.2 . 1 . . . . 36 ASN C . 18171 1 427 . 1 1 36 36 ASN CA C 13 55.126 0.2 . 1 . . . . 36 ASN CA . 18171 1 428 . 1 1 36 36 ASN CB C 13 38.442 0.2 . 1 . . . . 36 ASN CB . 18171 1 429 . 1 1 36 36 ASN N N 15 117.357 0.1 . 1 . . . . 36 ASN N . 18171 1 430 . 1 1 36 36 ASN ND2 N 15 114.036 0.1 . 1 . . . . 36 ASN ND2 . 18171 1 431 . 1 1 37 37 ILE H H 1 7.82 0.02 . 1 . . . . 37 ILE HN . 18171 1 432 . 1 1 37 37 ILE HA H 1 4.11 0.02 . 1 . . . . 37 ILE HA . 18171 1 433 . 1 1 37 37 ILE HB H 1 1.789 0.02 . 1 . . . . 37 ILE HB . 18171 1 434 . 1 1 37 37 ILE HG12 H 1 1.277 0.02 . 2 . . . . 37 ILE HG12 . 18171 1 435 . 1 1 37 37 ILE HG13 H 1 0.791 0.02 . 2 . . . . 37 ILE HG13 . 18171 1 436 . 1 1 37 37 ILE HG21 H 1 0.8 0.02 . 1 . . . . 37 ILE MG . 18171 1 437 . 1 1 37 37 ILE HG22 H 1 0.8 0.02 . 1 . . . . 37 ILE MG . 18171 1 438 . 1 1 37 37 ILE HG23 H 1 0.8 0.02 . 1 . . . . 37 ILE MG . 18171 1 439 . 1 1 37 37 ILE HD11 H 1 0.547 0.02 . 1 . . . . 37 ILE MD . 18171 1 440 . 1 1 37 37 ILE HD12 H 1 0.547 0.02 . 1 . . . . 37 ILE MD . 18171 1 441 . 1 1 37 37 ILE HD13 H 1 0.547 0.02 . 1 . . . . 37 ILE MD . 18171 1 442 . 1 1 37 37 ILE C C 13 177.331 0.2 . 1 . . . . 37 ILE C . 18171 1 443 . 1 1 37 37 ILE CA C 13 62.588 0.2 . 1 . . . . 37 ILE CA . 18171 1 444 . 1 1 37 37 ILE CB C 13 38.015 0.2 . 1 . . . . 37 ILE CB . 18171 1 445 . 1 1 37 37 ILE CG1 C 13 29.013 0.2 . 1 . . . . 37 ILE CG1 . 18171 1 446 . 1 1 37 37 ILE CG2 C 13 17.563 0.2 . 1 . . . . 37 ILE CG2 . 18171 1 447 . 1 1 37 37 ILE CD1 C 13 13.539 0.2 . 1 . . . . 37 ILE CD1 . 18171 1 448 . 1 1 37 37 ILE N N 15 121.622 0.1 . 1 . . . . 37 ILE N . 18171 1 449 . 1 1 38 38 MET H H 1 7.479 0.02 . 1 . . . . 38 MET HN . 18171 1 450 . 1 1 38 38 MET HA H 1 4.174 0.02 . 1 . . . . 38 MET HA . 18171 1 451 . 1 1 38 38 MET HB2 H 1 2.098 0.02 . 2 . . . . 38 MET HB2 . 18171 1 452 . 1 1 38 38 MET HB3 H 1 2.098 0.02 . 2 . . . . 38 MET HB3 . 18171 1 453 . 1 1 38 38 MET HG2 H 1 2.722 0.02 . 2 . . . . 38 MET HG2 . 18171 1 454 . 1 1 38 38 MET HG3 H 1 2.602 0.02 . 2 . . . . 38 MET HG3 . 18171 1 455 . 1 1 38 38 MET C C 13 178.456 0.2 . 1 . . . . 38 MET C . 18171 1 456 . 1 1 38 38 MET CA C 13 57.563 0.2 . 1 . . . . 38 MET CA . 18171 1 457 . 1 1 38 38 MET CB C 13 31.533 0.2 . 1 . . . . 38 MET CB . 18171 1 458 . 1 1 38 38 MET CG C 13 32.249 0.2 . 1 . . . . 38 MET CG . 18171 1 459 . 1 1 38 38 MET N N 15 118.071 0.1 . 1 . . . . 38 MET N . 18171 1 460 . 1 1 39 39 LYS H H 1 7.58 0.02 . 1 . . . . 39 LYS HN . 18171 1 461 . 1 1 39 39 LYS HA H 1 3.947 0.02 . 1 . . . . 39 LYS HA . 18171 1 462 . 1 1 39 39 LYS HB2 H 1 1.492 0.02 . 2 . . . . 39 LYS HB2 . 18171 1 463 . 1 1 39 39 LYS HB3 H 1 1.404 0.02 . 2 . . . . 39 LYS HB3 . 18171 1 464 . 1 1 39 39 LYS HG2 H 1 1.215 0.02 . 2 . . . . 39 LYS HG2 . 18171 1 465 . 1 1 39 39 LYS HG3 H 1 1.13 0.02 . 2 . . . . 39 LYS HG3 . 18171 1 466 . 1 1 39 39 LYS HD2 H 1 1.568 0.02 . 2 . . . . 39 LYS HD2 . 18171 1 467 . 1 1 39 39 LYS HD3 H 1 1.568 0.02 . 