data_18801 ####################### # Entry information # ####################### save_entry_information _Entry.Sf_category entry_information _Entry.Sf_framecode entry_information _Entry.ID 18801 _Entry.Title ; The solution structure of NmPin, the parvuline of Nitrosopumilus maritimus ; _Entry.Type macromolecule _Entry.Version_type original _Entry.Submission_date 2012-10-22 _Entry.Accession_date 2012-10-22 _Entry.Last_release_date 2016-06-30 _Entry.Original_release_date 2016-06-30 _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 . _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 Christoph Lederer . . . . 18801 2 Peter Bayer . . . . 18801 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' . 18801 stop_ loop_ _Struct_keywords.Keywords _Struct_keywords.Text _Struct_keywords.Entry_ID Thaumarchaeota . 18801 archaeal . 18801 membrane . 18801 parvulin . 18801 sdPar . 18801 stop_ loop_ _Data_set.Type _Data_set.Count _Data_set.Entry_ID assigned_chemical_shifts 1 18801 stop_ loop_ _Datum.Type _Datum.Count _Datum.Entry_ID '13C chemical shifts' 384 18801 '15N chemical shifts' 94 18801 '1H chemical shifts' 646 18801 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 . . 2016-06-30 2012-10-22 update author 'update entry citation' 18801 1 . . 2014-04-21 2012-10-22 original author 'original release' 18801 stop_ save_ ############### # Citations # ############### save_entry_citation _Citation.Sf_category citations _Citation.Sf_framecode entry_citation _Citation.Entry_ID 18801 _Citation.ID 1 _Citation.Class 'entry citation' _Citation.CAS_abstract_code . _Citation.MEDLINE_UI_code . _Citation.DOI 10.1186/s12915-016-0274-1 _Citation.PubMed_ID 27349962 _Citation.Full_citation . _Citation.Title ; NmPin from the marine thaumarchaeote Nitrosopumilus maritimus is an active membrane associated prolyl isomerase ; _Citation.Status published _Citation.Type journal _Citation.Journal_abbrev 'BMC Biol.' _Citation.Journal_name_full . _Citation.Journal_volume 14 _Citation.Journal_issue 1 _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 53 _Citation.Page_last 53 _Citation.Year 2016 _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 Lukas Hoppstock . . . . 18801 1 2 Franziska Trusch . . . . 18801 1 3 Christoph Lederer . . . . 18801 1 4 Pieter 'van West' . . . . 18801 1 5 Martin Koenneke . . . . 18801 1 6 Peter Bayer . . . . 18801 1 stop_ save_ ############################################# # Molecular system (assembly) description # ############################################# save_assembly _Assembly.Sf_category assembly _Assembly.Sf_framecode assembly _Assembly.Entry_ID 18801 _Assembly.ID 1 _Assembly.Name NmPin _Assembly.BMRB_code . _Assembly.Number_of_components 1 _Assembly.Organic_ligands . _Assembly.Metal_ions . _Assembly.Non_standard_bonds no _Assembly.Ambiguous_conformational_states . _Assembly.Ambiguous_chem_comp_sites . _Assembly.Molecules_in_chemical_exchange . _Assembly.Paramagnetic no _Assembly.Thiol_state . _Assembly.Molecular_mass 10000 _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 NmPin 1 $entity A . yes native no no . . . 18801 1 stop_ save_ #################################### # Biological polymers and ligands # #################################### save_entity _Entity.Sf_category entity _Entity.Sf_framecode entity _Entity.Entry_ID 18801 _Entity.ID 1 _Entity.BMRB_code . _Entity.Name entity _Entity.Type polymer _Entity.Polymer_common_type . _Entity.Polymer_type polypeptide(L) _Entity.Polymer_type_details . _Entity.Polymer_strand_ID A _Entity.Polymer_seq_one_letter_code_can . _Entity.Polymer_seq_one_letter_code ; GPSNKIKCSHILVSKQSEAL AIMEKLKSGEKFGKLAKELS IDSGSAKKNGNLGYFTKGMM VKPFEDAAFKLQVGEVSEPI KSEFGYHIIKRFG ; _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 93 _Entity.Number_of_nonpolymer_components . _Entity.Paramagnetic no _Entity.Thiol_state 'all free' _Entity.Src_method man _Entity.Parent_entity_ID . _Entity.Fragment . _Entity.Mutation . _Entity.EC_number . _Entity.Calc_isoelectric_point . _Entity.Formula_weight 10198.002 _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 . GLY . 18801 1 2 . PRO . 18801 1 3 . SER . 18801 1 4 . ASN . 18801 1 5 . LYS . 18801 1 6 . ILE . 18801 1 7 . LYS . 18801 1 8 . CYS . 18801 1 9 . SER . 18801 1 10 . HIS . 18801 1 11 . ILE . 18801 1 12 . LEU . 18801 1 13 . VAL . 18801 1 14 . SER . 18801 1 15 . LYS . 18801 1 16 . GLN . 18801 1 17 . SER . 18801 1 18 . GLU . 18801 1 19 . ALA . 18801 1 20 . LEU . 18801 1 21 . ALA . 18801 1 22 . ILE . 18801 1 23 . MET . 18801 1 24 . GLU . 18801 1 25 . LYS . 18801 1 26 . LEU . 18801 1 27 . LYS . 18801 1 28 . SER . 18801 1 29 . GLY . 18801 1 30 . GLU . 18801 1 31 . LYS . 18801 1 32 . PHE . 18801 1 33 . GLY . 18801 1 34 . LYS . 18801 1 35 . LEU . 18801 1 36 . ALA . 18801 1 37 . LYS . 18801 1 38 . GLU . 18801 1 39 . LEU . 18801 1 40 . SER . 18801 1 41 . ILE . 18801 1 42 . ASP . 18801 1 43 . SER . 18801 1 44 . GLY . 18801 1 45 . SER . 18801 1 46 . ALA . 18801 1 47 . LYS . 18801 1 48 . LYS . 18801 1 49 . ASN . 18801 1 50 . GLY . 18801 1 51 . ASN . 18801 1 52 . LEU . 18801 1 53 . GLY . 18801 1 54 . TYR . 18801 1 55 . PHE . 18801 1 56 . THR . 18801 1 57 . LYS . 18801 1 58 . GLY . 18801 1 59 . MET . 18801 1 60 . MET . 18801 1 61 . VAL . 18801 1 62 . LYS . 18801 1 63 . PRO . 18801 1 64 . PHE . 18801 1 65 . GLU . 18801 1 66 . ASP . 18801 1 67 . ALA . 18801 1 68 . ALA . 18801 1 69 . PHE . 18801 1 70 . LYS . 18801 1 71 . LEU . 18801 1 72 . GLN . 18801 1 73 . VAL . 18801 1 74 . GLY . 18801 1 75 . GLU . 18801 1 76 . VAL . 18801 1 77 . SER . 18801 1 78 . GLU . 18801 1 79 . PRO . 18801 1 80 . ILE . 18801 1 81 . LYS . 18801 1 82 . SER . 18801 1 83 . GLU . 18801 1 84 . PHE . 18801 1 85 . GLY . 18801 1 86 . TYR . 18801 1 87 . HIS . 18801 1 88 . ILE . 18801 1 89 . ILE . 18801 1 90 . LYS . 18801 1 91 . ARG . 18801 1 92 . PHE . 18801 1 93 . GLY . 18801 1 stop_ loop_ _Entity_poly_seq.Hetero _Entity_poly_seq.Mon_ID _Entity_poly_seq.Num _Entity_poly_seq.Comp_index_ID _Entity_poly_seq.Entry_ID _Entity_poly_seq.Entity_ID . GLY 1 1 18801 1 . PRO 2 2 18801 1 . SER 3 3 18801 1 . ASN 4 4 18801 1 . LYS 5 5 18801 1 . ILE 6 6 18801 1 . LYS 7 7 18801 1 . CYS 8 8 18801 1 . SER 9 9 18801 1 . HIS 10 10 18801 1 . ILE 11 11 18801 1 . LEU 12 12 18801 1 . VAL 13 13 18801 1 . SER 14 14 18801 1 . LYS 15 15 18801 1 . GLN 16 16 18801 1 . SER 17 17 18801 1 . GLU 18 18 18801 1 . ALA 19 19 18801 1 . LEU 20 20 18801 1 . ALA 21 21 18801 1 . ILE 22 22 18801 1 . MET 23 23 18801 1 . GLU 24 24 18801 1 . LYS 25 25 18801 1 . LEU 26 26 18801 1 . LYS 27 27 18801 1 . SER 28 28 18801 1 . GLY 29 29 18801 1 . GLU 30 30 18801 1 . LYS 31 31 18801 1 . PHE 32 32 18801 1 . GLY 33 33 18801 1 . LYS 34 34 18801 1 . LEU 35 35 18801 1 . ALA 36 36 18801 1 . LYS 37 37 18801 1 . GLU 38 38 18801 1 . LEU 39 39 18801 1 . SER 40 40 18801 1 . ILE 41 41 18801 1 . ASP 42 42 18801 1 . SER 43 43 18801 1 . GLY 44 44 18801 1 . SER 45 45 18801 1 . ALA 46 46 18801 1 . LYS 47 47 18801 1 . LYS 48 48 18801 1 . ASN 49 49 18801 1 . GLY 50 50 18801 1 . ASN 51 51 18801 1 . LEU 52 52 18801 1 . GLY 53 53 18801 1 . TYR 54 54 18801 1 . PHE 55 55 18801 1 . THR 56 56 18801 1 . LYS 57 57 18801 1 . GLY 58 58 18801 1 . MET 59 59 18801 1 . MET 60 60 18801 1 . VAL 61 61 18801 1 . LYS 62 62 18801 1 . PRO 63 63 18801 1 . PHE 64 64 18801 1 . GLU 65 65 18801 1 . ASP 66 66 18801 1 . ALA 67 67 18801 1 . ALA 68 68 18801 1 . PHE 69 69 18801 1 . LYS 70 70 18801 1 . LEU 71 71 18801 1 . GLN 72 72 18801 1 . VAL 73 73 18801 1 . GLY 74 74 18801 1 . GLU 75 75 18801 1 . VAL 76 76 18801 1 . SER 77 77 18801 1 . GLU 78 78 18801 1 . PRO 79 79 18801 1 . ILE 80 80 18801 1 . LYS 81 81 18801 1 . SER 82 82 18801 1 . GLU 83 83 18801 1 . PHE 84 84 18801 1 . GLY 85 85 18801 1 . TYR 86 86 18801 1 . HIS 87 87 18801 1 . ILE 88 88 18801 1 . ILE 89 89 18801 1 . LYS 90 90 18801 1 . ARG 91 91 18801 1 . PHE 92 92 18801 1 . GLY 93 93 18801 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 18801 _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 $entity . 338192 organism . 'Nitrosopumilus maritimus' 'Nitrosopumilus maritimus' . . Archaea . Nitrosopumilus maritimus SCM1 . . . . . . . . . . nmar0942 'single domain parvuline' 18801 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 18801 _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 $entity . 'recombinant technology' 'Escherichia coli' . . . Escherichia coli . . . . . . 'pET41 (a-c)' . . 'purified using a GST vector' 18801 1 stop_ save_ ##################################### # Sample contents and methodology # ##################################### ######################## # Sample description # ######################## save_sample_1 _Sample.Sf_category sample _Sample.Sf_framecode sample_1 _Sample.Entry_ID 18801 _Sample.ID 1 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'used for backbone assignment and 2D-spectra' _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 18801 1 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18801 1 3 DSS 'natural abundance' . . . . . . 2 . . uM . . . . 18801 1 stop_ save_ save_sample_2 _Sample.Sf_category sample _Sample.Sf_framecode sample_2 _Sample.Entry_ID 18801 _Sample.ID 2 _Sample.Type solution _Sample.Sub_type . _Sample.Details 'used for side-chain asignment and NOE-spectra' _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 entity '[U-99% 13C; U-99% 15N]' . . 1 $entity . . 1 . . mM . . . . 18801 2 2 'potassium phosphate' 'natural abundance' . . . . . . 50 . . mM . . . . 18801 2 3 DSS 'natural abundance' . . . . . . 2 . . uM . . . . 18801 2 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 18801 _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' 50 . mM 18801 1 pH 6.5 . pH 18801 1 pressure 1 . atm 18801 1 temperature 301.5 . K 18801 1 stop_ save_ ############################ # Computer software used # ############################ save_TOPSPIN _Software.Sf_category software _Software.Sf_framecode TOPSPIN _Software.Entry_ID 18801 _Software.ID 1 _Software.Name TOPSPIN _Software.Version 3.0 _Software.Details 'spectra proccessing and recording' loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Bruker Biospin' . . 18801 1 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID collection 18801 1 processing 18801 1 stop_ save_ save_CCPN _Software.Sf_category software _Software.Sf_framecode CCPN _Software.Entry_ID 18801 _Software.ID 2 _Software.Name CCPN _Software.Version 2.1 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID CCPN . . 18801 2 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'chemical shift assignment' 18801 2 'chemical shift calculation' 18801 2 'peak picking' 18801 2 stop_ save_ save_CYANA _Software.Sf_category software _Software.Sf_framecode CYANA _Software.Entry_ID 18801 _Software.ID 3 _Software.Name CYANA _Software.Version 3.0 _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID 'Guntert, Mumenthaler and Wuthrich' . . 18801 3 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID 'data analysis' 18801 3 refinement 18801 3 'structure solution' 18801 3 stop_ save_ save_WhatIF _Software.Sf_category software _Software.Sf_framecode WhatIF _Software.Entry_ID 18801 _Software.ID 4 _Software.Name WhatIF _Software.Version . _Software.Details . loop_ _Vendor.Name _Vendor.Address _Vendor.Electronic_address _Vendor.Entry_ID _Vendor.Software_ID Vriend . . 18801 4 stop_ loop_ _Task.Task _Task.Entry_ID _Task.Software_ID refinement 18801 4 stop_ save_ ######################### # Experimental detail # ######################### ################################## # NMR Spectrometer definitions # ################################## save_700Mhz _NMR_spectrometer.Sf_category NMR_spectrometer _NMR_spectrometer.Sf_framecode 700Mhz _NMR_spectrometer.Entry_ID 18801 _NMR_spectrometer.ID 1 _NMR_spectrometer.Details . _NMR_spectrometer.Manufacturer Bruker _NMR_spectrometer.Model Ultrashield _NMR_spectrometer.Serial_number . _NMR_spectrometer.Field_strength 700 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 18801 _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 700Mhz Bruker Ultrashield . 