data_19003 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 19003 _Entry.Title ; Solution structure of the Core Domain (10-76) of the Feline Calicivirus VPg protein. ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2013-02-05 _Entry.Accession_date 2013-02-05 _Entry.Last_release_date 2013-02-13 _Entry.Original_release_date 2013-02-13 _Entry.Origination author _Entry.NMR_STAR_version 3.1.2.6 _Entry.Original_NMR_STAR_version 3.1 _Entry.Experimental_method NMR _Entry.Experimental_method_subtype SOLUTION _Entry.Details 'The solution structure of FCV VPg residues 10-76' _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.ORCID _Entry_author.Entry_ID 1 Rex Kwok . N. . . 19003 2 Eoin Leen . N. . . 19003 3 James Birtley . R. . . 19003 4 Sean Prater . N. . . 19003 5 Pete Simpson . J. . . 19003 6 Stephen Curry . . . . 19003 7 Steve Matthews . . . . 19003 8 Jan Marchant . . . . 19003 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' . 19003 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID 'Feline Calicivirus' . 19003 NS5 . 19003 VPg . 19003 'Viral Protein genome linked' . 19003 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 19003 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 307 19003 '15N chemical shifts' 81 19003 '1H chemical shifts' 465 19003 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 . . 2013-04-29 2013-02-05 update BMRB 'update entry citation' 19003 1 . . 2013-03-21 2013-02-05 original author 'original release' 19003 stop_ loop_ _Related_entries.Database_name _Related_entries.Database_accession_code _Related_entries.Relationship _Related_entries.Entry_ID BMRB 19002 'Core Domain (11-85) of the Murine Norovirus VPg protein' 19003 PDB 2M4H 'BMRB Entry Tracking System' 19003 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 19003 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI . _Citation.PubMed_ID 23487472 _Citation.Full_citation . _Citation.Title ; Structures of the Compact Helical Core Domains of Feline Calicivirus and Murine Norovirus VPg Proteins. ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'J. Virol.' _Citation.Journal_name_full 'Journal of virology' _Citation.Journal_volume 87 _Citation.Journal_issue 10 _Citation.Journal_ASTM . _Citation.Journal_ISSN . _Citation.Journal_CSD . _Citation.Book_title . _Citation.Book_chapter_title . _Citation.Book_volume . _Citation.Book_series . _Citation.Book_publisher . _Citation.Book_publisher_city . _Citation.Book_ISBN . _Citation.Conference_title . _Citation.Conference_site . _Citation.Conference_state_province . _Citation.Conference_country . _Citation.Conference_start_date . _Citation.Conference_end_date . _Citation.Conference_abstract_number . _Citation.Thesis_institution . _Citation.Thesis_institution_city . _Citation.Thesis_institution_country . _Citation.WWW_URL . _Citation.Page_first 5318 _Citation.Page_last 5330 _Citation.Year 2013 _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.ORCID _Citation_author.Entry_ID _Citation_author.Citation_ID 1 Eoin Leen . N. . . 19003 1 2 'K. Y Rex' Kwok . . . . 19003 1 3 James Birtley . R. . . 19003 1 4 Peter Simpson . J. . . 19003 1 5 Chennareddy Subba-Reddy . V. . . 19003 1 6 Yasmin Chaudhry . . . . 19003 1 7 Stanislav Sosnovtsev . V. . . 19003 1 8 Kim Green . Y. . . 19003 1 9 Sean Prater . N. . . 19003 1 10 Michael Tong . . . . 19003 1 11 Joanna Young . C. . . 19003 1 12 Liliane Chung . M.W. . . 19003 1 13 Jan Marchant . . . . 19003 1 14 Lisa Roberts . O. . . 19003 1 15 'C. Cheng' Kao . . . . 19003 1 16 Stephen Matthews . . . . 19003 1 17 Ian Goodfellow . G. . . 19003 1 18 Stephen Curry . . . . 19003 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 19003 _Assembly.ID 1 _Assembly.Name 'Core Domain (10-76) of the Feline Calicivirus VPg protein' _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds . _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass . _Assembly.Enzyme_commission_number . _Assembly.Details . _Assembly.DB_query_date . _Assembly.DB_query_revised_last_date . loop_ _Entity_assembly.ID _Entity_assembly.Entity_assembly_name _Entity_assembly.Entity_ID _Entity_assembly.Entity_label _Entity_assembly.Asym_ID _Entity_assembly.PDB_chain_ID _Entity_assembly.Experimental_data_reported _Entity_assembly.Physical_state _Entity_assembly.Conformational_isomer _Entity_assembly.Chemical_exchange_state _Entity_assembly.Magnetic_equivalence_group_code _Entity_assembly.Role _Entity_assembly.Details _Entity_assembly.Entry_ID _Entity_assembly.Assembly_ID 1 FCV_VPg_9-76 1 $FCV_VPg_9-76 A . yes native no no . . . 19003 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_FCV_VPg_9-76 _Entity.Sf_category entity _Entity.Sf_framecode FCV_VPg_9-76 _Entity.Entry_ID 19003 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name FCV_VPg _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 ; IGTYRGRGVALTDDEYDEWR EHNASRKLDLSVEDFLMLRH RAALGADDNDAVKFRSWWNS RTKMANDYEDV ; _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 71 _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 7906.722 _Entity.Formula_weight_exptl . _Entity.Formula_weight_exptl_meth . _Entity.Details . _Entity.DB_query_date . _Entity.DB_query_revised_last_date . 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 9 ILE . 19003 1 2 10 GLY . 19003 1 3 11 THR . 19003 1 4 12 TYR . 19003 1 5 13 ARG . 19003 1 6 14 GLY . 19003 1 7 15 ARG . 19003 1 8 16 GLY . 19003 1 9 17 VAL . 19003 1 10 18 ALA . 19003 1 11 19 LEU . 19003 1 12 20 THR . 19003 1 13 21 ASP . 19003 1 14 22 ASP . 19003 1 15 23 GLU . 19003 1 16 24 TYR . 19003 1 17 25 ASP . 19003 1 18 26 GLU . 19003 1 19 27 TRP . 19003 1 20 28 ARG . 19003 1 21 29 GLU . 19003 1 22 30 HIS . 19003 1 23 31 ASN . 19003 1 24 32 ALA . 19003 1 25 33 SER . 19003 1 26 34 ARG . 19003 1 27 35 LYS . 19003 1 28 36 LEU . 19003 1 29 37 ASP . 19003 1 30 38 LEU . 19003 1 31 39 SER . 19003 1 32 40 VAL . 19003 1 33 41 GLU . 19003 1 34 42 ASP . 19003 1 35 43 PHE . 19003 1 36 44 LEU . 19003 1 37 45 MET . 19003 1 38 46 LEU . 19003 1 39 47 ARG . 19003 1 40 48 HIS . 19003 1 41 49 ARG . 19003 1 42 50 ALA . 19003 1 43 51 ALA . 19003 1 44 52 LEU . 19003 1 45 53 GLY . 19003 1 46 54 ALA . 19003 1 47 55 ASP . 19003 1 48 56 ASP . 19003 1 49 57 ASN . 19003 1 50 58 ASP . 19003 1 51 59 ALA . 19003 1 52 60 VAL . 19003 1 53 61 LYS . 19003 1 54 62 PHE . 19003 1 55 63 ARG . 19003 1 56 64 SER . 19003 1 57 65 TRP . 19003 1 58 66 TRP . 19003 1 59 67 ASN . 19003 1 60 68 SER . 19003 1 61 69 ARG . 19003 1 62 70 THR . 19003 1 63 71 LYS . 19003 1 64 72 MET . 19003 1 65 73 ALA . 19003 1 66 74 ASN . 19003 1 67 75 ASP . 19003 1 68 76 TYR . 19003 1 69 77 GLU . 19003 1 70 78 ASP . 19003 1 71 79 VAL . 19003 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 . ILE 1 1 19003 1 . GLY 2 2 19003 1 . THR 3 3 19003 1 . TYR 4 4 19003 1 . ARG 5 5 19003 1 . GLY 6 6 19003 1 . ARG 7 7 19003 1 . GLY 8 8 19003 1 . VAL 9 9 19003 1 . ALA 10 10 19003 1 . LEU 11 11 19003 1 . THR 12 12 19003 1 . ASP 13 13 19003 1 . ASP 14 14 19003 1 . GLU 15 15 19003 1 . TYR 16 16 19003 1 . ASP 17 17 19003 1 . GLU 18 18 19003 1 . TRP 19 19 19003 1 . ARG 20 20 19003 1 . GLU 21 21 19003 1 . HIS 22 22 19003 1 . ASN 23 23 19003 1 . ALA 24 24 19003 1 . SER 25 25 19003 1 . ARG 26 26 19003 1 . LYS 27 27 19003 1 . LEU 28 28 19003 1 . ASP 29 29 19003 1 . LEU 30 30 19003 1 . SER 31 31 19003 1 . VAL 32 32 19003 1 . GLU 33 33 19003 1 . ASP 34 34 19003 1 . PHE 35 35 19003 1 . LEU 36 36 19003 1 . MET 37 37 19003 1 . LEU 38 38 19003 1 . ARG 39 39 19003 1 . HIS 40 40 19003 1 . ARG 41 41 19003 1 . ALA 42 42 19003 1 . ALA 43 43 19003 1 . LEU 44 44 19003 1 . GLY 45 45 19003 1 . ALA 46 46 19003 1 . ASP 47 47 19003 1 . ASP 48 48 19003 1 . ASN 49 49 19003 1 . ASP 50 50 19003 1 . ALA 51 51 19003 1 . VAL 52 52 19003 1 . LYS 53 53 19003 1 . PHE 54 54 19003 1 . ARG 55 55 19003 1 . SER 56 56 19003 1 . TRP 57 57 19003 1 . TRP 58 58 19003 1 . ASN 59 59 19003 1 . SER 60 60 19003 1 . ARG 61 61 19003 1 . THR 62 62 19003 1 . LYS 63 63 19003 1 . MET 64 64 19003 1 . ALA 65 65 19003 1 . ASN 66 66 19003 1 . ASP 67 67 19003 1 . TYR 68 68 19003 1 . GLU 69 69 19003 1 . ASP 70 70 19003 1 . VAL 71 71 19003 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 19003 _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.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.Secretion _Entity_natural_src.Plasmid _Entity_natural_src.Gene_mnemonic _Entity_natural_src.Details _Entity_natural_src.Entry_ID _Entity_natural_src.Entity_natural_src_list_ID 1 1 $FCV_VPg_9-76 . 11978 virus . 'Feline calicivirus' 'Feline calicivirus' . . Viruses . Feline calicivirus F9 . . . . . . . . . . VPg . 19003 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 19003 _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_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.Details _Entity_experimental_src.Entry_ID _Entity_experimental_src.Entity_experimental_src_list_ID 1 1 $FCV_VPg_9-76 . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli Bl21(DE3) . . . . . pQE30 . . 'Expressed overnight at 22 degrees celcius' 19003 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 19003 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details '100-200 uM protein in 20 mM HEPES pH 7, 300 mM NaCl, 1 mM NaN3' _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 'FCV VPg 7-76' '[U-99% 13C; U-99% 15N]' . . 1 $FCV_VPg_9-76 . . . 100 200 uM . . . . 19003 1 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19003 1 3 'HEPES pH7' 'natural abundance' . . . . . . 20 . . mM . . . . 19003 1 4 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19003 1 5 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19003 1 6 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19003 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 19003 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein: 100-200 M in 20 mM HEPES pH 7, 300 mM NaCl, 1 mM NaN3.' _Sample.Aggregate_sample_number . _Sample.Solvent_system '100% 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 'FCV VPg 7-76' '[U-99% 13C; U-99% 15N]' . . 