2 . . . . 39 LYS HD3 . 18171 1 468 . 1 1 39 39 LYS HE2 H 1 2.81 0.02 . 2 . . . . 39 LYS HE2 . 18171 1 469 . 1 1 39 39 LYS HE3 H 1 2.81 0.02 . 2 . . . . 39 LYS HE3 . 18171 1 470 . 1 1 39 39 LYS C C 13 177.456 0.2 . 1 . . . . 39 LYS C . 18171 1 471 . 1 1 39 39 LYS CA C 13 58.012 0.2 . 1 . . . . 39 LYS CA . 18171 1 472 . 1 1 39 39 LYS CB C 13 31.773 0.2 . 1 . . . . 39 LYS CB . 18171 1 473 . 1 1 39 39 LYS CG C 13 24.782 0.2 . 1 . . . . 39 LYS CG . 18171 1 474 . 1 1 39 39 LYS CD C 13 29.386 0.2 . 1 . . . . 39 LYS CD . 18171 1 475 . 1 1 39 39 LYS CE C 13 41.748 0.2 . 1 . . . . 39 LYS CE . 18171 1 476 . 1 1 39 39 LYS N N 15 117.427 0.1 . 1 . . . . 39 LYS N . 18171 1 477 . 1 1 40 40 TYR H H 1 7.651 0.02 . 1 . . . . 40 TYR HN . 18171 1 478 . 1 1 40 40 TYR HA H 1 4.53 0.02 . 1 . . . . 40 TYR HA . 18171 1 479 . 1 1 40 40 TYR HB2 H 1 3.355 0.02 . 2 . . . . 40 TYR HB2 . 18171 1 480 . 1 1 40 40 TYR HB3 H 1 2.574 0.02 . 2 . . . . 40 TYR HB3 . 18171 1 481 . 1 1 40 40 TYR HD1 H 1 7.12 0.02 . 3 . . . . 40 TYR HD1 . 18171 1 482 . 1 1 40 40 TYR HE1 H 1 6.728 0.02 . 3 . . . . 40 TYR HE1 . 18171 1 483 . 1 1 40 40 TYR C C 13 175.635 0.2 . 1 . . . . 40 TYR C . 18171 1 484 . 1 1 40 40 TYR CA C 13 58.398 0.2 . 1 . . . . 40 TYR CA . 18171 1 485 . 1 1 40 40 TYR CB C 13 39.49 0.2 . 1 . . . . 40 TYR CB . 18171 1 486 . 1 1 40 40 TYR CD1 C 13 135.631 0.2 . 3 . . . . 40 TYR CD1 . 18171 1 487 . 1 1 40 40 TYR CE1 C 13 119.939 0.2 . 3 . . . . 40 TYR CE1 . 18171 1 488 . 1 1 40 40 TYR N N 15 116.049 0.1 . 1 . . . . 40 TYR N . 18171 1 489 . 1 1 41 41 GLN H H 1 7.001 0.02 . 1 . . . . 41 GLN HN . 18171 1 490 . 1 1 41 41 GLN HA H 1 4.333 0.02 . 1 . . . . 41 GLN HA . 18171 1 491 . 1 1 41 41 GLN HB2 H 1 2.098 0.02 . 2 . . . . 41 GLN HB2 . 18171 1 492 . 1 1 41 41 GLN HB3 H 1 2.057 0.02 . 2 . . . . 41 GLN HB3 . 18171 1 493 . 1 1 41 41 GLN HG2 H 1 2.413 0.02 . 2 . . . . 41 GLN HG2 . 18171 1 494 . 1 1 41 41 GLN HG3 H 1 2.352 0.02 . 2 . . . . 41 GLN HG3 . 18171 1 495 . 1 1 41 41 GLN HE21 H 1 7.233 0.02 . 2 . . . . 41 GLN HE21 . 18171 1 496 . 1 1 41 41 GLN HE22 H 1 6.734 0.02 . 2 . . . . 41 GLN HE22 . 18171 1 497 . 1 1 41 41 GLN C C 13 175.887 0.2 . 1 . . . . 41 GLN C . 18171 1 498 . 1 1 41 41 GLN CA C 13 58.586 0.2 . 1 . . . . 41 GLN CA . 18171 1 499 . 1 1 41 41 GLN CB C 13 29.047 0.2 . 1 . . . . 41 GLN CB . 18171 1 500 . 1 1 41 41 GLN CG C 13 33.701 0.2 . 1 . . . . 41 GLN CG . 18171 1 501 . 1 1 41 41 GLN N N 15 116.626 0.1 . 1 . . . . 41 GLN N . 18171 1 502 . 1 1 41 41 GLN NE2 N 15 110.622 0.1 . 1 . . . . 41 GLN NE2 . 18171 1 503 . 1 1 42 42 ASN H H 1 8.281 0.02 . 1 . . . . 42 ASN HN . 18171 1 504 . 1 1 42 42 ASN HA H 1 4.862 0.02 . 1 . . . . 42 ASN HA . 18171 1 505 . 1 1 42 42 ASN HB2 H 1 2.931 0.02 . 2 . . . . 42 ASN HB2 . 18171 1 506 . 1 1 42 42 ASN HB3 H 1 2.644 0.02 . 2 . . . . 42 ASN HB3 . 18171 1 507 . 1 1 42 42 ASN HD21 H 1 7.471 0.02 . 2 . . . . 42 ASN HD21 . 18171 1 508 . 1 1 42 42 ASN HD22 H 1 6.817 0.02 . 