700 . . . 18801 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 18801 _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 $700Mhz . . . . . . . . . . . . . . . . 18801 1 2 '2D 1H-13C HSQC' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 1 3 '2D 1H-1H TOCSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 1 4 '2D 1H-1H COSY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 1 5 '2D 1H-1H NOESY' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 1 6 '3D CBCA(CO)NH' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 1 7 '3D HNCACB' no . . . . . . . . . . 1 $sample_1 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 1 8 '3D HCCH-TOCSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 1 9 '3D HCCH-COSY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 1 10 '3D 1H-13C NOESY' no . . . . . . . . . . 2 $sample_2 isotropic . . 1 $sample_conditions_1 . . . 1 $700Mhz . . . . . . . . . . . . . . . . 18801 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 18801 _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 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.251449530 . . . . . 18801 1 H 1 DSS 'methyl protons' . . . . ppm 0.00 internal direct 1.000000000 . . . . . 18801 1 N 15 DSS 'methyl protons' . . . . ppm 0.00 na indirect 0.101329118 . . . . . 18801 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 18801 _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' . . . 18801 1 2 '2D 1H-13C HSQC' . . . 18801 1 8 '3D HCCH-TOCSY' . . . 18801 1 9 '3D HCCH-COSY' . . . 18801 1 stop_ loop_ _Atom_chem_shift.ID _Atom_chem_shift.Assembly_atom_ID _Atom_chem_shift.Entity_assembly_ID _Atom_chem_shift.Entity_ID _Atom_chem_shift.Comp_index_ID _Atom_chem_shift.Seq_ID _Atom_chem_shift.Comp_ID _Atom_chem_shift.Atom_ID _Atom_chem_shift.Atom_type _Atom_chem_shift.Atom_isotope_number _Atom_chem_shift.Val _Atom_chem_shift.Val_err _Atom_chem_shift.Assign_fig_of_merit _Atom_chem_shift.Ambiguity_code _Atom_chem_shift.Occupancy _Atom_chem_shift.Resonance_ID _Atom_chem_shift.Auth_entity_assembly_ID _Atom_chem_shift.Auth_asym_ID _Atom_chem_shift.Auth_seq_ID _Atom_chem_shift.Auth_comp_ID _Atom_chem_shift.Auth_atom_ID _Atom_chem_shift.Details _Atom_chem_shift.Entry_ID _Atom_chem_shift.Assigned_chem_shift_list_ID 1 . 1 1 1 1 GLY HA2 H 1 3.841 0.024 . . . . . A 1 GLY HA2 . 18801 1 2 . 1 1 1 1 GLY HA3 H 1 3.865 0.000 . . . . . A 1 GLY HA3 . 18801 1 3 . 1 1 1 1 GLY CA C 13 40.498 0.030 . . . . . A 1 GLY CA . 18801 1 4 . 1 1 2 2 PRO HA H 1 4.469 0.000 . . . . . A 2 PRO HA . 18801 1 5 . 1 1 2 2 PRO HB2 H 1 2.274 0.000 . . . . . A 2 PRO HB2 . 18801 1 6 . 1 1 2 2 PRO HB3 H 1 1.938 0.000 . . . . . A 2 PRO HB3 . 18801 1 7 . 1 1 2 2 PRO HG2 H 1 1.947 0.000 . . . . . A 2 PRO HG2 . 18801 1 8 . 1 1 2 2 PRO HG3 H 1 1.947 0.000 . . . . . A 2 PRO HG3 . 18801 1 9 . 1 1 2 2 PRO HD2 H 1 3.522 0.000 . . . . . A 2 PRO HD2 . 18801 1 10 . 1 1 2 2 PRO HD3 H 1 3.522 0.000 . . . . . A 2 PRO HD3 . 18801 1 11 . 1 1 2 2 PRO CA C 13 60.249 0.000 . . . . . A 2 PRO CA . 18801 1 12 . 1 1 2 2 PRO CB C 13 29.536 0.007 . . . . . A 2 PRO CB . 18801 1 13 . 1 1 2 2 PRO CG C 13 24.267 0.000 . . . . . A 2 PRO CG . 18801 1 14 . 1 1 2 2 PRO CD C 13 46.777 0.000 . . . . . A 2 PRO CD . 18801 1 15 . 1 1 3 3 SER H H 1 8.502 0.000 . . . . . A 3 SER H . 18801 1 16 . 1 1 3 3 SER HA H 1 4.457 0.000 . . . . . A 3 SER HA . 18801 1 17 . 1 1 3 3 SER HB2 H 1 3.812 0.000 . . . . . A 3 SER HB2 . 18801 1 18 . 1 1 3 3 SER HB3 H 1 3.824 0.000 . . . . . A 3 SER HB3 . 18801 1 19 . 1 1 3 3 SER CA C 13 55.255 0.000 . . . . . A 3 SER CA . 18801 1 20 . 1 1 3 3 SER CB C 13 61.066 0.000 . . . . . A 3 SER CB . 18801 1 21 . 1 1 3 3 SER N N 15 116.356 0.000 . . . . . A 3 SER N . 18801 1 22 . 1 1 4 4 ASN H H 1 8.463 0.000 . . . . . A 4 ASN H . 18801 1 23 . 1 1 4 4 ASN HA H 1 4.696 0.000 . . . . . A 4 ASN HA . 18801 1 24 . 1 1 4 4 ASN HB2 H 1 2.799 0.000 . . . . . A 4 ASN HB2 . 18801 1 25 . 1 1 4 4 ASN HB3 H 1 2.841 0.000 . . . . . A 4 ASN HB3 . 18801 1 26 . 1 1 4 4 ASN HD21 H 1 6.889 0.000 . . . . . A 4 ASN HD21 . 18801 1 27 . 1 1 4 4 ASN HD22 H 1 7.574 0.010 . . . . . A 4 ASN HD22 . 18801 1 28 . 1 1 4 4 ASN C C 13 180.499 0.000 . . . . . A 4 ASN C . 18801 1 29 . 1 1 4 4 ASN CA C 13 50.736 0.000 . . . . . A 4 ASN CA . 18801 1 30 . 1 1 4 4 ASN CB C 13 35.801 0.007 . . . . . A 4 ASN CB . 18801 1 31 . 1 1 4 4 ASN CG C 13 177.838 0.009 . . . . . A 4 ASN CG . 18801 1 32 . 1 1 4 4 ASN N N 15 120.863 0.000 . . . . . A 4 ASN N . 18801 1 33 . 1 1 4 4 ASN ND2 N 15 112.441 0.045 . . . . . A 4 ASN ND2 . 18801 1 34 . 1 1 5 5 LYS H H 1 7.965 0.002 . . . . . A 5 LYS H . 18801 1 35 . 1 1 5 5 LYS HA H 1 5.096 0.000 . . . . . A 5 LYS HA . 18801 1 36 . 1 1 5 5 LYS HB2 H 1 1.615 0.000 . . . . . A 5 LYS HB2 . 18801 1 37 . 1 1 5 5 LYS HB3 H 1 1.545 0.000 . . . . . A 5 LYS HB3 . 18801 1 38 . 1 1 5 5 LYS HG2 H 1 1.206 0.000 . . . . . A 5 LYS HG2 . 18801 1 39 . 1 1 5 5 LYS HG3 H 1 1.206 0.000 . . . . . A 5 LYS HG3 . 18801 1 40 . 1 1 5 5 LYS HD2 H 1 1.400 0.000 . . . . . A 5 LYS HD2 . 18801 1 41 . 1 1 5 5 LYS HD3 H 1 1.292 0.000 . . . . . A 5 LYS HD3 . 18801 1 42 . 1 1 5 5 LYS HE2 H 1 2.557 0.000 . . . . . A 5 LYS HE2 . 18801 1 43 . 1 1 5 5 LYS HE3 H 1 2.522 0.000 . . . . . A 5 LYS HE3 . 18801 1 44 . 1 1 5 5 LYS C C 13 179.306 0.000 . . . . . A 5 LYS C . 18801 1 45 . 1 1 5 5 LYS CA C 13 51.949 0.000 . . . . . A 5 LYS CA . 18801 1 46 . 1 1 5 5 LYS CB C 13 32.641 0.013 . . . . . A 5 LYS CB . 18801 1 47 . 1 1 5 5 LYS CG C 13 21.622 0.000 . . . . . A 5 LYS CG . 18801 1 48 . 1 1 5 5 LYS CD C 13 21.817 0.025 . . . . . A 5 LYS CD . 18801 1 49 . 1 1 5 5 LYS CE C 13 38.522 0.006 . . . . . A 5 LYS CE . 18801 1 50 . 1 1 5 5 LYS N N 15 119.444 0.045 . . . . . A 5 LYS N . 18801 1 51 . 1 1 6 6 ILE H H 1 8.133 0.001 . . . . . A 6 ILE H . 18801 1 52 . 1 1 6 6 ILE HA H 1 4.561 0.000 . . . . . A 6 ILE HA . 18801 1 53 . 1 1 6 6 ILE HB H 1 1.227 0.000 . . . . . A 6 ILE HB . 18801 1 54 . 1 1 6 6 ILE HG12 H 1 -0.166 0.000 . . . . . A 6 ILE HG12 . 18801 1 55 . 1 1 6 6 ILE HG13 H 1 -0.031 0.000 . . . . . A 6 ILE HG13 . 18801 1 56 . 1 1 6 6 ILE HG21 H 1 1.228 0.000 . . . . . A 6 ILE HG21 . 18801 1 57 . 1 1 6 6 ILE HG22 H 1 1.228 0.000 . . . . . A 6 ILE HG22 . 18801 1 58 . 1 1 6 6 ILE HG23 H 1 1.228 0.000 . . . . . A 6 ILE HG23 . 18801 1 59 . 1 1 6 6 ILE HD11 H 1 -0.564 0.000 . . . . . A 6 ILE HD11 . 18801 1 60 . 1 1 6 6 ILE HD12 H 1 -0.564 0.000 . . . . . A 6 ILE HD12 . 18801 1 61 . 1 1 6 6 ILE HD13 H 1 -0.564 0.000 . . . . . A 6 ILE HD13 . 18801 1 62 . 1 1 6 6 ILE C C 13 183.130 0.000 . . . . . A 6 ILE C . 18801 1 63 . 1 1 6 6 ILE CA C 13 56.718 0.000 . . . . . A 6 ILE CA . 18801 1 64 . 1 1 6 6 ILE CB C 13 39.704 0.000 . . . . . A 6 ILE CB . 18801 1 65 . 1 1 6 6 ILE CG1 C 13 20.814 0.014 . . . . . A 6 ILE CG1 . 18801 1 66 . 1 1 6 6 ILE CG2 C 13 14.360 0.000 . . . . . A 6 ILE CG2 . 18801 1 67 . 1 1 6 6 ILE CD1 C 13 10.940 0.000 . . . . . A 6 ILE CD1 . 18801 1 68 . 1 1 6 6 ILE N N 15 115.941 0.025 . . . . . A 6 ILE N . 18801 1 69 . 1 1 7 7 LYS H H 1 8.155 0.001 . . . . . A 7 LYS H . 18801 1 70 . 1 1 7 7 LYS HA H 1 4.755 0.000 . . . . . A 7 LYS HA . 18801 1 71 . 1 1 7 7 LYS HB2 H 1 -0.174 0.000 . . . . . A 7 LYS HB2 . 18801 1 72 . 1 1 7 7 LYS HB3 H 1 0.705 0.000 . . . . . A 7 LYS HB3 . 18801 1 73 . 1 1 7 7 LYS HG2 H 1 0.895 0.000 . . . . . A 7 LYS HG2 . 18801 1 74 . 1 1 7 7 LYS HG3 H 1 0.480 0.000 . . . . . A 7 LYS HG3 . 18801 1 75 . 1 1 7 7 LYS HD2 H 1 1.046 0.000 . . . . . A 7 LYS HD2 . 18801 1 76 . 1 1 7 7 LYS HD3 H 1 1.192 0.000 . . . . . A 7 LYS HD3 . 18801 1 77 . 1 1 7 7 LYS HE2 H 1 2.519 0.000 . . . . . A 7 LYS HE2 . 18801 1 78 . 1 1 7 7 LYS HE3 H 1 2.519 0.000 . . . . . A 7 LYS HE3 . 18801 1 79 . 1 1 7 7 LYS C C 13 177.364 0.000 . . . . . A 7 LYS C . 18801 1 80 . 1 1 7 7 LYS CA C 13 51.228 0.000 . . . . . A 7 LYS CA . 18801 1 81 . 1 1 7 7 LYS CB C 13 31.186 0.012 . . . . . A 7 LYS CB . 18801 1 82 . 1 1 7 7 LYS CG C 13 21.821 0.010 . . . . . A 7 LYS CG . 18801 1 83 . 1 1 7 7 LYS CD C 13 26.847 0.006 . . . . . A 7 LYS CD . 18801 1 84 . 1 1 7 7 LYS CE C 13 38.528 0.000 . . . . . A 7 LYS CE . 18801 1 85 . 1 1 7 7 LYS N N 15 122.265 0.033 . . . . . A 7 LYS N . 18801 1 86 . 1 1 8 8 CYS H H 1 7.243 0.001 . . . . . A 8 CYS H . 18801 1 87 . 1 1 8 8 CYS HA H 1 5.755 0.000 . . . . . A 8 CYS HA . 18801 1 88 . 1 1 8 8 CYS HB2 H 1 3.070 0.000 . . . . . A 8 CYS HB2 . 18801 1 89 . 1 1 8 8 CYS HB3 H 1 2.863 0.000 . . . . . A 8 CYS HB3 . 18801 1 90 . 1 1 8 8 CYS HG H 1 1.168 0.000 . . . . . A 8 CYS HG . 18801 1 91 . 1 1 8 8 CYS C C 13 181.803 0.000 . . . . . A 8 CYS C . 18801 1 92 . 1 1 8 8 CYS CA C 13 53.600 0.000 . . . . . A 8 CYS CA . 18801 1 93 . 1 1 8 8 CYS CB C 13 30.585 0.003 . . . . . A 8 CYS CB . 18801 1 94 . 1 1 8 8 CYS N N 15 118.452 0.068 . . . . . A 8 CYS N . 18801 1 95 . 1 1 9 9 SER H H 1 9.148 0.003 . . . . . A 9 SER H . 18801 1 96 . 1 1 9 9 SER HA H 1 5.777 0.000 . . . . . A 9 SER HA . 18801 1 97 . 1 1 9 9 SER HB2 H 1 3.950 0.000 . . . . . A 9 SER HB2 . 18801 1 98 . 1 1 9 9 SER HB3 H 1 3.653 0.000 . . . . . A 9 SER HB3 . 18801 1 99 . 1 1 9 9 SER C C 13 181.609 0.000 . . . . . A 9 SER C . 18801 1 100 . 1 1 9 9 SER CA C 13 53.256 0.000 . . . . . A 9 SER CA . 18801 1 101 . 1 1 9 9 SER CB C 13 64.431 0.006 . . . . . A 9 SER CB . 18801 1 102 . 1 1 9 9 SER N N 15 115.559 0.025 . . . . . A 9 SER N . 18801 1 103 . 1 1 10 10 HIS H H 1 9.626 0.003 . . . . . A 10 HIS H . 18801 1 104 . 1 1 10 10 HIS HA H 1 6.491 0.000 . . . . . A 10 HIS HA . 18801 1 105 . 1 1 10 10 HIS HB2 H 1 3.301 0.000 . . . . . A 10 HIS HB2 . 18801 1 106 . 1 1 10 10 HIS HB3 H 1 3.419 0.000 . . . . . A 10 HIS HB3 . 18801 1 107 . 1 1 10 10 HIS HD2 H 1 7.024 0.002 . . . . . A 10 HIS HD2 . 18801 1 108 . 1 1 10 10 HIS HE1 H 1 7.672 0.005 . . . . . A 10 HIS HE1 . 18801 1 109 . 1 1 10 10 HIS CA C 13 51.244 0.000 . . . . . A 10 HIS CA . 18801 1 110 . 1 1 10 10 HIS CB C 13 34.648 0.006 . . . . . A 10 HIS CB . 18801 1 111 . 1 1 10 10 HIS CE1 C 13 134.486 0.000 . . . . . A 10 HIS CE1 . 18801 1 112 . 1 1 10 10 HIS N N 15 119.227 0.045 . . . . . A 10 HIS N . 18801 1 113 . 1 1 11 11 ILE H H 1 8.978 0.003 . . . . . A 11 ILE H . 18801 1 114 . 1 1 11 11 ILE HA H 1 3.408 0.000 . . . . . A 11 ILE HA . 18801 1 115 . 1 1 11 11 ILE HB H 1 1.395 0.000 . . . . . A 11 ILE HB . 18801 1 116 . 1 1 11 11 ILE HG12 H 1 0.137 0.000 . . . . . A 11 ILE HG12 . 18801 1 117 . 1 1 11 11 ILE HG13 H 1 1.254 0.000 . . . . . A 11 ILE HG13 . 18801 1 118 . 1 1 11 11 ILE HG21 H 1 0.517 0.000 . . . . . A 11 ILE HG21 . 18801 1 119 . 1 1 11 11 ILE HG22 H 1 0.517 0.000 . . . . . A 11 ILE HG22 . 18801 1 120 . 1 1 11 11 ILE HG23 H 1 0.517 0.000 . . . . . A 11 ILE HG23 . 18801 1 121 . 1 1 11 11 ILE HD11 H 1 -0.033 0.000 . . . . . A 11 ILE HD11 . 18801 1 122 . 1 1 11 11 ILE HD12 H 1 -0.033 0.000 . . . . . A 11 ILE HD12 . 18801 1 123 . 1 1 11 11 ILE HD13 H 1 -0.033 0.000 . . . . . A 11 ILE HD13 . 18801 1 124 . 1 1 11 11 ILE C C 13 182.235 0.000 . . . . . A 11 ILE C . 18801 1 125 . 1 1 11 11 ILE CA C 13 58.608 0.000 . . . . . A 11 ILE CA . 18801 1 126 . 1 1 11 11 ILE CB C 13 38.557 0.000 . . . . . A 11 ILE CB . 18801 1 127 . 1 1 11 11 ILE CG1 C 13 25.218 0.012 . . . . . A 11 ILE CG1 . 18801 1 128 . 1 1 11 11 ILE CG2 C 13 14.282 0.000 . . . . . A 11 ILE CG2 . 18801 1 129 . 1 1 11 11 ILE CD1 C 13 10.976 0.000 . . . . . A 11 ILE CD1 . 18801 1 130 . 1 1 11 11 ILE N N 15 121.859 0.044 . . . . . A 11 ILE N . 18801 1 131 . 1 1 12 12 LEU H H 1 7.659 0.001 . . . . . A 12 LEU H . 18801 1 132 . 1 1 12 12 LEU HA H 1 5.048 0.000 . . . . . A 12 LEU HA . 18801 1 133 . 1 1 12 12 LEU HB2 H 1 0.524 0.000 . . . . . A 12 LEU HB2 . 18801 1 134 . 1 1 12 12 LEU HB3 H 1 1.269 0.000 . . . . . A 12 LEU HB3 . 18801 1 135 . 1 1 12 12 LEU HG H 1 0.558 0.000 . . . . . A 12 LEU HG . 18801 1 136 . 1 1 12 12 LEU HD11 H 1 0.932 0.000 . . . . . A 12 LEU HD11 . 18801 1 137 . 1 1 12 12 LEU HD12 H 1 0.932 0.000 . . . . . A 12 LEU HD12 . 18801 1 138 . 1 1 12 12 LEU HD13 H 1 0.932 0.000 . . . . . A 12 LEU HD13 . 18801 1 139 . 