1 $FCV_VPg_9-76 . . . 100 200 uM . . . . 19003 2 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19003 2 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19003 2 4 'HEPES pH7' 'natural abundance' . . . . . . 20 . . mM . . . . 19003 2 5 D2O 'natural abundance' . . . . . . 100 . . % . . . . 19003 2 stop_ save_ save_sample_3 _Sample.Sf_category sample _Sample.Sf_framecode sample_3 _Sample.Entry_ID 19003 _Sample.ID 3 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'Protein: 100-200 M in 20 mM HEPES pH 7, 300 mM NaCl, 1 mM NaN3.' _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 'FCV VPg 7-76' '[U-99% 13C; U-99% 15N]' . . 1 $FCV_VPg_9-76 . . . 100 200 uM . . . . 19003 3 2 'sodium chloride' 'natural abundance' . . . . . . 300 . . mM . . . . 19003 3 3 'sodium azide' 'natural abundance' . . . . . . 1 . . mM . . . . 19003 3 4 'HEPES pH7' 'natural abundance' . . . . . . 20 . . mM . . . . 19003 3 5 'Pf1 phage' 'natural abundance' . . . . . . 15 . . mg/mL . . . . 19003 3 6 H2O 'natural abundance' . . . . . . 90 . . % . . . . 19003 3 7 D2O 'natural abundance' . . . . . . 10 . . % . . . . 19003 3 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 19003 _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' 300 . mM 19003 1 pH 7 . pH 19003 1 pressure 1 . atm 19003 1 temperature 283 . K 19003 1 stop_ save_ save_sample_conditions_2 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_2 _Sample_condition_list.Entry_ID 19003 _Sample_condition_list.ID 2 _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' 300 . mM 19003 2 pH 7 . pH 19003 2 pressure 1 . bar 19003 2 temperature 283 . K 19003 2 stop_ save_ save_sample_conditions_3 _Sample_condition_list.Sf_category sample_conditions _Sample_condition_list.Sf_framecode sample_conditions_3 _Sample_condition_list.Entry_ID 19003 _Sample_condition_list.ID 3 _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' 300 . mM 19003 3 pH 7 . pH 19003 3 pressure 1 . Pa 19003 3 temperature 280 . K 19003 3 stop_ save_ ############################ # Computer software used # ############################ save_TALOS _Software.Sf_category software _Software.Sf_framecode TALOS _Software.Entry_ID 19003 _Software.ID 1 _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' . . 19003 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'geometry optimization' 19003 1 stop_ save_ save_ARIA _Software.Sf_category software _Software.Sf_framecode ARIA _Software.Entry_ID 19003 _Software.ID 2 _Software.Name ARIA _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID "Linge, O'Donoghue and Nilges" . . 19003 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19003 2 stop_ save_ save_NMRView _Software.Sf_category software _Software.Sf_framecode NMRView _Software.Entry_ID 19003 _Software.ID 3 _Software.Name NMRView _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Johnson, One Moon Scientific' . . 19003 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19003 3 'data analysis' 19003 3 stop_ save_ save_MARS _Software.Sf_category software _Software.Sf_framecode MARS _Software.Entry_ID 19003 _Software.ID 4 _Software.Name MARS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Zweckstetter et al., 2004' . http://www3.mpibpc.mpg.de/groups/zweckstetter/_links/software_mars.htm 19003 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 19003 4 stop_ save_ save_NMRPipe _Software.Sf_category software _Software.Sf_framecode NMRPipe _Software.Entry_ID 19003 _Software.ID 5 _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' . . 19003 5 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 19003 5 stop_ save_ save_CNS _Software.Sf_category software _Software.Sf_framecode CNS _Software.Entry_ID 19003 _Software.ID 6 _Software.Name CNS _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Brunger, Adams, Clore, Gros, Nilges and Read' . . 19003 6 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'structure solution' 19003 6 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_spectrometer_1 _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode spectrometer_1 _NMR_spectrometer.Entry_ID 19003 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model DRX _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 19003 _NMR_spectrometer.ID 2 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Avance _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 800 save_ save_NMR_spectrometer_list _NMR_spectrometer_list.Sf_category NMR_spectrometer_list _NMR_spectrometer_list.Sf_framecode NMR_spectrometer_list _NMR_spectrometer_list.Entry_ID 19003 _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 DRX . 500 . . . 19003 1 2 spectrometer_2 Bruker Avance . 800 . . . 19003 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 19003 _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 . . . . . . . . . . . . . . . . 19003 1 2 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 3 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 4 '3D HNCO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 5 '3D HBHA(CBCACO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 6 '3D 1H-15N NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 7 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 8 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 9 '2D 1H-13C HSQC aromatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 2 $spectrometer_2 . . . . . . . . . . . . . . . . 19003 1 10 '2D 1H-13C HSQC aliphatic' no . . . . . . . . . . 2 $sample_2 isotropic . . 2 $sample_conditions_2 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 11 '2D 1H-15N HSQC' no . . . . . . . . . . 3 $sample_3 anisotropic . . 3 $sample_conditions_3 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 1 12 '3D HN(CA)CO' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $spectrometer_1 . . . . . . . . . . . . . . . . 19003 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 19003 _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.Ref_correction_type _Chem_shift_ref.Correction_val _Chem_shift_ref.Entry_ID _Chem_shift_ref.Chem_shift_reference_ID C 13 water protons . . . . ppm 4.7 internal indirect 0.251449530 . . . . . 19003 1 H 1 water protons . . . . ppm 4.7 internal direct 1 . . . . . 19003 1 N 15 water protons . . . . ppm 4.7 internal indirect 0.101329118 . . . . . 19003 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 19003 _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' . . . 19003 1 2 '3D HNCACB' . . . 19003 1 3 '3D CBCA(CO)NH' . . . 19003 1 4 '3D HNCO' . . . 19003 1 5 '3D HBHA(CBCACO)NH' . . . 19003 1 6 '3D 1H-15N NOESY' . . . 19003 1 7 '3D HCCH-TOCSY' . . . 19003 1 8 '3D 1H-13C NOESY' . . . 19003 1 9 '2D 1H-13C HSQC aromatic' . . . 19003 1 10 '2D 1H-13C HSQC aliphatic' . . . 19003 1 12 '3D HN(CA)CO' . . . 19003 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 ILE H H 1 8.357 0.000 . 1 . . . . 9 ILE H . 19003 1 2 . 1 1 1 1 ILE C C 13 176.695 0.000 . 1 . . . . 9 ILE C . 19003 1 3 . 1 1 1 1 ILE CA C 13 61.671 0.000 . 1 . . . . 9 ILE CA . 19003 1 4 . 1 1 1 1 ILE CB C 13 38.539 0.000 . 1 . . . . 9 ILE CB . 19003 1 5 . 1 1 1 1 ILE N N 15 122.683 0.000 . 1 . . . . 9 ILE N . 19003 1 6 . 1 1 2 2 GLY H H 1 8.484 0.000 . 1 . . . A 10 GLY H . 19003 1 7 . 1 1 2 2 GLY HA2 H 1 3.965 0.000 . 2 . . . A 10 GLY HA2 . 19003 1 8 . 1 1 2 2 GLY HA3 H 1 3.965 0.000 . 2 . . . A 10 GLY HA3 . 19003 1 9 . 1 1 2 2 GLY C C 13 174.507 0.000 . 1 . . . A 10 GLY C . 19003 1 10 . 1 1 2 2 GLY CA C 13 45.612 0.000 . 1 . . . A 10 GLY CA . 19003 1 11 . 1 1 2 2 GLY N N 15 112.082 0.000 . 1 . . . A 10 GLY N . 19003 1 12 . 1 1 3 3 THR H H 1 8.010 0.000 . 1 . . . A 11 THR H . 19003 1 13 . 1 1 3 3 THR HA H 1 4.246 0.000 . 1 . . . A 11 THR HA . 19003 1 14 . 1 1 3 3 THR HB H 1 4.107 0.000 . 1 . . . A 11 THR HB . 19003 1 15 . 1 1 3 3 THR HG21 H 1 1.077 0.000 . 1 . . . A 11 THR HG21 . 19003 1 16 . 1 1 3 3 THR HG22 H 1 1.077 0.000 . 1 . . . A 11 THR HG22 . 19003 1 17 . 1 1 3 3 THR HG23 H 1 1.077 0.000 . 1 . . . A 11 THR HG23 . 19003 1 18 . 1 1 3 3 THR C C 13 174.586 0.000 . 1 . . . A 11 THR C . 19003 1 19 . 1 1 3 3 THR CA C 13 62.246 0.000 . 1 . . . A 11 THR CA . 19003 1 20 . 1 1 3 3 THR CB C 13 69.310 0.000 . 1 . . . A 11 THR CB . 19003 1 21 . 1 1 3 3 THR CG2 C 13 21.505 0.000 . 1 . . . A 11 THR CG2 . 19003 1 22 . 1 1 3 3 THR N N 15 114.405 0.000 . 1 . . . A 11 THR N . 19003 1 23 . 1 1 4 4 TYR H H 1 8.274 0.000 . 1 . . . A 12 TYR H . 19003 1 24 . 1 1 4 4 TYR HA H 1 4.395 0.000 . 1 . . . A 12 TYR HA . 19003 1 25 . 1 1 4 4 TYR HB2 H 1 2.900 0.000 . 2 . . . A 12 TYR HB2 . 19003 1 26 . 1 1 4 4 TYR HB3 H 1 2.900 0.000 . 2 . . . A 12 TYR HB3 . 19003 1 27 . 1 1 4 4 TYR HD1 H 1 6.988 0.000 . 3 . . . A 12 TYR HD1 . 19003 1 28 . 1 1 4 4 TYR HD2 H 1 6.988 0.000 . 3 . . . A 12 TYR HD2 . 19003 1 29 . 1 1 4 4 TYR HE1 H 1 6.740 0.000 . 3 . . . A 12 TYR HE1 . 19003 1 30 . 1 1 4 4 TYR HE2 H 1 6.740 0.000 . 3 . . . A 12 TYR HE2 . 19003 1 31 . 1 1 4 4 TYR C C 13 176.070 0.000 . 1 . . . A 12 TYR C . 19003 1 32 . 1 1 4 4 TYR CA C 13 58.510 0.000 . 1 . . . A 12 TYR CA . 19003 1 33 . 1 1 4 4 TYR CB C 13 38.584 0.000 . 1 . . . A 12 TYR CB . 19003 1 34 . 1 1 4 4 TYR CD1 C 13 132.988 0.000 . 3 . . . A 12 TYR CD1 . 19003 1 35 . 1 1 4 4 TYR CD2 C 13 132.988 0.000 . 3 . . . A 12 TYR CD2 . 19003 1 36 . 1 1 4 4 TYR CE1 C 13 118.288 0.000 . 3 . . . A 12 TYR CE1 . 19003 1 37 . 1 1 4 4 TYR CE2 C 13 118.288 0.000 . 3 . . . A 12 TYR CE2 . 19003 1 38 . 1 1 4 4 TYR N N 15 123.008 0.000 . 1 . . . A 12 TYR N . 19003 1 39 . 1 1 5 5 ARG H H 1 8.371 0.000 . 1 . . . A 13 ARG H . 19003 1 40 . 1 1 5 5 ARG HA H 1 4.250 0.000 . 1 . . . A 13 ARG HA . 19003 1 41 . 1 1 5 5 ARG HB2 H 1 1.602 0.000 . 2 . . . A 13 ARG HB2 . 19003 1 42 . 