2 . . . . 42 ASN HD22 . 18171 1 509 . 1 1 42 42 ASN C C 13 173.784 0.2 . 1 . . . . 42 ASN C . 18171 1 510 . 1 1 42 42 ASN CA C 13 52.532 0.2 . 1 . . . . 42 ASN CA . 18171 1 511 . 1 1 42 42 ASN CB C 13 38.588 0.2 . 1 . . . . 42 ASN CB . 18171 1 512 . 1 1 42 42 ASN N N 15 114.491 0.1 . 1 . . . . 42 ASN N . 18171 1 513 . 1 1 42 42 ASN ND2 N 15 112.438 0.1 . 1 . . . . 42 ASN ND2 . 18171 1 514 . 1 1 43 43 ASP H H 1 7.96 0.02 . 1 . . . . 43 ASP HN . 18171 1 515 . 1 1 43 43 ASP HA H 1 4.755 0.02 . 1 . . . . 43 ASP HA . 18171 1 516 . 1 1 43 43 ASP HB2 H 1 3.476 0.02 . 2 . . . . 43 ASP HB2 . 18171 1 517 . 1 1 43 43 ASP HB3 H 1 2.446 0.02 . 2 . . . . 43 ASP HB3 . 18171 1 518 . 1 1 43 43 ASP C C 13 174.773 0.2 . 1 . . . . 43 ASP C . 18171 1 519 . 1 1 43 43 ASP CA C 13 52.607 0.2 . 1 . . . . 43 ASP CA . 18171 1 520 . 1 1 43 43 ASP CB C 13 41.369 0.2 . 1 . . . . 43 ASP CB . 18171 1 521 . 1 1 43 43 ASP N N 15 122.981 0.1 . 1 . . . . 43 ASP N . 18171 1 522 . 1 1 44 44 LYS H H 1 8.361 0.02 . 1 . . . . 44 LYS HN . 18171 1 523 . 1 1 44 44 LYS HA H 1 3.86 0.02 . 1 . . . . 44 LYS HA . 18171 1 524 . 1 1 44 44 LYS HB2 H 1 1.871 0.02 . 2 . . . . 44 LYS HB2 . 18171 1 525 . 1 1 44 44 LYS HB3 H 1 1.814 0.02 . 2 . . . . 44 LYS HB3 . 18171 1 526 . 1 1 44 44 LYS HG2 H 1 1.487 0.02 . 2 . . . . 44 LYS HG2 . 18171 1 527 . 1 1 44 44 LYS HG3 H 1 1.448 0.02 . 2 . . . . 44 LYS HG3 . 18171 1 528 . 1 1 44 44 LYS HD2 H 1 1.711 0.02 . 2 . . . . 44 LYS HD2 . 18171 1 529 . 1 1 44 44 LYS HD3 H 1 1.648 0.02 . 2 . . . . 44 LYS HD3 . 18171 1 530 . 1 1 44 44 LYS HE2 H 1 3.037 0.02 . 2 . . . . 44 LYS HE2 . 18171 1 531 . 1 1 44 44 LYS HE3 H 1 3.037 0.02 . 2 . . . . 44 LYS HE3 . 18171 1 532 . 1 1 44 44 LYS C C 13 177.796 0.2 . 1 . . . . 44 LYS C . 18171 1 533 . 1 1 44 44 LYS CA C 13 59.796 0.2 . 1 . . . . 44 LYS CA . 18171 1 534 . 1 1 44 44 LYS CB C 13 32.536 0.2 . 1 . . . . 44 LYS CB . 18171 1 535 . 1 1 44 44 LYS CG C 13 24.657 0.2 . 1 . . . . 44 LYS CG . 18171 1 536 . 1 1 44 44 LYS CD C 13 28.805 0.2 . 1 . . . . 44 LYS CD . 18171 1 537 . 1 1 44 44 LYS CE C 13 42.163 0.2 . 1 . . . . 44 LYS CE . 18171 1 538 . 1 1 44 44 LYS N N 15 125.893 0.1 . 1 . . . . 44 LYS N . 18171 1 539 . 1 1 45 45 GLU H H 1 8.127 0.02 . 1 . . . . 45 GLU HN . 18171 1 540 . 1 1 45 45 GLU HA H 1 4.067 0.02 . 1 . . . . 45 GLU HA . 18171 1 541 . 1 1 45 45 GLU HB2 H 1 2.003 0.02 . 2 . . . . 45 GLU HB2 . 18171 1 542 . 1 1 45 45 GLU HB3 H 1 1.882 0.02 . 2 . . . . 45 GLU HB3 . 18171 1 543 . 1 1 45 45 GLU HG2 H 1 2.333 0.02 . 2 . . . . 45 GLU HG2 . 18171 1 544 . 1 1 45 45 GLU HG3 H 1 2.192 0.02 . 2 . . . . 45 GLU HG3 . 18171 1 545 . 1 1 45 45 GLU C C 13 178.724 0.2 . 1 . . . . 45 GLU C . 18171 1 546 . 1 1 45 45 GLU CA C 13 59.455 0.2 . 1 . . . . 45 GLU CA . 18171 1 547 . 1 1 45 45 GLU CB C 13 29.757 0.2 . 1 . . . . 45 GLU CB . 18171 1 548 . 1 1 45 45 GLU CG C 13 36.77 0.2 . 1 . . . . 45 GLU CG . 18171 1 549 . 1 1 45 45 GLU N N 15 116.698 0.1 . 1 . . . . 