1 1 12 12 LEU HD21 H 1 -0.202 0.000 . . . . . A 12 LEU HD21 . 18801 1 140 . 1 1 12 12 LEU HD22 H 1 -0.202 0.000 . . . . . A 12 LEU HD22 . 18801 1 141 . 1 1 12 12 LEU HD23 H 1 -0.202 0.000 . . . . . A 12 LEU HD23 . 18801 1 142 . 1 1 12 12 LEU C C 13 180.111 0.000 . . . . . A 12 LEU C . 18801 1 143 . 1 1 12 12 LEU CA C 13 49.529 0.000 . . . . . A 12 LEU CA . 18801 1 144 . 1 1 12 12 LEU CB C 13 42.274 0.015 . . . . . A 12 LEU CB . 18801 1 145 . 1 1 12 12 LEU CG C 13 23.326 0.000 . . . . . A 12 LEU CG . 18801 1 146 . 1 1 12 12 LEU CD1 C 13 16.849 0.000 . . . . . A 12 LEU CD1 . 18801 1 147 . 1 1 12 12 LEU CD2 C 13 23.852 0.000 . . . . . A 12 LEU CD2 . 18801 1 148 . 1 1 12 12 LEU N N 15 128.789 0.036 . . . . . A 12 LEU N . 18801 1 149 . 1 1 13 13 VAL H H 1 8.916 0.007 . . . . . A 13 VAL H . 18801 1 150 . 1 1 13 13 VAL HA H 1 4.923 0.000 . . . . . A 13 VAL HA . 18801 1 151 . 1 1 13 13 VAL HB H 1 2.512 0.000 . . . . . A 13 VAL HB . 18801 1 152 . 1 1 13 13 VAL HG11 H 1 0.694 0.000 . . . . . A 13 VAL HG11 . 18801 1 153 . 1 1 13 13 VAL HG12 H 1 0.694 0.000 . . . . . A 13 VAL HG12 . 18801 1 154 . 1 1 13 13 VAL HG13 H 1 0.694 0.000 . . . . . A 13 VAL HG13 . 18801 1 155 . 1 1 13 13 VAL HG21 H 1 0.695 0.000 . . . . . A 13 VAL HG21 . 18801 1 156 . 1 1 13 13 VAL HG22 H 1 0.695 0.000 . . . . . A 13 VAL HG22 . 18801 1 157 . 1 1 13 13 VAL HG23 H 1 0.695 0.000 . . . . . A 13 VAL HG23 . 18801 1 158 . 1 1 13 13 VAL C C 13 178.956 0.000 . . . . . A 13 VAL C . 18801 1 159 . 1 1 13 13 VAL CA C 13 56.356 0.000 . . . . . A 13 VAL CA . 18801 1 160 . 1 1 13 13 VAL CB C 13 32.245 0.000 . . . . . A 13 VAL CB . 18801 1 161 . 1 1 13 13 VAL CG1 C 13 15.771 0.000 . . . . . A 13 VAL CG1 . 18801 1 162 . 1 1 13 13 VAL CG2 C 13 20.076 0.000 . . . . . A 13 VAL CG2 . 18801 1 163 . 1 1 13 13 VAL N N 15 117.652 0.058 . . . . . A 13 VAL N . 18801 1 164 . 1 1 14 14 SER H H 1 8.799 0.003 . . . . . A 14 SER H . 18801 1 165 . 1 1 14 14 SER HA H 1 4.591 0.000 . . . . . A 14 SER HA . 18801 1 166 . 1 1 14 14 SER HB2 H 1 3.969 0.000 . . . . . A 14 SER HB2 . 18801 1 167 . 1 1 14 14 SER HB3 H 1 3.919 0.000 . . . . . A 14 SER HB3 . 18801 1 168 . 1 1 14 14 SER C C 13 179.440 0.000 . . . . . A 14 SER C . 18801 1 169 . 1 1 14 14 SER CA C 13 58.302 0.000 . . . . . A 14 SER CA . 18801 1 170 . 1 1 14 14 SER CB C 13 61.585 0.007 . . . . . A 14 SER CB . 18801 1 171 . 1 1 14 14 SER N N 15 115.236 0.039 . . . . . A 14 SER N . 18801 1 172 . 1 1 15 15 LYS H H 1 7.749 0.002 . . . . . A 15 LYS H . 18801 1 173 . 1 1 15 15 LYS HA H 1 4.813 0.000 . . . . . A 15 LYS HA . 18801 1 174 . 1 1 15 15 LYS HB2 H 1 1.962 0.000 . . . . . A 15 LYS HB2 . 18801 1 175 . 1 1 15 15 LYS HB3 H 1 1.491 0.000 . . . . . A 15 LYS HB3 . 18801 1 176 . 1 1 15 15 LYS HG2 H 1 1.405 0.000 . . . . . A 15 LYS HG2 . 18801 1 177 . 1 1 15 15 LYS HG3 H 1 1.405 0.000 . . . . . A 15 LYS HG3 . 18801 1 178 . 1 1 15 15 LYS HD2 H 1 1.640 0.000 . . . . . A 15 LYS HD2 . 18801 1 179 . 1 1 15 15 LYS HD3 H 1 1.640 0.000 . . . . . A 15 LYS HD3 . 18801 1 180 . 1 1 15 15 LYS HE2 H 1 2.934 0.000 . . . . . A 15 LYS HE2 . 18801 1 181 . 1 1 15 15 LYS HE3 H 1 2.934 0.000 . . . . . A 15 LYS HE3 . 18801 1 182 . 1 1 15 15 LYS C C 13 178.183 0.000 . . . . . A 15 LYS C . 18801 1 183 . 1 1 15 15 LYS CA C 13 51.798 0.000 . . . . . A 15 LYS CA . 18801 1 184 . 1 1 15 15 LYS CB C 13 32.956 0.015 . . . . . A 15 LYS CB . 18801 1 185 . 1 1 15 15 LYS CG C 13 22.186 0.000 . . . . . A 15 LYS CG . 18801 1 186 . 1 1 15 15 LYS CD C 13 26.494 0.000 . . . . . A 15 LYS CD . 18801 1 187 . 1 1 15 15 LYS CE C 13 39.035 0.000 . . . . . A 15 LYS CE . 18801 1 188 . 1 1 15 15 LYS N N 15 117.100 0.025 . . . . . A 15 LYS N . 18801 1 189 . 1 1 16 16 GLN H H 1 8.810 0.019 . . . . . A 16 GLN H . 18801 1 190 . 1 1 16 16 GLN HA H 1 2.545 0.000 . . . . . A 16 GLN HA . 18801 1 191 . 1 1 16 16 GLN HB2 H 1 1.492 0.000 . . . . . A 16 GLN HB2 . 18801 1 192 . 1 1 16 16 GLN HB3 H 1 1.808 0.000 . . . . . A 16 GLN HB3 . 18801 1 193 . 1 1 16 16 GLN HG2 H 1 1.965 0.000 . . . . . A 16 GLN HG2 . 18801 1 194 . 1 1 16 16 GLN HG3 H 1 1.812 0.000 . . . . . A 16 GLN HG3 . 18801 1 195 . 1 1 16 16 GLN HE21 H 1 7.356 0.006 . . . . . A 16 GLN HE21 . 18801 1 196 . 1 1 16 16 GLN HE22 H 1 6.792 0.002 . . . . . A 16 GLN HE22 . 18801 1 197 . 1 1 16 16 GLN C C 13 176.604 0.000 . . . . . A 16 GLN C . 18801 1 198 . 1 1 16 16 GLN CA C 13 56.439 0.000 . . . . . A 16 GLN CA . 18801 1 199 . 1 1 16 16 GLN CB C 13 24.764 0.017 . . . . . A 16 GLN CB . 18801 1 200 . 1 1 16 16 GLN CG C 13 30.853 0.000 . . . . . A 16 GLN CG . 18801 1 201 . 1 1 16 16 GLN CD C 13 175.544 0.019 . . . . . A 16 GLN CD . 18801 1 202 . 1 1 16 16 GLN N N 15 126.339 0.063 . . . . . A 16 GLN N . 18801 1 203 . 1 1 16 16 GLN NE2 N 15 110.612 0.168 . . . . . A 16 GLN NE2 . 18801 1 204 . 1 1 17 17 SER H H 1 8.637 0.013 . . . . . A 17 SER H . 18801 1 205 . 1 1 17 17 SER HA H 1 3.841 0.000 . . . . . A 17 SER HA . 18801 1 206 . 1 1 17 17 SER HB2 H 1 3.819 0.000 . . . . . A 17 SER HB2 . 18801 1 207 . 1 1 17 17 SER HB3 H 1 3.767 0.000 . . . . . A 17 SER HB3 . 18801 1 208 . 1 1 17 17 SER C C 13 176.880 0.000 . . . . . A 17 SER C . 18801 1 209 . 1 1 17 17 SER CA C 13 58.169 0.000 . . . . . A 17 SER CA . 18801 1 210 . 1 1 17 17 SER CB C 13 58.144 0.000 . . . . . A 17 SER CB . 18801 1 211 . 1 1 17 17 SER N N 15 112.691 0.042 . . . . . A 17 SER N . 18801 1 212 . 1 1 18 18 GLU H H 1 6.560 0.004 . . . . . A 18 GLU H . 18801 1 213 . 1 1 18 18 GLU HA H 1 4.044 0.001 . . . . . A 18 GLU HA . 18801 1 214 . 1 1 18 18 GLU HB2 H 1 1.833 0.001 . . . . . A 18 GLU HB2 . 18801 1 215 . 1 1 18 18 GLU HB3 H 1 2.397 0.000 . . . . . A 18 GLU HB3 . 18801 1 216 . 1 1 18 18 GLU HG2 H 1 2.128 0.000 . . . . . A 18 GLU HG2 . 18801 1 217 . 1 1 18 18 GLU HG3 H 1 2.253 0.000 . . . . . A 18 GLU HG3 . 18801 1 218 . 1 1 18 18 GLU C C 13 176.035 0.000 . . . . . A 18 GLU C . 18801 1 219 . 1 1 18 18 GLU CA C 13 55.051 0.003 . . . . . A 18 GLU CA . 18801 1 220 . 1 1 18 18 GLU CB C 13 26.903 0.013 . . . . . A 18 GLU CB . 18801 1 221 . 1 1 18 18 GLU CG C 13 33.938 0.013 . . . . . A 18 GLU CG . 18801 1 222 . 1 1 18 18 GLU N N 15 122.640 0.028 . . . . . A 18 GLU N . 18801 1 223 . 1 1 19 19 ALA H H 1 7.435 0.003 . . . . . A 19 ALA H . 18801 1 224 . 1 1 19 19 ALA HA H 1 3.805 0.000 . . . . . A 19 ALA HA . 18801 1 225 . 1 1 19 19 ALA HB1 H 1 1.163 0.000 . . . . . A 19 ALA HB1 . 18801 1 226 . 1 1 19 19 ALA HB2 H 1 1.163 0.000 . . . . . A 19 ALA HB2 . 18801 1 227 . 1 1 19 19 ALA HB3 H 1 1.163 0.000 . . . . . A 19 ALA HB3 . 18801 1 228 . 1 1 19 19 ALA C C 13 175.728 0.000 . . . . . A 19 ALA C . 18801 1 229 . 1 1 19 19 ALA CA C 13 51.950 0.000 . . . . . A 19 ALA CA . 18801 1 230 . 1 1 19 19 ALA CB C 13 14.490 0.000 . . . . . A 19 ALA CB . 18801 1 231 . 1 1 19 19 ALA N N 15 122.963 0.049 . . . . . A 19 ALA N . 18801 1 232 . 1 1 20 20 LEU H H 1 8.204 0.005 . . . . . A 20 LEU H . 18801 1 233 . 1 1 20 20 LEU HA H 1 3.901 0.000 . . . . . A 20 LEU HA . 18801 1 234 . 1 1 20 20 LEU HB2 H 1 0.900 0.000 . . . . . A 20 LEU HB2 . 18801 1 235 . 1 1 20 20 LEU HB3 H 1 1.625 0.000 . . . . . A 20 LEU HB3 . 18801 1 236 . 1 1 20 20 LEU HG H 1 1.609 0.000 . . . . . A 20 LEU HG . 18801 1 237 . 1 1 20 20 LEU HD11 H 1 0.567 0.000 . . . . . A 20 LEU HD11 . 18801 1 238 . 1 1 20 20 LEU HD12 H 1 0.567 0.000 . . . . . A 20 LEU HD12 . 18801 1 239 . 1 1 20 20 LEU HD13 H 1 0.567 0.000 . . . . . A 20 LEU HD13 . 18801 1 240 . 1 1 20 20 LEU HD21 H 1 0.703 0.000 . . . . . A 20 LEU HD21 . 18801 1 241 . 1 1 20 20 LEU HD22 H 1 0.703 0.000 . . . . . A 20 LEU HD22 . 18801 1 242 . 1 1 20 20 LEU HD23 H 1 0.703 0.000 . . . . . A 20 LEU HD23 . 18801 1 243 . 1 1 20 20 LEU C C 13 174.983 0.000 . . . . . A 20 LEU C . 18801 1 244 . 1 1 20 20 LEU CA C 13 55.009 0.000 . . . . . A 20 LEU CA . 18801 1 245 . 1 1 20 20 LEU CB C 13 38.841 0.033 . . . . . A 20 LEU CB . 18801 1 246 . 1 1 20 20 LEU CG C 13 24.099 0.000 . . . . . A 20 LEU CG . 18801 1 247 . 1 1 20 20 LEU CD1 C 13 24.251 0.000 . . . . . A 20 LEU CD1 . 18801 1 248 . 1 1 20 20 LEU CD2 C 13 20.455 0.000 . . . . . A 20 LEU CD2 . 18801 1 249 . 1 1 20 20 LEU N N 15 117.683 0.025 . . . . . A 20 LEU N . 18801 1 250 . 1 1 21 21 ALA H H 1 7.432 0.002 . . . . . A 21 ALA H . 18801 1 251 . 1 1 21 21 ALA HA H 1 4.144 0.000 . . . . . A 21 ALA HA . 18801 1 252 . 1 1 21 21 ALA HB1 H 1 1.432 0.000 . . . . . A 21 ALA HB1 . 18801 1 253 . 1 1 21 21 ALA HB2 H 1 1.432 0.000 . . . . . A 21 ALA HB2 . 18801 1 254 . 1 1 21 21 ALA HB3 H 1 1.432 0.000 . . . . . A 21 ALA HB3 . 18801 1 255 . 1 1 21 21 ALA C C 13 173.510 0.000 . . . . . A 21 ALA C . 18801 1 256 . 1 1 21 21 ALA CA C 13 52.086 0.000 . . . . . A 21 ALA CA . 18801 1 257 . 1 1 21 21 ALA CB C 13 14.862 0.000 . . . . . A 21 ALA CB . 18801 1 258 . 1 1 21 21 ALA N N 15 122.191 0.166 . . . . . A 21 ALA N . 18801 1 259 . 1 1 22 22 ILE H H 1 7.649 0.001 . . . . . A 22 ILE H . 18801 1 260 . 1 1 22 22 ILE HA H 1 3.403 0.000 . . . . . A 22 ILE HA . 18801 1 261 . 1 1 22 22 ILE HB H 1 1.929 0.000 . . . . . A 22 ILE HB . 18801 1 262 . 1 1 22 22 ILE HG12 H 1 1.702 0.000 . . . . . A 22 ILE HG12 . 18801 1 263 . 1 1 22 22 ILE HG13 H 1 0.856 0.000 . . . . . A 22 ILE HG13 . 18801 1 264 . 1 1 22 22 ILE HG21 H 1 0.680 0.000 . . . . . A 22 ILE HG21 . 18801 1 265 . 1 1 22 22 ILE HG22 H 1 0.680 0.000 . . . . . A 22 ILE HG22 . 18801 1 266 . 1 1 22 22 ILE HG23 H 1 0.680 0.000 . . . . . A 22 ILE HG23 . 18801 1 267 . 1 1 22 22 ILE HD11 H 1 0.612 0.000 . . . . . A 22 ILE HD11 . 18801 1 268 . 1 1 22 22 ILE HD12 H 1 0.612 0.000 . . . . . A 22 ILE HD12 . 18801 1 269 . 1 1 22 22 ILE HD13 H 1 0.612 0.000 . . . . . A 22 ILE HD13 . 18801 1 270 . 1 1 22 22 ILE C C 13 177.128 0.000 . . . . . A 22 ILE C . 18801 1 271 . 1 1 22 22 ILE CA C 13 62.278 0.000 . . . . . A 22 ILE CA . 18801 1 272 . 1 1 22 22 ILE CB C 13 34.307 0.000 . . . . . A 22 ILE CB . 18801 1 273 . 1 1 22 22 ILE CG1 C 13 27.064 0.000 . . . . . A 22 ILE CG1 . 18801 1 274 . 1 1 22 22 ILE CG2 C 13 15.548 0.000 . . . . . A 22 ILE CG2 . 18801 1 275 . 1 1 22 22 ILE CD1 C 13 12.243 0.000 . . . . . A 22 ILE CD1 . 18801 1 276 . 1 1 22 22 ILE N N 15 120.079 0.042 . . . . . A 22 ILE N . 18801 1 277 . 1 1 23 23 MET H H 1 8.008 0.002 . . . . . A 23 MET H . 18801 1 278 . 1 1 23 23 MET HA H 1 4.260 0.000 . . . . . A 23 MET HA . 18801 1 279 . 1 1 23 23 MET HB2 H 1 2.146 0.000 . . . . . A 23 MET HB2 . 18801 1 280 . 1 1 23 23 MET HB3 H 1 2.279 0.000 . . . . . A 23 MET HB3 . 18801 1 281 . 1 1 23 23 MET HG2 H 1 2.701 0.000 . . . . . A 23 MET HG2 . 18801 1 282 . 1 1 23 23 MET HG3 H 1 2.701 0.000 . . . . . A 23 MET HG3 . 18801 1 283 . 1 1 23 23 MET HE1 H 1 0.924 0.000 . . . . . A 23 MET HE1 . 18801 1 284 . 1 1 23 23 MET HE2 H 1 0.924 0.000 . . . . . A 23 MET HE2 . 18801 1 285 . 1 1 23 23 MET HE3 H 1 0.924 0.000 . . . . . A 23 MET HE3 . 18801 1 286 . 1 1 23 23 MET C C 13 175.086 0.000 . . . . . A 23 MET C . 18801 1 287 . 1 1 23 23 MET CA C 13 54.737 0.000 . . . . . A 23 MET CA . 18801 1 288 . 1 1 23 23 MET CB C 13 27.240 0.027 . . . . . A 23 MET CB . 18801 1 289 . 1 1 23 23 MET CG C 13 28.334 0.000 . . . . . A 23 MET CG . 18801 1 290 . 1 1 23 23 MET CE C 13 14.101 0.000 . . . . . A 23 MET CE . 18801 1 291 . 1 1 23 23 MET N N 15 118.682 0.026 . . . . . A 23 MET N . 18801 1 292 . 1 1 24 24 GLU H H 1 7.527 0.000 . . . . . A 24 GLU H . 18801 1 293 . 1 1 24 24 GLU HA H 1 4.005 0.000 . . . . . A 24 GLU HA . 18801 1 294 . 1 1 24 24 GLU HB2 H 1 2.082 0.000 . . . . . A 24 GLU HB2 . 18801 1 295 . 1 1 24 24 GLU HB3 H 1 2.082 0.000 . . . . . A 24 GLU HB3 . 18801 1 296 . 1 1 24 24 GLU HG2 H 1 2.322 0.000 . . . . . A 24 GLU HG2 . 18801 1 297 . 1 1 24 24 GLU HG3 H 1 2.262 0.000 . . . . . A 24 GLU HG3 . 18801 1 298 . 1 1 24 24 GLU C C 13 175.157 0.000 . . . . . A 24 GLU C . 18801 1 299 . 1 1 24 24 GLU CA C 13 56.463 0.000 . . . . . A 24 GLU CA . 18801 1 300 . 1 1 24 24 GLU CB C 13 26.251 0.000 . . . . . A 24 GLU CB . 18801 1 301 . 1 1 24 24 GLU CG C 13 33.055 0.000 . . . . . A 24 GLU CG . 18801 1 302 . 1 1 24 24 GLU N N 15 118.261 0.037 . . . . . A 24 GLU N . 18801 1 303 . 1 1 25 25 LYS H H 1 7.645 0.002 . . . . . A 25 LYS H . 