1 1 5 5 ARG HB3 H 1 1.767 0.000 . 2 . . . A 13 ARG HB3 . 19003 1 43 . 1 1 5 5 ARG HG2 H 1 1.495 0.000 . 2 . . . A 13 ARG HG2 . 19003 1 44 . 1 1 5 5 ARG HG3 H 1 1.636 0.000 . 2 . . . A 13 ARG HG3 . 19003 1 45 . 1 1 5 5 ARG HD2 H 1 3.137 0.000 . 2 . . . A 13 ARG HD2 . 19003 1 46 . 1 1 5 5 ARG HD3 H 1 3.137 0.000 . 2 . . . A 13 ARG HD3 . 19003 1 47 . 1 1 5 5 ARG C C 13 176.829 0.000 . 1 . . . A 13 ARG C . 19003 1 48 . 1 1 5 5 ARG CA C 13 56.375 0.000 . 1 . . . A 13 ARG CA . 19003 1 49 . 1 1 5 5 ARG CB C 13 30.489 0.000 . 1 . . . A 13 ARG CB . 19003 1 50 . 1 1 5 5 ARG CG C 13 26.959 0.000 . 1 . . . A 13 ARG CG . 19003 1 51 . 1 1 5 5 ARG CD C 13 43.210 0.000 . 1 . . . A 13 ARG CD . 19003 1 52 . 1 1 5 5 ARG N N 15 123.852 0.000 . 1 . . . A 13 ARG N . 19003 1 53 . 1 1 6 6 GLY H H 1 7.646 0.000 . 1 . . . A 14 GLY H . 19003 1 54 . 1 1 6 6 GLY HA2 H 1 3.976 0.000 . 2 . . . A 14 GLY HA2 . 19003 1 55 . 1 1 6 6 GLY HA3 H 1 3.976 0.000 . 2 . . . A 14 GLY HA3 . 19003 1 56 . 1 1 6 6 GLY C C 13 173.911 0.000 . 1 . . . A 14 GLY C . 19003 1 57 . 1 1 6 6 GLY CA C 13 45.167 0.000 . 1 . . . A 14 GLY CA . 19003 1 58 . 1 1 6 6 GLY N N 15 108.394 0.000 . 1 . . . A 14 GLY N . 19003 1 59 . 1 1 7 7 ARG H H 1 8.568 0.000 . 1 . . . A 15 ARG H . 19003 1 60 . 1 1 7 7 ARG HA H 1 4.266 0.000 . 1 . . . A 15 ARG HA . 19003 1 61 . 1 1 7 7 ARG HB2 H 1 1.737 0.000 . 2 . . . A 15 ARG HB2 . 19003 1 62 . 1 1 7 7 ARG HB3 H 1 1.849 0.000 . 2 . . . A 15 ARG HB3 . 19003 1 63 . 1 1 7 7 ARG HG2 H 1 1.623 0.000 . 2 . . . A 15 ARG HG2 . 19003 1 64 . 1 1 7 7 ARG HG3 H 1 1.489 0.000 . 2 . . . A 15 ARG HG3 . 19003 1 65 . 1 1 7 7 ARG HD2 H 1 3.104 0.000 . 2 . . . A 15 ARG HD2 . 19003 1 66 . 1 1 7 7 ARG HD3 H 1 3.104 0.000 . 2 . . . A 15 ARG HD3 . 19003 1 67 . 1 1 7 7 ARG C C 13 177.053 0.000 . 1 . . . A 15 ARG C . 19003 1 68 . 1 1 7 7 ARG CA C 13 56.286 0.000 . 1 . . . A 15 ARG CA . 19003 1 69 . 1 1 7 7 ARG CB C 13 30.578 0.000 . 1 . . . A 15 ARG CB . 19003 1 70 . 1 1 7 7 ARG CG C 13 27.016 0.000 . 1 . . . A 15 ARG CG . 19003 1 71 . 1 1 7 7 ARG CD C 13 43.226 0.000 . 1 . . . A 15 ARG CD . 19003 1 72 . 1 1 7 7 ARG N N 15 121.238 0.000 . 1 . . . A 15 ARG N . 19003 1 73 . 1 1 8 8 GLY H H 1 8.525 0.000 . 1 . . . A 16 GLY H . 19003 1 74 . 1 1 8 8 GLY HA2 H 1 3.888 0.000 . 2 . . . A 16 GLY HA2 . 19003 1 75 . 1 1 8 8 GLY HA3 H 1 3.920 0.000 . 2 . . . A 16 GLY HA3 . 19003 1 76 . 1 1 8 8 GLY C C 13 173.911 0.000 . 1 . . . A 16 GLY C . 19003 1 77 . 1 1 8 8 GLY CA C 13 45.523 0.000 . 1 . . . A 16 GLY CA . 19003 1 78 . 1 1 8 8 GLY N N 15 110.085 0.000 . 1 . . . A 16 GLY N . 19003 1 79 . 1 1 9 9 VAL H H 1 7.779 0.000 . 1 . . . A 17 VAL H . 19003 1 80 . 1 1 9 9 VAL HA H 1 4.049 0.000 . 1 . . . A 17 VAL HA . 19003 1 81 . 1 1 9 9 VAL HB H 1 1.954 0.000 . 1 . . . A 17 VAL HB . 19003 1 82 . 1 1 9 9 VAL HG11 H 1 0.823 0.000 . 2 . . . A 17 VAL HG11 . 19003 1 83 . 1 1 9 9 VAL HG12 H 1 0.823 0.000 . 2 . . . A 17 VAL HG12 . 19003 1 84 . 1 1 9 9 VAL HG13 H 1 0.823 0.000 . 2 . . . A 17 VAL HG13 . 19003 1 85 . 1 1 9 9 VAL HG21 H 1 0.823 0.000 . 2 . . . A 17 VAL HG21 . 19003 1 86 . 1 1 9 9 VAL HG22 H 1 0.823 0.000 . 2 . . . A 17 VAL HG22 . 19003 1 87 . 1 1 9 9 VAL HG23 H 1 0.823 0.000 . 2 . . . A 17 VAL HG23 . 19003 1 88 . 1 1 9 9 VAL C C 13 175.147 0.000 . 1 . . . A 17 VAL C . 19003 1 89 . 1 1 9 9 VAL CA C 13 61.890 0.000 . 1 . . . A 17 VAL CA . 19003 1 90 . 1 1 9 9 VAL CB C 13 32.713 0.000 . 1 . . . A 17 VAL CB . 19003 1 91 . 1 1 9 9 VAL CG1 C 13 20.746 0.000 . 1 . . . A 17 VAL CG1 . 19003 1 92 . 1 1 9 9 VAL CG2 C 13 20.746 0.000 . 1 . . . A 17 VAL CG2 . 19003 1 93 . 1 1 9 9 VAL N N 15 119.300 0.000 . 1 . . . A 17 VAL N . 19003 1 94 . 1 1 10 10 ALA H H 1 8.367 0.000 . 1 . . . A 18 ALA H . 19003 1 95 . 1 1 10 10 ALA HA H 1 4.334 0.000 . 1 . . . A 18 ALA HA . 19003 1 96 . 1 1 10 10 ALA HB1 H 1 1.310 0.000 . 1 . . . A 18 ALA HB1 . 19003 1 97 . 1 1 10 10 ALA HB2 H 1 1.310 0.000 . 1 . . . A 18 ALA HB2 . 19003 1 98 . 1 1 10 10 ALA HB3 H 1 1.310 0.000 . 1 . . . A 18 ALA HB3 . 19003 1 99 . 1 1 10 10 ALA C C 13 177.082 0.000 . 1 . . . A 18 ALA C . 19003 1 100 . 1 1 10 10 ALA CA C 13 52.016 0.000 . 1 . . . A 18 ALA CA . 19003 1 101 . 1 1 10 10 ALA CB C 13 19.014 0.000 . 1 . . . A 18 ALA CB . 19003 1 102 . 1 1 10 10 ALA N N 15 128.131 0.000 . 1 . . . A 18 ALA N . 19003 1 103 . 1 1 11 11 LEU H H 1 8.160 0.000 . 1 . . . A 19 LEU H . 19003 1 104 . 1 1 11 11 LEU HA H 1 4.638 0.000 . 1 . . . A 19 LEU HA . 19003 1 105 . 1 1 11 11 LEU HB2 H 1 1.510 0.000 . 2 . . . A 19 LEU HB2 . 19003 1 106 . 1 1 11 11 LEU HB3 H 1 1.684 0.000 . 2 . . . A 19 LEU HB3 . 19003 1 107 . 1 1 11 11 LEU HG H 1 1.649 0.000 . 1 . . . A 19 LEU HG . 19003 1 108 . 1 1 11 11 LEU HD11 H 1 0.713 0.000 . 2 . . . A 19 LEU HD11 . 19003 1 109 . 1 1 11 11 LEU HD12 H 1 0.713 0.000 . 2 . . . A 19 LEU HD12 . 19003 1 110 . 1 1 11 11 LEU HD13 H 1 0.713 0.000 . 2 . . . A 19 LEU HD13 . 19003 1 111 . 1 1 11 11 LEU HD21 H 1 0.761 0.000 . 2 . . . A 19 LEU HD21 . 19003 1 112 . 1 1 11 11 LEU HD22 H 1 0.761 0.000 . 2 . . . A 19 LEU HD22 . 19003 1 113 . 1 1 11 11 LEU HD23 H 1 0.761 0.000 . 2 . . . A 19 LEU HD23 . 19003 1 114 . 1 1 11 11 LEU C C 13 177.058 0.000 . 1 . . . A 19 LEU C . 19003 1 115 . 1 1 11 11 LEU CA C 13 54.596 0.000 . 1 . . . A 19 LEU CA . 19003 1 116 . 1 1 11 11 LEU CB C 13 43.832 0.000 . 1 . . . A 19 LEU CB . 19003 1 117 . 1 1 11 11 LEU CG C 13 26.926 0.000 . 1 . . . A 19 LEU CG . 19003 1 118 . 1 1 11 11 LEU CD1 C 13 26.210 0.000 . 1 . . . A 19 LEU CD1 . 19003 1 119 . 1 1 11 11 LEU CD2 C 13 24.239 0.000 . 1 . . . A 19 LEU CD2 . 19003 1 120 . 1 1 11 11 LEU N N 15 122.503 0.000 . 1 . . . A 19 LEU N . 19003 1 121 . 1 1 12 12 THR H H 1 9.098 0.000 . 1 . . . A 20 THR H . 19003 1 122 . 1 1 12 12 THR HA H 1 4.524 0.000 . 1 . . . A 20 THR HA . 19003 1 123 . 1 1 12 12 THR HB H 1 4.729 0.000 . 1 . . . A 20 THR HB . 19003 1 124 . 1 1 12 12 THR HG21 H 1 1.302 0.000 . 1 . . . A 20 THR HG21 . 19003 1 125 . 1 1 12 12 THR HG22 H 1 1.302 0.000 . 1 . . . A 20 THR HG22 . 19003 1 126 . 1 1 12 12 THR HG23 H 1 1.302 0.000 . 1 . . . A 20 THR HG23 . 19003 1 127 . 1 1 12 12 THR C C 13 177.950 0.000 . 1 . . . A 20 THR C . 19003 1 128 . 1 1 12 12 THR CA C 13 61.001 0.000 . 1 . . . A 20 THR CA . 19003 1 129 . 1 1 12 12 THR CB C 13 70.697 0.000 . 1 . . . A 20 THR CB . 19003 1 130 . 1 1 12 12 THR CG2 C 13 21.821 0.000 . 1 . . . A 20 THR CG2 . 19003 1 131 . 1 1 12 12 THR N N 15 115.199 0.000 . 1 . . . A 20 THR N . 19003 1 132 . 1 1 13 13 ASP H H 1 8.962 0.000 . 1 . . . A 21 ASP H . 19003 1 133 . 1 1 13 13 ASP HA H 1 4.516 0.000 . 1 . . . A 21 ASP HA . 19003 1 134 . 1 1 13 13 ASP HB2 H 1 2.847 0.000 . 2 . . . A 21 ASP HB2 . 19003 1 135 . 1 1 13 13 ASP HB3 H 1 2.685 0.000 . 2 . . . A 21 ASP HB3 . 19003 1 136 . 1 1 13 13 ASP C C 13 178.378 0.000 . 1 . . . A 21 ASP C . 19003 1 137 . 1 1 13 13 ASP CA C 13 57.798 0.000 . 1 . . . A 21 ASP CA . 19003 1 138 . 1 1 13 13 ASP CB C 13 39.918 0.000 . 1 . . . A 21 ASP CB . 19003 1 139 . 1 1 13 13 ASP N N 15 121.413 0.000 . 1 . . . A 21 ASP N . 19003 1 140 . 1 1 14 14 ASP H H 1 8.467 0.000 . 1 . . . A 22 ASP H . 19003 1 141 . 1 1 14 14 ASP HA H 1 4.556 0.000 . 1 . . . A 22 ASP HA . 19003 1 142 . 1 1 14 14 ASP HB2 H 1 2.647 0.000 . 2 . . . A 22 ASP HB2 . 19003 1 143 . 1 1 14 14 ASP HB3 H 1 2.824 0.000 . 2 . . . A 22 ASP HB3 . 19003 1 144 . 1 1 14 14 ASP C C 13 178.869 0.000 . 1 . . . A 22 ASP C . 19003 1 145 . 1 1 14 14 ASP CA C 13 57.709 0.000 . 1 . . . A 22 ASP CA . 19003 1 146 . 1 1 14 14 ASP CB C 13 40.274 0.000 . 1 . . . A 22 ASP CB . 19003 1 147 . 1 1 14 14 ASP N N 15 117.981 0.000 . 1 . . . A 22 ASP N . 19003 1 148 . 1 1 15 15 GLU H H 1 7.933 0.000 . 1 . . . A 23 GLU H . 19003 1 149 . 1 1 15 15 GLU HA H 1 4.178 0.000 . 1 . . . A 23 GLU HA . 19003 1 150 . 1 1 15 15 GLU HB2 H 1 2.537 0.000 . 2 . . . A 23 GLU HB2 . 19003 1 151 . 1 1 15 15 GLU HB3 H 1 2.635 0.000 . 2 . . . A 23 GLU HB3 . 19003 1 152 . 1 1 15 15 GLU HG2 H 1 2.626 0.000 . 2 . . . A 23 GLU HG2 . 19003 1 153 . 1 1 15 15 GLU HG3 H 1 2.873 0.000 . 2 . . . A 23 GLU HG3 . 19003 1 154 . 1 1 15 15 GLU C C 13 178.452 0.000 . 1 . . . A 23 GLU C . 19003 1 155 . 1 1 15 15 GLU CA C 13 59.667 0.000 . 1 . . . A 23 GLU CA . 19003 1 156 . 1 1 15 15 GLU CB C 13 30.688 0.000 . 1 . . . A 23 GLU CB . 19003 1 157 . 1 1 15 15 GLU CG C 13 37.673 0.000 . 1 . . . A 23 GLU CG . 19003 1 158 . 1 1 15 15 GLU N N 15 120.900 0.000 . 1 . . . A 23 GLU N . 19003 1 159 . 1 1 16 16 TYR H H 1 8.539 0.000 . 1 . . . A 24 TYR H . 19003 1 160 . 1 1 16 16 TYR HA H 1 4.323 0.000 . 1 . . . A 24 TYR HA . 19003 1 161 . 1 1 16 16 TYR HB2 H 1 3.090 0.000 . 2 . . . A 24 TYR HB2 . 19003 1 162 . 1 1 16 16 TYR HB3 H 1 3.370 0.000 . 2 . . . A 24 TYR HB3 . 19003 1 163 . 1 1 16 16 TYR HD1 H 1 7.230 0.000 . 3 . . . A 24 TYR HD1 . 19003 1 164 . 1 1 16 16 TYR HD2 H 1 7.230 0.000 . 3 . . . A 24 TYR HD2 . 19003 1 165 . 1 1 16 16 TYR HE1 H 1 6.850 0.000 . 3 . . . A 24 TYR HE1 . 19003 1 166 . 1 1 16 16 TYR HE2 H 1 6.850 0.000 . 3 . . . A 24 TYR HE2 . 19003 1 167 . 1 1 16 16 TYR C C 13 177.589 0.000 . 1 . . . A 24 TYR C . 19003 1 168 . 1 1 16 16 TYR CA C 13 62.498 0.000 . 1 . . . A 24 TYR CA . 19003 1 169 . 1 1 16 16 TYR CB C 13 38.479 0.000 . 1 . . . A 24 TYR CB . 19003 1 170 . 1 1 16 16 TYR CD1 C 13 132.988 0.000 . 3 . . . A 24 TYR CD1 . 19003 1 171 . 1 1 16 16 TYR CD2 C 13 132.988 0.000 . 3 . . . A 24 TYR CD2 . 19003 1 172 . 1 1 16 16 TYR CE1 C 13 117.988 0.000 . 3 . . . A 24 TYR CE1 . 19003 1 173 . 1 1 16 16 TYR CE2 C 13 117.988 0.000 . 3 . . . A 24 TYR CE2 . 19003 1 174 . 1 1 16 16 TYR N N 15 119.764 0.000 . 1 . . . A 24 TYR N . 19003 1 175 . 1 1 17 17 ASP H H 1 8.369 0.000 . 1 . . . A 25 ASP H . 19003 1 176 . 1 1 17 17 ASP HA H 1 4.476 0.000 . 1 . . . A 25 ASP HA . 19003 1 177 . 1 1 17 17 ASP HB2 H 1 2.976 0.000 . 2 . . . A 25 ASP HB2 . 19003 1 178 . 1 1 17 17 ASP HB3 H 1 2.832 0.000 . 2 . . . A 25 ASP HB3 . 19003 1 179 . 1 1 17 17 ASP C C 13 179.078 0.000 . 