45 GLU N . 18171 1 550 . 1 1 46 46 VAL H H 1 7.452 0.02 . 1 . . . . 46 VAL HN . 18171 1 551 . 1 1 46 46 VAL HA H 1 3.414 0.02 . 1 . . . . 46 VAL HA . 18171 1 552 . 1 1 46 46 VAL HB H 1 1.934 0.02 . 1 . . . . 46 VAL HB . 18171 1 553 . 1 1 46 46 VAL HG11 H 1 0.362 0.02 . 2 . . . . 46 VAL MG1 . 18171 1 554 . 1 1 46 46 VAL HG12 H 1 0.362 0.02 . 2 . . . . 46 VAL MG1 . 18171 1 555 . 1 1 46 46 VAL HG13 H 1 0.362 0.02 . 2 . . . . 46 VAL MG1 . 18171 1 556 . 1 1 46 46 VAL HG21 H 1 0.748 0.02 . 2 . . . . 46 VAL MG2 . 18171 1 557 . 1 1 46 46 VAL HG22 H 1 0.748 0.02 . 2 . . . . 46 VAL MG2 . 18171 1 558 . 1 1 46 46 VAL HG23 H 1 0.748 0.02 . 2 . . . . 46 VAL MG2 . 18171 1 559 . 1 1 46 46 VAL C C 13 177.879 0.2 . 1 . . . . 46 VAL C . 18171 1 560 . 1 1 46 46 VAL CA C 13 66.43 0.2 . 1 . . . . 46 VAL CA . 18171 1 561 . 1 1 46 46 VAL CB C 13 32.028 0.2 . 1 . . . . 46 VAL CB . 18171 1 562 . 1 1 46 46 VAL CG1 C 13 21.255 0.2 . 2 . . . . 46 VAL CG1 . 18171 1 563 . 1 1 46 46 VAL CG2 C 13 23.039 0.2 . 2 . . . . 46 VAL CG2 . 18171 1 564 . 1 1 46 46 VAL N N 15 117.476 0.1 . 1 . . . . 46 VAL N . 18171 1 565 . 1 1 47 47 MET H H 1 8.542 0.02 . 1 . . . . 47 MET HN . 18171 1 566 . 1 1 47 47 MET HA H 1 4.479 0.02 . 1 . . . . 47 MET HA . 18171 1 567 . 1 1 47 47 MET HB2 H 1 2.105 0.02 . 2 . . . . 47 MET HB2 . 18171 1 568 . 1 1 47 47 MET HB3 H 1 1.984 0.02 . 2 . . . . 47 MET HB3 . 18171 1 569 . 1 1 47 47 MET HG2 H 1 2.789 0.02 . 2 . . . . 47 MET HG2 . 18171 1 570 . 1 1 47 47 MET HG3 H 1 2.667 0.02 . 2 . . . . 47 MET HG3 . 18171 1 571 . 1 1 47 47 MET C C 13 179.307 0.2 . 1 . . . . 47 MET C . 18171 1 572 . 1 1 47 47 MET CA C 13 56.809 0.2 . 1 . . . . 47 MET CA . 18171 1 573 . 1 1 47 47 MET CB C 13 30.371 0.2 . 1 . . . . 47 MET CB . 18171 1 574 . 1 1 47 47 MET CG C 13 32.29 0.2 . 1 . . . . 47 MET CG . 18171 1 575 . 1 1 47 47 MET N N 15 117.027 0.1 . 1 . . . . 47 MET N . 18171 1 576 . 1 1 48 48 ASP H H 1 8.58 0.02 . 1 . . . . 48 ASP HN . 18171 1 577 . 1 1 48 48 ASP HA H 1 4.492 0.02 . 1 . . . . 48 ASP HA . 18171 1 578 . 1 1 48 48 ASP HB2 H 1 2.874 0.02 . 2 . . . . 48 ASP HB2 . 18171 1 579 . 1 1 48 48 ASP HB3 H 1 2.578 0.02 . 2 . . . . 48 ASP HB3 . 18171 1 580 . 1 1 48 48 ASP C C 13 179.136 0.2 . 1 . . . . 48 ASP C . 18171 1 581 . 1 1 48 48 ASP CA C 13 57.571 0.2 . 1 . . . . 48 ASP CA . 18171 1 582 . 1 1 48 48 ASP CB C 13 40.453 0.2 . 1 . . . . 48 ASP CB . 18171 1 583 . 1 1 48 48 ASP N N 15 119.811 0.1 . 1 . . . . 48 ASP N . 18171 1 584 . 1 1 49 49 VAL H H 1 7.319 0.02 . 1 . . . . 49 VAL HN . 18171 1 585 . 1 1 49 49 VAL HA H 1 3.638 0.02 . 1 . . . . 49 VAL HA . 18171 1 586 . 1 1 49 49 VAL HB H 1 2.162 0.02 . 1 . . . . 49 VAL HB . 18171 1 587 . 1 1 49 49 VAL HG11 H 1 0.8 0.02 . 2 . . . . 49 VAL MG1 . 18171 1 588 . 1 1 49 49 VAL HG12 H 1 0.8 0.02 . 2 . . . . 49 VAL MG1 . 18171 1 589 . 1 1 49 49 VAL HG13 H 1 0.8 0.02 . 2 . . . . 49 VAL MG1 . 18171 1 590 . 1 1 49 49 VAL HG21 H 1 1.036 0.02 . 2 . . . . 49 VAL MG2 . 