18801 1 304 . 1 1 25 25 LYS HA H 1 4.009 0.000 . . . . . A 25 LYS HA . 18801 1 305 . 1 1 25 25 LYS C C 13 174.603 0.000 . . . . . A 25 LYS C . 18801 1 306 . 1 1 25 25 LYS CA C 13 56.861 0.000 . . . . . A 25 LYS CA . 18801 1 307 . 1 1 25 25 LYS CB C 13 29.809 0.000 . . . . . A 25 LYS CB . 18801 1 308 . 1 1 25 25 LYS N N 15 121.138 0.121 . . . . . A 25 LYS N . 18801 1 309 . 1 1 26 26 LEU H H 1 8.617 0.002 . . . . . A 26 LEU H . 18801 1 310 . 1 1 26 26 LEU HA H 1 4.181 0.000 . . . . . A 26 LEU HA . 18801 1 311 . 1 1 26 26 LEU HB2 H 1 2.045 0.000 . . . . . A 26 LEU HB2 . 18801 1 312 . 1 1 26 26 LEU HB3 H 1 1.495 0.000 . . . . . A 26 LEU HB3 . 18801 1 313 . 1 1 26 26 LEU HG H 1 1.661 0.000 . . . . . A 26 LEU HG . 18801 1 314 . 1 1 26 26 LEU HD11 H 1 0.903 0.000 . . . . . A 26 LEU HD11 . 18801 1 315 . 1 1 26 26 LEU HD12 H 1 0.903 0.000 . . . . . A 26 LEU HD12 . 18801 1 316 . 1 1 26 26 LEU HD13 H 1 0.903 0.000 . . . . . A 26 LEU HD13 . 18801 1 317 . 1 1 26 26 LEU HD21 H 1 0.976 0.000 . . . . . A 26 LEU HD21 . 18801 1 318 . 1 1 26 26 LEU HD22 H 1 0.976 0.000 . . . . . A 26 LEU HD22 . 18801 1 319 . 1 1 26 26 LEU HD23 H 1 0.976 0.000 . . . . . A 26 LEU HD23 . 18801 1 320 . 1 1 26 26 LEU C C 13 172.921 0.000 . . . . . A 26 LEU C . 18801 1 321 . 1 1 26 26 LEU CA C 13 54.907 0.000 . . . . . A 26 LEU CA . 18801 1 322 . 1 1 26 26 LEU CB C 13 38.505 0.006 . . . . . A 26 LEU CB . 18801 1 323 . 1 1 26 26 LEU CG C 13 23.829 0.000 . . . . . A 26 LEU CG . 18801 1 324 . 1 1 26 26 LEU CD1 C 13 21.051 0.000 . . . . . A 26 LEU CD1 . 18801 1 325 . 1 1 26 26 LEU CD2 C 13 24.559 0.000 . . . . . A 26 LEU CD2 . 18801 1 326 . 1 1 26 26 LEU N N 15 121.410 0.032 . . . . . A 26 LEU N . 18801 1 327 . 1 1 27 27 LYS H H 1 8.239 0.002 . . . . . A 27 LYS H . 18801 1 328 . 1 1 27 27 LYS HA H 1 4.023 0.000 . . . . . A 27 LYS HA . 18801 1 329 . 1 1 27 27 LYS C C 13 176.493 0.000 . . . . . A 27 LYS C . 18801 1 330 . 1 1 27 27 LYS CA C 13 56.612 0.000 . . . . . A 27 LYS CA . 18801 1 331 . 1 1 27 27 LYS CB C 13 29.258 0.000 . . . . . A 27 LYS CB . 18801 1 332 . 1 1 27 27 LYS N N 15 121.975 0.096 . . . . . A 27 LYS N . 18801 1 333 . 1 1 28 28 SER H H 1 7.620 0.001 . . . . . A 28 SER H . 18801 1 334 . 1 1 28 28 SER HA H 1 4.472 0.000 . . . . . A 28 SER HA . 18801 1 335 . 1 1 28 28 SER HB2 H 1 4.015 0.000 . . . . . A 28 SER HB2 . 18801 1 336 . 1 1 28 28 SER HB3 H 1 4.100 0.000 . . . . . A 28 SER HB3 . 18801 1 337 . 1 1 28 28 SER C C 13 180.378 0.000 . . . . . A 28 SER C . 18801 1 338 . 1 1 28 28 SER CA C 13 56.232 0.000 . . . . . A 28 SER CA . 18801 1 339 . 1 1 28 28 SER CB C 13 60.798 0.003 . . . . . A 28 SER CB . 18801 1 340 . 1 1 28 28 SER N N 15 113.123 0.033 . . . . . A 28 SER N . 18801 1 341 . 1 1 29 29 GLY H H 1 7.667 0.000 . . . . . A 29 GLY H . 18801 1 342 . 1 1 29 29 GLY HA2 H 1 4.406 0.000 . . . . . A 29 GLY HA2 . 18801 1 343 . 1 1 29 29 GLY HA3 H 1 3.665 0.000 . . . . . A 29 GLY HA3 . 18801 1 344 . 1 1 29 29 GLY C C 13 179.552 0.000 . . . . . A 29 GLY C . 18801 1 345 . 1 1 29 29 GLY CA C 13 42.048 0.005 . . . . . A 29 GLY CA . 18801 1 346 . 1 1 29 29 GLY N N 15 107.497 0.025 . . . . . A 29 GLY N . 18801 1 347 . 1 1 30 30 GLU H H 1 7.690 0.002 . . . . . A 30 GLU H . 18801 1 348 . 1 1 30 30 GLU HA H 1 4.223 0.000 . . . . . A 30 GLU HA . 18801 1 349 . 1 1 30 30 GLU HB2 H 1 1.785 0.000 . . . . . A 30 GLU HB2 . 18801 1 350 . 1 1 30 30 GLU HB3 H 1 1.546 0.000 . . . . . A 30 GLU HB3 . 18801 1 351 . 1 1 30 30 GLU HG2 H 1 2.269 0.000 . . . . . A 30 GLU HG2 . 18801 1 352 . 1 1 30 30 GLU HG3 H 1 2.096 0.000 . . . . . A 30 GLU HG3 . 18801 1 353 . 1 1 30 30 GLU C C 13 178.900 0.000 . . . . . A 30 GLU C . 18801 1 354 . 1 1 30 30 GLU CA C 13 54.202 0.000 . . . . . A 30 GLU CA . 18801 1 355 . 1 1 30 30 GLU CB C 13 27.081 0.009 . . . . . A 30 GLU CB . 18801 1 356 . 1 1 30 30 GLU CG C 13 33.876 0.058 . . . . . A 30 GLU CG . 18801 1 357 . 1 1 30 30 GLU N N 15 121.320 0.049 . . . . . A 30 GLU N . 18801 1 358 . 1 1 31 31 LYS H H 1 8.793 0.023 . . . . . A 31 LYS H . 18801 1 359 . 1 1 31 31 LYS HA H 1 4.231 0.000 . . . . . A 31 LYS HA . 18801 1 360 . 1 1 31 31 LYS HB2 H 1 1.945 0.000 . . . . . A 31 LYS HB2 . 18801 1 361 . 1 1 31 31 LYS HB3 H 1 1.796 0.000 . . . . . A 31 LYS HB3 . 18801 1 362 . 1 1 31 31 LYS HG2 H 1 1.629 0.000 . . . . . A 31 LYS HG2 . 18801 1 363 . 1 1 31 31 LYS HG3 H 1 1.560 0.000 . . . . . A 31 LYS HG3 . 18801 1 364 . 1 1 31 31 LYS HD2 H 1 1.736 0.000 . . . . . A 31 LYS HD2 . 18801 1 365 . 1 1 31 31 LYS HD3 H 1 1.736 0.000 . . . . . A 31 LYS HD3 . 18801 1 366 . 1 1 31 31 LYS HE2 H 1 3.012 0.000 . . . . . A 31 LYS HE2 . 18801 1 367 . 1 1 31 31 LYS HE3 H 1 3.012 0.000 . . . . . A 31 LYS HE3 . 18801 1 368 . 1 1 31 31 LYS C C 13 177.152 0.000 . . . . . A 31 LYS C . 18801 1 369 . 1 1 31 31 LYS CA C 13 53.334 0.000 . . . . . A 31 LYS CA . 18801 1 370 . 1 1 31 31 LYS CB C 13 30.136 0.000 . . . . . A 31 LYS CB . 18801 1 371 . 1 1 31 31 LYS CG C 13 22.555 0.000 . . . . . A 31 LYS CG . 18801 1 372 . 1 1 31 31 LYS CD C 13 25.951 0.000 . . . . . A 31 LYS CD . 18801 1 373 . 1 1 31 31 LYS CE C 13 39.108 0.000 . . . . . A 31 LYS CE . 18801 1 374 . 1 1 31 31 LYS N N 15 122.239 0.170 . . . . . A 31 LYS N . 18801 1 375 . 1 1 32 32 PHE H H 1 9.002 0.015 . . . . . A 32 PHE H . 18801 1 376 . 1 1 32 32 PHE HA H 1 3.635 0.000 . . . . . A 32 PHE HA . 18801 1 377 . 1 1 32 32 PHE HB2 H 1 3.127 0.000 . . . . . A 32 PHE HB2 . 18801 1 378 . 1 1 32 32 PHE HB3 H 1 3.235 0.000 . . . . . A 32 PHE HB3 . 18801 1 379 . 1 1 32 32 PHE HD1 H 1 7.089 0.005 . . . . . A 32 PHE HD1 . 18801 1 380 . 1 1 32 32 PHE HD2 H 1 7.089 0.005 . . . . . A 32 PHE HD2 . 18801 1 381 . 1 1 32 32 PHE HE1 H 1 6.937 0.004 . . . . . A 32 PHE HE1 . 18801 1 382 . 1 1 32 32 PHE HE2 H 1 6.937 0.004 . . . . . A 32 PHE HE2 . 18801 1 383 . 1 1 32 32 PHE HZ H 1 7.278 0.006 . . . . . A 32 PHE HZ . 18801 1 384 . 1 1 32 32 PHE C C 13 177.437 0.000 . . . . . A 32 PHE C . 18801 1 385 . 1 1 32 32 PHE CA C 13 60.082 0.000 . . . . . A 32 PHE CA . 18801 1 386 . 1 1 32 32 PHE CB C 13 37.526 0.029 . . . . . A 32 PHE CB . 18801 1 387 . 1 1 32 32 PHE N N 15 126.167 0.022 . . . . . A 32 PHE N . 18801 1 388 . 1 1 33 33 GLY H H 1 9.168 0.000 . . . . . A 33 GLY H . 18801 1 389 . 1 1 33 33 GLY HA2 H 1 3.927 0.000 . . . . . A 33 GLY HA2 . 18801 1 390 . 1 1 33 33 GLY HA3 H 1 3.927 0.000 . . . . . A 33 GLY HA3 . 18801 1 391 . 1 1 33 33 GLY C C 13 179.280 0.000 . . . . . A 33 GLY C . 18801 1 392 . 1 1 33 33 GLY CA C 13 44.159 0.000 . . . . . A 33 GLY CA . 18801 1 393 . 1 1 33 33 GLY N N 15 103.648 0.072 . . . . . A 33 GLY N . 18801 1 394 . 1 1 34 34 LYS H H 1 6.642 0.007 . . . . . A 34 LYS H . 18801 1 395 . 1 1 34 34 LYS HA H 1 3.970 0.000 . . . . . A 34 LYS HA . 18801 1 396 . 1 1 34 34 LYS C C 13 176.326 0.000 . . . . . A 34 LYS C . 18801 1 397 . 1 1 34 34 LYS CA C 13 56.242 0.000 . . . . . A 34 LYS CA . 18801 1 398 . 1 1 34 34 LYS CB C 13 30.335 0.000 . . . . . A 34 LYS CB . 18801 1 399 . 1 1 34 34 LYS N N 15 120.972 0.052 . . . . . A 34 LYS N . 18801 1 400 . 1 1 35 35 LEU H H 1 7.425 0.006 . . . . . A 35 LEU H . 18801 1 401 . 1 1 35 35 LEU HA H 1 3.903 0.000 . . . . . A 35 LEU HA . 18801 1 402 . 1 1 35 35 LEU HB2 H 1 0.893 0.000 . . . . . A 35 LEU HB2 . 18801 1 403 . 1 1 35 35 LEU HB3 H 1 1.631 0.000 . . . . . A 35 LEU HB3 . 18801 1 404 . 1 1 35 35 LEU HG H 1 1.624 0.000 . . . . . A 35 LEU HG . 18801 1 405 . 1 1 35 35 LEU HD11 H 1 0.565 0.000 . . . . . A 35 LEU HD11 . 18801 1 406 . 1 1 35 35 LEU HD12 H 1 0.565 0.000 . . . . . A 35 LEU HD12 . 18801 1 407 . 1 1 35 35 LEU HD13 H 1 0.565 0.000 . . . . . A 35 LEU HD13 . 18801 1 408 . 1 1 35 35 LEU HD21 H 1 0.708 0.000 . . . . . A 35 LEU HD21 . 18801 1 409 . 1 1 35 35 LEU HD22 H 1 0.708 0.000 . . . . . A 35 LEU HD22 . 18801 1 410 . 1 1 35 35 LEU HD23 H 1 0.708 0.000 . . . . . A 35 LEU HD23 . 18801 1 411 . 1 1 35 35 LEU C C 13 175.872 0.000 . . . . . A 35 LEU C . 18801 1 412 . 1 1 35 35 LEU CA C 13 54.492 0.000 . . . . . A 35 LEU CA . 18801 1 413 . 1 1 35 35 LEU CB C 13 38.770 0.018 . . . . . A 35 LEU CB . 18801 1 414 . 1 1 35 35 LEU CG C 13 24.111 0.000 . . . . . A 35 LEU CG . 18801 1 415 . 1 1 35 35 LEU CD1 C 13 24.701 0.000 . . . . . A 35 LEU CD1 . 18801 1 416 . 1 1 35 35 LEU CD2 C 13 20.747 0.000 . . . . . A 35 LEU CD2 . 18801 1 417 . 1 1 35 35 LEU N N 15 118.154 0.023 . . . . . A 35 LEU N . 18801 1 418 . 1 1 36 36 ALA H H 1 8.229 0.004 . . . . . A 36 ALA H . 18801 1 419 . 1 1 36 36 ALA HA H 1 3.690 0.000 . . . . . A 36 ALA HA . 18801 1 420 . 1 1 36 36 ALA HB1 H 1 1.144 0.000 . . . . . A 36 ALA HB1 . 18801 1 421 . 1 1 36 36 ALA HB2 H 1 1.144 0.000 . . . . . A 36 ALA HB2 . 18801 1 422 . 1 1 36 36 ALA HB3 H 1 1.144 0.000 . . . . . A 36 ALA HB3 . 18801 1 423 . 1 1 36 36 ALA C C 13 176.117 0.000 . . . . . A 36 ALA C . 18801 1 424 . 1 1 36 36 ALA CA C 13 52.574 0.000 . . . . . A 36 ALA CA . 18801 1 425 . 1 1 36 36 ALA CB C 13 14.731 0.000 . . . . . A 36 ALA CB . 18801 1 426 . 1 1 36 36 ALA N N 15 120.438 0.027 . . . . . A 36 ALA N . 18801 1 427 . 1 1 37 37 LYS H H 1 7.568 0.002 . . . . . A 37 LYS H . 18801 1 428 . 1 1 37 37 LYS HA H 1 4.047 0.000 . . . . . A 37 LYS HA . 18801 1 429 . 1 1 37 37 LYS C C 13 175.232 0.000 . . . . . A 37 LYS C . 18801 1 430 . 1 1 37 37 LYS CA C 13 56.418 0.000 . . . . . A 37 LYS CA . 18801 1 431 . 1 1 37 37 LYS CB C 13 29.957 0.000 . . . . . A 37 LYS CB . 18801 1 432 . 1 1 37 37 LYS N N 15 116.463 0.037 . . . . . A 37 LYS N . 18801 1 433 . 1 1 38 38 GLU H H 1 7.766 0.003 . . . . . A 38 GLU H . 18801 1 434 . 1 1 38 38 GLU HA H 1 4.034 0.000 . . . . . A 38 GLU HA . 18801 1 435 . 1 1 38 38 GLU HB2 H 1 1.944 0.000 . . . . . A 38 GLU HB2 . 18801 1 436 . 1 1 38 38 GLU HB3 H 1 1.895 0.000 . . . . . A 38 GLU HB3 . 18801 1 437 . 1 1 38 38 GLU HG2 H 1 2.390 0.000 . . . . . A 38 GLU HG2 . 18801 1 438 . 1 1 38 38 GLU HG3 H 1 2.120 0.000 . . . . . A 38 GLU HG3 . 18801 1 439 . 1 1 38 38 GLU C C 13 176.423 0.000 . . . . . A 38 GLU C . 18801 1 440 . 1 1 38 38 GLU CA C 13 55.769 0.000 . . . . . A 38 GLU CA . 18801 1 441 . 1 1 38 38 GLU CB C 13 28.289 0.000 . . . . . A 38 GLU CB . 18801 1 442 . 1 1 38 38 GLU CG C 13 33.777 0.000 . . . . . A 38 GLU CG . 18801 1 443 . 1 1 38 38 GLU N N 15 115.319 0.031 . . . . . A 38 GLU N . 18801 1 444 . 1 1 39 39 LEU H H 1 8.214 0.022 . . . . . A 39 LEU H . 18801 1 445 . 1 1 39 39 LEU HA H 1 4.495 0.000 . . . . . A 39 LEU HA . 18801 1 446 . 1 1 39 39 LEU HB2 H 1 1.249 0.000 . . . . . A 39 LEU HB2 . 18801 1 447 . 1 1 39 39 LEU HB3 H 1 1.585 0.000 . . . . . A 39 LEU HB3 . 18801 1 448 . 1 1 39 39 LEU HG H 1 1.497 0.000 . . . . . A 39 LEU HG . 18801 1 449 . 1 1 39 39 LEU HD11 H 1 0.756 0.000 . . . . . A 39 LEU HD11 . 18801 1 450 . 1 1 39 39 LEU HD12 H 1 0.756 0.000 . . . . . A 39 LEU HD12 . 18801 1 451 . 1 1 39 39 LEU HD13 H 1 0.756 0.000 . . . . . A 39 LEU HD13 . 18801 1 452 . 1 1 39 39 LEU HD21 H 1 0.714 0.000 . . . . . A 39 LEU HD21 . 18801 1 453 . 1 1 39 39 LEU HD22 H 1 0.714 0.000 . . . . . A 39 LEU HD22 . 18801 1 454 . 1 1 39 39 LEU HD23 H 1 0.714 0.000 . . . . . A 39 LEU HD23 . 18801 1 455 . 1 1 39 39 LEU C C 13 177.452 0.000 . . . . . A 39 LEU C . 18801 1 456 . 1 1 39 39 LEU CA C 13 52.045 0.000 . . . . . A 39 LEU CA . 18801 1 457 . 1 1 39 39 LEU CB C 13 41.820 0.026 . . . . . A 39 LEU CB . 18801 1 458 . 1 1 39 39 LEU CG C 13 23.814 0.000 . . . . . A 39 LEU CG . 18801 1 459 . 1 1 39 39 LEU CD1 C 13 19.666 0.000 . . . . . A 39 LEU CD1 . 18801 1 460 . 1 1 39 39 LEU CD2 C 13 24.062 0.000 . . . . . A 39 LEU CD2 . 18801 1 461 . 1 1 39 39 LEU N N 15 114.689 0.172 . . . . . A 39 LEU N . 18801 1 462 . 1 1 40 40 SER H H 1 7.848 0.003 . . . . . A 40 SER H . 18801 1 463 . 1 1 40 40 SER HA H 1 4.617 0.000 . . . . . A 40 SER HA . 18801 1 464 . 1 1 40 40 SER HB2 H 1 4.162 0.000 . . . . . A 40 SER HB2 . 18801 1 465 . 1 1 40 40 SER HB3 H 1 3.757 0.000 . . . . . A 40 SER HB3 . 18801 1 466 . 1 1 40 40 SER C C 13 177.179 0.000 . . . . . A 40 SER C . 18801 1 467 . 1 1 40 40 SER CA C 13 54.102 0.000 . . . . . A 40 SER CA . 18801 1 468 . 1 1 40 40 SER CB C 13 62.559 0.004 . . . . . A 40 SER CB . 