1 . . . A 25 ASP C . 19003 1 180 . 1 1 17 17 ASP CA C 13 57.532 0.000 . 1 . . . A 25 ASP CA . 19003 1 181 . 1 1 17 17 ASP CB C 13 40.181 0.000 . 1 . . . A 25 ASP CB . 19003 1 182 . 1 1 17 17 ASP N N 15 119.296 0.000 . 1 . . . A 25 ASP N . 19003 1 183 . 1 1 18 18 GLU H H 1 8.356 0.000 . 1 . . . A 26 GLU H . 19003 1 184 . 1 1 18 18 GLU HA H 1 4.205 0.000 . 1 . . . A 26 GLU HA . 19003 1 185 . 1 1 18 18 GLU HB2 H 1 2.540 0.000 . 2 . . . A 26 GLU HB2 . 19003 1 186 . 1 1 18 18 GLU HB3 H 1 2.510 0.000 . 2 . . . A 26 GLU HB3 . 19003 1 187 . 1 1 18 18 GLU C C 13 177.514 0.000 . 1 . . . A 26 GLU C . 19003 1 188 . 1 1 18 18 GLU CA C 13 59.400 0.000 . 1 . . . A 26 GLU CA . 19003 1 189 . 1 1 18 18 GLU CB C 13 30.777 0.000 . 1 . . . A 26 GLU CB . 19003 1 190 . 1 1 18 18 GLU N N 15 121.770 0.000 . 1 . . . A 26 GLU N . 19003 1 191 . 1 1 19 19 TRP H H 1 8.314 0.000 . 1 . . . A 27 TRP H . 19003 1 192 . 1 1 19 19 TRP HA H 1 4.178 0.000 . 1 . . . A 27 TRP HA . 19003 1 193 . 1 1 19 19 TRP HB2 H 1 2.562 0.000 . 2 . . . A 27 TRP HB2 . 19003 1 194 . 1 1 19 19 TRP HB3 H 1 2.567 0.000 . 2 . . . A 27 TRP HB3 . 19003 1 195 . 1 1 19 19 TRP HD1 H 1 6.560 0.000 . 1 . . . A 27 TRP HD1 . 19003 1 196 . 1 1 19 19 TRP HE1 H 1 9.693 0.000 . 1 . . . A 27 TRP HE1 . 19003 1 197 . 1 1 19 19 TRP HE3 H 1 7.330 0.000 . 1 . . . A 27 TRP HE3 . 19003 1 198 . 1 1 19 19 TRP HZ2 H 1 7.420 0.000 . 1 . . . A 27 TRP HZ2 . 19003 1 199 . 1 1 19 19 TRP HZ3 H 1 6.960 0.000 . 1 . . . A 27 TRP HZ3 . 19003 1 200 . 1 1 19 19 TRP HH2 H 1 7.170 0.000 . 1 . . . A 27 TRP HH2 . 19003 1 201 . 1 1 19 19 TRP C C 13 177.873 0.000 . 1 . . . A 27 TRP C . 19003 1 202 . 1 1 19 19 TRP CA C 13 59.885 0.000 . 1 . . . A 27 TRP CA . 19003 1 203 . 1 1 19 19 TRP CB C 13 30.578 0.000 . 1 . . . A 27 TRP CB . 19003 1 204 . 1 1 19 19 TRP CD1 C 13 125.988 0.000 . 1 . . . A 27 TRP CD1 . 19003 1 205 . 1 1 19 19 TRP CE3 C 13 120.988 0.000 . 1 . . . A 27 TRP CE3 . 19003 1 206 . 1 1 19 19 TRP CZ2 C 13 113.588 0.000 . 1 . . . A 27 TRP CZ2 . 19003 1 207 . 1 1 19 19 TRP CZ3 C 13 120.988 0.000 . 1 . . . A 27 TRP CZ3 . 19003 1 208 . 1 1 19 19 TRP CH2 C 13 124.288 0.000 . 1 . . . A 27 TRP CH2 . 19003 1 209 . 1 1 19 19 TRP N N 15 122.248 0.000 . 1 . . . A 27 TRP N . 19003 1 210 . 1 1 19 19 TRP NE1 N 15 129.200 0.000 . 1 . . . A 27 TRP NE1 . 19003 1 211 . 1 1 20 20 ARG H H 1 7.974 0.000 . 1 . . . A 28 ARG H . 19003 1 212 . 1 1 20 20 ARG HA H 1 3.070 0.000 . 1 . . . A 28 ARG HA . 19003 1 213 . 1 1 20 20 ARG HB2 H 1 1.550 0.000 . 2 . . . A 28 ARG HB2 . 19003 1 214 . 1 1 20 20 ARG HB3 H 1 1.709 0.000 . 2 . . . A 28 ARG HB3 . 19003 1 215 . 1 1 20 20 ARG HG2 H 1 1.105 0.000 . 2 . . . A 28 ARG HG2 . 19003 1 216 . 1 1 20 20 ARG HG3 H 1 1.430 0.000 . 2 . . . A 28 ARG HG3 . 19003 1 217 . 1 1 20 20 ARG HD2 H 1 2.736 0.000 . 2 . . . A 28 ARG HD2 . 19003 1 218 . 1 1 20 20 ARG HD3 H 1 2.736 0.000 . 2 . . . A 28 ARG HD3 . 19003 1 219 . 1 1 20 20 ARG HE H 1 6.850 0.000 . 1 . . . A 28 ARG HE . 19003 1 220 . 1 1 20 20 ARG C C 13 179.775 0.000 . 1 . . . A 28 ARG C . 19003 1 221 . 1 1 20 20 ARG CA C 13 58.421 0.000 . 1 . . . A 28 ARG CA . 19003 1 222 . 1 1 20 20 ARG CB C 13 29.734 0.000 . 1 . . . A 28 ARG CB . 19003 1 223 . 1 1 20 20 ARG CG C 13 26.867 0.000 . 1 . . . A 28 ARG CG . 19003 1 224 . 1 1 20 20 ARG CD C 13 43.001 0.000 . 1 . . . A 28 ARG CD . 19003 1 225 . 1 1 20 20 ARG N N 15 117.274 0.000 . 1 . . . A 28 ARG N . 19003 1 226 . 1 1 20 20 ARG NE N 15 83.720 0.000 . 1 . . . A 28 ARG NE . 19003 1 227 . 1 1 21 21 GLU H H 1 8.591 0.000 . 1 . . . A 29 GLU H . 19003 1 228 . 1 1 21 21 GLU HA H 1 4.049 0.000 . 1 . . . A 29 GLU HA . 19003 1 229 . 1 1 21 21 GLU HB2 H 1 2.315 0.000 . 2 . . . A 29 GLU HB2 . 19003 1 230 . 1 1 21 21 GLU HB3 H 1 2.317 0.000 . 2 . . . A 29 GLU HB3 . 19003 1 231 . 1 1 21 21 GLU HG2 H 1 2.433 0.000 . 2 . . . A 29 GLU HG2 . 19003 1 232 . 1 1 21 21 GLU HG3 H 1 2.557 0.000 . 2 . . . A 29 GLU HG3 . 19003 1 233 . 1 1 21 21 GLU C C 13 178.720 0.000 . 1 . . . A 29 GLU C . 19003 1 234 . 1 1 21 21 GLU CA C 13 58.955 0.000 . 1 . . . A 29 GLU CA . 19003 1 235 . 1 1 21 21 GLU CB C 13 29.511 0.000 . 1 . . . A 29 GLU CB . 19003 1 236 . 1 1 21 21 GLU CG C 13 36.271 0.000 . 1 . . . A 29 GLU CG . 19003 1 237 . 1 1 21 21 GLU N N 15 121.770 0.000 . 1 . . . A 29 GLU N . 19003 1 238 . 1 1 22 22 HIS H H 1 8.723 0.000 . 1 . . . A 30 HIS H . 19003 1 239 . 1 1 22 22 HIS HA H 1 3.135 0.000 . 1 . . . A 30 HIS HA . 19003 1 240 . 1 1 22 22 HIS HB2 H 1 2.604 0.000 . 2 . . . A 30 HIS HB2 . 19003 1 241 . 1 1 22 22 HIS HB3 H 1 2.856 0.000 . 2 . . . A 30 HIS HB3 . 19003 1 242 . 1 1 22 22 HIS HD2 H 1 5.790 0.000 . 1 . . . A 30 HIS HD2 . 19003 1 243 . 1 1 22 22 HIS HE1 H 1 7.350 0.000 . 1 . . . A 30 HIS HE1 . 19003 1 244 . 1 1 22 22 HIS C C 13 176.308 0.000 . 1 . . . A 30 HIS C . 19003 1 245 . 1 1 22 22 HIS CA C 13 60.253 0.000 . 1 . . . A 30 HIS CA . 19003 1 246 . 1 1 22 22 HIS CB C 13 27.869 0.000 . 1 . . . A 30 HIS CB . 19003 1 247 . 1 1 22 22 HIS CD2 C 13 129.188 0.000 . 1 . . . A 30 HIS CD2 . 19003 1 248 . 1 1 22 22 HIS CE1 C 13 136.288 0.000 . 1 . . . A 30 HIS CE1 . 19003 1 249 . 1 1 22 22 HIS N N 15 121.863 0.000 . 1 . . . A 30 HIS N . 19003 1 250 . 1 1 23 23 ASN H H 1 7.405 0.000 . 1 . . . A 31 ASN H . 19003 1 251 . 1 1 23 23 ASN HA H 1 4.056 0.000 . 1 . . . A 31 ASN HA . 19003 1 252 . 1 1 23 23 ASN HB2 H 1 2.226 0.000 . 2 . . . A 31 ASN HB2 . 19003 1 253 . 1 1 23 23 ASN HB3 H 1 2.749 0.000 . 2 . . . A 31 ASN HB3 . 19003 1 254 . 1 1 23 23 ASN C C 13 178.035 0.000 . 1 . . . A 31 ASN C . 19003 1 255 . 1 1 23 23 ASN CA C 13 55.179 0.000 . 1 . . . A 31 ASN CA . 19003 1 256 . 1 1 23 23 ASN CB C 13 36.823 0.000 . 1 . . . A 31 ASN CB . 19003 1 257 . 1 1 23 23 ASN N N 15 117.257 0.000 . 1 . . . A 31 ASN N . 19003 1 258 . 1 1 24 24 ALA H H 1 7.905 0.000 . 1 . . . A 32 ALA H . 19003 1 259 . 1 1 24 24 ALA HA H 1 4.065 0.000 . 1 . . . A 32 ALA HA . 19003 1 260 . 1 1 24 24 ALA HB1 H 1 1.390 0.000 . 1 . . . A 32 ALA HB1 . 19003 1 261 . 1 1 24 24 ALA HB2 H 1 1.390 0.000 . 1 . . . A 32 ALA HB2 . 19003 1 262 . 1 1 24 24 ALA HB3 H 1 1.390 0.000 . 1 . . . A 32 ALA HB3 . 19003 1 263 . 1 1 24 24 ALA C C 13 180.463 0.000 . 1 . . . A 32 ALA C . 19003 1 264 . 1 1 24 24 ALA CA C 13 54.685 0.000 . 1 . . . A 32 ALA CA . 19003 1 265 . 1 1 24 24 ALA CB C 13 18.213 0.000 . 1 . . . A 32 ALA CB . 19003 1 266 . 1 1 24 24 ALA N N 15 120.650 0.000 . 1 . . . A 32 ALA N . 19003 1 267 . 1 1 25 25 SER H H 1 8.569 0.000 . 1 . . . A 33 SER H . 19003 1 268 . 1 1 25 25 SER HA H 1 4.205 0.000 . 1 . . . A 33 SER HA . 19003 1 269 . 1 1 25 25 SER HB2 H 1 3.996 0.000 . 2 . . . A 33 SER HB2 . 19003 1 270 . 1 1 25 25 SER HB3 H 1 4.138 0.000 . 2 . . . A 33 SER HB3 . 19003 1 271 . 1 1 25 25 SER CA C 13 61.074 0.000 . 1 . . . A 33 SER CA . 19003 1 272 . 1 1 25 25 SER CB C 13 63.834 0.000 . 1 . . . A 33 SER CB . 19003 1 273 . 1 1 25 25 SER N N 15 112.890 0.000 . 1 . . . A 33 SER N . 19003 1 274 . 1 1 26 26 ARG HA H 1 4.161 0.000 . 1 . . . A 34 ARG HA . 19003 1 275 . 1 1 26 26 ARG HB2 H 1 1.750 0.000 . 2 . . . A 34 ARG HB2 . 19003 1 276 . 1 1 26 26 ARG HG2 H 1 1.040 0.000 . 2 . . . A 34 ARG HG2 . 19003 1 277 . 1 1 26 26 ARG HD2 H 1 2.350 0.000 . 2 . . . A 34 ARG HD2 . 19003 1 278 . 1 1 26 26 ARG HD3 H 1 2.460 0.000 . 2 . . . A 34 ARG HD3 . 19003 1 279 . 1 1 26 26 ARG C C 13 174.641 0.000 . 1 . . . A 34 ARG C . 19003 1 280 . 1 1 26 26 ARG CA C 13 56.019 0.000 . 1 . . . A 34 ARG CA . 19003 1 281 . 1 1 26 26 ARG CG C 13 26.700 0.000 . 1 . . . A 34 ARG CG . 19003 1 282 . 1 1 26 26 ARG CD C 13 43.500 0.000 . 1 . . . A 34 ARG CD . 19003 1 283 . 1 1 27 27 LYS H H 1 7.492 0.000 . 1 . . . A 35 LYS H . 19003 1 284 . 1 1 27 27 LYS HA H 1 3.888 0.000 . 1 . . . A 35 LYS HA . 19003 1 285 . 1 1 27 27 LYS HB2 H 1 1.795 0.000 . 2 . . . A 35 LYS HB2 . 19003 1 286 . 1 1 27 27 LYS HB3 H 1 2.024 0.000 . 2 . . . A 35 LYS HB3 . 19003 1 287 . 1 1 27 27 LYS HG2 H 1 1.315 0.000 . 2 . . . A 35 LYS HG2 . 19003 1 288 . 1 1 27 27 LYS HG3 H 1 1.315 0.000 . 2 . . . A 35 LYS HG3 . 19003 1 289 . 1 1 27 27 LYS HD2 H 1 1.670 0.000 . 2 . . . A 35 LYS HD2 . 19003 1 290 . 1 1 27 27 LYS HD3 H 1 1.670 0.000 . 2 . . . A 35 LYS HD3 . 19003 1 291 . 1 1 27 27 LYS HE2 H 1 2.977 0.000 . 2 . . . A 35 LYS HE2 . 19003 1 292 . 1 1 27 27 LYS HE3 H 1 2.977 0.000 . 2 . . . A 35 LYS HE3 . 19003 1 293 . 1 1 27 27 LYS C C 13 175.501 0.000 . 1 . . . A 35 LYS C . 19003 1 294 . 1 1 27 27 LYS CA C 13 57.087 0.000 . 1 . . . A 35 LYS CA . 19003 1 295 . 1 1 27 27 LYS CB C 13 28.710 0.000 . 1 . . . A 35 LYS CB . 19003 1 296 . 1 1 27 27 LYS CG C 13 24.909 0.000 . 1 . . . A 35 LYS CG . 19003 1 297 . 1 1 27 27 LYS CD C 13 29.866 0.000 . 1 . . . A 35 LYS CD . 19003 1 298 . 1 1 27 27 LYS CE C 13 42.486 0.000 . 1 . . . A 35 LYS CE . 19003 1 299 . 1 1 27 27 LYS N N 15 117.509 0.000 . 1 . . . A 35 LYS N . 19003 1 300 . 1 1 28 28 LEU H H 1 8.165 0.000 . 1 . . . A 36 LEU H . 19003 1 301 . 1 1 28 28 LEU HA H 1 4.595 0.000 . 1 . . . A 36 LEU HA . 19003 1 302 . 1 1 28 28 LEU HB2 H 1 1.390 0.000 . 2 . . . A 36 LEU HB2 . 19003 1 303 . 1 1 28 28 LEU HB3 H 1 1.410 0.000 . 2 . . . A 36 LEU HB3 . 19003 1 304 . 1 1 28 28 LEU HG H 1 1.328 0.000 . 1 . . . A 36 LEU HG . 19003 1 305 . 1 1 28 28 LEU HD11 H 1 0.817 0.000 . 2 . . . A 36 LEU HD11 . 19003 1 306 . 1 1 28 28 LEU HD12 H 1 0.817 0.000 . 2 . . . A 36 LEU HD12 . 19003 1 307 . 1 1 28 28 LEU HD13 H 1 0.817 0.000 . 2 . . . A 36 LEU HD13 . 19003 1 308 . 1 1 28 28 LEU HD21 H 1 0.646 0.000 . 2 . . . A 36 LEU HD21 . 19003 1 309 . 1 1 28 28 LEU HD22 H 1 0.646 0.000 . 2 . . . A 36 LEU HD22 . 19003 1 310 . 1 1 28 28 LEU HD23 H 1 0.646 0.000 . 2 . . . A 36 LEU HD23 . 19003 1 311 . 1 1 28 28 LEU C C 13 175.281 0.000 . 1 . . . A 36 LEU C . 19003 1 312 . 1 1 28 28 LEU CA C 13 52.791 0.000 . 1 . . . A 36 LEU CA . 19003 1 313 . 1 1 28 28 LEU CB C 13 46.374 0.000 . 1 . . . A 36 LEU CB . 19003 1 314 . 1 1 28 28 LEU CG C 13 26.150 0.000 . 