18171 1 591 . 1 1 49 49 VAL HG22 H 1 1.036 0.02 . 2 . . . . 49 VAL MG2 . 18171 1 592 . 1 1 49 49 VAL HG23 H 1 1.036 0.02 . 2 . . . . 49 VAL MG2 . 18171 1 593 . 1 1 49 49 VAL C C 13 177.777 0.2 . 1 . . . . 49 VAL C . 18171 1 594 . 1 1 49 49 VAL CA C 13 66.457 0.2 . 1 . . . . 49 VAL CA . 18171 1 595 . 1 1 49 49 VAL CB C 13 31.066 0.2 . 1 . . . . 49 VAL CB . 18171 1 596 . 1 1 49 49 VAL CG1 C 13 21.629 0.2 . 2 . . . . 49 VAL CG1 . 18171 1 597 . 1 1 49 49 VAL CG2 C 13 23.288 0.2 . 2 . . . . 49 VAL CG2 . 18171 1 598 . 1 1 49 49 VAL N N 15 118.816 0.1 . 1 . . . . 49 VAL N . 18171 1 599 . 1 1 50 50 PHE H H 1 8.529 0.02 . 1 . . . . 50 PHE HN . 18171 1 600 . 1 1 50 50 PHE HA H 1 4.136 0.02 . 1 . . . . 50 PHE HA . 18171 1 601 . 1 1 50 50 PHE HB2 H 1 3.136 0.02 . 2 . . . . 50 PHE HB2 . 18171 1 602 . 1 1 50 50 PHE HB3 H 1 3.136 0.02 . 2 . . . . 50 PHE HB3 . 18171 1 603 . 1 1 50 50 PHE HD1 H 1 7.091 0.02 . 3 . . . . 50 PHE HD1 . 18171 1 604 . 1 1 50 50 PHE HE1 H 1 6.983 0.02 . 3 . . . . 50 PHE HE1 . 18171 1 605 . 1 1 50 50 PHE C C 13 178.505 0.2 . 1 . . . . 50 PHE C . 18171 1 606 . 1 1 50 50 PHE CA C 13 61.54 0.2 . 1 . . . . 50 PHE CA . 18171 1 607 . 1 1 50 50 PHE CB C 13 38.309 0.2 . 1 . . . . 50 PHE CB . 18171 1 608 . 1 1 50 50 PHE CD1 C 13 133.015 0.2 . 3 . . . . 50 PHE CD1 . 18171 1 609 . 1 1 50 50 PHE CE1 C 13 131.149 0.2 . 3 . . . . 50 PHE CE1 . 18171 1 610 . 1 1 50 50 PHE N N 15 120.305 0.1 . 1 . . . . 50 PHE N . 18171 1 611 . 1 1 51 51 ASN H H 1 8.886 0.02 . 1 . . . . 51 ASN HN . 18171 1 612 . 1 1 51 51 ASN HA H 1 4.415 0.02 . 1 . . . . 51 ASN HA . 18171 1 613 . 1 1 51 51 ASN HB2 H 1 3.012 0.02 . 2 . . . . 51 ASN HB2 . 18171 1 614 . 1 1 51 51 ASN HB3 H 1 2.821 0.02 . 2 . . . . 51 ASN HB3 . 18171 1 615 . 1 1 51 51 ASN HD21 H 1 7.604 0.02 . 2 . . . . 51 ASN HD21 . 18171 1 616 . 1 1 51 51 ASN HD22 H 1 6.782 0.02 . 2 . . . . 51 ASN HD22 . 18171 1 617 . 1 1 51 51 ASN C C 13 177.863 0.2 . 1 . . . . 51 ASN C . 18171 1 618 . 1 1 51 51 ASN CA C 13 56.168 0.2 . 1 . . . . 51 ASN CA . 18171 1 619 . 1 1 51 51 ASN CB C 13 38.309 0.2 . 1 . . . . 51 ASN CB . 18171 1 620 . 1 1 51 51 ASN N N 15 117.888 0.1 . 1 . . . . 51 ASN N . 18171 1 621 . 1 1 51 51 ASN ND2 N 15 111.391 0.1 . 1 . . . . 51 ASN ND2 . 18171 1 622 . 1 1 52 52 LYS H H 1 7.76 0.02 . 1 . . . . 52 LYS HN . 18171 1 623 . 1 1 52 52 LYS HA H 1 4.11 0.02 . 1 . . . . 52 LYS HA . 18171 1 624 . 1 1 52 52 LYS HB2 H 1 2.024 0.02 . 2 . . . . 52 LYS HB2 . 18171 1 625 . 1 1 52 52 LYS HB3 H 1 1.869 0.02 . 2 . . . . 52 LYS HB3 . 18171 1 626 . 1 1 52 52 LYS HG2 H 1 1.618 0.02 . 2 . . . . 52 LYS HG2 . 18171 1 627 . 1 1 52 52 LYS HG3 H 1 1.525 0.02 . 2 . . . . 52 LYS HG3 . 18171 1 628 . 1 1 52 52 LYS HD2 H 1 1.489 0.02 . 2 . . . . 52 LYS HD2 . 18171 1 629 . 1 1 52 52 LYS HD3 H 1 1.489 0.02 . 2 . . . . 52 LYS HD3 . 18171 1 630 . 1 1 52 52 LYS HE2 H 1 2.921 0.02 . 2 . . . . 52 LYS HE2 . 18171 1 631 . 1 1 52 52 LYS HE3 H 1 2.921 0.02 . 2 . . . . 52 LYS HE3 . 