18801 1 469 . 1 1 40 40 SER N N 15 110.112 0.023 . . . . . A 40 SER N . 18801 1 470 . 1 1 41 41 ILE H H 1 9.126 0.001 . . . . . A 41 ILE H . 18801 1 471 . 1 1 41 41 ILE HA H 1 4.370 0.000 . . . . . A 41 ILE HA . 18801 1 472 . 1 1 41 41 ILE HB H 1 2.202 0.000 . . . . . A 41 ILE HB . 18801 1 473 . 1 1 41 41 ILE HG12 H 1 0.939 0.000 . . . . . A 41 ILE HG12 . 18801 1 474 . 1 1 41 41 ILE HG13 H 1 0.919 0.000 . . . . . A 41 ILE HG13 . 18801 1 475 . 1 1 41 41 ILE HG21 H 1 1.014 0.000 . . . . . A 41 ILE HG21 . 18801 1 476 . 1 1 41 41 ILE HG22 H 1 1.014 0.000 . . . . . A 41 ILE HG22 . 18801 1 477 . 1 1 41 41 ILE HG23 H 1 1.014 0.000 . . . . . A 41 ILE HG23 . 18801 1 478 . 1 1 41 41 ILE HD11 H 1 0.749 0.000 . . . . . A 41 ILE HD11 . 18801 1 479 . 1 1 41 41 ILE HD12 H 1 0.749 0.000 . . . . . A 41 ILE HD12 . 18801 1 480 . 1 1 41 41 ILE HD13 H 1 0.749 0.000 . . . . . A 41 ILE HD13 . 18801 1 481 . 1 1 41 41 ILE C C 13 178.010 0.000 . . . . . A 41 ILE C . 18801 1 482 . 1 1 41 41 ILE CA C 13 58.878 0.000 . . . . . A 41 ILE CA . 18801 1 483 . 1 1 41 41 ILE CB C 13 34.345 0.000 . . . . . A 41 ILE CB . 18801 1 484 . 1 1 41 41 ILE CG1 C 13 22.508 0.008 . . . . . A 41 ILE CG1 . 18801 1 485 . 1 1 41 41 ILE CG2 C 13 14.221 0.000 . . . . . A 41 ILE CG2 . 18801 1 486 . 1 1 41 41 ILE CD1 C 13 10.363 0.000 . . . . . A 41 ILE CD1 . 18801 1 487 . 1 1 41 41 ILE N N 15 119.941 0.069 . . . . . A 41 ILE N . 18801 1 488 . 1 1 42 42 ASP H H 1 7.476 0.005 . . . . . A 42 ASP H . 18801 1 489 . 1 1 42 42 ASP HA H 1 4.833 0.000 . . . . . A 42 ASP HA . 18801 1 490 . 1 1 42 42 ASP HB2 H 1 2.520 0.000 . . . . . A 42 ASP HB2 . 18801 1 491 . 1 1 42 42 ASP HB3 H 1 2.367 0.000 . . . . . A 42 ASP HB3 . 18801 1 492 . 1 1 42 42 ASP C C 13 179.215 0.000 . . . . . A 42 ASP C . 18801 1 493 . 1 1 42 42 ASP CA C 13 49.318 0.000 . . . . . A 42 ASP CA . 18801 1 494 . 1 1 42 42 ASP CB C 13 37.216 0.000 . . . . . A 42 ASP CB . 18801 1 495 . 1 1 42 42 ASP N N 15 120.547 0.094 . . . . . A 42 ASP N . 18801 1 496 . 1 1 43 43 SER H H 1 8.215 0.002 . . . . . A 43 SER H . 18801 1 497 . 1 1 43 43 SER HA H 1 4.115 0.000 . . . . . A 43 SER HA . 18801 1 498 . 1 1 43 43 SER HB2 H 1 3.868 0.000 . . . . . A 43 SER HB2 . 18801 1 499 . 1 1 43 43 SER HB3 H 1 3.868 0.000 . . . . . A 43 SER HB3 . 18801 1 500 . 1 1 43 43 SER C C 13 178.349 0.000 . . . . . A 43 SER C . 18801 1 501 . 1 1 43 43 SER CA C 13 58.425 0.000 . . . . . A 43 SER CA . 18801 1 502 . 1 1 43 43 SER CB C 13 59.904 0.000 . . . . . A 43 SER CB . 18801 1 503 . 1 1 43 43 SER N N 15 122.805 0.046 . . . . . A 43 SER N . 18801 1 504 . 1 1 44 44 GLY H H 1 8.384 0.002 . . . . . A 44 GLY H . 18801 1 505 . 1 1 44 44 GLY HA2 H 1 3.860 0.000 . . . . . A 44 GLY HA2 . 18801 1 506 . 1 1 44 44 GLY HA3 H 1 3.860 0.000 . . . . . A 44 GLY HA3 . 18801 1 507 . 1 1 44 44 GLY C C 13 179.677 0.000 . . . . . A 44 GLY C . 18801 1 508 . 1 1 44 44 GLY CA C 13 43.811 0.000 . . . . . A 44 GLY CA . 18801 1 509 . 1 1 44 44 GLY N N 15 107.974 0.049 . . . . . A 44 GLY N . 18801 1 510 . 1 1 45 45 SER H H 1 7.177 0.002 . . . . . A 45 SER H . 18801 1 511 . 1 1 45 45 SER HA H 1 4.493 0.000 . . . . . A 45 SER HA . 18801 1 512 . 1 1 45 45 SER HB2 H 1 3.704 0.000 . . . . . A 45 SER HB2 . 18801 1 513 . 1 1 45 45 SER HB3 H 1 3.637 0.000 . . . . . A 45 SER HB3 . 18801 1 514 . 1 1 45 45 SER C C 13 176.530 0.000 . . . . . A 45 SER C . 18801 1 515 . 1 1 45 45 SER CA C 13 56.718 0.000 . . . . . A 45 SER CA . 18801 1 516 . 1 1 45 45 SER CB C 13 62.291 0.002 . . . . . A 45 SER CB . 18801 1 517 . 1 1 45 45 SER N N 15 110.539 0.025 . . . . . A 45 SER N . 18801 1 518 . 1 1 46 46 ALA H H 1 8.726 0.004 . . . . . A 46 ALA H . 18801 1 519 . 1 1 46 46 ALA HA H 1 3.738 0.000 . . . . . A 46 ALA HA . 18801 1 520 . 1 1 46 46 ALA HB1 H 1 1.429 0.000 . . . . . A 46 ALA HB1 . 18801 1 521 . 1 1 46 46 ALA HB2 H 1 1.429 0.000 . . . . . A 46 ALA HB2 . 18801 1 522 . 1 1 46 46 ALA HB3 H 1 1.429 0.000 . . . . . A 46 ALA HB3 . 18801 1 523 . 1 1 46 46 ALA C C 13 175.404 0.000 . . . . . A 46 ALA C . 18801 1 524 . 1 1 46 46 ALA CA C 13 54.187 0.000 . . . . . A 46 ALA CA . 18801 1 525 . 1 1 46 46 ALA CB C 13 15.937 0.000 . . . . . A 46 ALA CB . 18801 1 526 . 1 1 46 46 ALA N N 15 132.579 0.051 . . . . . A 46 ALA N . 18801 1 527 . 1 1 47 47 LYS H H 1 7.668 0.003 . . . . . A 47 LYS H . 18801 1 528 . 1 1 47 47 LYS HA H 1 4.107 0.000 . . . . . A 47 LYS HA . 18801 1 529 . 1 1 47 47 LYS HB2 H 1 1.921 0.000 . . . . . A 47 LYS HB2 . 18801 1 530 . 1 1 47 47 LYS HB3 H 1 1.889 0.000 . . . . . A 47 LYS HB3 . 18801 1 531 . 1 1 47 47 LYS HG2 H 1 1.461 0.000 . . . . . A 47 LYS HG2 . 18801 1 532 . 1 1 47 47 LYS HG3 H 1 1.461 0.000 . . . . . A 47 LYS HG3 . 18801 1 533 . 1 1 47 47 LYS HD2 H 1 1.608 0.000 . . . . . A 47 LYS HD2 . 18801 1 534 . 1 1 47 47 LYS HD3 H 1 1.608 0.000 . . . . . A 47 LYS HD3 . 18801 1 535 . 1 1 47 47 LYS HE2 H 1 2.948 0.000 . . . . . A 47 LYS HE2 . 18801 1 536 . 1 1 47 47 LYS HE3 H 1 2.948 0.000 . . . . . A 47 LYS HE3 . 18801 1 537 . 1 1 47 47 LYS C C 13 177.450 0.000 . . . . . A 47 LYS C . 18801 1 538 . 1 1 47 47 LYS CA C 13 55.109 0.000 . . . . . A 47 LYS CA . 18801 1 539 . 1 1 47 47 LYS CB C 13 28.849 0.005 . . . . . A 47 LYS CB . 18801 1 540 . 1 1 47 47 LYS CG C 13 22.288 0.000 . . . . . A 47 LYS CG . 18801 1 541 . 1 1 47 47 LYS CD C 13 26.378 0.000 . . . . . A 47 LYS CD . 18801 1 542 . 1 1 47 47 LYS CE C 13 39.203 0.000 . . . . . A 47 LYS CE . 18801 1 543 . 1 1 47 47 LYS N N 15 111.990 0.030 . . . . . A 47 LYS N . 18801 1 544 . 1 1 48 48 LYS H H 1 7.382 0.002 . . . . . A 48 LYS H . 18801 1 545 . 1 1 48 48 LYS HA H 1 4.603 0.000 . . . . . A 48 LYS HA . 18801 1 546 . 1 1 48 48 LYS HB2 H 1 1.800 0.000 . . . . . A 48 LYS HB2 . 18801 1 547 . 1 1 48 48 LYS HB3 H 1 2.196 0.000 . . . . . A 48 LYS HB3 . 18801 1 548 . 1 1 48 48 LYS HG2 H 1 1.401 0.000 . . . . . A 48 LYS HG2 . 18801 1 549 . 1 1 48 48 LYS HG3 H 1 1.327 0.000 . . . . . A 48 LYS HG3 . 18801 1 550 . 1 1 48 48 LYS HD2 H 1 1.683 0.000 . . . . . A 48 LYS HD2 . 18801 1 551 . 1 1 48 48 LYS HD3 H 1 1.683 0.000 . . . . . A 48 LYS HD3 . 18801 1 552 . 1 1 48 48 LYS HE2 H 1 2.938 0.000 . . . . . A 48 LYS HE2 . 18801 1 553 . 1 1 48 48 LYS HE3 H 1 2.938 0.000 . . . . . A 48 LYS HE3 . 18801 1 554 . 1 1 48 48 LYS C C 13 177.786 0.000 . . . . . A 48 LYS C . 18801 1 555 . 1 1 48 48 LYS CA C 13 51.514 0.000 . . . . . A 48 LYS CA . 18801 1 556 . 1 1 48 48 LYS CB C 13 28.458 0.004 . . . . . A 48 LYS CB . 18801 1 557 . 1 1 48 48 LYS CG C 13 21.771 0.000 . . . . . A 48 LYS CG . 18801 1 558 . 1 1 48 48 LYS CD C 13 26.778 0.000 . . . . . A 48 LYS CD . 18801 1 559 . 1 1 48 48 LYS CE C 13 39.156 0.000 . . . . . A 48 LYS CE . 18801 1 560 . 1 1 48 48 LYS N N 15 118.900 0.069 . . . . . A 48 LYS N . 18801 1 561 . 1 1 49 49 ASN H H 1 8.021 0.003 . . . . . A 49 ASN H . 18801 1 562 . 1 1 49 49 ASN HA H 1 4.258 0.000 . . . . . A 49 ASN HA . 18801 1 563 . 1 1 49 49 ASN HB2 H 1 2.974 0.000 . . . . . A 49 ASN HB2 . 18801 1 564 . 1 1 49 49 ASN HB3 H 1 3.063 0.000 . . . . . A 49 ASN HB3 . 18801 1 565 . 1 1 49 49 ASN HD21 H 1 7.268 0.010 . . . . . A 49 ASN HD21 . 18801 1 566 . 1 1 49 49 ASN HD22 H 1 6.742 0.000 . . . . . A 49 ASN HD22 . 18801 1 567 . 1 1 49 49 ASN C C 13 180.354 0.000 . . . . . A 49 ASN C . 18801 1 568 . 1 1 49 49 ASN CA C 13 52.414 0.000 . . . . . A 49 ASN CA . 18801 1 569 . 1 1 49 49 ASN CB C 13 33.322 0.004 . . . . . A 49 ASN CB . 18801 1 570 . 1 1 49 49 ASN CG C 13 177.212 0.018 . . . . . A 49 ASN CG . 18801 1 571 . 1 1 49 49 ASN N N 15 115.995 0.031 . . . . . A 49 ASN N . 18801 1 572 . 1 1 49 49 ASN ND2 N 15 111.485 0.022 . . . . . A 49 ASN ND2 . 18801 1 573 . 1 1 50 50 GLY H H 1 8.512 0.003 . . . . . A 50 GLY H . 18801 1 574 . 1 1 50 50 GLY HA2 H 1 4.349 0.000 . . . . . A 50 GLY HA2 . 18801 1 575 . 1 1 50 50 GLY HA3 H 1 3.666 0.000 . . . . . A 50 GLY HA3 . 18801 1 576 . 1 1 50 50 GLY C C 13 180.665 0.000 . . . . . A 50 GLY C . 18801 1 577 . 1 1 50 50 GLY CA C 13 42.533 0.002 . . . . . A 50 GLY CA . 18801 1 578 . 1 1 50 50 GLY N N 15 104.621 0.029 . . . . . A 50 GLY N . 18801 1 579 . 1 1 51 51 ASN H H 1 7.146 0.005 . . . . . A 51 ASN H . 18801 1 580 . 1 1 51 51 ASN HA H 1 4.799 0.000 . . . . . A 51 ASN HA . 18801 1 581 . 1 1 51 51 ASN HB2 H 1 2.722 0.000 . . . . . A 51 ASN HB2 . 18801 1 582 . 1 1 51 51 ASN HB3 H 1 2.815 0.000 . . . . . A 51 ASN HB3 . 18801 1 583 . 1 1 51 51 ASN HD21 H 1 6.868 0.001 . . . . . A 51 ASN HD21 . 18801 1 584 . 1 1 51 51 ASN HD22 H 1 7.527 0.000 . . . . . A 51 ASN HD22 . 18801 1 585 . 1 1 51 51 ASN C C 13 179.848 0.000 . . . . . A 51 ASN C . 18801 1 586 . 1 1 51 51 ASN CA C 13 52.093 0.000 . . . . . A 51 ASN CA . 18801 1 587 . 1 1 51 51 ASN CB C 13 35.797 0.005 . . . . . A 51 ASN CB . 18801 1 588 . 1 1 51 51 ASN N N 15 118.054 0.024 . . . . . A 51 ASN N . 18801 1 589 . 1 1 51 51 ASN ND2 N 15 115.267 0.040 . . . . . A 51 ASN ND2 . 18801 1 590 . 1 1 52 52 LEU H H 1 8.607 0.001 . . . . . A 52 LEU H . 18801 1 591 . 1 1 52 52 LEU HA H 1 4.320 0.000 . . . . . A 52 LEU HA . 18801 1 592 . 1 1 52 52 LEU HB2 H 1 1.314 0.000 . . . . . A 52 LEU HB2 . 18801 1 593 . 1 1 52 52 LEU HB3 H 1 1.878 0.000 . . . . . A 52 LEU HB3 . 18801 1 594 . 1 1 52 52 LEU HG H 1 1.698 0.000 . . . . . A 52 LEU HG . 18801 1 595 . 1 1 52 52 LEU HD11 H 1 0.509 0.000 . . . . . A 52 LEU HD11 . 18801 1 596 . 1 1 52 52 LEU HD12 H 1 0.509 0.000 . . . . . A 52 LEU HD12 . 18801 1 597 . 1 1 52 52 LEU HD13 H 1 0.509 0.000 . . . . . A 52 LEU HD13 . 18801 1 598 . 1 1 52 52 LEU HD21 H 1 0.144 0.000 . . . . . A 52 LEU HD21 . 18801 1 599 . 1 1 52 52 LEU HD22 H 1 0.144 0.000 . . . . . A 52 LEU HD22 . 18801 1 600 . 1 1 52 52 LEU HD23 H 1 0.144 0.000 . . . . . A 52 LEU HD23 . 18801 1 601 . 1 1 52 52 LEU C C 13 176.682 0.000 . . . . . A 52 LEU C . 18801 1 602 . 1 1 52 52 LEU CA C 13 51.441 0.000 . . . . . A 52 LEU CA . 18801 1 603 . 1 1 52 52 LEU CB C 13 40.462 0.007 . . . . . A 52 LEU CB . 18801 1 604 . 1 1 52 52 LEU CG C 13 23.505 0.000 . . . . . A 52 LEU CG . 18801 1 605 . 1 1 52 52 LEU CD1 C 13 23.364 0.000 . . . . . A 52 LEU CD1 . 18801 1 606 . 1 1 52 52 LEU CD2 C 13 19.290 0.000 . . . . . A 52 LEU CD2 . 18801 1 607 . 1 1 52 52 LEU N N 15 126.673 0.049 . . . . . A 52 LEU N . 18801 1 608 . 1 1 53 53 GLY H H 1 8.121 0.004 . . . . . A 53 GLY H . 18801 1 609 . 1 1 53 53 GLY HA2 H 1 3.508 0.000 . . . . . A 53 GLY HA2 . 18801 1 610 . 1 1 53 53 GLY HA3 H 1 4.166 0.000 . . . . . A 53 GLY HA3 . 18801 1 611 . 1 1 53 53 GLY C C 13 182.708 0.000 . . . . . A 53 GLY C . 18801 1 612 . 1 1 53 53 GLY CA C 13 41.602 0.000 . . . . . A 53 GLY CA . 18801 1 613 . 1 1 53 53 GLY N N 15 108.525 0.075 . . . . . A 53 GLY N . 18801 1 614 . 1 1 54 54 TYR H H 1 8.187 0.004 . . . . . A 54 TYR H . 18801 1 615 . 1 1 54 54 TYR HA H 1 5.182 0.000 . . . . . A 54 TYR HA . 18801 1 616 . 1 1 54 54 TYR HB2 H 1 2.786 0.000 . . . . . A 54 TYR HB2 . 18801 1 617 . 1 1 54 54 TYR HB3 H 1 2.490 0.000 . . . . . A 54 TYR HB3 . 18801 1 618 . 1 1 54 54 TYR HD1 H 1 6.784 0.000 . . . . . A 54 TYR HD1 . 18801 1 619 . 1 1 54 54 TYR HD2 H 1 6.784 0.000 . . . . . A 54 TYR HD2 . 18801 1 620 . 1 1 54 54 TYR HE1 H 1 6.707 0.001 . . . . . A 54 TYR HE1 . 18801 1 621 . 1 1 54 54 TYR HE2 H 1 6.707 0.001 . . . . . A 54 TYR HE2 . 18801 1 622 . 1 1 54 54 TYR C C 13 176.195 0.000 . . . . . A 54 TYR C . 18801 1 623 . 1 1 54 54 TYR CA C 13 55.026 0.000 . . . . . A 54 TYR CA . 18801 1 624 . 1 1 54 54 TYR CB C 13 37.395 0.007 . . . . . A 54 TYR CB . 18801 1 625 . 1 1 54 54 TYR N N 15 114.992 0.002 . . . . . A 54 TYR N . 18801 1 626 . 1 1 55 55 PHE H H 1 9.093 0.002 . . . . . A 55 PHE H . 18801 1 627 . 1 1 55 55 PHE HA H 1 5.103 0.000 . . . . . A 55 PHE HA . 18801 1 628 . 1 1 55 55 PHE HB2 H 1 3.391 0.000 . . . . . A 55 PHE HB2 . 18801 1 629 . 1 1 55 55 PHE HB3 H 1 3.207 0.000 . . . . . A 55 PHE HB3 . 18801 1 630 . 1 1 55 55 PHE HD1 H 1 7.187 0.001 . . . . . A 55 PHE HD1 . 18801 1 631 . 1 1 55 55 PHE HD2 H 1 7.187 0.001 . . . . . A 55 PHE HD2 . 18801 1 632 . 1 1 55 55 PHE HE1 H 1 6.982 0.001 . . . . . A 55 PHE HE1 . 18801 1 633 . 