1 . . . A 36 LEU CG . 19003 1 315 . 1 1 28 28 LEU CD1 C 13 22.538 0.000 . 1 . . . A 36 LEU CD1 . 19003 1 316 . 1 1 28 28 LEU CD2 C 13 25.700 0.000 . 1 . . . A 36 LEU CD2 . 19003 1 317 . 1 1 28 28 LEU N N 15 118.727 0.000 . 1 . . . A 36 LEU N . 19003 1 318 . 1 1 29 29 ASP H H 1 8.403 0.000 . 1 . . . A 37 ASP H . 19003 1 319 . 1 1 29 29 ASP HA H 1 4.740 0.000 . 1 . . . A 37 ASP HA . 19003 1 320 . 1 1 29 29 ASP HB2 H 1 2.333 0.000 . 2 . . . A 37 ASP HB2 . 19003 1 321 . 1 1 29 29 ASP HB3 H 1 2.574 0.000 . 2 . . . A 37 ASP HB3 . 19003 1 322 . 1 1 29 29 ASP C C 13 175.921 0.000 . 1 . . . A 37 ASP C . 19003 1 323 . 1 1 29 29 ASP CA C 13 52.791 0.000 . 1 . . . A 37 ASP CA . 19003 1 324 . 1 1 29 29 ASP CB C 13 41.300 0.000 . 1 . . . A 37 ASP CB . 19003 1 325 . 1 1 29 29 ASP N N 15 121.035 0.000 . 1 . . . A 37 ASP N . 19003 1 326 . 1 1 30 30 LEU H H 1 7.515 0.000 . 1 . . . A 38 LEU H . 19003 1 327 . 1 1 30 30 LEU HA H 1 4.661 0.000 . 1 . . . A 38 LEU HA . 19003 1 328 . 1 1 30 30 LEU HB2 H 1 2.045 0.000 . 2 . . . A 38 LEU HB2 . 19003 1 329 . 1 1 30 30 LEU HB3 H 1 1.945 0.000 . 2 . . . A 38 LEU HB3 . 19003 1 330 . 1 1 30 30 LEU HG H 1 1.107 0.000 . 1 . . . A 38 LEU HG . 19003 1 331 . 1 1 30 30 LEU HD11 H 1 1.049 0.000 . 2 . . . A 38 LEU HD11 . 19003 1 332 . 1 1 30 30 LEU HD12 H 1 1.049 0.000 . 2 . . . A 38 LEU HD12 . 19003 1 333 . 1 1 30 30 LEU HD13 H 1 1.049 0.000 . 2 . . . A 38 LEU HD13 . 19003 1 334 . 1 1 30 30 LEU HD21 H 1 1.016 0.000 . 2 . . . A 38 LEU HD21 . 19003 1 335 . 1 1 30 30 LEU HD22 H 1 1.016 0.000 . 2 . . . A 38 LEU HD22 . 19003 1 336 . 1 1 30 30 LEU HD23 H 1 1.016 0.000 . 2 . . . A 38 LEU HD23 . 19003 1 337 . 1 1 30 30 LEU C C 13 180.209 0.000 . 1 . . . A 38 LEU C . 19003 1 338 . 1 1 30 30 LEU CA C 13 55.308 0.000 . 1 . . . A 38 LEU CA . 19003 1 339 . 1 1 30 30 LEU CB C 13 43.210 0.000 . 1 . . . A 38 LEU CB . 19003 1 340 . 1 1 30 30 LEU CG C 13 26.657 0.000 . 1 . . . A 38 LEU CG . 19003 1 341 . 1 1 30 30 LEU CD1 C 13 23.132 0.000 . 1 . . . A 38 LEU CD1 . 19003 1 342 . 1 1 30 30 LEU CD2 C 13 22.585 0.000 . 1 . . . A 38 LEU CD2 . 19003 1 343 . 1 1 30 30 LEU N N 15 119.070 0.000 . 1 . . . A 38 LEU N . 19003 1 344 . 1 1 31 31 SER H H 1 9.706 0.000 . 1 . . . A 39 SER H . 19003 1 345 . 1 1 31 31 SER HA H 1 4.663 0.000 . 1 . . . A 39 SER HA . 19003 1 346 . 1 1 31 31 SER HB2 H 1 4.191 0.000 . 2 . . . A 39 SER HB2 . 19003 1 347 . 1 1 31 31 SER HB3 H 1 4.433 0.000 . 2 . . . A 39 SER HB3 . 19003 1 348 . 1 1 31 31 SER C C 13 174.730 0.000 . 1 . . . A 39 SER C . 19003 1 349 . 1 1 31 31 SER CA C 13 57.343 0.000 . 1 . . . A 39 SER CA . 19003 1 350 . 1 1 31 31 SER CB C 13 64.879 0.000 . 1 . . . A 39 SER CB . 19003 1 351 . 1 1 31 31 SER N N 15 122.093 0.000 . 1 . . . A 39 SER N . 19003 1 352 . 1 1 32 32 VAL H H 1 8.742 0.000 . 1 . . . A 40 VAL H . 19003 1 353 . 1 1 32 32 VAL HA H 1 2.668 0.000 . 1 . . . A 40 VAL HA . 19003 1 354 . 1 1 32 32 VAL HB H 1 0.886 0.000 . 1 . . . A 40 VAL HB . 19003 1 355 . 1 1 32 32 VAL HG11 H 1 0.428 0.000 . 2 . . . A 40 VAL HG11 . 19003 1 356 . 1 1 32 32 VAL HG12 H 1 0.428 0.000 . 2 . . . A 40 VAL HG12 . 19003 1 357 . 1 1 32 32 VAL HG13 H 1 0.428 0.000 . 2 . . . A 40 VAL HG13 . 19003 1 358 . 1 1 32 32 VAL HG21 H 1 -0.113 0.000 . 2 . . . A 40 VAL HG21 . 19003 1 359 . 1 1 32 32 VAL HG22 H 1 -0.113 0.000 . 2 . . . A 40 VAL HG22 . 19003 1 360 . 1 1 32 32 VAL HG23 H 1 -0.113 0.000 . 2 . . . A 40 VAL HG23 . 19003 1 361 . 1 1 32 32 VAL C C 13 177.187 0.000 . 1 . . . A 40 VAL C . 19003 1 362 . 1 1 32 32 VAL CA C 13 66.372 0.000 . 1 . . . A 40 VAL CA . 19003 1 363 . 1 1 32 32 VAL CB C 13 30.853 0.000 . 1 . . . A 40 VAL CB . 19003 1 364 . 1 1 32 32 VAL CG1 C 13 21.108 0.000 . 1 . . . A 40 VAL CG1 . 19003 1 365 . 1 1 32 32 VAL CG2 C 13 21.194 0.000 . 1 . . . A 40 VAL CG2 . 19003 1 366 . 1 1 32 32 VAL N N 15 122.917 0.000 . 1 . . . A 40 VAL N . 19003 1 367 . 1 1 33 33 GLU H H 1 8.725 0.000 . 1 . . . A 41 GLU H . 19003 1 368 . 1 1 33 33 GLU HA H 1 3.815 0.000 . 1 . . . A 41 GLU HA . 19003 1 369 . 1 1 33 33 GLU HB2 H 1 1.852 0.000 . 2 . . . A 41 GLU HB2 . 19003 1 370 . 1 1 33 33 GLU HB3 H 1 1.954 0.000 . 2 . . . A 41 GLU HB3 . 19003 1 371 . 1 1 33 33 GLU HG2 H 1 2.142 0.000 . 2 . . . A 41 GLU HG2 . 19003 1 372 . 1 1 33 33 GLU HG3 H 1 2.375 0.000 . 2 . . . A 41 GLU HG3 . 19003 1 373 . 1 1 33 33 GLU C C 13 179.108 0.000 . 1 . . . A 41 GLU C . 19003 1 374 . 1 1 33 33 GLU CA C 13 60.734 0.000 . 1 . . . A 41 GLU CA . 19003 1 375 . 1 1 33 33 GLU CB C 13 28.888 0.000 . 1 . . . A 41 GLU CB . 19003 1 376 . 1 1 33 33 GLU CG C 13 36.957 0.000 . 1 . . . A 41 GLU CG . 19003 1 377 . 1 1 33 33 GLU N N 15 118.661 0.000 . 1 . . . A 41 GLU N . 19003 1 378 . 1 1 34 34 ASP H H 1 7.979 0.000 . 1 . . . A 42 ASP H . 19003 1 379 . 1 1 34 34 ASP HA H 1 4.424 0.000 . 1 . . . A 42 ASP HA . 19003 1 380 . 1 1 34 34 ASP HB2 H 1 2.623 0.000 . 2 . . . A 42 ASP HB2 . 19003 1 381 . 1 1 34 34 ASP HB3 H 1 2.891 0.000 . 2 . . . A 42 ASP HB3 . 19003 1 382 . 1 1 34 34 ASP C C 13 179.703 0.000 . 1 . . . A 42 ASP C . 19003 1 383 . 1 1 34 34 ASP CA C 13 57.443 0.000 . 1 . . . A 42 ASP CA . 19003 1 384 . 1 1 34 34 ASP CB C 13 40.007 0.000 . 1 . . . A 42 ASP CB . 19003 1 385 . 1 1 34 34 ASP N N 15 120.291 0.000 . 1 . . . A 42 ASP N . 19003 1 386 . 1 1 35 35 PHE H H 1 8.656 0.000 . 1 . . . A 43 PHE H . 19003 1 387 . 1 1 35 35 PHE HA H 1 4.010 0.000 . 1 . . . A 43 PHE HA . 19003 1 388 . 1 1 35 35 PHE HB2 H 1 3.301 0.000 . 2 . . . A 43 PHE HB2 . 19003 1 389 . 1 1 35 35 PHE HB3 H 1 3.317 0.000 . 2 . . . A 43 PHE HB3 . 19003 1 390 . 1 1 35 35 PHE HD1 H 1 6.890 0.000 . 3 . . . A 43 PHE HD1 . 19003 1 391 . 1 1 35 35 PHE HD2 H 1 6.890 0.000 . 3 . . . A 43 PHE HD2 . 19003 1 392 . 1 1 35 35 PHE HE1 H 1 7.240 0.000 . 3 . . . A 43 PHE HE1 . 19003 1 393 . 1 1 35 35 PHE HE2 H 1 7.240 0.000 . 3 . . . A 43 PHE HE2 . 19003 1 394 . 1 1 35 35 PHE HZ H 1 7.680 0.000 . 1 . . . A 43 PHE HZ . 19003 1 395 . 1 1 35 35 PHE C C 13 175.459 0.000 . 1 . . . A 43 PHE C . 19003 1 396 . 1 1 35 35 PHE CA C 13 61.148 0.000 . 1 . . . A 43 PHE CA . 19003 1 397 . 1 1 35 35 PHE CB C 13 39.733 0.000 . 1 . . . A 43 PHE CB . 19003 1 398 . 1 1 35 35 PHE CD1 C 13 132.788 0.000 . 3 . . . A 43 PHE CD1 . 19003 1 399 . 1 1 35 35 PHE CD2 C 13 132.788 0.000 . 3 . . . A 43 PHE CD2 . 19003 1 400 . 1 1 35 35 PHE CE1 C 13 131.088 0.000 . 3 . . . A 43 PHE CE1 . 19003 1 401 . 1 1 35 35 PHE CE2 C 13 131.088 0.000 . 3 . . . A 43 PHE CE2 . 19003 1 402 . 1 1 35 35 PHE CZ C 13 130.188 0.000 . 1 . . . A 43 PHE CZ . 19003 1 403 . 1 1 35 35 PHE N N 15 123.091 0.000 . 1 . . . A 43 PHE N . 19003 1 404 . 1 1 36 36 LEU H H 1 8.702 0.000 . 1 . . . A 44 LEU H . 19003 1 405 . 1 1 36 36 LEU HA H 1 3.430 0.000 . 1 . . . A 44 LEU HA . 19003 1 406 . 1 1 36 36 LEU HB2 H 1 1.218 0.000 . 2 . . . A 44 LEU HB2 . 19003 1 407 . 1 1 36 36 LEU HB3 H 1 1.781 0.000 . 2 . . . A 44 LEU HB3 . 19003 1 408 . 1 1 36 36 LEU HG H 1 1.887 0.000 . 1 . . . A 44 LEU HG . 19003 1 409 . 1 1 36 36 LEU HD11 H 1 0.731 0.000 . 2 . . . A 44 LEU HD11 . 19003 1 410 . 1 1 36 36 LEU HD12 H 1 0.731 0.000 . 2 . . . A 44 LEU HD12 . 19003 1 411 . 1 1 36 36 LEU HD13 H 1 0.731 0.000 . 2 . . . A 44 LEU HD13 . 19003 1 412 . 1 1 36 36 LEU HD21 H 1 0.772 0.000 . 2 . . . A 44 LEU HD21 . 19003 1 413 . 1 1 36 36 LEU HD22 H 1 0.772 0.000 . 2 . . . A 44 LEU HD22 . 19003 1 414 . 1 1 36 36 LEU HD23 H 1 0.772 0.000 . 2 . . . A 44 LEU HD23 . 19003 1 415 . 1 1 36 36 LEU C C 13 180.537 0.000 . 1 . . . A 44 LEU C . 19003 1 416 . 1 1 36 36 LEU CA C 13 57.716 0.000 . 1 . . . A 44 LEU CA . 19003 1 417 . 1 1 36 36 LEU CB C 13 41.225 0.000 . 1 . . . A 44 LEU CB . 19003 1 418 . 1 1 36 36 LEU CG C 13 26.487 0.000 . 1 . . . A 44 LEU CG . 19003 1 419 . 1 1 36 36 LEU CD1 C 13 26.120 0.000 . 1 . . . A 44 LEU CD1 . 19003 1 420 . 1 1 36 36 LEU CD2 C 13 21.911 0.000 . 1 . . . A 44 LEU CD2 . 19003 1 421 . 1 1 36 36 LEU N N 15 119.965 0.000 . 1 . . . A 44 LEU N . 19003 1 422 . 1 1 37 37 MET H H 1 7.829 0.000 . 1 . . . A 45 MET H . 19003 1 423 . 1 1 37 37 MET HA H 1 4.117 0.000 . 1 . . . A 45 MET HA . 19003 1 424 . 1 1 37 37 MET HB2 H 1 2.082 0.000 . 2 . . . A 45 MET HB2 . 19003 1 425 . 1 1 37 37 MET HB3 H 1 2.082 0.000 . 2 . . . A 45 MET HB3 . 19003 1 426 . 1 1 37 37 MET HG2 H 1 2.501 0.000 . 2 . . . A 45 MET HG2 . 19003 1 427 . 1 1 37 37 MET HG3 H 1 2.654 0.000 . 2 . . . A 45 MET HG3 . 19003 1 428 . 1 1 37 37 MET C C 13 178.274 0.000 . 1 . . . A 45 MET C . 19003 1 429 . 1 1 37 37 MET CA C 13 58.421 0.000 . 1 . . . A 45 MET CA . 19003 1 430 . 1 1 37 37 MET CB C 13 32.268 0.000 . 1 . . . A 45 MET CB . 19003 1 431 . 1 1 37 37 MET CG C 13 32.446 0.000 . 1 . . . A 45 MET CG . 19003 1 432 . 1 1 37 37 MET N N 15 118.100 0.000 . 1 . . . A 45 MET N . 19003 1 433 . 1 1 38 38 LEU H H 1 7.659 0.000 . 1 . . . A 46 LEU H . 19003 1 434 . 1 1 38 38 LEU HA H 1 3.842 0.000 . 1 . . . A 46 LEU HA . 19003 1 435 . 1 1 38 38 LEU HB2 H 1 1.358 0.000 . 2 . . . A 46 LEU HB2 . 19003 1 436 . 1 1 38 38 LEU HB3 H 1 1.567 0.000 . 2 . . . A 46 LEU HB3 . 19003 1 437 . 1 1 38 38 LEU HG H 1 1.128 0.000 . 1 . . . A 46 LEU HG . 19003 1 438 . 1 1 38 38 LEU HD11 H 1 0.837 0.000 . 2 . . . A 46 LEU HD11 . 19003 1 439 . 1 1 38 38 LEU HD12 H 1 0.837 0.000 . 2 . . . A 46 LEU HD12 . 19003 1 440 . 1 1 38 38 LEU HD13 H 1 0.837 0.000 . 2 . . . A 46 LEU HD13 . 19003 1 441 . 1 1 38 38 LEU HD21 H 1 0.712 0.000 . 2 . . . A 46 LEU HD21 . 19003 1 442 . 1 1 38 38 LEU HD22 H 1 0.712 0.000 . 2 . . . A 46 LEU HD22 . 19003 1 443 . 1 1 38 38 LEU HD23 H 1 0.712 0.000 . 2 . . . A 46 LEU HD23 . 19003 1 444 . 1 1 38 38 LEU C C 13 176.531 0.000 . 1 . . . A 46 LEU C . 19003 1 445 . 1 1 38 38 LEU CA C 13 57.618 0.000 . 1 . . . A 46 LEU CA . 19003 1 446 . 1 1 38 38 LEU CB C 13 41.793 0.000 . 1 . . . A 46 LEU CB . 19003 1 447 . 1 1 38 38 LEU CG C 13 26.745 0.000 . 1 . . . A 46 LEU CG . 19003 1 448 . 1 1 38 38 LEU CD1 C 13 26.568 0.000 . 1 . . . A 46 LEU CD1 . 19003 1 449 . 