18171 1 632 . 1 1 52 52 LYS C C 13 179.002 0.2 . 1 . . . . 52 LYS C . 18171 1 633 . 1 1 52 52 LYS CA C 13 58.974 0.2 . 1 . . . . 52 LYS CA . 18171 1 634 . 1 1 52 52 LYS CB C 13 32.055 0.2 . 1 . . . . 52 LYS CB . 18171 1 635 . 1 1 52 52 LYS CG C 13 25.113 0.2 . 1 . . . . 52 LYS CG . 18171 1 636 . 1 1 52 52 LYS CD C 13 28.474 0.2 . 1 . . . . 52 LYS CD . 18171 1 637 . 1 1 52 52 LYS CE C 13 41.883 0.2 . 1 . . . . 52 LYS CE . 18171 1 638 . 1 1 52 52 LYS N N 15 120.12 0.1 . 1 . . . . 52 LYS N . 18171 1 639 . 1 1 53 53 ILE H H 1 8.4 0.02 . 1 . . . . 53 ILE HN . 18171 1 640 . 1 1 53 53 ILE HA H 1 3.757 0.02 . 1 . . . . 53 ILE HA . 18171 1 641 . 1 1 53 53 ILE HB H 1 1.959 0.02 . 1 . . . . 53 ILE HB . 18171 1 642 . 1 1 53 53 ILE HG12 H 1 1.731 0.02 . 2 . . . . 53 ILE HG12 . 18171 1 643 . 1 1 53 53 ILE HG13 H 1 1.127 0.02 . 2 . . . . 53 ILE HG13 . 18171 1 644 . 1 1 53 53 ILE HG21 H 1 0.915 0.02 . 1 . . . . 53 ILE MG . 18171 1 645 . 1 1 53 53 ILE HG22 H 1 0.915 0.02 . 1 . . . . 53 ILE MG . 18171 1 646 . 1 1 53 53 ILE HG23 H 1 0.915 0.02 . 1 . . . . 53 ILE MG . 18171 1 647 . 1 1 53 53 ILE HD11 H 1 0.74 0.02 . 1 . . . . 53 ILE MD . 18171 1 648 . 1 1 53 53 ILE HD12 H 1 0.74 0.02 . 1 . . . . 53 ILE MD . 18171 1 649 . 1 1 53 53 ILE HD13 H 1 0.74 0.02 . 1 . . . . 53 ILE MD . 18171 1 650 . 1 1 53 53 ILE C C 13 177.686 0.2 . 1 . . . . 53 ILE C . 18171 1 651 . 1 1 53 53 ILE CA C 13 65.041 0.2 . 1 . . . . 53 ILE CA . 18171 1 652 . 1 1 53 53 ILE CB C 13 37.667 0.2 . 1 . . . . 53 ILE CB . 18171 1 653 . 1 1 53 53 ILE CG1 C 13 28.757 0.2 . 1 . . . . 53 ILE CG1 . 18171 1 654 . 1 1 53 53 ILE CG2 C 13 17.273 0.2 . 1 . . . . 53 ILE CG2 . 18171 1 655 . 1 1 53 53 ILE CD1 C 13 13.446 0.2 . 1 . . . . 53 ILE CD1 . 18171 1 656 . 1 1 53 53 ILE N N 15 117.988 0.1 . 1 . . . . 53 ILE N . 18171 1 657 . 1 1 54 54 SER H H 1 8.042 0.02 . 1 . . . . 54 SER HN . 18171 1 658 . 1 1 54 54 SER HA H 1 4.05 0.02 . 1 . . . . 54 SER HA . 18171 1 659 . 1 1 54 54 SER HB2 H 1 3.92 0.02 . 2 . . . . 54 SER HB2 . 18171 1 660 . 1 1 54 54 SER HB3 H 1 3.795 0.02 . 2 . . . . 54 SER HB3 . 18171 1 661 . 1 1 54 54 SER C C 13 175.69 0.2 . 1 . . . . 54 SER C . 18171 1 662 . 1 1 54 54 SER CA C 13 61.417 0.2 . 1 . . . . 54 SER CA . 18171 1 663 . 1 1 54 54 SER CB C 13 62.922 0.2 . 1 . . . . 54 SER CB . 18171 1 664 . 1 1 54 54 SER N N 15 114.267 0.1 . 1 . . . . 54 SER N . 18171 1 665 . 1 1 55 55 GLN H H 1 7.415 0.02 . 1 . . . . 55 GLN HN . 18171 1 666 . 1 1 55 55 GLN HA H 1 4.14 0.02 . 1 . . . . 55 GLN HA . 18171 1 667 . 1 1 55 55 GLN HB2 H 1 2.116 0.02 . 2 . . . . 55 GLN HB2 . 18171 1 668 . 1 1 55 55 GLN HB3 H 1 2.116 0.02 . 2 . . . . 55 GLN HB3 . 18171 1 669 . 1 1 55 55 GLN HG2 H 1 2.518 0.02 . 2 . . . . 55 GLN HG2 . 18171 1 670 . 1 1 55 55 GLN HG3 H 1 2.364 0.02 . 2 . . . . 55 GLN HG3 . 18171 1 671 . 1 1 55 55 GLN HE21 H 1 7.269 0.02 . 2 . . . . 55 GLN HE21 . 18171 1 672 . 1 1 55 55 GLN HE22 H 1 6.71 0.02 . 2 . . . . 55 GLN HE22 . 