1 1 55 55 PHE HE2 H 1 6.982 0.001 . . . . . A 55 PHE HE2 . 18801 1 634 . 1 1 55 55 PHE HZ H 1 7.075 0.001 . . . . . A 55 PHE HZ . 18801 1 635 . 1 1 55 55 PHE C C 13 181.875 0.000 . . . . . A 55 PHE C . 18801 1 636 . 1 1 55 55 PHE CA C 13 52.925 0.000 . . . . . A 55 PHE CA . 18801 1 637 . 1 1 55 55 PHE CB C 13 38.167 0.003 . . . . . A 55 PHE CB . 18801 1 638 . 1 1 55 55 PHE N N 15 118.041 0.021 . . . . . A 55 PHE N . 18801 1 639 . 1 1 56 56 THR H H 1 7.949 0.001 . . . . . A 56 THR H . 18801 1 640 . 1 1 56 56 THR HA H 1 5.267 0.000 . . . . . A 56 THR HA . 18801 1 641 . 1 1 56 56 THR HB H 1 4.531 0.000 . . . . . A 56 THR HB . 18801 1 642 . 1 1 56 56 THR HG21 H 1 1.199 0.000 . . . . . A 56 THR HG21 . 18801 1 643 . 1 1 56 56 THR HG22 H 1 1.199 0.000 . . . . . A 56 THR HG22 . 18801 1 644 . 1 1 56 56 THR HG23 H 1 1.199 0.000 . . . . . A 56 THR HG23 . 18801 1 645 . 1 1 56 56 THR C C 13 178.403 0.000 . . . . . A 56 THR C . 18801 1 646 . 1 1 56 56 THR CA C 13 56.522 0.000 . . . . . A 56 THR CA . 18801 1 647 . 1 1 56 56 THR CB C 13 69.673 0.000 . . . . . A 56 THR CB . 18801 1 648 . 1 1 56 56 THR CG2 C 13 17.857 0.000 . . . . . A 56 THR CG2 . 18801 1 649 . 1 1 56 56 THR N N 15 109.577 0.024 . . . . . A 56 THR N . 18801 1 650 . 1 1 57 57 LYS H H 1 8.703 0.002 . . . . . A 57 LYS H . 18801 1 651 . 1 1 57 57 LYS HA H 1 3.995 0.000 . . . . . A 57 LYS HA . 18801 1 652 . 1 1 57 57 LYS HB2 H 1 1.493 0.000 . . . . . A 57 LYS HB2 . 18801 1 653 . 1 1 57 57 LYS HB3 H 1 1.594 0.000 . . . . . A 57 LYS HB3 . 18801 1 654 . 1 1 57 57 LYS HG2 H 1 0.460 0.000 . . . . . A 57 LYS HG2 . 18801 1 655 . 1 1 57 57 LYS HG3 H 1 0.826 0.000 . . . . . A 57 LYS HG3 . 18801 1 656 . 1 1 57 57 LYS HD2 H 1 1.212 0.000 . . . . . A 57 LYS HD2 . 18801 1 657 . 1 1 57 57 LYS HD3 H 1 1.245 0.000 . . . . . A 57 LYS HD3 . 18801 1 658 . 1 1 57 57 LYS HE2 H 1 2.349 0.000 . . . . . A 57 LYS HE2 . 18801 1 659 . 1 1 57 57 LYS HE3 H 1 2.349 0.000 . . . . . A 57 LYS HE3 . 18801 1 660 . 1 1 57 57 LYS C C 13 176.706 0.000 . . . . . A 57 LYS C . 18801 1 661 . 1 1 57 57 LYS CA C 13 55.695 0.000 . . . . . A 57 LYS CA . 18801 1 662 . 1 1 57 57 LYS CB C 13 29.384 0.005 . . . . . A 57 LYS CB . 18801 1 663 . 1 1 57 57 LYS CG C 13 23.101 0.051 . . . . . A 57 LYS CG . 18801 1 664 . 1 1 57 57 LYS CD C 13 25.920 0.008 . . . . . A 57 LYS CD . 18801 1 665 . 1 1 57 57 LYS CE C 13 38.748 0.000 . . . . . A 57 LYS CE . 18801 1 666 . 1 1 57 57 LYS N N 15 121.639 0.046 . . . . . A 57 LYS N . 18801 1 667 . 1 1 58 58 GLY H H 1 10.495 0.006 . . . . . A 58 GLY H . 18801 1 668 . 1 1 58 58 GLY HA2 H 1 4.278 0.000 . . . . . A 58 GLY HA2 . 18801 1 669 . 1 1 58 58 GLY HA3 H 1 3.776 0.000 . . . . . A 58 GLY HA3 . 18801 1 670 . 1 1 58 58 GLY C C 13 180.079 0.000 . . . . . A 58 GLY C . 18801 1 671 . 1 1 58 58 GLY CA C 13 42.359 0.000 . . . . . A 58 GLY CA . 18801 1 672 . 1 1 58 58 GLY N N 15 114.416 0.020 . . . . . A 58 GLY N . 18801 1 673 . 1 1 59 59 MET H H 1 7.681 0.001 . . . . . A 59 MET H . 18801 1 674 . 1 1 59 59 MET HA H 1 4.366 0.000 . . . . . A 59 MET HA . 18801 1 675 . 1 1 59 59 MET HB2 H 1 2.089 0.000 . . . . . A 59 MET HB2 . 18801 1 676 . 1 1 59 59 MET HB3 H 1 2.260 0.000 . . . . . A 59 MET HB3 . 18801 1 677 . 1 1 59 59 MET HG2 H 1 2.541 0.000 . . . . . A 59 MET HG2 . 18801 1 678 . 1 1 59 59 MET HG3 H 1 2.557 0.000 . . . . . A 59 MET HG3 . 18801 1 679 . 1 1 59 59 MET HE1 H 1 2.106 0.000 . . . . . A 59 MET HE1 . 18801 1 680 . 1 1 59 59 MET HE2 H 1 2.106 0.000 . . . . . A 59 MET HE2 . 18801 1 681 . 1 1 59 59 MET HE3 H 1 2.106 0.000 . . . . . A 59 MET HE3 . 18801 1 682 . 1 1 59 59 MET C C 13 178.798 0.000 . . . . . A 59 MET C . 18801 1 683 . 1 1 59 59 MET CA C 13 55.129 0.000 . . . . . A 59 MET CA . 18801 1 684 . 1 1 59 59 MET CB C 13 32.196 0.000 . . . . . A 59 MET CB . 18801 1 685 . 1 1 59 59 MET CG C 13 29.534 0.000 . . . . . A 59 MET CG . 18801 1 686 . 1 1 59 59 MET CE C 13 13.202 0.000 . . . . . A 59 MET CE . 18801 1 687 . 1 1 59 59 MET N N 15 118.231 0.017 . . . . . A 59 MET N . 18801 1 688 . 1 1 60 60 MET H H 1 8.905 0.002 . . . . . A 60 MET H . 18801 1 689 . 1 1 60 60 MET HA H 1 4.629 0.000 . . . . . A 60 MET HA . 18801 1 690 . 1 1 60 60 MET HB2 H 1 1.434 0.000 . . . . . A 60 MET HB2 . 18801 1 691 . 1 1 60 60 MET HB3 H 1 1.789 0.000 . . . . . A 60 MET HB3 . 18801 1 692 . 1 1 60 60 MET HG2 H 1 1.364 0.000 . . . . . A 60 MET HG2 . 18801 1 693 . 1 1 60 60 MET HG3 H 1 1.757 0.000 . . . . . A 60 MET HG3 . 18801 1 694 . 1 1 60 60 MET HE1 H 1 2.196 0.000 . . . . . A 60 MET HE1 . 18801 1 695 . 1 1 60 60 MET HE2 H 1 2.196 0.000 . . . . . A 60 MET HE2 . 18801 1 696 . 1 1 60 60 MET HE3 H 1 2.196 0.000 . . . . . A 60 MET HE3 . 18801 1 697 . 1 1 60 60 MET C C 13 178.834 0.000 . . . . . A 60 MET C . 18801 1 698 . 1 1 60 60 MET CA C 13 49.108 0.000 . . . . . A 60 MET CA . 18801 1 699 . 1 1 60 60 MET CB C 13 30.952 0.006 . . . . . A 60 MET CB . 18801 1 700 . 1 1 60 60 MET CG C 13 29.985 0.007 . . . . . A 60 MET CG . 18801 1 701 . 1 1 60 60 MET CE C 13 13.392 0.000 . . . . . A 60 MET CE . 18801 1 702 . 1 1 60 60 MET N N 15 118.667 0.094 . . . . . A 60 MET N . 18801 1 703 . 1 1 61 61 VAL H H 1 8.062 0.001 . . . . . A 61 VAL H . 18801 1 704 . 1 1 61 61 VAL HA H 1 4.156 0.000 . . . . . A 61 VAL HA . 18801 1 705 . 1 1 61 61 VAL HB H 1 2.420 0.000 . . . . . A 61 VAL HB . 18801 1 706 . 1 1 61 61 VAL HG11 H 1 1.134 0.000 . . . . . A 61 VAL HG11 . 18801 1 707 . 1 1 61 61 VAL HG12 H 1 1.134 0.000 . . . . . A 61 VAL HG12 . 18801 1 708 . 1 1 61 61 VAL HG13 H 1 1.134 0.000 . . . . . A 61 VAL HG13 . 18801 1 709 . 1 1 61 61 VAL HG21 H 1 1.102 0.000 . . . . . A 61 VAL HG21 . 18801 1 710 . 1 1 61 61 VAL HG22 H 1 1.102 0.000 . . . . . A 61 VAL HG22 . 18801 1 711 . 1 1 61 61 VAL HG23 H 1 1.102 0.000 . . . . . A 61 VAL HG23 . 18801 1 712 . 1 1 61 61 VAL C C 13 176.731 0.000 . . . . . A 61 VAL C . 18801 1 713 . 1 1 61 61 VAL CA C 13 59.365 0.000 . . . . . A 61 VAL CA . 18801 1 714 . 1 1 61 61 VAL CB C 13 29.681 0.000 . . . . . A 61 VAL CB . 18801 1 715 . 1 1 61 61 VAL CG1 C 13 19.622 0.000 . . . . . A 61 VAL CG1 . 18801 1 716 . 1 1 61 61 VAL CG2 C 13 16.503 0.000 . . . . . A 61 VAL CG2 . 18801 1 717 . 1 1 61 61 VAL N N 15 114.198 0.032 . . . . . A 61 VAL N . 18801 1 718 . 1 1 62 62 LYS H H 1 8.736 0.002 . . . . . A 62 LYS H . 18801 1 719 . 1 1 62 62 LYS HA H 1 4.149 0.000 . . . . . A 62 LYS HA . 18801 1 720 . 1 1 62 62 LYS HB2 H 1 1.963 0.000 . . . . . A 62 LYS HB2 . 18801 1 721 . 1 1 62 62 LYS HB3 H 1 1.870 0.000 . . . . . A 62 LYS HB3 . 18801 1 722 . 1 1 62 62 LYS HG2 H 1 1.484 0.000 . . . . . A 62 LYS HG2 . 18801 1 723 . 1 1 62 62 LYS HG3 H 1 1.406 0.000 . . . . . A 62 LYS HG3 . 18801 1 724 . 1 1 62 62 LYS HD2 H 1 1.740 0.000 . . . . . A 62 LYS HD2 . 18801 1 725 . 1 1 62 62 LYS HD3 H 1 1.740 0.000 . . . . . A 62 LYS HD3 . 18801 1 726 . 1 1 62 62 LYS HE2 H 1 2.984 0.000 . . . . . A 62 LYS HE2 . 18801 1 727 . 1 1 62 62 LYS HE3 H 1 2.984 0.000 . . . . . A 62 LYS HE3 . 18801 1 728 . 1 1 62 62 LYS CA C 13 58.246 0.000 . . . . . A 62 LYS CA . 18801 1 729 . 1 1 62 62 LYS CB C 13 27.150 0.004 . . . . . A 62 LYS CB . 18801 1 730 . 1 1 62 62 LYS CG C 13 22.053 0.000 . . . . . A 62 LYS CG . 18801 1 731 . 1 1 62 62 LYS CD C 13 26.153 0.000 . . . . . A 62 LYS CD . 18801 1 732 . 1 1 62 62 LYS CE C 13 39.352 0.000 . . . . . A 62 LYS CE . 18801 1 733 . 1 1 62 62 LYS N N 15 124.862 0.033 . . . . . A 62 LYS N . 18801 1 734 . 1 1 63 63 PRO HA H 1 4.398 0.000 . . . . . A 63 PRO HA . 18801 1 735 . 1 1 63 63 PRO HB2 H 1 1.603 0.000 . . . . . A 63 PRO HB2 . 18801 1 736 . 1 1 63 63 PRO HB3 H 1 2.352 0.000 . . . . . A 63 PRO HB3 . 18801 1 737 . 1 1 63 63 PRO HG2 H 1 1.958 0.000 . . . . . A 63 PRO HG2 . 18801 1 738 . 1 1 63 63 PRO HG3 H 1 2.186 0.000 . . . . . A 63 PRO HG3 . 18801 1 739 . 1 1 63 63 PRO HD2 H 1 3.723 0.000 . . . . . A 63 PRO HD2 . 18801 1 740 . 1 1 63 63 PRO HD3 H 1 3.802 0.000 . . . . . A 63 PRO HD3 . 18801 1 741 . 1 1 63 63 PRO C C 13 174.841 0.000 . . . . . A 63 PRO C . 18801 1 742 . 1 1 63 63 PRO CA C 13 62.928 0.000 . . . . . A 63 PRO CA . 18801 1 743 . 1 1 63 63 PRO CB C 13 28.227 0.002 . . . . . A 63 PRO CB . 18801 1 744 . 1 1 63 63 PRO CG C 13 26.268 0.019 . . . . . A 63 PRO CG . 18801 1 745 . 1 1 63 63 PRO CD C 13 46.567 0.002 . . . . . A 63 PRO CD . 18801 1 746 . 1 1 64 64 PHE H H 1 6.870 0.001 . . . . . A 64 PHE H . 18801 1 747 . 1 1 64 64 PHE HA H 1 3.634 0.000 . . . . . A 64 PHE HA . 18801 1 748 . 1 1 64 64 PHE HB2 H 1 2.030 0.000 . . . . . A 64 PHE HB2 . 18801 1 749 . 1 1 64 64 PHE HB3 H 1 3.397 0.000 . . . . . A 64 PHE HB3 . 18801 1 750 . 1 1 64 64 PHE HD1 H 1 6.042 0.006 . . . . . A 64 PHE HD1 . 18801 1 751 . 1 1 64 64 PHE HD2 H 1 6.042 0.006 . . . . . A 64 PHE HD2 . 18801 1 752 . 1 1 64 64 PHE HE1 H 1 6.965 0.008 . . . . . A 64 PHE HE1 . 18801 1 753 . 1 1 64 64 PHE HE2 H 1 6.965 0.008 . . . . . A 64 PHE HE2 . 18801 1 754 . 1 1 64 64 PHE HZ H 1 6.538 0.007 . . . . . A 64 PHE HZ . 18801 1 755 . 1 1 64 64 PHE C C 13 178.782 0.000 . . . . . A 64 PHE C . 18801 1 756 . 1 1 64 64 PHE CA C 13 57.693 0.000 . . . . . A 64 PHE CA . 18801 1 757 . 1 1 64 64 PHE CB C 13 37.274 0.018 . . . . . A 64 PHE CB . 18801 1 758 . 1 1 64 64 PHE CD1 C 13 128.064 0.000 . . . . . A 64 PHE CD1 . 18801 1 759 . 1 1 64 64 PHE CD2 C 13 128.064 0.000 . . . . . A 64 PHE CD2 . 18801 1 760 . 1 1 64 64 PHE CE1 C 13 128.202 0.000 . . . . . A 64 PHE CE1 . 18801 1 761 . 1 1 64 64 PHE CE2 C 13 128.202 0.000 . . . . . A 64 PHE CE2 . 18801 1 762 . 1 1 64 64 PHE CZ C 13 126.519 0.000 . . . . . A 64 PHE CZ . 18801 1 763 . 1 1 64 64 PHE N N 15 115.340 0.046 . . . . . A 64 PHE N . 18801 1 764 . 1 1 65 65 GLU H H 1 8.429 0.002 . . . . . A 65 GLU H . 18801 1 765 . 1 1 65 65 GLU HA H 1 3.952 0.000 . . . . . A 65 GLU HA . 18801 1 766 . 1 1 65 65 GLU HB2 H 1 2.273 0.000 . . . . . A 65 GLU HB2 . 18801 1 767 . 1 1 65 65 GLU HB3 H 1 2.273 0.000 . . . . . A 65 GLU HB3 . 18801 1 768 . 1 1 65 65 GLU HG2 H 1 2.458 0.000 . . . . . A 65 GLU HG2 . 18801 1 769 . 1 1 65 65 GLU HG3 H 1 2.458 0.000 . . . . . A 65 GLU HG3 . 18801 1 770 . 1 1 65 65 GLU C C 13 177.209 0.000 . . . . . A 65 GLU C . 18801 1 771 . 1 1 65 65 GLU CA C 13 57.784 0.000 . . . . . A 65 GLU CA . 18801 1 772 . 1 1 65 65 GLU CB C 13 28.089 0.000 . . . . . A 65 GLU CB . 18801 1 773 . 1 1 65 65 GLU CG C 13 34.873 0.000 . . . . . A 65 GLU CG . 18801 1 774 . 1 1 65 65 GLU N N 15 120.356 0.032 . . . . . A 65 GLU N . 18801 1 775 . 1 1 66 66 ASP H H 1 8.925 0.001 . . . . . A 66 ASP H . 18801 1 776 . 1 1 66 66 ASP HA H 1 4.303 0.000 . . . . . A 66 ASP HA . 18801 1 777 . 1 1 66 66 ASP HB2 H 1 2.558 0.000 . . . . . A 66 ASP HB2 . 18801 1 778 . 1 1 66 66 ASP HB3 H 1 2.572 0.000 . . . . . A 66 ASP HB3 . 18801 1 779 . 1 1 66 66 ASP C C 13 176.337 0.000 . . . . . A 66 ASP C . 18801 1 780 . 1 1 66 66 ASP CA C 13 54.027 0.000 . . . . . A 66 ASP CA . 18801 1 781 . 1 1 66 66 ASP CB C 13 37.522 0.004 . . . . . A 66 ASP CB . 18801 1 782 . 1 1 66 66 ASP N N 15 117.560 0.026 . . . . . A 66 ASP N . 18801 1 783 . 1 1 67 67 ALA H H 1 6.805 0.002 . . . . . A 67 ALA H . 18801 1 784 . 1 1 67 67 ALA HA H 1 4.125 0.000 . . . . . A 67 ALA HA . 18801 1 785 . 1 1 67 67 ALA HB1 H 1 1.335 0.000 . . . . . A 67 ALA HB1 . 18801 1 786 . 1 1 67 67 ALA HB2 H 1 1.335 0.000 . . . . . A 67 ALA HB2 . 18801 1 787 . 1 1 67 67 ALA HB3 H 1 1.335 0.000 . . . . . A 67 ALA HB3 . 18801 1 788 . 1 1 67 67 ALA C C 13 174.155 0.000 . . . . . A 67 ALA C . 18801 1 789 . 1 1 67 67 ALA CA C 13 51.107 0.000 . . . . . A 67 ALA CA . 18801 1 790 . 1 1 67 67 ALA CB C 13 17.222 0.000 . . . . . A 67 ALA CB . 18801 1 791 . 1 1 67 67 ALA N N 15 117.959 0.036 . . . . . A 67 ALA N . 18801 1 792 . 1 1 68 68 ALA H H 1 8.836 0.001 . . . . . A 68 ALA H . 18801 1 793 . 1 1 68 68 ALA HA H 1 3.673 0.000 . . . . . A 68 ALA HA . 18801 1 794 . 1 1 68 68 ALA HB1 H 1 1.315 0.000 . . . . . A 68 ALA HB1 . 18801 1 795 . 1 1 68 68 ALA HB2 H 1 1.315 0.000 . . . . . A 68 ALA HB2 . 18801 1 796 . 1 1 68 68 ALA HB3 H 1 1.315 0.000 . . . . . A 68 ALA HB3 . 18801 1 797 . 1 1 68 68 ALA C C 13 175.535 0.000 . . . . . A 68 ALA C . 18801 1 798 . 