1 1 38 38 LEU CD2 C 13 22.200 0.000 . 1 . . . A 46 LEU CD2 . 19003 1 450 . 1 1 38 38 LEU N N 15 123.359 0.000 . 1 . . . A 46 LEU N . 19003 1 451 . 1 1 39 39 ARG H H 1 7.955 0.000 . 1 . . . A 47 ARG H . 19003 1 452 . 1 1 39 39 ARG HA H 1 2.751 0.000 . 1 . . . A 47 ARG HA . 19003 1 453 . 1 1 39 39 ARG HB2 H 1 0.733 0.000 . 2 . . . A 47 ARG HB2 . 19003 1 454 . 1 1 39 39 ARG HB3 H 1 1.103 0.000 . 2 . . . A 47 ARG HB3 . 19003 1 455 . 1 1 39 39 ARG HG2 H 1 1.153 0.000 . 2 . . . A 47 ARG HG2 . 19003 1 456 . 1 1 39 39 ARG HG3 H 1 1.198 0.000 . 2 . . . A 47 ARG HG3 . 19003 1 457 . 1 1 39 39 ARG HD2 H 1 2.774 0.000 . 2 . . . A 47 ARG HD2 . 19003 1 458 . 1 1 39 39 ARG HD3 H 1 2.774 0.000 . 2 . . . A 47 ARG HD3 . 19003 1 459 . 1 1 39 39 ARG HE H 1 7.901 0.000 . 1 . . . A 47 ARG HE . 19003 1 460 . 1 1 39 39 ARG C C 13 178.363 0.000 . 1 . . . A 47 ARG C . 19003 1 461 . 1 1 39 39 ARG CA C 13 58.004 0.000 . 1 . . . A 47 ARG CA . 19003 1 462 . 1 1 39 39 ARG CB C 13 30.107 0.000 . 1 . . . A 47 ARG CB . 19003 1 463 . 1 1 39 39 ARG CG C 13 26.478 0.000 . 1 . . . A 47 ARG CG . 19003 1 464 . 1 1 39 39 ARG CD C 13 44.211 0.000 . 1 . . . A 47 ARG CD . 19003 1 465 . 1 1 39 39 ARG N N 15 118.271 0.000 . 1 . . . A 47 ARG N . 19003 1 466 . 1 1 39 39 ARG NE N 15 84.584 0.000 . 1 . . . A 47 ARG NE . 19003 1 467 . 1 1 40 40 HIS H H 1 7.609 0.000 . 1 . . . A 48 HIS H . 19003 1 468 . 1 1 40 40 HIS HA H 1 4.225 0.000 . 1 . . . A 48 HIS HA . 19003 1 469 . 1 1 40 40 HIS HB2 H 1 3.119 0.000 . 2 . . . A 48 HIS HB2 . 19003 1 470 . 1 1 40 40 HIS HB3 H 1 3.119 0.000 . 2 . . . A 48 HIS HB3 . 19003 1 471 . 1 1 40 40 HIS HD2 H 1 6.970 0.000 . 1 . . . A 48 HIS HD2 . 19003 1 472 . 1 1 40 40 HIS HE2 H 1 7.850 0.000 . 1 . . . A 48 HIS HE2 . 19003 1 473 . 1 1 40 40 HIS C C 13 177.097 0.000 . 1 . . . A 48 HIS C . 19003 1 474 . 1 1 40 40 HIS CA C 13 59.311 0.000 . 1 . . . A 48 HIS CA . 19003 1 475 . 1 1 40 40 HIS CB C 13 30.578 0.000 . 1 . . . A 48 HIS CB . 19003 1 476 . 1 1 40 40 HIS CD2 C 13 119.188 0.000 . 1 . . . A 48 HIS CD2 . 19003 1 477 . 1 1 40 40 HIS CE1 C 13 137.988 0.000 . 1 . . . A 48 HIS CE1 . 19003 1 478 . 1 1 40 40 HIS N N 15 117.915 0.000 . 1 . . . A 48 HIS N . 19003 1 479 . 1 1 41 41 ARG H H 1 7.980 0.000 . 1 . . . A 49 ARG H . 19003 1 480 . 1 1 41 41 ARG HA H 1 3.978 0.000 . 1 . . . A 49 ARG HA . 19003 1 481 . 1 1 41 41 ARG HB2 H 1 1.720 0.000 . 2 . . . A 49 ARG HB2 . 19003 1 482 . 1 1 41 41 ARG HB3 H 1 1.881 0.000 . 2 . . . A 49 ARG HB3 . 19003 1 483 . 1 1 41 41 ARG HG2 H 1 1.463 0.000 . 2 . . . A 49 ARG HG2 . 19003 1 484 . 1 1 41 41 ARG HG3 H 1 1.868 0.000 . 2 . . . A 49 ARG HG3 . 19003 1 485 . 1 1 41 41 ARG HD2 H 1 2.978 0.000 . 2 . . . A 49 ARG HD2 . 19003 1 486 . 1 1 41 41 ARG HD3 H 1 3.266 0.000 . 2 . . . A 49 ARG HD3 . 19003 1 487 . 1 1 41 41 ARG HE H 1 8.520 0.000 . 1 . . . A 49 ARG HE . 19003 1 488 . 1 1 41 41 ARG C C 13 179.242 0.000 . 1 . . . A 49 ARG C . 19003 1 489 . 1 1 41 41 ARG CA C 13 59.059 0.000 . 1 . . . A 49 ARG CA . 19003 1 490 . 1 1 41 41 ARG CB C 13 28.690 0.000 . 1 . . . A 49 ARG CB . 19003 1 491 . 1 1 41 41 ARG CG C 13 28.180 0.000 . 1 . . . A 49 ARG CG . 19003 1 492 . 1 1 41 41 ARG CD C 13 42.689 0.000 . 1 . . . A 49 ARG CD . 19003 1 493 . 1 1 41 41 ARG N N 15 116.831 0.000 . 1 . . . A 49 ARG N . 19003 1 494 . 1 1 41 41 ARG NE N 15 85.017 0.000 . 1 . . . A 49 ARG NE . 19003 1 495 . 1 1 42 42 ALA H H 1 8.734 0.000 . 1 . . . A 50 ALA H . 19003 1 496 . 1 1 42 42 ALA HA H 1 3.980 0.000 . 1 . . . A 50 ALA HA . 19003 1 497 . 1 1 42 42 ALA HB1 H 1 1.498 0.000 . 1 . . . A 50 ALA HB1 . 19003 1 498 . 1 1 42 42 ALA HB2 H 1 1.498 0.000 . 1 . . . A 50 ALA HB2 . 19003 1 499 . 1 1 42 42 ALA HB3 H 1 1.498 0.000 . 1 . . . A 50 ALA HB3 . 19003 1 500 . 1 1 42 42 ALA C C 13 181.207 0.000 . 1 . . . A 50 ALA C . 19003 1 501 . 1 1 42 42 ALA CA C 13 55.041 0.000 . 1 . . . A 50 ALA CA . 19003 1 502 . 1 1 42 42 ALA CB C 13 19.192 0.000 . 1 . . . A 50 ALA CB . 19003 1 503 . 1 1 42 42 ALA N N 15 122.916 0.000 . 1 . . . A 50 ALA N . 19003 1 504 . 1 1 43 43 ALA H H 1 7.861 0.000 . 1 . . . A 51 ALA H . 19003 1 505 . 1 1 43 43 ALA HA H 1 4.113 0.000 . 1 . . . A 51 ALA HA . 19003 1 506 . 1 1 43 43 ALA HB1 H 1 1.400 0.000 . 1 . . . A 51 ALA HB1 . 19003 1 507 . 1 1 43 43 ALA HB2 H 1 1.400 0.000 . 1 . . . A 51 ALA HB2 . 19003 1 508 . 1 1 43 43 ALA HB3 H 1 1.400 0.000 . 1 . . . A 51 ALA HB3 . 19003 1 509 . 1 1 43 43 ALA C C 13 179.033 0.000 . 1 . . . A 51 ALA C . 19003 1 510 . 1 1 43 43 ALA CA C 13 54.582 0.000 . 1 . . . A 51 ALA CA . 19003 1 511 . 1 1 43 43 ALA CB C 13 18.019 0.000 . 1 . . . A 51 ALA CB . 19003 1 512 . 1 1 43 43 ALA N N 15 122.005 0.000 . 1 . . . A 51 ALA N . 19003 1 513 . 1 1 44 44 LEU H H 1 7.277 0.000 . 1 . . . A 52 LEU H . 19003 1 514 . 1 1 44 44 LEU HA H 1 4.258 0.000 . 1 . . . A 52 LEU HA . 19003 1 515 . 1 1 44 44 LEU HB2 H 1 1.610 0.000 . 2 . . . A 52 LEU HB2 . 19003 1 516 . 1 1 44 44 LEU HB3 H 1 1.623 0.000 . 2 . . . A 52 LEU HB3 . 19003 1 517 . 1 1 44 44 LEU HG H 1 1.477 0.000 . 1 . . . A 52 LEU HG . 19003 1 518 . 1 1 44 44 LEU HD11 H 1 0.580 0.000 . 2 . . . A 52 LEU HD11 . 19003 1 519 . 1 1 44 44 LEU HD12 H 1 0.580 0.000 . 2 . . . A 52 LEU HD12 . 19003 1 520 . 1 1 44 44 LEU HD13 H 1 0.580 0.000 . 2 . . . A 52 LEU HD13 . 19003 1 521 . 1 1 44 44 LEU HD21 H 1 0.703 0.000 . 2 . . . A 52 LEU HD21 . 19003 1 522 . 1 1 44 44 LEU HD22 H 1 0.703 0.000 . 2 . . . A 52 LEU HD22 . 19003 1 523 . 1 1 44 44 LEU HD23 H 1 0.703 0.000 . 2 . . . A 52 LEU HD23 . 19003 1 524 . 1 1 44 44 LEU C C 13 177.842 0.000 . 1 . . . A 52 LEU C . 19003 1 525 . 1 1 44 44 LEU CA C 13 54.623 0.000 . 1 . . . A 52 LEU CA . 19003 1 526 . 1 1 44 44 LEU CB C 13 41.609 0.000 . 1 . . . A 52 LEU CB . 19003 1 527 . 1 1 44 44 LEU CG C 13 26.478 0.000 . 1 . . . A 52 LEU CG . 19003 1 528 . 1 1 44 44 LEU CD1 C 13 24.956 0.000 . 1 . . . A 52 LEU CD1 . 19003 1 529 . 1 1 44 44 LEU CD2 C 13 22.538 0.000 . 1 . . . A 52 LEU CD2 . 19003 1 530 . 1 1 44 44 LEU N N 15 117.205 0.000 . 1 . . . A 52 LEU N . 19003 1 531 . 1 1 45 45 GLY H H 1 7.616 0.000 . 1 . . . A 53 GLY H . 19003 1 532 . 1 1 45 45 GLY HA2 H 1 3.662 0.000 . 2 . . . A 53 GLY HA2 . 19003 1 533 . 1 1 45 45 GLY HA3 H 1 4.168 0.000 . 2 . . . A 53 GLY HA3 . 19003 1 534 . 1 1 45 45 GLY C C 13 174.745 0.000 . 1 . . . A 53 GLY C . 19003 1 535 . 1 1 45 45 GLY CA C 13 45.523 0.000 . 1 . . . A 53 GLY CA . 19003 1 536 . 1 1 45 45 GLY N N 15 105.824 0.000 . 1 . . . A 53 GLY N . 19003 1 537 . 1 1 46 46 ALA H H 1 7.637 0.000 . 1 . . . A 54 ALA H . 19003 1 538 . 1 1 46 46 ALA HA H 1 4.227 0.000 . 1 . . . A 54 ALA HA . 19003 1 539 . 1 1 46 46 ALA HB1 H 1 1.306 0.000 . 1 . . . A 54 ALA HB1 . 19003 1 540 . 1 1 46 46 ALA HB2 H 1 1.306 0.000 . 1 . . . A 54 ALA HB2 . 19003 1 541 . 1 1 46 46 ALA HB3 H 1 1.306 0.000 . 1 . . . A 54 ALA HB3 . 19003 1 542 . 1 1 46 46 ALA C C 13 178.035 0.000 . 1 . . . A 54 ALA C . 19003 1 543 . 1 1 46 46 ALA CA C 13 53.440 0.000 . 1 . . . A 54 ALA CA . 19003 1 544 . 1 1 46 46 ALA CB C 13 19.725 0.000 . 1 . . . A 54 ALA CB . 19003 1 545 . 1 1 46 46 ALA N N 15 122.086 0.000 . 1 . . . A 54 ALA N . 19003 1 546 . 1 1 47 47 ASP H H 1 8.540 0.000 . 1 . . . A 55 ASP H . 19003 1 547 . 1 1 47 47 ASP HA H 1 4.746 0.000 . 1 . . . A 55 ASP HA . 19003 1 548 . 1 1 47 47 ASP HB2 H 1 2.622 0.000 . 2 . . . A 55 ASP HB2 . 19003 1 549 . 1 1 47 47 ASP HB3 H 1 2.836 0.000 . 2 . . . A 55 ASP HB3 . 19003 1 550 . 1 1 47 47 ASP C C 13 176.129 0.000 . 1 . . . A 55 ASP C . 19003 1 551 . 1 1 47 47 ASP CA C 13 52.995 0.000 . 1 . . . A 55 ASP CA . 19003 1 552 . 1 1 47 47 ASP CB C 13 41.342 0.000 . 1 . . . A 55 ASP CB . 19003 1 553 . 1 1 47 47 ASP N N 15 118.303 0.000 . 1 . . . A 55 ASP N . 19003 1 554 . 1 1 48 48 ASP H H 1 7.469 0.000 . 1 . . . A 56 ASP H . 19003 1 555 . 1 1 48 48 ASP HA H 1 4.613 0.000 . 1 . . . A 56 ASP HA . 19003 1 556 . 1 1 48 48 ASP HB2 H 1 2.695 0.000 . 2 . . . A 56 ASP HB2 . 19003 1 557 . 1 1 48 48 ASP HB3 H 1 2.889 0.000 . 2 . . . A 56 ASP HB3 . 19003 1 558 . 1 1 48 48 ASP C C 13 175.638 0.000 . 1 . . . A 56 ASP C . 19003 1 559 . 1 1 48 48 ASP CA C 13 53.529 0.000 . 1 . . . A 56 ASP CA . 19003 1 560 . 1 1 48 48 ASP CB C 13 42.053 0.000 . 1 . . . A 56 ASP CB . 19003 1 561 . 1 1 48 48 ASP N N 15 116.381 0.000 . 1 . . . A 56 ASP N . 19003 1 562 . 1 1 49 49 ASN H H 1 9.033 0.000 . 1 . . . A 57 ASN H . 19003 1 563 . 1 1 49 49 ASN HA H 1 4.331 0.000 . 1 . . . A 57 ASN HA . 19003 1 564 . 1 1 49 49 ASN HB2 H 1 2.794 0.000 . 2 . . . A 57 ASN HB2 . 19003 1 565 . 1 1 49 49 ASN HB3 H 1 2.892 0.000 . 2 . . . A 57 ASN HB3 . 19003 1 566 . 1 1 49 49 ASN HD21 H 1 7.855 0.000 . 2 . . . A 57 ASN HD21 . 19003 1 567 . 1 1 49 49 ASN HD22 H 1 7.112 0.000 . 2 . . . A 57 ASN HD22 . 19003 1 568 . 1 1 49 49 ASN C C 13 176.963 0.000 . 1 . . . A 57 ASN C . 19003 1 569 . 1 1 49 49 ASN CA C 13 57.354 0.000 . 1 . . . A 57 ASN CA . 19003 1 570 . 1 1 49 49 ASN CB C 13 39.296 0.000 . 1 . . . A 57 ASN CB . 19003 1 571 . 1 1 49 49 ASN N N 15 118.913 0.000 . 1 . . . A 57 ASN N . 19003 1 572 . 1 1 49 49 ASN ND2 N 15 113.940 0.000 . 1 . . . A 57 ASN ND2 . 19003 1 573 . 1 1 50 50 ASP H H 1 8.519 0.000 . 1 . . . A 58 ASP H . 19003 1 574 . 1 1 50 50 ASP HA H 1 4.485 0.000 . 1 . . . A 58 ASP HA . 19003 1 575 . 1 1 50 50 ASP HB2 H 1 2.526 0.000 . 2 . . . A 58 ASP HB2 . 19003 1 576 . 1 1 50 50 ASP HB3 H 1 2.615 0.000 . 2 . . . A 58 ASP HB3 . 19003 1 577 . 1 1 50 50 ASP C C 13 178.944 0.000 . 1 . . . A 58 ASP C . 19003 1 578 . 1 1 50 50 ASP CA C 13 57.621 0.000 . 1 . . . A 58 ASP CA . 19003 1 579 . 1 1 50 50 ASP CB C 13 40.007 0.000 . 1 . . . A 58 ASP CB . 19003 1 580 . 1 1 50 50 ASP N N 15 117.610 0.000 . 1 . . . A 58 ASP N . 19003 1 581 . 1 1 51 51 ALA H H 1 8.067 0.000 . 1 . . . A 59 ALA H . 19003 1 582 . 1 1 51 51 ALA HA H 1 3.978 0.000 . 1 . . . A 59 ALA HA . 19003 1 583 . 1 1 51 51 ALA HB1 H 1 1.303 0.000 . 1 . . . A 59 ALA HB1 . 19003 1 584 . 1 1 51 51 ALA HB2 H 1 1.303 0.000 . 