18171 1 673 . 1 1 55 55 GLN C C 13 177.193 0.2 . 1 . . . . 55 GLN C . 18171 1 674 . 1 1 55 55 GLN CA C 13 57.082 0.2 . 1 . . . . 55 GLN CA . 18171 1 675 . 1 1 55 55 GLN CB C 13 28.72 0.2 . 1 . . . . 55 GLN CB . 18171 1 676 . 1 1 55 55 GLN CG C 13 33.838 0.2 . 1 . . . . 55 GLN CG . 18171 1 677 . 1 1 55 55 GLN N N 15 118.045 0.1 . 1 . . . . 55 GLN N . 18171 1 678 . 1 1 55 55 GLN NE2 N 15 111.088 0.1 . 1 . . . . 55 GLN NE2 . 18171 1 679 . 1 1 56 56 LEU H H 1 7.732 0.02 . 1 . . . . 56 LEU HN . 18171 1 680 . 1 1 56 56 LEU HA H 1 4.033 0.02 . 1 . . . . 56 LEU HA . 18171 1 681 . 1 1 56 56 LEU HB2 H 1 1.604 0.02 . 2 . . . . 56 LEU HB2 . 18171 1 682 . 1 1 56 56 LEU HB3 H 1 0.97 0.02 . 2 . . . . 56 LEU HB3 . 18171 1 683 . 1 1 56 56 LEU HG H 1 1.628 0.02 . 1 . . . . 56 LEU HG . 18171 1 684 . 1 1 56 56 LEU HD11 H 1 0.755 0.02 . 2 . . . . 56 LEU MD1 . 18171 1 685 . 1 1 56 56 LEU HD12 H 1 0.755 0.02 . 2 . . . . 56 LEU MD1 . 18171 1 686 . 1 1 56 56 LEU HD13 H 1 0.755 0.02 . 2 . . . . 56 LEU MD1 . 18171 1 687 . 1 1 56 56 LEU HD21 H 1 0.712 0.02 . 2 . . . . 56 LEU MD2 . 18171 1 688 . 1 1 56 56 LEU HD22 H 1 0.712 0.02 . 2 . . . . 56 LEU MD2 . 18171 1 689 . 1 1 56 56 LEU HD23 H 1 0.712 0.02 . 2 . . . . 56 LEU MD2 . 18171 1 690 . 1 1 56 56 LEU C C 13 176.578 0.2 . 1 . . . . 56 LEU C . 18171 1 691 . 1 1 56 56 LEU CA C 13 55.905 0.2 . 1 . . . . 56 LEU CA . 18171 1 692 . 1 1 56 56 LEU CB C 13 42.549 0.2 . 1 . . . . 56 LEU CB . 18171 1 693 . 1 1 56 56 LEU CG C 13 26.53 0.2 . 1 . . . . 56 LEU CG . 18171 1 694 . 1 1 56 56 LEU CD1 C 13 22.462 0.2 . 2 . . . . 56 LEU CD1 . 18171 1 695 . 1 1 56 56 LEU CD2 C 13 25.16 0.2 . 2 . . . . 56 LEU CD2 . 18171 1 696 . 1 1 56 56 LEU N N 15 118.492 0.1 . 1 . . . . 56 LEU N . 18171 1 697 . 1 1 57 57 PHE H H 1 7.629 0.02 . 1 . . . . 57 PHE HN . 18171 1 698 . 1 1 57 57 PHE HA H 1 4.892 0.02 . 1 . . . . 57 PHE HA . 18171 1 699 . 1 1 57 57 PHE HB2 H 1 3.087 0.02 . 2 . . . . 57 PHE HB2 . 18171 1 700 . 1 1 57 57 PHE HB3 H 1 2.941 0.02 . 2 . . . . 57 PHE HB3 . 18171 1 701 . 1 1 57 57 PHE HD1 H 1 7.14 0.02 . 3 . . . . 57 PHE HD1 . 18171 1 702 . 1 1 57 57 PHE HE1 H 1 7.277 0.02 . 3 . . . . 57 PHE HE1 . 18171 1 703 . 1 1 57 57 PHE C C 13 173.125 0.2 . 1 . . . . 57 PHE C . 18171 1 704 . 1 1 57 57 PHE CA C 13 55.211 0.2 . 1 . . . . 57 PHE CA . 18171 1 705 . 1 1 57 57 PHE CB C 13 39.023 0.2 . 1 . . . . 57 PHE CB . 18171 1 706 . 1 1 57 57 PHE CD1 C 13 134.615 0.2 . 3 . . . . 57 PHE CD1 . 18171 1 707 . 1 1 57 57 PHE CE1 C 13 130.826 0.2 . 3 . . . . 57 PHE CE1 . 18171 1 708 . 1 1 57 57 PHE N N 15 116.774 0.1 . 1 . . . . 57 PHE N . 18171 1 709 . 1 1 58 58 PRO HA H 1 4.48 0.02 . 1 . . . . 58 PRO HA . 18171 1 710 . 1 1 58 58 PRO HB2 H 1 2.289 0.02 . 2 . . . . 58 PRO HB2 . 18171 1 711 . 1 1 58 58 PRO HB3 H 1 2.289 0.02 . 2 . . . . 58 PRO HB3 . 18171 1 712 . 1 1 58 58 PRO HG2 H 1 1.998 0.02 . 2 . . . . 58 PRO HG2 . 18171 1 713 . 1 1 58 58 PRO HG3 H 1 1.94 0.02 . 2 . . . . 58 PRO HG3 . 