1 1 68 68 ALA CA C 13 52.324 0.000 . . . . . A 68 ALA CA . 18801 1 799 . 1 1 68 68 ALA CB C 13 15.955 0.000 . . . . . A 68 ALA CB . 18801 1 800 . 1 1 68 68 ALA N N 15 120.884 0.029 . . . . . A 68 ALA N . 18801 1 801 . 1 1 69 69 PHE H H 1 8.087 0.001 . . . . . A 69 PHE H . 18801 1 802 . 1 1 69 69 PHE HA H 1 4.002 0.000 . . . . . A 69 PHE HA . 18801 1 803 . 1 1 69 69 PHE HB2 H 1 3.010 0.000 . . . . . A 69 PHE HB2 . 18801 1 804 . 1 1 69 69 PHE HB3 H 1 3.266 0.000 . . . . . A 69 PHE HB3 . 18801 1 805 . 1 1 69 69 PHE HD1 H 1 7.630 0.003 . . . . . A 69 PHE HD1 . 18801 1 806 . 1 1 69 69 PHE HD2 H 1 7.630 0.003 . . . . . A 69 PHE HD2 . 18801 1 807 . 1 1 69 69 PHE HE1 H 1 7.180 0.001 . . . . . A 69 PHE HE1 . 18801 1 808 . 1 1 69 69 PHE HE2 H 1 7.180 0.001 . . . . . A 69 PHE HE2 . 18801 1 809 . 1 1 69 69 PHE HZ H 1 7.077 0.004 . . . . . A 69 PHE HZ . 18801 1 810 . 1 1 69 69 PHE C C 13 178.751 0.000 . . . . . A 69 PHE C . 18801 1 811 . 1 1 69 69 PHE CA C 13 58.480 0.000 . . . . . A 69 PHE CA . 18801 1 812 . 1 1 69 69 PHE CB C 13 34.828 0.020 . . . . . A 69 PHE CB . 18801 1 813 . 1 1 69 69 PHE N N 15 110.173 0.035 . . . . . A 69 PHE N . 18801 1 814 . 1 1 70 70 LYS H H 1 6.997 0.001 . . . . . A 70 LYS H . 18801 1 815 . 1 1 70 70 LYS HA H 1 4.378 0.000 . . . . . A 70 LYS HA . 18801 1 816 . 1 1 70 70 LYS HB2 H 1 1.947 0.000 . . . . . A 70 LYS HB2 . 18801 1 817 . 1 1 70 70 LYS HB3 H 1 1.738 0.000 . . . . . A 70 LYS HB3 . 18801 1 818 . 1 1 70 70 LYS HG2 H 1 1.647 0.000 . . . . . A 70 LYS HG2 . 18801 1 819 . 1 1 70 70 LYS HG3 H 1 1.438 0.000 . . . . . A 70 LYS HG3 . 18801 1 820 . 1 1 70 70 LYS HD2 H 1 1.667 0.000 . . . . . A 70 LYS HD2 . 18801 1 821 . 1 1 70 70 LYS HD3 H 1 1.667 0.000 . . . . . A 70 LYS HD3 . 18801 1 822 . 1 1 70 70 LYS HE2 H 1 2.944 0.000 . . . . . A 70 LYS HE2 . 18801 1 823 . 1 1 70 70 LYS HE3 H 1 2.944 0.000 . . . . . A 70 LYS HE3 . 18801 1 824 . 1 1 70 70 LYS C C 13 177.534 0.000 . . . . . A 70 LYS C . 18801 1 825 . 1 1 70 70 LYS CA C 13 53.602 0.000 . . . . . A 70 LYS CA . 18801 1 826 . 1 1 70 70 LYS CB C 13 31.105 0.007 . . . . . A 70 LYS CB . 18801 1 827 . 1 1 70 70 LYS CG C 13 22.448 0.018 . . . . . A 70 LYS CG . 18801 1 828 . 1 1 70 70 LYS CD C 13 26.605 0.000 . . . . . A 70 LYS CD . 18801 1 829 . 1 1 70 70 LYS CE C 13 39.052 0.000 . . . . . A 70 LYS CE . 18801 1 830 . 1 1 70 70 LYS N N 15 116.963 0.025 . . . . . A 70 LYS N . 18801 1 831 . 1 1 71 71 LEU H H 1 6.933 0.003 . . . . . A 71 LEU H . 18801 1 832 . 1 1 71 71 LEU HA H 1 4.194 0.000 . . . . . A 71 LEU HA . 18801 1 833 . 1 1 71 71 LEU HB2 H 1 1.636 0.000 . . . . . A 71 LEU HB2 . 18801 1 834 . 1 1 71 71 LEU HB3 H 1 1.385 0.000 . . . . . A 71 LEU HB3 . 18801 1 835 . 1 1 71 71 LEU HG H 1 1.939 0.000 . . . . . A 71 LEU HG . 18801 1 836 . 1 1 71 71 LEU HD11 H 1 0.683 0.000 . . . . . A 71 LEU HD11 . 18801 1 837 . 1 1 71 71 LEU HD12 H 1 0.683 0.000 . . . . . A 71 LEU HD12 . 18801 1 838 . 1 1 71 71 LEU HD13 H 1 0.683 0.000 . . . . . A 71 LEU HD13 . 18801 1 839 . 1 1 71 71 LEU HD21 H 1 0.488 0.000 . . . . . A 71 LEU HD21 . 18801 1 840 . 1 1 71 71 LEU HD22 H 1 0.488 0.000 . . . . . A 71 LEU HD22 . 18801 1 841 . 1 1 71 71 LEU HD23 H 1 0.488 0.000 . . . . . A 71 LEU HD23 . 18801 1 842 . 1 1 71 71 LEU C C 13 176.388 0.000 . . . . . A 71 LEU C . 18801 1 843 . 1 1 71 71 LEU CA C 13 51.970 0.000 . . . . . A 71 LEU CA . 18801 1 844 . 1 1 71 71 LEU CB C 13 39.942 0.010 . . . . . A 71 LEU CB . 18801 1 845 . 1 1 71 71 LEU CG C 13 22.733 0.000 . . . . . A 71 LEU CG . 18801 1 846 . 1 1 71 71 LEU CD1 C 13 23.706 0.000 . . . . . A 71 LEU CD1 . 18801 1 847 . 1 1 71 71 LEU CD2 C 13 18.859 0.000 . . . . . A 71 LEU CD2 . 18801 1 848 . 1 1 71 71 LEU N N 15 118.952 0.023 . . . . . A 71 LEU N . 18801 1 849 . 1 1 72 72 GLN H H 1 9.040 0.003 . . . . . A 72 GLN H . 18801 1 850 . 1 1 72 72 GLN HA H 1 4.320 0.000 . . . . . A 72 GLN HA . 18801 1 851 . 1 1 72 72 GLN HB2 H 1 2.120 0.000 . . . . . A 72 GLN HB2 . 18801 1 852 . 1 1 72 72 GLN HB3 H 1 1.671 0.000 . . . . . A 72 GLN HB3 . 18801 1 853 . 1 1 72 72 GLN HG2 H 1 2.380 0.000 . . . . . A 72 GLN HG2 . 18801 1 854 . 1 1 72 72 GLN HG3 H 1 2.441 0.000 . . . . . A 72 GLN HG3 . 18801 1 855 . 1 1 72 72 GLN HE21 H 1 6.786 0.002 . . . . . A 72 GLN HE21 . 18801 1 856 . 1 1 72 72 GLN HE22 H 1 7.489 0.000 . . . . . A 72 GLN HE22 . 18801 1 857 . 1 1 72 72 GLN C C 13 177.973 0.000 . . . . . A 72 GLN C . 18801 1 858 . 1 1 72 72 GLN CA C 13 51.222 0.000 . . . . . A 72 GLN CA . 18801 1 859 . 1 1 72 72 GLN CB C 13 26.606 0.023 . . . . . A 72 GLN CB . 18801 1 860 . 1 1 72 72 GLN CG C 13 30.908 0.012 . . . . . A 72 GLN CG . 18801 1 861 . 1 1 72 72 GLN CD C 13 174.135 0.012 . . . . . A 72 GLN CD . 18801 1 862 . 1 1 72 72 GLN N N 15 121.738 0.042 . . . . . A 72 GLN N . 18801 1 863 . 1 1 72 72 GLN NE2 N 15 113.521 0.000 . . . . . A 72 GLN NE2 . 18801 1 864 . 1 1 73 73 VAL H H 1 8.759 0.006 . . . . . A 73 VAL H . 18801 1 865 . 1 1 73 73 VAL HA H 1 2.831 0.000 . . . . . A 73 VAL HA . 18801 1 866 . 1 1 73 73 VAL HB H 1 1.810 0.000 . . . . . A 73 VAL HB . 18801 1 867 . 1 1 73 73 VAL HG11 H 1 0.674 0.000 . . . . . A 73 VAL HG11 . 18801 1 868 . 1 1 73 73 VAL HG12 H 1 0.674 0.000 . . . . . A 73 VAL HG12 . 18801 1 869 . 1 1 73 73 VAL HG13 H 1 0.674 0.000 . . . . . A 73 VAL HG13 . 18801 1 870 . 1 1 73 73 VAL HG21 H 1 0.755 0.000 . . . . . A 73 VAL HG21 . 18801 1 871 . 1 1 73 73 VAL HG22 H 1 0.755 0.000 . . . . . A 73 VAL HG22 . 18801 1 872 . 1 1 73 73 VAL HG23 H 1 0.755 0.000 . . . . . A 73 VAL HG23 . 18801 1 873 . 1 1 73 73 VAL C C 13 177.702 0.000 . . . . . A 73 VAL C . 18801 1 874 . 1 1 73 73 VAL CA C 13 64.398 0.000 . . . . . A 73 VAL CA . 18801 1 875 . 1 1 73 73 VAL CB C 13 27.458 0.000 . . . . . A 73 VAL CB . 18801 1 876 . 1 1 73 73 VAL CG1 C 13 18.511 0.000 . . . . . A 73 VAL CG1 . 18801 1 877 . 1 1 73 73 VAL CG2 C 13 19.412 0.000 . . . . . A 73 VAL CG2 . 18801 1 878 . 1 1 73 73 VAL N N 15 122.076 0.024 . . . . . A 73 VAL N . 18801 1 879 . 1 1 74 74 GLY H H 1 8.626 0.001 . . . . . A 74 GLY H . 18801 1 880 . 1 1 74 74 GLY HA2 H 1 4.192 0.000 . . . . . A 74 GLY HA2 . 18801 1 881 . 1 1 74 74 GLY HA3 H 1 3.256 0.000 . . . . . A 74 GLY HA3 . 18801 1 882 . 1 1 74 74 GLY C C 13 181.597 0.000 . . . . . A 74 GLY C . 18801 1 883 . 1 1 74 74 GLY CA C 13 41.859 0.000 . . . . . A 74 GLY CA . 18801 1 884 . 1 1 74 74 GLY N N 15 117.298 0.026 . . . . . A 74 GLY N . 18801 1 885 . 1 1 75 75 GLU H H 1 7.877 0.002 . . . . . A 75 GLU H . 18801 1 886 . 1 1 75 75 GLU HA H 1 4.136 0.000 . . . . . A 75 GLU HA . 18801 1 887 . 1 1 75 75 GLU HB2 H 1 1.874 0.000 . . . . . A 75 GLU HB2 . 18801 1 888 . 1 1 75 75 GLU HB3 H 1 2.022 0.000 . . . . . A 75 GLU HB3 . 18801 1 889 . 1 1 75 75 GLU HG2 H 1 2.093 0.000 . . . . . A 75 GLU HG2 . 18801 1 890 . 1 1 75 75 GLU HG3 H 1 2.214 0.000 . . . . . A 75 GLU HG3 . 18801 1 891 . 1 1 75 75 GLU C C 13 180.891 0.000 . . . . . A 75 GLU C . 18801 1 892 . 1 1 75 75 GLU CA C 13 53.363 0.000 . . . . . A 75 GLU CA . 18801 1 893 . 1 1 75 75 GLU CB C 13 29.409 0.000 . . . . . A 75 GLU CB . 18801 1 894 . 1 1 75 75 GLU CG C 13 34.189 0.010 . . . . . A 75 GLU CG . 18801 1 895 . 1 1 75 75 GLU N N 15 122.135 0.129 . . . . . A 75 GLU N . 18801 1 896 . 1 1 76 76 VAL H H 1 7.877 0.003 . . . . . A 76 VAL H . 18801 1 897 . 1 1 76 76 VAL HA H 1 4.940 0.000 . . . . . A 76 VAL HA . 18801 1 898 . 1 1 76 76 VAL HB H 1 1.765 0.000 . . . . . A 76 VAL HB . 18801 1 899 . 1 1 76 76 VAL HG11 H 1 1.082 0.000 . . . . . A 76 VAL HG11 . 18801 1 900 . 1 1 76 76 VAL HG12 H 1 1.082 0.000 . . . . . A 76 VAL HG12 . 18801 1 901 . 1 1 76 76 VAL HG13 H 1 1.082 0.000 . . . . . A 76 VAL HG13 . 18801 1 902 . 1 1 76 76 VAL HG21 H 1 0.822 0.000 . . . . . A 76 VAL HG21 . 18801 1 903 . 1 1 76 76 VAL HG22 H 1 0.822 0.000 . . . . . A 76 VAL HG22 . 18801 1 904 . 1 1 76 76 VAL HG23 H 1 0.822 0.000 . . . . . A 76 VAL HG23 . 18801 1 905 . 1 1 76 76 VAL C C 13 177.920 0.000 . . . . . A 76 VAL C . 18801 1 906 . 1 1 76 76 VAL CA C 13 56.931 0.000 . . . . . A 76 VAL CA . 18801 1 907 . 1 1 76 76 VAL CB C 13 31.041 0.000 . . . . . A 76 VAL CB . 18801 1 908 . 1 1 76 76 VAL CG1 C 13 19.078 0.000 . . . . . A 76 VAL CG1 . 18801 1 909 . 1 1 76 76 VAL CG2 C 13 19.113 0.000 . . . . . A 76 VAL CG2 . 18801 1 910 . 1 1 76 76 VAL N N 15 121.950 0.005 . . . . . A 76 VAL N . 18801 1 911 . 1 1 77 77 SER H H 1 9.611 0.016 . . . . . A 77 SER H . 18801 1 912 . 1 1 77 77 SER HA H 1 4.275 0.000 . . . . . A 77 SER HA . 18801 1 913 . 1 1 77 77 SER HB2 H 1 3.658 0.000 . . . . . A 77 SER HB2 . 18801 1 914 . 1 1 77 77 SER HB3 H 1 3.658 0.000 . . . . . A 77 SER HB3 . 18801 1 915 . 1 1 77 77 SER C C 13 181.544 0.000 . . . . . A 77 SER C . 18801 1 916 . 1 1 77 77 SER CA C 13 56.028 0.000 . . . . . A 77 SER CA . 18801 1 917 . 1 1 77 77 SER CB C 13 62.729 0.000 . . . . . A 77 SER CB . 18801 1 918 . 1 1 77 77 SER N N 15 125.434 0.018 . . . . . A 77 SER N . 18801 1 919 . 1 1 78 78 GLU H H 1 7.589 0.003 . . . . . A 78 GLU H . 18801 1 920 . 1 1 78 78 GLU HA H 1 4.611 0.000 . . . . . A 78 GLU HA . 18801 1 921 . 1 1 78 78 GLU HB2 H 1 2.159 0.000 . . . . . A 78 GLU HB2 . 18801 1 922 . 1 1 78 78 GLU HB3 H 1 1.785 0.000 . . . . . A 78 GLU HB3 . 18801 1 923 . 1 1 78 78 GLU HG2 H 1 2.276 0.000 . . . . . A 78 GLU HG2 . 18801 1 924 . 1 1 78 78 GLU HG3 H 1 2.313 0.000 . . . . . A 78 GLU HG3 . 18801 1 925 . 1 1 78 78 GLU CA C 13 52.746 0.000 . . . . . A 78 GLU CA . 18801 1 926 . 1 1 78 78 GLU CB C 13 25.504 0.001 . . . . . A 78 GLU CB . 18801 1 927 . 1 1 78 78 GLU CG C 13 33.704 0.007 . . . . . A 78 GLU CG . 18801 1 928 . 1 1 78 78 GLU N N 15 114.680 0.028 . . . . . A 78 GLU N . 18801 1 929 . 1 1 79 79 PRO HA H 1 4.730 0.000 . . . . . A 79 PRO HA . 18801 1 930 . 1 1 79 79 PRO HB2 H 1 2.047 0.000 . . . . . A 79 PRO HB2 . 18801 1 931 . 1 1 79 79 PRO HB3 H 1 1.815 0.000 . . . . . A 79 PRO HB3 . 18801 1 932 . 1 1 79 79 PRO HG2 H 1 1.609 0.000 . . . . . A 79 PRO HG2 . 18801 1 933 . 1 1 79 79 PRO HG3 H 1 1.923 0.000 . . . . . A 79 PRO HG3 . 18801 1 934 . 1 1 79 79 PRO HD2 H 1 3.901 0.000 . . . . . A 79 PRO HD2 . 18801 1 935 . 1 1 79 79 PRO HD3 H 1 3.619 0.000 . . . . . A 79 PRO HD3 . 18801 1 936 . 1 1 79 79 PRO C C 13 177.642 0.000 . . . . . A 79 PRO C . 18801 1 937 . 1 1 79 79 PRO CA C 13 60.478 0.000 . . . . . A 79 PRO CA . 18801 1 938 . 1 1 79 79 PRO CB C 13 28.300 0.014 . . . . . A 79 PRO CB . 18801 1 939 . 1 1 79 79 PRO CG C 13 25.886 0.008 . . . . . A 79 PRO CG . 18801 1 940 . 1 1 79 79 PRO CD C 13 47.175 0.007 . . . . . A 79 PRO CD . 18801 1 941 . 1 1 80 80 ILE H H 1 9.614 0.004 . . . . . A 80 ILE H . 18801 1 942 . 1 1 80 80 ILE HA H 1 4.500 0.000 . . . . . A 80 ILE HA . 18801 1 943 . 1 1 80 80 ILE HB H 1 2.060 0.000 . . . . . A 80 ILE HB . 18801 1 944 . 1 1 80 80 ILE HG12 H 1 1.122 0.000 . . . . . A 80 ILE HG12 . 18801 1 945 . 1 1 80 80 ILE HG13 H 1 1.935 0.000 . . . . . A 80 ILE HG13 . 18801 1 946 . 1 1 80 80 ILE HG21 H 1 0.748 0.000 . . . . . A 80 ILE HG21 . 18801 1 947 . 1 1 80 80 ILE HG22 H 1 0.748 0.000 . . . . . A 80 ILE HG22 . 18801 1 948 . 1 1 80 80 ILE HG23 H 1 0.748 0.000 . . . . . A 80 ILE HG23 . 18801 1 949 . 1 1 80 80 ILE HD11 H 1 0.635 0.000 . . . . . A 80 ILE HD11 . 18801 1 950 . 1 1 80 80 ILE HD12 H 1 0.635 0.000 . . . . . A 80 ILE HD12 . 18801 1 951 . 1 1 80 80 ILE HD13 H 1 0.635 0.000 . . . . . A 80 ILE HD13 . 18801 1 952 . 1 1 80 80 ILE C C 13 179.315 0.000 . . . . . A 80 ILE C . 18801 1 953 . 1 1 80 80 ILE CA C 13 54.708 0.000 . . . . . A 80 ILE CA . 18801 1 954 . 1 1 80 80 ILE CB C 13 37.118 0.000 . . . . . A 80 ILE CB . 18801 1 955 . 1 1 80 80 ILE CG1 C 13 22.902 0.034 . . . . . A 80 ILE CG1 . 18801 1 956 . 1 1 80 80 ILE CG2 C 13 14.814 0.000 . . . . . A 80 ILE CG2 . 18801 1 957 . 1 1 80 80 ILE CD1 C 13 8.594 0.000 . . . . . A 80 ILE CD1 . 18801 1 958 . 1 1 80 80 ILE N N 15 127.418 0.025 . . . . . A 80 ILE N . 18801 1 959 . 1 1 81 81 LYS H H 1 8.637 0.002 . . . . . A 81 LYS H . 18801 1 960 . 1 1 81 81 LYS HA H 1 4.276 0.000 . . . . . A 81 LYS HA . 18801 1 961 . 1 1 81 81 LYS HB2 H 1 1.360 0.000 . . . . . A 81 LYS HB2 . 18801 1 962 . 