1 . . . A 59 ALA HB2 . 19003 1 585 . 1 1 51 51 ALA HB3 H 1 1.303 0.000 . 1 . . . A 59 ALA HB3 . 19003 1 586 . 1 1 51 51 ALA C C 13 178.974 0.000 . 1 . . . A 59 ALA C . 19003 1 587 . 1 1 51 51 ALA CA C 13 55.752 0.000 . 1 . . . A 59 ALA CA . 19003 1 588 . 1 1 51 51 ALA CB C 13 19.103 0.000 . 1 . . . A 59 ALA CB . 19003 1 589 . 1 1 51 51 ALA N N 15 126.800 0.000 . 1 . . . A 59 ALA N . 19003 1 590 . 1 1 52 52 VAL H H 1 8.370 0.000 . 1 . . . A 60 VAL H . 19003 1 591 . 1 1 52 52 VAL HA H 1 3.589 0.000 . 1 . . . A 60 VAL HA . 19003 1 592 . 1 1 52 52 VAL HB H 1 2.204 0.000 . 1 . . . A 60 VAL HB . 19003 1 593 . 1 1 52 52 VAL HG11 H 1 1.002 0.000 . 2 . . . A 60 VAL HG11 . 19003 1 594 . 1 1 52 52 VAL HG12 H 1 1.002 0.000 . 2 . . . A 60 VAL HG12 . 19003 1 595 . 1 1 52 52 VAL HG13 H 1 1.002 0.000 . 2 . . . A 60 VAL HG13 . 19003 1 596 . 1 1 52 52 VAL HG21 H 1 0.984 0.000 . 2 . . . A 60 VAL HG21 . 19003 1 597 . 1 1 52 52 VAL HG22 H 1 0.984 0.000 . 2 . . . A 60 VAL HG22 . 19003 1 598 . 1 1 52 52 VAL HG23 H 1 0.984 0.000 . 2 . . . A 60 VAL HG23 . 19003 1 599 . 1 1 52 52 VAL C C 13 179.934 0.000 . 1 . . . A 60 VAL C . 19003 1 600 . 1 1 52 52 VAL CA C 13 66.745 0.000 . 1 . . . A 60 VAL CA . 19003 1 601 . 1 1 52 52 VAL CB C 13 32.121 0.000 . 1 . . . A 60 VAL CB . 19003 1 602 . 1 1 52 52 VAL CG1 C 13 22.717 0.000 . 1 . . . A 60 VAL CG1 . 19003 1 603 . 1 1 52 52 VAL CG2 C 13 21.015 0.000 . 1 . . . A 60 VAL CG2 . 19003 1 604 . 1 1 52 52 VAL N N 15 119.673 0.000 . 1 . . . A 60 VAL N . 19003 1 605 . 1 1 53 53 LYS H H 1 8.383 0.000 . 1 . . . A 61 LYS H . 19003 1 606 . 1 1 53 53 LYS HA H 1 4.202 0.000 . 1 . . . A 61 LYS HA . 19003 1 607 . 1 1 53 53 LYS HB2 H 1 1.893 0.000 . 2 . . . A 61 LYS HB2 . 19003 1 608 . 1 1 53 53 LYS HB3 H 1 2.059 0.000 . 2 . . . A 61 LYS HB3 . 19003 1 609 . 1 1 53 53 LYS HG2 H 1 1.594 0.000 . 2 . . . A 61 LYS HG2 . 19003 1 610 . 1 1 53 53 LYS HG3 H 1 1.786 0.000 . 2 . . . A 61 LYS HG3 . 19003 1 611 . 1 1 53 53 LYS HD2 H 1 1.725 0.000 . 2 . . . A 61 LYS HD2 . 19003 1 612 . 1 1 53 53 LYS HD3 H 1 1.725 0.000 . 2 . . . A 61 LYS HD3 . 19003 1 613 . 1 1 53 53 LYS HE2 H 1 3.010 0.000 . 2 . . . A 61 LYS HE2 . 19003 1 614 . 1 1 53 53 LYS HE3 H 1 3.010 0.000 . 2 . . . A 61 LYS HE3 . 19003 1 615 . 1 1 53 53 LYS C C 13 180.135 0.000 . 1 . . . A 61 LYS C . 19003 1 616 . 1 1 53 53 LYS CA C 13 59.437 0.000 . 1 . . . A 61 LYS CA . 19003 1 617 . 1 1 53 53 LYS CB C 13 32.357 0.000 . 1 . . . A 61 LYS CB . 19003 1 618 . 1 1 53 53 LYS CG C 13 25.862 0.000 . 1 . . . A 61 LYS CG . 19003 1 619 . 1 1 53 53 LYS CD C 13 29.105 0.000 . 1 . . . A 61 LYS CD . 19003 1 620 . 1 1 53 53 LYS CE C 13 42.241 0.000 . 1 . . . A 61 LYS CE . 19003 1 621 . 1 1 53 53 LYS N N 15 119.673 0.000 . 1 . . . A 61 LYS N . 19003 1 622 . 1 1 54 54 PHE H H 1 8.510 0.000 . 1 . . . A 62 PHE H . 19003 1 623 . 1 1 54 54 PHE HA H 1 4.334 0.000 . 1 . . . A 62 PHE HA . 19003 1 624 . 1 1 54 54 PHE HB2 H 1 3.200 0.000 . 2 . . . A 62 PHE HB2 . 19003 1 625 . 1 1 54 54 PHE HB3 H 1 3.200 0.000 . 2 . . . A 62 PHE HB3 . 19003 1 626 . 1 1 54 54 PHE HD1 H 1 7.000 0.000 . 3 . . . A 62 PHE HD1 . 19003 1 627 . 1 1 54 54 PHE HD2 H 1 7.000 0.000 . 3 . . . A 62 PHE HD2 . 19003 1 628 . 1 1 54 54 PHE HE1 H 1 7.140 0.000 . 3 . . . A 62 PHE HE1 . 19003 1 629 . 1 1 54 54 PHE HE2 H 1 7.140 0.000 . 3 . . . A 62 PHE HE2 . 19003 1 630 . 1 1 54 54 PHE C C 13 177.038 0.000 . 1 . . . A 62 PHE C . 19003 1 631 . 1 1 54 54 PHE CA C 13 62.691 0.000 . 1 . . . A 62 PHE CA . 19003 1 632 . 1 1 54 54 PHE CB C 13 39.207 0.000 . 1 . . . A 62 PHE CB . 19003 1 633 . 1 1 54 54 PHE CD1 C 13 131.088 0.000 . 3 . . . A 62 PHE CD1 . 19003 1 634 . 1 1 54 54 PHE CD2 C 13 131.088 0.000 . 3 . . . A 62 PHE CD2 . 19003 1 635 . 1 1 54 54 PHE CE1 C 13 129.288 0.000 . 3 . . . A 62 PHE CE1 . 19003 1 636 . 1 1 54 54 PHE CE2 C 13 129.288 0.000 . 3 . . . A 62 PHE CE2 . 19003 1 637 . 1 1 54 54 PHE N N 15 122.324 0.000 . 1 . . . A 62 PHE N . 19003 1 638 . 1 1 55 55 ARG H H 1 8.724 0.000 . 1 . . . A 63 ARG H . 19003 1 639 . 1 1 55 55 ARG HA H 1 4.074 0.000 . 1 . . . A 63 ARG HA . 19003 1 640 . 1 1 55 55 ARG HB2 H 1 1.980 0.000 . 2 . . . A 63 ARG HB2 . 19003 1 641 . 1 1 55 55 ARG HB3 H 1 2.164 0.000 . 2 . . . A 63 ARG HB3 . 19003 1 642 . 1 1 55 55 ARG HG2 H 1 1.631 0.000 . 2 . . . A 63 ARG HG2 . 19003 1 643 . 1 1 55 55 ARG HG3 H 1 2.062 0.000 . 2 . . . A 63 ARG HG3 . 19003 1 644 . 1 1 55 55 ARG HD2 H 1 3.269 0.000 . 2 . . . A 63 ARG HD2 . 19003 1 645 . 1 1 55 55 ARG HD3 H 1 3.567 0.000 . 2 . . . A 63 ARG HD3 . 19003 1 646 . 1 1 55 55 ARG HE H 1 7.650 0.000 . 1 . . . A 63 ARG HE . 19003 1 647 . 1 1 55 55 ARG C C 13 178.586 0.000 . 1 . . . A 63 ARG C . 19003 1 648 . 1 1 55 55 ARG CA C 13 61.179 0.000 . 1 . . . A 63 ARG CA . 19003 1 649 . 1 1 55 55 ARG CB C 13 30.756 0.000 . 1 . . . A 63 ARG CB . 19003 1 650 . 1 1 55 55 ARG CG C 13 29.434 0.000 . 1 . . . A 63 ARG CG . 19003 1 651 . 1 1 55 55 ARG CD C 13 43.764 0.000 . 1 . . . A 63 ARG CD . 19003 1 652 . 1 1 55 55 ARG N N 15 119.741 0.000 . 1 . . . A 63 ARG N . 19003 1 653 . 1 1 55 55 ARG NE N 15 83.817 0.000 . 1 . . . A 63 ARG NE . 19003 1 654 . 1 1 56 56 SER H H 1 8.224 0.000 . 1 . . . A 64 SER H . 19003 1 655 . 1 1 56 56 SER HA H 1 4.324 0.000 . 1 . . . A 64 SER HA . 19003 1 656 . 1 1 56 56 SER HB2 H 1 4.024 0.000 . 2 . . . A 64 SER HB2 . 19003 1 657 . 1 1 56 56 SER HB3 H 1 4.024 0.000 . 2 . . . A 64 SER HB3 . 19003 1 658 . 1 1 56 56 SER C C 13 177.297 0.000 . 1 . . . A 64 SER C . 19003 1 659 . 1 1 56 56 SER CA C 13 61.550 0.000 . 1 . . . A 64 SER CA . 19003 1 660 . 1 1 56 56 SER CB C 13 62.316 0.000 . 1 . . . A 64 SER CB . 19003 1 661 . 1 1 56 56 SER N N 15 113.962 0.000 . 1 . . . A 64 SER N . 19003 1 662 . 1 1 57 57 TRP H H 1 8.054 0.000 . 1 . . . A 65 TRP H . 19003 1 663 . 1 1 57 57 TRP HA H 1 4.153 0.000 . 1 . . . A 65 TRP HA . 19003 1 664 . 1 1 57 57 TRP HB2 H 1 3.301 0.000 . 2 . . . A 65 TRP HB2 . 19003 1 665 . 1 1 57 57 TRP HB3 H 1 3.591 0.000 . 2 . . . A 65 TRP HB3 . 19003 1 666 . 1 1 57 57 TRP HD1 H 1 7.344 0.000 . 1 . . . A 65 TRP HD1 . 19003 1 667 . 1 1 57 57 TRP HE1 H 1 10.220 0.000 . 1 . . . A 65 TRP HE1 . 19003 1 668 . 1 1 57 57 TRP HE3 H 1 7.120 0.000 . 1 . . . A 65 TRP HE3 . 19003 1 669 . 1 1 57 57 TRP HZ2 H 1 7.310 0.000 . 1 . . . A 65 TRP HZ2 . 19003 1 670 . 1 1 57 57 TRP HZ3 H 1 7.270 0.000 . 1 . . . A 65 TRP HZ3 . 19003 1 671 . 1 1 57 57 TRP HH2 H 1 7.390 0.000 . 1 . . . A 65 TRP HH2 . 19003 1 672 . 1 1 57 57 TRP C C 13 178.318 0.000 . 1 . . . A 65 TRP C . 19003 1 673 . 1 1 57 57 TRP CA C 13 61.712 0.000 . 1 . . . A 65 TRP CA . 19003 1 674 . 1 1 57 57 TRP CB C 13 27.287 0.000 . 1 . . . A 65 TRP CB . 19003 1 675 . 1 1 57 57 TRP CD1 C 13 128.088 0.000 . 1 . . . A 65 TRP CD1 . 19003 1 676 . 1 1 57 57 TRP CE3 C 13 120.988 0.000 . 1 . . . A 65 TRP CE3 . 19003 1 677 . 1 1 57 57 TRP CZ2 C 13 113.888 0.000 . 1 . . . A 65 TRP CZ2 . 19003 1 678 . 1 1 57 57 TRP CZ3 C 13 122.088 0.000 . 1 . . . A 65 TRP CZ3 . 19003 1 679 . 1 1 57 57 TRP CH2 C 13 124.288 0.000 . 1 . . . A 65 TRP CH2 . 19003 1 680 . 1 1 57 57 TRP N N 15 123.490 0.000 . 1 . . . A 65 TRP N . 19003 1 681 . 1 1 57 57 TRP NE1 N 15 130.800 0.000 . 1 . . . A 65 TRP NE1 . 19003 1 682 . 1 1 58 58 TRP H H 1 9.333 0.000 . 1 . . . A 66 TRP H . 19003 1 683 . 1 1 58 58 TRP HA H 1 3.088 0.000 . 1 . . . A 66 TRP HA . 19003 1 684 . 1 1 58 58 TRP HB2 H 1 3.166 0.000 . 2 . . . A 66 TRP HB2 . 19003 1 685 . 1 1 58 58 TRP HB3 H 1 2.901 0.000 . 2 . . . A 66 TRP HB3 . 19003 1 686 . 1 1 58 58 TRP HD1 H 1 7.190 0.000 . 1 . . . A 66 TRP HD1 . 19003 1 687 . 1 1 58 58 TRP HE1 H 1 10.310 0.000 . 1 . . . A 66 TRP HE1 . 19003 1 688 . 1 1 58 58 TRP HE3 H 1 7.490 0.000 . 1 . . . A 66 TRP HE3 . 19003 1 689 . 1 1 58 58 TRP HZ2 H 1 7.500 0.000 . 1 . . . A 66 TRP HZ2 . 19003 1 690 . 1 1 58 58 TRP HZ3 H 1 7.180 0.000 . 1 . . . A 66 TRP HZ3 . 19003 1 691 . 1 1 58 58 TRP HH2 H 1 7.310 0.000 . 1 . . . A 66 TRP HH2 . 19003 1 692 . 1 1 58 58 TRP C C 13 178.959 0.000 . 1 . . . A 66 TRP C . 19003 1 693 . 1 1 58 58 TRP CA C 13 60.253 0.000 . 1 . . . A 66 TRP CA . 19003 1 694 . 1 1 58 58 TRP CB C 13 29.510 0.000 . 1 . . . A 66 TRP CB . 19003 1 695 . 1 1 58 58 TRP CD1 C 13 126.488 0.000 . 1 . . . A 66 TRP CD1 . 19003 1 696 . 1 1 58 58 TRP CE3 C 13 120.588 0.000 . 1 . . . A 66 TRP CE3 . 19003 1 697 . 1 1 58 58 TRP CZ2 C 13 114.988 0.000 . 1 . . . A 66 TRP CZ2 . 19003 1 698 . 1 1 58 58 TRP CZ3 C 13 121.588 0.000 . 1 . . . A 66 TRP CZ3 . 19003 1 699 . 1 1 58 58 TRP CH2 C 13 124.788 0.000 . 1 . . . A 66 TRP CH2 . 19003 1 700 . 1 1 58 58 TRP N N 15 122.351 0.000 . 1 . . . A 66 TRP N . 19003 1 701 . 1 1 58 58 TRP NE1 N 15 130.100 0.000 . 1 . . . A 66 TRP NE1 . 19003 1 702 . 1 1 59 59 ASN H H 1 8.586 0.000 . 1 . . . A 67 ASN H . 19003 1 703 . 1 1 59 59 ASN HA H 1 4.376 0.000 . 1 . . . A 67 ASN HA . 19003 1 704 . 1 1 59 59 ASN HB2 H 1 2.867 0.000 . 2 . . . A 67 ASN HB2 . 19003 1 705 . 1 1 59 59 ASN HB3 H 1 2.867 0.000 . 2 . . . A 67 ASN HB3 . 19003 1 706 . 1 1 59 59 ASN HD21 H 1 7.660 0.000 . 2 . . . A 67 ASN HD21 . 19003 1 707 . 1 1 59 59 ASN HD22 H 1 7.151 0.000 . 2 . . . A 67 ASN HD22 . 19003 1 708 . 1 1 59 59 ASN C C 13 176.591 0.000 . 1 . . . A 67 ASN C . 19003 1 709 . 1 1 59 59 ASN CA C 13 55.308 0.000 . 1 . . . A 67 ASN CA . 19003 1 710 . 1 1 59 59 ASN CB C 13 38.495 0.000 . 1 . . . A 67 ASN CB . 19003 1 711 . 1 1 59 59 ASN N N 15 115.529 0.000 . 1 . . . A 67 ASN N . 19003 1 712 . 1 1 59 59 ASN ND2 N 15 112.770 0.000 . 1 . . . A 67 ASN ND2 . 19003 1 713 . 1 1 60 60 SER H H 1 7.600 0.000 . 1 . . . A 68 SER H . 19003 1 714 . 1 1 60 60 SER HA H 1 4.332 0.000 . 1 . . . A 68 SER HA . 19003 1 715 . 1 1 60 60 SER HB2 H 1 3.909 0.000 . 2 . . . A 68 SER HB2 . 19003 1 716 . 1 1 60 60 SER HB3 H 1 3.909 0.000 . 2 . . . A 68 SER HB3 . 19003 1 717 . 1 1 60 60 SER C C 13 174.581 0.000 . 1 . . . A 68 SER C . 19003 1 718 . 1 1 60 60 SER CA C 13 59.578 0.000 . 1 . . . A 68 SER CA . 19003 1 719 . 