18171 1 714 . 1 1 58 58 PRO HD2 H 1 3.553 0.02 . 2 . . . . 58 PRO HD2 . 18171 1 715 . 1 1 58 58 PRO HD3 H 1 3.553 0.02 . 2 . . . . 58 PRO HD3 . 18171 1 716 . 1 1 58 58 PRO C C 13 178.09 0.2 . 1 . . . . 58 PRO C . 18171 1 717 . 1 1 58 58 PRO CA C 13 63.972 0.2 . 1 . . . . 58 PRO CA . 18171 1 718 . 1 1 58 58 PRO CB C 13 30.927 0.2 . 1 . . . . 58 PRO CB . 18171 1 719 . 1 1 58 58 PRO CG C 13 27.165 0.2 . 1 . . . . 58 PRO CG . 18171 1 720 . 1 1 58 58 PRO CD C 13 50.208 0.2 . 1 . . . . 58 PRO CD . 18171 1 721 . 1 1 59 59 GLY H H 1 8.411 0.02 . 1 . . . . 59 GLY HN . 18171 1 722 . 1 1 59 59 GLY HA2 H 1 3.965 0.02 . 1 . . . . 59 GLY HA2 . 18171 1 723 . 1 1 59 59 GLY HA3 H 1 3.965 0.02 . 1 . . . . 59 GLY HA3 . 18171 1 724 . 1 1 59 59 GLY C C 13 174.93 0.2 . 1 . . . . 59 GLY C . 18171 1 725 . 1 1 59 59 GLY CA C 13 45.384 0.2 . 1 . . . . 59 GLY CA . 18171 1 726 . 1 1 59 59 GLY N N 15 108.335 0.1 . 1 . . . . 59 GLY N . 18171 1 727 . 1 1 60 60 MET H H 1 8.053 0.02 . 1 . . . . 60 MET HN . 18171 1 728 . 1 1 60 60 MET HA H 1 4.467 0.02 . 1 . . . . 60 MET HA . 18171 1 729 . 1 1 60 60 MET HB2 H 1 2.138 0.02 . 2 . . . . 60 MET HB2 . 18171 1 730 . 1 1 60 60 MET HB3 H 1 2.123 0.02 . 2 . . . . 60 MET HB3 . 18171 1 731 . 1 1 60 60 MET HG2 H 1 2.573 0.02 . 2 . . . . 60 MET HG2 . 18171 1 732 . 1 1 60 60 MET HG3 H 1 2.505 0.02 . 2 . . . . 60 MET HG3 . 18171 1 733 . 1 1 60 60 MET C C 13 176.32 0.2 . 1 . . . . 60 MET C . 18171 1 734 . 1 1 60 60 MET CA C 13 56.395 0.2 . 1 . . . . 60 MET CA . 18171 1 735 . 1 1 60 60 MET CB C 13 32.964 0.2 . 1 . . . . 60 MET CB . 18171 1 736 . 1 1 60 60 MET CG C 13 32.18 0.2 . 1 . . . . 60 MET CG . 18171 1 737 . 1 1 60 60 MET N N 15 119.206 0.1 . 1 . . . . 60 MET N . 18171 1 738 . 1 1 61 61 THR H H 1 7.88 0.02 . 1 . . . . 61 THR HN . 18171 1 739 . 1 1 61 61 THR HA H 1 4.402 0.02 . 1 . . . . 61 THR HA . 18171 1 740 . 1 1 61 61 THR HB H 1 4.329 0.02 . 1 . . . . 61 THR HB . 18171 1 741 . 1 1 61 61 THR HG21 H 1 1.159 0.02 . 1 . . . . 61 THR HG1 . 18171 1 742 . 1 1 61 61 THR HG22 H 1 1.159 0.02 . 1 . . . . 61 THR HG1 . 18171 1 743 . 1 1 61 61 THR HG23 H 1 1.159 0.02 . 1 . . . . 61 THR HG1 . 18171 1 744 . 1 1 61 61 THR C C 13 173.976 0.2 . 1 . . . . 61 THR C . 18171 1 745 . 1 1 61 61 THR CA C 13 61.233 0.2 . 1 . . . . 61 THR CA . 18171 1 746 . 1 1 61 61 THR CB C 13 70.12 0.2 . 1 . . . . 61 THR CB . 18171 1 747 . 1 1 61 61 THR CG2 C 13 21.22 0.2 . 1 . . . . 61 THR CG2 . 18171 1 748 . 1 1 61 61 THR N N 15 111.041 0.1 . 1 . . . . 61 THR N . 18171 1 749 . 1 1 62 62 GLY H H 1 7.785 0.02 . 1 . . . . 62 GLY HN . 18171 1 750 . 1 1 62 62 GLY HA2 H 1 3.761 0.02 . 1 . . . . 62 GLY HA2 . 18171 1 751 . 1 1 62 62 GLY HA3 H 1 3.761 0.02 . 1 . . . . 62 GLY HA3 . 18171 1 752 . 1 1 62 62 GLY C C 13 178.809 0.2 . 1 . . . . 62 GLY C . 18171 1 753 . 1 1 62 62 GLY CA C 13 46.094 0.2 . 1 . . . . 62 GLY CA . 18171 1 754 . 1 1 62 62 GLY N N 15 116.361 0.1 . 1 . . . . 62 GLY N . 18171 1 stop_ save_