1 1 81 81 LYS HB3 H 1 1.660 0.000 . . . . . A 81 LYS HB3 . 18801 1 963 . 1 1 81 81 LYS HG2 H 1 0.680 0.000 . . . . . A 81 LYS HG2 . 18801 1 964 . 1 1 81 81 LYS HG3 H 1 1.049 0.000 . . . . . A 81 LYS HG3 . 18801 1 965 . 1 1 81 81 LYS HD2 H 1 1.134 0.000 . . . . . A 81 LYS HD2 . 18801 1 966 . 1 1 81 81 LYS HD3 H 1 1.484 0.000 . . . . . A 81 LYS HD3 . 18801 1 967 . 1 1 81 81 LYS HE2 H 1 2.796 0.000 . . . . . A 81 LYS HE2 . 18801 1 968 . 1 1 81 81 LYS HE3 H 1 2.849 0.000 . . . . . A 81 LYS HE3 . 18801 1 969 . 1 1 81 81 LYS C C 13 179.186 0.000 . . . . . A 81 LYS C . 18801 1 970 . 1 1 81 81 LYS CA C 13 52.880 0.000 . . . . . A 81 LYS CA . 18801 1 971 . 1 1 81 81 LYS CB C 13 30.805 0.007 . . . . . A 81 LYS CB . 18801 1 972 . 1 1 81 81 LYS CG C 13 22.138 0.009 . . . . . A 81 LYS CG . 18801 1 973 . 1 1 81 81 LYS CD C 13 25.804 0.004 . . . . . A 81 LYS CD . 18801 1 974 . 1 1 81 81 LYS CE C 13 39.485 0.000 . . . . . A 81 LYS CE . 18801 1 975 . 1 1 81 81 LYS N N 15 129.156 0.021 . . . . . A 81 LYS N . 18801 1 976 . 1 1 82 82 SER H H 1 9.532 0.003 . . . . . A 82 SER H . 18801 1 977 . 1 1 82 82 SER HA H 1 4.836 0.000 . . . . . A 82 SER HA . 18801 1 978 . 1 1 82 82 SER HB2 H 1 4.502 0.000 . . . . . A 82 SER HB2 . 18801 1 979 . 1 1 82 82 SER HB3 H 1 3.750 0.000 . . . . . A 82 SER HB3 . 18801 1 980 . 1 1 82 82 SER C C 13 179.369 0.000 . . . . . A 82 SER C . 18801 1 981 . 1 1 82 82 SER CA C 13 53.893 0.000 . . . . . A 82 SER CA . 18801 1 982 . 1 1 82 82 SER CB C 13 64.579 0.012 . . . . . A 82 SER CB . 18801 1 983 . 1 1 82 82 SER N N 15 125.346 0.042 . . . . . A 82 SER N . 18801 1 984 . 1 1 83 83 GLU H H 1 9.535 0.007 . . . . . A 83 GLU H . 18801 1 985 . 1 1 83 83 GLU HA H 1 4.048 0.000 . . . . . A 83 GLU HA . 18801 1 986 . 1 1 83 83 GLU HB2 H 1 1.785 0.000 . . . . . A 83 GLU HB2 . 18801 1 987 . 1 1 83 83 GLU HB3 H 1 1.703 0.000 . . . . . A 83 GLU HB3 . 18801 1 988 . 1 1 83 83 GLU HG2 H 1 1.274 0.000 . . . . . A 83 GLU HG2 . 18801 1 989 . 1 1 83 83 GLU HG3 H 1 1.472 0.000 . . . . . A 83 GLU HG3 . 18801 1 990 . 1 1 83 83 GLU C C 13 177.803 0.000 . . . . . A 83 GLU C . 18801 1 991 . 1 1 83 83 GLU CA C 13 55.358 0.000 . . . . . A 83 GLU CA . 18801 1 992 . 1 1 83 83 GLU CB C 13 26.345 0.005 . . . . . A 83 GLU CB . 18801 1 993 . 1 1 83 83 GLU CG C 13 32.506 0.000 . . . . . A 83 GLU CG . 18801 1 994 . 1 1 83 83 GLU N N 15 118.760 0.036 . . . . . A 83 GLU N . 18801 1 995 . 1 1 84 84 PHE H H 1 8.803 0.001 . . . . . A 84 PHE H . 18801 1 996 . 1 1 84 84 PHE HA H 1 4.528 0.000 . . . . . A 84 PHE HA . 18801 1 997 . 1 1 84 84 PHE HB2 H 1 2.593 0.000 . . . . . A 84 PHE HB2 . 18801 1 998 . 1 1 84 84 PHE HB3 H 1 3.260 0.000 . . . . . A 84 PHE HB3 . 18801 1 999 . 1 1 84 84 PHE HD1 H 1 7.304 0.001 . . . . . A 84 PHE HD1 . 18801 1 1000 . 1 1 84 84 PHE HD2 H 1 7.304 0.001 . . . . . A 84 PHE HD2 . 18801 1 1001 . 1 1 84 84 PHE HE1 H 1 7.332 0.002 . . . . . A 84 PHE HE1 . 18801 1 1002 . 1 1 84 84 PHE HE2 H 1 7.332 0.002 . . . . . A 84 PHE HE2 . 18801 1 1003 . 1 1 84 84 PHE HZ H 1 7.212 0.001 . . . . . A 84 PHE HZ . 18801 1 1004 . 1 1 84 84 PHE C C 13 179.367 0.000 . . . . . A 84 PHE C . 18801 1 1005 . 1 1 84 84 PHE CA C 13 55.118 0.000 . . . . . A 84 PHE CA . 18801 1 1006 . 1 1 84 84 PHE CB C 13 37.036 0.011 . . . . . A 84 PHE CB . 18801 1 1007 . 1 1 84 84 PHE N N 15 118.360 0.030 . . . . . A 84 PHE N . 18801 1 1008 . 1 1 85 85 GLY H H 1 7.323 0.001 . . . . . A 85 GLY H . 18801 1 1009 . 1 1 85 85 GLY HA2 H 1 3.599 0.000 . . . . . A 85 GLY HA2 . 18801 1 1010 . 1 1 85 85 GLY HA3 H 1 4.339 0.000 . . . . . A 85 GLY HA3 . 18801 1 1011 . 1 1 85 85 GLY C C 13 184.805 0.000 . . . . . A 85 GLY C . 18801 1 1012 . 1 1 85 85 GLY CA C 13 41.678 0.006 . . . . . A 85 GLY CA . 18801 1 1013 . 1 1 85 85 GLY N N 15 107.365 0.047 . . . . . A 85 GLY N . 18801 1 1014 . 1 1 86 86 TYR H H 1 8.990 0.003 . . . . . A 86 TYR H . 18801 1 1015 . 1 1 86 86 TYR HA H 1 4.995 0.000 . . . . . A 86 TYR HA . 18801 1 1016 . 1 1 86 86 TYR HB2 H 1 2.539 0.000 . . . . . A 86 TYR HB2 . 18801 1 1017 . 1 1 86 86 TYR HB3 H 1 2.178 0.000 . . . . . A 86 TYR HB3 . 18801 1 1018 . 1 1 86 86 TYR HD1 H 1 6.629 0.010 . . . . . A 86 TYR HD1 . 18801 1 1019 . 1 1 86 86 TYR HD2 H 1 6.629 0.010 . . . . . A 86 TYR HD2 . 18801 1 1020 . 1 1 86 86 TYR HE1 H 1 6.811 0.005 . . . . . A 86 TYR HE1 . 18801 1 1021 . 1 1 86 86 TYR HE2 H 1 6.811 0.005 . . . . . A 86 TYR HE2 . 18801 1 1022 . 1 1 86 86 TYR C C 13 180.178 0.000 . . . . . A 86 TYR C . 18801 1 1023 . 1 1 86 86 TYR CA C 13 54.376 0.000 . . . . . A 86 TYR CA . 18801 1 1024 . 1 1 86 86 TYR CB C 13 38.443 0.007 . . . . . A 86 TYR CB . 18801 1 1025 . 1 1 86 86 TYR CD1 C 13 129.505 0.000 . . . . . A 86 TYR CD1 . 18801 1 1026 . 1 1 86 86 TYR CD2 C 13 129.505 0.000 . . . . . A 86 TYR CD2 . 18801 1 1027 . 1 1 86 86 TYR CE1 C 13 115.502 0.000 . . . . . A 86 TYR CE1 . 18801 1 1028 . 1 1 86 86 TYR CE2 C 13 115.502 0.000 . . . . . A 86 TYR CE2 . 18801 1 1029 . 1 1 86 86 TYR N N 15 119.303 0.046 . . . . . A 86 TYR N . 18801 1 1030 . 1 1 87 87 HIS H H 1 9.791 0.015 . . . . . A 87 HIS H . 18801 1 1031 . 1 1 87 87 HIS HA H 1 5.531 0.000 . . . . . A 87 HIS HA . 18801 1 1032 . 1 1 87 87 HIS HB2 H 1 3.183 0.000 . . . . . A 87 HIS HB2 . 18801 1 1033 . 1 1 87 87 HIS HB3 H 1 2.984 0.000 . . . . . A 87 HIS HB3 . 18801 1 1034 . 1 1 87 87 HIS HD2 H 1 7.131 0.000 . . . . . A 87 HIS HD2 . 18801 1 1035 . 1 1 87 87 HIS HE1 H 1 7.763 0.007 . . . . . A 87 HIS HE1 . 18801 1 1036 . 1 1 87 87 HIS CA C 13 51.473 0.000 . . . . . A 87 HIS CA . 18801 1 1037 . 1 1 87 87 HIS CB C 13 28.179 0.005 . . . . . A 87 HIS CB . 18801 1 1038 . 1 1 87 87 HIS CE1 C 13 133.883 0.000 . . . . . A 87 HIS CE1 . 18801 1 1039 . 1 1 87 87 HIS N N 15 120.588 0.043 . . . . . A 87 HIS N . 18801 1 1040 . 1 1 88 88 ILE H H 1 9.161 0.004 . . . . . A 88 ILE H . 18801 1 1041 . 1 1 88 88 ILE HA H 1 4.045 0.000 . . . . . A 88 ILE HA . 18801 1 1042 . 1 1 88 88 ILE HB H 1 1.643 0.000 . . . . . A 88 ILE HB . 18801 1 1043 . 1 1 88 88 ILE HG12 H 1 1.339 0.000 . . . . . A 88 ILE HG12 . 18801 1 1044 . 1 1 88 88 ILE HG13 H 1 1.106 0.000 . . . . . A 88 ILE HG13 . 18801 1 1045 . 1 1 88 88 ILE HG21 H 1 0.973 0.000 . . . . . A 88 ILE HG21 . 18801 1 1046 . 1 1 88 88 ILE HG22 H 1 0.973 0.000 . . . . . A 88 ILE HG22 . 18801 1 1047 . 1 1 88 88 ILE HG23 H 1 0.973 0.000 . . . . . A 88 ILE HG23 . 18801 1 1048 . 1 1 88 88 ILE HD11 H 1 0.816 0.000 . . . . . A 88 ILE HD11 . 18801 1 1049 . 1 1 88 88 ILE HD12 H 1 0.816 0.000 . . . . . A 88 ILE HD12 . 18801 1 1050 . 1 1 88 88 ILE HD13 H 1 0.816 0.000 . . . . . A 88 ILE HD13 . 18801 1 1051 . 1 1 88 88 ILE C C 13 179.375 0.000 . . . . . A 88 ILE C . 18801 1 1052 . 1 1 88 88 ILE CA C 13 59.223 0.000 . . . . . A 88 ILE CA . 18801 1 1053 . 1 1 88 88 ILE CB C 13 37.353 0.000 . . . . . A 88 ILE CB . 18801 1 1054 . 1 1 88 88 ILE CG1 C 13 25.245 0.021 . . . . . A 88 ILE CG1 . 18801 1 1055 . 1 1 88 88 ILE CG2 C 13 16.687 0.000 . . . . . A 88 ILE CG2 . 18801 1 1056 . 1 1 88 88 ILE CD1 C 13 12.036 0.000 . . . . . A 88 ILE CD1 . 18801 1 1057 . 1 1 88 88 ILE N N 15 122.986 0.047 . . . . . A 88 ILE N . 18801 1 1058 . 1 1 89 89 ILE H H 1 8.568 0.003 . . . . . A 89 ILE H . 18801 1 1059 . 1 1 89 89 ILE HA H 1 4.781 0.000 . . . . . A 89 ILE HA . 18801 1 1060 . 1 1 89 89 ILE HB H 1 1.308 0.000 . . . . . A 89 ILE HB . 18801 1 1061 . 1 1 89 89 ILE HG12 H 1 0.503 0.000 . . . . . A 89 ILE HG12 . 18801 1 1062 . 1 1 89 89 ILE HG13 H 1 1.450 0.000 . . . . . A 89 ILE HG13 . 18801 1 1063 . 1 1 89 89 ILE HG21 H 1 0.603 0.000 . . . . . A 89 ILE HG21 . 18801 1 1064 . 1 1 89 89 ILE HG22 H 1 0.603 0.000 . . . . . A 89 ILE HG22 . 18801 1 1065 . 1 1 89 89 ILE HG23 H 1 0.603 0.000 . . . . . A 89 ILE HG23 . 18801 1 1066 . 1 1 89 89 ILE HD11 H 1 -0.119 0.000 . . . . . A 89 ILE HD11 . 18801 1 1067 . 1 1 89 89 ILE HD12 H 1 -0.119 0.000 . . . . . A 89 ILE HD12 . 18801 1 1068 . 1 1 89 89 ILE HD13 H 1 -0.119 0.000 . . . . . A 89 ILE HD13 . 18801 1 1069 . 1 1 89 89 ILE C C 13 181.174 0.000 . . . . . A 89 ILE C . 18801 1 1070 . 1 1 89 89 ILE CA C 13 57.728 0.000 . . . . . A 89 ILE CA . 18801 1 1071 . 1 1 89 89 ILE CB C 13 38.596 0.000 . . . . . A 89 ILE CB . 18801 1 1072 . 1 1 89 89 ILE CG1 C 13 24.606 0.042 . . . . . A 89 ILE CG1 . 18801 1 1073 . 1 1 89 89 ILE CG2 C 13 15.262 0.000 . . . . . A 89 ILE CG2 . 18801 1 1074 . 1 1 89 89 ILE CD1 C 13 11.194 0.000 . . . . . A 89 ILE CD1 . 18801 1 1075 . 1 1 89 89 ILE N N 15 128.220 0.032 . . . . . A 89 ILE N . 18801 1 1076 . 1 1 90 90 LYS H H 1 8.580 0.004 . . . . . A 90 LYS H . 18801 1 1077 . 1 1 90 90 LYS HA H 1 5.164 0.000 . . . . . A 90 LYS HA . 18801 1 1078 . 1 1 90 90 LYS HB2 H 1 0.524 0.000 . . . . . A 90 LYS HB2 . 18801 1 1079 . 1 1 90 90 LYS HB3 H 1 0.375 0.000 . . . . . A 90 LYS HB3 . 18801 1 1080 . 1 1 90 90 LYS HG2 H 1 0.478 0.000 . . . . . A 90 LYS HG2 . 18801 1 1081 . 1 1 90 90 LYS HG3 H 1 -0.323 0.000 . . . . . A 90 LYS HG3 . 18801 1 1082 . 1 1 90 90 LYS HD2 H 1 0.658 0.000 . . . . . A 90 LYS HD2 . 18801 1 1083 . 1 1 90 90 LYS HD3 H 1 0.888 0.000 . . . . . A 90 LYS HD3 . 18801 1 1084 . 1 1 90 90 LYS HE2 H 1 1.920 0.000 . . . . . A 90 LYS HE2 . 18801 1 1085 . 1 1 90 90 LYS HE3 H 1 2.128 0.000 . . . . . A 90 LYS HE3 . 18801 1 1086 . 1 1 90 90 LYS C C 13 179.565 0.000 . . . . . A 90 LYS C . 18801 1 1087 . 1 1 90 90 LYS CA C 13 51.371 0.000 . . . . . A 90 LYS CA . 18801 1 1088 . 1 1 90 90 LYS CB C 13 32.655 0.018 . . . . . A 90 LYS CB . 18801 1 1089 . 1 1 90 90 LYS CG C 13 21.714 0.032 . . . . . A 90 LYS CG . 18801 1 1090 . 1 1 90 90 LYS CD C 13 26.579 0.008 . . . . . A 90 LYS CD . 18801 1 1091 . 1 1 90 90 LYS CE C 13 38.547 0.006 . . . . . A 90 LYS CE . 18801 1 1092 . 1 1 90 90 LYS N N 15 125.284 0.037 . . . . . A 90 LYS N . 18801 1 1093 . 1 1 91 91 ARG H H 1 7.641 0.002 . . . . . A 91 ARG H . 18801 1 1094 . 1 1 91 91 ARG HA H 1 5.017 0.000 . . . . . A 91 ARG HA . 18801 1 1095 . 1 1 91 91 ARG HB2 H 1 1.977 0.000 . . . . . A 91 ARG HB2 . 18801 1 1096 . 1 1 91 91 ARG HB3 H 1 1.406 0.000 . . . . . A 91 ARG HB3 . 18801 1 1097 . 1 1 91 91 ARG HG2 H 1 1.142 0.000 . . . . . A 91 ARG HG2 . 18801 1 1098 . 1 1 91 91 ARG HG3 H 1 1.853 0.000 . . . . . A 91 ARG HG3 . 18801 1 1099 . 1 1 91 91 ARG HD2 H 1 2.771 0.000 . . . . . A 91 ARG HD2 . 18801 1 1100 . 1 1 91 91 ARG HD3 H 1 2.372 0.000 . . . . . A 91 ARG HD3 . 18801 1 1101 . 1 1 91 91 ARG C C 13 179.376 0.000 . . . . . A 91 ARG C . 18801 1 1102 . 1 1 91 91 ARG CA C 13 52.913 0.000 . . . . . A 91 ARG CA . 18801 1 1103 . 1 1 91 91 ARG CB C 13 27.562 0.002 . . . . . A 91 ARG CB . 18801 1 1104 . 1 1 91 91 ARG CG C 13 26.697 0.020 . . . . . A 91 ARG CG . 18801 1 1105 . 1 1 91 91 ARG CD C 13 40.766 0.017 . . . . . A 91 ARG CD . 18801 1 1106 . 1 1 91 91 ARG N N 15 126.331 0.034 . . . . . A 91 ARG N . 18801 1 1107 . 1 1 92 92 PHE H H 1 9.044 0.003 . . . . . A 92 PHE H . 18801 1 1108 . 1 1 92 92 PHE HA H 1 4.506 0.000 . . . . . A 92 PHE HA . 18801 1 1109 . 1 1 92 92 PHE HB2 H 1 2.351 0.000 . . . . . A 92 PHE HB2 . 18801 1 1110 . 1 1 92 92 PHE HB3 H 1 3.083 0.000 . . . . . A 92 PHE HB3 . 18801 1 1111 . 1 1 92 92 PHE HD1 H 1 7.125 0.002 . . . . . A 92 PHE HD1 . 18801 1 1112 . 1 1 92 92 PHE HD2 H 1 7.125 0.002 . . . . . A 92 PHE HD2 . 18801 1 1113 . 1 1 92 92 PHE HE1 H 1 7.012 0.002 . . . . . A 92 PHE HE1 . 18801 1 1114 . 1 1 92 92 PHE HE2 H 1 7.012 0.002 . . . . . A 92 PHE HE2 . 18801 1 1115 . 1 1 92 92 PHE HZ H 1 7.100 0.003 . . . . . A 92 PHE HZ . 18801 1 1116 . 1 1 92 92 PHE C C 13 179.492 0.000 . . . . . A 92 PHE C . 18801 1 1117 . 1 1 92 92 PHE CA C 13 56.238 0.000 . . . . . A 92 PHE CA . 18801 1 1118 . 1 1 92 92 PHE CB C 13 39.606 0.016 . . . . . A 92 PHE CB . 18801 1 1119 . 1 1 92 92 PHE N N 15 127.260 0.066 . . . . . A 92 PHE N . 18801 1 1120 . 1 1 93 93 GLY H H 1 8.052 0.002 . . . . . A 93 GLY H . 18801 1 1121 . 1 1 93 93 GLY HA2 H 1 3.640 0.000 . . . . . A 93 GLY HA2 . 18801 1 1122 . 1 1 93 93 GLY HA3 H 1 4.008 0.000 . . . . . A 93 GLY HA3 . 18801 1 1123 . 1 1 93 93 GLY CA C 13 44.283 0.008 . . . . . A 93 GLY CA . 18801 1 1124 . 1 1 93 93 GLY N N 15 115.027 0.017 . . . . . A 93 GLY N . 18801 1 stop_ save_