1 1 60 60 SER CB C 13 63.670 0.000 . 1 . . . A 68 SER CB . 19003 1 720 . 1 1 60 60 SER N N 15 114.677 0.000 . 1 . . . A 68 SER N . 19003 1 721 . 1 1 61 61 ARG H H 1 6.992 0.000 . 1 . . . A 69 ARG H . 19003 1 722 . 1 1 61 61 ARG HA H 1 3.879 0.000 . 1 . . . A 69 ARG HA . 19003 1 723 . 1 1 61 61 ARG HB2 H 1 1.101 0.000 . 2 . . . A 69 ARG HB2 . 19003 1 724 . 1 1 61 61 ARG HB3 H 1 1.326 0.000 . 2 . . . A 69 ARG HB3 . 19003 1 725 . 1 1 61 61 ARG HG2 H 1 0.903 0.000 . 2 . . . A 69 ARG HG2 . 19003 1 726 . 1 1 61 61 ARG HG3 H 1 0.938 0.000 . 2 . . . A 69 ARG HG3 . 19003 1 727 . 1 1 61 61 ARG HD2 H 1 1.920 0.000 . 2 . . . A 69 ARG HD2 . 19003 1 728 . 1 1 61 61 ARG HD3 H 1 1.947 0.000 . 2 . . . A 69 ARG HD3 . 19003 1 729 . 1 1 61 61 ARG HE H 1 7.220 0.000 . 1 . . . A 69 ARG HE . 19003 1 730 . 1 1 61 61 ARG C C 13 176.963 0.000 . 1 . . . A 69 ARG C . 19003 1 731 . 1 1 61 61 ARG CA C 13 57.087 0.000 . 1 . . . A 69 ARG CA . 19003 1 732 . 1 1 61 61 ARG CB C 13 29.955 0.000 . 1 . . . A 69 ARG CB . 19003 1 733 . 1 1 61 61 ARG CG C 13 26.030 0.000 . 1 . . . A 69 ARG CG . 19003 1 734 . 1 1 61 61 ARG CD C 13 42.599 0.000 . 1 . . . A 69 ARG CD . 19003 1 735 . 1 1 61 61 ARG N N 15 121.618 0.000 . 1 . . . A 69 ARG N . 19003 1 736 . 1 1 61 61 ARG NE N 15 84.584 0.000 . 1 . . . A 69 ARG NE . 19003 1 737 . 1 1 62 62 THR H H 1 7.860 0.000 . 1 . . . A 70 THR H . 19003 1 738 . 1 1 62 62 THR HA H 1 4.030 0.000 . 1 . . . A 70 THR HA . 19003 1 739 . 1 1 62 62 THR HB H 1 3.995 0.000 . 1 . . . A 70 THR HB . 19003 1 740 . 1 1 62 62 THR HG21 H 1 0.962 0.000 . 1 . . . A 70 THR HG21 . 19003 1 741 . 1 1 62 62 THR HG22 H 1 0.962 0.000 . 1 . . . A 70 THR HG22 . 19003 1 742 . 1 1 62 62 THR HG23 H 1 0.962 0.000 . 1 . . . A 70 THR HG23 . 19003 1 743 . 1 1 62 62 THR C C 13 174.506 0.000 . 1 . . . A 70 THR C . 19003 1 744 . 1 1 62 62 THR CA C 13 62.513 0.000 . 1 . . . A 70 THR CA . 19003 1 745 . 1 1 62 62 THR CB C 13 69.378 0.000 . 1 . . . A 70 THR CB . 19003 1 746 . 1 1 62 62 THR CG2 C 13 21.373 0.000 . 1 . . . A 70 THR CG2 . 19003 1 747 . 1 1 62 62 THR N N 15 114.140 0.000 . 1 . . . A 70 THR N . 19003 1 748 . 1 1 63 63 LYS H H 1 8.051 0.000 . 1 . . . A 71 LYS H . 19003 1 749 . 1 1 63 63 LYS HA H 1 4.187 0.000 . 1 . . . A 71 LYS HA . 19003 1 750 . 1 1 63 63 LYS HB2 H 1 1.691 0.000 . 2 . . . A 71 LYS HB2 . 19003 1 751 . 1 1 63 63 LYS HB3 H 1 1.757 0.000 . 2 . . . A 71 LYS HB3 . 19003 1 752 . 1 1 63 63 LYS HG2 H 1 1.315 0.000 . 2 . . . A 71 LYS HG2 . 19003 1 753 . 1 1 63 63 LYS HG3 H 1 1.315 0.000 . 2 . . . A 71 LYS HG3 . 19003 1 754 . 1 1 63 63 LYS HD2 H 1 1.574 0.000 . 2 . . . A 71 LYS HD2 . 19003 1 755 . 1 1 63 63 LYS HD3 H 1 1.574 0.000 . 2 . . . A 71 LYS HD3 . 19003 1 756 . 1 1 63 63 LYS HE2 H 1 2.890 0.000 . 2 . . . A 71 LYS HE2 . 19003 1 757 . 1 1 63 63 LYS HE3 H 1 2.890 0.000 . 2 . . . A 71 LYS HE3 . 19003 1 758 . 1 1 63 63 LYS C C 13 176.531 0.000 . 1 . . . A 71 LYS C . 19003 1 759 . 1 1 63 63 LYS CA C 13 56.286 0.000 . 1 . . . A 71 LYS CA . 19003 1 760 . 1 1 63 63 LYS CB C 13 32.624 0.000 . 1 . . . A 71 LYS CB . 19003 1 761 . 1 1 63 63 LYS CG C 13 24.687 0.000 . 1 . . . A 71 LYS CG . 19003 1 762 . 1 1 63 63 LYS CD C 13 28.986 0.000 . 1 . . . A 71 LYS CD . 19003 1 763 . 1 1 63 63 LYS CE C 13 42.151 0.000 . 1 . . . A 71 LYS CE . 19003 1 764 . 1 1 63 63 LYS N N 15 123.490 0.000 . 1 . . . A 71 LYS N . 19003 1 765 . 1 1 64 64 MET H H 1 8.305 0.000 . 1 . . . A 72 MET H . 19003 1 766 . 1 1 64 64 MET HA H 1 4.376 0.000 . 1 . . . A 72 MET HA . 19003 1 767 . 1 1 64 64 MET HB2 H 1 1.951 0.000 . 2 . . . A 72 MET HB2 . 19003 1 768 . 1 1 64 64 MET HB3 H 1 2.022 0.000 . 2 . . . A 72 MET HB3 . 19003 1 769 . 1 1 64 64 MET HG2 H 1 2.458 0.000 . 2 . . . A 72 MET HG2 . 19003 1 770 . 1 1 64 64 MET HG3 H 1 2.540 0.000 . 2 . . . A 72 MET HG3 . 19003 1 771 . 1 1 64 64 MET C C 13 176.115 0.000 . 1 . . . A 72 MET C . 19003 1 772 . 1 1 64 64 MET CA C 13 55.397 0.000 . 1 . . . A 72 MET CA . 19003 1 773 . 1 1 64 64 MET CB C 13 32.446 0.000 . 1 . . . A 72 MET CB . 19003 1 774 . 1 1 64 64 MET CG C 13 32.121 0.000 . 1 . . . A 72 MET CG . 19003 1 775 . 1 1 64 64 MET N N 15 121.388 0.000 . 1 . . . A 72 MET N . 19003 1 776 . 1 1 65 65 ALA H H 1 8.272 0.000 . 1 . . . A 73 ALA H . 19003 1 777 . 1 1 65 65 ALA HA H 1 4.229 0.000 . 1 . . . A 73 ALA HA . 19003 1 778 . 1 1 65 65 ALA HB1 H 1 1.366 0.000 . 1 . . . A 73 ALA HB1 . 19003 1 779 . 1 1 65 65 ALA HB2 H 1 1.366 0.000 . 1 . . . A 73 ALA HB2 . 19003 1 780 . 1 1 65 65 ALA HB3 H 1 1.366 0.000 . 1 . . . A 73 ALA HB3 . 19003 1 781 . 1 1 65 65 ALA C C 13 177.499 0.000 . 1 . . . A 73 ALA C . 19003 1 782 . 1 1 65 65 ALA CA C 13 52.639 0.000 . 1 . . . A 73 ALA CA . 19003 1 783 . 1 1 65 65 ALA CB C 13 19.103 0.000 . 1 . . . A 73 ALA CB . 19003 1 784 . 1 1 65 65 ALA N N 15 124.890 0.000 . 1 . . . A 73 ALA N . 19003 1 785 . 1 1 66 66 ASN H H 1 8.408 0.000 . 1 . . . A 74 ASN H . 19003 1 786 . 1 1 66 66 ASN HA H 1 4.630 0.000 . 1 . . . A 74 ASN HA . 19003 1 787 . 1 1 66 66 ASN HB2 H 1 2.677 0.000 . 2 . . . A 74 ASN HB2 . 19003 1 788 . 1 1 66 66 ASN HB3 H 1 2.677 0.000 . 2 . . . A 74 ASN HB3 . 19003 1 789 . 1 1 66 66 ASN HD21 H 1 7.645 0.000 . 2 . . . A 74 ASN HD21 . 19003 1 790 . 1 1 66 66 ASN HD22 H 1 6.947 0.000 . 2 . . . A 74 ASN HD22 . 19003 1 791 . 1 1 66 66 ASN C C 13 174.893 0.000 . 1 . . . A 74 ASN C . 19003 1 792 . 1 1 66 66 ASN CA C 13 53.084 0.000 . 1 . . . A 74 ASN CA . 19003 1 793 . 1 1 66 66 ASN CB C 13 39.118 0.000 . 1 . . . A 74 ASN CB . 19003 1 794 . 1 1 66 66 ASN N N 15 117.940 0.000 . 1 . . . A 74 ASN N . 19003 1 795 . 1 1 66 66 ASN ND2 N 15 113.160 0.000 . 1 . . . A 74 ASN ND2 . 19003 1 796 . 1 1 67 67 ASP H H 1 8.298 0.000 . 1 . . . A 75 ASP H . 19003 1 797 . 1 1 67 67 ASP HA H 1 4.542 0.000 . 1 . . . A 75 ASP HA . 19003 1 798 . 1 1 67 67 ASP HB2 H 1 2.553 0.000 . 2 . . . A 75 ASP HB2 . 19003 1 799 . 1 1 67 67 ASP HB3 H 1 2.744 0.000 . 2 . . . A 75 ASP HB3 . 19003 1 800 . 1 1 67 67 ASP C C 13 175.861 0.000 . 1 . . . A 75 ASP C . 19003 1 801 . 1 1 67 67 ASP CA C 13 54.240 0.000 . 1 . . . A 75 ASP CA . 19003 1 802 . 1 1 67 67 ASP CB C 13 41.075 0.000 . 1 . . . A 75 ASP CB . 19003 1 803 . 1 1 67 67 ASP N N 15 120.439 0.000 . 1 . . . A 75 ASP N . 19003 1 804 . 1 1 68 68 TYR H H 1 8.040 0.000 . 1 . . . A 76 TYR H . 19003 1 805 . 1 1 68 68 TYR HA H 1 4.513 0.000 . 1 . . . A 76 TYR HA . 19003 1 806 . 1 1 68 68 TYR HB2 H 1 2.970 0.000 . 2 . . . A 76 TYR HB2 . 19003 1 807 . 1 1 68 68 TYR HB3 H 1 3.050 0.000 . 2 . . . A 76 TYR HB3 . 19003 1 808 . 1 1 68 68 TYR HD1 H 1 7.080 0.000 . 3 . . . A 76 TYR HD1 . 19003 1 809 . 1 1 68 68 TYR HD2 H 1 7.080 0.000 . 3 . . . A 76 TYR HD2 . 19003 1 810 . 1 1 68 68 TYR HE1 H 1 6.800 0.000 . 3 . . . A 76 TYR HE1 . 19003 1 811 . 1 1 68 68 TYR HE2 H 1 6.800 0.000 . 3 . . . A 76 TYR HE2 . 19003 1 812 . 1 1 68 68 TYR C C 13 175.608 0.000 . 1 . . . A 76 TYR C . 19003 1 813 . 1 1 68 68 TYR CA C 13 57.887 0.000 . 1 . . . A 76 TYR CA . 19003 1 814 . 1 1 68 68 TYR CB C 13 38.584 0.000 . 1 . . . A 76 TYR CB . 19003 1 815 . 1 1 68 68 TYR CD1 C 13 132.988 0.000 . 3 . . . A 76 TYR CD1 . 19003 1 816 . 1 1 68 68 TYR CD2 C 13 132.988 0.000 . 3 . . . A 76 TYR CD2 . 19003 1 817 . 1 1 68 68 TYR CE1 C 13 117.988 0.000 . 3 . . . A 76 TYR CE1 . 19003 1 818 . 1 1 68 68 TYR CE2 C 13 117.988 0.000 . 3 . . . A 76 TYR CE2 . 19003 1 819 . 1 1 68 68 TYR N N 15 119.772 0.000 . 1 . . . A 76 TYR N . 19003 1 820 . 1 1 69 69 GLU H H 1 8.194 0.000 . 1 . . . . 77 GLU H . 19003 1 821 . 1 1 69 69 GLU HA H 1 4.242 0.000 . 1 . . . . 77 GLU HA . 19003 1 822 . 1 1 69 69 GLU HB2 H 1 1.849 0.000 . 2 . . . . 77 GLU HB2 . 19003 1 823 . 1 1 69 69 GLU HB3 H 1 1.981 0.000 . 2 . . . . 77 GLU HB3 . 19003 1 824 . 1 1 69 69 GLU HG2 H 1 2.174 0.000 . 2 . . . . 77 GLU HG2 . 19003 1 825 . 1 1 69 69 GLU HG3 H 1 2.197 0.000 . 2 . . . . 77 GLU HG3 . 19003 1 826 . 1 1 69 69 GLU C C 13 175.698 0.000 . 1 . . . . 77 GLU C . 19003 1 827 . 1 1 69 69 GLU CA C 13 56.108 0.000 . 1 . . . . 77 GLU CA . 19003 1 828 . 1 1 69 69 GLU CB C 13 30.667 0.000 . 1 . . . . 77 GLU CB . 19003 1 829 . 1 1 69 69 GLU CG C 13 36.240 0.000 . 1 . . . . 77 GLU CG . 19003 1 830 . 1 1 69 69 GLU N N 15 121.978 0.000 . 1 . . . . 77 GLU N . 19003 1 831 . 1 1 70 70 ASP H H 1 8.419 0.000 . 1 . . . . 78 ASP H . 19003 1 832 . 1 1 70 70 ASP HA H 1 4.634 0.000 . 1 . . . . 78 ASP HA . 19003 1 833 . 1 1 70 70 ASP HB2 H 1 2.561 0.000 . 2 . . . . 78 ASP HB2 . 19003 1 834 . 1 1 70 70 ASP HB3 H 1 2.744 0.000 . 2 . . . . 78 ASP HB3 . 19003 1 835 . 1 1 70 70 ASP C C 13 175.117 0.000 . 1 . . . . 78 ASP C . 19003 1 836 . 1 1 70 70 ASP CA C 13 54.329 0.000 . 1 . . . . 78 ASP CA . 19003 1 837 . 1 1 70 70 ASP CB C 13 41.164 0.000 . 1 . . . . 78 ASP CB . 19003 1 838 . 1 1 70 70 ASP N N 15 122.746 0.000 . 1 . . . . 78 ASP N . 19003 1 839 . 1 1 71 71 VAL H H 1 7.713 0.000 . 1 . . . . 79 VAL H . 19003 1 840 . 1 1 71 71 VAL HA H 1 4.033 0.000 . 1 . . . . 79 VAL HA . 19003 1 841 . 1 1 71 71 VAL HB H 1 2.072 0.000 . 1 . . . . 79 VAL HB . 19003 1 842 . 1 1 71 71 VAL HG11 H 1 0.872 0.000 . 2 . . . . 79 VAL HG11 . 19003 1 843 . 1 1 71 71 VAL HG12 H 1 0.872 0.000 . 2 . . . . 79 VAL HG11 . 19003 1 844 . 1 1 71 71 VAL HG13 H 1 0.872 0.000 . 2 . . . . 79 VAL HG11 . 19003 1 845 . 1 1 71 71 VAL HG21 H 1 0.854 0.000 . 2 . . . . 79 VAL HG21 . 19003 1 846 . 1 1 71 71 VAL HG22 H 1 0.854 0.000 . 2 . . . . 79 VAL HG21 . 19003 1 847 . 1 1 71 71 VAL HG23 H 1 0.854 0.000 . 2 . . . . 79 VAL HG21 . 19003 1 848 . 1 1 71 71 VAL C C 13 181.252 0.000 . 1 . . . . 79 VAL C . 19003 1 849 . 1 1 71 71 VAL CA C 13 63.387 0.000 . 1 . . . . 79 VAL CA . 19003 1 850 . 1 1 71 71 VAL CB C 13 33.092 0.000 . 1 . . . . 79 VAL CB . 19003 1 851 . 1 1 71 71 VAL CG1 C 13 21.821 0.000 . 1 . . . . 79 VAL CG1 . 19003 1 852 . 1 1 71 71 VAL CG2 C 13 20.030 0.000 . 1 . . . . 79 VAL CG2 . 19003 1 853 . 1 1 71 71 VAL N N 15 124.050 0.000 . 1 . . . . 79 VAL N . 19003 1 stop_ save_